NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634245 | 6do7 | 30478 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS -7 HN HIS -7 12.377 -24.422 -12.729 2 HA HIS -7 HA HIS -7 11.553 -26.072 -14.038 3 HB2 HIS -7 HB2 HIS -7 14.556 -26.649 -14.487 4 HB3 HIS -7 HB3 HIS -7 13.602 -28.088 -14.341 5 HD1 HIS -7 HD1 HIS -7 13.071 -24.853 -16.389 6 HD2 HIS -7 HD2 HIS -7 12.918 -29.053 -16.815 7 HE1 HIS -7 HE1 HIS -7 12.390 -25.392 -18.759 8 H HIS -6 HN HIS -6 10.600 -27.879 -13.308 9 HA HIS -6 HA HIS -6 9.766 -29.282 -11.857 10 HB2 HIS -6 HB2 HIS -6 12.029 -30.346 -12.401 11 HB3 HIS -6 HB3 HIS -6 12.608 -29.800 -10.855 12 HD1 HIS -6 HD1 HIS -6 10.998 -30.729 -8.720 13 HD2 HIS -6 HD2 HIS -6 10.854 -32.882 -12.342 14 HE1 HIS -6 HE1 HIS -6 10.073 -33.040 -8.240 15 H HIS -5 HN HIS -5 8.910 -27.160 -11.006 16 HA HIS -5 HA HIS -5 9.047 -27.018 -8.113 17 HB2 HIS -5 HB2 HIS -5 10.664 -25.203 -9.823 18 HB3 HIS -5 HB3 HIS -5 9.478 -24.288 -8.965 19 HD1 HIS -5 HD1 HIS -5 11.720 -27.203 -7.820 20 HD2 HIS -5 HD2 HIS -5 10.743 -23.251 -6.721 21 HE1 HIS -5 HE1 HIS -5 13.003 -26.617 -5.710 22 H HIS -4 HN HIS -4 7.614 -25.140 -7.385 23 HA HIS -4 HA HIS -4 5.657 -24.127 -7.221 24 HB2 HIS -4 HB2 HIS -4 5.650 -24.036 -10.285 25 HB3 HIS -4 HB3 HIS -4 4.606 -23.116 -9.266 26 HD1 HIS -4 HD1 HIS -4 7.330 -22.550 -7.262 27 HD2 HIS -4 HD2 HIS -4 6.653 -21.494 -11.288 28 HE1 HIS -4 HE1 HIS -4 8.863 -20.628 -7.850 29 H HIS -3 HN HIS -3 4.904 -26.065 -6.239 30 HA HIS -3 HA HIS -3 3.403 -28.047 -7.717 31 HB2 HIS -3 HB2 HIS -3 3.721 -27.597 -4.712 32 HB3 HIS -3 HB3 HIS -3 3.089 -29.035 -5.471 33 HD1 HIS -3 HD1 HIS -3 5.229 -29.685 -3.669 34 HD2 HIS -3 HD2 HIS -3 6.200 -28.394 -7.566 35 HE1 HIS -3 HE1 HIS -3 7.586 -30.433 -4.197 36 H HIS -2 HN HIS -2 1.959 -26.440 -8.717 37 HA HIS -2 HA HIS -2 0.052 -25.433 -9.103 38 HB2 HIS -2 HB2 HIS -2 -1.026 -26.793 -6.586 39 HB3 HIS -2 HB3 HIS -2 -2.001 -25.927 -7.734 40 HD1 HIS -2 HD1 HIS -2 -3.009 -28.564 -7.445 41 HD2 HIS -2 HD2 HIS -2 0.194 -27.881 -10.102 42 HE1 HIS -2 HE1 HIS -2 -2.962 -30.442 -9.141 43 H VAL -1 HN VAL -1 2.147 -24.170 -7.273 44 HA VAL -1 HA VAL -1 0.575 -21.743 -6.703 45 HB VAL -1 HB VAL -1 1.870 -21.390 -4.594 46 HG11 VAL -1 HG11 VAL -1 -0.024 -23.762 -4.449 47 HG12 VAL -1 HG12 VAL -1 0.385 -22.657 -3.145 48 HG13 VAL -1 HG13 VAL -1 -0.505 -22.069 -4.541 49 HG21 VAL -1 HG21 VAL -1 2.634 -24.340 -4.772 50 HG22 VAL -1 HG22 VAL -1 3.737 -22.968 -4.706 51 HG23 VAL -1 HG23 VAL -1 2.749 -23.359 -3.322 52 H ALA 0 HN ALA 0 1.470 -20.063 -7.613 53 HA ALA 0 HA ALA 0 4.385 -19.824 -8.007 54 HB1 ALA 0 HB1 ALA 0 4.017 -19.251 -10.415 55 HB2 ALA 0 HB2 ALA 0 3.494 -20.894 -10.094 56 HB3 ALA 0 HB3 ALA 0 2.299 -19.610 -10.256 57 H MET 1 HN MET 1 4.876 -17.621 -8.880 58 HA MET 1 HA MET 1 5.037 -15.456 -8.639 59 HB2 MET 1 HB2 MET 1 2.037 -15.338 -8.018 60 HB3 MET 1 HB3 MET 1 3.061 -13.962 -8.225 61 HG2 MET 1 HG2 MET 1 2.810 -16.050 -10.428 62 HG3 MET 1 HG3 MET 1 1.690 -14.737 -10.270 63 HE1 MET 1 HE1 MET 1 1.897 -12.767 -11.776 64 HE2 MET 1 HE2 MET 1 2.481 -12.120 -10.233 65 HE3 MET 1 HE3 MET 1 3.319 -11.732 -11.742 66 H SER 2 HN SER 2 5.603 -13.911 -7.079 67 HA SER 2 HA SER 2 5.180 -14.591 -4.248 68 HB2 SER 2 HB2 SER 2 7.584 -14.939 -3.853 69 HB3 SER 2 HB3 SER 2 6.958 -16.149 -4.944 70 HG SER 2 HG SER 2 8.408 -13.818 -5.664 71 H PHE 3 HN PHE 3 4.688 -12.792 -3.308 72 HA PHE 3 HA PHE 3 5.368 -10.160 -4.198 73 HB2 PHE 3 HB2 PHE 3 4.160 -11.241 -1.635 74 HB3 PHE 3 HB3 PHE 3 4.392 -9.552 -1.923 75 HD1 PHE 3 HD1 PHE 3 3.083 -8.348 -3.688 76 HD2 PHE 3 HD2 PHE 3 2.390 -12.515 -2.795 77 HE1 PHE 3 HE1 PHE 3 0.884 -8.244 -4.799 78 HE2 PHE 3 HE2 PHE 3 0.202 -12.370 -3.913 79 HZ PHE 3 HZ PHE 3 -0.567 -10.231 -4.858 80 H SER 4 HN SER 4 7.295 -12.423 -2.461 81 HA SER 4 HA SER 4 8.873 -10.596 -0.938 82 HB2 SER 4 HB2 SER 4 10.372 -12.544 -0.702 83 HB3 SER 4 HB3 SER 4 8.711 -12.966 -0.368 84 HG SER 4 HG SER 4 10.104 -13.428 -2.797 85 H GLY 5 HN GLY 5 10.135 -9.015 -1.743 86 HA2 GLY 5 HA2 GLY 5 12.340 -9.353 -3.403 87 HA3 GLY 5 HA1 GLY 5 11.025 -8.900 -4.489 88 H LYS 6 HN LYS 6 13.041 -7.140 -4.403 89 HA LYS 6 HA LYS 6 11.930 -4.824 -2.883 90 HB2 LYS 6 HB2 LYS 6 14.386 -5.670 -2.324 91 HB3 LYS 6 HB3 LYS 6 14.803 -4.951 -3.851 92 HG2 LYS 6 HG2 LYS 6 13.252 -2.948 -2.569 93 HG3 LYS 6 HG3 LYS 6 14.020 -3.729 -1.241 94 HD2 LYS 6 HD2 LYS 6 15.357 -2.349 -3.596 95 HD3 LYS 6 HD3 LYS 6 15.248 -1.757 -1.976 96 HE2 LYS 6 HE2 LYS 6 16.831 -4.256 -2.758 97 HE3 LYS 6 HE3 LYS 6 17.514 -2.662 -2.507 98 HZ1 LYS 6 HZ1 LYS 6 16.050 -4.180 -0.466 99 HZ2 LYS 6 HZ2 LYS 6 16.746 -2.709 -0.260 100 HZ3 LYS 6 HZ3 LYS 6 17.691 -4.026 -0.563 101 H TYR 7 HN TYR 7 11.678 -2.944 -3.992 102 HA TYR 7 HA TYR 7 11.732 -2.993 -6.949 103 HB2 TYR 7 HB2 TYR 7 9.358 -2.057 -5.275 104 HB3 TYR 7 HB3 TYR 7 9.394 -2.349 -6.991 105 HD1 TYR 7 HD1 TYR 7 8.975 -3.801 -3.659 106 HD2 TYR 7 HD2 TYR 7 9.402 -4.724 -7.848 107 HE1 TYR 7 HE1 TYR 7 8.254 -6.120 -3.225 108 HE2 TYR 7 HE2 TYR 7 8.656 -7.055 -7.411 109 HH TYR 7 HH TYR 7 7.989 -8.584 -5.820 110 H GLN 8 HN GLN 8 10.942 -0.780 -7.753 111 HA GLN 8 HA GLN 8 12.295 1.460 -6.354 112 HB2 GLN 8 HB2 GLN 8 14.049 0.131 -7.401 113 HB3 GLN 8 HB3 GLN 8 13.111 -0.054 -8.855 114 HG2 GLN 8 HG2 GLN 8 13.430 2.403 -9.360 115 HG3 GLN 8 HG3 GLN 8 14.387 2.550 -7.903 116 HE21 GLN 8 HE21 GLN 8 14.393 -0.222 -10.267 117 HE22 GLN 8 HE22 GLN 8 16.043 0.024 -10.779 118 H LEU 9 HN LEU 9 11.011 3.223 -6.639 119 HA LEU 9 HA LEU 9 8.675 3.213 -8.161 120 HB2 LEU 9 HB2 LEU 9 9.119 4.613 -6.140 121 HB3 LEU 9 HB3 LEU 9 10.259 5.562 -7.051 122 HG LEU 9 HG LEU 9 8.436 6.353 -8.553 123 HD11 LEU 9 HD11 LEU 9 6.587 5.102 -8.724 124 HD12 LEU 9 HD12 LEU 9 6.031 5.868 -7.256 125 HD13 LEU 9 HD13 LEU 9 6.823 4.299 -7.182 126 HD21 LEU 9 HD21 LEU 9 7.215 7.261 -6.069 127 HD22 LEU 9 HD22 LEU 9 8.255 8.119 -7.195 128 HD23 LEU 9 HD23 LEU 9 8.943 7.179 -5.886 129 H GLN 10 HN GLN 10 8.215 3.500 -10.220 130 HA GLN 10 HA GLN 10 10.258 4.578 -12.097 131 HB2 GLN 10 HB2 GLN 10 7.710 2.942 -12.585 132 HB3 GLN 10 HB3 GLN 10 8.822 3.465 -13.812 133 HG2 GLN 10 HG2 GLN 10 9.424 1.468 -11.581 134 HG3 GLN 10 HG3 GLN 10 9.174 1.104 -13.264 135 HE21 GLN 10 HE21 GLN 10 11.536 1.733 -10.902 136 HE22 GLN 10 HE22 GLN 10 12.889 2.021 -11.970 137 H SER 11 HN SER 11 6.750 4.806 -11.268 138 HA SER 11 HA SER 11 6.591 7.609 -12.000 139 HB2 SER 11 HB2 SER 11 5.662 5.390 -13.884 140 HB3 SER 11 HB3 SER 11 4.657 6.812 -13.742 141 HG SER 11 HG SER 11 7.404 6.856 -14.372 142 H GLN 12 HN GLN 12 4.444 8.502 -11.646 143 HA GLN 12 HA GLN 12 2.408 6.933 -10.431 144 HB2 GLN 12 HB2 GLN 12 2.445 8.040 -8.188 145 HB3 GLN 12 HB3 GLN 12 3.761 6.946 -8.457 146 HG2 GLN 12 HG2 GLN 12 5.239 8.983 -9.016 147 HG3 GLN 12 HG3 GLN 12 3.902 10.009 -8.547 148 HE21 GLN 12 HE21 GLN 12 6.050 10.560 -7.192 149 HE22 GLN 12 HE22 GLN 12 6.065 9.872 -5.594 150 H GLU 13 HN GLU 13 0.469 7.954 -10.296 151 HA GLU 13 HA GLU 13 0.219 10.663 -11.539 152 HB2 GLU 13 HB2 GLU 13 -1.428 8.139 -12.077 153 HB3 GLU 13 HB3 GLU 13 -1.721 9.702 -12.770 154 HG2 GLU 13 HG2 GLU 13 0.331 9.624 -14.090 155 HG3 GLU 13 HG3 GLU 13 0.902 8.200 -13.255 156 H ASN 14 HN ASN 14 -1.616 11.842 -10.859 157 HA ASN 14 HA ASN 14 -2.904 12.760 -9.388 158 HB2 ASN 14 HB2 ASN 14 -3.933 9.971 -9.430 159 HB3 ASN 14 HB3 ASN 14 -4.302 10.704 -7.915 160 HD21 ASN 14 HD21 ASN 14 -6.000 9.906 -10.276 161 HD22 ASN 14 HD22 ASN 14 -6.987 11.321 -10.560 162 H PHE 15 HN PHE 15 -0.151 11.701 -8.525 163 HA PHE 15 HA PHE 15 -0.112 11.061 -5.825 164 HB2 PHE 15 HB2 PHE 15 1.810 10.735 -7.262 165 HB3 PHE 15 HB3 PHE 15 1.978 12.439 -7.547 166 HD1 PHE 15 HD1 PHE 15 2.948 13.936 -5.795 167 HD2 PHE 15 HD2 PHE 15 2.417 9.725 -5.017 168 HE1 PHE 15 HE1 PHE 15 4.385 14.085 -3.811 169 HE2 PHE 15 HE2 PHE 15 3.875 9.916 -3.062 170 HZ PHE 15 HZ PHE 15 4.879 12.084 -2.466 171 H GLU 16 HN GLU 16 0.366 14.387 -7.194 172 HA GLU 16 HA GLU 16 0.491 15.649 -4.685 173 HB2 GLU 16 HB2 GLU 16 -0.415 16.851 -7.331 174 HB3 GLU 16 HB3 GLU 16 0.065 17.740 -5.911 175 HG2 GLU 16 HG2 GLU 16 2.369 16.557 -6.102 176 HG3 GLU 16 HG3 GLU 16 1.852 15.979 -7.663 177 H ALA 17 HN ALA 17 -2.364 15.208 -6.861 178 HA ALA 17 HA ALA 17 -4.263 16.591 -5.353 179 HB1 ALA 17 HB1 ALA 17 -5.911 15.197 -6.634 180 HB2 ALA 17 HB2 ALA 17 -4.636 15.820 -7.672 181 HB3 ALA 17 HB3 ALA 17 -4.602 14.138 -7.150 182 H PHE 18 HN PHE 18 -3.266 13.157 -5.082 183 HA PHE 18 HA PHE 18 -5.067 12.469 -2.970 184 HB2 PHE 18 HB2 PHE 18 -4.196 10.813 -4.493 185 HB3 PHE 18 HB3 PHE 18 -2.544 11.176 -4.082 186 HD1 PHE 18 HD1 PHE 18 -5.680 9.560 -2.917 187 HD2 PHE 18 HD2 PHE 18 -1.543 10.346 -1.967 188 HE1 PHE 18 HE1 PHE 18 -5.762 7.914 -1.084 189 HE2 PHE 18 HE2 PHE 18 -1.676 8.721 -0.122 190 HZ PHE 18 HZ PHE 18 -3.777 7.510 0.314 191 H MET 19 HN MET 19 -1.597 13.458 -2.969 192 HA MET 19 HA MET 19 -1.188 13.110 -0.193 193 HB2 MET 19 HB2 MET 19 0.321 14.829 -2.176 194 HB3 MET 19 HB3 MET 19 0.818 14.458 -0.535 195 HG2 MET 19 HG2 MET 19 0.257 12.045 -2.202 196 HG3 MET 19 HG3 MET 19 1.584 13.035 -2.727 197 HE1 MET 19 HE1 MET 19 1.750 9.844 0.335 198 HE2 MET 19 HE2 MET 19 0.222 10.551 -0.193 199 HE3 MET 19 HE3 MET 19 1.327 9.848 -1.384 200 H LYS 20 HN LYS 20 -2.140 16.046 -2.074 201 HA LYS 20 HA LYS 20 -2.275 17.836 0.137 202 HB2 LYS 20 HB2 LYS 20 -3.552 17.814 -2.648 203 HB3 LYS 20 HB3 LYS 20 -4.076 18.933 -1.447 204 HG2 LYS 20 HG2 LYS 20 -2.615 20.322 -2.321 205 HG3 LYS 20 HG3 LYS 20 -1.539 19.597 -1.172 206 HD2 LYS 20 HD2 LYS 20 -0.606 18.123 -2.945 207 HD3 LYS 20 HD3 LYS 20 -1.753 18.741 -4.099 208 HE2 LYS 20 HE2 LYS 20 0.335 20.513 -2.721 209 HE3 LYS 20 HE3 LYS 20 0.599 19.709 -4.258 210 HZ1 LYS 20 HZ1 LYS 20 -1.245 20.889 -5.165 211 HZ2 LYS 20 HZ2 LYS 20 -0.124 21.929 -4.550 212 HZ3 LYS 20 HZ3 LYS 20 -1.524 21.649 -3.726 213 H ALA 21 HN ALA 21 -4.659 15.518 -1.227 214 HA ALA 21 HA ALA 21 -6.846 16.385 0.388 215 HB1 ALA 21 HB1 ALA 21 -6.405 13.822 -1.213 216 HB2 ALA 21 HB2 ALA 21 -7.936 14.304 -0.490 217 HB3 ALA 21 HB3 ALA 21 -7.216 15.293 -1.750 218 H ILE 22 HN ILE 22 -4.295 13.933 0.993 219 HA ILE 22 HA ILE 22 -5.642 13.078 3.475 220 HB ILE 22 HB ILE 22 -3.809 11.582 3.831 221 HG12 ILE 22 HG12 ILE 22 -2.534 12.177 1.183 222 HG13 ILE 22 HG13 ILE 22 -2.013 13.063 2.585 223 HG21 ILE 22 HG21 ILE 22 -4.882 11.271 1.001 224 HG22 ILE 22 HG22 ILE 22 -4.258 9.989 2.026 225 HG23 ILE 22 HG23 ILE 22 -5.725 10.834 2.480 226 HD11 ILE 22 HD11 ILE 22 -2.074 10.025 2.723 227 HD12 ILE 22 HD12 ILE 22 -0.734 10.867 1.967 228 HD13 ILE 22 HD13 ILE 22 -1.116 11.165 3.661 229 H GLY 23 HN GLY 23 -3.968 15.816 2.686 230 HA2 GLY 23 HA2 GLY 23 -3.680 17.541 4.141 231 HA3 GLY 23 HA1 GLY 23 -3.813 16.468 5.514 232 H LEU 24 HN LEU 24 -1.371 15.773 2.975 233 HA LEU 24 HA LEU 24 0.803 16.250 4.850 234 HB2 LEU 24 HB2 LEU 24 0.620 15.272 1.972 235 HB3 LEU 24 HB3 LEU 24 2.159 15.579 2.699 236 HG LEU 24 HG LEU 24 0.114 13.715 3.969 237 HD11 LEU 24 HD11 LEU 24 1.375 11.828 3.036 238 HD12 LEU 24 HD12 LEU 24 2.437 12.938 2.171 239 HD13 LEU 24 HD13 LEU 24 0.721 12.846 1.760 240 HD21 LEU 24 HD21 LEU 24 1.568 13.966 5.733 241 HD22 LEU 24 HD22 LEU 24 2.844 14.626 4.742 242 HD23 LEU 24 HD23 LEU 24 2.632 12.896 4.817 243 HA PRO 25 HA PRO 25 1.623 20.446 3.475 244 HB2 PRO 25 HB2 PRO 25 4.235 20.763 4.244 245 HB3 PRO 25 HB3 PRO 25 2.935 20.556 5.409 246 HG2 PRO 25 HG2 PRO 25 4.772 18.415 4.316 247 HG3 PRO 25 HG3 PRO 25 4.469 18.768 6.015 248 HD2 PRO 25 HD2 PRO 25 3.110 16.805 4.712 249 HD3 PRO 25 HD3 PRO 25 2.256 17.819 5.888 250 H GLU 26 HN GLU 26 2.518 21.597 1.754 251 HA GLU 26 HA GLU 26 3.003 20.256 -0.617 252 HB2 GLU 26 HB2 GLU 26 2.042 22.480 -0.419 253 HB3 GLU 26 HB3 GLU 26 3.543 23.133 0.175 254 HG2 GLU 26 HG2 GLU 26 4.636 22.768 -2.025 255 HG3 GLU 26 HG3 GLU 26 3.237 21.891 -2.608 256 H GLU 27 HN GLU 27 5.410 21.254 1.763 257 HA GLU 27 HA GLU 27 7.763 21.008 0.232 258 HB2 GLU 27 HB2 GLU 27 7.688 22.074 2.403 259 HB3 GLU 27 HB3 GLU 27 7.145 20.616 3.182 260 HG2 GLU 27 HG2 GLU 27 9.366 19.526 2.734 261 HG3 GLU 27 HG3 GLU 27 9.886 20.943 1.847 262 H LEU 28 HN LEU 28 6.112 18.517 2.271 263 HA LEU 28 HA LEU 28 7.823 16.363 1.522 264 HB2 LEU 28 HB2 LEU 28 5.045 16.461 2.772 265 HB3 LEU 28 HB3 LEU 28 5.896 14.967 2.513 266 HG LEU 28 HG LEU 28 6.920 17.246 4.239 267 HD11 LEU 28 HD11 LEU 28 4.969 15.250 4.853 268 HD12 LEU 28 HD12 LEU 28 5.711 16.410 5.938 269 HD13 LEU 28 HD13 LEU 28 6.402 14.810 5.742 270 HD21 LEU 28 HD21 LEU 28 8.433 15.027 4.958 271 HD22 LEU 28 HD22 LEU 28 8.949 16.297 3.872 272 HD23 LEU 28 HD23 LEU 28 8.278 14.802 3.228 273 H ILE 29 HN ILE 29 5.098 17.817 -0.103 274 HA ILE 29 HA ILE 29 4.509 15.535 -1.795 275 HB ILE 29 HB ILE 29 3.677 18.455 -1.937 276 HG12 ILE 29 HG12 ILE 29 2.019 16.046 -1.231 277 HG13 ILE 29 HG13 ILE 29 2.857 16.903 0.002 278 HG21 ILE 29 HG21 ILE 29 1.900 17.699 -3.568 279 HG22 ILE 29 HG22 ILE 29 3.508 17.596 -4.240 280 HG23 ILE 29 HG23 ILE 29 2.700 16.139 -3.668 281 HD11 ILE 29 HD11 ILE 29 0.289 17.518 -0.904 282 HD12 ILE 29 HD12 ILE 29 1.284 18.518 0.135 283 HD13 ILE 29 HD13 ILE 29 1.291 18.802 -1.588 284 H GLN 30 HN GLN 30 6.217 18.723 -2.276 285 HA GLN 30 HA GLN 30 6.889 18.166 -4.979 286 HB2 GLN 30 HB2 GLN 30 8.063 20.160 -2.976 287 HB3 GLN 30 HB3 GLN 30 8.514 20.112 -4.654 288 HG2 GLN 30 HG2 GLN 30 5.814 20.913 -3.512 289 HG3 GLN 30 HG3 GLN 30 6.914 21.874 -4.444 290 HE21 GLN 30 HE21 GLN 30 4.103 19.977 -4.545 291 HE22 GLN 30 HE22 GLN 30 4.017 19.692 -6.268 292 H LYS 31 HN LYS 31 8.726 17.478 -1.996 293 HA LYS 31 HA LYS 31 11.003 16.423 -3.481 294 HB2 LYS 31 HB2 LYS 31 11.880 15.841 -1.312 295 HB3 LYS 31 HB3 LYS 31 11.230 17.447 -1.262 296 HG2 LYS 31 HG2 LYS 31 10.263 16.741 0.685 297 HG3 LYS 31 HG3 LYS 31 9.036 16.161 -0.381 298 HD2 LYS 31 HD2 LYS 31 9.274 14.138 0.554 299 HD3 LYS 31 HD3 LYS 31 10.747 13.961 -0.348 300 HE2 LYS 31 HE2 LYS 31 10.544 15.061 2.496 301 HE3 LYS 31 HE3 LYS 31 11.113 13.471 2.037 302 HZ1 LYS 31 HZ1 LYS 31 12.359 16.013 1.242 303 HZ2 LYS 31 HZ2 LYS 31 12.926 14.502 0.888 304 HZ3 LYS 31 HZ3 LYS 31 12.889 15.022 2.449 305 H GLY 32 HN GLY 32 7.903 15.158 -2.330 306 HA2 GLY 32 HA2 GLY 32 8.627 12.360 -2.319 307 HA3 GLY 32 HA1 GLY 32 7.026 13.062 -2.211 308 H LYS 33 HN LYS 33 7.271 14.620 -4.782 309 HA LYS 33 HA LYS 33 6.772 12.438 -6.691 310 HB2 LYS 33 HB2 LYS 33 5.866 14.149 -8.134 311 HB3 LYS 33 HB3 LYS 33 5.104 14.160 -6.595 312 HG2 LYS 33 HG2 LYS 33 5.570 16.310 -6.229 313 HG3 LYS 33 HG3 LYS 33 7.269 16.110 -6.509 314 HD2 LYS 33 HD2 LYS 33 5.165 16.493 -8.684 315 HD3 LYS 33 HD3 LYS 33 6.119 17.776 -7.992 316 HE2 LYS 33 HE2 LYS 33 8.224 16.665 -8.830 317 HE3 LYS 33 HE3 LYS 33 7.256 15.400 -9.570 318 HZ1 LYS 33 HZ1 LYS 33 7.085 18.257 -10.196 319 HZ2 LYS 33 HZ2 LYS 33 6.177 17.072 -10.893 320 HZ3 LYS 33 HZ3 LYS 33 7.812 17.101 -11.120 321 H ASP 34 HN ASP 34 9.255 14.907 -6.052 322 HA ASP 34 HA ASP 34 10.459 14.649 -8.672 323 HB2 ASP 34 HB2 ASP 34 10.538 16.777 -7.330 324 HB3 ASP 34 HB3 ASP 34 11.592 16.032 -6.190 325 H ILE 35 HN ILE 35 11.578 13.774 -5.331 326 HA ILE 35 HA ILE 35 13.713 12.089 -6.308 327 HB ILE 35 HB ILE 35 12.471 12.200 -3.516 328 HG12 ILE 35 HG12 ILE 35 13.175 14.442 -4.007 329 HG13 ILE 35 HG13 ILE 35 14.239 13.738 -2.841 330 HG21 ILE 35 HG21 ILE 35 14.655 11.335 -2.710 331 HG22 ILE 35 HG22 ILE 35 13.821 10.183 -3.728 332 HG23 ILE 35 HG23 ILE 35 15.173 11.101 -4.377 333 HD11 ILE 35 HD11 ILE 35 15.907 13.300 -4.781 334 HD12 ILE 35 HD12 ILE 35 14.824 14.244 -5.803 335 HD13 ILE 35 HD13 ILE 35 15.595 14.990 -4.412 336 H LYS 36 HN LYS 36 13.237 10.221 -7.352 337 HA LYS 36 HA LYS 36 10.867 8.659 -6.859 338 HB2 LYS 36 HB2 LYS 36 13.232 8.495 -8.697 339 HB3 LYS 36 HB3 LYS 36 12.575 6.971 -8.211 340 HG2 LYS 36 HG2 LYS 36 11.475 7.567 -10.240 341 HG3 LYS 36 HG3 LYS 36 10.338 7.507 -8.936 342 HD2 LYS 36 HD2 LYS 36 9.714 9.388 -10.223 343 HD3 LYS 36 HD3 LYS 36 10.436 10.053 -8.788 344 HE2 LYS 36 HE2 LYS 36 12.607 10.390 -10.054 345 HE3 LYS 36 HE3 LYS 36 11.835 9.753 -11.498 346 HZ1 LYS 36 HZ1 LYS 36 10.231 11.547 -11.326 347 HZ2 LYS 36 HZ2 LYS 36 11.778 12.110 -11.463 348 HZ3 LYS 36 HZ3 LYS 36 11.024 12.137 -10.000 349 H GLY 37 HN GLY 37 10.507 7.484 -5.178 350 HA2 GLY 37 HA2 GLY 37 12.488 6.794 -3.194 351 HA3 GLY 37 HA1 GLY 37 10.771 6.428 -3.198 352 H VAL 38 HN VAL 38 12.115 4.510 -2.216 353 HA VAL 38 HA VAL 38 12.358 2.335 -4.256 354 HB VAL 38 HB VAL 38 13.716 2.493 -1.513 355 HG11 VAL 38 HG11 VAL 38 15.101 0.624 -2.257 356 HG12 VAL 38 HG12 VAL 38 13.425 0.143 -2.264 357 HG13 VAL 38 HG13 VAL 38 14.242 0.542 -3.781 358 HG21 VAL 38 HG21 VAL 38 15.872 2.836 -2.743 359 HG22 VAL 38 HG22 VAL 38 14.963 3.082 -4.231 360 HG23 VAL 38 HG23 VAL 38 14.799 4.210 -2.887 361 H SER 39 HN SER 39 11.496 0.218 -3.371 362 HA SER 39 HA SER 39 9.715 0.426 -1.046 363 HB2 SER 39 HB2 SER 39 8.479 1.258 -3.200 364 HB3 SER 39 HB3 SER 39 8.538 -0.390 -3.756 365 HG SER 39 HG SER 39 7.373 -0.995 -1.899 366 H GLU 40 HN GLU 40 9.140 -1.659 -0.211 367 HA GLU 40 HA GLU 40 10.429 -4.010 -1.448 368 HB2 GLU 40 HB2 GLU 40 12.178 -2.823 -0.148 369 HB3 GLU 40 HB3 GLU 40 11.171 -2.797 1.255 370 HG2 GLU 40 HG2 GLU 40 11.256 -5.318 1.377 371 HG3 GLU 40 HG3 GLU 40 12.273 -5.339 -0.047 372 H ILE 41 HN ILE 41 9.453 -5.921 -0.922 373 HA ILE 41 HA ILE 41 7.302 -5.900 1.128 374 HB ILE 41 HB ILE 41 7.019 -6.933 -1.727 375 HG12 ILE 41 HG12 ILE 41 5.385 -4.732 -0.425 376 HG13 ILE 41 HG13 ILE 41 6.701 -4.424 -1.520 377 HG21 ILE 41 HG21 ILE 41 5.850 -8.488 -0.231 378 HG22 ILE 41 HG22 ILE 41 5.096 -7.143 0.608 379 HG23 ILE 41 HG23 ILE 41 4.667 -7.512 -1.063 380 HD11 ILE 41 HD11 ILE 41 5.026 -4.351 -3.078 381 HD12 ILE 41 HD12 ILE 41 5.297 -6.087 -3.145 382 HD13 ILE 41 HD13 ILE 41 3.972 -5.435 -2.179 383 H VAL 42 HN VAL 42 7.181 -7.846 2.226 384 HA VAL 42 HA VAL 42 8.902 -10.101 1.274 385 HB VAL 42 HB VAL 42 8.754 -9.238 4.188 386 HG11 VAL 42 HG11 VAL 42 9.255 -11.659 3.729 387 HG12 VAL 42 HG12 VAL 42 10.648 -11.166 2.786 388 HG13 VAL 42 HG13 VAL 42 10.585 -10.823 4.512 389 HG21 VAL 42 HG21 VAL 42 10.993 -8.583 2.238 390 HG22 VAL 42 HG22 VAL 42 9.985 -7.428 3.107 391 HG23 VAL 42 HG23 VAL 42 11.105 -8.444 3.989 392 H GLN 43 HN GLN 43 7.386 -11.567 0.732 393 HA GLN 43 HA GLN 43 4.991 -12.041 2.346 394 HB2 GLN 43 HB2 GLN 43 5.246 -12.423 -0.208 395 HB3 GLN 43 HB3 GLN 43 6.239 -13.783 0.162 396 HG2 GLN 43 HG2 GLN 43 4.065 -14.683 -0.208 397 HG3 GLN 43 HG3 GLN 43 4.271 -14.779 1.518 398 HE21 GLN 43 HE21 GLN 43 2.424 -14.104 2.651 399 HE22 GLN 43 HE22 GLN 43 1.275 -12.940 2.054 400 H ASN 44 HN ASN 44 4.877 -13.456 4.029 401 HA ASN 44 HA ASN 44 7.158 -15.288 4.655 402 HB2 ASN 44 HB2 ASN 44 5.664 -13.420 6.551 403 HB3 ASN 44 HB3 ASN 44 6.872 -14.582 7.045 404 HD21 ASN 44 HD21 ASN 44 6.440 -11.362 6.686 405 HD22 ASN 44 HD22 ASN 44 8.060 -10.885 6.256 406 H GLY 45 HN GLY 45 5.116 -16.278 3.225 407 HA2 GLY 45 HA2 GLY 45 3.608 -18.012 3.239 408 HA3 GLY 45 HA1 GLY 45 3.798 -18.186 4.978 409 H LYS 46 HN LYS 46 2.026 -17.590 6.177 410 HA LYS 46 HA LYS 46 -0.249 -16.237 5.081 411 HB2 LYS 46 HB2 LYS 46 0.399 -17.824 7.408 412 HB3 LYS 46 HB3 LYS 46 -0.203 -16.340 8.019 413 HG2 LYS 46 HG2 LYS 46 -1.632 -18.284 6.178 414 HG3 LYS 46 HG3 LYS 46 -1.998 -17.914 7.836 415 HD2 LYS 46 HD2 LYS 46 -2.462 -15.448 6.911 416 HD3 LYS 46 HD3 LYS 46 -2.533 -16.236 5.366 417 HE2 LYS 46 HE2 LYS 46 -4.786 -16.262 6.018 418 HE3 LYS 46 HE3 LYS 46 -4.267 -17.882 6.417 419 HZ1 LYS 46 HZ1 LYS 46 -3.949 -17.094 8.704 420 HZ2 LYS 46 HZ2 LYS 46 -5.501 -16.885 8.196 421 HZ3 LYS 46 HZ3 LYS 46 -4.487 -15.598 8.264 422 H HIS 47 HN HIS 47 2.553 -15.184 7.003 423 HA HIS 47 HA HIS 47 1.568 -12.513 7.555 424 HB2 HIS 47 HB2 HIS 47 4.060 -14.089 8.080 425 HB3 HIS 47 HB3 HIS 47 4.295 -12.376 7.875 426 HD1 HIS 47 HD1 HIS 47 2.751 -10.752 9.438 427 HD2 HIS 47 HD2 HIS 47 3.421 -14.701 10.763 428 HE1 HIS 47 HE1 HIS 47 2.412 -10.818 11.940 429 H PHE 48 HN PHE 48 2.404 -10.570 6.738 430 HA PHE 48 HA PHE 48 3.915 -10.549 4.214 431 HB2 PHE 48 HB2 PHE 48 1.484 -10.710 3.590 432 HB3 PHE 48 HB3 PHE 48 1.137 -9.336 4.588 433 HD1 PHE 48 HD1 PHE 48 2.259 -7.023 3.937 434 HD2 PHE 48 HD2 PHE 48 2.157 -10.441 1.314 435 HE1 PHE 48 HE1 PHE 48 2.518 -5.559 1.993 436 HE2 PHE 48 HE2 PHE 48 2.433 -8.940 -0.613 437 HZ PHE 48 HZ PHE 48 2.546 -6.497 -0.281 438 H LYS 49 HN LYS 49 5.396 -8.996 4.366 439 HA LYS 49 HA LYS 49 5.109 -6.766 6.318 440 HB2 LYS 49 HB2 LYS 49 7.258 -8.611 5.626 441 HB3 LYS 49 HB3 LYS 49 7.771 -7.011 5.190 442 HG2 LYS 49 HG2 LYS 49 7.208 -6.242 7.529 443 HG3 LYS 49 HG3 LYS 49 6.756 -7.885 7.917 444 HD2 LYS 49 HD2 LYS 49 9.127 -8.613 7.272 445 HD3 LYS 49 HD3 LYS 49 9.522 -6.935 7.041 446 HE2 LYS 49 HE2 LYS 49 10.303 -7.434 9.234 447 HE3 LYS 49 HE3 LYS 49 8.830 -6.523 9.498 448 HZ1 LYS 49 HZ1 LYS 49 9.134 -9.449 9.595 449 HZ2 LYS 49 HZ2 LYS 49 7.700 -8.677 9.783 450 HZ3 LYS 49 HZ3 LYS 49 8.905 -8.443 10.879 451 H PHE 50 HN PHE 50 5.089 -4.697 5.567 452 HA PHE 50 HA PHE 50 5.540 -4.198 2.659 453 HB2 PHE 50 HB2 PHE 50 3.111 -3.880 4.061 454 HB3 PHE 50 HB3 PHE 50 3.770 -2.283 4.151 455 HD1 PHE 50 HD1 PHE 50 5.173 -2.376 1.265 456 HD2 PHE 50 HD2 PHE 50 1.213 -3.236 2.770 457 HE1 PHE 50 HE1 PHE 50 4.210 -1.888 -0.929 458 HE2 PHE 50 HE2 PHE 50 0.288 -2.726 0.551 459 HZ PHE 50 HZ PHE 50 1.780 -2.083 -1.301 460 H THR 51 HN THR 51 7.043 -2.651 2.261 461 HA THR 51 HA THR 51 7.908 -0.777 4.366 462 HB THR 51 HB THR 51 10.301 -1.516 2.957 463 HG1 THR 51 HG1 THR 51 9.233 -3.513 2.483 464 HG21 THR 51 HG21 THR 51 11.062 -2.324 5.179 465 HG22 THR 51 HG22 THR 51 9.405 -2.261 5.785 466 HG23 THR 51 HG23 THR 51 10.233 -0.781 5.297 467 H ILE 52 HN ILE 52 7.894 1.245 3.523 468 HA ILE 52 HA ILE 52 8.298 1.591 0.571 469 HB ILE 52 HB ILE 52 6.270 3.133 2.263 470 HG12 ILE 52 HG12 ILE 52 4.654 1.943 0.498 471 HG13 ILE 52 HG13 ILE 52 5.873 0.714 0.477 472 HG21 ILE 52 HG21 ILE 52 7.172 4.479 0.401 473 HG22 ILE 52 HG22 ILE 52 6.874 3.163 -0.728 474 HG23 ILE 52 HG23 ILE 52 5.530 4.004 0.030 475 HD11 ILE 52 HD11 ILE 52 3.796 0.610 2.160 476 HD12 ILE 52 HD12 ILE 52 5.359 0.058 2.725 477 HD13 ILE 52 HD13 ILE 52 4.776 1.657 3.174 478 H THR 53 HN THR 53 10.117 2.694 0.314 479 HA THR 53 HA THR 53 11.127 4.543 2.387 480 HB THR 53 HB THR 53 12.371 3.530 -0.195 481 HG1 THR 53 HG1 THR 53 12.157 1.954 1.373 482 HG21 THR 53 HG21 THR 53 13.439 5.682 0.311 483 HG22 THR 53 HG22 THR 53 14.535 4.388 0.745 484 HG23 THR 53 HG23 THR 53 13.635 5.234 2.001 485 H ALA 54 HN ALA 54 10.107 6.452 2.283 486 HA ALA 54 HA ALA 54 9.636 7.911 -0.227 487 HB1 ALA 54 HB1 ALA 54 8.039 8.088 1.704 488 HB2 ALA 54 HB2 ALA 54 9.328 8.733 2.715 489 HB3 ALA 54 HB3 ALA 54 8.756 9.644 1.319 490 H GLY 55 HN GLY 55 10.486 10.280 -0.086 491 HA2 GLY 55 HA2 GLY 55 13.316 10.207 -0.440 492 HA3 GLY 55 HA1 GLY 55 12.253 11.585 -0.599 493 H SER 56 HN SER 56 12.310 9.954 2.559 494 HA SER 56 HA SER 56 14.464 11.462 3.687 495 HB2 SER 56 HB2 SER 56 13.180 12.849 5.270 496 HB3 SER 56 HB3 SER 56 12.836 13.326 3.636 497 HG SER 56 HG SER 56 11.245 11.804 5.416 498 H LYS 57 HN LYS 57 11.721 9.242 4.103 499 HA LYS 57 HA LYS 57 13.185 7.807 6.181 500 HB2 LYS 57 HB2 LYS 57 11.353 7.851 7.771 501 HB3 LYS 57 HB3 LYS 57 11.922 9.464 7.535 502 HG2 LYS 57 HG2 LYS 57 9.987 10.150 6.370 503 HG3 LYS 57 HG3 LYS 57 9.522 8.557 5.882 504 HD2 LYS 57 HD2 LYS 57 9.384 9.553 8.759 505 HD3 LYS 57 HD3 LYS 57 8.053 9.571 7.635 506 HE2 LYS 57 HE2 LYS 57 8.362 7.008 7.403 507 HE3 LYS 57 HE3 LYS 57 9.458 7.089 8.765 508 HZ1 LYS 57 HZ1 LYS 57 6.653 7.954 8.781 509 HZ2 LYS 57 HZ2 LYS 57 7.680 8.024 10.068 510 HZ3 LYS 57 HZ3 LYS 57 7.241 6.567 9.438 511 H VAL 58 HN VAL 58 12.083 5.777 6.775 512 HA VAL 58 HA VAL 58 10.552 4.607 4.498 513 HB VAL 58 HB VAL 58 12.168 3.165 6.653 514 HG11 VAL 58 HG11 VAL 58 11.999 1.190 5.148 515 HG12 VAL 58 HG12 VAL 58 10.410 1.715 5.656 516 HG13 VAL 58 HG13 VAL 58 10.987 2.106 4.042 517 HG21 VAL 58 HG21 VAL 58 13.864 2.698 4.846 518 HG22 VAL 58 HG22 VAL 58 13.057 3.900 3.844 519 HG23 VAL 58 HG23 VAL 58 13.816 4.375 5.354 520 H ILE 59 HN ILE 59 8.590 3.683 4.928 521 HA ILE 59 HA ILE 59 7.539 3.695 7.734 522 HB ILE 59 HB ILE 59 6.002 3.550 5.079 523 HG12 ILE 59 HG12 ILE 59 5.035 5.797 5.923 524 HG13 ILE 59 HG13 ILE 59 6.414 5.901 6.962 525 HG21 ILE 59 HG21 ILE 59 4.806 2.361 6.904 526 HG22 ILE 59 HG22 ILE 59 4.985 3.763 7.953 527 HG23 ILE 59 HG23 ILE 59 3.983 3.850 6.511 528 HD11 ILE 59 HD11 ILE 59 6.392 7.059 4.556 529 HD12 ILE 59 HD12 ILE 59 7.879 6.301 5.089 530 HD13 ILE 59 HD13 ILE 59 6.817 5.463 3.957 531 H GLN 60 HN GLN 60 7.655 1.686 8.635 532 HA GLN 60 HA GLN 60 7.567 -0.747 6.898 533 HB2 GLN 60 HB2 GLN 60 8.491 -0.603 9.799 534 HB3 GLN 60 HB3 GLN 60 8.658 -1.907 8.677 535 HG2 GLN 60 HG2 GLN 60 10.754 -1.182 8.288 536 HG3 GLN 60 HG3 GLN 60 10.055 0.081 7.315 537 HE21 GLN 60 HE21 GLN 60 10.728 2.140 7.878 538 HE22 GLN 60 HE22 GLN 60 11.310 2.600 9.454 539 H ASN 61 HN ASN 61 6.000 -2.242 7.260 540 HA ASN 61 HA ASN 61 4.267 -2.149 9.635 541 HB2 ASN 61 HB2 ASN 61 3.253 -2.062 6.722 542 HB3 ASN 61 HB3 ASN 61 2.246 -2.452 8.091 543 HD21 ASN 61 HD21 ASN 61 3.048 0.059 6.083 544 HD22 ASN 61 HD22 ASN 61 2.602 1.393 7.108 545 H GLU 62 HN GLU 62 3.093 -4.168 9.903 546 HA GLU 62 HA GLU 62 3.530 -6.296 8.001 547 HB2 GLU 62 HB2 GLU 62 5.488 -6.621 9.470 548 HB3 GLU 62 HB3 GLU 62 4.479 -6.611 10.884 549 HG2 GLU 62 HG2 GLU 62 3.400 -8.737 10.232 550 HG3 GLU 62 HG3 GLU 62 4.174 -8.699 8.663 551 H PHE 63 HN PHE 63 1.965 -7.829 8.023 552 HA PHE 63 HA PHE 63 -0.044 -7.933 10.109 553 HB2 PHE 63 HB2 PHE 63 -1.946 -7.582 8.589 554 HB3 PHE 63 HB3 PHE 63 -0.980 -6.142 8.682 555 HD1 PHE 63 HD1 PHE 63 -2.029 -8.980 6.513 556 HD2 PHE 63 HD2 PHE 63 0.277 -5.341 6.702 557 HE1 PHE 63 HE1 PHE 63 -1.842 -8.951 4.061 558 HE2 PHE 63 HE2 PHE 63 0.384 -5.305 4.241 559 HZ PHE 63 HZ PHE 63 -0.673 -7.104 2.928 560 H THR 64 HN THR 64 -1.657 -9.704 9.548 561 HA THR 64 HA THR 64 -0.456 -11.873 7.880 562 HB THR 64 HB THR 64 -2.178 -12.163 10.395 563 HG1 THR 64 HG1 THR 64 -0.260 -13.136 11.208 564 HG21 THR 64 HG21 THR 64 -2.526 -14.080 8.791 565 HG22 THR 64 HG22 THR 64 -1.663 -14.597 10.229 566 HG23 THR 64 HG23 THR 64 -0.783 -14.309 8.733 567 H VAL 65 HN VAL 65 -1.770 -12.581 6.268 568 HA VAL 65 HA VAL 65 -3.986 -11.032 5.469 569 HB VAL 65 HB VAL 65 -3.083 -13.815 4.595 570 HG11 VAL 65 HG11 VAL 65 -5.061 -11.977 3.162 571 HG12 VAL 65 HG12 VAL 65 -4.321 -13.401 2.450 572 HG13 VAL 65 HG13 VAL 65 -5.412 -13.582 3.803 573 HG21 VAL 65 HG21 VAL 65 -2.014 -12.655 2.686 574 HG22 VAL 65 HG22 VAL 65 -2.534 -11.098 3.320 575 HG23 VAL 65 HG23 VAL 65 -1.357 -12.068 4.202 576 H GLY 66 HN GLY 66 -6.146 -11.170 5.838 577 HA2 GLY 66 HA2 GLY 66 -8.186 -11.969 6.504 578 HA3 GLY 66 HA1 GLY 66 -7.520 -13.563 6.780 579 H GLU 67 HN GLU 67 -5.442 -11.655 8.573 580 HA GLU 67 HA GLU 67 -7.096 -11.744 11.052 581 HB2 GLU 67 HB2 GLU 67 -4.097 -11.362 10.851 582 HB3 GLU 67 HB3 GLU 67 -5.018 -11.735 12.260 583 HG2 GLU 67 HG2 GLU 67 -4.503 -13.645 9.933 584 HG3 GLU 67 HG3 GLU 67 -3.777 -13.722 11.516 585 H GLU 68 HN GLU 68 -7.044 -9.921 12.428 586 HA GLU 68 HA GLU 68 -7.193 -7.443 10.872 587 HB2 GLU 68 HB2 GLU 68 -9.088 -8.500 12.116 588 HB3 GLU 68 HB3 GLU 68 -8.266 -8.191 13.617 589 HG2 GLU 68 HG2 GLU 68 -8.449 -5.765 13.321 590 HG3 GLU 68 HG3 GLU 68 -8.974 -5.951 11.661 591 H CYS 69 HN CYS 69 -5.432 -6.315 10.733 592 HA CYS 69 HA CYS 69 -3.719 -5.733 13.106 593 HB2 CYS 69 HB2 CYS 69 -2.857 -6.308 10.229 594 HB3 CYS 69 HB3 CYS 69 -1.765 -5.795 11.504 595 HG CYS 69 HG CYS 69 -2.079 -7.765 13.084 596 H GLU 70 HN GLU 70 -2.038 -3.872 11.771 597 HA GLU 70 HA GLU 70 -3.849 -1.779 10.753 598 HB2 GLU 70 HB2 GLU 70 -3.050 -0.150 12.284 599 HB3 GLU 70 HB3 GLU 70 -3.563 -1.494 13.236 600 HG2 GLU 70 HG2 GLU 70 -0.617 -0.916 12.607 601 HG3 GLU 70 HG3 GLU 70 -1.456 -0.359 14.020 602 H LEU 71 HN LEU 71 -2.872 -0.064 9.673 603 HA LEU 71 HA LEU 71 -0.164 -0.533 8.546 604 HB2 LEU 71 HB2 LEU 71 -2.739 0.164 7.044 605 HB3 LEU 71 HB3 LEU 71 -1.155 0.207 6.327 606 HG LEU 71 HG LEU 71 -2.462 -2.310 7.459 607 HD11 LEU 71 HD11 LEU 71 -2.356 -1.271 4.615 608 HD12 LEU 71 HD12 LEU 71 -3.761 -1.740 5.571 609 HD13 LEU 71 HD13 LEU 71 -2.647 -2.966 4.998 610 HD21 LEU 71 HD21 LEU 71 0.303 -1.789 6.606 611 HD22 LEU 71 HD22 LEU 71 -0.420 -3.059 5.647 612 HD23 LEU 71 HD23 LEU 71 -0.384 -3.197 7.400 613 H GLU 72 HN GLU 72 1.031 1.276 8.331 614 HA GLU 72 HA GLU 72 -0.060 3.843 9.319 615 HB2 GLU 72 HB2 GLU 72 1.978 2.768 10.351 616 HB3 GLU 72 HB3 GLU 72 2.811 2.931 8.850 617 HG2 GLU 72 HG2 GLU 72 2.671 5.393 8.930 618 HG3 GLU 72 HG3 GLU 72 1.663 5.341 10.357 619 H THR 73 HN THR 73 -0.350 5.541 8.007 620 HA THR 73 HA THR 73 0.246 5.451 5.135 621 HB THR 73 HB THR 73 -0.927 7.701 6.864 622 HG1 THR 73 HG1 THR 73 -2.938 6.847 6.171 623 HG21 THR 73 HG21 THR 73 -1.229 7.123 3.858 624 HG22 THR 73 HG22 THR 73 -0.423 8.527 4.548 625 HG23 THR 73 HG23 THR 73 -2.149 8.336 4.738 626 H MET 74 HN MET 74 1.441 7.365 4.101 627 HA MET 74 HA MET 74 3.982 7.845 5.202 628 HB2 MET 74 HB2 MET 74 2.460 9.414 3.078 629 HB3 MET 74 HB3 MET 74 4.149 9.639 3.432 630 HG2 MET 74 HG2 MET 74 4.510 7.159 2.876 631 HG3 MET 74 HG3 MET 74 2.860 7.130 2.287 632 HE1 MET 74 HE1 MET 74 5.344 6.288 0.505 633 HE2 MET 74 HE2 MET 74 3.660 6.268 -0.050 634 HE3 MET 74 HE3 MET 74 4.909 7.053 -1.031 635 H THR 75 HN THR 75 1.009 9.699 5.695 636 HA THR 75 HA THR 75 2.256 11.989 6.927 637 HB THR 75 HB THR 75 0.058 12.135 5.811 638 HG1 THR 75 HG1 THR 75 -1.104 13.129 7.553 639 HG21 THR 75 HG21 THR 75 -1.074 10.389 8.038 640 HG22 THR 75 HG22 THR 75 -0.959 9.951 6.339 641 HG23 THR 75 HG23 THR 75 -2.014 11.257 6.831 642 H GLY 76 HN GLY 76 1.867 8.803 8.060 643 HA2 GLY 76 HA2 GLY 76 2.688 7.990 10.054 644 HA3 GLY 76 HA1 GLY 76 2.625 9.570 10.806 645 H GLU 77 HN GLU 77 -0.355 9.067 9.228 646 HA GLU 77 HA GLU 77 -1.855 8.647 11.622 647 HB2 GLU 77 HB2 GLU 77 -2.651 9.991 9.737 648 HB3 GLU 77 HB3 GLU 77 -2.631 8.607 8.675 649 HG2 GLU 77 HG2 GLU 77 -4.443 7.522 10.048 650 HG3 GLU 77 HG3 GLU 77 -4.438 8.894 11.133 651 H LYS 78 HN LYS 78 -2.677 6.855 12.505 652 HA LYS 78 HA LYS 78 -1.832 4.202 11.472 653 HB2 LYS 78 HB2 LYS 78 -2.845 5.141 14.198 654 HB3 LYS 78 HB3 LYS 78 -2.258 3.544 13.869 655 HG2 LYS 78 HG2 LYS 78 -0.344 5.835 13.313 656 HG3 LYS 78 HG3 LYS 78 -0.790 5.577 14.962 657 HD2 LYS 78 HD2 LYS 78 1.298 4.450 14.401 658 HD3 LYS 78 HD3 LYS 78 0.098 3.316 14.953 659 HE2 LYS 78 HE2 LYS 78 -0.287 2.483 12.682 660 HE3 LYS 78 HE3 LYS 78 0.644 3.798 11.987 661 HZ1 LYS 78 HZ1 LYS 78 1.775 1.764 13.781 662 HZ2 LYS 78 HZ2 LYS 78 2.591 2.961 12.972 663 HZ3 LYS 78 HZ3 LYS 78 1.874 1.745 12.132 664 H VAL 79 HN VAL 79 -3.371 2.820 10.661 665 HA VAL 79 HA VAL 79 -6.201 3.130 11.465 666 HB VAL 79 HB VAL 79 -6.848 2.746 9.045 667 HG11 VAL 79 HG11 VAL 79 -7.177 4.929 10.191 668 HG12 VAL 79 HG12 VAL 79 -5.608 5.466 9.605 669 HG13 VAL 79 HG13 VAL 79 -6.894 5.108 8.465 670 HG21 VAL 79 HG21 VAL 79 -5.363 3.526 7.238 671 HG22 VAL 79 HG22 VAL 79 -4.041 3.743 8.367 672 HG23 VAL 79 HG23 VAL 79 -4.655 2.130 8.024 673 H LYS 80 HN LYS 80 -7.095 1.319 11.997 674 HA LYS 80 HA LYS 80 -5.874 -1.268 11.561 675 HB2 LYS 80 HB2 LYS 80 -8.067 -0.071 13.200 676 HB3 LYS 80 HB3 LYS 80 -8.447 -1.658 12.648 677 HG2 LYS 80 HG2 LYS 80 -6.970 -2.730 13.954 678 HG3 LYS 80 HG3 LYS 80 -5.707 -1.554 13.755 679 HD2 LYS 80 HD2 LYS 80 -6.675 -0.053 15.385 680 HD3 LYS 80 HD3 LYS 80 -8.128 -1.015 15.511 681 HE2 LYS 80 HE2 LYS 80 -6.851 -2.898 16.511 682 HE3 LYS 80 HE3 LYS 80 -5.342 -2.034 16.277 683 HZ1 LYS 80 HZ1 LYS 80 -6.117 -0.341 17.756 684 HZ2 LYS 80 HZ2 LYS 80 -6.136 -1.816 18.492 685 HZ3 LYS 80 HZ3 LYS 80 -7.547 -1.133 17.983 686 H THR 81 HN THR 81 -6.645 -2.973 10.335 687 HA THR 81 HA THR 81 -9.110 -3.062 9.008 688 HB THR 81 HB THR 81 -8.103 -1.287 7.494 689 HG1 THR 81 HG1 THR 81 -8.665 -2.285 5.639 690 HG21 THR 81 HG21 THR 81 -6.328 -1.873 5.896 691 HG22 THR 81 HG22 THR 81 -6.073 -3.430 6.656 692 HG23 THR 81 HG23 THR 81 -5.687 -1.951 7.532 693 H VAL 82 HN VAL 82 -8.866 -4.794 7.079 694 HA VAL 82 HA VAL 82 -6.984 -6.992 7.795 695 HB VAL 82 HB VAL 82 -9.872 -7.276 6.794 696 HG11 VAL 82 HG11 VAL 82 -9.514 -9.744 7.290 697 HG12 VAL 82 HG12 VAL 82 -8.567 -9.158 5.944 698 HG13 VAL 82 HG13 VAL 82 -7.803 -9.402 7.514 699 HG21 VAL 82 HG21 VAL 82 -8.862 -8.004 9.566 700 HG22 VAL 82 HG22 VAL 82 -9.905 -6.630 9.209 701 HG23 VAL 82 HG23 VAL 82 -10.479 -8.262 8.948 702 H VAL 83 HN VAL 83 -6.089 -7.988 5.939 703 HA VAL 83 HA VAL 83 -6.689 -6.743 3.278 704 HB VAL 83 HB VAL 83 -4.144 -8.106 4.254 705 HG11 VAL 83 HG11 VAL 83 -4.303 -8.399 1.831 706 HG12 VAL 83 HG12 VAL 83 -4.702 -6.699 1.602 707 HG13 VAL 83 HG13 VAL 83 -3.102 -7.174 2.156 708 HG21 VAL 83 HG21 VAL 83 -4.248 -5.993 5.418 709 HG22 VAL 83 HG22 VAL 83 -3.113 -5.780 4.103 710 HG23 VAL 83 HG23 VAL 83 -4.730 -5.126 3.971 711 H GLN 84 HN GLN 84 -7.046 -8.069 1.561 712 HA GLN 84 HA GLN 84 -7.102 -11.018 1.915 713 HB2 GLN 84 HB2 GLN 84 -9.205 -9.107 0.780 714 HB3 GLN 84 HB3 GLN 84 -9.155 -10.749 0.231 715 HG2 GLN 84 HG2 GLN 84 -9.534 -9.934 3.153 716 HG3 GLN 84 HG3 GLN 84 -10.805 -10.416 2.059 717 HE21 GLN 84 HE21 GLN 84 -8.759 -11.576 4.451 718 HE22 GLN 84 HE22 GLN 84 -8.856 -13.281 4.084 719 H LEU 85 HN LEU 85 -7.190 -12.164 -0.184 720 HA LEU 85 HA LEU 85 -5.764 -10.823 -2.400 721 HB2 LEU 85 HB2 LEU 85 -4.316 -12.209 -0.648 722 HB3 LEU 85 HB3 LEU 85 -4.953 -13.614 -1.428 723 HG LEU 85 HG LEU 85 -3.448 -11.355 -2.844 724 HD11 LEU 85 HD11 LEU 85 -1.475 -12.162 -2.140 725 HD12 LEU 85 HD12 LEU 85 -1.870 -13.806 -2.602 726 HD13 LEU 85 HD13 LEU 85 -2.318 -13.214 -1.019 727 HD21 LEU 85 HD21 LEU 85 -2.972 -13.311 -4.546 728 HD22 LEU 85 HD22 LEU 85 -4.518 -12.500 -4.617 729 HD23 LEU 85 HD23 LEU 85 -4.374 -14.067 -3.810 730 H GLU 86 HN GLU 86 -6.606 -11.429 -4.368 731 HA GLU 86 HA GLU 86 -8.993 -13.159 -4.347 732 HB2 GLU 86 HB2 GLU 86 -9.560 -12.039 -6.412 733 HB3 GLU 86 HB3 GLU 86 -9.215 -10.890 -5.161 734 HG2 GLU 86 HG2 GLU 86 -6.916 -10.519 -6.146 735 HG3 GLU 86 HG3 GLU 86 -7.293 -11.638 -7.429 736 H GLY 87 HN GLY 87 -6.110 -14.222 -4.391 737 HA2 GLY 87 HA2 GLY 87 -5.130 -16.137 -5.117 738 HA3 GLY 87 HA1 GLY 87 -6.595 -16.537 -5.990 739 H ASP 88 HN ASP 88 -5.352 -13.457 -6.956 740 HA ASP 88 HA ASP 88 -4.151 -14.603 -9.431 741 HB2 ASP 88 HB2 ASP 88 -6.687 -13.958 -9.521 742 HB3 ASP 88 HB3 ASP 88 -6.162 -12.313 -9.275 743 H ASN 89 HN ASN 89 -2.497 -13.818 -7.425 744 HA ASN 89 HA ASN 89 -0.947 -12.516 -6.729 745 HB2 ASN 89 HB2 ASN 89 0.622 -11.538 -8.617 746 HB3 ASN 89 HB3 ASN 89 0.355 -13.229 -8.429 747 HD21 ASN 89 HD21 ASN 89 -0.626 -10.462 -10.489 748 HD22 ASN 89 HD22 ASN 89 -1.073 -11.457 -11.851 749 H LYS 90 HN LYS 90 -3.379 -11.176 -6.489 750 HA LYS 90 HA LYS 90 -2.628 -8.313 -6.531 751 HB2 LYS 90 HB2 LYS 90 -5.191 -9.652 -7.510 752 HB3 LYS 90 HB3 LYS 90 -5.125 -7.952 -7.156 753 HG2 LYS 90 HG2 LYS 90 -3.793 -7.434 -9.007 754 HG3 LYS 90 HG3 LYS 90 -3.107 -9.020 -9.139 755 HD2 LYS 90 HD2 LYS 90 -4.566 -8.906 -10.974 756 HD3 LYS 90 HD3 LYS 90 -5.409 -9.894 -9.822 757 HE2 LYS 90 HE2 LYS 90 -6.647 -7.700 -9.090 758 HE3 LYS 90 HE3 LYS 90 -5.999 -7.002 -10.558 759 HZ1 LYS 90 HZ1 LYS 90 -7.051 -8.843 -11.757 760 HZ2 LYS 90 HZ2 LYS 90 -8.147 -7.934 -10.916 761 HZ3 LYS 90 HZ3 LYS 90 -7.684 -9.403 -10.340 762 H LEU 91 HN LEU 91 -2.740 -7.556 -4.497 763 HA LEU 91 HA LEU 91 -4.490 -8.844 -2.468 764 HB2 LEU 91 HB2 LEU 91 -2.316 -6.726 -2.305 765 HB3 LEU 91 HB3 LEU 91 -3.283 -7.165 -0.939 766 HG LEU 91 HG LEU 91 -1.639 -9.236 -2.414 767 HD11 LEU 91 HD11 LEU 91 0.278 -8.394 -1.614 768 HD12 LEU 91 HD12 LEU 91 -0.330 -8.473 0.033 769 HD13 LEU 91 HD13 LEU 91 -0.556 -7.018 -0.913 770 HD21 LEU 91 HD21 LEU 91 -2.495 -9.262 0.512 771 HD22 LEU 91 HD22 LEU 91 -1.884 -10.592 -0.451 772 HD23 LEU 91 HD23 LEU 91 -3.491 -9.956 -0.755 773 H VAL 92 HN VAL 92 -6.109 -7.696 -1.437 774 HA VAL 92 HA VAL 92 -6.815 -4.972 -2.423 775 HB VAL 92 HB VAL 92 -8.720 -7.319 -1.942 776 HG11 VAL 92 HG11 VAL 92 -10.529 -5.760 -2.750 777 HG12 VAL 92 HG12 VAL 92 -9.876 -5.286 -1.201 778 HG13 VAL 92 HG13 VAL 92 -9.386 -4.426 -2.660 779 HG21 VAL 92 HG21 VAL 92 -7.663 -7.581 -4.135 780 HG22 VAL 92 HG22 VAL 92 -9.323 -7.078 -4.357 781 HG23 VAL 92 HG23 VAL 92 -8.020 -5.910 -4.554 782 H THR 93 HN THR 93 -7.367 -3.584 -0.805 783 HA THR 93 HA THR 93 -8.473 -4.539 1.685 784 HB THR 93 HB THR 93 -6.052 -4.699 2.213 785 HG1 THR 93 HG1 THR 93 -7.389 -4.134 3.888 786 HG21 THR 93 HG21 THR 93 -5.847 -1.665 1.840 787 HG22 THR 93 HG22 THR 93 -5.138 -2.848 0.739 788 HG23 THR 93 HG23 THR 93 -4.590 -2.750 2.405 789 H THR 94 HN THR 94 -9.613 -2.939 2.774 790 HA THR 94 HA THR 94 -9.770 -0.254 1.524 791 HB THR 94 HB THR 94 -12.200 -0.235 2.225 792 HG1 THR 94 HG1 THR 94 -11.933 -3.022 2.527 793 HG21 THR 94 HG21 THR 94 -11.710 -0.721 -0.138 794 HG22 THR 94 HG22 THR 94 -13.100 -1.643 0.405 795 HG23 THR 94 HG23 THR 94 -11.540 -2.438 0.212 796 H PHE 95 HN PHE 95 -10.922 1.274 3.245 797 HA PHE 95 HA PHE 95 -9.891 0.720 5.989 798 HB2 PHE 95 HB2 PHE 95 -9.294 3.218 4.329 799 HB3 PHE 95 HB3 PHE 95 -8.982 3.053 6.036 800 HD1 PHE 95 HD1 PHE 95 -7.887 2.023 2.653 801 HD2 PHE 95 HD2 PHE 95 -7.209 1.492 6.882 802 HE1 PHE 95 HE1 PHE 95 -5.739 0.940 2.187 803 HE2 PHE 95 HE2 PHE 95 -5.054 0.419 6.373 804 HZ PHE 95 HZ PHE 95 -4.315 0.157 4.036 805 H LYS 96 HN LYS 96 -11.224 3.717 4.628 806 HA LYS 96 HA LYS 96 -13.855 3.193 5.951 807 HB2 LYS 96 HB2 LYS 96 -12.399 5.893 5.757 808 HB3 LYS 96 HB3 LYS 96 -14.017 5.624 6.320 809 HG2 LYS 96 HG2 LYS 96 -13.006 5.726 8.341 810 HG3 LYS 96 HG3 LYS 96 -12.887 4.007 8.090 811 HD2 LYS 96 HD2 LYS 96 -10.519 4.363 7.189 812 HD3 LYS 96 HD3 LYS 96 -10.672 6.052 7.551 813 HE2 LYS 96 HE2 LYS 96 -10.859 3.807 9.631 814 HE3 LYS 96 HE3 LYS 96 -9.423 4.753 9.298 815 HZ1 LYS 96 HZ1 LYS 96 -11.961 5.848 10.265 816 HZ2 LYS 96 HZ2 LYS 96 -10.598 6.719 9.945 817 HZ3 LYS 96 HZ3 LYS 96 -10.598 5.607 11.161 818 H ASN 97 HN ASN 97 -12.099 5.149 3.522 819 HA ASN 97 HA ASN 97 -14.183 4.702 1.510 820 HB2 ASN 97 HB2 ASN 97 -14.283 7.203 1.058 821 HB3 ASN 97 HB3 ASN 97 -14.986 6.694 2.558 822 HD21 ASN 97 HD21 ASN 97 -12.176 8.380 1.156 823 HD22 ASN 97 HD22 ASN 97 -11.704 9.172 2.636 824 H ILE 98 HN ILE 98 -11.195 4.087 2.124 825 HA ILE 98 HA ILE 98 -9.940 5.018 -0.423 826 HB ILE 98 HB ILE 98 -8.732 4.024 2.194 827 HG12 ILE 98 HG12 ILE 98 -8.162 6.774 1.171 828 HG13 ILE 98 HG13 ILE 98 -9.669 6.521 1.991 829 HG21 ILE 98 HG21 ILE 98 -7.266 4.956 -0.319 830 HG22 ILE 98 HG22 ILE 98 -6.498 4.618 1.227 831 HG23 ILE 98 HG23 ILE 98 -7.258 3.322 0.337 832 HD11 ILE 98 HD11 ILE 98 -8.590 5.759 4.030 833 HD12 ILE 98 HD12 ILE 98 -7.005 5.751 3.261 834 HD13 ILE 98 HD13 ILE 98 -7.843 7.274 3.535 835 H LYS 99 HN LYS 99 -9.987 3.382 -1.923 836 HA LYS 99 HA LYS 99 -10.033 0.525 -1.028 837 HB2 LYS 99 HB2 LYS 99 -12.043 1.358 -2.229 838 HB3 LYS 99 HB3 LYS 99 -11.052 1.847 -3.577 839 HG2 LYS 99 HG2 LYS 99 -10.323 -0.639 -3.779 840 HG3 LYS 99 HG3 LYS 99 -11.544 -1.002 -2.600 841 HD2 LYS 99 HD2 LYS 99 -11.969 0.185 -5.381 842 HD3 LYS 99 HD3 LYS 99 -12.315 -1.438 -4.882 843 HE2 LYS 99 HE2 LYS 99 -14.441 -0.456 -4.889 844 HE3 LYS 99 HE3 LYS 99 -14.028 -0.404 -3.187 845 HZ1 LYS 99 HZ1 LYS 99 -14.925 1.657 -3.982 846 HZ2 LYS 99 HZ2 LYS 99 -13.755 1.793 -5.134 847 HZ3 LYS 99 HZ3 LYS 99 -13.356 1.896 -3.538 848 H SER 100 HN SER 100 -7.952 -0.093 -0.935 849 HA SER 100 HA SER 100 -5.992 0.765 -2.985 850 HB2 SER 100 HB2 SER 100 -5.752 -0.552 -0.228 851 HB3 SER 100 HB3 SER 100 -4.390 -0.205 -1.279 852 HG SER 100 HG SER 100 -4.723 1.457 0.194 853 H VAL 101 HN VAL 101 -5.331 -0.589 -4.551 854 HA VAL 101 HA VAL 101 -5.600 -3.531 -4.199 855 HB VAL 101 HB VAL 101 -6.268 -1.935 -6.716 856 HG11 VAL 101 HG11 VAL 101 -6.948 -4.153 -7.685 857 HG12 VAL 101 HG12 VAL 101 -5.226 -4.067 -7.396 858 HG13 VAL 101 HG13 VAL 101 -6.255 -4.961 -6.284 859 HG21 VAL 101 HG21 VAL 101 -8.573 -2.872 -6.445 860 HG22 VAL 101 HG22 VAL 101 -8.115 -3.501 -4.865 861 HG23 VAL 101 HG23 VAL 101 -8.139 -1.765 -5.160 862 H THR 102 HN THR 102 -3.561 -4.199 -4.055 863 HA THR 102 HA THR 102 -1.360 -3.041 -5.672 864 HB THR 102 HB THR 102 -1.383 -5.356 -3.671 865 HG1 THR 102 HG1 THR 102 -1.822 -3.373 -2.711 866 HG21 THR 102 HG21 THR 102 0.604 -5.605 -5.115 867 HG22 THR 102 HG22 THR 102 1.107 -4.995 -3.555 868 HG23 THR 102 HG23 THR 102 0.995 -3.897 -4.929 869 H GLU 103 HN GLU 103 -0.297 -4.296 -7.280 870 HA GLU 103 HA GLU 103 -1.428 -6.890 -8.126 871 HB2 GLU 103 HB2 GLU 103 -2.838 -5.290 -9.248 872 HB3 GLU 103 HB3 GLU 103 -1.507 -4.267 -9.670 873 HG2 GLU 103 HG2 GLU 103 -0.640 -6.111 -11.224 874 HG3 GLU 103 HG3 GLU 103 -2.066 -7.050 -10.839 875 H LEU 104 HN LEU 104 0.270 -8.210 -8.360 876 HA LEU 104 HA LEU 104 2.940 -7.116 -9.075 877 HB2 LEU 104 HB2 LEU 104 2.428 -8.646 -7.073 878 HB3 LEU 104 HB3 LEU 104 2.173 -9.944 -8.195 879 HG LEU 104 HG LEU 104 4.719 -8.307 -7.886 880 HD11 LEU 104 HD11 LEU 104 3.829 -10.172 -6.070 881 HD12 LEU 104 HD12 LEU 104 5.514 -9.737 -6.351 882 HD13 LEU 104 HD13 LEU 104 4.822 -11.168 -7.108 883 HD21 LEU 104 HD21 LEU 104 5.186 -9.065 -9.953 884 HD22 LEU 104 HD22 LEU 104 4.063 -10.419 -9.878 885 HD23 LEU 104 HD23 LEU 104 5.640 -10.545 -9.127 886 H ASN 105 HN ASN 105 3.660 -7.296 -11.137 887 HA ASN 105 HA ASN 105 2.600 -9.398 -12.941 888 HB2 ASN 105 HB2 ASN 105 2.913 -6.386 -13.461 889 HB3 ASN 105 HB3 ASN 105 3.074 -7.526 -14.764 890 HD21 ASN 105 HD21 ASN 105 0.614 -8.285 -12.298 891 HD22 ASN 105 HD22 ASN 105 -0.727 -7.872 -13.339 892 H GLY 106 HN GLY 106 4.503 -10.557 -12.154 893 HA2 GLY 106 HA2 GLY 106 6.567 -11.437 -12.486 894 HA3 GLY 106 HA1 GLY 106 6.746 -10.402 -13.892 895 H ASP 107 HN ASP 107 8.267 -8.793 -13.770 896 HA ASP 107 HA ASP 107 9.487 -8.091 -11.174 897 HB2 ASP 107 HB2 ASP 107 11.338 -7.110 -12.551 898 HB3 ASP 107 HB3 ASP 107 11.175 -8.818 -12.683 899 H ILE 108 HN ILE 108 6.794 -7.014 -12.240 900 HA ILE 108 HA ILE 108 7.430 -4.129 -11.801 901 HB ILE 108 HB ILE 108 5.203 -5.233 -13.578 902 HG12 ILE 108 HG12 ILE 108 7.254 -5.683 -14.773 903 HG13 ILE 108 HG13 ILE 108 6.345 -4.442 -15.554 904 HG21 ILE 108 HG21 ILE 108 4.547 -3.063 -12.656 905 HG22 ILE 108 HG22 ILE 108 6.076 -2.343 -13.150 906 HG23 ILE 108 HG23 ILE 108 4.913 -2.880 -14.354 907 HD11 ILE 108 HD11 ILE 108 9.084 -4.327 -14.786 908 HD12 ILE 108 HD12 ILE 108 8.132 -3.023 -15.479 909 HD13 ILE 108 HD13 ILE 108 8.281 -3.170 -13.737 910 H ILE 109 HN ILE 109 6.104 -3.094 -10.374 911 HA ILE 109 HA ILE 109 3.826 -4.593 -9.139 912 HB ILE 109 HB ILE 109 5.704 -2.555 -7.883 913 HG12 ILE 109 HG12 ILE 109 6.665 -4.827 -7.999 914 HG13 ILE 109 HG13 ILE 109 6.492 -4.161 -6.401 915 HG21 ILE 109 HG21 ILE 109 3.197 -3.780 -6.645 916 HG22 ILE 109 HG22 ILE 109 4.430 -2.909 -5.739 917 HG23 ILE 109 HG23 ILE 109 3.487 -2.073 -6.949 918 HD11 ILE 109 HD11 ILE 109 4.811 -5.681 -5.761 919 HD12 ILE 109 HD12 ILE 109 4.318 -6.024 -7.415 920 HD13 ILE 109 HD13 ILE 109 5.836 -6.666 -6.790 921 H THR 110 HN THR 110 2.113 -3.802 -10.131 922 HA THR 110 HA THR 110 1.689 -0.905 -10.573 923 HB THR 110 HB THR 110 0.042 -3.436 -11.099 924 HG1 THR 110 HG1 THR 110 0.361 -2.794 -13.238 925 HG21 THR 110 HG21 THR 110 -0.782 -0.546 -11.711 926 HG22 THR 110 HG22 THR 110 -1.639 -1.664 -10.647 927 HG23 THR 110 HG23 THR 110 -1.568 -1.982 -12.366 928 H ASN 111 HN ASN 111 0.253 0.266 -9.242 929 HA ASN 111 HA ASN 111 -1.198 -1.047 -7.032 930 HB2 ASN 111 HB2 ASN 111 1.223 -0.537 -6.266 931 HB3 ASN 111 HB3 ASN 111 0.884 1.150 -6.507 932 HD21 ASN 111 HD21 ASN 111 0.691 -1.525 -4.346 933 HD22 ASN 111 HD22 ASN 111 -0.271 -0.769 -3.107 934 H THR 112 HN THR 112 -3.158 -0.211 -7.006 935 HA THR 112 HA THR 112 -3.604 2.576 -7.992 936 HB THR 112 HB THR 112 -5.263 0.075 -8.612 937 HG1 THR 112 HG1 THR 112 -3.404 0.273 -9.849 938 HG21 THR 112 HG21 THR 112 -6.797 2.041 -8.420 939 HG22 THR 112 HG22 THR 112 -6.599 1.598 -10.104 940 HG23 THR 112 HG23 THR 112 -5.735 2.990 -9.456 941 H MET 113 HN MET 113 -4.494 3.757 -6.459 942 HA MET 113 HA MET 113 -6.184 2.536 -4.326 943 HB2 MET 113 HB2 MET 113 -4.294 4.930 -4.186 944 HB3 MET 113 HB3 MET 113 -5.358 4.397 -2.912 945 HG2 MET 113 HG2 MET 113 -4.129 2.245 -2.732 946 HG3 MET 113 HG3 MET 113 -3.106 2.684 -4.066 947 HE1 MET 113 HE1 MET 113 -4.185 3.795 -0.400 948 HE2 MET 113 HE2 MET 113 -2.908 4.950 -0.012 949 HE3 MET 113 HE3 MET 113 -4.119 5.358 -1.226 950 H THR 114 HN THR 114 -8.118 3.572 -3.873 951 HA THR 114 HA THR 114 -8.854 5.964 -5.501 952 HB THR 114 HB THR 114 -10.511 3.427 -5.126 953 HG1 THR 114 HG1 THR 114 -8.872 3.263 -6.654 954 HG21 THR 114 HG21 THR 114 -12.109 4.518 -6.747 955 HG22 THR 114 HG22 THR 114 -11.201 6.020 -6.613 956 HG23 THR 114 HG23 THR 114 -12.061 5.380 -5.221 957 H LEU 115 HN LEU 115 -8.771 7.414 -3.834 958 HA LEU 115 HA LEU 115 -10.448 6.991 -1.416 959 HB2 LEU 115 HB2 LEU 115 -8.104 7.702 -1.136 960 HB3 LEU 115 HB3 LEU 115 -8.378 9.157 -2.043 961 HG LEU 115 HG LEU 115 -9.869 8.417 0.514 962 HD11 LEU 115 HD11 LEU 115 -8.226 9.226 1.843 963 HD12 LEU 115 HD12 LEU 115 -7.848 10.575 0.784 964 HD13 LEU 115 HD13 LEU 115 -7.160 9.001 0.472 965 HD21 LEU 115 HD21 LEU 115 -10.042 11.119 0.552 966 HD22 LEU 115 HD22 LEU 115 -11.247 10.116 -0.220 967 HD23 LEU 115 HD23 LEU 115 -9.989 10.896 -1.183 968 H GLY 116 HN GLY 116 -12.544 7.414 -1.956 969 HA2 GLY 116 HA2 GLY 116 -14.403 8.613 -2.518 970 HA3 GLY 116 HA1 GLY 116 -13.423 10.069 -2.480 971 H ASP 117 HN ASP 117 -13.029 11.078 -4.412 972 HA ASP 117 HA ASP 117 -13.691 9.732 -6.974 973 HB2 ASP 117 HB2 ASP 117 -14.844 11.974 -6.121 974 HB3 ASP 117 HB3 ASP 117 -13.316 12.719 -6.513 975 H ILE 118 HN ILE 118 -10.962 10.534 -5.090 976 HA ILE 118 HA ILE 118 -9.186 11.314 -7.309 977 HB ILE 118 HB ILE 118 -8.569 10.705 -4.376 978 HG12 ILE 118 HG12 ILE 118 -8.890 13.463 -5.615 979 HG13 ILE 118 HG13 ILE 118 -10.155 12.686 -4.710 980 HG21 ILE 118 HG21 ILE 118 -6.836 12.095 -6.475 981 HG22 ILE 118 HG22 ILE 118 -6.448 11.972 -4.768 982 HG23 ILE 118 HG23 ILE 118 -6.510 10.529 -5.740 983 HD11 ILE 118 HD11 ILE 118 -8.310 12.451 -2.792 984 HD12 ILE 118 HD12 ILE 118 -7.566 13.789 -3.666 985 HD13 ILE 118 HD13 ILE 118 -9.197 13.953 -3.028 986 H VAL 119 HN VAL 119 -7.881 9.854 -8.387 987 HA VAL 119 HA VAL 119 -7.786 7.025 -7.402 988 HB VAL 119 HB VAL 119 -7.912 7.967 -10.297 989 HG11 VAL 119 HG11 VAL 119 -8.264 5.555 -10.810 990 HG12 VAL 119 HG12 VAL 119 -6.713 5.775 -10.026 991 HG13 VAL 119 HG13 VAL 119 -8.073 5.150 -9.109 992 HG21 VAL 119 HG21 VAL 119 -10.199 6.980 -10.348 993 HG22 VAL 119 HG22 VAL 119 -10.134 6.752 -8.604 994 HG23 VAL 119 HG23 VAL 119 -10.116 8.373 -9.291 995 H PHE 120 HN PHE 120 -5.815 7.535 -6.299 996 HA PHE 120 HA PHE 120 -3.449 8.384 -7.689 997 HB2 PHE 120 HB2 PHE 120 -3.588 8.787 -5.363 998 HB3 PHE 120 HB3 PHE 120 -3.954 7.134 -4.964 999 HD1 PHE 120 HD1 PHE 120 -1.302 9.215 -6.634 1000 HD2 PHE 120 HD2 PHE 120 -2.125 5.718 -4.263 1001 HE1 PHE 120 HE1 PHE 120 1.102 8.761 -6.438 1002 HE2 PHE 120 HE2 PHE 120 0.294 5.324 -4.032 1003 HZ PHE 120 HZ PHE 120 1.907 6.858 -5.103 1004 H LYS 121 HN LYS 121 -1.951 7.274 -8.790 1005 HA LYS 121 HA LYS 121 -1.992 4.298 -8.791 1006 HB2 LYS 121 HB2 LYS 121 -1.869 6.224 -11.139 1007 HB3 LYS 121 HB3 LYS 121 -1.335 4.576 -11.283 1008 HG2 LYS 121 HG2 LYS 121 -3.485 3.655 -10.934 1009 HG3 LYS 121 HG3 LYS 121 -4.139 5.122 -10.260 1010 HD2 LYS 121 HD2 LYS 121 -4.011 6.274 -12.414 1011 HD3 LYS 121 HD3 LYS 121 -3.222 4.906 -13.157 1012 HE2 LYS 121 HE2 LYS 121 -5.235 3.509 -12.891 1013 HE3 LYS 121 HE3 LYS 121 -6.024 4.741 -11.928 1014 HZ1 LYS 121 HZ1 LYS 121 -5.244 5.059 -14.729 1015 HZ2 LYS 121 HZ2 LYS 121 -5.988 6.201 -13.804 1016 HZ3 LYS 121 HZ3 LYS 121 -6.773 4.796 -14.166 1017 H ARG 122 HN ARG 122 0.016 3.323 -9.141 1018 HA ARG 122 HA ARG 122 2.461 4.911 -9.184 1019 HB2 ARG 122 HB2 ARG 122 1.781 5.060 -6.852 1020 HB3 ARG 122 