NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
528069 | 2lgw | 17825 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -13.330 4.097 10.010 2 H2 MET 1 HT2 MET 1 -14.135 2.865 10.851 3 H3 MET 1 HT3 MET 1 -14.353 3.033 9.177 4 HA MET 1 HA MET 1 -11.784 2.378 10.483 5 HB2 MET 1 HB2 MET 1 -13.704 0.577 8.990 6 HB3 MET 1 HB1 MET 1 -12.087 0.123 9.502 7 HG2 MET 1 HG2 MET 1 -13.502 -0.811 11.096 8 HG3 MET 1 HG1 MET 1 -12.859 0.636 11.869 9 HE1 MET 1 HE1 MET 1 -15.696 0.358 9.116 10 HE2 MET 1 HE2 MET 1 -17.123 0.246 10.148 11 HE3 MET 1 HE3 MET 1 -15.925 -1.049 10.156 12 H ALA 2 HN ALA 2 -10.314 3.382 9.245 13 HA ALA 2 HA ALA 2 -10.641 3.154 6.328 14 HB1 ALA 2 HB1 ALA 2 -9.287 5.072 6.039 15 HB2 ALA 2 HB2 ALA 2 -8.763 5.050 7.721 16 HB3 ALA 2 HB3 ALA 2 -10.431 5.468 7.322 17 H SER 3 HN SER 3 -8.305 2.929 8.951 18 HA SER 3 HA SER 3 -6.545 1.577 9.340 19 HB2 SER 3 HB2 SER 3 -7.516 0.009 6.944 20 HB3 SER 3 HB1 SER 3 -6.354 -0.551 8.149 21 HG SER 3 HG SER 3 -8.895 -0.894 8.265 22 H TYR 4 HN TYR 4 -6.829 3.395 6.592 23 HA TYR 4 HA TYR 4 -4.636 2.685 5.042 24 HB2 TYR 4 HB2 TYR 4 -6.199 4.163 4.078 25 HB3 TYR 4 HB1 TYR 4 -6.106 5.288 5.426 26 HD1 TYR 4 HD1 TYR 4 -3.825 3.793 2.862 27 HD2 TYR 4 HD2 TYR 4 -4.978 7.257 5.040 28 HE1 TYR 4 HE1 TYR 4 -2.168 5.119 1.626 29 HE2 TYR 4 HE2 TYR 4 -3.323 8.590 3.808 30 HH TYR 4 HH TYR 4 -1.808 7.508 1.013 31 H TYR 5 HN TYR 5 -4.811 4.716 7.895 32 HA TYR 5 HA TYR 5 -2.273 5.859 7.853 33 HB2 TYR 5 HB2 TYR 5 -3.921 6.570 9.466 34 HB3 TYR 5 HB1 TYR 5 -4.007 4.958 10.162 35 HD1 TYR 5 HD2 TYR 5 -1.568 7.734 9.604 36 HD2 TYR 5 HD1 TYR 5 -2.785 4.483 12.064 37 HE1 TYR 5 HE2 TYR 5 0.147 8.346 11.256 38 HE2 TYR 5 HE1 TYR 5 -1.075 5.088 13.720 39 HH TYR 5 HH TYR 5 1.070 6.291 13.790 40 H GLU 6 HN GLU 6 -3.362 2.720 9.023 41 HA GLU 6 HA GLU 6 -0.820 1.917 10.025 42 HB2 GLU 6 HB2 GLU 6 -3.315 0.355 9.386 43 HB3 GLU 6 HB1 GLU 6 -1.899 -0.322 10.181 44 HG2 GLU 6 HG2 GLU 6 -3.467 2.005 11.229 45 HG3 GLU 6 HG1 GLU 6 -3.741 0.331 11.716 46 H ILE 7 HN ILE 7 -2.640 1.323 7.052 47 HA ILE 7 HA ILE 7 -1.014 -0.867 6.259 48 HB ILE 7 HB ILE 7 -2.332 -0.920 4.204 49 HG12 ILE 7 HG12 ILE 7 -4.385 0.871 4.541 50 HG13 ILE 7 HG11 ILE 7 -2.987 1.825 5.018 51 HG21 ILE 7 HG21 ILE 7 -4.374 -1.541 5.192 52 HG22 ILE 7 HG22 ILE 7 -4.190 -0.359 6.487 53 HG23 ILE 7 HG23 ILE 7 -3.159 -1.794 6.450 54 HD11 ILE 7 HD11 ILE 7 -1.930 1.317 2.870 55 HD12 ILE 7 HD12 ILE 7 -3.474 2.148 2.686 56 HD13 ILE 7 HD13 ILE 7 -3.366 0.413 2.394 57 H LEU 8 HN LEU 8 -0.998 2.565 5.303 58 HA LEU 8 HA LEU 8 0.831 1.824 3.135 59 HB2 LEU 8 HB2 LEU 8 -1.385 3.326 2.998 60 HB3 LEU 8 HB1 LEU 8 -0.205 4.581 3.309 61 HG LEU 8 HG LEU 8 -0.548 4.421 0.951 62 HD11 LEU 8 HD11 LEU 8 1.704 3.923 0.139 63 HD12 LEU 8 HD12 LEU 8 2.086 3.156 1.679 64 HD13 LEU 8 HD13 LEU 8 1.733 4.882 1.619 65 HD21 LEU 8 HD21 LEU 8 0.123 1.497 1.226 66 HD22 LEU 8 HD22 LEU 8 -0.098 2.352 -0.300 67 HD23 LEU 8 HD23 LEU 8 -1.450 2.186 0.818 68 H ASP 9 HN ASP 9 0.765 5.090 4.120 69 HA ASP 9 HA ASP 9 3.408 4.866 5.355 70 HB2 ASP 9 HB2 ASP 9 3.659 5.084 2.857 71 HB3 ASP 9 HB1 ASP 9 2.879 6.657 2.977 72 H VAL 10 HN VAL 10 0.627 6.831 4.516 73 HA VAL 10 HA VAL 10 1.241 8.530 6.843 74 HB VAL 10 HB VAL 10 0.264 10.480 5.652 75 HG11 VAL 10 HG11 VAL 10 2.680 10.193 5.783 76 HG12 VAL 10 HG12 VAL 10 2.221 10.938 4.251 77 HG13 VAL 10 HG13 VAL 10 2.658 9.229 4.307 78 HG21 VAL 10 HG21 VAL 10 0.406 8.690 3.231 79 HG22 VAL 10 HG22 VAL 10 0.036 10.414 3.221 80 HG23 VAL 10 HG23 VAL 10 -1.067 9.280 4.001 81 HA PRO 11 HA PRO 11 -2.955 8.041 8.290 82 HB2 PRO 11 HB2 PRO 11 -3.615 10.677 8.793 83 HB3 PRO 11 HB1 PRO 11 -2.711 9.635 9.901 84 HG2 PRO 11 HG2 PRO 11 -1.721 11.700 7.989 85 HG3 PRO 11 HG1 PRO 11 -1.148 11.317 9.623 86 HD2 PRO 11 HD2 PRO 11 0.185 10.511 7.442 87 HD3 PRO 11 HD1 PRO 11 0.086 9.500 8.899 88 H ARG 12 HN ARG 12 -5.187 8.484 7.767 89 HA ARG 12 HA ARG 12 -5.552 9.323 5.041 90 HB2 ARG 12 HB2 ARG 12 -7.804 8.603 5.177 91 HB3 ARG 12 HB1 ARG 12 -6.855 7.407 6.037 92 HG2 ARG 12 HG2 ARG 12 -8.215 9.616 7.519 93 HG3 ARG 12 HG1 ARG 12 -9.118 8.191 7.002 94 HD2 ARG 12 HD2 ARG 12 -8.480 7.412 9.023 95 HD3 ARG 12 HD1 ARG 12 -7.009 6.996 8.149 96 HE ARG 12 HE ARG 12 -6.574 9.540 9.071 97 HH11 ARG 12 HH11 ARG 12 -7.510 6.513 10.544 98 HH12 ARG 12 HH12 ARG 12 -6.712 6.833 12.051 99 HH21 ARG 12 HH21 ARG 12 -5.539 10.002 11.061 100 HH22 ARG 12 HH22 ARG 12 -5.606 8.840 12.354 101 H SER 13 HN SER 13 -5.517 11.319 4.589 102 HA SER 13 HA SER 13 -7.192 13.330 5.580 103 HB2 SER 13 HB2 SER 13 -5.683 13.072 7.596 104 HB3 SER 13 HB1 SER 13 -4.328 13.541 6.572 105 HG SER 13 HG SER 13 -6.225 15.367 6.253 106 H ALA 14 HN ALA 14 -4.061 12.457 4.276 107 HA ALA 14 HA ALA 14 -3.854 14.598 2.433 108 HB1 ALA 14 HB1 ALA 14 -1.925 13.315 3.183 109 HB2 ALA 14 HB2 ALA 14 -2.101 13.206 1.437 110 HB3 ALA 14 HB3 ALA 14 -2.593 11.857 2.450 111 H SER 15 HN SER 15 -4.319 14.613 0.223 112 HA SER 15 HA SER 15 -6.707 13.261 -0.526 113 HB2 SER 15 HB2 SER 15 -6.117 15.528 -1.332 114 HB3 SER 15 HB1 SER 15 -4.789 14.837 -2.262 115 HG SER 15 HG SER 15 -6.235 14.628 -3.773 116 H ALA 16 HN ALA 16 -6.909 12.078 -2.621 117 HA ALA 16 HA ALA 16 -5.644 9.629 -2.520 118 HB1 ALA 16 HB1 ALA 16 -6.585 9.179 -4.706 119 HB2 ALA 16 HB2 ALA 16 -6.857 10.901 -4.955 120 HB3 ALA 16 HB3 ALA 16 -7.747 10.045 -3.700 121 H ASP 17 HN ASP 17 -4.635 12.521 -4.151 122 HA ASP 17 HA ASP 17 -2.735 11.532 -5.940 123 HB2 ASP 17 HB2 ASP 17 -2.519 14.070 -4.313 124 HB3 ASP 17 HB1 ASP 17 -1.751 13.741 -5.859 125 H ASP 18 HN ASP 18 -2.470 12.431 -2.552 126 HA ASP 18 HA ASP 18 0.324 11.982 -2.309 127 HB2 ASP 18 HB2 ASP 18 -1.308 13.328 -0.778 128 HB3 ASP 18 HB1 ASP 18 -1.574 11.765 -0.006 129 H ILE 19 HN ILE 19 -2.543 10.020 -1.792 130 HA ILE 19 HA ILE 19 -1.396 7.785 -0.582 131 HB ILE 19 HB ILE 19 -3.774 8.106 -2.376 132 HG12 ILE 19 HG12 ILE 19 -4.845 7.075 -0.271 133 HG13 ILE 19 HG11 ILE 19 -3.308 7.432 0.507 134 HG21 ILE 19 HG21 ILE 19 -2.806 5.944 -3.001 135 HG22 ILE 19 HG22 ILE 19 -4.343 5.762 -2.160 136 HG23 ILE 19 HG23 ILE 19 -2.831 5.450 -1.308 137 HD11 ILE 19 HD11 ILE 19 -5.400 9.271 -0.501 138 HD12 ILE 19 HD12 ILE 19 -3.719 9.797 -0.515 139 HD13 ILE 19 HD13 ILE 19 -4.480 9.316 1.006 140 H LYS 20 HN LYS 20 -1.781 8.487 -4.057 141 HA LYS 20 HA LYS 20 -0.468 6.143 -4.955 142 HB2 LYS 20 HB2 LYS 20 -1.927 7.497 -6.407 143 HB3 LYS 20 HB1 LYS 20 -0.771 8.819 -6.338 144 HG2 LYS 20 HG2 LYS 20 0.899 7.389 -7.444 145 HG3 LYS 20 HG1 LYS 20 -0.305 6.105 -7.561 146 HD2 LYS 20 HD2 LYS 20 -0.634 8.855 -8.752 147 HD3 LYS 20 HD1 LYS 20 -0.034 7.457 -9.642 148 HE2 LYS 20 HE2 LYS 20 -2.713 7.564 -8.267 149 HE3 LYS 20 HE1 LYS 20 -2.462 7.935 -9.971 150 HZ1 LYS 20 HZ1 LYS 20 -1.751 5.333 -8.725 151 HZ2 LYS 20 HZ2 LYS 20 -1.739 5.711 -10.371 152 HZ3 LYS 20 HZ3 LYS 20 -3.210 5.627 -9.533 153 H LYS 21 HN LYS 21 0.638 9.382 -4.149 154 HA LYS 21 HA LYS 21 3.302 9.041 -5.042 155 HB2 LYS 21 HB2 LYS 21 1.787 11.166 -4.206 156 HB3 LYS 21 HB1 LYS 21 2.882 10.947 -2.846 157 HG2 LYS 21 HG2 LYS 21 3.809 11.174 -5.695 158 HG3 LYS 21 HG1 LYS 21 3.652 12.552 -4.603 159 HD2 LYS 21 HD2 LYS 21 5.429 11.904 -3.314 160 HD3 LYS 21 HD1 LYS 21 5.202 10.191 -3.677 161 HE2 LYS 21 HE2 LYS 21 6.199 10.384 -5.775 162 HE3 LYS 21 HE1 LYS 21 6.081 12.145 -5.772 163 HZ1 LYS 21 HZ1 LYS 21 8.348 11.242 -5.346 164 HZ2 LYS 21 HZ2 LYS 21 7.788 10.624 -3.874 165 HZ3 LYS 21 HZ3 LYS 21 7.778 12.295 -4.148 166 H ALA 22 HN ALA 22 1.672 8.502 -1.955 167 HA ALA 22 HA ALA 22 3.961 7.945 -0.414 168 HB1 ALA 22 HB1 ALA 22 2.492 6.969 1.198 169 HB2 ALA 22 HB2 ALA 22 1.225 6.728 0.000 170 HB3 ALA 22 HB3 ALA 22 1.668 8.360 0.497 171 H TYR 23 HN TYR 23 1.975 5.938 -2.507 172 HA TYR 23 HA TYR 23 3.283 3.493 -2.010 173 HB2 TYR 23 HB2 TYR 23 1.329 3.164 -3.168 174 HB3 TYR 23 HB1 TYR 23 1.549 4.591 -4.177 175 HD1 TYR 23 HD2 TYR 23 2.711 1.099 -3.681 176 HD2 TYR 23 HD1 TYR 23 2.429 4.396 -6.348 177 HE1 TYR 23 HE2 TYR 23 3.493 -0.333 -5.520 178 HE2 TYR 23 HE1 TYR 23 3.205 2.976 -8.199 179 HH TYR 23 HH TYR 23 4.528 0.890 -8.497 180 H ARG 24 HN ARG 24 3.849 6.031 -4.429 181 HA ARG 24 HA ARG 24 6.004 4.732 -5.691 182 HB2 ARG 24 HB2 ARG 24 5.325 7.679 -5.576 183 HB3 ARG 24 HB1 ARG 24 6.562 6.977 -6.611 184 HG2 ARG 24 HG2 ARG 24 4.895 5.677 -7.776 185 HG3 ARG 24 HG1 ARG 24 3.638 6.283 -6.693 186 HD2 ARG 24 HD2 ARG 24 3.543 7.562 -8.717 187 HD3 ARG 24 HD1 ARG 24 4.209 8.582 -7.437 188 HE ARG 24 HE ARG 24 6.392 7.463 -8.674 189 HH11 ARG 24 HH11 ARG 24 3.675 9.417 -9.718 190 HH12 ARG 24 HH12 ARG 24 4.577 10.241 -10.956 191 HH21 ARG 24 HH21 ARG 24 7.588 8.562 -10.278 192 HH22 ARG 24 HH22 ARG 24 6.803 9.754 -11.270 193 H ARG 25 HN ARG 25 5.917 7.102 -3.043 194 HA ARG 25 HA ARG 25 8.720 7.441 -2.931 195 HB2 ARG 25 HB2 ARG 25 8.393 8.619 -0.886 196 HB3 ARG 25 HB1 ARG 25 7.005 8.990 -1.896 197 HG2 ARG 25 HG2 ARG 25 5.635 7.444 -0.644 198 HG3 ARG 25 HG1 ARG 25 7.030 6.943 0.311 199 HD2 ARG 25 HD2 ARG 25 5.842 8.462 1.663 200 HD3 ARG 25 HD1 ARG 25 7.230 9.353 1.046 201 HE ARG 25 HE ARG 25 5.687 10.389 -0.569 202 HH11 ARG 25 HH11 ARG 25 4.411 8.937 2.369 203 HH12 ARG 25 HH12 ARG 25 2.931 9.851 2.313 204 HH21 ARG 25 HH21 ARG 25 3.733 11.610 -0.611 205 HH22 ARG 25 HH22 ARG 25 2.529 11.346 0.621 206 H LYS 26 HN LYS 26 6.529 5.221 -1.286 207 HA LYS 26 HA LYS 26 8.539 4.052 0.346 208 HB2 LYS 26 HB2 LYS 26 6.164 3.972 0.914 209 HB3 LYS 26 HB1 LYS 26 5.842 3.009 -0.521 210 HG2 LYS 26 HG2 LYS 26 7.057 1.169 0.348 211 HG3 LYS 26 HG1 LYS 26 7.652 2.128 1.709 212 HD2 LYS 26 HD2 LYS 26 4.757 1.522 1.158 213 HD3 LYS 26 HD1 LYS 26 5.760 0.635 2.314 214 HE2 LYS 26 HE2 LYS 26 5.072 3.576 2.415 215 HE3 LYS 26 HE1 LYS 26 4.407 2.316 3.452 216 HZ1 LYS 26 HZ1 LYS 26 6.189 3.600 4.521 217 HZ2 LYS 26 HZ2 LYS 26 7.279 3.066 3.343 218 HZ3 LYS 26 HZ3 LYS 26 6.571 1.953 4.402 219 H ALA 27 HN ALA 27 7.149 3.304 -2.793 220 HA ALA 27 HA ALA 27 8.396 0.907 -3.371 221 HB1 ALA 27 HB1 ALA 27 8.061 3.147 -5.357 222 HB2 ALA 27 HB2 ALA 27 6.733 2.134 -4.800 223 HB3 ALA 27 HB3 ALA 27 8.083 1.412 -5.676 224 H LEU 28 HN LEU 28 9.683 4.203 -3.803 225 HA LEU 28 HA LEU 28 12.258 3.319 -4.676 226 HB2 LEU 28 HB2 LEU 28 11.084 5.916 -3.820 227 HB3 LEU 28 HB1 LEU 28 12.832 5.773 -3.843 228 HG LEU 28 HG LEU 28 12.651 5.088 -6.258 229 HD11 LEU 28 HD11 LEU 28 9.862 6.178 -6.127 230 HD12 LEU 28 HD12 LEU 28 10.199 4.458 -5.976 231 HD13 LEU 28 HD13 LEU 28 10.651 5.315 -7.451 232 HD21 LEU 28 HD21 LEU 28 11.578 7.798 -5.489 233 HD22 LEU 28 HD22 LEU 28 12.251 7.374 -7.063 234 HD23 LEU 28 HD23 LEU 28 13.277 7.348 -5.628 235 H GLN 29 HN GLN 29 10.833 4.067 -1.592 236 HA GLN 29 HA GLN 29 13.125 4.156 0.020 237 HB2 GLN 29 HB2 GLN 29 11.021 4.955 0.831 238 HB3 GLN 29 HB1 GLN 29 10.257 3.398 0.571 239 HG2 GLN 29 HG2 GLN 29 11.645 2.445 2.360 240 HG3 GLN 29 HG1 GLN 29 12.345 4.041 2.639 241 HE21 GLN 29 HE21 GLN 29 11.096 5.637 3.593 242 HE22 GLN 29 HE22 GLN 29 9.599 5.299 4.397 243 H TRP 30 HN TRP 30 11.156 1.439 -1.090 244 HA TRP 30 HA TRP 30 13.076 -0.399 0.182 245 HB2 TRP 30 HB2 TRP 30 10.204 -0.873 -0.635 246 HB3 TRP 30 HB1 TRP 30 11.293 -2.133 -0.055 247 HD1 TRP 30 HD1 TRP 30 9.177 0.778 1.149 248 HE1 TRP 30 HE1 TRP 30 9.117 0.764 3.723 249 HE3 TRP 30 HE3 TRP 30 12.714 -2.804 2.021 250 HZ2 TRP 30 HZ2 TRP 30 10.397 -0.589 5.840 251 HZ3 TRP 30 HZ3 TRP 30 13.239 -3.404 4.350 252 HH2 TRP 30 HH2 TRP 30 12.103 -2.317 6.217 253 H HIS 31 HN HIS 31 13.106 1.058 -2.466 254 HA HIS 31 HA HIS 31 12.925 -0.936 -4.507 255 HB2 HIS 31 HB2 HIS 31 12.820 1.649 -4.723 256 HB3 HIS 31 HB1 HIS 31 14.575 1.594 -4.646 257 HD1 HIS 31 HD1 HIS 31 11.701 0.438 -6.818 258 HD2 HIS 31 HD2 HIS 31 15.818 0.993 -7.015 259 HE1 HIS 31 HE1 HIS 31 12.317 0.092 -9.228 260 HE2 HIS 31 HE2 HIS 31 14.837 0.214 -9.274 261 HA PRO 32 HA PRO 32 16.502 -3.342 -3.845 262 HB2 PRO 32 HB2 PRO 32 17.463 -3.526 -6.450 263 HB3 PRO 32 HB1 PRO 32 16.218 -4.554 -5.735 264 HG2 PRO 32 HG2 PRO 32 15.914 -2.116 -7.438 265 HG3 PRO 32 HG1 PRO 32 15.006 -3.636 -7.487 266 HD2 PRO 32 HD2 PRO 32 13.932 -1.495 -6.361 267 HD3 PRO 32 HD1 PRO 32 13.755 -3.085 -5.584 268 H ASP 33 HN ASP 33 16.946 -0.421 -5.750 269 HA ASP 33 HA ASP 33 19.779 -0.335 -5.578 270 HB2 ASP 33 HB2 ASP 33 19.634 1.837 -6.456 271 HB3 ASP 33 HB1 ASP 33 18.196 1.050 -7.098 272 H LYS 34 HN LYS 34 17.233 0.373 -3.378 273 HA LYS 34 HA LYS 34 19.039 1.840 -1.584 274 HB2 LYS 34 HB2 LYS 34 16.558 2.536 -2.485 275 HB3 LYS 34 HB1 LYS 34 16.161 1.758 -0.961 276 HG2 LYS 34 HG2 LYS 34 16.395 4.054 -0.502 277 HG3 LYS 34 HG1 LYS 34 17.849 3.273 0.127 278 HD2 LYS 34 HD2 LYS 34 18.786 5.050 -0.981 279 HD3 LYS 34 HD1 LYS 34 18.784 3.838 -2.264 280 HE2 LYS 34 HE2 LYS 34 16.622 5.905 -1.867 281 HE3 LYS 34 HE1 LYS 34 17.976 6.090 -2.976 282 HZ1 LYS 34 HZ1 LYS 34 16.029 5.339 -4.145 283 HZ2 LYS 34 HZ2 LYS 34 15.870 3.998 -3.121 284 HZ3 LYS 34 HZ3 LYS 34 17.201 4.111 -4.167 285 H ASN 35 HN ASN 35 18.102 -1.237 -2.046 286 HA ASN 35 HA ASN 35 17.533 -1.770 0.785 287 HB2 ASN 35 HB2 ASN 35 16.199 -3.505 0.167 288 HB3 ASN 35 HB1 ASN 35 16.126 -2.640 -1.364 289 HD21 ASN 35 HD21 ASN 35 17.213 -5.443 0.290 290 HD22 ASN 35 HD22 ASN 35 17.869 -6.269 -1.082 291 HA PRO 36 HA PRO 36 21.566 -3.566 1.087 292 HB2 PRO 36 HB2 PRO 36 21.459 -4.373 3.616 293 HB3 PRO 36 HB1 PRO 36 21.353 -2.653 3.217 294 HG2 PRO 36 HG2 PRO 36 19.176 -4.575 3.931 295 HG3 PRO 36 HG1 PRO 36 19.397 -2.893 4.450 296 HD2 PRO 36 HD2 PRO 36 17.725 -3.726 2.391 297 HD3 PRO 36 HD1 PRO 36 18.345 -2.076 2.596 298 H ASP 37 HN ASP 37 21.001 -5.803 3.390 299 HA ASP 37 HA ASP 37 21.261 -7.984 1.491 300 HB2 ASP 37 HB2 ASP 37 21.473 -7.866 4.494 301 HB3 ASP 37 HB1 ASP 37 21.629 -9.358 3.578 302 H ASN 38 HN ASN 38 18.749 -6.459 3.026 303 HA ASN 38 HA ASN 38 17.117 -8.890 3.167 304 HB2 ASN 38 HB2 ASN 38 16.685 -6.127 4.318 305 HB3 ASN 38 HB1 ASN 38 15.447 -7.375 4.323 306 HD21 ASN 38 HD21 ASN 38 18.376 -6.251 5.753 307 HD22 ASN 38 HD22 ASN 38 18.468 -7.438 7.011 308 H LYS 39 HN LYS 39 16.346 -9.324 1.195 309 HA LYS 39 HA LYS 39 15.333 -7.121 -0.459 310 HB2 LYS 39 HB2 LYS 39 15.712 -10.043 -1.153 311 HB3 LYS 39 HB1 LYS 39 15.199 -8.790 -2.268 312 HG2 LYS 39 HG2 LYS 39 17.440 -9.112 -2.766 313 HG3 LYS 39 HG1 LYS 39 17.445 -7.673 -1.746 314 HD2 LYS 39 HD2 LYS 39 18.164 -8.942 0.151 315 HD3 LYS 39 HD1 LYS 39 17.938 -10.463 -0.715 316 HE2 LYS 39 HE2 LYS 39 19.912 -8.316 -1.467 317 HE3 LYS 39 HE1 LYS 39 20.304 -9.777 -0.563 318 HZ1 LYS 39 HZ1 LYS 39 19.244 -9.676 -3.338 319 HZ2 LYS 39 HZ2 LYS 39 19.562 -11.093 -2.468 320 HZ3 LYS 39 HZ3 LYS 39 20.833 -10.050 -2.887 321 H GLU 40 HN GLU 40 14.380 -9.924 1.332 322 HA GLU 40 HA GLU 40 11.857 -10.389 0.198 323 HB2 GLU 40 HB2 GLU 40 13.164 -11.902 1.752 324 HB3 GLU 40 HB1 GLU 40 12.640 -10.878 3.077 325 HG2 GLU 40 HG2 GLU 40 10.691 -12.243 1.250 326 HG3 GLU 40 HG1 GLU 40 11.359 -13.032 2.675 327 H PHE 41 HN PHE 41 12.824 -8.412 2.970 328 HA PHE 41 HA PHE 41 10.231 -7.531 3.619 329 HB2 PHE 41 HB2 PHE 41 12.912 -6.256 4.179 330 HB3 PHE 41 HB1 PHE 41 11.389 -5.769 4.920 331 HD1 PHE 41 HD1 PHE 41 10.091 -7.589 6.184 332 HD2 PHE 41 HD2 PHE 41 14.210 -7.893 5.177 333 HE1 PHE 41 HE1 PHE 41 10.386 -9.292 7.926 334 HE2 PHE 41 HE2 PHE 41 14.514 -9.598 6.924 335 HZ PHE 41 HZ PHE 41 12.599 -10.300 8.301 336 H ALA 42 HN ALA 42 12.680 -6.279 1.430 337 HA ALA 42 HA ALA 42 11.442 -3.764 0.992 338 HB1 ALA 42 HB1 ALA 42 13.461 -5.324 -0.608 339 HB2 ALA 42 HB2 ALA 42 13.755 -3.966 0.480 340 HB3 ALA 42 HB3 ALA 42 12.915 -3.707 -1.046 341 H GLU 43 HN GLU 43 11.400 -6.827 -0.835 342 HA GLU 43 HA GLU 43 9.591 -5.828 -2.789 343 HB2 GLU 43 HB2 GLU 43 9.324 -8.152 -3.516 344 HB3 GLU 43 HB1 GLU 43 11.012 -7.704 -3.342 345 HG2 GLU 43 HG2 GLU 43 11.127 -8.891 -1.226 346 HG3 GLU 43 HG1 GLU 43 9.418 -9.309 -1.362 347 H LYS 44 HN LYS 44 9.203 -7.509 0.277 348 HA LYS 44 HA LYS 44 6.490 -8.160 0.103 349 HB2 LYS 44 HB2 LYS 44 7.893 -9.042 1.835 350 HB3 LYS 44 HB1 LYS 44 8.294 -7.433 2.406 351 HG2 LYS 44 HG2 LYS 44 5.644 -7.366 2.752 352 HG3 LYS 44 HG1 LYS 44 5.932 -9.103 2.940 353 HD2 LYS 44 HD2 LYS 44 7.463 -6.950 4.366 354 HD3 LYS 44 HD1 LYS 44 6.093 -7.820 5.071 355 HE2 LYS 44 HE2 LYS 44 8.733 -8.989 4.179 356 HE3 LYS 44 HE1 LYS 44 8.192 -8.766 5.842 357 HZ1 LYS 44 HZ1 LYS 44 6.314 -10.304 5.289 358 HZ2 LYS 44 HZ2 LYS 44 7.850 -11.019 5.297 359 HZ3 LYS 44 HZ3 LYS 44 7.104 -10.641 3.826 360 H LYS 45 HN LYS 45 8.143 -5.226 1.226 361 HA LYS 45 HA LYS 45 5.773 -3.852 1.961 362 HB2 LYS 45 HB2 LYS 45 8.594 -2.972 1.437 363 HB3 LYS 45 HB1 LYS 45 7.317 -1.801 1.751 364 HG2 LYS 45 HG2 LYS 45 8.263 -3.999 3.568 365 HG3 LYS 45 HG1 LYS 45 8.418 -2.258 3.813 366 HD2 LYS 45 HD2 LYS 45 5.954 -2.095 3.857 367 HD3 LYS 45 HD1 LYS 45 5.873 -3.842 3.710 368 HE2 LYS 45 HE2 LYS 45 6.975 -4.123 5.827 369 HE3 LYS 45 HE1 LYS 45 7.207 -2.381 5.977 370 HZ1 LYS 45 HZ1 LYS 45 4.502 -3.518 5.660 371 HZ2 LYS 45 HZ2 LYS 45 4.963 -2.031 6.342 372 HZ3 LYS 45 HZ3 LYS 45 5.240 -3.474 7.186 373 H PHE 46 HN PHE 46 7.723 -3.955 -0.963 374 HA PHE 46 HA PHE 46 6.351 -1.956 -2.396 375 HB2 PHE 46 HB2 PHE 46 8.513 -2.842 -3.130 376 HB3 PHE 46 HB1 PHE 46 7.787 -4.420 -3.415 377 HD1 PHE 46 HD2 PHE 46 7.589 -0.867 -4.485 378 HD2 PHE 46 HD1 PHE 46 6.933 -4.945 -5.510 379 HE1 PHE 46 HE2 PHE 46 7.065 -0.200 -6.793 380 HE2 PHE 46 HE1 PHE 46 6.406 -4.284 -7.821 381 HZ PHE 46 HZ PHE 46 6.471 -1.909 -8.463 382 H LYS 47 HN LYS 47 5.798 -5.426 -2.071 383 HA LYS 47 HA LYS 47 3.675 -5.558 -3.936 384 HB2 LYS 47 HB2 LYS 47 4.610 -7.386 -1.742 385 HB3 LYS 47 HB1 LYS 47 3.168 -7.747 -2.681 386 HG2 LYS 47 HG2 LYS 47 4.453 -7.772 -4.723 387 HG3 LYS 47 HG1 LYS 47 5.906 -7.298 -3.845 388 HD2 LYS 47 HD2 LYS 47 4.389 -9.793 -3.154 389 HD3 LYS 47 HD1 LYS 47 5.606 -9.780 -4.432 390 HE2 LYS 47 HE2 LYS 47 7.244 -8.907 -2.771 391 HE3 LYS 47 HE1 LYS 47 6.015 -9.100 -1.523 392 HZ1 LYS 47 HZ1 LYS 47 7.589 -10.973 -1.638 393 HZ2 LYS 47 HZ2 LYS 47 7.050 -11.314 -3.211 394 HZ3 LYS 47 HZ3 LYS 47 5.984 -11.451 -1.900 395 H GLU 48 HN GLU 48 3.722 -5.181 -0.396 396 HA GLU 48 HA GLU 48 0.883 -5.317 -0.197 397 HB2 GLU 48 HB2 GLU 48 1.157 -4.620 2.130 398 HB3 GLU 48 HB1 GLU 48 2.253 -5.926 1.708 399 HG2 GLU 48 HG2 GLU 48 4.083 -4.338 1.508 400 HG3 GLU 48 HG1 GLU 48 2.986 -3.016 1.912 401 H VAL 49 HN VAL 49 3.162 -2.597 -0.465 402 HA VAL 49 HA VAL 49 1.173 -0.622 -0.006 403 HB VAL 49 HB VAL 49 3.522 0.006 0.152 404 HG11 VAL 49 HG11 VAL 49 3.677 -0.283 -2.845 405 HG12 VAL 49 HG12 VAL 49 4.350 -1.442 -1.701 406 HG13 VAL 49 HG13 VAL 49 4.972 0.208 -1.751 407 HG21 VAL 49 HG21 VAL 49 3.382 2.123 -0.841 408 HG22 VAL 49 HG22 VAL 49 1.713 1.644 -0.531 409 HG23 VAL 49 HG23 VAL 49 2.373 1.526 -2.156 410 H ALA 50 HN ALA 50 2.298 -2.295 -2.896 411 HA ALA 50 HA ALA 50 0.915 -0.769 -4.784 412 HB1 ALA 50 HB1 ALA 50 1.155 -2.672 -6.277 413 HB2 ALA 50 HB2 ALA 50 1.628 -3.660 -4.904 414 HB3 ALA 50 HB3 ALA 50 2.653 -2.327 -5.411 415 H GLU 51 HN GLU 51 -0.104 -3.664 -2.981 416 HA GLU 51 HA GLU 51 -2.637 -3.801 -4.291 417 HB2 GLU 51 HB2 GLU 51 -3.215 -5.494 -2.640 418 HB3 GLU 51 HB1 GLU 51 -1.611 -5.790 -3.295 419 HG2 GLU 51 HG2 GLU 51 -0.595 -4.892 -1.297 420 HG3 GLU 51 HG1 GLU 51 -2.175 -4.463 -0.654 421 H ALA 52 HN ALA 52 -1.484 -2.422 -1.275 422 HA ALA 52 HA ALA 52 -4.067 -1.896 -0.208 423 HB1 ALA 52 HB1 ALA 52 -1.938 -2.227 1.079 424 HB2 ALA 52 HB2 ALA 52 -2.930 -0.853 1.584 425 HB3 ALA 52 HB3 ALA 52 -1.486 -0.586 0.603 426 H TYR 53 HN TYR 53 -1.670 0.064 -1.919 427 HA TYR 53 HA TYR 53 -3.204 2.456 -1.835 428 HB2 TYR 53 HB2 TYR 53 -1.254 3.267 -2.573 429 HB3 TYR 53 HB1 TYR 53 -0.649 1.637 -2.828 430 HD1 TYR 53 HD2 TYR 53 -2.166 4.571 -4.413 431 HD2 TYR 53 HD1 TYR 53 -0.632 0.655 -5.054 432 HE1 TYR 53 HE2 TYR 53 -2.103 4.999 -6.831 433 HE2 TYR 53 HE1 TYR 53 -0.566 1.074 -7.477 434 HH TYR 53 HH TYR 53 -1.741 2.559 -9.115 435 H GLU 54 HN GLU 54 -3.044 -0.317 -3.951 436 HA GLU 54 HA GLU 54 -4.511 0.649 -6.127 437 HB2 GLU 54 HB2 GLU 54 -3.259 -1.473 -6.141 438 HB3 GLU 54 HB1 GLU 54 -4.416 -2.161 -5.013 439 HG2 GLU 54 HG2 GLU 54 -6.188 -1.808 -6.732 440 HG3 GLU 54 HG1 GLU 54 -4.920 -1.321 -7.856 441 H VAL 55 HN VAL 55 -5.626 -1.114 -3.224 442 HA VAL 55 HA VAL 55 -8.344 -1.059 -4.013 443 HB VAL 55 HB VAL 55 -8.821 -1.546 -1.548 444 HG11 VAL 55 HG11 VAL 55 -7.144 -3.335 -3.283 445 HG12 VAL 55 HG12 VAL 55 -8.901 -3.309 -3.100 446 HG13 VAL 55 HG13 VAL 55 -7.884 -3.876 -1.776 447 HG21 VAL 55 HG21 VAL 55 -6.770 -0.640 -0.606 448 HG22 VAL 55 HG22 VAL 55 -5.821 -1.826 -1.500 449 HG23 VAL 55 HG23 VAL 55 -6.925 -2.356 -0.233 450 H LEU 56 HN LEU 56 -6.438 1.114 -1.937 451 HA LEU 56 HA LEU 56 -8.773 2.493 -1.053 452 HB2 LEU 56 HB2 LEU 56 -6.677 2.451 0.255 453 HB3 LEU 56 HB1 LEU 56 -5.918 3.448 -0.974 454 HG LEU 56 HG LEU 56 -7.692 5.189 -0.503 455 HD11 LEU 56 HD11 LEU 56 -8.860 5.066 1.623 456 HD12 LEU 56 HD12 LEU 56 -8.183 3.466 1.915 457 HD13 LEU 56 HD13 LEU 56 -9.308 3.715 0.581 458 HD21 LEU 56 HD21 LEU 56 -5.366 5.273 0.362 459 HD22 LEU 56 HD22 LEU 56 -5.954 4.515 1.842 460 HD23 LEU 56 HD23 LEU 56 -6.551 6.103 1.369 461 H SER 57 HN SER 57 -6.658 2.869 -3.793 462 HA SER 57 HA SER 57 -7.475 5.572 -4.327 463 HB2 SER 57 HB2 SER 57 -5.262 4.733 -5.041 464 HB3 SER 57 HB1 SER 57 -6.047 3.579 -6.117 465 HG SER 57 HG SER 57 -6.985 6.060 -6.584 466 H ASP 58 HN ASP 58 -8.708 2.433 -5.000 467 HA ASP 58 HA ASP 58 -10.577 3.594 -6.967 468 HB2 ASP 58 HB2 ASP 58 -9.093 1.706 -7.773 469 HB3 ASP 58 HB1 ASP 58 -9.948 0.657 -6.646 470 H LYS 59 HN LYS 59 -12.623 3.735 -6.365 471 HA LYS 59 HA LYS 59 -13.224 3.330 -3.629 472 HB2 LYS 59 HB2 LYS 59 -15.144 4.037 -5.853 473 HB3 LYS 59 HB1 LYS 59 -15.389 4.292 -4.131 474 HG2 LYS 59 HG2 LYS 59 -14.725 6.380 -4.647 475 HG3 LYS 59 HG1 LYS 59 -13.118 5.676 -4.459 476 HD2 LYS 59 HD2 LYS 59 -13.125 5.214 -6.926 477 HD3 LYS 59 HD1 LYS 59 -14.633 6.120 -7.030 478 HE2 LYS 59 HE2 LYS 59 -12.832 7.582 -7.619 479 HE3 LYS 59 HE1 LYS 59 -13.468 8.077 -6.052 480 HZ1 LYS 59 HZ1 LYS 59 -11.113 8.131 -5.944 481 HZ2 LYS 59 HZ2 LYS 59 -10.966 6.569 -6.581 482 HZ3 LYS 59 HZ3 LYS 59 -11.610 6.791 -5.027 483 H HIS 60 HN HIS 60 -14.050 1.640 -6.580 484 HA HIS 60 HA HIS 60 -15.963 -0.103 -5.391 485 HB2 HIS 60 HB2 HIS 60 -15.813 0.309 -7.842 486 HB3 HIS 60 HB1 HIS 60 -14.303 -0.595 -7.870 487 HD1 HIS 60 HD1 HIS 60 -14.546 -2.992 -8.445 488 HD2 HIS 60 HD2 HIS 60 -18.043 -1.429 -6.818 489 HE1 HIS 60 HE1 HIS 60 -16.232 -4.852 -8.549 490 HE2 HIS 60 HE2 HIS 60 -18.282 -3.946 -7.397 491 H LYS 61 HN LYS 61 -12.479 -0.378 -6.039 492 HA LYS 61 HA LYS 61 -12.155 -3.013 -5.185 493 HB2 LYS 61 HB2 LYS 61 -10.167 -0.764 -4.938 494 HB3 LYS 61 HB1 LYS 61 -9.797 -2.481 -4.897 495 HG2 LYS 61 HG2 LYS 61 -11.183 -2.165 -7.259 496 HG3 LYS 61 HG1 LYS 61 -10.182 -0.715 -7.156 497 HD2 LYS 61 HD2 LYS 61 -8.964 -2.439 -8.320 498 HD3 LYS 61 HD1 LYS 61 -8.214 -2.166 -6.744 499 HE2 LYS 61 HE2 LYS 61 -9.151 -4.134 -5.847 500 HE3 LYS 61 HE1 LYS 61 -10.269 -4.303 -7.201 501 HZ1 LYS 61 HZ1 LYS 61 -8.444 -5.870 -7.374 502 HZ2 LYS 61 HZ2 LYS 61 -7.308 -4.604 -7.325 503 HZ3 LYS 61 HZ3 LYS 61 -8.367 -4.747 -8.645 504 H ARG 62 HN ARG 62 -12.366 -0.029 -3.316 505 HA ARG 62 HA ARG 62 -11.322 -1.001 -0.900 506 HB2 ARG 62 HB2 ARG 62 -13.582 0.992 -1.146 507 HB3 ARG 62 HB1 ARG 62 -12.500 0.793 0.220 508 HG2 ARG 62 HG2 ARG 62 -10.670 1.375 -1.577 509 HG3 ARG 62 HG1 ARG 62 -12.048 2.126 -2.388 510 HD2 ARG 62 HD2 ARG 62 -10.923 2.730 0.332 511 HD3 ARG 62 HD1 ARG 62 -11.077 3.814 -1.049 512 HE ARG 62 HE ARG 62 -13.443 3.916 -0.652 513 HH11 ARG 62 HH11 ARG 62 -11.599 2.281 1.845 514 HH12 ARG 62 HH12 ARG 62 -12.817 2.483 3.064 515 HH21 ARG 62 HH21 ARG 62 -15.035 4.221 0.972 516 HH22 ARG 62 HH22 ARG 62 -14.765 3.585 2.569 517 H GLU 63 HN GLU 63 -14.640 -0.990 -2.148 518 HA GLU 63 HA GLU 63 -15.708 -2.144 0.224 519 HB2 GLU 63 HB2 GLU 63 -17.805 -2.291 -0.957 520 HB3 GLU 63 HB1 GLU 63 -17.062 -0.731 -1.269 521 HG2 GLU 63 HG2 GLU 63 -16.334 -1.488 -3.449 522 HG3 GLU 63 HG1 GLU 63 -17.011 -3.086 -3.136 523 H ILE 64 HN ILE 64 -14.443 -3.412 -2.782 524 HA ILE 64 HA ILE 64 -15.366 -6.071 -2.506 525 HB ILE 64 HB ILE 64 -12.806 -5.073 -3.784 526 HG12 ILE 64 HG12 ILE 64 -14.837 -4.121 -4.800 527 HG13 ILE 64 HG11 ILE 64 -14.030 -5.235 -5.898 528 HG21 ILE 64 HG21 ILE 64 -14.204 -7.717 -4.171 529 HG22 ILE 64 HG22 ILE 64 -12.743 -7.479 -3.214 530 HG23 ILE 64 HG23 ILE 64 -12.715 -7.188 -4.955 531 HD11 ILE 64 HD11 ILE 64 -16.429 -5.521 -5.980 532 HD12 ILE 64 HD12 ILE 64 -16.468 -5.839 -4.245 533 HD13 ILE 64 HD13 ILE 64 -15.654 -6.966 -5.330 534 H TYR 65 HN TYR 65 -12.588 -4.327 -1.255 535 HA TYR 65 HA TYR 65 -11.284 -6.512 -0.053 536 HB2 TYR 65 HB2 TYR 65 -10.364 -4.200 -0.518 537 HB3 TYR 65 HB1 TYR 65 -11.212 -3.663 0.927 538 HD1 TYR 65 HD1 TYR 65 -8.578 -5.955 -0.308 539 HD2 TYR 65 HD2 TYR 65 -10.261 -4.005 3.077 540 HE1 TYR 65 HE1 TYR 65 -6.631 -6.626 1.034 541 HE2 TYR 65 HE2 TYR 65 -8.317 -4.673 4.433 542 HH TYR 65 HH TYR 65 -5.452 -5.939 3.038 543 H ASP 66 HN ASP 66 -13.768 -4.267 1.106 544 HA ASP 66 HA ASP 66 -13.800 -5.298 3.766 545 HB2 ASP 66 HB2 ASP 66 -15.640 -3.497 2.222 546 HB3 ASP 66 HB1 ASP 66 -16.109 -4.106 3.803 547 H ARG 67 HN ARG 67 -15.884 -5.868 0.906 548 HA ARG 67 HA ARG 67 -17.679 -7.554 2.341 549 HB2 ARG 67 HB2 ARG 67 -18.663 -8.055 0.178 550 HB3 ARG 67 HB1 ARG 67 -18.325 -6.333 0.297 551 HG2 ARG 67 HG2 ARG 67 -16.084 -7.021 -0.885 552 HG3 ARG 67 HG1 ARG 67 -17.046 -8.407 -1.405 553 HD2 ARG 67 HD2 ARG 67 -17.936 -5.562 -1.731 554 HD3 ARG 67 HD1 ARG 67 -17.006 -6.419 -2.958 555 HE ARG 67 HE ARG 67 -19.078 -8.090 -2.562 556 HH11 ARG 67 HH11 ARG 67 -18.968 -4.631 -3.093 557 HH12 ARG 67 HH12 ARG 67 -20.464 -4.586 -3.966 558 HH21 ARG 67 HH21 ARG 67 -21.028 -8.043 -3.735 559 HH22 ARG 67 HH22 ARG 67 -21.631 -6.535 -4.343 560 H TYR 68 HN TYR 68 -14.856 -8.186 0.295 561 HA TYR 68 HA TYR 68 -15.342 -11.055 0.479 562 HB2 TYR 68 HB2 TYR 68 -14.221 -9.376 -1.482 563 HB3 TYR 68 HB1 TYR 68 -12.891 -10.360 -0.882 564 HD1 TYR 68 HD2 TYR 68 -16.260 -10.499 -2.403 565 HD2 TYR 68 HD1 TYR 68 -12.724 -12.660 -1.451 566 HE1 TYR 68 HE2 TYR 68 -17.041 -12.377 -3.786 567 HE2 TYR 68 HE1 TYR 68 -13.497 -14.543 -2.829 568 HH TYR 68 HH TYR 68 -16.205 -14.286 -4.954 569 H GLY 69 HN GLY 69 -13.843 -8.714 2.241 570 HA2 GLY 69 HA2 GLY 69 -11.777 -10.336 3.404 571 HA3 GLY 69 HA1 GLY 69 -12.492 -8.874 4.089 572 H ARG 70 HN ARG 70 -15.026 -9.362 4.304 573 HA ARG 70 HA ARG 70 -15.342 -11.103 6.493 574 HB2 ARG 70 HB2 ARG 70 -17.372 -9.795 4.684 575 HB3 ARG 70 HB1 ARG 70 -17.790 -10.675 6.148 576 HG2 ARG 70 HG2 ARG 70 -16.021 -8.251 6.021 577 HG3 ARG 70 HG1 ARG 70 -17.722 -8.253 6.500 578 HD2 ARG 70 HD2 ARG 70 -15.442 -9.662 7.887 579 HD3 ARG 70 HD1 ARG 70 -16.317 -8.245 8.470 580 HE ARG 70 HE ARG 70 -18.228 -10.189 8.091 581 HH11 ARG 70 HH11 ARG 70 -15.319 -9.870 10.020 582 HH12 ARG 70 HH12 ARG 70 -15.907 -10.904 11.287 583 HH21 ARG 70 HH21 ARG 70 -18.992 -11.543 9.750 584 HH22 ARG 70 HH22 ARG 70 -17.974 -11.876 11.125 585 H GLU 71 HN GLU 71 -16.294 -11.438 3.078 586 HA GLU 71 HA GLU 71 -17.459 -14.005 3.410 587 HB2 GLU 71 HB2 GLU 71 -16.435 -12.600 0.943 588 HB3 GLU 71 HB1 GLU 71 -17.304 -14.128 0.916 589 HG2 GLU 71 HG2 GLU 71 -19.227 -13.013 1.985 590 HG3 GLU 71 HG1 GLU 71 -18.356 -11.482 1.892 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -12.038 3.919 12.635 2 H2 MET 1 HT2 MET 1 -11.059 4.177 11.278 3 H3 MET 1 HT3 MET 1 -10.904 2.750 12.175 4 HA MET 1 HA MET 1 -13.071 2.023 11.543 5 HB2 MET 1 HB2 MET 1 -14.134 4.232 11.395 6 HB3 MET 1 HB1 MET 1 -13.182 4.606 9.966 7 HG2 MET 1 HG2 MET 1 -14.279 2.753 8.776 8 HG3 MET 1 HG1 MET 1 -15.268 2.448 10.202 9 HE1 MET 1 HE1 MET 1 -14.394 5.038 7.362 10 HE2 MET 1 HE2 MET 1 -14.146 5.973 8.834 11 HE3 MET 1 HE3 MET 1 -15.488 6.364 7.753 12 H ALA 2 HN ALA 2 -11.601 3.975 8.935 13 HA ALA 2 HA ALA 2 -11.513 1.683 7.222 14 HB1 ALA 2 HB1 ALA 2 -11.927 3.949 6.358 15 HB2 ALA 2 HB2 ALA 2 -10.555 3.171 5.568 16 HB3 ALA 2 HB3 ALA 2 -10.280 4.402 6.800 17 H SER 3 HN SER 3 -9.180 3.490 9.114 18 HA SER 3 HA SER 3 -7.116 3.000 9.898 19 HB2 SER 3 HB2 SER 3 -7.629 0.202 8.871 20 HB3 SER 3 HB1 SER 3 -6.434 0.678 10.079 21 HG SER 3 HG SER 3 -7.974 0.353 11.461 22 H TYR 4 HN TYR 4 -7.858 3.008 6.717 23 HA TYR 4 HA TYR 4 -5.578 2.044 5.417 24 HB2 TYR 4 HB2 TYR 4 -6.953 2.496 3.709 25 HB3 TYR 4 HB1 TYR 4 -7.981 3.447 4.769 26 HD1 TYR 4 HD1 TYR 4 -5.175 3.619 2.380 27 HD2 TYR 4 HD2 TYR 4 -7.973 5.807 4.713 28 HE1 TYR 4 HE1 TYR 4 -4.628 5.656 1.116 29 HE2 TYR 4 HE2 TYR 4 -7.433 7.847 3.463 30 HH TYR 4 HH TYR 4 -5.535 8.744 2.119 31 H TYR 5 HN TYR 5 -6.308 5.172 6.801 32 HA TYR 5 HA TYR 5 -4.066 6.594 5.991 33 HB2 TYR 5 HB2 TYR 5 -4.436 7.737 8.344 34 HB3 TYR 5 HB1 TYR 5 -5.596 7.952 7.037 35 HD1 TYR 5 HD1 TYR 5 -7.789 6.890 7.136 36 HD2 TYR 5 HD2 TYR 5 -4.991 6.398 10.306 37 HE1 TYR 5 HE1 TYR 5 -9.576 6.012 8.571 38 HE2 TYR 5 HE2 TYR 5 -6.777 5.516 11.748 39 HH TYR 5 HH TYR 5 -9.265 5.652 11.899 40 H GLU 6 HN GLU 6 -4.451 4.331 8.673 41 HA GLU 6 HA GLU 6 -1.847 4.755 9.753 42 HB2 GLU 6 HB2 GLU 6 -3.802 2.486 10.116 43 HB3 GLU 6 HB1 GLU 6 -2.330 2.697 11.054 44 HG2 GLU 6 HG2 GLU 6 -4.463 4.790 10.921 45 HG3 GLU 6 HG1 GLU 6 -4.497 3.479 12.102 46 H ILE 7 HN ILE 7 -3.289 2.343 7.593 47 HA ILE 7 HA ILE 7 -1.000 0.656 7.608 48 HB ILE 7 HB ILE 7 -2.092 -0.652 5.899 49 HG12 ILE 7 HG12 ILE 7 -4.548 0.309 5.344 50 HG13 ILE 7 HG11 ILE 7 -3.660 1.826 5.458 51 HG21 ILE 7 HG21 ILE 7 -4.105 -1.247 7.070 52 HG22 ILE 7 HG22 ILE 7 -4.146 0.326 7.865 53 HG23 ILE 7 HG23 ILE 7 -2.855 -0.818 8.240 54 HD11 ILE 7 HD11 ILE 7 -2.063 0.953 3.779 55 HD12 ILE 7 HD12 ILE 7 -3.716 1.112 3.166 56 HD13 ILE 7 HD13 ILE 7 -3.080 -0.479 3.614 57 H LEU 8 HN LEU 8 -2.008 3.337 5.595 58 HA LEU 8 HA LEU 8 0.137 2.737 3.697 59 HB2 LEU 8 HB2 LEU 8 -2.074 3.275 2.770 60 HB3 LEU 8 HB1 LEU 8 -2.032 4.835 3.571 61 HG LEU 8 HG LEU 8 -0.069 5.461 2.195 62 HD11 LEU 8 HD11 LEU 8 -0.613 2.837 0.807 63 HD12 LEU 8 HD12 LEU 8 0.818 3.243 1.756 64 HD13 LEU 8 HD13 LEU 8 0.496 4.088 0.242 65 HD21 LEU 8 HD21 LEU 8 -2.347 6.075 1.529 66 HD22 LEU 8 HD22 LEU 8 -2.475 4.577 0.605 67 HD23 LEU 8 HD23 LEU 8 -1.302 5.807 0.132 68 H ASP 9 HN ASP 9 -1.091 5.838 4.910 69 HA ASP 9 HA ASP 9 1.153 6.723 6.277 70 HB2 ASP 9 HB2 ASP 9 2.296 6.411 4.071 71 HB3 ASP 9 HB1 ASP 9 1.198 7.595 3.376 72 H VAL 10 HN VAL 10 -1.325 7.596 3.957 73 HA VAL 10 HA VAL 10 -1.744 10.142 5.387 74 HB VAL 10 HB VAL 10 -2.465 11.123 3.229 75 HG11 VAL 10 HG11 VAL 10 0.320 9.968 3.183 76 HG12 VAL 10 HG12 VAL 10 -0.175 11.446 4.009 77 HG13 VAL 10 HG13 VAL 10 -0.239 11.355 2.248 78 HG21 VAL 10 HG21 VAL 10 -3.141 9.088 2.080 79 HG22 VAL 10 HG22 VAL 10 -1.469 8.531 2.048 80 HG23 VAL 10 HG23 VAL 10 -1.938 9.962 1.131 81 HA PRO 11 HA PRO 11 -6.049 9.011 5.638 82 HB2 PRO 11 HB2 PRO 11 -7.162 11.406 6.052 83 HB3 PRO 11 HB1 PRO 11 -6.076 10.687 7.249 84 HG2 PRO 11 HG2 PRO 11 -5.510 12.803 5.209 85 HG3 PRO 11 HG1 PRO 11 -5.005 12.722 6.907 86 HD2 PRO 11 HD2 PRO 11 -3.408 12.012 4.781 87 HD3 PRO 11 HD1 PRO 11 -3.209 11.389 6.431 88 H ARG 12 HN ARG 12 -8.243 9.773 4.731 89 HA ARG 12 HA ARG 12 -7.998 9.575 1.878 90 HB2 ARG 12 HB2 ARG 12 -10.585 9.642 2.089 91 HB3 ARG 12 HB1 ARG 12 -9.704 8.224 2.637 92 HG2 ARG 12 HG2 ARG 12 -9.874 9.000 4.937 93 HG3 ARG 12 HG1 ARG 12 -10.694 10.466 4.392 94 HD2 ARG 12 HD2 ARG 12 -11.735 7.685 3.890 95 HD3 ARG 12 HD1 ARG 12 -12.202 8.664 5.281 96 HE ARG 12 HE ARG 12 -13.140 10.275 3.707 97 HH11 ARG 12 HH11 ARG 12 -12.436 7.069 2.460 98 HH12 ARG 12 HH12 ARG 12 -13.623 7.176 1.196 99 HH21 ARG 12 HH21 ARG 12 -14.700 10.394 2.036 100 HH22 ARG 12 HH22 ARG 12 -14.876 9.053 0.934 101 H SER 13 HN SER 13 -8.243 12.158 3.977 102 HA SER 13 HA SER 13 -9.743 13.974 2.412 103 HB2 SER 13 HB2 SER 13 -7.528 14.652 4.360 104 HB3 SER 13 HB1 SER 13 -8.885 15.673 3.881 105 HG SER 13 HG SER 13 -10.279 14.352 4.989 106 H ALA 14 HN ALA 14 -6.681 12.603 1.989 107 HA ALA 14 HA ALA 14 -5.551 14.779 0.447 108 HB1 ALA 14 HB1 ALA 14 -3.636 13.356 0.178 109 HB2 ALA 14 HB2 ALA 14 -4.535 11.955 0.758 110 HB3 ALA 14 HB3 ALA 14 -4.156 13.279 1.860 111 H SER 15 HN SER 15 -5.304 14.809 -1.766 112 HA SER 15 HA SER 15 -7.256 13.411 -3.309 113 HB2 SER 15 HB2 SER 15 -4.916 15.037 -4.314 114 HB3 SER 15 HB1 SER 15 -6.407 14.669 -5.179 115 HG SER 15 HG SER 15 -7.540 15.962 -3.723 116 H ALA 16 HN ALA 16 -6.630 12.239 -5.354 117 HA ALA 16 HA ALA 16 -5.490 9.823 -4.627 118 HB1 ALA 16 HB1 ALA 16 -5.707 10.917 -7.427 119 HB2 ALA 16 HB2 ALA 16 -7.007 10.127 -6.532 120 HB3 ALA 16 HB3 ALA 16 -5.560 9.219 -6.974 121 H ASP 17 HN ASP 17 -3.946 12.548 -6.262 122 HA ASP 17 HA ASP 17 -1.548 11.285 -6.978 123 HB2 ASP 17 HB2 ASP 17 -2.325 13.532 -7.778 124 HB3 ASP 17 HB1 ASP 17 -1.855 14.167 -6.209 125 H ASP 18 HN ASP 18 -2.572 12.751 -3.953 126 HA ASP 18 HA ASP 18 0.023 12.821 -2.781 127 HB2 ASP 18 HB2 ASP 18 -2.034 14.143 -2.040 128 HB3 ASP 18 HB1 ASP 18 -2.560 12.663 -1.239 129 H ILE 19 HN ILE 19 -2.680 10.538 -2.664 130 HA ILE 19 HA ILE 19 -1.455 8.594 -1.048 131 HB ILE 19 HB ILE 19 -3.564 8.421 -3.171 132 HG12 ILE 19 HG12 ILE 19 -4.812 7.524 -1.089 133 HG13 ILE 19 HG11 ILE 19 -3.466 8.218 -0.190 134 HG21 ILE 19 HG21 ILE 19 -2.265 6.333 -3.322 135 HG22 ILE 19 HG22 ILE 19 -3.899 6.071 -2.717 136 HG23 ILE 19 HG23 ILE 19 -2.536 6.063 -1.598 137 HD11 ILE 19 HD11 ILE 19 -5.547 9.588 -1.820 138 HD12 ILE 19 HD12 ILE 19 -3.974 10.334 -1.563 139 HD13 ILE 19 HD13 ILE 19 -4.990 9.933 -0.176 140 H LYS 20 HN LYS 20 -1.371 9.159 -4.530 141 HA LYS 20 HA LYS 20 0.230 7.015 -5.286 142 HB2 LYS 20 HB2 LYS 20 -0.877 8.410 -6.927 143 HB3 LYS 20 HB1 LYS 20 0.077 9.803 -6.437 144 HG2 LYS 20 HG2 LYS 20 1.984 9.036 -7.480 145 HG3 LYS 20 HG1 LYS 20 1.451 7.354 -7.447 146 HD2 LYS 20 HD2 LYS 20 1.390 8.290 -9.716 147 HD3 LYS 20 HD1 LYS 20 -0.215 7.827 -9.153 148 HE2 LYS 20 HE2 LYS 20 -0.355 9.945 -10.278 149 HE3 LYS 20 HE1 LYS 20 -0.638 10.185 -8.555 150 HZ1 LYS 20 HZ1 LYS 20 1.681 10.891 -8.340 151 HZ2 LYS 20 HZ2 LYS 20 0.804 11.886 -9.391 152 HZ3 LYS 20 HZ3 LYS 20 1.888 10.738 -10.017 153 H LYS 21 HN LYS 21 1.171 10.247 -4.149 154 HA LYS 21 HA LYS 21 3.958 9.815 -4.214 155 HB2 LYS 21 HB2 LYS 21 2.213 11.631 -2.574 156 HB3 LYS 21 HB1 LYS 21 3.954 11.582 -2.347 157 HG2 LYS 21 HG2 LYS 21 2.756 12.075 -5.046 158 HG3 LYS 21 HG1 LYS 21 2.965 13.377 -3.876 159 HD2 LYS 21 HD2 LYS 21 4.898 13.443 -5.224 160 HD3 LYS 21 HD1 LYS 21 5.392 12.657 -3.728 161 HE2 LYS 21 HE2 LYS 21 5.263 10.486 -4.777 162 HE3 LYS 21 HE1 LYS 21 4.664 11.214 -6.270 163 HZ1 LYS 21 HZ1 LYS 21 6.761 12.397 -6.484 164 HZ2 LYS 21 HZ2 LYS 21 7.033 10.725 -6.399 165 HZ3 LYS 21 HZ3 LYS 21 7.327 11.703 -5.049 166 H ALA 22 HN ALA 22 1.523 8.972 -1.818 167 HA ALA 22 HA ALA 22 3.275 8.473 0.332 168 HB1 ALA 22 HB1 ALA 22 0.563 7.255 -0.172 169 HB2 ALA 22 HB2 ALA 22 0.861 8.813 0.601 170 HB3 ALA 22 HB3 ALA 22 1.411 7.326 1.373 171 H TYR 23 HN TYR 23 1.849 6.191 -2.061 172 HA TYR 23 HA TYR 23 3.329 4.027 -0.954 173 HB2 TYR 23 HB2 TYR 23 2.628 2.684 -2.826 174 HB3 TYR 23 HB1 TYR 23 1.263 3.571 -2.186 175 HD1 TYR 23 HD1 TYR 23 3.782 3.659 -4.915 176 HD2 TYR 23 HD2 TYR 23 -0.129 4.727 -3.664 177 HE1 TYR 23 HE1 TYR 23 3.241 4.321 -7.221 178 HE2 TYR 23 HE2 TYR 23 -0.682 5.413 -5.959 179 HH TYR 23 HH TYR 23 1.114 4.557 -8.621 180 H ARG 24 HN ARG 24 3.895 6.364 -3.489 181 HA ARG 24 HA ARG 24 6.074 5.210 -4.756 182 HB2 ARG 24 HB2 ARG 24 4.840 7.847 -4.483 183 HB3 ARG 24 HB1 ARG 24 6.561 7.918 -4.764 184 HG2 ARG 24 HG2 ARG 24 4.611 6.430 -6.494 185 HG3 ARG 24 HG1 ARG 24 5.230 8.049 -6.826 186 HD2 ARG 24 HD2 ARG 24 7.533 7.031 -6.696 187 HD3 ARG 24 HD1 ARG 24 6.742 5.455 -6.736 188 HE ARG 24 HE ARG 24 6.335 7.446 -8.882 189 HH11 ARG 24 HH11 ARG 24 7.152 4.222 -7.816 190 HH12 ARG 24 HH12 ARG 24 7.310 3.578 -9.422 191 HH21 ARG 24 HH21 ARG 24 6.548 6.618 -11.012 192 HH22 ARG 24 HH22 ARG 24 6.951 4.943 -11.236 193 H ARG 25 HN ARG 25 6.000 7.399 -1.937 194 HA ARG 25 HA ARG 25 8.812 7.454 -1.599 195 HB2 ARG 25 HB2 ARG 25 8.400 8.468 0.549 196 HB3 ARG 25 HB1 ARG 25 7.269 9.134 -0.620 197 HG2 ARG 25 HG2 ARG 25 5.533 7.615 0.240 198 HG3 ARG 25 HG1 ARG 25 6.674 7.037 1.455 199 HD2 ARG 25 HD2 ARG 25 5.277 8.677 2.479 200 HD3 ARG 25 HD1 ARG 25 6.878 9.383 2.269 201 HE ARG 25 HE ARG 25 5.813 10.383 0.144 202 HH11 ARG 25 HH11 ARG 25 4.182 9.830 3.189 203 HH12 ARG 25 HH12 ARG 25 3.028 11.100 2.958 204 HH21 ARG 25 HH21 ARG 25 4.313 12.111 -0.155 205 HH22 ARG 25 HH22 ARG 25 3.097 12.399 1.058 206 H LYS 26 HN LYS 26 6.276 5.394 -0.241 207 HA LYS 26 HA LYS 26 7.937 3.903 1.493 208 HB2 LYS 26 HB2 LYS 26 5.508 3.870 1.688 209 HB3 LYS 26 HB1 LYS 26 5.362 3.136 0.098 210 HG2 LYS 26 HG2 LYS 26 6.459 1.126 0.904 211 HG3 LYS 26 HG1 LYS 26 6.667 1.861 2.493 212 HD2 LYS 26 HD2 LYS 26 3.931 1.653 1.310 213 HD3 LYS 26 HD1 LYS 26 4.672 0.228 2.035 214 HE2 LYS 26 HE2 LYS 26 3.326 1.301 3.699 215 HE3 LYS 26 HE1 LYS 26 5.018 1.545 4.119 216 HZ1 LYS 26 HZ1 LYS 26 3.412 3.565 2.668 217 HZ2 LYS 26 HZ2 LYS 26 4.926 3.780 3.401 218 HZ3 LYS 26 HZ3 LYS 26 3.545 3.534 4.352 219 H ALA 27 HN ALA 27 7.063 3.539 -1.885 220 HA ALA 27 HA ALA 27 8.290 1.075 -2.414 221 HB1 ALA 27 HB1 ALA 27 8.210 3.287 -4.431 222 HB2 ALA 27 HB2 ALA 27 6.722 2.524 -3.881 223 HB3 ALA 27 HB3 ALA 27 7.971 1.554 -4.669 224 H LEU 28 HN LEU 28 9.549 4.344 -2.317 225 HA LEU 28 HA LEU 28 12.099 3.760 -3.411 226 HB2 LEU 28 HB2 LEU 28 10.797 6.056 -2.118 227 HB3 LEU 28 HB1 LEU 28 12.535 5.982 -1.909 228 HG LEU 28 HG LEU 28 12.878 6.010 -4.306 229 HD11 LEU 28 HD11 LEU 28 10.989 6.297 -5.856 230 HD12 LEU 28 HD12 LEU 28 9.873 6.021 -4.519 231 HD13 LEU 28 HD13 LEU 28 10.960 4.735 -5.039 232 HD21 LEU 28 HD21 LEU 28 10.925 8.125 -3.419 233 HD22 LEU 28 HD22 LEU 28 12.009 8.241 -4.808 234 HD23 LEU 28 HD23 LEU 28 12.672 8.147 -3.175 235 H GLN 29 HN GLN 29 10.811 3.786 -0.138 236 HA GLN 29 HA GLN 29 13.241 3.627 1.255 237 HB2 GLN 29 HB2 GLN 29 10.455 2.716 1.931 238 HB3 GLN 29 HB1 GLN 29 11.796 2.527 3.053 239 HG2 GLN 29 HG2 GLN 29 12.140 4.904 3.118 240 HG3 GLN 29 HG1 GLN 29 10.916 5.147 1.872 241 HE21 GLN 29 HE21 GLN 29 11.465 4.233 5.202 242 HE22 GLN 29 HE22 GLN 29 9.840 4.490 5.743 243 H TRP 30 HN TRP 30 11.235 1.109 -0.182 244 HA TRP 30 HA TRP 30 13.256 -0.873 0.604 245 HB2 TRP 30 HB2 TRP 30 10.345 -1.190 -0.111 246 HB3 TRP 30 HB1 TRP 30 11.453 -2.559 -0.038 247 HD1 TRP 30 HD1 TRP 30 12.949 -2.364 2.533 248 HE1 TRP 30 HE1 TRP 30 11.810 -2.284 4.840 249 HE3 TRP 30 HE3 TRP 30 8.314 -0.733 1.100 250 HZ2 TRP 30 HZ2 TRP 30 9.288 -1.616 5.909 251 HZ3 TRP 30 HZ3 TRP 30 6.598 -0.398 2.834 252 HH2 TRP 30 HH2 TRP 30 7.073 -0.829 5.185 253 H HIS 31 HN HIS 31 13.284 1.061 -1.708 254 HA HIS 31 HA HIS 31 12.878 -0.494 -4.082 255 HB2 HIS 31 HB2 HIS 31 12.975 2.136 -3.681 256 HB3 HIS 31 HB1 HIS 31 14.680 1.895 -4.036 257 HD1 HIS 31 HD1 HIS 31 15.310 1.917 -6.426 258 HD2 HIS 31 HD2 HIS 31 11.247 1.195 -5.892 259 HE1 HIS 31 HE1 HIS 31 14.307 1.926 -8.737 260 HE2 HIS 31 HE2 HIS 31 11.835 1.592 -8.390 261 HA PRO 32 HA PRO 32 16.207 -3.178 -3.897 262 HB2 PRO 32 HB2 PRO 32 17.222 -3.051 -6.503 263 HB3 PRO 32 HB1 PRO 32 15.908 -4.091 -5.948 264 HG2 PRO 32 HG2 PRO 32 15.788 -1.455 -7.337 265 HG3 PRO 32 HG1 PRO 32 14.743 -2.874 -7.527 266 HD2 PRO 32 HD2 PRO 32 13.909 -0.743 -6.159 267 HD3 PRO 32 HD1 PRO 32 13.524 -2.386 -5.602 268 H ASP 33 HN ASP 33 17.028 -0.151 -5.530 269 HA ASP 33 HA ASP 33 19.846 -0.442 -5.293 270 HB2 ASP 33 HB2 ASP 33 19.916 1.962 -5.867 271 HB3 ASP 33 HB1 ASP 33 18.878 1.048 -6.957 272 H LYS 34 HN LYS 34 17.373 0.686 -3.169 273 HA LYS 34 HA LYS 34 19.359 1.682 -1.257 274 HB2 LYS 34 HB2 LYS 34 16.382 2.146 -1.430 275 HB3 LYS 34 HB1 LYS 34 17.428 2.795 -0.174 276 HG2 LYS 34 HG2 LYS 34 17.660 3.380 -3.121 277 HG3 LYS 34 HG1 LYS 34 16.963 4.453 -1.903 278 HD2 LYS 34 HD2 LYS 34 18.989 4.978 -1.004 279 HD3 LYS 34 HD1 LYS 34 19.674 3.401 -1.398 280 HE2 LYS 34 HE2 LYS 34 20.562 5.456 -2.656 281 HE3 LYS 34 HE1 LYS 34 20.154 4.018 -3.590 282 HZ1 LYS 34 HZ1 LYS 34 18.161 4.998 -4.322 283 HZ2 LYS 34 HZ2 LYS 34 19.351 6.186 -4.517 284 HZ3 LYS 34 HZ3 LYS 34 18.271 6.281 -3.217 285 H ASN 35 HN ASN 35 18.284 -1.127 -1.944 286 HA ASN 35 HA ASN 35 17.474 -1.895 0.778 287 HB2 ASN 35 HB2 ASN 35 15.922 -2.525 -1.074 288 HB3 ASN 35 HB1 ASN 35 17.219 -3.470 -1.800 289 HD21 ASN 35 HD21 ASN 35 17.757 -5.437 -0.942 290 HD22 ASN 35 HD22 ASN 35 16.823 -6.211 0.296 291 HA PRO 36 HA PRO 36 21.547 -3.530 1.138 292 HB2 PRO 36 HB2 PRO 36 21.359 -4.627 3.568 293 HB3 PRO 36 HB1 PRO 36 21.233 -2.877 3.341 294 HG2 PRO 36 HG2 PRO 36 19.068 -4.902 3.725 295 HG3 PRO 36 HG1 PRO 36 19.232 -3.294 4.458 296 HD2 PRO 36 HD2 PRO 36 17.645 -3.849 2.277 297 HD3 PRO 36 HD1 PRO 36 18.319 -2.247 2.638 298 H ASP 37 HN ASP 37 20.961 -6.067 3.165 299 HA ASP 37 HA ASP 37 21.503 -7.901 0.938 300 HB2 ASP 37 HB2 ASP 37 22.009 -8.158 3.895 301 HB3 ASP 37 HB1 ASP 37 22.292 -9.457 2.744 302 H ASN 38 HN ASN 38 18.984 -7.039 2.970 303 HA ASN 38 HA ASN 38 17.726 -9.678 2.736 304 HB2 ASN 38 HB2 ASN 38 16.917 -7.222 4.307 305 HB3 ASN 38 HB1 ASN 38 15.961 -8.696 4.222 306 HD21 ASN 38 HD21 ASN 38 18.262 -10.458 4.254 307 HD22 ASN 38 HD22 ASN 38 18.884 -10.425 5.868 308 H LYS 39 HN LYS 39 16.873 -9.907 0.760 309 HA LYS 39 HA LYS 39 15.727 -7.568 -0.563 310 HB2 LYS 39 HB2 LYS 39 16.423 -10.319 -1.583 311 HB3 LYS 39 HB1 LYS 39 15.591 -9.116 -2.554 312 HG2 LYS 39 HG2 LYS 39 17.815 -8.944 -3.198 313 HG3 LYS 39 HG1 LYS 39 17.584 -7.602 -2.080 314 HD2 LYS 39 HD2 LYS 39 18.703 -8.769 -0.329 315 HD3 LYS 39 HD1 LYS 39 18.723 -10.267 -1.262 316 HE2 LYS 39 HE2 LYS 39 20.170 -7.723 -1.997 317 HE3 LYS 39 HE1 LYS 39 20.909 -9.148 -1.267 318 HZ1 LYS 39 HZ1 LYS 39 20.352 -10.429 -3.208 319 HZ2 LYS 39 HZ2 LYS 39 21.207 -9.046 -3.691 320 HZ3 LYS 39 HZ3 LYS 39 19.527 -9.121 -3.898 321 H GLU 40 HN GLU 40 14.793 -10.571 0.873 322 HA GLU 40 HA GLU 40 12.416 -11.127 -0.442 323 HB2 GLU 40 HB2 GLU 40 13.438 -12.650 1.154 324 HB3 GLU 40 HB1 GLU 40 13.112 -11.535 2.467 325 HG2 GLU 40 HG2 GLU 40 10.672 -11.798 1.952 326 HG3 GLU 40 HG1 GLU 40 11.124 -13.102 0.853 327 H PHE 41 HN PHE 41 12.973 -9.079 2.375 328 HA PHE 41 HA PHE 41 10.293 -8.404 2.841 329 HB2 PHE 41 HB2 PHE 41 12.771 -6.776 3.445 330 HB3 PHE 41 HB1 PHE 41 11.181 -6.527 4.159 331 HD1 PHE 41 HD1 PHE 41 10.215 -8.304 5.620 332 HD2 PHE 41 HD2 PHE 41 14.259 -8.371 4.305 333 HE1 PHE 41 HE1 PHE 41 10.770 -9.887 7.415 334 HE2 PHE 41 HE2 PHE 41 14.822 -9.956 6.098 335 HZ PHE 41 HZ PHE 41 13.074 -10.717 7.656 336 H ALA 42 HN ALA 42 12.763 -6.843 0.842 337 HA ALA 42 HA ALA 42 11.296 -4.545 0.183 338 HB1 ALA 42 HB1 ALA 42 13.422 -5.976 -1.407 339 HB2 ALA 42 HB2 ALA 42 13.678 -4.689 -0.227 340 HB3 ALA 42 HB3 ALA 42 12.830 -4.348 -1.735 341 H GLU 43 HN GLU 43 11.526 -7.702 -1.434 342 HA GLU 43 HA GLU 43 9.851 -6.984 -3.619 343 HB2 GLU 43 HB2 GLU 43 10.187 -9.803 -2.631 344 HB3 GLU 43 HB1 GLU 43 9.977 -9.232 -4.282 345 HG2 GLU 43 HG2 GLU 43 12.216 -8.198 -4.157 346 HG3 GLU 43 HG1 GLU 43 12.408 -8.917 -2.556 347 H LYS 44 HN LYS 44 9.310 -8.659 -0.552 348 HA LYS 44 HA LYS 44 6.600 -9.313 -1.055 349 HB2 LYS 44 HB2 LYS 44 8.119 -9.028 1.534 350 HB3 LYS 44 HB1 LYS 44 6.451 -9.583 1.449 351 HG2 LYS 44 HG2 LYS 44 8.803 -10.914 0.109 352 HG3 LYS 44 HG1 LYS 44 8.047 -11.436 1.615 353 HD2 LYS 44 HD2 LYS 44 5.963 -11.869 0.462 354 HD3 LYS 44 HD1 LYS 44 6.637 -11.238 -1.043 355 HE2 LYS 44 HE2 LYS 44 7.660 -13.650 0.451 356 HE3 LYS 44 HE1 LYS 44 6.620 -13.701 -0.973 357 HZ1 LYS 44 HZ1 LYS 44 8.381 -12.543 -2.211 358 HZ2 LYS 44 HZ2 LYS 44 8.893 -14.043 -1.622 359 HZ3 LYS 44 HZ3 LYS 44 9.389 -12.622 -0.850 360 H LYS 45 HN LYS 45 8.104 -6.520 0.527 361 HA LYS 45 HA LYS 45 5.606 -5.357 1.270 362 HB2 LYS 45 HB2 LYS 45 8.354 -4.119 1.050 363 HB3 LYS 45 HB1 LYS 45 6.942 -3.309 1.720 364 HG2 LYS 45 HG2 LYS 45 8.414 -5.682 2.804 365 HG3 LYS 45 HG1 LYS 45 8.109 -4.125 3.577 366 HD2 LYS 45 HD2 LYS 45 5.755 -4.634 3.729 367 HD3 LYS 45 HD1 LYS 45 6.005 -6.124 2.831 368 HE2 LYS 45 HE2 LYS 45 7.435 -6.954 4.638 369 HE3 LYS 45 HE1 LYS 45 7.118 -5.483 5.551 370 HZ1 LYS 45 HZ1 LYS 45 4.881 -6.058 5.828 371 HZ2 LYS 45 HZ2 LYS 45 5.721 -7.508 6.104 372 HZ3 LYS 45 HZ3 LYS 45 4.932 -7.253 4.626 373 H PHE 46 HN PHE 46 7.758 -5.068 -1.492 374 HA PHE 46 HA PHE 46 6.433 -2.998 -2.843 375 HB2 PHE 46 HB2 PHE 46 8.650 -4.059 -3.474 376 HB3 PHE 46 HB1 PHE 46 7.730 -5.394 -4.158 377 HD1 PHE 46 HD2 PHE 46 8.447 -1.793 -4.446 378 HD2 PHE 46 HD1 PHE 46 6.703 -5.212 -6.280 379 HE1 PHE 46 HE2 PHE 46 8.256 -0.553 -6.563 380 HE2 PHE 46 HE1 PHE 46 6.510 -3.983 -8.401 381 HZ PHE 46 HZ PHE 46 7.285 -1.651 -8.545 382 H LYS 47 HN LYS 47 5.850 -6.479 -2.740 383 HA LYS 47 HA LYS 47 3.654 -6.539 -4.513 384 HB2 LYS 47 HB2 LYS 47 4.380 -8.315 -2.182 385 HB3 LYS 47 HB1 LYS 47 3.047 -8.651 -3.276 386 HG2 LYS 47 HG2 LYS 47 5.896 -8.343 -4.183 387 HG3 LYS 47 HG1 LYS 47 5.168 -9.888 -3.742 388 HD2 LYS 47 HD2 LYS 47 3.436 -9.526 -5.469 389 HD3 LYS 47 HD1 LYS 47 4.256 -8.035 -5.941 390 HE2 LYS 47 HE2 LYS 47 6.183 -9.222 -6.655 391 HE3 LYS 47 HE1 LYS 47 5.613 -10.718 -5.920 392 HZ1 LYS 47 HZ1 LYS 47 3.739 -10.668 -7.513 393 HZ2 LYS 47 HZ2 LYS 47 5.257 -10.847 -8.247 394 HZ3 LYS 47 HZ3 LYS 47 4.471 -9.347 -8.293 395 H GLU 48 HN GLU 48 3.869 -6.141 -1.000 396 HA GLU 48 HA GLU 48 1.107 -6.131 -0.485 397 HB2 GLU 48 HB2 GLU 48 3.455 -5.021 1.042 398 HB3 GLU 48 HB1 GLU 48 1.808 -4.913 1.649 399 HG2 GLU 48 HG2 GLU 48 1.619 -7.312 1.691 400 HG3 GLU 48 HG1 GLU 48 3.207 -7.479 0.943 401 H VAL 49 HN VAL 49 3.377 -3.450 -1.069 402 HA VAL 49 HA VAL 49 1.424 -1.440 -0.674 403 HB VAL 49 HB VAL 49 3.809 -0.901 -0.542 404 HG11 VAL 49 HG11 VAL 49 3.891 -1.176 -3.540 405 HG12 VAL 49 HG12 VAL 49 4.531 -2.375 -2.417 406 HG13 VAL 49 HG13 VAL 49 5.224 -0.753 -2.463 407 HG21 VAL 49 HG21 VAL 49 3.752 1.212 -1.698 408 HG22 VAL 49 HG22 VAL 49 2.151 0.864 -1.044 409 HG23 VAL 49 HG23 VAL 49 2.472 0.636 -2.762 410 H ALA 50 HN ALA 50 2.426 -3.274 -3.514 411 HA ALA 50 HA ALA 50 1.157 -1.660 -5.445 412 HB1 ALA 50 HB1 ALA 50 1.624 -4.635 -5.620 413 HB2 ALA 50 HB2 ALA 50 2.855 -3.411 -5.926 414 HB3 ALA 50 HB3 ALA 50 1.428 -3.501 -6.960 415 H GLU 51 HN GLU 51 -0.001 -4.540 -3.711 416 HA GLU 51 HA GLU 51 -2.547 -4.536 -4.988 417 HB2 GLU 51 HB2 GLU 51 -3.198 -6.142 -3.233 418 HB3 GLU 51 HB1 GLU 51 -1.677 -6.580 -3.995 419 HG2 GLU 51 HG2 GLU 51 -0.470 -5.622 -2.075 420 HG3 GLU 51 HG1 GLU 51 -2.012 -5.256 -1.305 421 H ALA 52 HN ALA 52 -1.222 -3.137 -2.088 422 HA ALA 52 HA ALA 52 -3.727 -2.388 -0.976 423 HB1 ALA 52 HB1 ALA 52 -1.584 -2.842 0.265 424 HB2 ALA 52 HB2 ALA 52 -2.490 -1.405 0.764 425 HB3 ALA 52 HB3 ALA 52 -1.053 -1.235 -0.248 426 H TYR 53 HN TYR 53 -1.204 -0.578 -2.774 427 HA TYR 53 HA TYR 53 -2.493 1.913 -2.466 428 HB2 TYR 53 HB2 TYR 53 -0.872 2.813 -3.825 429 HB3 TYR 53 HB1 TYR 53 -0.062 1.340 -3.322 430 HD1 TYR 53 HD2 TYR 53 -1.970 2.866 -6.142 431 HD2 TYR 53 HD1 TYR 53 0.718 -0.192 -4.915 432 HE1 TYR 53 HE2 TYR 53 -1.550 2.293 -8.498 433 HE2 TYR 53 HE1 TYR 53 1.155 -0.760 -7.262 434 HH TYR 53 HH TYR 53 -0.060 -0.545 -9.460 435 H GLU 54 HN GLU 54 -2.793 -0.685 -4.772 436 HA GLU 54 HA GLU 54 -4.434 0.606 -6.656 437 HB2 GLU 54 HB2 GLU 54 -3.331 -1.902 -6.355 438 HB3 GLU 54 HB1 GLU 54 -5.050 -2.222 -6.179 439 HG2 GLU 54 HG2 GLU 54 -3.912 -0.669 -8.481 440 HG3 GLU 54 HG1 GLU 54 -4.091 -2.422 -8.502 441 H VAL 55 HN VAL 55 -5.312 -1.389 -3.814 442 HA VAL 55 HA VAL 55 -8.104 -0.958 -4.194 443 HB VAL 55 HB VAL 55 -7.269 -2.966 -3.064 444 HG11 VAL 55 HG11 VAL 55 -6.584 -2.869 -0.702 445 HG12 VAL 55 HG12 VAL 55 -6.552 -1.107 -0.808 446 HG13 VAL 55 HG13 VAL 55 -5.441 -2.072 -1.781 447 HG21 VAL 55 HG21 VAL 55 -9.102 -1.275 -1.377 448 HG22 VAL 55 HG22 VAL 55 -8.928 -3.026 -1.263 449 HG23 VAL 55 HG23 VAL 55 -9.568 -2.298 -2.736 450 H LEU 56 HN LEU 56 -5.672 0.660 -2.192 451 HA LEU 56 HA LEU 56 -7.525 1.937 -0.457 452 HB2 LEU 56 HB2 LEU 56 -4.701 2.776 -1.108 453 HB3 LEU 56 HB1 LEU 56 -5.644 3.328 0.255 454 HG LEU 56 HG LEU 56 -4.831 0.470 -0.141 455 HD11 LEU 56 HD11 LEU 56 -3.147 1.034 1.638 456 HD12 LEU 56 HD12 LEU 56 -3.498 2.736 1.315 457 HD13 LEU 56 HD13 LEU 56 -2.825 1.715 0.043 458 HD21 LEU 56 HD21 LEU 56 -6.763 0.794 1.296 459 HD22 LEU 56 HD22 LEU 56 -5.869 1.987 2.232 460 HD23 LEU 56 HD23 LEU 56 -5.357 0.303 2.238 461 H SER 57 HN SER 57 -6.413 2.697 -3.617 462 HA SER 57 HA SER 57 -6.844 5.527 -3.407 463 HB2 SER 57 HB2 SER 57 -5.170 4.448 -4.952 464 HB3 SER 57 HB1 SER 57 -6.523 3.863 -5.919 465 HG SER 57 HG SER 57 -5.330 6.253 -5.983 466 H ASP 58 HN ASP 58 -8.782 2.763 -4.095 467 HA ASP 58 HA ASP 58 -10.903 4.515 -5.158 468 HB2 ASP 58 HB2 ASP 58 -10.025 2.728 -6.713 469 HB3 ASP 58 HB1 ASP 58 -10.707 1.538 -5.606 470 H LYS 59 HN LYS 59 -12.536 4.841 -3.865 471 HA LYS 59 HA LYS 59 -12.797 3.629 -1.340 472 HB2 LYS 59 HB2 LYS 59 -14.775 4.965 -1.078 473 HB3 LYS 59 HB1 LYS 59 -13.576 5.878 -1.960 474 HG2 LYS 59 HG2 LYS 59 -15.676 4.433 -3.475 475 HG3 LYS 59 HG1 LYS 59 -16.042 5.980 -2.704 476 HD2 LYS 59 HD2 LYS 59 -14.018 6.914 -3.878 477 HD3 LYS 59 HD1 LYS 59 -13.945 5.408 -4.790 478 HE2 LYS 59 HE2 LYS 59 -16.114 5.817 -5.739 479 HE3 LYS 59 HE1 LYS 59 -16.336 7.237 -4.716 480 HZ1 LYS 59 HZ1 LYS 59 -14.226 6.942 -6.790 481 HZ2 LYS 59 HZ2 LYS 59 -14.514 8.319 -5.841 482 HZ3 LYS 59 HZ3 LYS 59 -15.664 7.821 -6.980 483 H HIS 60 HN HIS 60 -14.396 3.079 -4.366 484 HA HIS 60 HA HIS 60 -16.334 1.235 -3.383 485 HB2 HIS 60 HB2 HIS 60 -15.257 1.660 -6.170 486 HB3 HIS 60 HB1 HIS 60 -16.536 0.512 -5.796 487 HD1 HIS 60 HD1 HIS 60 -18.169 2.280 -3.822 488 HD2 HIS 60 HD2 HIS 60 -16.689 3.548 -7.504 489 HE1 HIS 60 HE1 HIS 60 -19.625 4.219 -4.519 490 HE2 HIS 60 HE2 HIS 60 -18.845 4.817 -6.843 491 H LYS 61 HN LYS 61 -13.139 0.838 -4.820 492 HA LYS 61 HA LYS 61 -13.104 -1.974 -4.847 493 HB2 LYS 61 HB2 LYS 61 -11.496 -0.262 -5.929 494 HB3 LYS 61 HB1 LYS 61 -10.670 -0.277 -4.380 495 HG2 LYS 61 HG2 LYS 61 -10.040 -2.515 -4.601 496 HG3 LYS 61 HG1 LYS 61 -11.206 -2.801 -5.896 497 HD2 LYS 61 HD2 LYS 61 -8.729 -1.083 -6.049 498 HD3 LYS 61 HD1 LYS 61 -8.970 -2.652 -6.825 499 HE2 LYS 61 HE2 LYS 61 -10.882 -1.654 -8.080 500 HE3 LYS 61 HE1 LYS 61 -10.453 -0.089 -7.394 501 HZ1 LYS 61 HZ1 LYS 61 -9.453 -0.145 -9.489 502 HZ2 LYS 61 HZ2 LYS 61 -8.912 -1.739 -9.298 503 HZ3 LYS 61 HZ3 LYS 61 -8.181 -0.490 -8.419 504 H ARG 62 HN ARG 62 -12.357 0.384 -2.340 505 HA ARG 62 HA ARG 62 -11.366 -1.387 -0.399 506 HB2 ARG 62 HB2 ARG 62 -12.708 1.281 -0.280 507 HB3 ARG 62 HB1 ARG 62 -12.464 0.378 1.208 508 HG2 ARG 62 HG2 ARG 62 -10.299 1.195 -0.721 509 HG3 ARG 62 HG1 ARG 62 -10.674 1.988 0.811 510 HD2 ARG 62 HD2 ARG 62 -9.700 -0.844 0.433 511 HD3 ARG 62 HD1 ARG 62 -8.779 0.506 1.096 512 HE ARG 62 HE ARG 62 -11.237 -0.272 2.483 513 HH11 ARG 62 HH11 ARG 62 -7.734 -0.307 2.394 514 HH12 ARG 62 HH12 ARG 62 -7.573 -0.735 4.073 515 HH21 ARG 62 HH21 ARG 62 -11.029 -0.861 4.663 516 HH22 ARG 62 HH22 ARG 62 -9.443 -1.047 5.358 517 H GLU 63 HN GLU 63 -14.659 -0.526 -1.313 518 HA GLU 63 HA GLU 63 -15.992 -1.815 