HB3 ARG 122 1.539 3.344 -6.721 1021 HG2 ARG 122 HG2 ARG 122 4.034 2.960 -6.914 1022 HG3 ARG 122 HG3 ARG 122 4.163 4.632 -7.384 1023 HD2 ARG 122 HD2 ARG 122 3.805 5.531 -5.364 1024 HD3 ARG 122 HD3 ARG 122 2.982 4.203 -4.621 1025 HE ARG 122 HE ARG 122 5.870 4.796 -5.142 1026 HH11 ARG 122 HH11 ARG 122 3.645 2.417 -3.683 1027 HH12 ARG 122 HH12 ARG 122 4.907 1.646 -2.757 1028 HH21 ARG 122 HH21 ARG 122 7.470 3.794 -3.893 1029 HH22 ARG 122 HH22 ARG 122 7.073 2.432 -2.879 1030 H ILE 123 HN ILE 123 4.008 3.846 -10.224 1031 HA ILE 123 HA ILE 123 3.805 0.892 -10.609 1032 HB ILE 123 HB ILE 123 4.968 2.950 -12.550 1033 HG12 ILE 123 HG12 ILE 123 2.974 1.820 -13.991 1034 HG13 ILE 123 HG13 ILE 123 2.232 1.675 -12.432 1035 HG21 ILE 123 HG21 ILE 123 4.596 -0.071 -12.848 1036 HG22 ILE 123 HG22 ILE 123 5.138 1.015 -14.123 1037 HG23 ILE 123 HG23 ILE 123 6.141 0.765 -12.718 1038 HD11 ILE 123 HD11 ILE 123 3.218 4.259 -13.781 1039 HD12 ILE 123 HD12 ILE 123 1.544 3.777 -13.542 1040 HD13 ILE 123 HD13 ILE 123 2.529 4.230 -12.162 1041 H SER 124 HN SER 124 5.559 -0.197 -9.943 1042 HA SER 124 HA SER 124 8.190 1.144 -9.653 1043 HB2 SER 124 HB2 SER 124 6.806 -0.691 -7.607 1044 HB3 SER 124 HB3 SER 124 8.509 -0.275 -7.560 1045 HG SER 124 HG SER 124 6.344 1.525 -7.405 1046 H LYS 125 HN LYS 125 9.991 -0.417 -9.795 1047 HA LYS 125 HA LYS 125 9.322 -2.919 -11.279 1048 HB2 LYS 125 HB2 LYS 125 9.885 -1.129 -12.822 1049 HB3 LYS 125 HB3 LYS 125 11.369 -0.775 -11.989 1050 HG2 LYS 125 HG2 LYS 125 10.953 -3.560 -13.110 1051 HG3 LYS 125 HG3 LYS 125 11.236 -2.258 -14.219 1052 HD2 LYS 125 HD2 LYS 125 13.366 -1.679 -13.062 1053 HD3 LYS 125 HD3 LYS 125 13.143 -2.982 -11.939 1054 HE2 LYS 125 HE2 LYS 125 13.463 -3.310 -14.973 1055 HE3 LYS 125 HE3 LYS 125 14.718 -3.571 -13.776 1056 HZ1 LYS 125 HZ1 LYS 125 12.237 -5.123 -14.006 1057 HZ2 LYS 125 HZ2 LYS 125 13.362 -5.305 -12.815 1058 HZ3 LYS 125 HZ3 LYS 125 13.748 -5.617 -14.390 1059 H ARG 126 HN ARG 126 10.334 -4.678 -10.654 1060 HA ARG 126 HA ARG 126 11.795 -4.791 -8.213 1061 HB2 ARG 126 HB2 ARG 126 10.104 -6.424 -9.265 1062 HB3 ARG 126 HB3 ARG 126 11.379 -7.001 -10.274 1063 HG2 ARG 126 HG2 ARG 126 11.423 -7.110 -7.180 1064 HG3 ARG 126 HG3 ARG 126 10.801 -8.316 -8.246 1065 HD2 ARG 126 HD2 ARG 126 13.644 -7.497 -8.567 1066 HD3 ARG 126 HD3 ARG 126 13.245 -8.698 -7.383 1067 HE ARG 126 HE ARG 126 12.021 -9.493 -9.776 1068 HH11 ARG 126 HH11 ARG 126 15.378 -8.663 -8.895 1069 HH12 ARG 126 HH12 ARG 126 16.070 -9.712 -10.102 1070 HH21 ARG 126 HH21 ARG 126 12.964 -10.743 -11.432 1071 HH22 ARG 126 HH22 ARG 126 14.695 -10.862 -11.571 1072 H ILE 127 HN ILE 127 13.976 -4.508 -7.917 1073 HA ILE 127 HA ILE 127 15.681 -4.214 -10.273 1074 HB ILE 127 HB ILE 127 16.885 -3.974 -7.527 1075 HG12 ILE 127 HG12 ILE 127 16.035 -1.399 -7.838 1076 HG13 ILE 127 HG13 ILE 127 14.598 -2.224 -8.334 1077 HG21 ILE 127 HG21 ILE 127 18.236 -3.612 -9.570 1078 HG22 ILE 127 HG22 ILE 127 17.182 -2.278 -10.032 1079 HG23 ILE 127 HG23 ILE 127 18.154 -2.175 -8.566 1080 HD11 ILE 127 HD11 ILE 127 16.145 -2.493 -5.708 1081 HD12 ILE 127 HD12 ILE 127 14.498 -1.916 -5.907 1082 HD13 ILE 127 HD13 ILE 127 14.870 -3.627 -6.127 Start of MODEL 2 1 H1 HIS -7 HN HIS -7 19.200 -14.409 -15.415 2 HA HIS -7 HA HIS -7 16.647 -14.477 -14.867 3 HB2 HIS -7 HB2 HIS -7 18.085 -12.452 -15.909 4 HB3 HIS -7 HB3 HIS -7 17.766 -13.120 -17.482 5 HD1 HIS -7 HD1 HIS -7 16.057 -11.338 -14.585 6 HD2 HIS -7 HD2 HIS -7 15.276 -12.262 -18.628 7 HE1 HIS -7 HE1 HIS -7 14.004 -10.052 -15.318 8 H HIS -6 HN HIS -6 16.916 -17.065 -15.597 9 HA HIS -6 HA HIS -6 14.745 -17.336 -17.544 10 HB2 HIS -6 HB2 HIS -6 16.952 -17.361 -18.832 11 HB3 HIS -6 HB3 HIS -6 17.416 -18.781 -17.936 12 HD1 HIS -6 HD1 HIS -6 16.809 -20.959 -19.080 13 HD2 HIS -6 HD2 HIS -6 14.363 -17.789 -20.410 14 HE1 HIS -6 HE1 HIS -6 15.340 -21.815 -20.953 15 H HIS -5 HN HIS -5 13.340 -18.673 -16.751 16 HA HIS -5 HA HIS -5 13.854 -21.218 -15.730 17 HB2 HIS -5 HB2 HIS -5 13.946 -19.175 -13.631 18 HB3 HIS -5 HB3 HIS -5 12.498 -20.097 -13.405 19 HD1 HIS -5 HD1 HIS -5 16.257 -20.537 -13.504 20 HD2 HIS -5 HD2 HIS -5 12.837 -22.767 -12.457 21 HE1 HIS -5 HE1 HIS -5 17.006 -22.593 -12.223 22 H HIS -4 HN HIS -4 11.588 -18.483 -15.325 23 HA HIS -4 HA HIS -4 9.408 -18.231 -15.479 24 HB2 HIS -4 HB2 HIS -4 8.571 -18.390 -17.797 25 HB3 HIS -4 HB3 HIS -4 10.142 -17.675 -17.673 26 HD1 HIS -4 HD1 HIS -4 11.362 -18.232 -19.761 27 HD2 HIS -4 HD2 HIS -4 9.226 -21.591 -18.360 28 HE1 HIS -4 HE1 HIS -4 11.856 -20.190 -21.280 29 H HIS -3 HN HIS -3 9.857 -20.557 -14.026 30 HA HIS -3 HA HIS -3 8.655 -22.846 -14.919 31 HB2 HIS -3 HB2 HIS -3 8.774 -23.522 -12.447 32 HB3 HIS -3 HB3 HIS -3 10.234 -23.067 -13.264 33 HD1 HIS -3 HD1 HIS -3 11.272 -22.722 -10.886 34 HD2 HIS -3 HD2 HIS -3 8.262 -19.925 -11.839 35 HE1 HIS -3 HE1 HIS -3 11.451 -20.777 -9.284 36 H HIS -2 HN HIS -2 6.923 -20.191 -13.419 37 HA HIS -2 HA HIS -2 4.784 -19.780 -13.074 38 HB2 HIS -2 HB2 HIS -2 4.978 -20.279 -15.575 39 HB3 HIS -2 HB3 HIS -2 4.298 -21.851 -15.275 40 HD1 HIS -2 HD1 HIS -2 2.429 -21.091 -16.989 41 HD2 HIS -2 HD2 HIS -2 2.397 -18.953 -13.351 42 HE1 HIS -2 HE1 HIS -2 0.214 -19.884 -16.789 43 H VAL -1 HN VAL -1 5.679 -21.481 -11.114 44 HA VAL -1 HA VAL -1 3.633 -23.590 -10.704 45 HB VAL -1 HB VAL -1 5.154 -24.342 -8.903 46 HG11 VAL -1 HG11 VAL -1 6.869 -25.324 -10.331 47 HG12 VAL -1 HG12 VAL -1 5.318 -25.324 -11.159 48 HG13 VAL -1 HG13 VAL -1 6.549 -24.143 -11.591 49 HG21 VAL -1 HG21 VAL -1 6.333 -22.281 -8.231 50 HG22 VAL -1 HG22 VAL -1 7.484 -23.502 -8.731 51 HG23 VAL -1 HG23 VAL -1 7.104 -22.173 -9.813 52 H ALA 0 HN ALA 0 4.619 -20.449 -9.399 53 HA ALA 0 HA ALA 0 2.292 -20.186 -7.787 54 HB1 ALA 0 HB1 ALA 0 3.504 -20.036 -5.547 55 HB2 ALA 0 HB2 ALA 0 3.467 -21.674 -6.171 56 HB3 ALA 0 HB3 ALA 0 4.940 -20.716 -6.306 57 H MET 1 HN MET 1 2.068 -18.068 -7.007 58 HA MET 1 HA MET 1 4.003 -16.055 -8.028 59 HB2 MET 1 HB2 MET 1 1.115 -15.801 -7.063 60 HB3 MET 1 HB3 MET 1 2.110 -14.475 -7.582 61 HG2 MET 1 HG2 MET 1 1.559 -16.803 -9.485 62 HG3 MET 1 HG3 MET 1 0.414 -15.528 -9.251 63 HE1 MET 1 HE1 MET 1 4.239 -15.333 -11.738 64 HE2 MET 1 HE2 MET 1 4.580 -15.417 -10.017 65 HE3 MET 1 HE3 MET 1 3.651 -16.712 -10.802 66 H SER 2 HN SER 2 4.972 -14.592 -6.696 67 HA SER 2 HA SER 2 4.582 -14.711 -3.806 68 HB2 SER 2 HB2 SER 2 6.911 -15.387 -3.364 69 HB3 SER 2 HB3 SER 2 6.049 -16.651 -4.206 70 HG SER 2 HG SER 2 8.105 -16.311 -5.084 71 H PHE 3 HN PHE 3 4.516 -12.732 -3.149 72 HA PHE 3 HA PHE 3 5.292 -10.482 -4.718 73 HB2 PHE 3 HB2 PHE 3 4.311 -10.769 -1.852 74 HB3 PHE 3 HB3 PHE 3 4.494 -9.237 -2.649 75 HD1 PHE 3 HD1 PHE 3 2.817 -8.385 -4.179 76 HD2 PHE 3 HD2 PHE 3 2.620 -12.475 -2.818 77 HE1 PHE 3 HE1 PHE 3 0.554 -8.620 -5.130 78 HE2 PHE 3 HE2 PHE 3 0.399 -12.690 -3.829 79 HZ PHE 3 HZ PHE 3 -0.659 -10.755 -4.923 80 H SER 4 HN SER 4 7.263 -12.419 -2.806 81 HA SER 4 HA SER 4 9.010 -10.729 -1.442 82 HB2 SER 4 HB2 SER 4 9.341 -13.464 -2.755 83 HB3 SER 4 HB3 SER 4 10.582 -12.722 -1.759 84 HG SER 4 HG SER 4 9.251 -14.024 -0.505 85 H GLY 5 HN GLY 5 10.345 -9.148 -2.151 86 HA2 GLY 5 HA2 GLY 5 12.429 -9.281 -3.904 87 HA3 GLY 5 HA1 GLY 5 11.085 -8.869 -4.973 88 H LYS 6 HN LYS 6 13.069 -7.045 -4.782 89 HA LYS 6 HA LYS 6 11.948 -4.812 -3.155 90 HB2 LYS 6 HB2 LYS 6 14.276 -5.845 -2.529 91 HB3 LYS 6 HB3 LYS 6 14.868 -5.120 -3.984 92 HG2 LYS 6 HG2 LYS 6 13.327 -3.163 -2.382 93 HG3 LYS 6 HG3 LYS 6 14.452 -3.992 -1.357 94 HD2 LYS 6 HD2 LYS 6 15.172 -2.491 -3.885 95 HD3 LYS 6 HD3 LYS 6 15.322 -1.875 -2.261 96 HE2 LYS 6 HE2 LYS 6 16.958 -3.739 -1.722 97 HE3 LYS 6 HE3 LYS 6 16.916 -4.227 -3.409 98 HZ1 LYS 6 HZ1 LYS 6 17.699 -2.042 -3.995 99 HZ2 LYS 6 HZ2 LYS 6 18.735 -2.786 -2.949 100 HZ3 LYS 6 HZ3 LYS 6 17.734 -1.594 -2.407 101 H TYR 7 HN TYR 7 11.434 -2.984 -4.243 102 HA TYR 7 HA TYR 7 11.837 -2.921 -7.194 103 HB2 TYR 7 HB2 TYR 7 9.206 -2.286 -5.779 104 HB3 TYR 7 HB3 TYR 7 9.481 -2.505 -7.482 105 HD1 TYR 7 HD1 TYR 7 9.131 -4.194 -4.188 106 HD2 TYR 7 HD2 TYR 7 9.326 -4.741 -8.463 107 HE1 TYR 7 HE1 TYR 7 8.407 -6.542 -3.929 108 HE2 TYR 7 HE2 TYR 7 8.601 -7.097 -8.193 109 HH TYR 7 HH TYR 7 7.901 -8.527 -4.973 110 H GLN 8 HN GLN 8 12.621 -1.022 -7.871 111 HA GLN 8 HA GLN 8 12.616 1.387 -6.221 112 HB2 GLN 8 HB2 GLN 8 13.945 2.301 -7.993 113 HB3 GLN 8 HB3 GLN 8 14.494 0.688 -7.724 114 HG2 GLN 8 HG2 GLN 8 12.602 0.317 -9.792 115 HG3 GLN 8 HG3 GLN 8 13.214 1.911 -10.119 116 HE21 GLN 8 HE21 GLN 8 13.641 -1.350 -10.738 117 HE22 GLN 8 HE22 GLN 8 15.307 -1.323 -11.262 118 H LEU 9 HN LEU 9 11.491 3.398 -6.827 119 HA LEU 9 HA LEU 9 8.915 3.042 -8.110 120 HB2 LEU 9 HB2 LEU 9 10.221 5.093 -6.496 121 HB3 LEU 9 HB3 LEU 9 9.622 5.833 -7.930 122 HG LEU 9 HG LEU 9 7.957 4.139 -6.044 123 HD11 LEU 9 HD11 LEU 9 8.278 7.153 -6.323 124 HD12 LEU 9 HD12 LEU 9 8.436 6.154 -4.880 125 HD13 LEU 9 HD13 LEU 9 6.851 6.437 -5.579 126 HD21 LEU 9 HD21 LEU 9 7.391 5.080 -8.785 127 HD22 LEU 9 HD22 LEU 9 6.227 5.686 -7.645 128 HD23 LEU 9 HD23 LEU 9 6.492 3.958 -7.772 129 H GLN 10 HN GLN 10 8.282 3.509 -10.136 130 HA GLN 10 HA GLN 10 10.309 4.447 -12.124 131 HB2 GLN 10 HB2 GLN 10 7.791 2.752 -12.501 132 HB3 GLN 10 HB3 GLN 10 8.839 3.278 -13.778 133 HG2 GLN 10 HG2 GLN 10 9.732 1.425 -11.496 134 HG3 GLN 10 HG3 GLN 10 9.155 0.896 -13.050 135 HE21 GLN 10 HE21 GLN 10 11.787 2.782 -11.480 136 HE22 GLN 10 HE22 GLN 10 12.955 2.497 -12.743 137 H SER 11 HN SER 11 6.823 4.645 -11.169 138 HA SER 11 HA SER 11 6.723 7.461 -11.750 139 HB2 SER 11 HB2 SER 11 5.809 5.458 -13.837 140 HB3 SER 11 HB3 SER 11 4.694 6.762 -13.509 141 HG SER 11 HG SER 11 7.403 7.073 -14.210 142 H GLN 12 HN GLN 12 4.659 8.410 -11.398 143 HA GLN 12 HA GLN 12 2.672 6.835 -9.875 144 HB2 GLN 12 HB2 GLN 12 3.578 9.665 -9.093 145 HB3 GLN 12 HB3 GLN 12 2.407 8.658 -8.303 146 HG2 GLN 12 HG2 GLN 12 4.082 8.241 -6.837 147 HG3 GLN 12 HG3 GLN 12 4.513 7.008 -7.980 148 HE21 GLN 12 HE21 GLN 12 5.259 10.280 -6.756 149 HE22 GLN 12 HE22 GLN 12 6.872 10.372 -7.405 150 H GLU 13 HN GLU 13 0.544 7.718 -10.110 151 HA GLU 13 HA GLU 13 0.218 10.080 -11.866 152 HB2 GLU 13 HB2 GLU 13 -1.141 7.368 -12.157 153 HB3 GLU 13 HB3 GLU 13 -1.940 8.798 -12.714 154 HG2 GLU 13 HG2 GLU 13 0.784 7.811 -13.709 155 HG3 GLU 13 HG3 GLU 13 -0.739 7.579 -14.529 156 H ASN 14 HN ASN 14 -1.391 11.416 -11.352 157 HA ASN 14 HA ASN 14 -2.512 12.660 -10.007 158 HB2 ASN 14 HB2 ASN 14 -3.919 10.039 -9.831 159 HB3 ASN 14 HB3 ASN 14 -4.246 10.963 -8.416 160 HD21 ASN 14 HD21 ASN 14 -6.235 10.225 -10.175 161 HD22 ASN 14 HD22 ASN 14 -6.915 11.681 -10.869 162 H PHE 15 HN PHE 15 0.067 11.672 -9.017 163 HA PHE 15 HA PHE 15 0.139 11.182 -6.285 164 HB2 PHE 15 HB2 PHE 15 2.079 10.946 -7.770 165 HB3 PHE 15 HB3 PHE 15 2.148 12.662 -8.040 166 HD1 PHE 15 HD1 PHE 15 2.896 9.923 -5.675 167 HD2 PHE 15 HD2 PHE 15 2.900 14.212 -6.162 168 HE1 PHE 15 HE1 PHE 15 4.208 10.176 -3.618 169 HE2 PHE 15 HE2 PHE 15 4.190 14.422 -4.084 170 HZ PHE 15 HZ PHE 15 4.839 12.413 -2.813 171 H GLU 16 HN GLU 16 0.386 14.412 -7.856 172 HA GLU 16 HA GLU 16 0.444 15.812 -5.389 173 HB2 GLU 16 HB2 GLU 16 -0.228 16.809 -8.183 174 HB3 GLU 16 HB3 GLU 16 0.060 17.820 -6.795 175 HG2 GLU 16 HG2 GLU 16 2.397 16.676 -6.614 176 HG3 GLU 16 HG3 GLU 16 2.075 15.967 -8.175 177 H ALA 17 HN ALA 17 -2.301 15.145 -7.655 178 HA ALA 17 HA ALA 17 -4.245 16.678 -6.315 179 HB1 ALA 17 HB1 ALA 17 -4.567 14.141 -7.991 180 HB2 ALA 17 HB2 ALA 17 -5.862 15.264 -7.595 181 HB3 ALA 17 HB3 ALA 17 -4.527 15.789 -8.613 182 H PHE 18 HN PHE 18 -3.234 13.278 -5.782 183 HA PHE 18 HA PHE 18 -5.172 12.726 -3.735 184 HB2 PHE 18 HB2 PHE 18 -4.313 10.932 -5.029 185 HB3 PHE 18 HB3 PHE 18 -2.652 11.327 -4.679 186 HD1 PHE 18 HD1 PHE 18 -5.792 9.930 -3.221 187 HD2 PHE 18 HD2 PHE 18 -1.577 10.626 -2.594 188 HE1 PHE 18 HE1 PHE 18 -5.822 8.489 -1.216 189 HE2 PHE 18 HE2 PHE 18 -1.657 9.196 -0.592 190 HZ PHE 18 HZ PHE 18 -3.773 8.137 0.094 191 H MET 19 HN MET 19 -1.716 13.751 -3.633 192 HA MET 19 HA MET 19 -1.509 13.692 -0.805 193 HB2 MET 19 HB2 MET 19 0.177 15.090 -2.889 194 HB3 MET 19 HB3 MET 19 0.515 15.071 -1.170 195 HG2 MET 19 HG2 MET 19 0.159 12.442 -2.620 196 HG3 MET 19 HG3 MET 19 1.685 13.286 -2.633 197 HE1 MET 19 HE1 MET 19 1.869 10.149 -0.129 198 HE2 MET 19 HE2 MET 19 0.758 10.282 -1.497 199 HE3 MET 19 HE3 MET 19 2.451 10.771 -1.678 200 H LYS 20 HN LYS 20 -2.402 16.377 -3.049 201 HA LYS 20 HA LYS 20 -2.789 18.367 -1.064 202 HB2 LYS 20 HB2 LYS 20 -3.819 17.960 -3.912 203 HB3 LYS 20 HB3 LYS 20 -4.580 19.115 -2.896 204 HG2 LYS 20 HG2 LYS 20 -3.203 20.599 -3.686 205 HG3 LYS 20 HG3 LYS 20 -2.129 20.054 -2.444 206 HD2 LYS 20 HD2 LYS 20 -0.899 18.653 -4.080 207 HD3 LYS 20 HD3 LYS 20 -2.074 19.019 -5.322 208 HE2 LYS 20 HE2 LYS 20 -1.446 21.461 -5.177 209 HE3 LYS 20 HE3 LYS 20 -0.232 21.074 -3.977 210 HZ1 LYS 20 HZ1 LYS 20 0.851 19.690 -5.637 211 HZ2 LYS 20 HZ2 LYS 20 0.691 21.244 -6.147 212 HZ3 LYS 20 HZ3 LYS 20 -0.303 20.079 -6.740 213 H ALA 21 HN ALA 21 -4.956 15.752 -2.232 214 HA ALA 21 HA ALA 21 -7.279 16.701 -0.874 215 HB1 ALA 21 HB1 ALA 21 -8.198 14.460 -1.456 216 HB2 ALA 21 HB2 ALA 21 -7.483 15.284 -2.834 217 HB3 ALA 21 HB3 ALA 21 -6.620 13.962 -2.051 218 H ILE 22 HN ILE 22 -4.746 14.323 0.125 219 HA ILE 22 HA ILE 22 -6.094 13.787 2.659 220 HB ILE 22 HB ILE 22 -4.031 12.597 3.304 221 HG12 ILE 22 HG12 ILE 22 -3.012 13.101 0.527 222 HG13 ILE 22 HG13 ILE 22 -2.391 13.957 1.897 223 HG21 ILE 22 HG21 ILE 22 -5.867 11.420 2.216 224 HG22 ILE 22 HG22 ILE 22 -5.156 11.711 0.624 225 HG23 ILE 22 HG23 ILE 22 -4.336 10.684 1.797 226 HD11 ILE 22 HD11 ILE 22 -0.832 12.203 1.682 227 HD12 ILE 22 HD12 ILE 22 -1.930 11.483 2.852 228 HD13 ILE 22 HD13 ILE 22 -2.035 11.045 1.147 229 H GLY 23 HN GLY 23 -4.555 16.532 1.584 230 HA2 GLY 23 HA2 GLY 23 -4.429 18.471 2.764 231 HA3 GLY 23 HA1 GLY 23 -4.682 17.616 4.268 232 H LEU 24 HN LEU 24 -2.012 16.702 2.047 233 HA LEU 24 HA LEU 24 -0.009 17.284 4.047 234 HB2 LEU 24 HB2 LEU 24 -0.099 16.065 1.288 235 HB3 LEU 24 HB3 LEU 24 1.411 16.714 1.758 236 HG LEU 24 HG LEU 24 0.999 14.270 2.152 237 HD11 LEU 24 HD11 LEU 24 2.674 14.157 3.694 238 HD12 LEU 24 HD12 LEU 24 1.980 15.368 4.764 239 HD13 LEU 24 HD13 LEU 24 2.806 15.855 3.298 240 HD21 LEU 24 HD21 LEU 24 -1.290 14.882 3.611 241 HD22 LEU 24 HD22 LEU 24 -0.127 14.575 4.876 242 HD23 LEU 24 HD23 LEU 24 -0.426 13.377 3.636 243 HA PRO 25 HA PRO 25 0.811 21.501 2.622 244 HB2 PRO 25 HB2 PRO 25 3.341 21.892 3.614 245 HB3 PRO 25 HB3 PRO 25 1.936 21.729 4.660 246 HG2 PRO 25 HG2 PRO 25 3.875 19.555 3.849 247 HG3 PRO 25 HG3 PRO 25 3.423 19.989 5.497 248 HD2 PRO 25 HD2 PRO 25 2.174 17.943 4.204 249 HD3 PRO 25 HD3 PRO 25 1.217 19.037 5.210 250 H GLU 26 HN GLU 26 1.874 22.586 0.918 251 HA GLU 26 HA GLU 26 2.489 20.977 -1.257 252 HB2 GLU 26 HB2 GLU 26 1.396 23.121 -1.376 253 HB3 GLU 26 HB3 GLU 26 2.850 23.962 -0.915 254 HG2 GLU 26 HG2 GLU 26 3.988 23.308 -3.002 255 HG3 GLU 26 HG3 GLU 26 2.680 22.227 -3.433 256 H GLU 27 HN GLU 27 4.798 22.180 1.115 257 HA GLU 27 HA GLU 27 7.132 21.737 -0.482 258 HB2 GLU 27 HB2 GLU 27 7.222 23.173 1.436 259 HB3 GLU 27 HB3 GLU 27 6.708 21.906 2.516 260 HG2 GLU 27 HG2 GLU 27 8.831 20.695 2.246 261 HG3 GLU 27 HG3 GLU 27 9.294 21.704 0.894 262 H LEU 28 HN LEU 28 5.342 19.584 1.807 263 HA LEU 28 HA LEU 28 7.084 17.337 1.383 264 HB2 LEU 28 HB2 LEU 28 4.265 17.548 2.517 265 HB3 LEU 28 HB3 LEU 28 5.157 16.056 2.454 266 HG LEU 28 HG LEU 28 6.002 18.535 4.009 267 HD11 LEU 28 HD11 LEU 28 4.989 15.824 4.988 268 HD12 LEU 28 HD12 LEU 28 4.115 17.345 5.085 269 HD13 LEU 28 HD13 LEU 28 5.576 17.125 6.020 270 HD21 LEU 28 HD21 LEU 28 8.104 17.621 3.605 271 HD22 LEU 28 HD22 LEU 28 7.467 15.986 3.408 272 HD23 LEU 28 HD23 LEU 28 7.661 16.665 5.011 273 H ILE 29 HN ILE 29 4.350 18.629 -0.417 274 HA ILE 29 HA ILE 29 3.913 16.273 -2.034 275 HB ILE 29 HB ILE 29 3.174 19.184 -2.516 276 HG12 ILE 29 HG12 ILE 29 1.312 16.933 -1.770 277 HG13 ILE 29 HG13 ILE 29 2.088 17.860 -0.535 278 HG21 ILE 29 HG21 ILE 29 3.208 18.096 -4.726 279 HG22 ILE 29 HG22 ILE 29 2.310 16.720 -4.096 280 HG23 ILE 29 HG23 ILE 29 1.546 18.293 -4.241 281 HD11 ILE 29 HD11 ILE 29 -0.337 18.505 -1.725 282 HD12 ILE 29 HD12 ILE 29 0.639 19.597 -0.760 283 HD13 ILE 29 HD13 ILE 29 0.777 19.633 -2.502 284 H GLN 30 HN GLN 30 5.641 19.443 -2.616 285 HA GLN 30 HA GLN 30 6.575 18.709 -5.175 286 HB2 GLN 30 HB2 GLN 30 7.592 20.832 -3.225 287 HB3 GLN 30 HB3 GLN 30 8.222 20.631 -4.828 288 HG2 GLN 30 HG2 GLN 30 5.554 21.761 -4.031 289 HG3 GLN 30 HG3 GLN 30 6.747 22.407 -5.097 290 HE21 GLN 30 HE21 GLN 30 3.811 20.687 -4.842 291 HE22 GLN 30 HE22 GLN 30 3.636 20.186 -6.508 292 H LYS 31 HN LYS 31 8.267 18.387 -2.005 293 HA LYS 31 HA LYS 31 10.628 17.261 -3.214 294 HB2 LYS 31 HB2 LYS 31 11.442 17.025 -1.062 295 HB3 LYS 31 HB3 LYS 31 10.444 18.431 -0.967 296 HG2 LYS 31 HG2 LYS 31 9.693 17.407 0.945 297 HG3 LYS 31 HG3 LYS 31 8.614 16.602 -0.150 298 HD2 LYS 31 HD2 LYS 31 10.512 14.738 -0.309 299 HD3 LYS 31 HD3 LYS 31 11.225 15.560 1.033 300 HE2 LYS 31 HE2 LYS 31 9.916 13.672 1.838 301 HE3 LYS 31 HE3 LYS 31 9.206 15.160 2.416 302 HZ1 LYS 31 HZ1 LYS 31 8.305 13.587 0.094 303 HZ2 LYS 31 HZ2 LYS 31 7.594 14.979 0.605 304 HZ3 LYS 31 HZ3 LYS 31 7.565 13.641 1.566 305 H GLY 32 HN GLY 32 7.472 15.955 -2.485 306 HA2 GLY 32 HA2 GLY 32 8.259 13.150 -2.316 307 HA3 GLY 32 HA1 GLY 32 6.645 13.831 -2.378 308 H LYS 33 HN LYS 33 7.201 15.426 -4.927 309 HA LYS 33 HA LYS 33 6.883 13.186 -6.820 310 HB2 LYS 33 HB2 LYS 33 6.116 14.909 -8.418 311 HB3 LYS 33 HB3 LYS 33 5.105 14.661 -7.044 312 HG2 LYS 33 HG2 LYS 33 5.298 16.761 -6.285 313 HG3 LYS 33 HG3 LYS 33 7.011 16.854 -6.566 314 HD2 LYS 33 HD2 LYS 33 5.059 17.023 -8.873 315 HD3 LYS 33 HD3 LYS 33 5.354 18.410 -7.866 316 HE2 LYS 33 HE2 LYS 33 7.857 18.160 -8.385 317 HE3 LYS 33 HE3 LYS 33 7.441 16.890 -9.525 318 HZ1 LYS 33 HZ1 LYS 33 6.066 18.502 -10.674 319 HZ2 LYS 33 HZ2 LYS 33 7.631 19.022 -10.575 320 HZ3 LYS 33 HZ3 LYS 33 6.479 19.666 -9.584 321 H ASP 34 HN ASP 34 9.337 15.739 -6.118 322 HA ASP 34 HA ASP 34 10.643 15.171 -8.678 323 HB2 ASP 34 HB2 ASP 34 12.266 16.785 -8.238 324 HB3 ASP 34 HB3 ASP 34 10.766 17.443 -7.733 325 H ILE 35 HN ILE 35 10.970 14.088 -5.291 326 HA ILE 35 HA ILE 35 13.316 12.413 -5.945 327 HB ILE 35 HB ILE 35 11.764 12.698 -3.331 328 HG12 ILE 35 HG12 ILE 35 14.406 14.021 -4.065 329 HG13 ILE 35 HG13 ILE 35 12.873 14.841 -4.014 330 HG21 ILE 35 HG21 ILE 35 12.960 10.561 -3.343 331 HG22 ILE 35 HG22 ILE 35 14.448 11.354 -3.855 332 HG23 ILE 35 HG23 ILE 35 13.773 11.649 -2.258 333 HD11 ILE 35 HD11 ILE 35 12.776 13.915 -1.493 334 HD12 ILE 35 HD12 ILE 35 14.529 13.931 -1.696 335 HD13 ILE 35 HD13 ILE 35 13.600 15.409 -1.917 336 H LYS 36 HN LYS 36 13.009 10.373 -6.696 337 HA LYS 36 HA LYS 36 10.509 8.882 -6.203 338 HB2 LYS 36 HB2 LYS 36 12.946 8.464 -7.977 339 HB3 LYS 36 HB3 LYS 36 12.102 7.076 -7.388 340 HG2 LYS 36 HG2 LYS 36 11.053 7.333 -9.365 341 HG3 LYS 36 HG3 LYS 36 9.909 8.023 -8.250 342 HD2 LYS 36 HD2 LYS 36 10.602 10.312 -8.896 343 HD3 LYS 36 HD3 LYS 36 11.833 9.659 -9.955 344 HE2 LYS 36 HE2 LYS 36 9.999 8.444 -11.255 345 HE3 LYS 36 HE3 LYS 36 8.803 9.238 -10.247 346 HZ1 LYS 36 HZ1 LYS 36 9.153 10.379 -12.294 347 HZ2 LYS 36 HZ2 LYS 36 10.759 10.577 -11.980 348 HZ3 LYS 36 HZ3 LYS 36 9.636 11.340 -11.042 349 H GLY 37 HN GLY 37 10.378 7.072 -4.946 350 HA2 GLY 37 HA2 GLY 37 12.461 6.669 -2.835 351 HA3 GLY 37 HA1 GLY 37 10.757 6.268 -2.754 352 H VAL 38 HN VAL 38 11.654 4.200 -2.023 353 HA VAL 38 HA VAL 38 11.732 2.222 -4.194 354 HB VAL 38 HB VAL 38 13.747 2.296 -1.873 355 HG11 VAL 38 HG11 VAL 38 13.213 -0.057 -2.210 356 HG12 VAL 38 HG12 VAL 38 13.367 0.110 -3.962 357 HG13 VAL 38 HG13 VAL 38 14.776 0.255 -2.923 358 HG21 VAL 38 HG21 VAL 38 15.533 2.349 -3.622 359 HG22 VAL 38 HG22 VAL 38 14.296 2.579 -4.853 360 HG23 VAL 38 HG23 VAL 38 14.560 3.799 -3.607 361 H SER 39 HN SER 39 10.876 0.166 -3.434 362 HA SER 39 HA SER 39 9.947 0.035 -0.617 363 HB2 SER 39 HB2 SER 39 8.250 -0.258 -3.152 364 HB3 SER 39 HB3 SER 39 7.861 -1.205 -1.732 365 HG SER 39 HG SER 39 7.627 0.624 -0.526 366 H GLU 40 HN GLU 40 9.888 -2.044 0.242 367 HA GLU 40 HA GLU 40 10.661 -4.266 -1.554 368 HB2 GLU 40 HB2 GLU 40 12.611 -3.551 -0.043 369 HB3 GLU 40 HB3 GLU 40 11.658 -4.043 1.320 370 HG2 GLU 40 HG2 GLU 40 11.498 -6.376 0.460 371 HG3 GLU 40 HG3 GLU 40 12.360 -5.913 -0.984 372 H ILE 41 HN ILE 41 9.439 -6.047 -1.364 373 HA ILE 41 HA ILE 41 7.187 -5.986 0.614 374 HB ILE 41 HB ILE 41 7.070 -6.885 -2.300 375 HG12 ILE 41 HG12 ILE 41 5.890 -4.333 -1.126 376 HG13 ILE 41 HG13 ILE 41 7.295 -4.363 -2.149 377 HG21 ILE 41 HG21 ILE 41 5.480 -8.074 -0.809 378 HG22 ILE 41 HG22 ILE 41 4.862 -6.520 -0.251 379 HG23 ILE 41 HG23 ILE 41 4.627 -7.020 -1.920 380 HD11 ILE 41 HD11 ILE 41 5.734 -3.891 -3.758 381 HD12 ILE 41 HD12 ILE 41 5.659 -5.646 -3.859 382 HD13 ILE 41 HD13 ILE 41 4.438 -4.759 -2.946 383 H VAL 42 HN VAL 42 7.050 -7.867 1.733 384 HA VAL 42 HA VAL 42 8.847 -10.133 0.945 385 HB VAL 42 HB VAL 42 8.669 -8.745 3.657 386 HG11 VAL 42 HG11 VAL 42 10.559 -10.189 4.334 387 HG12 VAL 42 HG12 VAL 42 9.188 -11.176 3.873 388 HG13 VAL 42 HG13 VAL 42 10.536 -10.990 2.765 389 HG21 VAL 42 HG21 VAL 42 9.917 -7.250 2.209 390 HG22 VAL 42 HG22 VAL 42 11.046 -8.051 3.278 391 HG23 VAL 42 HG23 VAL 42 10.907 -8.579 1.605 392 H GLN 43 HN GLN 43 7.293 -11.617 0.492 393 HA GLN 43 HA GLN 43 4.987 -12.103 2.217 394 HB2 GLN 43 HB2 GLN 43 4.862 -12.355 -0.228 395 HB3 GLN 43 HB3 GLN 43 6.162 -13.509 -0.214 396 HG2 GLN 43 HG2 GLN 43 4.633 -15.048 1.227 397 HG3 GLN 43 HG3 GLN 43 3.352 -13.901 0.933 398 HE21 GLN 43 HE21 GLN 43 5.570 -16.267 -0.539 399 HE22 GLN 43 HE22 GLN 43 4.668 -16.479 -2.017 400 H ASN 44 HN ASN 44 5.098 -13.280 4.050 401 HA ASN 44 HA ASN 44 7.383 -15.157 4.544 402 HB2 ASN 44 HB2 ASN 44 5.831 -13.386 6.497 403 HB3 ASN 44 HB3 ASN 44 7.118 -14.482 6.933 404 HD21 ASN 44 HD21 ASN 44 6.474 -11.279 6.502 405 HD22 ASN 44 HD22 ASN 44 8.071 -10.724 6.078 406 H GLY 45 HN GLY 45 5.425 -16.350 3.201 407 HA2 GLY 45 HA2 GLY 45 4.006 -18.163 3.306 408 HA3 GLY 45 HA1 GLY 45 4.201 -18.236 5.053 409 H LYS 46 HN LYS 46 2.353 -17.725 6.189 410 HA LYS 46 HA LYS 46 0.103 -16.391 4.950 411 HB2 LYS 46 HB2 LYS 46 0.480 -18.204 7.111 412 HB3 LYS 46 HB3 LYS 46 -0.068 -16.760 7.885 413 HG2 LYS 46 HG2 LYS 46 -1.455 -18.280 5.640 414 HG3 LYS 46 HG3 LYS 46 -1.927 -18.253 7.315 415 HD2 LYS 46 HD2 LYS 46 -2.420 -15.777 7.119 416 HD3 LYS 46 HD3 LYS 46 -2.042 -15.851 5.424 417 HE2 LYS 46 HE2 LYS 46 -4.297 -17.411 6.778 418 HE3 LYS 46 HE3 LYS 46 -4.493 -15.965 5.809 419 HZ1 LYS 46 HZ1 LYS 46 -3.435 -18.498 4.819 420 HZ2 LYS 46 HZ2 LYS 46 -3.613 -17.116 3.934 421 HZ3 LYS 46 HZ3 LYS 46 -4.940 -17.882 4.543 422 H HIS 47 HN HIS 47 2.735 -15.448 7.129 423 HA HIS 47 HA HIS 47 1.671 -12.792 7.687 424 HB2 HIS 47 HB2 HIS 47 3.994 -14.423 8.532 425 HB3 HIS 47 HB3 HIS 47 4.486 -12.811 8.124 426 HD1 HIS 47 HD1 HIS 47 2.611 -10.875 9.241 427 HD2 HIS 47 HD2 HIS 47 3.481 -14.461 11.289 428 HE1 HIS 47 HE1 HIS 47 2.132 -10.527 11.692 429 H PHE 48 HN PHE 48 2.817 -10.831 7.007 430 HA PHE 48 HA PHE 48 4.196 -10.887 4.418 431 HB2 PHE 48 HB2 PHE 48 1.592 -11.039 4.109 432 HB3 PHE 48 HB3 PHE 48 1.517 -9.461 4.817 433 HD1 PHE 48 HD1 PHE 48 2.224 -11.403 1.830 434 HD2 PHE 48 HD2 PHE 48 2.714 -7.490 3.590 435 HE1 PHE 48 HE1 PHE 48 2.535 -10.416 -0.397 436 HE2 PHE 48 HE2 PHE 48 3.026 -6.540 1.347 437 HZ PHE 48 HZ PHE 48 2.884 -7.996 -0.646 438 H LYS 49 HN LYS 49 5.491 -9.119 4.242 439 HA LYS 49 HA LYS 49 5.178 -6.849 6.130 440 HB2 LYS 49 HB2 LYS 49 7.500 -8.622 5.579 441 HB3 LYS 49 HB3 LYS 49 7.887 -6.947 5.331 442 HG2 LYS 49 HG2 LYS 49 7.113 -6.352 7.588 443 HG3 LYS 49 HG3 LYS 49 6.648 -8.008 7.896 444 HD2 LYS 49 HD2 LYS 49 8.965 -8.768 7.721 445 HD3 LYS 49 HD3 LYS 49 9.505 -7.204 7.161 446 HE2 LYS 49 HE2 LYS 49 8.935 -6.183 9.363 447 HE3 LYS 49 HE3 LYS 49 8.301 -7.713 9.934 448 HZ1 LYS 49 HZ1 LYS 49 10.514 -7.364 10.676 449 HZ2 LYS 49 HZ2 LYS 49 11.078 -7.234 9.130 450 HZ3 LYS 49 HZ3 LYS 49 10.463 -8.668 9.669 451 H PHE 50 HN PHE 50 5.455 -4.826 5.324 452 HA PHE 50 HA PHE 50 6.056 -4.475 2.434 453 HB2 PHE 50 HB2 PHE 50 3.487 -4.319 3.341 454 HB3 PHE 50 HB3 PHE 50 3.965 -2.706 3.754 455 HD1 PHE 50 HD1 PHE 50 2.026 -4.134 1.550 456 HD2 PHE 50 HD2 PHE 50 5.721 -1.894 1.422 457 HE1 PHE 50 HE1 PHE 50 1.534 -3.404 -0.743 458 HE2 PHE 50 HE2 PHE 50 5.193 -1.195 -0.864 459 HZ PHE 50 HZ PHE 50 3.115 -1.952 -1.953 460 H THR 51 HN THR 51 7.741 -3.175 2.279 461 HA THR 51 HA THR 51 8.520 -1.324 4.476 462 HB THR 51 HB THR 51 10.289 -2.651 2.363 463 HG1 THR 51 HG1 THR 51 9.469 -4.191 3.763 464 HG21 THR 51 HG21 THR 51 12.170 -2.024 3.870 465 HG22 THR 51 HG22 THR 51 11.047 -1.154 4.911 466 HG23 THR 51 HG23 THR 51 11.341 -0.603 3.264 467 H ILE 52 HN ILE 52 8.808 0.829 3.877 468 HA ILE 52 HA ILE 52 8.737 1.586 0.991 469 HB ILE 52 HB ILE 52 7.022 2.895 3.166 470 HG12 ILE 52 HG12 ILE 52 5.133 2.031 1.481 471 HG13 ILE 52 HG13 ILE 52 6.255 0.750 1.188 472 HG21 ILE 52 HG21 ILE 52 6.012 4.163 1.287 473 HG22 ILE 52 HG22 ILE 52 7.722 4.492 1.393 474 HG23 ILE 52 HG23 ILE 52 7.120 3.394 0.155 475 HD11 ILE 52 HD11 ILE 52 4.898 -0.063 2.985 476 HD12 ILE 52 HD12 ILE 52 6.255 0.574 3.901 477 HD13 ILE 52 HD13 ILE 52 4.786 1.518 3.748 478 H THR 53 HN THR 53 10.687 2.477 0.758 479 HA THR 53 HA THR 53 11.889 4.232 2.834 480 HB THR 53 HB THR 53 12.988 2.952 0.271 481 HG1 THR 53 HG1 THR 53 12.684 1.538 1.976 482 HG21 THR 53 HG21 THR 53 14.264 5.046 0.607 483 HG22 THR 53 HG22 THR 53 15.252 3.683 1.089 484 HG23 THR 53 HG23 THR 53 14.478 4.680 2.316 485 H ALA 54 HN ALA 54 11.379 6.389 2.599 486 HA ALA 54 HA ALA 54 11.631 7.710 0.032 487 HB1 ALA 54 HB1 ALA 54 9.262 8.592 0.020 488 HB2 ALA 54 HB2 ALA 54 9.309 6.856 -0.233 489 HB3 ALA 54 HB3 ALA 54 8.859 7.499 1.342 490 H GLY 55 HN GLY 55 11.800 9.947 0.202 491 HA2 GLY 55 HA2 GLY 55 12.227 11.973 1.218 492 HA3 GLY 55 HA1 GLY 55 11.549 11.397 2.736 493 H SER 56 HN SER 56 12.961 10.671 4.311 494 HA SER 56 HA SER 56 15.478 9.414 3.680 495 HB2 SER 56 HB2 SER 56 15.450 12.230 4.786 496 HB3 SER 56 HB3 SER 56 16.588 11.121 5.513 497 HG SER 56 HG SER 56 16.372 11.585 2.746 498 H LYS 57 HN LYS 57 13.006 8.534 4.624 499 HA LYS 57 HA LYS 57 13.861 7.226 7.109 500 HB2 LYS 57 HB2 LYS 57 11.633 7.567 8.120 501 HB3 LYS 57 HB3 LYS 57 12.494 9.062 7.972 502 HG2 LYS 57 HG2 LYS 57 11.122 9.879 6.225 503 HG3 LYS 57 HG3 LYS 57 10.518 8.319 5.772 504 HD2 LYS 57 HD2 LYS 57 9.857 9.595 8.460 505 HD3 LYS 57 HD3 LYS 57 8.908 9.872 7.022 506 HE2 LYS 57 HE2 LYS 57 8.529 7.375 6.827 507 HE3 LYS 57 HE3 LYS 57 9.381 7.133 8.337 508 HZ1 LYS 57 HZ1 LYS 57 7.041 7.223 8.660 509 HZ2 LYS 57 HZ2 LYS 57 6.939 8.721 7.980 510 HZ3 LYS 57 HZ3 LYS 57 7.738 8.513 9.407 511 H VAL 58 HN VAL 58 12.468 5.292 7.562 512 HA VAL 58 HA VAL 58 11.216 4.177 5.104 513 HB VAL 58 HB VAL 58 12.929 2.529 7.013 514 HG11 VAL 58 HG11 VAL 58 11.209 1.220 5.778 515 HG12 VAL 58 HG12 VAL 58 11.779 1.882 4.258 516 HG13 VAL 58 HG13 VAL 58 12.816 0.824 5.201 517 HG21 VAL 58 HG21 VAL 58 14.643 2.412 5.175 518 HG22 VAL 58 HG22 VAL 58 13.795 3.712 4.346 519 HG23 VAL 58 HG23 VAL 58 14.532 3.995 5.918 520 H ILE 59 HN ILE 59 9.252 3.379 5.453 521 HA ILE 59 HA ILE 59 8.228 2.973 8.220 522 HB ILE 59 HB ILE 59 6.708 2.916 5.557 523 HG12 ILE 59 HG12 ILE 59 5.697 5.128 6.630 524 HG13 ILE 59 HG13 ILE 59 7.215 5.214 7.464 525 HG21 ILE 59 HG21 ILE 59 5.530 1.617 7.291 526 HG22 ILE 59 HG22 ILE 59 5.674 2.952 8.429 527 HG23 ILE 59 HG23 ILE 59 4.669 3.103 6.993 528 HD11 ILE 59 HD11 ILE 59 7.049 4.919 4.406 529 HD12 ILE 59 HD12 ILE 59 6.973 6.484 5.200 530 HD13 ILE 59 HD13 ILE 59 8.419 5.506 5.342 531 H GLN 60 HN GLN 60 7.835 0.925 8.924 532 HA GLN 60 HA GLN 60 7.876 -1.368 7.015 533 HB2 GLN 60 HB2 GLN 60 9.039 -1.313 9.861 534 HB3 GLN 60 HB3 GLN 60 8.752 -2.723 8.907 535 HG2 GLN 60 HG2 GLN 60 10.996 -2.444 8.544 536 HG3 GLN 60 HG3 GLN 60 10.317 -1.760 7.096 537 HE21 GLN 60 HE21 GLN 60 9.992 0.374 9.873 538 HE22 GLN 60 HE22 GLN 60 11.373 1.376 9.511 539 H ASN 61 HN ASN 61 5.961 -2.325 6.994 540 HA ASN 61 HA ASN 61 4.304 -2.395 9.468 541 HB2 ASN 61 HB2 ASN 61 3.394 -2.099 6.542 542 HB3 ASN 61 HB3 ASN 61 2.329 -2.535 7.853 543 HD21 ASN 61 HD21 ASN 61 2.818 -0.938 9.953 544 HD22 ASN 61 HD22 ASN 61 2.612 0.736 9.518 545 H GLU 62 HN GLU 62 3.200 -4.314 9.819 546 HA GLU 62 HA GLU 62 3.727 -6.604 8.060 547 HB2 GLU 62 HB2 GLU 62 5.507 -6.635 9.785 548 HB3 GLU 62 HB3 GLU 62 4.320 -6.516 11.052 549 HG2 GLU 62 HG2 GLU 62 3.390 -8.768 10.396 550 HG3 GLU 62 HG3 GLU 62 4.568 -8.876 9.108 551 H PHE 63 HN PHE 63 2.085 -8.051 7.984 552 HA PHE 63 HA PHE 63 -0.109 -8.010 9.893 553 HB2 PHE 63 HB2 PHE 63 -1.846 -7.654 8.218 554 HB3 PHE 63 HB3 PHE 63 -0.840 -6.243 8.320 555 HD1 PHE 63 HD1 PHE 63 -1.869 -9.143 6.236 556 HD2 PHE 63 HD2 PHE 63 0.571 -5.585 6.373 557 HE1 PHE 63 HE1 PHE 63 -1.553 -9.245 3.800 558 HE2 PHE 63 HE2 PHE 63 0.835 -5.702 3.924 559 HZ PHE 63 HZ PHE 63 -0.234 -7.516 2.645 560 H THR 64 HN THR 64 -1.591 -9.802 9.533 561 HA THR 64 HA THR 64 -0.488 -12.067 7.916 562 HB THR 64 HB THR 64 -2.321 -12.092 10.376 563 HG1 THR 64 HG1 THR 64 -0.540 -13.268 11.235 564 HG21 THR 64 HG21 THR 64 -2.095 -14.588 10.285 565 HG22 THR 64 HG22 THR 64 -1.264 -14.456 8.738 566 HG23 THR 64 HG23 THR 64 -2.961 -13.994 8.886 567 H VAL 65 HN VAL 65 -1.811 -12.787 6.292 568 HA VAL 65 HA VAL 65 -3.884 -11.136 5.321 569 HB VAL 65 HB VAL 65 -3.198 -14.030 4.634 570 HG11 VAL 65 HG11 VAL 65 -4.902 -12.073 3.045 571 HG12 VAL 65 HG12 VAL 65 -4.296 -13.597 2.416 572 HG13 VAL 65 HG13 VAL 65 -5.454 -13.601 3.729 573 HG21 VAL 65 HG21 VAL 65 -1.280 -12.505 4.237 574 HG22 VAL 65 HG22 VAL 65 -1.939 -13.083 2.720 575 HG23 VAL 65 HG23 VAL 65 -2.308 -11.452 3.269 576 H GLY 66 HN GLY 66 -6.045 -11.099 5.614 577 HA2 GLY 66 HA2 GLY 66 -8.166 -11.747 6.103 578 HA3 GLY 66 HA1 GLY 66 -7.631 -13.356 6.542 579 H GLU 67 HN GLU 67 -5.648 -11.437 8.446 580 HA GLU 67 HA GLU 67 -7.541 -11.430 10.747 581 HB2 GLU 67 HB2 GLU 67 -4.496 -11.244 10.578 582 HB3 GLU 67 HB3 GLU 67 -5.396 -11.134 12.056 583 HG2 GLU 67 HG2 GLU 67 -5.311 -13.594 10.228 584 HG3 GLU 67 HG3 GLU 67 -4.435 -13.401 11.722 585 H GLU 68 HN GLU 68 -8.169 -9.595 11.729 586 HA GLU 68 HA GLU 68 -7.635 -7.056 10.486 587 HB2 GLU 68 HB2 GLU 68 -9.165 -6.129 12.074 588 HB3 GLU 68 HB3 GLU 68 -9.843 -7.571 11.393 589 HG2 GLU 68 HG2 GLU 68 -9.312 -8.852 13.478 590 HG3 GLU 68 HG3 GLU 68 -8.585 -7.426 14.186 591 H CYS 69 HN CYS 69 -6.354 -5.425 11.097 592 HA CYS 69 HA CYS 69 -4.768 -5.339 13.492 593 HB2 CYS 69 HB2 CYS 69 -2.572 -5.787 12.384 594 HB3 CYS 69 HB3 CYS 69 -3.568 -7.220 12.385 595 HG CYS 69 HG CYS 69 -4.427 -7.061 9.984 596 H GLU 70 HN GLU 70 -3.207 -3.531 13.416 597 HA GLU 70 HA GLU 70 -4.393 -1.320 11.859 598 HB2 GLU 70 HB2 GLU 70 -4.505 -1.352 14.339 599 HB3 GLU 70 HB3 GLU 70 -2.769 -1.273 14.414 600 HG2 GLU 70 HG2 GLU 70 -2.713 0.954 13.444 601 HG3 GLU 70 HG3 GLU 70 -4.370 0.845 12.913 602 H LEU 71 HN LEU 71 -3.394 -0.381 10.301 603 HA LEU 71 HA LEU 71 -0.537 -0.940 9.670 604 HB2 LEU 71 HB2 LEU 71 -3.082 -0.341 8.077 605 HB3 LEU 71 HB3 LEU 71 -1.539 -0.037 7.359 606 HG LEU 71 HG LEU 71 -2.390 -2.127 6.639 607 HD11 LEU 71 HD11 LEU 71 0.214 -1.701 7.433 608 HD12 LEU 71 HD12 LEU 71 -0.338 -3.027 6.427 609 HD13 LEU 71 HD13 LEU 71 -0.116 -3.270 8.155 610 HD21 LEU 71 HD21 LEU 71 -3.494 -2.654 9.060 611 HD22 LEU 71 HD22 LEU 71 -2.080 -3.684 9.164 612 HD23 LEU 71 HD23 LEU 71 -3.214 -3.868 7.832 613 H GLU 72 HN GLU 72 0.505 0.890 8.380 614 HA GLU 72 HA GLU 72 -0.247 3.583 9.363 615 HB2 GLU 72 HB2 GLU 72 1.559 2.595 10.801 616 HB3 GLU 72 HB3 GLU 72 2.550 2.377 9.385 617 HG2 GLU 72 HG2 GLU 72 2.733 4.772 9.013 618 HG3 GLU 72 HG3 GLU 72 1.609 5.123 10.314 619 H THR 73 HN THR 73 0.562 5.321 8.068 620 HA THR 73 HA THR 73 1.405 4.685 5.272 621 HB THR 73 HB THR 73 0.102 6.735 4.608 622 HG1 THR 73 HG1 THR 73 -0.033 7.805 6.572 623 HG21 THR 73 HG21 THR 73 -1.712 4.676 5.957 624 HG22 THR 73 HG22 THR 73 -1.010 4.514 4.348 625 HG23 THR 73 HG23 THR 73 -2.162 5.800 4.680 626 H MET 74 HN MET 74 2.375 6.793 4.269 627 HA MET 74 HA MET 74 4.704 7.429 5.669 628 HB2 MET 74 HB2 MET 74 3.460 8.840 3.273 629 HB3 MET 74 HB3 MET 74 5.102 9.052 3.798 630 HG2 MET 74 HG2 MET 74 5.449 7.474 2.154 631 HG3 MET 74 HG3 MET 74 5.287 6.422 3.524 632 HE1 MET 74 HE1 MET 74 2.817 8.289 0.992 633 HE2 MET 74 HE2 MET 74 4.045 7.431 0.050 634 HE3 MET 74 HE3 MET 74 2.359 6.901 -0.000 635 H THR 75 HN THR 75 1.640 9.030 5.964 636 HA THR 75 HA THR 75 2.610 11.513 7.122 637 HB THR 75 HB THR 75 0.223 11.864 7.636 638 HG1 THR 75 HG1 THR 75 -1.280 10.238 7.001 639 HG21 THR 75 HG21 THR 75 0.943 12.300 5.280 640 HG22 THR 75 HG22 THR 75 -0.757 11.848 5.410 641 HG23 THR 75 HG23 THR 75 0.422 10.681 4.825 642 H GLY 76 HN GLY 76 2.249 8.266 8.314 643 HA2 GLY 76 HA2 GLY 76 2.804 7.477 10.410 644 HA3 GLY 76 HA1 GLY 76 2.686 9.073 11.118 645 H GLU 77 HN GLU 77 -0.138 8.729 9.267 646 HA GLU 77 HA GLU 77 -1.864 8.386 11.496 647 HB2 GLU 77 HB2 GLU 77 -2.246 8.420 8.470 648 HB3 GLU 77 HB3 GLU 77 -3.594 8.092 9.502 649 HG2 GLU 77 HG2 GLU 77 -1.902 10.641 9.679 650 HG3 GLU 77 HG3 GLU 77 -3.419 10.505 8.822 651 H LYS 78 HN LYS 78 -2.990 6.740 12.297 652 HA LYS 78 HA LYS 78 -2.318 4.001 11.396 653 HB2 LYS 78 HB2 LYS 78 -3.340 5.118 14.052 654 HB3 LYS 78 HB3 LYS 78 -3.103 3.430 13.725 655 HG2 LYS 78 HG2 LYS 78 -0.903 5.527 13.805 656 HG3 LYS 78 HG3 LYS 78 -1.259 4.323 15.010 657 HD2 LYS 78 HD2 LYS 78 -0.861 2.605 12.975 658 HD3 LYS 78 HD3 LYS 78 0.005 3.949 12.285 659 HE2 LYS 78 HE2 LYS 78 0.580 2.683 15.008 660 HE3 LYS 78 HE3 LYS 78 1.531 2.444 13.555 661 HZ1 LYS 78 HZ1 LYS 78 2.144 4.689 13.565 662 HZ2 LYS 78 HZ2 LYS 78 2.441 4.084 15.063 663 HZ3 LYS 78 HZ3 LYS 78 1.129 5.062 14.823 664 H VAL 79 HN VAL 79 -3.897 2.487 10.980 665 HA VAL 79 HA VAL 79 -6.733 3.062 11.332 666 HB VAL 79 HB VAL 79 -7.050 2.412 8.792 667 HG11 VAL 79 HG11 VAL 79 -6.294 5.286 9.410 668 HG12 VAL 79 HG12 VAL 79 -7.330 4.703 8.121 669 HG13 VAL 79 HG13 VAL 79 -7.846 4.541 9.793 670 HG21 VAL 79 HG21 VAL 79 -5.398 3.331 7.222 671 HG22 VAL 79 HG22 VAL 79 -4.320 3.758 8.532 672 HG23 VAL 79 HG23 VAL 79 -4.651 2.066 8.189 673 H LYS 80 HN LYS 80 -7.677 1.258 11.972 674 HA LYS 80 HA LYS 80 -6.571 -1.381 11.602 675 HB2 LYS 80 HB2 LYS 80 -9.074 -0.255 12.873 676 HB3 LYS 80 HB3 LYS 80 -8.979 -1.959 12.523 677 HG2 LYS 80 HG2 LYS 80 -6.996 -2.283 13.872 678 HG3 LYS 80 HG3 LYS 80 -6.817 -0.575 14.126 679 HD2 LYS 80 HD2 LYS 80 -7.741 -1.645 16.127 680 HD3 LYS 80 HD3 LYS 80 -8.831 -0.457 15.490 681 HE2 LYS 80 HE2 LYS 80 -10.100 -2.421 16.218 682 HE3 LYS 80 HE3 LYS 80 -10.255 -2.272 14.484 683 HZ1 LYS 80 HZ1 LYS 80 -8.442 -4.094 15.907 684 HZ2 LYS 80 HZ2 LYS 80 -8.526 -3.940 14.270 685 HZ3 LYS 80 HZ3 LYS 80 -9.819 -4.516 15.104 686 H THR 81 HN THR 81 -7.117 -2.964 10.205 687 HA THR 81 HA THR 81 -9.288 -2.823 8.307 688 HB THR 81 HB THR 81 -7.643 -1.103 7.403 689 HG1 THR 81 HG1 THR 81 -8.917 -2.148 5.939 690 HG21 THR 81 HG21 THR 81 -5.527 -1.853 6.348 691 HG22 THR 81 HG22 THR 81 -5.696 -3.444 7.042 692 HG23 THR 81 HG23 THR 81 -5.475 -2.045 8.092 693 H VAL 82 HN VAL 82 -8.936 -4.606 6.584 694 HA VAL 82 HA VAL 82 -7.280 -6.889 7.560 695 HB VAL 82 HB VAL 82 -10.058 -7.089 6.273 696 HG11 VAL 82 HG11 VAL 82 -8.157 -9.237 7.314 697 HG12 VAL 82 HG12 VAL 82 -9.839 -9.544 6.895 698 HG13 VAL 82 HG13 VAL 82 -8.712 -9.043 5.654 699 HG21 VAL 82 HG21 VAL 82 -10.914 -7.964 8.394 700 HG22 VAL 82 HG22 VAL 82 -9.355 -7.708 9.156 701 HG23 VAL 82 HG23 VAL 82 -10.323 -6.331 8.631 702 H VAL 83 HN VAL 83 -5.965 -7.647 5.959 703 HA VAL 83 HA VAL 83 -6.371 -6.709 3.159 704 HB VAL 83 HB VAL 83 -3.969 -8.069 4.458 705 HG11 VAL 83 HG11 VAL 83 -4.346 -6.975 1.632 706 HG12 VAL 83 HG12 VAL 83 -2.766 -7.288 2.320 707 HG13 VAL 83 HG13 VAL 83 -3.887 -8.611 2.102 708 HG21 VAL 83 HG21 VAL 83 -4.184 -5.789 5.362 709 HG22 VAL 83 HG22 VAL 83 -2.810 -5.884 4.284 710 HG23 VAL 83 HG23 VAL 83 -4.293 -5.123 3.736 711 H GLN 84 HN GLN 84 -6.712 -8.125 1.526 712 HA GLN 84 HA GLN 84 -6.561 -11.033 1.980 713 HB2 GLN 84 HB2 GLN 84 -8.953 -9.410 1.033 714 HB3 GLN 84 HB3 GLN 84 -8.722 -10.976 0.340 715 HG2 GLN 84 HG2 GLN 84 -9.012 -10.451 3.330 716 HG3 GLN 84 HG3 GLN 84 -10.273 -11.033 2.270 717 HE21 GLN 84 HE21 GLN 84 -9.696 -12.498 4.506 718 HE22 GLN 84 HE22 GLN 84 -8.908 -13.989 4.062 719 H LEU 85 HN LEU 85 -6.693 -12.241 -0.108 720 HA LEU 85 HA LEU 85 -5.394 -10.786 -2.352 721 HB2 LEU 85 HB2 LEU 85 -3.956 -12.406 -0.870 722 HB3 LEU 85 HB3 LEU 85 -4.797 -13.705 -1.635 723 HG LEU 85 HG LEU 85 -3.289 -11.517 -3.164 724 HD11 LEU 85 HD11 LEU 85 -2.161 -13.676 -1.557 725 HD12 LEU 85 HD12 LEU 85 -1.380 -12.337 -2.363 726 HD13 LEU 85 HD13 LEU 85 -1.672 -13.840 -3.228 727 HD21 LEU 85 HD21 LEU 85 -4.480 -12.501 -4.877 728 HD22 LEU 85 HD22 LEU 85 -4.632 -14.049 -4.042 729 HD23 LEU 85 HD23 LEU 85 -3.139 -13.622 -4.855 730 H GLU 86 HN GLU 86 -6.593 -10.945 -4.194 731 HA GLU 86 HA GLU 86 -9.081 -12.465 -4.100 732 HB2 GLU 86 HB2 GLU 86 -9.755 -11.125 -5.972 733 HB3 GLU 86 HB3 GLU 86 -9.125 -10.126 -4.706 734 HG2 GLU 86 HG2 GLU 86 -6.988 -9.823 -5.929 735 HG3 GLU 86 HG3 GLU 86 -7.519 -10.894 -7.207 736 H GLY 87 HN GLY 87 -6.386 -13.872 -4.605 737 HA2 GLY 87 HA2 GLY 87 -5.855 -15.861 -5.569 738 HA3 GLY 87 HA1 GLY 87 -7.468 -15.941 -6.250 739 H ASP 88 HN ASP 88 -5.552 -13.100 -7.110 740 HA ASP 88 HA ASP 88 -4.657 -14.248 -9.680 741 HB2 ASP 88 HB2 ASP 88 -7.060 -13.438 -9.956 742 HB3 ASP 88 HB3 ASP 88 -6.524 -11.843 -9.465 743 H ASN 89 HN ASN 89 -2.948 -13.765 -7.698 744 HA ASN 89 HA ASN 89 -1.307 -12.642 -6.885 745 HB2 ASN 89 HB2 ASN 89 0.364 -11.669 -8.750 746 HB3 ASN 89 HB3 ASN 89 0.038 -13.334 -8.509 747 HD21 ASN 89 HD21 ASN 89 -0.404 -10.711 -10.807 748 HD22 ASN 89 HD22 ASN 89 -1.009 -11.726 -12.094 749 H LYS 90 HN LYS 90 -3.513 -11.143 -6.457 750 HA LYS 90 HA LYS 90 -2.619 -8.321 -6.534 751 HB2 LYS 90 HB2 LYS 90 -5.249 -9.579 -7.443 752 HB3 LYS 90 HB3 LYS 90 -5.206 -7.926 -6.898 753 HG2 LYS 90 HG2 LYS 90 -3.723 -7.238 -8.655 754 HG3 LYS 90 HG3 LYS 90 -3.463 -8.870 -9.197 755 HD2 LYS 90 HD2 LYS 90 -5.940 -9.032 -9.746 756 HD3 LYS 90 HD3 LYS 90 -6.148 -7.394 -9.201 757 HE2 LYS 90 HE2 LYS 90 -6.013 -7.318 -11.608 758 HE3 LYS 90 HE3 LYS 90 -4.523 -6.620 -11.004 759 HZ1 LYS 90 HZ1 LYS 90 -3.481 -8.766 -11.370 760 HZ2 LYS 90 HZ2 LYS 90 -4.125 -8.156 -12.763 761 HZ3 LYS 90 HZ3 LYS 90 -4.894 -9.377 -11.957 762 H LEU 91 HN LEU 91 -2.573 -7.524 -4.532 763 HA LEU 91 HA LEU 91 -4.192 -8.733 -2.368 764 HB2 LEU 91 HB2 LEU 91 -1.909 -6.727 -2.405 765 HB3 LEU 91 HB3 LEU 91 -2.825 -7.051 -0.965 766 HG LEU 91 HG LEU 91 -1.345 -9.206 -2.519 767 HD11 LEU 91 HD11 LEU 91 -0.084 -8.567 0.019 768 HD12 LEU 91 HD12 LEU 91 -0.153 -7.127 -0.973 769 HD13 LEU 91 HD13 LEU 91 0.597 -8.584 -1.602 770 HD21 LEU 91 HD21 LEU 91 -2.917 -10.360 -1.212 771 HD22 LEU 91 HD22 LEU 91 -2.858 -9.211 0.107 772 HD23 LEU 91 HD23 LEU 91 -1.533 -10.343 -0.139 773 H VAL 92 HN VAL 92 -5.789 -7.650 -1.329 774 HA VAL 92 HA VAL 92 -6.704 -5.009 -2.383 775 HB VAL 92 HB VAL 92 -8.371 -7.503 -1.757 776 HG11 VAL 92 HG11 VAL 92 -10.319 -6.189 -2.662 777 HG12 VAL 92 HG12 VAL 92 -9.719 -5.548 -1.152 778 HG13 VAL 92 HG13 VAL 92 -9.310 -4.747 -2.669 779 HG21 VAL 92 HG21 VAL 92 -7.795 -6.221 -4.461 780 HG22 VAL 92 HG22 VAL 92 -7.293 -7.822 -3.928 781 HG23 VAL 92 HG23 VAL 92 -8.989 -7.483 -4.180 782 H THR 93 HN THR 93 -7.415 -3.606 -0.794 783 HA THR 93 HA THR 93 -8.359 -4.544 1.749 784 HB THR 93 HB THR 93 -5.961 -4.709 2.254 785 HG1 THR 93 HG1 THR 93 -5.932 -3.187 3.997 786 HG21 THR 93 HG21 THR 93 -5.650 -1.713 1.758 787 HG22 THR 93 HG22 THR 93 -5.011 -2.970 0.683 788 HG23 THR 93 HG23 THR 93 -4.424 -2.829 2.331 789 H THR 94 HN THR 94 -9.552 -3.026 2.842 790 HA THR 94 HA THR 94 -9.684 -0.243 1.809 791 HB THR 94 HB THR 94 -12.176 -0.337 2.381 792 HG1 THR 94 HG1 THR 94 -12.130 -2.292 3.519 793 HG21 THR 94 HG21 THR 94 -11.279 -2.034 0.004 794 HG22 THR 94 HG22 THR 94 -11.613 -0.302 0.015 795 HG23 THR 94 HG23 THR 94 -12.918 -1.440 0.255 796 H PHE 95 HN PHE 95 -9.037 1.003 3.451 797 HA PHE 95 HA PHE 95 -8.931 0.150 6.195 798 HB2 PHE 95 HB2 PHE 95 -8.611 2.952 5.019 799 HB3 PHE 95 HB3 PHE 95 -8.140 2.447 6.614 800 HD1 PHE 95 HD1 PHE 95 -7.173 2.585 3.108 801 HD2 PHE 95 HD2 PHE 95 -6.257 0.674 6.859 802 HE1 PHE 95 HE1 PHE 95 -4.972 1.929 2.247 803 HE2 PHE 95 HE2 PHE 95 -4.058 0.027 5.959 804 HZ PHE 95 HZ PHE 95 -3.412 0.659 3.670 805 H LYS 96 HN LYS 96 -10.861 2.553 4.451 806 HA LYS 96 HA LYS 96 -13.303 1.739 5.703 807 HB2 LYS 96 HB2 LYS 96 -12.324 4.630 6.110 808 HB3 LYS 96 HB3 LYS 96 -14.000 4.151 6.177 809 HG2 LYS 96 HG2 LYS 96 -13.442 2.555 8.060 810 HG3 LYS 96 HG3 LYS 96 -11.839 3.255 8.092 811 HD2 LYS 96 HD2 LYS 96 -12.836 5.528 8.489 812 HD3 LYS 96 HD3 LYS 96 -14.429 4.831 8.459 813 HE2 LYS 96 HE2 LYS 96 -13.785 5.146 10.780 814 HE3 LYS 96 HE3 LYS 96 -13.857 3.422 10.473 815 HZ1 LYS 96 HZ1 LYS 96 -11.908 4.034 11.684 816 HZ2 LYS 96 HZ2 LYS 96 -11.419 5.065 10.494 817 HZ3 LYS 96 HZ3 LYS 96 -11.472 3.441 10.208 818 H ASN 97 HN ASN 97 -13.084 4.890 4.318 819 HA ASN 97 HA ASN 97 -14.238 4.153 1.805 820 HB2 ASN 97 HB2 ASN 97 -14.169 6.666 1.437 821 HB3 ASN 97 HB3 ASN 97 -15.042 6.133 2.840 822 HD21 ASN 97 HD21 ASN 97 -12.837 8.432 1.811 823 HD22 ASN 97 HD22 ASN 97 -12.198 8.887 3.368 824 H ILE 98 HN ILE 98 -10.955 4.576 2.950 825 HA ILE 98 HA ILE 98 -9.782 5.173 0.336 826 HB ILE 98 HB ILE 98 -8.506 4.336 2.968 827 HG12 ILE 98 HG12 ILE 98 -8.511 7.094 1.746 828 HG13 ILE 98 HG13 ILE 98 -9.673 6.611 2.946 829 HG21 ILE 98 HG21 ILE 98 -7.143 5.411 0.435 830 HG22 ILE 98 HG22 ILE 98 -6.334 5.114 1.967 831 HG23 ILE 98 HG23 ILE 98 -6.964 3.775 1.048 832 HD11 ILE 98 HD11 ILE 98 -7.479 5.950 4.363 833 HD12 ILE 98 HD12 ILE 98 -6.732 7.135 3.292 834 HD13 ILE 98 HD13 ILE 98 -8.083 7.601 4.314 835 H LYS 99 HN LYS 99 -10.115 3.570 -1.115 836 HA LYS 99 HA LYS 99 -9.707 0.726 -0.443 837 HB2 LYS 99 HB2 LYS 99 -11.663 1.452 -1.760 838 HB3 LYS 99 HB3 LYS 99 -10.643 2.169 -2.971 839 HG2 LYS 99 HG2 LYS 99 -9.754 -0.017 -3.632 840 HG3 LYS 99 HG3 LYS 99 -10.545 -0.816 -2.304 841 HD2 LYS 99 HD2 LYS 99 -12.013 0.625 -4.566 842 HD3 LYS 99 HD3 LYS 99 -11.646 -1.078 -4.579 843 HE2 LYS 99 HE2 LYS 99 -13.032 -1.385 -2.483 844 HE3 LYS 99 HE3 LYS 99 -13.449 0.319 -2.517 845 HZ1 LYS 99 HZ1 LYS 99 -14.443 -0.012 -4.657 846 HZ2 LYS 99 HZ2 LYS 99 -15.121 -1.000 -3.524 847 HZ3 LYS 99 HZ3 LYS 99 -14.062 -1.616 -4.627 848 H SER 100 HN SER 100 -8.112 -0.533 -1.352 849 HA SER 100 HA SER 100 -5.893 0.746 -2.861 850 HB2 SER 100 HB2 SER 100 -5.662 -0.973 -0.336 851 HB3 SER 100 HB3 SER 100 -4.314 -0.447 -1.321 852 HG SER 100 HG SER 100 -6.105 1.199 0.121 853 H VAL 101 HN VAL 101 -5.398 -0.479 -4.577 854 HA VAL 101 HA VAL 101 -6.058 -3.391 -4.629 855 HB VAL 101 HB VAL 101 -6.564 -1.344 -6.847 856 HG11 VAL 101 HG11 VAL 101 -6.996 -4.370 -6.862 857 HG12 VAL 101 HG12 VAL 101 -7.578 -3.265 -8.100 858 HG13 VAL 101 HG13 VAL 101 -5.859 -3.481 -7.869 859 HG21 VAL 101 HG21 VAL 101 -8.572 -2.894 -5.164 860 HG22 VAL 101 HG22 VAL 101 -8.342 -1.148 -5.196 861 HG23 VAL 101 HG23 VAL 101 -8.970 -1.969 -6.608 862 H THR 102 HN THR 102 -4.023 -4.096 -4.381 863 HA THR 102 HA THR 102 -1.771 -2.985 -5.961 864 HB THR 102 HB THR 102 -1.856 -5.063 -3.732 865 HG1 THR 102 HG1 THR 102 -2.402 -3.047 -2.998 866 HG21 THR 102 HG21 THR 102 0.245 -5.417 -4.984 867 HG22 THR 102 HG22 THR 102 0.628 -4.567 -3.504 868 HG23 THR 102 HG23 THR 102 0.559 -3.680 -5.023 869 H GLU 103 HN GLU 103 -0.490 -4.352 -7.232 870 HA GLU 103 HA GLU 103 -1.476 -7.022 -8.044 871 HB2 GLU 103 HB2 GLU 103 -2.492 -5.366 -9.576 872 HB3 GLU 103 HB3 GLU 103 -0.974 -4.553 -9.758 873 HG2 GLU 103 HG2 GLU 103 -0.079 -6.744 -10.872 874 HG3 GLU 103 HG3 GLU 103 -1.737 -7.290 -10.874 875 H LEU 104 HN LEU 104 0.146 -8.400 -8.437 876 HA LEU 104 HA LEU 104 2.931 -7.423 -8.869 877 HB2 LEU 104 HB2 LEU 104 2.820 -8.848 -6.883 878 HB3 LEU 104 HB3 LEU 104 1.793 -9.988 -7.695 879 HG LEU 104 HG LEU 104 3.726 -10.564 -9.263 880 HD11 LEU 104 HD11 LEU 104 5.241 -8.733 -9.146 881 HD12 LEU 104 HD12 LEU 104 6.044 -9.998 -8.237 882 HD13 LEU 104 HD13 LEU 104 5.225 -8.710 -7.382 883 HD21 LEU 104 HD21 LEU 104 3.513 -12.280 -7.836 884 HD22 LEU 104 HD22 LEU 104 3.468 -11.272 -6.396 885 HD23 LEU 104 HD23 LEU 104 5.004 -11.669 -7.153 886 H ASN 105 HN ASN 105 3.758 -7.854 -10.844 887 HA ASN 105 HA ASN 105 2.748 -10.070 -12.434 888 HB2 ASN 105 HB2 ASN 105 2.475 -7.159 -13.253 889 HB3 ASN 105 HB3 ASN 105 3.118 -8.218 -14.473 890 HD21 ASN 105 HD21 ASN 105 0.173 -7.504 -12.698 891 HD22 ASN 105 HD22 ASN 105 -0.830 -8.588 -13.627 892 H GLY 106 HN GLY 106 4.665 -10.875 -11.426 893 HA2 GLY 106 HA2 GLY 106 6.765 -11.700 -11.593 894 HA3 GLY 106 HA1 GLY 106 6.901 -10.943 -13.170 895 H ASP 107 HN ASP 107 7.996 -8.983 -13.378 896 HA ASP 107 HA ASP 107 9.589 -8.045 -11.105 897 HB2 ASP 107 HB2 ASP 107 10.721 -6.595 -12.910 898 HB3 ASP 107 HB3 ASP 107 10.996 -8.283 -12.961 899 H ILE 108 HN ILE 108 6.559 -7.122 -12.532 900 HA ILE 108 HA ILE 108 6.959 -4.249 -11.830 901 HB ILE 108 HB ILE 108 4.750 -5.659 -13.384 902 HG12 ILE 108 HG12 ILE 108 6.748 -5.767 -14.697 903 HG13 ILE 108 HG13 ILE 108 5.674 -4.611 -15.404 904 HG21 ILE 108 HG21 ILE 108 5.137 -2.667 -12.907 905 HG22 ILE 108 HG22 ILE 108 4.071 -3.345 -14.132 906 HG23 ILE 108 HG23 ILE 108 3.753 -3.648 -12.444 907 HD11 ILE 108 HD11 ILE 108 8.253 -4.081 -13.875 908 HD12 ILE 108 HD12 ILE 108 7.852 -3.609 -15.518 909 HD13 ILE 108 HD13 ILE 108 7.107 -2.774 -14.159 910 H ILE 109 HN ILE 109 5.810 -3.227 -10.291 911 HA ILE 109 HA ILE 109 3.571 -4.629 -8.919 912 HB ILE 109 HB ILE 109 5.586 -2.678 -7.739 913 HG12 ILE 109 HG12 ILE 109 6.459 -4.914 -7.826 914 HG13 ILE 109 HG13 ILE 109 6.243 -4.377 -6.193 915 HG21 ILE 109 HG21 ILE 109 3.458 -2.021 -6.748 916 HG22 ILE 109 HG22 ILE 109 3.013 -3.693 -6.444 917 HG23 ILE 109 HG23 ILE 109 4.336 -2.943 -5.553 918 HD11 ILE 109 HD11 ILE 109 5.492 -6.641 -6.188 919 HD12 ILE 109 HD12 ILE 109 3.976 -5.759 -6.258 920 HD13 ILE 109 HD13 ILE 109 4.651 -6.465 -7.722 921 H THR 110 HN THR 110 1.805 -3.741 -9.856 922 HA THR 110 HA THR 110 1.650 -0.781 -10.221 923 HB THR 110 HB THR 110 -0.305 -2.961 -11.098 924 HG1 THR 110 HG1 THR 110 1.454 -3.057 -12.358 925 HG21 THR 110 HG21 THR 110 -0.311 0.043 -11.688 926 HG22 THR 110 HG22 THR 110 -1.531 -0.821 -10.755 927 HG23 THR 110 HG23 THR 110 -1.352 -1.145 -12.468 928 H ASN 111 HN ASN 111 0.309 0.403 -8.835 929 HA ASN 111 HA ASN 111 -1.263 -1.011 -6.777 930 HB2 ASN 111 HB2 ASN 111 1.016 -0.997 -5.880 931 HB3 ASN 111 HB3 ASN 111 1.218 0.689 -6.270 932 HD21 ASN 111 HD21 ASN 111 -1.671 -0.810 -4.640 933 HD22 ASN 111 HD22 ASN 111 -1.437 0.057 -3.148 934 H THR 112 HN THR 112 -3.113 -0.184 -7.574 935 HA THR 112 HA THR 112 -3.533 2.707 -7.857 936 HB THR 112 HB THR 112 -5.406 0.302 -8.094 937 HG1 THR 112 HG1 THR 112 -3.871 0.473 -9.712 938 HG21 THR 112 HG21 THR 112 -6.979 1.901 -9.263 939 HG22 THR 112 HG22 THR 112 -5.981 3.249 -8.733 940 HG23 THR 112 HG23 THR 112 -6.840 2.259 -7.555 941 H MET 113 HN MET 113 -4.748 3.948 -6.464 942 HA MET 113 HA MET 113 -6.048 2.730 -4.104 943 HB2 MET 113 HB2 MET 113 -4.349 5.280 -4.095 944 HB3 MET 113 HB3 MET 113 -5.382 4.764 -2.796 945 HG2 MET 113 HG2 MET 113 -3.996 2.780 -2.376 946 HG3 MET 113 HG3 MET 113 -3.012 3.112 -3.780 947 HE1 MET 113 HE1 MET 113 -2.932 5.641 0.106 948 HE2 MET 113 HE2 MET 113 -4.290 5.785 -1.015 949 HE3 MET 113 HE3 MET 113 -3.996 4.255 -0.170 950 H THR 114 HN THR 114 -7.930 3.908 -3.441 951 HA THR 114 HA THR 114 -8.771 6.218 -5.075 952 HB THR 114 HB THR 114 -10.476 3.699 -4.729 953 HG1 THR 114 HG1 THR 114 -8.975 3.705 -6.437 954 HG21 THR 114 HG21 THR 114 -11.273 6.419 -5.903 955 HG22 THR 114 HG22 THR 114 -11.997 5.657 -4.492 956 HG23 THR 114 HG23 THR 114 -12.212 4.942 -6.077 957 H LEU 115 HN LEU 115 -9.093 