0.809 519 HB2 GLU 63 HB2 GLU 63 -16.945 -1.397 -2.029 520 HB3 GLU 63 HB1 GLU 63 -17.964 -1.797 -0.655 521 HG2 GLU 63 HG2 GLU 63 -17.389 0.330 0.393 522 HG3 GLU 63 HG1 GLU 63 -16.365 0.730 -0.987 523 H ILE 64 HN ILE 64 -14.990 -2.920 -2.393 524 HA ILE 64 HA ILE 64 -16.039 -5.531 -2.199 525 HB ILE 64 HB ILE 64 -14.016 -4.215 -3.954 526 HG12 ILE 64 HG12 ILE 64 -15.515 -5.077 -5.724 527 HG13 ILE 64 HG11 ILE 64 -16.502 -5.848 -4.490 528 HG21 ILE 64 HG21 ILE 64 -13.673 -6.403 -5.140 529 HG22 ILE 64 HG22 ILE 64 -14.315 -7.176 -3.694 530 HG23 ILE 64 HG23 ILE 64 -12.844 -6.221 -3.594 531 HD11 ILE 64 HD11 ILE 64 -16.972 -3.617 -3.542 532 HD12 ILE 64 HD12 ILE 64 -17.551 -3.821 -5.194 533 HD13 ILE 64 HD13 ILE 64 -16.080 -2.898 -4.885 534 H TYR 65 HN TYR 65 -12.851 -4.191 -1.458 535 HA TYR 65 HA TYR 65 -11.627 -6.639 -0.763 536 HB2 TYR 65 HB2 TYR 65 -10.311 -4.692 -1.352 537 HB3 TYR 65 HB1 TYR 65 -10.957 -3.793 0.013 538 HD1 TYR 65 HD1 TYR 65 -8.922 -6.805 -0.810 539 HD2 TYR 65 HD2 TYR 65 -9.821 -3.790 2.055 540 HE1 TYR 65 HE1 TYR 65 -7.034 -7.563 0.573 541 HE2 TYR 65 HE2 TYR 65 -7.935 -4.540 3.441 542 HH TYR 65 HH TYR 65 -5.553 -6.708 2.287 543 H ASP 66 HN ASP 66 -13.513 -4.314 1.078 544 HA ASP 66 HA ASP 66 -12.755 -5.241 3.642 545 HB2 ASP 66 HB2 ASP 66 -13.891 -3.025 3.006 546 HB3 ASP 66 HB1 ASP 66 -15.398 -3.935 3.011 547 H ARG 67 HN ARG 67 -15.621 -5.934 1.599 548 HA ARG 67 HA ARG 67 -16.602 -7.818 3.549 549 HB2 ARG 67 HB2 ARG 67 -18.414 -8.175 1.947 550 HB3 ARG 67 HB1 ARG 67 -18.139 -6.466 2.252 551 HG2 ARG 67 HG2 ARG 67 -16.689 -6.533 0.136 552 HG3 ARG 67 HG1 ARG 67 -17.510 -8.061 -0.194 553 HD2 ARG 67 HD2 ARG 67 -18.785 -5.393 0.273 554 HD3 ARG 67 HD1 ARG 67 -18.667 -6.230 -1.279 555 HE ARG 67 HE ARG 67 -20.067 -7.575 0.918 556 HH11 ARG 67 HH11 ARG 67 -20.264 -5.854 -2.134 557 HH12 ARG 67 HH12 ARG 67 -21.867 -6.440 -2.489 558 HH21 ARG 67 HH21 ARG 67 -22.144 -8.333 0.446 559 HH22 ARG 67 HH22 ARG 67 -22.942 -7.822 -1.009 560 H TYR 68 HN TYR 68 -14.962 -8.043 0.407 561 HA TYR 68 HA TYR 68 -15.400 -10.929 0.382 562 HB2 TYR 68 HB2 TYR 68 -15.689 -9.296 -1.640 563 HB3 TYR 68 HB1 TYR 68 -13.940 -9.430 -1.770 564 HD1 TYR 68 HD2 TYR 68 -16.872 -11.697 -1.310 565 HD2 TYR 68 HD1 TYR 68 -13.155 -11.008 -3.258 566 HE1 TYR 68 HE2 TYR 68 -17.154 -13.787 -2.572 567 HE2 TYR 68 HE1 TYR 68 -13.428 -13.095 -4.527 568 HH TYR 68 HH TYR 68 -14.617 -15.197 -4.393 569 H GLY 69 HN GLY 69 -13.325 -9.030 1.853 570 HA2 GLY 69 HA2 GLY 69 -10.923 -10.601 1.405 571 HA3 GLY 69 HA1 GLY 69 -11.153 -9.329 2.605 572 H ARG 70 HN ARG 70 -13.273 -10.050 3.934 573 HA ARG 70 HA ARG 70 -12.417 -12.083 5.695 574 HB2 ARG 70 HB2 ARG 70 -15.234 -11.019 5.472 575 HB3 ARG 70 HB1 ARG 70 -14.453 -11.701 6.891 576 HG2 ARG 70 HG2 ARG 70 -13.663 -9.130 5.552 577 HG3 ARG 70 HG1 ARG 70 -14.669 -9.254 6.996 578 HD2 ARG 70 HD2 ARG 70 -12.848 -10.232 8.231 579 HD3 ARG 70 HD1 ARG 70 -11.852 -10.303 6.775 580 HE ARG 70 HE ARG 70 -12.732 -7.643 7.382 581 HH11 ARG 70 HH11 ARG 70 -10.330 -10.072 8.155 582 HH12 ARG 70 HH12 ARG 70 -9.126 -8.909 8.622 583 HH21 ARG 70 HH21 ARG 70 -11.157 -6.119 7.976 584 HH22 ARG 70 HH22 ARG 70 -9.587 -6.654 8.513 585 H GLU 71 HN GLU 71 -14.849 -11.987 3.141 586 HA GLU 71 HA GLU 71 -15.733 -14.679 3.625 587 HB2 GLU 71 HB2 GLU 71 -16.333 -12.743 1.383 588 HB3 GLU 71 HB1 GLU 71 -17.089 -14.321 1.560 589 HG2 GLU 71 HG2 GLU 71 -18.032 -13.646 3.699 590 HG3 GLU 71 HG1 GLU 71 -17.254 -12.072 3.552 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -10.632 -2.122 11.899 2 H2 MET 1 HT2 MET 1 -11.510 -2.006 13.348 3 H3 MET 1 HT3 MET 1 -10.120 -1.059 13.117 4 HA MET 1 HA MET 1 -12.676 -0.839 11.642 5 HB2 MET 1 HB2 MET 1 -12.668 0.079 13.951 6 HB3 MET 1 HB1 MET 1 -11.283 1.076 13.531 7 HG2 MET 1 HG2 MET 1 -12.627 2.265 11.882 8 HG3 MET 1 HG1 MET 1 -14.016 1.255 12.281 9 HE1 MET 1 HE1 MET 1 -15.470 3.482 12.693 10 HE2 MET 1 HE2 MET 1 -14.053 4.449 12.284 11 HE3 MET 1 HE3 MET 1 -14.954 4.784 13.764 12 H ALA 2 HN ALA 2 -11.623 -1.088 9.642 13 HA ALA 2 HA ALA 2 -10.818 -0.265 7.689 14 HB1 ALA 2 HB1 ALA 2 -11.895 1.844 8.230 15 HB2 ALA 2 HB2 ALA 2 -10.344 2.125 7.437 16 HB3 ALA 2 HB3 ALA 2 -10.494 2.333 9.182 17 H SER 3 HN SER 3 -8.779 1.528 10.008 18 HA SER 3 HA SER 3 -6.537 1.592 10.321 19 HB2 SER 3 HB2 SER 3 -6.643 -1.288 9.393 20 HB3 SER 3 HB1 SER 3 -5.318 -0.536 10.282 21 HG SER 3 HG SER 3 -7.148 -0.012 11.857 22 H TYR 4 HN TYR 4 -7.653 2.254 7.655 23 HA TYR 4 HA TYR 4 -5.806 1.413 5.674 24 HB2 TYR 4 HB2 TYR 4 -7.726 3.740 5.791 25 HB3 TYR 4 HB1 TYR 4 -6.717 3.409 4.386 26 HD1 TYR 4 HD1 TYR 4 -6.896 0.881 3.532 27 HD2 TYR 4 HD2 TYR 4 -9.871 2.925 5.780 28 HE1 TYR 4 HE1 TYR 4 -8.600 -0.666 2.669 29 HE2 TYR 4 HE2 TYR 4 -11.585 1.383 4.929 30 HH TYR 4 HH TYR 4 -10.838 -1.503 3.333 31 H TYR 5 HN TYR 5 -5.939 4.112 7.901 32 HA TYR 5 HA TYR 5 -3.765 5.595 6.918 33 HB2 TYR 5 HB2 TYR 5 -5.457 6.259 8.711 34 HB3 TYR 5 HB1 TYR 5 -4.517 5.285 9.830 35 HD1 TYR 5 HD1 TYR 5 -4.519 8.309 7.752 36 HD2 TYR 5 HD2 TYR 5 -2.415 6.097 10.709 37 HE1 TYR 5 HE1 TYR 5 -3.095 10.262 8.183 38 HE2 TYR 5 HE2 TYR 5 -0.973 8.045 11.143 39 HH TYR 5 HH TYR 5 -0.237 10.072 10.092 40 H GLU 6 HN GLU 6 -4.009 2.782 8.975 41 HA GLU 6 HA GLU 6 -1.266 2.712 9.734 42 HB2 GLU 6 HB2 GLU 6 -3.528 0.750 9.932 43 HB3 GLU 6 HB1 GLU 6 -1.889 0.331 10.425 44 HG2 GLU 6 HG2 GLU 6 -3.515 2.613 11.492 45 HG3 GLU 6 HG1 GLU 6 -3.236 1.074 12.314 46 H ILE 7 HN ILE 7 -3.210 1.046 7.279 47 HA ILE 7 HA ILE 7 -1.144 -0.764 6.587 48 HB ILE 7 HB ILE 7 -2.525 -1.365 4.628 49 HG12 ILE 7 HG12 ILE 7 -4.969 -0.267 4.943 50 HG13 ILE 7 HG11 ILE 7 -3.971 1.106 5.405 51 HG21 ILE 7 HG21 ILE 7 -4.273 -2.393 5.862 52 HG22 ILE 7 HG22 ILE 7 -4.199 -1.150 7.112 53 HG23 ILE 7 HG23 ILE 7 -2.868 -2.297 6.927 54 HD11 ILE 7 HD11 ILE 7 -2.797 0.932 3.244 55 HD12 ILE 7 HD12 ILE 7 -4.522 1.243 3.075 56 HD13 ILE 7 HD13 ILE 7 -3.889 -0.375 2.788 57 H LEU 8 HN LEU 8 -2.190 2.314 5.142 58 HA LEU 8 HA LEU 8 0.135 2.112 3.370 59 HB2 LEU 8 HB2 LEU 8 -2.078 2.611 2.337 60 HB3 LEU 8 HB1 LEU 8 -2.112 4.120 3.232 61 HG LEU 8 HG LEU 8 -0.062 4.845 2.047 62 HD11 LEU 8 HD11 LEU 8 0.686 3.594 0.081 63 HD12 LEU 8 HD12 LEU 8 -0.459 2.308 0.463 64 HD13 LEU 8 HD13 LEU 8 0.878 2.652 1.560 65 HD21 LEU 8 HD21 LEU 8 -2.251 5.507 1.215 66 HD22 LEU 8 HD22 LEU 8 -2.349 4.028 0.260 67 HD23 LEU 8 HD23 LEU 8 -1.128 5.243 -0.119 68 H ASP 9 HN ASP 9 -1.127 5.216 4.039 69 HA ASP 9 HA ASP 9 0.761 5.954 6.080 70 HB2 ASP 9 HB2 ASP 9 1.155 6.874 3.226 71 HB3 ASP 9 HB1 ASP 9 1.811 7.747 4.605 72 H VAL 10 HN VAL 10 -1.832 6.575 3.932 73 HA VAL 10 HA VAL 10 -2.429 9.119 5.292 74 HB VAL 10 HB VAL 10 -3.673 9.777 3.252 75 HG11 VAL 10 HG11 VAL 10 -0.779 9.057 2.798 76 HG12 VAL 10 HG12 VAL 10 -1.389 10.534 3.546 77 HG13 VAL 10 HG13 VAL 10 -1.708 10.212 1.842 78 HG21 VAL 10 HG21 VAL 10 -2.469 7.277 2.058 79 HG22 VAL 10 HG22 VAL 10 -3.363 8.519 1.180 80 HG23 VAL 10 HG23 VAL 10 -4.179 7.544 2.401 81 HA PRO 11 HA PRO 11 -6.081 7.628 7.002 82 HB2 PRO 11 HB2 PRO 11 -8.008 9.470 6.277 83 HB3 PRO 11 HB1 PRO 11 -6.837 9.683 7.584 84 HG2 PRO 11 HG2 PRO 11 -6.761 10.708 4.778 85 HG3 PRO 11 HG1 PRO 11 -6.289 11.521 6.281 86 HD2 PRO 11 HD2 PRO 11 -4.463 10.494 4.607 87 HD3 PRO 11 HD1 PRO 11 -4.241 10.432 6.370 88 H ARG 12 HN ARG 12 -7.837 9.074 4.299 89 HA ARG 12 HA ARG 12 -8.292 6.677 2.883 90 HB2 ARG 12 HB2 ARG 12 -10.688 6.336 3.502 91 HB3 ARG 12 HB1 ARG 12 -9.556 5.941 4.787 92 HG2 ARG 12 HG2 ARG 12 -10.033 8.097 5.853 93 HG3 ARG 12 HG1 ARG 12 -11.185 8.470 4.571 94 HD2 ARG 12 HD2 ARG 12 -12.501 6.498 5.205 95 HD3 ARG 12 HD1 ARG 12 -11.359 6.163 6.503 96 HE ARG 12 HE ARG 12 -12.322 8.794 6.778 97 HH11 ARG 12 HH11 ARG 12 -13.433 5.483 7.084 98 HH12 ARG 12 HH12 ARG 12 -14.608 5.863 8.307 99 HH21 ARG 12 HH21 ARG 12 -13.870 9.292 8.377 100 HH22 ARG 12 HH22 ARG 12 -14.873 8.020 9.026 101 H SER 13 HN SER 13 -9.499 9.884 3.753 102 HA SER 13 HA SER 13 -10.729 10.148 1.110 103 HB2 SER 13 HB2 SER 13 -11.911 10.875 3.244 104 HB3 SER 13 HB1 SER 13 -10.739 12.187 3.344 105 HG SER 13 HG SER 13 -12.022 13.219 2.048 106 H ALA 14 HN ALA 14 -7.815 10.046 1.540 107 HA ALA 14 HA ALA 14 -6.827 12.693 1.031 108 HB1 ALA 14 HB1 ALA 14 -5.459 11.172 2.293 109 HB2 ALA 14 HB2 ALA 14 -4.672 11.505 0.757 110 HB3 ALA 14 HB3 ALA 14 -5.513 9.983 0.993 111 H SER 15 HN SER 15 -6.063 13.473 -0.928 112 HA SER 15 HA SER 15 -7.224 12.702 -3.329 113 HB2 SER 15 HB2 SER 15 -4.529 14.050 -3.037 114 HB3 SER 15 HB1 SER 15 -5.667 14.212 -4.376 115 HG SER 15 HG SER 15 -7.164 15.027 -2.651 116 H ALA 16 HN ALA 16 -6.786 11.194 -4.805 117 HA ALA 16 HA ALA 16 -5.513 8.873 -4.052 118 HB1 ALA 16 HB1 ALA 16 -7.283 9.030 -5.743 119 HB2 ALA 16 HB2 ALA 16 -5.909 8.069 -6.287 120 HB3 ALA 16 HB3 ALA 16 -6.121 9.720 -6.876 121 H ASP 17 HN ASP 17 -4.175 11.536 -5.941 122 HA ASP 17 HA ASP 17 -1.857 10.228 -6.864 123 HB2 ASP 17 HB2 ASP 17 -2.673 12.493 -7.624 124 HB3 ASP 17 HB1 ASP 17 -2.027 13.132 -6.118 125 H ASP 18 HN ASP 18 -2.623 11.782 -3.828 126 HA ASP 18 HA ASP 18 0.017 11.787 -2.773 127 HB2 ASP 18 HB2 ASP 18 -1.996 13.146 -1.952 128 HB3 ASP 18 HB1 ASP 18 -2.507 11.670 -1.133 129 H ILE 19 HN ILE 19 -2.697 9.541 -2.643 130 HA ILE 19 HA ILE 19 -1.527 7.545 -1.072 131 HB ILE 19 HB ILE 19 -3.527 7.415 -3.306 132 HG12 ILE 19 HG12 ILE 19 -4.887 6.484 -1.323 133 HG13 ILE 19 HG11 ILE 19 -3.591 7.133 -0.325 134 HG21 ILE 19 HG21 ILE 19 -2.210 5.349 -3.433 135 HG22 ILE 19 HG22 ILE 19 -3.861 5.050 -2.889 136 HG23 ILE 19 HG23 ILE 19 -2.535 5.048 -1.725 137 HD11 ILE 19 HD11 ILE 19 -5.582 8.564 -2.004 138 HD12 ILE 19 HD12 ILE 19 -4.018 9.296 -1.661 139 HD13 ILE 19 HD13 ILE 19 -5.095 8.857 -0.332 140 H LYS 20 HN LYS 20 -1.313 8.177 -4.554 141 HA LYS 20 HA LYS 20 0.420 6.069 -5.228 142 HB2 LYS 20 HB2 LYS 20 0.543 8.806 -6.493 143 HB3 LYS 20 HB1 LYS 20 0.909 7.255 -7.232 144 HG2 LYS 20 HG2 LYS 20 -1.831 8.145 -6.367 145 HG3 LYS 20 HG1 LYS 20 -1.202 8.251 -8.008 146 HD2 LYS 20 HD2 LYS 20 -0.994 5.828 -8.108 147 HD3 LYS 20 HD1 LYS 20 -1.554 5.699 -6.437 148 HE2 LYS 20 HE2 LYS 20 -3.698 6.637 -7.045 149 HE3 LYS 20 HE1 LYS 20 -3.143 6.907 -8.695 150 HZ1 LYS 20 HZ1 LYS 20 -2.919 4.496 -8.950 151 HZ2 LYS 20 HZ2 LYS 20 -4.509 4.951 -8.581 152 HZ3 LYS 20 HZ3 LYS 20 -3.529 4.269 -7.382 153 H LYS 21 HN LYS 21 1.017 9.328 -3.974 154 HA LYS 21 HA LYS 21 3.835 9.230 -4.076 155 HB2 LYS 21 HB2 LYS 21 1.964 10.770 -2.284 156 HB3 LYS 21 HB1 LYS 21 3.710 10.948 -2.214 157 HG2 LYS 21 HG2 LYS 21 1.970 11.518 -4.603 158 HG3 LYS 21 HG1 LYS 21 2.682 12.716 -3.521 159 HD2 LYS 21 HD2 LYS 21 4.268 12.755 -5.149 160 HD3 LYS 21 HD1 LYS 21 4.902 11.403 -4.208 161 HE2 LYS 21 HE2 LYS 21 4.840 10.928 -6.617 162 HE3 LYS 21 HE1 LYS 21 3.836 9.814 -5.680 163 HZ1 LYS 21 HZ1 LYS 21 2.696 10.582 -7.681 164 HZ2 LYS 21 HZ2 LYS 21 2.871 12.196 -7.200 165 HZ3 LYS 21 HZ3 LYS 21 1.889 11.151 -6.302 166 H ALA 22 HN ALA 22 1.577 8.416 -1.444 167 HA ALA 22 HA ALA 22 3.518 7.708 0.450 168 HB1 ALA 22 HB1 ALA 22 1.734 6.539 1.621 169 HB2 ALA 22 HB2 ALA 22 0.717 6.600 0.183 170 HB3 ALA 22 HB3 ALA 22 1.162 8.090 1.013 171 H TYR 23 HN TYR 23 1.908 5.829 -2.048 172 HA TYR 23 HA TYR 23 3.111 3.355 -1.414 173 HB2 TYR 23 HB2 TYR 23 1.339 2.937 -2.743 174 HB3 TYR 23 HB1 TYR 23 1.477 4.469 -3.600 175 HD1 TYR 23 HD2 TYR 23 2.872 1.021 -3.427 176 HD2 TYR 23 HD1 TYR 23 2.407 4.552 -5.754 177 HE1 TYR 23 HE2 TYR 23 3.747 -0.167 -5.392 178 HE2 TYR 23 HE1 TYR 23 3.280 3.375 -7.726 179 HH TYR 23 HH TYR 23 3.593 0.028 -7.877 180 H ARG 24 HN ARG 24 3.973 5.840 -3.827 181 HA ARG 24 HA ARG 24 6.200 4.377 -4.797 182 HB2 ARG 24 HB2 ARG 24 5.131 7.137 -5.221 183 HB3 ARG 24 HB1 ARG 24 6.824 6.833 -5.631 184 HG2 ARG 24 HG2 ARG 24 6.238 5.136 -7.169 185 HG3 ARG 24 HG1 ARG 24 4.565 5.123 -6.610 186 HD2 ARG 24 HD2 ARG 24 4.247 7.366 -7.445 187 HD3 ARG 24 HD1 ARG 24 5.932 7.439 -7.960 188 HE ARG 24 HE ARG 24 5.448 5.703 -9.585 189 HH11 ARG 24 HH11 ARG 24 2.680 7.304 -8.167 190 HH12 ARG 24 HH12 ARG 24 1.601 6.871 -9.456 191 HH21 ARG 24 HH21 ARG 24 4.025 5.110 -11.270 192 HH22 ARG 24 HH22 ARG 24 2.368 5.633 -11.227 193 H ARG 25 HN ARG 25 5.894 6.924 -2.374 194 HA ARG 25 HA ARG 25 8.641 7.252 -1.845 195 HB2 ARG 25 HB2 ARG 25 7.296 8.866 -0.844 196 HB3 ARG 25 HB1 ARG 25 6.128 7.684 -0.272 197 HG2 ARG 25 HG2 ARG 25 7.886 6.886 1.337 198 HG3 ARG 25 HG1 ARG 25 8.838 8.298 0.869 199 HD2 ARG 25 HD2 ARG 25 7.377 9.775 1.857 200 HD3 ARG 25 HD1 ARG 25 6.004 8.673 1.722 201 HE ARG 25 HE ARG 25 8.200 8.356 3.679 202 HH11 ARG 25 HH11 ARG 25 4.822 8.215 2.800 203 HH12 ARG 25 HH12 ARG 25 4.338 7.406 4.264 204 HH21 ARG 25 HH21 ARG 25 7.566 7.282 5.618 205 HH22 ARG 25 HH22 ARG 25 5.885 6.915 5.868 206 H LYS 26 HN LYS 26 6.254 5.013 -0.478 207 HA LYS 26 HA LYS 26 7.982 3.802 1.395 208 HB2 LYS 26 HB2 LYS 26 5.488 3.742 1.390 209 HB3 LYS 26 HB1 LYS 26 5.555 2.664 0.006 210 HG2 LYS 26 HG2 LYS 26 6.817 1.054 1.399 211 HG3 LYS 26 HG1 LYS 26 6.532 2.108 2.793 212 HD2 LYS 26 HD2 LYS 26 4.454 0.785 1.067 213 HD3 LYS 26 HD1 LYS 26 4.855 0.359 2.734 214 HE2 LYS 26 HE2 LYS 26 3.661 2.967 1.784 215 HE3 LYS 26 HE1 LYS 26 2.799 1.675 2.613 216 HZ1 LYS 26 HZ1 LYS 26 5.103 3.092 3.814 217 HZ2 LYS 26 HZ2 LYS 26 3.983 2.089 4.591 218 HZ3 LYS 26 HZ3 LYS 26 3.503 3.612 4.011 219 H ALA 27 HN ALA 27 7.016 2.991 -1.894 220 HA ALA 27 HA ALA 27 8.500 0.637 -2.225 221 HB1 ALA 27 HB1 ALA 27 8.052 2.543 -4.485 222 HB2 ALA 27 HB2 ALA 27 6.685 1.730 -3.734 223 HB3 ALA 27 HB3 ALA 27 7.975 0.780 -4.479 224 H LEU 28 HN LEU 28 9.375 4.020 -2.610 225 HA LEU 28 HA LEU 28 11.834 3.602 -3.932 226 HB2 LEU 28 HB2 LEU 28 10.307 5.807 -3.084 227 HB3 LEU 28 HB1 LEU 28 11.882 5.991 -2.331 228 HG LEU 28 HG LEU 28 12.901 5.708 -4.616 229 HD11 LEU 28 HD11 LEU 28 10.128 6.228 -5.645 230 HD12 LEU 28 HD12 LEU 28 10.782 4.601 -5.489 231 HD13 LEU 28 HD13 LEU 28 11.573 5.768 -6.550 232 HD21 LEU 28 HD21 LEU 28 12.374 7.989 -5.334 233 HD22 LEU 28 HD22 LEU 28 12.620 7.912 -3.590 234 HD23 LEU 28 HD23 LEU 28 10.987 8.015 -4.246 235 H GLN 29 HN GLN 29 10.977 3.812 -0.512 236 HA GLN 29 HA GLN 29 13.612 3.983 0.482 237 HB2 GLN 29 HB2 GLN 29 11.575 4.459 1.827 238 HB3 GLN 29 HB1 GLN 29 11.223 2.736 1.853 239 HG2 GLN 29 HG2 GLN 29 13.300 2.313 3.044 240 HG3 GLN 29 HG1 GLN 29 13.696 4.029 2.986 241 HE21 GLN 29 HE21 GLN 29 13.393 2.291 5.263 242 HE22 GLN 29 HE22 GLN 29 12.148 2.982 6.247 243 H TRP 30 HN TRP 30 11.629 1.256 -0.458 244 HA TRP 30 HA TRP 30 13.812 -0.587 0.239 245 HB2 TRP 30 HB2 TRP 30 10.875 -1.095 -0.263 246 HB3 TRP 30 HB1 TRP 30 12.067 -2.374 -0.053 247 HD1 TRP 30 HD1 TRP 30 9.950 0.067 1.895 248 HE1 TRP 30 HE1 TRP 30 10.306 -0.317 4.418 249 HE3 TRP 30 HE3 TRP 30 13.974 -3.096 1.676 250 HZ2 TRP 30 HZ2 TRP 30 12.072 -1.754 6.087 251 HZ3 TRP 30 HZ3 TRP 30 14.936 -3.923 3.787 252 HH2 TRP 30 HH2 TRP 30 14.005 -3.265 5.944 253 H HIS 31 HN HIS 31 13.466 1.227 -2.138 254 HA HIS 31 HA HIS 31 12.971 -0.404 -4.423 255 HB2 HIS 31 HB2 HIS 31 13.230 2.309 -3.927 256 HB3 HIS 31 HB1 HIS 31 14.700 1.939 -4.821 257 HD1 HIS 31 HD1 HIS 31 14.448 2.225 -7.271 258 HD2 HIS 31 HD2 HIS 31 10.847 1.238 -5.422 259 HE1 HIS 31 HE1 HIS 31 12.711 2.269 -9.092 260 HE2 HIS 31 HE2 HIS 31 10.579 1.494 -7.981 261 HA PRO 32 HA PRO 32 16.798 -2.571 -4.910 262 HB2 PRO 32 HB2 PRO 32 17.345 -2.039 -7.592 263 HB3 PRO 32 HB1 PRO 32 16.330 -3.353 -6.992 264 HG2 PRO 32 HG2 PRO 32 15.540 -0.667 -8.031 265 HG3 PRO 32 HG1 PRO 32 14.763 -2.242 -8.283 266 HD2 PRO 32 HD2 PRO 32 13.742 -0.475 -6.563 267 HD3 PRO 32 HD1 PRO 32 13.754 -2.211 -6.174 268 H ASP 33 HN ASP 33 16.586 0.700 -6.125 269 HA ASP 33 HA ASP 33 19.379 1.196 -6.287 270 HB2 ASP 33 HB2 ASP 33 17.267 3.292 -5.809 271 HB3 ASP 33 HB1 ASP 33 18.803 3.470 -6.651 272 H LYS 34 HN LYS 34 17.124 1.120 -3.679 273 HA LYS 34 HA LYS 34 18.973 2.581 -1.932 274 HB2 LYS 34 HB2 LYS 34 16.484 3.343 -2.460 275 HB3 LYS 34 HB1 LYS 34 16.122 2.184 -1.184 276 HG2 LYS 34 HG2 LYS 34 16.333 4.343 -0.194 277 HG3 LYS 34 HG1 LYS 34 17.747 3.387 0.271 278 HD2 LYS 34 HD2 LYS 34 18.761 5.342 -0.379 279 HD3 LYS 34 HD1 LYS 34 18.772 4.422 -1.894 280 HE2 LYS 34 HE2 LYS 34 18.047 6.690 -2.327 281 HE3 LYS 34 HE1 LYS 34 16.707 5.573 -2.581 282 HZ1 LYS 34 HZ1 LYS 34 16.092 7.612 -1.348 283 HZ2 LYS 34 HZ2 LYS 34 17.124 7.131 -0.086 284 HZ3 LYS 34 HZ3 LYS 34 15.775 6.189 -0.479 285 H ASN 35 HN ASN 35 17.988 -0.530 -2.584 286 HA ASN 35 HA ASN 35 17.968 -1.260 0.258 287 HB2 ASN 35 HB2 ASN 35 16.897 -3.358 -0.360 288 HB3 ASN 35 HB1 ASN 35 15.983 -1.998 -1.000 289 HD21 ASN 35 HD21 ASN 35 14.954 -3.171 -2.510 290 HD22 ASN 35 HD22 ASN 35 15.724 -3.840 -3.912 291 HA PRO 36 HA PRO 36 21.918 -3.060 -0.339 292 HB2 PRO 36 HB2 PRO 36 22.259 -3.915 2.210 293 HB3 PRO 36 HB1 PRO 36 22.317 -2.213 1.746 294 HG2 PRO 36 HG2 PRO 36 20.276 -3.652 3.267 295 HG3 PRO 36 HG1 PRO 36 20.549 -1.908 3.131 296 HD2 PRO 36 HD2 PRO 36 18.609 -3.559 1.746 297 HD3 PRO 36 HD1 PRO 36 18.775 -1.792 1.732 298 H ASP 37 HN ASP 37 21.335 -5.300 2.180 299 HA ASP 37 HA ASP 37 21.514 -7.452 0.199 300 HB2 ASP 37 HB2 ASP 37 22.170 -7.377 3.135 301 HB3 ASP 37 HB1 ASP 37 22.187 -8.857 2.181 302 H ASN 38 HN ASN 38 19.187 -5.988 2.061 303 HA ASN 38 HA ASN 38 17.675 -8.448 2.477 304 HB2 ASN 38 HB2 ASN 38 17.063 -5.592 3.271 305 HB3 ASN 38 HB1 ASN 38 16.004 -6.959 3.593 306 HD21 ASN 38 HD21 ASN 38 18.831 -5.256 4.546 307 HD22 ASN 38 HD22 ASN 38 19.209 -6.221 5.932 308 H LYS 39 HN LYS 39 16.910 -9.134 0.571 309 HA LYS 39 HA LYS 39 15.480 -7.221 -1.143 310 HB2 LYS 39 HB2 LYS 39 16.231 -10.092 -1.722 311 HB3 LYS 39 HB1 LYS 39 15.584 -8.926 -2.868 312 HG2 LYS 39 HG2 LYS 39 18.262 -8.741 -1.502 313 HG3 LYS 39 HG1 LYS 39 17.982 -9.274 -3.160 314 HD2 LYS 39 HD2 LYS 39 16.995 -7.058 -3.661 315 HD3 LYS 39 HD1 LYS 39 17.406 -6.539 -2.025 316 HE2 LYS 39 HE2 LYS 39 19.083 -5.777 -3.608 317 HE3 LYS 39 HE1 LYS 39 19.776 -6.958 -2.496 318 HZ1 LYS 39 HZ1 LYS 39 20.518 -7.447 -4.697 319 HZ2 LYS 39 HZ2 LYS 39 18.934 -7.425 -5.305 320 HZ3 LYS 39 HZ3 LYS 39 19.417 -8.657 -4.247 321 H GLU 40 HN GLU 40 15.151 -10.010 0.857 322 HA GLU 40 HA GLU 40 12.609 -10.928 0.155 323 HB2 GLU 40 HB2 GLU 40 14.230 -12.035 1.725 324 HB3 GLU 40 HB1 GLU 40 13.786 -10.844 2.939 325 HG2 GLU 40 HG2 GLU 40 11.362 -11.695 2.409 326 HG3 GLU 40 HG1 GLU 40 12.231 -13.127 1.861 327 H PHE 41 HN PHE 41 13.617 -8.459 2.459 328 HA PHE 41 HA PHE 41 10.988 -7.793 3.308 329 HB2 PHE 41 HB2 PHE 41 13.590 -6.276 3.525 330 HB3 PHE 41 HB1 PHE 41 12.083 -5.776 4.286 331 HD1 PHE 41 HD1 PHE 41 14.793 -8.242 4.320 332 HD2 PHE 41 HD2 PHE 41 11.209 -6.925 6.201 333 HE1 PHE 41 HE1 PHE 41 15.292 -9.668 6.261 334 HE2 PHE 41 HE2 PHE 41 11.706 -8.345 8.147 335 HZ PHE 41 HZ PHE 41 13.748 -9.719 8.178 336 H ALA 42 HN ALA 42 13.153 -6.597 0.826 337 HA ALA 42 HA ALA 42 11.722 -4.267 0.155 338 HB1 ALA 42 HB1 ALA 42 13.589 -5.969 -1.490 339 HB2 ALA 42 HB2 ALA 42 13.992 -4.514 -0.572 340 HB3 ALA 42 HB3 ALA 42 12.962 -4.402 -1.998 341 H GLU 43 HN GLU 43 11.565 -7.597 -1.147 342 HA GLU 43 HA GLU 43 9.553 -6.938 -3.045 343 HB2 GLU 43 HB2 GLU 43 9.250 -9.327 -3.368 344 HB3 GLU 43 HB1 GLU 43 10.961 -8.935 -3.324 345 HG2 GLU 43 HG2 GLU 43 11.172 -9.819 -1.116 346 HG3 GLU 43 HG1 GLU 43 9.427 -10.025 -0.979 347 H LYS 44 HN LYS 44 9.458 -8.182 0.280 348 HA LYS 44 HA LYS 44 6.700 -8.647 0.442 349 HB2 LYS 44 HB2 LYS 44 8.779 -7.930 2.479 350 HB3 LYS 44 HB1 LYS 44 7.085 -7.996 2.939 351 HG2 LYS 44 HG2 LYS 44 7.011 -10.333 2.105 352 HG3 LYS 44 HG1 LYS 44 8.753 -10.240 1.832 353 HD2 LYS 44 HD2 LYS 44 9.181 -9.925 4.153 354 HD3 LYS 44 HD1 LYS 44 7.467 -9.692 4.501 355 HE2 LYS 44 HE2 LYS 44 8.062 -11.895 5.201 356 HE3 LYS 44 HE1 LYS 44 7.071 -12.039 3.752 357 HZ1 LYS 44 HZ1 LYS 44 10.027 -12.300 3.928 358 HZ2 LYS 44 HZ2 LYS 44 9.159 -12.279 2.468 359 HZ3 LYS 44 HZ3 LYS 44 8.906 -13.530 3.586 360 H LYS 45 HN LYS 45 8.570 -5.712 1.114 361 HA LYS 45 HA LYS 45 6.373 -4.153 1.968 362 HB2 LYS 45 HB2 LYS 45 9.128 -3.451 0.981 363 HB3 LYS 45 HB1 LYS 45 7.955 -2.210 1.409 364 HG2 LYS 45 HG2 LYS 45 9.090 -4.333 3.216 365 HG3 LYS 45 HG1 LYS 45 9.372 -2.592 3.293 366 HD2 LYS 45 HD2 LYS 45 6.918 -2.306 3.669 367 HD3 LYS 45 HD1 LYS 45 6.803 -4.056 3.797 368 HE2 LYS 45 HE2 LYS 45 8.320 -4.036 5.687 369 HE3 LYS 45 HE1 LYS 45 8.493 -2.290 5.550 370 HZ1 LYS 45 HZ1 LYS 45 6.143 -2.043 6.032 371 HZ2 LYS 45 HZ2 LYS 45 6.909 -2.901 7.279 372 HZ3 LYS 45 HZ3 LYS 45 5.958 -3.724 6.142 373 H PHE 46 HN PHE 46 7.831 -4.752 -1.150 374 HA PHE 46 HA PHE 46 6.390 -2.769 -2.577 375 HB2 PHE 46 HB2 PHE 46 8.402 -3.821 -3.504 376 HB3 PHE 46 HB1 PHE 46 7.577 -5.376 -3.560 377 HD1 PHE 46 HD1 PHE 46 7.364 -1.902 -4.871 378 HD2 PHE 46 HD2 PHE 46 6.436 -6.013 -5.475 379 HE1 PHE 46 HE1 PHE 46 6.554 -1.383 -7.137 380 HE2 PHE 46 HE2 PHE 46 5.626 -5.500 -7.741 381 HZ PHE 46 HZ PHE 46 5.682 -3.185 -8.574 382 H LYS 47 HN LYS 47 5.738 -6.161 -1.822 383 HA LYS 47 HA LYS 47 3.400 -6.366 -3.419 384 HB2 LYS 47 HB2 LYS 47 4.202 -7.972 -0.990 385 HB3 LYS 47 HB1 LYS 47 2.923 -8.398 -2.119 386 HG2 LYS 47 HG2 LYS 47 4.514 -8.688 -3.895 387 HG3 LYS 47 HG1 LYS 47 5.823 -8.106 -2.864 388 HD2 LYS 47 HD2 LYS 47 5.255 -10.025 -1.308 389 HD3 LYS 47 HD1 LYS 47 4.248 -10.654 -2.613 390 HE2 LYS 47 HE2 LYS 47 6.190 -10.732 -4.086 391 HE3 LYS 47 HE1 LYS 47 7.202 -10.069 -2.801 392 HZ1 LYS 47 HZ1 LYS 47 5.883 -12.723 -2.893 393 HZ2 LYS 47 HZ2 LYS 47 6.510 -12.068 -1.460 394 HZ3 LYS 47 HZ3 LYS 47 7.541 -12.378 -2.768 395 H GLU 48 HN GLU 48 3.920 -5.679 0.031 396 HA GLU 48 HA GLU 48 1.163 -5.673 0.671 397 HB2 GLU 48 HB2 GLU 48 1.834 -4.640 2.806 398 HB3 GLU 48 HB1 GLU 48 2.792 -6.058 2.414 399 HG2 GLU 48 HG2 GLU 48 4.621 -4.634 1.685 400 HG3 GLU 48 HG1 GLU 48 3.651 -3.202 2.035 401 H VAL 49 HN VAL 49 3.392 -3.079 -0.277 402 HA VAL 49 HA VAL 49 1.462 -1.036 0.202 403 HB VAL 49 HB VAL 49 3.861 -0.494 0.111 404 HG11 VAL 49 HG11 VAL 49 3.633 -0.910 -2.865 405 HG12 VAL 49 HG12 VAL 49 4.482 -1.985 -1.754 406 HG13 VAL 49 HG13 VAL 49 5.050 -0.331 -1.985 407 HG21 VAL 49 HG21 VAL 49 3.635 1.599 -0.972 408 HG22 VAL 49 HG22 VAL 49 2.048 1.180 -0.325 409 HG23 VAL 49 HG23 VAL 49 2.380 0.978 -2.041 410 H ALA 50 HN ALA 50 2.331 -3.007 -2.590 411 HA ALA 50 HA ALA 50 0.863 -1.568 -4.499 412 HB1 ALA 50 HB1 ALA 50 1.048 -3.494 -5.913 413 HB2 ALA 50 HB2 ALA 50 1.458 -4.488 -4.525 414 HB3 ALA 50 HB3 ALA 50 2.570 -3.238 -5.058 415 H GLU 51 HN GLU 51 -0.062 -4.316 -2.445 416 HA GLU 51 HA GLU 51 -2.669 -4.509 -3.578 417 HB2 GLU 51 HB2 GLU 51 -3.142 -6.060 -1.743 418 HB3 GLU 51 HB1 GLU 51 -1.607 -6.433 -2.509 419 HG2 GLU 51 HG2 GLU 51 -0.427 -5.329 -0.665 420 HG3 GLU 51 HG1 GLU 51 -1.969 -4.968 0.098 421 H ALA 52 HN ALA 52 -1.299 -2.928 -0.761 422 HA ALA 52 HA ALA 52 -3.823 -2.230 0.369 423 HB1 ALA 52 HB1 ALA 52 -1.722 -2.610 1.646 424 HB2 ALA 52 HB2 ALA 52 -2.570 -1.115 2.053 425 HB3 ALA 52 HB3 ALA 52 -1.132 -1.063 1.031 426 H TYR 53 HN TYR 53 -1.419 -0.492 -1.587 427 HA TYR 53 HA TYR 53 -2.799 2.003 -1.387 428 HB2 TYR 53 HB2 TYR 53 -0.945 2.818 -2.341 429 HB3 TYR 53 HB1 TYR 53 -0.304 1.183 -2.337 430 HD1 TYR 53 HD2 TYR 53 -0.317 -0.161 -4.404 431 HD2 TYR 53 HD1 TYR 53 -1.722 3.854 -4.370 432 HE1 TYR 53 HE2 TYR 53 -0.189 -0.102 -6.860 433 HE2 TYR 53 HE1 TYR 53 -1.599 3.925 -6.823 434 HH TYR 53 HH TYR 53 -1.232 1.157 -8.722 435 H GLU 54 HN GLU 54 -2.877 -0.726 -3.607 436 HA GLU 54 HA GLU 54 -4.377 0.515 -5.646 437 HB2 GLU 54 HB2 GLU 54 -3.179 -1.633 -5.930 438 HB3 GLU 54 HB1 GLU 54 -4.348 -2.410 -4.874 439 HG2 GLU 54 HG2 GLU 54 -6.116 -2.018 -6.448 440 HG3 GLU 54 HG1 GLU 54 -5.046 -1.067 -7.475 441 H VAL 55 HN VAL 55 -5.370 -1.377 -2.808 442 HA VAL 55 HA VAL 55 -8.136 -1.188 -3.396 443 HB VAL 55 HB VAL 55 -7.292 -2.988 -1.998 444 HG11 VAL 55 HG11 VAL 55 -5.558 -1.797 -0.788 445 HG12 VAL 55 HG12 VAL 55 -6.666 -2.604 0.318 446 HG13 VAL 55 HG13 VAL 55 -6.782 -0.864 0.074 447 HG21 VAL 55 HG21 VAL 55 -9.012 -2.932 -0.262 448 HG22 VAL 55 HG22 VAL 55 -9.638 -2.371 -1.814 449 HG23 VAL 55 HG23 VAL 55 -9.246 -1.206 -0.549 450 H LEU 56 HN LEU 56 -5.978 0.761 -1.360 451 HA LEU 56 HA LEU 56 -8.129 2.245 -0.218 452 HB2 LEU 56 HB2 LEU 56 -6.048 1.945 0.986 453 HB3 LEU 56 HB1 LEU 56 -5.174 2.801 -0.269 454 HG LEU 56 HG LEU 56 -6.388 4.868 0.299 455 HD11 LEU 56 HD11 LEU 56 -7.752 4.980 2.309 456 HD12 LEU 56 HD12 LEU 56 -7.586 3.239 2.515 457 HD13 LEU 56 HD13 LEU 56 -8.451 3.878 1.121 458 HD21 LEU 56 HD21 LEU 56 -5.257 5.318 2.367 459 HD22 LEU 56 HD22 LEU 56 -4.238 4.288 1.362 460 HD23 LEU 56 HD23 LEU 56 -5.130 3.592 2.713 461 H SER 57 HN SER 57 -6.126 2.680 -3.043 462 HA SER 57 HA SER 57 -6.829 5.464 -3.317 463 HB2 SER 57 HB2 SER 57 -4.634 4.603 -4.087 464 HB3 SER 57 HB1 SER 57 -5.461 3.621 -5.292 465 HG SER 57 HG SER 57 -6.396 5.941 -5.760 466 H ASP 58 HN ASP 58 -8.223 2.474 -4.195 467 HA ASP 58 HA ASP 58 -9.801 3.782 -6.316 468 HB2 ASP 58 HB2 ASP 58 -8.403 1.910 -7.112 469 HB3 ASP 58 HB1 ASP 58 -9.234 0.830 -5.994 470 H LYS 59 HN LYS 59 -11.900 4.014 -6.004 471 HA LYS 59 HA LYS 59 -12.983 3.438 -3.462 472 HB2 LYS 59 HB2 LYS 59 -13.938 5.344 -4.188 473 HB3 LYS 59 HB1 LYS 59 -13.785 4.903 -5.878 474 HG2 LYS 59 HG2 LYS 59 -15.845 3.532 -4.232 475 HG3 LYS 59 HG1 LYS 59 -16.129 5.196 -4.754 476 HD2 LYS 59 HD2 LYS 59 -15.331 2.969 -6.616 477 HD3 LYS 59 HD1 LYS 59 -17.013 3.424 -6.308 478 HE2 LYS 59 HE2 LYS 59 -14.848 5.179 -7.461 479 HE3 LYS 59 HE1 LYS 59 -16.193 4.463 -8.347 480 HZ1 LYS 59 HZ1 LYS 59 -16.305 6.586 -6.276 481 HZ2 LYS 59 HZ2 LYS 59 -17.683 5.752 -6.805 482 HZ3 LYS 59 HZ3 LYS 59 -16.783 6.686 -7.902 483 H HIS 60 HN HIS 60 -13.231 1.851 -6.591 484 HA HIS 60 HA HIS 60 -15.401 0.153 -5.880 485 HB2 HIS 60 HB2 HIS 60 -13.248 -0.127 -7.978 486 HB3 HIS 60 HB1 HIS 60 -14.527 -1.313 -7.762 487 HD1 HIS 60 HD1 HIS 60 -16.939 0.536 -7.402 488 HD2 HIS 60 HD2 HIS 60 -13.979 1.082 -10.277 489 HE1 HIS 60 HE1 HIS 60 -18.023 1.858 -9.256 490 HE2 HIS 60 HE2 HIS 60 -16.268 1.995 -11.065 491 H LYS 61 HN LYS 61 -11.877 -0.205 -5.764 492 HA LYS 61 HA LYS 61 -11.822 -2.777 -4.634 493 HB2 LYS 61 HB2 LYS 61 -9.934 -0.481 -4.705 494 HB3 LYS 61 HB1 LYS 61 -9.620 -1.761 -3.546 495 HG2 LYS 61 HG2 LYS 61 -8.371 -2.123 -5.582 496 HG3 LYS 61 HG1 LYS 61 -9.568 -3.396 -5.360 497 HD2 LYS 61 HD2 LYS 61 -11.030 -2.362 -6.975 498 HD3 LYS 61 HD1 LYS 61 -9.925 -0.996 -7.141 499 HE2 LYS 61 HE2 LYS 61 -9.684 -2.573 -8.979 500 HE3 LYS 61 HE1 LYS 61 -8.207 -2.469 -8.027 501 HZ1 LYS 61 HZ1 LYS 61 -8.637 -4.747 -8.514 502 HZ2 LYS 61 HZ2 LYS 61 -10.238 -4.636 -7.961 503 HZ3 LYS 61 HZ3 LYS 61 -8.953 -4.519 -6.863 504 H ARG 62 HN ARG 62 -12.173 0.405 -3.166 505 HA ARG 62 HA ARG 62 -12.120 -0.348 -0.465 506 HB2 ARG 62 HB2 ARG 62 -13.781 1.815 -1.789 507 HB3 ARG 62 HB1 ARG 62 -13.453 1.696 -0.066 508 HG2 ARG 62 HG2 ARG 62 -11.232 1.918 -2.063 509 HG3 ARG 62 HG1 ARG 62 -12.074 3.343 -1.455 510 HD2 ARG 62 HD2 ARG 62 -10.723 1.276 0.275 511 HD3 ARG 62 HD1 ARG 62 -9.990 2.805 -0.216 512 HE ARG 62 HE ARG 62 -12.146 2.420 1.714 513 HH11 ARG 62 HH11 ARG 62 -10.109 4.632 -0.098 514 HH12 ARG 62 HH12 ARG 62 -10.555 6.017 0.848 515 HH21 ARG 62 HH21 ARG 62 -12.725 4.233 2.961 516 HH22 ARG 62 HH22 ARG 62 -12.066 5.798 2.568 517 H GLU 63 HN GLU 63 -14.751 -0.287 -2.828 518 HA GLU 63 HA GLU 63 -16.799 -1.216 -1.120 519 HB2 GLU 63 HB2 GLU 63 -16.503 -1.613 -4.108 520 HB3 GLU 63 HB1 GLU 63 -17.986 -1.824 -3.189 521 HG2 GLU 63 HG2 GLU 63 -18.012 0.540 -2.647 522 HG3 GLU 63 HG1 GLU 63 -16.487 0.769 -3.500 523 H ILE 64 HN ILE 64 -14.417 -2.846 -3.145 524 HA ILE 64 HA ILE 64 -15.422 -5.464 -2.857 525 HB ILE 64 HB ILE 64 -12.604 -4.528 -3.434 526 HG12 ILE 64 HG12 ILE 64 -14.244 -3.881 -5.134 527 HG13 ILE 64 HG11 ILE 64 -13.153 -5.112 -5.760 528 HG21 ILE 64 HG21 ILE 64 -13.767 -7.300 -3.689 529 HG22 ILE 64 HG22 ILE 64 -12.547 -6.784 -2.525 530 HG23 ILE 64 HG23 ILE 64 -12.171 -6.800 -4.247 531 HD11 ILE 64 HD11 ILE 64 -15.441 -5.517 -6.457 532 HD12 ILE 64 HD12 ILE 64 -15.959 -5.581 -4.771 533 HD13 ILE 64 HD13 ILE 64 -14.865 -6.811 -5.406 534 H TYR 65 HN TYR 65 -12.951 -3.670 -1.006 535 HA TYR 65 HA TYR 65 -12.303 -5.811 0.711 536 HB2 TYR 65 HB2 TYR 65 -10.899 -3.784 0.513 537 HB3 TYR 65 HB1 TYR 65 -12.145 -2.860 1.349 538 HD1 TYR 65 HD2 TYR 65 -9.586 -5.474 1.725 539 HD2 TYR 65 HD1 TYR 65 -12.463 -3.068 3.730 540 HE1 TYR 65 HE2 TYR 65 -8.631 -6.143 3.890 541 HE2 TYR 65 HE1 TYR 65 -11.522 -3.735 5.899 542 HH TYR 65 HH TYR 65 -10.216 -5.736 6.788 543 H ASP 66 HN ASP 66 -14.789 -3.340 0.845 544 HA ASP 66 HA ASP 66 -15.617 -3.747 3.493 545 HB2 ASP 66 HB2 ASP 66 -16.268 -1.819 2.040 546 HB3 ASP 66 HB1 ASP 66 -17.352 -2.894 1.167 547 H ARG 67 HN ARG 67 -16.715 -5.229 0.465 548 HA ARG 67 HA ARG 67 -18.606 -6.898 1.901 549 HB2 ARG 67 HB2 ARG 67 -19.293 -7.667 -0.325 550 HB3 ARG 67 HB1 ARG 67 -19.304 -5.914 -0.206 551 HG2 ARG 67 HG2 ARG 67 -16.849 -6.241 -1.190 552 HG3 ARG 67 HG1 ARG 67 -17.603 -7.700 -1.834 553 HD2 ARG 67 HD2 ARG 67 -18.602 -4.884 -2.184 554 HD3 ARG 67 HD1 ARG 67 -17.765 -5.839 -3.407 555 HE ARG 67 HE ARG 67 -19.749 -7.423 -3.139 556 HH11 ARG 67 HH11 ARG 67 -19.966 -3.961 -2.672 557 HH12 ARG 67 HH12 ARG 67 -21.622 -3.857 -3.181 558 HH21 ARG 67 HH21 ARG 67 -21.921 -7.298 -3.825 559 HH22 ARG 67 HH22 ARG 67 -22.739 -5.760 -3.834 560 H TYR 68 HN TYR 68 -15.644 -7.383 -0.022 561 HA TYR 68 HA TYR 68 -15.887 -10.271 0.368 562 HB2 TYR 68 HB2 TYR 68 -15.494 -9.372 -1.906 563 HB3 TYR 68 HB1 TYR 68 -13.967 -8.693 -1.364 564 HD1 TYR 68 HD2 TYR 68 -15.718 -12.003 -1.372 565 HD2 TYR 68 HD1 TYR 68 -12.065 -9.881 -1.878 566 HE1 TYR 68 HE2 TYR 68 -14.584 -14.105 -1.963 567 HE2 TYR 68 HE1 TYR 68 -10.923 -11.975 -2.468 568 HH TYR 68 HH TYR 68 -11.217 -14.395 -2.075 569 H GLY 69 HN GLY 69 -14.306 -7.646 1.765 570 HA2 GLY 69 HA2 GLY 69 -11.862 -8.776 2.593 571 HA3 GLY 69 HA1 GLY 69 -12.767 -7.528 3.451 572 H ARG 70 HN ARG 70 -15.025 -8.721 4.065 573 HA ARG 70 HA ARG 70 -14.451 -10.360 6.284 574 HB2 ARG 70 HB2 ARG 70 -17.052 -9.794 4.856 575 HB3 ARG 70 HB1 ARG 70 -16.934 -10.635 6.396 576 HG2 ARG 70 HG2 ARG 70 -15.939 -7.838 5.912 577 HG3 ARG 70 HG1 ARG 70 -17.515 -8.240 6.603 578 HD2 ARG 70 HD2 ARG 70 -14.829 -9.003 7.745 579 HD3 ARG 70 HD1 ARG 70 -15.880 -7.721 8.350 580 HE ARG 70 HE ARG 70 -17.295 -10.170 8.282 581 HH11 ARG 70 HH11 ARG 70 -14.732 -8.568 10.083 582 HH12 ARG 70 HH12 ARG 70 -15.074 -9.427 11.558 583 HH21 ARG 70 HH21 ARG 70 -17.732 -11.280 10.217 584 HH22 ARG 70 HH22 ARG 70 -16.769 -10.972 11.630 585 H GLU 71 HN GLU 71 -15.385 -11.078 2.989 586 HA GLU 71 HA GLU 71 -16.003 -13.836 3.532 587 HB2 GLU 71 HB2 GLU 71 -15.628 -12.454 0.867 588 HB3 GLU 71 HB1 GLU 71 -16.379 -14.021 1.135 589 HG2 GLU 71 HG2 GLU 71 -18.156 -12.918 2.434 590 HG3 GLU 71 HG1 GLU 71 -17.419 -11.358 2.076 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -12.582 3.732 9.986 2 H2 MET 1 HT2 MET 1 -12.968 3.726 11.636 3 H3 MET 1 HT3 MET 1 -11.649 2.824 11.067 4 HA MET 1 HA MET 1 -11.863 5.776 10.979 5 HB2 MET 1 HB2 MET 1 -10.299 3.947 12.811 6 HB3 MET 1 HB1 MET 1 -10.018 5.677 12.678 7 HG2 MET 1 HG2 MET 1 -12.290 6.113 13.439 8 HG3 MET 1 HG1 MET 1 -12.583 4.379 13.565 9 HE1 MET 1 HE1 MET 1 -12.408 5.591 17.296 10 HE2 MET 1 HE2 MET 1 -13.393 4.789 16.074 11 HE3 MET 1 HE3 MET 1 -13.035 6.511 15.927 12 H ALA 2 HN ALA 2 -11.296 4.000 8.793 13 HA ALA 2 HA ALA 2 -9.838 3.675 7.103 14 HB1 ALA 2 HB1 ALA 2 -9.809 6.103 7.050 15 HB2 ALA 2 HB2 ALA 2 -8.227 5.440 6.631 16 HB3 ALA 2 HB3 ALA 2 -8.501 6.126 8.234 17 H SER 3 HN SER 3 -9.242 1.717 8.397 18 HA SER 3 HA SER 3 -6.734 1.610 9.729 19 HB2 SER 3 HB2 SER 3 -8.298 -0.597 8.364 20 HB3 SER 3 HB1 SER 3 -6.960 -0.835 9.491 21 HG SER 3 HG SER 3 -8.181 -0.028 11.135 22 H TYR 4 HN TYR 4 -7.309 2.422 6.666 23 HA TYR 4 HA TYR 4 -5.361 0.960 5.209 24 HB2 TYR 4 HB2 TYR 4 -6.592 3.682 4.698 25 HB3 TYR 4 HB1 TYR 4 -5.585 2.803 3.548 26 HD1 TYR 4 HD2 TYR 4 -6.383 0.619 2.636 27 HD2 TYR 4 HD1 TYR 4 -8.897 3.154 4.953 28 HE1 TYR 4 HE2 TYR 4 -8.354 -0.596 1.812 29 HE2 TYR 4 HE1 TYR 4 -10.874 1.942 4.139 30 HH TYR 4 HH TYR 4 -11.563 0.535 2.311 31 H TYR 5 HN TYR 5 -5.220 3.643 7.395 32 HA TYR 5 HA TYR 5 -2.754 4.760 6.720 33 HB2 TYR 5 HB2 TYR 5 -4.348 5.600 8.491 34 HB3 TYR 5 HB1 TYR 5 -3.782 4.301 9.536 35 HD1 TYR 5 HD2 TYR 5 -1.409 4.302 10.317 36 HD2 TYR 5 HD1 TYR 5 -3.085 7.593 8.210 37 HE1 TYR 5 HE2 TYR 5 0.434 5.729 11.092 38 HE2 TYR 5 HE1 TYR 5 -1.246 9.031 8.982 39 HH TYR 5 HH TYR 5 1.582 7.810 10.329 40 H GLU 6 HN GLU 6 -3.589 1.783 8.341 41 HA GLU 6 HA GLU 6 -0.989 1.157 9.303 42 HB2 GLU 6 HB2 GLU 6 -3.373 -0.625 8.798 43 HB3 GLU 6 HB1 GLU 6 -1.936 -1.082 9.703 44 HG2 GLU 6 HG2 GLU 6 -3.675 1.231 10.457 45 HG3 GLU 6 HG1 GLU 6 -3.932 -0.405 11.071 46 H ILE 7 HN ILE 7 -2.870 0.213 6.456 47 HA ILE 7 HA ILE 7 -0.946 -1.672 5.550 48 HB ILE 7 HB ILE 7 -2.284 -1.731 3.440 49 HG12 ILE 7 HG12 ILE 7 -4.668 -0.632 3.913 50 HG13 ILE 7 HG11 ILE 7 -3.682 0.528 4.793 51 HG21 ILE 7 HG21 ILE 7 -4.097 -2.924 4.411 52 HG22 ILE 7 HG22 ILE 7 -3.975 -2.004 5.910 53 HG23 ILE 7 HG23 ILE 7 -2.700 -3.145 5.467 54 HD11 ILE 7 HD11 ILE 7 -4.123 1.295 2.545 55 HD12 ILE 7 HD12 ILE 7 -3.421 -0.179 1.880 56 HD13 ILE 7 HD13 ILE 7 -2.402 0.966 2.752 57 H LEU 8 HN LEU 8 -1.633 1.690 4.728 58 HA LEU 8 HA LEU 8 0.665 1.659 2.909 59 HB2 LEU 8 HB2 LEU 8 -1.481 2.615 2.095 60 HB3 LEU 8 HB1 LEU 8 -1.379 3.840 3.345 61 HG LEU 8 HG LEU 8 0.699 4.695 2.318 62 HD11 LEU 8 HD11 LEU 8 1.464 2.617 1.288 63 HD12 LEU 8 HD12 LEU 8 1.357 3.921 0.104 64 HD13 LEU 8 HD13 LEU 8 0.110 2.676 0.159 65 HD21 LEU 8 HD21 LEU 8 -1.441 5.681 1.726 66 HD22 LEU 8 HD22 LEU 8 -1.655 4.484 0.449 67 HD23 LEU 8 HD23 LEU 8 -0.355 5.670 0.335 68 H ASP 9 HN ASP 9 -0.444 4.479 4.619 69 HA ASP 9 HA ASP 9 1.050 4.548 6.891 70 HB2 ASP 9 HB2 ASP 9 3.048 5.874 6.376 71 HB3 ASP 9 HB1 ASP 9 3.100 4.315 5.568 72 H VAL 10 HN VAL 10 -0.489 6.106 4.280 73 HA VAL 10 HA VAL 10 -1.177 8.332 6.082 74 HB VAL 10 HB VAL 10 -1.748 9.659 4.077 75 HG11 VAL 10 HG11 VAL 10 0.441 9.932 5.089 76 HG12 VAL 10 HG12 VAL 10 0.535 10.129 3.340 77 HG13 VAL 10 HG13 VAL 10 1.084 8.629 4.089 78 HG21 VAL 10 HG21 VAL 10 -2.230 7.850 2.525 79 HG22 VAL 10 HG22 VAL 10 -0.532 7.373 2.532 80 HG23 VAL 10 HG23 VAL 10 -1.008 8.932 1.861 81 HA PRO 11 HA PRO 11 -5.315 6.803 5.710 82 HB2 PRO 11 HB2 PRO 11 -6.666 8.852 6.769 83 HB3 PRO 11 HB1 PRO 11 -5.532 7.902 7.734 84 HG2 PRO 11 HG2 PRO 11 -5.216 10.616 6.563 85 HG3 PRO 11 HG1 PRO 11 -4.576 9.964 8.079 86 HD2 PRO 11 HD2 PRO 11 -3.188 10.225 5.642 87 HD3 PRO 11 HD1 PRO 11 -2.656 9.309 7.064 88 H ARG 12 HN ARG 12 -7.468 7.313 4.840 89 HA ARG 12 HA ARG 12 -7.209 8.052 2.107 90 HB2 ARG 12 HB2 ARG 12 -9.720 7.694 2.119 91 HB3 ARG 12 HB1 ARG 12 -8.716 6.307 2.513 92 HG2 ARG 12 HG2 ARG 12 -9.154 6.734 4.903 93 HG3 ARG 12 HG1 ARG 12 -10.218 8.064 4.442 94 HD2 ARG 12 HD2 ARG 12 -10.578 5.173 3.663 95 HD3 ARG 12 HD1 ARG 12 -11.468 6.011 4.933 96 HE ARG 12 HE ARG 12 -11.672 7.287 2.364 97 HH11 ARG 12 HH11 ARG 12 -12.999 4.796 4.446 98 HH12 ARG 12 HH12 ARG 12 -14.559 4.810 3.670 99 HH21 ARG 12 HH21 ARG 12 -13.699 7.278 1.318 100 HH22 ARG 12 HH22 ARG 12 -14.951 6.202 1.877 101 H SER 13 HN SER 13 -7.718 9.905 4.792 102 HA SER 13 HA SER 13 -9.392 11.954 3.980 103 HB2 SER 13 HB2 SER 13 -8.254 11.726 6.220 104 HB3 SER 13 HB1 SER 13 -6.779 12.327 5.465 105 HG SER 13 HG SER 13 -7.726 14.104 6.282 106 H ALA 14 HN ALA 14 -6.112 11.202 3.041 107 HA ALA 14 HA ALA 14 -5.677 13.613 1.547 108 HB1 ALA 14 HB1 ALA 14 -3.646 12.521 0.794 109 HB2 ALA 14 HB2 ALA 14 -4.210 10.977 1.428 110 HB3 ALA 14 HB3 ALA 14 -3.835 12.300 2.533 111 H SER 15 HN SER 15 -5.757 13.873 -0.685 112 HA SER 15 HA SER 15 -7.725 12.438 -2.111 113 HB2 SER 15 HB2 SER 15 -6.594 13.700 -4.105 114 HB3 SER 15 HB1 SER 15 -7.438 14.618 -2.858 115 HG SER 15 HG SER 15 -5.632 15.572 -2.432 116 H ALA 16 HN ALA 16 -7.397 11.229 -4.144 117 HA ALA 16 HA ALA 16 -6.077 8.882 -3.543 118 HB1 ALA 16 HB1 ALA 16 -6.563 8.156 -5.787 119 HB2 ALA 16 HB2 ALA 16 -6.821 9.822 -6.292 120 HB3 ALA 16 HB3 ALA 16 -7.924 9.075 -5.141 121 H ASP 17 HN ASP 17 -4.932 11.513 -5.631 122 HA ASP 17 HA ASP 17 -2.636 10.198 -6.595 123 HB2 ASP 17 HB2 ASP 17 -3.269 13.128 -6.286 124 HB3 ASP 17 HB1 ASP 17 -1.786 12.544 -7.026 125 H ASP 18 HN ASP 18 -3.222 12.045 -3.694 126 HA ASP 18 HA ASP 18 -0.562 12.353 -2.826 127 HB2 ASP 18 HB2 ASP 18 -2.780 13.376 -1.908 128 HB3 ASP 18 HB1 ASP 18 -2.847 11.918 -0.922 129 H ILE 19 HN ILE 19 -2.954 9.801 -2.309 130 HA ILE 19 HA ILE 19 -1.388 8.112 -0.693 131 HB ILE 19 HB ILE 19 -3.752 7.662 -2.468 132 HG12 ILE 19 HG12 ILE 19 -4.590 6.761 -0.191 133 HG13 ILE 19 HG11 ILE 19 -3.173 7.575 0.464 134 HG21 ILE 19 HG21 ILE 19 -2.370 5.665 -2.791 135 HG22 ILE 19 HG22 ILE 19 -3.852 5.313 -1.904 136 HG23 ILE 19 HG23 ILE 19 -2.318 5.431 -1.043 137 HD11 ILE 19 HD11 ILE 19 -5.596 8.723 -0.814 138 HD12 ILE 19 HD12 ILE 19 -4.069 9.593 -0.890 139 HD13 ILE 19 HD13 ILE 19 -4.776 9.193 0.680 140 H LYS 20 HN LYS 20 -1.683 8.416 -4.197 141 HA LYS 20 HA LYS 20 -0.125 6.231 -4.978 142 HB2 LYS 20 HB2 LYS 20 -0.253 8.936 -6.320 143 HB3 LYS 20 HB1 LYS 20 0.270 7.435 -7.067 144 HG2 LYS 20 HG2 LYS 20 -1.953 6.532 -6.916 145 HG3 LYS 20 HG1 LYS 20 -2.507 7.954 -6.024 146 HD2 LYS 20 HD2 LYS 20 -1.829 9.340 -7.997 147 HD3 LYS 20 HD1 LYS 20 -1.535 7.840 -8.875 148 HE2 LYS 20 HE2 LYS 20 -3.851 7.205 -8.653 149 HE3 LYS 20 HE1 LYS 20 -4.175 8.613 -7.639 150 HZ1 LYS 20 HZ1 LYS 20 -4.898 9.053 -9.872 151 HZ2 LYS 20 HZ2 LYS 20 -3.385 8.641 -10.504 152 HZ3 LYS 20 HZ3 LYS 20 -3.550 10.028 -9.541 153 H LYS 21 HN LYS 21 0.793 9.514 -4.042 154 HA LYS 21 HA LYS 21 3.541 9.206 -4.676 155 HB2 LYS 21 HB2 LYS 21 2.172 11.391 -4.265 156 HB3 LYS 21 HB1 LYS 21 2.593 11.128 -2.576 157 HG2 LYS 21 HG2 LYS 21 4.210 12.602 -3.512 158 HG3 LYS 21 HG1 LYS 21 4.989 11.036 -3.263 159 HD2 LYS 21 HD2 LYS 21 4.132 10.673 -5.759 160 HD3 LYS 21 HD1 LYS 21 4.272 12.431 -5.782 161 HE2 LYS 21 HE2 LYS 21 6.432 10.439 -5.129 162 HE3 LYS 21 HE1 LYS 21 6.316 11.428 -6.581 163 HZ1 LYS 21 HZ1 LYS 21 6.698 12.465 -3.821 164 HZ2 LYS 21 HZ2 LYS 21 6.631 13.401 -5.231 165 HZ3 LYS 21 HZ3 LYS 21 7.912 12.315 -4.993 166 H ALA 22 HN ALA 22 1.640 8.665 -1.750 167 HA ALA 22 HA ALA 22 3.808 8.168 -0.009 168 HB1 ALA 22 HB1 ALA 22 2.207 7.160 1.473 169 HB2 ALA 22 HB2 ALA 22 1.050 6.954 0.158 170 HB3 ALA 22 HB3 ALA 22 1.464 8.572 0.723 171 H TYR 23 HN TYR 23 1.999 6.140 -2.229 172 HA TYR 23 HA TYR 23 3.265 3.703 -1.604 173 HB2 TYR 23 HB2 TYR 23 1.436 3.257 -2.860 174 HB3 TYR 23 HB1 TYR 23 1.560 4.759 -3.773 175 HD1 TYR 23 HD2 TYR 23 2.925 1.307 -3.518 176 HD2 TYR 23 HD1 TYR 23 2.460 4.765 -5.952 177 HE1 TYR 23 HE2 TYR 23 3.754 0.047 -5.458 178 HE2 TYR 23 HE1 TYR 23 3.286 3.513 -7.898 179 HH TYR 23 HH TYR 23 3.639 0.125 -7.891 180 H ARG 24 HN ARG 24 4.048 6.263 -3.920 181 HA ARG 24 HA ARG 24 6.195 4.861 -5.136 182 HB2 ARG 24 HB2 ARG 24 5.475 7.796 -5.093 183 HB3 ARG 24 HB1 ARG 24 6.848 7.157 -5.989 184 HG2 ARG 24 HG2 ARG 24 5.430 5.866 -7.387 185 HG3 ARG 24 HG1 ARG 24 4.024 6.210 -6.377 186 HD2 ARG 24 HD2 ARG 24 3.911 7.598 -8.324 187 HD3 ARG 24 HD1 ARG 24 4.281 8.605 -6.923 188 HE ARG 24 HE ARG 24 6.571 8.725 -7.708 189 HH11 ARG 24 HH11 ARG 24 4.273 7.396 -9.987 190 HH12 ARG 24 HH12 ARG 24 5.171 7.907 -11.389 191 HH21 ARG 24 HH21 ARG 24 7.746 9.416 -9.542 192 HH22 ARG 24 HH22 ARG 24 7.138 9.064 -11.133 193 H ARG 25 HN ARG 25 6.062 7.167 -2.442 194 HA ARG 25 HA ARG 25 8.887 7.382 -2.193 195 HB2 ARG 25 HB2 ARG 25 8.459 8.408 -0.012 196 HB3 ARG 25 HB1 ARG 25 7.408 9.085 -1.246 197 HG2 ARG 25 HG2 ARG 25 5.586 7.627 -0.444 198 HG3 ARG 25 HG1 ARG 25 6.650 7.052 0.840 199 HD2 ARG 25 HD2 ARG 25 5.796 9.915 0.419 200 HD3 ARG 25 HD1 ARG 25 5.108 8.808 1.604 201 HE ARG 25 HE ARG 25 7.962 9.561 1.673 202 HH11 ARG 25 HH11 ARG 25 4.831 9.251 3.229 203 HH12 ARG 25 HH12 ARG 25 5.423 9.713 4.799 204 HH21 ARG 25 HH21 ARG 25 8.737 10.170 3.728 205 HH22 ARG 25 HH22 ARG 25 7.651 10.223 5.083 206 H LYS 26 HN LYS 26 6.473 5.240 -0.790 207 HA LYS 26 HA LYS 26 8.247 3.916 0.990 208 HB2 LYS 26 HB2 LYS 26 5.766 3.937 1.175 209 HB3 LYS 26 HB1 LYS 26 5.677 2.942 -0.270 210 HG2 LYS 26 HG2 LYS 26 7.029 1.232 0.940 211 HG3 LYS 26 HG1 LYS 26 6.815 2.199 2.405 212 HD2 LYS 26 HD2 LYS 26 4.631 1.031 0.698 213 HD3 LYS 26 HD1 LYS 26 5.147 0.416 2.270 214 HE2 LYS 26 HE2 LYS 26 3.847 3.074 1.680 215 HE3 LYS 26 HE1 LYS 26 3.127 1.709 2.526 216 HZ1 LYS 26 HZ1 LYS 26 3.775 3.222 4.166 217 HZ2 LYS 26 HZ2 LYS 26 5.284 3.505 3.457 218 HZ3 LYS 26 HZ3 LYS 26 4.970 2.015 4.211 219 H ALA 27 HN ALA 27 7.041 3.275 -2.263 220 HA ALA 27 HA ALA 27 8.321 0.871 -2.806 221 HB1 ALA 27 HB1 ALA 27 7.983 3.041 -4.859 222 HB2 ALA 27 HB2 ALA 27 6.610 2.143 -4.220 223 HB3 ALA 27 HB3 ALA 27 7.894 1.293 -5.083 224 H LEU 28 HN LEU 28 9.478 4.198 -3.289 225 HA LEU 28 HA LEU 28 11.975 3.562 -4.390 226 HB2 LEU 28 HB2 LEU 28 10.595 5.873 -3.682 227 HB3 LEU 28 HB1 LEU 28 12.055 5.922 -2.706 228 HG LEU 28 HG LEU 28 13.373 5.578 -4.816 229 HD11 LEU 28 HD11 LEU 28 10.864 6.342 -6.266 230 HD12 LEU 28 HD12 LEU 28 11.297 4.656 -6.001 231 HD13 LEU 28 HD13 LEU 28 12.378 5.709 -6.919 232 HD21 LEU 28 HD21 LEU 28 11.612 8.022 -4.668 233 HD22 LEU 28 HD22 LEU 28 13.115 7.895 -5.582 234 HD23 LEU 28 HD23 LEU 28 13.140 7.781 -3.822 235 H GLN 29 HN GLN 29 10.896 3.840 -1.061 236 HA GLN 29 HA GLN 29 13.434 3.747 0.176 237 HB2 GLN 29 HB2 GLN 29 11.428 4.516 1.346 238 HB3 GLN 29 HB1 GLN 29 10.729 2.907 1.239 239 HG2 GLN 29 HG2 GLN 29 11.587 3.257 3.448 240 HG3 GLN 29 HG1 GLN 29 12.569 2.046 2.627 241 HE21 GLN 29 HE21 GLN 29 14.683 2.547 2.037 242 HE22 GLN 29 HE22 GLN 29 15.521 3.913 2.707 243 H TRP 30 HN TRP 30 11.310 1.236 -1.044 244 HA TRP 30 HA TRP 30 13.092 -0.790 0.116 245 HB2 TRP 30 HB2 TRP 30 10.279 -1.049 -0.954 246 HB3 TRP 30 HB1 TRP 30 11.271 -2.414 -0.445 247 HD1 TRP 30 HD1 TRP 30 8.906 0.142 0.881 248 HE1 TRP 30 HE1 TRP 30 8.770 -0.029 3.446 249 HE3 TRP 30 HE3 TRP 30 12.904 -2.933 1.706 250 HZ2 TRP 30 HZ2 TRP 30 10.170 -1.295 5.541 251 HZ3 TRP 30 HZ3 TRP 30 13.440 -3.577 4.021 252 HH2 TRP 30 HH2 TRP 30 12.102 -2.773 5.897 253 H HIS 31 HN HIS 31 13.137 0.906 -2.530 254 HA HIS 31 HA HIS 31 13.617 -1.218 -4.439 255 HB2 HIS 31 HB2 HIS 31 13.890 1.774 -4.487 256 HB3 HIS 31 HB1 HIS 31 14.720 0.811 -5.706 257 HD1 HIS 31 HD1 HIS 31 12.207 2.825 -6.085 258 HD2 HIS 31 HD2 HIS 31 12.178 -1.327 -6.167 259 HE1 HIS 31 HE1 HIS 31 10.192 2.197 -7.443 260 HE2 HIS 31 HE2 HIS 31 10.350 -0.309 -7.691 261 HA PRO 32 HA PRO 32 17.438 -2.637 -3.259 262 HB2 PRO 32 HB2 PRO 32 18.906 -2.569 -5.621 263 HB3 PRO 32 HB1 PRO 32 17.765 -3.834 -5.155 264 HG2 PRO 32 HG2 PRO 32 17.349 -1.465 -6.930 265 HG3 PRO 32 HG1 PRO 32 16.767 -3.128 -7.123 266 HD2 PRO 32 HD2 PRO 32 15.127 -1.223 -6.271 267 HD3 PRO 32 HD1 PRO 32 15.068 -2.845 -5.552 268 H ASP 33 HN ASP 33 17.630 0.329 -5.096 269 HA ASP 33 HA ASP 33 20.281 1.037 -4.473 270 HB2 ASP 33 HB2 ASP 33 19.028 2.114 -6.266 271 HB3 ASP 33 HB1 ASP 33 17.886 2.772 -5.103 272 H LYS 34 HN LYS 34 17.295 1.324 -2.682 273 HA LYS 34 HA LYS 34 18.706 2.753 -0.519 274 HB2 LYS 34 HB2 LYS 34 15.947 2.909 -1.574 275 HB3 LYS 34 HB1 LYS 34 16.084 2.936 0.176 276 HG2 LYS 34 HG2 LYS 34 16.030 5.177 -0.916 277 HG3 LYS 34 HG1 LYS 34 17.424 4.895 0.127 278 HD2 LYS 34 HD2 LYS 34 18.808 4.431 -1.804 279 HD3 LYS 34 HD1 LYS 34 17.416 4.606 -2.874 280 HE2 LYS 34 HE2 LYS 34 17.232 6.928 -2.368 281 HE3 LYS 34 HE1 LYS 34 18.425 6.798 -1.075 282 HZ1 LYS 34 HZ1 LYS 34 19.123 6.117 -3.862 283 HZ2 LYS 34 HZ2 LYS 34 20.149 6.554 -2.578 284 HZ3 LYS 34 HZ3 LYS 34 19.168 7.725 -3.315 285 H ASN 35 HN ASN 35 18.154 -0.236 -1.357 286 HA ASN 35 HA ASN 35 17.107 -1.138 1.238 287 HB2 ASN 35 HB2 ASN 35 15.788 -1.917 -0.662 288 HB3 ASN 35 HB1 ASN 35 17.234 -2.573 -1.427 289 HD21 ASN 35 HD21 ASN 35 14.903 -2.952 1.105 290 HD22 ASN 35 HD22 ASN 35 15.296 -4.593 1.491 291 HA PRO 36 HA PRO 36 21.176 -2.738 2.083 292 HB2 PRO 36 HB2 PRO 36 20.618 -4.180 4.271 293 HB3 PRO 36 HB1 PRO 36 20.549 -2.413 4.288 294 HG2 PRO 36 HG2 PRO 36 18.316 -4.390 4.012 295 HG3 PRO 36 HG1 PRO 36 18.400 -2.940 5.033 296 HD2 PRO 36 HD2 PRO 36 17.125 -2.995 2.624 297 HD3 PRO 36 HD1 PRO 36 17.879 -1.533 3.290 298 H ASP 37 HN ASP 37 20.239 -5.492 3.614 299 HA ASP 37 HA ASP 37 21.123 -7.091 1.333 300 HB2 ASP 37 HB2 ASP 37 21.060 -7.609 4.293 301 HB3 ASP 37 HB1 ASP 37 21.404 -8.881 3.127 302 H ASN 38 HN ASN 38 18.242 -6.256 2.744 303 HA ASN 38 HA ASN 38 17.085 -8.938 2.437 304 HB2 ASN 38 HB2 ASN 38 15.978 -6.498 3.847 305 HB3 ASN 38 HB1 ASN 38 15.195 -8.075 3.767 306 HD21 ASN 38 HD21 ASN 38 16.033 -9.786 4.945 307 HD22 ASN 38 HD22 ASN 38 17.155 -9.543 6.242 308 H LYS 39 HN LYS 39 16.620 -9.109 0.307 309 HA LYS 39 HA LYS 39 15.090 -6.998 -1.000 310 HB2 LYS 39 HB2 LYS 39 16.235 -9.593 -2.050 311 HB3 LYS 39 HB1 LYS 39 15.327 -8.446 -3.026 312 HG2 LYS 39 HG2 LYS 39 17.962 -7.936 -1.659 313 HG3 LYS 39 HG1 LYS 39 17.693 -8.151 -3.390 314 HD2 LYS 39 HD2 LYS 39 16.317 -6.146 -3.444 315 HD3 LYS 39 HD1 LYS 39 16.521 -5.947 -1.703 316 HE2 LYS 39 HE2 LYS 39 18.715 -5.837 -3.771 317 HE3 LYS 39 HE1 LYS 39 17.997 -4.455 -2.944 318 HZ1 LYS 39 HZ1 LYS 39 20.022 -4.972 -1.868 319 HZ2 LYS 39 HZ2 LYS 39 19.630 -6.616 -1.738 320 HZ3 LYS 39 HZ3 LYS 39 18.775 -5.465 -0.832 321 H GLU 40 HN GLU 40 14.740 -10.087 0.445 322 HA GLU 40 HA GLU 40 12.328 -10.952 -0.690 323 HB2 GLU 40 HB2 GLU 40 13.970 -12.221 0.803 324 HB3 GLU 40 HB1 GLU 40 13.208 -11.415 2.162 325 HG2 GLU 40 HG2 GLU 40 11.598 -13.032 0.225 326 HG3 GLU 40 HG1 GLU 40 12.472 -13.796 1.549 327 H PHE 41 HN PHE 41 12.995 -8.967 2.172 328 HA PHE 41 HA PHE 41 10.262 -8.429 2.746 329 HB2 PHE 41 HB2 PHE 41 12.762 -6.952 3.584 330 HB3 PHE 41 HB1 PHE 41 11.149 -6.647 4.224 331 HD1 PHE 41 HD1 PHE 41 9.941 -8.958 4.991 332 HD2 PHE 41 HD2 PHE 41 14.126 -8.201 4.918 333 HE1 PHE 41 HE1 PHE 41 10.282 -10.698 6.692 334 HE2 PHE 41 HE2 PHE 41 14.473 -9.939 6.621 335 HZ PHE 41 HZ PHE 41 12.553 -11.191 7.510 336 H ALA 42 HN ALA 42 12.725 -6.802 0.815 337 HA ALA 42 HA ALA 42 11.382 -4.348 0.485 338 HB1 ALA 42 HB1 ALA 42 13.474 -5.743 -1.157 339 HB2 ALA 42 HB2 ALA 42 13.668 -4.371 -0.061 340 HB3 ALA 42 HB3 ALA 42 12.829 -4.163 -1.597 341 H GLU 43 HN GLU 43 11.437 -7.269 -1.558 342 HA GLU 43 HA GLU 43 9.600 -6.220 -3.452 343 HB2 GLU 43 HB2 GLU 43 9.449 -8.461 -4.344 344 HB3 GLU 43 HB1 GLU 43 11.126 -8.077 -3.992 345 HG2 GLU 43 HG2 GLU 43 11.055 -9.415 -1.990 346 HG3 GLU 43 HG1 GLU 43 9.333 -9.724 -2.228 347 H LYS 44 HN LYS 44 9.282 -8.088 -0.501 348 HA LYS 44 HA LYS 44 6.576 -8.751 -0.617 349 HB2 LYS 44 HB2 LYS 44 8.675 -8.819 1.268 350 HB3 LYS 44 HB1 LYS 44 7.358 -7.950 2.038 351 HG2 LYS 44 HG2 LYS 44 5.863 -9.827 1.612 352 HG3 LYS 44 HG1 LYS 44 7.191 -10.700 0.834 353 HD2 LYS 44 HD2 LYS 44 8.467 -10.607 2.910 354 HD3 LYS 44 HD1 LYS 44 7.151 -9.731 3.691 355 HE2 LYS 44 HE2 LYS 44 7.017 -12.036 4.330 356 HE3 LYS 44 HE1 LYS 44 5.670 -11.672 3.253 357 HZ1 LYS 44 HZ1 LYS 44 8.204 -12.908 2.330 358 HZ2 LYS 44 HZ2 LYS 44 6.745 -12.776 1.470 359 HZ3 LYS 44 HZ3 LYS 44 6.850 -13.809 2.813 360 H LYS 45 HN LYS 45 8.164 -5.848 0.696 361 HA LYS 45 HA LYS 45 5.696 -4.638 1.447 362 HB2 LYS 45 HB2 LYS 45 8.488 -3.521 1.207 363 HB3 LYS 45 HB1 LYS 45 7.109 -2.577 1.764 364 HG2 LYS 45 HG2 LYS 45 8.363 -4.971 3.067 365 HG3 LYS 45 HG1 LYS 45 8.185 -3.337 3.711 366 HD2 LYS 45 HD2 LYS 45 5.767 -3.626 3.767 367 HD3 LYS 45 HD1 LYS 45 5.947 -5.241 3.097 368 HE2 LYS 45 HE2 LYS 45 7.329 -5.812 5.100 369 HE3 LYS 45 HE1 LYS 45 6.859 -4.259 5.785 370 HZ1 LYS 45 HZ1 LYS 45 4.559 -4.926 5.702 371 HZ2 LYS 45 HZ2 LYS 45 5.445 -6.099 6.544 372 HZ3 LYS 45 HZ3 LYS 45 4.962 -6.387 4.942 373 H PHE 46 HN PHE 46 7.805 -4.416 -1.359 374 HA PHE 46 HA PHE 46 6.475 -2.331 -2.697 375 HB2 PHE 46 HB2 PHE 46 8.645 -3.251 -3.442 376 HB3 PHE 46 HB1 PHE 46 7.851 -4.760 -3.885 377 HD1 PHE 46 HD1 PHE 46 8.020 -1.150 -4.666 378 HD2 PHE 46 HD2 PHE 46 6.834 -5.021 -5.972 379 HE1 PHE 46 HE1 PHE 46 7.577 -0.251 -6.912 380 HE2 PHE 46 HE2 PHE 46 6.388 -4.133 -8.222 381 HZ PHE 46 HZ PHE 46 6.761 -1.743 -8.693 382 H LYS 47 HN LYS 47 5.877 -5.805 -2.552 383 HA LYS 47 HA LYS 47 3.689 -5.842 -4.352 384 HB2 LYS 47 HB2 LYS 47 4.796 -7.896 -3.866 385 HB3 LYS 47 HB1 LYS 47 4.564 -7.694 -2.135 386 HG2 LYS 47 HG2 LYS 47 2.160 -8.012 -2.414 387 HG3 LYS 47 HG1 LYS 47 2.388 -8.202 -4.154 388 HD2 LYS 47 HD2 LYS 47 3.665 -10.196 -3.841 389 HD3 LYS 47 HD1 LYS 47 3.710 -9.956 -2.094 390 HE2 LYS 47 HE2 LYS 47 2.082 -11.669 -2.749 391 HE3 LYS 47 HE1 LYS 47 1.316 -10.294 -1.956 392 HZ1 LYS 47 HZ1 LYS 47 0.599 -9.462 -4.069 393 HZ2 LYS 47 HZ2 LYS 47 0.111 -11.079 -3.937 394 HZ3 LYS 47 HZ3 LYS 47 1.445 -10.671 -4.899 395 H GLU 48 HN GLU 48 3.913 -5.586 -0.823 396 HA GLU 48 HA GLU 48 1.140 -5.616 -0.348 397 HB2 GLU 48 HB2 GLU 48 3.434 -4.579 1.304 398 HB3 GLU 48 HB1 GLU 48 1.768 -4.556 1.867 399 HG2 GLU 48 HG2 GLU 48 1.694 -7.021 1.516 400 HG3 GLU 48 HG1 GLU 48 3.420 -6.969 1.166 401 H VAL 49 HN VAL 49 3.402 -2.892 -0.807 402 HA VAL 49 HA VAL 49 1.434 -0.925 -0.267 403 HB VAL 49 HB VAL 49 3.815 -0.381 -0.119 404 HG11 VAL 49 HG11 VAL 49 3.870 -0.476 -3.130 405 HG12 VAL 49 HG12 VAL 49 4.561 -1.711 -2.080 406 HG13 VAL 49 HG13 VAL 49 5.207 -0.068 -2.054 407 HG21 VAL 49 HG21 VAL 49 3.715 1.806 -1.062 408 HG22 VAL 49 HG22 VAL 49 2.090 1.374 -0.532 409 HG23 VAL 49 HG23 VAL 49 2.508 1.302 -2.240 410 H ALA 50 HN ALA 50 2.461 -2.543 -3.233 411 HA ALA 50 HA ALA 50 1.145 -0.858 -5.053 412 HB1 ALA 50 HB1 ALA 50 1.608 -3.818 -5.368 413 HB2 ALA 50 HB2 ALA 50 2.829 -2.579 -5.650 414 HB3 ALA 50 HB3 ALA 50 1.379 -2.633 -6.651 415 H GLU 51 HN GLU 51 0.026 -3.822 -3.431 416 HA GLU 51 HA GLU 51 -2.562 -3.726 -4.637 417 HB2 GLU 51 HB2 GLU 51 -3.164 -5.454 -2.989 418 HB3 GLU 51 HB1 GLU 51 -1.666 -5.834 -3.823 419 HG2 GLU 51 HG2 GLU 51 -0.402 -5.021 -1.875 420 HG3 GLU 51 HG1 GLU 51 -1.920 -4.705 -1.041 421 H ALA 52 HN ALA 52 -1.149 -2.501 -1.698 422 HA ALA 52 HA ALA 52 -3.627 -1.937 -0.400 423 HB1 ALA 52 HB1 ALA 52 -1.473 -2.492 0.734 424 HB2 ALA 52 HB2 ALA 52 -2.317 -1.081 1.380 425 HB3 ALA 52 HB3 ALA 52 -0.914 -0.865 0.329 426 H TYR 53 HN TYR 53 -1.270 0.016 -2.206 427 HA TYR 53 HA TYR 53 -2.642 2.467 -1.703 428 HB2 TYR 53 HB2 TYR 53 -0.909 3.431 -2.785 429 HB3 TYR 53 HB1 TYR 53 -0.190 1.827 -2.813 430 HD1 TYR 53 HD1 TYR 53 -0.211 0.497 -4.873 431 HD2 TYR 53 HD2 TYR 53 -1.836 4.429 -4.785 432 HE1 TYR 53 HE1 TYR 53 -0.226 0.543 -7.327 433 HE2 TYR 53 HE2 TYR 53 -1.854 4.483 -7.244 434 HH TYR 53 HH TYR 53 -1.540 1.752 -9.129 435 H GLU 54 HN GLU 54 -2.792 -0.041 -4.154 436 HA GLU 54 HA GLU 54 -4.466 1.313 -5.972 437 HB2 GLU 54 HB2 GLU 54 -3.125 -0.803 -6.369 438 HB3 GLU 54 HB1 GLU 54 -4.391 -1.668 -5.512 439 HG2 GLU 54 HG2 GLU 54 -4.683 -1.842 -7.905 440 HG3 GLU 54 HG1 GLU 54 -6.021 -0.955 -7.174 441 H VAL 55 HN VAL 55 -5.210 -0.929 -3.302 442 HA VAL 55 HA VAL 55 -7.997 -0.903 -3.711 443 HB VAL 55 HB VAL 55 -6.922 -2.669 -2.409 444 HG11 VAL 55 HG11 VAL 55 -5.257 -1.362 -1.228 445 HG12 VAL 55 HG12 VAL 55 -6.243 -2.299 -0.111 446 HG13 VAL 55 HG13 VAL 55 -6.527 -0.572 -0.291 447 HG21 VAL 55 HG21 VAL 55 -8.554 -2.817 -0.587 448 HG22 VAL 55 HG22 VAL 55 -9.297 -2.310 -2.105 449 HG23 VAL 55 HG23 VAL 55 -8.977 -1.124 -0.841 450 H LEU 56 HN LEU 56 -5.886 1.136 -1.763 451 HA LEU 56 HA LEU 56 -8.044 2.510 -0.505 452 HB2 LEU 56 HB2 LEU 56 -5.894 2.354 0.588 453 HB3 LEU 56 HB1 LEU 56 -5.116 3.188 -0.743 454 HG LEU 56 HG LEU 56 -6.284 5.251 -0.166 455 HD11 LEU 56 HD11 LEU 56 -7.497 3.655 2.083 456 HD12 LEU 56 HD12 LEU 56 -8.357 4.311 0.690 457 HD13 LEU 56 HD13 LEU 56 -7.634 5.401 1.873 458 HD21 LEU 56 HD21 LEU 56 -4.147 4.837 0.880 459 HD22 LEU 56 HD22 LEU 56 -4.937 3.945 2.175 460 HD23 LEU 56 HD23 LEU 56 -5.220 5.674 2.004 461 H SER 57 HN SER 57 -6.296 2.957 -3.473 462 HA SER 57 HA SER 57 -7.187 5.689 -3.785 463 HB2 SER 57 HB2 SER 57 -4.975 4.948 -4.632 464 HB3 SER 57 HB1 SER 57 -5.790 3.883 -5.775 465 HG SER 57 HG SER 57 -6.907 6.011 -6.367 466 H ASP 58 HN ASP 58 -8.440 2.588 -4.471 467 HA ASP 58 HA ASP 58 -10.213 3.703 -6.551 468 HB2 ASP 58 HB2 ASP 58 -8.782 1.898 -7.390 469 HB3 ASP 58 HB1 ASP 58 -9.403 0.822 -6.139 470 H LYS 59 HN LYS 59 -12.313 3.715 -6.265 471 HA LYS 59 HA LYS 59 -13.367 3.345 -3.667 472 HB2 LYS 59 HB2 LYS 59 -14.986 3.640 -6.200 473 HB3 LYS 59 HB1 LYS 59 -15.478 4.044 -4.566 474 HG2 LYS 59 HG2 LYS 59 -15.056 6.097 -5.562 475 HG3 LYS 59 HG1 LYS 59 -13.597 5.775 -4.621 476 HD2 LYS 59 HD2 LYS 59 -12.361 5.201 -6.532 477 HD3 LYS 59 HD1 LYS 59 -13.809 5.023 -7.524 478 HE2 LYS 59 HE2 LYS 59 -12.790 7.613 -6.356 479 HE3 LYS 59 HE1 LYS 59 -12.546 7.089 -8.021 480 HZ1 LYS 59 HZ1 LYS 59 -14.943 7.117 -8.341 481 HZ2 LYS 59 HZ2 LYS 59 -14.387 8.636 -7.836 482 HZ3 LYS 59 HZ3 LYS 59 -15.179 7.619 -6.738 483 H HIS 60 HN HIS 60 -13.477 1.429 -6.611 484 HA HIS 60 HA HIS 60 -15.470 -0.401 -5.701 485 HB2 HIS 60 HB2 HIS 60 -13.380 -0.740 -7.866 486 HB3 HIS 60 HB1 HIS 60 -14.719 -1.845 -7.575 487 HD1 HIS 60 HD1 HIS 60 -13.912 0.419 -9.984 488 HD2 HIS 60 HD2 HIS 60 -17.224 0.129 -7.478 489 HE1 HIS 60 HE1 HIS 60 -15.750 1.710 -11.121 490 HE2 HIS 60 HE2 HIS 60 -17.767 1.441 -9.637 491 H LYS 61 HN LYS 61 -11.937 -0.429 -5.758 492 HA LYS 61 HA LYS 61 -11.583 -2.963 -4.618 493 HB2 LYS 61 HB2 LYS 61 -9.872 -0.501 -4.364 494 HB3 LYS 61 HB1 LYS 61 -9.368 -2.113 -3.896 495 HG2 LYS 61 HG2 LYS 61 -10.156 -1.332 -6.694 496 HG3 LYS 61 HG1 LYS 61 -8.499 -1.346 -6.096 497 HD2 LYS 61 HD2 LYS 61 -8.686 -3.404 -7.165 498 HD3 LYS 61 HD1 LYS 61 -8.990 -3.813 -5.478 499 HE2 LYS 61 HE2 LYS 61 -11.381 -3.818 -5.881 500 HE3 LYS 61 HE1 LYS 61 -11.123 -3.307 -7.550 501 HZ1 LYS 61 HZ1 LYS 61 -9.959 -5.391 -7.963 502 HZ2 LYS 61 HZ2 LYS 61 -11.536 -5.678 -7.410 503 HZ3 LYS 61 HZ3 LYS 61 -10.219 -5.882 -6.359 504 H ARG 62 HN ARG 62 -12.186 0.186 -3.130 505 HA ARG 62 HA ARG 62 -11.689 -0.525 -0.459 506 HB2 ARG 62 HB2 ARG 62 -13.651 1.489 -1.557 507 HB3 ARG 62 HB1 ARG 62 -13.183 1.370 0.130 508 HG2 ARG 62 HG2 ARG 62 -10.897 1.945 -0.443 509 HG3 ARG 62 HG1 ARG 62 -11.333 2.016 -2.155 510 HD2 ARG 62 HD2 ARG 62 -13.016 3.765 -1.567 511 HD3 ARG 62 HD1 ARG 62 -12.361 3.770 0.069 512 HE ARG 62 HE ARG 62 -10.162 4.267 -1.323 513 HH11 ARG 62 HH11 ARG 62 -13.393 5.570 -1.721 514 HH12 ARG 62 HH12 ARG 62 -12.827 7.108 -2.322 515 HH21 ARG 62 HH21 ARG 62 -9.428 6.277 -2.119 516 HH22 ARG 62 HH22 ARG 62 -10.582 7.503 -2.550 517 H GLU 63 HN GLU 63 -14.718 -0.591 -2.331 518 HA GLU 63 HA GLU 63 -16.259 -1.528 -0.126 519 HB2 GLU 63 HB2 GLU 63 -18.020 -1.958 -1.854 520 HB3 GLU 63 HB1 GLU 63 -17.405 -0.313 -1.830 521 HG2 GLU 63 HG2 GLU 63 -15.982 -0.828 -3.754 522 HG3 GLU 63 HG1 GLU 63 -16.633 -2.466 -3.785 523 H ILE 64 HN ILE 64 -14.603 -3.082 -2.813 524 HA ILE 64 HA ILE 64 -15.562 -5.691 -2.307 525 HB ILE 64 HB ILE 64 -13.326 -4.541 -3.882 526 HG12 ILE 64 HG12 ILE 64 -14.263 -6.026 -5.621 527 HG13 ILE 64 HG11 ILE 64 -15.373 -6.704 -4.438 528 HG21 ILE 64 HG21 ILE 64 -13.327 -7.453 -3.092 529 HG22 ILE 64 HG22 ILE 64 -12.120 -6.251 -2.637 530 HG23 ILE 64 HG23 ILE 64 -12.301 -6.721 -4.327 531 HD11 ILE 64 HD11 ILE 64 -16.431 -4.511 -4.192 532 HD12 ILE 64 HD12 ILE 64 -16.492 -5.096 -5.855 533 HD13 ILE 64 HD13 ILE 64 -15.326 -3.853 -5.400 534 H TYR 65 HN TYR 65 -12.806 -3.857 -1.067 535 HA TYR 65 HA TYR 65 -11.623 -5.894 0.450 536 HB2 TYR 65 HB2 TYR 65 -10.494 -3.783 0.048 537 HB3 TYR 65 HB1 TYR 65 -11.728 -2.913 0.949 538 HD1 TYR 65 HD2 TYR 65 -9.080 -5.512 1.341 539 HD2 TYR 65 HD1 TYR 65 -11.472 -2.542 3.234 540 HE1 TYR 65 HE2 TYR 65 -7.770 -5.776 3.407 541 HE2 TYR 65 HE1 TYR 65 -10.166 -2.798 5.298 542 HH TYR 65 HH TYR 65 -7.224 -4.458 5.428 543 H ASP 66 HN ASP 66 -14.297 -3.711 1.164 544 HA ASP 66 HA ASP 66 -14.569 -4.500 3.894 545 HB2 ASP 66 HB2 ASP 66 -15.405 -2.350 3.055 546 HB3 ASP 66 HB1 ASP 66 -16.559 -3.187 2.029 547 H ARG 67 HN ARG 67 -16.287 -5.383 0.904 548 HA ARG 67 HA ARG 67 -18.139 -7.058 2.309 549 HB2 ARG 67 HB2 ARG 67 -19.092 -7.551 0.152 550 HB3 ARG 67 HB1 ARG 67 -18.739 -5.833 0.248 551 HG2 ARG 67 HG2 ARG 67 -16.481 -6.624 -0.898 552 HG3 ARG 67 HG1 ARG 67 -17.528 -7.931 -1.451 553 HD2 ARG 67 HD2 ARG 67 -18.072 -4.987 -1.800 554 HD3 ARG 67 HD1 ARG 67 -17.427 -6.055 -3.045 555 HE ARG 67 HE ARG 67 -19.807 -7.192 -2.194 556 HH11 ARG 67 HH11 ARG 67 -18.790 -4.184 -3.683 557 HH12 ARG 67 HH12 ARG 67 -20.264 -3.969 -4.562 558 HH21 ARG 67 HH21 ARG 67 -21.749 -6.916 -3.351 559 HH22 ARG 67 HH22 ARG 67 -21.953 -5.524 -4.383 560 H TYR 68 HN TYR 68 -15.125 -7.617 0.619 561 HA TYR 68 HA TYR 68 -15.527 -10.514 0.732 562 HB2 TYR 68 HB2 TYR 68 -14.602 -9.413 -1.324 563 HB3 TYR 68 HB1 TYR 68 -13.189 -8.948 -0.388 564 HD1 TYR 68 HD2 TYR 68 -15.141 -11.973 -1.371 565 HD2 TYR 68 HD1 TYR 68 -11.339 -10.337 -0.385 566 HE1 TYR 68 HE2 TYR 68 -14.077 -14.111 -1.946 567 HE2 TYR 68 HE1 TYR 68 -10.265 -12.473 -0.960 568 HH TYR 68 HH TYR 68 -10.871 -14.859 -1.127 569 H GLY 69 HN GLY 69 -14.291 -8.045 2.600 570 HA2 GLY 69 HA2 GLY 69 -12.073 -9.411 3.800 571 HA3 GLY 69 HA1 GLY 69 -12.843 -7.936 4.373 572 H ARG 70 HN ARG 70 -15.349 -8.651 4.798 573 HA ARG 70 HA ARG 70 -15.278 -9.913 7.303 574 HB2 ARG 70 HB2 ARG 70 -17.627 -9.403 5.477 575 HB3 ARG 70 HB1 ARG 70 -17.759 -9.894 7.159 576 HG2 ARG 70 HG2 ARG 70 -16.527 -7.344 6.147 577 HG3 ARG 70 HG1 ARG 70 -18.108 -7.510 6.911 578 HD2 ARG 70 HD2 ARG 70 -16.935 -8.414 8.930 579 HD3 ARG 70 HD1 ARG 70 -15.410 -7.992 8.156 580 HE ARG 70 HE ARG 70 -17.399 -5.880 8.494 581 HH11 ARG 70 HH11 ARG 70 -14.376 -7.345 9.506 582 HH12 ARG 70 HH12 ARG 70 -13.859 -5.949 10.411 583 HH21 ARG 70 HH21 ARG 70 -16.730 -4.060 9.695 584 HH22 ARG 70 HH22 ARG 70 -15.209 -4.085 10.523 585 H GLU 71 HN GLU 71 -15.689 -11.213 4.120 586 HA GLU 71 HA GLU 71 -17.055 -13.594 4.851 587 HB2 GLU 71 HB2 GLU 71 -15.426 -12.930 2.396 588 HB3 GLU 71 HB1 GLU 71 -16.430 -14.363 2.577 589 HG2 GLU 71 HG2 GLU 71 -17.388 -11.510 2.610 590 HG3 GLU 71 HG1 GLU 71 -17.570 -12.658 1.284 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -7.154 8.763 11.218 2 H2 MET 1 HT2 MET 1 -7.622 9.230 12.779 3 H3 MET 1 HT3 MET 1 -8.788 9.024 11.568 4 HA MET 1 HA MET 1 -7.065 6.879 12.649 5 HB2 MET 1 HB2 MET 1 -9.095 6.046 13.757 6 HB3 MET 1 HB1 MET 1 -8.650 7.640 14.343 7 HG2 MET 1 HG2 MET 1 -10.366 8.630 12.882 8 HG3 MET 1 HG1 MET 1 -10.838 7.008 12.377 9 HE1 MET 1 HE1 MET 1 -11.322 8.661 16.659 10 HE2 MET 1 HE2 MET 1 -10.700 9.594 15.299 11 HE3 MET 1 HE3 MET 1 -9.750 8.263 15.963 12 H ALA 2 HN ALA 2 -6.915 5.192 11.327 13 HA ALA 2 HA ALA 2 -9.053 4.335 9.637 14 HB1 ALA 2 HB1 ALA 2 -8.323 6.276 8.336 15 HB2 ALA 2 HB2 ALA 2 -8.001 4.769 7.477 16 HB3 ALA 2 HB3 ALA 2 -6.684 5.627 8.282 17 H SER 3 HN SER 3 -8.823 2.270 9.113 18 HA SER 3 HA SER 3 -6.546 0.757 9.897 19 HB2 SER 3 HB2 SER 3 -7.791 -1.066 8.569 20 HB3 SER 3 HB1 SER 3 -8.622 -0.373 9.963 21 HG SER 3 HG SER 3 -9.964 0.719 8.655 22 H TYR 4 HN TYR 4 -7.617 2.250 6.943 23 HA TYR 4 HA TYR 4 -5.796 1.003 5.164 24 HB2 TYR 4 HB2 TYR 4 -6.958 3.795 4.950 25 HB3 TYR 4 HB1 TYR 4 -6.327 2.809 3.635 26 HD1 TYR 4 HD1 TYR 4 -7.599 0.801 2.885 27 HD2 TYR 4 HD2 TYR 4 -9.189 3.534 5.731 28 HE1 TYR 4 HE1 TYR 4 -9.854 -0.094 2.476 29 HE2 TYR 4 HE2 TYR 4 -11.446 2.645 5.334 30 HH TYR 4 HH TYR 4 -12.032 -0.233 3.654 31 H TYR 5 HN TYR 5 -5.552 3.581 7.461 32 HA TYR 5 HA TYR 5 -3.118 4.731 6.580 33 HB2 TYR 5 HB2 TYR 5 -4.696 5.818 8.170 34 HB3 TYR 5 HB1 TYR 5 -4.282 4.606 9.376 35 HD1 TYR 5 HD1 TYR 5 -3.114 7.575 7.568 36 HD2 TYR 5 HD2 TYR 5 -2.188 4.719 10.578 37 HE1 TYR 5 HE1 TYR 5 -1.294 9.019 8.369 38 HE2 TYR 5 HE2 TYR 5 -0.361 6.151 11.384 39 HH TYR 5 HH TYR 5 1.064 7.927 10.625 40 H GLU 6 HN GLU 6 -3.980 1.993 8.558 41 HA GLU 6 HA GLU 6 -1.366 1.458 9.544 42 HB2 GLU 6 HB2 GLU 6 -3.818 -0.290 9.347 43 HB3 GLU 6 HB1 GLU 6 -2.336 -0.745 10.180 44 HG2 GLU 6 HG2 GLU 6 -3.970 1.674 10.848 45 HG3 GLU 6 HG1 GLU 6 -4.127 0.118 11.667 46 H ILE 7 HN ILE 7 -3.318 0.214 6.849 47 HA ILE 7 HA ILE 7 -1.445 -1.800 6.143 48 HB ILE 7 HB ILE 7 -2.760 -2.108 4.090 49 HG12 ILE 7 HG12 ILE 7 -5.035 -0.655 4.279 50 HG13 ILE 7 HG11 ILE 7 -3.864 0.527 4.849 51 HG21 ILE 7 HG21 ILE 7 -4.783 -2.854 5.137 52 HG22 ILE 7 HG22 ILE 7 -4.531 -1.752 6.491 53 HG23 ILE 7 HG23 ILE 7 -3.433 -3.114 6.246 54 HD11 ILE 7 HD11 ILE 7 -4.196 0.828 2.504 55 HD12 ILE 7 HD12 ILE 7 -3.877 -0.876 2.186 56 HD13 ILE 7 HD13 ILE 7 -2.579 0.174 2.755 57 H LEU 8 HN LEU 8 -2.034 1.481 4.924 58 HA LEU 8 HA LEU 8 0.365 1.200 3.263 59 HB2 LEU 8 HB2 LEU 8 -1.779 2.047 2.248 60 HB3 LEU 8 HB1 LEU 8 -1.610 3.475 3.246 61 HG LEU 8 HG LEU 8 0.467 4.064 2.110 62 HD11 LEU 8 HD11 LEU 8 -0.023 1.583 0.464 63 HD12 LEU 8 HD12 LEU 8 1.280 1.812 1.630 64 HD13 LEU 8 HD13 LEU 8 1.226 2.790 0.164 65 HD21 LEU 8 HD21 LEU 8 -1.664 4.842 1.183 66 HD22 LEU 8 HD22 LEU 8 -1.743 3.399 0.172 67 HD23 LEU 8 HD23 LEU 8 -0.457 4.580 -0.077 68 H ASP 9 HN ASP 9 -0.751 4.268 4.393 69 HA ASP 9 HA ASP 9 0.450 4.565 6.832 70 HB2 ASP 9 HB2 ASP 9 2.509 5.814 6.411 71 HB3 ASP 9 HB1 ASP 9 2.626 4.178 5.784 72 H VAL 10 HN VAL 10 -1.350 5.616 4.365 73 HA VAL 10 HA VAL 10 -1.525 8.334 5.484 74 HB VAL 10 HB VAL 10 -2.537 9.023 3.301 75 HG11 VAL 10 HG11 VAL 10 -0.424 9.220 2.113 76 HG12 VAL 10 HG12 VAL 10 0.279 7.958 3.124 77 HG13 VAL 10 HG13 VAL 10 -0.196 9.499 3.840 78 HG21 VAL 10 HG21 VAL 10 -1.556 6.318 2.396 79 HG22 VAL 10 HG22 VAL 10 -2.127 7.602 1.331 80 HG23 VAL 10 HG23 VAL 10 -3.234 6.852 2.481 81 HA PRO 11 HA PRO 11 -5.696 7.498 6.667 82 HB2 PRO 11 HB2 PRO 11 -6.864 9.921 6.273 83 HB3 PRO 11 HB1 PRO 11 -5.755 9.590 7.611 84 HG2 PRO 11 HG2 PRO 11 -5.211 10.915 4.980 85 HG3 PRO 11 HG1 PRO 11 -4.673 11.389 6.603 86 HD2 PRO 11 HD2 PRO 11 -3.058 10.083 4.887 87 HD3 PRO 11 HD1 PRO 11 -2.985 9.811 6.641 88 H ARG 12 HN ARG 12 -7.906 7.434 5.930 89 HA ARG 12 HA ARG 12 -8.047 6.469 3.275 90 HB2 ARG 12 HB2 ARG 12 -10.523 6.275 3.804 91 HB3 ARG 12 HB1 ARG 12 -9.415 5.351 4.803 92 HG2 ARG 12 HG2 ARG 12 -10.968 6.223 6.305 93 HG3 ARG 12 HG1 ARG 12 -9.583 7.305 6.455 94 HD2 ARG 12 HD2 ARG 12 -11.681 8.550 6.385 95 HD3 ARG 12 HD1 ARG 12 -10.671 8.920 4.989 96 HE ARG 12 HE ARG 12 -12.649 6.839 4.570 97 HH11 ARG 12 HH11 ARG 12 -11.919 10.263 4.354 98 HH12 ARG 12 HH12 ARG 12 -13.150 10.578 3.162 99 HH21 ARG 12 HH21 ARG 12 -14.286 7.270 3.034 100 HH22 ARG 12 HH22 ARG 12 -14.498 8.881 2.427 101 H SER 13 HN SER 13 -8.615 9.556 4.614 102 HA SER 13 HA SER 13 -10.403 10.508 2.594 103 HB2 SER 13 HB2 SER 13 -8.703 12.077 4.544 104 HB3 SER 13 HB1 SER 13 -10.086 12.690 3.637 105 HG SER 13 HG SER 13 -10.990 12.144 5.517 106 H ALA 14 HN ALA 14 -7.219 9.700 2.460 107 HA ALA 14 HA ALA 14 -6.182 11.840 0.901 108 HB1 ALA 14 HB1 ALA 14 -4.751 10.379 2.224 109 HB2 ALA 14 HB2 ALA 14 -4.322 10.296 0.521 110 HB3 ALA 14 HB3 ALA 14 -5.247 8.994 1.254 111 H SER 15 HN SER 15 -5.945 11.954 -1.308 112 HA SER 15 HA SER 15 -7.848 10.404 -2.861 113 HB2 SER 15 HB2 SER 15 -7.673 12.871 -3.137 114 HB3 SER 15 HB1 SER 15 -6.023 12.663 -3.720 115 HG SER 15 HG SER 15 -6.910 12.435 -5.600 116 H ALA 16 HN ALA 16 -7.005 9.830 -5.147 117 HA ALA 16 HA ALA 16 -5.403 7.599 -4.871 118 HB1 ALA 16 HB1 ALA 16 -6.910 7.966 -6.759 119 HB2 ALA 16 HB2 ALA 16 -5.291 7.515 -7.297 120 HB3 ALA 16 HB3 ALA 16 -5.815 9.196 -7.391 121 H ASP 17 HN ASP 17 -4.429 10.862 -5.832 122 HA ASP 17 HA ASP 17 -1.746 10.259 -6.464 123 HB2 ASP 17 HB2 ASP 17 -3.131 12.803 -5.643 124 HB3 ASP 17 HB1 ASP 17 -1.398 12.754 -5.943 125 H ASP 18 HN ASP 18 -3.307 11.237 -3.454 126 HA ASP 18 HA ASP 18 -0.982 11.582 -1.908 127 HB2 ASP 18 HB2 ASP 18 -3.696 10.632 -0.962 128 HB3 ASP 18 HB1 ASP 18 -2.439 11.354 0.032 129 H ILE 19 HN ILE 19 -3.067 8.759 -2.425 130 HA ILE 19 HA ILE 19 -1.605 6.963 -0.819 131 HB ILE 19 HB ILE 19 -3.557 6.609 -3.060 132 HG12 ILE 19 HG12 ILE 19 -4.632 5.232 -1.135 133 HG13 ILE 19 HG11 ILE 19 -3.485 6.097 -0.116 134 HG21 ILE 19 HG21 ILE 19 -1.914 4.842 -3.413 135 HG22 ILE 19 HG22 ILE 19 -3.450 4.194 -2.841 136 HG23 ILE 19 HG23 ILE 19 -2.088 4.345 -1.730 137 HD11 ILE 19 HD11 ILE 19 -5.772 7.151 -1.702 138 HD12 ILE 19 HD12 ILE 19 -4.416 8.187 -1.273 139 HD13 ILE 19 HD13 ILE 19 -5.368 7.413 -0.002 140 H LYS 20 HN LYS 20 -1.317 7.899 -4.207 141 HA LYS 20 HA LYS 20 0.650 6.038 -4.972 142 HB2 LYS 20 HB2 LYS 20 -0.680 7.495 -6.527 143 HB3 LYS 20 HB1 LYS 20 0.309 8.857 -6.026 144 HG2 LYS 20 HG2 LYS 20 1.175 8.081 -8.092 145 HG3 LYS 20 HG1 LYS 20 2.315 7.592 -6.837 146 HD2 LYS 20 HD2 LYS 20 2.179 5.611 -7.938 147 HD3 LYS 20 HD1 LYS 20 0.785 5.404 -6.880 148 HE2 LYS 20 HE2 LYS 20 0.742 6.366 -9.741 149 HE3 LYS 20 HE1 LYS 20 0.233 4.783 -9.166 150 HZ1 LYS 20 HZ1 LYS 20 -1.056 7.395 -8.595 151 HZ2 LYS 20 HZ2 LYS 20 -1.494 5.943 -7.832 152 HZ3 LYS 20 HZ3 LYS 20 -1.688 6.114 -9.507 153 H LYS 21 HN LYS 21 0.827 9.189 -3.423 154 HA LYS 21 HA LYS 21 3.629 9.493 -3.398 155 HB2 LYS 21 HB2 LYS 21 1.422 10.541 -1.649 156 HB3 LYS 21 HB1 LYS 21 3.108 10.916 -1.322 157 HG2 LYS 21 HG2 LYS 21 1.959 11.426 -4.029 158 HG3 LYS 21 HG1 LYS 21 1.672 12.557 -2.706 159 HD2 LYS 21 HD2 LYS 21 3.587 13.357 -3.834 160 HD3 LYS 21 HD1 LYS 21 4.170 12.581 -2.365 161 HE2 LYS 21 HE2 LYS 21 4.773 10.596 -3.616 162 HE3 LYS 21 HE1 LYS 21 4.152 11.331 -5.099 163 HZ1 LYS 21 HZ1 LYS 21 5.827 13.005 -4.999 164 HZ2 LYS 21 HZ2 LYS 21 6.603 11.505 -4.814 165 HZ3 LYS 21 HZ3 LYS 21 6.341 12.495 -3.467 166 H ALA 22 HN ALA 22 1.400 8.071 -1.028 167 HA ALA 22 HA ALA 22 3.353 7.381 0.885 168 HB1 ALA 22 HB1 ALA 22 1.658 5.952 1.859 169 HB2 ALA 22 HB2 ALA 22 0.694 6.039 0.386 170 HB3 ALA 22 HB3 ALA 22 0.939 7.484 1.366 171 H TYR 23 HN TYR 23 2.020 5.658 -1.884 172 HA TYR 23 HA TYR 23 3.393 3.240 -1.493 173 HB2 TYR 23 HB2 TYR 23 1.783 2.970 -3.082 174 HB3 TYR 23 HB1 TYR 23 2.038 4.567 -3.783 175 HD1 TYR 23 HD2 TYR 23 3.428 1.120 -3.643 176 HD2 TYR 23 HD1 TYR 23 3.373 4.838 -5.707 177 HE1 TYR 23 HE2 TYR 23 4.703 0.111 -5.488 178 HE2 TYR 23 HE1 TYR 23 4.643 3.840 -7.557 179 HH TYR 23 HH TYR 23 6.208 1.934 -7.890 180 H ARG 24 HN ARG 24 4.320 6.180 -3.268 181 HA ARG 24 HA ARG 24 6.719 5.069 -4.279 182 HB2 ARG 24 HB2 ARG 24 5.763 7.920 -4.010 183 HB3 ARG 24 HB1 ARG 24 7.350 7.519 -4.657 184 HG2 ARG 24 HG2 ARG 24 6.303 6.213 -6.427 185 HG3 ARG 24 HG1 ARG 24 4.708 6.608 -5.776 186 HD2 ARG 24 HD2 ARG 24 5.273 9.009 -6.058 187 HD3 ARG 24 HD1 ARG 24 6.753 8.520 -6.883 188 HE ARG 24 HE ARG 24 4.539 7.289 -8.122 189 HH11 ARG 24 HH11 ARG 24 6.210 10.348 -7.848 190 HH12 ARG 24 HH12 ARG 24 5.548 10.994 -9.322 191 HH21 ARG 24 HH21 ARG 24 3.673 8.122 -10.074 192 HH22 ARG 24 HH22 ARG 24 4.078 9.744 -10.571 193 H ARG 25 HN ARG 25 6.024 6.920 -1.330 194 HA ARG 25 HA ARG 25 8.762 7.299 -0.661 195 HB2 ARG 25 HB2 ARG 25 7.999 7.934 1.552 196 HB3 ARG 25 HB1 ARG 25 6.941 8.648 0.344 197 HG2 ARG 25 HG2 ARG 25 5.288 6.893 0.760 198 HG3 ARG 25 HG1 ARG 25 6.349 6.193 1.983 199 HD2 ARG 25 HD2 ARG 25 4.592 7.574 2.984 200 HD3 ARG 25 HD1 ARG 25 6.199 8.227 3.305 201 HE ARG 25 HE ARG 25 5.704 9.770 1.370 202 HH11 ARG 25 HH11 ARG 25 3.160 8.424 3.380 203 HH12 ARG 25 HH12 ARG 25 2.104 9.783 3.139 204 HH21 ARG 25 HH21 ARG 25 4.277 11.524 1.019 205 HH22 ARG 25 HH22 ARG 25 2.727 11.526 1.811 206 H LYS 26 HN LYS 26 6.392 4.811 0.118 207 HA LYS 26 HA LYS 26 8.059 3.348 1.883 208 HB2 LYS 26 HB2 LYS 26 5.558 3.262 1.750 209 HB3 LYS 26 HB1 LYS 26 5.713 2.405 0.223 210 HG2 LYS 26 HG2 LYS 26 6.930 0.623 1.394 211 HG3 LYS 26 HG1 LYS 26 6.632 1.460 2.924 212 HD2 LYS 26 HD2 LYS 26 4.547 0.440 1.008 213 HD3 LYS 26 HD1 LYS 26 4.975 -0.304 2.550 214 HE2 LYS 26 HE2 LYS 26 3.712 2.405 2.115 215 HE3 LYS 26 HE1 LYS 26 2.927 0.972 2.771 216 HZ1 LYS 26 HZ1 LYS 26 3.439 2.226 4.627 217 HZ2 LYS 26 HZ2 LYS 26 4.946 2.718 4.030 218 HZ3 LYS 26 HZ3 LYS 26 4.731 1.125 4.575 219 H ALA 27 HN ALA 27 7.230 3.100 -1.529 220 HA ALA 27 HA ALA 27 8.721 0.883 -2.266 221 HB1 ALA 27 HB1 ALA 27 8.446 3.292 -4.035 222 HB2 ALA 27 HB2 ALA 27 7.067 2.269 -3.649 223 HB3 ALA 27 HB3 ALA 27 8.464 1.586 -4.487 224 H LEU 28 HN LEU 28 9.706 4.295 -2.085 225 HA LEU 28 HA LEU 28 12.280 3.975 -3.155 226 HB2 LEU 28 HB2 LEU 28 10.797 6.039 -1.739 227 HB3 LEU 28 HB1 LEU 28 12.502 6.045 -1.329 228 HG LEU 28 HG LEU 28 11.917 7.586 -3.188 229 HD11 LEU 28 HD11 LEU 28 13.751 6.931 -4.651 230 HD12 LEU 28 HD12 LEU 28 13.751 5.315 -3.945 231 HD13 LEU 28 HD13 LEU 28 14.183 6.710 -2.955 232 HD21 LEU 28 HD21 LEU 28 11.417 6.658 -5.393 233 HD22 LEU 28 HD22 LEU 28 10.153 6.257 -4.229 234 HD23 LEU 28 HD23 LEU 28 11.339 5.038 -4.697 235 H GLN 29 HN GLN 29 11.151 3.885 0.202 236 HA GLN 29 HA GLN 29 13.693 3.674 1.391 237 HB2 GLN 29 HB2 GLN 29 11.621 4.301 2.596 238 HB3 GLN 29 HB1 GLN 29 11.053 2.644 2.442 239 HG2 GLN 29 HG2 GLN 29 12.956 1.875 3.769 240 HG3 GLN 29 HG1 GLN 29 13.506 3.543 3.933 241 HE21 GLN 29 HE21 GLN 29 10.758 4.563 4.170 242 HE22 GLN 29 HE22 GLN 29 10.243 4.155 5.775 243 H TRP 30 HN TRP 30 11.563 1.287 -0.009 244 HA TRP 30 HA TRP 30 13.383 -0.838 0.870 245 HB2 TRP 30 HB2 TRP 30 10.538 -1.002 -0.128 246 HB3 TRP 30 HB1 TRP 30 11.547 -2.402 0.243 247 HD1 TRP 30 HD1 TRP 30 9.659 0.467 1.960 248 HE1 TRP 30 HE1 TRP 30 9.412 -0.095 4.464 249 HE3 TRP 30 HE3 TRP 30 12.593 -3.716 2.139 250 HZ2 TRP 30 HZ2 TRP 30 10.338 -2.062 6.266 251 HZ3 TRP 30 HZ3 TRP 30 12.860 -4.879 4.286 252 HH2 TRP 30 HH2 TRP 30 11.754 -4.067 6.310 253 H HIS 31 HN HIS 31 13.544 1.102 -1.518 254 HA HIS 31 HA HIS 31 13.702 -0.770 -3.723 255 HB2 HIS 31 HB2 HIS 31 14.019 2.145 -3.381 256 HB3 HIS 31 HB1 HIS 31 15.070 1.423 -4.595 257 HD1 HIS 31 HD1 HIS 31 13.212 3.272 -5.805 258 HD2 HIS 31 HD2 HIS 31 12.061 -0.634 -4.957 259 HE1 HIS 31 HE1 HIS 31 11.255 2.799 -7.313 260 HE2 HIS 31 HE2 HIS 31 10.773 0.350 -6.976 261 HA PRO 32 HA PRO 32 17.786 -2.324 -3.031 262 HB2 PRO 32 HB2 PRO 32 18.606 -2.389 -5.683 263 HB3 PRO 32 HB1 PRO 32 17.684 -3.657 -4.870 264 HG2 PRO 32 HG2 PRO 32 16.726 -1.455 -6.644 265 HG3 PRO 32 HG1 PRO 32 16.192 -3.142 -6.561 266 HD2 PRO 32 HD2 PRO 32 14.736 -1.190 -5.468 267 HD3 PRO 32 HD1 PRO 32 14.892 -2.768 -4.667 268 H ASP 33 HN ASP 33 17.217 0.496 -4.991 269 HA ASP 33 HA ASP 33 19.786 1.573 -5.159 270 HB2 ASP 33 HB2 ASP 33 17.159 3.039 -4.821 271 HB3 ASP 33 HB1 ASP 33 18.657 3.749 -5.405 272 H LYS 34 HN LYS 34 17.506 1.494 -2.499 273 HA LYS 34 HA LYS 34 19.279 3.229 -0.920 274 HB2 LYS 34 HB2 LYS 34 16.338 2.726 -0.506 275 HB3 LYS 34 HB1 LYS 34 17.339 3.867 0.369 276 HG2 LYS 34 HG2 LYS 34 16.597 4.007 -2.544 277 HG3 LYS 34 HG1 LYS 34 15.987 5.034 -1.246 278 HD2 LYS 34 HD2 LYS 34 18.204 5.946 -0.888 279 HD3 LYS 34 HD1 LYS 34 18.872 4.865 -2.112 280 HE2 LYS 34 HE2 LYS 34 17.433 5.942 -3.802 281 HE3 LYS 34 HE1 LYS 34 16.851 7.058 -2.566 282 HZ1 LYS 34 HZ1 LYS 34 19.675 6.788 -3.448 283 HZ2 LYS 34 HZ2 LYS 34 19.095 7.886 -2.294 284 HZ3 LYS 34 HZ3 LYS 34 18.615 8.026 -3.914 285 H ASN 35 HN ASN 35 17.586 0.192 -1.031 286 HA ASN 35 HA ASN 35 18.469 -0.486 1.694 287 HB2 ASN 35 HB2 ASN 35 16.035 -0.772 0.940 288 HB3 ASN 35 HB1 ASN 35 16.600 -2.069 -0.104 289 HD21 ASN 35 HD21 ASN 35 15.541 -3.716 0.898 290 HD22 ASN 35 HD22 ASN 35 15.882 -4.249 2.507 291 HA PRO 36 HA PRO 36 21.877 -2.404 -0.164 292 HB2 PRO 36 HB2 PRO 36 22.847 -3.855 1.889 293 HB3 PRO 36 HB1 PRO 36 22.863 -2.088 1.874 294 HG2 PRO 36 HG2 PRO 36 20.936 -3.950 3.210 295 HG3 PRO 36 HG1 PRO 36 21.706 -2.488 3.856 296 HD2 PRO 36 HD2 PRO 36 19.170 -2.510 2.895 297 HD3 PRO 36 HD1 PRO 36 20.224 -1.087 2.790 298 H ASP 37 HN ASP 37 22.050 -5.184 1.714 299 HA ASP 37 HA ASP 37 22.038 -6.627 -0.798 300 HB2 ASP 37 HB2 ASP 37 23.110 -7.293 1.922 301 HB3 ASP 37 HB1 ASP 37 23.093 -8.461 0.606 302 H ASN 38 HN ASN 38 19.819 -6.229 1.684 303 HA ASN 38 HA ASN 38 18.608 -8.832 1.062 304 HB2 ASN 38 HB2 ASN 38 18.110 -6.831 3.259 305 HB3 ASN 38 HB1 ASN 38 16.952 -8.109 2.895 306 HD21 ASN 38 HD21 ASN 38 20.166 -7.391 4.049 307 HD22 ASN 38 HD22 ASN 38 20.454 -8.932 4.780 308 H LYS 39 HN LYS 39 17.681 -8.600 -0.877 309 HA LYS 39 HA LYS 39 16.042 -6.223 -1.342 310 HB2 LYS 39 HB2 LYS 39 17.188 -8.236 -3.276 311 HB3 LYS 39 HB1 LYS 39 16.212 -6.843 -3.731 312 HG2 LYS 39 HG2 LYS 39 17.873 -5.323 -3.117 313 HG3 LYS 39 HG1 LYS 39 18.737 -6.520 -2.150 314 HD2 LYS 39 HD2 LYS 39 19.336 -7.734 -4.168 315 HD3 LYS 39 HD1 LYS 39 18.452 -6.563 -5.152 316 HE2 LYS 39 HE2 LYS 39 20.828 -6.077 -5.209 317 HE3 LYS 39 HE1 LYS 39 19.965 -4.789 -4.368 318 HZ1 LYS 39 HZ1 LYS 39 20.667 -5.698 -2.269 319 HZ2 LYS 39 HZ2 LYS 39 22.030 -5.443 -3.241 320 HZ3 LYS 39 HZ3 LYS 39 21.416 -7.016 -3.032 321 H GLU 40 HN GLU 40 15.819 -9.633 -0.865 322 HA GLU 40 HA GLU 40 13.375 -10.066 -2.239 323 HB2 GLU 40 HB2 GLU 40 14.978 -11.858 -1.415 324 HB3 GLU 40 HB1 GLU 40 14.273 -11.618 0.181 325 HG2 GLU 40 HG2 GLU 40 12.022 -12.047 -0.926 326 HG3 GLU 40 HG1 GLU 40 12.944 -12.632 -2.308 327 H PHE 41 HN PHE 41 14.143 -9.208 1.088 328 HA PHE 41 HA PHE 41 11.468 -9.192 2.021 329 HB2 PHE 41 HB2 PHE 41 13.884 -7.689 3.054 330 HB3 PHE 41 HB1 PHE 41 12.359 -7.875 3.915 331 HD1 PHE 41 HD2 PHE 41 11.649 -10.109 4.688 332 HD2 PHE 41 HD1 PHE 41 15.506 -9.409 3.038 333 HE1 PHE 41 HE2 PHE 41 12.439 -12.231 5.647 334 HE2 PHE 41 HE1 PHE 41 16.303 -11.535 3.986 335 HZ PHE 41 HZ PHE 41 14.766 -12.949 5.294 336 H ALA 42 HN ALA 42 13.554 -6.816 0.538 337 HA ALA 42 HA ALA 42 11.878 -4.569 0.863 338 HB1 ALA 42 HB1 ALA 42 14.129 -5.205 -1.025 339 HB2 ALA 42 HB2 ALA 42 14.140 -4.149 0.392 340 HB3 ALA 42 HB3 ALA 42 13.270 -3.666 -1.061 341 H GLU 43 HN GLU 43 12.272 -6.900 -1.807 342 HA GLU 43 HA GLU 43 10.355 -5.647 -3.472 343 HB2 GLU 43 HB2 GLU 43 10.391 -7.669 -4.822 344 HB3 GLU 43 HB1 GLU 43 12.020 -7.167 -4.405 345 HG2 GLU 43 HG2 GLU 43 12.128 -8.889 -2.698 346 HG3 GLU 43 HG1 GLU 43 10.474 -9.375 -3.072 347 H LYS 44 HN LYS 44 10.107 -8.198 -1.037 348 HA LYS 44 HA LYS 44 7.402 -8.833 -1.417 349 HB2 LYS 44 HB2 LYS 44 9.243 -8.949 0.944 350 HB3 LYS 44 HB1 LYS 44 7.527 -9.263 1.167 351 HG2 LYS 44 HG2 LYS 44 7.634 -11.074 -0.459 352 HG3 LYS 44 HG1 LYS 44 9.349 -10.748 -0.719 353 HD2 LYS 44 HD2 LYS 44 9.904 -11.431 1.480 354 HD3 LYS 44 HD1 LYS 44 8.212 -11.437 1.980 355 HE2 LYS 44 HE2 LYS 44 9.038 -13.708 1.633 356 HE3 LYS 44 HE1 LYS 44 7.763 -13.310 0.486 357 HZ1 LYS 44 HZ1 LYS 44 9.461 -14.426 -0.692 358 HZ2 LYS 44 HZ2 LYS 44 10.681 -13.449 -0.037 359 HZ3 LYS 44 HZ3 LYS 44 9.566 -12.792 -1.142 360 H LYS 45 HN LYS 45 8.926 -6.241 0.451 361 HA LYS 45 HA LYS 45 6.456 -5.221 1.455 362 HB2 LYS 45 HB2 LYS 45 9.225 -4.049 1.281 363 HB3 LYS 45 HB1 LYS 45 7.858 -3.163 1.949 364 HG2 LYS 45 HG2 LYS 45 9.057 -5.722 2.971 365 HG3 LYS 45 HG1 LYS 45 9.026 -4.148 3.768 366 HD2 LYS 45 HD2 LYS 45 6.569 -4.285 3.851 367 HD3 LYS 45 HD1 LYS 45 6.663 -5.882 3.127 368 HE2 LYS 45 HE2 LYS 45 7.992 -6.647 5.045 369 HE3 LYS 45 HE1 LYS 45 7.799 -5.061 5.786 370 HZ1 LYS 45 HZ1 LYS 45 5.428 -5.396 5.874 371 HZ2 LYS 45 HZ2 LYS 45 6.200 -6.707 6.626 372 HZ3 LYS 45 HZ3 LYS 45 5.560 -6.879 5.059 373 H PHE 46 HN PHE 46 8.469 -4.554 -1.341 374 HA PHE 46 HA PHE 46 7.038 -2.361 -2.361 375 HB2 PHE 46 HB2 PHE 46 9.264 -3.148 -3.187 376 HB3 PHE 46 HB1 PHE 46 8.460 -4.523 -3.939 377 HD1 PHE 46 HD1 PHE 46 8.756 -0.845 -3.982 378 HD2 PHE 46 HD2 PHE 46 7.403 -4.318 -6.035 379 HE1 PHE 46 HE1 PHE 46 8.377 0.501 -6.006 380 HE2 PHE 46 HE2 PHE 46 7.019 -2.977 -8.061 381 HZ PHE 46 HZ PHE 46 7.509 -0.561 -8.047 382 H LYS 47 HN LYS 47 6.607 -5.848 -2.716 383 HA LYS 47 HA LYS 47 4.363 -5.756 -4.429 384 HB2 LYS 47 HB2 LYS 47 5.611 -7.818 -4.088 385 HB3 LYS 47 HB1 LYS 47 5.185 -7.826 -2.381 386 HG2 LYS 47 HG2 LYS 47 2.822 -8.102 -2.988 387 HG3 LYS 47 HG1 LYS 47 3.282 -8.138 -4.691 388 HD2 LYS 47 HD2 LYS 47 4.645 -10.131 -4.275 389 HD3 LYS 47 HD1 LYS 47 4.177 -10.093 -2.574 390 HE2 LYS 47 HE2 LYS 47 2.267 -10.388 -4.888 391 HE3 LYS 47 HE1 LYS 47 2.879 -11.720 -3.911 392 HZ1 LYS 47 HZ1 LYS 47 1.830 -10.746 -1.974 393 HZ2 LYS 47 HZ2 LYS 47 0.686 -11.004 -3.193 394 HZ3 LYS 47 HZ3 LYS 47 1.260 -9.439 -2.890 395 H GLU 48 HN GLU 48 4.691 -5.723 -0.908 396 HA GLU 48 HA GLU 48 1.963 -5.970 -0.291 397 HB2 GLU 48 HB2 GLU 48 4.290 -4.829 1.228 398 HB3 GLU 48 HB1 GLU 48 2.662 -4.801 1.891 399 HG2 GLU 48 HG2 GLU 48 2.608 -7.295 1.537 400 HG3 GLU 48 HG1 GLU 48 4.338 -7.190 1.201 401 H VAL 49 HN VAL 49 3.980 -3.076 -0.757 402 HA VAL 49 HA VAL 49 1.826 -1.292 -0.211 403 HB VAL 49 HB VAL 49 4.074 -0.455 0.027 404 HG11 VAL 49 HG11 VAL 49 4.427 -0.721 -2.949 405 HG12 VAL 49 HG12 VAL 49 5.069 -1.871 -1.781 406 HG13 VAL 49 HG13 VAL 49 5.625 -0.197 -1.764 407 HG21 VAL 49 HG21 VAL 49 3.881 1.636 -1.105 408 HG22 VAL 49 HG22 VAL 49 2.255 1.099 -0.676 409 HG23 VAL 49 HG23 VAL 49 2.831 0.933 -2.331 410 H ALA 50 HN ALA 50 3.114 -2.754 -3.156 411 HA ALA 50 HA ALA 50 1.663 -1.219 -5.001 412 HB1 ALA 50 HB1 ALA 50 2.431 -4.107 -5.350 413 HB2 ALA 50 HB2 ALA 50 3.557 -2.764 -5.521 414 HB3 ALA 50 HB3 ALA 50 2.176 -2.898 -6.610 415 H GLU 51 HN GLU 51 0.815 -4.280 -3.395 416 HA GLU 51 HA GLU 51 -1.666 -4.547 -4.773 417 HB2 GLU 51 HB2 GLU 51 -2.133 -6.331 -3.120 418 HB3 GLU 51 HB1 GLU 51 -0.559 -6.510 -3.879 419 HG2 GLU 51 HG2 GLU 51 0.456 -5.441 -1.871 420 HG3 GLU 51 HG1 GLU 51 -1.132 -5.472 -1.116 421 H ALA 52 HN ALA 52 -0.731 -3.306 -1.607 422 HA ALA 52 HA ALA 52 -3.394 -3.006 -0.667 423 HB1 ALA 52 HB1 ALA 52 -1.346 -3.329 0.737 424 HB2 ALA 52 HB2 ALA 52 -2.431 -2.039 1.269 425 HB3 ALA 52 HB3 ALA 52 -0.943 -1.642 0.408 426 H TYR 53 HN TYR 53 -1.026 -0.797 -2.099 427 HA TYR 53 HA TYR 53 -2.667 1.505 -1.765 428 HB2 TYR 53 HB2 TYR 53 -0.833 2.613 -2.420 429 HB3 TYR 53 HB1 TYR 53 -0.022 1.058 -2.475 430 HD1 TYR 53 HD2 TYR 53 0.400 -0.044 -4.633 431 HD2 TYR 53 HD1 TYR 53 -1.458 3.775 -4.432 432 HE1 TYR 53 HE2 TYR 53 0.875 0.307 -7.022 433 HE2 TYR 53 HE1 TYR 53 -0.985 4.138 -6.812 434 HH TYR 53 HH TYR 53 -0.049 1.692 -8.911 435 H GLU 54 HN GLU 54 -2.270 -0.915 -4.261 436 HA GLU 54 HA GLU 54 -3.739 0.290 -6.321 437 HB2 GLU 54 HB2 GLU 54 -2.362 -1.778 -6.518 438 HB3 GLU 54 HB1 GLU 54 -3.600 -2.651 -5.630 439 HG2 GLU 54 HG2 GLU 54 -5.210 -2.138 -7.413 440 HG3 GLU 54 HG1 GLU 54 -3.926 -1.329 -8.312 441 H VAL 55 HN VAL 55 -4.792 -1.740 -3.602 442 HA VAL 55 HA VAL 55 -7.553 -1.729 -4.278 443 HB VAL 55 HB VAL 55 -6.257 -2.138 -1.570 444 HG11 VAL 55 HG11 VAL 55 -9.041 -2.763 -2.541 445 HG12 VAL 55 HG12 VAL 55 -8.585 -1.672 -1.232 446 HG13 VAL 55 HG13 VAL 55 -8.344 -3.408 -1.058 447 HG21 VAL 55 HG21 VAL 55 -7.103 -4.149 -3.652 448 HG22 VAL 55 HG22 VAL 55 -6.473 -4.525 -2.049 449 HG23 VAL 55 HG23 VAL 55 -5.444 -3.720 -3.233 450 H LEU 56 HN LEU 56 -5.569 0.264 -2.140 451 HA LEU 56 HA LEU 56 -7.761 1.738 -1.088 452 HB2 LEU 56 HB2 LEU 56 -5.694 1.391 0.154 453 HB3 LEU 56 HB1 LEU 56 -4.803 2.318 -1.032 454 HG LEU 56 HG LEU 56 -5.990 4.344 -0.382 455 HD11 LEU 56 HD11 LEU 56 -7.510 4.353 1.525 456 HD12 LEU 56 HD12 LEU 56 -7.413 2.596 1.594 457 HD13 LEU 56 HD13 LEU 56 -8.136 3.380 0.194 458 HD21 LEU 56 HD21 LEU 56 -3.953 3.750 0.824 459 HD22 LEU 56 HD22 LEU 56 -4.908 2.837 1.992 460 HD23 LEU 56 HD23 LEU 56 -5.095 4.587 1.875 461 H SER 57 HN SER 57 -5.999 2.032 -4.022 462 HA SER 57 HA SER 57 -6.503 4.861 -4.334 463 HB2 SER 57 HB2 SER 57 -5.481 2.809 -6.306 464 HB3 SER 57 HB1 SER 57 -5.588 4.541 -6.621 465 HG SER 57 HG SER 57 -4.009 3.229 -4.659 466 H ASP 58 HN ASP 58 -8.290 2.000 -4.872 467 HA ASP 58 HA ASP 58 -9.966 3.350 -6.883 468 HB2 ASP 58 HB2 ASP 58 -9.013 1.264 -7.687 469 HB3 ASP 58 HB1 ASP 58 -9.655 0.402 -6.289 470 H LYS 59 HN LYS 59 -11.875 4.023 -6.310 471 HA LYS 59 HA LYS 59 -12.888 3.880 -3.725 472 HB2 LYS 59 HB2 LYS 59 -14.876 4.889 -4.629 473 HB3 LYS 59 HB1 LYS 59 -13.460 5.669 -5.289 474 HG2 LYS 59 HG2 LYS 59 -15.098 3.584 -6.723 475 HG3 LYS 59 HG1 LYS 59 -15.359 5.318 -6.873 476 HD2 LYS 59 HD2 LYS 59 -13.004 5.526 -7.685 477 HD3 LYS 59 HD1 LYS 59 -12.907 3.763 -7.672 478 HE2 LYS 59 HE2 LYS 59 -13.417 4.625 -9.905 479 HE3 LYS 59 HE1 LYS 59 -14.721 3.620 -9.272 480 HZ1 LYS 59 HZ1 LYS 59 -16.028 5.516 -8.813 481 HZ2 LYS 59 HZ2 LYS 59 -15.421 5.740 -10.381 482 HZ3 LYS 59 HZ3 LYS 59 -14.734 6.579 -9.075 483 H HIS 60 HN HIS 60 -13.719 2.045 -6.580 484 HA HIS 60 HA HIS 60 -15.905 0.629 -5.523 485 HB2 HIS 60 HB2 HIS 60 -15.454 0.734 -7.926 486 HB3 HIS 60 HB1 HIS 60 -13.962 -0.169 -7.707 487 HD1 HIS 60 HD1 HIS 60 -17.722 -0.631 -7.503 488 HD2 HIS 60 HD2 HIS 60 -14.238 -2.898 -7.754 489 HE1 HIS 60 HE1 HIS 60 -18.475 -2.994 -7.930 490 HE2 HIS 60 HE2 HIS 60 -16.355 -4.350 -8.101 491 H LYS 61 HN LYS 61 -12.452 -0.058 -5.604 492 HA LYS 61 HA LYS 61 -12.644 -2.575 -4.308 493 HB2 LYS 61 HB2 LYS 61 -10.684 -1.230 -5.629 494 HB3 LYS 61 HB1 LYS 61 -10.160 -1.018 -3.966 495 HG2 LYS 61 HG2 LYS 61 -9.168 -2.985 -5.125 496 HG3 LYS 61 HG1 LYS 61 -10.014 -3.367 -3.628 497 HD2 LYS 61 HD2 LYS 61 -10.436 -4.941 -5.549 498 HD3 LYS 61 HD1 LYS 61 -11.875 -4.259 -4.795 499 HE2 LYS 61 HE2 LYS 61 -12.109 -4.246 -7.203 500 HE3 LYS 61 HE1 LYS 61 -12.012 -2.598 -6.590 501 HZ1 LYS 61 HZ1 LYS 61 -10.691 -2.827 -8.560 502 HZ2 LYS 61 HZ2 LYS 61 -9.820 -4.121 -7.895 503 HZ3 LYS 61 HZ3 LYS 61 -9.659 -2.564 -7.240 504 H ARG 62 HN ARG 62 -12.317 0.744 -3.178 505 HA ARG 62 HA ARG 62 -11.770 0.211 -0.470 506 HB2 ARG 62 HB2 ARG 62 -13.221 2.498 -1.795 507 HB3 ARG 62 HB1 ARG 62 -12.893 2.452 -0.071 508 HG2 ARG 62 HG2 ARG 62 -10.493 2.396 -0.533 509 HG3 ARG 62 HG1 ARG 62 -10.832 2.447 -2.266 510 HD2 ARG 62 HD2 ARG 62 -11.904 4.604 -2.032 511 HD3 ARG 62 HD1 ARG 62 -11.711 4.543 -0.282 512 HE ARG 62 HE ARG 62 -9.196 4.328 -1.563 513 HH11 ARG 62 HH11 ARG 62 -11.708 6.675 -0.861 514 HH12 ARG 62 HH12 ARG 62 -10.603 8.021 -0.809 515 HH21 ARG 62 HH21 ARG 62 -7.756 6.078 -1.479 516 HH22 ARG 62 HH22 ARG 62 -8.343 7.675 -1.124 517 H GLU 63 HN GLU 63 -14.872 0.647 -2.172 518 HA GLU 63 HA GLU 63 -16.403 0.335 0.210 519 HB2 GLU 63 HB2 GLU 63 -18.361 0.193 -1.300 520 HB3 GLU 63 HB1 GLU 63 -17.350 1.597 -1.601 521 HG2 GLU 63 HG2 GLU 63 -16.408 0.568 -3.550 522 HG3 GLU 63 HG1 GLU 63 -17.250 -0.942 -3.205 523 H ILE 64 HN ILE 64 -15.373 -1.864 -2.341 524 HA ILE 64 HA ILE 64 -16.833 -4.109 -1.447 525 HB ILE 64 HB ILE 64 -14.534 -3.684 -3.268 526 HG12 ILE 64 HG12 ILE 64 -15.861 -5.161 -4.716 527 HG13 ILE 64 HG11 ILE 64 -16.974 -5.469 -3.390 528 HG21 ILE 64 HG21 ILE 64 -15.050 -6.410 -2.091 529 HG22 ILE 64 HG22 ILE 64 -13.617 -5.423 -1.803 530 HG23 ILE 64 HG23 ILE 64 -13.954 -6.040 -3.420 531 HD11 ILE 64 HD11 ILE 64 -16.506 -2.815 -4.727 532 HD12 ILE 64 HD12 ILE 64 -17.622 -3.121 -3.396 533 HD13 ILE 64 HD13 ILE 64 -17.894 -3.877 -4.967 534 H TYR 65 HN TYR 65 -13.600 -2.887 -0.635 535 HA TYR 65 HA TYR 65 -12.940 -4.966 1.158 536 HB2 TYR 65 HB2 TYR 65 -11.248 -3.421 0.246 537 HB3 TYR 65 HB1 TYR 65 -11.984 -2.093 1.138 538 HD1 TYR 65 HD1 TYR 65 -10.237 -5.343 1.574 539 HD2 TYR 65 HD2 TYR 65 -11.389 -1.662 3.370 540 HE1 TYR 65 HE1 TYR 65 -8.833 -5.861 3.525 541 HE2 TYR 65 HE2 TYR 65 -9.982 -2.166 5.321 542 HH TYR 65 HH TYR 65 -7.724 -4.763 5.351 543 H ASP 66 HN ASP 66 -14.688 -1.948 1.509 544 HA ASP 66 HA ASP 66 -14.761 -1.821 4.318 545 HB2 ASP 66 HB2 ASP 66 -15.295 0.098 2.942 546 HB3 ASP 66 HB1 ASP 66 -16.660 -0.744 2.230 547 H ARG 67 HN ARG 67 -17.167 -3.118 1.998 548 HA ARG 67 HA ARG 67 -18.726 -4.134 4.213 549 HB2 ARG 67 HB2 ARG 67 -20.285 -4.886 2.464 550 HB3 ARG 67 HB1 ARG 67 -19.892 -3.176 2.346 551 HG2 ARG 67 HG2 ARG 67 -18.098 -3.978 0.641 552 HG3 ARG 67 HG1 ARG 67 -19.105 -5.427 0.554 553 HD2 ARG 67 HD2 ARG 67 -20.021 -2.606 0.116 554 HD3 ARG 67 HD1 ARG 67 -19.712 -3.790 -1.158 555 HE ARG 67 HE ARG 67 -21.513 -5.077 0.367 556 HH11 ARG 67 HH11 ARG 67 -21.514 -1.801 -0.902 557 HH12 ARG 67 HH12 ARG 67 -23.240 -1.755 -1.078 558 HH21 ARG 67 HH21 ARG 67 -23.780 -4.994 0.114 559 HH22 ARG 67 HH22 ARG 67 -24.517 -3.547 -0.519 560 H TYR 68 HN TYR 68 -16.837 -5.576 1.549 561 HA TYR 68 HA TYR 68 -17.699 -8.225 2.439 562 HB2 TYR 68 HB2 TYR 68 -17.867 -7.544 0.039 563 HB3 TYR 68 HB1 TYR 68 -16.113 -7.450 -0.019 564 HD1 TYR 68 HD1 TYR 68 -18.778 -9.882 0.958 565 HD2 TYR 68 HD2 TYR 68 -14.991 -9.273 -0.878 566 HE1 TYR 68 HE1 TYR 68 -18.703 -12.258 0.338 567 HE2 TYR 68 HE2 TYR 68 -14.901 -11.650 -1.495 568 HH TYR 68 HH TYR 68 -15.881 -13.790 -0.749 569 H GLY 69 HN GLY 69 -15.090 -6.143 2.839 570 HA2 GLY 69 HA2 GLY 69 -13.028 -8.146 3.066 571 HA3 GLY 69 HA1 GLY 69 -12.921 -6.457 3.548 572 H ARG 70 HN ARG 70 -14.842 -6.139 5.287 573 HA ARG 70 HA ARG 70 -13.775 -7.249 7.646 574 HB2 ARG 70 HB2 ARG 70 -16.327 -5.706 7.205 575 HB3 ARG 70 HB1 ARG 70 -15.643 -6.077 8.782 576 HG2 ARG 70 HG2 ARG 70 -14.407 -4.384 6.626 577 HG3 ARG 70 HG1 ARG 70 -15.057 -3.832 8.172 578 HD2 ARG 70 HD2 ARG 70 -12.654 -5.608 7.751 579 HD3 ARG 70 HD1 ARG 70 -12.636 -3.928 8.284 580 HE ARG 70 HE ARG 70 -14.101 -5.005 10.209 581 HH11 ARG 70 HH11 ARG 70 -11.201 -6.275 8.696 582 HH12 ARG 70 HH12 ARG 70 -10.653 -7.087 10.136 583 HH21 ARG 70 HH21 ARG 70 -13.383 -6.075 12.103 584 HH22 ARG 70 HH22 ARG 70 -11.893 -6.970 12.075 585 H GLU 71 HN GLU 71 -16.395 -8.308 5.608 586 HA GLU 71 HA GLU 71 -17.860 -9.838 7.440 587 HB2 GLU 71 HB2 GLU 71 -17.359 -10.310 4.500 588 HB3 GLU 71 HB1 GLU 71 -18.520 -11.217 5.454 589 HG2 GLU 71 HG2 GLU 71 -18.582 -8.264 4.906 590 HG3 GLU 71 HG1 GLU 71 -19.604 -9.488 4.158 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -7.351 8.744 13.832 2 H2 MET 1 HT2 MET 1 -8.582 8.179 12.813 3 H3 MET 1 HT3 MET 1 -7.131 8.751 12.148 4 HA MET 1 HA MET 1 -5.914 6.934 13.127 5 HB2 MET 1 HB2 MET 1 -8.645 5.977 14.024 6 HB3 MET 1 HB1 MET 1 -7.138 5.092 14.202 7 HG2 MET 1 HG2 MET 1 -7.823 7.704 15.530 8 HG3 MET 1 HG1 MET 1 -7.830 6.115 16.293 9 HE1 MET 1 HE1 MET 1 -6.255 8.591 17.518 10 HE2 MET 1 HE2 MET 1 -4.746 7.802 17.979 11 HE3 MET 1 HE3 MET 1 -6.285 6.978 18.230 12 H ALA 2 HN ALA 2 -5.570 5.114 11.811 13 HA ALA 2 HA ALA 2 -7.590 4.019 10.133 14 HB1 ALA 2 HB1 ALA 2 -6.919 4.801 7.988 15 HB2 ALA 2 HB2 ALA 2 -5.530 5.651 8.660 16 HB3 ALA 2 HB3 ALA 2 -7.163 6.228 8.996 17 H SER 3 HN SER 3 -6.933 2.134 9.177 18 HA SER 3 HA SER 3 -4.367 1.081 9.976 19 HB2 SER 3 HB2 SER 3 -6.511 -0.180 8.240 20 HB3 SER 3 HB1 SER 3 -5.160 -1.016 9.010 21 HG SER 3 HG SER 3 -6.884 0.484 10.622 22 H TYR 4 HN TYR 4 -5.652 2.816 7.372 23 HA TYR 4 HA TYR 4 -3.961 1.893 5.280 24 HB2 TYR 4 HB2 TYR 4 -5.165 4.661 5.608 25 HB3 TYR 4 HB1 TYR 4 -4.542 3.965 4.120 26 HD1 TYR 4 HD2 TYR 4 -5.719 1.815 3.269 27 HD2 TYR 4 HD1 TYR 4 -7.427 4.472 6.116 28 HE1 TYR 4 HE2 TYR 4 -7.956 0.945 2.728 29 HE2 TYR 4 HE1 TYR 4 -9.668 3.612 5.585 30 HH TYR 4 HH TYR 4 -10.851 2.471 3.879 31 H TYR 5 HN TYR 5 -3.575 3.999 7.965 32 HA TYR 5 HA TYR 5 -1.296 5.453 7.266 33 HB2 TYR 5 HB2 TYR 5 -2.808 5.671 9.331 34 HB3 TYR 5 HB1 TYR 5 -1.874 4.348 10.018 35 HD1 TYR 5 HD2 TYR 5 0.609 4.692 10.405 36 HD2 TYR 5 HD1 TYR 5 -2.022 7.877 9.386 37 HE1 TYR 5 HE2 TYR 5 2.256 6.313 11.242 38 HE2 TYR 5 HE1 TYR 5 -0.382 9.504 10.223 39 HH TYR 5 HH TYR 5 2.797 8.766 10.801 40 H GLU 6 HN GLU 6 -1.714 2.205 8.567 41 HA GLU 6 HA GLU 6 1.060 1.698 8.922 42 HB2 GLU 6 HB2 GLU 6 -1.330 -0.128 8.824 43 HB3 GLU 6 HB1 GLU 6 0.306 -0.687 9.152 44 HG2 GLU 6 HG2 GLU 6 -1.180 1.358 10.763 45 HG3 GLU 6 HG1 GLU 6 -1.013 -0.347 11.192 46 H ILE 7 HN ILE 7 -1.284 0.949 6.353 47 HA ILE 7 HA ILE 7 0.457 -0.862 5.030 48 HB ILE 7 HB ILE 7 -1.216 -0.746 3.177 49 HG12 ILE 7 HG12 ILE 7 -2.894 0.841 5.082 50 HG13 ILE 7 HG11 ILE 7 -1.846 1.659 3.937 51 HG21 ILE 7 HG21 ILE 7 -2.787 -2.065 4.306 52 HG22 ILE 7 HG22 ILE 7 -2.582 -1.172 5.813 53 HG23 ILE 7 HG23 ILE 7 -1.307 -2.263 5.252 54 HD11 ILE 7 HD11 ILE 7 -3.011 0.469 2.107 55 HD12 ILE 7 HD12 ILE 7 -4.054 1.515 3.060 56 HD13 ILE 7 HD13 ILE 7 -4.101 -0.224 3.309 57 H LEU 8 HN LEU 8 -0.471 2.510 4.444 58 HA LEU 8 HA LEU 8 1.664 2.679 2.435 59 HB2 LEU 8 HB2 LEU 8 -0.334 4.851 3.015 60 HB3 LEU 8 HB1 LEU 8 0.643 4.621 1.578 61 HG LEU 8 HG LEU 8 -1.651 2.882 2.436 62 HD11 LEU 8 HD11 LEU 8 -2.387 5.078 1.718 63 HD12 LEU 8 HD12 LEU 8 -2.817 3.858 0.520 64 HD13 LEU 8 HD13 LEU 8 -1.444 4.927 0.236 65 HD21 LEU 8 HD21 LEU 8 0.047 1.637 1.190 66 HD22 LEU 8 HD22 LEU 8 -0.006 2.843 -0.096 67 HD23 LEU 8 HD23 LEU 8 -1.421 1.843 0.234 68 H ASP 9 HN ASP 9 0.248 4.938 4.717 69 HA ASP 9 HA ASP 9 2.267 5.449 6.477 70 HB2 ASP 9 HB2 ASP 9 3.778 5.931 4.607 71 HB3 ASP 9 HB1 ASP 9 2.638 7.113 3.971 72 H VAL 10 HN VAL 10 -0.165 6.687 4.369 73 HA VAL 10 HA VAL 10 -0.962 8.689 6.372 74 HB VAL 10 HB VAL 10 -1.926 10.006 4.494 75 HG11 VAL 10 HG11 VAL 10 1.029 9.441 4.280 76 HG12 VAL 10 HG12 VAL 10 0.259 10.588 5.377 77 HG13 VAL 10 HG13 VAL 10 0.208 10.864 3.635 78 HG21 VAL 10 HG21 VAL 10 -1.252 9.501 2.195 79 HG22 VAL 10 HG22 VAL 10 -2.218 8.195 2.882 80 HG23 VAL 10 HG23 VAL 10 -0.468 8.020 2.750 81 HA PRO 11 HA PRO 11 -4.914 6.677 6.387 82 HB2 PRO 11 HB2 PRO 11 -6.469 8.622 7.374 83 HB3 PRO 11 HB1 PRO 11 -5.198 7.874 8.349 84 HG2 PRO 11 HG2 PRO 11 -5.182 10.491 6.900 85 HG3 PRO 11 HG1 PRO 11 -4.562 10.101 8.514 86 HD2 PRO 11 HD2 PRO 11 -2.999 10.284 6.257 87 HD3 PRO 11 HD1 PRO 11 -2.577 9.329 7.692 88 H ARG 12 HN ARG 12 -7.347 7.299 5.827 89 HA ARG 12 HA ARG 12 -7.347 7.675 2.991 90 HB2 ARG 12 HB2 ARG 12 -9.784 7.346 3.187 91 HB3 ARG 12 HB1 ARG 12 -8.861 6.059 3.945 92 HG2 ARG 12 HG2 ARG 12 -9.271 7.101 6.133 93 HG3 ARG 12 HG1 ARG 12 -10.229 8.352 5.340 94 HD2 ARG 12 HD2 ARG 12 -11.735 6.576 4.480 95 HD3 ARG 12 HD1 ARG 12 -10.818 5.396 5.417 96 HE ARG 12 HE ARG 12 -12.147 7.671 6.731 97 HH11 ARG 12 HH11 ARG 12 -11.709 4.224 6.330 98 HH12 ARG 12 HH12 ARG 12 -12.603 3.813 7.766 99 HH21 ARG 12 HH21 ARG 12 -13.351 7.134 8.593 100 HH22 ARG 12 HH22 ARG 12 -13.538 5.465 9.040 101 H SER 13 HN SER 13 -7.806 9.702 5.683 102 HA SER 13 HA SER 13 -9.321 11.767 4.524 103 HB2 SER 13 HB2 SER 13 -8.732 11.462 6.984 104 HB3 SER 13 HB1 SER 13 -7.158 12.152 6.599 105 HG SER 13 HG SER 13 -9.468 13.412 7.078 106 H ALA 14 HN ALA 14 -6.031 10.803 4.128 107 HA ALA 14 HA ALA 14 -5.059 13.269 3.053 108 HB1 ALA 14 HB1 ALA 14 -3.073 12.090 2.527 109 HB2 ALA 14 HB2 ALA 14 -3.898 10.534 2.577 110 HB3 ALA 14 HB3 ALA 14 -3.638 11.443 4.067 111 H SER 15 HN SER 15 -4.674 13.763 0.864 112 HA SER 15 HA SER 15 -6.836 13.018 -0.822 113 HB2 SER 15 HB2 SER 15 -4.318 14.510 -1.585 114 HB3 SER 15 HB1 SER 15 -5.880 14.562 -2.406 115 HG SER 15 HG SER 15 -5.204 16.287 -0.738 116 H ALA 16 HN ALA 16 -6.615 12.142 -3.018 117 HA ALA 16 HA ALA 16 -5.458 9.626 -3.070 118 HB1 ALA 16 HB1 ALA 16 -5.869 9.619 -5.464 119 HB2 ALA 16 HB2 ALA 16 -6.079 11.369 -5.436 120 HB3 ALA 16 HB3 ALA 16 -7.227 10.333 -4.593 121 H ASP 17 HN ASP 17 -4.133 12.690 -4.117 122 HA ASP 17 HA ASP 17 -1.816 11.765 -5.389 123 HB2 ASP 17 HB2 ASP 17 -2.304 14.334 -3.870 124 HB3 ASP 17 HB1 ASP 17 -0.914 14.036 -4.906 125 H ASP 18 HN ASP 18 -2.472 12.523 -2.005 126 HA ASP 18 HA ASP 18 0.126 12.146 -0.999 127 HB2 ASP 18 HB2 ASP 18 -2.571 11.790 0.312 128 HB3 ASP 18 HB1 ASP 18 -1.049 11.638 1.180 129 H ILE 19 HN ILE 19 -2.586 9.904 -1.380 130 HA ILE 19 HA ILE 19 -1.335 7.640 -0.299 131 HB ILE 19 HB ILE 19 -3.609 8.023 -2.202 132 HG12 ILE 19 HG12 ILE 19 -4.691 6.623 -0.309 133 HG13 ILE 19 HG11 ILE 19 -3.234 7.024 0.595 134 HG21 ILE 19 HG21 ILE 19 -2.446 6.040 -3.045 135 HG22 ILE 19 HG22 ILE 19 -4.008 5.638 -2.335 136 HG23 ILE 19 HG23 ILE 19 -2.522 5.317 -1.438 137 HD11 ILE 19 HD11 ILE 19 -5.431 8.790 -0.340 138 HD12 ILE 19 HD12 ILE 19 -3.811 9.449 -0.135 139 HD13 ILE 19 HD13 ILE 19 -4.638 8.704 1.236 140 H LYS 20 HN LYS 20 -1.496 8.781 -3.666 141 HA LYS 20 HA LYS 20 0.090 6.761 -4.792 142 HB2 LYS 20 HB2 LYS 20 -1.202 8.318 -6.163 143 HB3 LYS 20 HB1 LYS 20 -0.189 9.655 -5.632 144 HG2 LYS 20 HG2 LYS 20 1.741 8.631 -6.721 145 HG3 LYS 20 HG1 LYS 20 0.731 7.283 -7.247 146 HD2 LYS 20 HD2 LYS 20 0.277 10.169 -8.000 147 HD3 LYS 20 HD1 LYS 20 1.109 8.986 -9.011 148 HE2 LYS 20 HE2 LYS 20 -1.728 8.720 -8.026 149 HE3 LYS 20 HE1 LYS 20 -1.272 9.313 -9.622 150 HZ1 LYS 20 HZ1 LYS 20 -0.178 7.159 -10.017 151 HZ2 LYS 20 HZ2 LYS 20 -1.843 7.002 -9.750 152 HZ3 LYS 20 HZ3 LYS 20 -0.748 6.600 -8.525 153 H LYS 21 HN LYS 21 1.000 9.844 -3.292 154 HA LYS 21 HA LYS 21 3.778 9.521 -3.806 155 HB2 LYS 21 HB2 LYS 21 2.207 11.313 -1.994 156 HB3 LYS 21 HB1 LYS 21 3.961 11.248 -1.888 157 HG2 LYS 21 HG2 LYS 21 2.314 12.028 -4.279 158 HG3 LYS 21 HG1 LYS 21 3.376 13.061 -3.320 159 HD2 LYS 21 HD2 LYS 21 4.215 10.726 -5.039 160 HD3 LYS 21 HD1 LYS 21 4.468 12.434 -5.398 161 HE2 LYS 21 HE2 LYS 21 5.562 11.116 -2.927 162 HE3 LYS 21 HE1 LYS 21 6.450 11.149 -4.450 163 HZ1 LYS 21 HZ1 LYS 21 6.537 13.507 -4.379 164 HZ2 LYS 21 HZ2 LYS 21 6.999 12.966 -2.840 165 HZ3 LYS 21 HZ3 LYS 21 5.445 13.590 -3.081 166 H ALA 22 HN ALA 22 1.708 8.654 -1.090 167 HA ALA 22 HA ALA 22 3.697 7.695 0.640 168 HB1 ALA 22 HB1 ALA 22 0.981 6.438 0.311 169 HB2 ALA 22 HB2 ALA 22 1.214 7.986 1.119 170 HB3 ALA 22 HB3 ALA 22 1.971 6.527 1.767 171 H TYR 23 HN TYR 23 1.942 6.179 -2.003 172 HA TYR 23 HA TYR 23 3.170 3.649 -1.864 173 HB2 TYR 23 HB2 TYR 23 1.352 3.457 -3.182 174 HB3 TYR 23 HB1 TYR 23 1.443 5.124 -3.730 175 HD1 TYR 23 HD2 TYR 23 2.726 1.699 -4.334 176 HD2 TYR 23 HD1 TYR 23 2.394 5.668 -5.823 177 HE1 TYR 23 HE2 TYR 23 3.501 0.932 -6.536 178 HE2 TYR 23 HE1 TYR 23 3.161 4.913 -8.028 179 HH TYR 23 HH TYR 23 3.297 1.678 -8.922 180 H ARG 24 HN ARG 24 3.975 6.556 -3.775 181 HA ARG 24 HA ARG 24 6.149 5.482 -5.128 182 HB2 ARG 24 HB2 ARG 24 4.895 8.012 -4.795 183 HB3 ARG 24 HB1 ARG 24 6.624 8.242 -4.600 184 HG2 ARG 24 HG2 ARG 24 6.948 7.003 -6.741 185 HG3 ARG 24 HG1 ARG 24 5.192 6.997 -6.915 186 HD2 ARG 24 HD2 ARG 24 5.087 9.281 -7.260 187 HD3 ARG 24 HD1 ARG 24 6.640 9.563 -6.472 188 HE ARG 24 HE ARG 24 7.643 8.444 -8.479 189 HH11 ARG 24 HH11 ARG 24 4.585 10.152 -8.696 190 HH12 ARG 24 HH12 ARG 24 4.718 10.412 -10.411 191 HH21 ARG 24 HH21 ARG 24 7.809 8.791 -10.726 192 HH22 ARG 24 HH22 ARG 24 6.554 9.673 -11.547 193 H ARG 25 HN ARG 25 6.008 7.132 -1.992 194 HA ARG 25 HA ARG 25 8.785 6.970 -1.451 195 HB2 ARG 25 HB2 ARG 25 7.574 8.492 -0.140 196 HB3 ARG 25 HB1 ARG 25 6.328 7.313 0.241 197 HG2 ARG 25 HG2 ARG 25 7.901 6.096 1.645 198 HG3 ARG 25 HG1 ARG 25 9.153 7.286 1.277 199 HD2 ARG 25 HD2 ARG 25 7.886 9.027 2.342 200 HD3 ARG 25 HD1 ARG 25 6.513 7.945 2.570 201 HE ARG 25 HE ARG 25 8.956 7.044 3.812 202 HH11 ARG 25 HH11 ARG 25 6.109 9.033 4.195 203 HH12 ARG 25 HH12 ARG 25 6.047 8.848 5.918 204 HH21 ARG 25 HH21 ARG 25 8.904 6.804 6.078 205 HH22 ARG 25 HH22 ARG 25 7.686 7.630 7.004 206 H LYS 26 HN LYS 26 6.062 4.877 -0.571 207 HA LYS 26 HA LYS 26 7.504 2.915 0.802 208 HB2 LYS 26 HB2 LYS 26 5.057 3.047 0.838 209 HB3 LYS 26 HB1 LYS 26 4.995 2.627 -0.868 210 HG2 LYS 26 HG2 LYS 26 4.434 0.726 0.548 211 HG3 LYS 26 HG1 LYS 26 5.903 0.431 -0.387 212 HD2 LYS 26 HD2 LYS 26 6.279 -0.362 1.836 213 HD3 LYS 26 HD1 LYS 26 7.215 1.108 1.604 214 HE2 LYS 26 HE2 LYS 26 6.236 1.238 3.769 215 HE3 LYS 26 HE1 LYS 26 5.368 2.369 2.733 216 HZ1 LYS 26 HZ1 LYS 26 3.852 1.110 4.109 217 HZ2 LYS 26 HZ2 LYS 26 4.443 -0.355 3.494 218 HZ3 LYS 26 HZ3 LYS 26 3.612 0.718 2.483 219 H ALA 27 HN ALA 27 6.823 3.301 -2.639 220 HA ALA 27 HA ALA 27 8.021 0.965 -3.596 221 HB1 ALA 27 HB1 ALA 27 8.102 3.610 -5.019 222 HB2 ALA 27 HB2 ALA 27 6.631 2.653 -4.879 223 HB3 ALA 27 HB3 ALA 27 8.034 1.992 -5.722 224 H LEU 28 HN LEU 28 9.395 4.141 -2.895 225 HA LEU 28 HA LEU 28 12.003 3.693 -3.781 226 HB2 LEU 28 HB2 LEU 28 10.609 5.715 -2.430 227 HB3 LEU 28 HB1 LEU 28 11.941 5.287 -1.373 228 HG LEU 28 HG LEU 28 13.528 5.712 -3.204 229 HD11 LEU 28 HD11 LEU 28 12.620 6.946 -5.206 230 HD12 LEU 28 HD12 LEU 28 11.016 6.395 -4.710 231 HD13 LEU 28 HD13 LEU 28 12.261 5.222 -5.138 232 HD21 LEU 28 HD21 LEU 28 13.320 8.129 -3.219 233 HD22 LEU 28 HD22 LEU 28 12.931 7.492 -1.621 234 HD23 LEU 28 HD23 LEU 28 11.637 8.007 -2.703 235 H GLN 29 HN GLN 29 10.390 2.825 -0.810 236 HA GLN 29 HA GLN 29 12.607 2.249 0.792 237 HB2 GLN 29 HB2 GLN 29 9.807 1.140 0.782 238 HB3 GLN 29 HB1 GLN 29 10.987 0.746 2.024 239 HG2 GLN 29 HG2 GLN 29 10.231 3.577 1.389 240 HG3 GLN 29 HG1 GLN 29 9.314 2.588 2.525 241 HE21 GLN 29 HE21 GLN 29 12.322 4.223 1.926 242 HE22 GLN 29 HE22 GLN 29 12.922 4.127 3.546 243 H TRP 30 HN TRP 30 11.003 0.259 -1.657 244 HA TRP 30 HA TRP 30 12.859 -1.913 -0.967 245 HB2 TRP 30 HB2 TRP 30 11.375 -3.392 -2.305 246 HB3 TRP 30 HB1 TRP 30 10.590 -2.675 -0.904 247 HD1 TRP 30 HD1 TRP 30 8.498 -1.170 -1.315 248 HE1 TRP 30 HE1 TRP 30 7.089 -0.607 -3.388 249 HE3 TRP 30 HE3 TRP 30 11.610 -2.988 -4.941 250 HZ2 TRP 30 HZ2 TRP 30 7.265 -0.889 -6.183 251 HZ3 TRP 30 HZ3 TRP 30 10.908 -2.806 -7.288 252 HH2 TRP 30 HH2 TRP 30 8.780 -1.777 -7.896 253 H HIS 31 HN HIS 31 12.885 0.625 -2.903 254 HA HIS 31 HA HIS 31 13.715 -0.550 -5.382 255 HB2 HIS 31 HB2 HIS 31 13.734 2.203 -4.218 256 HB3 HIS 31 HB1 HIS 31 14.783 1.871 -5.591 257 HD1 HIS 31 HD1 HIS 31 13.071 3.781 -6.587 258 HD2 HIS 31 HD2 HIS 31 11.601 -0.081 -6.105 259 HE1 HIS 31 HE1 HIS 31 11.007 3.657 -8.018 260 HE2 HIS 31 HE2 HIS 31 10.278 1.244 -7.893 261 HA PRO 32 HA PRO 32 17.779 -1.899 -4.520 262 HB2 PRO 32 HB2 PRO 32 19.087 -0.961 -6.779 263 HB3 PRO 32 HB1 PRO 32 18.146 -2.455 -6.694 264 HG2 PRO 32 HG2 PRO 32 17.318 0.250 -7.677 265 HG3 PRO 32 HG1 PRO 32 16.983 -1.346 -8.375 266 HD2 PRO 32 HD2 PRO 32 15.113 -0.072 -6.986 267 HD3 PRO 32 HD1 PRO 32 15.337 -1.825 -6.789 268 H ASP 33 HN ASP 33 17.298 1.420 -5.415 269 HA ASP 33 HA ASP 33 19.856 2.389 -4.678 270 HB2 ASP 33 HB2 ASP 33 18.316 3.553 -6.224 271 HB3 ASP 33 HB1 ASP 33 17.219 3.859 -4.883 272 H LYS 34 HN LYS 34 17.000 1.581 -2.864 273 HA LYS 34 HA LYS 34 18.206 2.825 -0.485 274 HB2 LYS 34 HB2 LYS 34 15.430 2.832 -1.463 275 HB3 LYS 34 HB1 LYS 34 15.612 2.501 0.255 276 HG2 LYS 34 HG2 LYS 34 15.278 4.841 -0.047 277 HG3 LYS 34 HG1 LYS 34 16.944 4.580 0.464 278 HD2 LYS 34 HD2 LYS 34 17.588 4.694 -1.964 279 HD3 LYS 34 HD1 LYS 34 15.937 5.219 -2.302 280 HE2 LYS 34 HE2 LYS 34 16.250 7.119 -0.772 281 HE3 LYS 34 HE1 LYS 34 17.911 6.603 -0.486 282 HZ1 LYS 34 HZ1 LYS 34 16.718 7.749 -2.924 283 HZ2 LYS 34 HZ2 LYS 34 18.102 6.780 -3.034 284 HZ3 LYS 34 HZ3 LYS 34 18.141 8.200 -2.115 285 H ASN 35 HN ASN 35 17.314 -0.153 -1.879 286 HA ASN 35 HA ASN 35 17.287 -1.408 0.781 287 HB2 ASN 35 HB2 ASN 35 16.020 -3.125 -0.040 288 HB3 ASN 35 HB1 ASN 35 15.547 -1.908 -1.213 289 HD21 ASN 35 HD21 ASN 35 17.203 -4.868 -0.666 290 HD22 ASN 35 HD22 ASN 35 17.570 -5.215 -2.317 291 HA PRO 36 HA PRO 36 21.413 -2.734 -0.158 292 HB2 PRO 36 HB2 PRO 36 22.023 -3.574 2.310 293 HB3 PRO 36 HB1 PRO 36 21.749 -1.866 1.955 294 HG2 PRO 36 HG2 PRO 36 20.045 -3.781 3.416 295 HG3 PRO 36 HG1 PRO 36 20.099 -2.016 3.527 296 HD2 PRO 36 HD2 PRO 36 18.258 -3.658 2.041 297 HD3 PRO 36 HD1 PRO 36 18.283 -1.888 2.182 298 H ASP 37 HN ASP 37 21.481 -5.027 2.249 299 HA ASP 37 HA ASP 37 21.654 -7.183 0.314 300 HB2 ASP 37 HB2 ASP 37 23.344 -6.923 2.111 301 HB3 ASP 37 HB1 ASP 37 22.089 -7.219 3.303 302 H ASN 38 HN ASN 38 19.237 -5.791 2.039 303 HA ASN 38 HA ASN 38 17.893 -8.240 2.854 304 HB2 ASN 38 HB2 ASN 38 17.059 -5.342 3.147 305 HB3 ASN 38 HB1 ASN 38 16.204 -6.717 3.832 306 HD21 ASN 38 HD21 ASN 38 18.673 -8.119 4.578 307 HD22 ASN 38 HD22 ASN 38 19.286 -7.265 5.951 308 H LYS 39 HN LYS 39 17.009 -9.283 1.202 309 HA LYS 39 HA LYS 39 15.693 -7.755 -0.922 310 HB2 LYS 39 HB2 LYS 39 16.293 -10.714 -0.856 311 HB3 LYS 39 HB1 LYS 39 15.829 -9.756 -2.256 312 HG2 LYS 39 HG2 LYS 39 18.415 -9.554 -0.724 313 HG3 LYS 39 HG1 LYS 39 18.191 -10.251 -2.329 314 HD2 LYS 39 HD2 LYS 39 17.610 -8.105 -3.241 315 HD3 LYS 39 HD1 LYS 39 17.606 -7.375 -1.634 316 HE2 LYS 39 HE2 LYS 39 19.652 -6.788 -2.748 317 HE3 LYS 39 HE1 LYS 39 20.019 -7.910 -1.438 318 HZ1 LYS 39 HZ1 LYS 39 19.977 -9.707 -3.172 319 HZ2 LYS 39 HZ2 LYS 39 21.258 -8.608 -3.298 320 HZ3 LYS 39 HZ3 LYS 39 19.930 -8.481 -4.346 321 H GLU 40 HN GLU 40 15.123 -10.019 1.641 322 HA GLU 40 HA GLU 40 12.530 -10.877 1.017 323 HB2 GLU 40 HB2 GLU 40 13.840 -11.853 2.834 324 HB3 GLU 40 HB1 GLU 40 13.779 -10.338 3.719 325 HG2 GLU 40 HG2 GLU 40 11.284 -10.578 3.778 326 HG3 GLU 40 HG1 GLU 40 11.494 -12.199 3.118 327 H PHE 41 HN PHE 41 13.666 -8.067 2.822 328 HA PHE 41 HA PHE 41 11.119 -7.051 3.460 329 HB2 PHE 41 HB2 PHE 41 13.788 -5.661 3.245 330 HB3 PHE 41 HB1 PHE 41 12.324 -4.898 3.859 331 HD1 PHE 41 HD2 PHE 41 11.233 -5.830 5.906 332 HD2 PHE 41 HD1 PHE 41 15.096 -7.052 4.615 333 HE1 PHE 41 HE2 PHE 41 11.693 -6.730 8.149 334 HE2 PHE 41 HE1 PHE 41 15.563 -7.959 6.853 335 HZ PHE 41 HZ PHE 41 13.860 -7.797 8.624 336 H ALA 42 HN ALA 42 13.222 -6.591 0.678 337 HA ALA 42 HA ALA 42 11.825 -4.432 -0.473 338 HB1 ALA 42 HB1 ALA 42 13.658 -6.509 -1.642 339 HB2 ALA 42 HB2 ALA 42 13.986 -4.803 -1.309 340 HB3 ALA 42 HB3 ALA 42 12.909 -5.253 -2.630 341 H GLU 43 HN GLU 43 11.486 -7.960 -0.940 342 HA GLU 43 HA GLU 43 9.420 -7.660 -2.882 343 HB2 GLU 43 HB2 GLU 43 9.021 -10.063 -2.610 344 HB3 GLU 43 HB1 GLU 43 10.727 -9.707 -2.823 345 HG2 GLU 43 HG2 GLU 43 11.125 -10.009 -0.471 346 HG3 GLU 43 HG1 GLU 43 9.402 -10.255 -0.181 347 H LYS 44 HN LYS 44 9.437 -8.105 0.627 348 HA LYS 44 HA LYS 44 6.655 -8.432 0.949 349 HB2 LYS 44 HB2 LYS 44 8.713 -7.271 2.824 350 HB3 LYS 44 HB1 LYS 44 7.056 -7.626 3.284 351 HG2 LYS 44 HG2 LYS 44 7.450 -9.998 2.716 352 HG3 LYS 44 HG1 LYS 44 9.138 -9.600 2.381 353 HD2 LYS 44 HD2 LYS 44 8.967 -10.478 4.615 354 HD3 LYS 44 HD1 LYS 44 9.351 -8.756 4.701 355 HE2 LYS 44 HE2 LYS 44 6.954 -8.279 5.061 356 HE3 LYS 44 HE1 LYS 44 6.632 -10.011 5.062 357 HZ1 LYS 44 HZ1 LYS 44 8.165 -8.438 7.046 358 HZ2 LYS 44 HZ2 LYS 44 8.279 -10.126 6.953 359 HZ3 LYS 44 HZ3 LYS 44 6.788 -9.395 7.293 360 H LYS 45 HN LYS 45 8.689 -5.515 1.013 361 HA LYS 45 HA LYS 45 6.550 -3.732 1.539 362 HB2 LYS 45 HB2 LYS 45 9.269 -3.234 0.311 363 HB3 LYS 45 HB1 LYS 45 8.134 -1.959 0.739 364 HG2 LYS 45 HG2 LYS 45 9.557 -3.864 2.573 365 HG3 LYS 45 HG1 LYS 45 9.666 -2.103 2.526 366 HD2 LYS 45 HD2 LYS 45 7.316 -1.968 3.223 367 HD3 LYS 45 HD1 LYS 45 7.255 -3.722 3.284 368 HE2 LYS 45 HE2 LYS 45 7.542 -2.912 5.505 369 HE3 LYS 45 HE1 LYS 45 9.038 -3.679 4.989 370 HZ1 LYS 45 HZ1 LYS 45 9.237 -1.495 6.196 371 HZ2 LYS 45 HZ2 LYS 45 8.628 -0.753 4.801 372 HZ3 LYS 45 HZ3 LYS 45 10.090 -1.616 4.738 373 H PHE 46 HN PHE 46 7.983 -5.029 -1.374 374 HA PHE 46 HA PHE 46 6.688 -3.431 -3.271 375 HB2 PHE 46 HB2 PHE 46 8.472 -4.863 -3.982 376 HB3 PHE 46 HB1 PHE 46 7.636 -6.298 -3.396 377 HD1 PHE 46 HD1 PHE 46 7.263 -3.529 -5.857 378 HD2 PHE 46 HD2 PHE 46 6.407 -7.578 -4.874 379 HE1 PHE 46 HE1 PHE 46 6.278 -3.857 -8.085 380 HE2 PHE 46 HE2 PHE 46 5.421 -7.913 -7.102 381 HZ PHE 46 HZ PHE 46 5.354 -6.053 -8.710 382 H LYS 47 HN LYS 47 5.657 -6.562 -1.863 383 HA LYS 47 HA LYS 47 3.256 -6.599 -3.378 384 HB2 LYS 47 HB2 LYS 47 2.566 -8.489 -2.032 385 HB3 LYS 47 HB1 LYS 47 4.243 -8.673 -2.517 386 HG2 LYS 47 HG2 LYS 47 5.008 -8.107 -0.328 387 HG3 LYS 47 HG1 LYS 47 3.379 -7.664 0.179 388 HD2 LYS 47 HD2 LYS 47 3.959 -10.428 -0.817 389 HD3 LYS 47 HD1 LYS 47 4.344 -9.984 0.844 390 HE2 LYS 47 HE2 LYS 47 2.157 -11.035 0.737 391 HE3 LYS 47 HE1 LYS 47 2.005 -9.348 1.212 392 HZ1 LYS 47 HZ1 LYS 47 1.038 -8.778 -0.784 393 HZ2 LYS 47 HZ2 LYS 47 0.415 -10.336 -0.556 394 HZ3 LYS 47 HZ3 LYS 47 1.705 -10.092 -1.624 395 H GLU 48 HN GLU 48 4.004 -5.545 -0.058 396 HA GLU 48 HA GLU 48 1.301 -5.247 0.695 397 HB2 GLU 48 HB2 GLU 48 2.094 -3.968 2.604 398 HB3 GLU 48 HB1 GLU 48 3.079 -5.402 2.371 399 HG2 GLU 48 HG2 GLU 48 4.878 -4.134 1.511 400 HG3 GLU 48 HG1 GLU 48 3.877 -2.689 1.369 401 H VAL 49 HN VAL 49 3.588 -2.998 -0.824 402 HA VAL 49 HA VAL 49 1.784 -0.797 -0.612 403 HB VAL 49 HB VAL 49 4.205 -0.430 -0.911 404 HG11 VAL 49 HG11 VAL 49 3.760 -1.299 -3.762 405 HG12 VAL 49 HG12 VAL 49 4.657 -2.209 -2.546 406 HG13 VAL 49 HG13 VAL 49 5.249 -0.637 -3.086 407 HG21 VAL 49 HG21 VAL 49 4.006 1.469 -2.345 408 HG22 VAL 49 HG22 VAL 49 2.493 1.280 -1.455 409 HG23 VAL 49 HG23 VAL 49 2.593 0.779 -3.141 410 H ALA 50 HN ALA 50 2.417 -3.239 -3.082 411 HA ALA 50 HA ALA 50 0.939 -2.015 -5.141 412 HB1 ALA 50 HB1 ALA 50 1.348 -4.969 -4.724 413 HB2 ALA 50 HB2 ALA 50 2.538 -3.888 -5.444 414 HB3 ALA 50 HB3 ALA 50 0.987 -4.145 -6.242 415 H GLU 51 HN GLU 51 0.007 -4.397 -2.684 416 HA GLU 51 HA GLU 51 -2.676 -4.628 -3.617 417 HB2 GLU 51 HB2 GLU 51 -3.061 -5.850 -1.493 418 HB3 GLU 51 HB1 GLU 51 -1.669 -6.450 -2.384 419 HG2 GLU 51 HG2 GLU 51 -0.230 -5.035 -0.898 420 HG3 GLU 51 HG1 GLU 51 -1.665 -4.713 0.067 421 H ALA 52 HN ALA 52 -1.104 -2.761 -1.078 422 HA ALA 52 HA ALA 52 -3.550 -1.880 0.094 423 HB1 ALA 52 HB1 ALA 52 -1.391 -2.185 1.295 424 HB2 ALA 52 HB2 ALA 52 -2.196 -0.641 1.594 425 HB3 ALA 52 HB3 ALA 52 -0.813 -0.715 0.502 426 H TYR 53 HN TYR 53 -1.151 -0.367 -2.051 427 HA TYR 53 HA TYR 53 -2.502 2.144 -2.060 428 HB2 TYR 53 HB2 TYR 53 -0.308 2.454 -2.637 429 HB3 TYR 53 HB1 TYR 53 -0.198 0.958 -3.551 430 HD1 TYR 53 HD2 TYR 53 -1.323 4.479 -3.650 431 HD2 TYR 53 HD1 TYR 53 -0.621 0.946 -5.914 432 HE1 TYR 53 HE2 TYR 53 -1.539 5.775 -5.729 433 HE2 TYR 53 HE1 TYR 53 -0.837 2.231 -7.998 434 HH TYR 53 HH TYR 53 -1.937 4.347 -8.755 435 H GLU 54 HN GLU 54 -2.644 -0.757 -4.074 436 HA GLU 54 HA GLU 54 -4.271 0.353 -6.095 437 HB2 GLU 54 HB2 GLU 54 -3.178 -1.789 -6.434 438 HB3 GLU 54 HB1 GLU 54 -4.105 -2.505 -5.123 439 HG2 GLU 54 HG2 GLU 54 -6.155 -2.224 -6.375 440 HG3 GLU 54 HG1 GLU 54 -5.279 -1.405 -7.665 441 H VAL 55 HN VAL 55 -5.149 -1.420 -3.120 442 HA VAL 55 HA VAL 55 -7.907 -1.421 -3.647 443 HB VAL 55 HB VAL 55 -6.933 -2.969 -2.033 444 HG11 VAL 55 HG11 VAL 55 -6.318 -2.243 0.226 445 HG12 VAL 55 HG12 VAL 55 -6.518 -0.562 -0.269 446 HG13 VAL 55 HG13 VAL 55 -5.259 -1.554 -1.005 447 HG21 VAL 55 HG21 VAL 55 -8.623 -2.787 -0.265 448 HG22 VAL 55 HG22 VAL 55 -9.307 -2.514 -1.866 449 HG23 VAL 55 HG23 VAL 55 -8.994 -1.147 -0.798 450 H LEU 56 HN LEU 56 -5.895 0.887 -1.848 451 HA LEU 56 HA LEU 56 -8.160 2.406 -1.009 452 HB2 LEU 56 HB2 LEU 56 -6.040 2.312 0.265 453 HB3 LEU 56 HB1 LEU 56 -5.253 3.218 -1.016 454 HG LEU 56 HG LEU 56 -6.623 5.160 -0.545 455 HD11 LEU 56 HD11 LEU 56 -7.960 3.457 1.552 456 HD12 LEU 56 HD12 LEU 56 -8.698 4.039 0.059 457 HD13 LEU 56 HD13 LEU 56 -8.219 5.186 1.309 458 HD21 LEU 56 HD21 LEU 56 -4.585 4.801 0.783 459 HD22 LEU 56 HD22 LEU 56 -5.565 4.017 2.020 460 HD23 LEU 56 HD23 LEU 56 -5.816 5.720 1.648 461 H SER 57 HN SER 57 -6.094 2.504 -3.813 462 HA SER 57 HA SER 57 -7.038 5.136 -4.584 463 HB2 SER 57 HB2 SER 57 -5.330 3.155 -6.103 464 HB3 SER 57 HB1 SER 57 -5.644 4.822 -6.582 465 HG SER 57 HG SER 57 -4.169 3.857 -4.375 466 H ASP 58 HN ASP 58 -8.038 1.886 -4.958 467 HA ASP 58 HA ASP 58 -9.590 2.554 -7.366 468 HB2 ASP 58 HB2 ASP 58 -8.284 0.557 -7.689 469 HB3 ASP 58 HB1 ASP 58 -8.887 -0.137 -6.186 470 H LYS 59 HN LYS 59 -11.651 2.811 -7.282 471 HA LYS 59 HA LYS 59 -12.942 3.028 -4.750 472 HB2 LYS 59 HB2 LYS 59 -14.021 3.319 -7.568 473 HB3 LYS 59 HB1 LYS 59 -14.941 3.670 -6.113 474 HG2 LYS 59 HG2 LYS 59 -14.159 5.741 -6.953 475 HG3 LYS 59 HG1 LYS 59 -13.187 5.367 -5.529 476 HD2 LYS 59 HD2 LYS 59 -11.482 4.385 -7.124 477 HD3 LYS 59 HD1 LYS 59 -12.405 5.133 -8.425 478 HE2 LYS 59 HE2 LYS 59 -12.021 7.319 -7.532 479 HE3 LYS 59 HE1 LYS 59 -11.291 6.653 -6.072 480 HZ1 LYS 59 HZ1 LYS 59 -9.498 5.752 -7.434 481 HZ2 LYS 59 HZ2 LYS 59 -9.592 7.437 -7.589 482 HZ3 LYS 59 HZ3 LYS 59 -10.187 6.438 -8.827 483 H HIS 60 HN HIS 60 -12.807 0.772 -7.339 484 HA HIS 60 HA HIS 60 -15.102 -0.761 -6.587 485 HB2 HIS 60 HB2 HIS 60 -12.726 -1.527 -8.288 486 HB3 HIS 60 HB1 HIS 60 -14.193 -2.486 -8.113 487 HD1 HIS 60 HD1 HIS 60 -16.440 -0.719 -8.588 488 HD2 HIS 60 HD2 HIS 60 -12.840 -0.142 -10.586 489 HE1 HIS 60 HE1 HIS 60 -17.011 0.622 -10.639 490 HE2 HIS 60 HE2 HIS 60 -14.782 1.166 -11.681 491 H LYS 61 HN LYS 61 -11.617 -1.164 -6.022 492 HA LYS 61 HA LYS 61 -11.836 -3.470 -4.405 493 HB2 LYS 61 HB2 LYS 61 -9.764 -1.814 -5.327 494 HB3 LYS 61 HB1 LYS 61 -9.669 -1.742 -3.572 495 HG2 LYS 61 HG2 LYS 61 -8.284 -3.523 -4.195 496 HG3 LYS 61 HG1 LYS 61 -9.763 -4.275 -3.607 497 HD2 LYS 61 HD2 LYS 61 -9.154 -5.424 -5.591 498 HD3 LYS 61 HD1 LYS 61 -10.527 -4.392 -6.001 499 HE2 LYS 61 HE2 LYS 61 -8.939 -2.703 -6.869 500 HE3 LYS 61 HE1 LYS 61 -7.617 -3.824 -6.546 501 HZ1 LYS 61 HZ1 LYS 61 -8.191 -4.012 -8.823 502 HZ2 LYS 61 HZ2 LYS 61 -9.842 -4.168 -8.474 503 HZ3 LYS 61 HZ3 LYS 61 -8.769 -5.415 -8.059 504 H ARG 62 HN ARG 62 -12.042 -0.031 -3.738 505 HA ARG 62 HA ARG 62 -12.273 -0.123 -0.960 506 HB2 ARG 62 HB2 ARG 62 -13.254 1.743 -3.077 507 HB3 ARG 62 HB1 ARG 62 -13.854 1.935 -1.435 508 HG2 ARG 62 HG2 ARG 62 -10.920 1.836 -2.078 509 HG3 ARG 62 HG1 ARG 62 -11.851 3.337 -2.079 510 HD2 ARG 62 HD2 ARG 62 -11.615 1.446 0.260 511 HD3 ARG 62 HD1 ARG 62 -10.684 2.931 0.064 512 HE ARG 62 HE ARG 62 -12.938 4.077 0.031 513 HH11 ARG 62 HH11 ARG 62 -12.422 1.054 1.733 514 HH12 ARG 62 HH12 ARG 62 -13.693 1.338 2.884 515 HH21 ARG 62 HH21 ARG 62 -14.609 4.449 1.563 516 HH22 ARG 62 HH22 ARG 62 -14.921 3.258 2.792 517 H GLU 63 HN GLU 63 -14.733 -0.572 -3.483 518 HA GLU 63 HA GLU 63 -16.967 -0.778 -1.798 519 HB2 GLU 63 HB2 GLU 63 -16.441 -2.162 -4.436 520 HB3 GLU 63 HB1 GLU 63 -18.012 -2.041 -3.657 521 HG2 GLU 63 HG2 GLU 63 -18.019 0.343 -3.919 522 HG3 GLU 63 HG1 GLU 63 -16.371 0.320 -4.541 523 H ILE 64 HN ILE 64 -14.695 -3.245 -2.945 524 HA ILE 64 HA ILE 64 -16.026 -5.433 -1.735 525 HB ILE 64 HB ILE 64 -13.298 -5.042 -2.905 526 HG12 ILE 64 HG12 ILE 64 -14.038 -6.957 -4.312 527 HG13 ILE 64 HG11 ILE 64 -15.558 -6.987 -3.431 528 HG21 ILE 64 HG21 ILE 64 -14.109 -7.556 -1.446 529 HG22 ILE 64 HG22 ILE 64 -12.943 -6.378 -0.848 530 HG23 ILE 64 HG23 ILE 64 -12.604 -7.281 -2.326 531 HD11 ILE 64 HD11 ILE 64 -15.777 -5.887 -5.587 532 HD12 ILE 64 HD12 ILE 64 -14.552 -4.709 -5.116 533 HD13 ILE 64 HD13 ILE 64 -16.094 -4.767 -4.263 534 H TYR 65 HN TYR 65 -13.302 -3.408 -0.681 535 HA TYR 65 HA TYR 65 -12.837 -4.778 1.754 536 HB2 TYR 65 HB2 TYR 65 -11.174 -3.280 0.749 537 HB3 TYR 65 HB1 TYR 65 -12.244 -1.908 1.000 538 HD1 TYR 65 HD1 TYR 65 -10.225 -4.469 2.757 539 HD2 TYR 65 HD2 TYR 65 -12.294 -0.765 3.073 540 HE1 TYR 65 HE1 TYR 65 -9.250 -4.119 4.984 541 HE2 TYR 65 HE2 TYR 65 -11.322 -0.406 5.302 542 HH TYR 65 HH TYR 65 -8.749 -2.228 6.498 543 H ASP 66 HN ASP 66 -14.966 -2.185 0.813 544 HA ASP 66 HA ASP 66 -15.682 -1.242 3.359 545 HB2 ASP 66 HB2 ASP 66 -16.100 -0.032 1.251 546 HB3 ASP 66 HB1 ASP 66 -17.299 -1.236 0.803 547 H ARG 67 HN ARG 67 -17.196 -3.684 1.265 548 HA ARG 67 HA ARG 67 -19.260 -4.130 3.252 549 HB2 ARG 67 HB2 ARG 67 -20.296 -5.551 1.615 550 HB3 ARG 67 HB1 ARG 67 -19.772 -4.063 0.839 551 HG2 ARG 67 HG2 ARG 67 -17.632 -5.479 0.293 552 HG3 ARG 67 HG1 ARG 67 -18.746 -6.831 0.518 553 HD2 ARG 67 HD2 ARG 67 -20.294 -5.677 -1.093 554 HD3 ARG 67 HD1 ARG 67 -18.974 -4.547 -1.416 555 HE ARG 67 HE ARG 67 -17.992 -7.144 -1.749 556 HH11 ARG 67 HH11 ARG 67 -20.294 -4.983 -3.274 557 HH12 ARG 67 HH12 ARG 67 -20.126 -5.706 -4.840 558 HH21 ARG 67 HH21 ARG 67 -17.766 -8.083 -3.801 559 HH22 ARG 67 HH22 ARG 67 -18.698 -7.485 -5.140 560 H TYR 68 HN TYR 68 -16.395 -5.836 2.063 561 HA TYR 68 HA TYR 68 -17.205 -8.191 3.611 562 HB2 TYR 68 HB2 TYR 68 -16.482 -8.227 1.097 563 HB3 TYR 68 HB1 TYR 68 -14.849 -8.178 1.757 564 HD1 TYR 68 HD2 TYR 68 -18.048 -10.051 2.171 565 HD2 TYR 68 HD1 TYR 68 -13.798 -10.197 2.225 566 HE1 TYR 68 HE2 TYR 68 -18.145 -12.481 2.511 567 HE2 TYR 68 HE1 TYR 68 -13.882 -12.633 2.575 568 HH TYR 68 HH TYR 68 -15.518 -14.310 3.503 569 H GLY 69 HN GLY 69 -15.632 -5.528 4.327 570 HA2 GLY 69 HA2 GLY 69 -13.241 -6.557 5.548 571 HA3 GLY 69 HA1 GLY 69 -13.955 -4.971 5.810 572 H ARG 70 HN ARG 70 -16.240 -5.258 6.872 573 HA ARG 70 HA ARG 70 -15.818 -6.176 9.500 574 HB2 ARG 70 HB2 ARG 70 -18.355 -5.380 8.065 575 HB3 ARG 70 HB1 ARG 70 -18.259 -5.708 9.791 576 HG2 ARG 70 HG2 ARG 70 -16.666 -3.596 8.361 577 HG3 ARG 70 HG1 ARG 70 -18.172 -3.304 9.239 578 HD2 ARG 70 HD2 ARG 70 -15.614 -4.403 10.413 579 HD3 ARG 70 HD1 ARG 70 -16.225 -2.762 10.618 580 HE ARG 70 HE ARG 70 -18.242 -3.974 11.647 581 HH11 ARG 70 HH11 ARG 70 -14.910 -5.049 11.886 582 HH12 ARG 70 HH12 ARG 70 -15.140 -5.815 13.432 583 HH21 ARG 70 HH21 ARG 70 -18.556 -5.020 13.652 584 HH22 ARG 70 HH22 ARG 70 -17.224 -5.843 14.418 585 H GLU 71 HN GLU 71 -17.426 -7.661 6.735 586 HA GLU 71 HA GLU 71 -18.691 -9.706 8.241 587 HB2 GLU 71 HB2 GLU 71 -19.396 -8.805 5.964 588 HB3 GLU 71 HB1 GLU 71 -18.090 -9.776 5.290 589 HG2 GLU 71 HG2 GLU 71 -19.083 -11.788 6.136 590 HG3 GLU 71 HG1 GLU 71 -20.322 -10.851 6.965 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -14.029 4.423 13.592 2 H2 MET 1 HT2 MET 1 -14.433 3.803 12.064 3 H3 MET 1 HT3 MET 1 -13.902 5.399 12.216 4 HA MET 1 HA MET 1 -11.728 4.731 12.834 5 HB2 MET 1 HB2 MET 1 -11.094 2.397 13.019 6 HB3 MET 1 HB1 MET 1 -12.421 2.729 14.120 7 HG2 MET 1 HG2 MET 1 -13.985 1.713 12.556 8 HG3 MET 1 HG1 MET 1 -12.668 1.404 11.431 9 HE1 MET 1 HE1 MET 1 -14.625 -0.890 12.337 10 HE2 MET 1 HE2 MET 1 -13.490 -2.196 12.674 11 HE3 MET 1 HE3 MET 1 -13.246 -1.160 11.269 12 H ALA 2 HN ALA 2 -10.089 3.900 11.295 13 HA ALA 2 HA ALA 2 -11.147 3.274 8.640 14 HB1 ALA 2 HB1 ALA 2 -10.959 5.698 8.632 15 HB2 ALA 2 HB2 ALA 2 -9.760 4.978 7.554 16 HB3 ALA 2 HB3 ALA 2 -9.273 5.585 9.137 17 H SER 3 HN SER 3 -8.230 3.896 10.522 18 HA SER 3 HA SER 3 -6.264 2.859 10.776 19 HB2 SER 3 HB2 SER 3 -6.226 0.398 10.707 20 HB3 SER 3 HB1 SER 3 -7.618 1.023 11.581 21 HG SER 3 HG SER 3 -8.407 0.761 9.096 22 H TYR 4 HN TYR 4 -7.383 3.387 7.768 23 HA TYR 4 HA TYR 4 -5.667 1.789 6.178 24 HB2 TYR 4 HB2 TYR 4 -7.009 4.415 5.496 25 HB3 TYR 4 HB1 TYR 4 -6.277 3.306 4.339 26 HD1 TYR 4 HD2 TYR 4 -7.171 0.733 4.861 27 HD2 TYR 4 HD1 TYR 4 -9.315 4.358 5.486 28 HE1 TYR 4 HE2 TYR 4 -9.292 -0.504 4.732 29 HE2 TYR 4 HE1 TYR 4 -11.440 3.124 5.367 30 HH TYR 4 HH TYR 4 -11.645 -0.201 5.600 31 H TYR 5 HN TYR 5 -5.275 4.818 7.809 32 HA TYR 5 HA TYR 5 -2.859 5.612 6.588 33 HB2 TYR 5 HB2 TYR 5 -2.587 6.738 8.985 34 HB3 TYR 5 HB1 TYR 5 -3.728 7.358 7.797 35 HD1 TYR 5 HD1 TYR 5 -3.391 5.461 10.933 36 HD2 TYR 5 HD2 TYR 5 -6.089 7.166 8.125 37 HE1 TYR 5 HE1 TYR 5 -5.237 5.153 12.527 38 HE2 TYR 5 HE2 TYR 5 -7.942 6.867 9.708 39 HH TYR 5 HH TYR 5 -7.492 6.167 12.961 40 H GLU 6 HN GLU 6 -3.639 3.384 9.167 41 HA GLU 6 HA GLU 6 -0.950 2.981 10.024 42 HB2 GLU 6 HB2 GLU 6 -3.442 1.334 10.435 43 HB3 GLU 6 HB1 GLU 6 -1.897 1.006 11.210 44 HG2 GLU 6 HG2 GLU 6 -1.967 3.041 12.417 45 HG3 GLU 6 HG1 GLU 6 -3.344 3.620 11.482 46 H ILE 7 HN ILE 7 -3.167 1.262 7.856 47 HA ILE 7 HA ILE 7 -1.372 -0.891 7.376 48 HB ILE 7 HB ILE 7 -2.907 -1.630 5.645 49 HG12 ILE 7 HG12 ILE 7 -5.129 -0.121 5.609 50 HG13 ILE 7 HG11 ILE 7 -3.940 1.154 5.847 51 HG21 ILE 7 HG21 ILE 7 -4.858 -1.985 7.014 52 HG22 ILE 7 HG22 ILE 7 -4.426 -0.618 8.042 53 HG23 ILE 7 HG23 ILE 7 -3.410 -2.061 8.019 54 HD11 ILE 7 HD11 ILE 7 -2.775 0.441 3.822 55 HD12 ILE 7 HD12 ILE 7 -4.455 0.860 3.492 56 HD13 ILE 7 HD13 ILE 7 -3.969 -0.833 3.586 57 H LEU 8 HN LEU 8 -1.926 2.196 5.803 58 HA LEU 8 HA LEU 8 -0.123 1.415 3.635 59 HB2 LEU 8 HB2 LEU 8 -2.232 2.445 2.981 60 HB3 LEU 8 HB1 LEU 8 -1.871 3.856 3.957 61 HG LEU 8 HG LEU 8 0.112 4.278 2.486 62 HD11 LEU 8 HD11 LEU 8 -1.156 2.131 0.792 63 HD12 LEU 8 HD12 LEU 8 0.391 2.011 1.628 64 HD13 LEU 8 HD13 LEU 8 0.186 3.167 0.312 65 HD21 LEU 8 HD21 LEU 8 -2.580 4.213 1.134 66 HD22 LEU 8 HD22 LEU 8 -1.203 5.205 0.654 67 HD23 LEU 8 HD23 LEU 8 -1.995 5.483 2.206 68 H ASP 9 HN ASP 9 -0.602 4.559 5.205 69 HA ASP 9 HA ASP 9 1.844 4.843 6.472 70 HB2 ASP 9 HB2 ASP 9 2.707 4.490 4.113 71 HB3 ASP 9 HB1 ASP 9 1.955 6.024 3.694 72 H VAL 10 HN VAL 10 -0.521 6.383 4.401 73 HA VAL 10 HA VAL 10 -0.451 8.758 6.136 74 HB VAL 10 HB VAL 10 -1.082 10.128 4.169 75 HG11 VAL 10 HG11 VAL 10 1.135 10.153 3.124 76 HG12 VAL 10 HG12 VAL 10 1.498 8.597 3.873 77 HG13 VAL 10 HG13 VAL 10 1.241 10.022 4.881 78 HG21 VAL 10 HG21 VAL 10 -0.768 9.213 1.910 79 HG22 VAL 10 HG22 VAL 10 -2.075 8.402 2.772 80 HG23 VAL 10 HG23 VAL 10 -0.508 7.611 2.603 81 HA PRO 11 HA PRO 11 -4.797 8.276 6.793 82 HB2 PRO 11 HB2 PRO 11 -5.535 10.921 6.912 83 HB3 PRO 11 HB1 PRO 11 -4.772 10.042 8.240 84 HG2 PRO 11 HG2 PRO 11 -3.553 11.904 6.251 85 HG3 PRO 11 HG1 PRO 11 -3.229 11.744 7.987 86 HD2 PRO 11 HD2 PRO 11 -1.589 10.712 6.113 87 HD3 PRO 11 HD1 PRO 11 -1.839 9.930 7.688 88 H ARG 12 HN ARG 12 -6.823 8.491 5.769 89 HA ARG 12 HA ARG 12 -6.532 8.426 2.923 90 HB2 ARG 12 HB2 ARG 12 -8.928 7.872 2.915 91 HB3 ARG 12 HB1 ARG 12 -7.981 6.815 3.948 92 HG2 ARG 12 HG2 ARG 12 -8.786 7.983 5.907 93 HG3 ARG 12 HG1 ARG 12 -9.640 9.149 4.892 94 HD2 ARG 12 HD2 ARG 12 -10.988 7.293 3.969 95 HD3 ARG 12 HD1 ARG 12 -10.187 6.192 5.086 96 HE ARG 12 HE ARG 12 -11.200 8.128 6.708 97 HH11 ARG 12 HH11 ARG 12 -12.600 6.144 4.180 98 HH12 ARG 12 HH12 ARG 12 -14.147 6.005 4.967 99 HH21 ARG 12 HH21 ARG 12 -13.240 7.987 7.733 100 HH22 ARG 12 HH22 ARG 12 -14.518 7.070 6.980 101 H SER 13 HN SER 13 -7.434 10.834 5.127 102 HA SER 13 HA SER 13 -9.032 12.482 3.528 103 HB2 SER 13 HB2 SER 13 -7.042 13.223 5.687 104 HB3 SER 13 HB1 SER 13 -8.237 14.325 5.001 105 HG SER 13 HG SER 13 -9.844 13.230 5.950 106 H ALA 14 HN ALA 14 -5.696 11.699 3.323 107 HA ALA 14 HA ALA 14 -4.890 13.907 1.690 108 HB1 ALA 14 HB1 ALA 14 -2.916 12.566 1.216 109 HB2 ALA 14 HB2 ALA 14 -3.686 11.145 1.923 110 HB3 ALA 14 HB3 ALA 14 -3.278 12.527 2.942 111 H SER 15 HN SER 15 -4.667 13.929 -0.579 112 HA SER 15 HA SER 15 -6.830 12.705 -1.950 113 HB2 SER 15 HB2 SER 15 -5.867 14.918 -2.569 114 HB3 SER 15 HB1 SER 15 -4.411 14.097 -3.127 115 HG SER 15 HG SER 15 -5.394 13.712 -4.936 116 H ALA 16 HN ALA 16 -6.604 11.341 -3.902 117 HA ALA 16 HA ALA 16 -5.336 8.928 -3.418 118 HB1 ALA 16 HB1 ALA 16 -7.132 9.193 -5.048 119 HB2 ALA 16 HB2 ALA 16 -5.737 8.393 -5.774 120 HB3 ALA 16 HB3 ALA 16 -6.050 10.097 -6.106 121 H ASP 17 HN ASP 17 -4.161 11.767 -5.065 122 HA ASP 17 HA ASP 17 -1.803 10.779 -6.202 123 HB2 ASP 17 HB2 ASP 17 -2.050 13.517 -5.000 124 HB3 ASP 17 HB1 ASP 17 -1.112 13.031 -6.402 125 H ASP 18 HN ASP 18 -2.505 12.039 -2.986 126 HA ASP 18 HA ASP 18 0.179 12.061 -2.067 127 HB2 ASP 18 HB2 ASP 18 -2.425 12.000 -0.531 128 HB3 ASP 18 HB1 ASP 18 -0.847 12.301 0.187 129 H ILE 19 HN ILE 19 -2.492 9.763 -1.760 130 HA ILE 19 HA ILE 19 -1.151 7.810 -0.252 131 HB ILE 19 HB ILE 19 -3.467 7.745 -2.140 132 HG12 ILE 19 HG12 ILE 19 -4.482 6.701 -0.009 133 HG13 ILE 19 HG11 ILE 19 -3.021 7.272 0.785 134 HG21 ILE 19 HG21 ILE 19 -2.244 5.679 -2.631 135 HG22 ILE 19 HG22 ILE 19 -3.783 5.367 -1.834 136 HG23 ILE 19 HG23 ILE 19 -2.280 5.260 -0.919 137 HD11 ILE 19 HD11 ILE 19 -5.279 8.805 -0.364 138 HD12 ILE 19 HD12 ILE 19 -3.673 9.523 -0.373 139 HD13 ILE 19 HD13 ILE 19 -4.411 9.033 1.155 140 H LYS 20 HN LYS 20 -1.377 8.336 -3.735 141 HA LYS 20 HA LYS 20 0.201 6.177 -4.585 142 HB2 LYS 20 HB2 LYS 20 -1.256 7.760 -5.968 143 HB3 LYS 20 HB1 LYS 20 0.099 8.880 -5.919 144 HG2 LYS 20 HG2 LYS 20 1.507 7.173 -7.003 145 HG3 LYS 20 HG1 LYS 20 0.095 6.118 -7.115 146 HD2 LYS 20 HD2 LYS 20 -1.056 7.918 -8.401 147 HD3 LYS 20 HD1 LYS 20 0.464 8.814 -8.411 148 HE2 LYS 20 HE2 LYS 20 0.304 7.650 -10.481 149 HE3 LYS 20 HE1 LYS 20 1.528 6.839 -9.507 150 HZ1 LYS 20 HZ1 LYS 20 0.098 5.237 -10.575 151 HZ2 LYS 20 HZ2 LYS 20 -1.280 5.941 -9.882 152 HZ3 LYS 20 HZ3 LYS 20 -0.140 5.169 -8.897 153 H LYS 21 HN LYS 21 1.053 9.485 -3.645 154 HA LYS 21 HA LYS 21 3.819 9.356 -4.152 155 HB2 LYS 21 HB2 LYS 21 2.174 11.015 -2.253 156 HB3 LYS 21 HB1 LYS 21 3.918 11.187 -2.364 157 HG2 LYS 21 HG2 LYS 21 2.209 11.400 -4.807 158 HG3 LYS 21 HG1 LYS 21 2.402 12.771 -3.717 159 HD2 LYS 21 HD2 LYS 21 4.046 13.066 -5.371 160 HD3 LYS 21 HD1 LYS 21 4.903 12.425 -3.973 161 HE2 LYS 21 HE2 LYS 21 4.972 10.234 -4.949 162 HE3 LYS 21 HE1 LYS 21 3.972 10.764 -6.303 163 HZ1 LYS 21 HZ1 LYS 21 5.736 12.286 -6.958 164 HZ2 LYS 21 HZ2 LYS 21 6.307 10.694 -6.911 165 HZ3 LYS 21 HZ3 LYS 21 6.697 11.766 -5.662 166 H ALA 22 HN ALA 22 1.938 8.559 -1.259 167 HA ALA 22 HA ALA 22 4.083 7.968 0.445 168 HB1 ALA 22 HB1 ALA 22 2.464 6.601 1.704 169 HB2 ALA 22 HB2 ALA 22 1.320 6.759 0.371 170 HB3 ALA 22 HB3 ALA 22 1.820 8.186 1.280 171 H TYR 23 HN TYR 23 2.238 5.895 -1.751 172 HA TYR 23 HA TYR 23 3.677 3.526 -1.307 173 HB2 TYR 23 HB2 TYR 23 1.713 3.121 -2.417 174 HB3 TYR 23 HB1 TYR 23 1.857 4.559 -3.423 175 HD1 TYR 23 HD2 TYR 23 3.196 1.113 -2.975 176 HD2 TYR 23 HD1 TYR 23 2.649 4.405 -5.612 177 HE1 TYR 23 HE2 TYR 23 3.955 -0.276 -4.857 178 HE2 TYR 23 HE1 TYR 23 3.404 3.026 -7.503 179 HH TYR 23 HH TYR 23 4.723 1.030 -7.928 180 H ARG 24 HN ARG 24 4.082 6.033 -3.820 181 HA ARG 24 HA ARG 24 6.257 4.929 -5.107 182 HB2 ARG 24 HB2 ARG 24 4.772 7.316 -5.166 183 HB3 ARG 24 HB1 ARG 24 6.462 7.785 -5.056 184 HG2 ARG 24 HG2 ARG 24 6.930 6.228 -6.944 185 HG3 ARG 24 HG1 ARG 24 5.186 5.993 -7.074 186 HD2 ARG 24 HD2 ARG 24 4.814 8.151 -7.813 187 HD3 ARG 24 HD1 ARG 24 6.333 8.742 -7.132 188 HE ARG 24 HE ARG 24 7.465 7.450 -8.913 189 HH11 ARG 24 HH11 ARG 24 4.159 8.534 -9.375 190 HH12 ARG 24 HH12 ARG 24 4.230 8.391 -11.111 191 HH21 ARG 24 HH21 ARG 24 7.540 7.218 -11.158 192 HH22 ARG 24 HH22 ARG 24 6.147 7.620 -12.124 193 H ARG 25 HN ARG 25 6.171 7.007 -2.255 194 HA ARG 25 HA ARG 25 8.930 7.429 -2.021 195 HB2 ARG 25 HB2 ARG 25 7.617 8.781 -0.644 196 HB3 ARG 25 HB1 ARG 25 6.653 7.428 -0.069 197 HG2 ARG 25 HG2 ARG 25 8.609 6.614 1.184 198 HG3 ARG 25 HG1 ARG 25 9.499 8.053 0.676 199 HD2 ARG 25 HD2 ARG 25 8.049 9.483 1.880 200 HD3 ARG 25 HD1 ARG 25 6.875 8.192 2.139 201 HE ARG 25 HE ARG 25 9.554 8.243 3.389 202 HH11 ARG 25 HH11 ARG 25 6.115 7.613 3.481 203 HH12 ARG 25 HH12 ARG 25 6.139 6.942 5.080 204 HH21 ARG 25 HH21 ARG 25 9.593 7.427 5.529 205 HH22 ARG 25 HH22 ARG 25 8.130 6.840 6.252 206 H LYS 26 HN LYS 26 6.891 4.835 -0.708 207 HA LYS 26 HA LYS 26 9.005 3.442 0.579 208 HB2 LYS 26 HB2 LYS 26 6.458 2.252 -0.526 209 HB3 LYS 26 HB1 LYS 26 7.477 1.582 0.743 210 HG2 LYS 26 HG2 LYS 26 6.937 3.481 2.175 211 HG3 LYS 26 HG1 LYS 26 5.920 4.134 0.886 212 HD2 LYS 26 HD2 LYS 26 4.448 2.239 1.018 213 HD3 LYS 26 HD1 LYS 26 5.510 1.447 2.186 214 HE2 LYS 26 HE2 LYS 26 4.147 4.093 2.654 215 HE3 LYS 26 HE1 LYS 26 3.503 2.541 3.192 216 HZ1 LYS 26 HZ1 LYS 26 5.281 2.237 4.661 217 HZ2 LYS 26 HZ2 LYS 26 4.837 3.869 4.863 218 HZ3 LYS 26 HZ3 LYS 26 6.206 3.466 3.952 219 H ALA 27 HN ALA 27 7.562 3.312 -2.589 220 HA ALA 27 HA ALA 27 8.874 1.113 -3.674 221 HB1 ALA 27 HB1 ALA 27 8.274 3.680 -5.137 222 HB2 ALA 27 HB2 ALA 27 7.088 2.425 -4.792 223 HB3 ALA 27 HB3 ALA 27 8.461 2.072 -5.839 224 H LEU 28 HN LEU 28 9.953 4.505 -3.583 225 HA LEU 28 HA LEU 28 12.533 3.932 -4.679 226 HB2 LEU 28 HB2 LEU 28 11.245 6.292 -3.414 227 HB3 LEU 28 HB1 LEU 28 12.997 6.264 -3.494 228 HG LEU 28 HG LEU 28 12.221 7.488 -5.373 229 HD11 LEU 28 HD11 LEU 28 12.962 4.703 -6.253 230 HD12 LEU 28 HD12 LEU 28 14.074 6.014 -5.859 231 HD13 LEU 28 HD13 LEU 28 13.018 6.148 -7.265 232 HD21 LEU 28 HD21 LEU 28 9.955 6.920 -5.543 233 HD22 LEU 28 HD22 LEU 28 10.313 5.210 -5.753 234 HD23 LEU 28 HD23 LEU 28 10.682 6.350 -7.049 235 H GLN 29 HN GLN 29 11.215 4.130 -1.461 236 HA GLN 29 HA GLN 29 13.581 4.230 0.041 237 HB2 GLN 29 HB2 GLN 29 11.197 4.639 0.790 238 HB3 GLN 29 HB1 GLN 29 10.989 2.899 0.825 239 HG2 GLN 29 HG2 GLN 29 12.727 2.724 2.529 240 HG3 GLN 29 HG1 GLN 29 12.931 4.477 2.491 241 HE21 GLN 29 HE21 GLN 29 12.326 4.772 4.621 242 HE22 GLN 29 HE22 GLN 29 10.698 4.554 5.169 243 H TRP 30 HN TRP 30 11.713 1.516 -1.225 244 HA TRP 30 HA TRP 30 13.836 -0.324 -0.355 245 HB2 TRP 30 HB2 TRP 30 10.904 -0.706 -0.823 246 HB3 TRP 30 HB1 TRP 30 11.998 -2.077 -0.990 247 HD1 TRP 30 HD1 TRP 30 13.518 -2.641 1.267 248 HE1 TRP 30 HE1 TRP 30 12.833 -2.520 3.742 249 HE3 TRP 30 HE3 TRP 30 9.496 0.475 0.824 250 HZ2 TRP 30 HZ2 TRP 30 10.838 -1.265 5.300 251 HZ3 TRP 30 HZ3 TRP 30 8.248 1.083 2.855 252 HH2 TRP 30 HH2 TRP 30 8.906 0.230 5.046 253 H HIS 31 HN HIS 31 13.699 1.448 -2.794 254 HA HIS 31 HA HIS 31 13.339 -0.232 -5.074 255 HB2 HIS 31 HB2 HIS 31 13.693 2.483 -4.654 256 HB3 HIS 31 HB1 HIS 31 15.220 2.005 -5.382 257 HD1 HIS 31 HD1 HIS 31 15.251 1.776 -7.875 258 HD2 HIS 31 HD2 HIS 31 11.386 1.884 -6.341 259 HE1 HIS 31 HE1 HIS 31 13.734 1.985 -9.867 260 HE2 HIS 31 HE2 HIS 31 11.428 2.276 -8.901 261 HA PRO 32 HA PRO 32 16.753 -2.850 -4.856 262 HB2 PRO 32 HB2 PRO 32 17.836 -2.719 -7.424 263 HB3 PRO 32 HB1 PRO 32 16.512 -3.767 -6.910 264 HG2 PRO 32 HG2 PRO 32 16.409 -1.133 -8.311 265 HG3 PRO 32 HG1 PRO 32 15.394 -2.566 -8.536 266 HD2 PRO 32 HD2 PRO 32 14.491 -0.441 -7.199 267 HD3 PRO 32 HD1 PRO 32 14.088 -2.090 -6.670 268 H ASP 33 HN ASP 33 17.517 0.224 -6.423 269 HA ASP 33 HA ASP 33 20.332 0.057 -6.002 270 HB2 ASP 33 HB2 ASP 33 19.244 1.546 -7.681 271 HB3 ASP 33 HB1 ASP 33 18.649 2.542 -6.357 272 H LYS 34 HN LYS 34 17.683 0.856 -3.969 273 HA LYS 34 HA LYS 34 19.452 2.175 -2.036 274 HB2 LYS 34 HB2 LYS 34 16.485 2.494 -2.449 275 HB3 LYS 34 HB1 LYS 34 17.411 3.273 -1.181 276 HG2 LYS 34 HG2 LYS 34 17.768 3.690 -4.140 277 HG3 LYS 34 HG1 LYS 34 16.977 4.799 -3.019 278 HD2 LYS 34 HD2 LYS 34 19.133 4.936 -1.759 279 HD3 LYS 34 HD1 LYS 34 19.880 3.983 -3.042 280 HE2 LYS 34 HE2 LYS 34 18.528 6.656 -3.410 281 HE3 LYS 34 HE1 LYS 34 20.269 6.398 -3.315 282 HZ1 LYS 34 HZ1 LYS 34 20.054 4.941 -5.298 283 HZ2 LYS 34 HZ2 LYS 34 19.662 6.561 -5.592 284 HZ3 LYS 34 HZ3 LYS 34 18.428 5.412 -5.430 285 H ASN 35 HN ASN 35 18.261 -0.799 -2.495 286 HA ASN 35 HA ASN 35 17.427 -1.095 0.304 287 HB2 ASN 35 HB2 ASN 35 16.237 -3.033 -0.200 288 HB3 ASN 35 HB1 ASN 35 15.942 -2.016 -1.593 289 HD21 ASN 35 HD21 ASN 35 18.569 -2.594 -2.809 290 HD22 ASN 35 HD22 ASN 35 18.446 -4.210 -3.402 291 HA PRO 36 HA PRO 36 21.268 -2.836 1.307 292 HB2 PRO 36 HB2 PRO 36 20.733 -3.958 3.665 293 HB3 PRO 36 HB1 PRO 36 20.566 -2.211 3.428 294 HG2 PRO 36 HG2 PRO 36 18.458 -4.334 3.426 295 HG3 PRO 36 HG1 PRO 36 18.433 -2.741 4.208 296 HD2 PRO 36 HD2 PRO 36 17.243 -3.286 1.788 297 HD3 PRO 36 HD1 PRO 36 17.807 -1.674 2.275 298 H ASP 37 HN ASP 37 20.477 -5.385 3.206 299 HA ASP 37 HA ASP 37 21.272 -7.236 1.080 300 HB2 ASP 37 HB2 ASP 37 21.525 -7.319 4.064 301 HB3 ASP 37 HB1 ASP 37 21.666 -8.793 3.113 302 H ASN 38 HN ASN 38 18.528 -6.294 2.722 303 HA ASN 38 HA ASN 38 17.269 -8.917 2.410 304 HB2 ASN 38 HB2 ASN 38 16.309 -6.379 3.744 305 HB3 ASN 38 HB1 ASN 38 15.290 -7.795 3.516 306 HD21 ASN 38 HD21 ASN 38 16.101 -6.555 5.986 307 HD22 ASN 38 HD22 ASN 38 16.974 -7.758 6.881 308 H LYS 39 HN LYS 39 16.886 -9.196 0.302 309 HA LYS 39 HA LYS 39 15.519 -7.099 -1.203 310 HB2 LYS 39 HB2 LYS 39 16.771 -9.726 -1.941 311 HB3 LYS 39 HB1 LYS 39 15.607 -8.974 -3.020 312 HG2 LYS 39 HG2 LYS 39 17.752 -8.361 -3.786 313 HG3 LYS 39 HG1 LYS 39 17.062 -6.935 -3.015 314 HD2 LYS 39 HD2 LYS 39 18.388 -7.304 -1.037 315 HD3 LYS 39 HD1 LYS 39 18.982 -8.837 -1.683 316 HE2 LYS 39 HE2 LYS 39 19.991 -7.583 -3.574 317 HE3 LYS 39 HE1 LYS 39 19.506 -6.082 -2.788 318 HZ1 LYS 39 HZ1 LYS 39 21.866 -6.890 -2.406 319 HZ2 LYS 39 HZ2 LYS 39 21.190 -8.081 -1.404 320 HZ3 LYS 39 HZ3 LYS 39 20.979 -6.440 -1.033 321 H GLU 40 HN GLU 40 15.014 -10.170 0.297 322 HA GLU 40 HA GLU 40 12.503 -10.854 -0.745 323 HB2 GLU 40 HB2 GLU 40 13.921 -12.346 0.636 324 HB3 GLU 40 HB1 GLU 40 13.589 -11.345 2.038 325 HG2 GLU 40 HG2 GLU 40 12.215 -13.284 2.147 326 HG3 GLU 40 HG1 GLU 40 11.188 -11.893 1.804 327 H PHE 41 HN PHE 41 13.437 -8.895 2.020 328 HA PHE 41 HA PHE 41 10.773 -8.335 2.836 329 HB2 PHE 41 HB2 PHE 41 13.417 -7.101 3.575 330 HB3 PHE 41 HB1 PHE 41 11.881 -6.573 4.258 331 HD1 PHE 41 HD1 PHE 41 14.347 -9.276 4.139 332 HD2 PHE 41 HD2 PHE 41 10.659 -7.952 5.798 333 HE1 PHE 41 HE1 PHE 41 14.460 -11.070 5.818 334 HE2 PHE 41 HE2 PHE 41 10.771 -9.741 7.479 335 HZ PHE 41 HZ PHE 41 12.668 -11.304 7.488 336 H ALA 42 HN ALA 42 13.124 -6.639 0.811 337 HA ALA 42 HA ALA 42 11.768 -4.189 0.655 338 HB1 ALA 42 HB1 ALA 42 13.652 -5.546 -1.262 339 HB2 ALA 42 HB2 ALA 42 14.013 -4.256 -0.109 340 HB3 ALA 42 HB3 ALA 42 13.015 -3.923 -1.522 341 H GLU 43 HN GLU 43 11.596 -7.069 -1.439 342 HA GLU 43 HA GLU 43 9.576 -5.930 -3.091 343 HB2 GLU 43 HB2 GLU 43 9.290 -8.224 -3.994 344 HB3 GLU 43 HB1 GLU 43 10.948 -7.648 -4.037 345 HG2 GLU 43 HG2 GLU 43 11.448 -8.980 -2.041 346 HG3 GLU 43 HG1 GLU 43 9.788 -9.580 -2.045 347 H LYS 44 HN LYS 44 9.526 -7.998 -0.238 348 HA LYS 44 HA LYS 44 6.801 -8.672 -0.283 349 HB2 LYS 44 HB2 LYS 44 8.761 -9.483 1.258 350 HB3 LYS 44 HB1 LYS 44 8.238 -8.167 2.298 351 HG2 LYS 44 HG2 LYS 44 7.197 -10.181 3.047 352 HG3 LYS 44 HG1 LYS 44 5.957 -9.163 2.307 353 HD2 LYS 44 HD2 LYS 44 6.043 -10.464 0.274 354 HD3 LYS 44 HD1 LYS 44 7.389 -11.416 0.898 355 HE2 LYS 44 HE2 LYS 44 5.379 -12.708 1.108 356 HE3 LYS 44 HE1 LYS 44 5.902 -12.221 2.718 357 HZ1 LYS 44 HZ1 LYS 44 3.491 -11.986 2.340 358 HZ2 LYS 44 HZ2 LYS 44 3.807 -10.816 1.152 359 HZ3 LYS 44 HZ3 LYS 44 4.241 -10.526 2.765 360 H LYS 45 HN LYS 45 8.494 -5.937 1.223 361 HA LYS 45 HA LYS 45 6.192 -4.720 2.350 362 HB2 LYS 45 HB2 LYS 45 8.882 -3.577 1.573 363 HB3 LYS 45 HB1 LYS 45 7.641 -2.656 2.412 364 HG2 LYS 45 HG2 LYS 45 9.063 -5.109 3.421 365 HG3 LYS 45 HG1 LYS 45 9.240 -3.454 4.007 366 HD2 LYS 45 HD2 LYS 45 6.792 -3.529 4.579 367 HD3 LYS 45 HD1 LYS 45 6.843 -5.247 4.209 368 HE2 LYS 45 HE2 LYS 45 7.082 -4.856 6.602 369 HE3 LYS 45 HE1 LYS 45 8.525 -5.591 5.918 370 HZ1 LYS 45 HZ1 LYS 45 8.241 -2.676 6.409 371 HZ2 LYS 45 HZ2 LYS 45 9.654 -3.516 5.989 372 HZ3 LYS 45 HZ3 LYS 45 8.952 -3.753 7.511 373 H PHE 46 HN PHE 46 7.865 -4.437 -0.717 374 HA PHE 46 HA PHE 46 6.450 -2.258 -1.781 375 HB2 PHE 46 HB2 PHE 46 8.546 -3.152 -2.745 376 HB3 PHE 46 HB1 PHE 46 7.678 -4.595 -3.260 377 HD1 PHE 46 HD2 PHE 46 7.901 -0.933 -3.730 378 HD2 PHE 46 HD1 PHE 46 6.497 -4.637 -5.288 379 HE1 PHE 46 HE2 PHE 46 7.345 0.175 -5.854 380 HE2 PHE 46 HE1 PHE 46 5.944 -3.533 -7.416 381 HZ PHE 46 HZ PHE 46 6.367 -1.126 -7.699 382 H LYS 47 HN LYS 47 5.781 -5.728 -1.824 383 HA LYS 47 HA LYS 47 3.536 -5.589 -3.541 384 HB2 LYS 47 HB2 LYS 47 4.318 -7.632 -1.461 385 HB3 LYS 47 HB1 LYS 47 2.967 -7.833 -2.566 386 HG2 LYS 47 HG2 LYS 47 5.840 -7.475 -3.392 387 HG3 LYS 47 HG1 LYS 47 4.984 -9.016 -3.306 388 HD2 LYS 47 HD2 LYS 47 3.431 -8.297 -5.011 389 HD3 LYS 47 HD1 LYS 47 4.154 -6.686 -5.031 390 HE2 LYS 47 HE2 LYS 47 6.239 -7.596 -5.851 391 HE3 LYS 47 HE1 LYS 47 5.598 -9.235 -5.739 392 HZ1 LYS 47 HZ1 LYS 47 4.409 -7.131 -7.465 393 HZ2 LYS 47 HZ2 LYS 47 4.067 -8.795 -7.476 394 HZ3 LYS 47 HZ3 LYS 47 5.578 -8.235 -8.008 395 H GLU 48 HN GLU 48 3.887 -5.440 -0.023 396 HA GLU 48 HA GLU 48 1.136 -5.554 0.579 397 HB2 GLU 48 HB2 GLU 48 3.407 -4.319 2.147 398 HB3 GLU 48 HB1 GLU 48 1.786 -4.571 2.777 399 HG2 GLU 48 HG2 GLU 48 2.056 -6.992 2.433 400 HG3 GLU 48 HG1 GLU 48 3.707 -6.706 1.877 401 H VAL 49 HN VAL 49 3.318 -2.785 0.067 402 HA VAL 49 HA VAL 49 1.257 -0.875 0.568 403 HB VAL 49 HB VAL 49 3.542 -0.179 0.892 404 HG11 VAL 49 HG11 VAL 49 3.985 -0.427 -2.074 405 HG12 VAL 49 HG12 VAL 49 4.504 -1.638 -0.904 406 HG13 VAL 49 HG13 VAL 49 5.170 -0.005 -0.837 407 HG21 VAL 49 HG21 VAL 49 3.505 1.933 -0.214 408 HG22 VAL 49 HG22 VAL 49 1.838 1.484 0.146 409 HG23 VAL 49 HG23 VAL 49 2.462 1.306 -1.489 410 H ALA 50 HN ALA 50 2.542 -2.407 -2.344 411 HA ALA 50 HA ALA 50 1.285 -0.765 -4.231 412 HB1 ALA 50 HB1 ALA 50 1.830 -3.708 -4.551 413 HB2 ALA 50 HB2 ALA 50 3.056 -2.453 -4.703 414 HB3 ALA 50 HB3 ALA 50 1.699 -2.495 -5.824 415 H GLU 51 HN GLU 51 0.134 -3.750 -2.662 416 HA GLU 51 HA GLU 51 -2.322 -3.769 -4.112 417 HB2 GLU 51 HB2 GLU 51 -3.019 -5.541 -2.605 418 HB3 GLU 51 HB1 GLU 51 -1.369 -5.822 -3.143 419 HG2 GLU 51 HG2 GLU 51 -0.494 -5.083 -1.046 420 HG3 GLU 51 HG1 GLU 51 -2.091 -4.568 -0.509 421 H ALA 52 HN ALA 52 -1.305 -2.552 -0.983 422 HA ALA 52 HA ALA 52 -3.928 -2.051 -0.006 423 HB1 ALA 52 HB1 ALA 52 -1.889 -2.482 1.376 424 HB2 ALA 52 HB2 ALA 52 -2.862 -1.099 1.888 425 HB3 ALA 52 HB3 ALA 52 -1.364 -0.840 0.992 426 H TYR 53 HN TYR 53 -1.458 -0.055 -1.554 427 HA TYR 53 HA TYR 53 -2.922 2.370 -1.271 428 HB2 TYR 53 HB2 TYR 53 -0.946 3.208 -1.899 429 HB3 TYR 53 HB1 TYR 53 -0.361 1.587 -2.244 430 HD1 TYR 53 HD1 TYR 53 -1.899 4.603 -3.701 431 HD2 TYR 53 HD2 TYR 53 -0.133 0.818 -4.506 432 HE1 TYR 53 HE1 TYR 53 -1.713 5.199 -6.076 433 HE2 TYR 53 HE2 TYR 53 0.058 1.406 -6.885 434 HH TYR 53 HH TYR 53 -0.999 2.927 -8.504 435 H GLU 54 HN GLU 54 -2.625 -0.081 -3.771 436 HA GLU 54 HA GLU 54 -4.120 1.197 -5.764 437 HB2 GLU 54 HB2 GLU 54 -2.691 -0.723 -6.200 438 HB3 GLU 54 HB1 GLU 54 -3.714 -1.746 -5.206 439 HG2 GLU 54 HG2 GLU 54 -5.024 -0.379 -7.467 440 HG3 GLU 54 HG1 GLU 54 -3.861 -1.642 -7.867 441 H VAL 55 HN VAL 55 -5.149 -1.141 -3.274 442 HA VAL 55 HA VAL 55 -7.846 -1.193 -4.113 443 HB VAL 55 HB VAL 55 -6.823 -2.982 -2.750 444 HG11 VAL 55 HG11 VAL 55 -7.021 -1.015 -0.476 445 HG12 VAL 55 HG12 VAL 55 -5.540 -1.663 -1.179 446 HG13 VAL 55 HG13 VAL 55 -6.648 -2.731 -0.322 447 HG21 VAL 55 HG21 VAL 55 -8.759 -3.420 -1.338 448 HG22 VAL 55 HG22 VAL 55 -9.239 -2.808 -2.923 449 HG23 VAL 55 HG23 VAL 55 -9.275 -1.742 -1.517 450 H LEU 56 HN LEU 56 -6.141 0.794 -1.740 451 HA LEU 56 HA LEU 56 -8.508 2.022 -0.730 452 HB2 LEU 56 HB2 LEU 56 -6.496 1.899 0.624 453 HB3 LEU 56 HB1 LEU 56 -5.611 2.856 -0.543 454 HG LEU 56 HG LEU 56 -7.156 4.765 -0.036 455 HD11 LEU 56 HD11 LEU 56 -8.505 4.704 1.952 456 HD12 LEU 56 HD12 LEU 56 -8.017 3.044 2.262 457 HD13 LEU 56 HD13 LEU 56 -9.011 3.418 0.858 458 HD21 LEU 56 HD21 LEU 56 -4.936 4.623 0.950 459 HD22 LEU 56 HD22 LEU 56 -5.578 3.647 2.271 460 HD23 LEU 56 HD23 LEU 56 -6.088 5.326 2.087 461 H SER 57 HN SER 57 -6.456 2.617 -3.453 462 HA SER 57 HA SER 57 -7.350 5.337 -3.824 463 HB2 SER 57 HB2 SER 57 -5.725 3.499 -5.590 464 HB3 SER 57 HB1 SER 57 -6.082 5.183 -5.969 465 HG SER 57 HG SER 57 -4.506 4.131 -3.869 466 H ASP 58 HN ASP 58 -8.542 2.231 -4.640 467 HA ASP 58 HA ASP 58 -10.159 3.376 -6.829 468 HB2 ASP 58 HB2 ASP 58 -8.695 1.479 -7.479 469 HB3 ASP 58 HB1 ASP 58 -9.527 0.461 -6.307 470 H LYS 59 HN LYS 59 -12.242 3.651 -6.471 471 HA LYS 59 HA LYS 59 -13.319 3.135 -3.914 472 HB2 LYS 59 HB2 LYS 59 -14.421 4.942 -4.634 473 HB3 LYS 59 HB1 LYS 59 -14.053 4.591 -6.311 474 HG2 LYS 59 HG2 LYS 59 -16.252 3.120 -4.919 475 HG3 LYS 59 HG1 LYS 59 -16.514 4.749 -5.545 476 HD2 LYS 59 HD2 LYS 59 -15.596 3.889 -7.751 477 HD3 LYS 59 HD1 LYS 59 -15.748 2.271 -7.065 478 HE2 LYS 59 HE2 LYS 59 -17.989 4.261 -7.405 479 HE3 LYS 59 HE1 LYS 59 -17.702 2.846 -8.415 480 HZ1 LYS 59 HZ1 LYS 59 -18.076 1.432 -6.494 481 HZ2 LYS 59 HZ2 LYS 59 -19.417 2.439 -6.755 482 HZ3 LYS 59 HZ3 LYS 59 -18.328 2.791 -5.510 483 H HIS 60 HN HIS 60 -13.576 1.458 -6.990 484 HA HIS 60 HA HIS 60 -15.752 -0.201 -6.158 485 HB2 HIS 60 HB2 HIS 60 -15.176 0.267 -8.555 486 HB3 HIS 60 HB1 HIS 60 -13.768 -0.776 -8.362 487 HD1 HIS 60 HD1 HIS 60 -17.358 -1.320 -7.217 488 HD2 HIS 60 HD2 HIS 60 -14.468 -3.070 -9.653 489 HE1 HIS 60 HE1 HIS 60 -18.359 -3.488 -8.023 490 HE2 HIS 60 HE2 HIS 60 -16.683 -4.410 -9.662 491 H LYS 61 HN LYS 61 -12.240 -0.540 -6.246 492 HA LYS 61 HA LYS 61 -12.137 -3.200 -5.311 493 HB2 LYS 61 HB2 LYS 61 -10.280 -1.227 -6.020 494 HB3 LYS 61 HB1 LYS 61 -9.930 -1.597 -4.337 495 HG2 LYS 61 HG2 LYS 61 -8.595 -2.986 -5.797 496 HG3 LYS 61 HG1 LYS 61 -9.752 -3.975 -4.906 497 HD2 LYS 61 HD2 LYS 61 -9.651 -4.677 -7.235 498 HD3 LYS 61 HD1 LYS 61 -11.235 -3.993 -6.858 499 HE2 LYS 61 HE2 LYS 61 -10.544 -3.134 -8.983 500 HE3 LYS 61 HE1 LYS 61 -10.454 -1.831 -7.799 501 HZ1 LYS 61 HZ1 LYS 61 -8.190 -3.409 -8.888 502 HZ2 LYS 61 HZ2 LYS 61 -8.043 -2.316 -7.602 503 HZ3 LYS 61 HZ3 LYS 61 -8.503 -1.764 -9.136 504 H ARG 62 HN ARG 62 -12.351 -0.099 -3.692 505 HA ARG 62 HA ARG 62 -12.112 -0.955 -1.041 506 HB2 ARG 62 HB2 ARG 62 -13.495 1.347 -2.373 507 HB3 ARG 62 HB1 ARG 62 -13.734 1.063 -0.653 508 HG2 ARG 62 HG2 ARG 62 -10.944 1.093 -1.644 509 HG3 ARG 62 HG1 ARG 62 -11.806 2.633 -1.588 510 HD2 ARG 62 HD2 ARG 62 -10.491 2.052 0.482 511 HD3 ARG 62 HD1 ARG 62 -12.189 2.441 0.742 512 HE ARG 62 HE ARG 62 -11.076 -0.300 0.763 513 HH11 ARG 62 HH11 ARG 62 -13.384 2.094 1.837 514 HH12 ARG 62 HH12 ARG 62 -14.177 1.039 2.966 515 HH21 ARG 62 HH21 ARG 62 -12.131 -1.723 2.238 516 HH22 ARG 62 HH22 ARG 62 -13.474 -1.151 3.183 517 H GLU 63 HN GLU 63 -14.961 -0.803 -3.165 518 HA GLU 63 HA GLU 63 -16.869 -1.702 -1.308 519 HB2 GLU 63 HB2 GLU 63 -16.775 -2.277 -4.281 520 HB3 GLU 63 HB1 GLU 63 -18.191 -2.404 -3.250 521 HG2 GLU 63 HG2 GLU 63 -18.194 -0.019 -2.899 522 HG3 GLU 63 HG1 GLU 63 -16.703 0.141 -3.829 523 H ILE 64 HN ILE 64 -14.728 -3.442 -3.510 524 HA ILE 64 HA ILE 64 -15.816 -6.010 -2.988 525 HB ILE 64 HB ILE 64 -13.118 -5.247 -4.115 526 HG12 ILE 64 HG12 ILE 64 -14.953 -4.399 -5.472 527 HG13 ILE 64 HG11 ILE 64 -14.168 -5.740 -6.300 528 HG21 ILE 64 HG21 ILE 64 -14.544 -7.901 -4.174 529 HG22 ILE 64 HG22 ILE 64 -13.079 -7.522 -3.268 530 HG23 ILE 64 HG23 ILE 64 -13.052 -7.518 -5.031 531 HD11 ILE 64 HD11 ILE 64 -16.750 -5.892 -4.759 532 HD12 ILE 64 HD12 ILE 64 -15.972 -7.223 -5.617 533 HD13 ILE 64 HD13 ILE 64 -16.587 -5.836 -6.516 534 H TYR 65 HN TYR 65 -12.959 -4.293 -1.763 535 HA TYR 65 HA TYR 65 -11.956 -6.451 -0.245 536 HB2 TYR 65 HB2 TYR 65 -10.670 -4.420 -0.909 537 HB3 TYR 65 HB1 TYR 65 -11.570 -3.502 0.291 538 HD1 TYR 65 HD2 TYR 65 -9.041 -6.126 -0.218 539 HD2 TYR 65 HD1 TYR 65 -11.049 -3.691 2.640 540 HE1 TYR 65 HE2 TYR 65 -7.374 -6.748 1.477 541 HE2 TYR 65 HE1 TYR 65 -9.382 -4.308 4.340 542 HH TYR 65 HH TYR 65 -7.794 -6.133 4.793 543 H ASP 66 HN ASP 66 -14.297 -3.947 0.420 544 HA ASP 66 HA ASP 66 -14.275 -4.212 3.251 545 HB2 ASP 66 HB2 ASP 66 -15.197 -2.318 1.600 546 HB3 ASP 66 HB1 ASP 66 -16.702 -3.190 1.870 547 H ARG 67 HN ARG 67 -16.466 -5.443 0.705 548 HA ARG 67 HA ARG 67 -18.001 -6.877 2.692 549 HB2 ARG 67 HB2 ARG 67 -19.371 -7.613 0.802 550 HB3 ARG 67 HB1 ARG 67 -19.156 -5.869 0.828 551 HG2 ARG 67 HG2 ARG 67 -17.189 -6.393 -0.816 552 HG3 ARG 67 HG1 ARG 67 -18.100 -7.884 -1.086 553 HD2 ARG 67 HD2 ARG 67 -19.101 -5.066 -1.386 554 HD3 ARG 67 HD1 ARG 67 -18.792 -6.218 -2.691 555 HE ARG 67 HE ARG 67 -20.585 -7.568 -1.262 556 HH11 ARG 67 HH11 ARG 67 -20.593 -4.226 -2.333 557 HH12 ARG 67 HH12 ARG 67 -22.321 -4.102 -2.327 558 HH21 ARG 67 HH21 ARG 67 -22.848 -7.397 -1.206 559 HH22 ARG 67 HH22 ARG 67 -23.614 -5.909 -1.688 560 H TYR 68 HN TYR 68 -15.373 -7.619 0.531 561 HA TYR 68 HA TYR 68 -15.927 -10.488 0.629 562 HB2 TYR 68 HB2 TYR 68 -15.124 -9.163 -1.443 563 HB3 TYR 68 HB1 TYR 68 -13.546 -9.183 -0.672 564 HD1 TYR 68 HD2 TYR 68 -16.269 -11.465 -1.777 565 HD2 TYR 68 HD1 TYR 68 -12.101 -10.959 -1.104 566 HE1 TYR 68 HE2 TYR 68 -15.842 -13.650 -2.815 567 HE2 TYR 68 HE1 TYR 68 -11.663 -13.144 -2.145 568 HH TYR 68 HH TYR 68 -14.034 -14.828 -3.928 569 H GLY 69 HN GLY 69 -14.722 -8.432 2.714 570 HA2 GLY 69 HA2 GLY 69 -12.459 -10.014 3.632 571 HA3 GLY 69 HA1 GLY 69 -13.116 -8.568 4.392 572 H ARG 70 HN ARG 70 -15.646 -9.079 4.778 573 HA ARG 70 HA ARG 70 -15.673 -10.711 7.077 574 HB2 ARG 70 HB2 ARG 70 -17.979 -9.582 5.486 575 HB3 ARG 70 HB1 ARG 70 -18.116 -10.298 7.085 576 HG2 ARG 70 HG2 ARG 70 -16.615 -7.796 6.347 577 HG3 ARG 70 HG1 ARG 70 -18.112 -7.907 7.275 578 HD2 ARG 70 HD2 ARG 70 -15.347 -8.773 8.081 579 HD3 ARG 70 HD1 ARG 70 -16.387 -7.581 8.858 580 HE ARG 70 HE ARG 70 -17.509 -10.233 8.817 581 HH11 ARG 70 HH11 ARG 70 -15.450 -8.015 10.597 582 HH12 ARG 70 HH12 ARG 70 -15.563 -8.918 12.077 583 HH21 ARG 70 HH21 ARG 70 -17.643 -11.400 10.743 584 HH22 ARG 70 HH22 ARG 70 -16.823 -10.833 12.168 585 H GLU 71 HN GLU 71 -17.050 -11.246 3.832 586 HA GLU 71 HA GLU 71 -18.111 -13.797 4.547 587 HB2 GLU 71 HB2 GLU 71 -18.461 -14.071 2.069 588 HB3 GLU 71 HB1 GLU 71 -19.229 -12.661 2.781 589 HG2 GLU 71 HG2 GLU 71 -17.398 -11.260 1.941 590 HG3 GLU 71 HG1 GLU 71 -16.672 -12.684 1.198 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -13.608 3.743 10.095 2 H2 MET 1 HT2 MET 1 -12.069 3.996 10.754 3 H3 MET 1 HT3 MET 1 -13.304 3.356 11.715 4 HA MET 1 HA MET 1 -11.703 1.674 11.011 5 HB2 MET 1 HB2 MET 1 -14.563 1.492 10.086 6 HB3 MET 1 HB1 MET 1 -13.463 0.129 9.947 7 HG2 MET 1 HG2 MET 1 -14.838 -0.015 11.950 8 HG3 MET 1 HG1 MET 1 -13.124 0.119 12.342 9 HE1 MET 1 HE1 MET 1 -14.798 2.008 15.323 10 HE2 MET 1 HE2 MET 1 -13.673 0.735 14.848 11 HE3 MET 1 HE3 MET 1 -15.393 0.567 14.501 12 H ALA 2 HN ALA 2 -10.212 1.333 9.573 13 HA ALA 2 HA ALA 2 -10.721 0.913 6.823 14 HB1 ALA 2 HB1 ALA 2 -10.906 3.371 6.783 15 HB2 ALA 2 HB2 ALA 2 -9.528 2.795 5.845 16 HB3 ALA 2 HB3 ALA 2 -9.276 3.493 7.445 17 H SER 3 HN SER 3 -8.269 2.105 9.065 18 HA SER 3 HA SER 3 -6.293 1.289 9.782 19 HB2 SER 3 HB2 SER 3 -7.598 -0.892 9.842 20 HB3 SER 3 HB1 SER 3 -6.865 -1.270 8.284 21 HG SER 3 HG SER 3 -5.647 -2.159 9.983 22 H TYR 4 HN TYR 4 -7.003 1.771 6.568 23 HA TYR 4 HA TYR 4 -4.704 0.863 5.252 24 HB2 TYR 4 HB2 TYR 4 -6.577 3.139 4.606 25 HB3 TYR 4 HB1 TYR 4 -5.285 2.614 3.532 26 HD1 TYR 4 HD1 TYR 4 -5.332 0.199 2.705 27 HD2 TYR 4 HD2 TYR 4 -8.669 2.072 4.563 28 HE1 TYR 4 HE1 TYR 4 -6.825 -1.477 1.701 29 HE2 TYR 4 HE2 TYR 4 -10.168 0.398 3.571 30 HH TYR 4 HH TYR 4 -9.049 -2.450 2.120 31 H TYR 5 HN TYR 5 -5.291 3.745 7.122 32 HA TYR 5 HA TYR 5 -2.998 5.195 6.387 33 HB2 TYR 5 HB2 TYR 5 -3.364 6.051 8.898 34 HB3 TYR 5 HB1 TYR 5 -4.405 6.549 7.569 35 HD1 TYR 5 HD1 TYR 5 -4.147 4.336 10.516 36 HD2 TYR 5 HD2 TYR 5 -6.691 5.876 7.473 37 HE1 TYR 5 HE1 TYR 5 -6.105 3.443 11.706 38 HE2 TYR 5 HE2 TYR 5 -8.652 4.989 8.655 39 HH TYR 5 HH TYR 5 -8.542 3.865 11.844 40 H GLU 6 HN GLU 6 -3.519 2.618 8.710 41 HA GLU 6 HA GLU 6 -0.892 2.763 9.831 42 HB2 GLU 6 HB2 GLU 6 -3.105 0.733 9.979 43 HB3 GLU 6 HB1 GLU 6 -1.531 0.447 10.713 44 HG2 GLU 6 HG2 GLU 6 -3.250 2.830 11.315 45 HG3 GLU 6 HG1 GLU 6 -3.256 1.338 12.261 46 H ILE 7 HN ILE 7 -2.454 0.731 7.374 47 HA ILE 7 HA ILE 7 -0.209 -0.970 7.061 48 HB ILE 7 HB ILE 7 -1.277 -1.818 5.031 49 HG12 ILE 7 HG12 ILE 7 -3.748 -0.821 4.773 50 HG13 ILE 7 HG11 ILE 7 -2.932 0.639 5.311 51 HG21 ILE 7 HG21 ILE 7 -3.234 -2.738 6.066 52 HG22 ILE 7 HG22 ILE 7 -3.299 -1.408 7.221 53 HG23 ILE 7 HG23 ILE 7 -1.972 -2.573 7.289 54 HD11 ILE 7 HD11 ILE 7 -1.363 0.432 3.440 55 HD12 ILE 7 HD12 ILE 7 -3.039 0.555 2.902 56 HD13 ILE 7 HD13 ILE 7 -2.225 -1.009 2.897 57 H LEU 8 HN LEU 8 -1.244 1.953 5.377 58 HA LEU 8 HA LEU 8 1.290 1.938 3.907 59 HB2 LEU 8 HB2 LEU 8 -0.842 2.330 2.659 60 HB3 LEU 8 HB1 LEU 8 -1.060 3.805 3.577 61 HG LEU 8 HG LEU 8 0.991 4.730 2.595 62 HD11 LEU 8 HD11 LEU 8 2.080 3.573 0.734 63 HD12 LEU 8 HD12 LEU 8 1.049 2.168 1.004 64 HD13 LEU 8 HD13 LEU 8 2.215 2.659 2.235 65 HD21 LEU 8 HD21 LEU 8 -1.000 3.680 0.586 66 HD22 LEU 8 HD22 LEU 8 0.137 4.998 0.305 67 HD23 LEU 8 HD23 LEU 8 -1.135 5.174 1.514 68 H ASP 9 HN ASP 9 -0.391 4.869 4.723 69 HA ASP 9 HA ASP 9 0.859 5.557 7.102 70 HB2 ASP 9 HB2 ASP 9 2.579 7.145 6.407 71 HB3 ASP 9 HB1 ASP 9 2.961 5.531 5.825 72 H VAL 10 HN VAL 10 -0.808 6.369 4.219 73 HA VAL 10 HA VAL 10 -1.850 8.801 5.520 74 HB VAL 10 HB VAL 10 -2.514 9.544 3.216 75 HG11 VAL 10 HG11 VAL 10 0.430 9.117 3.705 76 HG12 VAL 10 HG12 VAL 10 -0.546 10.468 4.281 77 HG13 VAL 10 HG13 VAL 10 -0.258 10.261 2.553 78 HG21 VAL 10 HG21 VAL 10 -0.740 7.258 2.359 79 HG22 VAL 10 HG22 VAL 10 -1.388 8.508 1.296 80 HG23 VAL 10 HG23 VAL 10 -2.479 7.382 2.103 81 HA PRO 11 HA PRO 11 -5.800 6.799 5.228 82 HB2 PRO 11 HB2 PRO 11 -7.278 8.917 6.119 83 HB3 PRO 11 HB1 PRO 11 -6.265 7.917 7.163 84 HG2 PRO 11 HG2 PRO 11 -5.892 10.683 6.383 85 HG3 PRO 11 HG1 PRO 11 -4.992 9.737 7.576 86 HD2 PRO 11 HD2 PRO 11 -4.292 10.381 4.802 87 HD3 PRO 11 HD1 PRO 11 -3.258 9.778 6.113 88 H ARG 12 HN ARG 12 -8.157 7.495 4.572 89 HA ARG 12 HA ARG 12 -8.166 7.817 1.772 90 HB2 ARG 12 HB2 ARG 12 -10.637 7.927 2.027 91 HB3 ARG 12 HB1 ARG 12 -9.913 6.555 2.858 92 HG2 ARG 12 HG2 ARG 12 -10.146 7.634 4.977 93 HG3 ARG 12 HG1 ARG 12 -10.639 9.145 4.209 94 HD2 ARG 12 HD2 ARG 12 -12.637 7.952 3.312 95 HD3 ARG 12 HD1 ARG 12 -12.164 6.543 4.265 96 HE ARG 12 HE ARG 12 -12.576 7.812 6.257 97 HH11 ARG 12 HH11 ARG 12 -13.693 9.289 3.282 98 HH12 ARG 12 HH12 ARG 12 -14.725 10.429 4.089 99 HH21 ARG 12 HH21 ARG 12 -13.921 9.286 7.316 100 HH22 ARG 12 HH22 ARG 12 -14.868 10.428 6.400 101 H SER 13 HN SER 13 -8.434 10.072 4.366 102 HA SER 13 HA SER 13 -9.851 12.136 3.112 103 HB2 SER 13 HB2 SER 13 -8.572 13.531 4.922 104 HB3 SER 13 HB1 SER 13 -9.758 12.325 5.416 105 HG SER 13 HG SER 13 -7.083 12.423 5.889 106 H ALA 14 HN ALA 14 -6.591 11.127 2.725 107 HA ALA 14 HA ALA 14 -5.631 13.654 1.725 108 HB1 ALA 14 HB1 ALA 14 -3.558 12.603 1.394 109 HB2 ALA 14 HB2 ALA 14 -4.280 10.999 1.339 110 HB3 ALA 14 HB3 ALA 14 -4.206 11.880 2.867 111 H SER 15 HN SER 15 -5.209 14.183 -0.398 112 HA SER 15 HA SER 15 -6.891 13.397 -2.443 113 HB2 SER 15 HB2 SER 15 -5.553 15.418 -2.597 114 HB3 SER 15 HB1 SER 15 -4.061 14.484 -2.564 115 HG SER 15 HG SER 15 -5.964 14.751 -4.638 116 H ALA 16 HN ALA 16 -6.837 11.851 -4.044 117 HA ALA 16 HA ALA 16 -5.613 9.395 -3.567 118 HB1 ALA 16 HB1 ALA 16 -6.576 10.458 -6.223 119 HB2 ALA 16 HB2 ALA 16 -7.578 9.668 -5.006 120 HB3 ALA 16 HB3 ALA 16 -6.298 8.764 -5.815 121 H ASP 17 HN ASP 17 -4.502 12.164 -5.397 122 HA ASP 17 HA ASP 17 -2.205 10.973 -6.537 123 HB2 ASP 17 HB2 ASP 17 -2.951 13.812 -5.894 124 HB3 ASP 17 HB1 ASP 17 -1.348 13.412 -6.500 125 H ASP 18 HN ASP 18 -2.861 12.397 -3.404 126 HA ASP 18 HA ASP 18 -0.172 12.485 -2.478 127 HB2 ASP 18 HB2 ASP 18 -2.094 13.753 -1.451 128 HB3 ASP 18 HB1 ASP 18 -2.672 12.227 -0.783 129 H ILE 19 HN ILE 19 -2.802 10.132 -2.104 130 HA ILE 19 HA ILE 19 -1.370 8.196 -0.664 131 HB ILE 19 HB ILE 19 -3.718 8.040 -2.524 132 HG12 ILE 19 HG12 ILE 19 -4.678 7.030 -0.344 133 HG13 ILE 19 HG11 ILE 19 -3.235 7.699 0.411 134 HG21 ILE 19 HG21 ILE 19 -2.426 5.998 -2.944 135 HG22 ILE 19 HG22 ILE 19 -3.955 5.664 -2.134 136 HG23 ILE 19 HG23 ILE 19 -2.449 5.639 -1.216 137 HD11 ILE 19 HD11 ILE 19 -5.536 9.094 -0.850 138 HD12 ILE 19 HD12 ILE 19 -3.955 9.866 -0.791 139 HD13 ILE 19 HD13 ILE 19 -4.755 9.383 0.708 140 H LYS 20 HN LYS 20 -1.613 8.847 -4.117 141 HA LYS 20 HA LYS 20 -0.057 6.667 -4.993 142 HB2 LYS 20 HB2 LYS 20 -1.557 8.405 -6.289 143 HB3 LYS 20 HB1 LYS 20 -0.039 9.275 -6.455 144 HG2 LYS 20 HG2 LYS 20 0.964 7.366 -7.564 145 HG3 LYS 20 HG1 LYS 20 -0.519 6.438 -7.339 146 HD2 LYS 20 HD2 LYS 20 -0.231 8.965 -8.964 147 HD3 LYS 20 HD1 LYS 20 -0.380 7.330 -9.610 148 HE2 LYS 20 HE2 LYS 20 -2.462 8.674 -7.887 149 HE3 LYS 20 HE1 LYS 20 -2.495 8.664 -9.647 150 HZ1 LYS 20 HZ1 LYS 20 -2.527 6.227 -7.953 151 HZ2 LYS 20 HZ2 LYS 20 -2.687 6.285 -9.636 152 HZ3 LYS 20 HZ3 LYS 20 -3.899 6.939 -8.646 153 H LYS 21 HN LYS 21 0.769 9.920 -3.885 154 HA LYS 21 HA LYS 21 3.551 9.784 -4.387 155 HB2 LYS 21 HB2 LYS 21 2.055 11.269 -2.217 156 HB3 LYS 21 HB1 LYS 21 3.761 11.478 -2.564 157 HG2 LYS 21 HG2 LYS 21 1.523 12.075 -4.488 158 HG3 LYS 21 HG1 LYS 21 2.352 13.265 -3.487 159 HD2 LYS 21 HD2 LYS 21 3.444 13.464 -5.525 160 HD3 LYS 21 HD1 LYS 21 4.499 12.371 -4.629 161 HE2 LYS 21 HE2 LYS 21 4.096 11.661 -6.962 162 HE3 LYS 21 HE1 LYS 21 3.600 10.460 -5.761 163 HZ1 LYS 21 HZ1 LYS 21 1.808 12.357 -7.214 164 HZ2 LYS 21 HZ2 LYS 21 1.304 11.277 -6.014 165 HZ3 LYS 21 HZ3 LYS 21 1.925 10.685 -7.476 166 H ALA 22 HN ALA 22 1.558 8.868 -1.627 167 HA ALA 22 HA ALA 22 3.591 8.041 0.106 168 HB1 ALA 22 HB1 ALA 22 0.837 6.835 -0.110 169 HB2 ALA 22 HB2 ALA 22 1.190 8.347 0.723 170 HB3 ALA 22 HB3 ALA 22 1.892 6.835 1.301 171 H TYR 23 HN TYR 23 1.740 6.232 -2.326 172 HA TYR 23 HA TYR 23 3.035 3.767 -1.974 173 HB2 TYR 23 HB2 TYR 23 1.247 3.365 -3.284 174 HB3 TYR 23 HB1 TYR 23 1.278 4.974 -4.005 175 HD1 TYR 23 HD2 TYR 23 2.895 1.617 -4.175 176 HD2 TYR 23 HD1 TYR 23 2.098 5.284 -6.181 177 HE1 TYR 23 HE2 TYR 23 3.807 0.673 -6.255 178 HE2 TYR 23 HE1 TYR 23 3.007 4.350 -8.262 179 HH TYR 23 HH TYR 23 3.721 1.010 -8.643 180 H ARG 24 HN ARG 24 3.852 6.535 -4.056 181 HA ARG 24 HA ARG 24 5.927 5.162 -5.394 182 HB2 ARG 24 HB2 ARG 24 5.303 8.106 -5.139 183 HB3 ARG 24 HB1 ARG 24 6.749 7.526 -5.964 184 HG2 ARG 24 HG2 ARG 24 5.213 6.122 -7.383 185 HG3 ARG 24 HG1 ARG 24 3.883 7.043 -6.674 186 HD2 ARG 24 HD2 ARG 24 4.393 8.218 -8.630 187 HD3 ARG 24 HD1 ARG 24 5.226 9.106 -7.345 188 HE ARG 24 HE ARG 24 6.842 7.076 -8.604 189 HH11 ARG 24 HH11 ARG 24 5.822 10.429 -8.800 190 HH12 ARG 24 HH12 ARG 24 7.231 10.929 -9.686 191 HH21 ARG 24 HH21 ARG 24 8.656 7.730 -9.775 192 HH22 ARG 24 HH22 ARG 24 8.830 9.390 -10.269 193 H ARG 25 HN ARG 25 5.984 7.328 -2.556 194 HA ARG 25 HA ARG 25 8.811 7.103 -2.264 195 HB2 ARG 25 HB2 ARG 25 8.522 8.099 -0.060 196 HB3 ARG 25 HB1 ARG 25 7.612 8.980 -1.273 197 HG2 ARG 25 HG2 ARG 25 5.550 7.983 -0.506 198 HG3 ARG 25 HG1 ARG 25 6.436 6.981 0.650 199 HD2 ARG 25 HD2 ARG 25 7.166 8.925 1.853 200 HD3 ARG 25 HD1 ARG 25 6.482 9.994 0.634 201 HE ARG 25 HE ARG 25 4.620 8.235 2.020 202 HH11 ARG 25 HH11 ARG 25 6.093 11.402 1.781 203 HH12 ARG 25 HH12 ARG 25 4.810 12.211 2.642 204 HH21 ARG 25 HH21 ARG 25 2.943 9.279 3.202 205 HH22 ARG 25 HH22 ARG 25 3.019 11.006 3.434 206 H LYS 26 HN LYS 26 6.071 5.283 -1.099 207 HA LYS 26 HA LYS 26 7.339 3.549 0.695 208 HB2 LYS 26 HB2 LYS 26 4.888 3.777 0.329 209 HB3 LYS 26 HB1 LYS 26 5.070 2.993 -1.230 210 HG2 LYS 26 HG2 LYS 26 4.212 1.440 0.383 211 HG3 LYS 26 HG1 LYS 26 5.845 0.965 -0.094 212 HD2 LYS 26 HD2 LYS 26 6.761 1.701 1.909 213 HD3 LYS 26 HD1 LYS 26 5.341 2.652 2.331 214 HE2 LYS 26 HE2 LYS 26 5.459 0.628 3.684 215 HE3 LYS 26 HE1 LYS 26 4.048 0.601 2.629 216 HZ1 LYS 26 HZ1 LYS 26 5.312 -0.819 1.102 217 HZ2 LYS 26 HZ2 LYS 26 5.102 -1.531 2.626 218 HZ3 LYS 26 HZ3 LYS 26 6.597 -0.850 2.201 219 H ALA 27 HN ALA 27 6.845 3.385 -2.775 220 HA ALA 27 HA ALA 27 8.135 0.928 -3.259 221 HB1 ALA 27 HB1 ALA 27 8.075 3.102 -5.307 222 HB2 ALA 27 HB2 ALA 27 6.564 2.374 -4.770 223 HB3 ALA 27 HB3 ALA 27 7.817 1.368 -5.508 224 H LEU 28 HN LEU 28 9.298 4.275 -3.482 225 HA LEU 28 HA LEU 28 11.869 3.590 -4.456 226 HB2 LEU 28 HB2 LEU 28 10.519 6.033 -3.529 227 HB3 LEU 28 HB1 LEU 28 12.266 6.043 -3.377 228 HG LEU 28 HG LEU 28 12.398 5.485 -5.823 229 HD11 LEU 28 HD11 LEU 28 9.512 6.274 -5.945 230 HD12 LEU 28 HD12 LEU 28 10.010 4.592 -5.815 231 HD13 LEU 28 HD13 LEU 28 10.517 5.555 -7.206 232 HD21 LEU 28 HD21 LEU 28 12.686 7.766 -5.013 233 HD22 LEU 28 HD22 LEU 28 10.942 8.020 -5.087 234 HD23 LEU 28 HD23 LEU 28 11.856 7.750 -6.570 235 H GLN 29 HN GLN 29 10.601 4.094 -1.219 236 HA GLN 29 HA GLN 29 13.053 4.308 0.133 237 HB2 GLN 29 HB2 GLN 29 10.876 4.876 1.139 238 HB3 GLN 29 HB1 GLN 29 10.436 3.173 1.139 239 HG2 GLN 29 HG2 GLN 29 11.137 3.827 3.338 240 HG3 GLN 29 HG1 GLN 29 12.314 2.710 2.653 241 HE21 GLN 29 HE21 GLN 29 13.967 3.394 3.962 242 HE22 GLN 29 HE22 GLN 29 14.706 4.951 3.822 243 H TRP 30 HN TRP 30 11.145 1.496 -0.820 244 HA TRP 30 HA TRP 30 13.213 -0.231 0.362 245 HB2 TRP 30 HB2 TRP 30 10.396 -1.002 -0.421 246 HB3 TRP 30 HB1 TRP 30 11.557 -1.995 0.458 247 HD1 TRP 30 HD1 TRP 30 8.557 -0.354 1.248 248 HE1 TRP 30 HE1 TRP 30 8.480 0.580 3.655 249 HE3 TRP 30 HE3 TRP 30 13.561 -0.418 2.310 250 HZ2 TRP 30 HZ2 TRP 30 10.293 1.209 5.706 251 HZ3 TRP 30 HZ3 TRP 30 14.303 0.374 4.519 252 HH2 TRP 30 HH2 TRP 30 12.703 1.170 6.181 253 H HIS 31 HN HIS 31 13.040 1.188 -2.293 254 HA HIS 31 HA HIS 31 12.804 -0.810 -4.317 255 HB2 HIS 31 HB2 HIS 31 12.600 1.771 -4.495 256 HB3 HIS 31 HB1 HIS 31 14.356 1.771 -4.544 257 HD1 HIS 31 HD1 HIS 31 15.344 1.654 -6.799 258 HD2 HIS 31 HD2 HIS 31 11.471 0.126 -6.704 259 HE1 HIS 31 HE1 HIS 31 14.760 1.123 -9.195 260 HE2 HIS 31 HE2 HIS 31 12.394 0.245 -9.123 261 HA PRO 32 HA PRO 32 16.396 -3.130 -3.684 262 HB2 PRO 32 HB2 PRO 32 17.145 -3.637 -6.306 263 HB3 PRO 32 HB1 PRO 32 15.911 -4.523 -5.402 264 HG2 PRO 32 HG2 PRO 32 15.590 -2.268 -7.339 265 HG3 PRO 32 HG1 PRO 32 14.622 -3.742 -7.169 266 HD2 PRO 32 HD2 PRO 32 13.729 -1.427 -6.218 267 HD3 PRO 32 HD1 PRO 32 13.500 -2.927 -5.288 268 H ASP 33 HN ASP 33 16.800 -0.473 -5.991 269 HA ASP 33 HA ASP 33 19.649 -0.538 -5.927 270 HB2 ASP 33 HB2 ASP 33 19.609 1.472 -7.179 271 HB3 ASP 33 HB1 ASP 33 18.215 0.548 -7.722 272 H LYS 34 HN LYS 34 17.200 0.933 -3.952 273 HA LYS 34 HA LYS 34 19.220 2.357 -2.371 274 HB2 LYS 34 HB2 LYS 34 16.511 2.920 -3.070 275 HB3 LYS 34 HB1 LYS 34 16.597 2.737 -1.324 276 HG2 LYS 34 HG2 LYS 34 16.942 5.017 -1.722 277 HG3 LYS 34 HG1 LYS 34 18.548 4.361 -1.399 278 HD2 LYS 34 HD2 LYS 34 18.788 5.792 -3.267 279 HD3 LYS 34 HD1 LYS 34 18.822 4.146 -3.906 280 HE2 LYS 34 HE2 LYS 34 16.420 4.357 -4.463 281 HE3 LYS 34 HE1 LYS 34 16.465 6.028 -3.902 282 HZ1 LYS 34 HZ1 LYS 34 16.701 6.061 -6.241 283 HZ2 LYS 34 HZ2 LYS 34 17.896 4.859 -6.218 284 HZ3 LYS 34 HZ3 LYS 34 18.239 6.405 -5.603 285 H ASN 35 HN ASN 35 18.265 -0.632 -2.498 286 HA ASN 35 HA ASN 35 17.762 -1.007 0.374 287 HB2 ASN 35 HB2 ASN 35 16.091 -2.052 -1.080 288 HB3 ASN 35 HB1 ASN 35 17.362 -2.877 -1.982 289 HD21 ASN 35 HD21 ASN 35 15.585 -2.731 0.996 290 HD22 ASN 35 HD22 ASN 35 16.026 -4.307 1.564 291 HA PRO 36 HA PRO 36 21.938 -2.445 0.606 292 HB2 PRO 36 HB2 PRO 36 21.995 -3.075 3.219 293 HB3 PRO 36 HB1 PRO 36 21.916 -1.404 2.648 294 HG2 PRO 36 HG2 PRO 36 19.772 -3.125 3.781 295 HG3 PRO 36 HG1 PRO 36 20.021 -1.382 3.950 296 HD2 PRO 36 HD2 PRO 36 18.221 -2.613 2.206 297 HD3 PRO 36 HD1 PRO 36 18.773 -0.931 2.111 298 H ASP 37 HN ASP 37 21.263 -4.573 3.173 299 HA ASP 37 HA ASP 37 21.982 -6.763 1.368 300 HB2 ASP 37 HB2 ASP 37 22.070 -6.709 4.379 301 HB3 ASP 37 HB1 ASP 37 22.755 -7.943 3.334 302 H ASN 38 HN ASN 38 19.246 -5.619 2.964 303 HA ASN 38 HA ASN 38 18.152 -8.339 3.184 304 HB2 ASN 38 HB2 ASN 38 17.296 -5.792 4.570 305 HB3 ASN 38 HB1 ASN 38 16.420 -7.316 4.676 306 HD21 ASN 38 HD21 ASN 38 19.130 -5.503 5.744 307 HD22 ASN 38 HD22 ASN 38 19.731 -6.662 6.882 308 H LYS 39 HN LYS 39 17.255 -8.819 1.296 309 HA LYS 39 HA LYS 39 15.685 -6.766 -0.095 310 HB2 LYS 39 HB2 LYS 39 16.773 -9.430 -1.027 311 HB3 LYS 39 HB1 LYS 39 15.718 -8.416 -1.999 312 HG2 LYS 39 HG2 LYS 39 17.873 -7.970 -2.777 313 HG3 LYS 39 HG1 LYS 39 17.476 -6.599 -1.744 314 HD2 LYS 39 HD2 LYS 39 19.776 -7.369 -1.381 315 HD3 LYS 39 HD1 LYS 39 18.791 -7.565 0.071 316 HE2 LYS 39 HE2 LYS 39 18.524 -9.919 -0.380 317 HE3 LYS 39 HE1 LYS 39 19.381 -9.761 -1.913 318 HZ1 LYS 39 HZ1 LYS 39 21.389 -9.219 -0.732 319 HZ2 LYS 39 HZ2 LYS 39 20.766 -10.673 -0.113 320 HZ3 LYS 39 HZ3 LYS 39 20.577 -9.234 0.759 321 H GLU 40 HN GLU 40 15.380 -9.558 1.813 322 HA GLU 40 HA GLU 40 13.059 -10.763 0.823 323 HB2 GLU 40 HB2 GLU 40 14.391 -11.888 2.441 324 HB3 GLU 40 HB1 GLU 40 14.264 -10.566 3.577 325 HG2 GLU 40 HG2 GLU 40 12.955 -12.498 4.265 326 HG3 GLU 40 HG1 GLU 40 11.944 -11.082 3.987 327 H PHE 41 HN PHE 41 13.423 -8.275 3.340 328 HA PHE 41 HA PHE 41 10.607 -7.985 3.628 329 HB2 PHE 41 HB2 PHE 41 11.006 -6.345 5.220 330 HB3 PHE 41 HB1 PHE 41 12.434 -7.358 5.344 331 HD1 PHE 41 HD1 PHE 41 14.597 -6.543 4.497 332 HD2 PHE 41 HD2 PHE 41 11.119 -4.096 4.514 333 HE1 PHE 41 HE1 PHE 41 16.005 -4.543 4.247 334 HE2 PHE 41 HE2 PHE 41 12.519 -2.094 4.256 335 HZ PHE 41 HZ PHE 41 14.967 -2.316 4.125 336 H ALA 42 HN ALA 42 13.036 -6.389 1.661 337 HA ALA 42 HA ALA 42 11.546 -4.159 0.848 338 HB1 ALA 42 HB1 ALA 42 13.801 -5.658 -0.450 339 HB2 ALA 42 HB2 ALA 42 13.849 -4.094 0.371 340 HB3 ALA 42 HB3 ALA 42 13.064 -4.244 -1.200 341 H GLU 43 HN GLU 43 11.802 -7.415 -0.594 342 HA GLU 43 HA GLU 43 10.152 -6.774 -2.814 343 HB2 GLU 43 HB2 GLU 43 10.010 -9.221 -3.184 344 HB3 GLU 43 HB1 GLU 43 11.658 -8.639 -3.005 345 HG2 GLU 43 HG2 GLU 43 11.867 -9.567 -0.860 346 HG3 GLU 43 HG1 GLU 43 10.128 -9.820 -0.713 347 H LYS 44 HN LYS 44 9.482 -8.231 0.363 348 HA LYS 44 HA LYS 44 6.723 -8.662 -0.174 349 HB2 LYS 44 HB2 LYS 44 8.407 -8.640 2.271 350 HB3 LYS 44 HB1 LYS 44 6.674 -8.430 2.487 351 HG2 LYS 44 HG2 LYS 44 7.185 -10.747 2.711 352 HG3 LYS 44 HG1 LYS 44 6.317 -10.520 1.193 353 HD2 LYS 44 HD2 LYS 44 8.460 -10.563 -0.015 354 HD3 LYS 44 HD1 LYS 44 9.302 -10.834 1.511 355 HE2 LYS 44 HE2 LYS 44 7.877 -12.902 1.786 356 HE3 LYS 44 HE1 LYS 44 7.357 -12.662 0.118 357 HZ1 LYS 44 HZ1 LYS 44 9.715 -12.762 -0.548 358 HZ2 LYS 44 HZ2 LYS 44 9.184 -14.201 0.174 359 HZ3 LYS 44 HZ3 LYS 44 10.141 -13.115 1.059 360 H LYS 45 HN LYS 45 8.524 -5.921 1.093 361 HA LYS 45 HA LYS 45 6.289 -4.348 1.819 362 HB2 LYS 45 HB2 LYS 45 9.128 -3.645 1.114 363 HB3 LYS 45 HB1 LYS 45 7.934 -2.408 1.486 364 HG2 LYS 45 HG2 LYS 45 8.917 -4.603 3.296 365 HG3 LYS 45 HG1 LYS 45 9.160 -2.866 3.479 366 HD2 LYS 45 HD2 LYS 45 6.695 -2.618 3.686 367 HD3 LYS 45 HD1 LYS 45 6.569 -4.369 3.659 368 HE2 LYS 45 HE2 LYS 45 7.937 -4.500 5.675 369 HE3 LYS 45 HE1 LYS 45 8.059 -2.743 5.710 370 HZ1 LYS 45 HZ1 LYS 45 5.718 -2.564 6.073 371 HZ2 LYS 45 HZ2 LYS 45 6.331 -3.661 7.212 372 HZ3 LYS 45 HZ3 LYS 45 5.492 -4.230 5.853 373 H PHE 46 HN PHE 46 7.995 -4.869 -1.179 374 HA PHE 46 HA PHE 46 6.633 -2.895 -2.704 375 HB2 PHE 46 HB2 PHE 46 8.764 -3.981 -3.400 376 HB3 PHE 46 HB1 PHE 46 7.883 -5.484 -3.660 377 HD1 PHE 46 HD2 PHE 46 8.134 -1.964 -4.776 378 HD2 PHE 46 HD1 PHE 46 6.808 -5.901 -5.695 379 HE1 PHE 46 HE2 PHE 46 7.642 -1.255 -7.081 380 HE2 PHE 46 HE1 PHE 46 6.316 -5.202 -8.000 381 HZ PHE 46 HZ PHE 46 6.731 -2.876 -8.695 382 H LYS 47 HN LYS 47 6.014 -6.299 -1.997 383 HA LYS 47 HA LYS 47 3.837 -6.686 -3.732 384 HB2 LYS 47 HB2 LYS 47 4.959 -8.561 -2.700 385 HB3 LYS 47 HB1 LYS 47 4.543 -7.984 -1.095 386 HG2 LYS 47 HG2 LYS 47 3.094 -9.773 -1.529 387 HG3 LYS 47 HG1 LYS 47 2.121 -8.317 -1.741 388 HD2 LYS 47 HD2 LYS 47 1.651 -9.901 -3.515 389 HD3 LYS 47 HD1 LYS 47 2.455 -8.477 -4.178 390 HE2 LYS 47 HE2 LYS 47 4.541 -9.640 -4.320 391 HE3 LYS 47 HE1 LYS 47 3.892 -11.020 -3.435 392 HZ1 LYS 47 HZ1 LYS 47 2.904 -10.121 -6.089 393 HZ2 LYS 47 HZ2 LYS 47 2.457 -11.533 -5.258 394 HZ3 LYS 47 HZ3 LYS 47 4.034 -11.368 -5.857 395 H GLU 48 HN GLU 48 3.947 -5.705 -0.318 396 HA GLU 48 HA GLU 48 1.151 -5.641 0.026 397 HB2 GLU 48 HB2 GLU 48 1.657 -4.283 2.072 398 HB3 GLU 48 HB1 GLU 48 2.506 -5.821 1.978 399 HG2 GLU 48 HG2 GLU 48 4.541 -4.769 1.413 400 HG3 GLU 48 HG1 GLU 48 3.743 -3.228 1.119 401 H VAL 49 HN VAL 49 3.488 -3.067 -0.800 402 HA VAL 49 HA VAL 49 1.566 -0.996 -0.604 403 HB VAL 49 HB VAL 49 3.929 -0.431 -0.552 404 HG11 VAL 49 HG11 VAL 49 4.049 -1.096 -3.483 405 HG12 VAL 49 HG12 VAL 49 4.658 -2.154 -2.212 406 HG13 VAL 49 HG13 VAL 49 5.372 -0.556 -2.450 407 HG21 VAL 49 HG21 VAL 49 3.883 1.507 -1.979 408 HG22 VAL 49 HG22 VAL 49 2.271 1.240 -1.315 409 HG23 VAL 49 HG23 VAL 49 2.625 0.782 -2.979 410 H ALA 50 HN ALA 50 2.555 -3.075 -3.291 411 HA ALA 50 HA ALA 50 1.284 -1.608 -5.329 412 HB1 ALA 50 HB1 ALA 50 1.696 -4.596 -5.231 413 HB2 ALA 50 HB2 ALA 50 2.930 -3.428 -5.696 414 HB3 ALA 50 HB3 ALA 50 1.473 -3.601 -6.672 415 H GLU 51 HN GLU 51 0.114 -4.350 -3.354 416 HA GLU 51 HA GLU 51 -2.445 -4.318 -4.629 417 HB2 GLU 51 HB2 GLU 51 -3.116 -5.996 -3.052 418 HB3 GLU 51 HB1 GLU 51 -1.499 -6.368 -3.626 419 HG2 GLU 51 HG2 GLU 51 -0.527 -5.636 -1.583 420 HG3 GLU 51 HG1 GLU 51 -2.058 -4.977 -1.023 421 H ALA 52 HN ALA 52 -1.150 -3.006 -1.637 422 HA ALA 52 HA ALA 52 -3.704 -2.334 -0.560 423 HB1 ALA 52 HB1 ALA 52 -1.640 -2.852 0.764 424 HB2 ALA 52 HB2 ALA 52 -2.527 -1.409 1.269 425 HB3 ALA 52 HB3 ALA 52 -1.044 -1.248 0.324 426 H TYR 53 HN TYR 53 -1.219 -0.545 -2.337 427 HA TYR 53 HA TYR 53 -2.488 1.982 -2.025 428 HB2 TYR 53 HB2 TYR 53 -0.421 2.497 -2.772 429 HB3 TYR 53 HB1 TYR 53 -0.193 0.921 -3.519 430 HD1 TYR 53 HD1 TYR 53 -1.901 4.184 -4.030 431 HD2 TYR 53 HD2 TYR 53 -0.217 0.730 -5.857 432 HE1 TYR 53 HE1 TYR 53 -2.233 5.187 -6.230 433 HE2 TYR 53 HE2 TYR 53 -0.536 1.746 -8.078 434 HH TYR 53 HH TYR 53 -2.017 3.467 -9.112 435 H GLU 54 HN GLU 54 -2.577 -0.536 -4.496 436 HA GLU 54 HA GLU 54 -4.239 0.708 -6.343 437 HB2 GLU 54 HB2 GLU 54 -3.096 -1.402 -6.793 438 HB3 GLU 54 HB1 GLU 54 -4.088 -2.219 -5.595 439 HG2 GLU 54 HG2 GLU 54 -4.934 -2.783 -7.732 440 HG3 GLU 54 HG1 GLU 54 -6.082 -1.670 -6.989 441 H VAL 55 HN VAL 55 -5.144 -1.333 -3.555 442 HA VAL 55 HA VAL 55 -7.925 -1.119 -4.072 443 HB VAL 55 HB VAL 55 -7.044 -3.009 -2.823 444 HG11 VAL 55 HG11 VAL 55 -5.286 -1.945 -1.559 445 HG12 VAL 55 HG12 VAL 55 -6.401 -2.780 -0.482 446 HG13 VAL 55 HG13 VAL 55 -6.474 -1.028 -0.634 447 HG21 VAL 55 HG21 VAL 55 -8.982 -1.344 -1.234 448 HG22 VAL 55 HG22 VAL 55 -8.721 -3.078 -1.040 449 HG23 VAL 55 HG23 VAL 55 -9.378 -2.447 -2.551 450 H LEU 56 HN LEU 56 -5.729 0.670 -1.932 451 HA LEU 56 HA LEU 56 -7.843 2.098 -0.647 452 HB2 LEU 56 HB2 LEU 56 -5.647 1.596 0.385 453 HB3 LEU 56 HB1 LEU 56 -4.898 2.735 -0.712 454 HG LEU 56 HG LEU 56 -5.427 3.459 1.710 455 HD11 LEU 56 HD11 LEU 56 -5.851 5.761 1.008 456 HD12 LEU 56 HD12 LEU 56 -6.250 5.186 -0.611 457 HD13 LEU 56 HD13 LEU 56 -4.613 4.994 0.014 458 HD21 LEU 56 HD21 LEU 56 -7.624 4.428 2.049 459 HD22 LEU 56 HD22 LEU 56 -7.740 2.695 1.735 460 HD23 LEU 56 HD23 LEU 56 -8.132 3.850 0.462 461 H SER 57 HN SER 57 -5.903 2.672 -3.501 462 HA SER 57 HA SER 57 -6.506 5.480 -3.582 463 HB2 SER 57 HB2 SER 57 -4.412 4.563 -4.529 464 HB3 SER 57 HB1 SER 57 -5.353 3.697 -5.741 465 HG SER 57 HG SER 57 -6.205 5.990 -6.145 466 H ASP 58 HN ASP 58 -8.122 2.632 -4.515 467 HA ASP 58 HA ASP 58 -9.910 4.189 -6.266 468 HB2 ASP 58 HB2 ASP 58 -8.818 2.281 -7.397 469 HB3 ASP 58 HB1 ASP 58 -9.528 1.191 -6.210 470 H LYS 59 HN LYS 59 -11.934 4.494 -5.641 471 HA LYS 59 HA LYS 59 -12.645 3.891 -2.978 472 HB2 LYS 59 HB2 LYS 59 -14.926 4.751 -3.812 473 HB3 LYS 59 HB1 LYS 59 -13.575 5.865 -3.723 474 HG2 LYS 59 HG2 LYS 59 -14.394 6.404 -5.773 475 HG3 LYS 59 HG1 LYS 59 -13.292 5.114 -6.248 476 HD2 LYS 59 HD2 LYS 59 -15.251 4.595 -7.383 477 HD3 LYS 59 HD1 LYS 59 -15.316 3.559 -5.958 478 HE2 LYS 59 HE2 LYS 59 -16.730 6.212 -6.255 479 HE3 LYS 59 HE1 LYS 59 -17.484 4.637 -6.476 480 HZ1 LYS 59 HZ1 LYS 59 -17.922 5.561 -4.279 481 HZ2 LYS 59 HZ2 LYS 59 -16.266 5.616 -3.947 482 HZ3 LYS 59 HZ3 LYS 59 -17.038 4.117 -4.165 483 H HIS 60 HN HIS 60 -13.523 2.452 -6.040 484 HA HIS 60 HA HIS 60 -15.661 0.874 -5.069 485 HB2 HIS 60 HB2 HIS 60 -15.378 1.423 -7.454 486 HB3 HIS 60 HB1 HIS 60 -13.922 0.436 -7.505 487 HD1 HIS 60 HD1 HIS 60 -17.665 0.142 -7.167 488 HD2 HIS 60 HD2 HIS 60 -14.351 -2.280 -7.855 489 HE1 HIS 60 HE1 HIS 60 -18.586 -2.116 -7.804 490 HE2 HIS 60 HE2 HIS 60 -16.566 -3.526 -8.348 491 H LYS 61 HN LYS 61 -12.212 0.259 -5.518 492 HA LYS 61 HA LYS 61 -12.226 -2.484 -4.901 493 HB2 LYS 61 HB2 LYS 61 -10.016 -0.516 -4.308 494 HB3 LYS 61 HB1 LYS 61 -9.849 -2.257 -4.453 495 HG2 LYS 61 HG2 LYS 61 -10.695 -0.430 -6.692 496 HG3 LYS 61 HG1 LYS 61 -9.047 -0.998 -6.425 497 HD2 LYS 61 HD2 LYS 61 -9.745 -3.291 -6.767 498 HD3 LYS 61 HD1 LYS 61 -11.431 -2.786 -6.911 499 HE2 LYS 61 HE2 LYS 61 -10.882 -1.492 -8.906 500 HE3 LYS 61 HE1 LYS 61 -9.189 -1.953 -8.753 501 HZ1 LYS 61 HZ1 LYS 61 -10.567 -3.251 -10.393 502 HZ2 LYS 61 HZ2 LYS 61 -11.348 -3.958 -9.065 503 HZ3 LYS 61 HZ3 LYS 61 -9.678 -4.169 -9.283 504 H ARG 62 HN ARG 62 -11.871 0.359 -2.813 505 HA ARG 62 HA ARG 62 -11.451 -0.993 -0.394 506 HB2 ARG 62 HB2 ARG 62 -12.795 1.661 -0.910 507 HB3 ARG 62 HB1 ARG 62 -12.339 1.075 0.683 508 HG2 ARG 62 HG2 ARG 62 -9.989 1.008 -0.042 509 HG3 ARG 62 HG1 ARG 62 -10.476 1.669 -1.603 510 HD2 ARG 62 HD2 ARG 62 -10.901 3.012 1.062 511 HD3 ARG 62 HD1 ARG 62 -9.601 3.386 -0.066 512 HE ARG 62 HE ARG 62 -11.333 4.111 -1.636 513 HH11 ARG 62 HH11 ARG 62 -12.173 3.838 1.747 514 HH12 ARG 62 HH12 ARG 62 -13.475 4.993 1.654 515 HH21 ARG 62 HH21 ARG 62 -13.034 5.680 -1.757 516 HH22 ARG 62 HH22 ARG 62 -13.969 6.025 -0.333 517 H GLU 63 HN GLU 63 -14.433 0.086 -1.951 518 HA GLU 63 HA GLU 63 -16.231 -0.754 0.024 519 HB2 GLU 63 HB2 GLU 63 -16.584 -0.509 -2.967 520 HB3 GLU 63 HB1 GLU 63 -17.905 -0.746 -1.832 521 HG2 GLU 63 HG2 GLU 63 -17.456 1.376 -0.789 522 HG3 GLU 63 HG1 GLU 63 -16.017 1.598 -1.782 523 H ILE 64 HN ILE 64 -14.825 -2.452 -2.731 524 HA ILE 64 HA ILE 64 -16.333 -4.825 -2.478 525 HB ILE 64 HB ILE 64 -13.612 -4.335 -3.694 526 HG12 ILE 64 HG12 ILE 64 -15.442 -3.202 -4.829 527 HG13 ILE 64 HG11 ILE 64 -14.851 -4.528 -5.822 528 HG21 ILE 64 HG21 ILE 64 -15.308 -6.828 -3.835 529 HG22 ILE 64 HG22 ILE 64 -13.743 -6.665 -3.038 530 HG23 ILE 64 HG23 ILE 64 -13.857 -6.520 -4.790 531 HD11 ILE 64 HD11 ILE 64 -17.269 -4.402 -5.874 532 HD12 ILE 64 HD12 ILE 64 -17.328 -4.572 -4.119 533 HD13 ILE 64 HD13 ILE 64 -16.735 -5.902 -5.115 534 H TYR 65 HN TYR 65 -13.167 -3.881 -1.163 535 HA TYR 65 HA TYR 65 -12.556 -6.334 0.062 536 HB2 TYR 65 HB2 TYR 65 -10.912 -4.527 -0.265 537 HB3 TYR 65 HB1 TYR 65 -11.748 -3.552 0.938 538 HD1 TYR 65 HD2 TYR 65 -9.755 -6.628 0.436 539 HD2 TYR 65 HD1 TYR 65 -11.351 -3.875 3.265 540 HE1 TYR 65 HE2 TYR 65 -8.372 -7.642 2.198 541 HE2 TYR 65 HE1 TYR 65 -9.968 -4.882 5.030 542 HH TYR 65 HH TYR 65 -8.873 -7.124 5.462 543 H ASP 66 HN ASP 66 -14.418 -3.564 1.150 544 HA ASP 66 HA ASP 66 -14.692 -4.296 3.858 545 HB2 ASP 66 HB2 ASP 66 -15.129 -2.038 3.078 546 HB3 ASP 66 HB1 ASP 66 -16.448 -2.605 2.070 547 H ARG 67 HN ARG 67 -16.808 -4.840 1.046 548 HA ARG 67 HA ARG 67 -18.751 -6.244 2.638 549 HB2 ARG 67 HB2 ARG 67 -19.913 -6.576 0.501 550 HB3 ARG 67 HB1 ARG 67 -19.464 -4.898 0.767 551 HG2 ARG 67 HG2 ARG 67 -17.365 -5.513 -0.633 552 HG3 ARG 67 HG1 ARG 67 -18.363 -6.864 -1.181 553 HD2 ARG 67 HD2 ARG 67 -19.104 -3.958 -1.302 554 HD3 ARG 67 HD1 ARG 67 -18.544 -4.925 -2.669 555 HE ARG 67 HE ARG 67 -20.711 -6.276 -1.633 556 HH11 ARG 67 HH11 ARG 67 -20.173 -3.080 -3.008 557 HH12 ARG 67 HH12 ARG 67 -21.781 -2.968 -3.656 558 HH21 ARG 67 HH21 ARG 67 -22.789 -6.120 -2.487 559 HH22 ARG 67 HH22 ARG 67 -23.275 -4.694 -3.352 560 H TYR 68 HN TYR 68 -16.013 -7.220 0.690 561 HA TYR 68 HA TYR 68 -17.040 -9.954 0.513 562 HB2 TYR 68 HB2 TYR 68 -15.984 -8.826 -1.472 563 HB3 TYR 68 HB1 TYR 68 -14.450 -8.860 -0.609 564 HD1 TYR 68 HD1 TYR 68 -17.111 -11.017 -2.035 565 HD2 TYR 68 HD2 TYR 68 -13.101 -10.805 -0.626 566 HE1 TYR 68 HE1 TYR 68 -16.695 -13.284 -2.891 567 HE2 TYR 68 HE2 TYR 68 -12.674 -13.068 -1.481 568 HH TYR 68 HH TYR 68 -14.168 -15.156 -1.964 569 H GLY 69 HN GLY 69 -15.195 -8.124 2.600 570 HA2 GLY 69 HA2 GLY 69 -13.123 -9.733 3.459 571 HA3 GLY 69 HA1 GLY 69 -14.068 -8.684 4.505 572 H ARG 70 HN ARG 70 -16.453 -9.777 4.594 573 HA ARG 70 HA ARG 70 -16.110 -11.906 6.418 574 HB2 ARG 70 HB2 ARG 70 -18.627 -10.866 5.118 575 HB3 ARG 70 HB1 ARG 70 -18.582 -11.973 6.483 576 HG2 ARG 70 HG2 ARG 70 -17.499 -9.165 6.450 577 HG3 ARG 70 HG1 ARG 70 -19.001 -9.695 7.212 578 HD2 ARG 70 HD2 ARG 70 -17.790 -11.082 8.757 579 HD3 ARG 70 HD1 ARG 70 -16.271 -10.757 7.926 580 HE ARG 70 HE ARG 70 -17.558 -8.373 8.880 581 HH11 ARG 70 HH11 ARG 70 -15.497 -11.066 9.813 582 HH12 ARG 70 HH12 ARG 70 -14.701 -10.170 11.078 583 HH21 ARG 70 HH21 ARG 70 -16.532 -7.213 10.558 584 HH22 ARG 70 HH22 ARG 70 -15.306 -7.993 11.513 585 H GLU 71 HN GLU 71 -16.791 -11.860 2.998 586 HA GLU 71 HA GLU 71 -17.705 -14.596 2.929 587 HB2 GLU 71 HB2 GLU 71 -17.040 -12.615 0.751 588 HB3 GLU 71 HB1 GLU 71 -17.549 -14.266 0.425 589 HG2 GLU 71 HG2 GLU 71 -19.162 -12.253 1.974 590 HG3 GLU 71 HG1 GLU 71 -19.373 -12.607 0.262 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -14.237 -1.736 8.984 2 H2 MET 1 HT2 MET 1 -13.498 -2.928 8.036 3 H3 MET 1 HT3 MET 1 -13.889 -1.428 7.348 4 HA MET 1 HA MET 1 -12.315 -0.318 8.777 5 HB2 MET 1 HB2 MET 1 -10.793 -1.582 10.183 6 HB3 MET 1 HB1 MET 1 -12.449 -1.932 10.654 7 HG2 MET 1 HG2 MET 1 -12.356 -4.050 9.456 8 HG3 MET 1 HG1 MET 1 -10.711 -3.693 8.936 9 HE1 MET 1 HE1 MET 1 -9.603 -2.277 11.584 10 HE2 MET 1 HE2 MET 1 -8.639 -3.455 10.695 11 HE3 MET 1 HE3 MET 1 -8.857 -3.627 12.438 12 H ALA 2 HN ALA 2 -10.457 0.227 7.743 13 HA ALA 2 HA ALA 2 -9.691 -1.553 5.527 14 HB1 ALA 2 HB1 ALA 2 -8.981 0.417 4.318 15 HB2 ALA 2 HB2 ALA 2 -9.357 1.436 5.708 16 HB3 ALA 2 HB3 ALA 2 -10.653 0.602 4.851 17 H SER 3 HN SER 3 -8.443 0.334 8.214 18 HA SER 3 HA SER 3 -6.378 0.642 9.082 19 HB2 SER 3 HB2 SER 3 -5.944 -2.041 7.758 20 HB3 SER 3 HB1 SER 3 -4.755 -1.276 8.814 21 HG SER 3 HG SER 3 -6.246 -1.336 10.492 22 H TYR 4 HN TYR 4 -7.007 1.790 6.547 23 HA TYR 4 HA TYR 4 -4.924 1.348 4.669 24 HB2 TYR 4 HB2 TYR 4 -6.533 2.231 3.394 25 HB3 TYR 4 HB1 TYR 4 -7.415 2.748 4.820 26 HD1 TYR 4 HD2 TYR 4 -4.638 3.840 2.566 27 HD2 TYR 4 HD1 TYR 4 -7.785 4.977 5.191 28 HE1 TYR 4 HE2 TYR 4 -4.323 6.191 1.920 29 HE2 TYR 4 HE1 TYR 4 -7.484 7.325 4.547 30 HH TYR 4 HH TYR 4 -5.474 8.251 1.894 31 H TYR 5 HN TYR 5 -5.518 3.852 7.095 32 HA TYR 5 HA TYR 5 -3.253 5.406 6.560 33 HB2 TYR 5 HB2 TYR 5 -3.477 6.285 8.812 34 HB3 TYR 5 HB1 TYR 5 -5.071 6.099 8.099 35 HD1 TYR 5 HD2 TYR 5 -6.411 3.989 8.759 36 HD2 TYR 5 HD1 TYR 5 -2.995 5.364 10.893 37 HE1 TYR 5 HE2 TYR 5 -7.121 2.690 10.724 38 HE2 TYR 5 HE1 TYR 5 -3.697 4.071 12.863 39 HH TYR 5 HH TYR 5 -6.073 1.667 12.723 40 H GLU 6 HN GLU 6 -3.629 2.378 8.247 41 HA GLU 6 HA GLU 6 -1.012 2.346 9.410 42 HB2 GLU 6 HB2 GLU 6 -2.602 -0.140 8.902 43 HB3 GLU 6 HB1 GLU 6 -1.553 0.250 10.258 44 HG2 GLU 6 HG2 GLU 6 -3.294 2.010 10.865 45 HG3 GLU 6 HG1 GLU 6 -4.340 1.191 9.718 46 H ILE 7 HN ILE 7 -2.495 0.969 6.505 47 HA ILE 7 HA ILE 7 -0.378 -0.851 6.012 48 HB ILE 7 HB ILE 7 -1.472 -1.167 3.779 49 HG12 ILE 7 HG12 ILE 7 -3.693 0.503 4.891 50 HG13 ILE 7 HG11 ILE 7 -2.419 1.246 3.941 51 HG21 ILE 7 HG21 ILE 7 -3.264 -2.424 4.668 52 HG22 ILE 7 HG22 ILE 7 -3.424 -1.344 6.053 53 HG23 ILE 7 HG23 ILE 7 -2.021 -2.413 5.925 54 HD11 ILE 7 HD11 ILE 7 -2.972 -0.402 2.129 55 HD12 ILE 7 HD12 ILE 7 -4.204 0.796 2.492 56 HD13 ILE 7 HD13 ILE 7 -4.386 -0.851 3.085 57 H LEU 8 HN LEU 8 -1.144 2.353 4.696 58 HA LEU 8 HA LEU 8 1.130 2.107 2.865 59 HB2 LEU 8 HB2 LEU 8 -0.639 4.527 3.141 60 HB3 LEU 8 HB1 LEU 8 0.345 4.050 1.773 61 HG LEU 8 HG LEU 8 -2.132 2.648 2.723 62 HD11 LEU 8 HD11 LEU 8 -3.141 3.515 0.670 63 HD12 LEU 8 HD12 LEU 8 -1.656 4.398 0.319 64 HD13 LEU 8 HD13 LEU 8 -2.615 4.817 1.737 65 HD21 LEU 8 HD21 LEU 8 -0.402 2.167 0.295 66 HD22 LEU 8 HD22 LEU 8 -1.935 1.368 0.633 67 HD23 LEU 8 HD23 LEU 8 -0.550 1.103 1.693 68 H ASP 9 HN ASP 9 -0.041 4.793 4.824 69 HA ASP 9 HA ASP 9 2.068 5.214 6.531 70 HB2 ASP 9 HB2 ASP 9 3.539 5.321 4.553 71 HB3 ASP 9 HB1 ASP 9 2.563 6.629 3.893 72 H VAL 10 HN VAL 10 -0.469 6.440 4.567 73 HA VAL 10 HA VAL 10 -0.519 8.952 6.104 74 HB VAL 10 HB VAL 10 -1.572 10.005 4.131 75 HG11 VAL 10 HG11 VAL 10 0.442 10.074 2.720 76 HG12 VAL 10 HG12 VAL 10 1.079 8.674 3.583 77 HG13 VAL 10 HG13 VAL 10 0.830 10.198 4.436 78 HG21 VAL 10 HG21 VAL 10 -0.951 7.396 2.745 79 HG22 VAL 10 HG22 VAL 10 -1.574 8.858 1.978 80 HG23 VAL 10 HG23 VAL 10 -2.564 7.987 3.149 81 HA PRO 11 HA PRO 11 -4.650 7.852 7.224 82 HB2 PRO 11 HB2 PRO 11 -5.355 10.114 8.434 83 HB3 PRO 11 HB1 PRO 11 -3.996 9.159 9.040 84 HG2 PRO 11 HG2 PRO 11 -3.983 11.681 7.450 85 HG3 PRO 11 HG1 PRO 11 -2.892 11.167 8.749 86 HD2 PRO 11 HD2 PRO 11 -2.408 10.968 5.988 87 HD3 PRO 11 HD1 PRO 11 -1.486 10.169 7.275 88 H ARG 12 HN ARG 12 -6.886 9.098 7.356 89 HA ARG 12 HA ARG 12 -7.863 8.770 4.754 90 HB2 ARG 12 HB2 ARG 12 -9.294 10.092 7.054 91 HB3 ARG 12 HB1 ARG 12 -10.028 9.298 5.668 92 HG2 ARG 12 HG2 ARG 12 -9.291 7.157 6.411 93 HG3 ARG 12 HG1 ARG 12 -8.298 7.889 7.679 94 HD2 ARG 12 HD2 ARG 12 -11.311 7.950 7.489 95 HD3 ARG 12 HD1 ARG 12 -10.350 7.015 8.635 96 HE ARG 12 HE ARG 12 -9.531 9.304 9.408 97 HH11 ARG 12 HH11 ARG 12 -12.738 8.663 8.177 98 HH12 ARG 12 HH12 ARG 12 -13.461 10.043 8.949 99 HH21 ARG 12 HH21 ARG 12 -10.465 11.121 10.456 100 HH22 ARG 12 HH22 ARG 12 -12.164 11.446 10.251 101 H SER 13 HN SER 13 -6.596 11.592 6.181 102 HA SER 13 HA SER 13 -8.211 13.434 4.660 103 HB2 SER 13 HB2 SER 13 -6.371 15.064 5.576 104 HB3 SER 13 HB1 SER 13 -7.583 14.389 6.663 105 HG SER 13 HG SER 13 -4.858 13.974 6.567 106 H ALA 14 HN ALA 14 -5.622 11.485 3.879 107 HA ALA 14 HA ALA 14 -4.283 13.288 2.091 108 HB1 ALA 14 HB1 ALA 14 -3.038 11.533 3.179 109 HB2 ALA 14 HB2 ALA 14 -3.044 11.261 1.441 110 HB3 ALA 14 HB3 ALA 14 -4.094 10.308 2.479 111 H SER 15 HN SER 15 -4.620 13.553 -0.028 112 HA SER 15 HA SER 15 -6.988 12.427 -1.232 113 HB2 SER 15 HB2 SER 15 -6.246 14.817 -1.558 114 HB3 SER 15 HB1 SER 15 -4.905 14.202 -2.524 115 HG SER 15 HG SER 15 -6.221 14.020 -4.141 116 H ALA 16 HN ALA 16 -6.813 11.627 -3.545 117 HA ALA 16 HA ALA 16 -5.699 9.102 -3.427 118 HB1 ALA 16 HB1 ALA 16 -6.395 10.638 -5.922 119 HB2 ALA 16 HB2 ALA 16 -7.521 9.710 -4.931 120 HB3 ALA 16 HB3 ALA 16 -6.219 8.888 -5.790 121 H ASP 17 HN ASP 17 -4.358 11.974 -5.047 122 HA ASP 17 HA ASP 17 -2.129 10.636 -6.161 123 HB2 ASP 17 HB2 ASP 17 -2.928 13.462 -5.794 124 HB3 ASP 17 HB1 ASP 17 -1.202 13.162 -5.984 125 H ASP 18 HN ASP 18 -2.667 12.113 -3.035 126 HA ASP 18 HA ASP 18 0.049 12.113 -2.205 127 HB2 ASP 18 HB2 ASP 18 -1.915 13.376 -1.133 128 HB3 ASP 18 HB1 ASP 18 -2.303 11.851 -0.340 129 H ILE 19 HN ILE 19 -2.622 9.808 -1.847 130 HA ILE 19 HA ILE 19 -1.237 7.797 -0.458 131 HB ILE 19 HB ILE 19 -3.596 7.763 -2.304 132 HG12 ILE 19 HG12 ILE 19 -4.546 6.660 -0.159 133 HG13 ILE 19 HG11 ILE 19 -3.096 7.301 0.606 134 HG21 ILE 19 HG21 ILE 19 -2.359 5.707 -2.827 135 HG22 ILE 19 HG22 ILE 19 -3.896 5.385 -2.025 136 HG23 ILE 19 HG23 ILE 19 -2.390 5.274 -1.115 137 HD11 ILE 19 HD11 ILE 19 -5.389 8.748 -0.609 138 HD12 ILE 19 HD12 ILE 19 -3.806 9.510 -0.500 139 HD13 ILE 19 HD13 ILE 19 -4.626 8.968 0.969 140 H LYS 20 HN LYS 20 -1.537 8.481 -3.900 141 HA LYS 20 HA LYS 20 -0.098 6.366 -4.979 142 HB2 LYS 20 HB2 LYS 20 -1.343 8.009 -6.308 143 HB3 LYS 20 HB1 LYS 20 -0.193 9.257 -5.860 144 HG2 LYS 20 HG2 LYS 20 1.576 7.928 -7.023 145 HG3 LYS 20 HG1 LYS 20 0.295 6.859 -7.605 146 HD2 LYS 20 HD2 LYS 20 0.486 9.829 -8.102 147 HD3 LYS 20 HD1 LYS 20 0.855 8.558 -9.269 148 HE2 LYS 20 HE2 LYS 20 -1.421 7.830 -9.296 149 HE3 LYS 20 HE1 LYS 20 -1.833 8.898 -7.954 150 HZ1 LYS 20 HZ1 LYS 20 -1.523 10.797 -9.315 151 HZ2 LYS 20 HZ2 LYS 20 -2.499 9.719 -10.197 152 HZ3 LYS 20 HZ3 LYS 20 -0.854 9.878 -10.574 153 H LYS 21 HN LYS 21 1.037 9.470 -3.712 154 HA LYS 21 HA LYS 21 3.786 8.977 -4.219 155 HB2 LYS 21 HB2 LYS 21 2.426 10.891 -2.323 156 HB3 LYS 21 HB1 LYS 21 4.163 10.848 -2.584 157 HG2 LYS 21 HG2 LYS 21 2.040 11.512 -4.607 158 HG3 LYS 21 HG1 LYS 21 3.224 12.609 -3.898 159 HD2 LYS 21 HD2 LYS 21 3.752 10.313 -5.781 160 HD3 LYS 21 HD1 LYS 21 3.955 12.033 -6.109 161 HE2 LYS 21 HE2 LYS 21 5.551 10.335 -4.199 162 HE3 LYS 21 HE1 LYS 21 6.106 11.027 -5.722 163 HZ1 LYS 21 HZ1 LYS 21 5.801 13.247 -4.785 164 HZ2 LYS 21 HZ2 LYS 21 6.891 12.330 -3.861 165 HZ3 LYS 21 HZ3 LYS 21 5.309 12.572 -3.305 166 H ALA 22 HN ALA 22 1.676 8.360 -1.467 167 HA ALA 22 HA ALA 22 3.638 7.639 0.403 168 HB1 ALA 22 HB1 ALA 22 0.856 6.500 0.139 169 HB2 ALA 22 HB2 ALA 22 1.264 8.004 0.963 170 HB3 ALA 22 HB3 ALA 22 1.872 6.468 1.580 171 H TYR 23 HN TYR 23 1.917 5.716 -2.019 172 HA TYR 23 HA TYR 23 3.172 3.260 -1.478 173 HB2 TYR 23 HB2 TYR 23 1.336 2.971 -2.811 174 HB3 TYR 23 HB1 TYR 23 1.634 4.440 -3.736 175 HD1 TYR 23 HD2 TYR 23 2.828 0.933 -3.296 176 HD2 TYR 23 HD1 TYR 23 2.580 4.309 -5.872 177 HE1 TYR 23 HE2 TYR 23 3.691 -0.427 -5.150 178 HE2 TYR 23 HE1 TYR 23 3.437 2.955 -7.736 179 HH TYR 23 HH TYR 23 3.741 -0.473 -7.528 180 H ARG 24 HN ARG 24 4.052 5.917 -3.648 181 HA ARG 24 HA ARG 24 6.274 4.588 -4.798 182 HB2 ARG 24 HB2 ARG 24 5.434 7.482 -4.686 183 HB3 ARG 24 HB1 ARG 24 6.962 6.994 -5.413 184 HG2 ARG 24 HG2 ARG 24 5.861 5.716 -7.076 185 HG3 ARG 24 HG1 ARG 24 4.306 5.868 -6.250 186 HD2 ARG 24 HD2 ARG 24 4.452 7.392 -8.155 187 HD3 ARG 24 HD1 ARG 24 4.323 8.257 -6.621 188 HE ARG 24 HE ARG 24 7.035 8.000 -7.231 189 HH11 ARG 24 HH11 ARG 24 4.216 9.535 -8.627 190 HH12 ARG 24 HH12 ARG 24 5.085 10.941 -9.169 191 HH21 ARG 24 HH21 ARG 24 8.192 9.846 -7.938 192 HH22 ARG 24 HH22 ARG 24 7.345 11.116 -8.774 193 H ARG 25 HN ARG 25 6.044 6.899 -2.080 194 HA ARG 25 HA ARG 25 8.850 7.092 -1.729 195 HB2 ARG 25 HB2 ARG 25 8.387 8.117 0.416 196 HB3 ARG 25 HB1 ARG 25 7.279 8.749 -0.791 197 HG2 ARG 25 HG2 ARG 25 5.457 7.610 0.108 198 HG3 ARG 25 HG1 ARG 25 6.482 6.490 1.007 199 HD2 ARG 25 HD2 ARG 25 6.150 9.439 1.558 200 HD3 ARG 25 HD1 ARG 25 5.462 8.118 2.505 201 HE ARG 25 HE ARG 25 8.299 7.894 2.273 202 HH11 ARG 25 HH11 ARG 25 5.765 9.569 4.041 203 HH12 ARG 25 HH12 ARG 25 6.767 9.853 5.435 204 HH21 ARG 25 HH21 ARG 25 9.587 8.252 4.071 205 HH22 ARG 25 HH22 ARG 25 8.968 9.126 5.439 206 H LYS 26 HN LYS 26 6.429 4.896 -0.510 207 HA LYS 26 HA LYS 26 8.082 3.532 1.360 208 HB2 LYS 26 HB2 LYS 26 5.586 3.501 1.314 209 HB3 LYS 26 HB1 LYS 26 5.659 2.557 -0.165 210 HG2 LYS 26 HG2 LYS 26 6.859 0.790 1.095 211 HG3 LYS 26 HG1 LYS 26 6.579 1.721 2.572 212 HD2 LYS 26 HD2 LYS 26 4.111 1.710 1.816 213 HD3 LYS 26 HD1 LYS 26 4.598 0.373 0.781 214 HE2 LYS 26 HE2 LYS 26 3.717 -0.514 2.833 215 HE3 LYS 26 HE1 LYS 26 5.453 -0.813 2.768 216 HZ1 LYS 26 HZ1 LYS 26 5.862 0.899 4.317 217 HZ2 LYS 26 HZ2 LYS 26 4.569 0.003 4.950 218 HZ3 LYS 26 HZ3 LYS 26 4.280 1.498 4.209 219 H ALA 27 HN ALA 27 7.116 2.952 -1.980 220 HA ALA 27 HA ALA 27 8.547 0.638 -2.524 221 HB1 ALA 27 HB1 ALA 27 8.214 2.872 -4.505 222 HB2 ALA 27 HB2 ALA 27 6.866 1.862 -3.993 223 HB3 ALA 27 HB3 ALA 27 8.253 1.134 -4.809 224 H LEU 28 HN LEU 28 9.591 4.020 -2.853 225 HA LEU 28 HA LEU 28 12.145 3.478 -3.898 226 HB2 LEU 28 HB2 LEU 28 10.792 5.807 -2.676 227 HB3 LEU 28 HB1 LEU 28 12.543 5.835 -2.651 228 HG LEU 28 HG LEU 28 12.641 5.708 -5.061 229 HD11 LEU 28 HD11 LEU 28 10.574 5.776 -6.416 230 HD12 LEU 28 HD12 LEU 28 9.640 5.475 -4.949 231 HD13 LEU 28 HD13 LEU 28 10.779 4.263 -5.534 232 HD21 LEU 28 HD21 LEU 28 12.369 7.913 -4.066 233 HD22 LEU 28 HD22 LEU 28 10.615 7.749 -4.161 234 HD23 LEU 28 HD23 LEU 28 11.576 7.824 -5.639 235 H GLN 29 HN GLN 29 10.981 3.768 -0.593 236 HA GLN 29 HA GLN 29 13.467 3.822 0.716 237 HB2 GLN 29 HB2 GLN 29 11.330 4.405 1.789 238 HB3 GLN 29 HB1 GLN 29 10.815 2.730 1.679 239 HG2 GLN 29 HG2 GLN 29 11.541 3.246 3.919 240 HG3 GLN 29 HG1 GLN 29 12.628 2.075 3.179 241 HE21 GLN 29 HE21 GLN 29 12.266 5.356 4.294 242 HE22 GLN 29 HE22 GLN 29 13.958 5.744 4.293 243 H TRP 30 HN TRP 30 11.605 1.189 -0.637 244 HA TRP 30 HA TRP 30 13.523 -0.708 0.522 245 HB2 TRP 30 HB2 TRP 30 10.764 -1.249 -0.591 246 HB3 TRP 30 HB1 TRP 30 11.848 -2.456 0.105 247 HD1 TRP 30 HD1 TRP 30 8.960 -0.540 1.084 248 HE1 TRP 30 HE1 TRP 30 8.818 -0.217 3.639 249 HE3 TRP 30 HE3 TRP 30 13.736 -1.870 2.324 250 HZ2 TRP 30 HZ2 TRP 30 10.521 -0.499 5.878 251 HZ3 TRP 30 HZ3 TRP 30 14.402 -1.814 4.692 252 HH2 TRP 30 HH2 TRP 30 12.825 -1.142 6.433 253 H HIS 31 HN HIS 31 13.551 1.018 -2.050 254 HA HIS 31 HA HIS 31 14.073 -1.034 -4.029 255 HB2 HIS 31 HB2 HIS 31 14.311 1.964 -3.985 256 HB3 HIS 31 HB1 HIS 31 15.121 1.039 -5.245 257 HD1 HIS 31 HD1 HIS 31 12.968 2.948 -6.124 258 HD2 HIS 31 HD2 HIS 31 12.208 -1.010 -5.090 259 HE1 HIS 31 HE1 HIS 31 10.809 2.342 -7.272 260 HE2 HIS 31 HE2 HIS 31 10.517 -0.125 -6.833 261 HA PRO 32 HA PRO 32 18.174 -2.146 -3.031 262 HB2 PRO 32 HB2 PRO 32 19.443 -1.872 -5.481 263 HB3 PRO 32 HB1 PRO 32 18.499 -3.275 -4.972 264 HG2 PRO 32 HG2 PRO 32 17.676 -0.945 -6.652 265 HG3 PRO 32 HG1 PRO 32 17.299 -2.663 -6.858 266 HD2 PRO 32 HD2 PRO 32 15.489 -0.996 -5.854 267 HD3 PRO 32 HD1 PRO 32 15.674 -2.631 -5.183 268 H ASP 33 HN ASP 33 17.766 0.841 -4.788 269 HA ASP 33 HA ASP 33 20.284 1.991 -4.350 270 HB2 ASP 33 HB2 ASP 33 18.707 2.926 -5.935 271 HB3 ASP 33 HB1 ASP 33 17.560 3.265 -4.645 272 H LYS 34 HN LYS 34 17.450 1.749 -2.280 273 HA LYS 34 HA LYS 34 18.799 3.369 -0.227 274 HB2 LYS 34 HB2 LYS 34 16.205 3.492 -1.211 275 HB3 LYS 34 HB1 LYS 34 16.029 2.656 0.327 276 HG2 LYS 34 HG2 LYS 34 15.742 5.001 0.689 277 HG3 LYS 34 HG1 LYS 34 17.272 4.506 1.414 278 HD2 LYS 34 HD2 LYS 34 17.725 6.534 0.289 279 HD3 LYS 34 HD1 LYS 34 18.378 5.256 -0.740 280 HE2 LYS 34 HE2 LYS 34 16.278 5.340 -2.070 281 HE3 LYS 34 HE1 LYS 34 15.770 6.725 -1.104 282 HZ1 LYS 34 HZ1 LYS 34 16.731 7.605 -3.040 283 HZ2 LYS 34 HZ2 LYS 34 18.053 6.544 -2.982 284 HZ3 LYS 34 HZ3 LYS 34 17.918 7.795 -1.842 285 H ASN 35 HN ASN 35 17.377 0.254 -0.886 286 HA ASN 35 HA ASN 35 17.993 -0.669 1.835 287 HB2 ASN 35 HB2 ASN 35 15.721 -1.137 1.232 288 HB3 ASN 35 HB1 ASN 35 16.196 -1.765 -0.340 289 HD21 ASN 35 HD21 ASN 35 16.958 -3.829 -0.511 290 HD22 ASN 35 HD22 ASN 35 16.824 -4.985 0.771 291 HA PRO 36 HA PRO 36 21.668 -2.354 0.264 292 HB2 PRO 36 HB2 PRO 36 22.338 -4.103 2.199 293 HB3 PRO 36 HB1 PRO 36 22.331 -2.353 2.465 294 HG2 PRO 36 HG2 PRO 36 20.218 -4.377 3.132 295 HG3 PRO 36 HG1 PRO 36 20.892 -3.097 4.165 296 HD2 PRO 36 HD2 PRO 36 18.547 -2.786 2.880 297 HD3 PRO 36 HD1 PRO 36 19.668 -1.429 3.115 298 H ASP 37 HN ASP 37 21.682 -5.370 1.657 299 HA ASP 37 HA ASP 37 21.643 -6.449 -1.060 300 HB2 ASP 37 HB2 ASP 37 23.682 -6.661 0.324 301 HB3 ASP 37 HB1 ASP 37 22.778 -7.655 1.454 302 H ASN 38 HN ASN 38 19.583 -6.414 1.568 303 HA ASN 38 HA ASN 38 18.576 -9.115 1.077 304 HB2 ASN 38 HB2 ASN 38 18.812 -8.222 3.421 305 HB3 ASN 38 HB1 ASN 38 17.539 -7.066 3.048 306 HD21 ASN 38 HD21 ASN 38 17.666 -9.209 5.028 307 HD22 ASN 38 HD22 ASN 38 16.294 -10.222 4.713 308 H LYS 39 HN LYS 39 17.418 -9.211 -0.728 309 HA LYS 39 HA LYS 39 15.816 -6.906 -1.535 310 HB2 LYS 39 HB2 LYS 39 16.448 -9.425 -3.081 311 HB3 LYS 39 HB1 LYS 39 15.715 -7.963 -3.723 312 HG2 LYS 39 HG2 LYS 39 18.506 -8.157 -2.605 313 HG3 LYS 39 HG1 LYS 39 18.085 -8.182 -4.318 314 HD2 LYS 39 HD2 LYS 39 17.174 -5.943 -4.162 315 HD3 LYS 39 HD1 LYS 39 17.465 -5.919 -2.422 316 HE2 LYS 39 HE2 LYS 39 19.194 -4.675 -3.576 317 HE3 LYS 39 HE1 LYS 39 19.876 -6.120 -2.835 318 HZ1 LYS 39 HZ1 LYS 39 19.714 -7.209 -5.039 319 HZ2 LYS 39 HZ2 LYS 39 20.770 -5.882 -5.013 320 HZ3 LYS 39 HZ3 LYS 39 19.231 -5.727 -5.707 321 H GLU 40 HN GLU 40 15.500 -10.135 -0.351 322 HA GLU 40 HA GLU 40 13.004 -10.851 -1.391 323 HB2 GLU 40 HB2 GLU 40 14.552 -12.388 -0.217 324 HB3 GLU 40 HB1 GLU 40 14.164 -11.593 1.300 325 HG2 GLU 40 HG2 GLU 40 11.768 -12.248 0.901 326 HG3 GLU 40 HG1 GLU 40 12.348 -13.242 -0.435 327 H PHE 41 HN PHE 41 13.803 -9.234 1.667 328 HA PHE 41 HA PHE 41 11.072 -8.927 2.429 329 HB2 PHE 41 HB2 PHE 41 13.591 -7.627 3.462 330 HB3 PHE 41 HB1 PHE 41 11.996 -7.335 4.143 331 HD1 PHE 41 HD1 PHE 41 10.878 -10.091 3.952 332 HD2 PHE 41 HD2 PHE 41 14.683 -8.686 5.230 333 HE1 PHE 41 HE1 PHE 41 11.116 -12.065 5.397 334 HE2 PHE 41 HE2 PHE 41 14.933 -10.660 6.675 335 HZ PHE 41 HZ PHE 41 13.146 -12.355 6.759 336 H ALA 42 HN ALA 42 13.413 -6.900 0.772 337 HA ALA 42 HA ALA 42 11.999 -4.475 0.919 338 HB1 ALA 42 HB1 ALA 42 14.065 -5.500 -1.009 339 HB2 ALA 42 HB2 ALA 42 14.282 -4.371 0.331 340 HB3 ALA 42 HB3 ALA 42 13.395 -3.872 -1.108 341 H GLU 43 HN GLU 43 12.051 -6.997 -1.603 342 HA GLU 43 HA GLU 43 10.140 -5.657 -3.228 343 HB2 GLU 43 HB2 GLU 43 9.993 -7.706 -4.519 344 HB3 GLU 43 HB1 GLU 43 11.672 -7.306 -4.190 345 HG2 GLU 43 HG2 GLU 43 11.983 -9.110 -2.842 346 HG3 GLU 43 HG1 GLU 43 10.293 -9.165 -2.341 347 H LYS 44 HN LYS 44 9.934 -8.076 -0.680 348 HA LYS 44 HA LYS 44 7.239 -8.753 -0.955 349 HB2 LYS 44 HB2 LYS 44 9.237 -8.880 1.207 350 HB3 LYS 44 HB1 LYS 44 7.565 -8.836 1.742 351 HG2 LYS 44 HG2 LYS 44 8.763 -10.833 -0.166 352 HG3 LYS 44 HG1 LYS 44 8.347 -11.119 1.525 353 HD2 LYS 44 HD2 LYS 44 6.439 -10.458 -0.721 354 HD3 LYS 44 HD1 LYS 44 6.605 -12.010 0.101 355 HE2 LYS 44 HE2 LYS 44 5.884 -10.961 2.203 356 HE3 LYS 44 HE1 LYS 44 5.700 -9.421 1.365 357 HZ1 LYS 44 HZ1 LYS 44 4.105 -10.704 -0.141 358 HZ2 LYS 44 HZ2 LYS 44 3.568 -10.294 1.412 359 HZ3 LYS 44 HZ3 LYS 44 4.083 -11.878 1.081 360 H LYS 45 HN LYS 45 8.756 -6.084 0.837 361 HA LYS 45 HA LYS 45 6.328 -5.095 1.928 362 HB2 LYS 45 HB2 LYS 45 8.957 -3.685 1.434 363 HB3 LYS 45 HB1 LYS 45 7.627 -3.032 2.385 364 HG2 LYS 45 HG2 LYS 45 9.321 -5.436 2.990 365 HG3 LYS 45 HG1 LYS 45 9.178 -3.944 3.919 366 HD2 LYS 45 HD2 LYS 45 6.833 -4.498 4.393 367 HD3 LYS 45 HD1 LYS 45 7.023 -5.989 3.481 368 HE2 LYS 45 HE2 LYS 45 7.194 -6.376 5.888 369 HE3 LYS 45 HE1 LYS 45 8.686 -6.776 5.045 370 HZ1 LYS 45 HZ1 LYS 45 8.173 -4.271 6.556 371 HZ2 LYS 45 HZ2 LYS 45 9.615 -4.662 5.751 372 HZ3 LYS 45 HZ3 LYS 45 9.118 -5.574 7.088 373 H PHE 46 HN PHE 46 8.123 -4.474 -1.015 374 HA PHE 46 HA PHE 46 6.519 -2.384 -2.016 375 HB2 PHE 46 HB2 PHE 46 8.685 -2.889 -3.004 376 HB3 PHE 46 HB1 PHE 46 8.125 -4.488 -3.487 377 HD1 PHE 46 HD1 PHE 46 7.522 -0.865 -4.015 378 HD2 PHE 46 HD2 PHE 46 7.114 -4.809 -5.561 379 HE1 PHE 46 HE1 PHE 46 6.769 0.060 -6.167 380 HE2 PHE 46 HE2 PHE 46 6.355 -3.891 -7.712 381 HZ PHE 46 HZ PHE 46 6.182 -1.456 -8.017 382 H LYS 47 HN LYS 47 6.278 -5.906 -2.276 383 HA LYS 47 HA LYS 47 3.990 -5.934 -3.940 384 HB2 LYS 47 HB2 LYS 47 5.159 -7.963 -2.048 385 HB3 LYS 47 HB1 LYS 47 3.684 -8.276 -2.949 386 HG2 LYS 47 HG2 LYS 47 4.920 -7.918 -5.052 387 HG3 LYS 47 HG1 LYS 47 6.397 -7.680 -4.114 388 HD2 LYS 47 HD2 LYS 47 6.354 -9.915 -3.315 389 HD3 LYS 47 HD1 LYS 47 4.719 -10.174 -3.923 390 HE2 LYS 47 HE2 LYS 47 6.261 -11.282 -5.385 391 HE3 LYS 47 HE1 LYS 47 5.592 -9.889 -6.231 392 HZ1 LYS 47 HZ1 LYS 47 8.259 -10.002 -4.915 393 HZ2 LYS 47 HZ2 LYS 47 7.620 -8.663 -5.747 394 HZ3 LYS 47 HZ3 LYS 47 7.970 -10.095 -6.582 395 H GLU 48 HN GLU 48 4.407 -5.786 -0.441 396 HA GLU 48 HA GLU 48 1.734 -6.272 0.296 397 HB2 GLU 48 HB2 GLU 48 3.819 -4.575 1.684 398 HB3 GLU 48 HB1 GLU 48 2.316 -5.111 2.412 399 HG2 GLU 48 HG2 GLU 48 4.464 -6.963 1.416 400 HG3 GLU 48 HG1 GLU 48 4.316 -6.414 3.082 401 H VAL 49 HN VAL 49 3.465 -3.236 -0.378 402 HA VAL 49 HA VAL 49 1.130 -1.650 0.024 403 HB VAL 49 HB VAL 49 3.191 -0.519 0.349 404 HG11 VAL 49 HG11 VAL 49 4.831 -0.137 -1.401 405 HG12 VAL 49 HG12 VAL 49 3.887 -1.151 -2.483 406 HG13 VAL 49 HG13 VAL 49 4.634 -1.856 -1.055 407 HG21 VAL 49 HG21 VAL 49 2.840 1.459 -0.835 408 HG22 VAL 49 HG22 VAL 49 1.254 0.686 -0.789 409 HG23 VAL 49 HG23 VAL 49 2.232 0.600 -2.248 410 H ALA 50 HN ALA 50 2.627 -3.153 -2.806 411 HA ALA 50 HA ALA 50 1.263 -1.752 -4.789 412 HB1 ALA 50 HB1 ALA 50 1.968 -4.678 -4.898 413 HB2 ALA 50 HB2 ALA 50 3.121 -3.370 -5.148 414 HB3 ALA 50 HB3 ALA 50 1.766 -3.574 -6.259 415 H GLU 51 HN GLU 51 0.260 -4.681 -3.037 416 HA GLU 51 HA GLU 51 -2.224 -4.899 -4.433 417 HB2 GLU 51 HB2 GLU 51 -2.784 -6.584 -2.716 418 HB3 GLU 51 HB1 GLU 51 -1.216 -6.865 -3.458 419 HG2 GLU 51 HG2 GLU 51 -0.157 -5.790 -1.485 420 HG3 GLU 51 HG1 GLU 51 -1.750 -5.689 -0.741 421 H ALA 52 HN ALA 52 -1.244 -3.572 -1.314 422 HA ALA 52 HA ALA 52 -3.885 -3.040 -0.408 423 HB1 ALA 52 HB1 ALA 52 -1.800 -3.387 0.969 424 HB2 ALA 52 HB2 ALA 52 -2.862 -2.062 1.468 425 HB3 ALA 52 HB3 ALA 52 -1.377 -1.717 0.578 426 H TYR 53 HN TYR 53 -1.455 -1.153 -2.093 427 HA TYR 53 HA TYR 53 -2.900 1.298 -2.024 428 HB2 TYR 53 HB2 TYR 53 -0.610 1.564 -2.396 429 HB3 TYR 53 HB1 TYR 53 -0.542 0.276 -3.585 430 HD1 TYR 53 HD2 TYR 53 -1.737 3.744 -3.021 431 HD2 TYR 53 HD1 TYR 53 -0.731 0.770 -5.889 432 HE1 TYR 53 HE2 TYR 53 -1.885 5.425 -4.808 433 HE2 TYR 53 HE1 TYR 53 -0.873 2.444 -7.684 434 HH TYR 53 HH TYR 53 -1.982 4.634 -8.088 435 H GLU 54 HN GLU 54 -2.782 -1.463 -4.185 436 HA GLU 54 HA GLU 54 -4.234 -0.407 -6.333 437 HB2 GLU 54 HB2 GLU 54 -3.177 -2.459 -6.714 438 HB3 GLU 54 HB1 GLU 54 -3.834 -3.178 -5.254 439 HG2 GLU 54 HG2 GLU 54 -4.803 -4.111 -7.301 440 HG3 GLU 54 HG1 GLU 54 -6.008 -3.359 -6.262 441 H VAL 55 HN VAL 55 -5.425 -2.184 -3.466 442 HA VAL 55 HA VAL 55 -8.144 -1.994 -4.211 443 HB VAL 55 HB VAL 55 -7.444 -3.670 -2.597 444 HG11 VAL 55 HG11 VAL 55 -6.887 -3.070 -0.280 445 HG12 VAL 55 HG12 VAL 55 -6.873 -1.367 -0.741 446 HG13 VAL 55 HG13 VAL 55 -5.691 -2.480 -1.434 447 HG21 VAL 55 HG21 VAL 55 -9.207 -3.383 -0.929 448 HG22 VAL 55 HG22 VAL 55 -9.764 -2.945 -2.545 449 HG23 VAL 55 HG23 VAL 55 -9.356 -1.686 -1.380 450 H LEU 56 HN LEU 56 -6.057 0.082 -2.265 451 HA LEU 56 HA LEU 56 -8.140 1.866 -1.468 452 HB2 LEU 56 HB2 LEU 56 -5.755 1.394 -0.472 453 HB3 LEU 56 HB1 LEU 56 -5.262 2.662 -1.574 454 HG LEU 56 HG LEU 56 -5.744 3.329 0.827 455 HD11 LEU 56 HD11 LEU 56 -7.252 4.758 -1.350 456 HD12 LEU 56 HD12 LEU 56 -5.548 4.975 -0.948 457 HD13 LEU 56 HD13 LEU 56 -6.794 5.439 0.211 458 HD21 LEU 56 HD21 LEU 56 -8.129 3.792 1.330 459 HD22 LEU 56 HD22 LEU 56 -7.727 2.076 1.251 460 HD23 LEU 56 HD23 LEU 56 -8.563 2.849 -0.097 461 H SER 57 HN SER 57 -6.405 1.434 -4.349 462 HA SER 57 HA SER 57 -6.332 4.172 -5.196 463 HB2 SER 57 HB2 SER 57 -4.625 2.578 -5.925 464 HB3 SER 57 HB1 SER 57 -5.855 1.585 -6.699 465 HG SER 57 HG SER 57 -5.238 2.731 -8.362 466 H ASP 58 HN ASP 58 -8.609 1.596 -5.354 467 HA ASP 58 HA ASP 58 -10.199 3.112 -7.323 468 HB2 ASP 58 HB2 ASP 58 -9.590 0.825 -8.064 469 HB3 ASP 58 HB1 ASP 58 -10.401 0.167 -6.646 470 H LYS 59 HN LYS 59 -12.027 4.002 -6.644 471 HA LYS 59 HA LYS 59 -12.532 4.105 -3.856 472 HB2 LYS 59 HB2 LYS 59 -13.988 5.823 -4.335 473 HB3 LYS 59 HB1 LYS 59 -12.992 5.814 -5.775 474 HG2 LYS 59 HG2 LYS 59 -15.593 4.349 -5.689 475 HG3 LYS 59 HG1 LYS 59 -15.499 6.064 -6.084 476 HD2 LYS 59 HD2 LYS 59 -13.938 5.525 -7.918 477 HD3 LYS 59 HD1 LYS 59 -14.117 3.811 -7.541 478 HE2 LYS 59 HE2 LYS 59 -16.505 3.948 -8.031 479 HE3 LYS 59 HE1 LYS 59 -16.341 5.667 -8.385 480 HZ1 LYS 59 HZ1 LYS 59 -16.355 4.388 -10.416 481 HZ2 LYS 59 HZ2 LYS 59 -15.054 3.441 -9.879 482 HZ3 LYS 59 HZ3 LYS 59 -14.826 5.091 -10.202 483 H HIS 60 HN HIS 60 -14.041 2.445 -6.509 484 HA HIS 60 HA HIS 60 -16.250 1.425 -5.021 485 HB2 HIS 60 HB2 HIS 60 -16.177 1.592 -7.527 486 HB3 HIS 60 HB1 HIS 60 -15.043 0.245 -7.532 487 HD1 HIS 60 HD1 HIS 60 -18.345 0.709 -5.681 488 HD2 HIS 60 HD2 HIS 60 -16.475 -1.907 -8.330 489 HE1 HIS 60 HE1 HIS 60 -19.984 -1.159 -6.068 490 HE2 HIS 60 HE2 HIS 60 -18.795 -2.790 -7.577 491 H LYS 61 HN LYS 61 -13.062 0.179 -5.867 492 HA LYS 61 HA LYS 61 -13.325 -2.374 -4.732 493 HB2 LYS 61 HB2 LYS 61 -11.467 -1.520 -6.227 494 HB3 LYS 61 HB1 LYS 61 -10.795 -0.744 -4.804 495 HG2 LYS 61 HG2 LYS 61 -9.627 -2.773 -5.087 496 HG3 LYS 61 HG1 LYS 61 -10.725 -3.005 -3.727 497 HD2 LYS 61 HD2 LYS 61 -10.747 -4.952 -5.185 498 HD3 LYS 61 HD1 LYS 61 -12.314 -4.139 -5.209 499 HE2 LYS 61 HE2 LYS 61 -11.645 -4.778 -7.458 500 HE3 LYS 61 HE1 LYS 61 -11.695 -3.023 -7.292 501 HZ1 LYS 61 HZ1 LYS 61 -9.271 -3.070 -6.955 502 HZ2 LYS 61 HZ2 LYS 61 -9.730 -3.643 -8.477 503 HZ3 LYS 61 HZ3 LYS 61 -9.271 -4.735 -7.263 504 H ARG 62 HN ARG 62 -12.465 0.732 -3.333 505 HA ARG 62 HA ARG 62 -11.566 -0.104 -0.829 506 HB2 ARG 62 HB2 ARG 62 -12.954 2.407 -1.738 507 HB3 ARG 62 HB1 ARG 62 -12.437 2.190 -0.074 508 HG2 ARG 62 HG2 ARG 62 -10.134 1.980 -0.782 509 HG3 ARG 62 HG1 ARG 62 -10.622 2.088 -2.475 510 HD2 ARG 62 HD2 ARG 62 -9.736 4.219 -1.522 511 HD3 ARG 62 HD1 ARG 62 -11.362 4.343 -2.193 512 HE ARG 62 HE ARG 62 -11.968 3.932 0.340 513 HH11 ARG 62 HH11 ARG 62 -9.417 5.953 -0.959 514 HH12 ARG 62 HH12 ARG 62 -9.489 7.109 0.338 515 HH21 ARG 62 HH21 ARG 62 -12.100 5.459 2.022 516 HH22 ARG 62 HH22 ARG 62 -11.049 6.839 2.027 517 H GLU 63 HN GLU 63 -14.876 0.674 -1.893 518 HA GLU 63 HA GLU 63 -15.990 0.236 0.697 519 HB2 GLU 63 HB2 GLU 63 -18.145 0.520 -0.336 520 HB3 GLU 63 HB1 GLU 63 -17.040 1.712 -1.004 521 HG2 GLU 63 HG2 GLU 63 -16.741 0.247 -2.977 522 HG3 GLU 63 HG1 GLU 63 -17.971 -0.826 -2.312 523 H ILE 64 HN ILE 64 -15.489 -1.740 -2.159 524 HA ILE 64 HA ILE 64 -17.024 -3.976 -1.367 525 HB ILE 64 HB ILE 64 -14.525 -3.906 -3.077 526 HG12 ILE 64 HG12 ILE 64 -16.321 -2.513 -3.996 527 HG13 ILE 64 HG11 ILE 64 -16.071 -3.942 -4.988 528 HG21 ILE 64 HG21 ILE 64 -16.623 -6.053 -2.799 529 HG22 ILE 64 HG22 ILE 64 -14.950 -6.142 -2.245 530 HG23 ILE 64 HG23 ILE 64 -15.306 -6.055 -3.972 531 HD11 ILE 64 HD11 ILE 64 -18.424 -3.468 -4.741 532 HD12 ILE 64 HD12 ILE 64 -18.274 -3.533 -2.985 533 HD13 ILE 64 HD13 ILE 64 -18.020 -4.989 -3.947 534 H TYR 65 HN TYR 65 -13.629 -3.115 -0.906 535 HA TYR 65 HA TYR 65 -12.777 -5.386 0.475 536 HB2 TYR 65 HB2 TYR 65 -11.183 -3.800 -0.359 537 HB3 TYR 65 HB1 TYR 65 -11.891 -2.500 0.587 538 HD1 TYR 65 HD2 TYR 65 -10.242 -5.824 1.067 539 HD2 TYR 65 HD1 TYR 65 -10.859 -1.886 2.554 540 HE1 TYR 65 HE2 TYR 65 -8.619 -6.253 2.865 541 HE2 TYR 65 HE1 TYR 65 -9.240 -2.306 4.353 542 HH TYR 65 HH TYR 65 -8.200 -4.052 5.515 543 H ASP 66 HN ASP 66 -14.341 -2.442 1.631 544 HA ASP 66 HA ASP 66 -13.943 -3.042 4.392 545 HB2 ASP 66 HB2 ASP 66 -14.250 -0.747 3.436 546 HB3 ASP 66 HB1 ASP 66 -15.946 -1.132 3.186 547 H ARG 67 HN ARG 67 -16.755 -3.341 2.194 548 HA ARG 67 HA ARG 67 -18.374 -4.323 4.390 549 HB2 ARG 67 HB2 ARG 67 -20.216 -4.171 2.921 550 HB3 ARG 67 HB1 ARG 67 -19.199 -2.777 2.584 551 HG2 ARG 67 HG2 ARG 67 -18.197 -4.354 0.745 552 HG3 ARG 67 HG1 ARG 67 -19.752 -5.173 0.916 553 HD2 ARG 67 HD2 ARG 67 -20.794 -2.862 0.659 554 HD3 ARG 67 HD1 ARG 67 -19.195 -2.343 0.115 555 HE ARG 67 HE ARG 67 -19.746 -4.528 -1.425 556 HH11 ARG 67 HH11 ARG 67 -21.356 -1.473 -0.814 557 HH12 ARG 67 HH12 ARG 67 -22.181 -1.451 -2.340 558 HH21 ARG 67 HH21 ARG 67 -20.850 -4.510 -3.438 559 HH22 ARG 67 HH22 ARG 67 -21.911 -3.182 -3.820 560 H TYR 68 HN TYR 68 -16.628 -5.727 1.685 561 HA TYR 68 HA TYR 68 -18.036 -8.269 2.048 562 HB2 TYR 68 HB2 TYR 68 -17.562 -7.299 -0.250 563 HB3 TYR 68 HB1 TYR 68 -15.864 -7.653 0.037 564 HD1 TYR 68 HD1 TYR 68 -19.200 -9.335 0.036 565 HD2 TYR 68 HD2 TYR 68 -15.016 -9.700 -0.649 566 HE1 TYR 68 HE1 TYR 68 -19.542 -11.619 -0.808 567 HE2 TYR 68 HE2 TYR 68 -15.349 -11.983 -1.496 568 HH TYR 68 HH TYR 68 -16.994 -13.805 -1.291 569 H GLY 69 HN GLY 69 -15.359 -6.685 3.236 570 HA2 GLY 69 HA2 GLY 69 -13.493 -8.770 3.613 571 HA3 GLY 69 HA1 GLY 69 -13.674 -7.338 4.620 572 H ARG 70 HN ARG 70 -16.246 -7.688 5.396 573 HA ARG 70 HA ARG 70 -16.057 -9.290 7.677 574 HB2 ARG 70 HB2 ARG 70 -18.566 -8.318 6.302 575 HB3 ARG 70 HB1 ARG 70 -18.444 -8.859 7.970 576 HG2 ARG 70 HG2 ARG 70 -17.016 -6.476 6.818 577 HG3 ARG 70 HG1 ARG 70 -18.503 -6.414 7.768 578 HD2 ARG 70 HD2 ARG 70 -15.923 -7.615 8.759 579 HD3 ARG 70 HD1 ARG 70 -16.404 -5.945 9.057 580 HE ARG 70 HE ARG 70 -18.533 -7.330 9.960 581 HH11 ARG 70 HH11 ARG 70 -15.095 -7.718 10.532 582 HH12 ARG 70 HH12 ARG 70 -15.308 -8.234 12.182 583 HH21 ARG 70 HH21 ARG 70 -18.799 -8.039 12.131 584 HH22 ARG 70 HH22 ARG 70 -17.390 -8.431 13.076 585 H GLU 71 HN GLU 71 -17.064 -10.093 4.451 586 HA GLU 71 HA GLU 71 -18.443 -12.507 5.158 587 HB2 GLU 71 HB2 GLU 71 -17.402 -11.456 2.522 588 HB3 GLU 71 HB1 GLU 71 -18.321 -12.945 2.686 589 HG2 GLU 71 HG2 GLU 71 -19.362 -10.281 3.597 590 HG3 GLU 71 HG1 GLU 71 -19.611 -10.908 1.969 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -14.110 2.922 11.123 2 H2 MET 1 HT2 MET 1 -14.133 3.207 12.795 3 H3 MET 1 HT3 MET 1 -13.284 1.879 12.174 4 HA MET 1 HA MET 1 -12.640 4.727 11.701 5 HB2 MET 1 HB2 MET 1 -11.445 2.622 13.495 6 HB3 MET 1 HB1 MET 1 -10.477 3.969 12.910 7 HG2 MET 1 HG2 MET 1 -11.367 4.379 15.142 8 HG3 MET 1 HG1 MET 1 -11.970 5.547 13.969 9 HE1 MET 1 HE1 MET 1 -14.975 5.166 16.458 10 HE2 MET 1 HE2 MET 1 -13.811 6.273 15.730 11 HE3 MET 1 HE3 MET 1 -13.268 5.061 16.890 12 H ALA 2 HN ALA 2 -11.752 5.020 9.798 13 HA ALA 2 HA ALA 2 -10.730 2.777 8.282 14 HB1 ALA 2 HB1 ALA 2 -12.040 4.416 7.099 15 HB2 ALA 2 HB2 ALA 2 -10.379 4.464 6.501 16 HB3 ALA 2 HB3 ALA 2 -10.952 5.708 7.612 17 H SER 3 HN SER 3 -9.016 2.361 9.881 18 HA SER 3 HA SER 3 -6.847 4.179 10.202 19 HB2 SER 3 HB2 SER 3 -6.726 1.198 10.643 20 HB3 SER 3 HB1 SER 3 -5.840 2.467 11.490 21 HG SER 3 HG SER 3 -7.411 2.477 12.875 22 H TYR 4 HN TYR 4 -7.520 3.655 7.435 23 HA TYR 4 HA TYR 4 -5.643 1.874 6.275 24 HB2 TYR 4 HB2 TYR 4 -7.244 4.155 5.109 25 HB3 TYR 4 HB1 TYR 4 -6.227 3.086 4.144 26 HD1 TYR 4 HD2 TYR 4 -6.677 0.491 4.650 27 HD2 TYR 4 HD1 TYR 4 -9.499 3.619 5.222 28 HE1 TYR 4 HE2 TYR 4 -8.506 -1.145 4.519 29 HE2 TYR 4 HE1 TYR 4 -11.340 1.990 5.100 30 HH TYR 4 HH TYR 4 -11.728 -0.299 4.110 31 H TYR 5 HN TYR 5 -5.477 5.175 7.340 32 HA TYR 5 HA TYR 5 -3.151 6.000 6.036 33 HB2 TYR 5 HB2 TYR 5 -2.763 7.315 8.263 34 HB3 TYR 5 HB1 TYR 5 -4.132 7.717 7.237 35 HD1 TYR 5 HD1 TYR 5 -3.140 5.988 10.359 36 HD2 TYR 5 HD2 TYR 5 -6.345 7.496 8.014 37 HE1 TYR 5 HE1 TYR 5 -4.669 5.685 12.265 38 HE2 TYR 5 HE2 TYR 5 -7.882 7.200 9.905 39 HH TYR 5 HH TYR 5 -6.830 6.579 13.076 40 H GLU 6 HN GLU 6 -3.595 3.829 8.743 41 HA GLU 6 HA GLU 6 -0.842 3.672 9.463 42 HB2 GLU 6 HB2 GLU 6 -3.105 1.747 10.008 43 HB3 GLU 6 HB1 GLU 6 -1.532 1.727 10.797 44 HG2 GLU 6 HG2 GLU 6 -3.361 4.093 10.891 45 HG3 GLU 6 HG1 GLU 6 -3.437 2.786 12.073 46 H ILE 7 HN ILE 7 -3.017 1.728 7.452 47 HA ILE 7 HA ILE 7 -1.140 -0.359 7.014 48 HB ILE 7 HB ILE 7 -2.721 -1.307 5.458 49 HG12 ILE 7 HG12 ILE 7 -4.988 0.110 5.312 50 HG13 ILE 7 HG11 ILE 7 -3.854 1.449 5.411 51 HG21 ILE 7 HG21 ILE 7 -3.265 -1.747 7.695 52 HG22 ILE 7 HG22 ILE 7 -4.784 -1.267 6.933 53 HG23 ILE 7 HG23 ILE 7 -3.907 -0.123 7.945 54 HD11 ILE 7 HD11 ILE 7 -2.681 0.586 3.442 55 HD12 ILE 7 HD12 ILE 7 -4.378 0.935 3.108 56 HD13 ILE 7 HD13 ILE 7 -3.848 -0.732 3.340 57 H LEU 8 HN LEU 8 -1.879 2.609 5.335 58 HA LEU 8 HA LEU 8 -0.179 1.821 3.095 59 HB2 LEU 8 HB2 LEU 8 -2.324 2.830 2.544 60 HB3 LEU 8 HB1 LEU 8 -1.939 4.236 3.516 61 HG LEU 8 HG LEU 8 -0.055 4.732 1.960 62 HD11 LEU 8 HD11 LEU 8 0.305 2.498 1.084 63 HD12 LEU 8 HD12 LEU 8 -0.039 3.631 -0.222 64 HD13 LEU 8 HD13 LEU 8 -1.289 2.519 0.330 65 HD21 LEU 8 HD21 LEU 8 -2.815 4.569 0.762 66 HD22 LEU 8 HD22 LEU 8 -1.491 5.553 0.141 67 HD23 LEU 8 HD23 LEU 8 -2.166 5.889 1.736 68 H ASP 9 HN ASP 9 -0.615 4.976 4.601 69 HA ASP 9 HA ASP 9 1.796 5.326 5.893 70 HB2 ASP 9 HB2 ASP 9 2.735 4.918 3.561 71 HB3 ASP 9 HB1 ASP 9 1.982 6.436 3.086 72 H VAL 10 HN VAL 10 -0.521 6.729 3.696 73 HA VAL 10 HA VAL 10 -0.708 9.116 5.413 74 HB VAL 10 HB VAL 10 -1.397 10.407 3.430 75 HG11 VAL 10 HG11 VAL 10 0.805 10.564 2.361 76 HG12 VAL 10 HG12 VAL 10 1.277 9.047 3.129 77 HG13 VAL 10 HG13 VAL 10 0.932 10.466 4.117 78 HG21 VAL 10 HG21 VAL 10 -1.079 9.493 1.182 79 HG22 VAL 10 HG22 VAL 10 -2.295 8.585 2.082 80 HG23 VAL 10 HG23 VAL 10 -0.673 7.924 1.878 81 HA PRO 11 HA PRO 11 -5.017 8.188 5.802 82 HB2 PRO 11 HB2 PRO 11 -5.741 10.975 5.993 83 HB3 PRO 11 HB1 PRO 11 -5.570 9.795 7.292 84 HG2 PRO 11 HG2 PRO 11 -3.895 11.934 6.936 85 HG3 PRO 11 HG1 PRO 11 -3.428 10.435 7.756 86 HD2 PRO 11 HD2 PRO 11 -2.857 11.325 4.960 87 HD3 PRO 11 HD1 PRO 11 -1.808 10.465 6.109 88 H ARG 12 HN ARG 12 -7.105 8.429 4.881 89 HA ARG 12 HA ARG 12 -7.159 8.626 2.079 90 HB2 ARG 12 HB2 ARG 12 -9.594 8.465 2.307 91 HB3 ARG 12 HB1 ARG 12 -8.773 7.276 3.306 92 HG2 ARG 12 HG2 ARG 12 -9.139 8.670 5.267 93 HG3 ARG 12 HG1 ARG 12 -9.924 9.890 4.263 94 HD2 ARG 12 HD2 ARG 12 -11.624 8.184 3.633 95 HD3 ARG 12 HD1 ARG 12 -10.878 7.078 4.789 96 HE ARG 12 HE ARG 12 -11.626 9.630 5.900 97 HH11 ARG 12 HH11 ARG 12 -12.758 6.397 5.152 98 HH12 ARG 12 HH12 ARG 12 -13.975 6.400 6.393 99 HH21 ARG 12 HH21 ARG 12 -13.215 9.648 7.526 100 HH22 ARG 12 HH22 ARG 12 -14.221 8.243 7.765 101 H SER 13 HN SER 13 -7.550 10.994 4.518 102 HA SER 13 HA SER 13 -9.031 12.939 3.126 103 HB2 SER 13 HB2 SER 13 -7.962 14.508 4.823 104 HB3 SER 13 HB1 SER 13 -8.854 13.141 5.491 105 HG SER 13 HG SER 13 -7.045 12.824 6.539 106 H ALA 14 HN ALA 14 -5.793 11.886 2.809 107 HA ALA 14 HA ALA 14 -4.725 14.255 1.614 108 HB1 ALA 14 HB1 ALA 14 -2.820 12.906 1.048 109 HB2 ALA 14 HB2 ALA 14 -3.727 11.421 1.330 110 HB3 ALA 14 HB3 ALA 14 -3.330 12.483 2.682 111 H SER 15 HN SER 15 -4.386 14.655 -0.578 112 HA SER 15 HA SER 15 -6.498 13.986 -2.288 113 HB2 SER 15 HB2 SER 15 -4.990 16.017 -2.436 114 HB3 SER 15 HB1 SER 15 -3.774 14.966 -3.159 115 HG SER 15 HG SER 15 -4.785 15.651 -4.914 116 H ALA 16 HN ALA 16 -6.383 12.816 -4.355 117 HA ALA 16 HA ALA 16 -5.759 10.158 -3.954 118 HB1 ALA 16 HB1 ALA 16 -7.327 10.995 -5.662 119 HB2 ALA 16 HB2 ALA 16 -6.193 9.808 -6.303 120 HB3 ALA 16 HB3 ALA 16 -5.955 11.523 -6.635 121 H ASP 17 HN ASP 17 -3.805 12.601 -5.617 122 HA ASP 17 HA ASP 17 -1.784 10.871 -6.517 123 HB2 ASP 17 HB2 ASP 17 -1.997 13.117 -7.423 124 HB3 ASP 17 HB1 ASP 17 -1.612 13.797 -5.846 125 H ASP 18 HN ASP 18 -2.293 12.482 -3.445 126 HA ASP 18 HA ASP 18 0.286 12.157 -2.369 127 HB2 ASP 18 HB2 ASP 18 -2.424 12.399 -1.072 128 HB3 ASP 18 HB1 ASP 18 -0.934 12.287 -0.141 129 H ILE 19 HN ILE 19 -2.599 10.099 -2.181 130 HA ILE 19 HA ILE 19 -1.483 8.032 -0.652 131 HB ILE 19 HB ILE 19 -3.721 8.121 -2.641 132 HG12 ILE 19 HG12 ILE 19 -4.910 7.267 -0.505 133 HG13 ILE 19 HG11 ILE 19 -3.446 7.791 0.319 134 HG21 ILE 19 HG21 ILE 19 -2.676 5.932 -2.976 135 HG22 ILE 19 HG22 ILE 19 -4.266 5.796 -2.225 136 HG23 ILE 19 HG23 ILE 19 -2.812 5.610 -1.247 137 HD11 ILE 19 HD11 ILE 19 -5.494 9.408 -1.111 138 HD12 ILE 19 HD12 ILE 19 -3.844 10.001 -0.945 139 HD13 ILE 19 HD13 ILE 19 -4.797 9.638 0.497 140 H LYS 20 HN LYS 20 -1.580 8.553 -4.131 141 HA LYS 20 HA LYS 20 -0.202 6.209 -4.885 142 HB2 LYS 20 HB2 LYS 20 -1.594 7.614 -6.383 143 HB3 LYS 20 HB1 LYS 20 -0.369 8.868 -6.311 144 HG2 LYS 20 HG2 LYS 20 1.215 7.454 -7.446 145 HG3 LYS 20 HG1 LYS 20 0.078 6.102 -7.412 146 HD2 LYS 20 HD2 LYS 20 0.101 7.216 -9.603 147 HD3 LYS 20 HD1 LYS 20 -1.475 7.349 -8.817 148 HE2 LYS 20 HE2 LYS 20 -0.848 9.609 -8.038 149 HE3 LYS 20 HE1 LYS 20 0.666 9.472 -8.925 150 HZ1 LYS 20 HZ1 LYS 20 -2.076 9.520 -10.062 151 HZ2 LYS 20 HZ2 LYS 20 -0.682 9.181 -10.971 152 HZ3 LYS 20 HZ3 LYS 20 -0.868 10.698 -10.237 153 H LYS 21 HN LYS 21 0.868 9.464 -4.040 154 HA LYS 21 HA LYS 21 3.616 9.072 -4.617 155 HB2 LYS 21 HB2 LYS 21 2.148 11.023 -2.864 156 HB3 LYS 21 HB1 LYS 21 3.901 11.014 -2.962 157 HG2 LYS 21 HG2 LYS 21 2.048 11.396 -5.308 158 HG3 LYS 21 HG1 LYS 21 2.837 12.698 -4.417 159 HD2 LYS 21 HD2 LYS 21 4.319 12.439 -6.149 160 HD3 LYS 21 HD1 LYS 21 5.003 11.312 -4.980 161 HE2 LYS 21 HE2 LYS 21 4.944 10.274 -7.141 162 HE3 LYS 21 HE1 LYS 21 3.794 9.474 -6.068 163 HZ1 LYS 21 HZ1 LYS 21 2.719 9.788 -8.143 164 HZ2 LYS 21 HZ2 LYS 21 3.227 11.400 -8.255 165 HZ3 LYS 21 HZ3 LYS 21 2.056 10.964 -7.111 166 H ALA 22 HN ALA 22 1.681 8.639 -1.683 167 HA ALA 22 HA ALA 22 3.785 8.104 0.092 168 HB1 ALA 22 HB1 ALA 22 2.106 7.036 1.501 169 HB2 ALA 22 HB2 ALA 22 0.979 6.999 0.146 170 HB3 ALA 22 HB3 ALA 22 1.491 8.544 0.825 171 H TYR 23 HN TYR 23 1.853 5.920 -1.924 172 HA TYR 23 HA TYR 23 3.089 3.526 -1.215 173 HB2 TYR 23 HB2 TYR 23 1.268 3.070 -2.498 174 HB3 TYR 23 HB1 TYR 23 1.493 4.491 -3.519 175 HD1 TYR 23 HD2 TYR 23 2.784 1.049 -2.908 176 HD2 TYR 23 HD1 TYR 23 2.442 4.283 -5.648 177 HE1 TYR 23 HE2 TYR 23 3.718 -0.365 -4.688 178 HE2 TYR 23 HE1 TYR 23 3.374 2.876 -7.434 179 HH TYR 23 HH TYR 23 4.904 0.835 -7.550 180 H ARG 24 HN ARG 24 3.932 5.807 -3.815 181 HA ARG 24 HA ARG 24 6.149 4.286 -4.712 182 HB2 ARG 24 HB2 ARG 24 5.354 7.170 -5.156 183 HB3 ARG 24 HB1 ARG 24 6.812 6.461 -5.854 184 HG2 ARG 24 HG2 ARG 24 5.432 4.791 -6.992 185 HG3 ARG 24 HG1 ARG 24 3.987 5.538 -6.304 186 HD2 ARG 24 HD2 ARG 24 4.238 6.387 -8.508 187 HD3 ARG 24 HD1 ARG 24 4.679 7.669 -7.375 188 HE ARG 24 HE ARG 24 7.037 7.097 -7.855 189 HH11 ARG 24 HH11 ARG 24 4.563 6.145 -10.156 190 HH12 ARG 24 HH12 ARG 24 5.651 6.128 -11.512 191 HH21 ARG 24 HH21 ARG 24 8.458 7.089 -9.628 192 HH22 ARG 24 HH22 ARG 24 7.875 6.669 -11.211 193 H ARG 25 HN ARG 25 5.774 6.800 -2.321 194 HA ARG 25 HA ARG 25 8.482 7.399 -1.873 195 HB2 ARG 25 HB2 ARG 25 6.903 8.873 -0.954 196 HB3 ARG 25 HB1 ARG 25 5.968 7.571 -0.236 197 HG2 ARG 25 HG2 ARG 25 7.965 7.190 1.284 198 HG3 ARG 25 HG1 ARG 25 8.553 8.754 0.711 199 HD2 ARG 25 HD2 ARG 25 5.944 8.197 2.116 200 HD3 ARG 25 HD1 ARG 25 7.332 9.063 2.772 201 HE ARG 25 HE ARG 25 6.726 10.525 0.596 202 HH11 ARG 25 HH11 ARG 25 4.683 9.264 3.169 203 HH12 ARG 25 HH12 ARG 25 3.601 10.620 3.126 204 HH21 ARG 25 HH21 ARG 25 5.259 12.286 0.536 205 HH22 ARG 25 HH22 ARG 25 3.930 12.334 1.656 206 H LYS 26 HN LYS 26 6.332 5.069 -0.296 207 HA LYS 26 HA LYS 26 8.331 4.034 1.431 208 HB2 LYS 26 HB2 LYS 26 5.916 3.904 1.887 209 HB3 LYS 26 HB1 LYS 26 5.722 2.823 0.514 210 HG2 LYS 26 HG2 LYS 26 6.821 1.075 1.582 211 HG3 LYS 26 HG1 LYS 26 7.538 2.144 2.793 212 HD2 LYS 26 HD2 LYS 26 4.582 1.681 2.508 213 HD3 LYS 26 HD1 LYS 26 5.608 0.764 3.618 214 HE2 LYS 26 HE2 LYS 26 6.268 2.893 4.701 215 HE3 LYS 26 HE1 LYS 26 5.168 3.755 3.629 216 HZ1 LYS 26 HZ1 LYS 26 4.200 3.346 5.817 217 HZ2 LYS 26 HZ2 LYS 26 4.359 1.674 5.590 218 HZ3 LYS 26 HZ3 LYS 26 3.316 2.570 4.597 219 H ALA 27 HN ALA 27 6.959 2.993 -1.644 220 HA ALA 27 HA ALA 27 8.455 0.717 -2.144 221 HB1 ALA 27 HB1 ALA 27 7.842 2.769 -4.252 222 HB2 ALA 27 HB2 ALA 27 6.604 1.742 -3.541 223 HB3 ALA 27 HB3 ALA 27 7.944 1.013 -4.427 224 H LEU 28 HN LEU 28 9.371 4.108 -2.520 225 HA LEU 28 HA LEU 28 11.874 3.582 -3.760 226 HB2 LEU 28 HB2 LEU 28 10.408 5.894 -2.858 227 HB3 LEU 28 HB1 LEU 28 12.100 6.024 -2.419 228 HG LEU 28 HG LEU 