7.741 -3.633 958 HA LEU 115 HA LEU 115 -10.502 7.173 -1.067 959 HB2 LEU 115 HB2 LEU 115 -8.209 7.610 -0.466 960 HB3 LEU 115 HB3 LEU 115 -8.038 8.839 -1.680 961 HG LEU 115 HG LEU 115 -9.397 10.425 -0.473 962 HD11 LEU 115 HD11 LEU 115 -9.735 9.300 2.141 963 HD12 LEU 115 HD12 LEU 115 -10.475 8.185 1.008 964 HD13 LEU 115 HD13 LEU 115 -10.964 9.871 1.028 965 HD21 LEU 115 HD21 LEU 115 -6.991 10.298 0.004 966 HD22 LEU 115 HD22 LEU 115 -7.317 9.269 1.398 967 HD23 LEU 115 HD23 LEU 115 -7.933 10.921 1.349 968 H GLY 116 HN GLY 116 -12.391 8.203 -1.035 969 HA2 GLY 116 HA2 GLY 116 -14.011 9.778 -1.253 970 HA3 GLY 116 HA1 GLY 116 -12.738 10.967 -1.458 971 H ASP 117 HN ASP 117 -12.301 11.758 -3.481 972 HA ASP 117 HA ASP 117 -13.858 10.799 -5.822 973 HB2 ASP 117 HB2 ASP 117 -13.699 13.340 -6.517 974 HB3 ASP 117 HB3 ASP 117 -14.886 12.813 -5.400 975 H ILE 118 HN ILE 118 -10.755 10.708 -4.685 976 HA ILE 118 HA ILE 118 -9.474 11.425 -7.289 977 HB ILE 118 HB ILE 118 -8.078 11.108 -4.584 978 HG12 ILE 118 HG12 ILE 118 -8.004 13.768 -4.812 979 HG13 ILE 118 HG13 ILE 118 -9.513 13.554 -5.636 980 HG21 ILE 118 HG21 ILE 118 -7.247 12.468 -7.193 981 HG22 ILE 118 HG22 ILE 118 -6.325 12.504 -5.705 982 HG23 ILE 118 HG23 ILE 118 -6.564 10.988 -6.526 983 HD11 ILE 118 HD11 ILE 118 -8.888 12.497 -2.807 984 HD12 ILE 118 HD12 ILE 118 -9.737 14.003 -3.161 985 HD13 ILE 118 HD13 ILE 118 -10.473 12.476 -3.568 986 H VAL 119 HN VAL 119 -8.261 9.901 -8.340 987 HA VAL 119 HA VAL 119 -7.908 7.200 -7.104 988 HB VAL 119 HB VAL 119 -8.360 7.919 -10.034 989 HG11 VAL 119 HG11 VAL 119 -6.845 5.958 -9.919 990 HG12 VAL 119 HG12 VAL 119 -7.909 5.178 -8.755 991 HG13 VAL 119 HG13 VAL 119 -8.441 5.437 -10.412 992 HG21 VAL 119 HG21 VAL 119 -10.480 8.050 -8.795 993 HG22 VAL 119 HG22 VAL 119 -10.474 6.625 -9.817 994 HG23 VAL 119 HG23 VAL 119 -10.196 6.465 -8.087 995 H PHE 120 HN PHE 120 -5.856 7.277 -6.389 996 HA PHE 120 HA PHE 120 -3.631 8.366 -7.976 997 HB2 PHE 120 HB2 PHE 120 -3.651 8.851 -5.639 998 HB3 PHE 120 HB3 PHE 120 -3.965 7.213 -5.176 999 HD1 PHE 120 HD1 PHE 120 -2.113 5.660 -4.793 1000 HD2 PHE 120 HD2 PHE 120 -1.400 9.460 -6.688 1001 HE1 PHE 120 HE1 PHE 120 0.314 5.351 -4.530 1002 HE2 PHE 120 HE2 PHE 120 1.025 9.100 -6.450 1003 HZ PHE 120 HZ PHE 120 1.878 7.089 -5.322 1004 H LYS 121 HN LYS 121 -1.870 7.083 -8.730 1005 HA LYS 121 HA LYS 121 -1.997 4.171 -8.360 1006 HB2 LYS 121 HB2 LYS 121 -1.492 5.412 -11.110 1007 HB3 LYS 121 HB3 LYS 121 -1.281 3.749 -10.690 1008 HG2 LYS 121 HG2 LYS 121 -3.329 3.391 -11.502 1009 HG3 LYS 121 HG3 LYS 121 -3.895 3.967 -9.975 1010 HD2 LYS 121 HD2 LYS 121 -5.153 5.205 -11.541 1011 HD3 LYS 121 HD3 LYS 121 -3.936 6.340 -11.022 1012 HE2 LYS 121 HE2 LYS 121 -2.551 5.724 -13.097 1013 HE3 LYS 121 HE3 LYS 121 -3.874 4.699 -13.613 1014 HZ1 LYS 121 HZ1 LYS 121 -3.961 6.847 -14.609 1015 HZ2 LYS 121 HZ2 LYS 121 -4.029 7.593 -13.142 1016 HZ3 LYS 121 HZ3 LYS 121 -5.278 6.638 -13.639 1017 H ARG 122 HN ARG 122 -0.015 3.125 -8.584 1018 HA ARG 122 HA ARG 122 2.422 4.750 -8.871 1019 HB2 ARG 122 HB2 ARG 122 1.464 3.767 -6.334 1020 HB3 ARG 122 HB3 ARG 122 2.737 2.679 -6.787 1021 HG2 ARG 122 HG2 ARG 122 4.212 4.618 -7.218 1022 HG3 ARG 122 HG3 ARG 122 2.996 5.747 -6.710 1023 HD2 ARG 122 HD2 ARG 122 4.234 5.519 -4.682 1024 HD3 ARG 122 HD3 ARG 122 3.051 4.247 -4.492 1025 HE ARG 122 HE ARG 122 5.242 3.138 -5.866 1026 HH11 ARG 122 HH11 ARG 122 4.203 4.114 -2.598 1027 HH12 ARG 122 HH12 ARG 122 5.288 3.006 -1.801 1028 HH21 ARG 122 HH21 ARG 122 6.622 1.688 -4.799 1029 HH22 ARG 122 HH22 ARG 122 6.682 1.634 -3.055 1030 H ILE 123 HN ILE 123 4.080 3.693 -9.838 1031 HA ILE 123 HA ILE 123 3.739 0.846 -10.637 1032 HB ILE 123 HB ILE 123 4.795 3.096 -12.430 1033 HG12 ILE 123 HG12 ILE 123 2.712 2.147 -13.863 1034 HG13 ILE 123 HG13 ILE 123 2.054 1.831 -12.294 1035 HG21 ILE 123 HG21 ILE 123 4.861 1.339 -14.196 1036 HG22 ILE 123 HG22 ILE 123 5.924 0.925 -12.874 1037 HG23 ILE 123 HG23 ILE 123 4.361 0.128 -13.021 1038 HD11 ILE 123 HD11 ILE 123 3.024 4.554 -13.355 1039 HD12 ILE 123 HD12 ILE 123 1.348 4.056 -13.172 1040 HD13 ILE 123 HD13 ILE 123 2.342 4.327 -11.752 1041 H SER 124 HN SER 124 5.437 -0.258 -9.925 1042 HA SER 124 HA SER 124 8.121 1.007 -9.659 1043 HB2 SER 124 HB2 SER 124 6.534 -0.667 -7.628 1044 HB3 SER 124 HB3 SER 124 8.282 -0.577 -7.578 1045 HG SER 124 HG SER 124 8.198 1.585 -7.261 1046 H LYS 125 HN LYS 125 9.887 -0.488 -9.943 1047 HA LYS 125 HA LYS 125 9.174 -3.077 -11.206 1048 HB2 LYS 125 HB2 LYS 125 9.426 -1.382 -12.962 1049 HB3 LYS 125 HB3 LYS 125 11.035 -0.996 -12.424 1050 HG2 LYS 125 HG2 LYS 125 10.516 -3.898 -13.051 1051 HG3 LYS 125 HG3 LYS 125 10.318 -2.831 -14.395 1052 HD2 LYS 125 HD2 LYS 125 12.861 -2.909 -12.723 1053 HD3 LYS 125 HD3 LYS 125 12.607 -3.894 -14.139 1054 HE2 LYS 125 HE2 LYS 125 12.196 -1.685 -15.446 1055 HE3 LYS 125 HE3 LYS 125 12.757 -0.833 -14.017 1056 HZ1 LYS 125 HZ1 LYS 125 14.274 -2.831 -15.535 1057 HZ2 LYS 125 HZ2 LYS 125 14.818 -2.037 -14.195 1058 HZ3 LYS 125 HZ3 LYS 125 14.495 -1.198 -15.579 1059 H ARG 126 HN ARG 126 10.480 -4.714 -10.811 1060 HA ARG 126 HA ARG 126 11.899 -4.719 -8.444 1061 HB2 ARG 126 HB2 ARG 126 10.592 -6.555 -9.431 1062 HB3 ARG 126 HB3 ARG 126 11.824 -6.859 -10.617 1063 HG2 ARG 126 HG2 ARG 126 13.368 -7.596 -8.938 1064 HG3 ARG 126 HG3 ARG 126 12.439 -6.965 -7.606 1065 HD2 ARG 126 HD2 ARG 126 11.888 -9.272 -7.460 1066 HD3 ARG 126 HD3 ARG 126 10.565 -8.581 -8.339 1067 HE ARG 126 HE ARG 126 10.954 -9.656 -10.198 1068 HH11 ARG 126 HH11 ARG 126 13.928 -9.896 -8.260 1069 HH12 ARG 126 HH12 ARG 126 14.678 -11.057 -9.324 1070 HH21 ARG 126 HH21 ARG 126 11.935 -11.200 -11.559 1071 HH22 ARG 126 HH22 ARG 126 13.520 -11.825 -11.193 1072 H ILE 127 HN ILE 127 13.974 -4.726 -7.824 1073 HA ILE 127 HA ILE 127 16.036 -3.872 -9.770 1074 HB ILE 127 HB ILE 127 16.272 -4.015 -6.727 1075 HG12 ILE 127 HG12 ILE 127 15.276 -1.652 -8.338 1076 HG13 ILE 127 HG13 ILE 127 14.331 -2.562 -7.202 1077 HG21 ILE 127 HG21 ILE 127 18.403 -3.805 -8.060 1078 HG22 ILE 127 HG22 ILE 127 17.787 -2.325 -8.784 1079 HG23 ILE 127 HG23 ILE 127 18.126 -2.402 -7.059 1080 HD11 ILE 127 HD11 ILE 127 16.440 -1.785 -5.575 1081 HD12 ILE 127 HD12 ILE 127 16.331 -0.427 -6.681 1082 HD13 ILE 127 HD13 ILE 127 14.923 -0.903 -5.736 Start of MODEL 3 1 H1 HIS -7 HN HIS -7 -14.865 -32.841 -10.583 2 HA HIS -7 HA HIS -7 -12.243 -31.725 -10.362 3 HB2 HIS -7 HB2 HIS -7 -14.961 -30.392 -9.521 4 HB3 HIS -7 HB3 HIS -7 -13.498 -30.063 -8.636 5 HD1 HIS -7 HD1 HIS -7 -13.575 -27.587 -9.075 6 HD2 HIS -7 HD2 HIS -7 -13.185 -29.849 -12.617 7 HE1 HIS -7 HE1 HIS -7 -12.907 -26.030 -10.952 8 H HIS -6 HN HIS -6 -11.414 -32.010 -8.412 9 HA HIS -6 HA HIS -6 -12.700 -32.842 -6.085 10 HB2 HIS -6 HB2 HIS -6 -11.475 -35.087 -7.742 11 HB3 HIS -6 HB3 HIS -6 -11.208 -35.112 -6.024 12 HD1 HIS -6 HD1 HIS -6 -12.853 -37.278 -7.590 13 HD2 HIS -6 HD2 HIS -6 -14.536 -34.156 -5.303 14 HE1 HIS -6 HE1 HIS -6 -15.174 -37.974 -6.870 15 H HIS -5 HN HIS -5 -9.729 -32.949 -8.039 16 HA HIS -5 HA HIS -5 -7.890 -32.180 -5.984 17 HB2 HIS -5 HB2 HIS -5 -6.419 -31.709 -7.962 18 HB3 HIS -5 HB3 HIS -5 -7.120 -33.294 -7.988 19 HD1 HIS -5 HD1 HIS -5 -7.609 -33.937 -10.336 20 HD2 HIS -5 HD2 HIS -5 -8.452 -29.848 -9.732 21 HE1 HIS -5 HE1 HIS -5 -8.500 -32.975 -12.495 22 H HIS -4 HN HIS -4 -6.679 -30.146 -6.002 23 HA HIS -4 HA HIS -4 -7.715 -27.755 -7.152 24 HB2 HIS -4 HB2 HIS -4 -8.185 -26.615 -4.907 25 HB3 HIS -4 HB3 HIS -4 -9.405 -27.709 -5.466 26 HD1 HIS -4 HD1 HIS -4 -9.697 -30.020 -4.177 27 HD2 HIS -4 HD2 HIS -4 -6.989 -27.329 -2.372 28 HE1 HIS -4 HE1 HIS -4 -9.252 -30.800 -1.813 29 H HIS -3 HN HIS -3 -6.348 -25.917 -6.668 30 HA HIS -3 HA HIS -3 -3.772 -26.386 -5.394 31 HB2 HIS -3 HB2 HIS -3 -2.525 -25.970 -7.566 32 HB3 HIS -3 HB3 HIS -3 -3.290 -27.525 -7.460 33 HD1 HIS -3 HD1 HIS -3 -3.564 -24.218 -9.298 34 HD2 HIS -3 HD2 HIS -3 -5.351 -28.038 -9.410 35 HE1 HIS -3 HE1 HIS -3 -4.942 -24.393 -11.412 36 H HIS -2 HN HIS -2 -2.564 -24.545 -5.146 37 HA HIS -2 HA HIS -2 -3.297 -21.926 -6.027 38 HB2 HIS -2 HB2 HIS -2 -4.072 -21.104 -3.723 39 HB3 HIS -2 HB3 HIS -2 -5.225 -22.034 -4.618 40 HD1 HIS -2 HD1 HIS -2 -2.742 -22.511 -1.730 41 HD2 HIS -2 HD2 HIS -2 -6.276 -24.256 -3.234 42 HE1 HIS -2 HE1 HIS -2 -3.528 -24.268 -0.087 43 H VAL -1 HN VAL -1 -1.256 -24.135 -4.376 44 HA VAL -1 HA VAL -1 0.458 -22.243 -3.059 45 HB VAL -1 HB VAL -1 1.961 -24.265 -2.843 46 HG11 VAL -1 HG11 VAL -1 0.417 -23.572 -1.055 47 HG12 VAL -1 HG12 VAL -1 -0.870 -24.547 -1.758 48 HG13 VAL -1 HG13 VAL -1 0.572 -25.319 -1.108 49 HG21 VAL -1 HG21 VAL -1 1.242 -25.701 -4.758 50 HG22 VAL -1 HG22 VAL -1 1.025 -26.522 -3.232 51 HG23 VAL -1 HG23 VAL -1 -0.365 -25.842 -4.058 52 H ALA 0 HN ALA 0 0.781 -20.751 -4.755 53 HA ALA 0 HA ALA 0 3.137 -21.270 -6.426 54 HB1 ALA 0 HB1 ALA 0 0.437 -20.281 -7.532 55 HB2 ALA 0 HB2 ALA 0 1.944 -20.344 -8.444 56 HB3 ALA 0 HB3 ALA 0 1.185 -21.833 -7.904 57 H MET 1 HN MET 1 3.895 -19.194 -7.396 58 HA MET 1 HA MET 1 4.684 -17.142 -7.258 59 HB2 MET 1 HB2 MET 1 1.995 -16.378 -5.991 60 HB3 MET 1 HB3 MET 1 3.123 -15.253 -6.646 61 HG2 MET 1 HG2 MET 1 1.687 -17.384 -8.279 62 HG3 MET 1 HG3 MET 1 1.246 -15.707 -8.175 63 HE1 MET 1 HE1 MET 1 4.032 -13.839 -10.158 64 HE2 MET 1 HE2 MET 1 2.529 -13.694 -9.240 65 HE3 MET 1 HE3 MET 1 4.048 -14.075 -8.411 66 H SER 2 HN SER 2 4.820 -15.070 -5.651 67 HA SER 2 HA SER 2 4.717 -15.401 -2.899 68 HB2 SER 2 HB2 SER 2 6.741 -16.885 -3.091 69 HB3 SER 2 HB3 SER 2 7.574 -15.654 -4.016 70 HG SER 2 HG SER 2 6.750 -15.582 -1.310 71 H PHE 3 HN PHE 3 4.684 -13.354 -2.051 72 HA PHE 3 HA PHE 3 5.456 -11.023 -3.724 73 HB2 PHE 3 HB2 PHE 3 3.976 -11.278 -1.079 74 HB3 PHE 3 HB3 PHE 3 4.410 -9.772 -1.817 75 HD1 PHE 3 HD1 PHE 3 3.105 -8.794 -3.609 76 HD2 PHE 3 HD2 PHE 3 2.245 -12.782 -2.190 77 HE1 PHE 3 HE1 PHE 3 0.884 -8.725 -4.678 78 HE2 PHE 3 HE2 PHE 3 0.047 -12.677 -3.281 79 HZ PHE 3 HZ PHE 3 -0.654 -10.638 -4.457 80 H SER 4 HN SER 4 7.742 -12.099 -3.480 81 HA SER 4 HA SER 4 9.110 -10.719 -1.245 82 HB2 SER 4 HB2 SER 4 10.649 -12.544 -0.952 83 HB3 SER 4 HB3 SER 4 9.021 -13.112 -0.683 84 HG SER 4 HG SER 4 9.072 -14.206 -2.562 85 H GLY 5 HN GLY 5 10.501 -9.255 -1.945 86 HA2 GLY 5 HA2 GLY 5 12.461 -9.358 -3.853 87 HA3 GLY 5 HA1 GLY 5 11.034 -8.936 -4.801 88 H LYS 6 HN LYS 6 12.900 -7.060 -4.836 89 HA LYS 6 HA LYS 6 11.835 -4.880 -3.128 90 HB2 LYS 6 HB2 LYS 6 14.285 -5.911 -2.587 91 HB3 LYS 6 HB3 LYS 6 14.768 -4.920 -3.925 92 HG2 LYS 6 HG2 LYS 6 13.100 -3.270 -2.236 93 HG3 LYS 6 HG3 LYS 6 14.039 -4.248 -1.156 94 HD2 LYS 6 HD2 LYS 6 15.184 -2.472 -3.317 95 HD3 LYS 6 HD3 LYS 6 14.998 -2.010 -1.651 96 HE2 LYS 6 HE2 LYS 6 16.541 -3.906 -0.976 97 HE3 LYS 6 HE3 LYS 6 16.801 -4.267 -2.675 98 HZ1 LYS 6 HZ1 LYS 6 17.396 -1.715 -1.354 99 HZ2 LYS 6 HZ2 LYS 6 17.651 -2.041 -2.951 100 HZ3 LYS 6 HZ3 LYS 6 18.495 -2.860 -1.795 101 H TYR 7 HN TYR 7 11.360 -3.041 -4.186 102 HA TYR 7 HA TYR 7 11.733 -2.953 -7.141 103 HB2 TYR 7 HB2 TYR 7 9.130 -2.564 -5.567 104 HB3 TYR 7 HB3 TYR 7 9.309 -2.439 -7.291 105 HD1 TYR 7 HD1 TYR 7 9.185 -4.404 -8.697 106 HD2 TYR 7 HD2 TYR 7 9.298 -4.807 -4.405 107 HE1 TYR 7 HE1 TYR 7 8.641 -6.803 -8.909 108 HE2 TYR 7 HE2 TYR 7 8.727 -7.207 -4.621 109 HH TYR 7 HH TYR 7 8.177 -8.760 -7.812 110 H GLN 8 HN GLN 8 12.212 -0.949 -7.910 111 HA GLN 8 HA GLN 8 12.123 1.412 -6.123 112 HB2 GLN 8 HB2 GLN 8 13.534 2.454 -7.719 113 HB3 GLN 8 HB3 GLN 8 14.163 0.882 -7.416 114 HG2 GLN 8 HG2 GLN 8 12.554 0.411 -9.683 115 HG3 GLN 8 HG3 GLN 8 13.053 2.053 -9.940 116 HE21 GLN 8 HE21 GLN 8 13.818 -1.094 -10.637 117 HE22 GLN 8 HE22 GLN 8 15.533 -0.933 -10.905 118 H LEU 9 HN LEU 9 10.972 3.321 -6.741 119 HA LEU 9 HA LEU 9 8.467 2.988 -8.079 120 HB2 LEU 9 HB2 LEU 9 8.728 4.464 -6.193 121 HB3 LEU 9 HB3 LEU 9 10.039 5.307 -6.932 122 HG LEU 9 HG LEU 9 8.491 6.296 -8.613 123 HD11 LEU 9 HD11 LEU 9 6.417 5.488 -8.942 124 HD12 LEU 9 HD12 LEU 9 5.955 5.884 -7.301 125 HD13 LEU 9 HD13 LEU 9 6.619 4.310 -7.657 126 HD21 LEU 9 HD21 LEU 9 8.504 8.022 -7.198 127 HD22 LEU 9 HD22 LEU 9 8.741 6.960 -5.822 128 HD23 LEU 9 HD23 LEU 9 7.131 7.384 -6.319 129 H GLN 10 HN GLN 10 7.695 3.917 -10.022 130 HA GLN 10 HA GLN 10 9.761 4.580 -12.085 131 HB2 GLN 10 HB2 GLN 10 7.249 2.880 -12.417 132 HB3 GLN 10 HB3 GLN 10 8.321 3.332 -13.699 133 HG2 GLN 10 HG2 GLN 10 9.201 1.598 -11.322 134 HG3 GLN 10 HG3 GLN 10 8.555 0.972 -12.810 135 HE21 GLN 10 HE21 GLN 10 11.320 2.705 -11.372 136 HE22 GLN 10 HE22 GLN 10 12.435 2.336 -12.665 137 H SER 11 HN SER 11 6.280 4.890 -11.120 138 HA SER 11 HA SER 11 6.168 7.639 -11.994 139 HB2 SER 11 HB2 SER 11 5.126 5.405 -13.781 140 HB3 SER 11 HB3 SER 11 4.104 6.812 -13.604 141 HG SER 11 HG SER 11 6.816 6.905 -14.363 142 H GLN 12 HN GLN 12 4.172 8.681 -11.519 143 HA GLN 12 HA GLN 12 2.220 7.208 -9.864 144 HB2 GLN 12 HB2 GLN 12 3.285 9.970 -9.049 145 HB3 GLN 12 HB3 GLN 12 2.175 8.952 -8.197 146 HG2 GLN 12 HG2 GLN 12 3.953 8.439 -6.907 147 HG3 GLN 12 HG3 GLN 12 4.324 7.277 -8.141 148 HE21 GLN 12 HE21 GLN 12 5.349 10.164 -6.479 149 HE22 GLN 12 HE22 GLN 12 6.807 10.450 -7.389 150 H GLU 13 HN GLU 13 0.121 7.923 -10.233 151 HA GLU 13 HA GLU 13 -0.283 10.462 -11.770 152 HB2 GLU 13 HB2 GLU 13 -2.126 8.030 -11.829 153 HB3 GLU 13 HB3 GLU 13 -2.397 9.549 -12.594 154 HG2 GLU 13 HG2 GLU 13 -1.669 8.345 -14.405 155 HG3 GLU 13 HG3 GLU 13 -0.173 9.102 -13.932 156 H ASN 14 HN ASN 14 -1.977 11.767 -11.078 157 HA ASN 14 HA ASN 14 -3.063 12.943 -9.635 158 HB2 ASN 14 HB2 ASN 14 -4.209 10.209 -9.300 159 HB3 ASN 14 HB3 ASN 14 -4.514 11.153 -7.891 160 HD21 ASN 14 HD21 ASN 14 -6.324 10.127 -10.047 161 HD22 ASN 14 HD22 ASN 14 -7.247 11.539 -10.503 162 H PHE 15 HN PHE 15 -0.319 12.216 -8.874 163 HA PHE 15 HA PHE 15 -0.062 11.567 -6.192 164 HB2 PHE 15 HB2 PHE 15 1.752 11.398 -7.827 165 HB3 PHE 15 HB3 PHE 15 1.853 13.128 -7.971 166 HD1 PHE 15 HD1 PHE 15 2.667 10.187 -5.885 167 HD2 PHE 15 HD2 PHE 15 2.805 14.497 -6.046 168 HE1 PHE 15 HE1 PHE 15 4.167 10.230 -3.940 169 HE2 PHE 15 HE2 PHE 15 4.302 14.497 -4.099 170 HZ PHE 15 HZ PHE 15 4.980 12.375 -3.050 171 H GLU 16 HN GLU 16 0.256 14.956 -7.474 172 HA GLU 16 HA GLU 16 0.300 16.052 -4.853 173 HB2 GLU 16 HB2 GLU 16 -0.344 17.481 -7.460 174 HB3 GLU 16 HB3 GLU 16 0.074 18.226 -5.941 175 HG2 GLU 16 HG2 GLU 16 2.292 16.809 -6.088 176 HG3 GLU 16 HG3 GLU 16 1.862 16.517 -7.747 177 H ALA 17 HN ALA 17 -2.440 15.350 -7.036 178 HA ALA 17 HA ALA 17 -4.440 16.780 -5.611 179 HB1 ALA 17 HB1 ALA 17 -6.004 15.250 -6.831 180 HB2 ALA 17 HB2 ALA 17 -4.787 15.928 -7.903 181 HB3 ALA 17 HB3 ALA 17 -4.638 14.266 -7.342 182 H PHE 18 HN PHE 18 -3.250 13.399 -5.287 183 HA PHE 18 HA PHE 18 -5.012 12.661 -3.160 184 HB2 PHE 18 HB2 PHE 18 -4.137 10.993 -4.629 185 HB3 PHE 18 HB3 PHE 18 -2.482 11.440 -4.325 186 HD1 PHE 18 HD1 PHE 18 -5.515 9.887 -2.786 187 HD2 PHE 18 HD2 PHE 18 -1.274 10.572 -2.395 188 HE1 PHE 18 HE1 PHE 18 -5.424 8.350 -0.862 189 HE2 PHE 18 HE2 PHE 18 -1.221 9.028 -0.473 190 HZ PHE 18 HZ PHE 18 -3.289 7.934 0.293 191 H MET 19 HN MET 19 -1.561 13.647 -3.151 192 HA MET 19 HA MET 19 -1.134 13.312 -0.393 193 HB2 MET 19 HB2 MET 19 0.258 15.137 -2.377 194 HB3 MET 19 HB3 MET 19 0.861 14.728 -0.790 195 HG2 MET 19 HG2 MET 19 0.311 12.382 -2.596 196 HG3 MET 19 HG3 MET 19 1.588 13.460 -3.062 197 HE1 MET 19 HE1 MET 19 0.194 11.303 -0.110 198 HE2 MET 19 HE2 MET 19 0.927 10.235 -1.317 199 HE3 MET 19 HE3 MET 19 1.652 10.387 0.288 200 H LYS 20 HN LYS 20 -2.127 16.263 -2.237 201 HA LYS 20 HA LYS 20 -2.162 17.955 0.108 202 HB2 LYS 20 HB2 LYS 20 -3.305 18.326 -2.692 203 HB3 LYS 20 HB3 LYS 20 -3.284 19.569 -1.494 204 HG2 LYS 20 HG2 LYS 20 -0.755 18.229 -2.581 205 HG3 LYS 20 HG3 LYS 20 -1.416 19.703 -3.202 206 HD2 LYS 20 HD2 LYS 20 -0.370 19.300 -0.356 207 HD3 LYS 20 HD3 LYS 20 0.518 20.019 -1.664 208 HE2 LYS 20 HE2 LYS 20 -1.226 21.854 -1.826 209 HE3 LYS 20 HE3 LYS 20 -2.048 21.164 -0.433 210 HZ1 LYS 20 HZ1 LYS 20 0.702 22.161 -0.475 211 HZ2 LYS 20 HZ2 LYS 20 -0.049 21.486 0.833 212 HZ3 LYS 20 HZ3 LYS 20 -0.602 22.908 0.202 213 H ALA 21 HN ALA 21 -4.549 15.807 -1.414 214 HA ALA 21 HA ALA 21 -6.839 16.941 -0.068 215 HB1 ALA 21 HB1 ALA 21 -7.194 15.709 -2.116 216 HB2 ALA 21 HB2 ALA 21 -6.409 14.265 -1.470 217 HB3 ALA 21 HB3 ALA 21 -7.952 14.808 -0.817 218 H ILE 22 HN ILE 22 -4.556 14.241 0.696 219 HA ILE 22 HA ILE 22 -5.917 13.656 3.210 220 HB ILE 22 HB ILE 22 -4.102 12.195 3.736 221 HG12 ILE 22 HG12 ILE 22 -2.681 12.942 1.178 222 HG13 ILE 22 HG13 ILE 22 -2.163 13.485 2.746 223 HG21 ILE 22 HG21 ILE 22 -4.434 10.505 1.987 224 HG22 ILE 22 HG22 ILE 22 -5.926 11.365 2.310 225 HG23 ILE 22 HG23 ILE 22 -4.997 11.732 0.861 226 HD11 ILE 22 HD11 ILE 22 -2.308 10.724 3.160 227 HD12 ILE 22 HD12 ILE 22 -1.781 10.838 1.483 228 HD13 ILE 22 HD13 ILE 22 -0.853 11.611 2.761 229 H GLY 23 HN GLY 23 -3.772 16.124 2.178 230 HA2 GLY 23 HA2 GLY 23 -3.641 18.074 3.383 231 HA3 GLY 23 HA1 GLY 23 -3.936 17.246 4.890 232 H LEU 24 HN LEU 24 -1.349 15.936 2.808 233 HA LEU 24 HA LEU 24 0.669 16.342 4.728 234 HB2 LEU 24 HB2 LEU 24 0.627 15.611 1.778 235 HB3 LEU 24 HB3 LEU 24 2.158 15.853 2.545 236 HG LEU 24 HG LEU 24 0.121 13.901 3.662 237 HD11 LEU 24 HD11 LEU 24 2.338 13.417 1.636 238 HD12 LEU 24 HD12 LEU 24 0.608 13.153 1.420 239 HD13 LEU 24 HD13 LEU 24 1.522 12.127 2.517 240 HD21 LEU 24 HD21 LEU 24 1.653 14.063 5.400 241 HD22 LEU 24 HD22 LEU 24 2.936 14.680 4.372 242 HD23 LEU 24 HD23 LEU 24 2.604 12.968 4.399 243 HA PRO 25 HA PRO 25 2.021 20.574 3.803 244 HB2 PRO 25 HB2 PRO 25 4.636 20.451 4.692 245 HB3 PRO 25 HB3 PRO 25 3.249 20.472 5.771 246 HG2 PRO 25 HG2 PRO 25 4.759 18.048 4.775 247 HG3 PRO 25 HG3 PRO 25 4.394 18.443 6.453 248 HD2 PRO 25 HD2 PRO 25 2.838 16.736 5.075 249 HD3 PRO 25 HD3 PRO 25 2.049 17.920 6.124 250 H GLU 26 HN GLU 26 3.026 21.653 2.107 251 HA GLU 26 HA GLU 26 3.353 20.184 -0.224 252 HB2 GLU 26 HB2 GLU 26 2.510 22.507 0.021 253 HB3 GLU 26 HB3 GLU 26 4.137 23.067 0.265 254 HG2 GLU 26 HG2 GLU 26 4.798 22.490 -2.007 255 HG3 GLU 26 HG3 GLU 26 3.370 21.506 -2.245 256 H GLU 27 HN GLU 27 5.864 21.039 2.069 257 HA GLU 27 HA GLU 27 8.172 20.596 0.497 258 HB2 GLU 27 HB2 GLU 27 8.252 21.631 2.680 259 HB3 GLU 27 HB3 GLU 27 7.547 20.240 3.454 260 HG2 GLU 27 HG2 GLU 27 9.625 18.894 2.941 261 HG3 GLU 27 HG3 GLU 27 10.309 20.282 2.123 262 H LEU 28 HN LEU 28 6.126 18.275 2.350 263 HA LEU 28 HA LEU 28 7.678 15.957 1.665 264 HB2 LEU 28 HB2 LEU 28 5.022 16.440 3.040 265 HB3 LEU 28 HB3 LEU 28 5.346 14.867 2.397 266 HG LEU 28 HG LEU 28 7.448 14.698 3.653 267 HD11 LEU 28 HD11 LEU 28 7.135 16.566 5.783 268 HD12 LEU 28 HD12 LEU 28 7.051 17.515 4.320 269 HD13 LEU 28 HD13 LEU 28 8.439 16.482 4.615 270 HD21 LEU 28 HD21 LEU 28 6.457 13.901 5.602 271 HD22 LEU 28 HD22 LEU 28 5.129 13.872 4.462 272 HD23 LEU 28 HD23 LEU 28 5.232 15.167 5.651 273 H ILE 29 HN ILE 29 5.049 17.695 0.032 274 HA ILE 29 HA ILE 29 4.583 15.633 -1.926 275 HB ILE 29 HB ILE 29 3.881 18.584 -1.846 276 HG12 ILE 29 HG12 ILE 29 1.566 17.548 -2.294 277 HG13 ILE 29 HG13 ILE 29 2.317 16.004 -2.034 278 HG21 ILE 29 HG21 ILE 29 2.728 18.335 -4.061 279 HG22 ILE 29 HG22 ILE 29 4.457 18.283 -4.236 280 HG23 ILE 29 HG23 ILE 29 3.538 16.784 -4.278 281 HD11 ILE 29 HD11 ILE 29 1.053 17.046 -0.051 282 HD12 ILE 29 HD12 ILE 29 2.696 16.538 0.332 283 HD13 ILE 29 HD13 ILE 29 2.320 18.244 0.059 284 H GLN 30 HN GLN 30 6.589 18.673 -1.979 285 HA GLN 30 HA GLN 30 7.578 18.236 -4.558 286 HB2 GLN 30 HB2 GLN 30 8.781 19.861 -2.263 287 HB3 GLN 30 HB3 GLN 30 9.379 19.899 -3.890 288 HG2 GLN 30 HG2 GLN 30 6.838 21.105 -2.823 289 HG3 GLN 30 HG3 GLN 30 8.084 21.833 -3.768 290 HE21 GLN 30 HE21 GLN 30 4.920 20.979 -3.895 291 HE22 GLN 30 HE22 GLN 30 4.743 20.665 -5.597 292 H LYS 31 HN LYS 31 9.114 17.187 -1.466 293 HA LYS 31 HA LYS 31 11.333 15.971 -2.937 294 HB2 LYS 31 HB2 LYS 31 12.242 15.437 -0.834 295 HB3 LYS 31 HB3 LYS 31 11.603 17.038 -0.727 296 HG2 LYS 31 HG2 LYS 31 10.730 16.335 1.234 297 HG3 LYS 31 HG3 LYS 31 9.455 15.655 0.269 298 HD2 LYS 31 HD2 LYS 31 10.529 13.445 0.261 299 HD3 LYS 31 HD3 LYS 31 11.942 14.062 1.069 300 HE2 LYS 31 HE2 LYS 31 9.122 13.944 2.256 301 HE3 LYS 31 HE3 LYS 31 10.418 12.817 2.603 302 HZ1 LYS 31 HZ1 LYS 31 10.486 15.687 3.201 303 HZ2 LYS 31 HZ2 LYS 31 11.697 14.615 3.514 304 HZ3 LYS 31 HZ3 LYS 31 10.248 14.472 4.288 305 H GLY 32 HN GLY 32 8.099 15.003 -2.282 306 HA2 GLY 32 HA2 GLY 32 8.611 12.102 -2.220 307 HA3 GLY 32 HA1 GLY 32 7.072 12.936 -2.186 308 H LYS 33 HN LYS 33 7.446 14.638 -4.554 309 HA LYS 33 HA LYS 33 7.046 12.673 -6.684 310 HB2 LYS 33 HB2 LYS 33 6.401 14.596 -8.065 311 HB3 LYS 33 HB3 LYS 33 5.443 14.406 -6.654 312 HG2 LYS 33 HG2 LYS 33 5.855 16.469 -5.931 313 HG3 LYS 33 HG3 LYS 33 7.579 16.273 -6.003 314 HD2 LYS 33 HD2 LYS 33 5.824 16.997 -8.391 315 HD3 LYS 33 HD3 LYS 33 6.597 18.166 -7.363 316 HE2 LYS 33 HE2 LYS 33 8.858 17.184 -7.972 317 HE3 LYS 33 HE3 LYS 33 8.057 16.082 -9.079 318 HZ1 LYS 33 HZ1 LYS 33 8.852 18.021 -10.182 319 HZ2 LYS 33 HZ2 LYS 33 7.963 19.012 -9.206 320 HZ3 LYS 33 HZ3 LYS 33 7.203 17.989 -10.253 321 H ASP 34 HN ASP 34 9.563 15.038 -5.735 322 HA ASP 34 HA ASP 34 10.985 14.862 -8.223 323 HB2 ASP 34 HB2 ASP 34 11.214 16.839 -6.725 324 HB3 ASP 34 HB3 ASP 34 11.946 15.825 -5.499 325 H ILE 35 HN ILE 35 11.725 13.539 -4.914 326 HA ILE 35 HA ILE 35 13.796 11.823 -6.000 327 HB ILE 35 HB ILE 35 12.591 11.777 -3.207 328 HG12 ILE 35 HG12 ILE 35 13.411 13.998 -3.499 329 HG13 ILE 35 HG13 ILE 35 14.502 13.139 -2.468 330 HG21 ILE 35 HG21 ILE 35 15.179 10.580 -4.280 331 HG22 ILE 35 HG22 ILE 35 14.798 10.734 -2.574 332 HG23 ILE 35 HG23 ILE 35 13.812 9.711 -3.594 333 HD11 ILE 35 HD11 ILE 35 14.936 13.989 -5.370 334 HD12 ILE 35 HD12 ILE 35 15.900 14.393 -3.959 335 HD13 ILE 35 HD13 ILE 35 15.976 12.770 -4.630 336 H LYS 36 HN LYS 36 13.355 10.063 -7.056 337 HA LYS 36 HA LYS 36 10.946 8.534 -6.961 338 HB2 LYS 36 HB2 LYS 36 12.292 8.768 -8.944 339 HB3 LYS 36 HB3 LYS 36 13.713 8.122 -8.187 340 HG2 LYS 36 HG2 LYS 36 11.250 6.385 -8.307 341 HG3 LYS 36 HG3 LYS 36 12.057 6.689 -9.796 342 HD2 LYS 36 HD2 LYS 36 13.665 5.663 -7.422 343 HD3 LYS 36 HD3 LYS 36 12.739 4.564 -8.375 344 HE2 LYS 36 HE2 LYS 36 13.997 5.267 -10.432 345 HE3 LYS 36 HE3 LYS 36 14.879 6.458 -9.492 346 HZ1 LYS 36 HZ1 LYS 36 14.973 3.555 -9.081 347 HZ2 LYS 36 HZ2 LYS 36 15.765 4.676 -8.166 348 HZ3 LYS 36 HZ3 LYS 36 16.143 4.494 -9.759 349 H GLY 37 HN GLY 37 10.358 7.404 -5.237 350 HA2 GLY 37 HA2 GLY 37 12.119 6.615 -3.096 351 HA3 GLY 37 HA1 GLY 37 10.397 6.314 -3.242 352 H VAL 38 HN VAL 38 11.506 4.311 -2.142 353 HA VAL 38 HA VAL 38 11.630 2.147 -4.146 354 HB VAL 38 HB VAL 38 13.638 2.613 -1.885 355 HG11 VAL 38 HG11 VAL 38 13.201 0.242 -1.688 356 HG12 VAL 38 HG12 VAL 38 13.256 0.024 -3.438 357 HG13 VAL 38 HG13 VAL 38 14.714 0.420 -2.537 358 HG21 VAL 38 HG21 VAL 38 14.097 2.276 -4.871 359 HG22 VAL 38 HG22 VAL 38 14.305 3.755 -3.936 360 HG23 VAL 38 HG23 VAL 38 15.365 2.393 -3.656 361 H SER 39 HN SER 39 11.041 0.066 -3.248 362 HA SER 39 HA SER 39 9.787 0.018 -0.598 363 HB2 SER 39 HB2 SER 39 8.318 -0.262 -3.273 364 HB3 SER 39 HB3 SER 39 7.799 -1.206 -1.895 365 HG SER 39 HG SER 39 8.152 1.588 -1.790 366 H GLU 40 HN GLU 40 9.667 -2.022 0.291 367 HA GLU 40 HA GLU 40 10.801 -4.295 -1.255 368 HB2 GLU 40 HB2 GLU 40 12.546 -3.261 0.204 369 HB3 GLU 40 HB3 GLU 40 11.542 -3.477 1.586 370 HG2 GLU 40 HG2 GLU 40 11.582 -5.955 1.332 371 HG3 GLU 40 HG3 GLU 40 12.559 -5.805 -0.107 372 H ILE 41 HN ILE 41 9.768 -6.195 -0.954 373 HA ILE 41 HA ILE 41 7.382 -6.216 0.847 374 HB ILE 41 HB ILE 41 7.516 -7.593 -1.875 375 HG12 ILE 41 HG12 ILE 41 6.384 -4.800 -1.397 376 HG13 ILE 41 HG13 ILE 41 7.809 -5.141 -2.339 377 HG21 ILE 41 HG21 ILE 41 5.184 -6.686 -0.132 378 HG22 ILE 41 HG22 ILE 41 5.042 -7.613 -1.619 379 HG23 ILE 41 HG23 ILE 41 5.778 -8.335 -0.198 380 HD11 ILE 41 HD11 ILE 41 6.266 -4.976 -4.042 381 HD12 ILE 41 HD12 ILE 41 6.181 -6.711 -3.762 382 HD13 ILE 41 HD13 ILE 41 4.946 -5.643 -3.091 383 H VAL 42 HN VAL 42 7.295 -8.041 2.131 384 HA VAL 42 HA VAL 42 9.064 -10.355 1.502 385 HB VAL 42 HB VAL 42 9.064 -8.950 4.217 386 HG11 VAL 42 HG11 VAL 42 10.724 -11.297 3.219 387 HG12 VAL 42 HG12 VAL 42 10.960 -10.467 4.750 388 HG13 VAL 42 HG13 VAL 42 9.485 -11.364 4.467 389 HG21 VAL 42 HG21 VAL 42 11.433 -8.327 3.762 390 HG22 VAL 42 HG22 VAL 42 11.227 -8.828 2.088 391 HG23 VAL 42 HG23 VAL 42 10.297 -7.478 2.739 392 H GLN 43 HN GLN 43 7.192 -11.534 1.002 393 HA GLN 43 HA GLN 43 5.258 -12.143 3.098 394 HB2 GLN 43 HB2 GLN 43 4.604 -12.236 0.767 395 HB3 GLN 43 HB3 GLN 43 5.813 -13.446 0.410 396 HG2 GLN 43 HG2 GLN 43 4.625 -15.048 1.991 397 HG3 GLN 43 HG3 GLN 43 3.457 -13.797 2.354 398 HE21 GLN 43 HE21 GLN 43 2.035 -15.672 1.691 399 HE22 GLN 43 HE22 GLN 43 1.630 -15.815 -0.002 400 H ASN 44 HN ASN 44 5.314 -13.762 4.521 401 HA ASN 44 HA ASN 44 7.315 -15.889 4.365 402 HB2 ASN 44 HB2 ASN 44 8.047 -15.553 6.708 403 HB3 ASN 44 HB3 ASN 44 8.564 -14.292 5.634 404 HD21 ASN 44 HD21 ASN 44 7.327 -12.150 5.690 405 HD22 ASN 44 HD22 ASN 44 6.717 -11.660 7.247 406 H GLY 45 HN GLY 45 5.469 -16.991 3.668 407 HA2 GLY 45 HA2 GLY 45 3.769 -18.491 3.963 408 HA3 GLY 45 HA1 GLY 45 3.907 -18.316 5.707 409 H LYS 46 HN LYS 46 1.995 -17.610 6.539 410 HA LYS 46 HA LYS 46 0.045 -16.084 5.103 411 HB2 LYS 46 HB2 LYS 46 0.347 -17.249 7.877 412 HB3 LYS 46 HB3 LYS 46 -0.772 -15.944 7.709 413 HG2 LYS 46 HG2 LYS 46 -0.977 -18.475 6.071 414 HG3 LYS 46 HG3 LYS 46 -1.891 -18.089 7.500 415 HD2 LYS 46 HD2 LYS 46 -2.467 -15.842 6.055 416 HD3 LYS 46 HD3 LYS 46 -2.090 -16.901 4.730 417 HE2 LYS 46 HE2 LYS 46 -4.453 -17.043 5.023 418 HE3 LYS 46 HE3 LYS 46 -3.810 -18.566 5.614 419 HZ1 LYS 46 HZ1 LYS 46 -5.430 -17.633 7.095 420 HZ2 LYS 46 HZ2 LYS 46 -4.570 -16.234 7.238 421 HZ3 LYS 46 HZ3 LYS 46 -3.964 -17.642 7.850 422 H HIS 47 HN HIS 47 2.743 -15.132 7.199 423 HA HIS 47 HA HIS 47 1.764 -12.426 7.568 424 HB2 HIS 47 HB2 HIS 47 4.001 -14.044 8.565 425 HB3 HIS 47 HB3 HIS 47 4.589 -12.516 7.993 426 HD1 HIS 47 HD1 HIS 47 2.451 -10.510 8.901 427 HD2 HIS 47 HD2 HIS 47 3.884 -13.644 11.334 428 HE1 HIS 47 HE1 HIS 47 2.095 -9.868 11.314 429 H PHE 48 HN PHE 48 2.615 -10.551 6.691 430 HA PHE 48 HA PHE 48 4.237 -10.623 4.237 431 HB2 PHE 48 HB2 PHE 48 1.823 -10.926 3.577 432 HB3 PHE 48 HB3 PHE 48 1.396 -9.515 4.487 433 HD1 PHE 48 HD1 PHE 48 2.293 -10.737 1.266 434 HD2 PHE 48 HD2 PHE 48 2.564 -7.203 3.739 435 HE1 PHE 48 HE1 PHE 48 2.437 -9.295 -0.718 436 HE2 PHE 48 HE2 PHE 48 2.769 -5.835 1.724 437 HZ PHE 48 HZ PHE 48 2.672 -6.867 -0.504 438 H LYS 49 HN LYS 49 5.518 -8.845 4.121 439 HA LYS 49 HA LYS 49 4.979 -6.550 5.957 440 HB2 LYS 49 HB2 LYS 49 6.958 -8.174 6.471 441 HB3 LYS 49 HB3 LYS 49 7.728 -7.503 5.058 442 HG2 LYS 49 HG2 LYS 49 7.591 -5.217 6.131 443 HG3 LYS 49 HG3 LYS 49 6.755 -5.930 7.491 444 HD2 LYS 49 HD2 LYS 49 8.792 -7.440 7.849 445 HD3 LYS 49 HD3 LYS 49 9.619 -6.501 6.631 446 HE2 LYS 49 HE2 LYS 49 9.289 -4.423 8.012 447 HE3 LYS 49 HE3 LYS 49 8.457 -5.372 9.234 448 HZ1 LYS 49 HZ1 LYS 49 10.739 -5.053 9.779 449 HZ2 LYS 49 HZ2 LYS 49 11.235 -5.762 8.373 450 HZ3 LYS 49 HZ3 LYS 49 10.450 -6.656 9.517 451 H PHE 50 HN PHE 50 5.282 -4.518 5.102 452 HA PHE 50 HA PHE 50 6.169 -4.246 2.287 453 HB2 PHE 50 HB2 PHE 50 3.479 -4.161 2.890 454 HB3 PHE 50 HB3 PHE 50 3.848 -2.508 3.191 455 HD1 PHE 50 HD1 PHE 50 6.031 -2.155 0.928 456 HD2 PHE 50 HD2 PHE 50 2.028 -3.779 1.035 457 HE1 PHE 50 HE1 PHE 50 5.706 -1.597 -1.438 458 HE2 PHE 50 HE2 PHE 50 1.759 -3.217 -1.339 459 HZ PHE 50 HZ PHE 50 3.599 -2.145 -2.579 460 H THR 51 HN THR 51 8.063 -3.303 2.755 461 HA THR 51 HA THR 51 8.245 -0.986 4.608 462 HB THR 51 HB THR 51 10.336 -2.532 3.026 463 HG1 THR 51 HG1 THR 51 11.017 -3.109 5.151 464 HG21 THR 51 HG21 THR 51 11.211 -0.229 3.290 465 HG22 THR 51 HG22 THR 51 12.053 -1.292 4.397 466 HG23 THR 51 HG23 THR 51 10.782 -0.233 4.999 467 H ILE 52 HN ILE 52 8.495 1.065 3.811 468 HA ILE 52 HA ILE 52 8.708 1.504 0.876 469 HB ILE 52 HB ILE 52 6.776 2.977 2.742 470 HG12 ILE 52 HG12 ILE 52 5.099 1.963 0.917 471 HG13 ILE 52 HG13 ILE 52 6.278 0.702 0.811 472 HG21 ILE 52 HG21 ILE 52 5.974 4.077 0.659 473 HG22 ILE 52 HG22 ILE 52 7.648 4.465 0.958 474 HG23 ILE 52 HG23 ILE 52 7.235 3.270 -0.266 475 HD11 ILE 52 HD11 ILE 52 4.354 1.391 3.004 476 HD12 ILE 52 HD12 ILE 52 4.985 -0.181 2.537 477 HD13 ILE 52 HD13 ILE 52 5.924 0.870 3.590 478 H THR 53 HN THR 53 10.577 2.496 0.655 479 HA THR 53 HA THR 53 11.611 4.458 2.596 480 HB THR 53 HB THR 53 12.711 3.368 -0.031 481 HG1 THR 53 HG1 THR 53 14.239 2.452 1.462 482 HG21 THR 53 HG21 THR 53 14.899 4.411 0.673 483 HG22 THR 53 HG22 THR 53 14.054 5.269 1.961 484 HG23 THR 53 HG23 THR 53 13.698 5.617 0.271 485 H ALA 54 HN ALA 54 10.573 6.352 2.468 486 HA ALA 54 HA ALA 54 9.524 7.571 0.036 487 HB1 ALA 54 HB1 ALA 54 9.873 8.634 2.890 488 HB2 ALA 54 HB2 ALA 54 8.907 9.391 1.626 489 HB3 ALA 54 HB3 ALA 54 8.430 7.834 2.278 490 H GLY 55 HN GLY 55 10.214 10.166 0.141 491 HA2 GLY 55 HA2 GLY 55 12.524 10.297 -1.366 492 HA3 GLY 55 HA1 GLY 55 11.733 11.676 -0.639 493 H SER 56 HN SER 56 12.283 10.761 2.190 494 HA SER 56 HA SER 56 14.978 10.038 2.508 495 HB2 SER 56 HB2 SER 56 15.396 12.492 1.920 496 HB3 SER 56 HB3 SER 56 14.476 12.947 3.334 497 HG SER 56 HG SER 56 16.728 12.844 3.698 498 H LYS 57 HN LYS 57 12.754 8.819 3.230 499 HA LYS 57 HA LYS 57 12.830 8.765 6.134 500 HB2 LYS 57 HB2 LYS 57 10.684 10.150 4.699 501 HB3 LYS 57 HB3 LYS 57 10.000 8.717 5.358 502 HG2 LYS 57 HG2 LYS 57 11.562 10.802 6.948 503 HG3 LYS 57 HG3 LYS 57 9.831 10.754 6.826 504 HD2 LYS 57 HD2 LYS 57 11.533 8.548 8.093 505 HD3 LYS 57 HD3 LYS 57 10.734 9.819 8.969 506 HE2 LYS 57 HE2 LYS 57 8.499 8.991 8.127 507 HE3 LYS 57 HE3 LYS 57 9.317 7.677 7.299 508 HZ1 LYS 57 HZ1 LYS 57 8.468 7.035 9.424 509 HZ2 LYS 57 HZ2 LYS 57 9.408 8.147 10.193 510 HZ3 LYS 57 HZ3 LYS 57 10.105 6.885 9.385 511 H VAL 58 HN VAL 58 11.733 6.780 6.954 512 HA VAL 58 HA VAL 58 11.090 4.753 4.891 513 HB VAL 58 HB VAL 58 12.943 4.203 7.260 514 HG11 VAL 58 HG11 VAL 58 11.529 2.224 6.772 515 HG12 VAL 58 HG12 VAL 58 11.946 2.319 5.066 516 HG13 VAL 58 HG13 VAL 58 13.172 1.915 6.262 517 HG21 VAL 58 HG21 VAL 58 14.694 3.663 5.561 518 HG22 VAL 58 HG22 VAL 58 13.638 4.271 4.291 519 HG23 VAL 58 HG23 VAL 58 14.256 5.359 5.533 520 H ILE 59 HN ILE 59 9.251 3.789 5.351 521 HA ILE 59 HA ILE 59 8.306 3.503 8.160 522 HB ILE 59 HB ILE 59 6.595 4.140 5.696 523 HG12 ILE 59 HG12 ILE 59 7.070 5.837 8.177 524 HG13 ILE 59 HG13 ILE 59 7.755 6.150 6.603 525 HG21 ILE 59 HG21 ILE 59 5.337 2.583 7.165 526 HG22 ILE 59 HG22 ILE 59 5.684 3.590 8.569 527 HG23 ILE 59 HG23 ILE 59 4.634 4.166 7.285 528 HD11 ILE 59 HD11 ILE 59 5.956 7.566 6.425 529 HD12 ILE 59 HD12 ILE 59 5.141 6.109 5.865 530 HD13 ILE 59 HD13 ILE 59 4.962 6.635 7.537 531 H GLN 60 HN GLN 60 7.478 1.449 8.564 532 HA GLN 60 HA GLN 60 7.053 -0.374 6.324 533 HB2 GLN 60 HB2 GLN 60 8.304 -2.206 7.517 534 HB3 GLN 60 HB3 GLN 60 9.267 -1.035 6.700 535 HG2 GLN 60 HG2 GLN 60 8.765 -0.604 9.677 536 HG3 GLN 60 HG3 GLN 60 9.832 -1.889 9.183 537 HE21 GLN 60 HE21 GLN 60 9.806 1.396 9.947 538 HE22 GLN 60 HE22 GLN 60 11.336 1.825 9.230 539 H ASN 61 HN ASN 61 5.523 -1.765 6.534 540 HA ASN 61 HA ASN 61 3.980 -1.918 9.088 541 HB2 ASN 61 HB2 ASN 61 2.948 -1.810 6.189 542 HB3 ASN 61 HB3 ASN 61 1.966 -2.056 7.619 543 HD21 ASN 61 HD21 ASN 61 2.432 0.222 5.437 544 HD22 ASN 61 HD22 ASN 61 2.307 1.656 6.427 545 H GLU 62 HN GLU 62 2.763 -3.865 9.317 546 HA GLU 62 HA GLU 62 3.474 -6.141 7.625 547 HB2 GLU 62 HB2 GLU 62 5.280 -5.945 9.358 548 HB3 GLU 62 HB3 GLU 62 4.082 -6.010 10.615 549 HG2 GLU 62 HG2 GLU 62 3.467 -8.334 9.947 550 HG3 GLU 62 HG3 GLU 62 4.593 -8.267 8.607 551 H PHE 63 HN PHE 63 1.934 -7.700 7.580 552 HA PHE 63 HA PHE 63 -0.223 -7.726 9.515 553 HB2 PHE 63 HB2 PHE 63 -2.019 -7.527 7.862 554 HB3 PHE 63 HB3 PHE 63 -1.083 -6.063 7.881 555 HD1 PHE 63 HD1 PHE 63 0.219 -5.410 5.874 556 HD2 PHE 63 HD2 PHE 63 -1.955 -9.138 5.962 557 HE1 PHE 63 HE1 PHE 63 0.415 -5.613 3.428 558 HE2 PHE 63 HE2 PHE 63 -1.684 -9.330 3.524 559 HZ PHE 63 HZ PHE 63 -0.528 -7.564 2.263 560 H THR 64 HN THR 64 -1.627 -9.581 9.290 561 HA THR 64 HA THR 64 -0.389 -11.893 7.853 562 HB THR 64 HB THR 64 -2.304 -11.900 10.239 563 HG1 THR 64 HG1 THR 64 -0.428 -12.687 11.332 564 HG21 THR 64 HG21 THR 64 -2.428 -14.018 8.843 565 HG22 THR 64 HG22 THR 64 -1.748 -14.302 10.434 566 HG23 THR 64 HG23 THR 64 -0.682 -14.189 9.039 567 H VAL 65 HN VAL 65 -1.596 -12.734 6.206 568 HA VAL 65 HA VAL 65 -3.930 -11.409 5.261 569 HB VAL 65 HB VAL 65 -2.720 -14.112 4.520 570 HG11 VAL 65 HG11 VAL 65 -5.045 -14.176 3.708 571 HG12 VAL 65 HG12 VAL 65 -4.889 -12.555 3.032 572 HG13 VAL 65 HG13 VAL 65 -3.983 -13.898 2.348 573 HG21 VAL 65 HG21 VAL 65 -2.460 -11.429 3.104 574 HG22 VAL 65 HG22 VAL 65 -1.196 -12.192 4.072 575 HG23 VAL 65 HG23 VAL 65 -1.743 -12.951 2.589 576 H GLY 66 HN GLY 66 -5.943 -11.551 6.049 577 HA2 GLY 66 HA2 GLY 66 -7.949 -12.751 6.523 578 HA3 GLY 66 HA1 GLY 66 -7.048 -14.132 7.088 579 H GLU 67 HN GLU 67 -5.418 -11.523 8.487 580 HA GLU 67 HA GLU 67 -7.225 -11.404 10.873 581 HB2 GLU 67 HB2 GLU 67 -4.199 -11.148 10.919 582 HB3 GLU 67 HB3 GLU 67 -5.267 -11.316 12.264 583 HG2 GLU 67 HG2 GLU 67 -4.576 -13.511 10.253 584 HG3 GLU 67 HG3 GLU 67 -4.038 -13.404 11.907 585 H GLU 68 HN GLU 68 -7.317 -9.440 11.976 586 HA GLU 68 HA GLU 68 -7.049 -7.084 10.331 587 HB2 GLU 68 HB2 GLU 68 -8.227 -5.971 12.135 588 HB3 GLU 68 HB3 GLU 68 -9.030 -7.431 11.656 589 HG2 GLU 68 HG2 GLU 68 -7.946 -8.592 13.704 590 HG3 GLU 68 HG3 GLU 68 -7.389 -7.014 14.212 591 H CYS 69 HN CYS 69 -5.360 -5.753 10.226 592 HA CYS 69 HA CYS 69 -3.385 -5.527 12.420 593 HB2 CYS 69 HB2 CYS 69 -2.805 -6.442 9.573 594 HB3 CYS 69 HB3 CYS 69 -1.549 -5.836 10.641 595 HG CYS 69 HG CYS 69 -3.511 -8.450 10.993 596 H GLU 70 HN GLU 70 -2.014 -3.715 12.228 597 HA GLU 70 HA GLU 70 -3.558 -1.465 11.164 598 HB2 GLU 70 HB2 GLU 70 -2.979 -2.021 13.616 599 HB3 GLU 70 HB3 GLU 70 -1.369 -1.469 13.263 600 HG2 GLU 70 HG2 GLU 70 -2.199 0.793 12.724 601 HG3 GLU 70 HG3 GLU 70 -3.860 0.254 12.827 602 H LEU 71 HN LEU 71 -2.826 0.043 9.786 603 HA LEU 71 HA LEU 71 -0.175 -0.392 8.468 604 HB2 LEU 71 HB2 LEU 71 -2.952 0.134 7.294 605 HB3 LEU 71 HB3 LEU 71 -1.489 0.069 6.355 606 HG LEU 71 HG LEU 71 -2.616 -2.261 7.966 607 HD11 LEU 71 HD11 LEU 71 -4.034 -2.710 6.311 608 HD12 LEU 71 HD12 LEU 71 -2.751 -2.755 5.118 609 HD13 LEU 71 HD13 LEU 71 -3.557 -1.247 5.470 610 HD21 LEU 71 HD21 LEU 71 -0.873 -3.343 6.056 611 HD22 LEU 71 HD22 LEU 71 -0.529 -3.125 7.761 612 HD23 LEU 71 HD23 LEU 71 -0.029 -1.909 6.589 613 H GLU 72 HN GLU 72 1.034 1.360 8.968 614 HA GLU 72 HA GLU 72 -0.090 4.024 9.285 615 HB2 GLU 72 HB2 GLU 72 1.708 3.114 10.746 616 HB3 GLU 72 HB3 GLU 72 2.778 2.990 9.382 617 HG2 GLU 72 HG2 GLU 72 2.704 5.486 9.068 618 HG3 GLU 72 HG3 GLU 72 1.611 5.620 10.424 619 H THR 73 HN THR 73 -0.286 5.526 7.803 620 HA THR 73 HA THR 73 0.570 5.124 5.039 621 HB THR 73 HB THR 73 -0.889 7.486 6.353 622 HG1 THR 73 HG1 THR 73 -2.025 5.623 6.721 623 HG21 THR 73 HG21 THR 73 -0.854 6.551 3.427 624 HG22 THR 73 HG22 THR 73 -0.261 8.103 4.019 625 HG23 THR 73 HG23 THR 73 -1.967 7.748 4.078 626 H MET 74 HN MET 74 1.579 7.021 3.850 627 HA MET 74 HA MET 74 4.100 7.788 4.718 628 HB2 MET 74 HB2 MET 74 2.259 9.112 2.681 629 HB3 MET 74 HB3 MET 74 3.962 9.439 2.824 630 HG2 MET 74 HG2 MET 74 4.490 7.057 2.293 631 HG3 MET 74 HG3 MET 74 2.783 6.708 2.123 632 HE1 MET 74 HE1 MET 74 3.382 5.630 -0.228 633 HE2 MET 74 HE2 MET 74 4.146 6.519 -1.555 634 HE3 MET 74 HE3 MET 74 5.079 6.126 -0.106 635 H THR 75 HN THR 75 1.053 9.381 5.439 636 HA THR 75 HA THR 75 2.271 11.857 6.398 637 HB THR 75 HB THR 75 0.206 12.044 5.163 638 HG1 THR 75 HG1 THR 75 -0.666 12.381 7.800 639 HG21 THR 75 HG21 THR 75 -1.975 11.078 6.074 640 HG22 THR 75 HG22 THR 75 -1.000 10.004 7.074 641 HG23 THR 75 HG23 THR 75 -0.892 9.927 5.326 642 H GLY 76 HN GLY 76 1.530 8.771 7.782 643 HA2 GLY 76 HA2 GLY 76 2.387 8.202 9.898 644 HA3 GLY 76 HA1 GLY 76 2.090 9.806 10.530 645 H GLU 77 HN GLU 77 -0.747 9.558 9.022 646 HA GLU 77 HA GLU 77 -2.363 8.552 11.120 647 HB2 GLU 77 HB2 GLU 77 -2.847 9.155 8.167 648 HB3 GLU 77 HB3 GLU 77 -4.076 8.386 9.098 649 HG2 GLU 77 HG2 GLU 77 -4.685 10.621 9.150 650 HG3 GLU 77 HG3 GLU 77 -4.031 10.337 10.736 651 H LYS 78 HN LYS 78 -3.250 6.557 11.539 652 HA LYS 78 HA LYS 78 -2.681 4.337 9.670 653 HB2 LYS 78 HB2 LYS 78 -1.832 2.941 11.450 654 HB3 LYS 78 HB3 LYS 78 -0.879 4.384 11.275 655 HG2 LYS 78 HG2 LYS 78 -2.110 5.369 13.291 656 HG3 LYS 78 HG3 LYS 78 -2.919 3.839 13.480 657 HD2 LYS 78 HD2 LYS 78 -1.048 3.893 15.008 658 HD3 LYS 78 HD3 LYS 78 -0.709 2.701 13.785 659 HE2 LYS 78 HE2 LYS 78 0.806 4.313 12.594 660 HE3 LYS 78 HE3 LYS 78 0.427 5.556 13.767 661 HZ1 LYS 78 HZ1 LYS 78 1.698 2.980 14.354 662 HZ2 LYS 78 HZ2 LYS 78 1.455 4.209 15.432 663 HZ3 LYS 78 HZ3 LYS 78 2.480 4.410 14.145 664 H VAL 79 HN VAL 79 -3.889 2.512 9.906 665 HA VAL 79 HA VAL 79 -6.548 2.690 11.147 666 HB VAL 79 HB VAL 79 -7.450 2.114 8.764 667 HG11 VAL 79 HG11 VAL 79 -7.902 4.429 8.186 668 HG12 VAL 79 HG12 VAL 79 -8.016 4.225 9.928 669 HG13 VAL 79 HG13 VAL 79 -6.599 4.998 9.219 670 HG21 VAL 79 HG21 VAL 79 -6.251 3.111 6.834 671 HG22 VAL 79 HG22 VAL 79 -4.874 3.482 7.836 672 HG23 VAL 79 HG23 VAL 79 -5.312 1.805 7.544 673 H LYS 80 HN LYS 80 -7.476 0.674 11.417 674 HA LYS 80 HA LYS 80 -5.706 -1.648 10.842 675 HB2 LYS 80 HB2 LYS 80 -6.219 -0.792 13.244 676 HB3 LYS 80 HB3 LYS 80 -7.816 -1.455 13.032 677 HG2 LYS 80 HG2 LYS 80 -6.697 -3.719 12.569 678 HG3 LYS 80 HG3 LYS 80 -5.153 -2.934 12.732 679 HD2 LYS 80 HD2 LYS 80 -5.471 -4.043 14.766 680 HD3 LYS 80 HD3 LYS 80 -5.682 -2.347 15.112 681 HE2 LYS 80 HE2 LYS 80 -8.156 -2.611 15.141 682 HE3 LYS 80 HE3 LYS 80 -7.997 -4.272 14.602 683 HZ1 LYS 80 HZ1 LYS 80 -6.998 -3.219 17.148 684 HZ2 LYS 80 HZ2 LYS 80 -6.840 -4.777 16.623 685 HZ3 LYS 80 HZ3 LYS 80 -8.336 -4.163 16.927 686 H THR 81 HN THR 81 -6.427 -3.368 9.735 687 HA THR 81 HA THR 81 -9.197 -3.931 9.190 688 HB THR 81 HB THR 81 -8.887 -1.935 7.687 689 HG1 THR 81 HG1 THR 81 -9.487 -2.939 5.780 690 HG21 THR 81 HG21 THR 81 -6.685 -3.548 6.268 691 HG22 THR 81 HG22 THR 81 -6.427 -2.083 7.211 692 HG23 THR 81 HG23 THR 81 -7.383 -2.037 5.736 693 H VAL 82 HN VAL 82 -9.433 -5.730 7.646 694 HA VAL 82 HA VAL 82 -7.187 -7.656 7.725 695 HB VAL 82 HB VAL 82 -10.085 -7.982 6.796 696 HG11 VAL 82 HG11 VAL 82 -9.588 -10.459 6.966 697 HG12 VAL 82 HG12 VAL 82 -8.697 -9.673 5.681 698 HG13 VAL 82 HG13 VAL 82 -7.887 -10.057 7.190 699 HG21 VAL 82 HG21 VAL 82 -8.869 -8.892 9.429 700 HG22 VAL 82 HG22 VAL 82 -10.031 -7.584 9.241 701 HG23 VAL 82 HG23 VAL 82 -10.495 -9.233 8.868 702 H VAL 83 HN VAL 83 -5.824 -7.640 6.009 703 HA VAL 83 HA VAL 83 -6.635 -6.672 3.340 704 HB VAL 83 HB VAL 83 -4.022 -7.931 4.291 705 HG11 VAL 83 HG11 VAL 83 -3.029 -6.815 2.242 706 HG12 VAL 83 HG12 VAL 83 -4.141 -8.107 1.851 707 HG13 VAL 83 HG13 VAL 83 -4.647 -6.427 1.712 708 HG21 VAL 83 HG21 VAL 83 -4.295 -5.870 5.556 709 HG22 VAL 83 HG22 VAL 83 -3.081 -5.610 4.324 710 HG23 VAL 83 HG23 VAL 83 -4.702 -4.968 4.105 711 H GLN 84 HN GLN 84 -7.022 -8.050 1.598 712 HA GLN 84 HA GLN 84 -6.807 -10.997 1.968 713 HB2 GLN 84 HB2 GLN 84 -9.197 -9.339 0.998 714 HB3 GLN 84 HB3 GLN 84 -9.058 -11.031 0.634 715 HG2 GLN 84 HG2 GLN 84 -9.206 -9.890 3.466 716 HG3 GLN 84 HG3 GLN 84 -10.536 -10.585 2.585 717 HE21 GLN 84 HE21 GLN 84 -7.485 -11.330 4.231 718 HE22 GLN 84 HE22 GLN 84 -7.747 -13.054 4.331 719 H LEU 85 HN LEU 85 -6.688 -12.255 0.096 720 HA LEU 85 HA LEU 85 -5.298 -10.874 -2.103 721 HB2 LEU 85 HB2 LEU 85 -4.316 -12.747 -0.685 722 HB3 LEU 85 HB3 LEU 85 -5.381 -13.866 -1.469 723 HG LEU 85 HG LEU 85 -3.449 -12.045 -3.000 724 HD11 LEU 85 HD11 LEU 85 -1.950 -14.217 -3.011 725 HD12 LEU 85 HD12 LEU 85 -2.824 -14.602 -1.533 726 HD13 LEU 85 HD13 LEU 85 -1.898 -13.112 -1.654 727 HD21 LEU 85 HD21 LEU 85 -5.303 -14.163 -3.848 728 HD22 LEU 85 HD22 LEU 85 -3.680 -14.490 -4.395 729 HD23 LEU 85 HD23 LEU 85 -4.442 -12.967 -4.815 730 H GLU 86 HN GLU 86 -6.126 -10.813 -4.148 731 HA GLU 86 HA GLU 86 -8.934 -11.560 -4.474 732 HB2 GLU 86 HB2 GLU 86 -7.618 -9.243 -4.893 733 HB3 GLU 86 HB3 GLU 86 -7.387 -9.908 -6.466 734 HG2 GLU 86 HG2 GLU 86 -9.851 -10.192 -6.783 735 HG3 GLU 86 HG3 GLU 86 -10.135 -9.620 -5.157 736 H GLY 87 HN GLY 87 -6.849 -13.665 -4.737 737 HA2 GLY 87 HA2 GLY 87 -6.718 -15.632 -5.836 738 HA3 GLY 87 HA1 GLY 87 -8.108 -15.150 -6.783 739 H ASP 88 HN ASP 88 -5.561 -12.867 -7.279 740 HA ASP 88 HA ASP 88 -4.265 -14.311 -9.476 741 HB2 ASP 88 HB2 ASP 88 -6.459 -13.496 -10.462 742 HB3 ASP 88 HB3 ASP 88 -6.028 -11.871 -9.994 743 H ASN 89 HN ASN 89 -2.866 -13.791 -7.422 744 HA ASN 89 HA ASN 89 -1.325 -12.693 -6.387 745 HB2 ASN 89 HB2 ASN 89 0.507 -11.655 -8.206 746 HB3 ASN 89 HB3 ASN 89 0.358 -13.267 -7.655 747 HD21 ASN 89 HD21 ASN 89 -0.481 -11.164 -10.408 748 HD22 ASN 89 HD22 ASN 89 -0.712 -12.475 -11.535 749 H LYS 90 HN LYS 90 -3.580 -11.137 -6.360 750 HA LYS 90 HA LYS 90 -2.591 -8.336 -6.262 751 HB2 LYS 90 HB2 LYS 90 -5.240 -9.570 -7.163 752 HB3 LYS 90 HB3 LYS 90 -5.152 -7.885 -6.720 753 HG2 LYS 90 HG2 LYS 90 -3.822 -7.282 -8.513 754 HG3 LYS 90 HG3 LYS 90 -3.135 -8.849 -8.728 755 HD2 LYS 90 HD2 LYS 90 -4.445 -8.818 -10.581 756 HD3 LYS 90 HD3 LYS 90 -5.580 -9.550 -9.500 757 HE2 LYS 90 HE2 LYS 90 -5.550 -6.524 -9.991 758 HE3 LYS 90 HE3 LYS 90 -6.428 -7.642 -11.012 759 HZ1 LYS 90 HZ1 LYS 90 -7.667 -8.389 -9.143 760 HZ2 LYS 90 HZ2 LYS 90 -7.834 -6.768 -9.345 761 HZ3 LYS 90 HZ3 LYS 90 -6.894 -7.352 -8.133 762 H LEU 91 HN LEU 91 -3.039 -7.212 -4.375 763 HA LEU 91 HA LEU 91 -4.572 -8.633 -2.234 764 HB2 LEU 91 HB2 LEU 91 -2.209 -6.733 -2.007 765 HB3 LEU 91 HB3 LEU 91 -3.196 -7.181 -0.654 766 HG LEU 91 HG LEU 91 -1.668 -9.193 -2.330 767 HD11 LEU 91 HD11 LEU 91 0.222 -8.507 -1.378 768 HD12 LEU 91 HD12 LEU 91 -0.391 -8.903 0.217 769 HD13 LEU 91 HD13 LEU 91 -0.601 -7.289 -0.422 770 HD21 LEU 91 HD21 LEU 91 -2.726 -10.787 -1.151 771 HD22 LEU 91 HD22 LEU 91 -3.680 -9.587 -0.301 772 HD23 LEU 91 HD23 LEU 91 -2.166 -10.131 0.372 773 H VAL 92 HN VAL 92 -6.384 -7.686 -1.684 774 HA VAL 92 HA VAL 92 -6.981 -4.867 -2.417 775 HB VAL 92 HB VAL 92 -8.789 -7.093 -1.336 776 HG11 VAL 92 HG11 VAL 92 -9.793 -4.935 -0.722 777 HG12 VAL 92 HG12 VAL 92 -9.517 -4.298 -2.343 778 HG13 VAL 92 HG13 VAL 92 -10.684 -5.586 -2.075 779 HG21 VAL 92 HG21 VAL 92 -9.764 -7.218 -3.596 780 HG22 VAL 92 HG22 VAL 92 -8.577 -6.054 -4.186 781 HG23 VAL 92 HG23 VAL 92 -8.063 -7.632 -3.603 782 H THR 93 HN THR 93 -7.334 -3.365 -0.788 783 HA THR 93 HA THR 93 -8.102 -4.254 1.846 784 HB THR 93 HB THR 93 -5.665 -4.262 2.164 785 HG1 THR 93 HG1 THR 93 -6.767 -1.981 3.407 786 HG21 THR 93 HG21 THR 93 -5.631 -1.256 1.577 787 HG22 THR 93 HG22 THR 93 -4.980 -2.483 0.482 788 HG23 THR 93 HG23 THR 93 -4.278 -2.257 2.077 789 H THR 94 HN THR 94 -9.371 -2.839 2.877 790 HA THR 94 HA THR 94 -9.806 -0.107 1.837 791 HB THR 94 HB THR 94 -12.274 -0.466 2.135 792 HG1 THR 94 HG1 THR 94 -12.205 -2.222 3.540 793 HG21 THR 94 HG21 THR 94 -11.421 -0.715 -0.165 794 HG22 THR 94 HG22 THR 94 -12.776 -1.791 0.123 795 HG23 THR 94 HG23 THR 94 -11.138 -2.435 0.093 796 H PHE 95 HN PHE 95 -10.912 1.260 3.473 797 HA PHE 95 HA PHE 95 -10.704 0.232 6.282 798 HB2 PHE 95 HB2 PHE 95 -10.060 3.128 5.643 799 HB3 PHE 95 HB3 PHE 95 -9.661 2.179 7.039 800 HD1 PHE 95 HD1 PHE 95 -8.402 3.617 4.112 801 HD2 PHE 95 HD2 PHE 95 -7.974 0.104 6.554 802 HE1 PHE 95 HE1 PHE 95 -6.202 3.170 3.091 803 HE2 PHE 95 HE2 PHE 95 -5.762 -0.314 5.528 804 HZ PHE 95 HZ PHE 95 -4.890 1.205 3.801 805 H LYS 96 HN LYS 96 -11.926 2.948 4.251 806 HA LYS 96 HA LYS 96 -14.628 2.706 5.422 807 HB2 LYS 96 HB2 LYS 96 -12.873 5.216 5.468 808 HB3 LYS 96 HB3 LYS 96 -14.612 5.288 5.535 809 HG2 LYS 96 HG2 LYS 96 -14.679 3.949 7.591 810 HG3 LYS 96 HG3 LYS 96 -12.939 3.807 7.592 811 HD2 LYS 96 HD2 LYS 96 -12.637 6.190 7.936 812 HD3 LYS 96 HD3 LYS 96 -14.311 6.530 7.611 813 HE2 LYS 96 HE2 LYS 96 -13.873 6.659 10.032 814 HE3 LYS 96 HE3 LYS 96 -15.003 5.363 9.695 815 HZ1 LYS 96 HZ1 LYS 96 -12.125 5.030 10.159 816 HZ2 LYS 96 HZ2 LYS 96 -13.192 3.813 9.846 817 HZ3 LYS 96 HZ3 LYS 96 -13.331 4.694 11.232 818 H ASN 97 HN ASN 97 -12.711 4.826 3.224 819 HA ASN 97 HA ASN 97 -14.539 4.127 0.965 820 HB2 ASN 97 HB2 ASN 97 -14.596 6.402 0.247 821 HB3 ASN 97 HB3 ASN 97 -15.119 6.383 1.903 822 HD21 ASN 97 HD21 ASN 97 -14.033 7.728 3.384 823 HD22 ASN 97 HD22 ASN 97 -12.630 8.678 2.968 824 H ILE 98 HN ILE 98 -11.245 4.684 2.095 825 HA ILE 98 HA ILE 98 -10.084 4.959 -0.497 826 HB ILE 98 HB ILE 98 -8.785 4.181 2.123 827 HG12 ILE 98 HG12 ILE 98 -8.861 6.880 0.793 828 HG13 ILE 98 HG13 ILE 98 -9.921 6.454 2.105 829 HG21 ILE 98 HG21 ILE 98 -6.625 4.927 1.068 830 HG22 ILE 98 HG22 ILE 98 -7.270 3.538 0.244 831 HG23 ILE 98 HG23 ILE 98 -7.460 5.137 -0.465 832 HD11 ILE 98 HD11 ILE 98 -8.250 7.520 3.310 833 HD12 ILE 98 HD12 ILE 98 -7.591 5.889 3.364 834 HD13 ILE 98 HD13 ILE 98 -6.976 7.055 2.194 835 H LYS 99 HN LYS 99 -10.521 3.305 -1.891 836 HA LYS 99 HA LYS 99 -9.952 0.500 -1.238 837 HB2 LYS 99 HB2 LYS 99 -10.397 1.926 -3.906 838 HB3 LYS 99 HB3 LYS 99 -10.202 0.207 -3.710 839 HG2 LYS 99 HG2 LYS 99 -12.248 0.092 -2.305 840 HG3 LYS 99 HG3 LYS 99 -12.483 1.804 -2.460 841 HD2 LYS 99 HD2 LYS 99 -12.186 0.636 -5.138 842 HD3 LYS 99 HD3 LYS 99 -13.330 -0.306 -4.236 843 HE2 LYS 99 HE2 LYS 99 -14.519 1.438 -5.463 844 HE3 LYS 99 HE3 LYS 99 -14.674 1.762 -3.746 845 HZ1 LYS 99 HZ1 LYS 99 -14.139 3.720 -4.983 846 HZ2 LYS 99 HZ2 LYS 99 -12.753 3.043 -5.565 847 HZ3 LYS 99 HZ3 LYS 99 -12.903 3.364 -3.953 848 H SER 100 HN SER 100 -8.135 -0.633 -1.914 849 HA SER 100 HA SER 100 -5.973 0.708 -3.326 850 HB2 SER 100 HB2 SER 100 -5.444 1.314 -0.981 851 HB3 SER 100 HB3 SER 100 -5.596 -0.358 -0.492 852 HG SER 100 HG SER 100 -3.434 0.249 -0.858 853 H VAL 101 HN VAL 101 -5.274 -0.667 -4.781 854 HA VAL 101 HA VAL 101 -5.564 -3.611 -4.379 855 HB VAL 101 HB VAL 101 -6.082 -2.012 -6.932 856 HG11 VAL 101 HG11 VAL 101 -5.013 -4.165 -7.541 857 HG12 VAL 101 HG12 VAL 101 -6.126 -5.042 -6.496 858 HG13 VAL 101 HG13 VAL 101 -6.715 -4.225 -7.938 859 HG21 VAL 101 HG21 VAL 101 -8.400 -2.908 -6.783 860 HG22 VAL 101 HG22 VAL 101 -8.033 -3.594 -5.205 861 HG23 VAL 101 HG23 VAL 101 -8.024 -1.848 -5.441 862 H THR 102 HN THR 102 -3.486 -4.023 -3.888 863 HA THR 102 HA THR 102 -1.212 -3.098 -5.528 864 HB THR 102 HB THR 102 -1.472 -5.192 -3.313 865 HG1 THR 102 HG1 THR 102 -1.719 -3.084 -2.616 866 HG21 THR 102 HG21 THR 102 1.039 -5.090 -3.152 867 HG22 THR 102 HG22 THR 102 1.084 -4.155 -4.644 868 HG23 THR 102 HG23 THR 102 0.518 -5.826 -4.650 869 H GLU 103 HN GLU 103 -0.152 -4.494 -7.016 870 HA GLU 103 HA GLU 103 -1.348 -7.089 -7.721 871 HB2 GLU 103 HB2 GLU 103 -2.726 -5.458 -8.927 872 HB3 GLU 103 HB3 GLU 103 -1.331 -4.625 -9.498 873 HG2 GLU 103 HG2 GLU 103 -0.669 -6.474 -10.954 874 HG3 GLU 103 HG3 GLU 103 -1.850 -7.545 -10.239 875 H LEU 104 HN LEU 104 0.278 -8.418 -7.788 876 HA LEU 104 HA LEU 104 2.988 -7.565 -8.610 877 HB2 LEU 104 HB2 LEU 104 2.778 -8.744 -6.482 878 HB3 LEU 104 HB3 LEU 104 1.812 -9.993 -7.202 879 HG LEU 104 HG LEU 104 3.785 -10.741 -8.563 880 HD11 LEU 104 HD11 LEU 104 6.058 -9.951 -7.794 881 HD12 LEU 104 HD12 LEU 104 5.271 -8.649 -6.916 882 HD13 LEU 104 HD13 LEU 104 5.151 -8.727 -8.675 883 HD21 LEU 104 HD21 LEU 104 4.047 -12.245 -6.928 884 HD22 LEU 104 HD22 LEU 104 3.284 -11.176 -5.771 885 HD23 LEU 104 HD23 LEU 104 5.021 -11.118 -6.001 886 H ASN 105 HN ASN 105 3.612 -7.890 -10.639 887 HA ASN 105 HA ASN 105 2.740 -10.306 -12.085 888 HB2 ASN 105 HB2 ASN 105 2.630 -7.420 -13.076 889 HB3 ASN 105 HB3 ASN 105 3.103 -8.656 -14.207 890 HD21 ASN 105 HD21 ASN 105 0.413 -7.894 -11.936 891 HD22 ASN 105 HD22 ASN 105 -0.803 -8.658 -12.922 892 H GLY 106 HN GLY 106 4.682 -10.824 -10.719 893 HA2 GLY 106 HA2 GLY 106 6.832 -11.529 -10.607 894 HA3 GLY 106 HA1 GLY 106 7.011 -11.143 -12.311 895 H ASP 107 HN ASP 