28 11.639 7.086 -4.577 229 HD11 LEU 28 HD11 LEU 28 13.401 5.984 -5.872 230 HD12 LEU 28 HD12 LEU 28 13.317 4.590 -4.797 231 HD13 LEU 28 HD13 LEU 28 13.849 6.152 -4.174 232 HD21 LEU 28 HD21 LEU 28 11.037 5.724 -6.522 233 HD22 LEU 28 HD22 LEU 28 9.774 5.693 -5.292 234 HD23 LEU 28 HD23 LEU 28 10.856 4.314 -5.475 235 H GLN 29 HN GLN 29 10.879 3.971 -0.397 236 HA GLN 29 HA GLN 29 13.460 4.049 0.728 237 HB2 GLN 29 HB2 GLN 29 10.907 2.954 1.919 238 HB3 GLN 29 HB1 GLN 29 12.370 3.327 2.818 239 HG2 GLN 29 HG2 GLN 29 10.717 5.328 1.298 240 HG3 GLN 29 HG1 GLN 29 10.630 5.046 3.033 241 HE21 GLN 29 HE21 GLN 29 11.226 7.079 3.596 242 HE22 GLN 29 HE22 GLN 29 12.818 7.718 3.349 243 H TRP 30 HN TRP 30 11.400 1.409 -0.292 244 HA TRP 30 HA TRP 30 13.410 -0.523 0.628 245 HB2 TRP 30 HB2 TRP 30 10.554 -1.045 -0.222 246 HB3 TRP 30 HB1 TRP 30 11.672 -2.220 0.465 247 HD1 TRP 30 HD1 TRP 30 8.794 -0.464 1.533 248 HE1 TRP 30 HE1 TRP 30 8.787 0.036 4.060 249 HE3 TRP 30 HE3 TRP 30 13.754 -1.227 2.529 250 HZ2 TRP 30 HZ2 TRP 30 10.640 0.103 6.189 251 HZ3 TRP 30 HZ3 TRP 30 14.553 -0.918 4.834 252 HH2 TRP 30 HH2 TRP 30 13.028 -0.266 6.626 253 H HIS 31 HN HIS 31 13.325 1.197 -1.869 254 HA HIS 31 HA HIS 31 13.013 -0.592 -4.078 255 HB2 HIS 31 HB2 HIS 31 13.114 2.108 -3.848 256 HB3 HIS 31 HB1 HIS 31 14.772 1.787 -4.343 257 HD1 HIS 31 HD1 HIS 31 15.144 1.678 -6.790 258 HD2 HIS 31 HD2 HIS 31 11.172 0.940 -5.770 259 HE1 HIS 31 HE1 HIS 31 13.899 1.485 -8.975 260 HE2 HIS 31 HE2 HIS 31 11.473 1.214 -8.331 261 HA PRO 32 HA PRO 32 16.423 -3.144 -3.708 262 HB2 PRO 32 HB2 PRO 32 17.299 -3.312 -6.337 263 HB3 PRO 32 HB1 PRO 32 15.971 -4.238 -5.635 264 HG2 PRO 32 HG2 PRO 32 15.881 -1.720 -7.243 265 HG3 PRO 32 HG1 PRO 32 14.823 -3.139 -7.321 266 HD2 PRO 32 HD2 PRO 32 14.017 -0.926 -6.096 267 HD3 PRO 32 HD1 PRO 32 13.650 -2.522 -5.403 268 H ASP 33 HN ASP 33 17.100 -0.215 -5.557 269 HA ASP 33 HA ASP 33 19.935 -0.412 -5.354 270 HB2 ASP 33 HB2 ASP 33 19.867 2.038 -5.959 271 HB3 ASP 33 HB1 ASP 33 19.054 0.960 -7.090 272 H LYS 34 HN LYS 34 17.437 1.003 -3.359 273 HA LYS 34 HA LYS 34 19.366 2.180 -1.532 274 HB2 LYS 34 HB2 LYS 34 16.843 2.902 -2.288 275 HB3 LYS 34 HB1 LYS 34 16.522 2.079 -0.767 276 HG2 LYS 34 HG2 LYS 34 16.810 4.472 -0.446 277 HG3 LYS 34 HG1 LYS 34 18.082 3.557 0.373 278 HD2 LYS 34 HD2 LYS 34 19.655 4.059 -1.343 279 HD3 LYS 34 HD1 LYS 34 18.399 4.742 -2.377 280 HE2 LYS 34 HE2 LYS 34 19.277 5.854 0.286 281 HE3 LYS 34 HE1 LYS 34 19.776 6.467 -1.288 282 HZ1 LYS 34 HZ1 LYS 34 17.962 7.756 -0.316 283 HZ2 LYS 34 HZ2 LYS 34 16.972 6.378 -0.306 284 HZ3 LYS 34 HZ3 LYS 34 17.498 7.035 -1.777 285 H ASN 35 HN ASN 35 18.269 -0.805 -2.095 286 HA ASN 35 HA ASN 35 17.934 -1.594 0.713 287 HB2 ASN 35 HB2 ASN 35 16.123 -2.260 -0.819 288 HB3 ASN 35 HB1 ASN 35 17.293 -3.054 -1.871 289 HD21 ASN 35 HD21 ASN 35 15.570 -3.212 1.130 290 HD22 ASN 35 HD22 ASN 35 15.921 -4.874 1.467 291 HA PRO 36 HA PRO 36 22.007 -3.315 0.573 292 HB2 PRO 36 HB2 PRO 36 21.956 -4.917 2.718 293 HB3 PRO 36 HB1 PRO 36 21.874 -3.155 2.875 294 HG2 PRO 36 HG2 PRO 36 19.648 -5.163 2.903 295 HG3 PRO 36 HG1 PRO 36 19.943 -3.824 4.033 296 HD2 PRO 36 HD2 PRO 36 18.174 -3.620 1.993 297 HD3 PRO 36 HD1 PRO 36 19.128 -2.234 2.563 298 H ASP 37 HN ASP 37 21.569 -6.198 2.043 299 HA ASP 37 HA ASP 37 21.679 -7.555 -0.552 300 HB2 ASP 37 HB2 ASP 37 22.788 -8.285 2.133 301 HB3 ASP 37 HB1 ASP 37 22.652 -9.470 0.836 302 H ASN 38 HN ASN 38 19.525 -7.063 1.937 303 HA ASN 38 HA ASN 38 18.188 -9.626 1.412 304 HB2 ASN 38 HB2 ASN 38 18.086 -7.723 3.719 305 HB3 ASN 38 HB1 ASN 38 16.688 -8.738 3.382 306 HD21 ASN 38 HD21 ASN 38 18.486 -8.765 5.674 307 HD22 ASN 38 HD22 ASN 38 19.137 -10.367 5.742 308 H LYS 39 HN LYS 39 17.022 -9.393 -0.363 309 HA LYS 39 HA LYS 39 15.510 -6.920 -0.769 310 HB2 LYS 39 HB2 LYS 39 16.395 -9.137 -2.583 311 HB3 LYS 39 HB1 LYS 39 15.042 -8.116 -3.053 312 HG2 LYS 39 HG2 LYS 39 17.001 -7.228 -4.060 313 HG3 LYS 39 HG1 LYS 39 16.530 -6.133 -2.762 314 HD2 LYS 39 HD2 LYS 39 18.822 -6.304 -2.466 315 HD3 LYS 39 HD1 LYS 39 18.203 -7.501 -1.330 316 HE2 LYS 39 HE2 LYS 39 20.044 -8.473 -2.494 317 HE3 LYS 39 HE1 LYS 39 18.566 -9.242 -3.074 318 HZ1 LYS 39 HZ1 LYS 39 20.114 -8.667 -4.870 319 HZ2 LYS 39 HZ2 LYS 39 19.986 -7.029 -4.461 320 HZ3 LYS 39 HZ3 LYS 39 18.629 -7.868 -5.035 321 H GLU 40 HN GLU 40 15.156 -10.133 0.230 322 HA GLU 40 HA GLU 40 12.652 -10.909 -0.618 323 HB2 GLU 40 HB2 GLU 40 14.224 -12.300 0.688 324 HB3 GLU 40 HB1 GLU 40 13.875 -11.342 2.116 325 HG2 GLU 40 HG2 GLU 40 12.606 -13.282 2.367 326 HG3 GLU 40 HG1 GLU 40 11.457 -12.062 1.821 327 H PHE 41 HN PHE 41 13.438 -8.966 2.278 328 HA PHE 41 HA PHE 41 10.684 -8.654 2.950 329 HB2 PHE 41 HB2 PHE 41 11.341 -7.327 4.777 330 HB3 PHE 41 HB1 PHE 41 12.601 -8.537 4.609 331 HD1 PHE 41 HD2 PHE 41 11.763 -4.998 4.343 332 HD2 PHE 41 HD1 PHE 41 14.849 -7.899 3.938 333 HE1 PHE 41 HE2 PHE 41 13.444 -3.205 4.361 334 HE2 PHE 41 HE1 PHE 41 16.535 -6.107 3.966 335 HZ PHE 41 HZ PHE 41 15.834 -3.759 4.175 336 H ALA 42 HN ALA 42 13.004 -6.764 1.124 337 HA ALA 42 HA ALA 42 11.569 -4.348 1.023 338 HB1 ALA 42 HB1 ALA 42 13.561 -5.530 -0.902 339 HB2 ALA 42 HB2 ALA 42 13.879 -4.373 0.393 340 HB3 ALA 42 HB3 ALA 42 12.934 -3.889 -1.015 341 H GLU 43 HN GLU 43 11.602 -7.135 -1.194 342 HA GLU 43 HA GLU 43 9.696 -5.995 -2.972 343 HB2 GLU 43 HB2 GLU 43 9.491 -8.276 -3.909 344 HB3 GLU 43 HB1 GLU 43 11.157 -7.729 -3.789 345 HG2 GLU 43 HG2 GLU 43 11.546 -9.107 -1.887 346 HG3 GLU 43 HG1 GLU 43 9.835 -9.523 -1.775 347 H LYS 44 HN LYS 44 9.464 -8.123 -0.168 348 HA LYS 44 HA LYS 44 6.746 -8.774 -0.390 349 HB2 LYS 44 HB2 LYS 44 8.777 -9.314 1.417 350 HB3 LYS 44 HB1 LYS 44 7.631 -8.372 2.364 351 HG2 LYS 44 HG2 LYS 44 7.182 -10.751 2.566 352 HG3 LYS 44 HG1 LYS 44 5.846 -9.925 1.762 353 HD2 LYS 44 HD2 LYS 44 6.377 -12.034 0.642 354 HD3 LYS 44 HD1 LYS 44 6.694 -10.656 -0.415 355 HE2 LYS 44 HE2 LYS 44 9.092 -10.781 0.300 356 HE3 LYS 44 HE1 LYS 44 8.701 -12.286 1.129 357 HZ1 LYS 44 HZ1 LYS 44 8.016 -13.229 -0.994 358 HZ2 LYS 44 HZ2 LYS 44 9.631 -12.705 -1.048 359 HZ3 LYS 44 HZ3 LYS 44 8.412 -11.780 -1.783 360 H LYS 45 HN LYS 45 8.363 -6.065 1.230 361 HA LYS 45 HA LYS 45 6.007 -4.851 2.228 362 HB2 LYS 45 HB2 LYS 45 8.744 -3.726 1.635 363 HB3 LYS 45 HB1 LYS 45 7.455 -2.792 2.382 364 HG2 LYS 45 HG2 LYS 45 8.795 -5.245 3.488 365 HG3 LYS 45 HG1 LYS 45 8.907 -3.594 4.098 366 HD2 LYS 45 HD2 LYS 45 6.423 -3.684 4.464 367 HD3 LYS 45 HD1 LYS 45 6.517 -5.404 4.099 368 HE2 LYS 45 HE2 LYS 45 8.066 -5.726 5.937 369 HE3 LYS 45 HE1 LYS 45 8.025 -4.004 6.293 370 HZ1 LYS 45 HZ1 LYS 45 5.691 -5.841 6.446 371 HZ2 LYS 45 HZ2 LYS 45 5.692 -4.189 6.839 372 HZ3 LYS 45 HZ3 LYS 45 6.589 -5.283 7.774 373 H PHE 46 HN PHE 46 7.868 -4.496 -0.730 374 HA PHE 46 HA PHE 46 6.512 -2.328 -1.864 375 HB2 PHE 46 HB2 PHE 46 8.608 -3.210 -2.773 376 HB3 PHE 46 HB1 PHE 46 7.799 -4.708 -3.225 377 HD1 PHE 46 HD2 PHE 46 7.981 -1.085 -3.923 378 HD2 PHE 46 HD1 PHE 46 6.635 -4.893 -5.262 379 HE1 PHE 46 HE2 PHE 46 7.448 -0.117 -6.118 380 HE2 PHE 46 HE1 PHE 46 6.103 -3.932 -7.467 381 HZ PHE 46 HZ PHE 46 6.509 -1.540 -7.894 382 H LYS 47 HN LYS 47 5.812 -5.782 -1.914 383 HA LYS 47 HA LYS 47 3.590 -5.620 -3.668 384 HB2 LYS 47 HB2 LYS 47 4.813 -7.720 -3.190 385 HB3 LYS 47 HB1 LYS 47 4.179 -7.699 -1.550 386 HG2 LYS 47 HG2 LYS 47 2.880 -9.230 -2.844 387 HG3 LYS 47 HG1 LYS 47 1.884 -7.815 -2.494 388 HD2 LYS 47 HD2 LYS 47 1.537 -8.401 -4.784 389 HD3 LYS 47 HD1 LYS 47 2.501 -6.924 -4.747 390 HE2 LYS 47 HE2 LYS 47 3.394 -8.441 -6.409 391 HE3 LYS 47 HE1 LYS 47 4.539 -8.271 -5.077 392 HZ1 LYS 47 HZ1 LYS 47 2.643 -10.530 -5.442 393 HZ2 LYS 47 HZ2 LYS 47 3.766 -10.374 -4.181 394 HZ3 LYS 47 HZ3 LYS 47 4.306 -10.576 -5.773 395 H GLU 48 HN GLU 48 3.929 -5.473 -0.156 396 HA GLU 48 HA GLU 48 1.195 -5.694 0.484 397 HB2 GLU 48 HB2 GLU 48 3.401 -4.302 2.015 398 HB3 GLU 48 HB1 GLU 48 1.830 -4.741 2.670 399 HG2 GLU 48 HG2 GLU 48 3.879 -6.674 1.621 400 HG3 GLU 48 HG1 GLU 48 3.599 -6.299 3.321 401 H VAL 49 HN VAL 49 3.265 -2.845 -0.012 402 HA VAL 49 HA VAL 49 1.140 -1.008 0.470 403 HB VAL 49 HB VAL 49 3.404 -0.253 0.817 404 HG11 VAL 49 HG11 VAL 49 3.865 -0.492 -2.152 405 HG12 VAL 49 HG12 VAL 49 4.412 -1.685 -0.978 406 HG13 VAL 49 HG13 VAL 49 5.038 -0.035 -0.913 407 HG21 VAL 49 HG21 VAL 49 3.295 1.867 -0.227 408 HG22 VAL 49 HG22 VAL 49 1.628 1.346 0.013 409 HG23 VAL 49 HG23 VAL 49 2.363 1.229 -1.580 410 H ALA 50 HN ALA 50 2.481 -2.519 -2.417 411 HA ALA 50 HA ALA 50 1.233 -0.890 -4.321 412 HB1 ALA 50 HB1 ALA 50 1.860 -3.820 -4.611 413 HB2 ALA 50 HB2 ALA 50 3.034 -2.520 -4.794 414 HB3 ALA 50 HB3 ALA 50 1.671 -2.638 -5.907 415 H GLU 51 HN GLU 51 0.108 -3.931 -2.832 416 HA GLU 51 HA GLU 51 -2.342 -3.927 -4.295 417 HB2 GLU 51 HB2 GLU 51 -3.041 -5.736 -2.827 418 HB3 GLU 51 HB1 GLU 51 -1.403 -6.002 -3.402 419 HG2 GLU 51 HG2 GLU 51 -0.497 -5.314 -1.281 420 HG3 GLU 51 HG1 GLU 51 -2.100 -4.877 -0.697 421 H ALA 52 HN ALA 52 -1.347 -2.775 -1.142 422 HA ALA 52 HA ALA 52 -3.970 -2.303 -0.165 423 HB1 ALA 52 HB1 ALA 52 -1.854 -2.690 1.160 424 HB2 ALA 52 HB2 ALA 52 -2.933 -1.413 1.739 425 HB3 ALA 52 HB3 ALA 52 -1.469 -0.993 0.846 426 H TYR 53 HN TYR 53 -1.561 -0.265 -1.768 427 HA TYR 53 HA TYR 53 -3.127 2.108 -1.539 428 HB2 TYR 53 HB2 TYR 53 -1.212 3.040 -2.213 429 HB3 TYR 53 HB1 TYR 53 -0.526 1.439 -2.453 430 HD1 TYR 53 HD1 TYR 53 -2.158 4.295 -4.094 431 HD2 TYR 53 HD2 TYR 53 -0.293 0.517 -4.679 432 HE1 TYR 53 HE1 TYR 53 -2.017 4.745 -6.502 433 HE2 TYR 53 HE2 TYR 53 -0.144 0.958 -7.093 434 HH TYR 53 HH TYR 53 -0.627 4.014 -8.435 435 H GLU 54 HN GLU 54 -2.800 -0.450 -3.914 436 HA GLU 54 HA GLU 54 -4.241 0.680 -6.022 437 HB2 GLU 54 HB2 GLU 54 -2.851 -1.350 -6.192 438 HB3 GLU 54 HB1 GLU 54 -4.012 -2.229 -5.212 439 HG2 GLU 54 HG2 GLU 54 -4.901 -0.952 -7.752 440 HG3 GLU 54 HG1 GLU 54 -4.000 -2.465 -7.804 441 H VAL 55 HN VAL 55 -5.345 -1.372 -3.337 442 HA VAL 55 HA VAL 55 -8.075 -1.293 -4.118 443 HB VAL 55 HB VAL 55 -7.229 -3.105 -2.716 444 HG11 VAL 55 HG11 VAL 55 -6.913 -1.029 -0.557 445 HG12 VAL 55 HG12 VAL 55 -5.616 -1.909 -1.366 446 HG13 VAL 55 HG13 VAL 55 -6.759 -2.773 -0.337 447 HG21 VAL 55 HG21 VAL 55 -9.608 -2.614 -2.636 448 HG22 VAL 55 HG22 VAL 55 -9.342 -1.476 -1.313 449 HG23 VAL 55 HG23 VAL 55 -9.034 -3.196 -1.073 450 H LEU 56 HN LEU 56 -6.103 0.703 -1.994 451 HA LEU 56 HA LEU 56 -8.293 1.982 -0.705 452 HB2 LEU 56 HB2 LEU 56 -5.978 1.702 0.214 453 HB3 LEU 56 HB1 LEU 56 -5.427 2.915 -0.914 454 HG LEU 56 HG LEU 56 -7.565 3.556 1.100 455 HD11 LEU 56 HD11 LEU 56 -4.582 3.715 1.516 456 HD12 LEU 56 HD12 LEU 56 -5.677 2.594 2.326 457 HD13 LEU 56 HD13 LEU 56 -5.818 4.329 2.613 458 HD21 LEU 56 HD21 LEU 56 -6.667 5.815 0.873 459 HD22 LEU 56 HD22 LEU 56 -7.167 5.175 -0.693 460 HD23 LEU 56 HD23 LEU 56 -5.456 5.228 -0.267 461 H SER 57 HN SER 57 -6.561 2.638 -3.654 462 HA SER 57 HA SER 57 -7.293 5.418 -3.732 463 HB2 SER 57 HB2 SER 57 -6.180 3.674 -5.943 464 HB3 SER 57 HB1 SER 57 -6.233 5.436 -5.931 465 HG SER 57 HG SER 57 -4.726 3.727 -4.234 466 H ASP 58 HN ASP 58 -8.842 2.498 -4.588 467 HA ASP 58 HA ASP 58 -10.652 3.969 -6.389 468 HB2 ASP 58 HB2 ASP 58 -9.526 2.212 -7.610 469 HB3 ASP 58 HB1 ASP 58 -9.995 1.023 -6.396 470 H LYS 59 HN LYS 59 -12.729 4.034 -5.974 471 HA LYS 59 HA LYS 59 -13.660 3.490 -3.371 472 HB2 LYS 59 HB2 LYS 59 -15.415 3.994 -5.774 473 HB3 LYS 59 HB1 LYS 59 -15.785 4.315 -4.088 474 HG2 LYS 59 HG2 LYS 59 -15.279 6.421 -4.669 475 HG3 LYS 59 HG1 LYS 59 -13.625 5.881 -4.381 476 HD2 LYS 59 HD2 LYS 59 -13.780 7.074 -6.497 477 HD3 LYS 59 HD1 LYS 59 -13.384 5.380 -6.775 478 HE2 LYS 59 HE2 LYS 59 -15.041 6.128 -8.378 479 HE3 LYS 59 HE1 LYS 59 -15.735 4.922 -7.298 480 HZ1 LYS 59 HZ1 LYS 59 -16.883 6.611 -6.102 481 HZ2 LYS 59 HZ2 LYS 59 -17.186 6.871 -7.750 482 HZ3 LYS 59 HZ3 LYS 59 -16.071 7.849 -6.930 483 H HIS 60 HN HIS 60 -13.891 1.760 -6.412 484 HA HIS 60 HA HIS 60 -15.977 -0.018 -5.627 485 HB2 HIS 60 HB2 HIS 60 -13.837 -0.580 -7.689 486 HB3 HIS 60 HB1 HIS 60 -15.435 -1.304 -7.587 487 HD1 HIS 60 HD1 HIS 60 -13.632 1.746 -8.751 488 HD2 HIS 60 HD2 HIS 60 -17.526 0.270 -8.635 489 HE1 HIS 60 HE1 HIS 60 -14.965 3.218 -10.296 490 HE2 HIS 60 HE2 HIS 60 -17.240 2.145 -10.403 491 H LYS 61 HN LYS 61 -12.456 -0.218 -5.662 492 HA LYS 61 HA LYS 61 -12.290 -2.904 -4.885 493 HB2 LYS 61 HB2 LYS 61 -10.269 -0.706 -4.495 494 HB3 LYS 61 HB1 LYS 61 -9.941 -2.426 -4.372 495 HG2 LYS 61 HG2 LYS 61 -10.749 -0.911 -6.843 496 HG3 LYS 61 HG1 LYS 61 -9.176 -1.632 -6.501 497 HD2 LYS 61 HD2 LYS 61 -11.778 -3.122 -6.855 498 HD3 LYS 61 HD1 LYS 61 -10.476 -3.019 -8.040 499 HE2 LYS 61 HE2 LYS 61 -10.101 -4.129 -5.275 500 HE3 LYS 61 HE1 LYS 61 -10.557 -5.132 -6.653 501 HZ1 LYS 61 HZ1 LYS 61 -8.127 -5.059 -6.134 502 HZ2 LYS 61 HZ2 LYS 61 -8.117 -3.432 -6.621 503 HZ3 LYS 61 HZ3 LYS 61 -8.526 -4.648 -7.729 504 H ARG 62 HN ARG 62 -12.443 0.071 -2.993 505 HA ARG 62 HA ARG 62 -11.686 -1.095 -0.531 506 HB2 ARG 62 HB2 ARG 62 -13.331 1.378 -1.066 507 HB3 ARG 62 HB1 ARG 62 -12.676 0.929 0.503 508 HG2 ARG 62 HG2 ARG 62 -10.407 1.038 -0.450 509 HG3 ARG 62 HG1 ARG 62 -11.103 1.587 -1.975 510 HD2 ARG 62 HD2 ARG 62 -11.271 2.987 0.689 511 HD3 ARG 62 HD1 ARG 62 -10.293 3.478 -0.692 512 HE ARG 62 HE ARG 62 -13.216 3.333 -0.974 513 HH11 ARG 62 HH11 ARG 62 -10.258 5.204 -0.967 514 HH12 ARG 62 HH12 ARG 62 -11.036 6.678 -1.444 515 HH21 ARG 62 HH21 ARG 62 -14.247 5.252 -1.635 516 HH22 ARG 62 HH22 ARG 62 -13.317 6.712 -1.845 517 H GLU 63 HN GLU 63 -14.893 -0.458 -1.943 518 HA GLU 63 HA GLU 63 -16.266 -1.505 0.323 519 HB2 GLU 63 HB2 GLU 63 -18.271 -1.477 -1.164 520 HB3 GLU 63 HB1 GLU 63 -17.439 0.064 -1.026 521 HG2 GLU 63 HG2 GLU 63 -16.396 -0.289 -3.192 522 HG3 GLU 63 HG1 GLU 63 -17.186 -1.860 -3.325 523 H ILE 64 HN ILE 64 -15.129 -2.868 -2.710 524 HA ILE 64 HA ILE 64 -16.345 -5.406 -2.394 525 HB ILE 64 HB ILE 64 -13.862 -4.574 -3.898 526 HG12 ILE 64 HG12 ILE 64 -15.967 -3.692 -4.776 527 HG13 ILE 64 HG11 ILE 64 -15.293 -4.892 -5.873 528 HG21 ILE 64 HG21 ILE 64 -15.224 -7.265 -3.936 529 HG22 ILE 64 HG22 ILE 64 -13.623 -6.917 -3.284 530 HG23 ILE 64 HG23 ILE 64 -13.926 -6.754 -5.014 531 HD11 ILE 64 HD11 ILE 64 -17.696 -5.126 -5.665 532 HD12 ILE 64 HD12 ILE 64 -17.539 -5.350 -3.923 533 HD13 ILE 64 HD13 ILE 64 -16.871 -6.549 -5.031 534 H TYR 65 HN TYR 65 -13.329 -4.002 -1.241 535 HA TYR 65 HA TYR 65 -12.233 -6.323 -0.089 536 HB2 TYR 65 HB2 TYR 65 -10.829 -4.399 -0.350 537 HB3 TYR 65 HB1 TYR 65 -11.920 -3.397 0.600 538 HD1 TYR 65 HD2 TYR 65 -9.815 -6.471 0.933 539 HD2 TYR 65 HD1 TYR 65 -11.422 -3.013 2.821 540 HE1 TYR 65 HE2 TYR 65 -8.532 -6.991 2.966 541 HE2 TYR 65 HE1 TYR 65 -10.147 -3.524 4.858 542 HH TYR 65 HH TYR 65 -7.679 -5.931 4.935 543 H ASP 66 HN ASP 66 -14.602 -3.993 1.089 544 HA ASP 66 HA ASP 66 -14.655 -4.917 3.756 545 HB2 ASP 66 HB2 ASP 66 -16.153 -3.041 2.149 546 HB3 ASP 66 HB1 ASP 66 -17.226 -3.970 3.192 547 H ARG 67 HN ARG 67 -16.665 -5.777 0.932 548 HA ARG 67 HA ARG 67 -18.157 -7.680 2.508 549 HB2 ARG 67 HB2 ARG 67 -19.296 -8.155 0.354 550 HB3 ARG 67 HB1 ARG 67 -19.325 -6.460 0.816 551 HG2 ARG 67 HG2 ARG 67 -17.205 -6.307 -0.690 552 HG3 ARG 67 HG1 ARG 67 -17.841 -7.797 -1.392 553 HD2 ARG 67 HD2 ARG 67 -19.347 -5.219 -1.100 554 HD3 ARG 67 HD1 ARG 67 -18.587 -5.781 -2.589 555 HE ARG 67 HE ARG 67 -20.379 -7.741 -1.578 556 HH11 ARG 67 HH11 ARG 67 -20.389 -4.617 -3.150 557 HH12 ARG 67 HH12 ARG 67 -21.853 -4.929 -4.040 558 HH21 ARG 67 HH21 ARG 67 -22.305 -8.155 -2.716 559 HH22 ARG 67 HH22 ARG 67 -22.936 -6.954 -3.810 560 H TYR 68 HN TYR 68 -15.737 -7.919 -0.111 561 HA TYR 68 HA TYR 68 -15.958 -10.833 0.008 562 HB2 TYR 68 HB2 TYR 68 -16.061 -9.778 -2.196 563 HB3 TYR 68 HB1 TYR 68 -14.491 -9.028 -1.931 564 HD1 TYR 68 HD2 TYR 68 -15.995 -12.461 -1.844 565 HD2 TYR 68 HD1 TYR 68 -12.698 -10.014 -2.965 566 HE1 TYR 68 HE2 TYR 68 -14.893 -14.416 -2.849 567 HE2 TYR 68 HE1 TYR 68 -11.584 -11.961 -3.968 568 HH TYR 68 HH TYR 68 -11.589 -14.340 -3.869 569 H GLY 69 HN GLY 69 -14.071 -8.410 1.353 570 HA2 GLY 69 HA2 GLY 69 -11.560 -9.829 1.399 571 HA3 GLY 69 HA1 GLY 69 -11.966 -8.370 2.297 572 H ARG 70 HN ARG 70 -13.986 -8.988 3.799 573 HA ARG 70 HA ARG 70 -12.818 -10.323 5.964 574 HB2 ARG 70 HB2 ARG 70 -15.724 -9.658 5.488 575 HB3 ARG 70 HB1 ARG 70 -15.034 -10.131 7.034 576 HG2 ARG 70 HG2 ARG 70 -14.386 -7.650 5.457 577 HG3 ARG 70 HG1 ARG 70 -15.307 -7.744 6.958 578 HD2 ARG 70 HD2 ARG 70 -12.384 -8.370 6.575 579 HD3 ARG 70 HD1 ARG 70 -13.073 -7.014 7.465 580 HE ARG 70 HE ARG 70 -13.199 -9.839 8.296 581 HH11 ARG 70 HH11 ARG 70 -13.333 -6.416 9.044 582 HH12 ARG 70 HH12 ARG 70 -13.402 -6.675 10.761 583 HH21 ARG 70 HH21 ARG 70 -13.315 -10.174 10.543 584 HH22 ARG 70 HH22 ARG 70 -13.408 -8.804 11.615 585 H GLU 71 HN GLU 71 -14.779 -11.542 3.373 586 HA GLU 71 HA GLU 71 -15.530 -13.962 4.737 587 HB2 GLU 71 HB2 GLU 71 -15.707 -13.250 1.808 588 HB3 GLU 71 HB1 GLU 71 -16.465 -14.638 2.572 589 HG2 GLU 71 HG2 GLU 71 -17.090 -11.740 3.080 590 HG3 GLU 71 HG1 GLU 71 -18.095 -12.907 2.223 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -11.597 3.351 13.433 2 H2 MET 1 HT2 MET 1 -11.799 3.599 11.763 3 H3 MET 1 HT3 MET 1 -10.279 3.818 12.475 4 HA MET 1 HA MET 1 -10.028 1.534 12.920 5 HB2 MET 1 HB2 MET 1 -12.880 1.324 11.932 6 HB3 MET 1 HB1 MET 1 -11.821 -0.065 12.131 7 HG2 MET 1 HG2 MET 1 -11.612 0.424 14.511 8 HG3 MET 1 HG1 MET 1 -12.661 1.827 14.315 9 HE1 MET 1 HE1 MET 1 -16.075 0.174 13.361 10 HE2 MET 1 HE2 MET 1 -14.825 0.709 12.240 11 HE3 MET 1 HE3 MET 1 -15.209 1.684 13.658 12 H ALA 2 HN ALA 2 -8.635 2.627 11.264 13 HA ALA 2 HA ALA 2 -8.758 1.113 8.809 14 HB1 ALA 2 HB1 ALA 2 -10.148 2.943 8.122 15 HB2 ALA 2 HB2 ALA 2 -8.564 3.151 7.367 16 HB3 ALA 2 HB3 ALA 2 -9.007 4.119 8.774 17 H SER 3 HN SER 3 -6.765 0.280 9.066 18 HA SER 3 HA SER 3 -4.572 1.864 10.060 19 HB2 SER 3 HB2 SER 3 -4.540 -0.946 8.940 20 HB3 SER 3 HB1 SER 3 -3.299 -0.195 9.943 21 HG SER 3 HG SER 3 -5.967 -0.841 10.686 22 H TYR 4 HN TYR 4 -5.784 2.718 7.582 23 HA TYR 4 HA TYR 4 -4.277 2.003 5.303 24 HB2 TYR 4 HB2 TYR 4 -6.532 3.146 5.386 25 HB3 TYR 4 HB1 TYR 4 -5.730 4.619 5.863 26 HD1 TYR 4 HD1 TYR 4 -3.492 3.318 3.599 27 HD2 TYR 4 HD2 TYR 4 -7.421 4.939 3.734 28 HE1 TYR 4 HE1 TYR 4 -3.338 3.887 1.210 29 HE2 TYR 4 HE2 TYR 4 -7.277 5.516 1.353 30 HH TYR 4 HH TYR 4 -4.819 4.298 -0.671 31 H TYR 5 HN TYR 5 -3.859 4.528 7.758 32 HA TYR 5 HA TYR 5 -1.602 5.725 6.535 33 HB2 TYR 5 HB2 TYR 5 -1.146 6.646 8.847 34 HB3 TYR 5 HB1 TYR 5 -2.719 7.033 8.168 35 HD1 TYR 5 HD2 TYR 5 -0.946 5.103 10.733 36 HD2 TYR 5 HD1 TYR 5 -4.748 6.182 9.161 37 HE1 TYR 5 HE2 TYR 5 -2.018 4.254 12.770 38 HE2 TYR 5 HE1 TYR 5 -5.833 5.338 11.203 39 HH TYR 5 HH TYR 5 -4.105 4.604 14.027 40 H GLU 6 HN GLU 6 -2.011 2.962 8.622 41 HA GLU 6 HA GLU 6 0.749 2.608 9.225 42 HB2 GLU 6 HB2 GLU 6 -1.610 0.742 9.371 43 HB3 GLU 6 HB1 GLU 6 0.014 0.283 9.869 44 HG2 GLU 6 HG2 GLU 6 -1.567 2.567 11.003 45 HG3 GLU 6 HG1 GLU 6 -1.400 0.974 11.746 46 H ILE 7 HN ILE 7 -1.465 1.241 6.831 47 HA ILE 7 HA ILE 7 0.398 -0.658 5.850 48 HB ILE 7 HB ILE 7 -1.185 -1.095 4.057 49 HG12 ILE 7 HG12 ILE 7 -3.457 0.280 4.399 50 HG13 ILE 7 HG11 ILE 7 -2.307 1.533 4.849 51 HG21 ILE 7 HG21 ILE 7 -3.003 -1.884 5.360 52 HG22 ILE 7 HG22 ILE 7 -2.720 -0.658 6.596 53 HG23 ILE 7 HG23 ILE 7 -1.556 -1.968 6.367 54 HD11 ILE 7 HD11 ILE 7 -1.221 1.356 2.700 55 HD12 ILE 7 HD12 ILE 7 -2.954 1.623 2.481 56 HD13 ILE 7 HD13 ILE 7 -2.272 0.013 2.253 57 H LEU 8 HN LEU 8 -0.507 2.589 4.849 58 HA LEU 8 HA LEU 8 1.380 2.394 2.617 59 HB2 LEU 8 HB2 LEU 8 -0.936 3.166 2.165 60 HB3 LEU 8 HB1 LEU 8 -0.647 4.547 3.206 61 HG LEU 8 HG LEU 8 1.148 5.297 1.681 62 HD11 LEU 8 HD11 LEU 8 1.767 3.134 0.748 63 HD12 LEU 8 HD12 LEU 8 1.335 4.269 -0.529 64 HD13 LEU 8 HD13 LEU 8 0.196 3.014 -0.043 65 HD21 LEU 8 HD21 LEU 8 -1.120 6.159 1.462 66 HD22 LEU 8 HD22 LEU 8 -1.525 4.833 0.372 67 HD23 LEU 8 HD23 LEU 8 -0.329 6.036 -0.108 68 H ASP 9 HN ASP 9 0.399 5.204 4.501 69 HA ASP 9 HA ASP 9 2.684 5.740 5.942 70 HB2 ASP 9 HB2 ASP 9 3.912 5.741 3.805 71 HB3 ASP 9 HB1 ASP 9 2.825 6.976 3.177 72 H VAL 10 HN VAL 10 0.041 6.874 4.027 73 HA VAL 10 HA VAL 10 -0.167 9.294 5.691 74 HB VAL 10 HB VAL 10 -1.328 10.377 3.797 75 HG11 VAL 10 HG11 VAL 10 1.066 10.720 4.130 76 HG12 VAL 10 HG12 VAL 10 0.641 10.766 2.420 77 HG13 VAL 10 HG13 VAL 10 1.411 9.331 3.099 78 HG21 VAL 10 HG21 VAL 10 -2.171 8.378 2.672 79 HG22 VAL 10 HG22 VAL 10 -0.523 7.920 2.236 80 HG23 VAL 10 HG23 VAL 10 -1.241 9.385 1.565 81 HA PRO 11 HA PRO 11 -4.203 7.926 6.868 82 HB2 PRO 11 HB2 PRO 11 -5.404 10.251 7.462 83 HB3 PRO 11 HB1 PRO 11 -4.046 9.640 8.416 84 HG2 PRO 11 HG2 PRO 11 -4.054 11.710 6.249 85 HG3 PRO 11 HG1 PRO 11 -3.240 11.747 7.825 86 HD2 PRO 11 HD2 PRO 11 -1.978 11.086 5.501 87 HD3 PRO 11 HD1 PRO 11 -1.490 10.453 7.087 88 H ARG 12 HN ARG 12 -6.632 8.723 6.559 89 HA ARG 12 HA ARG 12 -7.138 8.234 3.759 90 HB2 ARG 12 HB2 ARG 12 -9.068 8.687 6.042 91 HB3 ARG 12 HB1 ARG 12 -9.474 8.029 4.461 92 HG2 ARG 12 HG2 ARG 12 -8.251 6.043 4.878 93 HG3 ARG 12 HG1 ARG 12 -7.507 6.738 6.321 94 HD2 ARG 12 HD2 ARG 12 -9.296 5.164 6.889 95 HD3 ARG 12 HD1 ARG 12 -9.657 6.799 7.435 96 HE ARG 12 HE ARG 12 -10.780 5.862 4.895 97 HH11 ARG 12 HH11 ARG 12 -11.238 6.858 8.229 98 HH12 ARG 12 HH12 ARG 12 -12.962 7.016 8.069 99 HH21 ARG 12 HH21 ARG 12 -13.037 6.065 4.691 100 HH22 ARG 12 HH22 ARG 12 -13.984 6.591 6.059 101 H SER 13 HN SER 13 -6.752 10.960 5.648 102 HA SER 13 HA SER 13 -8.584 12.726 4.353 103 HB2 SER 13 HB2 SER 13 -6.037 13.480 5.803 104 HB3 SER 13 HB1 SER 13 -7.483 14.467 5.578 105 HG SER 13 HG SER 13 -8.595 12.768 6.818 106 H ALA 14 HN ALA 14 -5.778 11.230 3.332 107 HA ALA 14 HA ALA 14 -4.802 13.341 1.632 108 HB1 ALA 14 HB1 ALA 14 -3.220 11.828 2.630 109 HB2 ALA 14 HB2 ALA 14 -3.230 11.576 0.890 110 HB3 ALA 14 HB3 ALA 14 -4.056 10.438 1.942 111 H SER 15 HN SER 15 -5.008 13.425 -0.578 112 HA SER 15 HA SER 15 -7.283 12.087 -1.735 113 HB2 SER 15 HB2 SER 15 -5.286 13.905 -3.088 114 HB3 SER 15 HB1 SER 15 -6.917 13.518 -3.630 115 HG SER 15 HG SER 15 -7.199 14.459 -1.197 116 H ALA 16 HN ALA 16 -7.035 11.142 -3.984 117 HA ALA 16 HA ALA 16 -5.575 8.796 -3.851 118 HB1 ALA 16 HB1 ALA 16 -7.487 9.180 -5.361 119 HB2 ALA 16 HB2 ALA 16 -6.102 8.461 -6.183 120 HB3 ALA 16 HB3 ALA 16 -6.452 10.178 -6.384 121 H ASP 17 HN ASP 17 -4.703 11.827 -5.477 122 HA ASP 17 HA ASP 17 -2.290 10.961 -6.629 123 HB2 ASP 17 HB2 ASP 17 -3.286 13.666 -5.771 124 HB3 ASP 17 HB1 ASP 17 -1.672 13.461 -6.437 125 H ASP 18 HN ASP 18 -3.041 12.128 -3.413 126 HA ASP 18 HA ASP 18 -0.341 12.466 -2.572 127 HB2 ASP 18 HB2 ASP 18 -2.411 13.525 -1.516 128 HB3 ASP 18 HB1 ASP 18 -2.696 11.966 -0.750 129 H ILE 19 HN ILE 19 -2.744 9.872 -2.153 130 HA ILE 19 HA ILE 19 -1.095 8.100 -0.745 131 HB ILE 19 HB ILE 19 -3.567 7.816 -2.363 132 HG12 ILE 19 HG12 ILE 19 -4.076 6.497 -0.146 133 HG13 ILE 19 HG11 ILE 19 -2.652 7.359 0.431 134 HG21 ILE 19 HG21 ILE 19 -2.251 5.920 -3.162 135 HG22 ILE 19 HG22 ILE 19 -3.606 5.402 -2.162 136 HG23 ILE 19 HG23 ILE 19 -1.973 5.411 -1.496 137 HD11 ILE 19 HD11 ILE 19 -5.276 8.450 -0.458 138 HD12 ILE 19 HD12 ILE 19 -3.824 9.447 -0.489 139 HD13 ILE 19 HD13 ILE 19 -4.384 8.752 1.036 140 H LYS 20 HN LYS 20 -1.586 8.519 -4.238 141 HA LYS 20 HA LYS 20 0.172 6.576 -5.159 142 HB2 LYS 20 HB2 LYS 20 -0.605 9.261 -6.252 143 HB3 LYS 20 HB1 LYS 20 0.598 8.274 -7.074 144 HG2 LYS 20 HG2 LYS 20 -1.055 6.447 -7.221 145 HG3 LYS 20 HG1 LYS 20 -2.257 7.517 -6.493 146 HD2 LYS 20 HD2 LYS 20 -2.160 9.014 -8.344 147 HD3 LYS 20 HD1 LYS 20 -0.746 8.195 -9.008 148 HE2 LYS 20 HE2 LYS 20 -3.484 6.967 -8.716 149 HE3 LYS 20 HE1 LYS 20 -2.830 7.644 -10.207 150 HZ1 LYS 20 HZ1 LYS 20 -2.556 5.271 -10.198 151 HZ2 LYS 20 HZ2 LYS 20 -1.746 5.313 -8.712 152 HZ3 LYS 20 HZ3 LYS 20 -1.028 6.000 -10.088 153 H LYS 21 HN LYS 21 0.882 9.903 -4.187 154 HA LYS 21 HA LYS 21 3.641 9.805 -4.704 155 HB2 LYS 21 HB2 LYS 21 2.176 11.851 -4.271 156 HB3 LYS 21 HB1 LYS 21 2.331 11.477 -2.562 157 HG2 LYS 21 HG2 LYS 21 3.915 13.203 -3.340 158 HG3 LYS 21 HG1 LYS 21 4.708 11.785 -2.647 159 HD2 LYS 21 HD2 LYS 21 4.311 11.413 -5.470 160 HD3 LYS 21 HD1 LYS 21 5.153 12.936 -5.171 161 HE2 LYS 21 HE2 LYS 21 5.993 10.385 -3.840 162 HE3 LYS 21 HE1 LYS 21 6.557 10.812 -5.452 163 HZ1 LYS 21 HZ1 LYS 21 7.563 12.783 -4.600 164 HZ2 LYS 21 HZ2 LYS 21 8.069 11.496 -3.613 165 HZ3 LYS 21 HZ3 LYS 21 6.866 12.560 -3.068 166 H ALA 22 HN ALA 22 1.707 8.854 -1.952 167 HA ALA 22 HA ALA 22 3.796 8.566 -0.079 168 HB1 ALA 22 HB1 ALA 22 1.162 7.114 -0.105 169 HB2 ALA 22 HB2 ALA 22 1.406 8.745 0.512 170 HB3 ALA 22 HB3 ALA 22 2.216 7.382 1.283 171 H TYR 23 HN TYR 23 2.268 6.167 -2.281 172 HA TYR 23 HA TYR 23 3.875 4.069 -1.264 173 HB2 TYR 23 HB2 TYR 23 3.210 2.696 -3.130 174 HB3 TYR 23 HB1 TYR 23 1.816 3.527 -2.474 175 HD1 TYR 23 HD1 TYR 23 4.351 4.018 -5.201 176 HD2 TYR 23 HD2 TYR 23 0.290 4.301 -3.987 177 HE1 TYR 23 HE1 TYR 23 3.722 4.678 -7.486 178 HE2 TYR 23 HE2 TYR 23 -0.346 4.976 -6.259 179 HH TYR 23 HH TYR 23 1.768 4.718 -8.927 180 H ARG 24 HN ARG 24 4.322 6.398 -3.849 181 HA ARG 24 HA ARG 24 6.619 5.319 -5.005 182 HB2 ARG 24 HB2 ARG 24 5.812 8.209 -4.632 183 HB3 ARG 24 HB1 ARG 24 7.200 7.702 -5.584 184 HG2 ARG 24 HG2 ARG 24 5.783 6.522 -7.113 185 HG3 ARG 24 HG1 ARG 24 4.369 6.842 -6.102 186 HD2 ARG 24 HD2 ARG 24 4.385 8.395 -7.934 187 HD3 ARG 24 HD1 ARG 24 4.731 9.252 -6.429 188 HE ARG 24 HE ARG 24 7.124 9.173 -7.119 189 HH11 ARG 24 HH11 ARG 24 4.605 8.877 -9.534 190 HH12 ARG 24 HH12 ARG 24 5.587 9.503 -10.824 191 HH21 ARG 24 HH21 ARG 24 8.411 10.010 -8.804 192 HH22 ARG 24 HH22 ARG 24 7.765 10.135 -10.413 193 H ARG 25 HN ARG 25 6.328 7.453 -2.155 194 HA ARG 25 HA ARG 25 9.132 7.735 -1.834 195 HB2 ARG 25 HB2 ARG 25 8.687 8.831 0.211 196 HB3 ARG 25 HB1 ARG 25 7.351 9.249 -0.847 197 HG2 ARG 25 HG2 ARG 25 5.973 7.534 0.260 198 HG3 ARG 25 HG1 ARG 25 7.314 7.203 1.358 199 HD2 ARG 25 HD2 ARG 25 5.776 9.779 1.076 200 HD3 ARG 25 HD1 ARG 25 5.764 8.676 2.451 201 HE ARG 25 HE ARG 25 8.330 9.843 1.738 202 HH11 ARG 25 HH11 ARG 25 5.554 9.828 3.877 203 HH12 ARG 25 HH12 ARG 25 6.300 10.873 5.054 204 HH21 ARG 25 HH21 ARG 25 9.312 11.211 3.262 205 HH22 ARG 25 HH22 ARG 25 8.439 11.679 4.696 206 H LYS 26 HN LYS 26 6.784 5.424 -0.597 207 HA LYS 26 HA LYS 26 8.568 4.063 1.131 208 HB2 LYS 26 HB2 LYS 26 6.230 3.703 1.421 209 HB3 LYS 26 HB1 LYS 26 6.028 3.211 -0.254 210 HG2 LYS 26 HG2 LYS 26 7.170 1.156 0.133 211 HG3 LYS 26 HG1 LYS 26 7.663 1.672 1.747 212 HD2 LYS 26 HD2 LYS 26 4.778 1.457 0.961 213 HD3 LYS 26 HD1 LYS 26 5.680 0.064 1.570 214 HE2 LYS 26 HE2 LYS 26 6.243 1.371 3.595 215 HE3 LYS 26 HE1 LYS 26 5.244 2.692 2.995 216 HZ1 LYS 26 HZ1 LYS 26 4.194 -0.043 3.479 217 HZ2 LYS 26 HZ2 LYS 26 3.309 1.376 3.201 218 HZ3 LYS 26 HZ3 LYS 26 4.163 1.183 4.648 219 H ALA 27 HN ALA 27 7.748 3.713 -2.277 220 HA ALA 27 HA ALA 27 9.153 1.401 -2.899 221 HB1 ALA 27 HB1 ALA 27 9.016 3.802 -4.705 222 HB2 ALA 27 HB2 ALA 27 7.639 2.747 -4.400 223 HB3 ALA 27 HB3 ALA 27 9.093 2.098 -5.157 224 H LEU 28 HN LEU 28 10.326 4.736 -2.683 225 HA LEU 28 HA LEU 28 13.006 4.148 -3.383 226 HB2 LEU 28 HB2 LEU 28 11.727 6.428 -1.918 227 HB3 LEU 28 HB1 LEU 28 13.472 6.298 -1.994 228 HG LEU 28 HG LEU 28 12.999 7.732 -3.741 229 HD11 LEU 28 HD11 LEU 28 14.381 5.910 -4.549 230 HD12 LEU 28 HD12 LEU 28 13.339 6.524 -5.831 231 HD13 LEU 28 HD13 LEU 28 12.942 5.008 -5.022 232 HD21 LEU 28 HD21 LEU 28 10.621 7.669 -3.697 233 HD22 LEU 28 HD22 LEU 28 10.601 6.029 -4.343 234 HD23 LEU 28 HD23 LEU 28 11.146 7.368 -5.354 235 H GLN 29 HN GLN 29 11.264 4.058 -0.331 236 HA GLN 29 HA GLN 29 13.483 3.880 1.382 237 HB2 GLN 29 HB2 GLN 29 11.207 4.375 2.155 238 HB3 GLN 29 HB1 GLN 29 10.714 2.733 1.765 239 HG2 GLN 29 HG2 GLN 29 11.120 3.046 4.159 240 HG3 GLN 29 HG1 GLN 29 12.197 1.844 3.447 241 HE21 GLN 29 HE21 GLN 29 13.736 2.057 5.049 242 HE22 GLN 29 HE22 GLN 29 14.732 3.465 5.202 243 H TRP 30 HN TRP 30 11.798 1.331 -0.438 244 HA TRP 30 HA TRP 30 13.710 -0.591 0.706 245 HB2 TRP 30 HB2 TRP 30 12.241 -2.371 -0.262 246 HB3 TRP 30 HB1 TRP 30 11.485 -1.405 0.995 247 HD1 TRP 30 HD1 TRP 30 9.253 -0.244 0.417 248 HE1 TRP 30 HE1 TRP 30 7.772 -0.112 -1.679 249 HE3 TRP 30 HE3 TRP 30 12.459 -2.310 -2.995 250 HZ2 TRP 30 HZ2 TRP 30 7.929 -0.790 -4.407 251 HZ3 TRP 30 HZ3 TRP 30 11.710 -2.535 -5.324 252 HH2 TRP 30 HH2 TRP 30 9.490 -1.791 -6.017 253 H HIS 31 HN HIS 31 13.834 1.448 -1.600 254 HA HIS 31 HA HIS 31 14.445 -0.087 -3.929 255 HB2 HIS 31 HB2 HIS 31 13.789 2.415 -3.714 256 HB3 HIS 31 HB1 HIS 31 15.476 2.683 -3.309 257 HD1 HIS 31 HD1 HIS 31 16.994 3.108 -5.207 258 HD2 HIS 31 HD2 HIS 31 13.466 1.246 -6.407 259 HE1 HIS 31 HE1 HIS 31 17.074 3.046 -7.726 260 HE2 HIS 31 HE2 HIS 31 14.894 1.993 -8.439 261 HA PRO 32 HA PRO 32 18.162 -1.993 -2.881 262 HB2 PRO 32 HB2 PRO 32 19.680 -1.604 -5.164 263 HB3 PRO 32 HB1 PRO 32 18.445 -2.851 -4.957 264 HG2 PRO 32 HG2 PRO 32 18.210 -0.145 -6.226 265 HG3 PRO 32 HG1 PRO 32 17.583 -1.703 -6.791 266 HD2 PRO 32 HD2 PRO 32 15.949 0.004 -5.620 267 HD3 PRO 32 HD1 PRO 32 15.863 -1.721 -5.193 268 H ASP 33 HN ASP 33 18.576 1.288 -4.102 269 HA ASP 33 HA ASP 33 21.274 1.525 -3.230 270 HB2 ASP 33 HB2 ASP 33 21.061 3.875 -3.669 271 HB3 ASP 33 HB1 ASP 33 20.262 2.991 -4.959 272 H LYS 34 HN LYS 34 18.179 1.988 -1.701 273 HA LYS 34 HA LYS 34 19.402 3.017 0.739 274 HB2 LYS 34 HB2 LYS 34 16.651 2.819 -0.308 275 HB3 LYS 34 HB1 LYS 34 16.807 2.555 1.420 276 HG2 LYS 34 HG2 LYS 34 16.315 4.852 1.062 277 HG3 LYS 34 HG1 LYS 34 17.998 4.735 1.579 278 HD2 LYS 34 HD2 LYS 34 18.760 5.010 -0.686 279 HD3 LYS 34 HD1 LYS 34 17.101 4.967 -1.288 280 HE2 LYS 34 HE2 LYS 34 17.827 7.249 -1.225 281 HE3 LYS 34 HE1 LYS 34 16.626 7.008 0.041 282 HZ1 LYS 34 HZ1 LYS 34 18.398 8.288 0.935 283 HZ2 LYS 34 HZ2 LYS 34 19.570 7.204 0.369 284 HZ3 LYS 34 HZ3 LYS 34 18.523 6.741 1.617 285 H ASN 35 HN ASN 35 17.595 0.171 -0.369 286 HA ASN 35 HA ASN 35 18.283 -1.223 2.134 287 HB2 ASN 35 HB2 ASN 35 15.876 -1.066 1.305 288 HB3 ASN 35 HB1 ASN 35 16.349 -2.088 -0.048 289 HD21 ASN 35 HD21 ASN 35 15.019 -3.733 0.478 290 HD22 ASN 35 HD22 ASN 35 15.254 -4.749 1.855 291 HA PRO 36 HA PRO 36 21.357 -3.077 -0.360 292 HB2 PRO 36 HB2 PRO 36 22.630 -4.431 1.624 293 HB3 PRO 36 HB1 PRO 36 22.693 -2.680 1.427 294 HG2 PRO 36 HG2 PRO 36 21.349 -4.258 3.480 295 HG3 PRO 36 HG1 PRO 36 21.707 -2.526 3.457 296 HD2 PRO 36 HD2 PRO 36 19.214 -3.883 2.851 297 HD3 PRO 36 HD1 PRO 36 19.519 -2.145 3.025 298 H ASP 37 HN ASP 37 21.503 -5.737 1.830 299 HA ASP 37 HA ASP 37 21.416 -7.459 -0.497 300 HB2 ASP 37 HB2 ASP 37 23.290 -7.622 1.069 301 HB3 ASP 37 HB1 ASP 37 22.179 -8.053 2.359 302 H ASN 38 HN ASN 38 19.194 -6.508 1.806 303 HA ASN 38 HA ASN 38 17.839 -9.094 1.862 304 HB2 ASN 38 HB2 ASN 38 18.093 -7.699 3.951 305 HB3 ASN 38 HB1 ASN 38 17.006 -6.523 3.219 306 HD21 ASN 38 HD21 ASN 38 16.773 -8.182 5.644 307 HD22 ASN 38 HD22 ASN 38 15.284 -9.047 5.464 308 H LYS 39 HN LYS 39 16.905 -9.397 -0.085 309 HA LYS 39 HA LYS 39 15.336 -7.230 -1.260 310 HB2 LYS 39 HB2 LYS 39 16.206 -9.921 -2.295 311 HB3 LYS 39 HB1 LYS 39 15.001 -8.952 -3.129 312 HG2 LYS 39 HG2 LYS 39 17.027 -8.505 -4.213 313 HG3 LYS 39 HG1 LYS 39 16.727 -7.101 -3.193 314 HD2 LYS 39 HD2 LYS 39 18.276 -8.010 -1.513 315 HD3 LYS 39 HD1 LYS 39 18.581 -9.396 -2.561 316 HE2 LYS 39 HE2 LYS 39 19.173 -6.510 -3.209 317 HE3 LYS 39 HE1 LYS 39 20.357 -7.738 -2.760 318 HZ1 LYS 39 HZ1 LYS 39 20.331 -7.454 -5.134 319 HZ2 LYS 39 HZ2 LYS 39 18.664 -7.732 -5.204 320 HZ3 LYS 39 HZ3 LYS 39 19.714 -8.988 -4.759 321 H GLU 40 HN GLU 40 14.999 -9.993 0.657 322 HA GLU 40 HA GLU 40 12.490 -11.001 0.019 323 HB2 GLU 40 HB2 GLU 40 14.085 -11.971 1.672 324 HB3 GLU 40 HB1 GLU 40 13.704 -10.658 2.774 325 HG2 GLU 40 HG2 GLU 40 12.481 -12.540 3.491 326 HG3 GLU 40 HG1 GLU 40 11.327 -11.439 2.741 327 H PHE 41 HN PHE 41 13.372 -8.355 2.224 328 HA PHE 41 HA PHE 41 10.677 -7.656 2.833 329 HB2 PHE 41 HB2 PHE 41 13.324 -6.400 3.349 330 HB3 PHE 41 HB1 PHE 41 11.869 -5.426 3.505 331 HD1 PHE 41 HD2 PHE 41 10.119 -6.068 5.129 332 HD2 PHE 41 HD1 PHE 41 13.905 -7.999 4.993 333 HE1 PHE 41 HE2 PHE 41 9.745 -6.946 7.396 334 HE2 PHE 41 HE1 PHE 41 13.540 -8.881 7.259 335 HZ PHE 41 HZ PHE 41 11.459 -8.353 8.464 336 H ALA 42 HN ALA 42 13.014 -6.493 0.461 337 HA ALA 42 HA ALA 42 11.636 -4.131 -0.195 338 HB1 ALA 42 HB1 ALA 42 13.618 -5.765 -1.771 339 HB2 ALA 42 HB2 ALA 42 13.930 -4.303 -0.819 340 HB3 ALA 42 HB3 ALA 42 12.988 -4.209 -2.311 341 H GLU 43 HN GLU 43 11.555 -7.369 -1.721 342 HA GLU 43 HA GLU 43 9.570 -6.577 -3.614 343 HB2 GLU 43 HB2 GLU 43 9.330 -8.966 -4.127 344 HB3 GLU 43 HB1 GLU 43 11.001 -8.433 -4.163 345 HG2 GLU 43 HG2 GLU 43 11.376 -9.442 -1.978 346 HG3 GLU 43 HG1 GLU 43 9.691 -9.963 -1.928 347 H LYS 44 HN LYS 44 9.486 -8.034 -0.418 348 HA LYS 44 HA LYS 44 6.763 -8.795 -0.487 349 HB2 LYS 44 HB2 LYS 44 8.761 -9.317 1.207 350 HB3 LYS 44 HB1 LYS 44 7.996 -8.013 2.102 351 HG2 LYS 44 HG2 LYS 44 7.204 -10.240 2.785 352 HG3 LYS 44 HG1 LYS 44 5.909 -9.214 2.162 353 HD2 LYS 44 HD2 LYS 44 5.795 -11.548 1.324 354 HD3 LYS 44 HD1 LYS 44 5.957 -10.351 0.037 355 HE2 LYS 44 HE2 LYS 44 7.404 -12.213 -0.436 356 HE3 LYS 44 HE1 LYS 44 8.390 -10.811 -0.024 357 HZ1 LYS 44 HZ1 LYS 44 8.489 -11.754 2.282 358 HZ2 LYS 44 HZ2 LYS 44 9.310 -12.645 1.095 359 HZ3 LYS 44 HZ3 LYS 44 7.797 -13.173 1.659 360 H LYS 45 HN LYS 45 8.401 -5.833 0.562 361 HA LYS 45 HA LYS 45 6.031 -4.576 1.508 362 HB2 LYS 45 HB2 LYS 45 8.719 -3.464 0.708 363 HB3 LYS 45 HB1 LYS 45 7.403 -2.454 1.300 364 HG2 LYS 45 HG2 LYS 45 8.851 -4.640 2.763 365 HG3 LYS 45 HG1 LYS 45 8.790 -2.920 3.158 366 HD2 LYS 45 HD2 LYS 45 6.379 -3.130 3.581 367 HD3 LYS 45 HD1 LYS 45 6.485 -4.843 3.208 368 HE2 LYS 45 HE2 LYS 45 8.025 -5.149 5.082 369 HE3 LYS 45 HE1 LYS 45 7.874 -3.439 5.479 370 HZ1 LYS 45 HZ1 LYS 45 5.609 -5.362 5.424 371 HZ2 LYS 45 HZ2 LYS 45 5.554 -3.745 5.938 372 HZ3 LYS 45 HZ3 LYS 45 6.430 -4.886 6.832 373 H PHE 46 HN PHE 46 7.705 -4.671 -1.576 374 HA PHE 46 HA PHE 46 6.106 -2.858 -2.994 375 HB2 PHE 46 HB2 PHE 46 8.111 -3.752 -4.001 376 HB3 PHE 46 HB1 PHE 46 7.491 -5.396 -3.893 377 HD1 PHE 46 HD1 PHE 46 6.871 -2.115 -5.514 378 HD2 PHE 46 HD2 PHE 46 6.301 -6.329 -5.655 379 HE1 PHE 46 HE1 PHE 46 5.935 -1.910 -7.781 380 HE2 PHE 46 HE2 PHE 46 5.362 -6.133 -7.920 381 HZ PHE 46 HZ PHE 46 5.181 -3.920 -8.988 382 H LYS 47 HN LYS 47 5.676 -6.298 -2.309 383 HA LYS 47 HA LYS 47 3.245 -6.611 -3.719 384 HB2 LYS 47 HB2 LYS 47 4.681 -8.491 -3.029 385 HB3 LYS 47 HB1 LYS 47 4.298 -8.162 -1.345 386 HG2 LYS 47 HG2 LYS 47 1.937 -8.652 -1.802 387 HG3 LYS 47 HG1 LYS 47 2.357 -9.026 -3.475 388 HD2 LYS 47 HD2 LYS 47 3.831 -10.819 -2.702 389 HD3 LYS 47 HD1 LYS 47 3.403 -10.450 -1.030 390 HE2 LYS 47 HE2 LYS 47 1.062 -10.976 -1.523 391 HE3 LYS 47 HE1 LYS 47 1.499 -11.356 -3.187 392 HZ1 LYS 47 HZ1 LYS 47 2.896 -13.152 -2.379 393 HZ2 LYS 47 HZ2 LYS 47 1.303 -13.345 -1.826 394 HZ3 LYS 47 HZ3 LYS 47 2.499 -12.775 -0.773 395 H GLU 48 HN GLU 48 3.988 -5.817 -0.350 396 HA GLU 48 HA GLU 48 1.358 -5.899 0.640 397 HB2 GLU 48 HB2 GLU 48 3.811 -4.406 1.556 398 HB3 GLU 48 HB1 GLU 48 2.286 -4.322 2.422 399 HG2 GLU 48 HG2 GLU 48 2.366 -6.754 2.758 400 HG3 GLU 48 HG1 GLU 48 3.919 -6.801 1.924 401 H VAL 49 HN VAL 49 3.268 -3.208 -0.700 402 HA VAL 49 HA VAL 49 1.215 -1.300 -0.173 403 HB VAL 49 HB VAL 49 3.522 -0.566 -0.322 404 HG11 VAL 49 HG11 VAL 49 4.671 -0.390 -2.477 405 HG12 VAL 49 HG12 VAL 49 3.370 -1.323 -3.204 406 HG13 VAL 49 HG13 VAL 49 4.394 -2.059 -1.981 407 HG21 VAL 49 HG21 VAL 49 3.203 1.416 -1.633 408 HG22 VAL 49 HG22 VAL 49 1.686 1.002 -0.834 409 HG23 VAL 49 HG23 VAL 49 1.909 0.642 -2.545 410 H ALA 50 HN ALA 50 2.085 -3.269 -2.977 411 HA ALA 50 HA ALA 50 0.570 -1.861 -4.875 412 HB1 ALA 50 HB1 ALA 50 1.127 -4.821 -4.874 413 HB2 ALA 50 HB2 ALA 50 2.280 -3.592 -5.382 414 HB3 ALA 50 HB3 ALA 50 0.772 -3.802 -6.270 415 H GLU 51 HN GLU 51 -0.292 -4.636 -2.819 416 HA GLU 51 HA GLU 51 -2.943 -4.820 -3.863 417 HB2 GLU 51 HB2 GLU 51 -3.354 -6.381 -2.009 418 HB3 GLU 51 HB1 GLU 51 -1.871 -6.765 -2.868 419 HG2 GLU 51 HG2 GLU 51 -0.568 -5.706 -1.091 420 HG3 GLU 51 HG1 GLU 51 -2.057 -5.313 -0.241 421 H ALA 52 HN ALA 52 -1.506 -3.314 -1.023 422 HA ALA 52 HA ALA 52 -3.993 -2.724 0.227 423 HB1 ALA 52 HB1 ALA 52 -1.787 -3.057 1.370 424 HB2 ALA 52 HB2 ALA 52 -2.716 -1.652 1.904 425 HB3 ALA 52 HB3 ALA 52 -1.341 -1.442 0.816 426 H TYR 53 HN TYR 53 -1.750 -0.872 -1.781 427 HA TYR 53 HA TYR 53 -3.135 1.595 -1.440 428 HB2 TYR 53 HB2 TYR 53 -1.128 2.230 -2.234 429 HB3 TYR 53 HB1 TYR 53 -0.802 0.643 -2.914 430 HD1 TYR 53 HD1 TYR 53 -2.801 3.725 -3.595 431 HD2 TYR 53 HD2 TYR 53 -0.666 0.426 -5.218 432 HE1 TYR 53 HE1 TYR 53 -3.115 4.630 -5.847 433 HE2 TYR 53 HE2 TYR 53 -0.977 1.333 -7.484 434 HH TYR 53 HH TYR 53 -2.465 2.839 -8.679 435 H GLU 54 HN GLU 54 -3.187 -0.963 -3.872 436 HA GLU 54 HA GLU 54 -4.809 0.278 -5.769 437 HB2 GLU 54 HB2 GLU 54 -3.556 -2.112 -5.586 438 HB3 GLU 54 HB1 GLU 54 -5.216 -2.625 -5.324 439 HG2 GLU 54 HG2 GLU 54 -4.222 -1.064 -7.696 440 HG3 GLU 54 HG1 GLU 54 -4.530 -2.797 -7.667 441 H VAL 55 HN VAL 55 -5.741 -1.839 -3.054 442 HA VAL 55 HA VAL 55 -8.521 -1.641 -3.598 443 HB VAL 55 HB VAL 55 -7.626 -3.565 -2.400 444 HG11 VAL 55 HG11 VAL 55 -6.934 -3.410 -0.055 445 HG12 VAL 55 HG12 VAL 55 -7.074 -1.654 -0.135 446 HG13 VAL 55 HG13 VAL 55 -5.866 -2.486 -1.113 447 HG21 VAL 55 HG21 VAL 55 -9.966 -3.022 -2.095 448 HG22 VAL 55 HG22 VAL 55 -9.564 -1.956 -0.748 449 HG23 VAL 55 HG23 VAL 55 -9.297 -3.694 -0.607 450 H LEU 56 HN LEU 56 -6.410 0.046 -1.284 451 HA LEU 56 HA LEU 56 -8.591 1.378 -0.008 452 HB2 LEU 56 HB2 LEU 56 -5.630 1.458 0.197 453 HB3 LEU 56 HB1 LEU 56 -6.545 2.773 0.901 454 HG LEU 56 HG LEU 56 -7.180 -0.074 1.606 455 HD11 LEU 56 HD11 LEU 56 -5.700 0.367 3.612 456 HD12 LEU 56 HD12 LEU 56 -5.010 1.701 2.671 457 HD13 LEU 56 HD13 LEU 56 -4.880 0.039 2.085 458 HD21 LEU 56 HD21 LEU 56 -8.689 1.880 2.199 459 HD22 LEU 56 HD22 LEU 56 -7.385 2.418 3.268 460 HD23 LEU 56 HD23 LEU 56 -8.160 0.855 3.535 461 H SER 57 HN SER 57 -6.495 2.210 -2.686 462 HA SER 57 HA SER 57 -7.101 5.029 -2.505 463 HB2 SER 57 HB2 SER 57 -4.950 4.156 -3.447 464 HB3 SER 57 HB1 SER 57 -5.859 3.548 -4.831 465 HG SER 57 HG SER 57 -6.595 5.805 -5.066 466 H ASP 58 HN ASP 58 -8.630 2.274 -3.818 467 HA ASP 58 HA ASP 58 -10.240 3.984 -5.599 468 HB2 ASP 58 HB2 ASP 58 -8.921 2.025 -6.609 469 HB3 ASP 58 HB1 ASP 58 -10.092 0.984 -5.804 470 H LYS 59 HN LYS 59 -12.340 4.178 -5.208 471 HA LYS 59 HA LYS 59 -13.264 3.396 -2.625 472 HB2 LYS 59 HB2 LYS 59 -14.677 4.810 -4.890 473 HB3 LYS 59 HB1 LYS 59 -15.395 4.529 -3.309 474 HG2 LYS 59 HG2 LYS 59 -14.592 6.739 -3.275 475 HG3 LYS 59 HG1 LYS 59 -13.435 5.793 -2.340 476 HD2 LYS 59 HD2 LYS 59 -12.107 5.594 -4.503 477 HD3 LYS 59 HD1 LYS 59 -13.148 6.872 -5.127 478 HE2 LYS 59 HE2 LYS 59 -11.446 7.082 -2.642 479 HE3 LYS 59 HE1 LYS 59 -11.012 7.732 -4.223 480 HZ1 LYS 59 HZ1 LYS 59 -13.083 9.081 -4.098 481 HZ2 LYS 59 HZ2 LYS 59 -11.918 9.488 -2.939 482 HZ3 LYS 59 HZ3 LYS 59 -13.274 8.571 -2.490 483 H HIS 60 HN HIS 60 -13.635 2.267 -5.845 484 HA HIS 60 HA HIS 60 -15.907 0.577 -5.408 485 HB2 HIS 60 HB2 HIS 60 -13.700 0.149 -7.443 486 HB3 HIS 60 HB1 HIS 60 -15.324 -0.521 -7.492 487 HD1 HIS 60 HD1 HIS 60 -13.338 2.455 -8.375 488 HD2 HIS 60 HD2 HIS 60 -17.340 1.341 -8.237 489 HE1 HIS 60 HE1 HIS 60 -14.571 4.168 -9.756 490 HE2 HIS 60 HE2 HIS 60 -16.961 3.367 -9.795 491 H LYS 61 HN LYS 61 -12.421 0.124 -5.281 492 HA LYS 61 HA LYS 61 -12.518 -2.661 -4.716 493 HB2 LYS 61 HB2 LYS 61 -10.377 -0.572 -4.596 494 HB3 LYS 61 HB1 LYS 61 -10.091 -2.150 -3.885 495 HG2 LYS 61 HG2 LYS 61 -9.196 -2.044 -6.134 496 HG3 LYS 61 HG1 LYS 61 -10.518 -3.206 -6.048 497 HD2 LYS 61 HD2 LYS 61 -12.036 -1.533 -7.007 498 HD3 LYS 61 HD1 LYS 61 -10.698 -0.390 -7.119 499 HE2 LYS 61 HE2 LYS 61 -10.705 -3.084 -8.459 500 HE3 LYS 61 HE1 LYS 61 -11.265 -1.612 -9.242 501 HZ1 LYS 61 HZ1 LYS 61 -8.536 -1.909 -8.101 502 HZ2 LYS 61 HZ2 LYS 61 -9.107 -0.677 -9.122 503 HZ3 LYS 61 HZ3 LYS 61 -8.915 -2.251 -9.718 504 H ARG 62 HN ARG 62 -12.265 0.249 -2.733 505 HA ARG 62 HA ARG 62 -11.952 -0.952 -0.237 506 HB2 ARG 62 HB2 ARG 62 -13.047 1.637 -1.200 507 HB3 ARG 62 HB1 ARG 62 -13.453 1.157 0.443 508 HG2 ARG 62 HG2 ARG 62 -10.674 1.435 -0.680 509 HG3 ARG 62 HG1 ARG 62 -11.483 2.572 0.401 510 HD2 ARG 62 HD2 ARG 62 -10.719 -0.282 1.015 511 HD3 ARG 62 HD1 ARG 62 -9.985 1.176 1.684 512 HE ARG 62 HE ARG 62 -12.651 1.358 2.327 513 HH11 ARG 62 HH11 ARG 62 -10.071 -0.931 2.990 514 HH12 ARG 62 HH12 ARG 62 -10.792 -1.493 4.471 515 HH21 ARG 62 HH21 ARG 62 -13.574 0.631 4.255 516 HH22 ARG 62 HH22 ARG 62 -12.784 -0.604 5.191 517 H GLU 63 HN GLU 63 -14.875 -0.369 -2.133 518 HA GLU 63 HA GLU 63 -16.693 -1.312 -0.187 519 HB2 GLU 63 HB2 GLU 63 -16.884 -1.172 -3.198 520 HB3 GLU 63 HB1 GLU 63 -18.213 -1.699 -2.174 521 HG2 GLU 63 HG2 GLU 63 -16.880 0.997 -2.112 522 HG3 GLU 63 HG1 GLU 63 -18.462 0.628 -2.799 523 H ILE 64 HN ILE 64 -14.923 -2.912 -2.795 524 HA ILE 64 HA ILE 64 -16.192 -5.418 -2.570 525 HB ILE 64 HB ILE 64 -13.438 -4.721 -3.603 526 HG12 ILE 64 HG12 ILE 64 -15.260 -3.694 -4.868 527 HG13 ILE 64 HG11 ILE 64 -14.490 -4.960 -5.818 528 HG21 ILE 64 HG21 ILE 64 -14.967 -7.305 -3.876 529 HG22 ILE 64 HG22 ILE 64 -13.472 -7.058 -2.974 530 HG23 ILE 64 HG23 ILE 64 -13.478 -6.907 -4.730 531 HD11 ILE 64 HD11 ILE 64 -16.928 -4.984 -6.039 532 HD12 ILE 64 HD12 ILE 64 -17.077 -5.255 -4.303 533 HD13 ILE 64 HD13 ILE 64 -16.316 -6.475 -5.322 534 H TYR 65 HN TYR 65 -13.235 -4.122 -1.098 535 HA TYR 65 HA TYR 65 -12.494 -6.533 0.178 536 HB2 TYR 65 HB2 TYR 65 -10.977 -4.590 -0.248 537 HB3 TYR 65 HB1 TYR 65 -11.784 -3.738 1.064 538 HD1 TYR 65 HD1 TYR 65 -9.982 -6.918 0.348 539 HD2 TYR 65 HD2 TYR 65 -10.939 -3.936 3.226 540 HE1 TYR 65 HE1 TYR 65 -8.457 -7.985 1.952 541 HE2 TYR 65 HE2 TYR 65 -9.414 -4.997 4.839 542 HH TYR 65 HH TYR 65 -7.191 -7.447 3.930 543 H ASP 66 HN ASP 66 -14.505 -3.816 1.164 544 HA ASP 66 HA ASP 66 -14.713 -4.623 3.894 545 HB2 ASP 66 HB2 ASP 66 -15.056 -2.302 3.163 546 HB3 ASP 66 HB1 ASP 66 -16.492 -2.792 2.278 547 H ARG 67 HN ARG 67 -16.803 -4.968 1.056 548 HA ARG 67 HA ARG 67 -18.879 -6.215 2.620 549 HB2 ARG 67 HB2 ARG 67 -20.210 -6.163 0.671 550 HB3 ARG 67 HB1 ARG 67 -19.266 -4.684 0.635 551 HG2 ARG 67 HG2 ARG 67 -17.665 -6.268 -0.819 552 HG3 ARG 67 HG1 ARG 67 -19.223 -7.015 -1.171 553 HD2 ARG 67 HD2 ARG 67 -18.505 -4.113 -1.539 554 HD3 ARG 67 HD1 ARG 67 -18.675 -5.312 -2.817 555 HE ARG 67 HE ARG 67 -21.043 -5.383 -2.335 556 HH11 ARG 67 HH11 ARG 67 -19.286 -2.803 -0.747 557 HH12 ARG 67 HH12 ARG 67 -20.645 -1.731 -0.708 558 HH21 ARG 67 HH21 ARG 67 -22.821 -3.969 -2.307 559 HH22 ARG 67 HH22 ARG 67 -22.661 -2.389 -1.592 560 H TYR 68 HN TYR 68 -16.503 -7.310 0.213 561 HA TYR 68 HA TYR 68 -17.608 -10.015 0.364 562 HB2 TYR 68 HB2 TYR 68 -17.047 -8.867 -1.833 563 HB3 TYR 68 HB1 TYR 68 -15.355 -9.027 -1.393 564 HD1 TYR 68 HD1 TYR 68 -18.421 -10.925 -2.195 565 HD2 TYR 68 HD2 TYR 68 -14.196 -11.076 -1.710 566 HE1 TYR 68 HE1 TYR 68 -18.391 -13.168 -3.201 567 HE2 TYR 68 HE2 TYR 68 -14.156 -13.321 -2.714 568 HH TYR 68 HH TYR 68 -15.787 -15.247 -2.987 569 H GLY 69 HN GLY 69 -15.195 -8.153 1.773 570 HA2 GLY 69 HA2 GLY 69 -13.185 -10.123 2.186 571 HA3 GLY 69 HA1 GLY 69 -13.414 -8.647 3.122 572 H ARG 70 HN ARG 70 -15.747 -8.865 4.235 573 HA ARG 70 HA ARG 70 -15.427 -10.703 6.338 574 HB2 ARG 70 HB2 ARG 70 -17.839 -9.094 5.501 575 HB3 ARG 70 HB1 ARG 70 -17.727 -10.002 7.005 576 HG2 ARG 70 HG2 ARG 70 -15.986 -7.697 6.168 577 HG3 ARG 70 HG1 ARG 70 -17.243 -7.677 7.409 578 HD2 ARG 70 HD2 ARG 70 -15.956 -9.433 8.631 579 HD3 ARG 70 HD1 ARG 70 -14.668 -9.242 7.443 580 HE ARG 70 HE ARG 70 -15.575 -6.990 9.121 581 HH11 ARG 70 HH11 ARG 70 -13.032 -9.012 7.806 582 HH12 ARG 70 HH12 ARG 70 -11.749 -8.137 8.594 583 HH21 ARG 70 HH21 ARG 70 -13.886 -5.829 10.160 584 HH22 ARG 70 HH22 ARG 70 -12.239 -6.336 9.920 585 H GLU 71 HN GLU 71 -17.020 -11.004 3.274 586 HA GLU 71 HA GLU 71 -18.718 -13.185 3.972 587 HB2 GLU 71 HB2 GLU 71 -17.695 -12.210 1.303 588 HB3 GLU 71 HB1 GLU 71 -18.859 -13.514 1.483 589 HG2 GLU 71 HG2 GLU 71 -19.234 -10.663 2.369 590 HG3 GLU 71 HG1 GLU 71 -19.970 -11.427 0.959 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -7.831 1.363 13.825 2 H2 MET 1 HT2 MET 1 -8.845 0.523 12.760 3 H3 MET 1 HT3 MET 1 -9.399 0.924 14.310 4 HA MET 1 HA MET 1 -10.392 2.412 12.783 5 HB2 MET 1 HB2 MET 1 -8.080 3.834 14.119 6 HB3 MET 1 HB1 MET 1 -9.603 4.554 13.624 7 HG2 MET 1 HG2 MET 1 -9.195 2.520 15.798 8 HG3 MET 1 HG1 MET 1 -9.584 4.227 16.000 9 HE1 MET 1 HE1 MET 1 -12.834 2.379 17.176 10 HE2 MET 1 HE2 MET 1 -11.549 3.498 17.630 11 HE3 MET 1 HE3 MET 1 -11.183 1.793 17.362 12 H ALA 2 HN ALA 2 -10.090 1.988 10.650 13 HA ALA 2 HA ALA 2 -9.435 2.320 8.518 14 HB1 ALA 2 HB1 ALA 2 -9.262 4.696 9.115 15 HB2 ALA 2 HB2 ALA 2 -8.068 4.221 7.907 16 HB3 ALA 2 HB3 ALA 2 -7.583 4.443 9.589 17 H SER 3 HN SER 3 -6.468 2.790 10.426 18 HA SER 3 HA SER 3 -4.493 1.692 10.522 19 HB2 SER 3 HB2 SER 3 -6.014 -0.595 9.249 20 HB3 SER 3 HB1 SER 3 -4.444 -0.715 10.040 21 HG SER 3 HG SER 3 -5.758 0.354 11.877 22 H TYR 4 HN TYR 4 -5.858 2.577 7.647 23 HA TYR 4 HA TYR 4 -4.135 1.347 5.762 24 HB2 TYR 4 HB2 TYR 4 -5.638 3.963 5.469 25 HB3 TYR 4 HB1 TYR 4 -4.986 2.981 4.166 26 HD1 TYR 4 HD1 TYR 4 -5.861 0.398 4.330 27 HD2 TYR 4 HD2 TYR 4 -7.904 3.842 5.773 28 HE1 TYR 4 HE1 TYR 4 -8.001 -0.806 4.166 29 HE2 TYR 4 HE2 TYR 4 -10.043 2.645 5.621 30 HH TYR 4 HH TYR 4 -10.271 -0.690 5.207 31 H TYR 5 HN TYR 5 -3.851 4.191 7.755 32 HA TYR 5 HA TYR 5 -1.746 5.441 6.369 33 HB2 TYR 5 HB2 TYR 5 -1.288 6.573 8.562 34 HB3 TYR 5 HB1 TYR 5 -2.945 6.715 7.993 35 HD1 TYR 5 HD2 TYR 5 -4.735 5.373 9.081 36 HD2 TYR 5 HD1 TYR 5 -0.777 5.497 10.630 37 HE1 TYR 5 HE2 TYR 5 -5.555 4.510 11.227 38 HE2 TYR 5 HE1 TYR 5 -1.587 4.633 12.785 39 HH TYR 5 HH TYR 5 -3.670 4.516 14.064 40 H GLU 6 HN GLU 6 -1.822 2.839 8.704 41 HA GLU 6 HA GLU 6 1.008 2.719 9.042 42 HB2 GLU 6 HB2 GLU 6 -1.220 0.820 9.713 43 HB3 GLU 6 HB1 GLU 6 0.472 0.404 9.971 44 HG2 GLU 6 HG2 GLU 6 -0.953 2.764 11.155 45 HG3 GLU 6 HG1 GLU 6 -0.576 1.261 11.999 46 H ILE 7 HN ILE 7 -1.348 1.013 7.033 47 HA ILE 7 HA ILE 7 0.523 -0.897 6.069 48 HB ILE 7 HB ILE 7 -1.191 -1.607 4.509 49 HG12 ILE 7 HG12 ILE 7 -3.492 -0.265 4.945 50 HG13 ILE 7 HG11 ILE 7 -2.348 1.064 5.079 51 HG21 ILE 7 HG21 ILE 7 -1.551 -2.561 6.578 52 HG22 ILE 7 HG22 ILE 7 -3.117 -1.818 6.231 53 HG23 ILE 7 HG23 ILE 7 -1.986 -1.024 7.325 54 HD11 ILE 7 HD11 ILE 7 -1.482 0.518 2.852 55 HD12 ILE 7 HD12 ILE 7 -3.204 0.903 2.830 56 HD13 ILE 7 HD13 ILE 7 -2.674 -0.777 2.725 57 H LEU 8 HN LEU 8 -0.646 2.185 4.856 58 HA LEU 8 HA LEU 8 1.090 1.917 2.511 59 HB2 LEU 8 HB2 LEU 8 -1.277 2.575 2.164 60 HB3 LEU 8 HB1 LEU 8 -0.994 4.012 3.127 61 HG LEU 8 HG LEU 8 0.662 4.779 1.450 62 HD11 LEU 8 HD11 LEU 8 1.307 2.602 0.571 63 HD12 LEU 8 HD12 LEU 8 0.767 3.679 -0.717 64 HD13 LEU 8 HD13 LEU 8 -0.299 2.400 -0.129 65 HD21 LEU 8 HD21 LEU 8 -1.674 5.517 1.371 66 HD22 LEU 8 HD22 LEU 8 -2.063 4.160 0.315 67 HD23 LEU 8 HD23 LEU 8 -0.959 5.420 -0.238 68 H ASP 9 HN ASP 9 0.136 4.848 4.196 69 HA ASP 9 HA ASP 9 2.472 5.525 5.509 70 HB2 ASP 9 HB2 ASP 9 3.562 5.414 3.275 71 HB3 ASP 9 HB1 ASP 9 2.431 6.626 2.679 72 H VAL 10 HN VAL 10 -0.188 6.497 3.516 73 HA VAL 10 HA VAL 10 -0.675 8.798 5.285 74 HB VAL 10 HB VAL 10 -1.899 9.855 3.411 75 HG11 VAL 10 HG11 VAL 10 0.428 10.453 3.805 76 HG12 VAL 10 HG12 VAL 10 0.054 10.492 2.080 77 HG13 VAL 10 HG13 VAL 10 0.955 9.136 2.759 78 HG21 VAL 10 HG21 VAL 10 -0.833 7.546 1.790 79 HG22 VAL 10 HG22 VAL 10 -1.621 8.979 1.128 80 HG23 VAL 10 HG23 VAL 10 -2.525 7.873 2.162 81 HA PRO 11 HA PRO 11 -4.535 6.914 6.277 82 HB2 PRO 11 HB2 PRO 11 -6.037 9.019 6.949 83 HB3 PRO 11 HB1 PRO 11 -4.601 8.585 7.884 84 HG2 PRO 11 HG2 PRO 11 -4.911 10.679 5.762 85 HG3 PRO 11 HG1 PRO 11 -4.131 10.813 7.349 86 HD2 PRO 11 HD2 PRO 11 -2.749 10.388 5.040 87 HD3 PRO 11 HD1 PRO 11 -2.200 9.794 6.621 88 H ARG 12 HN ARG 12 -7.043 7.353 5.934 89 HA ARG 12 HA ARG 12 -7.439 7.079 3.098 90 HB2 ARG 12 HB2 ARG 12 -9.837 6.743 3.742 91 HB3 ARG 12 HB1 ARG 12 -8.710 5.603 4.458 92 HG2 ARG 12 HG2 ARG 12 -8.813 6.787 6.563 93 HG3 ARG 12 HG1 ARG 12 -9.852 8.021 5.845 94 HD2 ARG 12 HD2 ARG 12 -11.581 6.356 5.441 95 HD3 ARG 12 HD1 ARG 12 -10.539 5.092 6.089 96 HE ARG 12 HE ARG 12 -10.662 6.539 8.221 97 HH11 ARG 12 HH11 ARG 12 -13.254 6.175 5.899 98 HH12 ARG 12 HH12 ARG 12 -14.514 6.309 7.091 99 HH21 ARG 12 HH21 ARG 12 -12.308 6.731 9.799 100 HH22 ARG 12 HH22 ARG 12 -13.978 6.664 9.305 101 H SER 13 HN SER 13 -7.734 9.580 5.396 102 HA SER 13 HA SER 13 -9.567 11.199 3.906 103 HB2 SER 13 HB2 SER 13 -8.713 12.965 5.602 104 HB3 SER 13 HB1 SER 13 -9.643 11.594 6.206 105 HG SER 13 HG SER 13 -7.259 12.339 6.977 106 H ALA 14 HN ALA 14 -6.506 10.346 3.226 107 HA ALA 14 HA ALA 14 -5.516 12.925 2.362 108 HB1 ALA 14 HB1 ALA 14 -3.525 11.836 1.768 109 HB2 ALA 14 HB2 ALA 14 -4.311 10.266 1.655 110 HB3 ALA 14 HB3 ALA 14 -4.066 11.016 3.234 111 H SER 15 HN SER 15 -5.245 13.580 0.248 112 HA SER 15 HA SER 15 -7.278 12.760 -1.574 113 HB2 SER 15 HB2 SER 15 -6.526 15.089 -1.460 114 HB3 SER 15 HB1 SER 15 -4.909 14.605 -1.961 115 HG SER 15 HG SER 15 -5.553 14.673 -3.948 116 H ALA 16 HN ALA 16 -6.810 12.151 -3.851 117 HA ALA 16 HA ALA 16 -5.648 9.639 -3.919 118 HB1 ALA 16 HB1 ALA 16 -7.294 10.445 -5.556 119 HB2 ALA 16 HB2 ALA 16 -5.885 9.720 -6.334 120 HB3 ALA 16 HB3 ALA 16 -6.056 11.474 -6.274 121 H ASP 17 HN ASP 17 -4.250 12.730 -4.904 122 HA ASP 17 HA ASP 17 -1.866 11.744 -6.006 123 HB2 ASP 17 HB2 ASP 17 -1.006 14.092 -5.478 124 HB3 ASP 17 HB1 ASP 17 -2.406 13.968 -6.536 125 H ASP 18 HN ASP 18 -2.737 12.547 -2.696 126 HA ASP 18 HA ASP 18 -0.161 12.372 -1.561 127 HB2 ASP 18 HB2 ASP 18 -2.885 11.853 -0.351 128 HB3 ASP 18 HB1 ASP 18 -1.393 11.861 0.582 129 H ILE 19 HN ILE 19 -2.707 9.959 -2.029 130 HA ILE 19 HA ILE 19 -1.381 7.822 -0.774 131 HB ILE 19 HB ILE 19 -3.611 7.960 -2.767 132 HG12 ILE 19 HG12 ILE 19 -4.684 6.638 -0.821 133 HG13 ILE 19 HG11 ILE 19 -3.285 7.173 0.102 134 HG21 ILE 19 HG21 ILE 19 -2.308 5.990 -3.427 135 HG22 ILE 19 HG22 ILE 19 -3.872 5.549 -2.744 136 HG23 ILE 19 HG23 ILE 19 -2.407 5.379 -1.776 137 HD11 ILE 19 HD11 ILE 19 -5.533 8.750 -1.021 138 HD12 ILE 19 HD12 ILE 19 -3.958 9.508 -0.805 139 HD13 ILE 19 HD13 ILE 19 -4.797 8.808 0.583 140 H LYS 20 HN LYS 20 -1.446 8.826 -4.190 141 HA LYS 20 HA LYS 20 0.071 6.662 -5.164 142 HB2 LYS 20 HB2 LYS 20 -0.229 9.464 -6.255 143 HB3 LYS 20 HB1 LYS 20 0.518 8.130 -7.127 144 HG2 LYS 20 HG2 LYS 20 -1.618 6.881 -6.935 145 HG3 LYS 20 HG1 LYS 20 -2.340 8.321 -6.216 146 HD2 LYS 20 HD2 LYS 20 -1.825 9.592 -8.239 147 HD3 LYS 20 HD1 LYS 20 -1.097 8.152 -8.957 148 HE2 LYS 20 HE2 LYS 20 -3.272 6.996 -8.754 149 HE3 LYS 20 HE1 LYS 20 -3.979 8.490 -8.138 150 HZ1 LYS 20 HZ1 LYS 20 -3.343 9.561 -10.244 151 HZ2 LYS 20 HZ2 LYS 20 -4.444 8.290 -10.458 152 HZ3 LYS 20 HZ3 LYS 20 -2.806 8.061 -10.831 153 H LYS 21 HN LYS 21 1.036 9.832 -3.938 154 HA LYS 21 HA LYS 21 3.803 9.498 -4.466 155 HB2 LYS 21 HB2 LYS 21 2.212 11.557 -3.530 156 HB3 LYS 21 HB1 LYS 21 3.168 11.127 -2.120 157 HG2 LYS 21 HG2 LYS 21 4.282 12.884 -3.311 158 HG3 LYS 21 HG1 LYS 21 5.221 11.400 -3.479 159 HD2 LYS 21 HD2 LYS 21 3.206 11.911 -5.575 160 HD3 LYS 21 HD1 LYS 21 4.593 12.999 -5.554 161 HE2 LYS 21 HE2 LYS 21 4.791 10.004 -5.558 162 HE3 LYS 21 HE1 LYS 21 4.808 10.978 -7.023 163 HZ1 LYS 21 HZ1 LYS 21 7.047 10.391 -6.236 164 HZ2 LYS 21 HZ2 LYS 21 6.766 11.258 -4.804 165 HZ3 LYS 21 HZ3 LYS 21 6.795 12.066 -6.293 166 H ALA 22 HN ALA 22 1.742 8.860 -1.672 167 HA ALA 22 HA ALA 22 3.698 7.988 0.135 168 HB1 ALA 22 HB1 ALA 22 0.942 6.809 0.043 169 HB2 ALA 22 HB2 ALA 22 1.193 8.488 0.503 170 HB3 ALA 22 HB3 ALA 22 1.940 7.198 1.447 171 H TYR 23 HN TYR 23 1.785 6.219 -2.248 172 HA TYR 23 HA TYR 23 2.751 3.656 -1.653 173 HB2 TYR 23 HB2 TYR 23 1.033 3.279 -3.036 174 HB3 TYR 23 HB1 TYR 23 1.102 4.912 -3.676 175 HD1 TYR 23 HD2 TYR 23 2.636 1.530 -4.064 176 HD2 TYR 23 HD1 TYR 23 1.777 5.288 -5.871 177 HE1 TYR 23 HE2 TYR 23 3.392 0.656 -6.235 178 HE2 TYR 23 HE1 TYR 23 2.528 4.421 -8.042 179 HH TYR 23 HH TYR 23 2.958 1.177 -8.682 180 H ARG 24 HN ARG 24 3.878 6.055 -4.023 181 HA ARG 24 HA ARG 24 5.931 4.369 -5.014 182 HB2 ARG 24 HB2 ARG 24 5.223 7.240 -5.366 183 HB3 ARG 24 HB1 ARG 24 6.821 6.690 -5.870 184 HG2 ARG 24 HG2 ARG 24 5.902 5.139 -7.391 185 HG3 ARG 24 HG1 ARG 24 4.280 5.350 -6.732 186 HD2 ARG 24 HD2 ARG 24 4.292 7.671 -7.500 187 HD3 ARG 24 HD1 ARG 24 5.889 7.422 -8.206 188 HE ARG 24 HE ARG 24 4.359 5.442 -9.298 189 HH11 ARG 24 HH11 ARG 24 4.118 8.937 -9.211 190 HH12 ARG 24 HH12 ARG 24 3.289 9.038 -10.731 191 HH21 ARG 24 HH21 ARG 24 3.302 5.553 -11.267 192 HH22 ARG 24 HH22 ARG 24 2.830 7.094 -11.923 193 H ARG 25 HN ARG 25 5.942 6.924 -2.536 194 HA ARG 25 HA ARG 25 8.741 6.895 -2.182 195 HB2 ARG 25 HB2 ARG 25 8.384 7.965 -0.035 196 HB3 ARG 25 HB1 ARG 25 7.321 8.672 -1.240 197 HG2 ARG 25 HG2 ARG 25 5.452 7.394 -0.367 198 HG3 ARG 25 HG1 ARG 25 6.513 6.625 0.814 199 HD2 ARG 25 HD2 ARG 25 5.227 8.441 1.815 200 HD3 ARG 25 HD1 ARG 25 6.957 8.782 1.843 201 HE ARG 25 HE ARG 25 6.402 10.141 -0.280 202 HH11 ARG 25 HH11 ARG 25 4.201 9.709 2.423 203 HH12 ARG 25 HH12 ARG 25 3.496 11.295 2.262 204 HH21 ARG 25 HH21 ARG 25 5.451 12.202 -0.506 205 HH22 ARG 25 HH22 ARG 25 4.196 12.705 0.588 206 H LYS 26 HN LYS 26 6.188 4.899 -0.761 207 HA LYS 26 HA LYS 26 7.883 3.463 1.003 208 HB2 LYS 26 HB2 LYS 26 5.436 3.591 1.245 209 HB3 LYS 26 HB1 LYS 26 5.240 2.699 -0.255 210 HG2 LYS 26 HG2 LYS 26 6.179 0.729 0.724 211 HG3 LYS 26 HG1 LYS 26 6.587 1.606 2.205 212 HD2 LYS 26 HD2 LYS 26 4.182 2.085 2.530 213 HD3 LYS 26 HD1 LYS 26 3.827 1.108 1.110 214 HE2 LYS 26 HE2 LYS 26 5.230 0.085 3.577 215 HE3 LYS 26 HE1 LYS 26 3.497 -0.059 3.301 216 HZ1 LYS 26 HZ1 LYS 26 5.642 -1.257 1.633 217 HZ2 LYS 26 HZ2 LYS 26 3.990 -1.357 1.302 218 HZ3 LYS 26 HZ3 LYS 26 4.615 -2.093 2.694 219 H ALA 27 HN ALA 27 6.747 2.941 -2.288 220 HA ALA 27 HA ALA 27 7.906 0.424 -2.735 221 HB1 ALA 27 HB1 ALA 27 7.540 2.522 -4.854 222 HB2 ALA 27 HB2 ALA 27 6.185 1.646 -4.151 223 HB3 ALA 27 HB3 ALA 27 7.446 0.767 -5.017 224 H LEU 28 HN LEU 28 9.157 3.693 -3.276 225 HA LEU 28 HA LEU 28 11.550 2.812 -4.535 226 HB2 LEU 28 HB2 LEU 28 10.413 5.379 -3.666 227 HB3 LEU 28 HB1 LEU 28 12.166 5.320 -3.712 228 HG LEU 28 HG LEU 28 11.980 4.544 -6.102 229 HD11 LEU 28 HD11 LEU 28 9.151 5.518 -5.955 230 HD12 LEU 28 HD12 LEU 28 9.565 3.820 -5.755 231 HD13 LEU 28 HD13 LEU 28 9.953 4.650 -7.264 232 HD21 LEU 28 HD21 LEU 28 11.509 6.773 -6.978 233 HD22 LEU 28 HD22 LEU 28 12.505 6.858 -5.523 234 HD23 LEU 28 HD23 LEU 28 10.783 7.231 -5.438 235 H GLN 29 HN GLN 29 10.741 3.650 -1.194 236 HA GLN 29 HA GLN 29 13.430 3.736 -0.297 237 HB2 GLN 29 HB2 GLN 29 10.807 3.438 1.134 238 HB3 GLN 29 HB1 GLN 29 12.340 3.376 1.997 239 HG2 GLN 29 HG2 GLN 29 12.907 5.598 1.139 240 HG3 GLN 29 HG1 GLN 29 11.354 5.661 0.306 241 HE21 GLN 29 HE21 GLN 29 12.956 5.685 3.396 242 HE22 GLN 29 HE22 GLN 29 11.620 6.318 4.305 243 H TRP 30 HN TRP 30 11.157 1.116 -0.727 244 HA TRP 30 HA TRP 30 13.238 -0.711 0.257 245 HB2 TRP 30 HB2 TRP 30 10.258 -1.057 0.034 246 HB3 TRP 30 HB1 TRP 30 11.344 -2.440 0.176 247 HD1 TRP 30 HD1 TRP 30 12.864 -2.540 2.458 248 HE1 TRP 30 HE1 TRP 30 12.311 -1.743 4.843 249 HE3 TRP 30 HE3 TRP 30 9.022 0.638 1.369 250 HZ2 TRP 30 HZ2 TRP 30 10.486 0.002 6.093 251 HZ3 TRP 30 HZ3 TRP 30 7.924 1.838 3.216 252 HH2 TRP 30 HH2 TRP 30 8.642 1.525 5.530 253 H HIS 31 HN HIS 31 12.790 0.709 -2.399 254 HA HIS 31 HA HIS 31 12.637 -1.403 -4.332 255 HB2 HIS 31 HB2 HIS 31 12.174 1.045 -4.764 256 HB3 HIS 31 HB1 HIS 31 13.895 1.349 -4.581 257 HD1 HIS 31 HD1 HIS 31 11.415 -0.271 -6.900 258 HD2 HIS 31 HD2 HIS 31 15.425 0.815 -6.816 259 HE1 HIS 31 HE1 HIS 31 12.235 -0.525 -9.264 260 HE2 HIS 31 HE2 HIS 31 14.693 0.046 -9.177 261 HA PRO 32 HA PRO 32 16.493 -3.371 -3.710 262 HB2 PRO 32 HB2 PRO 32 17.300 -3.725 -6.353 263 HB3 PRO 32 HB1 PRO 32 16.223 -4.797 -5.450 264 HG2 PRO 32 HG2 PRO 32 15.545 -2.597 -7.361 265 HG3 PRO 32 HG1 PRO 32 14.799 -4.193 -7.181 266 HD2 PRO 32 HD2 PRO 32 13.596 -2.041 -6.205 267 HD3 PRO 32 HD1 PRO 32 13.610 -3.555 -5.272 268 H ASP 33 HN ASP 33 16.463 -0.666 -5.909 269 HA ASP 33 HA ASP 33 19.251 -0.201 -5.950 270 HB2 ASP 33 HB2 ASP 33 17.711 0.667 -7.655 271 HB3 ASP 33 HB1 ASP 33 16.947 1.692 -6.448 272 H LYS 34 HN LYS 34 16.787 0.484 -3.607 273 HA LYS 34 HA LYS 34 18.659 2.214 -2.138 274 HB2 LYS 34 HB2 LYS 34 15.673 2.417 -2.366 275 HB3 LYS 34 HB1 LYS 34 16.548 3.161 -1.048 276 HG2 LYS 34 HG2 LYS 34 16.309 4.902 -2.524 277 HG3 LYS 34 HG1 LYS 34 17.915 4.298 -2.935 278 HD2 LYS 34 HD2 LYS 34 17.063 3.121 -4.819 279 HD3 LYS 34 HD1 LYS 34 15.395 3.469 -4.357 280 HE2 LYS 34 HE2 LYS 34 15.966 4.966 -6.118 281 HE3 LYS 34 HE1 LYS 34 15.919 5.902 -4.628 282 HZ1 LYS 34 HZ1 LYS 34 18.321 5.824 -4.522 283 HZ2 LYS 34 HZ2 LYS 34 17.836 6.451 -6.021 284 HZ3 LYS 34 HZ3 LYS 34 18.381 4.848 -5.910 285 H ASN 35 HN ASN 35 17.975 -0.834 -1.968 286 HA ASN 35 HA ASN 35 16.921 -0.794 0.771 287 HB2 ASN 35 HB2 ASN 35 16.404 -3.180 0.536 288 HB3 ASN 35 HB1 ASN 35 15.605 -2.213 -0.688 289 HD21 ASN 35 HD21 ASN 35 18.997 -3.046 -1.035 290 HD22 ASN 35 HD22 ASN 35 18.757 -4.186 -2.311 291 HA PRO 36 HA PRO 36 20.805 -1.897 2.418 292 HB2 PRO 36 HB2 PRO 36 20.055 -2.623 4.896 293 HB3 PRO 36 HB1 PRO 36 19.938 -0.955 4.329 294 HG2 PRO 36 HG2 PRO 36 17.800 -3.006 4.640 295 HG3 PRO 36 HG1 PRO 36 17.733 -1.258 4.921 296 HD2 PRO 36 HD2 PRO 36 16.808 -2.572 2.650 297 HD3 PRO 36 HD1 PRO 36 17.163 -0.838 2.765 298 H ASP 37 HN ASP 37 19.646 -4.151 4.626 299 HA ASP 37 HA ASP 37 21.146 -6.226 3.231 300 HB2 ASP 37 HB2 ASP 37 21.813 -5.751 5.495 301 HB3 ASP 37 HB1 ASP 37 20.170 -5.967 6.071 302 H ASN 38 HN ASN 38 17.920 -5.365 3.726 303 HA ASN 38 HA ASN 38 17.036 -8.132 3.317 304 HB2 ASN 38 HB2 ASN 38 14.773 -7.365 3.993 305 HB3 ASN 38 HB1 ASN 38 15.976 -7.181 5.261 306 HD21 ASN 38 HD21 ASN 38 16.574 -5.150 5.929 307 HD22 ASN 38 HD22 ASN 38 15.689 -3.724 5.487 308 H LYS 39 HN LYS 39 16.702 -8.658 1.288 309 HA LYS 39 HA LYS 39 15.627 -6.610 -0.532 310 HB2 LYS 39 HB2 LYS 39 16.698 -9.324 -1.329 311 HB3 LYS 39 HB1 LYS 39 16.395 -7.946 -2.372 312 HG2 LYS 39 HG2 LYS 39 18.694 -7.969 -2.182 313 HG3 LYS 39 HG1 LYS 39 18.219 -6.769 -0.977 314 HD2 LYS 39 HD2 LYS 39 18.330 -8.543 0.755 315 HD3 LYS 39 HD1 LYS 39 18.930 -9.658 -0.472 316 HE2 LYS 39 HE2 LYS 39 20.875 -8.234 -0.826 317 HE3 LYS 39 HE1 LYS 39 20.268 -7.094 0.377 318 HZ1 LYS 39 HZ1 LYS 39 21.929 -8.546 1.340 319 HZ2 LYS 39 HZ2 LYS 39 21.040 -9.920 0.886 320 HZ3 LYS 39 HZ3 LYS 39 20.418 -8.851 2.044 321 H GLU 40 HN GLU 40 15.098 -9.719 0.911 322 HA GLU 40 HA GLU 40 12.793 -10.477 -0.525 323 HB2 GLU 40 HB2 GLU 40 14.388 -11.437 1.649 324 HB3 GLU 40 HB1 GLU 40 12.700 -11.509 2.109 325 HG2 GLU 40 HG2 GLU 40 13.848 -12.694 -0.405 326 HG3 GLU 40 HG1 GLU 40 13.542 -13.588 1.084 327 H PHE 41 HN PHE 41 13.276 -8.772 2.540 328 HA PHE 41 HA PHE 41 10.498 -8.380 3.006 329 HB2 PHE 41 HB2 PHE 41 12.950 -7.121 4.210 330 HB3 PHE 41 HB1 PHE 41 11.314 -6.670 4.682 331 HD1 PHE 41 HD1 PHE 41 13.745 -9.445 4.616 332 HD2 PHE 41 HD2 PHE 41 10.007 -8.043 6.091 333 HE1 PHE 41 HE1 PHE 41 13.648 -11.348 6.170 334 HE2 PHE 41 HE2 PHE 41 9.910 -9.941 7.656 335 HZ PHE 41 HZ PHE 41 11.730 -11.597 7.693 336 H ALA 42 HN ALA 42 13.024 -6.474 1.486 337 HA ALA 42 HA ALA 42 11.607 -4.073 1.198 338 HB1 ALA 42 HB1 ALA 42 13.820 -5.290 -0.438 339 HB2 ALA 42 HB2 ALA 42 13.946 -4.062 0.823 340 HB3 ALA 42 HB3 ALA 42 13.185 -3.671 -0.717 341 H GLU 43 HN GLU 43 11.884 -6.876 -0.999 342 HA GLU 43 HA GLU 43 10.102 -5.799 -2.918 343 HB2 GLU 43 HB2 GLU 43 10.027 -7.989 -3.912 344 HB3 GLU 43 HB1 GLU 43 11.679 -7.635 -3.431 345 HG2 GLU 43 HG2 GLU 43 11.768 -9.412 -2.118 346 HG3 GLU 43 HG1 GLU 43 10.235 -9.010 -1.346 347 H LYS 44 HN LYS 44 9.649 -7.759 -0.035 348 HA LYS 44 HA LYS 44 6.937 -8.388 -0.407 349 HB2 LYS 44 HB2 LYS 44 8.829 -8.890 1.540 350 HB3 LYS 44 HB1 LYS 44 7.669 -7.858 2.372 351 HG2 LYS 44 HG2 LYS 44 7.101 -10.190 2.681 352 HG3 LYS 44 HG1 LYS 44 5.860 -9.380 1.718 353 HD2 LYS 44 HD2 LYS 44 6.405 -11.572 0.783 354 HD3 LYS 44 HD1 LYS 44 6.863 -10.279 -0.327 355 HE2 LYS 44 HE2 LYS 44 9.185 -10.426 0.606 356 HE3 LYS 44 HE1 LYS 44 8.667 -11.861 1.492 357 HZ1 LYS 44 HZ1 LYS 44 8.602 -11.553 -1.462 358 HZ2 LYS 44 HZ2 LYS 44 8.173 -12.945 -0.592 359 HZ3 LYS 44 HZ3 LYS 44 9.782 -12.405 -0.591 360 H LYS 45 HN LYS 45 8.523 -5.584 1.049 361 HA LYS 45 HA LYS 45 6.177 -4.259 1.892 362 HB2 LYS 45 HB2 LYS 45 8.911 -3.206 1.156 363 HB3 LYS 45 HB1 LYS 45 7.623 -2.190 1.791 364 HG2 LYS 45 HG2 LYS 45 8.977 -4.489 3.188 365 HG3 LYS 45 HG1 LYS 45 9.082 -2.775 3.590 366 HD2 LYS 45 HD2 LYS 45 6.591 -2.837 3.960 367 HD3 LYS 45 HD1 LYS 45 6.704 -4.585 3.828 368 HE2 LYS 45 HE2 LYS 45 8.248 -4.629 5.707 369 HE3 LYS 45 HE1 LYS 45 8.151 -2.878 5.836 370 HZ1 LYS 45 HZ1 LYS 45 5.716 -3.166 6.218 371 HZ2 LYS 45 HZ2 LYS 45 6.694 -3.799 7.451 372 HZ3 LYS 45 HZ3 LYS 45 5.976 -4.840 6.319 373 H PHE 46 HN PHE 46 7.941 -4.386 -1.126 374 HA PHE 46 HA PHE 46 6.427 -2.437 -2.525 375 HB2 PHE 46 HB2 PHE 46 8.605 -3.242 -3.338 376 HB3 PHE 46 HB1 PHE 46 7.931 -4.846 -3.585 377 HD1 PHE 46 HD2 PHE 46 7.798 -1.345 -4.744 378 HD2 PHE 46 HD1 PHE 46 6.740 -5.389 -5.545 379 HE1 PHE 46 HE2 PHE 46 7.147 -0.718 -7.032 380 HE2 PHE 46 HE1 PHE 46 6.082 -4.768 -7.831 381 HZ PHE 46 HZ PHE 46 6.285 -2.430 -8.578 382 H LYS 47 HN LYS 47 6.096 -5.947 -2.142 383 HA LYS 47 HA LYS 47 3.874 -6.355 -3.781 384 HB2 LYS 47 HB2 LYS 47 5.136 -7.778 -1.541 385 HB3 LYS 47 HB1 LYS 47 3.418 -8.093 -1.709 386 HG2 LYS 47 HG2 LYS 47 4.485 -9.780 -2.926 387 HG3 LYS 47 HG1 LYS 47 3.901 -8.642 -4.137 388 HD2 LYS 47 HD2 LYS 47 6.109 -7.697 -4.368 389 HD3 LYS 47 HD1 LYS 47 6.714 -8.714 -3.058 390 HE2 LYS 47 HE2 LYS 47 6.090 -10.712 -4.418 391 HE3 LYS 47 HE1 LYS 47 5.697 -9.622 -5.748 392 HZ1 LYS 47 HZ1 LYS 47 7.931 -10.546 -5.946 393 HZ2 LYS 47 HZ2 LYS 47 8.359 -9.865 -4.453 394 HZ3 LYS 47 HZ3 LYS 47 7.981 -8.858 -5.767 395 H GLU 48 HN GLU 48 4.044 -5.388 -0.366 396 HA GLU 48 HA GLU 48 1.277 -5.468 0.170 397 HB2 GLU 48 HB2 GLU 48 3.208 -3.494 1.374 398 HB3 GLU 48 HB1 GLU 48 1.723 -4.101 2.079 399 HG2 GLU 48 HG2 GLU 48 2.696 -6.209 2.521 400 HG3 GLU 48 HG1 GLU 48 4.115 -5.829 1.538 401 H VAL 49 HN VAL 49 3.398 -2.875 -0.982 402 HA VAL 49 HA VAL 49 1.369 -0.902 -0.708 403 HB VAL 49 HB VAL 49 3.777 -0.353 -0.572 404 HG11 VAL 49 HG11 VAL 49 3.769 -0.631 -3.570 405 HG12 VAL 49 HG12 VAL 49 4.572 -1.730 -2.449 406 HG13 VAL 49 HG13 VAL 49 5.101 -0.051 -2.569 407 HG21 VAL 49 HG21 VAL 49 3.584 1.783 -1.607 408 HG22 VAL 49 HG22 VAL 49 1.995 1.311 -0.995 409 HG23 VAL 49 HG23 VAL 49 2.349 1.188 -2.716 410 H ALA 50 HN ALA 50 2.534 -2.857 -3.408 411 HA ALA 50 HA ALA 50 1.131 -1.486 -5.429 412 HB1 ALA 50 HB1 ALA 50 1.790 -4.425 -5.379 413 HB2 ALA 50 HB2 ALA 50 2.939 -3.157 -5.797 414 HB3 ALA 50 HB3 ALA 50 1.510 -3.415 -6.798 415 H GLU 51 HN GLU 51 0.217 -4.281 -3.414 416 HA GLU 51 HA GLU 51 -2.332 -4.570 -4.667 417 HB2 GLU 51 HB2 GLU 51 -2.830 -6.194 -2.929 418 HB3 GLU 51 HB1 GLU 51 -1.210 -6.463 -3.554 419 HG2 GLU 51 HG2 GLU 51 -0.243 -5.419 -1.613 420 HG3 GLU 51 HG1 GLU 51 -1.836 -4.985 -1.012 421 H ALA 52 HN ALA 52 -1.169 -2.992 -1.747 422 HA ALA 52 HA ALA 52 -3.760 -2.466 -0.695 423 HB1 ALA 52 HB1 ALA 52 -1.672 -2.715 0.638 424 HB2 ALA 52 HB2 ALA 52 -2.639 -1.291 1.039 425 HB3 ALA 52 HB3 ALA 52 -1.180 -1.120 0.061 426 H TYR 53 HN TYR 53 -1.369 -0.464 -2.432 427 HA TYR 53 HA TYR 53 -2.942 1.891 -2.278 428 HB2 TYR 53 HB2 TYR 53 -1.139 2.850 -3.200 429 HB3 TYR 53 HB1 TYR 53 -0.379 1.264 -3.192 430 HD1 TYR 53 HD2 TYR 53 -0.354 -0.100 -5.267 431 HD2 TYR 53 HD1 TYR 53 -1.852 3.880 -5.230 432 HE1 TYR 53 HE2 TYR 53 -0.181 -0.019 -7.717 433 HE2 TYR 53 HE1 TYR 53 -1.681 3.972 -7.680 434 HH TYR 53 HH TYR 53 -1.370 1.326 -9.606 435 H GLU 54 HN GLU 54 -2.772 -0.802 -4.523 436 HA GLU 54 HA GLU 54 -4.326 0.260 -6.599 437 HB2 GLU 54 HB2 GLU 54 -2.987 -1.901 -6.571 438 HB3 GLU 54 HB1 GLU 54 -4.339 -2.624 -5.712 439 HG2 GLU 54 HG2 GLU 54 -4.457 -3.152 -8.056 440 HG3 GLU 54 HG1 GLU 54 -5.804 -2.109 -7.600 441 H VAL 55 HN VAL 55 -5.323 -1.703 -3.795 442 HA VAL 55 HA VAL 55 -8.087 -1.530 -4.443 443 HB VAL 55 HB VAL 55 -7.230 -3.410 -3.149 444 HG11 VAL 55 HG11 VAL 55 -6.756 -1.424 -0.937 445 HG12 VAL 55 HG12 VAL 55 -5.519 -2.292 -1.845 446 HG13 VAL 55 HG13 VAL 55 -6.625 -3.176 -0.794 447 HG21 VAL 55 HG21 VAL 55 -9.230 -1.760 -1.622 448 HG22 VAL 55 HG22 VAL 55 -8.958 -3.489 -1.416 449 HG23 VAL 55 HG23 VAL 55 -9.580 -2.872 -2.946 450 H LEU 56 HN LEU 56 -5.958 0.320 -2.327 451 HA LEU 56 HA LEU 56 -8.069 1.623 -0.922 452 HB2 LEU 56 HB2 LEU 56 -5.827 1.208 0.027 453 HB3 LEU 56 HB1 LEU 56 -5.140 2.348 -1.103 454 HG LEU 56 HG LEU 56 -7.243 3.246 0.848 455 HD11 LEU 56 HD11 LEU 56 -4.298 2.873 1.358 456 HD12 LEU 56 HD12 LEU 56 -5.645 2.167 2.256 457 HD13 LEU 56 HD13 LEU 56 -5.343 3.901 2.337 458 HD21 LEU 56 HD21 LEU 56 -6.598 4.790 -0.931 459 HD22 LEU 56 HD22 LEU 56 -4.903 4.625 -0.471 460 HD23 LEU 56 HD23 LEU 56 -6.049 5.377 0.640 461 H SER 57 HN SER 57 -6.357 2.360 -3.878 462 HA SER 57 HA SER 57 -6.966 5.169 -3.784 463 HB2 SER 57 HB2 SER 57 -5.970 3.463 -6.077 464 HB3 SER 57 HB1 SER 57 -6.059 5.225 -6.082 465 HG SER 57 HG SER 57 -4.403 3.529 -4.545 466 H ASP 58 HN ASP 58 -8.713 2.389 -4.675 467 HA ASP 58 HA ASP 58 -10.601 4.068 -6.185 468 HB2 ASP 58 HB2 ASP 58 -9.817 2.234 -7.573 469 HB3 ASP 58 HB1 ASP 58 -10.223 1.069 -6.312 470 H LYS 59 HN LYS 59 -12.391 4.544 -5.199 471 HA LYS 59 HA LYS 59 -12.883 3.821 -2.539 472 HB2 LYS 59 HB2 LYS 59 -15.092 4.829 -4.294 473 HB3 LYS 59 HB1 LYS 59 -14.746 5.217 -2.618 474 HG2 LYS 59 HG2 LYS 59 -14.041 7.158 -3.508 475 HG3 LYS 59 HG1 LYS 59 -12.554 6.249 -3.793 476 HD2 LYS 59 HD2 LYS 59 -13.375 5.681 -6.056 477 HD3 LYS 59 HD1 LYS 59 -14.809 6.658 -5.758 478 HE2 LYS 59 HE2 LYS 59 -13.504 8.652 -5.603 479 HE3 LYS 59 HE1 LYS 59 -11.998 7.732 -5.644 480 HZ1 LYS 59 HZ1 LYS 59 -12.528 7.025 -7.888 481 HZ2 LYS 59 HZ2 LYS 59 -12.490 8.719 -7.797 482 HZ3 LYS 59 HZ3 LYS 59 -13.979 7.904 -7.860 483 H HIS 60 HN HIS 60 -14.051 2.544 -5.569 484 HA HIS 60 HA HIS 60 -16.238 1.052 -4.522 485 HB2 HIS 60 HB2 HIS 60 -14.698 0.420 -7.043 486 HB3 HIS 60 HB1 HIS 60 -16.376 0.037 -6.680 487 HD1 HIS 60 HD1 HIS 60 -14.171 2.744 -7.962 488 HD2 HIS 60 HD2 HIS 60 -18.177 2.185 -6.968 489 HE1 HIS 60 HE1 HIS 60 -15.397 4.725 -8.924 490 HE2 HIS 60 HE2 HIS 60 -17.812 4.403 -8.243 491 H LYS 61 HN LYS 61 -12.890 0.283 -5.343 492 HA LYS 61 HA LYS 61 -13.163 -2.507 -4.918 493 HB2 LYS 61 HB2 LYS 61 -11.444 -1.338 -6.355 494 HB3 LYS 61 HB1 LYS 61 -10.610 -0.916 -4.870 495 HG2 LYS 61 HG2 LYS 61 -10.283 -3.259 -4.350 496 HG3 LYS 61 HG1 LYS 61 -11.182 -3.721 -5.797 497 HD2 LYS 61 HD2 LYS 61 -8.594 -2.169 -5.729 498 HD3 LYS 61 HD1 LYS 61 -8.777 -3.865 -6.179 499 HE2 LYS 61 HE2 LYS 61 -9.999 -1.513 -7.617 500 HE3 LYS 61 HE1 LYS 61 -8.581 -2.418 -8.145 501 HZ1 LYS 61 HZ1 LYS 61 -9.956 -4.394 -8.346 502 HZ2 LYS 61 HZ2 LYS 61 -10.564 -3.134 -9.305 503 HZ3 LYS 61 HZ3 LYS 61 -11.322 -3.523 -7.838 504 H ARG 62 HN ARG 62 -11.911 0.149 -2.934 505 HA ARG 62 HA ARG 62 -10.991 -1.553 -0.873 506 HB2 ARG 62 HB2 ARG 62 -10.843 0.509 0.506 507 HB3 ARG 62 HB1 ARG 62 -10.021 0.615 -1.041 508 HG2 ARG 62 HG2 ARG 62 -11.906 1.890 -1.945 509 HG3 ARG 62 HG1 ARG 62 -12.699 1.817 -0.364 510 HD2 ARG 62 HD2 ARG 62 -10.582 2.887 0.559 511 HD3 ARG 62 HD1 ARG 62 -10.139 3.202 -1.117 512 HE ARG 62 HE ARG 62 -12.767 4.149 -0.373 513 HH11 ARG 62 HH11 ARG 62 -9.357 4.943 -0.699 514 HH12 ARG 62 HH12 ARG 62 -9.618 6.661 -0.585 515 HH21 ARG 62 HH21 ARG 62 -13.102 6.410 -0.259 516 HH22 ARG 62 HH22 ARG 62 -11.741 7.485 -0.349 517 H GLU 63 HN GLU 63 -14.098 0.125 -1.349 518 HA GLU 63 HA GLU 63 -15.070 -0.705 1.209 519 HB2 GLU 63 HB2 GLU 63 -17.234 0.076 0.534 520 HB3 GLU 63 HB1 GLU 63 -16.029 1.240 0.012 521 HG2 GLU 63 HG2 GLU 63 -16.221 0.562 -2.244 522 HG3 GLU 63 HG1 GLU 63 -17.173 -0.856 -1.807 523 H ILE 64 HN ILE 64 -15.217 -2.047 -2.060 524 HA ILE 64 HA ILE 64 -16.979 -4.163 -1.440 525 HB ILE 64 HB ILE 64 -15.210 -3.486 -3.684 526 HG12 ILE 64 HG12 ILE 64 -17.161 -4.271 -4.982 527 HG13 ILE 64 HG11 ILE 64 -17.904 -4.838 -3.493 528 HG21 ILE 64 HG21 ILE 64 -15.273 -5.741 -4.681 529 HG22 ILE 64 HG22 ILE 64 -15.830 -6.362 -3.130 530 HG23 ILE 64 HG23 ILE 64 -14.235 -5.628 -3.258 531 HD11 ILE 64 HD11 ILE 64 -18.868 -2.736 -4.198 532 HD12 ILE 64 HD12 ILE 64 -17.273 -1.979 -4.176 533 HD13 ILE 64 HD13 ILE 64 -18.003 -2.543 -2.672 534 H TYR 65 HN TYR 65 -13.459 -3.871 -1.263 535 HA TYR 65 HA TYR 65 -12.965 -6.516 -0.412 536 HB2 TYR 65 HB2 TYR 65 -11.144 -5.137 -1.190 537 HB3 TYR 65 HB1 TYR 65 -11.446 -3.945 0.069 538 HD1 TYR 65 HD2 TYR 65 -10.365 -7.471 -0.465 539 HD2 TYR 65 HD1 TYR 65 -10.360 -4.097 2.126 540 HE1 TYR 65 HE2 TYR 65 -8.749 -8.609 1.004 541 HE2 TYR 65 HE1 TYR 65 -8.748 -5.219 3.598 542 HH TYR 65 HH TYR 65 -8.057 -7.561 4.130 543 H ASP 66 HN ASP 66 -13.948 -3.621 1.269 544 HA ASP 66 HA ASP 66 -13.450 -4.578 3.902 545 HB2 ASP 66 HB2 ASP 66 -13.526 -2.200 3.375 546 HB3 ASP 66 HB1 ASP 66 -15.207 -2.340 2.886 547 H ARG 67 HN ARG 67 -16.453 -4.212 1.990 548 HA ARG 67 HA ARG 67 -17.938 -5.571 4.087 549 HB2 ARG 67 HB2 ARG 67 -19.920 -4.998 2.802 550 HB3 ARG 67 HB1 ARG 67 -18.892 -3.593 3.032 551 HG2 ARG 67 HG2 ARG 67 -17.965 -4.346 0.668 552 HG3 ARG 67 HG1 ARG 67 -19.572 -5.064 0.554 553 HD2 ARG 67 HD2 ARG 67 -18.948 -2.184 1.163 554 HD3 ARG 67 HD1 ARG 67 -19.534 -2.809 -0.377 555 HE ARG 67 HE ARG 67 -21.135 -3.017 2.100 556 HH11 ARG 67 HH11 ARG 67 -20.778 -2.096 -1.258 557 HH12 ARG 67 HH12 ARG 67 -22.457 -1.699 -1.470 558 HH21 ARG 67 HH21 ARG 67 -23.359 -2.468 1.838 559 HH22 ARG 67 HH22 ARG 67 -23.916 -1.913 0.284 560 H TYR 68 HN TYR 68 -16.931 -6.251 0.759 561 HA TYR 68 HA TYR 68 -18.594 -8.662 0.735 562 HB2 TYR 68 HB2 TYR 68 -18.651 -7.009 -1.158 563 HB3 TYR 68 HB1 TYR 68 -16.978 -7.421 -1.506 564 HD1 TYR 68 HD2 TYR 68 -20.431 -8.739 -1.452 565 HD2 TYR 68 HD1 TYR 68 -16.438 -9.357 -2.779 566 HE1 TYR 68 HE2 TYR 68 -21.209 -10.543 -2.928 567 HE2 TYR 68 HE1 TYR 68 -17.205 -11.161 -4.264 568 HH TYR 68 HH TYR 68 -20.390 -11.620 -5.098 569 H GLY 69 HN GLY 69 -15.428 -7.714 1.377 570 HA2 GLY 69 HA2 GLY 69 -13.915 -9.883 0.420 571 HA3 GLY 69 HA1 GLY 69 -13.521 -8.892 1.821 572 H ARG 70 HN ARG 70 -15.493 -9.352 3.490 573 HA ARG 70 HA ARG 70 -14.901 -11.797 4.708 574 HB2 ARG 70 HB2 ARG 70 -17.228 -9.912 5.091 575 HB3 ARG 70 HB1 ARG 70 -16.897 -11.280 6.145 576 HG2 ARG 70 HG2 ARG 70 -14.947 -9.046 5.646 577 HG3 ARG 70 HG1 ARG 70 -16.093 -9.081 6.991 578 HD2 ARG 70 HD2 ARG 70 -14.011 -11.196 6.440 579 HD3 ARG 70 HD1 ARG 70 -13.834 -9.890 7.613 580 HE ARG 70 HE ARG 70 -16.145 -11.064 8.379 581 HH11 ARG 70 HH11 ARG 70 -13.017 -12.405 7.604 582 HH12 ARG 70 HH12 ARG 70 -13.109 -13.669 8.787 583 HH21 ARG 70 HH21 ARG 70 -16.287 -12.713 9.964 584 HH22 ARG 70 HH22 ARG 70 -14.990 -13.869 10.117 585 H GLU 71 HN GLU 71 -17.252 -11.001 2.281 586 HA GLU 71 HA GLU 71 -19.035 -13.148 2.792 587 HB2 GLU 71 HB2 GLU 71 -19.843 -11.188 1.667 588 HB3 GLU 71 HB1 GLU 71 -18.619 -11.330 0.415 589 HG2 GLU 71 HG2 GLU 71 -20.786 -12.018 -0.406 590 HG3 GLU 71 HG1 GLU 71 -19.650 -13.364 -0.379 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -9.867 7.024 11.626 2 H2 MET 1 HT2 MET 1 -9.086 7.792 12.915 3 H3 MET 1 HT3 MET 1 -9.920 6.339 13.180 4 HA MET 1 HA MET 1 -7.409 6.760 11.673 5 HB2 MET 1 HB2 MET 1 -7.440 6.486 14.215 6 HB3 MET 1 HB1 MET 1 -8.021 4.852 13.941 7 HG2 MET 1 HG2 MET 1 -5.437 5.891 12.804 8 HG3 MET 1 HG1 MET 1 -5.556 5.105 14.375 9 HE1 MET 1 HE1 MET 1 -3.697 3.382 13.608 10 HE2 MET 1 HE2 MET 1 -3.602 4.138 12.017 11 HE3 MET 1 HE3 MET 1 -3.813 2.392 12.151 12 H ALA 2 HN ALA 2 -6.894 5.331 10.128 13 HA ALA 2 HA ALA 2 -8.585 2.952 9.797 14 HB1 ALA 2 HB1 ALA 2 -8.681 3.343 7.396 15 HB2 ALA 2 HB2 ALA 2 -7.748 4.830 7.587 16 HB3 ALA 2 HB3 ALA 2 -9.370 4.709 8.274 17 H SER 3 HN SER 3 -7.562 1.166 8.945 18 HA SER 3 HA SER 3 -4.833 0.891 9.538 19 HB2 SER 3 HB2 SER 3 -6.582 -0.929 7.871 20 HB3 SER 3 HB1 SER 3 -5.057 -1.371 8.639 21 HG SER 3 HG SER 3 -6.308 -1.923 10.245 22 H TYR 4 HN TYR 4 -6.256 2.253 6.794 23 HA TYR 4 HA TYR 4 -4.397 1.538 4.796 24 HB2 TYR 4 HB2 TYR 4 -5.808 4.202 5.134 25 HB3 TYR 4 HB1 TYR 4 -5.045 3.618 3.664 26 HD1 TYR 4 HD1 TYR 4 -6.034 0.999 3.184 27 HD2 TYR 4 HD2 TYR 4 -8.068 4.293 4.944 28 HE1 TYR 4 HE1 TYR 4 -8.185 0.066 2.434 29 HE2 TYR 4 HE2 TYR 4 -10.222 3.368 4.211 30 HH TYR 4 HH TYR 4 -10.598 0.220 3.092 31 H TYR 5 HN TYR 5 -4.273 3.705 7.494 32 HA TYR 5 HA TYR 5 -2.059 5.282 6.798 33 HB2 TYR 5 HB2 TYR 5 -3.461 5.886 8.657 34 HB3 TYR 5 HB1 TYR 5 -3.144 4.358 9.466 35 HD1 TYR 5 HD1 TYR 5 -1.712 7.636 8.571 36 HD2 TYR 5 HD2 TYR 5 -1.196 4.054 10.804 37 HE1 TYR 5 HE1 TYR 5 0.127 8.686 9.825 38 HE2 TYR 5 HE2 TYR 5 0.641 5.090 12.056 39 HH TYR 5 HH TYR 5 2.219 6.867 11.870 40 H GLU 6 HN GLU 6 -2.338 2.095 8.224 41 HA GLU 6 HA GLU 6 0.428 1.796 8.826 42 HB2 GLU 6 HB2 GLU 6 -1.861 -0.147 8.664 43 HB3 GLU 6 HB1 GLU 6 -0.226 -0.633 9.096 44 HG2 GLU 6 HG2 GLU 6 -1.818 1.453 10.551 45 HG3 GLU 6 HG1 GLU 6 -1.709 -0.239 11.038 46 H ILE 7 HN ILE 7 -1.642 0.818 6.117 47 HA ILE 7 HA ILE 7 0.268 -0.985 5.036 48 HB ILE 7 HB ILE 7 -1.219 -0.977 3.018 49 HG12 ILE 7 HG12 ILE 7 -3.121 0.596 4.703 50 HG13 ILE 7 HG11 ILE 7 -1.989 1.425 3.648 51 HG21 ILE 7 HG21 ILE 7 -2.855 -2.310 4.037 52 HG22 ILE 7 HG22 ILE 7 -2.811 -1.368 5.527 53 HG23 ILE 7 HG23 ILE 7 -1.462 -2.438 5.119 54 HD11 ILE 7 HD11 ILE 7 -2.926 0.133 1.749 55 HD12 ILE 7 HD12 ILE 7 -4.075 1.197 2.546 56 HD13 ILE 7 HD13 ILE 7 -4.126 -0.534 2.857 57 H LEU 8 HN LEU 8 -0.669 2.340 4.254 58 HA LEU 8 HA LEU 8 1.570 2.457 2.353 59 HB2 LEU 8 HB2 LEU 8 -0.467 4.630 2.755 60 HB3 LEU 8 HB1 LEU 8 0.575 4.353 1.375 61 HG LEU 8 HG LEU 8 -1.751 2.636 2.191 62 HD11 LEU 8 HD11 LEU 8 -2.428 4.814 1.332 63 HD12 LEU 8 HD12 LEU 8 -2.834 3.526 0.200 64 HD13 LEU 8 HD13 LEU 8 -1.439 4.560 -0.106 65 HD21 LEU 8 HD21 LEU 8 -0.010 1.324 1.099 66 HD22 LEU 8 HD22 LEU 8 0.058 2.486 -0.225 67 HD23 LEU 8 HD23 LEU 8 -1.395 1.516 0.024 68 H ASP 9 HN ASP 9 0.025 4.781 4.487 69 HA ASP 9 HA ASP 9 2.026 5.411 6.254 70 HB2 ASP 9 HB2 ASP 9 3.534 5.945 4.435 71 HB3 ASP 9 HB1 ASP 9 2.317 6.957 3.665 72 H VAL 10 HN VAL 10 -0.451 6.532 4.110 73 HA VAL 10 HA VAL 10 -1.408 8.384 6.190 74 HB VAL 10 HB VAL 10 -2.481 9.694 4.359 75 HG11 VAL 10 HG11 VAL 10 -0.357 10.406 5.309 76 HG12 VAL 10 HG12 VAL 10 -0.432 10.789 3.588 77 HG13 VAL 10 HG13 VAL 10 0.512 9.406 4.145 78 HG21 VAL 10 HG21 VAL 10 -2.592 7.957 2.652 79 HG22 VAL 10 HG22 VAL 10 -0.831 7.920 2.557 80 HG23 VAL 10 HG23 VAL 10 -1.712 9.361 2.050 81 HA PRO 11 HA PRO 11 -5.037 5.909 6.089 82 HB2 PRO 11 HB2 PRO 11 -6.651 7.786 7.427 83 HB3 PRO 11 HB1 PRO 11 -5.604 6.578 8.170 84 HG2 PRO 11 HG2 PRO 11 -5.273 9.373 8.258 85 HG3 PRO 11 HG1 PRO 11 -4.102 8.151 8.776 86 HD2 PRO 11 HD2 PRO 11 -4.224 9.709 6.248 87 HD3 PRO 11 HD1 PRO 11 -2.814 9.068 7.116 88 H ARG 12 HN ARG 12 -7.602 6.412 5.993 89 HA ARG 12 HA ARG 12 -8.113 6.953 3.259 90 HB2 ARG 12 HB2 ARG 12 -10.503 6.707 3.938 91 HB3 ARG 12 HB1 ARG 12 -9.479 5.347 4.374 92 HG2 ARG 12 HG2 ARG 12 -9.346 6.233 6.669 93 HG3 ARG 12 HG1 ARG 12 -10.433 7.544 6.202 94 HD2 ARG 12 HD2 ARG 12 -11.064 4.597 6.127 95 HD3 ARG 12 HD1 ARG 12 -11.642 5.750 7.329 96 HE ARG 12 HE ARG 12 -12.443 6.783 4.920 97 HH11 ARG 12 HH11 ARG 12 -12.916 3.767 6.632 98 HH12 ARG 12 HH12 ARG 12 -14.474 3.460 5.919 99 HH21 ARG 12 HH21 ARG 12 -14.483 6.389 3.972 100 HH22 ARG 12 HH22 ARG 12 -15.390 4.969 4.435 101 H SER 13 HN SER 13 -8.087 8.907 6.054 102 HA SER 13 HA SER 13 -9.868 10.941 5.240 103 HB2 SER 13 HB2 SER 13 -8.394 12.268 6.972 104 HB3 SER 13 HB1 SER 13 -9.449 10.965 7.518 105 HG SER 13 HG SER 13 -6.677 11.100 7.415 106 H ALA 14 HN ALA 14 -6.736 10.093 4.238 107 HA ALA 14 HA ALA 14 -6.010 12.696 3.234 108 HB1 ALA 14 HB1 ALA 14 -4.248 11.257 3.977 109 HB2 ALA 14 HB2 ALA 14 -4.130 11.398 2.230 110 HB3 ALA 14 HB3 ALA 14 -4.811 9.945 2.943 111 H SER 15 HN SER 15 -6.077 13.315 1.088 112 HA SER 15 HA SER 15 -8.058 12.083 -0.558 113 HB2 SER 15 HB2 SER 15 -7.167 13.827 -2.242 114 HB3 SER 15 HB1 SER 15 -7.920 14.426 -0.762 115 HG SER 15 HG SER 15 -5.241 14.471 -1.565 116 H ALA 16 HN ALA 16 -7.732 11.190 -2.654 117 HA ALA 16 HA ALA 16 -6.113 8.958 -2.466 118 HB1 ALA 16 HB1 ALA 16 -8.152 9.103 -3.818 119 HB2 ALA 16 HB2 ALA 16 -6.794 8.423 -4.714 120 HB3 ALA 16 HB3 ALA 16 -7.286 10.093 -4.994 121 H ASP 17 HN ASP 17 -5.376 12.018 -3.989 122 HA ASP 17 HA ASP 17 -3.169 11.143 -5.519 123 HB2 ASP 17 HB2 ASP 17 -3.993 13.831 -4.455 124 HB3 ASP 17 HB1 ASP 17 -2.482 13.618 -5.334 125 H ASP 18 HN ASP 18 -3.475 12.222 -2.191 126 HA ASP 18 HA ASP 18 -0.695 12.322 -1.612 127 HB2 ASP 18 HB2 ASP 18 -2.549 13.327 -0.215 128 HB3 ASP 18 HB1 ASP 18 -2.946 11.694 0.307 129 H ILE 19 HN ILE 19 -3.162 9.836 -1.466 130 HA ILE 19 HA ILE 19 -1.676 7.760 -0.334 131 HB ILE 19 HB ILE 19 -4.067 7.857 -2.118 132 HG12 ILE 19 HG12 ILE 19 -4.926 6.466 -0.108 133 HG13 ILE 19 HG11 ILE 19 -3.461 7.027 0.692 134 HG21 ILE 19 HG21 ILE 19 -2.823 5.939 -2.967 135 HG22 ILE 19 HG22 ILE 19 -4.279 5.438 -2.111 136 HG23 ILE 19 HG23 ILE 19 -2.705 5.288 -1.331 137 HD11 ILE 19 HD11 ILE 19 -5.842 8.560 -0.198 138 HD12 ILE 19 HD12 ILE 19 -4.275 9.358 -0.116 139 HD13 ILE 19 HD13 ILE 19 -4.964 8.621 1.334 140 H LYS 20 HN LYS 20 -2.065 8.675 -3.768 141 HA LYS 20 HA LYS 20 -0.458 6.554 -4.736 142 HB2 LYS 20 HB2 LYS 20 -0.674 7.471 -6.857 143 HB3 LYS 20 HB1 LYS 20 -2.119 8.045 -6.047 144 HG2 LYS 20 HG2 LYS 20 -1.078 10.224 -5.714 145 HG3 LYS 20 HG1 LYS 20 0.392 9.644 -6.502 146 HD2 LYS 20 HD2 LYS 20 -1.034 9.124 -8.519 147 HD3 LYS 20 HD1 LYS 20 -2.339 10.001 -7.721 148 HE2 LYS 20 HE2 LYS 20 0.366 11.148 -8.398 149 HE3 LYS 20 HE1 LYS 20 -1.098 11.379 -9.350 150 HZ1 LYS 20 HZ1 LYS 20 -0.655 13.259 -7.902 151 HZ2 LYS 20 HZ2 LYS 20 -0.720 12.259 -6.538 152 HZ3 LYS 20 HZ3 LYS 20 -2.112 12.505 -7.477 153 H LYS 21 HN LYS 21 0.275 9.801 -3.640 154 HA LYS 21 HA LYS 21 2.976 9.848 -4.459 155 HB2 LYS 21 HB2 LYS 21 1.627 11.840 -3.711 156 HB3 LYS 21 HB1 LYS 21 1.785 11.250 -2.060 157 HG2 LYS 21 HG2 LYS 21 3.434 12.943 -2.449 158 HG3 LYS 21 HG1 LYS 21 4.244 11.382 -2.295 159 HD2 LYS 21 HD2 LYS 21 3.861 11.406 -4.938 160 HD3 LYS 21 HD1 LYS 21 3.943 13.145 -4.656 161 HE2 LYS 21 HE2 LYS 21 5.998 11.077 -3.917 162 HE3 LYS 21 HE1 LYS 21 6.134 12.287 -5.192 163 HZ1 LYS 21 HZ1 LYS 21 7.355 13.106 -3.376 164 HZ2 LYS 21 HZ2 LYS 21 6.143 12.729 -2.258 165 HZ3 LYS 21 HZ3 LYS 21 5.909 13.993 -3.364 166 H ALA 22 HN ALA 22 1.374 8.806 -1.476 167 HA ALA 22 HA ALA 22 3.670 8.121 -0.014 168 HB1 ALA 22 HB1 ALA 22 2.183 6.727 1.342 169 HB2 ALA 22 HB2 ALA 22 0.921 6.882 0.118 170 HB3 ALA 22 HB3 ALA 22 1.460 8.302 1.013 171 H TYR 23 HN TYR 23 1.704 6.273 -2.292 172 HA TYR 23 HA TYR 23 2.995 3.812 -2.113 173 HB2 TYR 23 HB2 TYR 23 1.181 3.534 -3.429 174 HB3 TYR 23 HB1 TYR 23 1.244 5.185 -4.032 175 HD1 TYR 23 HD2 TYR 23 2.612 1.768 -4.526 176 HD2 TYR 23 HD1 TYR 23 2.146 5.669 -6.162 177 HE1 TYR 23 HE2 TYR 23 3.403 0.945 -6.707 178 HE2 TYR 23 HE1 TYR 23 2.931 4.856 -8.343 179 HH TYR 23 HH TYR 23 3.176 1.584 -9.109 180 H ARG 24 HN ARG 24 3.800 6.661 -4.052 181 HA ARG 24 HA ARG 24 5.987 5.526 -5.438 182 HB2 ARG 24 HB2 ARG 24 5.374 8.403 -4.712 183 HB3 ARG 24 HB1 ARG 24 6.686 7.914 -5.778 184 HG2 ARG 24 HG2 ARG 24 5.175 7.106 -7.407 185 HG3 ARG 24 HG1 ARG 24 3.808 7.233 -6.295 186 HD2 ARG 24 HD2 ARG 24 3.821 9.086 -7.881 187 HD3 ARG 24 HD1 ARG 24 4.077 9.643 -6.225 188 HE ARG 24 HE ARG 24 6.572 9.210 -7.462 189 HH11 ARG 24 HH11 ARG 24 3.826 11.382 -7.668 190 HH12 ARG 24 HH12 ARG 24 4.788 12.762 -8.121 191 HH21 ARG 24 HH21 ARG 24 7.837 11.026 -8.042 192 HH22 ARG 24 HH22 ARG 24 7.062 12.554 -8.332 193 H ARG 25 HN ARG 25 5.720 7.170 -2.339 194 HA ARG 25 HA ARG 25 8.498 7.422 -1.864 195 HB2 ARG 25 HB2 ARG 25 7.111 8.820 -0.601 196 HB3 ARG 25 HB1 ARG 25 6.047 7.500 -0.135 197 HG2 ARG 25 HG2 ARG 25 7.746 6.604 1.324 198 HG3 ARG 25 HG1 ARG 25 8.877 7.870 0.826 199 HD2 ARG 25 HD2 ARG 25 7.409 9.572 1.745 200 HD3 ARG 25 HD1 ARG 25 6.222 8.343 2.178 201 HE ARG 25 HE ARG 25 8.913 8.198 3.347 202 HH11 ARG 25 HH11 ARG 25 5.493 8.840 3.702 203 HH12 ARG 25 HH12 ARG 25 5.507 8.686 5.433 204 HH21 ARG 25 HH21 ARG 25 8.951 8.017 5.641 205 HH22 ARG 25 HH22 ARG 25 7.474 8.222 6.537 206 H LYS 26 HN LYS 26 6.131 4.974 -0.838 207 HA LYS 26 HA LYS 26 7.922 3.337 0.597 208 HB2 LYS 26 HB2 LYS 26 5.564 2.330 -0.998 209 HB3 LYS 26 HB1 LYS 26 6.288 1.590 0.423 210 HG2 LYS 26 HG2 LYS 26 5.538 3.508 1.768 211 HG3 LYS 26 HG1 LYS 26 4.761 4.169 0.325 212 HD2 LYS 26 HD2 LYS 26 3.102 3.022 1.631 213 HD3 LYS 26 HD1 LYS 26 3.412 2.092 0.166 214 HE2 LYS 26 HE2 LYS 26 3.277 0.565 1.992 215 HE3 LYS 26 HE1 LYS 26 4.963 0.657 1.489 216 HZ1 LYS 26 HZ1 LYS 26 4.571 0.711 3.943 217 HZ2 LYS 26 HZ2 LYS 26 3.850 2.235 3.745 218 HZ3 LYS 26 HZ3 LYS 26 5.479 2.011 3.347 219 H ALA 27 HN ALA 27 6.993 3.463 -2.777 220 HA ALA 27 HA ALA 27 8.307 1.225 -3.765 221 HB1 ALA 27 HB1 ALA 27 8.184 3.853 -5.224 222 HB2 ALA 27 HB2 ALA 27 6.786 2.801 -5.026 223 HB3 ALA 27 HB3 ALA 27 8.203 2.228 -5.908 224 H LEU 28 HN LEU 28 9.574 4.507 -3.281 225 HA LEU 28 HA LEU 28 12.205 3.893 -4.175 226 HB2 LEU 28 HB2 LEU 28 10.894 6.178 -2.799 227 HB3 LEU 28 HB1 LEU 28 12.637 6.057 -2.671 228 HG LEU 28 HG LEU 28 12.886 6.210 -5.064 229 HD11 LEU 28 HD11 LEU 28 10.898 6.610 -6.508 230 HD12 LEU 28 HD12 LEU 28 9.880 6.149 -5.143 231 HD13 LEU 28 HD13 LEU 28 10.994 4.979 -5.845 232 HD21 LEU 28 HD21 LEU 28 12.705 8.299 -3.834 233 HD22 LEU 28 HD22 LEU 28 10.954 8.279 -4.034 234 HD23 LEU 28 HD23 LEU 28 11.999 8.456 -5.442 235 H GLN 29 HN GLN 29 10.594 3.863 -1.071 236 HA GLN 29 HA GLN 29 12.833 3.763 0.610 237 HB2 GLN 29 HB2 GLN 29 10.560 4.273 1.383 238 HB3 GLN 29 HB1 GLN 29 10.061 2.626 1.025 239 HG2 GLN 29 HG2 GLN 29 11.721 1.833 2.708 240 HG3 GLN 29 HG1 GLN 29 12.012 3.519 3.133 241 HE21 GLN 29 HE21 GLN 29 11.294 3.250 5.232 242 HE22 GLN 29 HE22 GLN 29 9.620 3.016 5.616 243 H TRP 30 HN TRP 30 11.018 1.183 -0.998 244 HA TRP 30 HA TRP 30 12.888 -0.749 0.183 245 HB2 TRP 30 HB2 TRP 30 10.103 -1.184 -0.900 246 HB3 TRP 30 HB1 TRP 30 11.176 -2.475 -0.355 247 HD1 TRP 30 HD1 TRP 30 8.806 0.167 0.933 248 HE1 TRP 30 HE1 TRP 30 8.633 -0.015 3.495 249 HE3 TRP 30 HE3 TRP 30 12.622 -3.136 1.774 250 HZ2 TRP 30 HZ2 TRP 30 9.936 -1.384 5.593 251 HZ3 TRP 30 HZ3 TRP 30 13.092 -3.830 4.087 252 HH2 TRP 30 HH2 TRP 30 11.777 -2.969 5.957 253 H HIS 31 HN HIS 31 13.007 0.967 -2.399 254 HA HIS 31 HA HIS 31 13.440 -1.059 -4.399 255 HB2 HIS 31 HB2 HIS 31 13.742 1.879 -4.239 256 HB3 HIS 31 HB1 HIS 31 14.879 1.062 -5.308 257 HD1 HIS 31 HD1 HIS 31 12.086 -1.014 -5.610 258 HD2 HIS 31 HD2 HIS 31 12.922 2.841 -6.938 259 HE1 HIS 31 HE1 HIS 31 10.515 -0.599 -7.524 260 HE2 HIS 31 HE2 HIS 31 11.224 1.628 -8.470 261 HA PRO 32 HA PRO 32 17.130 -2.834 -3.161 262 HB2 PRO 32 HB2 PRO 32 18.564 -2.895 -5.531 263 HB3 PRO 32 HB1 PRO 32 17.315 -4.054 -5.062 264 HG2 PRO 32 HG2 PRO 32 17.102 -1.641 -6.816 265 HG3 PRO 32 HG1 PRO 32 16.383 -3.247 -7.027 266 HD2 PRO 32 HD2 PRO 32 14.911 -1.217 -6.151 267 HD3 PRO 32 HD1 PRO 32 14.711 -2.839 -5.451 268 H ASP 33 HN ASP 33 17.515 0.135 -4.986 269 HA ASP 33 HA ASP 33 20.235 0.604 -4.393 270 HB2 ASP 33 HB2 ASP 33 18.960 1.802 -6.161 271 HB3 ASP 33 HB1 ASP 33 18.066 2.651 -4.903 272 H LYS 34 HN LYS 34 17.304 1.110 -2.579 273 HA LYS 34 HA LYS 34 18.830 2.438 -0.444 274 HB2 LYS 34 HB2 LYS 34 15.885 2.425 -1.078 275 HB3 LYS 34 HB1 LYS 34 16.504 2.968 0.470 276 HG2 LYS 34 HG2 LYS 34 16.192 4.921 -0.752 277 HG3 LYS 34 HG1 LYS 34 17.924 4.613 -0.869 278 HD2 LYS 34 HD2 LYS 34 17.551 3.580 -3.087 279 HD3 LYS 34 HD1 LYS 34 15.838 3.993 -2.961 280 HE2 LYS 34 HE2 LYS 34 16.946 5.663 -4.294 281 HE3 LYS 34 HE1 LYS 34 16.479 6.378 -2.752 282 HZ1 LYS 34 HZ1 LYS 34 18.778 5.982 -1.973 283 HZ2 LYS 34 HZ2 LYS 34 18.695 7.051 -3.281 284 HZ3 LYS 34 HZ3 LYS 34 19.191 5.450 -3.531 285 H ASN 35 HN ASN 35 18.432 -0.509 -1.225 286 HA ASN 35 HA ASN 35 17.359 -1.455 1.350 287 HB2 ASN 35 HB2 ASN 35 15.979 -2.128 -0.555 288 HB3 ASN 35 HB1 ASN 35 17.384 -2.843 -1.340 289 HD21 ASN 35 HD21 ASN 35 15.149 -3.108 1.330 290 HD22 ASN 35 HD22 ASN 35 15.454 -4.782 1.664 291 HA PRO 36 HA PRO 36 21.445 -3.075 1.869 292 HB2 PRO 36 HB2 PRO 36 21.120 -3.986 4.394 293 HB3 PRO 36 HB1 PRO 36 21.275 -2.275 3.994 294 HG2 PRO 36 HG2 PRO 36 18.912 -3.782 4.863 295 HG3 PRO 36 HG1 PRO 36 19.217 -2.039 4.921 296 HD2 PRO 36 HD2 PRO 36 17.658 -3.512 3.008 297 HD3 PRO 36 HD1 PRO 36 17.942 -1.763 3.077 298 H ASP 37 HN ASP 37 20.277 -5.403 4.100 299 HA ASP 37 HA ASP 37 21.227 -7.435 2.211 300 HB2 ASP 37 HB2 ASP 37 21.164 -7.302 5.199 301 HB3 ASP 37 HB1 ASP 37 21.383 -8.838 4.368 302 H ASN 38 HN ASN 38 18.296 -6.406 3.544 303 HA ASN 38 HA ASN 38 17.138 -9.081 3.135 304 HB2 ASN 38 HB2 ASN 38 16.129 -6.679 4.648 305 HB3 ASN 38 HB1 ASN 38 15.080 -8.025 4.226 306 HD21 ASN 38 HD21 ASN 38 17.183 -10.032 4.594 307 HD22 ASN 38 HD22 ASN 38 17.397 -10.173 6.305 308 H LYS 39 HN LYS 39 16.725 -9.269 1.008 309 HA LYS 39 HA LYS 39 15.495 -7.038 -0.415 310 HB2 LYS 39 HB2 LYS 39 16.758 -9.615 -1.266 311 HB3 LYS 39 HB1 LYS 39 15.621 -8.826 -2.346 312 HG2 LYS 39 HG2 LYS 39 17.803 -8.158 -2.984 313 HG3 LYS 39 HG1 LYS 39 17.034 -6.774 -2.209 314 HD2 LYS 39 HD2 LYS 39 18.233 -7.275 -0.134 315 HD3 LYS 39 HD1 LYS 39 19.003 -8.659 -0.916 316 HE2 LYS 39 HE2 LYS 39 19.271 -5.776 -1.757 317 HE3 LYS 39 HE1 LYS 39 20.479 -6.703 -0.868 318 HZ1 LYS 39 HZ1 LYS 39 19.508 -7.273 -3.619 319 HZ2 LYS 39 HZ2 LYS 39 20.624 -8.220 -2.765 320 HZ3 LYS 39 HZ3 LYS 39 21.021 -6.629 -3.206 321 H GLU 40 HN GLU 40 14.772 -10.148 0.895 322 HA GLU 40 HA GLU 40 12.374 -10.770 -0.361 323 HB2 GLU 40 HB2 GLU 40 13.573 -12.238 1.223 324 HB3 GLU 40 HB1 GLU 40 13.096 -11.183 2.541 325 HG2 GLU 40 HG2 GLU 40 10.721 -11.683 1.995 326 HG3 GLU 40 HG1 GLU 40 11.295 -12.865 0.819 327 H PHE 41 HN PHE 41 12.983 -8.739 2.455 328 HA PHE 41 HA PHE 41 10.273 -8.125 2.960 329 HB2 PHE 41 HB2 PHE 41 12.820 -6.715 3.756 330 HB3 PHE 41 HB1 PHE 41 11.221 -6.215 4.298 331 HD1 PHE 41 HD1 PHE 41 13.704 -8.945 4.441 332 HD2 PHE 41 HD2 PHE 41 10.090 -7.353 6.030 333 HE1 PHE 41 HE1 PHE 41 13.808 -10.563 6.292 334 HE2 PHE 41 HE2 PHE 41 10.189 -8.970 7.883 335 HZ PHE 41 HZ PHE 41 12.049 -10.577 8.016 336 H ALA 42 HN ALA 42 12.748 -6.611 0.976 337 HA ALA 42 HA ALA 42 11.305 -4.249 0.397 338 HB1 ALA 42 HB1 ALA 42 13.519 -5.633 -1.104 339 HB2 ALA 42 HB2 ALA 42 13.670 -4.305 0.051 340 HB3 ALA 42 HB3 ALA 42 12.888 -4.036 -1.506 341 H GLU 43 HN GLU 43 11.618 -7.347 -1.336 342 HA GLU 43 HA GLU 43 9.927 -6.550 -3.477 343 HB2 GLU 43 HB2 GLU 43 9.845 -8.951 -4.069 344 HB3 GLU 43 HB1 GLU 43 11.482 -8.356 -3.841 345 HG2 GLU 43 HG2 GLU 43 11.560 -9.376 -1.637 346 HG3 GLU 43 HG1 GLU 43 9.901 -9.939 -1.831 347 H LYS 44 HN LYS 44 9.347 -8.242 -0.419 348 HA LYS 44 HA LYS 44 6.626 -8.804 -0.917 349 HB2 LYS 44 HB2 LYS 44 8.158 -8.462 1.652 350 HB3 LYS 44 HB1 LYS 44 6.441 -8.837 1.624 351 HG2 LYS 44 HG2 LYS 44 6.946 -10.873 0.323 352 HG3 LYS 44 HG1 LYS 44 8.665 -10.511 0.480 353 HD2 LYS 44 HD2 LYS 44 8.292 -12.020 2.204 354 HD3 LYS 44 HD1 LYS 44 8.186 -10.459 3.015 355 HE2 LYS 44 HE2 LYS 44 5.824 -12.056 2.031 356 HE3 LYS 44 HE1 LYS 44 6.408 -12.055 3.691 357 HZ1 LYS 44 HZ1 LYS 44 5.293 -9.738 2.206 358 HZ2 LYS 44 HZ2 LYS 44 5.965 -9.642 3.755 359 HZ3 LYS 44 HZ3 LYS 44 4.566 -10.562 3.491 360 H LYS 45 HN LYS 45 8.216 -6.008 0.621 361 HA LYS 45 HA LYS 45 5.795 -4.735 1.359 362 HB2 LYS 45 HB2 LYS 45 8.593 -3.693 0.981 363 HB3 LYS 45 HB1 LYS 45 7.257 -2.641 1.432 364 HG2 LYS 45 HG2 LYS 45 8.342 -4.979 2.986 365 HG3 LYS 45 HG1 LYS 45 8.421 -3.270 3.417 366 HD2 LYS 45 HD2 LYS 45 5.896 -3.292 3.418 367 HD3 LYS 45 HD1 LYS 45 6.005 -5.045 3.306 368 HE2 LYS 45 HE2 LYS 45 7.311 -5.073 5.381 369 HE3 LYS 45 HE1 LYS 45 7.137 -3.325 5.502 370 HZ1 LYS 45 HZ1 LYS 45 4.634 -3.844 5.383 371 HZ2 LYS 45 HZ2 LYS 45 5.450 -4.107 6.843 372 HZ3 LYS 45 HZ3 LYS 45 5.085 -5.419 5.829 373 H PHE 46 HN PHE 46 7.782 -4.658 -1.518 374 HA PHE 46 HA PHE 46 6.411 -2.613 -2.885 375 HB2 PHE 46 HB2 PHE 46 8.591 -3.604 -3.598 376 HB3 PHE 46 HB1 PHE 46 7.730 -5.063 -4.083 377 HD1 PHE 46 HD1 PHE 46 8.179 -1.474 -4.797 378 HD2 PHE 46 HD2 PHE 46 6.582 -5.180 -6.147 379 HE1 PHE 46 HE1 PHE 46 7.787 -0.490 -7.018 380 HE2 PHE 46 HE2 PHE 46 6.187 -4.203 -8.370 381 HZ PHE 46 HZ PHE 46 6.790 -1.857 -8.807 382 H LYS 47 HN LYS 47 5.857 -6.099 -2.650 383 HA LYS 47 HA LYS 47 3.563 -6.095 -4.325 384 HB2 LYS 47 HB2 LYS 47 3.672 -8.321 -4.116 385 HB3 LYS 47 HB1 LYS 47 5.183 -8.030 -3.278 386 HG2 LYS 47 HG2 LYS 47 4.163 -9.470 -1.843 387 HG3 LYS 47 HG1 LYS 47 3.636 -7.930 -1.166 388 HD2 LYS 47 HD2 LYS 47 1.493 -8.122 -2.196 389 HD3 LYS 47 HD1 LYS 47 2.016 -9.503 -3.162 390 HE2 LYS 47 HE2 LYS 47 2.227 -10.859 -1.175 391 HE3 LYS 47 HE1 LYS 47 1.837 -9.477 -0.152 392 HZ1 LYS 47 HZ1 LYS 47 -0.353 -9.391 -1.112 393 HZ2 LYS 47 HZ2 LYS 47 -0.067 -10.947 -0.495 394 HZ3 LYS 47 HZ3 LYS 47 0.008 -10.671 -2.167 395 H GLU 48 HN GLU 48 4.082 -5.594 -0.883 396 HA GLU 48 HA GLU 48 1.406 -5.782 -0.018 397 HB2 GLU 48 HB2 GLU 48 3.569 -3.987 1.106 398 HB3 GLU 48 HB1 GLU 48 2.098 -4.476 1.928 399 HG2 GLU 48 HG2 GLU 48 4.316 -6.319 1.087 400 HG3 GLU 48 HG1 GLU 48 4.078 -5.680 2.710 401 H VAL 49 HN VAL 49 3.323 -2.993 -1.115 402 HA VAL 49 HA VAL 49 1.157 -1.167 -0.809 403 HB VAL 49 HB VAL 49 3.391 -0.257 -0.764 404 HG11 VAL 49 HG11 VAL 49 3.705 -0.963 -3.668 405 HG12 VAL 49 HG12 VAL 49 4.347 -1.960 -2.364 406 HG13 VAL 49 HG13 VAL 49 4.921 -0.302 -2.572 407 HG21 VAL 49 HG21 VAL 49 3.097 1.631 -2.154 408 HG22 VAL 49 HG22 VAL 49 1.477 1.077 -1.722 409 HG23 VAL 49 HG23 VAL 49 2.135 0.713 -3.312 410 H ALA 50 HN ALA 50 2.360 -3.142 -3.461 411 HA ALA 50 HA ALA 50 0.932 -1.982 -5.551 412 HB1 ALA 50 HB1 ALA 50 1.462 -4.926 -5.199 413 HB2 ALA 50 HB2 ALA 50 2.648 -3.759 -5.777 414 HB3 ALA 50 HB3 ALA 50 1.188 -4.067 -6.715 415 H GLU 51 HN GLU 51 -0.100 -4.554 -3.297 416 HA GLU 51 HA GLU 51 -2.702 -4.753 -4.463 417 HB2 GLU 51 HB2 GLU 51 -3.255 -6.201 -2.582 418 HB3 GLU 51 HB1 GLU 51 -1.700 -6.648 -3.264 419 HG2 GLU 51 HG2 GLU 51 -0.546 -5.546 -1.449 420 HG3 GLU 51 HG1 GLU 51 -2.073 -4.967 -0.796 421 H ALA 52 HN ALA 52 -1.347 -3.124 -1.656 422 HA ALA 52 HA ALA 52 -3.829 -2.352 -0.534 423 HB1 ALA 52 HB1 ALA 52 -1.675 -2.628 0.694 424 HB2 ALA 52 HB2 ALA 52 -2.539 -1.128 1.047 425 HB3 ALA 52 HB3 ALA 52 -1.140 -1.108 -0.026 426 H TYR 53 HN TYR 53 -1.509 -0.733 -2.642 427 HA TYR 53 HA TYR 53 -2.873 1.770 -2.565 428 HB2 TYR 53 HB2 TYR 53 -0.621 1.999 -3.122 429 HB3 TYR 53 HB1 TYR 53 -0.648 0.650 -4.251 430 HD1 TYR 53 HD2 TYR 53 -1.881 4.126 -3.758 431 HD2 TYR 53 HD1 TYR 53 -0.961 1.043 -6.541 432 HE1 TYR 53 HE2 TYR 53 -2.220 5.706 -5.610 433 HE2 TYR 53 HE1 TYR 53 -1.298 2.617 -8.401 434 HH TYR 53 HH TYR 53 -2.577 4.740 -8.803 435 H GLU 54 HN GLU 54 -2.946 -1.056 -4.704 436 HA GLU 54 HA GLU 54 -4.572 0.074 -6.704 437 HB2 GLU 54 HB2 GLU 54 -3.947 -2.688 -5.836 438 HB3 GLU 54 HB1 GLU 54 -5.422 -2.476 -6.770 439 HG2 GLU 54 HG2 GLU 54 -3.918 -1.171 -8.408 440 HG3 GLU 54 HG1 GLU 54 -2.592 -1.984 -7.574 441 H VAL 55 HN VAL 55 -5.477 -1.753 -3.788 442 HA VAL 55 HA VAL 55 -8.234 -1.692 -4.344 443 HB VAL 55 HB VAL 55 -7.266 -3.360 -2.857 444 HG11 VAL 55 HG11 VAL 55 -5.616 -2.042 -1.701 445 HG12 VAL 55 HG12 VAL 55 -6.711 -2.790 -0.546 446 HG13 VAL 55 HG13 VAL 55 -6.876 -1.081 -0.931 447 HG21 VAL 55 HG21 VAL 55 -9.353 -1.636 -1.538 448 HG22 VAL 55 HG22 VAL 55 -8.995 -3.312 -1.122 449 HG23 VAL 55 HG23 VAL 55 -9.638 -2.916 -2.715 450 H LEU 56 HN LEU 56 -6.186 0.420 -2.361 451 HA LEU 56 HA LEU 56 -8.399 1.933 -1.382 452 HB2 LEU 56 HB2 LEU 56 -6.315 1.721 -0.120 453 HB3 LEU 56 HB1 LEU 56 -5.455 2.580 -1.382 454 HG LEU 56 HG LEU 56 -6.689 4.616 -0.894 455 HD11 LEU 56 HD11 LEU 56 -8.086 3.003 1.230 456 HD12 LEU 56 HD12 LEU 56 -8.821 3.641 -0.240 457 HD13 LEU 56 HD13 LEU 56 -8.227 4.744 1.000 458 HD21 LEU 56 HD21 LEU 56 -4.651 4.151 0.365 459 HD22 LEU 56 HD22 LEU 56 -5.617 3.356 1.607 460 HD23 LEU 56 HD23 LEU 56 -5.813 5.081 1.314 461 H SER 57 HN SER 57 -6.329 2.189 -4.193 462 HA SER 57 HA SER 57 -7.022 4.940 -4.691 463 HB2 SER 57 HB2 SER 57 -4.845 3.982 -5.411 464 HB3 SER 57 HB1 SER 57 -5.707 2.953 -6.558 465 HG SER 57 HG SER 57 -6.485 5.508 -6.847 466 H ASP 58 HN ASP 58 -8.514 1.954 -5.235 467 HA ASP 58 HA ASP 58 -10.246 3.140 -7.300 468 HB2 ASP 58 HB2 ASP 58 -9.550 0.283 -6.672 469 HB3 ASP 58 HB1 ASP 58 -11.038 0.677 -7.526 470 H LYS 59 HN LYS 59 -12.205 3.717 -6.698 471 HA LYS 59 HA LYS 59 -12.880 3.596 -3.968 472 HB2 LYS 59 HB2 LYS 59 -13.706 5.518 -4.833 473 HB3 LYS 59 HB1 LYS 59 -13.961 4.824 -6.423 474 HG2 LYS 59 HG2 LYS 59 -15.777 4.009 -4.218 475 HG3 LYS 59 HG1 LYS 59 -15.964 5.614 -4.934 476 HD2 LYS 59 HD2 LYS 59 -16.312 4.706 -7.094 477 HD3 LYS 59 HD1 LYS 59 -15.809 3.096 -6.569 478 HE2 LYS 59 HE2 LYS 59 -18.229 3.196 -6.784 479 HE3 LYS 59 HE1 LYS 59 -17.779 2.997 -5.091 480 HZ1 LYS 59 HZ1 LYS 59 -18.573 5.546 -6.393 481 HZ2 LYS 59 HZ2 LYS 59 -18.112 5.383 -4.773 482 HZ3 LYS 59 HZ3 LYS 59 -19.524 4.633 -5.330 483 H HIS 60 HN HIS 60 -13.918 1.777 -6.799 484 HA HIS 60 HA HIS 60 -16.009 0.405 -5.427 485 HB2 HIS 60 HB2 HIS 60 -15.877 0.631 -7.915 486 HB3 HIS 60 HB1 HIS 60 -14.558 -0.538 -7.900 487 HD1 HIS 60 HD1 HIS 60 -18.031 -0.467 -6.326 488 HD2 HIS 60 HD2 HIS 60 -15.547 -2.983 -8.523 489 HE1 HIS 60 HE1 HIS 60 -19.326 -2.603 -6.638 490 HE2 HIS 60 HE2 HIS 60 -17.724 -4.178 -7.787 491 H LYS 61 HN LYS 61 -12.585 -0.260 -5.955 492 HA LYS 61 HA LYS 61 -12.707 -2.951 -5.038 493 HB2 LYS 61 HB2 LYS 61 -10.472 -1.001 -5.466 494 HB3 LYS 61 HB1 LYS 61 -10.162 -2.509 -4.626 495 HG2 LYS 61 HG2 LYS 61 -9.575 -2.768 -6.927 496 HG3 LYS 61 HG1 LYS 61 -11.012 -3.733 -6.606 497 HD2 LYS 61 HD2 LYS 61 -12.416 -2.117 -7.662 498 HD3 LYS 61 HD1 LYS 61 -11.074 -0.980 -7.812 499 HE2 LYS 61 HE2 LYS 61 -11.206 -3.685 -9.131 500 HE3 LYS 61 HE1 LYS 61 -11.590 -2.159 -9.917 501 HZ1 LYS 61 HZ1 LYS 61 -9.296 -1.426 -9.440 502 HZ2 LYS 61 HZ2 LYS 61 -9.359 -2.786 -10.453 503 HZ3 LYS 61 HZ3 LYS 61 -8.949 -2.967 -8.819 504 H ARG 62 HN ARG 62 -11.865 0.117 -3.455 505 HA ARG 62 HA ARG 62 -11.209 -1.116 -0.997 506 HB2 ARG 62 HB2 ARG 62 -11.301 1.135 -0.017 507 HB3 ARG 62 HB1 ARG 62 -10.336 1.071 -1.484 508 HG2 ARG 62 HG2 ARG 62 -11.836 2.319 -2.694 509 HG3 ARG 62 HG1 ARG 62 -13.197 1.899 -1.641 510 HD2 ARG 62 HD2 ARG 62 -10.908 3.762 -1.026 511 HD3 ARG 62 HD1 ARG 62 -12.614 4.181 -1.210 512 HE ARG 62 HE ARG 62 -11.610 2.469 0.975 513 HH11 ARG 62 HH11 ARG 62 -13.550 5.145 -0.166 514 HH12 ARG 62 HH12 ARG 62 -14.365 5.366 1.358 515 HH21 ARG 62 HH21 ARG 62 -12.658 2.754 2.969 516 HH22 ARG 62 HH22 ARG 62 -13.835 4.016 3.144 517 H GLU 63 HN GLU 63 -14.257 0.118 -2.294 518 HA GLU 63 HA GLU 63 -15.650 -0.077 0.182 519 HB2 GLU 63 HB2 GLU 63 -17.657 0.268 -1.040 520 HB3 GLU 63 HB1 GLU 63 -16.429 1.247 -1.825 521 HG2 GLU 63 HG2 GLU 63 -16.195 -0.448 -3.568 522 HG3 GLU 63 HG1 GLU 63 -17.430 -1.425 -2.778 523 H ILE 64 HN ILE 64 -15.082 -2.281 -2.506 524 HA ILE 64 HA ILE 64 -16.646 -4.428 -1.542 525 HB ILE 64 HB ILE 64 -14.262 -4.336 -3.399 526 HG12 ILE 64 HG12 ILE 64 -16.315 -3.359 -4.273 527 HG13 ILE 64 HG11 ILE 64 -15.963 -4.868 -5.107 528 HG21 ILE 64 HG21 ILE 64 -15.947 -6.742 -2.700 529 HG22 ILE 64 HG22 ILE 64 -14.247 -6.509 -2.294 530 HG23 ILE 64 HG23 ILE 64 -14.738 -6.671 -3.980 531 HD11 ILE 64 HD11 ILE 64 -17.971 -4.525 -2.888 532 HD12 ILE 64 HD12 ILE 64 -17.640 -6.014 -3.773 533 HD13 ILE 64 HD13 ILE 64 -18.337 -4.628 -4.611 534 H TYR 65 HN TYR 65 -13.248 -3.555 -1.135 535 HA TYR 65 HA TYR 65 -12.467 -5.760 0.412 536 HB2 TYR 65 HB2 TYR 65 -10.970 -4.089 -0.705 537 HB3 TYR 65 HB1 TYR 65 -11.345 -2.965 0.596 538 HD1 TYR 65 HD1 TYR 65 -9.850 -6.281 -0.125 539 HD2 TYR 65 HD2 TYR 65 -10.147 -3.050 2.628 540 HE1 TYR 65 HE1 TYR 65 -8.010 -7.241 1.191 541 HE2 TYR 65 HE2 TYR 65 -8.307 -4.004 3.953 542 HH TYR 65 HH TYR 65 -6.293 -6.474 2.789 543 H ASP 66 HN ASP 66 -14.018 -2.734 1.262 544 HA ASP 66 HA ASP 66 -13.651 -2.895 4.068 545 HB2 ASP 66 HB2 ASP 66 -14.224 -0.807 2.941 546 HB3 ASP 66 HB1 ASP 66 -15.764 -1.479 2.430 547 H ARG 67 HN ARG 67 -16.350 -3.823 1.953 548 HA ARG 67 HA ARG 67 -17.847 -4.786 4.246 549 HB2 ARG 67 HB2 ARG 67 -19.696 -5.054 2.730 550 HB3 ARG 67 HB1 ARG 67 -18.950 -3.485 2.465 551 HG2 ARG 67 HG2 ARG 67 -17.628 -4.849 0.613 552 HG3 ARG 67 HG1 ARG 67 -19.077 -5.854 0.694 553 HD2 ARG 67 HD2 ARG 67 -18.893 -2.919 0.079 554 HD3 ARG 67 HD1 ARG 67 -19.438 -4.212 -0.991 555 HE ARG 67 HE ARG 67 -21.224 -4.410 0.978 556 HH11 ARG 67 HH11 ARG 67 -20.023 -1.620 -0.757 557 HH12 ARG 67 HH12 ARG 67 -21.465 -0.683 -0.531 558 HH21 ARG 67 HH21 ARG 67 -23.140 -3.161 1.306 559 HH22 ARG 67 HH22 ARG 67 -23.223 -1.547 0.653 560 H TYR 68 HN TYR 68 -16.089 -6.156 1.532 561 HA TYR 68 HA TYR 68 -17.083 -8.830 2.249 562 HB2 TYR 68 HB2 TYR 68 -17.423 -8.075 -0.087 563 HB3 TYR 68 HB1 TYR 68 -15.681 -7.911 -0.272 564 HD1 TYR 68 HD2 TYR 68 -18.222 -10.472 0.698 565 HD2 TYR 68 HD1 TYR 68 -14.515 -9.664 -1.226 566 HE1 TYR 68 HE2 TYR 68 -18.091 -12.819 -0.020 567 HE2 TYR 68 HE1 TYR 68 -14.372 -12.008 -1.949 568 HH TYR 68 HH TYR 68 -15.251 -14.202 -1.256 569 H GLY 69 HN GLY 69 -14.504 -6.851 2.806 570 HA2 GLY 69 HA2 GLY 69 -12.257 -8.511 2.505 571 HA3 GLY 69 HA1 GLY 69 -12.413 -7.187 3.654 572 H ARG 70 HN ARG 70 -14.269 -7.915 5.328 573 HA ARG 70 HA ARG 70 -13.038 -9.709 7.077 574 HB2 ARG 70 HB2 ARG 70 -15.893 -8.738 6.979 575 HB3 ARG 70 HB1 ARG 70 -15.213 -9.656 8.316 576 HG2 ARG 70 HG2 ARG 70 -14.266 -6.961 7.366 577 HG3 ARG 70 HG1 ARG 70 -15.249 -7.276 8.801 578 HD2 ARG 70 HD2 ARG 70 -13.387 -8.750 9.625 579 HD3 ARG 70 HD1 ARG 70 -12.411 -8.147 8.287 580 HE ARG 70 HE ARG 70 -13.545 -6.074 9.935 581 HH11 ARG 70 HH11 ARG 70 -10.849 -8.267 9.505 582 HH12 ARG 70 HH12 ARG 70 -9.755 -7.319 10.476 583 HH21 ARG 70 HH21 ARG 70 -12.138 -4.838 11.212 584 HH22 ARG 70 HH22 ARG 70 -10.503 -5.373 11.478 585 H GLU 71 HN GLU 71 -15.557 -10.236 4.681 586 HA GLU 71 HA GLU 71 -16.174 -12.874 5.651 587 HB2 GLU 71 HB2 GLU 71 -17.057 -11.399 3.167 588 HB3 GLU 71 HB1 GLU 71 -17.665 -12.975 3.656 589 HG2 GLU 71 HG2 GLU 71 -17.933 -10.407 5.205 590 HG3 GLU 71 HG1 GLU 71 -19.206 -11.209 4.285 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -13.476 5.315 10.657 2 H2 MET 1 HT2 MET 1 -13.119 6.762 9.855 3 H3 MET 1 HT3 MET 1 -13.186 6.723 11.553 4 HA MET 1 HA MET 1 -10.909 6.770 10.800 5 HB2 MET 1 HB2 MET 1 -10.090 4.991 12.148 6 HB3 MET 1 HB1 MET 1 -11.632 5.450 12.850 7 HG2 MET 1 HG2 MET 1 -11.163 3.087 11.041 8 HG3 MET 1 HG1 MET 1 -11.318 3.027 12.793 9 HE1 MET 1 HE1 MET 1 -13.636 4.998 13.464 10 HE2 MET 1 HE2 MET 1 -13.581 3.357 14.107 11 HE3 MET 1 HE3 MET 1 -15.057 3.961 13.354 12 H ALA 2 HN ALA 2 -9.136 5.506 9.808 13 HA ALA 2 HA ALA 2 -10.033 3.569 7.794 14 HB1 ALA 2 HB1 ALA 2 -9.879 5.739 6.663 15 HB2 ALA 2 HB2 ALA 2 -8.656 4.611 6.074 16 HB3 ALA 2 HB3 ALA 2 -8.205 5.895 7.196 17 H SER 3 HN SER 3 -9.032 1.773 8.418 18 HA SER 3 HA SER 3 -6.577 1.651 9.807 19 HB2 SER 3 HB2 SER 3 -7.893 -0.489 8.117 20 HB3 SER 3 HB1 SER 3 -6.639 -0.754 9.327 21 HG SER 3 HG SER 3 -9.283 -0.594 9.668 22 H TYR 4 HN TYR 4 -7.284 2.181 6.539 23 HA TYR 4 HA TYR 4 -4.980 1.098 5.323 24 HB2 TYR 4 HB2 TYR 4 -6.608 3.480 4.409 25 HB3 TYR 4 HB1 TYR 4 -5.556 2.483 3.412 26 HD1 TYR 4 HD2 TYR 4 -6.221 0.138 2.886 27 HD2 TYR 4 HD1 TYR 4 -8.836 2.821 4.902 28 HE1 TYR 4 HE2 TYR 4 -8.124 -1.325 2.351 29 HE2 TYR 4 HE1 TYR 4 -10.746 1.367 4.374 30 HH TYR 4 HH TYR 4 -10.395 -1.790 3.245 31 H TYR 5 HN TYR 5 -5.612 4.058 7.050 32 HA TYR 5 HA TYR 5 -3.305 5.507 6.313 33 HB2 TYR 5 HB2 TYR 5 -5.093 6.647 7.439 34 HB3 TYR 5 HB1 TYR 5 -5.038 5.528 8.793 35 HD1 TYR 5 HD2 TYR 5 -3.145 8.251 7.108 36 HD2 TYR 5 HD1 TYR 5 -3.677 5.959 10.653 37 HE1 TYR 5 HE2 TYR 5 -1.649 9.783 8.318 38 HE2 TYR 5 HE1 TYR 5 -2.185 7.485 11.870 39 HH TYR 5 HH TYR 5 -1.240 10.497 10.631 40 H GLU 6 HN GLU 6 -3.968 3.061 8.713 41 HA GLU 6 HA GLU 6 -1.438 3.163 10.005 42 HB2 GLU 6 HB2 GLU 6 -3.583 1.038 9.946 43 HB3 GLU 6 HB1 GLU 6 -2.168 0.989 10.989 44 HG2 GLU 6 HG2 GLU 6 -4.108 3.271 11.020 45 HG3 GLU 6 HG1 GLU 6 -4.324 1.827 12.011 46 H ILE 7 HN ILE 7 -2.853 1.108 7.478 47 HA ILE 7 HA ILE 7 -0.609 -0.635 7.376 48 HB ILE 7 HB ILE 7 -1.641 -1.618 5.376 49 HG12 ILE 7 HG12 ILE 7 -4.128 -0.695 5.068 50 HG13 ILE 7 HG11 ILE 7 -3.357 0.814 5.537 51 HG21 ILE 7 HG21 ILE 7 -3.522 -2.562 6.473 52 HG22 ILE 7 HG22 ILE 7 -3.721 -1.137 7.491 53 HG23 ILE 7 HG23 ILE 7 -2.326 -2.199 7.720 54 HD11 ILE 7 HD11 ILE 7 -1.776 0.552 3.682 55 HD12 ILE 7 HD12 ILE 7 -3.453 0.628 3.145 56 HD13 ILE 7 HD13 ILE 7 -2.614 -0.922 3.201 57 H LEU 8 HN LEU 8 -1.556 2.213 5.510 58 HA LEU 8 HA LEU 8 0.866 1.882 3.895 59 HB2 LEU 8 HB2 LEU 8 -1.295 2.302 2.736 60 HB3 LEU 8 HB1 LEU 8 -1.391 3.856 3.539 61 HG LEU 8 HG LEU 8 0.640 4.598 2.377 62 HD11 LEU 8 HD11 LEU 8 1.644 3.248 0.637 63 HD12 LEU 8 HD12 LEU 8 0.505 1.943 0.955 64 HD13 LEU 8 HD13 LEU 8 1.700 2.385 2.172 65 HD21 LEU 8 HD21 LEU 8 -1.586 4.958 1.365 66 HD22 LEU 8 HD22 LEU 8 -1.397 3.448 0.469 67 HD23 LEU 8 HD23 LEU 8 -0.305 4.799 0.163 68 H ASP 9 HN ASP 9 -0.648 4.939 4.697 69 HA ASP 9 HA ASP 9 0.770 5.839 6.834 70 HB2 ASP 9 HB2 ASP 9 2.622 7.175 5.953 71 HB3 ASP 9 HB1 ASP 9 2.868 5.467 5.621 72 H VAL 10 HN VAL 10 -1.008 6.336 4.016 73 HA VAL 10 HA VAL 10 -1.750 9.023 4.967 74 HB VAL 10 HB VAL 10 -2.584 9.466 2.657 75 HG11 VAL 10 HG11 VAL 10 -0.367 9.837 1.660 76 HG12 VAL 10 HG12 VAL 10 0.345 8.813 2.905 77 HG13 VAL 10 HG13 VAL 10 -0.434 10.330 3.352 78 HG21 VAL 10 HG21 VAL 10 -1.126 6.911 1.992 79 HG22 VAL 10 HG22 VAL 10 -1.806 8.044 0.824 80 HG23 VAL 10 HG23 VAL 10 -2.871 7.162 1.919 81 HA PRO 11 HA PRO 11 -5.742 7.322 5.645 82 HB2 PRO 11 HB2 PRO 11 -7.104 9.534 6.146 83 HB3 PRO 11 HB1 PRO 11 -5.710 9.096 7.142 84 HG2 PRO 11 HG2 PRO 11 -5.916 11.115 4.949 85 HG3 PRO 11 HG1 PRO 11 -5.049 11.220 6.491 86 HD2 PRO 11 HD2 PRO 11 -3.922 10.542 4.020 87 HD3 PRO 11 HD1 PRO 11 -3.184 10.262 5.609 88 H ARG 12 HN ARG 12 -8.218 8.284 5.139 89 HA ARG 12 HA ARG 12 -8.514 7.501 2.387 90 HB2 ARG 12 HB2 ARG 12 -10.913 7.535 2.833 91 HB3 ARG 12 HB1 ARG 12 -10.052 6.625 4.065 92 HG2 ARG 12 HG2 ARG 12 -10.311 8.382 5.645 93 HG3 ARG 12 HG1 ARG 12 -10.899 9.493 4.408 94 HD2 ARG 12 HD2 ARG 12 -12.812 8.793 5.569 95 HD3 ARG 12 HD1 ARG 12 -12.815 7.864 4.073 96 HE ARG 12 HE ARG 12 -11.671 6.634 6.469 97 HH11 ARG 12 HH11 ARG 12 -14.250 6.839 4.118 98 HH12 ARG 12 HH12 ARG 12 -15.010 5.352 4.615 99 HH21 ARG 12 HH21 ARG 12 -12.680 4.673 7.155 100 HH22 ARG 12 HH22 ARG 12 -14.125 4.132 6.350 101 H SER 13 HN SER 13 -8.771 10.469 4.194 102 HA SER 13 HA SER 13 -10.257 11.930 2.259 103 HB2 SER 13 HB2 SER 13 -8.492 12.886 4.523 104 HB3 SER 13 HB1 SER 13 -9.575 13.919 3.587 105 HG SER 13 HG SER 13 -11.317 12.654 4.324 106 H ALA 14 HN ALA 14 -7.121 10.808 2.216 107 HA ALA 14 HA ALA 14 -5.890 12.938 0.770 108 HB1 ALA 14 HB1 ALA 14 -4.565 11.394 2.086 109 HB2 ALA 14 HB2 ALA 14 -4.129 11.261 0.391 110 HB3 ALA 14 HB3 ALA 14 -5.149 10.035 1.126 111 H SER 15 HN SER 15 -5.583 13.081 -1.446 112 HA SER 15 HA SER 15 -7.570 11.845 -3.092 113 HB2 SER 15 HB2 SER 15 -6.810 14.169 -3.454 114 HB3 SER 15 HB1 SER 15 -5.200 13.574 -3.852 115 HG SER 15 HG SER 15 -5.885 13.330 -5.807 116 H ALA 16 HN ALA 16 -7.092 10.561 -5.025 117 HA ALA 16 HA ALA 16 -5.720 8.246 -4.397 118 HB1 ALA 16 HB1 ALA 16 -5.984 7.595 -6.716 119 HB2 ALA 16 HB2 ALA 16 -6.301 9.270 -7.160 120 HB3 ALA 16 HB3 ALA 16 -7.441 8.403 -6.136 121 H ASP 17 HN ASP 17 -4.591 11.023 -6.256 122 HA ASP 17 HA ASP 17 -2.108 9.953 -7.040 123 HB2 ASP 17 HB2 ASP 17 -1.447 12.395 -7.279 124 HB3 ASP 17 HB1 ASP 17 -2.844 11.869 -8.210 125 H ASP 18 HN ASP 18 -3.114 11.603 -4.110 126 HA ASP 18 HA ASP 18 -0.506 11.939 -3.035 127 HB2 ASP 18 HB2 ASP 18 -2.632 13.128 -2.270 128 HB3 ASP 18 HB1 ASP 18 -3.036 11.643 -1.413 129 H ILE 19 HN ILE 19 -2.997 9.427 -2.655 130 HA ILE 19 HA ILE 19 -1.537 7.685 -1.009 131 HB ILE 19 HB ILE 19 -3.702 7.227 -3.030 132 HG12 ILE 19 HG12 ILE 19 -4.743 6.230 -0.873 133 HG13 ILE 19 HG11 ILE 19 -3.452 7.099 -0.052 134 HG21 ILE 19 HG21 ILE 19 -2.250 5.281 -3.250 135 HG22 ILE 19 HG22 ILE 19 -3.783 4.860 -2.488 136 HG23 ILE 19 HG23 ILE 19 -2.326 5.023 -1.507 137 HD11 ILE 19 HD11 ILE 19 -5.747 8.159 -1.614 138 HD12 ILE 19 HD12 ILE 19 -4.272 9.102 -1.433 139 HD13 ILE 19 HD13 ILE 19 -5.182 8.605 -0.002 140 H LYS 20 HN LYS 20 -1.630 8.083 -4.502 141 HA LYS 20 HA LYS 20 0.085 6.015 -5.265 142 HB2 LYS 20 HB2 LYS 20 -1.349 7.465 -6.753 143 HB3 LYS 20 HB1 LYS 20 -0.154 8.738 -6.562 144 HG2 LYS 20 HG2 LYS 20 0.252 7.671 -8.638 145 HG3 LYS 20 HG1 LYS 20 1.541 7.191 -7.534 146 HD2 LYS 20 HD2 LYS 20 0.942 5.207 -8.616 147 HD3 LYS 20 HD1 LYS 20 0.118 5.118 -7.061 148 HE2 LYS 20 HE2 LYS 20 -1.201 6.098 -9.589 149 HE3 LYS 20 HE1 LYS 20 -1.239 4.418 -9.069 150 HZ1 LYS 20 HZ1 LYS 20 -2.557 6.761 -7.866 151 HZ2 LYS 20 HZ2 LYS 20 -2.181 5.425 -6.898 152 HZ3 LYS 20 HZ3 LYS 20 -3.198 5.233 -8.232 153 H LYS 21 HN LYS 21 0.747 9.359 -4.314 154 HA LYS 21 HA LYS 21 3.540 9.271 -4.724 155 HB2 LYS 21 HB2 LYS 21 1.709 11.221 -4.009 156 HB3 LYS 21 HB1 LYS 21 2.690 11.040 -2.559 157 HG2 LYS 21 HG2 LYS 21 3.693 11.654 -5.331 158 HG3 LYS 21 HG1 LYS 21 3.587 12.777 -3.977 159 HD2 LYS 21 HD2 LYS 21 5.497 12.029 -3.064 160 HD3 LYS 21 HD1 LYS 21 5.086 10.342 -3.378 161 HE2 LYS 21 HE2 LYS 21 7.105 11.054 -4.587 162 HE3 LYS 21 HE1 LYS 21 5.808 10.541 -5.665 163 HZ1 LYS 21 HZ1 LYS 21 6.495 13.361 -5.013 164 HZ2 LYS 21 HZ2 LYS 21 5.283 12.861 -6.090 165 HZ3 LYS 21 HZ3 LYS 21 6.914 12.555 -6.444 166 H ALA 22 HN ALA 22 1.520 8.679 -1.873 167 HA ALA 22 HA ALA 22 3.584 8.291 -0.016 168 HB1 ALA 22 HB1 ALA 22 1.949 7.200 1.368 169 HB2 ALA 22 HB2 ALA 22 0.894 6.921 -0.014 170 HB3 ALA 22 HB3 ALA 22 1.184 8.565 0.556 171 H TYR 23 HN TYR 23 1.947 6.015 -2.174 172 HA TYR 23 HA TYR 23 3.397 3.730 -1.400 173 HB2 TYR 23 HB2 TYR 23 1.636 3.043 -2.639 174 HB3 TYR 23 HB1 TYR 23 1.639 4.486 -3.651 175 HD1 TYR 23 HD2 TYR 23 3.187 1.158 -3.174 176 HD2 TYR 23 HD1 TYR 23 2.698 4.476 -5.789 177 HE1 TYR 23 HE2 TYR 23 4.188 -0.143 -5.001 178 HE2 TYR 23 HE1 TYR 23 3.694 3.182 -7.626 179 HH TYR 23 HH TYR 23 5.278 1.218 -7.851 180 H ARG 24 HN ARG 24 4.056 6.222 -3.837 181 HA ARG 24 HA ARG 24 6.244 4.881 -5.013 182 HB2 ARG 24 HB2 ARG 24 5.487 7.805 -4.953 183 HB3 ARG 24 HB1 ARG 24 6.897 7.206 -5.814 184 HG2 ARG 24 HG2 ARG 24 5.516 5.885 -7.260 185 HG3 ARG 24 HG1 ARG 24 4.077 6.299 -6.320 186 HD2 ARG 24 HD2 ARG 24 4.412 8.655 -6.859 187 HD3 ARG 24 HD1 ARG 24 5.828 8.237 -7.818 188 HE ARG 24 HE ARG 24 3.545 6.816 -8.732 189 HH11 ARG 24 HH11 ARG 24 5.077 9.961 -8.778 190 HH12 ARG 24 HH12 ARG 24 4.334 10.452 -10.265 191 HH21 ARG 24 HH21 ARG 24 2.559 7.464 -10.700 192 HH22 ARG 24 HH22 ARG 24 2.891 9.039 -11.355 193 H ARG 25 HN ARG 25 6.105 7.303 -2.400 194 HA ARG 25 HA ARG 25 8.938 7.438 -2.130 195 HB2 ARG 25 HB2 ARG 25 8.513 8.603 -0.010 196 HB3 ARG 25 HB1 ARG 25 7.550 9.263 -1.323 197 HG2 ARG 25 HG2 ARG 25 5.589 8.099 -0.510 198 HG3 ARG 25 HG1 ARG 25 6.545 7.343 0.768 199 HD2 ARG 25 HD2 ARG 25 6.987 9.482 1.769 200 HD3 ARG 25 HD1 ARG 25 6.204 10.315 0.428 201 HE ARG 25 HE ARG 25 4.526 8.461 1.905 202 HH11 ARG 25 HH11 ARG 25 5.648 11.753 1.529 203 HH12 ARG 25 HH12 ARG 25 4.275 12.454 2.339 204 HH21 ARG 25 HH21 ARG 25 2.704 9.362 2.955 205 HH22 ARG 25 HH22 ARG 25 2.579 11.093 3.110 206 H LYS 26 HN LYS 26 6.422 5.558 -0.541 207 HA LYS 26 HA LYS 26 8.069 4.250 1.339 208 HB2 LYS 26 HB2 LYS 26 5.634 4.282 1.515 209 HB3 LYS 26 HB1 LYS 26 5.490 3.377 0.016 210 HG2 LYS 26 HG2 LYS 26 6.604 1.467 1.088 211 HG3 LYS 26 HG1 LYS 26 6.674 2.379 2.596 212 HD2 LYS 26 HD2 LYS 26 4.019 2.181 1.318 213 HD3 LYS 26 HD1 LYS 26 4.678 0.680 1.963 214 HE2 LYS 26 HE2 LYS 26 3.286 1.805 3.613 215 HE3 LYS 26 HE1 LYS 26 4.960 1.730 4.147 216 HZ1 LYS 26 HZ1 LYS 26 3.848 3.883 4.552 217 HZ2 LYS 26 HZ2 LYS 26 3.733 4.129 2.884 218 HZ3 LYS 26 HZ3 LYS 26 5.257 4.017 3.627 219 H ALA 27 HN ALA 27 7.131 3.521 -1.979 220 HA ALA 27 HA ALA 27 8.460 1.050 -2.247 221 HB1 ALA 27 HB1 ALA 27 8.189 2.889 -4.576 222 HB2 ALA 27 HB2 ALA 27 6.731 2.280 -3.801 223 HB3 ALA 27 HB3 ALA 27 7.909 1.150 -4.476 224 H LEU 28 HN LEU 28 9.507 4.382 -2.777 225 HA LEU 28 HA LEU 28 11.997 3.864 -3.947 226 HB2 LEU 28 HB2 LEU 28 10.575 6.111 -2.999 227 HB3 LEU 28 HB1 LEU 28 12.131 6.143 -2.195 228 HG LEU 28 HG LEU 28 12.169 7.483 -4.226 229 HD11 LEU 28 HD11 LEU 28 14.227 6.380 -3.536 230 HD12 LEU 28 HD12 LEU 28 14.130 6.486 -5.293 231 HD13 LEU 28 HD13 LEU 28 13.795 4.955 -4.483 232 HD21 LEU 28 HD21 LEU 28 11.818 6.558 -6.401 233 HD22 LEU 28 HD22 LEU 28 10.415 6.160 -5.405 234 HD23 LEU 28 HD23 LEU 28 11.637 4.935 -5.736 235 H GLN 29 HN GLN 29 11.029 4.045 -0.556 236 HA GLN 29 HA GLN 29 13.608 4.004 0.571 237 HB2 GLN 29 HB2 GLN 29 11.011 2.978 1.724 238 HB3 GLN 29 HB1 GLN 29 12.481 3.275 2.644 239 HG2 GLN 29 HG2 GLN 29 10.810 5.315 1.198 240 HG3 GLN 29 HG1 GLN 29 10.944 5.100 2.941 241 HE21 GLN 29 HE21 GLN 29 12.488 6.266 0.068 242 HE22 GLN 29 HE22 GLN 29 13.759 7.149 0.847 243 H TRP 30 HN TRP 30 11.469 1.428 -0.474 244 HA TRP 30 HA TRP 30 13.479 -0.538 0.379 245 HB2 TRP 30 HB2 TRP 30 10.512 -0.914 -0.088 246 HB3 TRP 30 HB1 TRP 30 11.636 -2.202 0.336 247 HD1 TRP 30 HD1 TRP 30 13.274 -0.809 2.620 248 HE1 TRP 30 HE1 TRP 30 12.167 -0.285 4.886 249 HE3 TRP 30 HE3 TRP 30 8.377 -0.819 1.143 250 HZ2 TRP 30 HZ2 TRP 30 9.555 0.065 5.906 251 HZ3 TRP 30 HZ3 TRP 30 6.640 -0.384 2.830 252 HH2 TRP 30 HH2 TRP 30 7.215 0.048 5.159 253 H HIS 31 HN HIS 31 13.241 1.101 -2.160 254 HA HIS 31 HA HIS 31 12.696 -0.760 -4.270 255 HB2 HIS 31 HB2 HIS 31 13.121 1.997 -4.069 256 HB3 HIS 31 HB1 HIS 31 14.514 1.408 -4.969 257 HD1 HIS 31 HD1 HIS 31 14.154 0.770 -7.399 258 HD2 HIS 31 HD2 HIS 31 10.600 1.541 -5.362 259 HE1 HIS 31 HE1 HIS 31 12.365 0.864 -9.158 260 HE2 HIS 31 HE2 HIS 31 10.287 1.568 -7.932 261 HA PRO 32 HA PRO 32 16.396 -3.173 -4.203 262 HB2 PRO 32 HB2 PRO 32 16.689 -3.453 -6.959 263 HB3 PRO 32 HB1 PRO 32 15.701 -4.486 -5.924 264 HG2 PRO 32 HG2 PRO 32 14.890 -2.172 -7.627 265 HG3 PRO 32 HG1 PRO 32 14.043 -3.701 -7.331 266 HD2 PRO 32 HD2 PRO 32 13.270 -1.445 -6.134 267 HD3 PRO 32 HD1 PRO 32 13.240 -2.997 -5.266 268 H ASP 33 HN ASP 33 16.154 -0.380 -6.290 269 HA ASP 33 HA ASP 33 18.881 0.011 -6.867 270 HB2 ASP 33 HB2 ASP 33 16.837 2.207 -6.504 271 HB3 ASP 33 HB1 ASP 33 18.258 2.218 -7.540 272 H LYS 34 HN LYS 34 16.920 0.763 -4.083 273 HA LYS 34 HA LYS 34 19.127 2.287 -2.875 274 HB2 LYS 34 HB2 LYS 34 16.160 2.523 -2.366 275 HB3 LYS 34 HB1 LYS 34 17.411 3.481 -1.598 276 HG2 LYS 34 HG2 LYS 34 16.711 3.500 -4.527 277 HG3 LYS 34 HG1 LYS 34 16.311 4.750 -3.347 278 HD2 LYS 34 HD2 LYS 34 18.704 5.144 -2.972 279 HD3 LYS 34 HD1 LYS 34 19.082 3.908 -4.173 280 HE2 LYS 34 HE2 LYS 34 17.488 6.404 -4.744 281 HE3 LYS 34 HE1 LYS 34 19.222 6.253 -5.022 282 HZ1 LYS 34 HZ1 LYS 34 18.061 5.856 -7.057 283 HZ2 LYS 34 HZ2 LYS 34 17.072 4.678 -6.344 284 HZ3 LYS 34 HZ3 LYS 34 18.734 4.391 -6.540 285 H ASN 35 HN ASN 35 18.351 -0.656 -2.863 286 HA ASN 35 HA ASN 35 18.070 -1.002 0.050 287 HB2 ASN 35 HB2 ASN 35 16.145 -1.928 -1.182 288 HB3 ASN 35 HB1 ASN 35 17.240 -2.879 -2.186 289 HD21 ASN 35 HD21 ASN 35 15.790 -2.523 0.936 290 HD22 ASN 35 HD22 ASN 35 16.211 -4.096 1.523 291 HA PRO 36 HA PRO 36 22.105 -2.798 -0.353 292 HB2 PRO 36 HB2 PRO 36 22.537 -3.285 2.272 293 HB3 PRO 36 HB1 PRO 36 22.554 -1.663 1.577 294 HG2 PRO 36 HG2 PRO 36 20.540 -2.944 3.302 295 HG3 PRO 36 HG1 PRO 36 20.872 -1.226 3.040 296 HD2 PRO 36 HD2 PRO 36 18.793 -2.813 1.877 297 HD3 PRO 36 HD1 PRO 36 19.154 -1.103 1.585 298 H ASP 37 HN ASP 37 21.652 -4.668 2.461 299 HA ASP 37 HA ASP 37 22.000 -7.055 0.810 300 HB2 ASP 37 HB2 ASP 37 22.616 -6.493 3.695 301 HB3 ASP 37 HB1 ASP 37 22.729 -8.100 2.995 302 H ASN 38 HN ASN 38 19.497 -5.615 2.521 303 HA ASN 38 HA ASN 38 18.282 -8.220 3.147 304 HB2 ASN 38 HB2 ASN 38 17.523 -5.423 4.027 305 HB3 ASN 38 HB1 ASN 38 16.602 -6.869 4.421 306 HD21 ASN 38 HD21 ASN 38 17.408 -8.321 5.915 307 HD22 ASN 38 HD22 ASN 38 18.720 -7.925 6.972 308 H LYS 39 HN LYS 39 17.328 -8.961 1.317 309 HA LYS 39 HA LYS 39 16.017 -6.988 -0.423 310 HB2 LYS 39 HB2 LYS 39 16.598 -9.837 -1.190 311 HB3 LYS 39 HB1 LYS 39 16.340 -8.454 -2.241 312 HG2 LYS 39 HG2 LYS 39 18.763 -8.977 -0.529 313 HG3 LYS 39 HG1 LYS 39 18.656 -9.131 -2.282 314 HD2 LYS 39 HD2 LYS 39 18.314 -6.578 -0.710 315 HD3 LYS 39 HD1 LYS 39 19.758 -7.048 -1.604 316 HE2 LYS 39 HE2 LYS 39 17.030 -6.627 -2.815 317 HE3 LYS 39 HE1 LYS 39 18.331 -5.439 -2.820 318 HZ1 LYS 39 HZ1 LYS 39 19.677 -7.249 -3.964 319 HZ2 LYS 39 HZ2 LYS 39 18.475 -6.468 -4.870 320 HZ3 LYS 39 HZ3 LYS 39 18.190 -8.021 -4.250 321 H GLU 40 HN GLU 40 15.444 -9.799 1.498 322 HA GLU 40 HA GLU 40 13.109 -10.763 0.275 323 HB2 GLU 40 HB2 GLU 40 14.466 -12.004 1.944 324 HB3 GLU 40 HB1 GLU 40 13.877 -10.923 3.193 325 HG2 GLU 40 HG2 GLU 40 11.560 -11.684 2.641 326 HG3 GLU 40 HG1 GLU 40 12.282 -12.900 1.587 327 H PHE 41 HN PHE 41 13.558 -8.500 2.974 328 HA PHE 41 HA PHE 41 10.748 -8.154 3.316 329 HB2 PHE 41 HB2 PHE 41 11.225 -6.776 5.087 330 HB3 PHE 41 HB1 PHE 41 12.714 -7.702 5.006 331 HD1 PHE 41 HD1 PHE 41 14.654 -6.611 3.638 332 HD2 PHE 41 HD2 PHE 41 11.286 -4.495 5.146 333 HE1 PHE 41 HE1 PHE 41 15.925 -4.506 3.523 334 HE2 PHE 41 HE2 PHE 41 12.550 -2.391 5.031 335 HZ PHE 41 HZ PHE 41 14.873 -2.394 4.218 336 H ALA 42 HN ALA 42 13.226 -6.490 1.466 337 HA ALA 42 HA ALA 42 11.746 -4.173 0.855 338 HB1 ALA 42 HB1 ALA 42 14.031 -5.547 -0.540 339 HB2 ALA 42 HB2 ALA 42 14.063 -4.059 0.413 340 HB3 ALA 42 HB3 ALA 42 13.295 -4.078 -1.174 341 H GLU 43 HN GLU 43 12.033 -7.301 -0.816 342 HA GLU 43 HA GLU 43 10.444 -6.506 -3.035 343 HB2 GLU 43 HB2 GLU 43 10.410 -8.881 -3.638 344 HB3 GLU 43 HB1 GLU 43 12.031 -8.347 -3.227 345 HG2 GLU 43 HG2 GLU 43 11.797 -9.360 -1.014 346 HG3 GLU 43 HG1 GLU 43 10.179 -9.909 -1.449 347 H LYS 44 HN LYS 44 9.713 -8.240 -0.022 348 HA LYS 44 HA LYS 44 7.022 -8.798 -0.741 349 HB2 LYS 44 HB2 LYS 44 8.367 -8.722 1.958 350 HB3 LYS 44 HB1 LYS 44 6.727 -9.296 1.686 351 HG2 LYS 44 HG2 LYS 44 7.722 -10.965 0.067 352 HG3 LYS 44 HG1 LYS 44 9.299 -10.498 0.712 353 HD2 LYS 44 HD2 LYS 44 8.528 -12.448 1.891 354 HD3 LYS 44 HD1 LYS 44 8.476 -11.058 2.982 355 HE2 LYS 44 HE2 LYS 44 6.065 -10.809 2.490 356 HE3 LYS 44 HE1 LYS 44 6.146 -12.254 1.483 357 HZ1 LYS 44 HZ1 LYS 44 6.830 -13.512 3.457 358 HZ2 LYS 44 HZ2 LYS 44 5.302 -12.804 3.644 359 HZ3 LYS 44 HZ3 LYS 44 6.651 -12.115 4.407 360 H LYS 45 HN LYS 45 8.569 -6.130 0.988 361 HA LYS 45 HA LYS 45 6.135 -4.983 1.890 362 HB2 LYS 45 HB2 LYS 45 8.909 -3.861 1.586 363 HB3 LYS 45 HB1 LYS 45 7.558 -2.886 2.150 364 HG2 LYS 45 HG2 LYS 45 8.755 -5.308 3.454 365 HG3 LYS 45 HG1 LYS 45 8.665 -3.661 4.084 366 HD2 LYS 45 HD2 LYS 45 6.226 -3.839 4.159 367 HD3 LYS 45 HD1 LYS 45 6.341 -5.477 3.535 368 HE2 LYS 45 HE2 LYS 45 7.593 -6.141 5.527 369 HE3 LYS 45 HE1 LYS 45 7.444 -4.504 6.163 370 HZ1 LYS 45 HZ1 LYS 45 5.102 -4.745 6.330 371 HZ2 LYS 45 HZ2 LYS 45 5.781 -6.133 7.033 372 HZ3 LYS 45 HZ3 LYS 45 5.112 -6.210 5.473 373 H PHE 46 HN PHE 46 8.089 -4.595 -0.996 374 HA PHE 46 HA PHE 46 6.633 -2.478 -2.154 375 HB2 PHE 46 HB2 PHE 46 8.822 -3.294 -3.005 376 HB3 PHE 46 HB1 PHE 46 8.028 -4.763 -3.572 377 HD1 PHE 46 HD1 PHE 46 8.297 -1.126 -4.043 378 HD2 PHE 46 HD2 PHE 46 6.775 -4.787 -5.586 379 HE1 PHE 46 HE1 PHE 46 7.766 -0.006 -6.166 380 HE2 PHE 46 HE2 PHE 46 6.240 -3.673 -7.712 381 HZ PHE 46 HZ PHE 46 6.734 -1.281 -8.003 382 H LYS 47 HN LYS 47 6.185 -5.970 -2.181 383 HA LYS 47 HA LYS 47 3.971 -6.039 -3.931 384 HB2 LYS 47 HB2 LYS 47 5.366 -8.005 -3.275 385 HB3 LYS 47 HB1 LYS 47 4.630 -7.948 -1.680 386 HG2 LYS 47 HG2 LYS 47 2.452 -8.409 -2.637 387 HG3 LYS 47 HG1 LYS 47 3.146 -8.399 -4.261 388 HD2 LYS 47 HD2 LYS 47 4.625 -10.283 -3.569 389 HD3 LYS 47 HD1 LYS 47 3.758 -10.337 -2.031 390 HE2 LYS 47 HE2 LYS 47 1.702 -10.887 -3.142 391 HE3 LYS 47 HE1 LYS 47 2.441 -10.647 -4.725 392 HZ1 LYS 47 HZ1 LYS 47 3.068 -12.789 -2.770 393 HZ2 LYS 47 HZ2 LYS 47 3.966 -12.500 -4.170 394 HZ3 LYS 47 HZ3 LYS 47 2.344 -12.973 -4.292 395 H GLU 48 HN GLU 48 4.232 -5.802 -0.401 396 HA GLU 48 HA GLU 48 1.456 -5.926 0.108 397 HB2 GLU 48 HB2 GLU 48 3.692 -4.791 1.794 398 HB3 GLU 48 HB1 GLU 48 2.037 -4.999 2.353 399 HG2 GLU 48 HG2 GLU 48 2.306 -7.451 1.755 400 HG3 GLU 48 HG1 GLU 48 4.029 -7.115 1.606 401 H VAL 49 HN VAL 49 3.647 -3.132 -0.324 402 HA VAL 49 HA VAL 49 1.636 -1.218 0.231 403 HB VAL 49 HB VAL 49 3.937 -0.510 0.327 404 HG11 VAL 49 HG11 VAL 49 5.302 -0.211 -1.683 405 HG12 VAL 49 HG12 VAL 49 4.054 -1.038 -2.605 406 HG13 VAL 49 HG13 VAL 49 4.931 -1.902 -1.353 407 HG21 VAL 49 HG21 VAL 49 3.812 1.576 -0.858 408 HG22 VAL 49 HG22 VAL 49 2.209 1.165 -0.251 409 HG23 VAL 49 HG23 VAL 49 2.597 0.918 -1.951 410 H ALA 50 HN ALA 50 2.602 -2.852 -2.737 411 HA ALA 50 HA ALA 50 1.200 -1.218 -4.544 412 HB1 ALA 50 HB1 ALA 50 1.759 -4.168 -4.801 413 HB2 ALA 50 HB2 ALA 50 2.900 -2.883 -5.186 414 HB3 ALA 50 HB3 ALA 50 1.407 -3.041 -6.111 415 H GLU 51 HN GLU 51 0.190 -4.181 -2.844 416 HA GLU 51 HA GLU 51 -2.411 -4.206 -4.028 417 HB2 GLU 51 HB2 GLU 51 -2.943 -5.913 -2.327 418 HB3 GLU 51 HB1 GLU 51 -1.433 -6.259 -3.159 419 HG2 GLU 51 HG2 GLU 51 -0.190 -5.356 -1.246 420 HG3 GLU 51 HG1 GLU 51 -1.712 -5.055 -0.413 421 H ALA 52 HN ALA 52 -1.030 -2.886 -1.105 422 HA ALA 52 HA ALA 52 -3.530 -2.327 0.148 423 HB1 ALA 52 HB1 ALA 52 -1.369 -2.803 1.303 424 HB2 ALA 52 HB2 ALA 52 -2.246 -1.388 1.900 425 HB3 ALA 52 HB3 ALA 52 -0.845 -1.179 0.848 426 H TYR 53 HN TYR 53 -1.190 -0.392 -1.691 427 HA TYR 53 HA TYR 53 -2.597 2.048 -1.240 428 HB2 TYR 53 HB2 TYR 53 -0.894 3.061 -2.337 429 HB3 TYR 53 HB1 TYR 53 -0.102 1.501 -2.167 430 HD1 TYR 53 HD2 TYR 53 -1.810 3.774 -4.498 431 HD2 TYR 53 HD1 TYR 53 0.258 0.081 -4.091 432 HE1 TYR 53 HE2 TYR 53 -1.581 3.639 -6.939 433 HE2 TYR 53 HE1 TYR 53 0.497 -0.061 -6.534 434 HH TYR 53 HH TYR 53 -0.578 0.795 -8.541 435 H GLU 54 HN GLU 54 -2.679 -0.469 -3.684 436 HA GLU 54 HA GLU 54 -4.277 0.850 -5.579 437 HB2 GLU 54 HB2 GLU 54 -3.081 -1.319 -5.936 438 HB3 GLU 54 HB1 GLU 54 -4.303 -2.106 -4.947 439 HG2 GLU 54 HG2 GLU 54 -5.998 -1.140 -6.600 440 HG3 GLU 54 HG1 GLU 54 -4.607 -0.835 -7.640 441 H VAL 55 HN VAL 55 -5.178 -1.233 -2.832 442 HA VAL 55 HA VAL 55 -7.953 -1.104 -3.364 443 HB VAL 55 HB VAL 55 -6.988 -2.895 -1.987 444 HG11 VAL 55 HG11 VAL 55 -6.421 -2.515 0.353 445 HG12 VAL 55 HG12 VAL 55 -6.639 -0.778 0.123 446 HG13 VAL 55 HG13 VAL 55 -5.348 -1.628 -0.731 447 HG21 VAL 55 HG21 VAL 55 -8.730 -2.937 -0.245 448 HG22 VAL 55 HG22 VAL 55 -9.356 -2.482 -1.829 449 HG23 VAL 55 HG23 VAL 55 -9.092 -1.247 -0.599 450 H LEU 56 HN LEU 56 -5.821 0.876 -1.352 451 HA LEU 56 HA LEU 56 -7.948 2.386 -0.198 452 HB2 LEU 56 HB2 LEU 56 -5.848 2.217 0.960 453 HB3 LEU 56 HB1 LEU 56 -4.986 2.898 -0.403 454 HG LEU 56 HG LEU 56 -6.065 5.066 -0.015 455 HD11 LEU 56 HD11 LEU 56 -7.384 5.471 1.982 456 HD12 LEU 56 HD12 LEU 56 -7.298 3.760 2.402 457 HD13 LEU 56 HD13 LEU 56 -8.164 4.271 0.952 458 HD21 LEU 56 HD21 LEU 56 -3.933 4.613 1.033 459 HD22 LEU 56 HD22 LEU 56 -4.755 3.903 2.418 460 HD23 LEU 56 HD23 LEU 56 -4.936 5.621 2.078 461 H SER 57 HN SER 57 -6.155 2.629 -3.159 462 HA SER 57 HA SER 57 -6.757 5.406 -3.585 463 HB2 SER 57 HB2 SER 57 -4.719 4.250 -4.489 464 HB3 SER 57 HB1 SER 57 -5.767 3.354 -5.584 465 HG SER 57 HG SER 57 -6.229 5.187 -6.674 466 H ASP 58 HN ASP 58 -8.365 2.422 -4.103 467 HA ASP 58 HA ASP 58 -10.298 3.737 -5.904 468 HB2 ASP 58 HB2 ASP 58 -9.724 0.791 -5.529 469 HB3 ASP 58 HB1 ASP 58 -11.056 1.422 -6.484 470 H LYS 59 HN LYS 59 -12.152 4.282 -5.003 471 HA LYS 59 HA LYS 59 -12.933 3.470 -2.394 472 HB2 LYS 59 HB2 LYS 59 -14.568 4.792 -4.575 473 HB3 LYS 59 HB1 LYS 59 -15.113 4.556 -2.921 474 HG2 LYS 59 HG2 LYS 59 -14.396 6.715 -2.823 475 HG3 LYS 59 HG1 LYS 59 -12.927 5.869 -2.335 476 HD2 LYS 59 HD2 LYS 59 -12.200 7.438 -3.914 477 HD3 LYS 59 HD1 LYS 59 -12.298 5.920 -4.810 478 HE2 LYS 59 HE2 LYS 59 -14.413 6.556 -5.756 479 HE3 LYS 59 HE1 LYS 59 -14.462 8.013 -4.765 480 HZ1 LYS 59 HZ1 LYS 59 -12.431 8.759 -5.920 481 HZ2 LYS 59 HZ2 LYS 59 -13.759 8.583 -6.960 482 HZ3 LYS 59 HZ3 LYS 59 -12.533 7.408 -6.943 483 H HIS 60 HN HIS 60 -13.657 2.469 -5.635 484 HA HIS 60 HA HIS 60 -15.706 0.607 -4.952 485 HB2 HIS 60 HB2 HIS 60 -13.927 0.808 -7.382 486 HB3 HIS 60 HB1 HIS 60 -15.215 -0.381 -7.218 487 HD1 HIS 60 HD1 HIS 60 -17.588 1.073 -6.335 488 HD2 HIS 60 HD2 HIS 60 -14.826 2.832 -8.911 489 HE1 HIS 60 HE1 HIS 60 -18.833 2.913 -7.522 490 HE2 HIS 60 HE2 HIS 60 -17.109 4.052 -8.973 491 H LYS 61 HN LYS 61 -12.209 0.405 -5.096 492 HA LYS 61 HA LYS 61 -12.070 -2.443 -4.876 493 HB2 LYS 61 HB2 LYS 61 -10.252 -0.732 -5.627 494 HB3 LYS 61 HB1 LYS 61 -9.933 -0.573 -3.909 495 HG2 LYS 61 HG2 LYS 61 -8.388 -2.134 -4.858 496 HG3 LYS 61 HG1 LYS 61 -9.499 -2.995 -3.797 497 HD2 LYS 61 HD2 LYS 61 -9.068 -4.196 -5.913 498 HD3 LYS 61 HD1 LYS 61 -10.770 -3.784 -5.691 499 HE2 LYS 61 HE2 LYS 61 -10.114 -3.351 -7.978 500 HE3 LYS 61 HE1 LYS 61 -10.475 -1.840 -7.151 501 HZ1 LYS 61 HZ1 LYS 61 -8.395 -1.987 -8.624 502 HZ2 LYS 61 HZ2 LYS 61 -7.686 -2.811 -7.322 503 HZ3 LYS 61 HZ3 LYS 61 -8.262 -1.224 -7.120 504 H ARG 62 HN ARG 62 -11.930 0.259 -2.614 505 HA ARG 62 HA ARG 62 -11.545 -1.213 -0.262 506 HB2 ARG 62 HB2 ARG 62 -12.690 1.480 -0.874 507 HB3 ARG 62 HB1 ARG 62 -12.815 0.833 0.757 508 HG2 ARG 62 HG2 ARG 62 -10.398 0.633 0.883 509 HG3 ARG 62 HG1 ARG 62 -10.250 1.230 -0.772 510 HD2 ARG 62 HD2 ARG 62 -9.863 2.931 1.050 511 HD3 ARG 62 HD1 ARG 62 -11.062 3.368 -0.170 512 HE ARG 62 HE ARG 62 -11.815 2.257 2.455 513 HH11 ARG 62 HH11 ARG 62 -12.098 4.699 -0.035 514 HH12 ARG 62 HH12 ARG 62 -13.570 5.368 0.618 515 HH21 ARG 62 HH21 ARG 62 -13.709 3.141 3.334 516 HH22 ARG 62 HH22 ARG 62 -14.471 4.496 2.550 517 H GLU 63 HN GLU 63 -14.554 -0.257 -1.921 518 HA GLU 63 HA GLU 63 -16.236 -1.299 0.110 519 HB2 GLU 63 HB2 GLU 63 -18.063 -0.997 -1.381 520 HB3 GLU 63 HB1 GLU 63 -16.961 0.345 -1.645 521 HG2 GLU 63 HG2 GLU 63 -16.160 -0.623 -3.667 522 HG3 GLU 63 HG1 GLU 63 -17.047 -2.115 -3.362 523 H ILE 64 HN ILE 64 -14.747 -2.711 -2.754 524 HA ILE 64 HA ILE 64 -16.082 -5.199 -2.641 525 HB ILE 64 HB ILE 64 -13.378 -4.435 -3.752 526 HG12 ILE 64 HG12 ILE 64 -15.286 -3.521 -4.955 527 HG13 ILE 64 HG11 ILE 64 -14.521 -4.779 -5.918 528 HG21 ILE 64 HG21 ILE 64 -14.768 -7.110 -3.927 529 HG22 ILE 64 HG22 ILE 64 -13.239 -6.767 -3.114 530 HG23 ILE 64 HG23 ILE 64 -13.354 -6.636 -4.871 531 HD11 ILE 64 HD11 ILE 64 -16.935 -4.926 -6.057 532 HD12 ILE 64 HD12 ILE 64 -17.045 -5.074 -4.303 533 HD13 ILE 64 HD13 ILE 64 -16.275 -6.349 -5.248 534 H TYR 65 HN TYR 65 -13.048 -4.056 -1.214 535 HA TYR 65 HA TYR 65 -12.334 -6.366 0.193 536 HB2 TYR 65 HB2 TYR 65 -10.902 -4.370 -0.111 537 HB3 TYR 65 HB1 TYR 65 -11.933 -3.468 0.987 538 HD1 TYR 65 HD2 TYR 65 -12.013 -4.159 3.419 539 HD2 TYR 65 HD1 TYR 65 -9.160 -5.735 0.687 540 HE1 TYR 65 HE2 TYR 65 -10.607 -4.863 5.306 541 HE2 TYR 65 HE1 TYR 65 -7.743 -6.445 2.567 542 HH TYR 65 HH TYR 65 -8.775 -6.756 5.630 543 H ASP 66 HN ASP 66 -14.583 -3.791 0.910 544 HA ASP 66 HA ASP 66 -15.043 -4.457 3.638 545 HB2 ASP 66 HB2 ASP 66 -15.415 -2.214 2.752 546 HB3 ASP 66 HB1 ASP 66 -16.656 -2.825 1.672 547 H ARG 67 HN ARG 67 -16.912 -5.042 0.652 548 HA ARG 67 HA ARG 67 -18.899 -6.504 2.173 549 HB2 ARG 67 HB2 ARG 67 -20.141 -6.604 0.101 550 HB3 ARG 67 HB1 ARG 67 -19.568 -4.970 0.390 551 HG2 ARG 67 HG2 ARG 67 -17.574 -5.733 -1.131 552 HG3 ARG 67 HG1 ARG 67 -18.746 -6.928 -1.693 553 HD2 ARG 67 HD2 ARG 67 -19.085 -3.944 -1.665 554 HD3 ARG 67 HD1 ARG 67 -18.815 -4.948 -3.092 555 HE ARG 67 HE ARG 67 -21.047 -6.028 -2.036 556 HH11 ARG 67 HH11 ARG 67 -20.178 -2.725 -2.879 557 HH12 ARG 67 HH12 ARG 67 -21.815 -2.243 -3.163 558 HH21 ARG 67 HH21 ARG 67 -23.198 -5.369 -2.383 559 HH22 ARG 67 HH22 ARG 67 -23.536 -3.740 -2.897 560 H TYR 68 HN TYR 68 -16.319 -7.285 -0.115 561 HA TYR 68 HA TYR 68 -17.289 -10.041 -0.251 562 HB2 TYR 68 HB2 TYR 68 -16.615 -8.716 -2.328 563 HB3 TYR 68 HB1 TYR 68 -14.953 -8.887 -1.777 564 HD1 TYR 68 HD1 TYR 68 -17.959 -10.871 -2.699 565 HD2 TYR 68 HD2 TYR 68 -13.724 -10.803 -2.325 566 HE1 TYR 68 HE1 TYR 68 -17.832 -13.061 -3.809 567 HE2 TYR 68 HE2 TYR 68 -13.585 -12.989 -3.433 568 HH TYR 68 HH TYR 68 -15.065 -14.965 -3.772 569 H GLY 69 HN GLY 69 -15.110 -8.184 1.498 570 HA2 GLY 69 HA2 GLY 69 -12.999 -9.985 1.970 571 HA3 GLY 69 HA1 GLY 69 -13.553 -8.738 3.081 572 H ARG 70 HN ARG 70 -15.999 -9.441 3.689 573 HA ARG 70 HA ARG 70 -15.731 -11.457 5.625 574 HB2 ARG 70 HB2 ARG 70 -18.267 -10.272 4.476 575 HB3 ARG 70 HB1 ARG 70 -18.151 -11.189 5.971 576 HG2 ARG 70 HG2 ARG 70 -16.796 -8.551 5.438 577 HG3 ARG 70 HG1 ARG 70 -18.281 -8.776 6.366 578 HD2 ARG 70 HD2 ARG 70 -17.077 -10.151 7.978 579 HD3 ARG 70 HD1 ARG 70 -15.597 -9.977 7.038 580 HE ARG 70 HE ARG 70 -16.409 -7.406 7.614 581 HH11 ARG 70 HH11 ARG 70 -15.588 -10.274 9.435 582 HH12 ARG 70 HH12 ARG 70 -14.964 -9.402 10.801 583 HH21 ARG 70 HH21 ARG 70 -15.569 -6.220 9.418 584 HH22 ARG 70 HH22 ARG 70 -14.947 -7.098 10.789 585 H GLU 71 HN GLU 71 -16.651 -11.590 2.302 586 HA GLU 71 HA GLU 71 -18.177 -13.998 2.419 587 HB2 GLU 71 HB2 GLU 71 -16.809 -12.792 0.011 588 HB3 GLU 71 HB1 GLU 71 -18.153 -13.925 0.008 589 HG2 GLU 71 HG2 GLU 71 -18.208 -11.075 0.975 590 HG3 GLU 71 HG1 GLU 71 -18.938 -11.703 -0.502 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -9.493 3.440 14.647 2 H2 MET 1 HT2 MET 1 -9.491 4.415 13.261 3 H3 MET 1 HT3 MET 1 -8.447 3.083 13.356 4 HA MET 1 HA MET 1 -10.369 1.599 13.445 5 HB2 MET 1 HB2 MET 1 -11.833 4.198 12.997 6 HB3 MET 1 HB1 MET 1 -12.545 2.629 12.650 7 HG2 MET 1 HG2 MET 1 -11.533 3.505 15.345 8 HG3 MET 1 HG1 MET 1 -13.219 3.552 14.831 9 HE1 MET 1 HE1 MET 1 -13.576 0.927 13.162 10 HE2 MET 1 HE2 MET 1 -14.717 1.437 14.408 11 HE3 MET 1 HE3 MET 1 -14.096 -0.215 14.401 12 H ALA 2 HN ALA 2 -9.755 4.397 11.342 13 HA ALA 2 HA ALA 2 -10.539 3.134 8.942 14 HB1 ALA 2 HB1 ALA 2 -10.297 5.573 9.185 15 HB2 ALA 2 HB2 ALA 2 -9.421 4.940 7.792 16 HB3 ALA 2 HB3 ALA 2 -8.547 5.374 9.261 17 H SER 3 HN SER 3 -7.349 3.557 10.421 18 HA SER 3 HA SER 3 -5.500 2.268 10.442 19 HB2 SER 3 HB2 SER 3 -7.129 0.419 10.769 20 HB3 SER 3 HB1 SER 3 -7.168 0.180 9.024 21 HG SER 3 HG SER 3 -5.640 -1.208 9.599 22 H TYR 4 HN TYR 4 -6.952 3.150 7.489 23 HA TYR 4 HA TYR 4 -5.192 1.969 5.655 24 HB2 TYR 4 HB2 TYR 4 -6.680 2.883 4.264 25 HB3 TYR 4 HB1 TYR 4 -7.360 3.794 5.598 26 HD1 TYR 4 HD1 TYR 4 -4.611 3.973 3.067 27 HD2 TYR 4 HD2 TYR 4 -7.347 6.100 5.538 28 HE1 TYR 4 HE1 TYR 4 -3.956 6.078 1.980 29 HE2 TYR 4 HE2 TYR 4 -6.694 8.205 4.458 30 HH TYR 4 HH TYR 4 -4.744 8.276 1.615 31 H TYR 5 HN TYR 5 -4.985 5.036 7.381 32 HA TYR 5 HA TYR 5 -2.611 5.935 6.207 33 HB2 TYR 5 HB2 TYR 5 -2.294 7.065 8.544 34 HB3 TYR 5 HB1 TYR 5 -3.604 7.569 7.485 35 HD1 TYR 5 HD1 TYR 5 -2.780 5.636 10.521 36 HD2 TYR 5 HD2 TYR 5 -5.876 7.250 8.096 37 HE1 TYR 5 HE1 TYR 5 -4.407 5.183 12.305 38 HE2 TYR 5 HE2 TYR 5 -7.511 6.799 9.869 39 HH TYR 5 HH TYR 5 -6.589 5.944 13.043 40 H GLU 6 HN GLU 6 -3.157 3.556 8.711 41 HA GLU 6 HA GLU 6 -0.420 3.300 9.470 42 HB2 GLU 6 HB2 GLU 6 -2.782 1.458 9.822 43 HB3 GLU 6 HB1 GLU 6 -1.195 1.166 10.519 44 HG2 GLU 6 HG2 GLU 6 -2.818 3.625 11.061 45 HG3 GLU 6 HG1 GLU 6 -2.878 2.173 12.064 46 H ILE 7 HN ILE 7 -2.589 1.532 7.288 47 HA ILE 7 HA ILE 7 -0.665 -0.459 6.647 48 HB ILE 7 HB ILE 7 -2.234 -1.236 4.947 49 HG12 ILE 7 HG12 ILE 7 -4.565 0.047 5.105 50 HG13 ILE 7 HG11 ILE 7 -3.511 1.419 5.415 51 HG21 ILE 7 HG21 ILE 7 -3.980 -1.904 6.406 52 HG22 ILE 7 HG22 ILE 7 -3.759 -0.481 7.423 53 HG23 ILE 7 HG23 ILE 7 -2.523 -1.743 7.388 54 HD11 ILE 7 HD11 ILE 7 -2.365 0.999 3.294 55 HD12 ILE 7 HD12 ILE 7 -4.093 1.282 3.077 56 HD13 ILE 7 HD13 ILE 7 -3.451 -0.358 2.991 57 H LEU 8 HN LEU 8 -1.477 2.648 5.257 58 HA LEU 8 HA LEU 8 0.274 2.068 2.986 59 HB2 LEU 8 HB2 LEU 8 -1.900 3.006 2.438 60 HB3 LEU 8 HB1 LEU 8 -1.593 4.386 3.475 61 HG LEU 8 HG LEU 8 0.266 5.064 1.987 62 HD11 LEU 8 HD11 LEU 8 0.469 4.016 -0.219 63 HD12 LEU 8 HD12 LEU 8 -0.702 2.787 0.262 64 HD13 LEU 8 HD13 LEU 8 0.856 2.890 1.082 65 HD21 LEU 8 HD21 LEU 8 -2.398 4.689 0.627 66 HD22 LEU 8 HD22 LEU 8 -1.141 5.826 0.138 67 HD23 LEU 8 HD23 LEU 8 -1.948 6.019 1.694 68 H ASP 9 HN ASP 9 -0.253 5.208 4.515 69 HA ASP 9 HA ASP 9 2.207 5.563 5.745 70 HB2 ASP 9 HB2 ASP 9 3.092 5.120 3.435 71 HB3 ASP 9 HB1 ASP 9 2.255 6.570 2.892 72 H VAL 10 HN VAL 10 -0.385 6.923 3.866 73 HA VAL 10 HA VAL 10 -0.095 9.467 5.327 74 HB VAL 10 HB VAL 10 -1.089 10.614 3.381 75 HG11 VAL 10 HG11 VAL 10 1.314 10.589 3.629 76 HG12 VAL 10 HG12 VAL 10 0.887 10.485 1.921 77 HG13 VAL 10 HG13 VAL 10 1.412 9.042 2.788 78 HG21 VAL 10 HG21 VAL 10 -2.314 8.733 2.417 79 HG22 VAL 10 HG22 VAL 10 -0.792 7.953 1.989 80 HG23 VAL 10 HG23 VAL 10 -1.247 9.475 1.223 81 HA PRO 11 HA PRO 11 -4.381 8.915 6.401 82 HB2 PRO 11 HB2 PRO 11 -4.875 11.309 7.458 83 HB3 PRO 11 HB1 PRO 11 -3.673 10.233 8.177 84 HG2 PRO 11 HG2 PRO 11 -3.283 12.673 6.530 85 HG3 PRO 11 HG1 PRO 11 -2.287 12.031 7.846 86 HD2 PRO 11 HD2 PRO 11 -1.850 11.719 5.062 87 HD3 PRO 11 HD1 PRO 11 -0.975 10.912 6.378 88 H ARG 12 HN ARG 12 -6.500 10.191 6.302 89 HA ARG 12 HA ARG 12 -7.319 9.984 3.657 90 HB2 ARG 12 HB2 ARG 12 -9.489 10.877 4.445 91 HB3 ARG 12 HB1 ARG 12 -8.877 9.550 5.420 92 HG2 ARG 12 HG2 ARG 12 -8.321 12.361 6.246 93 HG3 ARG 12 HG1 ARG 12 -9.917 11.671 6.536 94 HD2 ARG 12 HD2 ARG 12 -9.002 9.928 7.880 95 HD3 ARG 12 HD1 ARG 12 -7.356 10.348 7.407 96 HE ARG 12 HE ARG 12 -7.473 12.262 8.791 97 HH11 ARG 12 HH11 ARG 12 -10.345 10.261 8.986 98 HH12 ARG 12 HH12 ARG 12 -10.808 10.865 10.553 99 HH21 ARG 12 HH21 ARG 12 -8.086 13.070 10.832 100 HH22 ARG 12 HH22 ARG 12 -9.539 12.479 11.587 101 H SER 13 HN SER 13 -6.182 12.766 5.320 102 HA SER 13 HA SER 13 -7.425 14.821 3.905 103 HB2 SER 13 HB2 SER 13 -5.881 14.929 5.972 104 HB3 SER 13 HB1 SER 13 -4.557 14.971 4.811 105 HG SER 13 HG SER 13 -5.084 16.957 4.247 106 H ALA 14 HN ALA 14 -4.964 12.612 2.920 107 HA ALA 14 HA ALA 14 -3.925 14.198 0.764 108 HB1 ALA 14 HB1 ALA 14 -3.600 11.309 1.533 109 HB2 ALA 14 HB2 ALA 14 -2.452 12.627 1.769 110 HB3 ALA 14 HB3 ALA 14 -2.801 12.043 0.145 111 H SER 15 HN SER 15 -4.368 14.078 -1.371 112 HA SER 15 HA SER 15 -6.797 12.807 -2.265 113 HB2 SER 15 HB2 SER 15 -6.134 14.970 -3.195 114 HB3 SER 15 HB1 SER 15 -4.615 14.287 -3.767 115 HG SER 15 HG SER 15 -5.624 13.696 -5.501 116 H ALA 16 HN ALA 16 -6.732 11.387 -4.252 117 HA ALA 16 HA ALA 16 -5.496 8.985 -3.661 118 HB1 ALA 16 HB1 ALA 16 -6.117 8.244 -5.881 119 HB2 ALA 16 HB2 ALA 16 -6.346 9.913 -6.390 120 HB3 ALA 16 HB3 ALA 16 -7.411 9.214 -5.175 121 H ASP 17 HN ASP 17 -4.321 11.631 -5.620 122 HA ASP 17 HA ASP 17 -2.121 10.387 -6.836 123 HB2 ASP 17 HB2 ASP 17 -2.114 13.244 -5.938 124 HB3 ASP 17 HB1 ASP 17 -1.372 12.550 -7.371 125 H ASP 18 HN ASP 18 -2.450 12.062 -3.743 126 HA ASP 18 HA ASP 18 0.301 11.907 -3.037 127 HB2 ASP 18 HB2 ASP 18 -1.462 13.491 -2.062 128 HB3 ASP 18 HB1 ASP 18 -1.981 12.124 -1.076 129 H ILE 19 HN ILE 19 -2.541 9.934 -2.383 130 HA ILE 19 HA ILE 19 -1.369 7.971 -0.772 131 HB ILE 19 HB ILE 19 -3.667 7.973 -2.679 132 HG12 ILE 19 HG12 ILE 19 -4.758 7.094 -0.499 133 HG13 ILE 19 HG11 ILE 19 -3.273 7.646 0.268 134 HG21 ILE 19 HG21 ILE 19 -2.614 5.793 -3.060 135 HG22 ILE 19 HG22 ILE 19 -4.177 5.644 -2.260 136 HG23 ILE 19 HG23 ILE 19 -2.691 5.463 -1.329 137 HD11 ILE 19 HD11 ILE 19 -5.408 9.222 -1.076 138 HD12 ILE 19 HD12 ILE 19 -3.768 9.848 -0.987 139 HD13 ILE 19 HD13 ILE 19 -4.645 9.467 0.498 140 H LYS 20 HN LYS 20 -1.527 8.261 -4.295 141 HA LYS 20 HA LYS 20 -0.137 5.879 -4.879 142 HB2 LYS 20 HB2 LYS 20 -1.519 7.231 -6.489 143 HB3 LYS 20 HB1 LYS 20 -0.205 8.397 -6.549 144 HG2 LYS 20 HG2 LYS 20 1.280 6.725 -7.475 145 HG3 LYS 20 HG1 LYS 20 0.017 5.499 -7.343 146 HD2 LYS 20 HD2 LYS 20 -0.148 8.002 -9.027 147 HD3 LYS 20 HD1 LYS 20 0.226 6.389 -9.634 148 HE2 LYS 20 HE2 LYS 20 -2.326 7.155 -8.218 149 HE3 LYS 20 HE1 LYS 20 -2.143 7.036 -9.968 150 HZ1 LYS 20 HZ1 LYS 20 -3.116 5.046 -8.787 151 HZ2 LYS 20 HZ2 LYS 20 -1.568 4.758 -8.170 152 HZ3 LYS 20 HZ3 LYS 20 -1.830 4.731 -9.837 153 H LYS 21 HN LYS 21 0.944 9.212 -4.295 154 HA LYS 21 HA LYS 21 3.698 8.626 -4.761 155 HB2 LYS 21 HB2 LYS 21 2.970 10.915 -4.894 156 HB3 LYS 21 HB1 LYS 21 2.401 10.883 -3.231 157 HG2 LYS 21 HG2 LYS 21 4.582 12.067 -3.609 158 HG3 LYS 21 HG1 LYS 21 4.606 10.808 -2.373 159 HD2 LYS 21 HD2 LYS 21 6.589 10.527 -3.641 160 HD3 LYS 21 HD1 LYS 21 5.493 9.247 -4.156 161 HE2 LYS 21 HE2 LYS 21 6.322 10.005 -6.163 162 HE3 LYS 21 HE1 LYS 21 4.827 10.932 -6.019 163 HZ1 LYS 21 HZ1 LYS 21 7.527 11.918 -5.266 164 HZ2 LYS 21 HZ2 LYS 21 6.088 12.811 -5.203 165 HZ3 LYS 21 HZ3 LYS 21 6.713 12.309 -6.701 166 H ALA 22 HN ALA 22 1.657 8.481 -1.870 167 HA ALA 22 HA ALA 22 3.675 8.081 0.029 168 HB1 ALA 22 HB1 ALA 22 1.955 7.016 1.393 169 HB2 ALA 22 HB2 ALA 22 0.902 6.901 -0.017 170 HB3 ALA 22 HB3 ALA 22 1.345 8.483 0.626 171 H TYR 23 HN TYR 23 1.953 5.759 -1.997 172 HA TYR 23 HA TYR 23 3.346 3.459 -1.157 173 HB2 TYR 23 HB2 TYR 23 1.580 2.735 -2.347 174 HB3 TYR 23 HB1 TYR 23 1.493 4.216 -3.292 175 HD1 TYR 23 HD2 TYR 23 3.017 0.854 -3.103 176 HD2 TYR 23 HD1 TYR 23 2.438 4.336 -5.481 177 HE1 TYR 23 HE2 TYR 23 3.816 -0.368 -5.084 178 HE2 TYR 23 HE1 TYR 23 3.228 3.123 -7.464 179 HH TYR 23 HH TYR 23 3.522 -0.218 -7.587 180 H ARG 24 HN ARG 24 3.995 5.853 -3.658 181 HA ARG 24 HA ARG 24 6.164 4.543 -4.880 182 HB2 ARG 24 HB2 ARG 24 4.817 7.144 -4.943 183 HB3 ARG 24 HB1 ARG 24 6.511 7.225 -5.355 184 HG2 ARG 24 HG2 ARG 24 6.156 5.532 -7.094 185 HG3 ARG 24 HG1 ARG 24 4.442 5.493 -6.672 186 HD2 ARG 24 HD2 ARG 24 5.939 7.929 -7.561 187 HD3 ARG 24 HD1 ARG 24 4.932 6.936 -8.619 188 HE ARG 24 HE ARG 24 3.700 8.075 -6.232 189 HH11 ARG 24 HH11 ARG 24 4.047 8.070 -9.705 190 HH12 ARG 24 HH12 ARG 24 2.713 9.153 -9.980 191 HH21 ARG 24 HH21 ARG 24 1.931 9.490 -6.575 192 HH22 ARG 24 HH22 ARG 24 1.490 9.941 -8.193 193 H ARG 25 HN ARG 25 6.022 7.109 -2.414 194 HA ARG 25 HA ARG 25 8.811 7.367 -2.111 195 HB2 ARG 25 HB2 ARG 25 8.375 8.622 -0.117 196 HB3 ARG 25 HB1 ARG 25 7.124 9.027 -1.279 197 HG2 ARG 25 HG2 ARG 25 5.561 7.554 -0.134 198 HG3 ARG 25 HG1 ARG 25 6.818 7.104 1.018 199 HD2 ARG 25 HD2 ARG 25 5.640 9.854 0.623 200 HD3 ARG 25 HD1 ARG 25 5.346 8.774 1.983 201 HE ARG 25 HE ARG 25 7.937 10.065 1.387 202 HH11 ARG 25 HH11 ARG 25 5.622 8.727 3.662 203 HH12 ARG 25 HH12 ARG 25 6.577 9.142 5.057 204 HH21 ARG 25 HH21 ARG 25 9.174 10.623 3.240 205 HH22 ARG 25 HH22 ARG 25 8.572 10.218 4.824 206 H LYS 26 HN LYS 26 6.474 5.185 -0.681 207 HA LYS 26 HA LYS 26 8.255 4.072 1.243 208 HB2 LYS 26 HB2 LYS 26 5.845 3.879 1.497 209 HB3 LYS 26 HB1 LYS 26 5.735 2.959 0.002 210 HG2 LYS 26 HG2 LYS 26 6.778 1.084 0.955 211 HG3 LYS 26 HG1 LYS 26 7.352 2.009 2.346 212 HD2 LYS 26 HD2 LYS 26 4.436 1.942 1.874 213 HD3 LYS 26 HD1 LYS 26 5.187 0.448 2.440 214 HE2 LYS 26 HE2 LYS 26 4.340 1.870 4.284 215 HE3 LYS 26 HE1 LYS 26 6.070 1.564 4.382 216 HZ1 LYS 26 HZ1 LYS 26 6.429 3.770 3.366 217 HZ2 LYS 26 HZ2 LYS 26 5.658 3.849 4.867 218 HZ3 LYS 26 HZ3 LYS 26 4.762 4.059 3.449 219 H ALA 27 HN ALA 27 7.292 3.195 -2.035 220 HA ALA 27 HA ALA 27 8.850 0.934 -2.419 221 HB1 ALA 27 HB1 ALA 27 8.553 3.089 -4.497 222 HB2 ALA 27 HB2 ALA 27 7.232 2.021 -4.040 223 HB3 ALA 27 HB3 ALA 27 8.705 1.348 -4.740 224 H LEU 28 HN LEU 28 9.780 4.330 -2.499 225 HA LEU 28 HA LEU 28 12.490 3.923 -3.223 226 HB2 LEU 28 HB2 LEU 28 10.887 6.150 -2.148 227 HB3 LEU 28 HB1 LEU 28 12.609 6.227 -1.826 228 HG LEU 28 HG LEU 28 12.999 6.004 -4.295 229 HD11 LEU 28 HD11 LEU 28 10.095 6.667 -4.616 230 HD12 LEU 28 HD12 LEU 28 10.674 5.005 -4.639 231 HD13 LEU 28 HD13 LEU 28 11.262 6.157 -5.841 232 HD21 LEU 28 HD21 LEU 28 13.068 8.169 -3.174 233 HD22 LEU 28 HD22 LEU 28 11.328 8.350 -3.403 234 HD23 LEU 28 HD23 LEU 28 12.404 8.313 -4.800 235 H GLN 29 HN GLN 29 10.828 3.951 -0.116 236 HA GLN 29 HA GLN 29 13.102 3.954 1.547 237 HB2 GLN 29 HB2 GLN 29 10.427 2.626 2.035 238 HB3 GLN 29 HB1 GLN 29 11.632 2.977 3.264 239 HG2 GLN 29 HG2 GLN 29 11.351 5.361 2.877 240 HG3 GLN 29 HG1 GLN 29 10.167 5.023 1.612 241 HE21 GLN 29 HE21 GLN 29 10.792 5.034 5.030 242 HE22 GLN 29 HE22 GLN 29 9.141 4.858 5.534 243 H TRP 30 HN TRP 30 11.462 1.422 -0.215 244 HA TRP 30 HA TRP 30 13.312 -0.577 0.885 245 HB2 TRP 30 HB2 TRP 30 10.774 -1.070 -0.686 246 HB3 TRP 30 HB1 TRP 30 11.725 -2.261 0.195 247 HD1 TRP 30 HD1 TRP 30 8.629 -0.498 0.557 248 HE1 TRP 30 HE1 TRP 30 7.915 -0.260 3.018 249 HE3 TRP 30 HE3 TRP 30 13.084 -1.621 2.815 250 HZ2 TRP 30 HZ2 TRP 30 9.080 -0.504 5.567 251 HZ3 TRP 30 HZ3 TRP 30 13.196 -1.588 5.272 252 HH2 TRP 30 HH2 TRP 30 11.234 -1.040 6.618 253 H HIS 31 HN HIS 31 13.696 1.467 -1.319 254 HA HIS 31 HA HIS 31 13.856 0.050 -3.793 255 HB2 HIS 31 HB2 HIS 31 13.980 2.703 -3.008 256 HB3 HIS 31 HB1 HIS 31 15.636 2.363 -3.488 257 HD1 HIS 31 HD1 HIS 31 16.121 2.683 -5.898 258 HD2 HIS 31 HD2 HIS 31 12.074 2.005 -5.180 259 HE1 HIS 31 HE1 HIS 31 14.974 2.948 -8.124 260 HE2 HIS 31 HE2 HIS 31 12.510 2.775 -7.613 261 HA PRO 32 HA PRO 32 17.592 -2.247 -3.443 262 HB2 PRO 32 HB2 PRO 32 18.867 -1.508 -5.809 263 HB3 PRO 32 HB1 PRO 32 17.678 -2.803 -5.642 264 HG2 PRO 32 HG2 PRO 32 17.300 0.015 -6.560 265 HG3 PRO 32 HG1 PRO 32 16.566 -1.476 -7.176 266 HD2 PRO 32 HD2 PRO 32 15.176 0.173 -5.616 267 HD3 PRO 32 HD1 PRO 32 15.033 -1.591 -5.418 268 H ASP 33 HN ASP 33 17.878 1.134 -4.318 269 HA ASP 33 HA ASP 33 20.590 1.557 -3.753 270 HB2 ASP 33 HB2 ASP 33 18.408 3.551 -3.141 271 HB3 ASP 33 HB1 ASP 33 20.055 3.873 -3.669 272 H LYS 34 HN LYS 34 17.776 1.331 -1.687 273 HA LYS 34 HA LYS 34 19.421 1.901 0.672 274 HB2 LYS 34 HB2 LYS 34 16.423 1.978 0.353 275 HB3 LYS 34 HB1 LYS 34 17.281 2.285 1.849 276 HG2 LYS 34 HG2 LYS 34 16.762 4.402 1.032 277 HG3 LYS 34 HG1 LYS 34 18.451 4.175 0.579 278 HD2 LYS 34 HD2 LYS 34 17.737 3.474 -1.661 279 HD3 LYS 34 HD1 LYS 34 16.055 3.761 -1.210 280 HE2 LYS 34 HE2 LYS 34 18.264 5.804 -1.411 281 HE3 LYS 34 HE1 LYS 34 16.867 5.642 -2.475 282 HZ1 LYS 34 HZ1 LYS 34 16.273 7.348 -1.053 283 HZ2 LYS 34 HZ2 LYS 34 16.977 6.619 0.304 284 HZ3 LYS 34 HZ3 LYS 34 15.529 6.006 -0.327 285 H ASN 35 HN ASN 35 19.021 -0.602 -0.978 286 HA ASN 35 HA ASN 35 18.053 -2.402 1.145 287 HB2 ASN 35 HB2 ASN 35 16.600 -2.491 -0.819 288 HB3 ASN 35 HB1 ASN 35 17.995 -2.742 -1.868 289 HD21 ASN 35 HD21 ASN 35 15.877 -4.155 0.473 290 HD22 ASN 35 HD22 ASN 35 16.356 -5.799 0.223 291 HA PRO 36 HA PRO 36 22.227 -3.975 0.993 292 HB2 PRO 36 HB2 PRO 36 22.045 -5.777 2.936 293 HB3 PRO 36 HB1 PRO 36 21.857 -4.055 3.295 294 HG2 PRO 36 HG2 PRO 36 19.754 -6.150 2.929 295 HG3 PRO 36 HG1 PRO 36 19.868 -4.894 4.178 296 HD2 PRO 36 HD2 PRO 36 18.324 -4.689 1.900 297 HD3 PRO 36 HD1 PRO 36 18.938 -3.300 2.822 298 H ASP 37 HN ASP 37 21.710 -7.017 2.064 299 HA ASP 37 HA ASP 37 21.959 -8.081 -0.661 300 HB2 ASP 37 HB2 ASP 37 22.543 -9.414 1.978 301 HB3 ASP 37 HB1 ASP 37 22.831 -10.121 0.396 302 H ASN 38 HN ASN 38 19.652 -7.751 1.724 303 HA ASN 38 HA ASN 38 18.205 -10.157 0.853 304 HB2 ASN 38 HB2 ASN 38 17.725 -8.370 3.252 305 HB3 ASN 38 HB1 ASN 38 16.762 -9.782 2.835 306 HD21 ASN 38 HD21 ASN 38 17.626 -11.841 3.149 307 HD22 ASN 38 HD22 ASN 38 19.047 -12.109 4.105 308 H LYS 39 HN LYS 39 17.116 -9.639 -0.939 309 HA LYS 39 HA LYS 39 15.909 -6.977 -1.133 310 HB2 LYS 39 HB2 LYS 39 16.279 -9.096 -3.252 311 HB3 LYS 39 HB1 LYS 39 15.790 -7.427 -3.514 312 HG2 LYS 39 HG2 LYS 39 17.917 -6.602 -2.919 313 HG3 LYS 39 HG1 LYS 39 18.413 -8.162 -2.262 314 HD2 LYS 39 HD2 LYS 39 18.378 -9.134 -4.474 315 HD3 LYS 39 HD1 LYS 39 17.801 -7.612 -5.162 316 HE2 LYS 39 HE2 LYS 39 20.452 -8.089 -3.801 317 HE3 LYS 39 HE1 LYS 39 20.188 -7.834 -5.527 318 HZ1 LYS 39 HZ1 LYS 39 19.717 -5.859 -3.357 319 HZ2 LYS 39 HZ2 LYS 39 19.321 -5.608 -4.985 320 HZ3 LYS 39 HZ3 LYS 39 20.941 -5.803 -4.526 321 H GLU 40 HN GLU 40 15.101 -10.256 -0.646 322 HA GLU 40 HA GLU 40 12.624 -10.470 -1.898 323 HB2 GLU 40 HB2 GLU 40 14.089 -12.253 -0.743 324 HB3 GLU 40 HB1 GLU 40 13.254 -11.792 0.730 325 HG2 GLU 40 HG2 GLU 40 11.761 -12.640 -1.727 326 HG3 GLU 40 HG1 GLU 40 12.382 -13.806 -0.563 327 H PHE 41 HN PHE 41 13.415 -9.291 1.373 328 HA PHE 41 HA PHE 41 10.714 -8.896 2.136 329 HB2 PHE 41 HB2 PHE 41 11.490 -8.011 4.117 330 HB3 PHE 41 HB1 PHE 41 12.865 -8.985 3.630 331 HD1 PHE 41 HD1 PHE 41 14.899 -7.884 2.743 332 HD2 PHE 41 HD2 PHE 41 11.627 -5.655 4.300 333 HE1 PHE 41 HE1 PHE 41 16.349 -5.909 2.966 334 HE2 PHE 41 HE2 PHE 41 13.070 -3.679 4.516 335 HZ PHE 41 HZ PHE 41 15.435 -3.804 3.848 336 H ALA 42 HN ALA 42 13.069 -6.860 0.501 337 HA ALA 42 HA ALA 42 11.617 -4.442 0.576 338 HB1 ALA 42 HB1 ALA 42 13.619 -5.460 -1.443 339 HB2 ALA 42 HB2 ALA 42 13.939 -4.395 -0.069 340 HB3 ALA 42 HB3 ALA 42 12.972 -3.821 -1.426 341 H GLU 43 HN GLU 43 11.583 -7.179 -1.671 342 HA GLU 43 HA GLU 43 9.655 -6.086 -3.459 343 HB2 GLU 43 HB2 GLU 43 10.047 -9.023 -2.906 344 HB3 GLU 43 HB1 GLU 43 9.501 -8.264 -4.396 345 HG2 GLU 43 HG2 GLU 43 11.716 -7.288 -4.704 346 HG3 GLU 43 HG1 GLU 43 12.243 -8.069 -3.209 347 H LYS 44 HN LYS 44 9.494 -8.203 -0.659 348 HA LYS 44 HA LYS 44 6.784 -8.778 -0.639 349 HB2 LYS 44 HB2 LYS 44 8.417 -9.889 0.809 350 HB3 LYS 44 HB1 LYS 44 8.666 -8.394 1.701 351 HG2 LYS 44 HG2 LYS 44 7.206 -10.040 2.851 352 HG3 LYS 44 HG1 LYS 44 6.447 -8.468 2.580 353 HD2 LYS 44 HD2 LYS 44 5.387 -9.392 0.543 354 HD3 LYS 44 HD1 LYS 44 6.053 -10.973 0.953 355 HE2 LYS 44 HE2 LYS 44 4.787 -11.079 2.973 356 HE3 LYS 44 HE1 LYS 44 4.262 -9.405 2.798 357 HZ1 LYS 44 HZ1 LYS 44 3.560 -11.580 0.897 358 HZ2 LYS 44 HZ2 LYS 44 2.957 -9.993 0.905 359 HZ3 LYS 44 HZ3 LYS 44 2.565 -11.056 2.162 360 H LYS 45 HN LYS 45 8.504 -6.061 0.875 361 HA LYS 45 HA LYS 45 6.194 -4.867 1.992 362 HB2 LYS 45 HB2 LYS 45 8.943 -3.834 1.348 363 HB3 LYS 45 HB1 LYS 45 7.691 -2.777 1.993 364 HG2 LYS 45 HG2 LYS 45 8.862 -5.222 3.297 365 HG3 LYS 45 HG1 LYS 45 9.036 -3.542 3.809 366 HD2 LYS 45 HD2 LYS 45 6.552 -3.473 4.093 367 HD3 LYS 45 HD1 LYS 45 6.539 -5.204 3.792 368 HE2 LYS 45 HE2 LYS 45 8.010 -5.536 5.721 369 HE3 LYS 45 HE1 LYS 45 7.969 -3.803 6.041 370 HZ1 LYS 45 HZ1 LYS 45 5.632 -5.632 6.048 371 HZ2 LYS 45 HZ2 LYS 45 5.569 -3.961 6.336 372 HZ3 LYS 45 HZ3 LYS 45 6.378 -4.980 7.424 373 H PHE 46 HN PHE 46 7.793 -4.597 -1.097 374 HA PHE 46 HA PHE 46 6.367 -2.358 -2.075 375 HB2 PHE 46 HB2 PHE 46 8.481 -3.185 -3.061 376 HB3 PHE 46 HB1 PHE 46 7.639 -4.627 -3.623 377 HD1 PHE 46 HD1 PHE 46 7.742 -0.940 -3.947 378 HD2 PHE 46 HD2 PHE 46 6.517 -4.632 -5.673 379 HE1 PHE 46 HE1 PHE 46 7.165 0.233 -6.031 380 HE2 PHE 46 HE2 PHE 46 5.936 -3.466 -7.760 381 HZ PHE 46 HZ PHE 46 6.261 -1.030 -7.941 382 H LYS 47 HN LYS 47 5.773 -5.840 -2.217 383 HA LYS 47 HA LYS 47 3.544 -5.728 -3.952 384 HB2 LYS 47 HB2 LYS 47 4.330 -7.799 -1.895 385 HB3 LYS 47 HB1 LYS 47 3.059 -8.017 -3.089 386 HG2 LYS 47 HG2 LYS 47 4.620 -7.921 -4.883 387 HG3 LYS 47 HG1 LYS 47 5.919 -7.428 -3.797 388 HD2 LYS 47 HD2 LYS 47 5.725 -9.601 -2.636 389 HD3 LYS 47 HD1 LYS 47 4.494 -10.086 -3.805 390 HE2 LYS 47 HE2 LYS 47 6.092 -9.875 -5.617 391 HE3 LYS 47 HE1 LYS 47 7.320 -9.293 -4.497 392 HZ1 LYS 47 HZ1 LYS 47 7.313 -11.416 -3.396 393 HZ2 LYS 47 HZ2 LYS 47 7.588 -11.647 -5.052 394 HZ3 LYS 47 HZ3 LYS 47 6.065 -11.982 -4.395 395 H GLU 48 HN GLU 48 3.814 -5.743 -0.420 396 HA GLU 48 HA GLU 48 1.048 -5.909 0.103 397 HB2 GLU 48 HB2 GLU 48 3.170 -4.670 1.858 398 HB3 GLU 48 HB1 GLU 48 1.589 -5.238 2.372 399 HG2 GLU 48 HG2 GLU 48 3.877 -6.906 1.363 400 HG3 GLU 48 HG1 GLU 48 3.247 -6.838 3.006 401 H VAL 49 HN VAL 49 3.218 -3.115 -0.246 402 HA VAL 49 HA VAL 49 1.187 -1.231 0.422 403 HB VAL 49 HB VAL 49 3.516 -0.596 0.683 404 HG11 VAL 49 HG11 VAL 49 3.742 -0.585 -2.317 405 HG12 VAL 49 HG12 VAL 49 4.379 -1.861 -1.281 406 HG13 VAL 49 HG13 VAL 49 5.009 -0.218 -1.144 407 HG21 VAL 49 HG21 VAL 49 3.417 1.611 -0.221 408 HG22 VAL 49 HG22 VAL 49 1.783 1.129 0.230 409 HG23 VAL 49 HG23 VAL 49 2.274 1.104 -1.461 410 H ALA 50 HN ALA 50 2.350 -2.631 -2.594 411 HA ALA 50 HA ALA 50 1.051 -0.928 -4.392 412 HB1 ALA 50 HB1 ALA 50 1.516 -3.881 -4.774 413 HB2 ALA 50 HB2 ALA 50 2.751 -2.643 -4.982 414 HB3 ALA 50 HB3 ALA 50 1.334 -2.656 -6.031 415 H GLU 51 HN GLU 51 -0.126 -3.921 -2.850 416 HA GLU 51 HA GLU 51 -2.634 -3.834 -4.202 417 HB2 GLU 51 HB2 GLU 51 -3.339 -5.606 -2.712 418 HB3 GLU 51 HB1 GLU 51 -1.707 -5.928 -3.276 419 HG2 GLU 51 HG2 GLU 51 -0.773 -5.280 -1.191 420 HG3 GLU 51 HG1 GLU 51 -2.316 -4.655 -0.624 421 H ALA 52 HN ALA 52 -1.464 -2.751 -1.085 422 HA ALA 52 HA ALA 52 -3.989 -2.157 0.031 423 HB1 ALA 52 HB1 ALA 52 -1.860 -2.612 1.273 424 HB2 ALA 52 HB2 ALA 52 -2.777 -1.216 1.845 425 HB3 ALA 52 HB3 ALA 52 -1.342 -0.979 0.848 426 H TYR 53 HN TYR 53 -1.556 -0.170 -1.624 427 HA TYR 53 HA TYR 53 -2.978 2.262 -1.185 428 HB2 TYR 53 HB2 TYR 53 -1.121 3.233 -2.002 429 HB3 TYR 53 HB1 TYR 53 -0.429 1.618 -2.080 430 HD1 TYR 53 HD1 TYR 53 -0.251 0.446 -4.223 431 HD2 TYR 53 HD2 TYR 53 -1.867 4.376 -4.001 432 HE1 TYR 53 HE1 TYR 53 -0.032 0.671 -6.660 433 HE2 TYR 53 HE2 TYR 53 -1.651 4.607 -6.436 434 HH TYR 53 HH TYR 53 -1.183 2.027 -8.476 435 H GLU 54 HN GLU 54 -2.891 -0.141 -3.757 436 HA GLU 54 HA GLU 54 -4.268 1.453 -5.666 437 HB2 GLU 54 HB2 GLU 54 -2.810 -0.703 -5.973 438 HB3 GLU 54 HB1 GLU 54 -4.335 -1.543 -5.724 439 HG2 GLU 54 HG2 GLU 54 -3.993 -1.310 -8.066 440 HG3 GLU 54 HG1 GLU 54 -5.298 -0.220 -7.596 441 H VAL 55 HN VAL 55 -5.305 -1.061 -3.381 442 HA VAL 55 HA VAL 55 -8.018 -1.028 -4.214 443 HB VAL 55 HB VAL 55 -7.022 -2.931 -2.964 444 HG11 VAL 55 HG11 VAL 55 -7.192 -1.093 -0.586 445 HG12 VAL 55 HG12 VAL 55 -5.718 -1.733 -1.311 446 HG13 VAL 55 HG13 VAL 55 -6.857 -2.822 -0.518 447 HG21 VAL 55 HG21 VAL 55 -9.471 -1.682 -1.731 448 HG22 VAL 55 HG22 VAL 55 -8.984 -3.364 -1.523 449 HG23 VAL 55 HG23 VAL 55 -9.420 -2.764 -3.124 450 H LEU 56 HN LEU 56 -6.216 0.767 -1.765 451 HA LEU 56 HA LEU 56 -8.509 2.005 -0.595 452 HB2 LEU 56 HB2 LEU 56 -6.152 1.696 0.383 453 HB3 LEU 56 HB1 LEU 56 -5.720 3.114 -0.550 454 HG LEU 56 HG LEU 56 -6.230 3.532 1.853 455 HD11 LEU 56 HD11 LEU 56 -7.992 4.957 -0.122 456 HD12 LEU 56 HD12 LEU 56 -6.322 5.360 0.279 457 HD13 LEU 56 HD13 LEU 56 -7.586 5.535 1.496 458 HD21 LEU 56 HD21 LEU 56 -8.697 3.695 2.401 459 HD22 LEU 56 HD22 LEU 56 -7.978 2.090 2.370 460 HD23 LEU 56 HD23 LEU 56 -8.960 2.642 1.008 461 H SER 57 HN SER 57 -6.596 2.602 -3.406 462 HA SER 57 HA SER 57 -7.149 5.409 -3.563 463 HB2 SER 57 HB2 SER 57 -5.106 4.376 -4.539 464 HB3 SER 57 HB1 SER 57 -6.119 3.528 -5.705 465 HG SER 57 HG SER 57 -6.879 5.860 -6.133 466 H ASP 58 HN ASP 58 -8.763 2.521 -4.465 467 HA ASP 58 HA ASP 58 -10.702 4.126 -5.994 468 HB2 ASP 58 HB2 ASP 58 -9.697 2.250 -7.280 469 HB3 ASP 58 HB1 ASP 58 -10.350 1.126 -6.091 470 H LYS 59 HN LYS 59 -12.542 4.502 -5.060 471 HA LYS 59 HA LYS 59 -13.022 3.743 -2.402 472 HB2 LYS 59 HB2 LYS 59 -15.220 4.877 -2.773 473 HB3 LYS 59 HB1 LYS 59 -13.813 5.868 -3.091 474 HG2 LYS 59 HG2 LYS 59 -15.466 4.484 -5.202 475 HG3 LYS 59 HG1 LYS 59 -15.706 6.151 -4.688 476 HD2 LYS 59 HD2 LYS 59 -13.226 5.011 -5.981 477 HD3 LYS 59 HD1 LYS 59 -14.416 6.057 -6.751 478 HE2 LYS 59 HE2 LYS 59 -12.763 6.843 -4.353 479 HE3 LYS 59 HE1 LYS 59 -12.315 7.205 -6.017 480 HZ1 LYS 59 HZ1 LYS 59 -14.771 8.151 -4.630 481 HZ2 LYS 59 HZ2 LYS 59 -14.360 8.486 -6.245 482 HZ3 LYS 59 HZ3 LYS 59 -13.396 9.078 -4.984 483 H HIS 60 HN HIS 60 -14.335 2.666 -5.443 484 HA HIS 60 HA HIS 60 -16.419 1.097 -4.361 485 HB2 HIS 60 HB2 HIS 60 -16.328 1.908 -6.720 486 HB3 HIS 60 HB1 HIS 60 -15.062 0.727 -7.036 487 HD1 HIS 60 HD1 HIS 60 -18.412 0.343 -5.249 488 HD2 HIS 60 HD2 HIS 60 -16.259 -1.256 -8.432 489 HE1 HIS 60 HE1 HIS 60 -19.830 -1.522 -6.167 490 HE2 HIS 60 HE2 HIS 60 -18.612 -2.306 -8.225 491 H LYS 61 HN LYS 61 -13.077 0.300 -5.320 492 HA LYS 61 HA LYS 61 -13.248 -2.453 -4.852 493 HB2 LYS 61 HB2 LYS 61 -10.840 -0.719 -4.337 494 HB3 LYS 61 HB1 LYS 61 -10.840 -2.450 -4.630 495 HG2 LYS 61 HG2 LYS 61 -11.532 -0.271 -6.573 496 HG3 LYS 61 HG1 LYS 61 -10.135 -1.346 -6.612 497 HD2 LYS 61 HD2 LYS 61 -11.537 -3.242 -7.058 498 HD3 LYS 61 HD1 LYS 61 -12.995 -2.266 -6.843 499 HE2 LYS 61 HE2 LYS 61 -10.900 -1.707 -8.916 500 HE3 LYS 61 HE1 LYS 61 -12.331 -2.688 -9.230 501 HZ1 LYS 61 HZ1 LYS 61 -12.480 0.103 -8.218 502 HZ2 LYS 61 HZ2 LYS 61 -13.723 -0.829 -8.895 503 HZ3 LYS 61 HZ3 LYS 61 -12.462 -0.273 -9.871 504 H ARG 62 HN ARG 62 -12.771 0.214 -2.592 505 HA ARG 62 HA ARG 62 -11.943 -1.360 -0.408 506 HB2 ARG 62 HB2 ARG 62 -13.171 1.364 -0.605 507 HB3 ARG 62 HB1 ARG 62 -12.915 0.613 0.963 508 HG2 ARG 62 HG2 ARG 62 -10.869 1.428 -1.073 509 HG3 ARG 62 HG1 ARG 62 -11.047 1.972 0.596 510 HD2 ARG 62 HD2 ARG 62 -10.058 -0.681 -0.412 511 HD3 ARG 62 HD1 ARG 62 -9.212 0.488 0.596 512 HE ARG 62 HE ARG 62 -11.530 -0.450 1.934 513 HH11 ARG 62 HH11 ARG 62 -8.292 -1.381 1.032 514 HH12 ARG 62 HH12 ARG 62 -8.141 -2.612 2.247 515 HH21 ARG 62 HH21 ARG 62 -11.395 -2.106 3.533 516 HH22 ARG 62 HH22 ARG 62 -9.923 -3.019 3.678 517 H GLU 63 HN GLU 63 -15.191 -0.228 -1.350 518 HA GLU 63 HA GLU 63 -16.472 -1.354 0.904 519 HB2 GLU 63 HB2 GLU 63 -18.557 -0.981 -0.264 520 HB3 GLU 63 HB1 GLU 63 -17.499 0.401 -0.505 521 HG2 GLU 63 HG2 GLU 63 -16.923 -0.435 -2.727 522 HG3 GLU 63 HG1 GLU 63 -17.998 -1.811 -2.485 523 H ILE 64 HN ILE 64 -15.734 -2.581 -2.306 524 HA ILE 64 HA ILE 64 -17.153 -5.026 -2.073 525 HB ILE 64 HB ILE 64 -14.800 -4.280 -3.829 526 HG12 ILE 64 HG12 ILE 64 -16.811 -2.951 -4.261 527 HG13 ILE 64 HG11 ILE 64 -16.506 -4.057 -5.595 528 HG21 ILE 64 HG21 ILE 64 -16.606 -6.693 -3.978 529 HG22 ILE 64 HG22 ILE 64 -14.887 -6.688 -3.582 530 HG23 ILE 64 HG23 ILE 64 -15.420 -6.229 -5.198 531 HD11 ILE 64 HD11 ILE 64 -18.868 -3.950 -5.068 532 HD12 ILE 64 HD12 ILE 64 -18.535 -4.439 -3.407 533 HD13 ILE 64 HD13 ILE 64 -18.229 -5.558 -4.733 534 H TYR 65 HN TYR 65 -13.812 -4.081 -1.439 535 HA TYR 65 HA TYR 65 -12.753 -6.626 -0.974 536 HB2 TYR 65 HB2 TYR 65 -11.496 -4.490 -1.352 537 HB3 TYR 65 HB1 TYR 65 -11.846 -4.053 0.315 538 HD1 TYR 65 HD2 TYR 65 -10.045 -6.434 -1.849 539 HD2 TYR 65 HD1 TYR 65 -10.579 -4.989 2.117 540 HE1 TYR 65 HE2 TYR 65 -8.020 -7.639 -1.146 541 HE2 TYR 65 HE1 TYR 65 -8.554 -6.187 2.830 542 HH TYR 65 HH TYR 65 -7.180 -8.063 2.146 543 H ASP 66 HN ASP 66 -14.222 -4.293 1.259 544 HA ASP 66 HA ASP 66 -13.664 -5.883 3.556 545 HB2 ASP 66 HB2 ASP 66 -15.240 -3.400 3.060 546 HB3 ASP 66 HB1 ASP 66 -15.495 -4.281 4.565 547 H ARG 67 HN ARG 67 -16.565 -5.487 1.521 548 HA ARG 67 HA ARG 67 -18.229 -7.007 3.277 549 HB2 ARG 67 HB2 ARG 67 -19.903 -6.860 1.573 550 HB3 ARG 67 HB1 ARG 67 -19.058 -5.319 1.624 551 HG2 ARG 67 HG2 ARG 67 -17.613 -6.427 -0.274 552 HG3 ARG 67 HG1 ARG 67 -19.057 -7.420 -0.480 553 HD2 ARG 67 HD2 ARG 67 -19.024 -4.415 -0.456 554 HD3 ARG 67 HD1 ARG 67 -18.999 -5.394 -1.919 555 HE ARG 67 HE ARG 67 -21.218 -6.057 -0.243 556 HH11 ARG 67 HH11 ARG 67 -20.060 -3.666 -2.527 557 HH12 ARG 67 HH12 ARG 67 -21.640 -3.246 -3.104 558 HH21 ARG 67 HH21 ARG 67 -23.317 -5.495 -0.991 559 HH22 ARG 67 HH22 ARG 67 -23.496 -4.279 -2.226 560 H TYR 68 HN TYR 68 -16.111 -7.816 0.641 561 HA TYR 68 HA TYR 68 -17.190 -10.546 0.522 562 HB2 TYR 68 HB2 TYR 68 -17.192 -9.958 -1.661 563 HB3 TYR 68 HB1 TYR 68 -16.064 -8.642 -1.406 564 HD1 TYR 68 HD1 TYR 68 -16.394 -12.191 -2.283 565 HD2 TYR 68 HD2 TYR 68 -13.702 -8.941 -1.751 566 HE1 TYR 68 HE1 TYR 68 -14.653 -13.442 -3.488 567 HE2 TYR 68 HE2 TYR 68 -11.954 -10.182 -2.949 568 HH TYR 68 HH TYR 68 -11.373 -12.468 -3.526 569 H GLY 69 HN GLY 69 -14.773 -8.842 1.955 570 HA2 GLY 69 HA2 GLY 69 -12.477 -10.430 1.629 571 HA3 GLY 69 HA1 GLY 69 -12.810 -9.353 2.976 572 H ARG 70 HN ARG 70 -14.918 -10.446 4.158 573 HA ARG 70 HA ARG 70 -13.723 -12.326 5.822 574 HB2 ARG 70 HB2 ARG 70 -16.649 -11.684 5.486 575 HB3 ARG 70 HB1 ARG 70 -15.991 -12.652 6.797 576 HG2 ARG 70 HG2 ARG 70 -15.451 -9.748 6.229 577 HG3 ARG 70 HG1 ARG 70 -16.346 -10.428 7.592 578 HD2 ARG 70 HD2 ARG 70 -13.398 -10.691 7.014 579 HD3 ARG 70 HD1 ARG 70 -14.149 -9.822 8.351 580 HE ARG 70 HE ARG 70 -15.013 -12.392 8.664 581 HH11 ARG 70 HH11 ARG 70 -11.874 -10.870 8.375 582 HH12 ARG 70 HH12 ARG 70 -11.056 -12.079 9.323 583 HH21 ARG 70 HH21 ARG 70 -13.952 -13.995 9.893 584 HH22 ARG 70 HH22 ARG 70 -12.236 -13.874 10.166 585 H GLU 71 HN GLU 71 -16.129 -12.894 3.244 586 HA GLU 71 HA GLU 71 -16.108 -15.731 3.754 587 HB2 GLU 71 HB2 GLU 71 -17.357 -14.122 1.521 588 HB3 GLU 71 HB1 GLU 71 -17.523 -15.862 1.688 589 HG2 GLU 71 HG2 GLU 71 -19.490 -15.000 2.574 590 HG3 GLU 71 HG1 GLU 71 -18.508 -15.380 3.986
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