107 8.245 -9.374 -12.860 896 HA ASP 107 HA ASP 107 9.563 -7.864 -10.811 897 HB2 ASP 107 HB2 ASP 107 9.811 -7.653 -13.833 898 HB3 ASP 107 HB3 ASP 107 10.741 -6.698 -12.704 899 H ILE 108 HN ILE 108 6.539 -7.353 -12.292 900 HA ILE 108 HA ILE 108 6.713 -4.383 -12.100 901 HB ILE 108 HB ILE 108 4.516 -6.198 -13.186 902 HG12 ILE 108 HG12 ILE 108 6.342 -6.536 -14.642 903 HG13 ILE 108 HG13 ILE 108 5.212 -5.517 -15.457 904 HG21 ILE 108 HG21 ILE 108 3.621 -4.139 -14.296 905 HG22 ILE 108 HG22 ILE 108 3.512 -4.061 -12.556 906 HG23 ILE 108 HG23 ILE 108 4.776 -3.166 -13.392 907 HD11 ILE 108 HD11 ILE 108 6.853 -3.552 -14.459 908 HD12 ILE 108 HD12 ILE 108 7.993 -4.894 -14.486 909 HD13 ILE 108 HD13 ILE 108 7.195 -4.388 -15.968 910 H ILE 109 HN ILE 109 5.638 -3.269 -10.566 911 HA ILE 109 HA ILE 109 3.568 -4.603 -8.891 912 HB ILE 109 HB ILE 109 5.728 -2.665 -8.036 913 HG12 ILE 109 HG12 ILE 109 6.441 -4.962 -8.025 914 HG13 ILE 109 HG13 ILE 109 6.455 -4.250 -6.442 915 HG21 ILE 109 HG21 ILE 109 4.670 -2.692 -5.724 916 HG22 ILE 109 HG22 ILE 109 3.737 -1.799 -6.901 917 HG23 ILE 109 HG23 ILE 109 3.231 -3.417 -6.438 918 HD11 ILE 109 HD11 ILE 109 4.200 -5.480 -6.005 919 HD12 ILE 109 HD12 ILE 109 4.496 -6.318 -7.528 920 HD13 ILE 109 HD13 ILE 109 5.624 -6.486 -6.193 921 H THR 110 HN THR 110 1.778 -3.824 -9.821 922 HA THR 110 HA THR 110 1.459 -0.903 -10.346 923 HB THR 110 HB THR 110 -0.244 -3.378 -10.974 924 HG1 THR 110 HG1 THR 110 0.904 -1.464 -12.683 925 HG21 THR 110 HG21 THR 110 -1.879 -1.564 -10.495 926 HG22 THR 110 HG22 THR 110 -1.785 -1.833 -12.221 927 HG23 THR 110 HG23 THR 110 -0.968 -0.444 -11.507 928 H ASN 111 HN ASN 111 0.293 0.323 -8.864 929 HA ASN 111 HA ASN 111 -1.362 -1.027 -6.840 930 HB2 ASN 111 HB2 ASN 111 0.864 -0.882 -5.799 931 HB3 ASN 111 HB3 ASN 111 0.975 0.816 -6.179 932 HD21 ASN 111 HD21 ASN 111 -1.911 -0.961 -4.829 933 HD22 ASN 111 HD22 ASN 111 -1.929 -0.073 -3.330 934 H THR 112 HN THR 112 -3.217 -0.249 -7.676 935 HA THR 112 HA THR 112 -3.603 2.659 -8.098 936 HB THR 112 HB THR 112 -5.478 0.260 -8.440 937 HG1 THR 112 HG1 THR 112 -3.830 0.377 -9.953 938 HG21 THR 112 HG21 THR 112 -6.899 2.259 -8.025 939 HG22 THR 112 HG22 THR 112 -6.940 1.869 -9.733 940 HG23 THR 112 HG23 THR 112 -5.946 3.207 -9.164 941 H MET 113 HN MET 113 -4.770 3.923 -6.699 942 HA MET 113 HA MET 113 -6.152 2.712 -4.377 943 HB2 MET 113 HB2 MET 113 -4.269 5.122 -4.317 944 HB3 MET 113 HB3 MET 113 -5.309 4.648 -3.010 945 HG2 MET 113 HG2 MET 113 -4.087 2.643 -2.566 946 HG3 MET 113 HG3 MET 113 -3.211 2.710 -4.070 947 HE1 MET 113 HE1 MET 113 -2.365 5.653 -0.592 948 HE2 MET 113 HE2 MET 113 -3.731 5.891 -1.688 949 HE3 MET 113 HE3 MET 113 -3.708 4.500 -0.590 950 H THR 114 HN THR 114 -7.929 4.037 -3.576 951 HA THR 114 HA THR 114 -8.784 6.281 -5.296 952 HB THR 114 HB THR 114 -10.598 3.851 -4.934 953 HG1 THR 114 HG1 THR 114 -9.220 4.640 -7.248 954 HG21 THR 114 HG21 THR 114 -10.889 6.407 -6.587 955 HG22 THR 114 HG22 THR 114 -11.917 5.916 -5.254 956 HG23 THR 114 HG23 THR 114 -11.942 5.004 -6.754 957 H LEU 115 HN LEU 115 -8.527 7.606 -3.493 958 HA LEU 115 HA LEU 115 -10.315 7.266 -1.167 959 HB2 LEU 115 HB2 LEU 115 -7.991 8.155 -0.964 960 HB3 LEU 115 HB3 LEU 115 -8.385 9.528 -1.939 961 HG LEU 115 HG LEU 115 -9.779 8.866 0.698 962 HD11 LEU 115 HD11 LEU 115 -8.214 9.986 1.928 963 HD12 LEU 115 HD12 LEU 115 -7.793 11.104 0.634 964 HD13 LEU 115 HD13 LEU 115 -7.139 9.478 0.640 965 HD21 LEU 115 HD21 LEU 115 -11.272 10.425 -0.028 966 HD22 LEU 115 HD22 LEU 115 -10.146 11.175 -1.159 967 HD23 LEU 115 HD23 LEU 115 -10.070 11.561 0.542 968 H GLY 116 HN GLY 116 -12.431 7.600 -1.692 969 HA2 GLY 116 HA2 GLY 116 -14.347 8.668 -2.273 970 HA3 GLY 116 HA1 GLY 116 -13.439 10.164 -2.199 971 H ASP 117 HN ASP 117 -12.772 11.156 -4.106 972 HA ASP 117 HA ASP 117 -13.710 10.045 -6.704 973 HB2 ASP 117 HB2 ASP 117 -14.691 12.287 -5.583 974 HB3 ASP 117 HB3 ASP 117 -13.177 12.979 -6.076 975 H ILE 118 HN ILE 118 -10.864 10.438 -4.947 976 HA ILE 118 HA ILE 118 -9.213 11.487 -7.181 977 HB ILE 118 HB ILE 118 -8.559 11.004 -4.243 978 HG12 ILE 118 HG12 ILE 118 -8.806 13.769 -5.424 979 HG13 ILE 118 HG13 ILE 118 -10.251 12.956 -4.936 980 HG21 ILE 118 HG21 ILE 118 -6.907 12.364 -6.424 981 HG22 ILE 118 HG22 ILE 118 -6.551 12.461 -4.713 982 HG23 ILE 118 HG23 ILE 118 -6.468 10.912 -5.528 983 HD11 ILE 118 HD11 ILE 118 -9.021 14.448 -3.179 984 HD12 ILE 118 HD12 ILE 118 -9.742 12.928 -2.672 985 HD13 ILE 118 HD13 ILE 118 -8.003 13.031 -2.922 986 H VAL 119 HN VAL 119 -8.749 9.820 -8.532 987 HA VAL 119 HA VAL 119 -8.169 7.118 -7.528 988 HB VAL 119 HB VAL 119 -8.329 8.156 -10.393 989 HG11 VAL 119 HG11 VAL 119 -7.112 5.982 -10.279 990 HG12 VAL 119 HG12 VAL 119 -8.406 5.295 -9.306 991 HG13 VAL 119 HG13 VAL 119 -8.697 5.749 -10.982 992 HG21 VAL 119 HG21 VAL 119 -10.525 8.499 -9.305 993 HG22 VAL 119 HG22 VAL 119 -10.595 7.220 -10.499 994 HG23 VAL 119 HG23 VAL 119 -10.539 6.812 -8.793 995 H PHE 120 HN PHE 120 -6.154 7.559 -6.476 996 HA PHE 120 HA PHE 120 -3.826 8.513 -7.894 997 HB2 PHE 120 HB2 PHE 120 -4.056 8.853 -5.526 998 HB3 PHE 120 HB3 PHE 120 -4.265 7.167 -5.205 999 HD1 PHE 120 HD1 PHE 120 -2.277 5.671 -5.027 1000 HD2 PHE 120 HD2 PHE 120 -1.826 9.767 -6.293 1001 HE1 PHE 120 HE1 PHE 120 0.149 5.513 -4.711 1002 HE2 PHE 120 HE2 PHE 120 0.613 9.543 -6.022 1003 HZ PHE 120 HZ PHE 120 1.593 7.462 -5.185 1004 H LYS 121 HN LYS 121 -2.028 7.338 -8.621 1005 HA LYS 121 HA LYS 121 -2.121 4.395 -8.494 1006 HB2 LYS 121 HB2 LYS 121 -1.702 6.016 -11.054 1007 HB3 LYS 121 HB3 LYS 121 -0.991 4.463 -10.842 1008 HG2 LYS 121 HG2 LYS 121 -2.741 3.624 -11.812 1009 HG3 LYS 121 HG3 LYS 121 -3.472 3.672 -10.241 1010 HD2 LYS 121 HD2 LYS 121 -4.647 5.757 -10.751 1011 HD3 LYS 121 HD3 LYS 121 -3.772 5.961 -12.243 1012 HE2 LYS 121 HE2 LYS 121 -5.713 3.657 -11.657 1013 HE3 LYS 121 HE3 LYS 121 -6.092 5.084 -12.606 1014 HZ1 LYS 121 HZ1 LYS 121 -4.027 3.113 -13.268 1015 HZ2 LYS 121 HZ2 LYS 121 -4.369 4.464 -14.144 1016 HZ3 LYS 121 HZ3 LYS 121 -5.496 3.267 -13.998 1017 H ARG 122 HN ARG 122 -0.168 3.404 -8.573 1018 HA ARG 122 HA ARG 122 2.293 4.960 -8.759 1019 HB2 ARG 122 HB2 ARG 122 1.247 3.927 -6.233 1020 HB3 ARG 122 HB3 ARG 122 2.626 2.966 -6.653 1021 HG2 ARG 122 HG2 ARG 122 3.974 4.963 -6.981 1022 HG3 ARG 122 HG3 ARG 122 2.675 6.044 -6.580 1023 HD2 ARG 122 HD2 ARG 122 3.783 5.881 -4.441 1024 HD3 ARG 122 HD3 ARG 122 2.597 4.610 -4.363 1025 HE ARG 122 HE ARG 122 5.114 3.698 -5.439 1026 HH11 ARG 122 HH11 ARG 122 3.086 3.965 -2.517 1027 HH12 ARG 122 HH12 ARG 122 3.958 2.717 -1.668 1028 HH21 ARG 122 HH21 ARG 122 6.170 2.032 -4.336 1029 HH22 ARG 122 HH22 ARG 122 5.752 1.648 -2.693 1030 H ILE 123 HN ILE 123 3.779 3.891 -9.889 1031 HA ILE 123 HA ILE 123 3.407 1.002 -10.540 1032 HB ILE 123 HB ILE 123 4.417 3.236 -12.382 1033 HG12 ILE 123 HG12 ILE 123 2.349 2.189 -13.775 1034 HG13 ILE 123 HG13 ILE 123 1.735 1.845 -12.192 1035 HG21 ILE 123 HG21 ILE 123 4.520 1.469 -14.138 1036 HG22 ILE 123 HG22 ILE 123 5.622 1.105 -12.836 1037 HG23 ILE 123 HG23 ILE 123 4.087 0.248 -12.946 1038 HD11 ILE 123 HD11 ILE 123 2.578 4.621 -13.223 1039 HD12 ILE 123 HD12 ILE 123 0.927 4.029 -13.128 1040 HD13 ILE 123 HD13 ILE 123 1.831 4.331 -11.659 1041 H SER 124 HN SER 124 5.195 -0.172 -10.145 1042 HA SER 124 HA SER 124 7.825 1.099 -9.657 1043 HB2 SER 124 HB2 SER 124 6.191 -0.619 -7.711 1044 HB3 SER 124 HB3 SER 124 7.929 -0.420 -7.558 1045 HG SER 124 HG SER 124 5.987 1.630 -7.558 1046 H LYS 125 HN LYS 125 9.605 -0.444 -9.781 1047 HA LYS 125 HA LYS 125 9.002 -3.035 -11.055 1048 HB2 LYS 125 HB2 LYS 125 9.275 -1.199 -12.838 1049 HB3 LYS 125 HB3 LYS 125 10.910 -1.009 -12.283 1050 HG2 LYS 125 HG2 LYS 125 10.887 -3.742 -12.812 1051 HG3 LYS 125 HG3 LYS 125 9.584 -3.234 -13.822 1052 HD2 LYS 125 HD2 LYS 125 11.469 -3.194 -15.231 1053 HD3 LYS 125 HD3 LYS 125 11.181 -1.512 -14.864 1054 HE2 LYS 125 HE2 LYS 125 12.990 -1.566 -13.112 1055 HE3 LYS 125 HE3 LYS 125 13.245 -3.272 -13.432 1056 HZ1 LYS 125 HZ1 LYS 125 13.611 -1.113 -15.378 1057 HZ2 LYS 125 HZ2 LYS 125 13.859 -2.717 -15.665 1058 HZ3 LYS 125 HZ3 LYS 125 14.810 -1.919 -14.580 1059 H ARG 126 HN ARG 126 10.545 -4.559 -10.817 1060 HA ARG 126 HA ARG 126 11.957 -4.835 -8.525 1061 HB2 ARG 126 HB2 ARG 126 11.105 -6.506 -10.223 1062 HB3 ARG 126 HB3 ARG 126 12.479 -6.149 -11.220 1063 HG2 ARG 126 HG2 ARG 126 13.008 -8.193 -10.169 1064 HG3 ARG 126 HG3 ARG 126 13.949 -7.007 -9.321 1065 HD2 ARG 126 HD2 ARG 126 12.488 -7.106 -7.383 1066 HD3 ARG 126 HD3 ARG 126 11.201 -7.877 -8.275 1067 HE ARG 126 HE ARG 126 12.242 -9.901 -7.895 1068 HH11 ARG 126 HH11 ARG 126 14.678 -7.383 -7.262 1069 HH12 ARG 126 HH12 ARG 126 15.880 -8.523 -6.717 1070 HH21 ARG 126 HH21 ARG 126 13.807 -11.355 -7.146 1071 HH22 ARG 126 HH22 ARG 126 15.372 -10.790 -6.637 1072 H ILE 127 HN ILE 127 14.037 -4.632 -7.780 1073 HA ILE 127 HA ILE 127 16.072 -3.245 -9.469 1074 HB ILE 127 HB ILE 127 16.230 -3.652 -6.455 1075 HG12 ILE 127 HG12 ILE 127 14.936 -1.294 -7.849 1076 HG13 ILE 127 HG13 ILE 127 14.113 -2.446 -6.848 1077 HG21 ILE 127 HG21 ILE 127 18.345 -2.986 -7.643 1078 HG22 ILE 127 HG22 ILE 127 17.524 -1.584 -8.314 1079 HG23 ILE 127 HG23 ILE 127 17.809 -1.714 -6.586 1080 HD11 ILE 127 HD11 ILE 127 16.077 -1.557 -5.088 1081 HD12 ILE 127 HD12 ILE 127 15.729 -0.112 -6.014 1082 HD13 ILE 127 HD13 ILE 127 14.429 -0.945 -5.171 Start of MODEL 4 1 H1 HIS -7 HN HIS -7 26.829 -11.330 -9.374 2 HA HIS -7 HA HIS -7 24.249 -11.277 -8.796 3 HB2 HIS -7 HB2 HIS -7 25.483 -12.560 -11.400 4 HB3 HIS -7 HB3 HIS -7 23.803 -12.120 -11.288 5 HD1 HIS -7 HD1 HIS -7 26.448 -9.635 -10.075 6 HD2 HIS -7 HD2 HIS -7 23.886 -10.248 -13.375 7 HE1 HIS -7 HE1 HIS -7 26.481 -7.567 -11.501 8 H HIS -6 HN HIS -6 22.479 -12.553 -8.499 9 HA HIS -6 HA HIS -6 22.727 -15.483 -8.647 10 HB2 HIS -6 HB2 HIS -6 22.589 -13.891 -6.086 11 HB3 HIS -6 HB3 HIS -6 21.479 -15.218 -6.204 12 HD1 HIS -6 HD1 HIS -6 25.102 -15.341 -7.458 13 HD2 HIS -6 HD2 HIS -6 22.637 -17.077 -4.514 14 HE1 HIS -6 HE1 HIS -6 26.422 -17.151 -6.280 15 H HIS -5 HN HIS -5 21.068 -16.140 -9.752 16 HA HIS -5 HA HIS -5 18.606 -14.683 -10.140 17 HB2 HIS -5 HB2 HIS -5 17.984 -16.857 -11.326 18 HB3 HIS -5 HB3 HIS -5 19.392 -16.045 -11.940 19 HD1 HIS -5 HD1 HIS -5 21.383 -17.509 -12.333 20 HD2 HIS -5 HD2 HIS -5 18.827 -19.183 -9.424 21 HE1 HIS -5 HE1 HIS -5 22.299 -19.771 -11.669 22 H HIS -4 HN HIS -4 16.469 -15.520 -9.617 23 HA HIS -4 HA HIS -4 16.328 -17.006 -7.014 24 HB2 HIS -4 HB2 HIS -4 14.499 -14.814 -8.105 25 HB3 HIS -4 HB3 HIS -4 14.240 -15.712 -6.636 26 HD1 HIS -4 HD1 HIS -4 17.767 -15.033 -6.496 27 HD2 HIS -4 HD2 HIS -4 14.319 -12.671 -5.933 28 HE1 HIS -4 HE1 HIS -4 18.423 -12.967 -5.197 29 H HIS -3 HN HIS -3 15.324 -18.915 -7.141 30 HA HIS -3 HA HIS -3 13.318 -19.436 -9.285 31 HB2 HIS -3 HB2 HIS -3 15.533 -21.318 -8.329 32 HB3 HIS -3 HB3 HIS -3 14.228 -21.772 -9.389 33 HD1 HIS -3 HD1 HIS -3 14.610 -18.965 -11.166 34 HD2 HIS -3 HD2 HIS -3 17.472 -21.950 -10.346 35 HE1 HIS -3 HE1 HIS -3 16.379 -18.890 -12.969 36 H HIS -2 HN HIS -2 11.644 -20.698 -8.728 37 HA HIS -2 HA HIS -2 11.441 -22.233 -6.322 38 HB2 HIS -2 HB2 HIS -2 10.061 -19.527 -6.455 39 HB3 HIS -2 HB3 HIS -2 9.136 -20.843 -5.814 40 HD1 HIS -2 HD1 HIS -2 11.405 -22.273 -4.112 41 HD2 HIS -2 HD2 HIS -2 10.460 -18.162 -4.015 42 HE1 HIS -2 HE1 HIS -2 12.133 -21.341 -1.879 43 H VAL -1 HN VAL -1 10.043 -20.880 -9.253 44 HA VAL -1 HA VAL -1 8.540 -21.494 -10.724 45 HB VAL -1 HB VAL -1 8.653 -24.361 -9.668 46 HG11 VAL -1 HG11 VAL -1 7.858 -23.288 -12.418 47 HG12 VAL -1 HG12 VAL -1 8.059 -24.987 -12.017 48 HG13 VAL -1 HG13 VAL -1 6.773 -24.070 -11.279 49 HG21 VAL -1 HG21 VAL -1 10.964 -23.689 -10.198 50 HG22 VAL -1 HG22 VAL -1 10.375 -24.778 -11.432 51 HG23 VAL -1 HG23 VAL -1 10.452 -23.051 -11.759 52 H ALA 0 HN ALA 0 7.561 -20.101 -8.832 53 HA ALA 0 HA ALA 0 4.823 -20.837 -8.433 54 HB1 ALA 0 HB1 ALA 0 4.947 -20.832 -5.898 55 HB2 ALA 0 HB2 ALA 0 5.787 -22.217 -6.574 56 HB3 ALA 0 HB3 ALA 0 6.705 -20.832 -5.991 57 H MET 1 HN MET 1 3.604 -19.060 -7.653 58 HA MET 1 HA MET 1 4.810 -16.425 -7.928 59 HB2 MET 1 HB2 MET 1 2.027 -17.565 -7.591 60 HB3 MET 1 HB3 MET 1 2.272 -15.952 -7.004 61 HG2 MET 1 HG2 MET 1 3.031 -16.777 -9.827 62 HG3 MET 1 HG3 MET 1 1.494 -16.062 -9.402 63 HE1 MET 1 HE1 MET 1 2.647 -14.530 -11.598 64 HE2 MET 1 HE2 MET 1 4.001 -13.426 -11.316 65 HE3 MET 1 HE3 MET 1 4.275 -15.175 -11.329 66 H SER 2 HN SER 2 5.321 -14.996 -6.405 67 HA SER 2 HA SER 2 4.410 -15.078 -3.729 68 HB2 SER 2 HB2 SER 2 6.166 -16.857 -3.474 69 HB3 SER 2 HB3 SER 2 7.366 -15.795 -4.179 70 HG SER 2 HG SER 2 5.950 -15.430 -1.751 71 H PHE 3 HN PHE 3 4.709 -13.094 -2.751 72 HA PHE 3 HA PHE 3 5.262 -10.863 -4.495 73 HB2 PHE 3 HB2 PHE 3 4.321 -11.132 -1.624 74 HB3 PHE 3 HB3 PHE 3 4.570 -9.585 -2.375 75 HD1 PHE 3 HD1 PHE 3 2.541 -12.702 -2.580 76 HD2 PHE 3 HD2 PHE 3 3.047 -8.669 -4.035 77 HE1 PHE 3 HE1 PHE 3 0.345 -12.795 -3.651 78 HE2 PHE 3 HE2 PHE 3 0.804 -8.781 -5.055 79 HZ PHE 3 HZ PHE 3 -0.557 -10.818 -4.818 80 H SER 4 HN SER 4 7.484 -12.662 -2.812 81 HA SER 4 HA SER 4 9.066 -10.841 -1.414 82 HB2 SER 4 HB2 SER 4 9.673 -13.489 -2.809 83 HB3 SER 4 HB3 SER 4 10.866 -12.642 -1.843 84 HG SER 4 HG SER 4 8.499 -13.859 -1.030 85 H GLY 5 HN GLY 5 10.426 -9.222 -1.963 86 HA2 GLY 5 HA2 GLY 5 12.455 -9.151 -3.762 87 HA3 GLY 5 HA1 GLY 5 11.096 -8.656 -4.768 88 H LYS 6 HN LYS 6 12.973 -6.830 -4.570 89 HA LYS 6 HA LYS 6 11.830 -4.669 -2.867 90 HB2 LYS 6 HB2 LYS 6 14.155 -5.472 -2.103 91 HB3 LYS 6 HB3 LYS 6 14.749 -5.016 -3.672 92 HG2 LYS 6 HG2 LYS 6 13.532 -2.638 -2.909 93 HG3 LYS 6 HG3 LYS 6 13.897 -3.305 -1.354 94 HD2 LYS 6 HD2 LYS 6 15.920 -2.900 -3.579 95 HD3 LYS 6 HD3 LYS 6 15.658 -1.763 -2.291 96 HE2 LYS 6 HE2 LYS 6 16.702 -4.634 -1.951 97 HE3 LYS 6 HE3 LYS 6 17.674 -3.177 -1.944 98 HZ1 LYS 6 HZ1 LYS 6 17.254 -3.828 0.244 99 HZ2 LYS 6 HZ2 LYS 6 15.633 -3.908 0.026 100 HZ3 LYS 6 HZ3 LYS 6 16.402 -2.439 -0.012 101 H TYR 7 HN TYR 7 11.351 -2.819 -3.981 102 HA TYR 7 HA TYR 7 11.752 -2.763 -6.929 103 HB2 TYR 7 HB2 TYR 7 9.107 -2.208 -5.494 104 HB3 TYR 7 HB3 TYR 7 9.356 -2.406 -7.199 105 HD1 TYR 7 HD1 TYR 7 9.038 -4.099 -3.909 106 HD2 TYR 7 HD2 TYR 7 9.346 -4.677 -8.171 107 HE1 TYR 7 HE1 TYR 7 8.390 -6.469 -3.637 108 HE2 TYR 7 HE2 TYR 7 8.708 -7.053 -7.897 109 HH TYR 7 HH TYR 7 7.968 -8.489 -4.692 110 H GLN 8 HN GLN 8 12.335 -0.790 -7.691 111 HA GLN 8 HA GLN 8 12.169 1.612 -5.992 112 HB2 GLN 8 HB2 GLN 8 13.423 2.674 -7.707 113 HB3 GLN 8 HB3 GLN 8 14.172 1.160 -7.374 114 HG2 GLN 8 HG2 GLN 8 12.312 0.765 -9.625 115 HG3 GLN 8 HG3 GLN 8 13.197 2.238 -9.882 116 HE21 GLN 8 HE21 GLN 8 13.220 -1.056 -10.434 117 HE22 GLN 8 HE22 GLN 8 14.919 -1.259 -10.769 118 H LEU 9 HN LEU 9 10.874 3.484 -6.587 119 HA LEU 9 HA LEU 9 8.411 2.972 -8.035 120 HB2 LEU 9 HB2 LEU 9 9.398 4.953 -6.202 121 HB3 LEU 9 HB3 LEU 9 9.000 5.819 -7.638 122 HG LEU 9 HG LEU 9 7.156 3.959 -6.120 123 HD11 LEU 9 HD11 LEU 9 6.262 6.736 -6.126 124 HD12 LEU 9 HD12 LEU 9 7.888 6.638 -5.491 125 HD13 LEU 9 HD13 LEU 9 6.611 5.673 -4.774 126 HD21 LEU 9 HD21 LEU 9 6.766 5.348 -8.757 127 HD22 LEU 9 HD22 LEU 9 5.403 5.348 -7.649 128 HD23 LEU 9 HD23 LEU 9 6.095 3.835 -8.155 129 H GLN 10 HN GLN 10 7.775 3.816 -10.045 130 HA GLN 10 HA GLN 10 9.956 4.780 -11.853 131 HB2 GLN 10 HB2 GLN 10 7.621 2.920 -12.518 132 HB3 GLN 10 HB3 GLN 10 8.749 3.557 -13.663 133 HG2 GLN 10 HG2 GLN 10 9.585 1.733 -11.331 134 HG3 GLN 10 HG3 GLN 10 9.128 1.160 -12.908 135 HE21 GLN 10 HE21 GLN 10 11.582 3.120 -11.183 136 HE22 GLN 10 HE22 GLN 10 12.813 2.940 -12.407 137 H SER 11 HN SER 11 6.354 4.593 -11.578 138 HA SER 11 HA SER 11 6.118 7.447 -12.359 139 HB2 SER 11 HB2 SER 11 5.064 4.998 -13.882 140 HB3 SER 11 HB3 SER 11 4.286 6.561 -14.021 141 HG SER 11 HG SER 11 5.858 6.260 -15.614 142 H GLN 12 HN GLN 12 4.010 8.336 -12.015 143 HA GLN 12 HA GLN 12 2.136 6.857 -10.295 144 HB2 GLN 12 HB2 GLN 12 3.243 9.632 -9.545 145 HB3 GLN 12 HB3 GLN 12 2.022 8.731 -8.710 146 HG2 GLN 12 HG2 GLN 12 3.644 8.128 -7.296 147 HG3 GLN 12 HG3 GLN 12 4.041 6.918 -8.468 148 HE21 GLN 12 HE21 GLN 12 5.158 9.657 -6.699 149 HE22 GLN 12 HE22 GLN 12 6.683 9.881 -7.509 150 H GLU 13 HN GLU 13 0.006 7.697 -10.414 151 HA GLU 13 HA GLU 13 -0.428 10.194 -11.973 152 HB2 GLU 13 HB2 GLU 13 -2.346 7.839 -12.077 153 HB3 GLU 13 HB3 GLU 13 -2.518 9.360 -12.866 154 HG2 GLU 13 HG2 GLU 13 -1.784 8.218 -14.684 155 HG3 GLU 13 HG3 GLU 13 -0.210 8.661 -14.083 156 H ASN 14 HN ASN 14 -2.118 11.467 -11.232 157 HA ASN 14 HA ASN 14 -3.073 12.655 -9.710 158 HB2 ASN 14 HB2 ASN 14 -4.281 9.942 -8.967 159 HB3 ASN 14 HB3 ASN 14 -4.788 11.377 -8.127 160 HD21 ASN 14 HD21 ASN 14 -6.001 9.455 -10.318 161 HD22 ASN 14 HD22 ASN 14 -6.839 10.613 -11.324 162 H PHE 15 HN PHE 15 -0.390 11.904 -9.111 163 HA PHE 15 HA PHE 15 0.019 11.192 -6.417 164 HB2 PHE 15 HB2 PHE 15 1.767 10.981 -8.097 165 HB3 PHE 15 HB3 PHE 15 1.823 12.700 -8.358 166 HD1 PHE 15 HD1 PHE 15 2.866 14.210 -6.636 167 HD2 PHE 15 HD2 PHE 15 2.675 9.941 -6.019 168 HE1 PHE 15 HE1 PHE 15 4.270 14.408 -4.646 169 HE2 PHE 15 HE2 PHE 15 4.109 10.182 -4.041 170 HZ PHE 15 HZ PHE 15 4.880 12.407 -3.337 171 H GLU 16 HN GLU 16 0.375 14.518 -7.836 172 HA GLU 16 HA GLU 16 0.383 15.811 -5.325 173 HB2 GLU 16 HB2 GLU 16 -0.326 16.911 -8.071 174 HB3 GLU 16 HB3 GLU 16 -0.080 17.882 -6.645 175 HG2 GLU 16 HG2 GLU 16 2.294 16.894 -6.488 176 HG3 GLU 16 HG3 GLU 16 2.024 16.155 -8.048 177 H ALA 17 HN ALA 17 -2.360 15.018 -7.512 178 HA ALA 17 HA ALA 17 -4.372 16.512 -6.274 179 HB1 ALA 17 HB1 ALA 17 -5.916 14.855 -7.352 180 HB2 ALA 17 HB2 ALA 17 -4.656 15.393 -8.455 181 HB3 ALA 17 HB3 ALA 17 -4.547 13.807 -7.699 182 H PHE 18 HN PHE 18 -3.288 13.160 -5.505 183 HA PHE 18 HA PHE 18 -5.083 12.871 -3.268 184 HB2 PHE 18 HB2 PHE 18 -4.424 10.967 -4.604 185 HB3 PHE 18 HB3 PHE 18 -2.735 11.222 -4.275 186 HD1 PHE 18 HD1 PHE 18 -6.002 10.228 -2.750 187 HD2 PHE 18 HD2 PHE 18 -1.729 10.450 -2.176 188 HE1 PHE 18 HE1 PHE 18 -6.174 8.842 -0.712 189 HE2 PHE 18 HE2 PHE 18 -1.949 9.067 -0.150 190 HZ PHE 18 HZ PHE 18 -4.163 8.257 0.567 191 H MET 19 HN MET 19 -1.603 13.758 -3.593 192 HA MET 19 HA MET 19 -1.025 13.649 -0.819 193 HB2 MET 19 HB2 MET 19 0.435 15.099 -3.044 194 HB3 MET 19 HB3 MET 19 1.015 14.884 -1.413 195 HG2 MET 19 HG2 MET 19 0.272 12.338 -2.793 196 HG3 MET 19 HG3 MET 19 1.644 13.202 -3.417 197 HE1 MET 19 HE1 MET 19 1.102 10.213 -1.647 198 HE2 MET 19 HE2 MET 19 1.636 10.380 0.033 199 HE3 MET 19 HE3 MET 19 0.145 11.167 -0.507 200 H LYS 20 HN LYS 20 -2.172 16.390 -2.874 201 HA LYS 20 HA LYS 20 -2.144 18.348 -0.769 202 HB2 LYS 20 HB2 LYS 20 -3.575 18.154 -3.467 203 HB3 LYS 20 HB3 LYS 20 -4.060 19.322 -2.296 204 HG2 LYS 20 HG2 LYS 20 -2.700 20.643 -3.445 205 HG3 LYS 20 HG3 LYS 20 -1.630 20.159 -2.172 206 HD2 LYS 20 HD2 LYS 20 -0.578 18.469 -3.718 207 HD3 LYS 20 HD3 LYS 20 -1.696 18.941 -4.973 208 HE2 LYS 20 HE2 LYS 20 0.324 20.877 -3.739 209 HE3 LYS 20 HE3 LYS 20 0.599 19.962 -5.209 210 HZ1 LYS 20 HZ1 LYS 20 -0.176 22.134 -5.673 211 HZ2 LYS 20 HZ2 LYS 20 -1.563 21.892 -4.815 212 HZ3 LYS 20 HZ3 LYS 20 -1.280 21.025 -6.190 213 H ALA 21 HN ALA 21 -4.554 15.917 -1.852 214 HA ALA 21 HA ALA 21 -6.701 16.931 -0.293 215 HB1 ALA 21 HB1 ALA 21 -7.083 15.642 -2.312 216 HB2 ALA 21 HB2 ALA 21 -6.296 14.218 -1.633 217 HB3 ALA 21 HB3 ALA 21 -7.819 14.793 -0.963 218 H ILE 22 HN ILE 22 -4.221 14.447 0.500 219 HA ILE 22 HA ILE 22 -5.525 13.717 3.000 220 HB ILE 22 HB ILE 22 -3.427 12.564 3.546 221 HG12 ILE 22 HG12 ILE 22 -2.349 13.516 0.889 222 HG13 ILE 22 HG13 ILE 22 -1.790 14.099 2.423 223 HG21 ILE 22 HG21 ILE 22 -3.634 10.773 1.922 224 HG22 ILE 22 HG22 ILE 22 -5.220 11.439 2.244 225 HG23 ILE 22 HG23 ILE 22 -4.389 11.847 0.750 226 HD11 ILE 22 HD11 ILE 22 -1.128 11.675 3.005 227 HD12 ILE 22 HD12 ILE 22 -1.424 11.293 1.307 228 HD13 ILE 22 HD13 ILE 22 -0.191 12.467 1.741 229 H GLY 23 HN GLY 23 -3.685 16.458 2.027 230 HA2 GLY 23 HA2 GLY 23 -3.431 18.361 3.291 231 HA3 GLY 23 HA1 GLY 23 -3.738 17.492 4.778 232 H LEU 24 HN LEU 24 -1.288 16.198 2.536 233 HA LEU 24 HA LEU 24 0.894 16.554 4.338 234 HB2 LEU 24 HB2 LEU 24 0.331 15.169 1.842 235 HB3 LEU 24 HB3 LEU 24 1.698 16.177 1.531 236 HG LEU 24 HG LEU 24 2.833 15.194 3.513 237 HD11 LEU 24 HD11 LEU 24 0.268 14.094 4.174 238 HD12 LEU 24 HD12 LEU 24 1.798 13.919 5.027 239 HD13 LEU 24 HD13 LEU 24 1.320 12.733 3.837 240 HD21 LEU 24 HD21 LEU 24 3.801 13.591 2.235 241 HD22 LEU 24 HD22 LEU 24 2.768 14.228 0.971 242 HD23 LEU 24 HD23 LEU 24 2.297 12.782 1.845 243 HA PRO 25 HA PRO 25 1.753 20.868 3.198 244 HB2 PRO 25 HB2 PRO 25 4.359 21.118 4.072 245 HB3 PRO 25 HB3 PRO 25 2.991 20.977 5.166 246 HG2 PRO 25 HG2 PRO 25 4.791 18.748 4.194 247 HG3 PRO 25 HG3 PRO 25 4.419 19.137 5.873 248 HD2 PRO 25 HD2 PRO 25 3.040 17.202 4.592 249 HD3 PRO 25 HD3 PRO 25 2.143 18.327 5.619 250 H GLU 26 HN GLU 26 2.872 22.109 1.585 251 HA GLU 26 HA GLU 26 3.245 20.749 -0.796 252 HB2 GLU 26 HB2 GLU 26 2.448 23.036 -0.628 253 HB3 GLU 26 HB3 GLU 26 4.010 23.589 -0.084 254 HG2 GLU 26 HG2 GLU 26 5.030 23.063 -2.282 255 HG3 GLU 26 HG3 GLU 26 3.571 22.249 -2.805 256 H GLU 27 HN GLU 27 5.782 21.457 1.568 257 HA GLU 27 HA GLU 27 7.991 20.895 -0.141 258 HB2 GLU 27 HB2 GLU 27 8.295 22.001 1.992 259 HB3 GLU 27 HB3 GLU 27 7.664 20.634 2.867 260 HG2 GLU 27 HG2 GLU 27 9.627 19.235 2.143 261 HG3 GLU 27 HG3 GLU 27 10.212 20.555 1.157 262 H LEU 28 HN LEU 28 6.106 18.710 2.061 263 HA LEU 28 HA LEU 28 7.456 16.330 1.260 264 HB2 LEU 28 HB2 LEU 28 4.762 16.777 2.621 265 HB3 LEU 28 HB3 LEU 28 5.453 15.203 2.365 266 HG LEU 28 HG LEU 28 6.730 17.390 4.035 267 HD11 LEU 28 HD11 LEU 28 5.510 16.652 5.773 268 HD12 LEU 28 HD12 LEU 28 6.100 15.013 5.577 269 HD13 LEU 28 HD13 LEU 28 4.663 15.520 4.736 270 HD21 LEU 28 HD21 LEU 28 8.655 16.293 3.576 271 HD22 LEU 28 HD22 LEU 28 7.845 14.831 3.008 272 HD23 LEU 28 HD23 LEU 28 8.106 15.091 4.720 273 H ILE 29 HN ILE 29 4.869 18.106 -0.302 274 HA ILE 29 HA ILE 29 4.061 15.920 -2.042 275 HB ILE 29 HB ILE 29 3.676 18.927 -2.322 276 HG12 ILE 29 HG12 ILE 29 1.543 16.925 -1.562 277 HG13 ILE 29 HG13 ILE 29 2.509 17.675 -0.343 278 HG21 ILE 29 HG21 ILE 29 3.475 17.917 -4.572 279 HG22 ILE 29 HG22 ILE 29 2.400 16.673 -3.945 280 HG23 ILE 29 HG23 ILE 29 1.886 18.350 -4.003 281 HD11 ILE 29 HD11 ILE 29 0.157 18.709 -1.465 282 HD12 ILE 29 HD12 ILE 29 1.252 19.561 -0.397 283 HD13 ILE 29 HD13 ILE 29 1.427 19.737 -2.129 284 H GLN 30 HN GLN 30 6.039 18.953 -2.506 285 HA GLN 30 HA GLN 30 6.831 18.262 -5.130 286 HB2 GLN 30 HB2 GLN 30 7.950 20.304 -3.158 287 HB3 GLN 30 HB3 GLN 30 8.486 20.179 -4.805 288 HG2 GLN 30 HG2 GLN 30 5.707 21.005 -3.867 289 HG3 GLN 30 HG3 GLN 30 6.885 21.983 -4.685 290 HE21 GLN 30 HE21 GLN 30 4.086 20.144 -5.067 291 HE22 GLN 30 HE22 GLN 30 4.150 19.862 -6.790 292 H LYS 31 HN LYS 31 8.515 17.637 -2.027 293 HA LYS 31 HA LYS 31 10.769 16.481 -3.480 294 HB2 LYS 31 HB2 LYS 31 11.920 16.402 -1.518 295 HB3 LYS 31 HB3 LYS 31 10.978 17.837 -1.367 296 HG2 LYS 31 HG2 LYS 31 10.779 16.935 0.746 297 HG3 LYS 31 HG3 LYS 31 9.318 16.331 0.031 298 HD2 LYS 31 HD2 LYS 31 10.031 14.126 -0.055 299 HD3 LYS 31 HD3 LYS 31 11.724 14.524 -0.179 300 HE2 LYS 31 HE2 LYS 31 10.040 14.930 2.342 301 HE3 LYS 31 HE3 LYS 31 10.947 13.483 1.990 302 HZ1 LYS 31 HZ1 LYS 31 12.116 16.160 2.235 303 HZ2 LYS 31 HZ2 LYS 31 12.946 14.757 1.956 304 HZ3 LYS 31 HZ3 LYS 31 12.151 14.974 3.383 305 H GLY 32 HN GLY 32 7.668 15.408 -2.488 306 HA2 GLY 32 HA2 GLY 32 8.261 12.573 -2.142 307 HA3 GLY 32 HA1 GLY 32 6.699 13.339 -2.355 308 H LYS 33 HN LYS 33 7.798 14.793 -4.884 309 HA LYS 33 HA LYS 33 7.456 12.541 -6.794 310 HB2 LYS 33 HB2 LYS 33 6.739 14.220 -8.386 311 HB3 LYS 33 HB3 LYS 33 5.741 14.243 -6.970 312 HG2 LYS 33 HG2 LYS 33 6.804 16.247 -6.135 313 HG3 LYS 33 HG3 LYS 33 8.036 16.235 -7.360 314 HD2 LYS 33 HD2 LYS 33 5.089 16.506 -8.021 315 HD3 LYS 33 HD3 LYS 33 6.086 17.878 -7.624 316 HE2 LYS 33 HE2 LYS 33 7.639 17.223 -9.559 317 HE3 LYS 33 HE3 LYS 33 6.478 15.980 -10.003 318 HZ1 LYS 33 HZ1 LYS 33 5.955 18.865 -9.833 319 HZ2 LYS 33 HZ2 LYS 33 4.831 17.732 -10.213 320 HZ3 LYS 33 HZ3 LYS 33 6.117 17.985 -11.221 321 H ASP 34 HN ASP 34 9.945 14.903 -5.742 322 HA ASP 34 HA ASP 34 11.187 14.990 -8.320 323 HB2 ASP 34 HB2 ASP 34 13.005 16.177 -7.474 324 HB3 ASP 34 HB3 ASP 34 11.553 16.836 -6.754 325 H ILE 35 HN ILE 35 12.067 13.239 -5.332 326 HA ILE 35 HA ILE 35 13.743 11.316 -6.849 327 HB ILE 35 HB ILE 35 13.217 11.671 -3.854 328 HG12 ILE 35 HG12 ILE 35 14.519 13.530 -4.527 329 HG13 ILE 35 HG13 ILE 35 15.560 12.446 -3.678 330 HG21 ILE 35 HG21 ILE 35 15.115 9.719 -5.232 331 HG22 ILE 35 HG22 ILE 35 15.153 10.099 -3.514 332 HG23 ILE 35 HG23 ILE 35 13.747 9.323 -4.196 333 HD11 ILE 35 HD11 ILE 35 16.256 11.599 -6.121 334 HD12 ILE 35 HD12 ILE 35 15.515 13.110 -6.646 335 HD13 ILE 35 HD13 ILE 35 16.874 13.135 -5.531 336 H LYS 36 HN LYS 36 12.813 9.510 -7.549 337 HA LYS 36 HA LYS 36 10.223 8.529 -6.717 338 HB2 LYS 36 HB2 LYS 36 12.450 7.613 -8.564 339 HB3 LYS 36 HB3 LYS 36 11.312 6.437 -8.005 340 HG2 LYS 36 HG2 LYS 36 10.606 7.288 -10.161 341 HG3 LYS 36 HG3 LYS 36 9.405 7.575 -8.940 342 HD2 LYS 36 HD2 LYS 36 10.069 9.957 -8.772 343 HD3 LYS 36 HD3 LYS 36 11.350 9.703 -9.934 344 HE2 LYS 36 HE2 LYS 36 9.671 9.143 -11.693 345 HE3 LYS 36 HE3 LYS 36 8.372 9.247 -10.518 346 HZ1 LYS 36 HZ1 LYS 36 10.119 11.459 -11.314 347 HZ2 LYS 36 HZ2 LYS 36 8.921 11.553 -10.189 348 HZ3 LYS 36 HZ3 LYS 36 8.549 11.238 -11.767 349 H GLY 37 HN GLY 37 9.781 7.299 -5.011 350 HA2 GLY 37 HA2 GLY 37 11.713 6.663 -2.990 351 HA3 GLY 37 HA1 GLY 37 10.010 6.246 -3.016 352 H VAL 38 HN VAL 38 10.984 4.266 -1.959 353 HA VAL 38 HA VAL 38 11.323 2.135 -3.978 354 HB VAL 38 HB VAL 38 13.050 2.282 -1.446 355 HG11 VAL 38 HG11 VAL 38 14.341 0.414 -2.467 356 HG12 VAL 38 HG12 VAL 38 12.705 -0.047 -2.077 357 HG13 VAL 38 HG13 VAL 38 13.145 0.312 -3.747 358 HG21 VAL 38 HG21 VAL 38 15.032 2.634 -2.911 359 HG22 VAL 38 HG22 VAL 38 13.959 2.883 -4.283 360 HG23 VAL 38 HG23 VAL 38 13.949 4.006 -2.925 361 H SER 39 HN SER 39 10.559 0.096 -3.207 362 HA SER 39 HA SER 39 9.271 -0.004 -0.553 363 HB2 SER 39 HB2 SER 39 7.908 -0.469 -3.262 364 HB3 SER 39 HB3 SER 39 7.361 -1.313 -1.826 365 HG SER 39 HG SER 39 6.981 0.618 -0.805 366 H GLU 40 HN GLU 40 9.183 -2.092 0.321 367 HA GLU 40 HA GLU 40 10.482 -4.267 -1.187 368 HB2 GLU 40 HB2 GLU 40 12.272 -3.053 0.047 369 HB3 GLU 40 HB3 GLU 40 11.433 -3.272 1.532 370 HG2 GLU 40 HG2 GLU 40 11.694 -5.740 1.415 371 HG3 GLU 40 HG3 GLU 40 12.406 -5.607 -0.180 372 H ILE 41 HN ILE 41 9.667 -6.220 -0.789 373 HA ILE 41 HA ILE 41 7.438 -6.438 1.186 374 HB ILE 41 HB ILE 41 7.420 -7.348 -1.732 375 HG12 ILE 41 HG12 ILE 41 5.793 -5.062 -0.559 376 HG13 ILE 41 HG13 ILE 41 7.209 -4.829 -1.543 377 HG21 ILE 41 HG21 ILE 41 5.335 -7.509 0.476 378 HG22 ILE 41 HG22 ILE 41 4.936 -7.763 -1.215 379 HG23 ILE 41 HG23 ILE 41 6.043 -8.856 -0.406 380 HD11 ILE 41 HD11 ILE 41 5.733 -4.693 -3.266 381 HD12 ILE 41 HD12 ILE 41 5.802 -6.449 -3.251 382 HD13 ILE 41 HD13 ILE 41 4.489 -5.612 -2.427 383 H VAL 42 HN VAL 42 7.527 -8.325 2.313 384 HA VAL 42 HA VAL 42 9.095 -10.620 1.235 385 HB VAL 42 HB VAL 42 9.386 -9.510 4.065 386 HG11 VAL 42 HG11 VAL 42 10.677 -11.961 2.801 387 HG12 VAL 42 HG12 VAL 42 11.130 -11.271 4.356 388 HG13 VAL 42 HG13 VAL 42 9.538 -11.964 4.145 389 HG21 VAL 42 HG21 VAL 42 11.771 -9.115 3.491 390 HG22 VAL 42 HG22 VAL 42 11.418 -9.497 1.809 391 HG23 VAL 42 HG23 VAL 42 10.685 -8.090 2.576 392 H GLN 43 HN GLN 43 7.332 -11.818 0.795 393 HA GLN 43 HA GLN 43 5.253 -12.380 2.775 394 HB2 GLN 43 HB2 GLN 43 4.761 -12.395 0.357 395 HB3 GLN 43 HB3 GLN 43 5.969 -13.625 0.085 396 HG2 GLN 43 HG2 GLN 43 4.612 -15.231 1.531 397 HG3 GLN 43 HG3 GLN 43 3.420 -13.972 1.766 398 HE21 GLN 43 HE21 GLN 43 2.154 -15.938 0.908 399 HE22 GLN 43 HE22 GLN 43 1.945 -16.038 -0.824 400 H ASN 44 HN ASN 44 5.135 -14.207 4.058 401 HA ASN 44 HA ASN 44 7.004 -16.397 3.696 402 HB2 ASN 44 HB2 ASN 44 7.801 -16.466 6.011 403 HB3 ASN 44 HB3 ASN 44 8.392 -15.081 5.148 404 HD21 ASN 44 HD21 ASN 44 7.243 -12.914 5.570 405 HD22 ASN 44 HD22 ASN 44 6.678 -12.649 7.201 406 H GLY 45 HN GLY 45 5.177 -17.364 2.921 407 HA2 GLY 45 HA2 GLY 45 3.372 -18.753 3.025 408 HA3 GLY 45 HA1 GLY 45 3.512 -18.794 4.776 409 H LYS 46 HN LYS 46 1.767 -17.971 5.791 410 HA LYS 46 HA LYS 46 -0.128 -16.207 4.501 411 HB2 LYS 46 HB2 LYS 46 -0.036 -18.023 6.843 412 HB3 LYS 46 HB3 LYS 46 -0.856 -16.558 7.227 413 HG2 LYS 46 HG2 LYS 46 -1.583 -18.204 4.778 414 HG3 LYS 46 HG3 LYS 46 -2.332 -18.403 6.343 415 HD2 LYS 46 HD2 LYS 46 -3.109 -16.074 6.336 416 HD3 LYS 46 HD3 LYS 46 -2.290 -15.735 4.844 417 HE2 LYS 46 HE2 LYS 46 -4.603 -16.031 4.286 418 HE3 LYS 46 HE3 LYS 46 -3.776 -17.452 3.681 419 HZ1 LYS 46 HZ1 LYS 46 -4.492 -18.609 5.666 420 HZ2 LYS 46 HZ2 LYS 46 -5.780 -17.999 4.838 421 HZ3 LYS 46 HZ3 LYS 46 -5.256 -17.254 6.213 422 H HIS 47 HN HIS 47 2.613 -15.729 6.650 423 HA HIS 47 HA HIS 47 1.792 -13.078 7.521 424 HB2 HIS 47 HB2 HIS 47 3.955 -14.972 8.136 425 HB3 HIS 47 HB3 HIS 47 4.615 -13.399 7.820 426 HD1 HIS 47 HD1 HIS 47 2.689 -11.458 9.155 427 HD2 HIS 47 HD2 HIS 47 3.910 -15.088 10.927 428 HE1 HIS 47 HE1 HIS 47 2.459 -11.236 11.655 429 H PHE 48 HN PHE 48 2.834 -11.111 6.962 430 HA PHE 48 HA PHE 48 4.232 -10.915 4.374 431 HB2 PHE 48 HB2 PHE 48 1.701 -11.046 3.991 432 HB3 PHE 48 HB3 PHE 48 1.511 -9.638 4.981 433 HD1 PHE 48 HD1 PHE 48 2.672 -7.405 4.174 434 HD2 PHE 48 HD2 PHE 48 2.232 -10.899 1.673 435 HE1 PHE 48 HE1 PHE 48 2.903 -6.016 2.162 436 HE2 PHE 48 HE2 PHE 48 2.470 -9.471 -0.318 437 HZ PHE 48 HZ PHE 48 2.759 -7.036 -0.076 438 H LYS 49 HN LYS 49 5.870 -9.548 4.763 439 HA LYS 49 HA LYS 49 5.558 -7.267 6.661 440 HB2 LYS 49 HB2 LYS 49 8.000 -8.475 5.303 441 HB3 LYS 49 HB3 LYS 49 8.031 -7.047 6.297 442 HG2 LYS 49 HG2 LYS 49 7.302 -8.322 8.266 443 HG3 LYS 49 HG3 LYS 49 7.166 -9.786 7.322 444 HD2 LYS 49 HD2 LYS 49 9.600 -9.744 6.845 445 HD3 LYS 49 HD3 LYS 49 9.766 -8.211 7.648 446 HE2 LYS 49 HE2 LYS 49 10.571 -9.972 9.123 447 HE3 LYS 49 HE3 LYS 49 9.138 -9.262 9.840 448 HZ1 LYS 49 HZ1 LYS 49 9.173 -11.656 9.917 449 HZ2 LYS 49 HZ2 LYS 49 9.156 -11.751 8.268 450 HZ3 LYS 49 HZ3 LYS 49 7.870 -11.100 9.093 451 H PHE 50 HN PHE 50 5.533 -5.224 5.887 452 HA PHE 50 HA PHE 50 5.937 -4.703 2.972 453 HB2 PHE 50 HB2 PHE 50 3.518 -4.562 4.226 454 HB3 PHE 50 HB3 PHE 50 4.115 -3.028 4.754 455 HD1 PHE 50 HD1 PHE 50 5.627 -2.618 1.790 456 HD2 PHE 50 HD2 PHE 50 1.634 -3.415 3.245 457 HE1 PHE 50 HE1 PHE 50 4.683 -1.534 -0.167 458 HE2 PHE 50 HE2 PHE 50 0.724 -2.320 1.242 459 HZ PHE 50 HZ PHE 50 2.239 -1.386 -0.463 460 H THR 51 HN THR 51 7.319 -2.999 2.585 461 HA THR 51 HA THR 51 8.042 -1.076 4.694 462 HB THR 51 HB THR 51 9.998 -2.652 2.956 463 HG1 THR 51 HG1 THR 51 9.373 -3.676 4.840 464 HG21 THR 51 HG21 THR 51 10.640 -0.319 4.824 465 HG22 THR 51 HG22 THR 51 10.867 -0.306 3.074 466 HG23 THR 51 HG23 THR 51 11.840 -1.365 4.075 467 H ILE 52 HN ILE 52 8.137 0.963 3.886 468 HA ILE 52 HA ILE 52 8.214 1.458 0.955 469 HB ILE 52 HB ILE 52 6.348 2.925 2.900 470 HG12 ILE 52 HG12 ILE 52 4.535 1.831 1.302 471 HG13 ILE 52 HG13 ILE 52 5.722 0.588 1.079 472 HG21 ILE 52 HG21 ILE 52 7.104 4.315 0.994 473 HG22 ILE 52 HG22 ILE 52 6.585 3.073 -0.139 474 HG23 ILE 52 HG23 ILE 52 5.406 3.937 0.844 475 HD11 ILE 52 HD11 ILE 52 5.077 1.376 3.950 476 HD12 ILE 52 HD12 ILE 52 3.837 0.528 3.039 477 HD13 ILE 52 HD13 ILE 52 5.400 -0.220 3.288 478 H THR 53 HN THR 53 9.998 2.636 0.664 479 HA THR 53 HA THR 53 11.074 4.431 2.775 480 HB THR 53 HB THR 53 12.221 3.372 0.162 481 HG1 THR 53 HG1 THR 53 12.105 1.865 1.818 482 HG21 THR 53 HG21 THR 53 14.434 4.280 0.950 483 HG22 THR 53 HG22 THR 53 13.600 5.156 2.230 484 HG23 THR 53 HG23 THR 53 13.307 5.555 0.542 485 H ALA 54 HN ALA 54 10.866 6.561 2.568 486 HA ALA 54 HA ALA 54 10.323 7.838 -0.071 487 HB1 ALA 54 HB1 ALA 54 8.291 7.901 1.410 488 HB2 ALA 54 HB2 ALA 54 9.243 8.638 2.695 489 HB3 ALA 54 HB3 ALA 54 8.964 9.508 1.188 490 H GLY 55 HN GLY 55 10.964 10.220 0.101 491 HA2 GLY 55 HA2 GLY 55 13.777 10.386 0.583 492 HA3 GLY 55 HA1 GLY 55 12.708 11.660 0.038 493 H SER 56 HN SER 56 11.553 10.432 3.044 494 HA SER 56 HA SER 56 13.081 12.412 4.657 495 HB2 SER 56 HB2 SER 56 10.273 12.622 3.907 496 HB3 SER 56 HB3 SER 56 10.310 12.196 5.586 497 HG SER 56 HG SER 56 11.577 13.937 6.044 498 H LYS 57 HN LYS 57 11.208 9.370 4.550 499 HA LYS 57 HA LYS 57 12.633 8.267 6.797 500 HB2 LYS 57 HB2 LYS 57 10.686 7.939 8.234 501 HB3 LYS 57 HB3 LYS 57 10.968 9.637 8.048 502 HG2 LYS 57 HG2 LYS 57 9.110 9.863 6.481 503 HG3 LYS 57 HG3 LYS 57 8.863 8.151 6.371 504 HD2 LYS 57 HD2 LYS 57 8.471 9.730 8.951 505 HD3 LYS 57 HD3 LYS 57 7.214 9.428 7.796 506 HE2 LYS 57 HE2 LYS 57 6.815 7.698 9.297 507 HE3 LYS 57 HE3 LYS 57 7.816 6.858 8.130 508 HZ1 LYS 57 HZ1 LYS 57 9.680 7.212 9.580 509 HZ2 LYS 57 HZ2 LYS 57 8.455 6.434 10.363 510 HZ3 LYS 57 HZ3 LYS 57 8.729 8.032 10.656 511 H VAL 58 HN VAL 58 11.755 6.053 7.324 512 HA VAL 58 HA VAL 58 10.517 4.724 4.954 513 HB VAL 58 HB VAL 58 12.213 3.406 7.124 514 HG11 VAL 58 HG11 VAL 58 12.322 1.505 5.526 515 HG12 VAL 58 HG12 VAL 58 10.655 1.848 5.945 516 HG13 VAL 58 HG13 VAL 58 11.294 2.373 4.398 517 HG21 VAL 58 HG21 VAL 58 14.043 3.226 5.425 518 HG22 VAL 58 HG22 VAL 58 13.139 4.293 4.357 519 HG23 VAL 58 HG23 VAL 58 13.752 4.886 5.898 520 H ILE 59 HN ILE 59 8.693 3.594 5.307 521 HA ILE 59 HA ILE 59 7.496 3.415 8.049 522 HB ILE 59 HB ILE 59 6.184 3.594 5.284 523 HG12 ILE 59 HG12 ILE 59 5.962 5.622 7.528 524 HG13 ILE 59 HG13 ILE 59 7.108 5.785 6.221 525 HG21 ILE 59 HG21 ILE 59 3.988 3.696 6.517 526 HG22 ILE 59 HG22 ILE 59 4.776 2.151 6.720 527 HG23 ILE 59 HG23 ILE 59 4.841 3.343 8.013 528 HD11 ILE 59 HD11 ILE 59 4.871 5.459 4.705 529 HD12 ILE 59 HD12 ILE 59 4.155 6.172 6.146 530 HD13 ILE 59 HD13 ILE 59 5.435 7.019 5.281 531 H GLN 60 HN GLN 60 7.235 1.287 8.721 532 HA GLN 60 HA GLN 60 6.773 -0.791 6.744 533 HB2 GLN 60 HB2 GLN 60 8.527 -2.295 7.693 534 HB3 GLN 60 HB3 GLN 60 9.140 -1.003 6.732 535 HG2 GLN 60 HG2 GLN 60 9.027 -0.520 9.736 536 HG3 GLN 60 HG3 GLN 60 10.148 -1.718 9.159 537 HE21 GLN 60 HE21 GLN 60 9.751 1.636 9.641 538 HE22 GLN 60 HE22 GLN 60 11.161 2.161 8.761 539 H ASN 61 HN ASN 61 5.772 -2.586 7.448 540 HA ASN 61 HA ASN 61 4.834 -2.790 10.214 541 HB2 ASN 61 HB2 ASN 61 3.017 -2.291 7.769 542 HB3 ASN 61 HB3 ASN 61 2.419 -2.973 9.256 543 HD21 ASN 61 HD21 ASN 61 3.172 -0.003 7.669 544 HD22 ASN 61 HD22 ASN 61 2.896 1.042 9.039 545 H GLU 62 HN GLU 62 3.667 -4.870 10.531 546 HA GLU 62 HA GLU 62 3.912 -6.847 8.366 547 HB2 GLU 62 HB2 GLU 62 5.910 -7.204 9.741 548 HB3 GLU 62 HB3 GLU 62 4.956 -7.273 11.196 549 HG2 GLU 62 HG2 GLU 62 3.879 -9.380 10.491 550 HG3 GLU 62 HG3 GLU 62 4.575 -9.252 8.892 551 H PHE 63 HN PHE 63 2.343 -8.350 8.298 552 HA PHE 63 HA PHE 63 0.307 -8.582 10.356 553 HB2 PHE 63 HB2 PHE 63 -1.535 -7.910 8.917 554 HB3 PHE 63 HB3 PHE 63 -0.446 -6.566 9.118 555 HD1 PHE 63 HD1 PHE 63 0.865 -5.706 7.182 556 HD2 PHE 63 HD2 PHE 63 -1.826 -9.048 6.738 557 HE1 PHE 63 HE1 PHE 63 0.963 -5.492 4.730 558 HE2 PHE 63 HE2 PHE 63 -1.662 -8.836 4.298 559 HZ PHE 63 HZ PHE 63 -0.295 -7.051 3.295 560 H THR 64 HN THR 64 -1.425 -10.148 9.571 561 HA THR 64 HA THR 64 -0.274 -12.293 7.836 562 HB THR 64 HB THR 64 -2.255 -12.481 10.168 563 HG1 THR 64 HG1 THR 64 -0.525 -13.726 11.051 564 HG21 THR 64 HG21 THR 64 -1.069 -14.714 8.448 565 HG22 THR 64 HG22 THR 64 -2.774 -14.265 8.484 566 HG23 THR 64 HG23 THR 64 -2.022 -14.961 9.907 567 H VAL 65 HN VAL 65 -1.451 -12.786 6.035 568 HA VAL 65 HA VAL 65 -3.551 -11.042 5.187 569 HB VAL 65 HB VAL 65 -2.562 -13.686 4.025 570 HG11 VAL 65 HG11 VAL 65 -4.228 -11.545 2.634 571 HG12 VAL 65 HG12 VAL 65 -3.508 -12.938 1.847 572 HG13 VAL 65 HG13 VAL 65 -4.785 -13.177 3.019 573 HG21 VAL 65 HG21 VAL 65 -1.218 -12.324 2.471 574 HG22 VAL 65 HG22 VAL 65 -1.773 -10.847 3.242 575 HG23 VAL 65 HG23 VAL 65 -0.750 -11.980 4.122 576 H GLY 66 HN GLY 66 -5.746 -11.283 5.203 577 HA2 GLY 66 HA2 GLY 66 -7.815 -12.361 5.405 578 HA3 GLY 66 HA1 GLY 66 -7.075 -13.802 6.060 579 H GLU 67 HN GLU 67 -5.385 -12.047 7.998 580 HA GLU 67 HA GLU 67 -7.425 -11.521 10.076 581 HB2 GLU 67 HB2 GLU 67 -4.365 -11.573 10.070 582 HB3 GLU 67 HB3 GLU 67 -5.280 -11.064 11.439 583 HG2 GLU 67 HG2 GLU 67 -5.565 -13.853 10.210 584 HG3 GLU 67 HG3 GLU 67 -4.450 -13.464 11.492 585 H GLU 68 HN GLU 68 -7.550 -9.536 11.134 586 HA GLU 68 HA GLU 68 -6.929 -7.154 9.552 587 HB2 GLU 68 HB2 GLU 68 -8.279 -5.998 11.192 588 HB3 GLU 68 HB3 GLU 68 -9.119 -7.389 10.584 589 HG2 GLU 68 HG2 GLU 68 -8.473 -8.661 12.706 590 HG3 GLU 68 HG3 GLU 68 -7.756 -7.191 13.325 591 H CYS 69 HN CYS 69 -5.851 -5.328 10.511 592 HA CYS 69 HA CYS 69 -3.727 -5.762 12.455 593 HB2 CYS 69 HB2 CYS 69 -1.921 -5.585 10.739 594 HB3 CYS 69 HB3 CYS 69 -2.864 -7.040 10.523 595 HG CYS 69 HG CYS 69 -4.372 -6.198 8.616 596 H GLU 70 HN GLU 70 -2.211 -3.861 12.466 597 HA GLU 70 HA GLU 70 -3.686 -1.325 11.902 598 HB2 GLU 70 HB2 GLU 70 -3.489 -1.996 14.288 599 HB3 GLU 70 HB3 GLU 70 -1.757 -2.067 14.140 600 HG2 GLU 70 HG2 GLU 70 -1.759 0.421 13.549 601 HG3 GLU 70 HG3 GLU 70 -3.484 0.444 13.820 602 H LEU 71 HN LEU 71 -2.814 -0.203 10.297 603 HA LEU 71 HA LEU 71 0.104 -0.393 9.685 604 HB2 LEU 71 HB2 LEU 71 -2.398 -0.196 7.983 605 HB3 LEU 71 HB3 LEU 71 -1.005 0.680 7.445 606 HG LEU 71 HG LEU 71 0.391 -1.344 7.521 607 HD11 LEU 71 HD11 LEU 71 -0.311 -3.118 8.745 608 HD12 LEU 71 HD12 LEU 71 -1.328 -3.536 7.382 609 HD13 LEU 71 HD13 LEU 71 -1.998 -2.620 8.716 610 HD21 LEU 71 HD21 LEU 71 -1.774 -2.157 5.639 611 HD22 LEU 71 HD22 LEU 71 -0.070 -1.820 5.355 612 HD23 LEU 71 HD23 LEU 71 -1.217 -0.502 5.489 613 H GLU 72 HN GLU 72 0.968 1.556 8.656 614 HA GLU 72 HA GLU 72 0.118 4.079 10.004 615 HB2 GLU 72 HB2 GLU 72 2.247 3.031 10.844 616 HB3 GLU 72 HB3 GLU 72 2.876 3.022 9.229 617 HG2 GLU 72 HG2 GLU 72 2.824 5.526 9.179 618 HG3 GLU 72 HG3 GLU 72 2.160 5.555 10.800 619 H THR 73 HN THR 73 0.182 5.957 8.762 620 HA THR 73 HA THR 73 0.554 5.728 5.803 621 HB THR 73 HB THR 73 -1.010 7.522 5.558 622 HG1 THR 73 HG1 THR 73 -1.302 7.728 8.345 623 HG21 THR 73 HG21 THR 73 -3.128 6.657 6.415 624 HG22 THR 73 HG22 THR 73 -2.302 5.654 7.597 625 HG23 THR 73 HG23 THR 73 -2.122 5.318 5.878 626 H MET 74 HN MET 74 1.109 8.015 4.882 627 HA MET 74 HA MET 74 3.725 8.563 5.535 628 HB2 MET 74 HB2 MET 74 1.671 10.117 3.920 629 HB3 MET 74 HB3 MET 74 3.308 10.671 4.054 630 HG2 MET 74 HG2 MET 74 3.243 9.490 2.036 631 HG3 MET 74 HG3 MET 74 4.122 8.458 3.131 632 HE1 MET 74 HE1 MET 74 3.889 6.583 1.248 633 HE2 MET 74 HE2 MET 74 2.339 6.041 0.587 634 HE3 MET 74 HE3 MET 74 2.920 7.677 0.245 635 H THR 75 HN THR 75 0.942 10.181 7.027 636 HA THR 75 HA THR 75 2.569 12.365 8.126 637 HB THR 75 HB THR 75 0.456 12.997 9.257 638 HG1 THR 75 HG1 THR 75 -1.432 11.785 8.740 639 HG21 THR 75 HG21 THR 75 -0.036 12.390 6.306 640 HG22 THR 75 HG22 THR 75 0.688 13.853 6.985 641 HG23 THR 75 HG23 THR 75 -0.992 13.474 7.308 642 H GLY 76 HN GLY 76 1.857 9.081 9.041 643 HA2 GLY 76 HA2 GLY 76 2.601 8.001 10.984 644 HA3 GLY 76 HA1 GLY 76 2.716 9.507 11.865 645 H GLU 77 HN GLU 77 -0.246 9.631 10.163 646 HA GLU 77 HA GLU 77 -1.987 8.870 12.321 647 HB2 GLU 77 HB2 GLU 77 -2.294 9.536 9.376 648 HB3 GLU 77 HB3 GLU 77 -3.601 8.706 10.117 649 HG2 GLU 77 HG2 GLU 77 -2.483 11.331 11.218 650 HG3 GLU 77 HG3 GLU 77 -3.788 11.234 10.060 651 H LYS 78 HN LYS 78 -2.779 6.920 12.875 652 HA LYS 78 HA LYS 78 -1.982 4.574 11.218 653 HB2 LYS 78 HB2 LYS 78 -2.492 4.736 14.221 654 HB3 LYS 78 HB3 LYS 78 -2.110 3.302 13.308 655 HG2 LYS 78 HG2 LYS 78 0.038 4.722 12.520 656 HG3 LYS 78 HG3 LYS 78 -0.326 5.662 13.937 657 HD2 LYS 78 HD2 LYS 78 1.175 4.090 14.795 658 HD3 LYS 78 HD3 LYS 78 -0.360 3.379 15.221 659 HE2 LYS 78 HE2 LYS 78 -0.199 1.996 13.023 660 HE3 LYS 78 HE3 LYS 78 1.441 2.588 12.880 661 HZ1 LYS 78 HZ1 LYS 78 1.360 0.484 13.953 662 HZ2 LYS 78 HZ2 LYS 78 0.343 1.055 15.122 663 HZ3 LYS 78 HZ3 LYS 78 1.900 1.613 15.031 664 H VAL 79 HN VAL 79 -3.361 2.872 10.980 665 HA VAL 79 HA VAL 79 -6.260 3.312 11.303 666 HB VAL 79 HB VAL 79 -6.396 2.732 8.764 667 HG11 VAL 79 HG11 VAL 79 -5.496 5.552 9.466 668 HG12 VAL 79 HG12 VAL 79 -6.454 5.062 8.077 669 HG13 VAL 79 HG13 VAL 79 -7.121 4.920 9.694 670 HG21 VAL 79 HG21 VAL 79 -3.976 2.260 8.294 671 HG22 VAL 79 HG22 VAL 79 -4.586 3.579 7.306 672 HG23 VAL 79 HG23 VAL 79 -3.577 3.919 8.692 673 H LYS 80 HN LYS 80 -7.223 1.449 11.794 674 HA LYS 80 HA LYS 80 -5.909 -1.097 11.352 675 HB2 LYS 80 HB2 LYS 80 -8.508 -0.282 12.660 676 HB3 LYS 80 HB3 LYS 80 -8.269 -1.928 12.143 677 HG2 LYS 80 HG2 LYS 80 -6.194 -2.153 13.459 678 HG3 LYS 80 HG3 LYS 80 -6.316 -0.503 13.982 679 HD2 LYS 80 HD2 LYS 80 -7.079 -2.002 15.753 680 HD3 LYS 80 HD3 LYS 80 -8.371 -0.965 15.237 681 HE2 LYS 80 HE2 LYS 80 -9.204 -3.254 15.618 682 HE3 LYS 80 HE3 LYS 80 -9.406 -2.833 13.936 683 HZ1 LYS 80 HZ1 LYS 80 -7.245 -4.479 15.052 684 HZ2 LYS 80 HZ2 LYS 80 -7.395 -4.064 13.459 685 HZ3 LYS 80 HZ3 LYS 80 -8.552 -4.998 14.180 686 H THR 81 HN THR 81 -6.498 -2.684 9.944 687 HA THR 81 HA THR 81 -8.289 -2.193 7.689 688 HB THR 81 HB THR 81 -6.316 -0.764 7.196 689 HG1 THR 81 HG1 THR 81 -5.700 -1.807 5.215 690 HG21 THR 81 HG21 THR 81 -4.498 -1.979 8.444 691 HG22 THR 81 HG22 THR 81 -4.066 -1.653 6.777 692 HG23 THR 81 HG23 THR 81 -4.559 -3.269 7.244 693 H VAL 82 HN VAL 82 -8.154 -4.020 6.120 694 HA VAL 82 HA VAL 82 -6.968 -6.529 7.199 695 HB VAL 82 HB VAL 82 -9.647 -6.704 5.806 696 HG11 VAL 82 HG11 VAL 82 -8.187 -8.707 6.546 697 HG12 VAL 82 HG12 VAL 82 -8.619 -8.285 8.185 698 HG13 VAL 82 HG13 VAL 82 -9.878 -8.742 7.057 699 HG21 VAL 82 HG21 VAL 82 -10.925 -6.602 7.953 700 HG22 VAL 82 HG22 VAL 82 -9.510 -5.927 8.751 701 HG23 VAL 82 HG23 VAL 82 -10.311 -5.036 7.460 702 H VAL 83 HN VAL 83 -6.266 -7.944 5.570 703 HA VAL 83 HA VAL 83 -6.324 -6.914 2.759 704 HB VAL 83 HB VAL 83 -3.959 -8.204 4.210 705 HG11 VAL 83 HG11 VAL 83 -4.099 -6.862 1.474 706 HG12 VAL 83 HG12 VAL 83 -2.616 -7.403 2.250 707 HG13 VAL 83 HG13 VAL 83 -3.831 -8.572 1.786 708 HG21 VAL 83 HG21 VAL 83 -2.827 -5.976 4.193 709 HG22 VAL 83 HG22 VAL 83 -4.328 -5.226 3.718 710 HG23 VAL 83 HG23 VAL 83 -4.199 -6.033 5.273 711 H GLN 84 HN GLN 84 -6.824 -8.439 1.251 712 HA GLN 84 HA GLN 84 -6.367 -11.318 1.812 713 HB2 GLN 84 HB2 GLN 84 -8.964 -10.092 0.748 714 HB3 GLN 84 HB3 GLN 84 -8.522 -11.744 0.498 715 HG2 GLN 84 HG2 GLN 84 -9.770 -12.106 2.332 716 HG3 GLN 84 HG3 GLN 84 -8.247 -11.871 3.141 717 HE21 GLN 84 HE21 GLN 84 -8.484 -10.540 4.925 718 HE22 GLN 84 HE22 GLN 84 -9.671 -9.271 5.085 719 H LEU 85 HN LEU 85 -5.945 -12.578 -0.009 720 HA LEU 85 HA LEU 85 -4.921 -11.193 -2.355 721 HB2 LEU 85 HB2 LEU 85 -3.856 -13.228 -1.175 722 HB3 LEU 85 HB3 LEU 85 -5.184 -14.170 -1.771 723 HG LEU 85 HG LEU 85 -4.431 -13.322 -4.152 724 HD11 LEU 85 HD11 LEU 85 -2.701 -11.684 -2.919 725 HD12 LEU 85 HD12 LEU 85 -2.340 -12.418 -4.472 726 HD13 LEU 85 HD13 LEU 85 -1.687 -13.111 -2.987 727 HD21 LEU 85 HD21 LEU 85 -2.709 -15.168 -4.292 728 HD22 LEU 85 HD22 LEU 85 -4.246 -15.658 -3.591 729 HD23 LEU 85 HD23 LEU 85 -2.857 -15.371 -2.548 730 H GLU 86 HN GLU 86 -5.921 -11.119 -4.376 731 HA GLU 86 HA GLU 86 -8.706 -12.018 -4.630 732 HB2 GLU 86 HB2 GLU 86 -7.732 -9.717 -5.310 733 HB3 GLU 86 HB3 GLU 86 -7.022 -10.532 -6.672 734 HG2 GLU 86 HG2 GLU 86 -9.305 -11.204 -7.490 735 HG3 GLU 86 HG3 GLU 86 -10.024 -10.503 -6.061 736 H GLY 87 HN GLY 87 -5.969 -13.727 -4.820 737 HA2 GLY 87 HA2 GLY 87 -5.470 -15.781 -5.674 738 HA3 GLY 87 HA1 GLY 87 -7.018 -15.821 -6.491 739 H ASP 88 HN ASP 88 -5.361 -12.976 -7.371 740 HA ASP 88 HA ASP 88 -4.383 -14.120 -9.943 741 HB2 ASP 88 HB2 ASP 88 -6.702 -13.115 -10.041 742 HB3 ASP 88 HB3 ASP 88 -6.049 -11.618 -9.421 743 H ASN 89 HN ASN 89 -2.635 -13.803 -7.824 744 HA ASN 89 HA ASN 89 -1.017 -12.759 -6.886 745 HB2 ASN 89 HB2 ASN 89 0.774 -11.707 -8.677 746 HB3 ASN 89 HB3 ASN 89 0.544 -13.361 -8.290 747 HD21 ASN 89 HD21 ASN 89 -0.298 -10.959 -10.785 748 HD22 ASN 89 HD22 ASN 89 -0.595 -12.142 -12.033 749 H LYS 90 HN LYS 90 -3.192 -11.278 -6.546 750 HA LYS 90 HA LYS 90 -2.286 -8.458 -6.407 751 HB2 LYS 90 HB2 LYS 90 -4.961 -9.682 -7.277 752 HB3 LYS 90 HB3 LYS 90 -4.872 -8.032 -6.743 753 HG2 LYS 90 HG2 LYS 90 -3.585 -7.316 -8.585 754 HG3 LYS 90 HG3 LYS 90 -3.149 -8.930 -9.066 755 HD2 LYS 90 HD2 LYS 90 -5.580 -9.395 -9.570 756 HD3 LYS 90 HD3 LYS 90 -5.979 -7.763 -9.108 757 HE2 LYS 90 HE2 LYS 90 -4.685 -6.834 -10.965 758 HE3 LYS 90 HE3 LYS 90 -4.026 -8.418 -11.369 759 HZ1 LYS 90 HZ1 LYS 90 -6.866 -7.713 -11.505 760 HZ2 LYS 90 HZ2 LYS 90 -6.198 -9.176 -11.890 761 HZ3 LYS 90 HZ3 LYS 90 -5.826 -7.839 -12.785 762 H LEU 91 HN LEU 91 -2.719 -7.491 -4.451 763 HA LEU 91 HA LEU 91 -4.405 -8.938 -2.452 764 HB2 LEU 91 HB2 LEU 91 -2.352 -6.717 -2.097 765 HB3 LEU 91 HB3 LEU 91 -3.397 -7.265 -0.832 766 HG LEU 91 HG LEU 91 -1.436 -9.103 -2.237 767 HD11 LEU 91 HD11 LEU 91 -0.406 -8.521 0.356 768 HD12 LEU 91 HD12 LEU 91 -0.835 -6.973 -0.336 769 HD13 LEU 91 HD13 LEU 91 0.247 -8.050 -1.200 770 HD21 LEU 91 HD21 LEU 91 -2.218 -10.787 -0.939 771 HD22 LEU 91 HD22 LEU 91 -3.553 -9.750 -0.472 772 HD23 LEU 91 HD23 LEU 91 -2.129 -9.842 0.527 773 H VAL 92 HN VAL 92 -6.204 -7.921 -1.682 774 HA VAL 92 HA VAL 92 -6.860 -5.153 -2.596 775 HB VAL 92 HB VAL 92 -8.745 -7.525 -2.182 776 HG11 VAL 92 HG11 VAL 92 -9.455 -4.605 -2.744 777 HG12 VAL 92 HG12 VAL 92 -10.586 -5.947 -2.880 778 HG13 VAL 92 HG13 VAL 92 -9.913 -5.539 -1.319 779 HG21 VAL 92 HG21 VAL 92 -9.356 -7.223 -4.565 780 HG22 VAL 92 HG22 VAL 92 -8.163 -5.939 -4.724 781 HG23 VAL 92 HG23 VAL 92 -7.650 -7.586 -4.404 782 H THR 93 HN THR 93 -7.300 -3.802 -0.943 783 HA THR 93 HA THR 93 -7.959 -4.767 1.726 784 HB THR 93 HB THR 93 -5.583 -4.962 1.869 785 HG1 THR 93 HG1 THR 93 -6.444 -3.898 3.628 786 HG21 THR 93 HG21 THR 93 -3.939 -3.194 1.394 787 HG22 THR 93 HG22 THR 93 -5.197 -2.142 0.775 788 HG23 THR 93 HG23 THR 93 -4.784 -3.631 -0.077 789 H THR 94 HN THR 94 -8.721 -3.170 3.138 790 HA THR 94 HA THR 94 -9.255 -0.464 2.074 791 HB THR 94 HB THR 94 -11.629 -0.692 3.010 792 HG1 THR 94 HG1 THR 94 -11.280 -2.617 4.160 793 HG21 THR 94 HG21 THR 94 -11.357 -0.702 0.580 794 HG22 THR 94 HG22 THR 94 -12.623 -1.823 1.040 795 HG23 THR 94 HG23 THR 94 -11.043 -2.439 0.568 796 H PHE 95 HN PHE 95 -8.747 0.950 3.577 797 HA PHE 95 HA PHE 95 -8.183 0.219 6.341 798 HB2 PHE 95 HB2 PHE 95 -8.088 2.918 4.893 799 HB3 PHE 95 HB3 PHE 95 -7.500 2.607 6.504 800 HD1 PHE 95 HD1 PHE 95 -6.870 2.201 2.892 801 HD2 PHE 95 HD2 PHE 95 -5.425 1.212 6.831 802 HE1 PHE 95 HE1 PHE 95 -4.678 1.587 1.958 803 HE2 PHE 95 HE2 PHE 95 -3.246 0.610 5.861 804 HZ PHE 95 HZ PHE 95 -2.871 0.808 3.432 805 H LYS 96 HN LYS 96 -9.884 3.176 5.373 806 HA LYS 96 HA LYS 96 -12.230 2.476 7.080 807 HB2 LYS 96 HB2 LYS 96 -10.651 5.093 6.937 808 HB3 LYS 96 HB3 LYS 96 -12.196 4.915 7.725 809 HG2 LYS 96 HG2 LYS 96 -11.250 3.181 9.252 810 HG3 LYS 96 HG3 LYS 96 -9.682 3.373 8.517 811 HD2 LYS 96 HD2 LYS 96 -9.551 5.716 9.248 812 HD3 LYS 96 HD3 LYS 96 -11.175 5.651 9.887 813 HE2 LYS 96 HE2 LYS 96 -10.482 3.933 11.563 814 HE3 LYS 96 HE3 LYS 96 -8.859 3.908 10.900 815 HZ1 LYS 96 HZ1 LYS 96 -10.158 6.238 12.124 816 HZ2 LYS 96 HZ2 LYS 96 -8.631 6.212 11.503 817 HZ3 LYS 96 HZ3 LYS 96 -9.001 5.293 12.817 818 H ASN 97 HN ASN 97 -10.987 4.511 4.376 819 HA ASN 97 HA ASN 97 -13.446 4.160 2.900 820 HB2 ASN 97 HB2 ASN 97 -14.014 6.578 2.726 821 HB3 ASN 97 HB3 ASN 97 -14.211 5.964 4.332 822 HD21 ASN 97 HD21 ASN 97 -12.716 8.418 2.458 823 HD22 ASN 97 HD22 ASN 97 -11.779 9.139 3.743 824 H ILE 98 HN ILE 98 -10.597 3.504 2.614 825 HA ILE 98 HA ILE 98 -10.129 4.793 -0.023 826 HB ILE 98 HB ILE 98 -7.923 4.085 1.969 827 HG12 ILE 98 HG12 ILE 98 -8.992 6.819 1.225 828 HG13 ILE 98 HG13 ILE 98 -9.108 6.074 2.786 829 HG21 ILE 98 HG21 ILE 98 -6.405 5.159 0.313 830 HG22 ILE 98 HG22 ILE 98 -7.242 3.828 -0.438 831 HG23 ILE 98 HG23 ILE 98 -7.764 5.469 -0.760 832 HD11 ILE 98 HD11 ILE 98 -6.668 7.289 1.498 833 HD12 ILE 98 HD12 ILE 98 -7.297 7.492 3.127 834 HD13 ILE 98 HD13 ILE 98 -6.446 6.014 2.698 835 H LYS 99 HN LYS 99 -10.803 3.105 -1.292 836 HA LYS 99 HA LYS 99 -10.103 0.324 -0.835 837 HB2 LYS 99 HB2 LYS 99 -10.988 1.797 -3.377 838 HB3 LYS 99 HB3 LYS 99 -10.660 0.091 -3.267 839 HG2 LYS 99 HG2 LYS 99 -12.452 0.151 -1.283 840 HG3 LYS 99 HG3 LYS 99 -12.985 1.593 -2.096 841 HD2 LYS 99 HD2 LYS 99 -12.753 -1.209 -3.302 842 HD3 LYS 99 HD3 LYS 99 -14.229 -0.407 -2.851 843 HE2 LYS 99 HE2 LYS 99 -13.869 1.321 -4.632 844 HE3 LYS 99 HE3 LYS 99 -12.360 0.549 -5.089 845 HZ1 LYS 99 HZ1 LYS 99 -14.130 -0.138 -6.485 846 HZ2 LYS 99 HZ2 LYS 99 -15.000 -0.711 -5.210 847 HZ3 LYS 99 HZ3 LYS 99 -13.575 -1.428 -5.624 848 H SER 100 HN SER 100 -8.279 -0.747 -1.394 849 HA SER 100 HA SER 100 -6.106 0.683 -2.845 850 HB2 SER 100 HB2 SER 100 -6.133 -0.354 0.037 851 HB3 SER 100 HB3 SER 100 -4.641 -0.078 -0.854 852 HG SER 100 HG SER 100 -6.660 1.786 -0.205 853 H VAL 101 HN VAL 101 -5.714 -0.614 -4.505 854 HA VAL 101 HA VAL 101 -5.697 -3.574 -4.105 855 HB VAL 101 HB VAL 101 -6.286 -1.943 -6.616 856 HG11 VAL 101 HG11 VAL 101 -5.207 -4.044 -7.303 857 HG12 VAL 101 HG12 VAL 101 -6.252 -4.975 -6.232 858 HG13 VAL 101 HG13 VAL 101 -6.920 -4.155 -7.639 859 HG21 VAL 101 HG21 VAL 101 -8.210 -1.820 -5.105 860 HG22 VAL 101 HG22 VAL 101 -8.595 -2.899 -6.432 861 HG23 VAL 101 HG23 VAL 101 -8.179 -3.561 -4.854 862 H THR 102 HN THR 102 -3.868 -4.585 -4.523 863 HA THR 102 HA THR 102 -1.532 -3.198 -5.783 864 HB THR 102 HB THR 102 -1.682 -5.484 -3.740 865 HG1 THR 102 HG1 THR 102 -2.171 -3.484 -2.859 866 HG21 THR 102 HG21 THR 102 0.798 -4.097 -4.871 867 HG22 THR 102 HG22 THR 102 0.398 -5.809 -5.008 868 HG23 THR 102 HG23 THR 102 0.799 -5.133 -3.446 869 H GLU 103 HN GLU 103 -0.327 -4.463 -7.267 870 HA GLU 103 HA GLU 103 -1.236 -7.171 -8.007 871 HB2 GLU 103 HB2 GLU 103 -2.394 -5.592 -9.554 872 HB3 GLU 103 HB3 GLU 103 -0.895 -4.798 -9.885 873 HG2 GLU 103 HG2 GLU 103 -0.014 -6.948 -10.948 874 HG3 GLU 103 HG3 GLU 103 -1.599 -7.649 -10.715 875 H LEU 104 HN LEU 104 0.402 -8.466 -8.626 876 HA LEU 104 HA LEU 104 3.157 -7.400 -9.022 877 HB2 LEU 104 HB2 LEU 104 3.156 -8.687 -6.970 878 HB3 LEU 104 HB3 LEU 104 2.091 -9.887 -7.634 879 HG LEU 104 HG LEU 104 3.887 -10.701 -9.160 880 HD11 LEU 104 HD11 LEU 104 5.693 -8.763 -7.647 881 HD12 LEU 104 HD12 LEU 104 5.327 -8.713 -9.377 882 HD13 LEU 104 HD13 LEU 104 6.248 -10.047 -8.701 883 HD21 LEU 104 HD21 LEU 104 4.230 -12.223 -7.568 884 HD22 LEU 104 HD22 LEU 104 3.651 -11.122 -6.332 885 HD23 LEU 104 HD23 LEU 104 5.355 -11.157 -6.752 886 H ASN 105 HN ASN 105 3.744 -7.629 -11.107 887 HA ASN 105 HA ASN 105 2.818 -9.937 -12.692 888 HB2 ASN 105 HB2 ASN 105 2.490 -6.971 -13.359 889 HB3 ASN 105 HB3 ASN 105 2.957 -8.037 -14.647 890 HD21 ASN 105 HD21 ASN 105 0.644 -9.073 -12.085 891 HD22 ASN 105 HD22 ASN 105 -0.695 -9.199 -13.201 892 H GLY 106 HN GLY 106 4.876 -10.816 -12.097 893 HA2 GLY 106 HA2 GLY 106 7.002 -11.433 -12.675 894 HA3 GLY 106 HA1 GLY 106 7.016 -10.221 -13.944 895 H ASP 107 HN ASP 107 8.189 -8.335 -13.595 896 HA ASP 107 HA ASP 107 9.351 -7.808 -10.924 897 HB2 ASP 107 HB2 ASP 107 10.747 -6.075 -12.233 898 HB3 ASP 107 HB3 ASP 107 11.134 -7.782 -12.363 899 H ILE 108 HN ILE 108 6.836 -6.684 -13.055 900 HA ILE 108 HA ILE 108 6.858 -3.934 -12.141 901 HB ILE 108 HB ILE 108 4.662 -5.474 -13.605 902 HG12 ILE 108 HG12 ILE 108 6.579 -5.714 -14.984 903 HG13 ILE 108 HG13 ILE 108 5.545 -4.539 -15.715 904 HG21 ILE 108 HG21 ILE 108 3.752 -3.382 -12.732 905 HG22 ILE 108 HG22 ILE 108 5.111 -2.469 -13.372 906 HG23 ILE 108 HG23 ILE 108 3.956 -3.230 -14.461 907 HD11 ILE 108 HD11 ILE 108 7.724 -3.606 -15.946 908 HD12 ILE 108 HD12 ILE 108 7.129 -2.741 -14.536 909 HD13 ILE 108 HD13 ILE 108 8.225 -4.105 -14.340 910 H ILE 109 HN ILE 109 5.706 -3.030 -10.518 911 HA ILE 109 HA ILE 109 3.610 -4.607 -9.108 912 HB ILE 109 HB ILE 109 5.582 -2.604 -7.967 913 HG12 ILE 109 HG12 ILE 109 6.646 -4.696 -8.203 914 HG13 ILE 109 HG13 ILE 109 6.388 -4.362 -6.518 915 HG21 ILE 109 HG21 ILE 109 4.528 -3.047 -5.718 916 HG22 ILE 109 HG22 ILE 109 3.466 -2.169 -6.790 917 HG23 ILE 109 HG23 ILE 109 3.210 -3.885 -6.527 918 HD11 ILE 109 HD11 ILE 109 5.272 -6.538 -8.224 919 HD12 ILE 109 HD12 ILE 109 5.684 -6.571 -6.514 920 HD13 ILE 109 HD13 ILE 109 4.142 -5.912 -7.035 921 H THR 110 HN THR 110 1.914 -3.824 -10.305 922 HA THR 110 HA THR 110 1.505 -0.931 -10.672 923 HB THR 110 HB THR 110 -0.356 -3.276 -11.315 924 HG1 THR 110 HG1 THR 110 0.496 -3.318 -13.262 925 HG21 THR 110 HG21 THR 110 -1.570 -1.098 -11.310 926 HG22 THR 110 HG22 THR 110 -1.389 -1.707 -12.946 927 HG23 THR 110 HG23 THR 110 -0.347 -0.407 -12.373 928 H ASN 111 HN ASN 111 0.359 0.296 -9.199 929 HA ASN 111 HA ASN 111 -1.434 -1.067 -7.209 930 HB2 ASN 111 HB2 ASN 111 1.035 -0.066 -6.506 931 HB3 ASN 111 HB3 ASN 111 0.133 1.418 -6.441 932 HD21 ASN 111 HD21 ASN 111 0.790 -1.697 -4.983 933 HD22 ASN 111 HD22 ASN 111 -0.253 -1.539 -3.597 934 H THR 112 HN THR 112 -3.309 -0.102 -6.778 935 HA THR 112 HA THR 112 -3.916 2.551 -7.935 936 HB THR 112 HB THR 112 -5.545 0.001 -8.441 937 HG1 THR 112 HG1 THR 112 -3.817 0.370 -9.844 938 HG21 THR 112 HG21 THR 112 -6.279 2.914 -9.063 939 HG22 THR 112 HG22 THR 112 -7.193 1.805 -8.051 940 HG23 THR 112 HG23 THR 112 -7.086 1.521 -9.777 941 H MET 113 HN MET 113 -4.718 3.726 -6.356 942 HA MET 113 HA MET 113 -6.384 2.499 -4.225 943 HB2 MET 113 HB2 MET 113 -4.519 4.918 -4.064 944 HB3 MET 113 HB3 MET 113 -5.591 4.388 -2.797 945 HG2 MET 113 HG2 MET 113 -4.345 2.271 -2.544 946 HG3 MET 113 HG3 MET 113 -3.341 2.643 -3.911 947 HE1 MET 113 HE1 MET 113 -4.264 3.758 -0.210 948 HE2 MET 113 HE2 MET 113 -3.035 4.990 0.088 949 HE3 MET 113 HE3 MET 113 -4.339 5.315 -1.054 950 H THR 114 HN THR 114 -8.170 3.850 -3.498 951 HA THR 114 HA THR 114 -8.885 6.181 -5.153 952 HB THR 114 HB THR 114 -10.695 3.740 -4.805 953 HG1 THR 114 HG1 THR 114 -9.181 3.689 -6.504 954 HG21 THR 114 HG21 THR 114 -12.370 5.043 -6.189 955 HG22 THR 114 HG22 THR 114 -11.388 6.490 -5.981 956 HG23 THR 114 HG23 THR 114 -12.161 5.735 -4.595 957 H LEU 115 HN LEU 115 -9.194 7.737 -3.760 958 HA LEU 115 HA LEU 115 -10.632 7.287 -1.194 959 HB2 LEU 115 HB2 LEU 115 -8.321 7.741 -0.713 960 HB3 LEU 115 HB3 LEU 115 -8.199 8.992 -1.885 961 HG LEU 115 HG LEU 115 -8.234 9.560 0.592 962 HD11 LEU 115 HD11 LEU 115 -8.805 11.151 -1.584 963 HD12 LEU 115 HD12 LEU 115 -8.462 11.701 0.038 964 HD13 LEU 115 HD13 LEU 115 -10.126 11.534 -0.498 965 HD21 LEU 115 HD21 LEU 115 -10.724 8.317 0.763 966 HD22 LEU 115 HD22 LEU 115 -11.134 10.019 0.791 967 HD23 LEU 115 HD23 LEU 115 -9.989 9.367 1.951 968 H GLY 116 HN GLY 116 -12.659 7.919 -1.722 969 HA2 GLY 116 HA2 GLY 116 -14.419 9.206 -2.386 970 HA3 GLY 116 HA1 GLY 116 -13.367 10.609 -2.296 971 H ASP 117 HN ASP 117 -13.513 11.692 -4.210 972 HA ASP 117 HA ASP 117 -14.040 10.470 -6.758 973 HB2 ASP 117 HB2 ASP 117 -13.685 12.875 -7.611 974 HB3 ASP 117 HB3 ASP 117 -14.980 12.629 -6.519 975 H ILE 118 HN ILE 118 -11.103 10.819 -5.011 976 HA ILE 118 HA ILE 118 -9.406 11.333 -7.373 977 HB ILE 118 HB ILE 118 -8.652 10.983 -4.431 978 HG12 ILE 118 HG12 ILE 118 -9.127 13.605 -5.900 979 HG13 ILE 118 HG13 ILE 118 -10.246 12.920 -4.762 980 HG21 ILE 118 HG21 ILE 118 -6.555 12.190 -5.058 981 HG22 ILE 118 HG22 ILE 118 -6.690 10.680 -5.919 982 HG23 ILE 118 HG23 ILE 118 -7.056 12.195 -6.740 983 HD11 ILE 118 HD11 ILE 118 -8.086 12.928 -3.129 984 HD12 ILE 118 HD12 ILE 118 -7.647 14.256 -4.202 985 HD13 ILE 118 HD13 ILE 118 -9.162 14.309 -3.309 986 H VAL 119 HN VAL 119 -8.166 9.756 -8.331 987 HA VAL 119 HA VAL 119 -8.089 7.026 -7.111 988 HB VAL 119 HB VAL 119 -8.374 7.756 -10.056 989 HG11 VAL 119 HG11 VAL 119 -8.312 5.007 -8.712 990 HG12 VAL 119 HG12 VAL 119 -8.746 5.295 -10.392 991 HG13 VAL 119 HG13 VAL 119 -7.122 5.626 -9.845 992 HG21 VAL 119 HG21 VAL 119 -10.449 6.569 -8.168 993 HG22 VAL 119 HG22 VAL 119 -10.517 8.161 -8.916 994 HG23 VAL 119 HG23 VAL 119 -10.632 6.724 -9.909 995 H PHE 120 HN PHE 120 -6.068 7.475 -6.149 996 HA PHE 120 HA PHE 120 -3.750 8.312 -7.625 997 HB2 PHE 120 HB2 PHE 120 -3.913 8.766 -5.290 998 HB3 PHE 120 HB3 PHE 120 -4.180 7.102 -4.870 999 HD1 PHE 120 HD1 PHE 120 -2.287 5.832 -4.117 1000 HD2 PHE 120 HD2 PHE 120 -1.647 9.288 -6.611 1001 HE1 PHE 120 HE1 PHE 120 0.150 5.598 -3.849 1002 HE2 PHE 120 HE2 PHE 120 0.776 8.993 -6.372 1003 HZ PHE 120 HZ PHE 120 1.680 7.184 -4.961 1004 H LYS 121 HN LYS 121 -2.092 7.173 -8.560 1005 HA LYS 121 HA LYS 121 -2.113 4.220 -8.397 1006 HB2 LYS 121 HB2 LYS 121 -2.081 5.929 -10.935 1007 HB3 LYS 121 HB3 LYS 121 -1.183 4.460 -10.879 1008 HG2 LYS 121 HG2 LYS 121 -3.022 3.584 -11.776 1009 HG3 LYS 121 HG3 LYS 121 -3.299 3.246 -10.112 1010 HD2 LYS 121 HD2 LYS 121 -5.381 3.968 -10.971 1011 HD3 LYS 121 HD3 LYS 121 -4.818 5.258 -9.962 1012 HE2 LYS 121 HE2 LYS 121 -5.834 6.107 -12.047 1013 HE3 LYS 121 HE3 LYS 121 -4.164 6.599 -11.935 1014 HZ1 LYS 121 HZ1 LYS 121 -3.561 4.894 -13.436 1015 HZ2 LYS 121 HZ2 LYS 121 -4.778 5.768 -14.102 1016 HZ3 LYS 121 HZ3 LYS 121 -5.099 4.274 -13.475 1017 H ARG 122 HN ARG 122 -0.160 3.217 -8.611 1018 HA ARG 122 HA ARG 122 2.284 4.807 -9.065 1019 HB2 ARG 122 HB2 ARG 122 1.974 2.627 -6.930 1020 HB3 ARG 122 HB3 ARG 122 3.501 3.193 -7.539 1021 HG2 ARG 122 HG2 ARG 122 3.045 5.508 -6.629 1022 HG3 ARG 122 HG3 ARG 122 1.483 4.911 -6.141 1023 HD2 ARG 122 HD2 ARG 122 3.253 5.015 -4.317 1024 HD3 ARG 122 HD3 ARG 122 2.277 3.565 -4.380 1025 HE ARG 122 HE ARG 122 4.715 3.353 -5.944 1026 HH11 ARG 122 HH11 ARG 122 3.705 3.461 -2.531 1027 HH12 ARG 122 HH12 ARG 122 5.094 2.562 -1.975 1028 HH21 ARG 122 HH21 ARG 122 6.502 2.124 -5.177 1029 HH22 ARG 122 HH22 ARG 122 6.665 1.809 -3.468 1030 H ILE 123 HN ILE 123 3.786 3.700 -10.278 1031 HA ILE 123 HA ILE 123 3.422 0.799 -10.775 1032 HB ILE 123 HB ILE 123 4.489 2.794 -12.847 1033 HG12 ILE 123 HG12 ILE 123 2.529 1.704 -14.234 1034 HG13 ILE 123 HG13 ILE 123 1.832 1.316 -12.694 1035 HG21 ILE 123 HG21 ILE 123 4.164 -0.240 -13.003 1036 HG22 ILE 123 HG22 ILE 123 4.659 0.799 -14.335 1037 HG23 ILE 123 HG23 ILE 123 5.699 0.624 -12.945 1038 HD11 ILE 123 HD11 ILE 123 2.636 4.185 -12.836 1039 HD12 ILE 123 HD12 ILE 123 1.558 3.730 -14.146 1040 HD13 ILE 123 HD13 ILE 123 1.061 3.488 -12.480 1041 H SER 124 HN SER 124 5.138 -0.188 -9.923 1042 HA SER 124 HA SER 124 7.767 1.212 -9.642 1043 HB2 SER 124 HB2 SER 124 6.289 -0.652 -7.689 1044 HB3 SER 124 HB3 SER 124 7.972 -0.216 -7.513 1045 HG SER 124 HG SER 124 5.749 1.526 -7.560 1046 H LYS 125 HN LYS 125 9.614 -0.297 -9.747 1047 HA LYS 125 HA LYS 125 9.040 -2.903 -11.051 1048 HB2 LYS 125 HB2 LYS 125 9.443 -1.225 -12.840 1049 HB3 LYS 125 HB3 LYS 125 10.991 -0.819 -12.134 1050 HG2 LYS 125 HG2 LYS 125 11.769 -3.182 -12.530 1051 HG3 LYS 125 HG3 LYS 125 10.196 -3.596 -13.151 1052 HD2 LYS 125 HD2 LYS 125 10.575 -1.871 -14.999 1053 HD3 LYS 125 HD3 LYS 125 12.189 -1.632 -14.369 1054 HE2 LYS 125 HE2 LYS 125 12.609 -4.147 -14.687 1055 HE3 LYS 125 HE3 LYS 125 11.040 -4.256 -15.466 1056 HZ1 LYS 125 HZ1 LYS 125 13.285 -2.594 -16.363 1057 HZ2 LYS 125 HZ2 LYS 125 11.814 -2.697 -17.102 1058 HZ3 LYS 125 HZ3 LYS 125 12.793 -4.021 -17.029 1059 H ARG 126 HN ARG 126 10.410 -4.508 -10.575 1060 HA ARG 126 HA ARG 126 11.789 -4.500 -8.168 1061 HB2 ARG 126 HB2 ARG 126 10.642 -6.381 -9.362 1062 HB3 ARG 126 HB3 ARG 126 12.019 -6.528 -10.421 1063 HG2 ARG 126 HG2 ARG 126 13.450 -7.255 -8.525 1064 HG3 ARG 126 HG3 ARG 126 12.228 -6.718 -7.411 1065 HD2 ARG 126 HD2 ARG 126 12.220 -9.182 -7.597 1066 HD3 ARG 126 HD3 ARG 126 10.683 -8.435 -7.881 1067 HE ARG 126 HE ARG 126 10.819 -9.041 -10.159 1068 HH11 ARG 126 HH11 ARG 126 13.837 -9.973 -8.508 1069 HH12 ARG 126 HH12 ARG 126 14.375 -10.988 -9.819 1070 HH21 ARG 126 HH21 ARG 126 11.540 -10.373 -11.844 1071 HH22 ARG 126 HH22 ARG 126 13.059 -11.216 -11.721 1072 H ILE 127 HN ILE 127 13.905 -4.420 -7.527 1073 HA ILE 127 HA ILE 127 15.861 -3.275 -9.431 1074 HB ILE 127 HB ILE 127 16.298 -3.545 -6.440 1075 HG12 ILE 127 HG12 ILE 127 14.847 -1.239 -7.759 1076 HG13 ILE 127 HG13 ILE 127 14.137 -2.375 -6.661 1077 HG21 ILE 127 HG21 ILE 127 18.259 -2.931 -7.899 1078 HG22 ILE 127 HG22 ILE 127 17.367 -1.537 -8.493 1079 HG23 ILE 127 HG23 ILE 127 17.854 -1.633 -6.807 1080 HD11 ILE 127 HD11 ILE 127 16.307 -1.378 -5.161 1081 HD12 ILE 127 HD12 ILE 127 15.708 0.021 -6.032 1082 HD13 ILE 127 HD13 ILE 127 14.621 -0.914 -5.010 Start of MODEL 5 1 H1 HIS -7 HN HIS -7 9.070 -28.548 2.183 2 HA HIS -7 HA HIS -7 9.878 -26.459 1.881 3 HB2 HIS -7 HB2 HIS -7 11.681 -25.952 0.107 4 HB3 HIS -7 HB3 HIS -7 12.307 -27.123 1.220 5 HD1 HIS -7 HD1 HIS -7 13.139 -29.341 0.268 6 HD2 HIS -7 HD2 HIS -7 10.975 -27.103 -2.584 7 HE1 HIS -7 HE1 HIS -7 13.376 -30.470 -1.981 8 H HIS -6 HN HIS -6 8.938 -24.959 0.610 9 HA HIS -6 HA HIS -6 7.421 -24.092 -0.711 10 HB2 HIS -6 HB2 HIS -6 9.648 -24.441 -2.023 11 HB3 HIS -6 HB3 HIS -6 8.783 -25.594 -2.989 12 HD1 HIS -6 HD1 HIS -6 6.156 -24.216 -3.652 13 HD2 HIS -6 HD2 HIS -6 9.755 -22.036 -3.373 14 HE1 HIS -6 HE1 HIS -6 5.868 -22.031 -4.904 15 H HIS -5 HN HIS -5 5.896 -25.729 0.483 16 HA HIS -5 HA HIS -5 4.551 -27.736 -1.055 17 HB2 HIS -5 HB2 HIS -5 3.739 -26.148 1.431 18 HB3 HIS -5 HB3 HIS -5 2.814 -27.474 0.785 19 HD1 HIS -5 HD1 HIS -5 3.200 -29.597 2.014 20 HD2 HIS -5 HD2 HIS -5 6.687 -27.225 2.000 21 HE1 HIS -5 HE1 HIS -5 4.997 -30.808 3.319 22 H HIS -4 HN HIS -4 2.595 -27.673 -2.165 23 HA HIS -4 HA HIS -4 1.936 -25.237 -3.514 24 HB2 HIS -4 HB2 HIS -4 0.558 -27.959 -3.416 25 HB3 HIS -4 HB3 HIS -4 0.041 -26.658 -4.452 26 HD1 HIS -4 HD1 HIS -4 3.378 -26.008 -4.948 27 HD2 HIS -4 HD2 HIS -4 1.075 -29.400 -5.943 28 HE1 HIS -4 HE1 HIS -4 4.536 -27.232 -6.832 29 H HIS -3 HN HIS -3 0.070 -24.082 -3.582 30 HA HIS -3 HA HIS -3 -1.910 -24.056 -1.491 31 HB2 HIS -3 HB2 HIS -3 -1.198 -21.861 -0.558 32 HB3 HIS -3 HB3 HIS -3 -0.049 -23.108 -0.198 33 HD1 HIS -3 HD1 HIS -3 0.483 -19.969 -0.215 34 HD2 HIS -3 HD2 HIS -3 1.740 -22.640 -3.228 35 HE1 HIS -3 HE1 HIS -3 2.442 -18.941 -1.437 36 H HIS -2 HN HIS -2 -3.433 -22.253 -1.861 37 HA HIS -2 HA HIS -2 -3.854 -21.955 -4.705 38 HB2 HIS -2 HB2 HIS -2 -5.528 -22.609 -2.779 39 HB3 HIS -2 HB3 HIS -2 -5.701 -20.896 -2.535 40 HD1 HIS -2 HD1 HIS -2 -8.242 -21.951 -3.211 41 HD2 HIS -2 HD2 HIS -2 -5.501 -21.360 -6.365 42 HE1 HIS -2 HE1 HIS -2 -9.522 -21.932 -5.394 43 H VAL -1 HN VAL -1 -1.601 -20.447 -3.876 44 HA VAL -1 HA VAL -1 -2.402 -17.669 -4.562 45 HB VAL -1 HB VAL -1 -0.440 -18.564 -2.399 46 HG11 VAL -1 HG11 VAL -1 0.692 -16.716 -3.451 47 HG12 VAL -1 HG12 VAL -1 -0.784 -15.761 -3.528 48 HG13 VAL -1 HG13 VAL -1 -0.020 -16.104 -1.980 49 HG21 VAL -1 HG21 VAL -1 -3.019 -16.978 -2.165 50 HG22 VAL -1 HG22 VAL -1 -2.669 -18.561 -1.488 51 HG23 VAL -1 HG23 VAL -1 -1.839 -17.150 -0.867 52 H ALA 0 HN ALA 0 -1.444 -17.197 -6.424 53 HA ALA 0 HA ALA 0 0.951 -18.561 -7.426 54 HB1 ALA 0 HB1 ALA 0 -0.800 -16.305 -8.553 55 HB2 ALA 0 HB2 ALA 0 0.483 -17.126 -9.434 56 HB3 ALA 0 HB3 ALA 0 -0.952 -18.014 -8.945 57 H MET 1 HN MET 1 2.713 -17.178 -8.345 58 HA MET 1 HA MET 1 4.451 -15.829 -8.175 59 HB2 MET 1 HB2 MET 1 2.468 -13.800 -6.992 60 HB3 MET 1 HB3 MET 1 4.080 -13.402 -7.451 61 HG2 MET 1 HG2 MET 1 2.142 -14.512 -9.484 62 HG3 MET 1 HG3 MET 1 2.347 -12.813 -9.116 63 HE1 MET 1 HE1 MET 1 2.557 -13.751 -12.021 64 HE2 MET 1 HE2 MET 1 2.786 -12.091 -11.459 65 HE3 MET 1 HE3 MET 1 3.973 -12.828 -12.548 66 H SER 2 HN SER 2 5.470 -14.026 -6.424 67 HA SER 2 HA SER 2 5.372 -15.044 -3.703 68 HB2 SER 2 HB2 SER 2 7.807 -15.333 -3.539 69 HB3 SER 2 HB3 SER 2 7.145 -16.452 -4.707 70 HG SER 2 HG SER 2 9.049 -15.423 -5.429 71 H PHE 3 HN PHE 3 4.953 -13.303 -2.560 72 HA PHE 3 HA PHE 3 5.578 -10.590 -3.448 73 HB2 PHE 3 HB2 PHE 3 4.095 -11.761 -1.063 74 HB3 PHE 3 HB3 PHE 3 4.389 -10.063 -1.224 75 HD1 PHE 3 HD1 PHE 3 3.290 -8.715 -3.024 76 HD2 PHE 3 HD2 PHE 3 2.428 -12.913 -2.500 77 HE1 PHE 3 HE1 PHE 3 1.225 -8.482 -4.345 78 HE2 PHE 3 HE2 PHE 3 0.400 -12.650 -3.855 79 HZ PHE 3 HZ PHE 3 -0.219 -10.438 -4.746 80 H SER 4 HN SER 4 7.955 -11.864 -3.321 81 HA SER 4 HA SER 4 9.324 -10.620 -1.010 82 HB2 SER 4 HB2 SER 4 10.739 -12.589 -0.775 83 HB3 SER 4 HB3 SER 4 9.066 -12.997 -0.490 84 HG SER 4 HG SER 4 10.488 -13.422 -2.910 85 H GLY 5 HN GLY 5 10.528 -9.044 -1.819 86 HA2 GLY 5 HA2 GLY 5 12.721 -9.232 -3.464 87 HA3 GLY 5 HA1 GLY 5 11.395 -8.940 -4.594 88 H LYS 6 HN LYS 6 13.377 -7.018 -4.333 89 HA LYS 6 HA LYS 6 12.040 -4.776 -2.891 90 HB2 LYS 6 HB2 LYS 6 14.298 -5.663 -1.991 91 HB3 LYS 6 HB3 LYS 6 15.030 -5.040 -3.428 92 HG2 LYS 6 HG2 LYS 6 13.287 -3.011 -2.129 93 HG3 LYS 6 HG3 LYS 6 14.369 -3.699 -0.967 94 HD2 LYS 6 HD2 LYS 6 15.271 -2.514 -3.608 95 HD3 LYS 6 HD3 LYS 6 15.169 -1.599 -2.127 96 HE2 LYS 6 HE2 LYS 6 16.821 -3.209 -1.055 97 HE3 LYS 6 HE3 LYS 6 16.991 -4.023 -2.598 98 HZ1 LYS 6 HZ1 LYS 6 17.593 -1.199 -2.080 99 HZ2 LYS 6 HZ2 LYS 6 17.756 -1.959 -3.536 100 HZ3 LYS 6 HZ3 LYS 6 18.691 -2.416 -2.258 101 H TYR 7 HN TYR 7 11.719 -2.910 -3.962 102 HA TYR 7 HA TYR 7 12.120 -2.886 -6.907 103 HB2 TYR 7 HB2 TYR 7 9.559 -2.155 -5.401 104 HB3 TYR 7 HB3 TYR 7 9.744 -2.353 -7.116 105 HD1 TYR 7 HD1 TYR 7 9.754 -4.645 -8.111 106 HD2 TYR 7 HD2 TYR 7 9.250 -4.047 -3.875 107 HE1 TYR 7 HE1 TYR 7 9.047 -7.004 -7.871 108 HE2 TYR 7 HE2 TYR 7 8.499 -6.399 -3.646 109 HH TYR 7 HH TYR 7 8.298 -8.648 -6.419 110 H GLN 8 HN GLN 8 12.057 -0.828 -7.908 111 HA GLN 8 HA GLN 8 12.378 1.553 -6.114 112 HB2 GLN 8 HB2 GLN 8 13.829 2.469 -7.788 113 HB3 GLN 8 HB3 GLN 8 14.399 0.893 -7.372 114 HG2 GLN 8 HG2 GLN 8 12.753 0.362 -9.618 115 HG3 GLN 8 HG3 GLN 8 13.388 1.940 -9.977 116 HE21 GLN 8 HE21 GLN 8 13.873 -1.238 -10.576 117 HE22 GLN 8 HE22 GLN 8 15.602 -1.254 -10.807 118 H LEU 9 HN LEU 9 11.250 3.475 -6.739 119 HA LEU 9 HA LEU 9 8.715 3.121 -7.995 120 HB2 LEU 9 HB2 LEU 9 9.847 4.975 -6.302 121 HB3 LEU 9 HB3 LEU 9 9.873 5.890 -7.766 122 HG LEU 9 HG LEU 9 7.470 4.614 -6.421 123 HD11 LEU 9 HD11 LEU 9 6.788 6.879 -5.816 124 HD12 LEU 9 HD12 LEU 9 8.158 7.574 -6.679 125 HD13 LEU 9 HD13 LEU 9 8.414 6.596 -5.233 126 HD21 LEU 9 HD21 LEU 9 7.639 5.750 -9.158 127 HD22 LEU 9 HD22 LEU 9 6.362 6.445 -8.192 128 HD23 LEU 9 HD23 LEU 9 6.417 4.710 -8.426 129 H GLN 10 HN GLN 10 8.065 3.378 -10.079 130 HA GLN 10 HA GLN 10 10.026 4.246 -12.157 131 HB2 GLN 10 HB2 GLN 10 7.468 2.579 -12.387 132 HB3 GLN 10 HB3 GLN 10 8.472 3.060 -13.719 133 HG2 GLN 10 HG2 GLN 10 9.384 1.250 -11.418 134 HG3 GLN 10 HG3 GLN 10 8.823 0.699 -12.971 135 HE21 GLN 10 HE21 GLN 10 11.486 2.282 -11.247 136 HE22 GLN 10 HE22 GLN 10 12.661 2.107 -12.525 137 H SER 11 HN SER 11 6.450 4.329 -11.637 138 HA SER 11 HA SER 11 6.383 7.223 -12.248 139 HB2 SER 11 HB2 SER 11 5.303 4.967 -13.987 140 HB3 SER 11 HB3 SER 11 4.329 6.411 -13.840 141 HG SER 11 HG SER 11 5.771 6.588 -15.542 142 H GLN 12 HN GLN 12 4.145 8.099 -12.049 143 HA GLN 12 HA GLN 12 2.286 6.761 -10.366 144 HB2 GLN 12 HB2 GLN 12 2.530 8.219 -8.369 145 HB3 GLN 12 HB3 GLN 12 3.927 7.218 -8.632 146 HG2 GLN 12 HG2 GLN 12 5.111 9.209 -9.702 147 HG3 GLN 12 HG3 GLN 12 3.728 10.200 -9.287 148 HE21 GLN 12 HE21 GLN 12 5.462 11.446 -8.180 149 HE22 GLN 12 HE22 GLN 12 5.912 10.989 -6.557 150 H GLU 13 HN GLU 13 0.320 7.739 -10.370 151 HA GLU 13 HA GLU 13 -0.015 10.287 -11.888 152 HB2 GLU 13 HB2 GLU 13 -1.808 7.818 -12.101 153 HB3 GLU 13 HB3 GLU 13 -1.981 9.309 -12.953 154 HG2 GLU 13 HG2 GLU 13 -1.094 7.863 -14.572 155 HG3 GLU 13 HG3 GLU 13 0.271 8.846 -14.109 156 H ASN 14 HN ASN 14 -1.759 11.577 -11.210 157 HA ASN 14 HA ASN 14 -2.937 12.652 -9.775 158 HB2 ASN 14 HB2 ASN 14 -4.049 9.869 -9.458 159 HB3 ASN 14 HB3 ASN 14 -4.500 10.925 -8.170 160 HD21 ASN 14 HD21 ASN 14 -6.034 9.700 -10.476 161 HD22 ASN 14 HD22 ASN 14 -6.956 11.060 -11.075 162 H PHE 15 HN PHE 15 -0.212 11.678 -8.892 163 HA PHE 15 HA PHE 15 -0.133 11.181 -6.146 164 HB2 PHE 15 HB2 PHE 15 1.762 10.732 -7.556 165 HB3 PHE 15 HB3 PHE 15 1.932 12.402 -8.007 166 HD1 PHE 15 HD1 PHE 15 2.402 9.931 -5.254 167 HD2 PHE 15 HD2 PHE 15 2.943 14.045 -6.427 168 HE1 PHE 15 HE1 PHE 15 3.813 10.324 -3.289 169 HE2 PHE 15 HE2 PHE 15 4.317 14.408 -4.428 170 HZ PHE 15 HZ PHE 15 4.757 12.553 -2.863 171 H GLU 16 HN GLU 16 0.495 14.398 -7.693 172 HA GLU 16 HA GLU 16 0.561 15.781 -5.243 173 HB2 GLU 16 HB2 GLU 16 -0.063 16.915 -8.000 174 HB3 GLU 16 HB3 GLU 16 0.456 17.819 -6.603 175 HG2 GLU 16 HG2 GLU 16 2.631 16.422 -6.622 176 HG3 GLU 16 HG3 GLU 16 2.105 15.735 -8.135 177 H ALA 17 HN ALA 17 -2.212 15.082 -7.405 178 HA ALA 17 HA ALA 17 -4.130 16.754 -6.175 179 HB1 ALA 17 HB1 ALA 17 -5.774 15.212 -7.275 180 HB2 ALA 17 HB2 ALA 17 -4.487 15.690 -8.375 181 HB3 ALA 17 HB3 ALA 17 -4.471 14.088 -7.645 182 H PHE 18 HN PHE 18 -3.307 13.306 -5.527 183 HA PHE 18 HA PHE 18 -5.144 12.947 -3.386 184 HB2 PHE 18 HB2 PHE 18 -4.384 11.094 -4.699 185 HB3 PHE 18 HB3 PHE 18 -2.711 11.403 -4.352 186 HD1 PHE 18 HD1 PHE 18 -1.684 10.630 -2.267 187 HD2 PHE 18 HD2 PHE 18 -5.922 10.161 -2.916 188 HE1 PHE 18 HE1 PHE 18 -1.839 9.154 -0.300 189 HE2 PHE 18 HE2 PHE 18 -6.031 8.670 -0.954 190 HZ PHE 18 HZ PHE 18 -4.007 8.179 0.351 191 H MET 19 HN MET 19 -1.629 13.698 -3.387 192 HA MET 19 HA MET 19 -1.265 13.523 -0.591 193 HB2 MET 19 HB2 MET 19 0.347 15.035 -2.667 194 HB3 MET 19 HB3 MET 19 0.840 14.695 -1.022 195 HG2 MET 19 HG2 MET 19 0.113 12.277 -2.652 196 HG3 MET 19 HG3 MET 19 1.517 13.170 -3.146 197 HE1 MET 19 HE1 MET 19 1.137 10.344 0.385 198 HE2 MET 19 HE2 MET 19 -0.213 11.366 -0.129 199 HE3 MET 19 HE3 MET 19 0.478 10.180 -1.248 200 H LYS 20 HN LYS 20 -2.159 16.319 -2.666 201 HA LYS 20 HA LYS 20 -2.064 18.244 -0.496 202 HB2 LYS 20 HB2 LYS 20 -3.232 18.346 -3.311 203 HB3 LYS 20 HB3 LYS 20 -3.240 19.702 -2.234 204 HG2 LYS 20 HG2 LYS 20 -0.691 18.318 -3.195 205 HG3 LYS 20 HG3 LYS 20 -1.374 19.729 -3.932 206 HD2 LYS 20 HD2 LYS 20 -0.315 19.554 -1.067 207 HD3 LYS 20 HD3 LYS 20 0.563 20.171 -2.428 208 HE2 LYS 20 HE2 LYS 20 -1.180 21.990 -2.716 209 HE3 LYS 20 HE3 LYS 20 -1.997 21.402 -1.276 210 HZ1 LYS 20 HZ1 LYS 20 0.001 21.815 -0.038 211 HZ2 LYS 20 HZ2 LYS 20 -0.535 23.188 -0.778 212 HZ3 LYS 20 HZ3 LYS 20 0.764 22.377 -1.387 213 H ALA 21 HN ALA 21 -4.535 16.053 -1.822 214 HA ALA 21 HA ALA 21 -6.772 17.314 -0.533 215 HB1 ALA 21 HB1 ALA 21 -7.103 15.906 -2.495 216 HB2 ALA 21 HB2 ALA 21 -6.424 14.500 -1.678 217 HB3 ALA 21 HB3 ALA 21 -7.951 15.189 -1.134 218 H ILE 22 HN ILE 22 -4.539 14.639 0.429 219 HA ILE 22 HA ILE 22 -5.880 14.310 3.008 220 HB ILE 22 HB ILE 22 -4.166 12.745 3.569 221 HG12 ILE 22 HG12 ILE 22 -2.772 13.276 0.945 222 HG13 ILE 22 HG13 ILE 22 -2.166 13.834 2.474 223 HG21 ILE 22 HG21 ILE 22 -5.143 12.181 0.739 224 HG22 ILE 22 HG22 ILE 22 -4.676 10.989 1.944 225 HG23 ILE 22 HG23 ILE 22 -6.090 11.989 2.209 226 HD11 ILE 22 HD11 ILE 22 -2.202 11.040 1.380 227 HD12 ILE 22 HD12 ILE 22 -0.964 11.849 2.325 228 HD13 ILE 22 HD13 ILE 22 -2.386 11.203 3.123 229 H GLY 23 HN GLY 23 -3.686 16.617 1.785 230 HA2 GLY 23 HA2 GLY 23 -3.193 18.560 2.850 231 HA3 GLY 23 HA1 GLY 23 -3.756 17.906 4.370 232 H LEU 24 HN LEU 24 -1.116 16.372 2.419 233 HA LEU 24 HA LEU 24 0.829 16.673 4.527 234 HB2 LEU 24 HB2 LEU 24 0.915 15.767 1.618 235 HB3 LEU 24 HB3 LEU 24 2.382 15.880 2.533 236 HG LEU 24 HG LEU 24 0.001 14.187 3.404 237 HD11 LEU 24 HD11 LEU 24 0.724 13.202 1.398 238 HD12 LEU 24 HD12 LEU 24 1.543 12.254 2.631 239 HD13 LEU 24 HD13 LEU 24 2.430 13.482 1.728 240 HD21 LEU 24 HD21 LEU 24 1.198 14.427 5.394 241 HD22 LEU 24 HD22 LEU 24 2.741 14.638 4.594 242 HD23 LEU 24 HD23 LEU 24 2.041 13.040 4.722 243 HA PRO 25 HA PRO 25 2.419 20.713 3.551 244 HB2 PRO 25 HB2 PRO 25 5.080 20.518 4.241 245 HB3 PRO 25 HB3 PRO 25 3.778 20.451 5.420 246 HG2 PRO 25 HG2 PRO 25 5.193 18.118 4.116 247 HG3 PRO 25 HG3 PRO 25 4.972 18.375 5.847 248 HD2 PRO 25 HD2 PRO 25 3.284 16.783 4.462 249 HD3 PRO 25 HD3 PRO 25 2.611 17.871 5.682 250 H GLU 26 HN GLU 26 3.349 21.890 1.902 251 HA GLU 26 HA GLU 26 3.551 20.812 -0.614 252 HB2 GLU 26 HB2 GLU 26 2.953 23.087 -0.143 253 HB3 GLU 26 HB3 GLU 26 4.495 23.449 0.546 254 HG2 GLU 26 HG2 GLU 26 4.588 22.552 -2.336 255 HG3 GLU 26 HG3 GLU 26 3.687 24.005 -2.046 256 H GLU 27 HN GLU 27 6.238 21.236 1.661 257 HA GLU 27 HA GLU 27 8.439 20.685 0.032 258 HB2 GLU 27 HB2 GLU 27 8.633 21.450 2.321 259 HB3 GLU 27 HB3 GLU 27 7.810 20.049 2.946 260 HG2 GLU 27 HG2 GLU 27 9.774 18.600 2.154 261 HG3 GLU 27 HG3 GLU 27 10.582 20.060 1.631 262 H LEU 28 HN LEU 28 6.401 18.318 1.860 263 HA LEU 28 HA LEU 28 7.757 16.020 0.871 264 HB2 LEU 28 HB2 LEU 28 5.083 16.380 2.278 265 HB3 LEU 28 HB3 LEU 28 5.702 14.815 1.840 266 HG LEU 28 HG LEU 28 7.104 16.764 3.699 267 HD11 LEU 28 HD11 LEU 28 4.935 15.017 4.248 268 HD12 LEU 28 HD12 LEU 28 5.936 15.874 5.407 269 HD13 LEU 28 HD13 LEU 28 6.327 14.226 4.941 270 HD21 LEU 28 HD21 LEU 28 8.979 15.628 3.103 271 HD22 LEU 28 HD22 LEU 28 8.094 14.277 2.396 272 HD23 LEU 28 HD23 LEU 28 8.375 14.342 4.126 273 H ILE 29 HN ILE 29 5.026 17.868 -0.467 274 HA ILE 29 HA ILE 29 4.387 15.821 -2.425 275 HB ILE 29 HB ILE 29 3.613 18.761 -2.245 276 HG12 ILE 29 HG12 ILE 29 1.275 17.398 -2.344 277 HG13 ILE 29 HG13 ILE 29 2.278 16.102 -1.791 278 HG21 ILE 29 HG21 ILE 29 2.102 18.399 -4.211 279 HG22 ILE 29 HG22 ILE 29 3.766 18.272 -4.703 280 HG23 ILE 29 HG23 ILE 29 2.816 16.810 -4.453 281 HD11 ILE 29 HD11 ILE 29 2.231 18.771 -0.322 282 HD12 ILE 29 HD12 ILE 29 0.997 17.548 -0.057 283 HD13 ILE 29 HD13 ILE 29 2.676 17.173 0.304 284 H GLN 30 HN GLN 30 6.308 18.917 -2.567 285 HA GLN 30 HA GLN 30 6.986 18.502 -5.291 286 HB2 GLN 30 HB2 GLN 30 8.191 20.333 -3.166 287 HB3 GLN 30 HB3 GLN 30 8.691 20.356 -4.831 288 HG2 GLN 30 HG2 GLN 30 5.950 21.112 -3.747 289 HG3 GLN 30 HG3 GLN 30 7.106 22.154 -4.519 290 HE21 GLN 30 HE21 GLN 30 4.240 20.535 -4.981 291 HE22 GLN 30 HE22 GLN 30 4.257 20.314 -6.707 292 H LYS 31 HN LYS 31 8.772 17.520 -2.349 293 HA LYS 31 HA LYS 31 10.987 16.481 -3.945 294 HB2 LYS 31 HB2 LYS 31 11.977 15.889 -1.921 295 HB3 LYS 31 HB3 LYS 31 11.159 17.373 -1.589 296 HG2 LYS 31 HG2 LYS 31 10.508 16.228 0.289 297 HG3 LYS 31 HG3 LYS 31 9.206 15.745 -0.742 298 HD2 LYS 31 HD2 LYS 31 9.735 13.566 -0.605 299 HD3 LYS 31 HD3 LYS 31 11.364 13.829 -1.139 300 HE2 LYS 31 HE2 LYS 31 10.386 14.091 1.751 301 HE3 LYS 31 HE3 LYS 31 11.305 12.755 1.092 302 HZ1 LYS 31 HZ1 LYS 31 12.235 15.529 1.274 303 HZ2 LYS 31 HZ2 LYS 31 13.102 14.276 0.649 304 HZ3 LYS 31 HZ3 LYS 31 12.698 14.286 2.249 305 H GLY 32 HN GLY 32 7.814 15.301 -2.960 306 HA2 GLY 32 HA2 GLY 32 8.446 12.465 -3.171 307 HA3 GLY 32 HA1 GLY 32 6.879 13.216 -2.968 308 H LYS 33 HN LYS 33 7.050 15.005 -5.344 309 HA LYS 33 HA LYS 33 6.508 13.085 -7.477 310 HB2 LYS 33 HB2 LYS 33 5.736 14.994 -8.766 311 HB3 LYS 33 HB3 LYS 33 4.931 14.833 -7.250 312 HG2 LYS 33 HG2 LYS 33 5.382 16.930 -6.692 313 HG3 LYS 33 HG3 LYS 33 7.093 16.651 -6.761 314 HD2 LYS 33 HD2 LYS 33 5.407 17.350 -9.203 315 HD3 LYS 33 HD3 LYS 33 6.145 18.549 -8.182 316 HE2 LYS 33 HE2 LYS 33 8.416 17.522 -8.687 317 HE3 LYS 33 HE3 LYS 33 7.635 16.419 -9.809 318 HZ1 LYS 33 HZ1 LYS 33 8.501 18.337 -10.900 319 HZ2 LYS 33 HZ2 LYS 33 7.594 19.347 -9.964 320 HZ3 LYS 33 HZ3 LYS 33 6.855 18.326 -11.029 321 H ASP 34 HN ASP 34 9.161 15.236 -6.568 322 HA ASP 34 HA ASP 34 10.399 15.053 -9.203 323 HB2 ASP 34 HB2 ASP 34 10.448 17.110 -7.697 324 HB3 ASP 34 HB3 ASP 34 11.599 16.260 -6.675 325 H ILE 35 HN ILE 35 11.374 14.066 -5.834 326 HA ILE 35 HA ILE 35 13.409 12.238 -6.892 327 HB ILE 35 HB ILE 35 12.524 12.602 -3.991 328 HG12 ILE 35 HG12 ILE 35 13.161 14.804 -4.680 329 HG13 ILE 35 HG13 ILE 35 14.393 14.153 -3.658 330 HG21 ILE 35 HG21 ILE 35 15.077 11.416 -5.116 331 HG22 ILE 35 HG22 ILE 35 14.780 11.769 -3.417 332 HG23 ILE 35 HG23 ILE 35 13.809 10.571 -4.238 333 HD11 ILE 35 HD11 ILE 35 15.557 15.255 -5.445 334 HD12 ILE 35 HD12 ILE 35 15.689 13.556 -5.871 335 HD13 ILE 35 HD13 ILE 35 14.507 14.582 -6.681 336 H LYS 36 HN LYS 36 13.100 10.111 -7.219 337 HA LYS 36 HA LYS 36 10.543 8.836 -6.613 338 HB2 LYS 36 HB2 LYS 36 13.017 8.095 -8.224 339 HB3 LYS 36 HB3 LYS 36 11.918 6.859 -7.719 340 HG2 LYS 36 HG2 LYS 36 11.203 7.421 -9.875 341 HG3 LYS 36 HG3 LYS 36 9.994 8.031 -8.785 342 HD2 LYS 36 HD2 LYS 36 11.048 10.349 -8.994 343 HD3 LYS 36 HD3 LYS 36 12.140 9.701 -10.183 344 HE2 LYS 36 HE2 LYS 36 9.080 9.796 -10.401 345 HE3 LYS 36 HE3 LYS 36 10.198 10.880 -11.201 346 HZ1 LYS 36 HZ1 LYS 36 10.002 7.987 -11.665 347 HZ2 LYS 36 HZ2 LYS 36 11.092 8.994 -12.386 348 HZ3 LYS 36 HZ3 LYS 36 9.478 9.181 -12.664 349 H GLY 37 HN GLY 37 10.162 7.287 -5.143 350 HA2 GLY 37 HA2 GLY 37 12.029 6.901 -2.900 351 HA3 GLY 37 HA1 GLY 37 10.354 6.395 -3.028 352 H VAL 38 HN VAL 38 11.486 4.472 -2.010 353 HA VAL 38 HA VAL 38 11.955 2.386 -4.052 354 HB VAL 38 HB VAL 38 13.628 2.740 -1.502 355 HG11 VAL 38 HG11 VAL 38 13.342 0.322 -1.969 356 HG12 VAL 38 HG12 VAL 38 13.917 0.582 -3.619 357 HG13 VAL 38 HG13 VAL 38 14.986 0.837 -2.254 358 HG21 VAL 38 HG21 VAL 38 14.514 3.103 -4.387 359 HG22 VAL 38 HG22 VAL 38 14.467 4.341 -3.134 360 HG23 VAL 38 HG23 VAL 38 15.603 3.018 -3.005 361 H SER 39 HN SER 39 11.207 0.273 -3.259 362 HA SER 39 HA SER 39 9.818 0.215 -0.657 363 HB2 SER 39 HB2 SER 39 8.438 -0.032 -3.391 364 HB3 SER 39 HB3 SER 39 7.795 -0.844 -1.979 365 HG SER 39 HG SER 39 7.559 1.075 -0.930 366 H GLU 40 HN GLU 40 9.547 -1.884 0.166 367 HA GLU 40 HA GLU 40 10.514 -4.125 -1.528 368 HB2 GLU 40 HB2 GLU 40 12.315 -3.302 0.160 369 HB3 GLU 40 HB3 GLU 40 11.229 -3.826 1.416 370 HG2 GLU 40 HG2 GLU 40 11.294 -6.157 0.677 371 HG3 GLU 40 HG3 GLU 40 12.270 -5.718 -0.702 372 H ILE 41 HN ILE 41 9.459 -6.035 -1.211 373 HA ILE 41 HA ILE 41 7.260 -6.086 0.799 374 HB ILE 41 HB ILE 41 7.124 -7.563 -1.865 375 HG12 ILE 41 HG12 ILE 41 5.715 -4.911 -1.314 376 HG13 ILE 41 HG13 ILE 41 7.092 -5.050 -2.359 377 HG21 ILE 41 HG21 ILE 41 4.990 -6.780 0.170 378 HG22 ILE 41 HG22 ILE 41 4.723 -7.781 -1.253 379 HG23 ILE 41 HG23 ILE 41 5.700 -8.371 0.079 380 HD11 ILE 41 HD11 ILE 41 5.439 -5.203 -3.956 381 HD12 ILE 41 HD12 ILE 41 5.592 -6.919 -3.603 382 HD13 ILE 41 HD13 ILE 41 4.287 -5.978 -2.878 383 H VAL 42 HN VAL 42 7.307 -7.962 2.009 384 HA VAL 42 HA VAL 42 9.240 -10.120 1.281 385 HB VAL 42 HB VAL 42 8.913 -8.712 3.953 386 HG11 VAL 42 HG11 VAL 42 10.457 -11.286 3.433 387 HG12 VAL 42 HG12 VAL 42 10.610 -10.307 4.887 388 HG13 VAL 42 HG13 VAL 42 9.088 -11.088 4.530 389 HG21 VAL 42 HG21 VAL 42 11.354 -8.291 3.808 390 HG22 VAL 42 HG22 VAL 42 11.354 -8.959 2.179 391 HG23 VAL 42 HG23 VAL 42 10.448 -7.494 2.542 392 H GLN 43 HN GLN 43 8.477 -12.146 1.636 393 HA GLN 43 HA GLN 43 5.784 -12.500 2.873 394 HB2 GLN 43 HB2 GLN 43 5.583 -12.433 0.435 395 HB3 GLN 43 HB3 GLN 43 6.877 -13.580 0.243 396 HG2 GLN 43 HG2 GLN 43 5.341 -15.279 1.541 397 HG3 GLN 43 HG3 GLN 43 4.071 -14.101 1.343 398 HE21 GLN 43 HE21 GLN 43 6.171 -16.459 -0.242 399 HE22 GLN 43 HE22 GLN 43 5.349 -16.464 -1.780 400 H ASN 44 HN ASN 44 5.756 -14.019 4.379 401 HA ASN 44 HA ASN 44 7.597 -16.301 4.263 402 HB2 ASN 44 HB2 ASN 44 8.185 -16.127 6.651 403 HB3 ASN 44 HB3 ASN 44 8.863 -14.857 5.681 404 HD21 ASN 44 HD21 ASN 44 7.813 -12.642 5.781 405 HD22 ASN 44 HD22 ASN 44 7.120 -12.176 7.313 406 H GLY 45 HN GLY 45 5.741 -17.220 3.375 407 HA2 GLY 45 HA2 GLY 45 3.946 -18.630 3.476 408 HA3 GLY 45 HA1 GLY 45 3.990 -18.568 5.233 409 H LYS 46 HN LYS 46 2.081 -17.826 5.990 410 HA LYS 46 HA LYS 46 0.240 -16.206 4.550 411 HB2 LYS 46 HB2 LYS 46 0.371 -17.732 7.070 412 HB3 LYS 46 HB3 LYS 46 -0.396 -16.227 7.362 413 HG2 LYS 46 HG2 LYS 46 -1.297 -18.228 5.270 414 HG3 LYS 46 HG3 LYS 46 -2.013 -17.963 6.836 415 HD2 LYS 46 HD2 LYS 46 -2.396 -15.484 6.048 416 HD3 LYS 46 HD3 LYS 46 -1.996 -16.057 4.455 417 HE2 LYS 46 HE2 LYS 46 -4.369 -16.140 4.546 418 HE3 LYS 46 HE3 LYS 46 -3.854 -17.810 4.671 419 HZ1 LYS 46 HZ1 LYS 46 -4.119 -17.596 7.078 420 HZ2 LYS 46 HZ2 LYS 46 -5.526 -17.277 6.275 421 HZ3 LYS 46 HZ3 LYS 46 -4.627 -16.039 6.886 422 H HIS 47 HN HIS 47 2.932 -15.341 6.628 423 HA HIS 47 HA HIS 47 1.951 -12.691 7.268 424 HB2 HIS 47 HB2 HIS 47 4.190 -14.410 8.061 425 HB3 HIS 47 HB3 HIS 47 4.796 -12.844 7.629 426 HD1 HIS 47 HD1 HIS 47 2.753 -10.885 8.771 427 HD2 HIS 47 HD2 HIS 47 4.047 -14.329 10.841 428 HE1 HIS 47 HE1 HIS 47 2.391 -10.514 11.240 429 H PHE 48 HN PHE 48 2.627 -10.759 6.502 430 HA PHE 48 HA PHE 48 4.182 -10.572 3.986 431 HB2 PHE 48 HB2 PHE 48 1.690 -10.720 3.579 432 HB3 PHE 48 HB3 PHE 48 1.443 -9.371 4.637 433 HD1 PHE 48 HD1 PHE 48 2.278 -10.414 1.258 434 HD2 PHE 48 HD2 PHE 48 2.364 -7.044 3.957 435 HE1 PHE 48 HE1 PHE 48 2.326 -8.856 -0.642 436 HE2 PHE 48 HE2 PHE 48 2.372 -5.526 2.012 437 HZ PHE 48 HZ PHE 48 2.361 -6.425 -0.268 438 H LYS 49 HN LYS 49 5.527 -8.828 4.001 439 HA LYS 49 HA LYS 49 5.304 -6.709 6.076 440 HB2 LYS 49 HB2 LYS 49 7.442 -8.650 5.498 441 HB3 LYS 49 HB3 LYS 49 8.056 -7.042 5.315 442 HG2 LYS 49 HG2 LYS 49 6.523 -7.761 7.818 443 HG3 LYS 49 HG3 LYS 49 8.128 -8.383 7.606 444 HD2 LYS 49 HD2 LYS 49 8.940 -5.977 7.223 445 HD3 LYS 49 HD3 LYS 49 7.361 -5.435 7.710 446 HE2 LYS 49 HE2 LYS 49 7.668 -6.587 9.947 447 HE3 LYS 49 HE3 LYS 49 9.257 -7.108 9.437 448 HZ1 LYS 49 HZ1 LYS 49 9.342 -5.148 10.752 449 HZ2 LYS 49 HZ2 LYS 49 8.372 -4.326 9.702 450 HZ3 LYS 49 HZ3 LYS 49 9.878 -4.809 9.227 451 H PHE 50 HN PHE 50 5.915 -4.599 5.336 452 HA PHE 50 HA PHE 50 6.387 -4.251 2.438 453 HB2 PHE 50 HB2 PHE 50 3.893 -4.443 3.004 454 HB3 PHE 50 HB3 PHE 50 4.017 -2.971 3.887 455 HD1 PHE 50 HD1 PHE 50 1.983 -2.915 2.099 456 HD2 PHE 50 HD2 PHE 50 6.155 -2.368 1.093 457 HE1 PHE 50 HE1 PHE 50 1.365 -1.707 0.048 458 HE2 PHE 50 HE2 PHE 50 5.493 -1.171 -0.922 459 HZ PHE 50 HZ PHE 50 3.109 -0.835 -1.458 460 H THR 51 HN THR 51 8.301 -3.248 2.659 461 HA THR 51 HA THR 51 8.732 -0.942 4.417 462 HB THR 51 HB THR 51 10.445 -2.058 2.169 463 HG1 THR 51 HG1 THR 51 11.608 -3.038 3.879 464 HG21 THR 51 HG21 THR 51 12.357 -0.944 3.275 465 HG22 THR 51 HG22 THR 51 11.268 -0.234 4.458 466 HG23 THR 51 HG23 THR 51 11.175 0.244 2.762 467 H ILE 52 HN ILE 52 8.499 1.186 3.710 468 HA ILE 52 HA ILE 52 8.381 1.800 0.807 469 HB ILE 52 HB ILE 52 6.396 2.866 2.867 470 HG12 ILE 52 HG12 ILE 52 5.859 1.088 0.458 471 HG13 ILE 52 HG13 ILE 52 5.836 0.546 2.113 472 HG21 ILE 52 HG21 ILE 52 7.002 4.639 1.205 473 HG22 ILE 52 HG22 ILE 52 6.644 3.529 -0.113 474 HG23 ILE 52 HG23 ILE 52 5.365 4.103 0.950 475 HD11 ILE 52 HD11 ILE 52 3.581 0.884 1.819 476 HD12 ILE 52 HD12 ILE 52 4.005 2.476 2.435 477 HD13 ILE 52 HD13 ILE 52 3.793 2.226 0.701 478 H THR 53 HN THR 53 10.301 2.722 0.715 479 HA THR 53 HA THR 53 11.308 4.628 2.718 480 HB THR 53 HB THR 53 12.489 3.368 0.200 481 HG1 THR 53 HG1 THR 53 13.751 2.242 1.793 482 HG21 THR 53 HG21 THR 53 13.803 5.359 0.504 483 HG22 THR 53 HG22 THR 53 14.747 4.036 1.139 484 HG23 THR 53 HG23 THR 53 13.912 5.121 2.247 485 H ALA 54 HN ALA 54 11.531 6.795 2.316 486 HA ALA 54 HA ALA 54 10.829 7.907 -0.373 487 HB1 ALA 54 HB1 ALA 54 9.952 9.860 0.797 488 HB2 ALA 54 HB2 ALA 54 9.189 8.440 1.490 489 HB3 ALA 54 HB3 ALA 54 10.497 9.241 2.355 490 H GLY 55 HN GLY 55 11.866 10.546 0.739 491 HA2 GLY 55 HA2 GLY 55 14.492 10.444 -0.358 492 HA3 GLY 55 HA1 GLY 55 13.785 11.772 0.541 493 H SER 56 HN SER 56 13.300 10.208 3.022 494 HA SER 56 HA SER 56 15.933 9.239 3.917 495 HB2 SER 56 HB2 SER 56 14.484 11.647 5.143 496 HB3 SER 56 HB3 SER 56 15.563 10.643 6.088 497 HG SER 56 HG SER 56 17.234 11.107 4.683 498 H LYS 57 HN LYS 57 12.667 10.097 5.168 499 HA LYS 57 HA LYS 57 12.552 8.078 7.074 500 HB2 LYS 57 HB2 LYS 57 10.143 8.665 7.205 501 HB3 LYS 57 HB3 LYS 57 11.195 10.033 7.310 502 HG2 LYS 57 HG2 LYS 57 10.558 10.926 5.268 503 HG3 LYS 57 HG3 LYS 57 10.157 9.408 4.546 504 HD2 LYS 57 HD2 LYS 57 8.491 10.676 6.762 505 HD3 LYS 57 HD3 LYS 57 8.207 10.994 5.079 506 HE2 LYS 57 HE2 LYS 57 8.023 8.220 6.396 507 HE3 LYS 57 HE3 LYS 57 6.668 9.241 5.969 508 HZ1 LYS 57 HZ1 LYS 57 7.069 7.593 4.328 509 HZ2 LYS 57 HZ2 LYS 57 8.606 8.130 4.075 510 HZ3 LYS 57 HZ3 LYS 57 7.321 9.089 3.681 511 H VAL 58 HN VAL 58 11.502 6.143 7.308 512 HA VAL 58 HA VAL 58 10.525 4.737 4.875 513 HB VAL 58 HB VAL 58 12.254 3.470 7.059 514 HG11 VAL 58 HG11 VAL 58 10.851 1.837 5.828 515 HG12 VAL 58 HG12 VAL 58 11.439 2.454 4.297 516 HG13 VAL 58 HG13 VAL 58 12.533 1.628 5.401 517 HG21 VAL 58 HG21 VAL 58 13.772 5.029 5.953 518 HG22 VAL 58 HG22 VAL 58 14.141 3.408 5.408 519 HG23 VAL 58 HG23 VAL 58 13.233 4.495 4.365 520 H ILE 59 HN ILE 59 8.840 3.316 5.242 521 HA ILE 59 HA ILE 59 7.642 3.144 7.992 522 HB ILE 59 HB ILE 59 6.246 3.121 5.274 523 HG12 ILE 59 HG12 ILE 59 5.809 5.414 7.174 524 HG13 ILE 59 HG13 ILE 59 7.208 5.470 6.157 525 HG21 ILE 59 HG21 ILE 59 4.970 1.840 6.964 526 HG22 ILE 59 HG22 ILE 59 5.005 3.215 8.058 527 HG23 ILE 59 HG23 ILE 59 4.120 3.311 6.544 528 HD11 ILE 59 HD11 ILE 59 4.336 5.332 5.192 529 HD12 ILE 59 HD12 ILE 59 5.545 6.590 4.926 530 HD13 ILE 59 HD13 ILE 59 5.706 5.043 4.121 531 H GLN 60 HN GLN 60 7.476 1.001 8.673 532 HA GLN 60 HA GLN 60 7.632 -1.191 6.641 533 HB2 GLN 60 HB2 GLN 60 9.202 -0.911 9.224 534 HB3 GLN 60 HB3 GLN 60 9.029 -2.405 8.365 535 HG2 GLN 60 HG2 GLN 60 10.637 -1.921 6.869 536 HG3 GLN 60 HG3 GLN 60 9.906 -0.413 6.426 537 HE21 GLN 60 HE21 GLN 60 10.117 1.339 8.414 538 HE22 GLN 60 HE22 GLN 60 11.770 1.521 8.938 539 H ASN 61 HN ASN 61 5.460 -1.544 6.653 540 HA ASN 61 HA ASN 61 4.022 -2.141 9.124 541 HB2 ASN 61 HB2 ASN 61 3.297 -2.164 6.131 542 HB3 ASN 61 HB3 ASN 61 2.178 -2.693 7.362 543 HD21 ASN 61 HD21 ASN 61 3.154 0.021 5.639 544 HD22 ASN 61 HD22 ASN 61 2.392 1.223 6.647 545 H GLU 62 HN GLU 62 2.989 -4.194 9.512 546 HA GLU 62 HA GLU 62 3.671 -6.456 7.823 547 HB2 GLU 62 HB2 GLU 62 5.521 -6.410 9.417 548 HB3 GLU 62 HB3 GLU 62 4.434 -6.365 10.770 549 HG2 GLU 62 HG2 GLU 62 3.679 -8.645 10.389 550 HG3 GLU 62 HG3 GLU 62 4.403 -8.702 8.801 551 H PHE 63 HN PHE 63 2.116 -7.967 7.723 552 HA PHE 63 HA PHE 63 0.038 -8.163 9.704 553 HB2 PHE 63 HB2 PHE 63 -1.846 -7.703 8.176 554 HB3 PHE 63 HB3 PHE 63 -0.893 -6.280 8.433 555 HD1 PHE 63 HD1 PHE 63 -1.758 -8.970 5.973 556 HD2 PHE 63 HD2 PHE 63 0.274 -5.208 6.567 557 HE1 PHE 63 HE1 PHE 63 -1.576 -8.659 3.539 558 HE2 PHE 63 HE2 PHE 63 0.372 -4.899 4.126 559 HZ PHE 63 HZ PHE 63 -0.561 -6.607 2.624 560 H THR 64 HN THR 64 -1.600 -9.835 9.081 561 HA THR 64 HA THR 64 -0.372 -12.051 7.496 562 HB THR 64 HB THR 64 -2.191 -12.244 9.961 563 HG1 THR 64 HG1 THR 64 -0.268 -13.089 10.906 564 HG21 THR 64 HG21 THR 64 -2.398 -14.254 8.459 565 HG22 THR 64 HG22 THR 64 -1.520 -14.664 9.926 566 HG23 THR 64 HG23 THR 64 -0.637 -14.380 8.433 567 H VAL 65 HN VAL 65 -1.623 -12.724 5.816 568 HA VAL 65 HA VAL 65 -3.772 -11.136 4.979 569 HB VAL 65 HB VAL 65 -2.898 -13.883 3.985 570 HG11 VAL 65 HG11 VAL 65 -4.638 -11.842 2.532 571 HG12 VAL 65 HG12 VAL 65 -3.946 -13.278 1.799 572 HG13 VAL 65 HG13 VAL 65 -5.155 -13.447 3.050 573 HG21 VAL 65 HG21 VAL 65 -1.647 -12.619 2.242 574 HG22 VAL 65 HG22 VAL 65 -2.111 -11.102 3.005 575 HG23 VAL 65 HG23 VAL 65 -1.059 -12.234 3.847 576 H GLY 66 HN GLY 66 -5.923 -11.217 5.197 577 HA2 GLY 66 HA2 GLY 66 -8.046 -12.028 5.570 578 HA3 GLY 66 HA1 GLY 66 -7.430 -13.623 5.929 579 H GLU 67 HN GLU 67 -5.575 -11.561 7.886 580 HA GLU 67 HA GLU 67 -7.471 -11.768 10.188 581 HB2 GLU 67 HB2 GLU 67 -4.439 -12.039 10.156 582 HB3 GLU 67 HB3 GLU 67 -5.447 -12.069 11.574 583 HG2 GLU 67 HG2 GLU 67 -6.641 -14.120 10.622 584 HG3 GLU 67 HG3 GLU 67 -5.510 -14.117 9.287 585 H GLU 68 HN GLU 68 -7.524 -10.160 11.669 586 HA GLU 68 HA GLU 68 -7.324 -7.510 10.670 587 HB2 GLU 68 HB2 GLU 68 -8.054 -8.732 13.366 588 HB3 GLU 68 HB3 GLU 68 -8.145 -7.017 13.067 589 HG2 GLU 68 HG2 GLU 68 -9.842 -7.267 11.377 590 HG3 GLU 68 HG3 GLU 68 -9.603 -8.999 11.243 591 H CYS 69 HN CYS 69 -5.674 -6.170 10.664 592 HA CYS 69 HA CYS 69 -3.584 -6.175 12.763 593 HB2 CYS 69 HB2 CYS 69 -3.105 -6.427 9.743 594 HB3 CYS 69 HB3 CYS 69 -1.850 -5.963 10.877 595 HG CYS 69 HG CYS 69 -1.899 -8.055 12.353 596 H GLU 70 HN GLU 70 -2.119 -4.183 12.398 597 HA GLU 70 HA GLU 70 -3.859 -1.851 11.738 598 HB2 GLU 70 HB2 GLU 70 -3.307 -2.303 14.142 599 HB3 GLU 70 HB3 GLU 70 -1.622 -2.081 13.774 600 HG2 GLU 70 HG2 GLU 70 -1.986 0.280 13.166 601 HG3 GLU 70 HG3 GLU 70 -3.723 0.082 13.239 602 H LEU 71 HN LEU 71 -3.264 -0.501 10.217 603 HA LEU 71 HA LEU 71 -0.650 -0.890 8.834 604 HB2 LEU 71 HB2 LEU 71 -3.473 -0.182 7.883 605 HB3 LEU 71 HB3 LEU 71 -2.078 0.012 6.871 606 HG LEU 71 HG LEU 71 -3.154 -1.962 6.252 607 HD11 LEU 71 HD11 LEU 71 -0.876 -3.359 7.558 608 HD12 LEU 71 HD12 LEU 71 -0.455 -1.885 6.704 609 HD13 LEU 71 HD13 LEU 71 -1.288 -3.173 5.856 610 HD21 LEU 71 HD21 LEU 71 -4.101 -3.589 7.493 611 HD22 LEU 71 HD22 LEU 71 -4.060 -2.407 8.783 612 HD23 LEU 71 HD23 LEU 71 -2.814 -3.641 8.683 613 H GLU 72 HN GLU 72 0.529 0.846 8.242 614 HA GLU 72 HA GLU 72 -0.203 3.532 9.294 615 HB2 GLU 72 HB2 GLU 72 1.492 2.167 10.550 616 HB3 GLU 72 HB3 GLU 72 2.490 2.111 9.127 617 HG2 GLU 72 HG2 GLU 72 2.719 4.620 9.179 618 HG3 GLU 72 HG3 GLU 72 1.762 4.659 10.643 619 H THR 73 HN THR 73 0.237 5.312 8.024 620 HA THR 73 HA THR 73 0.986 4.872 5.160 621 HB THR 73 HB THR 73 -0.528 6.822 4.769 622 HG1 THR 73 HG1 THR 73 -1.814 7.506 6.563 623 HG21 THR 73 HG21 THR 73 -2.704 5.810 5.220 624 HG22 THR 73 HG22 THR 73 -2.011 4.710 6.404 625 HG23 THR 73 HG23 THR 73 -1.587 4.554 4.702 626 H MET 74 HN MET 74 1.487 7.243 4.196 627 HA MET 74 HA MET 74 3.998 8.089 5.265 628 HB2 MET 74 HB2 MET 74 2.228 9.289 3.090 629 HB3 MET 74 HB3 MET 74 3.843 9.829 3.435 630 HG2 MET 74 HG2 MET 74 4.699 7.499 2.924 631 HG3 MET 74 HG3 MET 74 3.082 7.051 2.427 632 HE1 MET 74 HE1 MET 74 4.144 6.226 0.133 633 HE2 MET 74 HE2 MET 74 5.116 7.254 -0.931 634 HE3 MET 74 HE3 MET 74 5.753 6.764 0.645 635 H THR 75 HN THR 75 0.757 9.252 5.888 636 HA THR 75 HA THR 75 1.605 11.759 7.150 637 HB THR 75 HB THR 75 -0.827 11.792 7.858 638 HG1 THR 75 HG1 THR 75 -2.168 10.158 7.013 639 HG21 THR 75 HG21 THR 75 -0.448 11.281 4.864 640 HG22 THR 75 HG22 THR 75 -0.384 12.836 5.689 641 HG23 THR 75 HG23 THR 75 -1.894 11.958 5.607 642 H GLY 76 HN GLY 76 1.597 8.406 8.003 643 HA2 GLY 76 HA2 GLY 76 2.305 7.418 9.945 644 HA3 GLY 76 HA1 GLY 76 2.221 8.937 10.813 645 H GLU 77 HN GLU 77 -0.744 8.447 9.123 646 HA GLU 77 HA GLU 77 -2.349 8.029 11.426 647 HB2 GLU 77 HB2 GLU 77 -2.874 7.698 8.439 648 HB3 GLU 77 HB3 GLU 77 -4.117 7.474 9.627 649 HG2 GLU 77 HG2 GLU 77 -3.933 9.807 10.382 650 HG3 GLU 77 HG3 GLU 77 -2.584 10.104 9.321 651 H LYS 78 HN LYS 78 -2.643 6.224 12.591 652 HA LYS 78 HA LYS 78 -2.276 3.582 11.317 653 HB2 LYS 78 HB2 LYS 78 -2.238 4.424 14.231 654 HB3 LYS 78 HB3 LYS 78 -2.419 2.772 13.705 655 HG2 LYS 78 HG2 LYS 78 -0.318 3.097 12.236 656 HG3 LYS 78 HG3 LYS 78 -0.035 4.566 13.129 657 HD2 LYS 78 HD2 LYS 78 0.147 3.301 15.235 658 HD3 LYS 78 HD3 LYS 78 -0.385 1.836 14.447 659 HE2 LYS 78 HE2 LYS 78 1.653 1.905 12.962 660 HE3 LYS 78 HE3 LYS 78 2.226 3.311 13.849 661 HZ1 LYS 78 HZ1 LYS 78 1.674 0.655 14.979 662 HZ2 LYS 78 HZ2 LYS 78 2.237 1.954 15.825 663 HZ3 LYS 78 HZ3 LYS 78 3.164 1.278 14.638 664 H VAL 79 HN VAL 79 -3.867 2.382 10.781 665 HA VAL 79 HA VAL 79 -6.568 2.682 11.920 666 HB VAL 79 HB VAL 79 -7.382 2.409 9.454 667 HG11 VAL 79 HG11 VAL 79 -7.899 4.391 10.824 668 HG12 VAL 79 HG12 VAL 79 -6.376 5.139 10.347 669 HG13 VAL 79 HG13 VAL 79 -7.622 4.827 9.143 670 HG21 VAL 79 HG21 VAL 79 -4.719 3.758 8.790 671 HG22 VAL 79 HG22 VAL 79 -5.165 2.125 8.319 672 HG23 VAL 79 HG23 VAL 79 -6.061 3.499 7.693 673 H LYS 80 HN LYS 80 -7.308 0.756 12.462 674 HA LYS 80 HA LYS 80 -6.016 -1.687 11.606 675 HB2 LYS 80 HB2 LYS 80 -8.314 -1.044 13.482 676 HB3 LYS 80 HB3 LYS 80 -7.983 -2.680 12.977 677 HG2 LYS 80 HG2 LYS 80 -5.692 -2.605 13.835 678 HG3 LYS 80 HG3 LYS 80 -5.876 -0.934 14.291 679 HD2 LYS 80 HD2 LYS 80 -6.093 -2.345 16.258 680 HD3 LYS 80 HD3 LYS 80 -7.600 -1.527 15.957 681 HE2 LYS 80 HE2 LYS 80 -8.574 -3.613 14.963 682 HE3 LYS 80 HE3 LYS 80 -7.034 -4.435 15.157 683 HZ1 LYS 80 HZ1 LYS 80 -7.245 -4.131 17.517 684 HZ2 LYS 80 HZ2 LYS 80 -8.549 -4.933 16.906 685 HZ3 LYS 80 HZ3 LYS 80 -8.682 -3.345 17.326 686 H THR 81 HN THR 81 -6.680 -3.191 10.209 687 HA THR 81 HA THR 81 -9.303 -3.405 9.146 688 HB THR 81 HB THR 81 -8.535 -1.384 7.812 689 HG1 THR 81 HG1 THR 81 -9.069 -2.268 5.816 690 HG21 THR 81 HG21 THR 81 -6.105 -1.838 7.563 691 HG22 THR 81 HG22 THR 81 -6.874 -1.680 5.991 692 HG23 THR 81 HG23 THR 81 -6.441 -3.266 6.582 693 H VAL 82 HN VAL 82 -8.933 -4.854 6.925 694 HA VAL 82 HA VAL 82 -7.057 -7.083 7.600 695 HB VAL 82 HB VAL 82 -9.738 -7.560 6.230 696 HG11 VAL 82 HG11 VAL 82 -8.177 -9.328 8.142 697 HG12 VAL 82 HG12 VAL 82 -9.471 -9.816 7.068 698 HG13 VAL 82 HG13 VAL 82 -7.898 -9.357 6.415 699 HG21 VAL 82 HG21 VAL 82 -10.550 -6.457 8.254 700 HG22 VAL 82 HG22 VAL 82 -10.777 -8.187 8.442 701 HG23 VAL 82 HG23 VAL 82 -9.426 -7.388 9.242 702 H VAL 83 HN VAL 83 -6.070 -8.009 5.770 703 HA VAL 83 HA VAL 83 -6.617 -6.743 3.108 704 HB VAL 83 HB VAL 83 -3.973 -7.837 4.162 705 HG11 VAL 83 HG11 VAL 83 -4.043 -8.041 1.729 706 HG12 VAL 83 HG12 VAL 83 -4.632 -6.391 1.553 707 HG13 VAL 83 HG13 VAL 83 -3.002 -6.693 2.125 708 HG21 VAL 83 HG21 VAL 83 -4.777 -4.907 3.916 709 HG22 VAL 83 HG22 VAL 83 -4.397 -5.772 5.398 710 HG23 VAL 83 HG23 VAL 83 -3.147 -5.482 4.214 711 H GLN 84 HN GLN 84 -7.059 -8.123 1.491 712 HA GLN 84 HA GLN 84 -6.749 -11.070 1.861 713 HB2 GLN 84 HB2 GLN 84 -8.995 -9.383 0.665 714 HB3 GLN 84 HB3 GLN 84 -8.723 -10.976 0.065 715 HG2 GLN 84 HG2 GLN 84 -10.266 -11.497 1.622 716 HG3 GLN 84 HG3 GLN 84 -8.833 -11.807 2.557 717 HE21 GLN 84 HE21 GLN 84 -8.437 -10.456 4.396 718 HE22 GLN 84 HE22 GLN 84 -9.595 -9.272 4.946 719 H LEU 85 HN LEU 85 -6.882 -12.186 -0.323 720 HA LEU 85 HA LEU 85 -5.499 -10.766 -2.529 721 HB2 LEU 85 HB2 LEU 85 -3.961 -12.420 -1.280 722 HB3 LEU 85 HB3 LEU 85 -5.119 -13.663 -1.620 723 HG LEU 85 HG LEU 85 -4.737 -13.003 -4.158 724 HD11 LEU 85 HD11 LEU 85 -1.970 -12.227 -3.306 725 HD12 LEU 85 HD12 LEU 85 -3.220 -10.990 -3.253 726 HD13 LEU 85 HD13 LEU 85 -2.874 -11.828 -4.755 727 HD21 LEU 85 HD21 LEU 85 -2.667 -14.522 -4.203 728 HD22 LEU 85 HD22 LEU 85 -4.136 -15.191 -3.513 729 HD23 LEU 85 HD23 LEU 85 -2.842 -14.630 -2.452 730 H GLU 86 HN GLU 86 -6.662 -11.013 -4.476 731 HA GLU 86 HA GLU 86 -9.146 -12.601 -4.382 732 HB2 GLU 86 HB2 GLU 86 -9.864 -11.413 -6.270 733 HB3 GLU 86 HB3 GLU 86 -9.255 -10.274 -5.116 734 HG2 GLU 86 HG2 GLU 86 -7.184 -9.955 -6.393 735 HG3 GLU 86 HG3 GLU 86 -7.619 -11.196 -7.548 736 H GLY 87 HN GLY 87 -6.164 -13.657 -4.913 737 HA2 GLY 87 HA2 GLY 87 -5.564 -15.729 -5.670 738 HA3 GLY 87 HA1 GLY 87 -7.104 -15.928 -6.470 739 H ASP 88 HN ASP 88 -5.772 -12.952 -7.531 740 HA ASP 88 HA ASP 88 -4.217 -14.183 -9.756 741 HB2 ASP 88 HB2 ASP 88 -6.545 -13.463 -10.522 742 HB3 ASP 88 HB3 ASP 88 -6.150 -11.840 -10.015 743 H ASN 89 HN ASN 89 -2.916 -13.605 -7.546 744 HA ASN 89 HA ASN 89 -1.409 -12.461 -6.536 745 HB2 ASN 89 HB2 ASN 89 0.406 -11.388 -8.310 746 HB3 ASN 89 HB3 ASN 89 0.252 -13.024 -7.821 747 HD21 ASN 89 HD21 ASN 89 -0.516 -10.824 -10.509 748 HD22 ASN 89 HD22 ASN 89 -0.713 -12.093 -11.691 749 H LYS 90 HN LYS 90 -3.777 -10.924 -6.716 750 HA LYS 90 HA LYS 90 -2.818 -8.124 -6.560 751 HB2 LYS 90 HB2 LYS 90 -5.385 -9.391 -7.566 752 HB3 LYS 90 HB3 LYS 90 -5.348 -7.706 -7.123 753 HG2 LYS 90 HG2 LYS 90 -3.962 -7.084 -8.881 754 HG3 LYS 90 HG3 LYS 90 -3.269 -8.665 -9.088 755 HD2 LYS 90 HD2 LYS 90 -5.496 -9.505 -9.944 756 HD3 LYS 90 HD3 LYS 90 -6.139 -7.892 -9.787 757 HE2 LYS 90 HE2 LYS 90 -4.675 -7.010 -11.480 758 HE3 LYS 90 HE3 LYS 90 -3.696 -8.475 -11.522 759 HZ1 LYS 90 HZ1 LYS 90 -6.513 -8.316 -12.308 760 HZ2 LYS 90 HZ2 LYS 90 -5.563 -9.665 -12.368 761 HZ3 LYS 90 HZ3 LYS 90 -5.218 -8.372 -13.332 762 H LEU 91 HN LEU 91 -2.651 -7.545 -4.516 763 HA LEU 91 HA LEU 91 -4.241 -8.633 -2.353 764 HB2 LEU 91 HB2 LEU 91 -1.883 -6.852 -2.692 765 HB3 LEU 91 HB3 LEU 91 -2.967 -6.269 -1.474 766 HG LEU 91 HG LEU 91 -2.892 -8.471 -0.333 767 HD11 LEU 91 HD11 LEU 91 -2.027 -10.310 -1.309 768 HD12 LEU 91 HD12 LEU 91 -0.439 -9.570 -1.354 769 HD13 LEU 91 HD13 LEU 91 -1.522 -9.387 -2.719 770 HD21 LEU 91 HD21 LEU 91 -0.139 -7.232 -0.679 771 HD22 LEU 91 HD22 LEU 91 -0.765 -8.069 0.741 772 HD23 LEU 91 HD23 LEU 91 -1.417 -6.502 0.277 773 H VAL 92 HN VAL 92 -5.909 -7.585 -1.242 774 HA VAL 92 HA VAL 92 -7.052 -5.072 -2.383 775 HB VAL 92 HB VAL 92 -8.553 -7.664 -1.740 776 HG11 VAL 92 HG11 VAL 92 -10.016 -5.793 -1.124 777 HG12 VAL 92 HG12 VAL 92 -9.681 -4.979 -2.653 778 HG13 VAL 92 HG13 VAL 92 -10.591 -6.486 -2.622 779 HG21 VAL 92 HG21 VAL 92 -9.198 -7.686 -4.158 780 HG22 VAL 92 HG22 VAL 92 -8.087 -6.351 -4.449 781 HG23 VAL 92 HG23 VAL 92 -7.482 -7.918 -3.920 782 H THR 93 HN THR 93 -7.724 -3.662 -0.815 783 HA THR 93 HA THR 93 -8.677 -4.572 1.748 784 HB THR 93 HB THR 93 -6.192 -4.609 2.137 785 HG1 THR 93 HG1 THR 93 -7.462 -4.167 3.886 786 HG21 THR 93 HG21 THR 93 -4.852 -2.593 2.258 787 HG22 THR 93 HG22 THR 93 -6.215 -1.569 1.842 788 HG23 THR 93 HG23 THR 93 -5.523 -2.660 0.633 789 H THR 94 HN THR 94 -9.408 -2.750 3.096 790 HA THR 94 HA THR 94 -9.845 -0.170 1.767 791 HB THR 94 HB THR 94 -12.257 -0.198 2.679 792 HG1 THR 94 HG1 THR 94 -11.882 -2.990 2.778 793 HG21 THR 94 HG21 THR 94 -11.732 -2.250 0.483 794 HG22 THR 94 HG22 THR 94 -11.940 -0.516 0.256 795 HG23 THR 94 HG23 THR 94 -13.274 -1.485 0.849 796 H PHE 95 HN PHE 95 -11.071 1.240 3.682 797 HA PHE 95 HA PHE 95 -9.906 0.585 6.330 798 HB2 PHE 95 HB2 PHE 95 -9.395 3.233 4.876 799 HB3 PHE 95 HB3 PHE 95 -9.038 2.910 6.550 800 HD1 PHE 95 HD1 PHE 95 -7.931 2.472 3.089 801 HD2 PHE 95 HD2 PHE 95 -7.263 1.148 7.139 802 HE1 PHE 95 HE1 PHE 95 -5.733 1.594 2.452 803 HE2 PHE 95 HE2 PHE 95 -5.068 0.278 6.461 804 HZ PHE 95 HZ PHE 95 -4.291 0.512 4.136 805 H LYS 96 HN LYS 96 -11.398 3.488 4.896 806 HA LYS 96 HA LYS 96 -13.857 3.134 6.544 807 HB2 LYS 96 HB2 LYS 96 -12.171 5.679 6.250 808 HB3 LYS 96 HB3 LYS 96 -13.753 5.590 6.986 809 HG2 LYS 96 HG2 LYS 96 -12.892 4.155 8.798 810 HG3 LYS 96 HG3 LYS 96 -11.334 4.052 8.036 811 HD2 LYS 96 HD2 LYS 96 -11.104 5.593 9.813 812 HD3 LYS 96 HD3 LYS 96 -10.970 6.496 8.341 813 HE2 LYS 96 HE2 LYS 96 -13.592 6.348 9.928 814 HE3 LYS 96 HE3 LYS 96 -12.352 7.543 10.249 815 HZ1 LYS 96 HZ1 LYS 96 -12.536 8.333 8.026 816 HZ2 LYS 96 HZ2 LYS 96 -13.987 8.411 8.804 817 HZ3 LYS 96 HZ3 LYS 96 -13.714 7.233 7.685 818 H ASN 97 HN ASN 97 -12.221 5.048 3.998 819 HA ASN 97 HA ASN 97 -14.477 4.777 2.129 820 HB2 ASN 97 HB2 ASN 97 -14.688 7.167 1.807 821 HB3 ASN 97 HB3 ASN 97 -14.969 6.825 3.488 822 HD21 ASN 97 HD21 ASN 97 -13.935 9.265 1.854 823 HD22 ASN 97 HD22 ASN 97 -12.552 9.796 2.775 824 H ILE 98 HN ILE 98 -11.298 4.356 2.658 825 HA ILE 98 HA ILE 98 -10.355 5.211 -0.029 826 HB ILE 98 HB ILE 98 -8.885 4.354 2.495 827 HG12 ILE 98 HG12 ILE 98 -8.745 7.083 1.210 828 HG13 ILE 98 HG13 ILE 98 -9.919 6.724 2.438 829 HG21 ILE 98 HG21 ILE 98 -7.665 5.220 -0.175 830 HG22 ILE 98 HG22 ILE 98 -6.760 4.958 1.311 831 HG23 ILE 98 HG23 ILE 98 -7.546 3.612 0.532 832 HD11 ILE 98 HD11 ILE 98 -7.887 5.949 3.919 833 HD12 ILE 98 HD12 ILE 98 -6.913 6.852 2.758 834 HD13 ILE 98 HD13 ILE 98 -8.168 7.668 3.677 835 H LYS 99 HN LYS 99 -10.370 3.583 -1.512 836 HA LYS 99 HA LYS 99 -10.284 0.724 -0.635 837 HB2 LYS 99 HB2 LYS 99 -12.351 1.400 -1.769 838 HB3 LYS 99 HB3 LYS 99 -11.455 2.073 -3.104 839 HG2 LYS 99 HG2 LYS 99 -10.595 -0.200 -3.692 840 HG3 LYS 99 HG3 LYS 99 -11.447 -0.886 -2.338 841 HD2 LYS 99 HD2 LYS 99 -13.426 -0.955 -3.471 842 HD3 LYS 99 HD3 LYS 99 -13.298 0.694 -3.996 843 HE2 LYS 99 HE2 LYS 99 -13.372 -0.724 -5.966 844 HE3 LYS 99 HE3 LYS 99 -11.773 -0.013 -5.876 845 HZ1 LYS 99 HZ1 LYS 99 -12.504 -2.721 -5.002 846 HZ2 LYS 99 HZ2 LYS 99 -10.994 -2.066 -4.901 847 HZ3 LYS 99 HZ3 LYS 99 -11.684 -2.329 -6.376 848 H SER 100 HN SER 100 -8.334 -0.130 -0.802 849 HA SER 100 HA SER 100 -6.365 0.918 -2.790 850 HB2 SER 100 HB2 SER 100 -6.091 -0.307 -0.002 851 HB3 SER 100 HB3 SER 100 -4.729 -0.016 -1.069 852 HG SER 100 HG SER 100 -5.052 1.705 0.345 853 H VAL 101 HN VAL 101 -5.672 -0.452 -4.335 854 HA VAL 101 HA VAL 101 -5.811 -3.393 -3.893 855 HB VAL 101 HB VAL 101 -6.583 -1.913 -6.454 856 HG11 VAL 101 HG11 VAL 101 -7.134 -4.183 -7.373 857 HG12 VAL 101 HG12 VAL 101 -5.420 -4.004 -7.077 858 HG13 VAL 101 HG13 VAL 101 -6.414 -4.925 -5.952 859 HG21 VAL 101 HG21 VAL 101 -8.829 -2.959 -6.155 860 HG22 VAL 101 HG22 VAL 101 -8.333 -3.554 -4.573 861 HG23 VAL 101 HG23 VAL 101 -8.455 -1.823 -4.875 862 H THR 102 HN THR 102 -3.823 -4.191 -4.053 863 HA THR 102 HA THR 102 -1.730 -2.828 -5.696 864 HB THR 102 HB THR 102 -1.470 -4.827 -3.403 865 HG1 THR 102 HG1 THR 102 -2.023 -2.811 -2.704 866 HG21 THR 102 HG21 THR 102 0.740 -3.410 -4.989 867 HG22 THR 102 HG22 THR 102 0.504 -5.155 -4.865 868 HG23 THR 102 HG23 THR 102 0.990 -4.239 -3.458 869 H GLU 103 HN GLU 103 -0.411 -4.200 -7.011 870 HA GLU 103 HA GLU 103 -1.433 -6.872 -7.783 871 HB2 GLU 103 HB2 GLU 103 -2.533 -5.322 -9.286 872 HB3 GLU 103 HB3 GLU 103 -1.107 -4.376 -9.473 873 HG2 GLU 103 HG2 GLU 103 -0.029 -6.342 -10.737 874 HG3 GLU 103 HG3 GLU 103 -1.553 -7.190 -10.593 875 H LEU 104 HN LEU 104 0.153 -8.269 -8.361 876 HA LEU 104 HA LEU 104 2.975 -7.315 -8.627 877 HB2 LEU 104 HB2 LEU 104 2.331 -8.664 -6.526 878 HB3 LEU 104 HB3 LEU 104 1.996 -10.016 -7.552 879 HG LEU 104 HG LEU 104 4.658 -8.619 -7.138 880 HD11 LEU 104 HD11 LEU 104 3.379 -10.747 -5.685 881 HD12 LEU 104 HD12 LEU 104 4.938 -9.975 -5.422 882 HD13 LEU 104 HD13 LEU 104 4.807 -11.392 -6.448 883 HD21 LEU 104 HD21 LEU 104 4.004 -10.726 -9.186 884 HD22 LEU 104 HD22 LEU 104 5.583 -10.741 -8.426 885 HD23 LEU 104 HD23 LEU 104 5.060 -9.314 -9.292 886 H ASN 105 HN ASN 105 3.562 -7.526 -10.732 887 HA ASN 105 HA ASN 105 2.681 -9.896 -12.265 888 HB2 ASN 105 HB2 ASN 105 2.496 -6.962 -13.077 889 HB3 ASN 105 HB3 ASN 105 2.956 -8.124 -14.285 890 HD21 ASN 105 HD21 ASN 105 0.427 -8.364 -11.677 891 HD22 ASN 105 HD22 ASN 105 -0.838 -8.780 -12.807 892 H GLY 106 HN GLY 106 4.649 -10.792 -11.453 893 HA2 GLY 106 HA2 GLY 106 6.757 -11.554 -11.799 894 HA3 GLY 106 HA1 GLY 106 6.880 -10.537 -13.223 895 H ASP 107 HN ASP 107 8.267 -8.806 -13.116 896 HA ASP 107 HA ASP 107 9.571 -8.073 -10.611 897 HB2 ASP 107 HB2 ASP 107 10.833 -6.426 -12.132 898 HB3 ASP 107 HB3 ASP 107 11.163 -8.143 -12.264 899 H ILE 108 HN ILE 108 6.886 -6.905 -12.546 900 HA ILE 108 HA ILE 108 7.120 -4.151 -11.611 901 HB ILE 108 HB ILE 108 4.869 -5.497 -13.170 902 HG12 ILE 108 HG12 ILE 108 6.784 -5.817 -14.518 903 HG13 ILE 108 HG13 ILE 108 5.875 -4.527 -15.222 904 HG21 ILE 108 HG21 ILE 108 4.069 -3.370 -12.255 905 HG22 ILE 108 HG22 ILE 108 5.499 -2.529 -12.835 906 HG23 ILE 108 HG23 ILE 108 4.327 -3.188 -13.971 907 HD11 ILE 108 HD11 ILE 108 7.581 -2.952 -13.848 908 HD12 ILE 108 HD12 ILE 108 8.556 -4.421 -13.816 909 HD13 ILE 108 HD13 ILE 108 8.090 -3.709 -15.353 910 H ILE 109 HN ILE 109 5.937 -3.179 -10.033 911 HA ILE 109 HA ILE 109 3.742 -4.672 -8.667 912 HB ILE 109 HB ILE 109 5.728 -2.722 -7.415 913 HG12 ILE 109 HG12 ILE 109 6.874 -4.751 -7.756 914 HG13 ILE 109 HG13 ILE 109 6.574 -4.534 -6.062 915 HG21 ILE 109 HG21 ILE 109 3.413 -4.188 -6.066 916 HG22 ILE 109 HG22 ILE 109 4.659 -3.264 -5.233 917 HG23 ILE 109 HG23 ILE 109 3.542 -2.452 -6.303 918 HD11 ILE 109 HD11 ILE 109 5.717 -6.706 -7.865 919 HD12 ILE 109 HD12 ILE 109 5.842 -6.712 -6.111 920 HD13 ILE 109 HD13 ILE 109 4.376 -6.129 -6.880 921 H THR 110 HN THR 110 1.950 -3.717 -9.467 922 HA THR 110 HA THR 110 1.834 -0.757 -9.803 923 HB THR 110 HB THR 110 -0.191 -2.886 -10.625 924 HG1 THR 110 HG1 THR 110 0.680 -2.891 -12.557 925 HG21 THR 110 HG21 THR 110 -1.264 -0.659 -10.540 926 HG22 THR 110 HG22 THR 110 -1.021 -1.130 -12.208 927 HG23 THR 110 HG23 THR 110 0.062 0.042 -11.464 928 H ASN 111 HN ASN 111 0.156 0.422 -8.732 929 HA ASN 111 HA ASN 111 -1.553 -0.934 -6.804 930 HB2 ASN 111 HB2 ASN 111 0.437 -0.515 -5.436 931 HB3 ASN 111 HB3 ASN 111 0.590 1.111 -6.050 932 HD21 ASN 111 HD21 ASN 111 -1.970 -0.869 -4.365 933 HD22 ASN 111 HD22 ASN 111 -2.389 0.393 -3.235 934 H THR 112 HN THR 112 -3.457 0.124 -6.480 935 HA THR 112 HA THR 112 -3.909 2.812 -7.657 936 HB THR 112 HB THR 112 -5.734 0.354 -7.913 937 HG1 THR 112 HG1 THR 112 -4.022 0.394 -9.373 938 HG21 THR 112 HG21 THR 112 -7.158 2.398 -7.685 939 HG22 THR 112 HG22 THR 112 -7.184 1.830 -9.342 940 HG23 THR 112 HG23 THR 112 -6.192 3.217 -8.909 941 H MET 113 HN MET 113 -4.937 4.127 -6.225 942 HA MET 113 HA MET 113 -6.420 2.994 -3.897 943 HB2 MET 113 HB2 MET 113 -4.452 5.331 -3.887 944 HB3 MET 113 HB3 MET 113 -5.512 4.889 -2.578 945 HG2 MET 113 HG2 MET 113 -4.342 2.682 -2.374 946 HG3 MET 113 HG3 MET 113 -3.289 3.118 -3.689 947 HE1 MET 113 HE1 MET 113 -3.212 5.315 0.411 948 HE2 MET 113 HE2 MET 113 -4.384 5.782 -0.818 949 HE3 MET 113 HE3 MET 113 -4.475 4.177 -0.073 950 H THR 114 HN THR 114 -8.483 3.655 -4.042 951 HA THR 114 HA THR 114 -9.149 6.239 -5.396 952 HB THR 114 HB THR 114 -10.872 3.805 -4.729 953 HG1 THR 114 HG1 THR 114 -9.453 3.560 -6.461 954 HG21 THR 114 HG21 THR 114 -11.649 6.397 -6.178 955 HG22 THR 114 HG22 THR 114 -12.325 5.842 -4.650 956 HG23 THR 114 HG23 THR 114 -12.634 4.939 -6.120 957 H LEU 115 HN LEU 115 -9.184 7.849 -3.954 958 HA LEU 115 HA LEU 115 -10.697 7.530 -1.404 959 HB2 LEU 115 HB2 LEU 115 -8.371 7.974 -0.857 960 HB3 LEU 115 HB3 LEU 115 -8.242 9.210 -2.068 961 HG LEU 115 HG LEU 115 -9.689 10.726 -0.827 962 HD11 LEU 115 HD11 LEU 115 -9.942 9.543 1.773 963 HD12 LEU 115 HD12 LEU 115 -10.637 8.411 0.637 964 HD13 LEU 115 HD13 LEU 115 -11.209 10.067 0.676 965 HD21 LEU 115 HD21 LEU 115 -7.316 10.843 -0.351 966 HD22 LEU 115 HD22 LEU 115 -7.460 9.611 0.905 967 HD23 LEU 115 HD23 LEU 115 -8.231 11.182 1.108 968 H GLY 116 HN GLY 116 -12.680 8.060 -2.184 969 HA2 GLY 116 HA2 GLY 116 -14.403 9.326 -2.988 970 HA3 GLY 116 HA1 GLY 116 -13.386 10.751 -2.834 971 H ASP 117 HN ASP 117 -13.442 11.774 -4.797 972 HA ASP 117 HA ASP 117 -13.466 10.302 -7.318 973 HB2 ASP 117 HB2 ASP 117 -13.620 13.308 -6.915 974 HB3 ASP 117 HB3 ASP 117 -13.800 12.438 -8.423 975 H ILE 118 HN ILE 118 -10.891 10.749 -5.410 976 HA ILE 118 HA ILE 118 -9.062 11.427 -7.693 977 HB ILE 118 HB ILE 118 -8.459 11.400 -4.708 978 HG12 ILE 118 HG12 ILE 118 -8.679 13.785 -6.588 979 HG13 ILE 118 HG13 ILE 118 -9.907 13.339 -5.443 980 HG21 ILE 118 HG21 ILE 118 -6.260 12.422 -5.420 981 HG22 ILE 118 HG22 ILE 118 -6.429 10.789 -6.007 982 HG23 ILE 118 HG23 ILE 118 -6.686 12.150 -7.096 983 HD11 ILE 118 HD11 ILE 118 -7.721 13.495 -3.746 984 HD12 ILE 118 HD12 ILE 118 -7.348 14.735 -4.943 985 HD13 ILE 118 HD13 ILE 118 -8.859 14.800 -4.047 986 H VAL 119 HN VAL 119 -8.129 9.738 -8.624 987 HA VAL 119 HA VAL 119 -7.876 7.146 -7.157 988 HB VAL 119 HB VAL 119 -8.181 7.637 -10.149 989 HG11 VAL 119 HG11 VAL 119 -8.409 5.139 -10.297 990 HG12 VAL 119 HG12 VAL 119 -6.806 5.595 -9.768 991 HG13 VAL 119 HG13 VAL 119 -7.980 5.009 -8.595 992 HG21 VAL 119 HG21 VAL 119 -10.181 6.495 -8.151 993 HG22 VAL 119 HG22 VAL 119 -10.337 8.014 -9.025 994 HG23 VAL 119 HG23 VAL 119 -10.384 6.496 -9.898 995 H PHE 120 HN PHE 120 -5.900 7.785 -6.229 996 HA PHE 120 HA PHE 120 -3.560 8.494 -7.735 997 HB2 PHE 120 HB2 PHE 120 -3.613 9.091 -5.459 998 HB3 PHE 120 HB3 PHE 120 -4.050 7.501 -4.909 999 HD1 PHE 120 HD1 PHE 120 -2.290 6.101 -4.047 1000 HD2 PHE 120 HD2 PHE 120 -1.308 9.276 -6.790 1001 HE1 PHE 120 HE1 PHE 120 0.104 5.615 -3.777 1002 HE2 PHE 120 HE2 PHE 120 1.077 8.732 -6.537 1003 HZ PHE 120 HZ PHE 120 1.787 6.937 -5.004 1004 H LYS 121 HN LYS 121 -1.986 7.255 -8.630 1005 HA LYS 121 HA LYS 121 -2.071 4.332 -8.320 1006 HB2 LYS 121 HB2 LYS 121 -2.239 5.918 -10.903 1007 HB3 LYS 121 HB3 LYS 121 -1.451 4.364 -10.916 1008 HG2 LYS 121 HG2 LYS 121 -3.355 3.148 -10.380 1009 HG3 LYS 121 HG3 LYS 121 -4.187 4.487 -9.662 1010 HD2 LYS 121 HD2 LYS 121 -5.302 3.917 -11.678 1011 HD3 LYS 121 HD3 LYS 121 -4.627 5.504 -11.847 1012 HE2 LYS 121 HE2 LYS 121 -3.116 3.077 -12.945 1013 HE3 LYS 121 HE3 LYS 121 -4.463 3.772 -13.823 1014 HZ1 LYS 121 HZ1 LYS 121 -2.489 4.730 -14.573 1015 HZ2 LYS 121 HZ2 LYS 121 -2.041 5.239 -13.080 1016 HZ3 LYS 121 HZ3 LYS 121 -3.373 5.889 -13.806 1017 H ARG 122 HN ARG 122 -0.084 3.300 -8.524 1018 HA ARG 122 HA ARG 122 2.336 4.901 -8.966 1019 HB2 ARG 122 HB2 ARG 122 1.454 4.432 -6.304 1020 HB3 ARG 122 HB3 ARG 122 2.571 3.135 -6.573 1021 HG2 ARG 122 HG2 ARG 122 4.197 4.905 -7.450 1022 HG3 ARG 122 HG3 ARG 122 3.132 6.147 -6.861 1023 HD2 ARG 122 HD2 ARG 122 4.615 5.935 -5.042 1024 HD3 ARG 122 HD3 ARG 122 3.414 4.753 -4.564 1025 HE ARG 122 HE ARG 122 5.040 3.220 -6.082 1026 HH11 ARG 122 HH11 ARG 122 5.458 5.181 -3.141 1027 HH12 ARG 122 HH12 ARG 122 6.735 4.173 -2.508 1028 HH21 ARG 122 HH21 ARG 122 6.799 1.969 -5.260 1029 HH22 ARG 122 HH22 ARG 122 7.402 2.287 -3.656 1030 H ILE 123 HN ILE 123 3.992 3.722 -9.841 1031 HA ILE 123 HA ILE 123 3.643 0.775 -10.157 1032 HB ILE 123 HB ILE 123 4.702 2.669 -12.317 1033 HG12 ILE 123 HG12 ILE 123 2.549 1.732 -13.558 1034 HG13 ILE 123 HG13 ILE 123 1.917 1.514 -11.960 1035 HG21 ILE 123 HG21 ILE 123 4.577 0.655 -13.780 1036 HG22 ILE 123 HG22 ILE 123 5.681 0.394 -12.455 1037 HG23 ILE 123 HG23 ILE 123 4.070 -0.319 -12.404 1038 HD11 ILE 123 HD11 ILE 123 1.631 3.799 -13.449 1039 HD12 ILE 123 HD12 ILE 123 1.594 3.834 -11.698 1040 HD13 ILE 123 HD13 ILE 123 3.070 4.253 -12.559 1041 H SER 124 HN SER 124 5.461 -0.343 -9.702 1042 HA SER 124 HA SER 124 8.097 1.013 -9.528 1043 HB2 SER 124 HB2 SER 124 6.778 -0.819 -7.438 1044 HB3 SER 124 HB3 SER 124 8.464 -0.346 -7.402 1045 HG SER 124 HG SER 124 6.278 1.433 -7.402 1046 H LYS 125 HN LYS 125 9.914 -0.580 -9.613 1047 HA LYS 125 HA LYS 125 9.269 -3.184 -10.845 1048 HB2 LYS 125 HB2 LYS 125 9.403 -1.613 -12.707 1049 HB3 LYS 125 HB3 LYS 125 10.956 -1.027 -12.185 1050 HG2 LYS 125 HG2 LYS 125 10.697 -3.984 -12.740 1051 HG3 LYS 125 HG3 LYS 125 10.586 -2.933 -14.104 1052 HD2 LYS 125 HD2 LYS 125 12.920 -2.685 -12.163 1053 HD3 LYS 125 HD3 LYS 125 12.934 -3.905 -13.397 1054 HE2 LYS 125 HE2 LYS 125 12.662 -0.886 -13.911 1055 HE3 LYS 125 HE3 LYS 125 14.159 -1.788 -14.011 1056 HZ1 LYS 125 HZ1 LYS 125 13.205 -3.124 -15.740 1057 HZ2 LYS 125 HZ2 LYS 125 13.177 -1.524 -16.143 1058 HZ3 LYS 125 HZ3 LYS 125 11.793 -2.279 -15.666 1059 H ARG 126 HN ARG 126 10.760 -4.757 -10.527 1060 HA ARG 126 HA ARG 126 12.165 -4.650 -8.154 1061 HB2 ARG 126 HB2 ARG 126 11.057 -6.595 -9.111 1062 HB3 ARG 126 HB3 ARG 126 12.263 -6.747 -10.357 1063 HG2 ARG 126 HG2 ARG 126 13.980 -7.452 -8.714 1064 HG3 ARG 126 HG3 ARG 126 13.006 -6.780 -7.456 1065 HD2 ARG 126 HD2 ARG 126 12.994 -9.284 -7.518 1066 HD3 ARG 126 HD3 ARG 126 11.479 -8.469 -7.242 1067 HE ARG 126 HE ARG 126 10.766 -9.521 -9.196 1068 HH11 ARG 126 HH11 ARG 126 14.329 -9.441 -9.353 1069 HH12 ARG 126 HH12 ARG 126 14.393 -10.387 -10.815 1070 HH21 ARG 126 HH21 ARG 126 10.887 -10.762 -11.080 1071 HH22 ARG 126 HH22 ARG 126 12.429 -11.140 -11.795 1072 H ILE 127 HN ILE 127 14.244 -4.540 -7.486 1073 HA ILE 127 HA ILE 127 16.260 -3.479 -9.378 1074 HB ILE 127 HB ILE 127 16.587 -3.700 -6.354 1075 HG12 ILE 127 HG12 ILE 127 15.159 -1.476 -7.828 1076 HG13 ILE 127 HG13 ILE 127 14.501 -2.489 -6.587 1077 HG21 ILE 127 HG21 ILE 127 18.218 -1.856 -6.688 1078 HG22 ILE 127 HG22 ILE 127 18.620 -3.174 -7.753 1079 HG23 ILE 127 HG23 ILE 127 17.794 -1.759 -8.393 1080 HD11 ILE 127 HD11 ILE 127 16.319 -0.121 -6.308 1081 HD12 ILE 127 HD12 ILE 127 14.969 -0.628 -5.302 1082 HD13 ILE 127 HD13 ILE 127 16.535 -1.411 -5.132 Start of MODEL 6 1 H1 HIS -7 HN HIS -7 18.171 -12.388 -22.662 2 HA HIS -7 HA HIS -7 17.020 -15.036 -22.702 3 HB2 HIS -7 HB2 HIS -7 18.679 -14.816 -24.719 4 HB3 HIS -7 HB3 HIS -7 19.838 -14.051 -23.676 5 HD1 HIS -7 HD1 HIS -7 21.549 -15.780 -24.562 6 HD2 HIS -7 HD2 HIS -7 18.466 -17.507 -22.251 7 HE1 HIS -7 HE1 HIS -7 22.254 -18.118 -23.913 8 H HIS -6 HN HIS -6 16.809 -15.413 -20.648 9 HA HIS -6 HA HIS -6 18.774 -15.192 -18.665 10 HB2 HIS -6 HB2 HIS -6 17.963 -13.371 -17.261 11 HB3 HIS -6 HB3 HIS -6 18.448 -12.716 -18.771 12 HD1 HIS -6 HD1 HIS -6 15.532 -13.083 -16.508 13 HD2 HIS -6 HD2 HIS -6 16.198 -11.686 -20.429 14 HE1 HIS -6 HE1 HIS -6 13.508 -11.741 -17.230 15 H HIS -5 HN HIS -5 16.543 -16.893 -19.834 16 HA HIS -5 HA HIS -5 15.364 -17.893 -17.371 17 HB2 HIS -5 HB2 HIS -5 13.029 -17.638 -18.215 18 HB3 HIS -5 HB3 HIS -5 13.768 -16.094 -17.946 19 HD1 HIS -5 HD1 HIS -5 13.679 -14.436 -19.855 20 HD2 HIS -5 HD2 HIS -5 12.912 -18.369 -21.182 21 HE1 HIS -5 HE1 HIS -5 12.994 -14.343 -22.290 22 H HIS -4 HN HIS -4 13.823 -19.763 -18.024 23 HA HIS -4 HA HIS -4 14.534 -21.088 -20.561 24 HB2 HIS -4 HB2 HIS -4 16.084 -22.106 -18.939 25 HB3 HIS -4 HB3 HIS -4 14.798 -22.400 -17.803 26 HD1 HIS -4 HD1 HIS -4 15.622 -23.358 -21.449 27 HD2 HIS -4 HD2 HIS -4 13.767 -25.017 -18.039 28 HE1 HIS -4 HE1 HIS -4 14.947 -25.736 -21.984 29 H HIS -3 HN HIS -3 12.752 -22.410 -17.789 30 HA HIS -3 HA HIS -3 10.161 -21.492 -18.775 31 HB2 HIS -3 HB2 HIS -3 10.481 -23.555 -20.100 32 HB3 HIS -3 HB3 HIS -3 10.931 -24.455 -18.678 33 HD1 HIS -3 HD1 HIS -3 7.884 -22.566 -20.067 34 HD2 HIS -3 HD2 HIS -3 8.747 -25.707 -17.385 35 HE1 HIS -3 HE1 HIS -3 5.698 -23.584 -19.300 36 H HIS -2 HN HIS -2 9.308 -20.663 -16.987 37 HA HIS -2 HA HIS -2 9.093 -22.210 -14.558 38 HB2 HIS -2 HB2 HIS -2 11.383 -21.101 -14.335 39 HB3 HIS -2 HB3 HIS -2 10.617 -19.545 -14.468 40 HD1 HIS -2 HD1 HIS -2 10.600 -22.651 -12.223 41 HD2 HIS -2 HD2 HIS -2 9.692 -18.537 -11.964 42 HE1 HIS -2 HE1 HIS -2 10.127 -22.089 -9.801 43 H VAL -1 HN VAL -1 7.024 -21.918 -14.001 44 HA VAL -1 HA VAL -1 5.653 -19.326 -14.605 45 HB VAL -1 HB VAL -1 4.514 -22.149 -14.820 46 HG11 VAL -1 HG11 VAL -1 3.162 -19.453 -15.333 47 HG12 VAL -1 HG12 VAL -1 2.474 -21.019 -15.742 48 HG13 VAL -1 HG13 VAL -1 2.730 -20.596 -14.066 49 HG21 VAL -1 HG21 VAL -1 5.946 -21.701 -16.766 50 HG22 VAL -1 HG22 VAL -1 4.265 -21.645 -17.254 51 HG23 VAL -1 HG23 VAL -1 5.161 -20.146 -17.029 52 H ALA 0 HN ALA 0 6.205 -18.608 -12.557 53 HA ALA 0 HA ALA 0 4.262 -19.158 -10.544 54 HB1 ALA 0 HB1 ALA 0 5.866 -20.990 -9.923 55 HB2 ALA 0 HB2 ALA 0 7.190 -19.832 -9.887 56 HB3 ALA 0 HB3 ALA 0 5.889 -19.722 -8.709 57 H MET 1 HN MET 1 4.269 -17.498 -8.938 58 HA MET 1 HA MET 1 5.853 -15.063 -9.627 59 HB2 MET 1 HB2 MET 1 3.771 -13.793 -9.040 60 HB3 MET 1 HB3 MET 1 3.711 -14.672 -10.515 61 HG2 MET 1 HG2 MET 1 2.484 -15.783 -7.944 62 HG3 MET 1 HG3 MET 1 1.633 -14.702 -8.998 63 HE1 MET 1 HE1 MET 1 1.140 -15.114 -11.548 64 HE2 MET 1 HE2 MET 1 2.600 -15.970 -12.059 65 HE3 MET 1 HE3 MET 1 1.020 -16.728 -12.259 66 H SER 2 HN SER 2 6.369 -13.670 -7.975 67 HA SER 2 HA SER 2 6.238 -14.710 -5.182 68 HB2 SER 2 HB2 SER 2 8.704 -14.027 -6.889 69 HB3 SER 2 HB3 SER 2 8.750 -14.088 -5.142 70 HG SER 2 HG SER 2 9.340 -16.061 -6.078 71 H PHE 3 HN PHE 3 5.398 -13.122 -3.962 72 HA PHE 3 HA PHE 3 5.587 -10.296 -4.582 73 HB2 PHE 3 HB2 PHE 3 4.694 -11.889 -2.152 74 HB3 PHE 3 HB3 PHE 3 4.829 -10.163 -2.084 75 HD1 PHE 3 HD1 PHE 3 3.440 -8.689 -3.615 76 HD2 PHE 3 HD2 PHE 3 2.800 -12.949 -3.310 77 HE1 PHE 3 HE1 PHE 3 1.190 -8.439 -4.587 78 HE2 PHE 3 HE2 PHE 3 0.562 -12.658 -4.298 79 HZ PHE 3 HZ PHE 3 -0.248 -10.408 -4.893 80 H SER 4 HN SER 4 7.608 -12.591 -2.855 81 HA SER 4 HA SER 4 9.240 -10.817 -1.390 82 HB2 SER 4 HB2 SER 4 10.722 -12.770 -1.201 83 HB3 SER 4 HB3 SER 4 9.059 -13.152 -0.825 84 HG SER 4 HG SER 4 10.077 -14.698 -2.176 85 H GLY 5 HN GLY 5 10.412 -9.220 -2.129 86 HA2 GLY 5 HA2 GLY 5 12.620 -9.307 -3.798 87 HA3 GLY 5 HA1 GLY 5 11.263 -8.943 -4.871 88 H LYS 6 HN LYS 6 13.083 -6.965 -4.701 89 HA LYS 6 HA LYS 6 11.706 -4.857 -3.107 90 HB2 LYS 6 HB2 LYS 6 14.062 -5.576 -2.210 91 HB3 LYS 6 HB3 LYS 6 14.697 -4.880 -3.671 92 HG2 LYS 6 HG2 LYS 6 13.019 -2.823 -2.725 93 HG3 LYS 6 HG3 LYS 6 13.484 -3.599 -1.253 94 HD2 LYS 6 HD2 LYS 6 15.415 -2.532 -3.324 95 HD3 LYS 6 HD3 LYS 6 14.914 -1.663 -1.900 96 HE2 LYS 6 HE2 LYS 6 15.941 -3.494 -0.476 97 HE3 LYS 6 HE3 LYS 6 16.510 -4.280 -1.941 98 HZ1 LYS 6 HZ1 LYS 6 17.742 -2.285 -2.451 99 HZ2 LYS 6 HZ2 LYS 6 18.171 -2.891 -0.976 100 HZ3 LYS 6 HZ3 LYS 6 17.201 -1.561 -1.069 101 H TYR 7 HN TYR 7 11.271 -3.012 -4.160 102 HA TYR 7 HA TYR 7 11.862 -2.834 -7.071 103 HB2 TYR 7 HB2 TYR 7 9.157 -2.429 -5.685 104 HB3 TYR 7 HB3 TYR 7 9.462 -2.358 -7.397 105 HD1 TYR 7 HD1 TYR 7 9.377 -4.371 -8.746 106 HD2 TYR 7 HD2 TYR 7 9.238 -4.646 -4.443 107 HE1 TYR 7 HE1 TYR 7 8.780 -6.764 -8.914 108 HE2 TYR 7 HE2 TYR 7 8.652 -7.046 -4.620 109 HH TYR 7 HH TYR 7 8.223 -8.689 -7.783 110 H GLN 8 HN GLN 8 12.134 -0.801 -7.880 111 HA GLN 8 HA GLN 8 12.070 1.514 -6.004 112 HB2 GLN 8 HB2 GLN 8 13.491 2.611 -7.578 113 HB3 GLN 8 HB3 GLN 8 14.169 1.067 -7.221 114 HG2 GLN 8 HG2 GLN 8 12.545 0.691 -9.607 115 HG3 GLN 8 HG3 GLN 8 13.354 2.218 -9.790 116 HE21 GLN 8 HE21 GLN 8 13.603 -0.976 -10.535 117 HE22 GLN 8 HE22 GLN 8 15.337 -1.113 -10.677 118 H LEU 9 HN LEU 9 10.915 3.431 -6.631 119 HA LEU 9 HA LEU 9 8.470 3.061 -8.097 120 HB2 LEU 9 HB2 LEU 9 9.366 4.773 -6.159 121 HB3 LEU 9 HB3 LEU 9 9.507 5.828 -7.523 122 HG LEU 9 HG LEU 9 7.008 4.344 -6.641 123 HD11 LEU 9 HD11 LEU 9 6.235 6.416 -5.657 124 HD12 LEU 9 HD12 LEU 9 7.607 7.313 -6.295 125 HD13 LEU 9 HD13 LEU 9 7.843 6.117 -5.026 126 HD21 LEU 9 HD21 LEU 9 6.187 4.837 -8.692 127 HD22 LEU 9 HD22 LEU 9 7.522 5.921 -9.091 128 HD23 LEU 9 HD23 LEU 9 6.158 6.517 -8.186 129 H GLN 10 HN GLN 10 7.916 3.709 -10.162 130 HA GLN 10 HA GLN 10 10.111 4.578 -12.007 131 HB2 GLN 10 HB2 GLN 10 7.718 2.740 -12.508 132 HB3 GLN 10 HB3 GLN 10 8.819 3.276 -13.735 133 HG2 GLN 10 HG2 GLN 10 9.673 1.583 -11.319 134 HG3 GLN 10 HG3 GLN 10 9.206 0.944 -12.870 135 HE21 GLN 10 HE21 GLN 10 11.690 2.878 -11.184 136 HE22 GLN 10 HE22 GLN 10 12.921 2.657 -12.402 137 H SER 11 HN SER 11 6.559 4.663 -11.398 138 HA SER 11 HA SER 11 6.393 7.428 -12.340 139 HB2 SER 11 HB2 SER 11 5.270 5.034 -13.882 140 HB3 SER 11 HB3 SER 11 4.360 6.528 -13.853 141 HG SER 11 HG SER 11 7.056 6.312 -14.654 142 H GLN 12 HN GLN 12 4.449 8.459 -11.736 143 HA GLN 12 HA GLN 12 2.521 7.017 -10.126 144 HB2 GLN 12 HB2 GLN 12 2.828 8.529 -8.139 145 HB3 GLN 12 HB3 GLN 12 4.068 7.347 -8.387 146 HG2 GLN 12 HG2 GLN 12 5.490 9.218 -9.505 147 HG3 GLN 12 HG3 GLN 12 4.262 10.351 -8.990 148 HE21 GLN 12 HE21 GLN 12 6.645 11.003 -8.104 149 HE22 GLN 12 HE22 GLN 12 6.903 10.552 -6.442 150 H GLU 13 HN GLU 13 0.569 7.909 -10.091 151 HA GLU 13 HA GLU 13 0.108 10.466 -11.539 152 HB2 GLU 13 HB2 GLU 13 -0.818 7.646 -12.124 153 HB3 GLU 13 HB3 GLU 13 -2.018 8.880 -12.325 154 HG2 GLU 13 HG2 GLU 13 0.720 8.808 -13.705 155 HG3 GLU 13 HG3 GLU 13 -0.794 8.321 -14.433 156 H ASN 14 HN ASN 14 -1.739 11.580 -11.018 157 HA ASN 14 HA ASN 14 -2.872 12.697 -9.583 158 HB2 ASN 14 HB2 ASN 14 -3.948 9.914 -9.092 159 HB3 ASN 14 HB3 ASN 14 -4.401 11.062 -7.882 160 HD21 ASN 14 HD21 ASN 14 -5.877 9.678 -10.211 161 HD22 ASN 14 HD22 ASN 14 -6.834 10.999 -10.839 162 H PHE 15 HN PHE 15 -0.110 11.909 -8.815 163 HA PHE 15 HA PHE 15 0.139 11.303 -6.113 164 HB2 PHE 15 HB2 PHE 15 1.999 11.095 -7.674 165 HB3 PHE 15 HB3 PHE 15 2.060 12.819 -7.923 166 HD1 PHE 15 HD1 PHE 15 2.872 10.044 -5.616 167 HD2 PHE 15 HD2 PHE 15 2.916 14.335 -6.063 168 HE1 PHE 15 HE1 PHE 15 4.303 10.254 -3.637 169 HE2 PHE 15 HE2 PHE 15 4.303 14.503 -4.045 170 HZ PHE 15 HZ PHE 15 4.997 12.475 -2.833 171 H GLU 16 HN GLU 16 0.496 14.651 -7.503 172 HA GLU 16 HA GLU 16 0.478 15.879 -4.964 173 HB2 GLU 16 HB2 GLU 16 -0.220 17.083 -7.666 174 HB3 GLU 16 HB3 GLU 16 0.025 17.985 -6.203 175 HG2 GLU 16 HG2 GLU 16 2.401 16.764 -6.152 176 HG3 GLU 16 HG3 GLU 16 2.080 16.420 -7.828 177 H ALA 17 HN ALA 17 -2.264 15.258 -7.217 178 HA ALA 17 HA ALA 17 -4.270 16.653 -5.872 179 HB1 ALA 17 HB1 ALA 17 -4.544 15.702 -8.134 180 HB2 ALA 17 HB2 ALA 17 -4.446 14.063 -7.498 181 HB3 ALA 17 HB3 ALA 17 -5.814 15.089 -7.086 182 H PHE 18 HN PHE 18 -3.246 13.237 -5.384 183 HA PHE 18 HA PHE 18 -5.029 12.663 -3.235 184 HB2 PHE 18 HB2 PHE 18 -4.136 10.906 -4.614 185 HB3 PHE 18 HB3 PHE 18 -2.489 11.357 -4.281 186 HD1 PHE 18 HD1 PHE 18 -1.361 10.690 -2.213 187 HD2 PHE 18 HD2 PHE 18 -5.516 9.729 -2.854 188 HE1 PHE 18 HE1 PHE 18 -1.328 9.189 -0.265 189 HE2 PHE 18 HE2 PHE 18 -5.425 8.188 -0.928 190 HZ PHE 18 HZ PHE 18 -3.357 7.948 0.377 191 H MET 19 HN MET 19 -1.585 13.728 -3.279 192 HA MET 19 HA MET 19 -1.198 13.459 -0.489 193 HB2 MET 19 HB2 MET 19 0.419 15.042 -2.502 194 HB3 MET 19 HB3 MET 19 0.887 14.662 -0.859 195 HG2 MET 19 HG2 MET 19 0.144 12.299 -2.541 196 HG3 MET 19 HG3 MET 19 1.598 13.141 -2.984 197 HE1 MET 19 HE1 MET 19 0.818 9.898 -1.373 198 HE2 MET 19 HE2 MET 19 1.821 10.427 -2.722 199 HE3 MET 19 HE3 MET 19 2.582 9.769 -1.268 200 H LYS 20 HN LYS 20 -2.101 16.345 -2.470 201 HA LYS 20 HA LYS 20 -2.209 18.190 -0.274 202 HB2 LYS 20 HB2 LYS 20 -3.452 18.179 -3.073 203 HB3 LYS 20 HB3 LYS 20 -3.878 19.362 -1.900 204 HG2 LYS 20 HG2 LYS 20 -2.303 20.666 -2.611 205 HG3 LYS 20 HG3 LYS 20 -1.171 19.693 -1.742 206 HD2 LYS 20 HD2 LYS 20 -0.517 18.498 -3.741 207 HD3 LYS 20 HD3 LYS 20 -1.941 19.008 -4.615 208 HE2 LYS 20 HE2 LYS 20 -0.247 20.309 -5.572 209 HE3 LYS 20 HE3 LYS 20 -0.992 21.432 -4.458 210 HZ1 LYS 20 HZ1 LYS 20 1.363 21.497 -4.340 211 HZ2 LYS 20 HZ2 LYS 20 1.470 19.883 -4.049 212 HZ3 LYS 20 HZ3 LYS 20 0.807 20.884 -2.910 213 H ALA 21 HN ALA 21 -4.582 15.865 -1.646 214 HA ALA 21 HA ALA 21 -6.828 16.863 -0.199 215 HB1 ALA 21 HB1 ALA 21 -6.351 14.186 -1.586 216 HB2 ALA 21 HB2 ALA 21 -7.901 14.719 -0.947 217 HB3 ALA 21 HB3 ALA 21 -7.145 15.614 -2.252 218 H ILE 22 HN ILE 22 -4.419 14.307 0.616 219 HA ILE 22 HA ILE 22 -5.799 13.681 3.123 220 HB ILE 22 HB ILE 22 -3.923 12.268 3.657 221 HG12 ILE 22 HG12 ILE 22 -2.610 12.952 1.032 222 HG13 ILE 22 HG13 ILE 22 -2.072 13.629 2.537 223 HG21 ILE 22 HG21 ILE 22 -4.864 11.716 0.816 224 HG22 ILE 22 HG22 ILE 22 -4.297 10.534 1.988 225 HG23 ILE 22 HG23 ILE 22 -5.788 11.402 2.282 226 HD11 ILE 22 HD11 ILE 22 -1.707 11.238 3.402 227 HD12 ILE 22 HD12 ILE 22 -2.003 10.680 1.755 228 HD13 ILE 22 HD13 ILE 22 -0.645 11.733 2.091 229 H GLY 23 HN GLY 23 -3.956 16.320 2.147 230 HA2 GLY 23 HA2 GLY 23 -3.820 18.197 3.436 231 HA3 GLY 23 HA1 GLY 23 -4.040 17.276 4.903 232 H LEU 24 HN LEU 24 -1.421 16.338 2.618 233 HA LEU 24 HA LEU 24 0.615 16.888 4.567 234 HB2 LEU 24 HB2 LEU 24 0.655 16.086 1.625 235 HB3 LEU 24 HB3 LEU 24 2.130 16.368 2.481 236 HG LEU 24 HG LEU 24 0.062 14.352 3.451 237 HD11 LEU 24 HD11 LEU 24 1.796 12.666 2.478 238 HD12 LEU 24 HD12 LEU 24 2.359 14.025 1.505 239 HD13 LEU 24 HD13 LEU 24 0.693 13.478 1.377 240 HD21 LEU 24 HD21 LEU 24 2.779 15.199 4.427 241 HD22 LEU 24 HD22 LEU 24 2.419 13.490 4.502 242 HD23 LEU 24 HD23 LEU 24 1.383 14.643 5.329 243 HA PRO 25 HA PRO 25 1.585 21.136 3.311 244 HB2 PRO 25 HB2 PRO 25 4.187 21.335 4.172 245 HB3 PRO 25 HB3 PRO 25 2.825 21.244 5.277 246 HG2 PRO 25 HG2 PRO 25 4.587 18.970 4.350 247 HG3 PRO 25 HG3 PRO 25 4.208 19.391 6.020 248 HD2 PRO 25 HD2 PRO 25 2.816 17.459 4.716 249 HD3 PRO 25 HD3 PRO 25 1.949 18.568 5.786 250 H GLU 26 HN GLU 26 2.538 22.207 1.589 251 HA GLU 26 HA GLU 26 2.979 20.735 -0.711 252 HB2 GLU 26 HB2 GLU 26 1.988 22.918 -0.656 253 HB3 GLU 26 HB3 GLU 26 3.436 23.658 -0.072 254 HG2 GLU 26 HG2 GLU 26 3.713 22.228 -2.724 255 HG3 GLU 26 HG3 GLU 26 2.604 23.563 -2.712 256 H GLU 27 HN GLU 27 5.483 21.859 1.554 257 HA GLU 27 HA GLU 27 7.747 21.433 -0.079 258 HB2 GLU 27 HB2 GLU 27 7.842 22.618 2.057 259 HB3 GLU 27 HB3 GLU 27 7.372 21.191 2.936 260 HG2 GLU 27 HG2 GLU 27 9.554 20.061 2.149 261 HG3 GLU 27 HG3 GLU 27 9.996 21.570 1.390 262 H LEU 28 HN LEU 28 6.075 19.130 2.160 263 HA LEU 28 HA LEU 28 7.721 16.898 1.560 264 HB2 LEU 28 HB2 LEU 28 4.971 17.190 2.802 265 HB3 LEU 28 HB3 LEU 28 5.655 15.618 2.547 266 HG LEU 28 HG LEU 28 7.044 17.775 4.171 267 HD11 LEU 28 HD11 LEU 28 6.132 15.539 5.797 268 HD12 LEU 28 HD12 LEU 28 4.772 16.230 4.948 269 HD13 LEU 28 HD13 LEU 28 5.781 17.251 5.957 270 HD21 LEU 28 HD21 LEU 28 8.783 16.301 3.522 271 HD22 LEU 28 HD22 LEU 28 7.740 14.872 3.598 272 HD23 LEU 28 HD23 LEU 28 8.299 15.646 5.070 273 H ILE 29 HN ILE 29 5.032 18.306 -0.177 274 HA ILE 29 HA ILE 29 4.525 15.959 -1.824 275 HB ILE 29 HB ILE 29 3.615 18.848 -2.080 276 HG12 ILE 29 HG12 ILE 29 1.986 16.435 -1.272 277 HG13 ILE 29 HG13 ILE 29 2.800 17.375 -0.081 278 HG21 ILE 29 HG21 ILE 29 3.532 17.857 -4.337 279 HG22 ILE 29 HG22 ILE 29 2.730 16.420 -3.708 280 HG23 ILE 29 HG23 ILE 29 1.903 17.965 -3.720 281 HD11 ILE 29 HD11 ILE 29 1.307 19.081 -0.129 282 HD12 ILE 29 HD12 ILE 29 1.118 19.047 -1.867 283 HD13 ILE 29 HD13 ILE 29 0.249 17.890 -0.865 284 H GLN 30 HN GLN 30 6.266 19.136 -2.239 285 HA GLN 30 HA GLN 30 7.077 18.577 -4.913 286 HB2 GLN 30 HB2 GLN 30 8.191 20.564 -2.881 287 HB3 GLN 30 HB3 GLN 30 8.697 20.476 -4.538 288 HG2 GLN 30 HG2 GLN 30 6.141 21.564 -3.434 289 HG3 GLN 30 HG3 GLN 30 7.205 22.248 -4.606 290 HE21 GLN 30 HE21 GLN 30 4.280 20.627 -4.082 291 HE22 GLN 30 HE22 GLN 30 3.884 20.198 -5.731 292 H LYS 31 HN LYS 31 8.669 17.788 -1.828 293 HA LYS 31 HA LYS 31 11.060 16.784 -3.191 294 HB2 LYS 31 HB2 LYS 31 11.920 16.371 -1.020 295 HB3 LYS 31 HB3 LYS 31 11.128 17.909 -0.985 296 HG2 LYS 31 HG2 LYS 31 10.227 17.112 0.958 297 HG3 LYS 31 HG3 LYS 31 9.056 16.439 -0.125 298 HD2 LYS 31 HD2 LYS 31 11.104 14.445 0.027 299 HD3 LYS 31 HD3 LYS 31 10.965 15.083 1.638 300 HE2 LYS 31 HE2 LYS 31 8.423 14.705 1.476 301 HE3 LYS 31 HE3 LYS 31 8.709 13.854 -0.024 302 HZ1 LYS 31 HZ1 LYS 31 10.081 12.321 1.188 303 HZ2 LYS 31 HZ2 LYS 31 8.576 12.407 1.849 304 HZ3 LYS 31 HZ3 LYS 31 9.843 13.157 2.590 305 H GLY 32 HN GLY 32 7.901 15.570 -2.675 306 HA2 GLY 32 HA2 GLY 32 8.697 12.707 -2.459 307 HA3 GLY 32 HA1 GLY 32 7.100 13.404 -2.286 308 H LYS 33 HN LYS 33 7.347 15.107 -4.792 309 HA LYS 33 HA LYS 33 6.479 13.079 -6.666 310 HB2 LYS 33 HB2 LYS 33 5.850 14.943 -8.107 311 HB3 LYS 33 HB3 LYS 33 5.159 15.042 -6.533 312 HG2 LYS 33 HG2 LYS 33 5.930 17.074 -6.191 313 HG3 LYS 33 HG3 LYS 33 7.585 16.596 -6.427 314 HD2 LYS 33 HD2 LYS 33 5.645 17.354 -8.660 315 HD3 LYS 33 HD3 LYS 33 6.740 18.467 -7.891 316 HE2 LYS 33 HE2 LYS 33 8.696 17.049 -8.647 317 HE3 LYS 33 HE3 LYS 33 7.578 16.007 -9.514 318 HZ1 LYS 33 HZ1 LYS 33 8.515 17.670 -10.921 319 HZ2 LYS 33 HZ2 LYS 33 7.943 18.884 -9.961 320 HZ3 LYS 33 HZ3 LYS 33 6.889 17.918 -10.782 321 H ASP 34 HN ASP 34 9.456 15.045 -6.291 322 HA ASP 34 HA ASP 34 10.390 14.319 -8.965 323 HB2 ASP 34 HB2 ASP 34 12.496 15.490 -8.362 324 HB3 ASP 34 HB3 ASP 34 11.054 16.488 -8.399 325 H ILE 35 HN ILE 35 11.407 13.664 -5.572 326 HA ILE 35 HA ILE 35 13.336 11.656 -6.344 327 HB ILE 35 HB ILE 35 12.107 12.207 -3.601 328 HG12 ILE 35 HG12 ILE 35 13.147 14.241 -4.266 329 HG13 ILE 35 HG13 ILE 35 14.125 13.494 -3.058 330 HG21 ILE 35 HG21 ILE 35 14.574 10.581 -4.345 331 HG22 ILE 35 HG22 ILE 35 14.217 11.137 -2.719 332 HG23 ILE 35 HG23 ILE 35 13.133 10.014 -3.509 333 HD11 ILE 35 HD11 ILE 35 15.683 14.295 -4.677 334 HD12 ILE 35 HD12 ILE 35 15.584 12.586 -5.079 335 HD13 ILE 35 HD13 ILE 35 14.701 13.775 -6.036 336 H LYS 36 HN LYS 36 12.738 9.740 -7.133 337 HA LYS 36 HA LYS 36 10.212 8.468 -6.619 338 HB2 LYS 36 HB2 LYS 36 12.792 7.642 -8.025 339 HB3 LYS 36 HB3 LYS 36 11.616 6.455 -7.619 340 HG2 LYS 36 HG2 LYS 36 10.893 6.938 -9.738 341 HG3 LYS 36 HG3 LYS 36 9.818 7.899 -8.788 342 HD2 LYS 36 HD2 LYS 36 10.459 9.292 -10.573 343 HD3 LYS 36 HD3 LYS 36 11.386 9.895 -9.232 344 HE2 LYS 36 HE2 LYS 36 13.406 8.628 -10.026 345 HE3 LYS 36 HE3 LYS 36 12.465 7.948 -11.343 346 HZ1 LYS 36 HZ1 LYS 36 12.130 10.154 -12.178 347 HZ2 LYS 36 HZ2 LYS 36 13.738 9.820 -12.034 348 HZ3 LYS 36 HZ3 LYS 36 12.996 10.801 -10.933 349 H GLY 37 HN GLY 37 9.625 7.150 -5.067 350 HA2 GLY 37 HA2 GLY 37 11.243 6.621 -2.720 351 HA3 GLY 37 HA1 GLY 37 9.599 6.096 -3.071 352 H VAL 38 HN VAL 38 10.722 4.169 -1.904 353 HA VAL 38 HA VAL 38 11.326 2.136 -3.951 354 HB VAL 38 HB VAL 38 12.936 2.199 -1.349 355 HG11 VAL 38 HG11 VAL 38 13.334 0.665 -3.923 356 HG12 VAL 38 HG12 VAL 38 14.455 0.650 -2.571 357 HG13 VAL 38 HG13 VAL 38 12.850 -0.014 -2.368 358 HG21 VAL 38 HG21 VAL 38 14.943 2.974 -2.594 359 HG22 VAL 38 HG22 VAL 38 13.940 3.314 -3.999 360 HG23 VAL 38 HG23 VAL 38 13.723 4.222 -2.501 361 H SER 39 HN SER 39 10.726 0.001 -3.216 362 HA SER 39 HA SER 39 9.214 -0.185 -0.689 363 HB2 SER 39 HB2 SER 39 8.075 -0.582 -3.504 364 HB3 SER 39 HB3 SER 39 7.386 -1.400 -2.114 365 HG SER 39 HG SER 39 6.351 0.552 -2.498 366 H GLU 40 HN GLU 40 9.921 -1.925 0.362 367 HA GLU 40 HA GLU 40 10.818 -4.312 -1.173 368 HB2 GLU 40 HB2 GLU 40 12.392 -3.281 0.587 369 HB3 GLU 40 HB3 GLU 40 11.260 -3.797 1.783 370 HG2 GLU 40 HG2 GLU 40 11.464 -6.168 1.141 371 HG3 GLU 40 HG3 GLU 40 12.453 -5.756 -0.237 372 H ILE 41 HN ILE 41 9.604 -6.083 -1.135 373 HA ILE 41 HA ILE 41 7.073 -6.125 0.468 374 HB ILE 41 HB ILE 41 7.544 -6.981 -2.436 375 HG12 ILE 41 HG12 ILE 41 6.132 -4.476 -1.463 376 HG13 ILE 41 HG13 ILE 41 7.650 -4.508 -2.309 377 HG21 ILE 41 HG21 ILE 41 4.895 -6.688 -0.955 378 HG22 ILE 41 HG22 ILE 41 5.120 -7.322 -2.578 379 HG23 ILE 41 HG23 ILE 41 5.698 -8.234 -1.206 380 HD11 ILE 41 HD11 ILE 41 4.906 -4.978 -3.444 381 HD12 ILE 41 HD12 ILE 41 6.246 -4.031 -4.081 382 HD13 ILE 41 HD13 ILE 41 6.275 -5.784 -4.208 383 H VAL 42 HN VAL 42 6.743 -8.126 1.491 384 HA VAL 42 HA VAL 42 8.195 -10.506 0.505 385 HB VAL 42 HB VAL 42 8.335 -9.870 3.478 386 HG11 VAL 42 HG11 VAL 42 10.032 -11.678 1.702 387 HG12 VAL 42 HG12 VAL 42 10.184 -11.507 3.446 388 HG13 VAL 42 HG13 VAL 42 8.738 -12.217 2.759 389 HG21 VAL 42 HG21 VAL 42 9.587 -7.973 2.548 390 HG22 VAL 42 HG22 VAL 42 10.681 -9.119 3.287 391 HG23 VAL 42 HG23 VAL 42 10.539 -9.064 1.537 392 H GLN 43 HN GLN 43 6.901 -12.230 0.535 393 HA GLN 43 HA GLN 43 4.495 -12.343 2.273 394 HB2 GLN 43 HB2 GLN 43 4.350 -12.997 -0.164 395 HB3 GLN 43 HB3 GLN 43 5.552 -14.216 0.102 396 HG2 GLN 43 HG2 GLN 43 3.558 -15.436 0.165 397 HG3 GLN 43 HG3 GLN 43 3.902 -15.276 1.859 398 HE21 GLN 43 HE21 GLN 43 2.168 -14.496 3.119 399 HE22 GLN 43 HE22 GLN 43 0.789 -13.658 2.466 400 H ASN 44 HN ASN 44 4.590 -13.470 4.173 401 HA ASN 44 HA ASN 44 7.017 -15.114 4.844 402 HB2 ASN 44 HB2 ASN 44 5.480 -13.243 6.695 403 HB3 ASN 44 HB3 ASN 44 6.949 -14.104 7.065 404 HD21 ASN 44 HD21 ASN 44 5.777 -11.101 6.478 405 HD22 ASN 44 HD22 ASN 44 7.185 -10.349 5.781 406 H GLY 45 HN GLY 45 5.040 -16.534 3.745 407 HA2 GLY 45 HA2 GLY 45 3.779 -18.419 4.225 408 HA3 GLY 45 HA1 GLY 45 3.951 -18.143 5.952 409 H LYS 46 HN LYS 46 2.015 -17.541 6.941 410 HA LYS 46 HA LYS 46 -0.194 -16.391 5.417 411 HB2 LYS 46 HB2 LYS 46 -0.440 -18.087 7.306 412 HB3 LYS 46 HB3 LYS 46 0.071 -16.862 8.419 413 HG2 LYS 46 HG2 LYS 46 -2.338 -16.973 8.492 414 HG3 LYS 46 HG3 LYS 46 -1.934 -15.458 7.772 415 HD2 LYS 46 HD2 LYS 46 -3.801 -16.420 6.586 416 HD3 LYS 46 HD3 LYS 46 -2.455 -16.292 5.507 417 HE2 LYS 46 HE2 LYS 46 -3.616 -18.426 5.164 418 HE3 LYS 46 HE3 LYS 46 -2.016 -18.770 5.780 419 HZ1 LYS 46 HZ1 LYS 46 -4.490 -18.677 7.367 420 HZ2 LYS 46 HZ2 LYS 46 -2.992 -19.007 7.967 421 HZ3 LYS 46 HZ3 LYS 46 -3.693 -20.040 6.889 422 H HIS 47 HN HIS 47 2.413 -15.236 7.530 423 HA HIS 47 HA HIS 47 1.438 -12.520 7.754 424 HB2 HIS 47 HB2 HIS 47 3.920 -14.016 8.547 425 HB3 HIS 47 HB3 HIS 47 4.137 -12.323 8.220 426 HD1 HIS 47 HD1 HIS 47 2.069 -10.759 9.476 427 HD2 HIS 47 HD2 HIS 47 3.466 -14.292 11.308 428 HE1 HIS 47 HE1 HIS 47 1.577 -10.618 11.950 429 H PHE 48 HN PHE 48 2.634 -10.677 6.912 430 HA PHE 48 HA PHE 48 4.034 -10.930 4.372 431 HB2 PHE 48 HB2 PHE 48 1.402 -10.957 4.002 432 HB3 PHE 48 HB3 PHE 48 1.438 -9.324 4.569 433 HD1 PHE 48 HD1 PHE 48 3.014 -7.619 3.210 434 HD2 PHE 48 HD2 PHE 48 1.769 -11.471 1.751 435 HE1 PHE 48 HE1 PHE 48 3.627 -6.975 0.927 436 HE2 PHE 48 HE2 PHE 48 2.353 -10.784 -0.538 437 HZ PHE 48 HZ PHE 48 3.259 -8.534 -0.954 438 H LYS 49 HN LYS 49 5.334 -9.094 4.114 439 HA LYS 49 HA LYS 49 5.066 -6.861 6.075 440 HB2 LYS 49 HB2 LYS 49 7.529 -8.297 5.026 441 HB3 LYS 49 HB3 LYS 49 7.617 -6.651 5.587 442 HG2 LYS 49 HG2 LYS 49 6.930 -7.178 7.807 443 HG3 LYS 49 HG3 LYS 49 6.434 -8.787 7.386 444 HD2 LYS 49 HD2 LYS 49 8.557 -8.857 8.579 445 HD3 LYS 49 HD3 LYS 49 8.773 -9.457 6.960 446 HE2 LYS 49 HE2 LYS 49 9.778 -7.264 6.255 447 HE3 LYS 49 HE3 LYS 49 9.521 -6.628 7.874 448 HZ1 LYS 49 HZ1 LYS 49 11.732 -7.420 7.561 449 HZ2 LYS 49 HZ2 LYS 49 11.201 -8.933 7.181 450 HZ3 LYS 49 HZ3 LYS 49 10.973 -8.338 8.702 451 H PHE 50 HN PHE 50 4.924 -4.899 5.276 452 HA PHE 50 HA PHE 50 5.701 -4.355 2.462 453 HB2 PHE 50 HB2 PHE 50 3.033 -4.063 3.635 454 HB3 PHE 50 HB3 PHE 50 3.663 -2.482 3.320 455 HD1 PHE 50 HD1 PHE 50 4.940 -2.209 0.948 456 HD2 PHE 50 HD2 PHE 50 1.911 -5.159 1.831 457 HE1 PHE 50 HE1 PHE 50 4.467 -2.471 -1.451 458 HE2 PHE 50 HE2 PHE 50 1.483 -5.402 -0.579 459 HZ PHE 50 HZ PHE 50 2.767 -4.072 -2.211 460 H THR 51 HN THR 51 7.487 -3.243 2.577 461 HA THR 51 HA THR 51 7.824 -1.109 4.633 462 HB THR 51 HB THR 51 9.825 -2.904 3.182 463 HG1 THR 51 HG1 THR 51 8.938 -3.685 5.064 464 HG21 THR 51 HG21 THR 51 10.472 -0.384 4.789 465 HG22 THR 51 HG22 THR 51 10.927 -0.703 3.120 466 HG23 THR 51 HG23 THR 51 11.649 -1.640 4.412 467 H ILE 52 HN ILE 52 7.754 0.915 3.773 468 HA ILE 52 HA ILE 52 8.297 1.340 0.869 469 HB ILE 52 HB ILE 52 5.976 2.575 2.439 470 HG12 ILE 52 HG12 ILE 52 4.724 1.267 0.386 471 HG13 ILE 52 HG13 ILE 52 6.028 0.163 0.638 472 HG21 ILE 52 HG21 ILE 52 5.244 3.478 0.219 473 HG22 ILE 52 HG22 ILE 52 6.761 4.157 0.733 474 HG23 ILE 52 HG23 ILE 52 6.743 2.891 -0.493 475 HD11 ILE 52 HD11 ILE 52 3.861 -0.288 1.955 476 HD12 ILE 52 HD12 ILE 52 5.292 -0.222 2.975 477 HD13 ILE 52 HD13 ILE 52 4.191 1.149 2.905 478 H THR 53 HN THR 53 9.319 3.253 0.418 479 HA THR 53 HA THR 53 9.663 5.272 2.541 480 HB THR 53 HB THR 53 11.729 4.013 2.624 481 HG1 THR 53 HG1 THR 53 12.006 6.247 2.674 482 HG21 THR 53 HG21 THR 53 13.286 3.756 0.716 483 HG22 THR 53 HG22 THR 53 12.064 4.389 -0.377 484 HG23 THR 53 HG23 THR 53 11.800 2.860 0.480 485 H ALA 54 HN ALA 54 10.117 7.373 1.805 486 HA ALA 54 HA ALA 54 9.983 8.056 -1.015 487 HB1 ALA 54 HB1 ALA 54 7.552 7.887 -0.467 488 HB2 ALA 54 HB2 ALA 54 7.769 8.935 0.933 489 HB3 ALA 54 HB3 ALA 54 7.999 9.571 -0.695 490 H GLY 55 HN GLY 55 11.032 9.987 -1.379 491 HA2 GLY 55 HA2 GLY 55 12.330 11.831 -0.984 492 HA3 GLY 55 HA1 GLY 55 11.688 11.978 0.639 493 H SER 56 HN SER 56 12.790 11.008 2.388 494 HA SER 56 HA SER 56 14.934 9.091 1.998 495 HB2 SER 56 HB2 SER 56 15.527 11.997 2.721 496 HB3 SER 56 HB3 SER 56 16.534 10.726 3.376 497 HG SER 56 HG SER 56 16.022 11.031 0.631 498 H LYS 57 HN LYS 57 12.393 8.831 3.173 499 HA LYS 57 HA LYS 57 13.242 8.026 5.875 500 HB2 LYS 57 HB2 LYS 57 11.237 8.919 6.919 501 HB3 LYS 57 HB3 LYS 57 12.243 10.188 6.324 502 HG2 LYS 57 HG2 LYS 57 10.680 10.988 4.882 503 HG3 LYS 57 HG3 LYS 57 10.159 9.439 4.326 504 HD2 LYS 57 HD2 LYS 57 9.348 10.604 7.022 505 HD3 LYS 57 HD3 LYS 57 8.415 10.792 5.563 506 HE2 LYS 57 HE2 LYS 57 8.124 8.306 5.391 507 HE3 LYS 57 HE3 LYS 57 9.093 8.079 6.832 508 HZ1 LYS 57 HZ1 LYS 57 6.806 8.027 7.353 509 HZ2 LYS 57 HZ2 LYS 57 6.539 9.519 6.715 510 HZ3 LYS 57 HZ3 LYS 57 7.478 9.351 8.059 511 H VAL 58 HN VAL 58 12.457 6.116 6.528 512 HA VAL 58 HA VAL 58 10.793 4.574 4.588 513 HB VAL 58 HB VAL 58 12.757 3.471 6.653 514 HG11 VAL 58 HG11 VAL 58 11.654 2.219 4.096 515 HG12 VAL 58 HG12 VAL 58 12.838 1.480 5.163 516 HG13 VAL 58 HG13 VAL 58 11.214 1.772 5.734 517 HG21 VAL 58 HG21 VAL 58 14.497 3.223 4.918 518 HG22 VAL 58 HG22 VAL 58 13.563 4.208 3.810 519 HG23 VAL 58 HG23 VAL 58 14.188 4.901 5.298 520 H ILE 59 HN ILE 59 9.149 3.276 5.343 521 HA ILE 59 HA ILE 59 8.617 3.079 8.272 522 HB ILE 59 HB ILE 59 6.625 3.484 5.991 523 HG12 ILE 59 HG12 ILE 59 6.896 5.147 8.521 524 HG13 ILE 59 HG13 ILE 59 7.760 5.541 7.070 525 HG21 ILE 59 HG21 ILE 59 4.795 3.314 7.747 526 HG22 ILE 59 HG22 ILE 59 5.597 1.797 7.463 527 HG23 ILE 59 HG23 ILE 59 5.993 2.745 8.893 528 HD11 ILE 59 HD11 ILE 59 5.996 6.520 6.112 529 HD12 ILE 59 HD12 ILE 59 4.914 5.174 6.421 530 HD13 ILE 59 HD13 ILE 59 5.167 6.393 7.665 531 H GLN 60 HN GLN 60 8.134 1.021 8.943 532 HA GLN 60 HA GLN 60 7.983 -1.178 6.919 533 HB2 GLN 60 HB2 GLN 60 9.197 -1.385 9.721 534 HB3 GLN 60 HB3 GLN 60 9.151 -2.586 8.475 535 HG2 GLN 60 HG2 GLN 60 11.295 -1.934 8.107 536 HG3 GLN 60 HG3 GLN 60 10.560 -0.749 7.066 537 HE21 GLN 60 HE21 GLN 60 11.093 1.420 7.526 538 HE22 GLN 60 HE22 GLN 60 11.852 1.955 9.001 539 H ASN 61 HN ASN 61 6.189 -2.410 7.092 540 HA ASN 61 HA ASN 61 4.713 -2.534 9.652 541 HB2 ASN 61 HB2 ASN 61 3.516 -2.033 6.861 542 HB3 ASN 61 HB3 ASN 61 2.566 -2.590 8.210 543 HD21 ASN 61 HD21 ASN 61 2.873 -1.231 10.356 544 HD22 ASN 61 HD22 ASN 61 2.803 0.492 10.114 545 H GLU 62 HN GLU 62 3.390 -4.398 9.853 546 HA GLU 62 HA GLU 62 3.799 -6.629 8.002 547 HB2 GLU 62 HB2 GLU 62 5.545 -6.880 9.751 548 HB3 GLU 62 HB3 GLU 62 4.350 -6.724 11.005 549 HG2 GLU 62 HG2 GLU 62 3.275 -8.871 10.273 550 HG3 GLU 62 HG3 GLU 62 4.424 -9.012 8.962 551 H PHE 63 HN PHE 63 2.091 -8.080 7.987 552 HA PHE 63 HA PHE 63 -0.146 -7.848 9.825 553 HB2 PHE 63 HB2 PHE 63 -1.813 -7.459 8.054 554 HB3 PHE 63 HB3 PHE 63 -0.770 -6.084 8.240 555 HD1 PHE 63 HD1 PHE 63 0.897 -5.548 6.412 556 HD2 PHE 63 HD2 PHE 63 -1.883 -8.829 6.030 557 HE1 PHE 63 HE1 PHE 63 1.266 -5.605 3.983 558 HE2 PHE 63 HE2 PHE 63 -1.475 -8.863 3.602 559 HZ PHE 63 HZ PHE 63 0.059 -7.233 2.576 560 H THR 64 HN THR 64 -1.651 -9.609 9.596 561 HA THR 64 HA THR 64 -0.618 -11.975 8.106 562 HB THR 64 HB THR 64 -2.775 -12.717 9.873 563 HG1 THR 64 HG1 THR 64 -2.060 -12.073 11.830 564 HG21 THR 64 HG21 THR 64 0.211 -13.219 10.221 565 HG22 THR 64 HG22 THR 64 -0.857 -14.186 9.230 566 HG23 THR 64 HG23 THR 64 -1.096 -14.125 10.967 567 H VAL 65 HN VAL 65 -1.797 -12.740 6.471 568 HA VAL 65 HA VAL 65 -3.917 -11.190 5.375 569 HB VAL 65 HB VAL 65 -2.837 -13.953 4.657 570 HG11 VAL 65 HG11 VAL 65 -4.710 -12.200 3.003 571 HG12 VAL 65 HG12 VAL 65 -3.860 -13.609 2.390 572 HG13 VAL 65 HG13 VAL 65 -5.078 -13.807 3.629 573 HG21 VAL 65 HG21 VAL 65 -2.238 -11.230 3.420 574 HG22 VAL 65 HG22 VAL 65 -1.134 -12.168 4.416 575 HG23 VAL 65 HG23 VAL 65 -1.619 -12.774 2.845 576 H GLY 66 HN GLY 66 -5.949 -11.150 6.108 577 HA2 GLY 66 HA2 GLY 66 -8.093 -12.117 6.334 578 HA3 GLY 66 HA1 GLY 66 -7.417 -13.662 6.783 579 H GLU 67 HN GLU 67 -5.544 -11.650 8.646 580 HA GLU 67 HA GLU 67 -7.426 -11.690 10.955 581 HB2 GLU 67 HB2 GLU 67 -4.404 -11.351 10.826 582 HB3 GLU 67 HB3 GLU 67 -5.358 -11.318 12.282 583 HG2 GLU 67 HG2 GLU 67 -6.134 -13.681 11.828 584 HG3 GLU 67 HG3 GLU 67 -5.123 -13.733 10.405 585 H GLU 68 HN GLU 68 -7.924 -9.859 12.082 586 HA GLU 68 HA GLU 68 -7.699 -7.277 10.787 587 HB2 GLU 68 HB2 GLU 68 -8.832 -8.199 13.464 588 HB3 GLU 68 HB3 GLU 68 -8.851 -6.536 12.940 589 HG2 GLU 68 HG2 GLU 68 -10.203 -7.125 10.950 590 HG3 GLU 68 HG3 GLU 68 -10.151 -8.825 11.368 591 H CYS 69 HN CYS 69 -6.341 -5.649 11.196 592 HA CYS 69 HA CYS 69 -4.567 -5.479 13.459 593 HB2 CYS 69 HB2 CYS 69 -2.455 -5.802 12.156 594 HB3 CYS 69 HB3 CYS 69 -3.376 -7.283 12.246 595 HG CYS 69 HG CYS 69 -3.220 -5.067 9.811 596 H GLU 70 HN GLU 70 -3.091 -3.602 13.251 597 HA GLU 70 HA GLU 70 -4.528 -1.411 11.848 598 HB2 GLU 70 HB2 GLU 70 -4.598 -1.693 14.373 599 HB3 GLU 70 HB3 GLU 70 -2.896 -1.353 14.406 600 HG2 GLU 70 HG2 GLU 70 -3.270 0.915 13.505 601 HG3 GLU 70 HG3 GLU 70 -4.960 0.570 13.223 602 H LEU 71 HN LEU 71 -3.554 -0.570 10.163 603 HA LEU 71 HA LEU 71 -0.646 -0.968 9.724 604 HB2 LEU 71 HB2 LEU 71 -3.024 -0.394 7.870 605 HB3 LEU 71 HB3 LEU 71 -1.378 -0.362 7.329 606 HG LEU 71 HG LEU 71 -2.340 -2.394 6.684 607 HD11 LEU 71 HD11 LEU 71 0.115 -2.275 7.933 608 HD12 LEU 71 HD12 LEU 71 -0.481 -3.628 6.996 609 HD13 LEU 71 HD13 LEU 71 -0.616 -3.648 8.748 610 HD21 LEU 71 HD21 LEU 71 -3.631 -3.861 7.857 611 HD22 LEU 71 HD22 LEU 71 -3.984 -2.434 8.810 612 HD23 LEU 71 HD23 LEU 71 -2.796 -3.587 9.384 613 H GLU 72 HN GLU 72 0.726 0.693 9.422 614 HA GLU 72 HA GLU 72 -0.119 3.416 10.016 615 HB2 GLU 72 HB2 GLU 72 1.961 2.188 10.892 616 HB3 GLU 72 HB3 GLU 72 2.639 2.343 9.301 617 HG2 GLU 72 HG2 GLU 72 2.573 4.807 9.427 618 HG3 GLU 72 HG3 GLU 72 1.789 4.743 10.987 619 H THR 73 HN THR 73 0.369 5.216 8.668 620 HA THR 73 HA THR 73 0.483 4.765 5.710 621 HB THR 73 HB THR 73 -0.835 7.047 7.294 622 HG1 THR 73 HG1 THR 73 -1.952 5.152 7.598 623 HG21 THR 73 HG21 THR 73 -2.084 7.468 5.113 624 HG22 THR 73 HG22 THR 73 -0.970 6.371 4.305 625 HG23 THR 73 HG23 THR 73 -0.393 7.879 5.021 626 H MET 74 HN MET 74 1.450 6.817 4.583 627 HA MET 74 HA MET 74 4.038 7.356 5.440 628 HB2 MET 74 HB2 MET 74 2.305 9.017 3.582 629 HB3 MET 74 HB3 MET 74 4.030 9.175 3.733 630 HG2 MET 74 HG2 MET 74 3.964 7.793 1.896 631 HG3 MET 74 HG3 MET 74 4.072 6.582 3.138 632 HE1 MET 74 HE1 MET 74 1.217 8.816 1.430 633 HE2 MET 74 HE2 MET 74 2.139 7.997 0.157 634 HE3 MET 74 HE3 MET 74 0.452 7.560 0.448 635 H THR 75 HN THR 75 1.110 9.110 6.258 636 HA THR 75 HA THR 75 2.332 11.424 7.484 637 HB THR 75 HB THR 75 -0.075 11.773 8.235 638 HG1 THR 75 HG1 THR 75 -1.604 10.290 7.419 639 HG21 THR 75 HG21 THR 75 0.132 11.074 5.259 640 HG22 THR 75 HG22 THR 75 0.575 12.613 5.988 641 HG23 THR 75 HG23 THR 75 -1.098 12.083 6.013 642 H GLY 76 HN GLY 76 1.953 8.150 8.544 643 HA2 GLY 76 HA2 GLY 76 2.577 7.256 10.580 644 HA3 GLY 76 HA1 GLY 76 2.508 8.817 11.364 645 H GLU 77 HN GLU 77 -0.364 8.541 9.575 646 HA GLU 77 HA GLU 77 -2.124 8.078 11.774 647 HB2 GLU 77 HB2 GLU 77 -2.486 8.066 8.735 648 HB3 GLU 77 HB3 GLU 77 -3.817 7.935 9.832 649 HG2 GLU 77 HG2 GLU 77 -1.919 10.341 9.923 650 HG3 GLU 77 HG3 GLU 77 -3.284 10.265 8.837 651 H LYS 78 HN LYS 78 -2.867 6.179 12.630 652 HA LYS 78 HA LYS 78 -2.149 3.631 11.252 653 HB2 LYS 78 HB2 LYS 78 -2.512 4.061 14.239 654 HB3 LYS 78 HB3 LYS 78 -1.859 2.672 13.410 655 HG2 LYS 78 HG2 LYS 78 -0.033 4.366 12.500 656 HG3 LYS 78 HG3 LYS 78 -0.639 5.433 13.734 657 HD2 LYS 78 HD2 LYS 78 1.197 4.461 14.759 658 HD3 LYS 78 HD3 LYS 78 -0.145 3.584 15.446 659 HE2 LYS 78 HE2 LYS 78 0.272 1.647 13.972 660 HE3 LYS 78 HE3 LYS 78 1.467 2.552 13.061 661 HZ1 LYS 78 HZ1 LYS 78 2.489 1.117 14.624 662 HZ2 LYS 78 HZ2 LYS 78 1.727 1.858 15.888 663 HZ3 LYS 78 HZ3 LYS 78 2.828 2.688 14.977 664 H VAL 79 HN VAL 79 -3.792 2.488 10.474 665 HA VAL 79 HA VAL 79 -6.550 2.869 11.533 666 HB VAL 79 HB VAL 79 -7.196 2.702 9.028 667 HG11 VAL 79 HG11 VAL 79 -7.543 4.744 10.356 668 HG12 VAL 79 HG12 VAL 79 -5.897 5.274 10.012 669 HG13 VAL 79 HG13 VAL 79 -7.073 5.136 8.707 670 HG21 VAL 79 HG21 VAL 79 -4.920 2.120 8.093 671 HG22 VAL 79 HG22 VAL 79 -5.640 3.540 7.350 672 HG23 VAL 79 HG23 VAL 79 -4.359 3.723 8.535 673 H LYS 80 HN LYS 80 -7.713 1.112 11.822 674 HA LYS 80 HA LYS 80 -6.613 -1.499 11.408 675 HB2 LYS 80 HB2 LYS 80 -9.192 -0.436 12.602 676 HB3 LYS 80 HB3 LYS 80 -8.984 -2.140 12.308 677 HG2 LYS 80 HG2 LYS 80 -6.909 -2.208 13.645 678 HG3 LYS 80 HG3 LYS 80 -7.093 -0.513 14.021 679 HD2 LYS 80 HD2 LYS 80 -9.242 -0.965 15.171 680 HD3 LYS 80 HD3 LYS 80 -9.164 -2.651 14.717 681 HE2 LYS 80 HE2 LYS 80 -7.068 -2.929 16.075 682 HE3 LYS 80 HE3 LYS 80 -7.130 -1.232 16.521 683 HZ1 LYS 80 HZ1 LYS 80 -9.188 -3.230 17.142 684 HZ2 LYS 80 HZ2 LYS 80 -9.238 -1.636 17.564 685 HZ3 LYS 80 HZ3 LYS 80 -8.073 -2.618 18.195 686 H THR 81 HN THR 81 -7.172 -3.148 10.121 687 HA THR 81 HA THR 81 -9.482 -3.359 8.543 688 HB THR 81 HB THR 81 -8.366 -1.547 7.151 689 HG1 THR 81 HG1 THR 81 -8.608 -2.556 5.246 690 HG21 THR 81 HG21 THR 81 -6.156 -3.605 6.597 691 HG22 THR 81 HG22 THR 81 -5.959 -2.105 7.504 692 HG23 THR 81 HG23 THR 81 -6.378 -2.065 5.799 693 H VAL 82 HN VAL 82 -9.017 -5.099 6.737 694 HA VAL 82 HA VAL 82 -7.055 -7.183 7.581 695 HB VAL 82 HB VAL 82 -9.816 -7.536 6.277 696 HG11 VAL 82 HG11 VAL 82 -7.704 -9.626 6.936 697 HG12 VAL 82 HG12 VAL 82 -9.389 -10.024 6.606 698 HG13 VAL 82 HG13 VAL 82 -8.416 -9.288 5.359 699 HG21 VAL 82 HG21 VAL 82 -10.466 -8.784 8.321 700 HG22 VAL 82 HG22 VAL 82 -8.932 -8.356 9.065 701 HG23 VAL 82 HG23 VAL 82 -10.110 -7.105 8.664 702 H VAL 83 HN VAL 83 -5.931 -8.102 5.793 703 HA VAL 83 HA VAL 83 -6.411 -6.911 3.083 704 HB VAL 83 HB VAL 83 -3.846 -8.139 4.183 705 HG11 VAL 83 HG11 VAL 83 -3.939 -8.462 1.754 706 HG12 VAL 83 HG12 VAL 83 -4.411 -6.783 1.503 707 HG13 VAL 83 HG13 VAL 83 -2.800 -7.176 2.086 708 HG21 VAL 83 HG21 VAL 83 -2.875 -5.836 4.097 709 HG22 VAL 83 HG22 VAL 83 -4.470 -5.182 3.756 710 HG23 VAL 83 HG23 VAL 83 -4.145 -5.974 5.294 711 H GLN 84 HN GLN 84 -6.774 -8.326 1.437 712 HA GLN 84 HA GLN 84 -6.509 -11.249 1.875 713 HB2 GLN 84 HB2 GLN 84 -8.905 -9.663 0.834 714 HB3 GLN 84 HB3 GLN 84 -8.673 -11.310 0.340 715 HG2 GLN 84 HG2 GLN 84 -8.961 -10.439 3.258 716 HG3 GLN 84 HG3 GLN 84 -10.242 -11.084 2.268 717 HE21 GLN 84 HE21 GLN 84 -7.418 -11.898 4.167 718 HE22 GLN 84 HE22 GLN 84 -7.551 -13.630 3.991 719 H LEU 85 HN LEU 85 -6.277 -12.508 -0.003 720 HA LEU 85 HA LEU 85 -5.013 -11.090 -2.292 721 HB2 LEU 85 HB2 LEU 85 -3.574 -12.465 -0.662 722 HB3 LEU 85 HB3 LEU 85 -4.433 -13.881 -1.159 723 HG LEU 85 HG LEU 85 -2.272 -13.725 -2.165 724 HD11 LEU 85 HD11 LEU 85 -2.747 -14.552 -4.221 725 HD12 LEU 85 HD12 LEU 85 -3.854 -13.254 -4.653 726 HD13 LEU 85 HD13 LEU 85 -4.372 -14.550 -3.571 727 HD21 LEU 85 HD21 LEU 85 -2.287 -11.677 -4.119 728 HD22 LEU 85 HD22 LEU 85 -1.295 -11.803 -2.680 729 HD23 LEU 85 HD23 LEU 85 -2.803 -10.918 -2.623 730 H GLU 86 HN GLU 86 -6.286 -11.203 -4.085 731 HA GLU 86 HA GLU 86 -8.603 -12.964 -4.100 732 HB2 GLU 86 HB2 GLU 86 -9.410 -11.579 -5.881 733 HB3 GLU 86 HB3 GLU 86 -8.852 -10.601 -4.564 734 HG2 GLU 86 HG2 GLU 86 -6.724 -10.123 -5.809 735 HG3 GLU 86 HG3 GLU 86 -7.291 -11.072 -7.167 736 H GLY 87 HN GLY 87 -5.719 -13.977 -4.782 737 HA2 GLY 87 HA2 GLY 87 -5.096 -15.937 -5.771 738 HA3 GLY 87 HA1 GLY 87 -6.641 -16.054 -6.584 739 H ASP 88 HN ASP 88 -5.664 -13.023 -7.469 740 HA ASP 88 HA ASP 88 -4.331 -13.940 -9.971 741 HB2 ASP 88 HB2 ASP 88 -6.035 -11.469 -9.524 742 HB3 ASP 88 HB3 ASP 88 -5.374 -11.989 -11.066 743 H ASN 89 HN ASN 89 -2.728 -13.543 -7.687 744 HA ASN 89 HA ASN 89 -1.068 -12.496 -6.822 745 HB2 ASN 89 HB2 ASN 89 0.616 -11.344 -8.680 746 HB3 ASN 89 HB3 ASN 89 0.496 -12.993 -8.256 747 HD21 ASN 89 HD21 ASN 89 0.155 -10.785 -10.882 748 HD22 ASN 89 HD22 ASN 89 -0.356 -11.966 -12.064 749 H LYS 90 HN LYS 90 -3.263 -11.095 -6.362 750 HA LYS 90 HA LYS 90 -2.452 -8.247 -6.330 751 HB2 LYS 90 HB2 LYS 90 -5.070 -9.533 -7.239 752 HB3 LYS 90 HB3 LYS 90 -5.021 -7.876 -6.699 753 HG2 LYS 90 HG2 LYS 90 -3.601 -7.188 -8.488 754 HG3 LYS 90 HG3 LYS 90 -3.305 -8.818 -9.014 755 HD2 LYS 90 HD2 LYS 90 -5.806 -9.052 -9.495 756 HD3 LYS 90 HD3 LYS 90 -6.018 -7.396 -9.008 757 HE2 LYS 90 HE2 LYS 90 -5.939 -7.471 -11.438 758 HE3 LYS 90 HE3 LYS 90 -4.507 -6.642 -10.862 759 HZ1 LYS 90 HZ1 LYS 90 -3.318 -8.734 -11.111 760 HZ2 LYS 90 HZ2 LYS 90 -3.947 -8.194 -12.531 761 HZ3 LYS 90 HZ3 LYS 90 -4.668 -9.452 -11.725 762 H LEU 91 HN LEU 91 -2.581 -7.406 -4.341 763 HA LEU 91 HA LEU 91 -4.201 -8.728 -2.238 764 HB2 LEU 91 HB2 LEU 91 -2.163 -6.476 -2.133 765 HB3 LEU 91 HB3 LEU 91 -3.084 -6.972 -0.758 766 HG LEU 91 HG LEU 91 -1.268 -8.892 -2.244 767 HD11 LEU 91 HD11 LEU 91 0.507 -7.716 -1.512 768 HD12 LEU 91 HD12 LEU 91 0.087 -8.179 0.125 769 HD13 LEU 91 HD13 LEU 91 -0.479 -6.651 -0.519 770 HD21 LEU 91 HD21 LEU 91 -1.788 -9.256 0.682 771 HD22 LEU 91 HD22 LEU 91 -1.693 -10.442 -0.602 772 HD23 LEU 91 HD23 LEU 91 -3.171 -9.528 -0.352 773 H VAL 92 HN VAL 92 -5.928 -7.666 -1.289 774 HA VAL 92 HA VAL 92 -6.795 -5.013 -2.356 775 HB VAL 92 HB VAL 92 -8.525 -7.487 -1.830 776 HG11 VAL 92 HG11 VAL 92 -9.852 -5.533 -1.167 777 HG12 VAL 92 HG12 VAL 92 -9.406 -4.678 -2.644 778 HG13 VAL 92 HG13 VAL 92 -10.437 -6.102 -2.711 779 HG21 VAL 92 HG21 VAL 92 -9.103 -7.368 -4.255 780 HG22 VAL 92 HG22 VAL 92 -7.908 -6.094 -4.470 781 HG23 VAL 92 HG23 VAL 92 -7.409 -7.716 -3.998 782 H THR 93 HN THR 93 -7.492 -3.623 -0.807 783 HA THR 93 HA THR 93 -8.544 -4.486 1.722 784 HB THR 93 HB THR 93 -6.069 -4.655 2.179 785 HG1 THR 93 HG1 THR 93 -7.341 -4.176 3.892 786 HG21 THR 93 HG21 THR 93 -5.936 -1.612 1.886 787 HG22 THR 93 HG22 THR 93 -5.250 -2.740 0.709 788 HG23 THR 93 HG23 THR 93 -4.640 -2.695 2.357 789 H THR 94 HN THR 94 -9.294 -2.637 3.006 790 HA THR 94 HA THR 94 -9.521 -0.033 1.639 791 HB THR 94 HB THR 94 -11.903 0.140 2.415 792 HG1 THR 94 HG1 THR 94 -11.774 -2.632 2.906 793 HG21 THR 94 HG21 THR 94 -13.001 -1.285 0.744 794 HG22 THR 94 HG22 THR 94 -11.539 -2.241 0.539 795 HG23 THR 94 HG23 THR 94 -11.565 -0.549 0.058 796 H PHE 95 HN PHE 95 -10.653 1.505 3.548 797 HA PHE 95 HA PHE 95 -9.575 0.771 6.204 798 HB2 PHE 95 HB2 PHE 95 -8.720 3.331 4.763 799 HB3 PHE 95 HB3 PHE 95 -8.418 2.964 6.437 800 HD1 PHE 95 HD1 PHE 95 -7.275 2.491 3.017 801 HD2 PHE 95 HD2 PHE 95 -6.906 0.949 7.030 802 HE1 PHE 95 HE1 PHE 95 -5.207 1.330 2.392 803 HE2 PHE 95 HE2 PHE 95 -4.809 -0.163 6.377 804 HZ PHE 95 HZ PHE 95 -3.966 0.017 4.070 805 H LYS 96 HN LYS 96 -11.114 3.433 4.330 806 HA LYS 96 HA LYS 96 -13.329 3.620 6.201 807 HB2 LYS 96 HB2 LYS 96 -10.956 5.145 6.725 808 HB3 LYS 96 HB3 LYS 96 -12.041 6.287 6.018 809 HG2 LYS 96 HG2 LYS 96 -13.790 5.685 7.700 810 HG3 LYS 96 HG3 LYS 96 -12.725 4.499 8.403 811 HD2 LYS 96 HD2 LYS 96 -12.136 7.496 8.279 812 HD3 LYS 96 HD3 LYS 96 -12.830 6.684 9.655 813 HE2 LYS 96 HE2 LYS 96 -10.732 5.261 9.843 814 HE3 LYS 96 HE3 LYS 96 -10.023 6.166 8.516 815 HZ1 LYS 96 HZ1 LYS 96 -9.346 7.025 10.604 816 HZ2 LYS 96 HZ2 LYS 96 -10.902 7.307 11.066 817 HZ3 LYS 96 HZ3 LYS 96 -10.247 8.155 9.813 818 H ASN 97 HN ASN 97 -11.512 5.443 3.705 819 HA ASN 97 HA ASN 97 -13.680 5.086 1.774 820 HB2 ASN 97 HB2 ASN 97 -13.915 7.417 1.221 821 HB3 ASN 97 HB3 ASN 97 -14.280 7.229 2.910 822 HD21 ASN 97 HD21 ASN 97 -13.164 9.505 1.062 823 HD22 ASN 97 HD22 ASN 97 -11.866 10.165 2.021 824 H ILE 98 HN ILE 98 -10.544 4.699 2.497 825 HA ILE 98 HA ILE 98 -9.498 5.218 -0.238 826 HB ILE 98 HB ILE 98 -8.092 4.513 2.373 827 HG12 ILE 98 HG12 ILE 98 -7.910 7.092 0.817 828 HG13 ILE 98 HG13 ILE 98 -8.988 6.900 2.166 829 HG21 ILE 98 HG21 ILE 98 -6.800 3.541 0.461 830 HG22 ILE 98 HG22 ILE 98 -6.853 5.089 -0.373 831 HG23 ILE 98 HG23 ILE 98 -5.944 4.906 1.122 832 HD11 ILE 98 HD11 ILE 98 -5.986 7.097 2.199 833 HD12 ILE 98 HD12 ILE 98 -7.173 7.844 3.257 834 HD13 ILE 98 HD13 ILE 98 -6.758 6.148 3.470 835 H LYS 99 HN LYS 99 -10.262 3.522 -1.428 836 HA LYS 99 HA LYS 99 -9.818 0.729 -0.606 837 HB2 LYS 99 HB2 LYS 99 -11.721 1.282 -2.048 838 HB3 LYS 99 HB3 LYS 99 -10.680 2.054 -3.211 839 HG2 LYS 99 HG2 LYS 99 -9.648 -0.095 -3.814 840 HG3 LYS 99 HG3 LYS 99 -10.448 -0.902 -2.499 841 HD2 LYS 99 HD2 LYS 99 -11.595 -1.458 -4.560 842 HD3 LYS 99 HD3 LYS 99 -12.659 -0.529 -3.551 843 HE2 LYS 99 HE2 LYS 99 -12.886 0.213 -5.872 844 HE3 LYS 99 HE3 LYS 99 -12.213 1.526 -4.933 845 HZ1 LYS 99 HZ1 LYS 99 -10.695 -0.325 -6.639 846 HZ2 LYS 99 HZ2 LYS 99 -10.041 0.901 -5.750 847 HZ3 LYS 99 HZ3 LYS 99 -11.071 1.244 -6.986 848 H SER 100 HN SER 100 -8.068 -0.527 -1.339 849 HA SER 100 HA SER 100 -5.856 0.799 -2.798 850 HB2 SER 100 HB2 SER 100 -5.448 1.309 -0.431 851 HB3 SER 100 HB3 SER 100 -5.710 -0.357 0.023 852 HG SER 100 HG SER 100 -3.857 -0.936 -1.075 853 H VAL 101 HN VAL 101 -5.714 -0.462 -4.520 854 HA VAL 101 HA VAL 101 -5.803 -3.435 -4.204 855 HB VAL 101 HB VAL 101 -6.442 -1.710 -6.644 856 HG11 VAL 101 HG11 VAL 101 -5.501 -3.866 -7.391 857 HG12 VAL 101 HG12 VAL 101 -6.573 -4.744 -6.305 858 HG13 VAL 101 HG13 VAL 101 -7.228 -3.856 -7.674 859 HG21 VAL 101 HG21 VAL 101 -8.782 -2.517 -6.361 860 HG22 VAL 101 HG22 VAL 101 -8.335 -3.263 -4.830 861 HG23 VAL 101 HG23 VAL 101 -8.265 -1.514 -5.022 862 H THR 102 HN THR 102 -3.786 -4.169 -4.154 863 HA THR 102 HA THR 102 -1.594 -2.892 -5.719 864 HB THR 102 HB THR 102 -1.517 -5.049 -3.561 865 HG1 THR 102 HG1 THR 102 -2.169 -3.031 -2.786 866 HG21 THR 102 HG21 THR 102 0.911 -4.487 -3.373 867 HG22 THR 102 HG22 THR 102 0.788 -3.458 -4.799 868 HG23 THR 102 HG23 THR 102 0.552 -5.203 -4.922 869 H GLU 103 HN GLU 103 -0.320 -4.205 -7.098 870 HA GLU 103 HA GLU 103 -1.250 -6.913 -7.827 871 HB2 GLU 103 HB2 GLU 103 -2.431 -5.390 -9.340 872 HB3 GLU 103 HB3 GLU 103 -0.988 -4.483 -9.617 873 HG2 GLU 103 HG2 GLU 103 0.021 -6.481 -10.832 874 HG3 GLU 103 HG3 GLU 103 -1.469 -7.357 -10.563 875 H LEU 104 HN LEU 104 0.300 -8.214 -8.588 876 HA LEU 104 HA LEU 104 3.114 -7.281 -8.860 877 HB2 LEU 104 HB2 LEU 104 2.947 -8.639 -6.848 878 HB3 LEU 104 HB3 LEU 104 1.828 -9.722 -7.595 879 HG LEU 104 HG LEU 104 3.713 -10.545 -9.127 880 HD11 LEU 104 HD11 LEU 104 5.386 -8.810 -8.933 881 HD12 LEU 104 HD12 LEU 104 6.032 -10.227 -8.125 882 HD13 LEU 104 HD13 LEU 104 5.383 -8.903 -7.171 883 HD21 LEU 104 HD21 LEU 104 4.007 -11.067 -6.172 884 HD22 LEU 104 HD22 LEU 104 4.489 -12.115 -7.507 885 HD23 LEU 104 HD23 LEU 104 2.791 -11.802 -7.206 886 H ASN 105 HN ASN 105 4.048 -7.789 -10.758 887 HA ASN 105 HA ASN 105 3.011 -9.931 -12.457 888 HB2 ASN 105 HB2 ASN 105 3.177 -6.980 -13.209 889 HB3 ASN 105 HB3 ASN 105 3.705 -8.119 -14.409 890 HD21 ASN 105 HD21 ASN 105 0.809 -7.904 -12.221 891 HD22 ASN 105 HD22 ASN 105 -0.308 -8.265 -13.511 892 H GLY 106 HN GLY 106 4.890 -10.641 -10.953 893 HA2 GLY 106 HA2 GLY 106 6.970 -11.551 -10.865 894 HA3 GLY 106 HA1 GLY 106 7.220 -11.082 -12.535 895 H ASP 107 HN ASP 107 8.551 -9.316 -12.982 896 HA ASP 107 HA ASP 107 9.961 -8.026 -10.772 897 HB2 ASP 107 HB2 ASP 107 11.399 -7.037 -12.498 898 HB3 ASP 107 HB3 ASP 107 11.395 -8.782 -12.527 899 H ILE 108 HN ILE 108 7.084 -7.338 -12.446 900 HA ILE 108 HA ILE 108 7.387 -4.381 -12.097 901 HB ILE 108 HB ILE 108 5.234 -5.979 -13.557 902 HG12 ILE 108 HG12 ILE 108 7.204 -6.409 -14.804 903 HG13 ILE 108 HG13 ILE 108 6.234 -5.291 -15.691 904 HG21 ILE 108 HG21 ILE 108 4.339 -3.792 -12.950 905 HG22 ILE 108 HG22 ILE 108 5.774 -2.976 -13.560 906 HG23 ILE 108 HG23 ILE 108 4.671 -3.794 -14.662 907 HD11 ILE 108 HD11 ILE 108 7.970 -3.561 -14.276 908 HD12 ILE 108 HD12 ILE 108 8.972 -4.967 -14.621 909 HD13 ILE 108 HD13 ILE 108 8.190 -4.101 -15.934 910 H ILE 109 HN ILE 109 5.903 -3.270 -10.836 911 HA ILE 109 HA ILE 109 3.787 -4.755 -9.368 912 HB ILE 109 HB ILE 109 5.800 -2.744 -8.296 913 HG12 ILE 109 HG12 ILE 109 6.620 -4.964 -8.228 914 HG13 ILE 109 HG13 ILE 109 6.425 -4.336 -6.624 915 HG21 ILE 109 HG21 ILE 109 4.620 -2.793 -6.070 916 HG22 ILE 109 HG22 ILE 109 3.731 -1.938 -7.304 917 HG23 ILE 109 HG23 ILE 109 3.244 -3.566 -6.846 918 HD11 ILE 109 HD11 ILE 109 5.547 -6.475 -6.313 919 HD12 ILE 109 HD12 ILE 109 4.048 -5.723 -6.844 920 HD13 ILE 109 HD13 ILE 109 5.048 -6.616 -7.984 921 H THR 110 HN THR 110 1.893 -3.620 -9.170 922 HA THR 110 HA THR 110 1.817 -0.745 -9.943 923 HB THR 110 HB THR 110 -0.402 -2.749 -10.603 924 HG1 THR 110 HG1 THR 110 0.365 -3.002 -12.479 925 HG21 THR 110 HG21 THR 110 -1.286 -0.912 -12.048 926 HG22 THR 110 HG22 THR 110 -0.059 0.174 -11.403 927 HG23 THR 110 HG23 THR 110 -1.316 -0.477 -10.353 928 H ASN 111 HN ASN 111 0.408 0.475 -8.653 929 HA ASN 111 HA ASN 111 -1.295 -0.862 -6.631 930 HB2 ASN 111 HB2 ASN 111 1.031 -0.263 -5.637 931 HB3 ASN 111 HB3 ASN 111 0.627 1.411 -5.884 932 HD21 ASN 111 HD21 ASN 111 0.911 -0.696 -3.489 933 HD22 ASN 111 HD22 ASN 111 -0.428 -0.261 -2.465 934 H THR 112 HN THR 112 -3.240 -0.160 -7.021 935 HA THR 112 HA THR 112 -3.663 2.640 -7.974 936 HB THR 112 HB THR 112 -5.215 0.111 -8.722 937 HG1 THR 112 HG1 THR 112 -3.295 0.406 -9.834 938 HG21 THR 112 HG21 THR 112 -6.520 1.625 -10.252 939 HG22 THR 112 HG22 THR 112 -5.743 3.027 -9.525 940 HG23 THR 112 HG23 THR 112 -6.828 2.023 -8.573 941 H MET 113 HN MET 113 -4.179 3.616 -6.088 942 HA MET 113 HA MET 113 -6.202 2.402 -4.293 943 HB2 MET 113 HB2 MET 113 -4.578 4.953 -3.924 944 HB3 MET 113 HB3 MET 113 -5.637 4.232 -2.747 945 HG2 MET 113 HG2 MET 113 -3.970 2.121 -3.098 946 HG3 MET 113 HG3 MET 113 -2.880 3.375 -3.620 947 HE1 MET 113 HE1 MET 113 -3.940 5.841 -1.623 948 HE2 MET 113 HE2 MET 113 -2.736 5.645 -0.343 949 HE3 MET 113 HE3 MET 113 -2.247 5.521 -2.037 950 H THR 114 HN THR 114 -8.051 3.641 -3.686 951 HA THR 114 HA THR 114 -8.788 5.924 -5.415 952 HB THR 114 HB THR 114 -10.611 3.535 -4.872 953 HG1 THR 114 HG1 THR 114 -9.616 4.547 -7.300 954 HG21 THR 114 HG21 THR 114 -12.011 5.574 -4.853 955 HG22 THR 114 HG22 THR 114 -12.246 4.740 -6.374 956 HG23 THR 114 HG23 THR 114 -11.225 6.173 -6.306 957 H LEU 115 HN LEU 115 -8.520 7.406 -3.801 958 HA LEU 115 HA LEU 115 -9.990 7.158 -1.243 959 HB2 LEU 115 HB2 LEU 115 -7.694 8.044 -1.272 960 HB3 LEU 115 HB3 LEU 115 -8.145 9.367 -2.290 961 HG LEU 115 HG LEU 115 -9.479 8.863 0.408 962 HD11 LEU 115 HD11 LEU 115 -7.272 10.899 0.248 963 HD12 LEU 115 HD12 LEU 115 -6.837 9.214 0.463 964 HD13 LEU 115 HD13 LEU 115 -7.885 9.989 1.626 965 HD21 LEU 115 HD21 LEU 115 -9.544 11.574 0.196 966 HD22 LEU 115 HD22 LEU 115 -10.823 10.547 -0.414 967 HD23 LEU 115 HD23 LEU 115 -9.589 11.178 -1.506 968 H GLY 116 HN GLY 116 -12.139 7.163 -1.891 969 HA2 GLY 116 HA2 GLY 116 -14.158 8.012 -2.501 970 HA3 GLY 116 HA1 GLY 116 -13.466 9.607 -2.275 971 H ASP 117 HN ASP 117 -13.201 10.872 -4.058 972 HA ASP 117 HA ASP 117 -13.719 9.837 -6.757 973 HB2 ASP 117 HB2 ASP 117 -14.027 12.501 -5.398 974 HB3 ASP 117 HB3 ASP 117 -13.618 12.602 -7.065 975 H ILE 118 HN ILE 118 -10.897 10.219 -5.016 976 HA ILE 118 HA ILE 118 -9.302 11.128 -7.383 977 HB ILE 118 HB ILE 118 -8.441 10.623 -4.496 978 HG12 ILE 118 HG12 ILE 118 -8.899 13.335 -5.793 979 HG13 ILE 118 HG13 ILE 118 -10.046 12.589 -4.720 980 HG21 ILE 118 HG21 ILE 118 -6.915 11.948 -6.794 981 HG22 ILE 118 HG22 ILE 118 -6.364 11.887 -5.129 982 HG23 ILE 118 HG23 ILE 118 -6.514 10.409 -6.037 983 HD11 ILE 118 HD11 ILE 118 -8.945 13.861 -3.163 984 HD12 ILE 118 HD12 ILE 118 -7.921 12.435 -3.054 985 HD13 ILE 118 HD13 ILE 118 -7.413 13.815 -4.027 986 H VAL 119 HN VAL 119 -7.952 9.627 -8.415 987 HA VAL 119 HA VAL 119 -7.773 6.877 -7.253 988 HB VAL 119 HB VAL 119 -7.992 7.612 -10.197 989 HG11 VAL 119 HG11 VAL 119 -8.110 5.127 -10.568 990 HG12 VAL 119 HG12 VAL 119 -6.542 5.603 -9.958 991 HG13 VAL 119 HG13 VAL 119 -7.715 4.864 -8.875 992 HG21 VAL 119 HG21 VAL 119 -10.148 6.369 -10.141 993 HG22 VAL 119 HG22 VAL 119 -10.009 6.208 -8.394 994 HG23 VAL 119 HG23 VAL 119 -10.200 7.797 -9.127 995 H PHE 120 HN PHE 120 -5.832 7.350 -6.206 996 HA PHE 120 HA PHE 120 -3.497 8.326 -7.576 997 HB2 PHE 120 HB2 PHE 120 -3.688 8.653 -5.223 998 HB3 PHE 120 HB3 PHE 120 -3.920 6.963 -4.892 999 HD1 PHE 120 HD1 PHE 120 -1.457 9.425 -6.288 1000 HD2 PHE 120 HD2 PHE 120 -1.977 5.532 -4.509 1001 HE1 PHE 120 HE1 PHE 120 0.980 9.128 -6.179 1002 HE2 PHE 120 HE2 PHE 120 0.471 5.296 -4.358 1003 HZ PHE 120 HZ PHE 120 1.946 7.098 -5.182 1004 H LYS 121 HN LYS 121 -1.816 7.264 -8.495 1005 HA LYS 121 HA LYS 121 -1.870 4.317 -8.729 1006 HB2 LYS 121 HB2 LYS 121 -2.130 6.389 -10.870 1007 HB3 LYS 121 HB3 LYS 121 -1.017 5.101 -11.228 1008 HG2 LYS 121 HG2 LYS 121 -2.650 3.403 -11.082 1009 HG3 LYS 121 HG3 LYS 121 -3.803 4.417 -10.255 1010 HD2 LYS 121 HD2 LYS 121 -4.320 5.692 -12.181 1011 HD3 LYS 121 HD3 LYS 121 -2.892 5.208 -13.045 1012 HE2 LYS 121 HE2 LYS 121 -5.137 3.242 -12.325 1013 HE3 LYS 121 HE3 LYS 121 -5.104 4.162 -13.821 1014 HZ1 LYS 121 HZ1 LYS 121 -4.154 2.030 -14.133 1015 HZ2 LYS 121 HZ2 LYS 121 -3.018 2.298 -12.971 1016 HZ3 LYS 121 HZ3 LYS 121 -3.004 3.190 -14.359 1017 H ARG 122 HN ARG 122 0.131 3.348 -8.986 1018 HA ARG 122 HA ARG 122 2.598 4.901 -8.989 1019 HB2 ARG 122 HB2 ARG 122 1.836 5.061 -6.651 1020 HB3 ARG 122 HB3 ARG 122 1.684 3.336 -6.531 1021 HG2 ARG 122 HG2 ARG 122 4.226 3.131 -6.791 1022 HG3 ARG 122 HG3 ARG 122 4.241 4.859 -7.046 1023 HD2 ARG 122 HD2 ARG 122 3.673 5.429 -4.912 1024 HD3 ARG 122 HD3 ARG 122 3.024 3.881 -4.430 1025 HE ARG 122 HE ARG 122 5.778 3.563 -5.040 1026 HH11 ARG 122 HH11 ARG 122 3.874 5.498 -2.733 1027 HH12 ARG 122 HH12 ARG 122 5.186 5.651 -1.594 1028 HH21 ARG 122 HH21 ARG 122 7.486 3.797 -3.533 1029 HH22 ARG 122 HH22 ARG 122 7.254 4.704 -2.067 1030 H ILE 123 HN ILE 123 3.640 3.833 -10.529 1031 HA ILE 123 HA ILE 123 3.536 0.862 -10.711 1032 HB ILE 123 HB ILE 123 4.558 2.951 -12.705 1033 HG12 ILE 123 HG12 ILE 123 2.583 1.877 -14.098 1034 HG13 ILE 123 HG13 ILE 123 1.944 1.403 -12.557 1035 HG21 ILE 123 HG21 ILE 123 5.831 0.851 -12.991 1036 HG22 ILE 123 HG22 ILE 123 4.336 -0.080 -13.018 1037 HG23 ILE 123 HG23 ILE 123 4.718 1.045 -14.317 1038 HD11 ILE 123 HD11 ILE 123 2.716 4.328 -12.917 1039 HD12 ILE 123 HD12 ILE 123 1.295 3.737 -13.767 1040 HD13 ILE 123 HD13 ILE 123 1.370 3.637 -12.015 1041 H SER 124 HN SER 124 5.371 -0.292 -10.313 1042 HA SER 124 HA SER 124 7.961 1.074 -9.822 1043 HB2 SER 124 HB2 SER 124 6.398 -0.737 -7.893 1044 HB3 SER 124 HB3 SER 124 8.115 -0.429 -7.720 1045 HG SER 124 HG SER 124 6.039 1.485 -7.714 1046 H LYS 125 HN LYS 125 9.802 -0.452 -9.835 1047 HA LYS 125 HA LYS 125 9.312 -3.042 -11.133 1048 HB2 LYS 125 HB2 LYS 125 9.438 -1.346 -12.941 1049 HB3 LYS 125 HB3 LYS 125 11.040 -0.874 -12.441 1050 HG2 LYS 125 HG2 LYS 125 10.404 -3.758 -13.161 1051 HG3 LYS 125 HG3 LYS 125 10.580 -2.596 -14.434 1052 HD2 LYS 125 HD2 LYS 125 12.863 -2.254 -14.053 1053 HD3 LYS 125 HD3 LYS 125 12.828 -2.795 -12.409 1054 HE2 LYS 125 HE2 LYS 125 12.326 -5.155 -13.270 1055 HE3 LYS 125 HE3 LYS 125 12.525 -4.557 -14.909 1056 HZ1 LYS 125 HZ1 LYS 125 14.504 -5.547 -14.054 1057 HZ2 LYS 125 HZ2 LYS 125 14.543 -4.502 -12.775 1058 HZ3 LYS 125 HZ3 LYS 125 14.771 -3.939 -14.313 1059 H ARG 126 HN ARG 126 10.886 -4.541 -10.860 1060 HA ARG 126 HA ARG 126 12.107 -4.478 -8.394 1061 HB2 ARG 126 HB2 ARG 126 11.132 -6.404 -9.464 1062 HB3 ARG 126 HB3 ARG 126 12.400 -6.490 -10.643 1063 HG2 ARG 126 HG2 ARG 126 13.907 -7.411 -9.200 1064 HG3 ARG 126 HG3 ARG 126 13.347 -6.593 -7.784 1065 HD2 ARG 126 HD2 ARG 126 12.694 -8.828 -7.314 1066 HD3 ARG 126 HD3 ARG 126 11.250 -8.038 -7.849 1067 HE ARG 126 HE ARG 126 11.022 -9.278 -9.654 1068 HH11 ARG 126 HH11 ARG 126 14.389 -9.683 -8.576 1069 HH12 ARG 126 HH12 ARG 126 14.728 -10.958 -9.715 1070 HH21 ARG 126 HH21 ARG 126 11.483 -10.950 -11.129 1071 HH22 ARG 126 HH22 ARG 126 13.064 -11.680 -11.173 1072 H ILE 127 HN ILE 127 14.098 -4.306 -7.572 1073 HA ILE 127 HA ILE 127 16.272 -3.231 -9.259 1074 HB ILE 127 HB ILE 127 16.420 -3.493 -6.237 1075 HG12 ILE 127 HG12 ILE 127 14.991 -1.241 -7.658 1076 HG13 ILE 127 HG13 ILE 127 14.266 -2.381 -6.573 1077 HG21 ILE 127 HG21 ILE 127 18.466 -2.834 -7.564 1078 HG22 ILE 127 HG22 ILE 127 17.597 -1.431 -8.173 1079 HG23 ILE 127 HG23 ILE 127 17.976 -1.573 -6.463 1080 HD11 ILE 127 HD11 ILE 127 15.786 0.061 -5.917 1081 HD12 ILE 127 HD12 ILE 127 14.606 -0.835 -4.965 1082 HD13 ILE 127 HD13 ILE 127 16.291 -1.321 -4.962 Start of MODEL 7 1 H1 HIS -7 HN HIS -7 9.816 -27.733 -9.231 2 HA HIS -7 HA HIS -7 9.513 -28.617 -11.504 3 HB2 HIS -7 HB2 HIS -7 10.797 -31.044 -10.269 4 HB3 HIS -7 HB3 HIS -7 9.693 -31.177 -11.602 5 HD1 HIS -7 HD1 HIS -7 12.429 -28.459 -11.417 6 HD2 HIS -7 HD2 HIS -7 11.447 -31.948 -13.581 7 HE1 HIS -7 HE1 HIS -7 14.038 -28.684 -13.335 8 H HIS -6 HN HIS -6 9.245 -30.162 -8.185 9 HA HIS -6 HA HIS -6 6.537 -31.100 -8.491 10 HB2 HIS -6 HB2 HIS -6 8.500 -30.901 -6.167 11 HB3 HIS -6 HB3 HIS -6 6.852 -31.409 -5.918 12 HD1 HIS -6 HD1 HIS -6 6.165 -33.764 -6.549 13 HD2 HIS -6 HD2 HIS -6 10.079 -32.842 -7.828 14 HE1 HIS -6 HE1 HIS -6 7.261 -35.895 -7.370 15 H HIS -5 HN HIS -5 4.673 -30.385 -7.524 16 HA HIS -5 HA HIS -5 4.503 -27.879 -6.106 17 HB2 HIS -5 HB2 HIS -5 3.102 -26.718 -7.815 18 HB3 HIS -5 HB3 HIS -5 4.763 -26.870 -8.285 19 HD1 HIS -5 HD1 HIS -5 5.303 -28.813 -10.170 20 HD2 HIS -5 HD2 HIS -5 1.249 -27.719 -9.715 21 HE1 HIS -5 HE1 HIS -5 4.031 -29.605 -12.200 22 H HIS -4 HN HIS -4 2.613 -30.142 -8.162 23 HA HIS -4 HA HIS -4 0.838 -31.385 -7.883 24 HB2 HIS -4 HB2 HIS -4 1.125 -31.024 -4.859 25 HB3 HIS -4 HB3 HIS -4 0.165 -32.234 -5.657 26 HD1 HIS -4 HD1 HIS -4 1.434 -34.212 -6.888 27 HD2 HIS -4 HD2 HIS -4 3.962 -31.615 -4.729 28 HE1 HIS -4 HE1 HIS -4 3.699 -35.318 -6.651 29 H HIS -3 HN HIS -3 0.766 -28.201 -6.730 30 HA HIS -3 HA HIS -3 -1.881 -27.658 -7.647 31 HB2 HIS -3 HB2 HIS -3 -2.693 -26.715 -5.458 32 HB3 HIS -3 HB3 HIS -3 -2.559 -28.443 -5.421 33 HD1 HIS -3 HD1 HIS -3 -1.092 -29.483 -3.605 34 HD2 HIS -3 HD2 HIS -3 -0.561 -25.311 -3.869 35 HE1 HIS -3 HE1 HIS -3 0.314 -28.730 -1.640 36 H HIS -2 HN HIS -2 -2.215 -25.272 -7.649 37 HA HIS -2 HA HIS -2 0.289 -23.759 -7.853 38 HB2 HIS -2 HB2 HIS -2 -1.169 -21.913 -8.564 39 HB3 HIS -2 HB3 HIS -2 -1.395 -23.337 -9.528 40 HD1 HIS -2 HD1 HIS -2 -3.771 -24.192 -9.793 41 HD2 HIS -2 HD2 HIS -2 -3.452 -21.388 -6.655 42 HE1 HIS -2 HE1 HIS -2 -6.099 -23.626 -8.988 43 H VAL -1 HN VAL -1 0.912 -22.083 -6.530 44 HA VAL -1 HA VAL -1 -0.419 -21.810 -3.865 45 HB VAL -1 HB VAL -1 1.827 -21.423 -2.955 46 HG11 VAL -1 HG11 VAL -1 1.710 -24.098 -4.392 47 HG12 VAL -1 HG12 VAL -1 2.694 -23.702 -2.989 48 HG13 VAL -1 HG13 VAL -1 0.945 -23.699 -2.855 49 HG21 VAL -1 HG21 VAL -1 3.085 -20.510 -4.866 50 HG22 VAL -1 HG22 VAL -1 3.903 -21.918 -4.229 51 HG23 VAL -1 HG23 VAL -1 2.974 -22.049 -5.715 52 H ALA 0 HN ALA 0 -0.494 -20.249 -6.581 53 HA ALA 0 HA ALA 0 -0.657 -18.205 -7.382 54 HB1 ALA 0 HB1 ALA 0 -1.781 -17.572 -5.184 55 HB2 ALA 0 HB2 ALA 0 -0.221 -17.004 -4.591 56 HB3 ALA 0 HB3 ALA 0 -0.969 -16.235 -5.979 57 H MET 1 HN MET 1 0.710 -15.936 -7.499 58 HA MET 1 HA MET 1 3.498 -16.734 -7.910 59 HB2 MET 1 HB2 MET 1 2.039 -14.116 -8.370 60 HB3 MET 1 HB3 MET 1 3.751 -14.297 -8.597 61 HG2 MET 1 HG2 MET 1 2.938 -16.389 -10.128 62 HG3 MET 1 HG3 MET 1 1.516 -15.396 -10.276 63 HE1 MET 1 HE1 MET 1 1.502 -13.045 -11.685 64 HE2 MET 1 HE2 MET 1 2.461 -12.435 -10.319 65 HE3 MET 1 HE3 MET 1 2.983 -12.140 -11.984 66 H SER 2 HN SER 2 5.296 -15.781 -7.019 67 HA SER 2 HA SER 2 5.101 -15.469 -4.127 68 HB2 SER 2 HB2 SER 2 7.412 -15.879 -6.104 69 HB3 SER 2 HB3 SER 2 7.615 -15.772 -4.363 70 HG SER 2 HG SER 2 7.390 -17.922 -5.083 71 H PHE 3 HN PHE 3 4.702 -13.500 -3.383 72 HA PHE 3 HA PHE 3 5.112 -11.062 -4.731 73 HB2 PHE 3 HB2 PHE 3 4.285 -11.913 -1.953 74 HB3 PHE 3 HB3 PHE 3 4.519 -10.240 -2.275 75 HD1 PHE 3 HD1 PHE 3 2.467 -13.191 -3.221 76 HD2 PHE 3 HD2 PHE 3 3.004 -8.926 -3.640 77 HE1 PHE 3 HE1 PHE 3 0.202 -12.976 -4.149 78 HE2 PHE 3 HE2 PHE 3 0.716 -8.749 -4.541 79 HZ PHE 3 HZ PHE 3 -0.691 -10.758 -4.731 80 H SER 4 HN SER 4 7.372 -12.711 -2.618 81 HA SER 4 HA SER 4 8.560 -10.523 -1.397 82 HB2 SER 4 HB2 SER 4 9.491 -13.375 -1.964 83 HB3 SER 4 HB3 SER 4 10.487 -12.255 -1.050 84 HG SER 4 HG SER 4 9.097 -13.466 0.288 85 H GLY 5 HN GLY 5 10.438 -9.369 -1.600 86 HA2 GLY 5 HA2 GLY 5 12.679 -9.305 -2.782 87 HA3 GLY 5 HA1 GLY 5 11.773 -9.237 -4.287 88 H LYS 6 HN LYS 6 13.485 -7.205 -3.772 89 HA LYS 6 HA LYS 6 11.945 -4.865 -2.859 90 HB2 LYS 6 HB2 LYS 6 14.870 -5.357 -3.547 91 HB3 LYS 6 HB3 LYS 6 14.205 -3.772 -3.733 92 HG2 LYS 6 HG2 LYS 6 13.279 -4.106 -1.258 93 HG3 LYS 6 HG3 LYS 6 14.614 -5.215 -1.156 94 HD2 LYS 6 HD2 LYS 6 14.749 -2.268 -1.979 95 HD3 LYS 6 HD3 LYS 6 15.190 -2.900 -0.422 96 HE2 LYS 6 HE2 LYS 6 17.093 -4.155 -1.392 97 HE3 LYS 6 HE3 LYS 6 16.632 -3.682 -3.014 98 HZ1 LYS 6 HZ1 LYS 6 18.354 -2.307 -2.181 99 HZ2 LYS 6 HZ2 LYS 6 17.443 -1.839 -0.890 100 HZ3 LYS 6 HZ3 LYS 6 16.996 -1.402 -2.416 101 H TYR 7 HN TYR 7 11.603 -3.052 -4.097 102 HA TYR 7 HA TYR 7 11.900 -3.147 -7.017 103 HB2 TYR 7 HB2 TYR 7 9.211 -2.425 -5.748 104 HB3 TYR 7 HB3 TYR 7 9.560 -2.620 -7.430 105 HD1 TYR 7 HD1 TYR 7 8.871 -4.321 -4.217 106 HD2 TYR 7 HD2 TYR 7 9.555 -4.901 -8.440 107 HE1 TYR 7 HE1 TYR 7 8.070 -6.652 -4.032 108 HE2 TYR 7 HE2 TYR 7 8.755 -7.235 -8.250 109 HH TYR 7 HH TYR 7 7.640 -8.637 -5.135 110 H GLN 8 HN GLN 8 12.439 -1.068 -7.770 111 HA GLN 8 HA GLN 8 12.542 1.158 -5.815 112 HB2 GLN 8 HB2 GLN 8 13.866 2.287 -7.447 113 HB3 GLN 8 HB3 GLN 8 14.484 0.689 -7.274 114 HG2 GLN 8 HG2 GLN 8 12.709 0.375 -9.443 115 HG3 GLN 8 HG3 GLN 8 13.197 2.029 -9.630 116 HE21 GLN 8 HE21 GLN 8 14.060 -1.305 -10.031 117 HE22 GLN 8 HE22 GLN 8 15.675 -1.052 -10.640 118 H LEU 9 HN LEU 9 11.458 3.209 -6.283 119 HA LEU 9 HA LEU 9 8.872 2.944 -7.565 120 HB2 LEU 9 HB2 LEU 9 9.823 4.494 -5.543 121 HB3 LEU 9 HB3 LEU 9 10.017 5.639 -6.830 122 HG LEU 9 HG LEU 9 7.497 4.220 -5.897 123 HD11 LEU 9 HD11 LEU 9 7.970 7.222 -5.926 124 HD12 LEU 9 HD12 LEU 9 8.455 6.219 -4.564 125 HD13 LEU 9 HD13 LEU 9 6.762 6.313 -5.025 126 HD21 LEU 9 HD21 LEU 9 6.849 4.391 -8.103 127 HD22 LEU 9 HD22 LEU 9 7.864 5.802 -8.436 128 HD23 LEU 9 HD23 LEU 9 6.369 5.970 -7.542 129 H GLN 10 HN GLN 10 8.347 3.421 -9.652 130 HA GLN 10 HA GLN 10 10.435 4.557 -11.454 131 HB2 GLN 10 HB2 GLN 10 8.005 2.787 -12.004 132 HB3 GLN 10 HB3 GLN 10 8.938 3.534 -13.250 133 HG2 GLN 10 HG2 GLN 10 10.042 1.535 -11.211 134 HG3 GLN 10 HG3 GLN 10 9.541 1.150 -12.839 135 HE21 GLN 10 HE21 GLN 10 12.229 0.871 -11.541 136 HE22 GLN 10 HE22 GLN 10 13.321 1.732 -12.594 137 H SER 11 HN SER 11 6.840 4.578 -11.053 138 HA SER 11 HA SER 11 6.742 7.440 -11.863 139 HB2 SER 11 HB2 SER 11 5.421 5.033 -13.260 140 HB3 SER 11 HB3 SER 11 4.885 6.681 -13.501 141 HG SER 11 HG SER 11 6.866 7.222 -14.336 142 H GLN 12 HN GLN 12 4.764 8.485 -11.404 143 HA GLN 12 HA GLN 12 2.738 7.038 -9.816 144 HB2 GLN 12 HB2 GLN 12 3.746 9.820 -9.026 145 HB3 GLN 12 HB3 GLN 12 2.532 8.835 -8.256 146 HG2 GLN 12 HG2 GLN 12 4.137 8.337 -6.771 147 HG3 GLN 12 HG3 GLN 12 4.575 7.123 -7.919 148 HE21 GLN 12 HE21 GLN 12 5.355 10.305 -6.521 149 HE22 GLN 12 HE22 GLN 12 6.975 10.425 -7.147 150 H GLU 13 HN GLU 13 0.663 7.844 -10.091 151 HA GLU 13 HA GLU 13 0.197 10.015 -12.092 152 HB2 GLU 13 HB2 GLU 13 -1.347 7.394 -11.836 153 HB3 GLU 13 HB3 GLU 13 -1.643 8.664 -12.981 154 HG2 GLU 13 HG2 GLU 13 0.493 8.211 -14.149 155 HG3 GLU 13 HG3 GLU 13 0.942 7.016 -12.950 156 H ASN 14 HN ASN 14 -1.434 11.407 -11.502 157 HA ASN 14 HA ASN 14 -2.582 12.641 -10.175 158 HB2 ASN 14 HB2 ASN 14 -3.905 9.951 -9.674 159 HB3 ASN 14 HB3 ASN 14 -4.372 11.203 -8.579 160 HD21 ASN 14 HD21 ASN 14 -5.909 9.822 -10.733 161 HD22 ASN 14 HD22 ASN 14 -6.662 11.156 -11.575 162 H PHE 15 HN PHE 15 0.038 11.781 -9.207 163 HA PHE 15 HA PHE 15 0.095 11.146 -6.495 164 HB2 PHE 15 HB2 PHE 15 2.020 10.922 -7.955 165 HB3 PHE 15 HB3 PHE 15 2.150 12.634 -8.181 166 HD1 PHE 15 HD1 PHE 15 2.696 9.836 -5.780 167 HD2 PHE 15 HD2 PHE 15 3.007 14.099 -6.337 168 HE1 PHE 15 HE1 PHE 15 4.037 10.020 -3.737 169 HE2 PHE 15 HE2 PHE 15 4.331 14.246 -4.268 170 HZ PHE 15 HZ PHE 15 4.858 12.215 -2.984 171 H GLU 16 HN GLU 16 0.661 14.468 -7.833 172 HA GLU 16 HA GLU 16 0.565 15.676 -5.282 173 HB2 GLU 16 HB2 GLU 16 0.152 16.915 -8.029 174 HB3 GLU 16 HB3 GLU 16 0.390 17.805 -6.551 175 HG2 GLU 16 HG2 GLU 16 2.645 16.535 -6.290 176 HG3 GLU 16 HG3 GLU 16 2.403 15.931 -7.910 177 H ALA 17 HN ALA 17 -2.054 15.107 -7.664 178 HA ALA 17 HA ALA 17 -4.092 16.611 -6.423 179 HB1 ALA 17 HB1 ALA 17 -4.257 14.038 -8.080 180 HB2 ALA 17 HB2 ALA 17 -5.617 15.093 -7.710 181 HB3 ALA 17 HB3 ALA 17 -4.294 15.684 -8.704 182 H PHE 18 HN PHE 18 -3.065 13.207 -5.883 183 HA PHE 18 HA PHE 18 -4.978 12.694 -3.810 184 HB2 PHE 18 HB2 PHE 18 -4.192 10.890 -5.185 185 HB3 PHE 18 HB3 PHE 18 -2.522 11.215 -4.828 186 HD1 PHE 18 HD1 PHE 18 -1.451 10.335 -2.852 187 HD2 PHE 18 HD2 PHE 18 -5.722 9.960 -3.332 188 HE1 PHE 18 HE1 PHE 18 -1.572 8.880 -0.859 189 HE2 PHE 18 HE2 PHE 18 -5.801 8.511 -1.349 190 HZ PHE 18 HZ PHE 18 -3.740 7.998 -0.104 191 H MET 19 HN MET 19 -1.525 13.647 -3.731 192 HA MET 19 HA MET 19 -1.251 13.365 -0.922 193 HB2 MET 19 HB2 MET 19 0.405 15.019 -2.844 194 HB3 MET 19 HB3 MET 19 0.819 14.605 -1.197 195 HG2 MET 19 HG2 MET 19 0.256 12.260 -2.992 196 HG3 MET 19 HG3 MET 19 1.674 13.204 -3.319 197 HE1 MET 19 HE1 MET 19 -0.358 11.299 -0.689 198 HE2 MET 19 HE2 MET 19 0.533 10.051 -1.576 199 HE3 MET 19 HE3 MET 19 0.866 10.342 0.138 200 H LYS 20 HN LYS 20 -2.181 16.207 -2.938 201 HA LYS 20 HA LYS 20 -2.493 18.017 -0.731 202 HB2 LYS 20 HB2 LYS 20 -3.512 17.995 -3.616 203 HB3 LYS 20 HB3 LYS 20 -4.177 19.076 -2.457 204 HG2 LYS 20 HG2 LYS 20 -2.694 20.534 -3.105 205 HG3 LYS 20 HG3 LYS 20 -1.660 19.774 -1.942 206 HD2 LYS 20 HD2 LYS 20 -0.553 18.468 -3.733 207 HD3 LYS 20 HD3 LYS 20 -1.705 19.053 -4.914 208 HE2 LYS 20 HE2 LYS 20 -0.885 21.408 -4.524 209 HE3 LYS 20 HE3 LYS 20 0.321 20.797 -3.414 210 HZ1 LYS 20 HZ1 LYS 20 0.092 20.103 -6.260 211 HZ2 LYS 20 HZ2 LYS 20 1.243 19.517 -5.245 212 HZ3 LYS 20 HZ3 LYS 20 1.197 21.120 -5.592 213 H ALA 21 HN ALA 21 -4.702 15.634 -2.290 214 HA ALA 21 HA ALA 21 -7.039 16.500 -0.917 215 HB1 ALA 21 HB1 ALA 21 -8.023 14.377 -1.821 216 HB2 ALA 21 HB2 ALA 21 -7.205 15.327 -3.046 217 HB3 ALA 21 HB3 ALA 21 -6.428 13.890 -2.379 218 H ILE 22 HN ILE 22 -4.512 14.174 0.072 219 HA ILE 22 HA ILE 22 -6.096 13.323 2.406 220 HB ILE 22 HB ILE 22 -4.162 12.051 3.086 221 HG12 ILE 22 HG12 ILE 22 -2.706 12.889 0.582 222 HG13 ILE 22 HG13 ILE 22 -2.327 13.538 2.147 223 HG21 ILE 22 HG21 ILE 22 -5.816 11.033 1.619 224 HG22 ILE 22 HG22 ILE 22 -4.887 11.478 0.188 225 HG23 ILE 22 HG23 ILE 22 -4.239 10.327 1.353 226 HD11 ILE 22 HD11 ILE 22 -2.049 10.979 2.864 227 HD12 ILE 22 HD12 ILE 22 -1.870 10.723 1.131 228 HD13 ILE 22 HD13 ILE 22 -0.762 11.781 1.987 229 H GLY 23 HN GLY 23 -4.256 16.074 1.637 230 HA2 GLY 23 HA2 GLY 23 -4.220 17.928 2.975 231 HA3 GLY 23 HA1 GLY 23 -4.557 16.982 4.403 232 H LEU 24 HN LEU 24 -1.784 16.113 2.253 233 HA LEU 24 HA LEU 24 0.146 16.642 4.325 234 HB2 LEU 24 HB2 LEU 24 0.379 15.975 1.352 235 HB3 LEU 24 HB3 LEU 24 1.785 16.271 2.310 236 HG LEU 24 HG LEU 24 -0.231 14.098 2.993 237 HD11 LEU 24 HD11 LEU 24 0.642 13.299 1.010 238 HD12 LEU 24 HD12 LEU 24 1.825 12.638 2.129 239 HD13 LEU 24 HD13 LEU 24 2.199 14.085 1.201 240 HD21 LEU 24 HD21 LEU 24 1.947 13.277 4.292 241 HD22 LEU 24 HD22 LEU 24 0.879 14.482 5.000 242 HD23 LEU 24 HD23 LEU 24 2.382 14.976 4.238 243 HA PRO 25 HA PRO 25 1.115 20.933 3.154 244 HB2 PRO 25 HB2 PRO 25 3.654 21.162 4.156 245 HB3 PRO 25 HB3 PRO 25 2.252 20.995 5.203 246 HG2 PRO 25 HG2 PRO 25 4.111 18.797 4.266 247 HG3 PRO 25 HG3 PRO 25 3.674 19.156 5.935 248 HD2 PRO 25 HD2 PRO 25 2.385 17.235 4.510 249 HD3 PRO 25 HD3 PRO 25 1.456 18.266 5.608 250 H GLU 26 HN GLU 26 2.271 22.059 1.520 251 HA GLU 26 HA GLU 26 2.970 20.723 -0.801 252 HB2 GLU 26 HB2 GLU 26 2.256 23.035 -0.767 253 HB3 GLU 26 HB3 GLU 26 3.651 23.525 0.151 254 HG2 GLU 26 HG2 GLU 26 5.147 22.977 -1.805 255 HG3 GLU 26 HG3 GLU 26 3.759 22.398 -2.702 256 H GLU 27 HN GLU 27 5.110 21.629 1.868 257 HA GLU 27 HA GLU 27 7.647 21.267 0.839 258 HB2 GLU 27 HB2 GLU 27 7.140 22.141 3.049 259 HB3 GLU 27 HB3 GLU 27 6.403 20.651 3.553 260 HG2 GLU 27 HG2 GLU 27 8.691 19.516 3.415 261 HG3 GLU 27 HG3 GLU 27 9.383 21.060 2.970 262 H LEU 28 HN LEU 28 5.571 18.732 2.321 263 HA LEU 28 HA LEU 28 7.354 16.561 1.727 264 HB2 LEU 28 HB2 LEU 28 4.559 16.843 2.887 265 HB3 LEU 28 HB3 LEU 28 5.112 15.283 2.375 266 HG LEU 28 HG LEU 28 7.055 15.371 3.837 267 HD11 LEU 28 HD11 LEU 28 6.566 17.302 5.804 268 HD12 LEU 28 HD12 LEU 28 6.340 18.202 4.328 269 HD13 LEU 28 HD13 LEU 28 7.846 17.347 4.609 270 HD21 LEU 28 HD21 LEU 28 5.931 14.695 5.773 271 HD22 LEU 28 HD22 LEU 28 4.720 14.473 4.524 272 HD23 LEU 28 HD23 LEU 28 4.637 15.876 5.579 273 H ILE 29 HN ILE 29 4.740 18.110 -0.061 274 HA ILE 29 HA ILE 29 4.268 15.901 -1.862 275 HB ILE 29 HB ILE 29 3.539 18.845 -2.057 276 HG12 ILE 29 HG12 ILE 29 1.703 16.518 -1.476 277 HG13 ILE 29 HG13 ILE 29 2.490 17.348 -0.190 278 HG21 ILE 29 HG21 ILE 29 3.515 17.973 -4.368 279 HG22 ILE 29 HG22 ILE 29 2.603 16.556 -3.851 280 HG23 ILE 29 HG23 ILE 29 1.869 18.150 -3.822 281 HD11 ILE 29 HD11 ILE 29 0.046 18.077 -1.406 282 HD12 ILE 29 HD12 ILE 29 0.929 18.987 -0.194 283 HD13 ILE 29 HD13 ILE 29 1.184 19.335 -1.889 284 H GLN 30 HN GLN 30 6.181 18.988 -2.086 285 HA GLN 30 HA GLN 30 6.985 18.504 -4.783 286 HB2 GLN 30 HB2 GLN 30 8.077 20.424 -2.673 287 HB3 GLN 30 HB3 GLN 30 8.605 20.405 -4.328 288 HG2 GLN 30 HG2 GLN 30 5.887 21.231 -3.280 289 HG3 GLN 30 HG3 GLN 30 7.029 22.192 -4.165 290 HE21 GLN 30 HE21 GLN 30 4.139 20.571 -4.384 291 HE22 GLN 30 HE22 GLN 30 4.081 20.228 -6.097 292 H LYS 31 HN LYS 31 8.622 17.728 -1.695 293 HA LYS 31 HA LYS 31 10.946 16.660 -3.126 294 HB2 LYS 31 HB2 LYS 31 11.849 16.197 -0.986 295 HB3 LYS 31 HB3 LYS 31 11.155 17.777 -0.962 296 HG2 LYS 31 HG2 LYS 31 10.347 17.106 1.034 297 HG3 LYS 31 HG3 LYS 31 9.036 16.477 0.089 298 HD2 LYS 31 HD2 LYS 31 9.769 14.230 0.250 299 HD3 LYS 31 HD3 LYS 31 11.401 14.660 0.672 300 HE2 LYS 31 HE2 LYS 31 8.969 15.138 2.477 301 HE3 LYS 31 HE3 LYS 31 10.025 13.755 2.598 302 HZ1 LYS 31 HZ1 LYS 31 11.853 15.235 3.054 303 HZ2 LYS 31 HZ2 LYS 31 10.634 15.457 4.138 304 HZ3 LYS 31 HZ3 LYS 31 10.866 16.548 2.928 305 H GLY 32 HN GLY 32 7.791 15.500 -2.279 306 HA2 GLY 32 HA2 GLY 32 8.453 12.649 -2.215 307 HA3 GLY 32 HA1 GLY 32 6.871 13.399 -2.164 308 H LYS 33 HN LYS 33 7.026 15.032 -4.584 309 HA LYS 33 HA LYS 33 6.433 13.014 -6.552 310 HB2 LYS 33 HB2 LYS 33 5.784 14.831 -7.990 311 HB3 LYS 33 HB3 LYS 33 5.084 15.045 -6.433 312 HG2 LYS 33 HG2 LYS 33 5.906 17.074 -6.195 313 HG3 LYS 33 HG3 LYS 33 7.544 16.584 -6.462 314 HD2 LYS 33 HD2 LYS 33 5.527 17.175 -8.669 315 HD3 LYS 33 HD3 LYS 33 6.620 18.359 -8.015 316 HE2 LYS 33 HE2 LYS 33 8.576 16.966 -8.795 317 HE3 LYS 33 HE3 LYS 33 7.461 15.794 -9.474 318 HZ1 LYS 33 HZ1 LYS 33 7.638 18.616 -10.244 319 HZ2 LYS 33 HZ2 LYS 33 6.585 17.519 -10.878 320 HZ3 LYS 33 HZ3 LYS 33 8.208 17.333 -11.107 321 H ASP 34 HN ASP 34 9.172 15.188 -5.973 322 HA ASP 34 HA ASP 34 10.365 14.860 -8.548 323 HB2 ASP 34 HB2 ASP 34 10.679 16.903 -7.105 324 HB3 ASP 34 HB3 ASP 34 11.549 15.955 -5.949 325 H ILE 35 HN ILE 35 11.539 13.824 -5.288 326 HA ILE 35 HA ILE 35 13.480 12.015 -6.413 327 HB ILE 35 HB ILE 35 12.497 12.236 -3.533 328 HG12 ILE 35 HG12 ILE 35 14.947 13.635 -4.656 329 HG13 ILE 35 HG13 ILE 35 13.417 14.437 -4.495 330 HG21 ILE 35 HG21 ILE 35 14.780 11.270 -2.968 331 HG22 ILE 35 HG22 ILE 35 13.778 10.147 -3.855 332 HG23 ILE 35 HG23 ILE 35 15.064 11.023 -4.680 333 HD11 ILE 35 HD11 ILE 35 15.185 13.457 -2.242 334 HD12 ILE 35 HD12 ILE 35 14.496 15.051 -2.511 335 HD13 ILE 35 HD13 ILE 35 13.464 13.738 -1.970 336 H LYS 36 HN LYS 36 13.073 9.984 -7.092 337 HA LYS 36 HA LYS 36 10.627 8.548 -6.390 338 HB2 LYS 36 HB2 LYS 36 12.955 8.075 -8.270 339 HB3 LYS 36 HB3 LYS 36 12.001 6.723 -7.755 340 HG2 LYS 36 HG2 LYS 36 11.148 7.553 -9.860 341 HG3 LYS 36 HG3 LYS 36 9.939 7.625 -8.613 342 HD2 LYS 36 HD2 LYS 36 10.272 10.066 -8.346 343 HD3 LYS 36 HD3 LYS 36 11.589 10.053 -9.484 344 HE2 LYS 36 HE2 LYS 36 8.670 9.355 -10.141 345 HE3 LYS 36 HE3 LYS 36 9.433 10.905 -10.433 346 HZ1 LYS 36 HZ1 LYS 36 10.200 8.355 -11.650 347 HZ2 LYS 36 HZ2 LYS 36 11.001 9.784 -11.877 348 HZ3 LYS 36 HZ3 LYS 36 9.440 9.616 -12.385 349 H GLY 37 HN GLY 37 10.393 7.169 -4.804 350 HA2 GLY 37 HA2 GLY 37 12.532 6.713 -2.850 351 HA3 GLY 37 HA1 GLY 37 10.825 6.332 -2.744 352 H VAL 38 HN VAL 38 11.468 4.252 -1.881 353 HA VAL 38 HA VAL 38 12.034 2.210 -3.936 354 HB VAL 38 HB VAL 38 13.351 1.943 -1.202 355 HG11 VAL 38 HG11 VAL 38 14.958 0.492 -2.463 356 HG12 VAL 38 HG12 VAL 38 13.327 -0.118 -2.499 357 HG13 VAL 38 HG13 VAL 38 13.982 0.719 -3.905 358 HG21 VAL 38 HG21 VAL 38 15.528 2.753 -2.086 359 HG22 VAL 38 HG22 VAL 38 14.724 3.333 -3.540 360 HG23 VAL 38 HG23 VAL 38 14.360 4.048 -1.968 361 H SER 39 HN SER 39 11.483 0.028 -3.111 362 HA SER 39 HA SER 39 9.326 -0.044 -1.079 363 HB2 SER 39 HB2 SER 39 9.010 -1.551 -3.701 364 HB3 SER 39 HB3 SER 39 7.784 -0.991 -2.601 365 HG SER 39 HG SER 39 9.293 0.504 -4.466 366 H GLU 40 HN GLU 40 9.003 -2.149 -0.256 367 HA GLU 40 HA GLU 40 10.542 -4.399 -1.303 368 HB2 GLU 40 HB2 GLU 40 11.909 -3.331 0.647 369 HB3 GLU 40 HB3 GLU 40 10.521 -3.703 1.632 370 HG2 GLU 40 HG2 GLU 40 10.796 -6.160 1.121 371 HG3 GLU 40 HG3 GLU 40 12.241 -5.779 0.226 372 H ILE 41 HN ILE 41 9.452 -6.277 -1.034 373 HA ILE 41 HA ILE 41 7.050 -6.337 0.710 374 HB ILE 41 HB ILE 41 7.348 -7.570 -2.071 375 HG12 ILE 41 HG12 ILE 41 5.299 -5.547 -1.081 376 HG13 ILE 41 HG13 ILE 41 6.686 -5.116 -2.037 377 HG21 ILE 41 HG21 ILE 41 4.914 -8.308 -1.587 378 HG22 ILE 41 HG22 ILE 41 6.181 -9.230 -0.787 379 HG23 ILE 41 HG23 ILE 41 5.280 -8.009 0.103 380 HD11 ILE 41 HD11 ILE 41 4.156 -6.379 -2.939 381 HD12 ILE 41 HD12 ILE 41 5.263 -5.325 -3.805 382 HD13 ILE 41 HD13 ILE 41 5.605 -7.046 -3.685 383 H VAL 42 HN VAL 42 7.119 -8.091 2.077 384 HA VAL 42 HA VAL 42 8.971 -10.340 1.474 385 HB VAL 42 HB VAL 42 8.847 -9.046 4.236 386 HG11 VAL 42 HG11 VAL 42 10.745 -10.550 4.761 387 HG12 VAL 42 HG12 VAL 42 9.311 -11.466 4.352 388 HG13 VAL 42 HG13 VAL 42 10.604 -11.289 3.172 389 HG21 VAL 42 HG21 VAL 42 11.059 -8.755 2.174 390 HG22 VAL 42 HG22 VAL 42 10.076 -7.473 2.889 391 HG23 VAL 42 HG23 VAL 42 11.217 -8.352 3.881 392 H GLN 43 HN GLN 43 7.133 -11.462 0.846 393 HA GLN 43 HA GLN 43 5.017 -12.110 2.745 394 HB2 GLN 43 HB2 GLN 43 4.648 -12.180 0.307 395 HB3 GLN 43 HB3 GLN 43 5.891 -13.394 0.127 396 HG2 GLN 43 HG2 GLN 43 4.491 -14.939 1.639 397 HG3 GLN 43 HG3 GLN 43 3.253 -13.706 1.664 398 HE21 GLN 43 HE21 GLN 43 2.186 -15.856 0.894 399 HE22 GLN 43 HE22 GLN 43 2.089 -16.081 -0.835 400 H ASN 44 HN ASN 44 5.114 -13.657 4.277 401 HA ASN 44 HA ASN 44 7.120 -15.797 4.135 402 HB2 ASN 44 HB2 ASN 44 7.772 -15.538 6.486 403 HB3 ASN 44 HB3 ASN 44 8.306 -14.224 5.484 404 HD21 ASN 44 HD21 ASN 44 6.941 -12.122 5.560 405 HD22 ASN 44 HD22 ASN 44 6.337 -11.695 7.137 406 H GLY 45 HN GLY 45 5.264 -16.744 3.246 407 HA2 GLY 45 HA2 GLY 45 3.570 -18.275 3.353 408 HA3 GLY 45 HA1 GLY 45 3.627 -18.241 5.110 409 H LYS 46 HN LYS 46 1.716 -17.567 5.922 410 HA LYS 46 HA LYS 46 -0.143 -15.893 4.511 411 HB2 LYS 46 HB2 LYS 46 -0.068 -17.499 7.040 412 HB3 LYS 46 HB3 LYS 46 -1.097 -16.114 7.122 413 HG2 LYS 46 HG2 LYS 46 -1.332 -18.085 4.832 414 HG3 LYS 46 HG3 LYS 46 -2.215 -18.246 6.329 415 HD2 LYS 46 HD2 LYS 46 -3.303 -16.084 6.019 416 HD3 LYS 46 HD3 LYS 46 -2.351 -15.705 4.620 417 HE2 LYS 46 HE2 LYS 46 -4.508 -16.374 3.817 418 HE3 LYS 46 HE3 LYS 46 -3.413 -17.682 3.411 419 HZ1 LYS 46 HZ1 LYS 46 -4.198 -18.837 5.369 420 HZ2 LYS 46 HZ2 LYS 46 -5.448 -18.470 4.357 421 HZ3 LYS 46 HZ3 LYS 46 -5.213 -17.590 5.732 422 H HIS 47 HN HIS 47 2.385 -15.255 6.898 423 HA HIS 47 HA HIS 47 1.522 -12.537 7.452 424 HB2 HIS 47 HB2 HIS 47 3.685 -14.340 8.339 425 HB3 HIS 47 HB3 HIS 47 4.307 -12.770 7.938 426 HD1 HIS 47 HD1 HIS 47 2.537 -10.698 9.015 427 HD2 HIS 47 HD2 HIS 47 3.206 -14.307 11.100 428 HE1 HIS 47 HE1 HIS 47 2.083 -10.298 11.463 429 H PHE 48 HN PHE 48 2.548 -10.634 6.723 430 HA PHE 48 HA PHE 48 4.064 -10.695 4.197 431 HB2 PHE 48 HB2 PHE 48 1.432 -10.924 3.914 432 HB3 PHE 48 HB3 PHE 48 1.367 -9.296 4.488 433 HD1 PHE 48 HD1 PHE 48 2.801 -7.491 3.101 434 HD2 PHE 48 HD2 PHE 48 1.756 -11.422 1.646 435 HE1 PHE 48 HE1 PHE 48 3.068 -6.731 0.779 436 HE2 PHE 48 HE2 PHE 48 2.022 -10.617 -0.658 437 HZ PHE 48 HZ PHE 48 2.635 -8.268 -1.092 438 H LYS 49 HN LYS 49 5.407 -8.968 4.125 439 HA LYS 49 HA LYS 49 5.026 -6.687 6.018 440 HB2 LYS 49 HB2 LYS 49 7.087 -8.586 5.981 441 HB3 LYS 49 HB3 LYS 49 7.769 -7.319 5.004 442 HG2 LYS 49 HG2 LYS 49 7.458 -5.714 6.868 443 HG3 LYS 49 HG3 LYS 49 6.602 -6.921 7.801 444 HD2 LYS 49 HD2 LYS 49 8.655 -8.382 7.783 445 HD3 LYS 49 HD3 LYS 49 9.524 -7.142 6.924 446 HE2 LYS 49 HE2 LYS 49 8.314 -6.809 9.725 447 HE3 LYS 49 HE3 LYS 49 9.999 -7.151 9.387 448 HZ1 LYS 49 HZ1 LYS 49 10.134 -5.082 8.205 449 HZ2 LYS 49 HZ2 LYS 49 9.634 -4.847 9.760 450 HZ3 LYS 49 HZ3 LYS 49 8.549 -4.759 8.523 451 H PHE 50 HN PHE 50 5.497 -4.618 5.186 452 HA PHE 50 HA PHE 50 6.020 -4.341 2.292 453 HB2 PHE 50 HB2 PHE 50 3.389 -4.349 3.337 454 HB3 PHE 50 HB3 PHE 50 3.733 -2.657 3.253 455 HD1 PHE 50 HD1 PHE 50 1.750 -4.579 1.679 456 HD2 PHE 50 HD2 PHE 50 5.423 -2.523 0.709 457 HE1 PHE 50 HE1 PHE 50 1.081 -4.456 -0.682 458 HE2 PHE 50 HE2 PHE 50 4.709 -2.408 -1.639 459 HZ PHE 50 HZ PHE 50 2.555 -3.381 -2.338 460 H THR 51 HN THR 51 7.913 -3.223 2.507 461 HA THR 51 HA THR 51 8.062 -0.987 4.485 462 HB THR 51 HB THR 51 10.398 -2.426 3.167 463 HG1 THR 51 HG1 THR 51 10.552 -3.652 4.879 464 HG21 THR 51 HG21 THR 51 11.045 -0.210 3.950 465 HG22 THR 51 HG22 THR 51 11.722 -1.442 5.001 466 HG23 THR 51 HG23 THR 51 10.311 -0.522 5.513 467 H ILE 52 HN ILE 52 7.136 0.661 3.257 468 HA ILE 52 HA ILE 52 8.250 1.253 0.552 469 HB ILE 52 HB ILE 52 5.739 2.220 1.980 470 HG12 ILE 52 HG12 ILE 52 5.989 0.440 -0.478 471 HG13 ILE 52 HG13 ILE 52 5.705 -0.169 1.123 472 HG21 ILE 52 HG21 ILE 52 6.763 2.965 -0.804 473 HG22 ILE 52 HG22 ILE 52 5.131 3.297 -0.240 474 HG23 ILE 52 HG23 ILE 52 6.486 4.069 0.536 475 HD11 ILE 52 HD11 ILE 52 3.784 1.271 -0.669 476 HD12 ILE 52 HD12 ILE 52 3.512 -0.080 0.424 477 HD13 ILE 52 HD13 ILE 52 3.615 1.555 1.062 478 H THR 53 HN THR 53 9.570 2.974 0.286 479 HA THR 53 HA THR 53 9.700 5.069 2.388 480 HB THR 53 HB THR 53 11.633 3.666 2.736 481 HG1 THR 53 HG1 THR 53 12.052 5.919 2.719 482 HG21 THR 53 HG21 THR 53 13.373 3.225 1.044 483 HG22 THR 53 HG22 THR 53 12.369 3.955 -0.200 484 HG23 THR 53 HG23 THR 53 11.861 2.459 0.603 485 H ALA 54 HN ALA 54 10.251 7.107 1.741 486 HA ALA 54 HA ALA 54 9.712 7.826 -1.093 487 HB1 ALA 54 HB1 ALA 54 9.622 9.519 1.468 488 HB2 ALA 54 HB2 ALA 54 9.088 10.020 -0.140 489 HB3 ALA 54 HB3 ALA 54 8.219 8.765 0.719 490 H GLY 55 HN GLY 55 10.942 10.462 -0.650 491 HA2 GLY 55 HA2 GLY 55 13.741 9.807 -1.279 492 HA3 GLY 55 HA1 GLY 55 12.917 11.349 -1.407 493 H SER 56 HN SER 56 12.126 10.346 1.712 494 HA SER 56 HA SER 56 14.564 11.233 3.032 495 HB2 SER 56 HB2 SER 56 13.458 13.349 1.991 496 HB3 SER 56 HB3 SER 56 12.145 13.081 3.111 497 HG SER 56 HG SER 56 14.868 13.560 3.731 498 H LYS 57 HN LYS 57 12.121 9.115 3.164 499 HA LYS 57 HA LYS 57 12.604 8.546 5.885 500 HB2 LYS 57 HB2 LYS 57 10.373 8.764 6.828 501 HB3 LYS 57 HB3 LYS 57 10.988 10.320 6.448 502 HG2 LYS 57 HG2 LYS 57 9.457 10.710 4.725 503 HG3 LYS 57 HG3 LYS 57 9.198 9.036 4.347 504 HD2 LYS 57 HD2 LYS 57 8.303 10.250 6.997 505 HD3 LYS 57 HD3 LYS 57 7.291 10.279 5.579 506 HE2 LYS 57 HE2 LYS 57 7.086 7.895 5.503 507 HE3 LYS 57 HE3 LYS 57 8.443 7.626 6.575 508 HZ1 LYS 57 HZ1 LYS 57 6.441 7.287 7.723 509 HZ2 LYS 57 HZ2 LYS 57 5.891 8.801 7.363 510 HZ3 LYS 57 HZ3 LYS 57 7.200 8.606 8.355 511 H VAL 58 HN VAL 58 11.672 6.548 6.604 512 HA VAL 58 HA VAL 58 10.617 4.771 4.448 513 HB VAL 58 HB VAL 58 12.088 4.029 7.025 514 HG11 VAL 58 HG11 VAL 58 11.203 2.268 4.693 515 HG12 VAL 58 HG12 VAL 58 12.326 1.750 5.945 516 HG13 VAL 58 HG13 VAL 58 10.683 2.149 6.370 517 HG21 VAL 58 HG21 VAL 58 13.713 5.125 5.525 518 HG22 VAL 58 HG22 VAL 58 14.047 3.415 5.676 519 HG23 VAL 58 HG23 VAL 58 13.285 4.026 4.222 520 H ILE 59 HN ILE 59 8.815 3.541 4.884 521 HA ILE 59 HA ILE 59 7.366 3.845 7.486 522 HB ILE 59 HB ILE 59 6.186 3.197 4.738 523 HG12 ILE 59 HG12 ILE 59 5.710 5.880 6.041 524 HG13 ILE 59 HG13 ILE 59 7.089 5.665 5.003 525 HG21 ILE 59 HG21 ILE 59 3.983 3.654 5.776 526 HG22 ILE 59 HG22 ILE 59 4.797 2.334 6.578 527 HG23 ILE 59 HG23 ILE 59 4.763 3.925 7.326 528 HD11 ILE 59 HD11 ILE 59 5.452 6.495 3.557 529 HD12 ILE 59 HD12 ILE 59 5.517 4.783 3.176 530 HD13 ILE 59 HD13 ILE 59 4.197 5.409 4.162 531 H GLN 60 HN GLN 60 6.707 1.850 8.386 532 HA GLN 60 HA GLN 60 7.440 -0.658 6.920 533 HB2 GLN 60 HB2 GLN 60 7.942 0.012 9.858 534 HB3 GLN 60 HB3 GLN 60 8.122 -1.559 9.148 535 HG2 GLN 60 HG2 GLN 60 10.237 -1.114 8.530 536 HG3 GLN 60 HG3 GLN 60 9.696 0.153 7.474 537 HE21 GLN 60 HE21 GLN 60 9.073 2.324 8.754 538 HE22 GLN 60 HE22 GLN 60 10.294 2.821 9.895 539 H ASN 61 HN ASN 61 5.759 -1.919 6.642 540 HA ASN 61 HA ASN 61 3.483 -1.891 8.584 541 HB2 ASN 61 HB2 ASN 61 3.473 -2.387 5.548 542 HB3 ASN 61 HB3 ASN 61 2.124 -2.663 6.596 543 HD21 ASN 61 HD21 ASN 61 3.461 0.155 7.865 544 HD22 ASN 61 HD22 ASN 61 2.484 1.289 6.961 545 H GLU 62 HN GLU 62 2.601 -3.885 9.090 546 HA GLU 62 HA GLU 62 3.471 -6.272 7.728 547 HB2 GLU 62 HB2 GLU 62 5.184 -6.077 9.531 548 HB3 GLU 62 HB3 GLU 62 3.929 -5.997 10.733 549 HG2 GLU 62 HG2 GLU 62 3.178 -8.325 10.142 550 HG3 GLU 62 HG3 GLU 62 4.389 -8.397 8.880 551 H PHE 63 HN PHE 63 1.937 -7.843 7.756 552 HA PHE 63 HA PHE 63 -0.316 -7.802 9.520 553 HB2 PHE 63 HB2 PHE 63 -2.042 -7.481 7.737 554 HB3 PHE 63 HB3 PHE 63 -1.119 -6.046 8.024 555 HD1 PHE 63 HD1 PHE 63 0.507 -5.210 6.335 556 HD2 PHE 63 HD2 PHE 63 -1.796 -8.785 5.599 557 HE1 PHE 63 HE1 PHE 63 1.052 -5.084 3.945 558 HE2 PHE 63 HE2 PHE 63 -1.213 -8.632 3.208 559 HZ PHE 63 HZ PHE 63 0.177 -6.768 2.387 560 H THR 64 HN THR 64 -1.905 -9.552 8.926 561 HA THR 64 HA THR 64 -0.622 -11.819 7.461 562 HB THR 64 HB THR 64 -2.420 -11.878 9.939 563 HG1 THR 64 HG1 THR 64 -0.584 -12.957 10.792 564 HG21 THR 64 HG21 THR 64 -1.290 -14.236 8.349 565 HG22 THR 64 HG22 THR 64 -3.005 -13.845 8.485 566 HG23 THR 64 HG23 THR 64 -2.111 -14.363 9.900 567 H VAL 65 HN VAL 65 -1.787 -12.485 5.755 568 HA VAL 65 HA VAL 65 -4.055 -10.987 4.904 569 HB VAL 65 HB VAL 65 -2.805 -13.530 3.775 570 HG11 VAL 65 HG11 VAL 65 -4.753 -11.627 2.399 571 HG12 VAL 65 HG12 VAL 65 -3.896 -12.939 1.611 572 HG13 VAL 65 HG13 VAL 65 -5.105 -13.302 2.822 573 HG21 VAL 65 HG21 VAL 65 -1.694 -12.015 2.150 574 HG22 VAL 65 HG22 VAL 65 -2.387 -10.620 2.968 575 HG23 VAL 65 HG23 VAL 65 -1.204 -11.637 3.790 576 H GLY 66 HN GLY 66 -5.972 -11.211 5.934 577 HA2 GLY 66 HA2 GLY 66 -8.009 -12.605 5.977 578 HA3 GLY 66 HA1 GLY 66 -7.067 -13.948 6.565 579 H GLU 67 HN GLU 67 -5.647 -11.343 8.139 580 HA GLU 67 HA GLU 67 -7.560 -11.393 10.437 581 HB2 GLU 67 HB2 GLU 67 -4.510 -11.518 10.381 582 HB3 GLU 67 HB3 GLU 67 -5.404 -11.246 11.834 583 HG2 GLU 67 HG2 GLU 67 -5.723 -13.802 10.174 584 HG3 GLU 67 HG3 GLU 67 -4.552 -13.615 11.449 585 H GLU 68 HN GLU 68 -7.513 -9.643 11.837 586 HA GLU 68 HA GLU 68 -7.253 -7.038 10.617 587 HB2 GLU 68 HB2 GLU 68 -7.913 -7.955 13.455 588 HB3 GLU 68 HB3 GLU 68 -7.972 -6.296 12.924 589 HG2 GLU 68 HG2 GLU 68 -9.738 -6.848 11.267 590 HG3 GLU 68 HG3 GLU 68 -9.669 -8.541 11.709 591 H CYS 69 HN CYS 69 -5.475 -5.813 10.578 592 HA CYS 69 HA CYS 69 -3.518 -5.825 12.785 593 HB2 CYS 69 HB2 CYS 69 -2.821 -6.323 9.837 594 HB3 CYS 69 HB3 CYS 69 -1.646 -5.750 11.006 595 HG CYS 69 HG CYS 69 -3.437 -8.506 11.105 596 H GLU 70 HN GLU 70 -2.230 -3.864 12.802 597 HA GLU 70 HA GLU 70 -3.727 -1.568 11.689 598 HB2 GLU 70 HB2 GLU 70 -3.309 -1.862 14.186 599 HB3 GLU 70 HB3 GLU 70 -1.619 -1.616 13.872 600 HG2 GLU 70 HG2 GLU 70 -2.102 0.622 12.887 601 HG3 GLU 70 HG3 GLU 70 -3.812 0.408 13.158 602 H LEU 71 HN LEU 71 -2.971 -0.450 10.044 603 HA LEU 71 HA LEU 71 -0.254 -0.981 8.951 604 HB2 LEU 71 HB2 LEU 71 -2.948 -0.121 7.774 605 HB3 LEU 71 HB3 LEU 71 -1.476 0.014 6.872 606 HG LEU 71 HG LEU 71 -2.675 -1.938 6.227 607 HD11 LEU 71 HD11 LEU 71 -0.400 -3.374 7.473 608 HD12 LEU 71 HD12 LEU 71 0.012 -1.869 6.672 609 HD13 LEU 71 HD13 LEU 71 -0.819 -3.125 5.777 610 HD21 LEU 71 HD21 LEU 71 -3.603 -2.378 8.686 611 HD22 LEU 71 HD22 LEU 71 -2.274 -3.529 8.736 612 HD23 LEU 71 HD23 LEU 71 -3.502 -3.654 7.486 613 H GLU 72 HN GLU 72 1.216 0.629 9.017 614 HA GLU 72 HA GLU 72 0.542 3.291 9.958 615 HB2 GLU 72 HB2 GLU 72 2.615 2.012 10.628 616 HB3 GLU 72 HB3 GLU 72 3.191 2.126 9.000 617 HG2 GLU 72 HG2 GLU 72 3.229 4.639 9.164 618 HG3 GLU 72 HG3 GLU 72 2.632 4.533 10.802 619 H THR 73 HN THR 73 0.151 5.041 8.758 620 HA THR 73 HA THR 73 0.310 5.018 5.809 621 HB THR 73 HB THR 73 -0.809 7.097 7.774 622 HG1 THR 73 HG1 THR 73 -1.872 5.125 7.947 623 HG21 THR 73 HG21 THR 73 -0.603 8.192 5.592 624 HG22 THR 73 HG22 THR 73 -2.281 7.774 5.829 625 HG23 THR 73 HG23 THR 73 -1.284 6.785 4.768 626 H MET 74 HN MET 74 1.166 7.117 4.777 627 HA MET 74 HA MET 74 3.845 7.561 5.225 628 HB2 MET 74 HB2 MET 74 1.803 9.484 4.017 629 HB3 MET 74 HB3 MET 74 3.523 9.680 3.877 630 HG2 MET 74 HG2 MET 74 3.463 7.273 2.763 631 HG3 MET 74 HG3 MET 74 1.762 7.619 2.544 632 HE1 MET 74 HE1 MET 74 3.855 7.033 0.150 633 HE2 MET 74 HE2 MET 74 2.133 7.357 -0.112 634 HE3 MET 74 HE3 MET 74 3.351 8.258 -1.024 635 H THR 75 HN THR 75 1.185 9.411 6.709 636 HA THR 75 HA THR 75 2.853 11.518 7.779 637 HB THR 75 HB THR 75 0.614 12.094 8.919 638 HG1 THR 75 HG1 THR 75 -1.157 10.884 8.261 639 HG21 THR 75 HG21 THR 75 0.435 11.651 5.896 640 HG22 THR 75 HG22 THR 75 1.138 13.052 6.708 641 HG23 THR 75 HG23 THR 75 -0.583 12.718 6.861 642 H GLY 76 HN GLY 76 2.356 8.290 8.833 643 HA2 GLY 76 HA2 GLY 76 3.057 7.306 10.816 644 HA3 GLY 76 HA1 GLY 76 3.199 8.858 11.615 645 H GLU 77 HN GLU 77 0.206 8.931 10.023 646 HA GLU 77 HA GLU 77 -1.512 8.212 12.230 647 HB2 GLU 77 HB2 GLU 77 -1.988 8.599 9.230 648 HB3 GLU 77 HB3 GLU 77 -3.262 8.271 10.361 649 HG2 GLU 77 HG2 GLU 77 -2.849 10.373 11.575 650 HG3 GLU 77 HG3 GLU 77 -1.443 10.722 10.604 651 H LYS 78 HN LYS 78 -2.850 6.320 12.395 652 HA LYS 78 HA LYS 78 -1.925 3.951 10.840 653 HB2 LYS 78 HB2 LYS 78 -2.172 4.038 13.880 654 HB3 LYS 78 HB3 LYS 78 -1.654 2.712 12.879 655 HG2 LYS 78 HG2 LYS 78 0.323 4.244 12.125 656 HG3 LYS 78 HG3 LYS 78 -0.177 5.308 13.410 657 HD2 LYS 78 HD2 LYS 78 1.524 4.069 14.400 658 HD3 LYS 78 HD3 LYS 78 0.073 3.332 15.021 659 HE2 LYS 78 HE2 LYS 78 0.282 1.507 13.244 660 HE3 LYS 78 HE3 LYS 78 1.774 2.257 12.713 661 HZ1 LYS 78 HZ1 LYS 78 1.249 1.194 15.385 662 HZ2 LYS 78 HZ2 LYS 78 2.663 1.904 14.906 663 HZ3 LYS 78 HZ3 LYS 78 2.175 0.484 14.221 664 H VAL 79 HN VAL 79 -3.424 2.380 10.508 665 HA VAL 79 HA VAL 79 -6.169 2.717 11.543 666 HB VAL 79 HB VAL 79 -6.916 2.341 9.066 667 HG11 VAL 79 HG11 VAL 79 -7.177 4.727 8.652 668 HG12 VAL 79 HG12 VAL 79 -7.483 4.368 10.344 669 HG13 VAL 79 HG13 VAL 79 -5.960 5.115 9.862 670 HG21 VAL 79 HG21 VAL 79 -5.549 3.339 7.301 671 HG22 VAL 79 HG22 VAL 79 -4.249 3.681 8.422 672 HG23 VAL 79 HG23 VAL 79 -4.652 2.017 8.034 673 H LYS 80 HN LYS 80 -7.168 0.870 11.911 674 HA LYS 80 HA LYS 80 -5.908 -1.664 11.209 675 HB2 LYS 80 HB2 LYS 80 -8.116 -0.796 13.069 676 HB3 LYS 80 HB3 LYS 80 -8.069 -2.461 12.569 677 HG2 LYS 80 HG2 LYS 80 -6.055 -2.971 13.559 678 HG3 LYS 80 HG3 LYS 80 -5.443 -1.352 13.460 679 HD2 LYS 80 HD2 LYS 80 -7.564 -2.238 15.447 680 HD3 LYS 80 HD3 LYS 80 -5.859 -2.089 15.777 681 HE2 LYS 80 HE2 LYS 80 -6.265 0.431 14.819 682 HE3 LYS 80 HE3 LYS 80 -7.907 0.100 15.333 683 HZ1 LYS 80 HZ1 LYS 80 -6.645 1.108 17.051 684 HZ2 LYS 80 HZ2 LYS 80 -5.458 -0.025 16.941 685 HZ3 LYS 80 HZ3 LYS 80 -6.954 -0.447 17.519 686 H THR 81 HN THR 81 -6.687 -3.242 9.979 687 HA THR 81 HA THR 81 -9.152 -3.213 8.540 688 HB THR 81 HB THR 81 -7.955 -1.401 7.265 689 HG1 THR 81 HG1 THR 81 -7.964 -2.514 5.211 690 HG21 THR 81 HG21 THR 81 -5.582 -2.013 7.569 691 HG22 THR 81 HG22 THR 81 -5.973 -1.923 5.863 692 HG23 THR 81 HG23 THR 81 -5.799 -3.488 6.620 693 H VAL 82 HN VAL 82 -9.223 -5.068 7.025 694 HA VAL 82 HA VAL 82 -7.224 -7.217 7.613 695 HB VAL 82 HB VAL 82 -10.065 -7.439 6.502 696 HG11 VAL 82 HG11 VAL 82 -8.682 -9.250 5.570 697 HG12 VAL 82 HG12 VAL 82 -8.024 -9.612 7.159 698 HG13 VAL 82 HG13 VAL 82 -9.720 -9.920 6.814 699 HG21 VAL 82 HG21 VAL 82 -10.167 -6.921 8.904 700 HG22 VAL 82 HG22 VAL 82 -10.623 -8.591 8.632 701 HG23 VAL 82 HG23 VAL 82 -9.024 -8.214 9.255 702 H VAL 83 HN VAL 83 -5.835 -7.604 5.974 703 HA VAL 83 HA VAL 83 -6.399 -6.570 3.250 704 HB VAL 83 HB VAL 83 -3.883 -7.904 4.339 705 HG11 VAL 83 HG11 VAL 83 -2.812 -6.779 2.303 706 HG12 VAL 83 HG12 VAL 83 -3.883 -8.112 1.926 707 HG13 VAL 83 HG13 VAL 83 -4.426 -6.451 1.709 708 HG21 VAL 83 HG21 VAL 83 -2.871 -5.614 4.394 709 HG22 VAL 83 HG22 VAL 83 -4.450 -4.916 4.085 710 HG23 VAL 83 HG23 VAL 83 -4.151 -5.807 5.571 711 H GLN 84 HN GLN 84 -6.727 -7.906 1.538 712 HA GLN 84 HA GLN 84 -6.826 -10.855 1.930 713 HB2 GLN 84 HB2 GLN 84 -8.847 -8.950 0.635 714 HB3 GLN 84 HB3 GLN 84 -8.894 -10.661 0.358 715 HG2 GLN 84 HG2 GLN 84 -9.248 -9.317 3.073 716 HG3 GLN 84 HG3 GLN 84 -10.514 -10.000 2.084 717 HE21 GLN 84 HE21 GLN 84 -10.105 -10.764 4.762 718 HE22 GLN 84 HE22 GLN 84 -9.638 -12.444 4.783 719 H LEU 85 HN LEU 85 -7.143 -11.947 -0.275 720 HA LEU 85 HA LEU 85 -5.655 -10.671 -2.455 721 HB2 LEU 85 HB2 LEU 85 -4.129 -12.030 -0.841 722 HB3 LEU 85 HB3 LEU 85 -4.896 -13.462 -1.444 723 HG LEU 85 HG LEU 85 -3.376 -11.403 -3.114 724 HD11 LEU 85 HD11 LEU 85 -1.996 -13.961 -2.966 725 HD12 LEU 85 HD12 LEU 85 -2.326 -13.403 -1.343 726 HD13 LEU 85 HD13 LEU 85 -1.453 -12.374 -2.456 727 HD21 LEU 85 HD21 LEU 85 -4.614 -12.409 -4.795 728 HD22 LEU 85 HD22 LEU 85 -4.755 -13.945 -3.925 729 HD23 LEU 85 HD23 LEU 85 -3.267 -13.521 -4.750 730 H GLU 86 HN GLU 86 -6.753 -11.058 -4.336 731 HA GLU 86 HA GLU 86 -9.108 -12.811 -4.219 732 HB2 GLU 86 HB2 GLU 86 -9.926 -11.538 -6.069 733 HB3 GLU 86 HB3 GLU 86 -9.427 -10.493 -4.781 734 HG2 GLU 86 HG2 GLU 86 -7.301 -9.961 -6.003 735 HG3 GLU 86 HG3 GLU 86 -7.787 -10.996 -7.329 736 H GLY 87 HN GLY 87 -6.410 -14.031 -4.595 737 HA2 GLY 87 HA2 GLY 87 -5.832 -16.047 -5.454 738 HA3 GLY 87 HA1 GLY 87 -7.311 -16.086 -6.386 739 H ASP 88 HN ASP 88 -5.759 -13.198 -7.295 740 HA ASP 88 HA ASP 88 -4.010 -14.460 -9.337 741 HB2 ASP 88 HB2 ASP 88 -6.392 -14.022 -10.288 742 HB3 ASP 88 HB3 ASP 88 -6.101 -12.343 -10.069 743 H ASN 89 HN ASN 89 -2.761 -13.689 -7.342 744 HA ASN 89 HA ASN 89 -1.345 -12.371 -6.403 745 HB2 ASN 89 HB2 ASN 89 0.420 -11.428 -8.242 746 HB3 ASN 89 HB3 ASN 89 0.189 -13.074 -7.804 747 HD21 ASN 89 HD21 ASN 89 -0.685 -10.734 -10.362 748 HD22 ASN 89 HD22 ASN 89 -1.010 -11.953 -11.571 749 H LYS 90 HN LYS 90 -3.684 -10.969 -6.374 750 HA LYS 90 HA LYS 90 -2.876 -8.126 -6.531 751 HB2 LYS 90 HB2 LYS 90 -5.443 -9.536 -7.353 752 HB3 LYS 90 HB3 LYS 90 -5.466 -7.854 -6.903 753 HG2 LYS 90 HG2 LYS 90 -4.007 -7.196 -8.681 754 HG3 LYS 90 HG3 LYS 90 -3.646 -8.843 -9.121 755 HD2 LYS 90 HD2 LYS 90 -6.051 -9.217 -9.740 756 HD3 LYS 90 HD3 LYS 90 -6.445 -7.606 -9.207 757 HE2 LYS 90 HE2 LYS 90 -6.318 -7.617 -11.631 758 HE3 LYS 90 HE3 LYS 90 -5.040 -6.614 -10.980 759 HZ1 LYS 90 HZ1 LYS 90 -3.542 -8.472 -11.288 760 HZ2 LYS 90 HZ2 LYS 90 -4.244 -8.020 -12.705 761 HZ3 LYS 90 HZ3 LYS 90 -4.751 -9.392 -11.924 762 H LEU 91 HN LEU 91 -2.590 -7.487 -4.490 763 HA LEU 91 HA LEU 91 -4.124 -8.590 -2.257 764 HB2 LEU 91 HB2 LEU 91 -1.570 -7.164 -2.634 765 HB3 LEU 91 HB3 LEU 91 -2.529 -6.360 -1.437 766 HG LEU 91 HG LEU 91 -2.820 -8.524 -0.225 767 HD11 LEU 91 HD11 LEU 91 -0.520 -9.949 -1.294 768 HD12 LEU 91 HD12 LEU 91 -1.696 -9.721 -2.574 769 HD13 LEU 91 HD13 LEU 91 -2.172 -10.499 -1.069 770 HD21 LEU 91 HD21 LEU 91 -1.194 -6.905 0.544 771 HD22 LEU 91 HD22 LEU 91 0.003 -7.461 -0.616 772 HD23 LEU 91 HD23 LEU 91 -0.492 -8.511 0.715 773 H VAL 92 HN VAL 92 -5.866 -7.599 -1.333 774 HA VAL 92 HA VAL 92 -6.700 -4.884 -2.291 775 HB VAL 92 HB VAL 92 -8.414 -7.344 -1.690 776 HG11 VAL 92 HG11 VAL 92 -9.712 -5.385 -0.983 777 HG12 VAL 92 HG12 VAL 92 -9.316 -4.535 -2.478 778 HG13 VAL 92 HG13 VAL 92 -10.353 -5.955 -2.506 779 HG21 VAL 92 HG21 VAL 92 -9.073 -7.235 -4.095 780 HG22 VAL 92 HG22 VAL 92 -7.887 -5.961 -4.355 781 HG23 VAL 92 HG23 VAL 92 -7.368 -7.580 -3.898 782 H THR 93 HN THR 93 -7.281 -3.455 -0.679 783 HA THR 93 HA THR 93 -8.302 -4.395 1.850 784 HB THR 93 HB THR 93 -5.845 -4.551 2.286 785 HG1 THR 93 HG1 THR 93 -7.147 -4.075 3.988 786 HG21 THR 93 HG21 THR 93 -4.420 -2.582 2.504 787 HG22 THR 93 HG22 THR 93 -5.701 -1.512 1.965 788 HG23 THR 93 HG23 THR 93 -4.986 -2.678 0.844 789 H THR 94 HN THR 94 -9.429 -2.812 2.992 790 HA THR 94 HA THR 94 -9.647 -0.086 1.848 791 HB THR 94 HB THR 94 -12.186 -0.324 2.229 792 HG1 THR 94 HG1 THR 94 -12.101 -2.274 3.370 793 HG21 THR 94 HG21 THR 94 -10.970 -1.941 -0.064 794 HG22 THR 94 HG22 THR 94 -11.435 -0.237 -0.076 795 HG23 THR 94 HG23 THR 94 -12.663 -1.475 0.052 796 H PHE 95 HN PHE 95 -9.007 1.123 3.522 797 HA PHE 95 HA PHE 95 -9.062 0.250 6.238 798 HB2 PHE 95 HB2 PHE 95 -8.538 3.074 5.183 799 HB3 PHE 95 HB3 PHE 95 -8.069 2.427 6.727 800 HD1 PHE 95 HD1 PHE 95 -6.262 0.588 6.813 801 HD2 PHE 95 HD2 PHE 95 -7.266 2.663 3.170 802 HE1 PHE 95 HE1 PHE 95 -4.147 -0.136 5.779 803 HE2 PHE 95 HE2 PHE 95 -5.153 1.920 2.172 804 HZ PHE 95 HZ PHE 95 -3.585 0.535 3.479 805 H LYS 96 HN LYS 96 -10.732 3.012 4.630 806 HA LYS 96 HA LYS 96 -13.056 2.789 6.429 807 HB2 LYS 96 HB2 LYS 96 -11.423 5.380 6.187 808 HB3 LYS 96 HB3 LYS 96 -12.944 5.179 7.009 809 HG2 LYS 96 HG2 LYS 96 -11.721 3.449 8.526 810 HG3 LYS 96 HG3 LYS 96 -10.244 3.994 7.780 811 HD2 LYS 96 HD2 LYS 96 -10.344 5.227 9.760 812 HD3 LYS 96 HD3 LYS 96 -10.835 6.367 8.537 813 HE2 LYS 96 HE2 LYS 96 -13.234 6.063 9.141 814 HE3 LYS 96 HE3 LYS 96 -12.808 4.795 10.279 815 HZ1 LYS 96 HZ1 LYS 96 -13.134 6.864 11.366 816 HZ2 LYS 96 HZ2 LYS 96 -11.960 7.592 10.468 817 HZ3 LYS 96 HZ3 LYS 96 -11.561 6.395 11.529 818 H ASN 97 HN ASN 97 -11.565 5.016 4.045 819 HA ASN 97 HA ASN 97 -13.818 4.674 2.168 820 HB2 ASN 97 HB2 ASN 97 -14.030 7.151 1.949 821 HB3 ASN 97 HB3 ASN 97 -14.448 6.590 3.539 822 HD21 ASN 97 HD21 ASN 97 -12.180 8.554 1.704 823 HD22 ASN 97 HD22 ASN 97 -11.351 9.227 3.083 824 H ILE 98 HN ILE 98 -10.707 4.177 2.537 825 HA ILE 98 HA ILE 98 -9.797 5.213 -0.113 826 HB ILE 98 HB ILE 98 -8.233 4.416 2.379 827 HG12 ILE 98 HG12 ILE 98 -7.995 7.169 1.285 828 HG13 ILE 98 HG13 ILE 98 -9.440 6.814 2.182 829 HG21 ILE 98 HG21 ILE 98 -6.865 3.814 0.416 830 HG22 ILE 98 HG22 ILE 98 -7.142 5.398 -0.302 831 HG23 ILE 98 HG23 ILE 98 -6.185 5.238 1.164 832 HD11 ILE 98 HD11 ILE 98 -6.644 6.327 3.305 833 HD12 ILE 98 HD12 ILE 98 -7.646 7.735 3.645 834 HD13 ILE 98 HD13 ILE 98 -8.171 6.137 4.165 835 H LYS 99 HN LYS 99 -10.008 3.563 -1.541 836 HA LYS 99 HA LYS 99 -9.625 0.744 -0.786 837 HB2 LYS 99 HB2 LYS 99 -11.233 1.752 -2.621 838 HB3 LYS 99 HB3 LYS 99 -9.799 1.933 -3.591 839 HG2 LYS 99 HG2 LYS 99 -9.437 -0.629 -3.214 840 HG3 LYS 99 HG3 LYS 99 -11.004 -0.641 -2.462 841 HD2 LYS 99 HD2 LYS 99 -11.881 0.439 -4.690 842 HD3 LYS 99 HD3 LYS 99 -10.324 0.038 -5.349 843 HE2 LYS 99 HE2 LYS 99 -11.731 -1.772 -5.985 844 HE3 LYS 99 HE3 LYS 99 -10.761 -2.420 -4.676 845 HZ1 LYS 99 HZ1 LYS 99 -13.500 -1.360 -4.453 846 HZ2 LYS 99 HZ2 LYS 99 -12.618 -1.977 -3.203 847 HZ3 LYS 99 HZ3 LYS 99 -13.072 -2.952 -4.451 848 H SER 100 HN SER 100 -7.842 -0.505 -1.409 849 HA SER 100 HA SER 100 -5.619 0.748 -2.857 850 HB2 SER 100 HB2 SER 100 -5.072 1.133 -0.447 851 HB3 SER 100 HB3 SER 100 -5.295 -0.564 -0.113 852 HG SER 100 HG SER 100 -3.103 0.017 -0.462 853 H VAL 101 HN VAL 101 -5.208 -0.546 -4.477 854 HA VAL 101 HA VAL 101 -5.549 -3.491 -4.222 855 HB VAL 101 HB VAL 101 -6.291 -1.746 -6.609 856 HG11 VAL 101 HG11 VAL 101 -7.094 -3.890 -7.649 857 HG12 VAL 101 HG12 VAL 101 -5.357 -3.881 -7.447 858 HG13 VAL 101 HG13 VAL 101 -6.365 -4.792 -6.326 859 HG21 VAL 101 HG21 VAL 101 -8.076 -3.366 -4.742 860 HG22 VAL 101 HG22 VAL 101 -8.050 -1.612 -4.920 861 HG23 VAL 101 HG23 VAL 101 -8.603 -2.613 -6.246 862 H THR 102 HN THR 102 -3.439 -3.956 -3.950 863 HA THR 102 HA THR 102 -1.292 -2.948 -5.692 864 HB THR 102 HB THR 102 -1.404 -5.105 -3.532 865 HG1 THR 102 HG1 THR 102 -1.561 -2.983 -2.811 866 HG21 THR 102 HG21 THR 102 0.480 -5.726 -5.047 867 HG22 THR 102 HG22 THR 102 1.114 -5.042 -3.567 868 HG23 THR 102 HG23 THR 102 1.059 -4.060 -5.028 869 H GLU 103 HN GLU 103 -0.346 -4.195 -7.325 870 HA GLU 103 HA GLU 103 -1.473 -6.835 -8.060 871 HB2 GLU 103 HB2 GLU 103 -2.729 -5.230 -9.394 872 HB3 GLU 103 HB3 GLU 103 -1.301 -4.331 -9.786 873 HG2 GLU 103 HG2 GLU 103 -0.455 -6.419 -11.084 874 HG3 GLU 103 HG3 GLU 103 -2.010 -7.148 -10.771 875 H LEU 104 HN LEU 104 0.235 -8.119 -7.870 876 HA LEU 104 HA LEU 104 2.947 -7.333 -8.737 877 HB2 LEU 104 HB2 LEU 104 2.814 -8.687 -6.725 878 HB3 LEU 104 HB3 LEU 104 1.661 -9.754 -7.445 879 HG LEU 104 HG LEU 104 3.490 -10.554 -9.068 880 HD11 LEU 104 HD11 LEU 104 5.240 -8.939 -7.172 881 HD12 LEU 104 HD12 LEU 104 5.137 -8.802 -8.931 882 HD13 LEU 104 HD13 LEU 104 5.850 -10.228 -8.192 883 HD21 LEU 104 HD21 LEU 104 3.131 -11.210 -6.217 884 HD22 LEU 104 HD22 LEU 104 4.676 -11.718 -6.887 885 HD23 LEU 104 HD23 LEU 104 3.179 -12.232 -7.634 886 H ASN 105 HN ASN 105 3.507 -7.524 -10.822 887 HA ASN 105 HA ASN 105 2.431 -9.727 -12.468 888 HB2 ASN 105 HB2 ASN 105 2.489 -6.737 -13.143 889 HB3 ASN 105 HB3 ASN 105 2.825 -7.884 -14.405 890 HD21 ASN 105 HD21 ASN 105 0.387 -8.788 -11.954 891 HD22 ASN 105 HD22 ASN 105 -0.944 -8.668 -13.080 892 H GLY 106 HN GLY 106 4.347 -10.770 -11.708 893 HA2 GLY 106 HA2 GLY 106 6.455 -11.572 -11.970 894 HA3 GLY 106 HA1 GLY 106 6.620 -10.578 -13.409 895 H ASP 107 HN ASP 107 7.994 -8.871 -13.303 896 HA ASP 107 HA ASP 107 9.259 -8.120 -10.753 897 HB2 ASP 107 HB2 ASP 107 10.118 -7.697 -13.640 898 HB3 ASP 107 HB3 ASP 107 10.934 -6.959 -12.302 899 H ILE 108 HN ILE 108 6.539 -6.997 -12.239 900 HA ILE 108 HA ILE 108 7.136 -4.135 -11.581 901 HB ILE 108 HB ILE 108 4.897 -5.261 -13.320 902 HG12 ILE 108 HG12 ILE 108 6.955 -5.741 -14.511 903 HG13 ILE 108 HG13 ILE 108 6.034 -4.518 -15.308 904 HG21 ILE 108 HG21 ILE 108 5.814 -2.372 -12.936 905 HG22 ILE 108 HG22 ILE 108 4.622 -2.907 -14.113 906 HG23 ILE 108 HG23 ILE 108 4.284 -3.060 -12.406 907 HD11 ILE 108 HD11 ILE 108 7.708 -2.949 -15.122 908 HD12 ILE 108 HD12 ILE 108 8.100 -3.372 -13.465 909 HD13 ILE 108 HD13 ILE 108 8.743 -4.331 -14.788 910 H ILE 109 HN ILE 109 5.963 -3.159 -10.040 911 HA ILE 109 HA ILE 109 3.591 -4.539 -8.857 912 HB ILE 109 HB ILE 109 5.642 -2.758 -7.481 913 HG12 ILE 109 HG12 ILE 109 6.523 -4.945 -7.708 914 HG13 ILE 109 HG13 ILE 109 6.159 -4.624 -6.044 915 HG21 ILE 109 HG21 ILE 109 3.477 -2.169 -6.490 916 HG22 ILE 109 HG22 ILE 109 3.033 -3.861 -6.336 917 HG23 ILE 109 HG23 ILE 109 4.336 -3.188 -5.361 918 HD11 ILE 109 HD11 ILE 109 4.999 -6.645 -7.902 919 HD12 ILE 109 HD12 ILE 109 5.264 -6.760 -6.168 920 HD13 ILE 109 HD13 ILE 109 3.832 -5.950 -6.785 921 H THR 110 HN THR 110 1.953 -3.524 -9.880 922 HA THR 110 HA THR 110 1.779 -0.558 -9.935 923 HB THR 110 HB THR 110 -0.076 -2.818 -10.836 924 HG1 THR 110 HG1 THR 110 0.339 -1.924 -12.843 925 HG21 THR 110 HG21 THR 110 -1.601 -0.992 -10.106 926 HG22 THR 110 HG22 THR 110 -1.538 -1.041 -11.852 927 HG23 THR 110 HG23 THR 110 -0.634 0.196 -10.982 928 H ASN 111 HN ASN 111 0.448 0.536 -8.444 929 HA ASN 111 HA ASN 111 -1.258 -0.983 -6.620 930 HB2 ASN 111 HB2 ASN 111 0.887 -0.894 -5.396 931 HB3 ASN 111 HB3 ASN 111 0.992 0.831 -5.633 932 HD21 ASN 111 HD21 ASN 111 -2.139 -0.755 -4.744 933 HD22 ASN 111 HD22 ASN 111 -2.165 -0.124 -3.121 934 H THR 112 HN THR 112 -3.013 -0.223 -7.520 935 HA THR 112 HA THR 112 -3.519 2.639 -7.911 936 HB THR 112 HB THR 112 -5.308 0.159 -8.161 937 HG1 THR 112 HG1 THR 112 -3.690 0.247 -9.689 938 HG21 THR 112 HG21 THR 112 -6.842 1.645 -9.504 939 HG22 THR 112 HG22 THR 112 -5.901 3.048 -9.010 940 HG23 THR 112 HG23 THR 112 -6.800 2.116 -7.818 941 H MET 113 HN MET 113 -4.697 3.891 -6.482 942 HA MET 113 HA MET 113 -6.214 2.572 -4.313 943 HB2 MET 113 HB2 MET 113 -4.539 5.113 -3.996 944 HB3 MET 113 HB3 MET 113 -5.641 4.496 -2.806 945 HG2 MET 113 HG2 MET 113 -3.982 2.292 -3.187 946 HG3 MET 113 HG3 MET 113 -2.877 3.600 -3.481 947 HE1 MET 113 HE1 MET 113 -2.509 5.619 -1.685 948 HE2 MET 113 HE2 MET 113 -4.239 5.853 -1.380 949 HE3 MET 113 HE3 MET 113 -3.135 5.575 -0.029 950 H THR 114 HN THR 114 -8.062 3.794 -3.605 951 HA THR 114 HA THR 114 -8.859 6.057 -5.303 952 HB THR 114 HB THR 114 -10.620 3.581 -4.970 953 HG1 THR 114 HG1 THR 114 -9.002 3.465 -6.572 954 HG21 THR 114 HG21 THR 114 -12.082 5.608 -4.937 955 HG22 THR 114 HG22 THR 114 -12.233 4.776 -6.472 956 HG23 THR 114 HG23 THR 114 -11.260 6.237 -6.360 957 H LEU 115 HN LEU 115 -8.893 7.554 -3.730 958 HA LEU 115 HA LEU 115 -10.488 7.096 -1.248 959 HB2 LEU 115 HB2 LEU 115 -8.147 7.893 -1.020 960 HB3 LEU 115 HB3 LEU 115 -8.486 9.307 -1.962 961 HG LEU 115 HG LEU 115 -9.845 8.598 0.675 962 HD11 LEU 115 HD11 LEU 115 -8.003 10.917 0.738 963 HD12 LEU 115 HD12 LEU 115 -7.189 9.406 0.405 964 HD13 LEU 115 HD13 LEU 115 -8.166 9.568 1.853 965 HD21 LEU 115 HD21 LEU 115 -10.210 11.019 -1.082 966 HD22 LEU 115 HD22 LEU 115 -10.243 11.248 0.652 967 HD23 LEU 115 HD23 LEU 115 -11.381 10.151 -0.084 968 H GLY 116 HN GLY 116 -12.588 7.519 -1.713 969 HA2 GLY 116 HA2 GLY 116 -14.463 8.730 -2.075 970 HA3 GLY 116 HA1 GLY 116 -13.465 10.159 -1.942 971 H ASP 117 HN ASP 117 -12.589 11.119 -3.872 972 HA ASP 117 HA ASP 117 -13.647 10.266 -6.493 973 HB2 ASP 117 HB2 ASP 117 -15.141 12.050 -5.370 974 HB3 ASP 117 HB3 ASP 117 -13.766 13.140 -5.476 975 H ILE 118 HN ILE 118 -11.090 9.795 -5.358 976 HA ILE 118 HA ILE 118 -9.335 11.260 -7.275 977 HB ILE 118 HB ILE 118 -8.569 10.337 -4.449 978 HG12 ILE 118 HG12 ILE 118 -10.008 12.328 -4.210 979 HG13 ILE 118 HG13 ILE 118 -8.391 12.542 -3.647 980 HG21 ILE 118 HG21 ILE 118 -6.910 11.841 -6.513 981 HG22 ILE 118 HG22 ILE 118 -6.465 11.582 -4.834 982 HG23 ILE 118 HG23 ILE 118 -6.621 10.212 -5.902 983 HD11 ILE 118 HD11 ILE 118 -9.459 14.473 -5.042 984 HD12 ILE 118 HD12 ILE 118 -7.796 14.029 -5.409 985 HD13 ILE 118 HD13 ILE 118 -9.107 13.489 -6.457 986 H VAL 119 HN VAL 119 -8.015 9.823 -8.419 987 HA VAL 119 HA VAL 119 -7.923 6.967 -7.535 988 HB VAL 119 HB VAL 119 -8.283 7.963 -10.394 989 HG11 VAL 119 HG11 VAL 119 -8.464 5.521 -10.973 990 HG12 VAL 119 HG12 VAL 119 -6.860 5.933 -10.420 991 HG13 VAL 119 HG13 VAL 119 -7.975 5.109 -9.335 992 HG21 VAL 119 HG21 VAL 119 -10.223 6.425 -8.616 993 HG22 VAL 119 HG22 VAL 119 -10.431 8.074 -9.200 994 HG23 VAL 119 HG23 VAL 119 -10.451 6.739 -10.334 995 H PHE 120 HN PHE 120 -5.940 7.255 -6.590 996 HA PHE 120 HA PHE 120 -3.622 8.280 -8.044 997 HB2 PHE 120 HB2 PHE 120 -3.834 8.672 -5.670 998 HB3 PHE 120 HB3 PHE 120 -4.079 6.994 -5.313 999 HD1 PHE 120 HD1 PHE 120 -2.195 5.678 -4.619 1000 HD2 PHE 120 HD2 PHE 120 -1.545 9.305 -6.862 1001 HE1 PHE 120 HE1 PHE 120 0.235 5.477 -4.276 1002 HE2 PHE 120 HE2 PHE 120 0.874 9.034 -6.555 1003 HZ PHE 120 HZ PHE 120 1.765 7.172 -5.213 1004 H LYS 121 HN LYS 121 -1.957 7.045 -8.936 1005 HA LYS 121 HA LYS 121 -1.908 4.148 -8.445 1006 HB2 LYS 121 HB2 LYS 121 -1.685 5.350 -11.256 1007 HB3 LYS 121 HB3 LYS 121 -1.125 3.776 -10.832 1008 HG2 LYS 121 HG2 LYS 121 -3.103 2.847 -11.130 1009 HG3 LYS 121 HG3 LYS 121 -3.808 3.812 -9.894 1010 HD2 LYS 121 HD2 LYS 121 -5.147 4.657 -11.481 1011 HD3 LYS 121 HD3 LYS 121 -3.813 5.651 -11.966 1012 HE2 LYS 121 HE2 LYS 121 -4.554 2.927 -13.156 1013 HE3 LYS 121 HE3 LYS 121 -4.798 4.487 -13.916 1014 HZ1 LYS 121 HZ1 LYS 121 -2.178 3.350 -13.233 1015 HZ2 LYS 121 HZ2 LYS 121 -2.441 4.791 -13.997 1016 HZ3 LYS 121 HZ3 LYS 121 -2.859 3.380 -14.735 1017 H ARG 122 HN ARG 122 0.130 3.246 -8.516 1018 HA ARG 122 HA ARG 122 2.475 4.951 -8.921 1019 HB2 ARG 122 HB2 ARG 122 2.111 5.412 -6.647 1020 HB3 ARG 122 HB3 ARG 122 1.608 3.786 -6.261 1021 HG2 ARG 122 HG2 ARG 122 3.964 2.958 -6.495 1022 HG3 ARG 122 HG3 ARG 122 4.417 4.551 -7.046 1023 HD2 ARG 122 HD2 ARG 122 4.339 5.533 -5.026 1024 HD3 ARG 122 HD3 ARG 122 3.093 4.534 -4.329 1025 HE ARG 122 HE ARG 122 6.022 4.237 -4.427 1026 HH11 ARG 122 HH11 ARG 122 3.014 2.351 -4.054 1027 HH12 ARG 122 HH12 ARG 122 3.810 1.005 -3.287 1028 HH21 ARG 122 HH21 ARG 122 7.038 2.433 -3.428 1029 HH22 ARG 122 HH22 ARG 122 6.100 1.063 -2.929 1030 H ILE 123 HN ILE 123 3.944 3.865 -9.996 1031 HA ILE 123 HA ILE 123 3.712 0.901 -10.260 1032 HB ILE 123 HB ILE 123 4.778 2.918 -12.297 1033 HG12 ILE 123 HG12 ILE 123 2.668 1.994 -13.601 1034 HG13 ILE 123 HG13 ILE 123 2.032 1.644 -12.028 1035 HG21 ILE 123 HG21 ILE 123 4.248 -0.080 -12.551 1036 HG22 ILE 123 HG22 ILE 123 4.740 0.982 -13.864 1037 HG23 ILE 123 HG23 ILE 123 5.835 0.684 -12.537 1038 HD11 ILE 123 HD11 ILE 123 2.967 4.404 -11.961 1039 HD12 ILE 123 HD12 ILE 123 2.133 4.172 -13.481 1040 HD13 ILE 123 HD13 ILE 123 1.302 3.837 -11.967 1041 H SER 124 HN SER 124 5.433 -0.196 -9.615 1042 HA SER 124 HA SER 124 8.116 1.072 -9.341 1043 HB2 SER 124 HB2 SER 124 6.583 -0.762 -7.398 1044 HB3 SER 124 HB3 SER 124 8.300 -0.449 -7.263 1045 HG SER 124 HG SER 124 6.212 1.447 -7.132 1046 H LYS 125 HN LYS 125 9.883 -0.507 -9.489 1047 HA LYS 125 HA LYS 125 9.242 -3.029 -10.898 1048 HB2 LYS 125 HB2 LYS 125 9.406 -1.339 -12.657 1049 HB3 LYS 125 HB3 LYS 125 10.905 -0.736 -12.001 1050 HG2 LYS 125 HG2 LYS 125 12.088 -2.801 -12.596 1051 HG3 LYS 125 HG3 LYS 125 10.603 -3.547 -13.130 1052 HD2 LYS 125 HD2 LYS 125 10.370 -1.829 -14.922 1053 HD3 LYS 125 HD3 LYS 125 11.800 -1.009 -14.362 1054 HE2 LYS 125 HE2 LYS 125 11.752 -3.880 -15.446 1055 HE3 LYS 125 HE3 LYS 125 12.211 -2.464 -16.372 1056 HZ1 LYS 125 HZ1 LYS 125 14.003 -2.083 -14.848 1057 HZ2 LYS 125 HZ2 LYS 125 14.109 -3.585 -15.520 1058 HZ3 LYS 125 HZ3 LYS 125 13.587 -3.413 -13.965 1059 H ARG 126 HN ARG 126 10.729 -4.618 -10.672 1060 HA ARG 126 HA ARG 126 12.149 -4.900 -8.384 1061 HB2 ARG 126 HB2 ARG 126 11.333 -6.646 -10.067 1062 HB3 ARG 126 HB3 ARG 126 12.754 -6.294 -11.004 1063 HG2 ARG 126 HG2 ARG 126 13.605 -8.009 -9.919 1064 HG3 ARG 126 HG3 ARG 126 14.024 -6.957 -8.629 1065 HD2 ARG 126 HD2 ARG 126 12.851 -8.710 -7.464 1066 HD3 ARG 126 HD3 ARG 126 11.507 -7.658 -7.844 1067 HE ARG 126 HE ARG 126 11.874 -9.303 -10.082 1068 HH11 ARG 126 HH11 ARG 126 10.599 -9.495 -6.758 1069 HH12 ARG 126 HH12 ARG 126 9.496 -10.784 -7.134 1070 HH21 ARG 126 HH21 ARG 126 10.331 -10.864 -10.583 1071 HH22 ARG 126 HH22 ARG 126 9.333 -11.564 -9.332 1072 H ILE 127 HN ILE 127 14.252 -4.786 -7.656 1073 HA ILE 127 HA ILE 127 16.150 -3.107 -9.196 1074 HB ILE 127 HB ILE 127 16.415 -3.910 -6.279 1075 HG12 ILE 127 HG12 ILE 127 14.954 -1.484 -7.354 1076 HG13 ILE 127 HG13 ILE 127 14.223 -2.812 -6.505 1077 HG21 ILE 127 HG21 ILE 127 17.553 -1.532 -7.842 1078 HG22 ILE 127 HG22 ILE 127 17.868 -1.887 -6.149 1079 HG23 ILE 127 HG23 ILE 127 18.468 -2.962 -7.383 1080 HD11 ILE 127 HD11 ILE 127 16.071 -2.070 -4.613 1081 HD12 ILE 127 HD12 ILE 127 15.718 -0.518 -5.368 1082 HD13 ILE 127 HD13 ILE 127 14.419 -1.485 -4.677 Start of MODEL 8 1 H1 HIS -7 HN HIS -7 13.417 -22.412 -8.452 2 HA HIS -7 HA HIS -7 12.872 -24.330 -7.412 3 HB2 HIS -7 HB2 HIS -7 14.904 -24.121 -5.665 4 HB3 HIS -7 HB3 HIS -7 13.918 -23.018 -4.748 5 HD1 HIS -7 HD1 HIS -7 13.576 -26.612 -6.121 6 HD2 HIS -7 HD2 HIS -7 12.633 -24.412 -2.642 7 HE1 HIS -7 HE1 HIS -7 12.547 -28.186 -4.435 8 H HIS -6 HN HIS -6 10.867 -24.740 -6.552 9 HA HIS -6 HA HIS -6 9.230 -22.366 -5.776 10 HB2 HIS -6 HB2 HIS -6 8.303 -24.883 -7.236 11 HB3 HIS -6 HB3 HIS -6 7.371 -23.443 -6.920 12 HD1 HIS -6 HD1 HIS -6 8.522 -21.136 -8.131 13 HD2 HIS -6 HD2 HIS -6 9.463 -24.897 -9.794 14 HE1 HIS -6 HE1 HIS -6 9.414 -20.775 -10.469 15 H HIS -5 HN HIS -5 7.697 -22.700 -4.125 16 HA HIS -5 HA HIS -5 7.756 -25.108 -2.468 17 HB2 HIS -5 HB2 HIS -5 8.765 -23.778 -0.522 18 HB3 HIS -5 HB3 HIS -5 9.867 -24.313 -1.747 19 HD1 HIS -5 HD1 HIS -5 10.907 -22.471 -3.381 20 HD2 HIS -5 HD2 HIS -5 8.640 -20.900 -0.190 21 HE1 HIS -5 HE1 HIS -5 11.404 -20.003 -3.192 22 H HIS -4 HN HIS -4 5.519 -24.966 -3.017 23 HA HIS -4 HA HIS -4 4.012 -23.328 -1.121 24 HB2 HIS -4 HB2 HIS -4 2.435 -22.563 -2.979 25 HB3 HIS -4 HB3 HIS -4 3.966 -21.754 -2.889 26 HD1 HIS -4 HD1 HIS -4 2.459 -24.680 -4.903 27 HD2 HIS -4 HD2 HIS -4 5.231 -21.531 -5.359 28 HE1 HIS -4 HE1 HIS -4 3.243 -24.649 -7.307 29 H HIS -3 HN HIS -3 1.837 -23.940 -0.894 30 HA HIS -3 HA HIS -3 1.435 -26.867 -1.187 31 HB2 HIS -3 HB2 HIS -3 -0.005 -26.548 0.831 32 HB3 HIS -3 HB3 HIS -3 1.662 -26.135 1.098 33 HD1 HIS -3 HD1 HIS -3 -1.681 -24.847 1.659 34 HD2 HIS -3 HD2 HIS -3 2.083 -23.057 1.002 35 HE1 HIS -3 HE1 HIS -3 -1.814 -22.422 2.357 36 H HIS -2 HN HIS -2 -0.657 -23.970 -0.826 37 HA HIS -2 HA HIS -2 -1.907 -24.313 -3.407 38 HB2 HIS -2 HB2 HIS -2 -3.314 -25.861 -2.079 39 HB3 HIS -2 HB3 HIS -2 -3.581 -24.645 -0.864 40 HD1 HIS -2 HD1 HIS -2 -5.061 -22.492 -1.655 41 HD2 HIS -2 HD2 HIS -2 -5.102 -25.766 -4.307 42 HE1 HIS -2 HE1 HIS -2 -6.998 -22.191 -3.262 43 H VAL -1 HN VAL -1 -0.745 -22.426 -3.684 44 HA VAL -1 HA VAL -1 -2.303 -20.106 -3.155 45 HB VAL -1 HB VAL -1 -0.313 -18.659 -2.473 46 HG11 VAL -1 HG11 VAL -1 -0.730 -18.728 -0.145 47 HG12 VAL -1 HG12 VAL -1 -2.242 -19.124 -0.949 48 HG13 VAL -1 HG13 VAL -1 -1.273 -20.390 -0.188 49 HG21 VAL -1 HG21 VAL -1 1.627 -20.131 -2.648 50 HG22 VAL -1 HG22 VAL -1 1.426 -19.657 -0.983 51 HG23 VAL -1 HG23 VAL -1 0.927 -21.262 -1.484 52 H ALA 0 HN ALA 0 0.890 -21.293 -4.262 53 HA ALA 0 HA ALA 0 2.256 -20.820 -5.910 54 HB1 ALA 0 HB1 ALA 0 -0.058 -19.601 -7.513 55 HB2 ALA 0 HB2 ALA 0 1.497 -20.130 -8.135 56 HB3 ALA 0 HB3 ALA 0 0.363 -21.312 -7.504 57 H MET 1 HN MET 1 3.366 -18.948 -7.078 58 HA MET 1 HA MET 1 4.420 -16.998 -7.015 59 HB2 MET 1 HB2 MET 1 1.652 -15.925 -6.222 60 HB3 MET 1 HB3 MET 1 2.973 -14.889 -6.572 61 HG2 MET 1 HG2 MET 1 2.601 -16.867 -8.741 62 HG3 MET 1 HG3 MET 1 1.169 -15.929 -8.426 63 HE1 MET 1 HE1 MET 1 5.019 -15.754 -9.296 64 HE2 MET 1 HE2 MET 1 5.254 -14.022 -9.569 65 HE3 MET 1 HE3 MET 1 4.952 -14.618 -7.937 66 H SER 2 HN SER 2 4.882 -14.895 -5.689 67 HA SER 2 HA SER 2 4.445 -14.769 -2.941 68 HB2 SER 2 HB2 SER 2 6.159 -16.618 -2.740 69 HB3 SER 2 HB3 SER 2 7.300 -15.659 -3.660 70 HG SER 2 HG SER 2 7.618 -15.457 -1.433 71 H PHE 3 HN PHE 3 4.925 -12.705 -2.248 72 HA PHE 3 HA PHE 3 5.623 -10.749 -4.319 73 HB2 PHE 3 HB2 PHE 3 4.469 -10.533 -1.517 74 HB3 PHE 3 HB3 PHE 3 4.869 -9.151 -2.489 75 HD1 PHE 3 HD1 PHE 3 3.309 -8.212 -3.992 76 HD2 PHE 3 HD2 PHE 3 2.760 -12.275 -2.641 77 HE1 PHE 3 HE1 PHE 3 1.097 -8.299 -5.071 78 HE2 PHE 3 HE2 PHE 3 0.574 -12.332 -3.755 79 HZ PHE 3 HZ PHE 3 -0.270 -10.343 -4.944 80 H SER 4 HN SER 4 7.603 -12.518 -2.394 81 HA SER 4 HA SER 4 9.263 -10.664 -1.092 82 HB2 SER 4 HB2 SER 4 10.780 -12.557 -0.845 83 HB3 SER 4 HB3 SER 4 9.131 -13.014 -0.488 84 HG SER 4 HG SER 4 10.505 -13.476 -2.928 85 H GLY 5 HN GLY 5 10.303 -9.013 -1.916 86 HA2 GLY 5 HA2 GLY 5 12.587 -9.236 -3.513 87 HA3 GLY 5 HA1 GLY 5 11.271 -8.799 -4.605 88 H LYS 6 HN LYS 6 13.303 -7.013 -4.312 89 HA LYS 6 HA LYS 6 12.078 -4.720 -2.842 90 HB2 LYS 6 HB2 LYS 6 14.348 -5.494 -1.942 91 HB3 LYS 6 HB3 LYS 6 15.019 -5.140 -3.510 92 HG2 LYS 6 HG2 LYS 6 13.900 -2.697 -3.024 93 HG3 LYS 6 HG3 LYS 6 13.968 -3.248 -1.388 94 HD2 LYS 6 HD2 LYS 6 16.333 -3.073 -3.294 95 HD3 LYS 6 HD3 LYS 6 15.933 -1.867 -2.111 96 HE2 LYS 6 HE2 LYS 6 16.741 -4.760 -1.456 97 HE3 LYS 6 HE3 LYS 6 17.806 -3.371 -1.412 98 HZ1 LYS 6 HZ1 LYS 6 16.379 -2.401 0.266 99 HZ2 LYS 6 HZ2 LYS 6 17.028 -3.841 0.735 100 HZ3 LYS 6 HZ3 LYS 6 15.450 -3.769 0.292 101 H TYR 7 HN TYR 7 11.823 -2.863 -4.012 102 HA TYR 7 HA TYR 7 12.269 -2.907 -6.944 103 HB2 TYR 7 HB2 TYR 7 9.644 -2.081 -5.642 104 HB3 TYR 7 HB3 TYR 7 9.947 -2.462 -7.315 105 HD1 TYR 7 HD1 TYR 7 9.981 -4.865 -8.053 106 HD2 TYR 7 HD2 TYR 7 9.199 -3.770 -3.955 107 HE1 TYR 7 HE1 TYR 7 9.239 -7.177 -7.579 108 HE2 TYR 7 HE2 TYR 7 8.432 -6.075 -3.490 109 HH TYR 7 HH TYR 7 8.115 -8.216 -4.331 110 H GLN 8 HN GLN 8 11.978 -0.832 -7.963 111 HA GLN 8 HA GLN 8 12.348 1.551 -6.192 112 HB2 GLN 8 HB2 GLN 8 13.905 2.437 -7.791 113 HB3 GLN 8 HB3 GLN 8 14.445 0.862 -7.330 114 HG2 GLN 8 HG2 GLN 8 13.104 0.114 -9.573 115 HG3 GLN 8 HG3 GLN 8 13.307 1.790 -9.987 116 HE21 GLN 8 HE21 GLN 8 14.595 -1.204 -10.459 117 HE22 GLN 8 HE22 GLN 8 16.262 -0.779 -10.737 118 H LEU 9 HN LEU 9 11.148 3.347 -6.759 119 HA LEU 9 HA LEU 9 8.752 3.037 -8.242 120 HB2 LEU 9 HB2 LEU 9 8.903 4.538 -6.367 121 HB3 LEU 9 HB3 LEU 9 10.251 5.387 -7.045 122 HG LEU 9 HG LEU 9 8.841 6.380 -8.795 123 HD11 LEU 9 HD11 LEU 9 6.867 4.370 -7.928 124 HD12 LEU 9 HD12 LEU 9 6.942 5.337 -9.392 125 HD13 LEU 9 HD13 LEU 9 6.189 5.979 -7.963 126 HD21 LEU 9 HD21 LEU 9 8.649 8.070 -7.346 127 HD22 LEU 9 HD22 LEU 9 8.704 6.977 -5.971 128 HD23 LEU 9 HD23 LEU 9 7.177 7.389 -6.688 129 H GLN 10 HN GLN 10 8.117 3.662 -10.274 130 HA GLN 10 HA GLN 10 10.231 4.531 -12.207 131 HB2 GLN 10 HB2 GLN 10 7.968 2.515 -12.576 132 HB3 GLN 10 HB3 GLN 10 9.005 3.067 -13.851 133 HG2 GLN 10 HG2 GLN 10 10.008 1.529 -11.391 134 HG3 GLN 10 HG3 GLN 10 9.567 0.806 -12.906 135 HE21 GLN 10 HE21 GLN 10 11.907 3.080 -11.401 136 HE22 GLN 10 HE22 GLN 10 13.155 2.826 -12.597 137 H SER 11 HN SER 11 6.702 4.532 -11.437 138 HA SER 11 HA SER 11 6.417 7.206 -12.559 139 HB2 SER 11 HB2 SER 11 5.425 4.709 -14.003 140 HB3 SER 11 HB3 SER 11 4.381 6.112 -13.994 141 HG SER 11 HG SER 11 7.076 6.140 -14.826 142 H GLN 12 HN GLN 12 4.363 8.172 -12.144 143 HA GLN 12 HA GLN 12 2.614 6.822 -10.166 144 HB2 GLN 12 HB2 GLN 12 3.666 9.693 -9.871 145 HB3 GLN 12 HB3 GLN 12 2.551 8.870 -8.810 146 HG2 GLN 12 HG2 GLN 12 4.387 7.177 -8.327 147 HG3 GLN 12 HG3 GLN 12 5.516 8.196 -9.186 148 HE21 GLN 12 HE21 GLN 12 5.696 10.545 -8.366 149 HE22 GLN 12 HE22 GLN 12 5.580 10.773 -6.641 150 H GLU 13 HN GLU 13 0.486 7.699 -10.114 151 HA GLU 13 HA GLU 13 -0.267 9.682 -12.213 152 HB2 GLU 13 HB2 GLU 13 -1.903 7.250 -11.437 153 HB3 GLU 13 HB3 GLU 13 -2.317 8.430 -12.633 154 HG2 GLU 13 HG2 GLU 13 -0.476 7.645 -14.120 155 HG3 GLU 13 HG3 GLU 13 0.025 6.473 -12.917 156 H ASN 14 HN ASN 14 -1.845 11.116 -11.510 157 HA ASN 14 HA ASN 14 -2.924 12.413 -10.178 158 HB2 ASN 14 HB2 ASN 14 -4.005 9.672 -9.502 159 HB3 ASN 14 HB3 ASN 14 -4.475 10.879 -8.365 160 HD21 ASN 14 HD21 ASN 14 -6.093 9.383 -10.346 161 HD22 ASN 14 HD22 ASN 14 -6.995 10.642 -11.161 162 H PHE 15 HN PHE 15 -0.190 11.663 -9.186 163 HA PHE 15 HA PHE 15 -0.098 11.377 -6.429 164 HB2 PHE 15 HB2 PHE 15 1.835 10.974 -7.825 165 HB3 PHE 15 HB3 PHE 15 1.910 12.635 -8.333 166 HD1 PHE 15 HD1 PHE 15 2.754 14.405 -6.768 167 HD2 PHE 15 HD2 PHE 15 2.551 10.278 -5.523 168 HE1 PHE 15 HE1 PHE 15 4.067 14.914 -4.775 169 HE2 PHE 15 HE2 PHE 15 3.930 10.817 -3.572 170 HZ PHE 15 HZ PHE 15 4.674 13.135 -3.177 171 H GLU 16 HN GLU 16 0.255 14.543 -8.162 172 HA GLU 16 HA GLU 16 0.282 16.055 -5.770 173 HB2 GLU 16 HB2 GLU 16 -0.446 16.965 -8.586 174 HB3 GLU 16 HB3 GLU 16 -0.041 18.007 -7.249 175 HG2 GLU 16 HG2 GLU 16 2.256 16.834 -7.148 176 HG3 GLU 16 HG3 GLU 16 1.835 16.015 -8.630 177 H ALA 17 HN ALA 17 -2.446 15.122 -7.911 178 HA ALA 17 HA ALA 17 -4.465 16.698 -6.729 179 HB1 ALA 17 HB1 ALA 17 -4.724 15.560 -8.910 180 HB2 ALA 17 HB2 ALA 17 -4.647 13.981 -8.138 181 HB3 ALA 17 HB3 ALA 17 -6.005 15.053 -7.820 182 H PHE 18 HN PHE 18 -3.467 13.309 -6.014 183 HA PHE 18 HA PHE 18 -5.265 12.872 -3.874 184 HB2 PHE 18 HB2 PHE 18 -4.354 11.025 -5.080 185 HB3 PHE 18 HB3 PHE 18 -2.710 11.505 -4.775 186 HD1 PHE 18 HD1 PHE 18 -1.580 10.942 -2.689 187 HD2 PHE 18 HD2 PHE 18 -5.774 10.074 -3.191 188 HE1 PHE 18 HE1 PHE 18 -1.560 9.590 -0.633 189 HE2 PHE 18 HE2 PHE 18 -5.713 8.723 -1.125 190 HZ PHE 18 HZ PHE 18 -3.622 8.482 0.143 191 H MET 19 HN MET 19 -1.803 13.877 -3.832 192 HA MET 19 HA MET 19 -1.552 13.838 -1.023 193 HB2 MET 19 HB2 MET 19 0.112 15.202 -3.148 194 HB3 MET 19 HB3 MET 19 0.520 15.162 -1.445 195 HG2 MET 19 HG2 MET 19 0.129 12.632 -3.089 196 HG3 MET 19 HG3 MET 19 1.672 13.396 -2.811 197 HE1 MET 19 HE1 MET 19 0.720 10.434 -2.378 198 HE2 MET 19 HE2 MET 19 2.381 10.734 -1.844 199 HE3 MET 19 HE3 MET 19 1.226 9.939 -0.766 200 H LYS 20 HN LYS 20 -2.502 16.526 -3.212 201 HA LYS 20 HA LYS 20 -2.562 18.476 -1.069 202 HB2 LYS 20 HB2 LYS 20 -3.715 18.474 -3.888 203 HB3 LYS 20 HB3 LYS 20 -3.782 19.847 -2.830 204 HG2 LYS 20 HG2 LYS 20 -1.177 18.533 -3.753 205 HG3 LYS 20 HG3 LYS 20 -1.898 19.901 -4.526 206 HD2 LYS 20 HD2 LYS 20 -0.857 19.810 -1.641 207 HD3 LYS 20 HD3 LYS 20 0.024 20.422 -2.993 208 HE2 LYS 20 HE2 LYS 20 -2.591 21.625 -1.938 209 HE3 LYS 20 HE3 LYS 20 -0.982 22.244 -1.638 210 HZ1 LYS 20 HZ1 LYS 20 -2.227 22.019 -4.280 211 HZ2 LYS 20 HZ2 LYS 20 -0.712 22.598 -3.981 212 HZ3 LYS 20 HZ3 LYS 20 -2.031 23.405 -3.409 213 H ALA 21 HN ALA 21 -4.868 16.083 -2.306 214 HA ALA 21 HA ALA 21 -7.175 17.224 -1.008 215 HB1 ALA 21 HB1 ALA 21 -8.247 15.064 -1.634 216 HB2 ALA 21 HB2 ALA 21 -7.422 15.818 -2.988 217 HB3 ALA 21 HB3 ALA 21 -6.691 14.441 -2.170 218 H ILE 22 HN ILE 22 -4.711 14.781 -0.016 219 HA ILE 22 HA ILE 22 -6.051 14.336 2.554 220 HB ILE 22 HB ILE 22 -4.059 13.045 3.177 221 HG12 ILE 22 HG12 ILE 22 -3.046 13.387 0.374 222 HG13 ILE 22 HG13 ILE 22 -2.378 14.297 1.691 223 HG21 ILE 22 HG21 ILE 22 -4.486 11.120 1.733 224 HG22 ILE 22 HG22 ILE 22 -5.983 11.954 2.105 225 HG23 ILE 22 HG23 ILE 22 -5.227 12.157 0.520 226 HD11 ILE 22 HD11 ILE 22 -2.125 11.342 1.112 227 HD12 ILE 22 HD12 ILE 22 -0.887 12.488 1.595 228 HD13 ILE 22 HD13 ILE 22 -2.018 11.868 2.792 229 H GLY 23 HN GLY 23 -4.207 16.890 1.329 230 HA2 GLY 23 HA2 GLY 23 -3.874 18.868 2.405 231 HA3 GLY 23 HA1 GLY 23 -4.271 18.139 3.944 232 H LEU 24 HN LEU 24 -1.650 16.882 1.808 233 HA LEU 24 HA LEU 24 0.355 17.240 3.851 234 HB2 LEU 24 HB2 LEU 24 0.175 16.068 1.080 235 HB3 LEU 24 HB3 LEU 24 1.745 16.536 1.573 236 HG LEU 24 HG LEU 24 0.931 14.135 1.936 237 HD11 LEU 24 HD11 LEU 24 2.723 13.744 3.255 238 HD12 LEU 24 HD12 LEU 24 2.294 14.951 4.460 239 HD13 LEU 24 HD13 LEU 24 3.063 15.434 2.960 240 HD21 LEU 24 HD21 LEU 24 0.021 14.902 4.709 241 HD22 LEU 24 HD22 LEU 24 -0.297 13.452 3.770 242 HD23 LEU 24 HD23 LEU 24 -1.145 14.933 3.406 243 HA PRO 25 HA PRO 25 1.722 21.330 2.687 244 HB2 PRO 25 HB2 PRO 25 4.313 21.341 3.606 245 HB3 PRO 25 HB3 PRO 25 2.926 21.243 4.679 246 HG2 PRO 25 HG2 PRO 25 4.587 18.946 3.624 247 HG3 PRO 25 HG3 PRO 25 4.217 19.280 5.313 248 HD2 PRO 25 HD2 PRO 25 2.732 17.509 3.893 249 HD3 PRO 25 HD3 PRO 25 1.918 18.610 5.011 250 H GLU 26 HN GLU 26 2.826 22.481 1.087 251 HA GLU 26 HA GLU 26 3.233 21.308 -1.348 252 HB2 GLU 26 HB2 GLU 26 2.632 23.595 -1.075 253 HB3 GLU 26 HB3 GLU 26 4.090 23.994 -0.236 254 HG2 GLU 26 HG2 GLU 26 4.345 22.987 -3.100 255 HG3 GLU 26 HG3 GLU 26 3.654 24.560 -2.846 256 H GLU 27 HN GLU 27 5.764 21.854 1.084 257 HA GLU 27 HA GLU 27 8.072 21.203 -0.329 258 HB2 GLU 27 HB2 GLU 27 8.107 22.027 1.948 259 HB3 GLU 27 HB3 GLU 27 7.203 20.667 2.544 260 HG2 GLU 27 HG2 GLU 27 9.210 19.156 1.913 261 HG3 GLU 27 HG3 GLU 27 10.078 20.606 1.474 262 H LEU 28 HN LEU 28 5.990 18.915 1.522 263 HA LEU 28 HA LEU 28 7.378 16.583 0.731 264 HB2 LEU 28 HB2 LEU 28 4.801 17.137 2.205 265 HB3 LEU 28 HB3 LEU 28 5.117 15.534 1.634 266 HG LEU 28 HG LEU 28 7.285 15.450 2.789 267 HD11 LEU 28 HD11 LEU 28 6.851 18.292 3.376 268 HD12 LEU 28 HD12 LEU 28 8.289 17.308 3.585 269 HD13 LEU 28 HD13 LEU 28 7.076 17.386 4.849 270 HD21 LEU 28 HD21 LEU 28 4.930 15.961 4.642 271 HD22 LEU 28 HD22 LEU 28 6.371 15.020 5.015 272 HD23 LEU 28 HD23 LEU 28 5.258 14.455 3.784 273 H ILE 29 HN ILE 29 4.722 18.297 -0.901 274 HA ILE 29 HA ILE 29 4.199 16.096 -2.721 275 HB ILE 29 HB ILE 29 3.457 19.045 -2.868 276 HG12 ILE 29 HG12 ILE 29 1.112 17.808 -3.070 277 HG13 ILE 29 HG13 ILE 29 1.978 16.444 -2.446 278 HG21 ILE 29 HG21 ILE 29 2.155 18.540 -4.945 279 HG22 ILE 29 HG22 ILE 29 3.854 18.336 -5.256 280 HG23 ILE 29 HG23 ILE 29 2.844 16.923 -4.982 281 HD11 ILE 29 HD11 ILE 29 1.848 19.156 -1.028 282 HD12 ILE 29 HD12 ILE 29 0.702 17.851 -0.750 283 HD13 ILE 29 HD13 ILE 29 2.394 17.618 -0.342 284 H GLN 30 HN GLN 30 6.034 19.233 -3.065 285 HA GLN 30 HA GLN 30 6.930 18.580 -5.650 286 HB2 GLN 30 HB2 GLN 30 7.957 20.625 -3.630 287 HB3 GLN 30 HB3 GLN 30 8.518 20.545 -5.274 288 HG2 GLN 30 HG2 GLN 30 5.697 21.235 -4.348 289 HG3 GLN 30 HG3 GLN 30 6.839 22.290 -5.123 290 HE21 GLN 30 HE21 GLN 30 4.048 20.622 -5.650 291 HE22 GLN 30 HE22 GLN 30 4.167 20.293 -7.357 292 H LYS 31 HN LYS 31 8.534 17.877 -2.545 293 HA LYS 31 HA LYS 31 10.892 16.802 -3.915 294 HB2 LYS 31 HB2 LYS 31 11.810 16.465 -1.794 295 HB3 LYS 31 HB3 LYS 31 10.988 17.984 -1.727 296 HG2 LYS 31 HG2 LYS 31 10.298 17.131 0.283 297 HG3 LYS 31 HG3 LYS 31 9.000 16.544 -0.703 298 HD2 LYS 31 HD2 LYS 31 9.482 14.368 -0.406 299 HD3 LYS 31 HD3 LYS 31 11.191 14.574 -0.629 300 HE2 LYS 31 HE2 LYS 31 9.695 15.273 1.956 301 HE3 LYS 31 HE3 LYS 31 10.551 13.771 1.672 302 HZ1 LYS 31 HZ1 LYS 31 12.560 15.013 1.346 303 HZ2 LYS 31 HZ2 LYS 31 11.917 15.281 2.834 304 HZ3 LYS 31 HZ3 LYS 31 11.776 16.436 1.658 305 H GLY 32 HN GLY 32 7.719 15.610 -3.017 306 HA2 GLY 32 HA2 GLY 32 8.482 12.798 -2.750 307 HA3 GLY 32 HA1 GLY 32 6.874 13.486 -2.747 308 H LYS 33 HN LYS 33 7.047 14.941 -5.293 309 HA LYS 33 HA LYS 33 6.853 12.781 -7.248 310 HB2 LYS 33 HB2 LYS 33 6.212 14.588 -8.823 311 HB3 LYS 33 HB3 LYS 33 5.186 14.430 -7.453 312 HG2 LYS 33 HG2 LYS 33 5.430 16.561 -6.878 313 HG3 LYS 33 HG3 LYS 33 7.156 16.417 -6.744 314 HD2 LYS 33 HD2 LYS 33 5.701 16.951 -9.364 315 HD3 LYS 33 HD3 LYS 33 6.304 18.200 -8.312 316 HE2 LYS 33 HE2 LYS 33 8.648 17.231 -8.561 317 HE3 LYS 33 HE3 LYS 33 8.015 16.078 -9.724 318 HZ1 LYS 33 HZ1 LYS 33 7.307 17.927 -11.071 319 HZ2 LYS 33 HZ2 LYS 33 8.930 17.994 -10.777 320 HZ3 LYS 33 HZ3 LYS 33 7.901 19.000 -9.968 321 H ASP 34 HN ASP 34 9.294 15.132 -6.255 322 HA ASP 34 HA ASP 34 10.931 14.830 -8.627 323 HB2 ASP 34 HB2 ASP 34 11.104 16.911 -7.316 324 HB3 ASP 34 HB3 ASP 34 11.540 16.027 -5.897 325 H ILE 35 HN ILE 35 11.489 13.864 -5.178 326 HA ILE 35 HA ILE 35 13.620 12.108 -5.892 327 HB ILE 35 HB ILE 35 12.144 12.357 -3.238 328 HG12 ILE 35 HG12 ILE 35 14.790 13.608 -4.086 329 HG13 ILE 35 HG13 ILE 35 13.289 14.479 -4.071 330 HG21 ILE 35 HG21 ILE 35 14.228 11.319 -2.250 331 HG22 ILE 35 HG22 ILE 35 13.331 10.206 -3.250 332 HG23 ILE 35 HG23 ILE 35 14.788 10.971 -3.874 333 HD11 ILE 35 HD11 ILE 35 14.940 13.603 -1.723 334 HD12 ILE 35 HD12 ILE 35 14.063 15.105 -1.991 335 HD13 ILE 35 HD13 ILE 35 13.193 13.659 -1.498 336 H LYS 36 HN LYS 36 13.283 10.338 -6.951 337 HA LYS 36 HA LYS 36 10.986 8.690 -7.001 338 HB2 LYS 36 HB2 LYS 36 12.519 8.937 -8.831 339 HB3 LYS 36 HB3 LYS 36 13.882 8.400 -7.910 340 HG2 LYS 36 HG2 LYS 36 11.525 6.546 -8.358 341 HG3 LYS 36 HG3 LYS 36 12.613 6.834 -9.667 342 HD2 LYS 36 HD2 LYS 36 13.574 5.759 -6.970 343 HD3 LYS 36 HD3 LYS 36 13.100 4.746 -8.284 344 HE2 LYS 36 HE2 LYS 36 14.899 5.731 -9.726 345 HE3 LYS 36 HE3 LYS 36 15.370 6.804 -8.421 346 HZ1 LYS 36 HZ1 LYS 36 16.742 4.906 -8.477 347 HZ2 LYS 36 HZ2 LYS 36 15.461 3.882 -8.326 348 HZ3 LYS 36 HZ3 LYS 36 15.861 4.893 -7.083 349 H GLY 37 HN GLY 37 10.267 7.424 -5.433 350 HA2 GLY 37 HA2 GLY 37 11.737 6.817 -3.034 351 HA3 GLY 37 HA1 GLY 37 10.110 6.312 -3.453 352 H VAL 38 HN VAL 38 11.577 4.537 -2.119 353 HA VAL 38 HA VAL 38 12.142 2.368 -4.090 354 HB VAL 38 HB VAL 38 13.600 2.690 -1.419 355 HG11 VAL 38 HG11 VAL 38 13.527 0.350 -2.207 356 HG12 VAL 38 HG12 VAL 38 14.170 0.855 -3.771 357 HG13 VAL 38 HG13 VAL 38 15.151 0.987 -2.321 358 HG21 VAL 38 HG21 VAL 38 14.658 3.481 -4.167 359 HG22 VAL 38 HG22 VAL 38 14.416 4.554 -2.788 360 HG23 VAL 38 HG23 VAL 38 15.647 3.312 -2.720 361 H SER 39 HN SER 39 11.416 0.287 -3.355 362 HA SER 39 HA SER 39 9.612 0.272 -1.004 363 HB2 SER 39 HB2 SER 39 8.435 1.099 -3.134 364 HB3 SER 39 HB3 SER 39 8.711 -0.475 -3.840 365 HG SER 39 HG SER 39 7.457 -1.366 -2.178 366 H GLU 40 HN GLU 40 9.168 -1.802 -0.202 367 HA GLU 40 HA GLU 40 10.369 -4.139 -1.510 368 HB2 GLU 40 HB2 GLU 40 12.184 -3.168 -0.134 369 HB3 GLU 40 HB3 GLU 40 11.165 -3.125 1.254 370 HG2 GLU 40 HG2 GLU 40 11.028 -5.660 1.242 371 HG3 GLU 40 HG3 GLU 40 12.064 -5.684 -0.170 372 H ILE 41 HN ILE 41 9.369 -6.010 -1.027 373 HA ILE 41 HA ILE 41 7.049 -5.981 0.827 374 HB ILE 41 HB ILE 41 6.900 -6.980 -2.066 375 HG12 ILE 41 HG12 ILE 41 5.713 -4.361 -1.063 376 HG13 ILE 41 HG13 ILE 41 7.090 -4.462 -2.120 377 HG21 ILE 41 HG21 ILE 41 5.327 -8.070 -0.465 378 HG22 ILE 41 HG22 ILE 41 4.741 -6.480 0.014 379 HG23 ILE 41 HG23 ILE 41 4.453 -7.078 -1.614 380 HD11 ILE 41 HD11 ILE 41 4.225 -4.945 -2.812 381 HD12 ILE 41 HD12 ILE 41 5.499 -4.145 -3.722 382 HD13 ILE 41 HD13 ILE 41 5.433 -5.899 -3.676 383 H VAL 42 HN VAL 42 6.735 -8.017 1.749 384 HA VAL 42 HA VAL 42 8.231 -10.348 0.692 385 HB VAL 42 HB VAL 42 8.352 -9.531 3.629 386 HG11 VAL 42 HG11 VAL 42 8.494 -12.000 3.221 387 HG12 VAL 42 HG12 VAL 42 9.855 -11.734 2.146 388 HG13 VAL 42 HG13 VAL 42 9.993 -11.356 3.861 389 HG21 VAL 42 HG21 VAL 42 10.794 -9.105 3.319 390 HG22 VAL 42 HG22 VAL 42 10.582 -9.226 1.576 391 HG23 VAL 42 HG23 VAL 42 9.802 -7.930 2.482 392 H GLN 43 HN GLN 43 6.799 -11.956 0.481 393 HA GLN 43 HA GLN 43 4.492 -12.153 2.357 394 HB2 GLN 43 HB2 GLN 43 3.893 -12.233 0.015 395 HB3 GLN 43 HB3 GLN 43 5.063 -13.482 -0.320 396 HG2 GLN 43 HG2 GLN 43 3.798 -15.113 1.070 397 HG3 GLN 43 HG3 GLN 43 2.712 -13.853 1.608 398 HE21 GLN 43 HE21 GLN 43 3.160 -16.310 -0.711 399 HE22 GLN 43 HE22 GLN 43 1.884 -15.846 -1.800 400 H ASN 44 HN ASN 44 4.392 -13.769 3.829 401 HA ASN 44 HA ASN 44 6.660 -15.709 4.079 402 HB2 ASN 44 HB2 ASN 44 5.419 -14.044 6.310 403 HB3 ASN 44 HB3 ASN 44 6.740 -15.168 6.478 404 HD21 ASN 44 HD21 ASN 44 5.852 -11.885 5.788 405 HD22 ASN 44 HD22 ASN 44 7.463 -11.292 5.495 406 H GLY 45 HN GLY 45 4.401 -16.548 2.847 407 HA2 GLY 45 HA2 GLY 45 3.158 -18.474 2.930 408 HA3 GLY 45 HA1 GLY 45 3.501 -18.669 4.635 409 H LYS 46 HN LYS 46 2.387 -16.958 6.098 410 HA LYS 46 HA LYS 46 -0.328 -16.184 5.140 411 HB2 LYS 46 HB2 LYS 46 0.391 -18.011 7.286 412 HB3 LYS 46 HB3 LYS 46 -0.299 -16.610 8.023 413 HG2 LYS 46 HG2 LYS 46 -1.623 -18.163 5.756 414 HG3 LYS 46 HG3 LYS 46 -1.911 -18.466 7.444 415 HD2 LYS 46 HD2 LYS 46 -2.800 -16.177 7.762 416 HD3 LYS 46 HD3 LYS 46 -2.510 -15.780 6.090 417 HE2 LYS 46 HE2 LYS 46 -4.374 -18.025 7.051 418 HE3 LYS 46 HE3 LYS 46 -4.914 -16.417 6.633 419 HZ1 LYS 46 HZ1 LYS 46 -4.084 -16.740 4.426 420 HZ2 LYS 46 HZ2 LYS 46 -5.180 -17.905 4.823 421 HZ3 LYS 46 HZ3 LYS 46 -3.570 -18.262 4.800 422 H HIS 47 HN HIS 47 2.523 -15.410 7.139 423 HA HIS 47 HA HIS 47 1.610 -12.747 7.799 424 HB2 HIS 47 HB2 HIS 47 3.884 -14.470 8.472 425 HB3 HIS 47 HB3 HIS 47 4.501 -12.948 7.918 426 HD1 HIS 47 HD1 HIS 47 2.258 -11.049 9.190 427 HD2 HIS 47 HD2 HIS 47 4.460 -14.041 11.197 428 HE1 HIS 47 HE1 HIS 47 2.344 -10.466 11.640 429 H PHE 48 HN PHE 48 2.892 -10.815 7.113 430 HA PHE 48 HA PHE 48 4.065 -10.832 4.458 431 HB2 PHE 48 HB2 PHE 48 1.453 -10.854 4.237 432 HB3 PHE 48 HB3 PHE 48 1.468 -9.304 5.003 433 HD1 PHE 48 HD1 PHE 48 2.652 -7.331 3.795 434 HD2 PHE 48 HD2 PHE 48 1.997 -11.163 1.916 435 HE1 PHE 48 HE1 PHE 48 2.835 -6.295 1.575 436 HE2 PHE 48 HE2 PHE 48 2.205 -10.093 -0.289 437 HZ PHE 48 HZ PHE 48 2.550 -7.664 -0.458 438 H LYS 49 HN LYS 49 5.461 -9.103 4.326 439 HA LYS 49 HA LYS 49 5.179 -6.837 6.220 440 HB2 LYS 49 HB2 LYS 49 7.673 -8.422 5.500 441 HB3 LYS 49 HB3 LYS 49 7.805 -6.702 5.616 442 HG2 LYS 49 HG2 LYS 49 6.609 -6.883 7.919 443 HG3 LYS 49 HG3 LYS 49 7.059 -8.568 7.852 444 HD2 LYS 49 HD2 LYS 49 9.458 -7.902 7.581 445 HD3 LYS 49 HD3 LYS 49 9.001 -6.217 7.549 446 HE2 LYS 49 HE2 LYS 49 8.047 -6.488 9.905 447 HE3 LYS 49 HE3 LYS 49 8.711 -8.114 9.930 448 HZ1 LYS 49 HZ1 LYS 49 10.876 -7.166 9.584 449 HZ2 LYS 49 HZ2 LYS 49 10.163 -6.545 10.936 450 HZ3 LYS 49 HZ3 LYS 49 10.246 -5.641 9.559 451 H PHE 50 HN PHE 50 5.727 -4.856 5.499 452 HA PHE 50 HA PHE 50 6.117 -4.374 2.606 453 HB2 PHE 50 HB2 PHE 50 3.628 -4.130 3.920 454 HB3 PHE 50 HB3 PHE 50 4.244 -2.526 4.100 455 HD1 PHE 50 HD1 PHE 50 5.677 -2.186 1.384 456 HD2 PHE 50 HD2 PHE 50 1.829 -3.817 2.489 457 HE1 PHE 50 HE1 PHE 50 4.762 -1.571 -0.805 458 HE2 PHE 50 HE2 PHE 50 0.956 -3.191 0.281 459 HZ PHE 50 HZ PHE 50 2.415 -2.081 -1.365 460 H THR 51 HN THR 51 7.625 -2.704 2.345 461 HA THR 51 HA THR 51 8.227 -0.853 4.565 462 HB THR 51 HB THR 51 10.327 -2.556 3.119 463 HG1 THR 51 HG1 THR 51 9.327 -3.618 4.801 464 HG21 THR 51 HG21 THR 51 10.754 -0.343 5.186 465 HG22 THR 51 HG22 THR 51 11.284 -0.277 3.504 466 HG23 THR 51 HG23 THR 51 12.008 -1.433 4.607 467 H ILE 52 HN ILE 52 8.332 1.197 3.740 468 HA ILE 52 HA ILE 52 8.815 1.551 0.810 469 HB ILE 52 HB ILE 52 6.664 3.066 2.364 470 HG12 ILE 52 HG12 ILE 52 5.065 1.685 0.809 471 HG13 ILE 52 HG13 ILE 52 6.333 0.506 0.765 472 HG21 ILE 52 HG21 ILE 52 5.905 3.741 0.105 473 HG22 ILE 52 HG22 ILE 52 7.562 4.233 0.362 474 HG23 ILE 52 HG23 ILE 52 7.214 2.819 -0.628 475 HD11 ILE 52 HD11 ILE 52 5.709 1.360 3.561 476 HD12 ILE 52 HD12 ILE 52 4.296 0.757 2.711 477 HD13 ILE 52 HD13 ILE 52 5.717 -0.256 2.876 478 H THR 53 HN THR 53 10.358 2.962 0.462 479 HA THR 53 HA THR 53 11.256 4.865 2.546 480 HB THR 53 HB THR 53 12.496 4.019 -0.111 481 HG1 THR 53 HG1 THR 53 12.497 2.409 1.460 482 HG21 THR 53 HG21 THR 53 14.608 5.070 0.804 483 HG22 THR 53 HG22 THR 53 13.649 5.813 2.081 484 HG23 THR 53 HG23 THR 53 13.378 6.244 0.394 485 H ALA 54 HN ALA 54 10.336 6.787 2.458 486 HA ALA 54 HA ALA 54 9.461 8.112 -0.038 487 HB1 ALA 54 HB1 ALA 54 9.370 8.996 2.901 488 HB2 ALA 54 HB2 ALA 54 8.575 9.805 1.551 489 HB3 ALA 54 HB3 ALA 54 8.040 8.210 2.052 490 H GLY 55 HN GLY 55 10.126 10.603 0.132 491 HA2 GLY 55 HA2 GLY 55 12.922 10.761 -0.446 492 HA3 GLY 55 HA1 GLY 55 11.752 12.062 -0.460 493 H SER 56 HN SER 56 12.075 10.321 2.585 494 HA SER 56 HA SER 56 14.104 12.075 3.744 495 HB2 SER 56 HB2 SER 56 11.126 12.407 4.292 496 HB3 SER 56 HB3 SER 56 12.207 12.515 5.660 497 HG SER 56 HG SER 56 13.304 14.159 4.741 498 H LYS 57 HN LYS 57 11.700 9.478 4.139 499 HA LYS 57 HA LYS 57 13.241 8.225 6.326 500 HB2 LYS 57 HB2 LYS 57 11.218 8.318 7.772 501 HB3 LYS 57 HB3 LYS 57 11.800 9.895 7.365 502 HG2 LYS 57 HG2 LYS 57 9.548 10.228 7.115 503 HG3 LYS 57 HG3 LYS 57 9.974 9.908 5.469 504 HD2 LYS 57 HD2 LYS 57 9.232 7.419 5.935 505 HD3 LYS 57 HD3 LYS 57 8.614 8.027 7.435 506 HE2 LYS 57 HE2 LYS 57 7.770 9.036 4.665 507 HE3 LYS 57 HE3 LYS 57 6.889 7.864 5.613 508 HZ1 LYS 57 HZ1 LYS 57 7.438 10.637 6.401 509 HZ2 LYS 57 HZ2 LYS 57 6.662 9.522 7.336 510 HZ3 LYS 57 HZ3 LYS 57 5.984 10.015 5.926 511 H VAL 58 HN VAL 58 12.103 6.183 7.056 512 HA VAL 58 HA VAL 58 10.752 4.772 4.799 513 HB VAL 58 HB VAL 58 12.668 3.550 6.846 514 HG11 VAL 58 HG11 VAL 58 12.567 1.526 5.400 515 HG12 VAL 58 HG12 VAL 58 10.998 1.901 6.075 516 HG13 VAL 58 HG13 VAL 58 11.348 2.299 4.395 517 HG21 VAL 58 HG21 VAL 58 14.065 4.872 5.374 518 HG22 VAL 58 HG22 VAL 58 14.231 3.194 4.894 519 HG23 VAL 58 HG23 VAL 58 13.220 4.284 3.950 520 H ILE 59 HN ILE 59 8.820 3.941 5.339 521 HA ILE 59 HA ILE 59 8.184 3.346 8.197 522 HB ILE 59 HB ILE 59 6.351 4.285 5.954 523 HG12 ILE 59 HG12 ILE 59 6.759 5.290 8.802 524 HG13 ILE 59 HG13 ILE 59 7.463 6.009 7.386 525 HG21 ILE 59 HG21 ILE 59 4.374 3.864 7.475 526 HG22 ILE 59 HG22 ILE 59 5.113 2.383 6.967 527 HG23 ILE 59 HG23 ILE 59 5.427 3.008 8.585 528 HD11 ILE 59 HD11 ILE 59 4.642 6.169 8.375 529 HD12 ILE 59 HD12 ILE 59 5.592 7.383 7.537 530 HD13 ILE 59 HD13 ILE 59 4.832 6.073 6.629 531 H GLN 60 HN GLN 60 7.358 1.348 8.601 532 HA GLN 60 HA GLN 60 6.835 -0.498 6.410 533 HB2 GLN 60 HB2 GLN 60 8.177 -2.293 7.626 534 HB3 GLN 60 HB3 GLN 60 9.078 -1.128 6.732 535 HG2 GLN 60 HG2 GLN 60 8.697 -0.505 9.676 536 HG3 GLN 60 HG3 GLN 60 9.661 -1.901 9.287 537 HE21 GLN 60 HE21 GLN 60 9.776 1.513 9.562 538 HE22 GLN 60 HE22 GLN 60 11.348 1.741 8.847 539 H ASN 61 HN ASN 61 5.531 -2.214 6.909 540 HA ASN 61 HA ASN 61 4.249 -2.299 9.561 541 HB2 ASN 61 HB2 ASN 61 2.760 -2.065 6.874 542 HB3 ASN 61 HB3 ASN 61 1.999 -2.551 8.369 543 HD21 ASN 61 HD21 ASN 61 2.562 -0.957 10.343 544 HD22 ASN 61 HD22 ASN 61 2.298 0.721 9.961 545 H GLU 62 HN GLU 62 2.968 -4.264 9.826 546 HA GLU 62 HA GLU 62 3.691 -6.544 8.149 547 HB2 GLU 62 HB2 GLU 62 5.532 -6.246 9.841 548 HB3 GLU 62 HB3 GLU 62 4.361 -6.332 11.118 549 HG2 GLU 62 HG2 GLU 62 3.839 -8.683 10.597 550 HG3 GLU 62 HG3 GLU 62 4.798 -8.616 9.134 551 H PHE 63 HN PHE 63 2.121 -8.115 8.161 552 HA PHE 63 HA PHE 63 -0.015 -8.136 10.108 553 HB2 PHE 63 HB2 PHE 63 -1.822 -7.604 8.500 554 HB3 PHE 63 HB3 PHE 63 -0.782 -6.236 8.733 555 HD1 PHE 63 HD1 PHE 63 0.643 -5.405 6.888 556 HD2 PHE 63 HD2 PHE 63 -1.839 -8.897 6.351 557 HE1 PHE 63 HE1 PHE 63 0.929 -5.260 4.446 558 HE2 PHE 63 HE2 PHE 63 -1.497 -8.736 3.919 559 HZ PHE 63 HZ PHE 63 -0.159 -6.905 2.970 560 H THR 64 HN THR 64 -1.723 -9.736 9.546 561 HA THR 64 HA THR 64 -0.624 -12.036 7.996 562 HB THR 64 HB THR 64 -2.771 -12.440 10.098 563 HG1 THR 64 HG1 THR 64 -1.144 -12.752 11.651 564 HG21 THR 64 HG21 THR 64 -0.309 -14.099 9.338 565 HG22 THR 64 HG22 THR 64 -1.913 -14.321 8.649 566 HG23 THR 64 HG23 THR 64 -1.651 -14.610 10.363 567 H VAL 65 HN VAL 65 -1.826 -12.612 6.242 568 HA VAL 65 HA VAL 65 -3.933 -10.936 5.356 569 HB VAL 65 HB VAL 65 -3.034 -13.669 4.334 570 HG11 VAL 65 HG11 VAL 65 -4.682 -11.572 2.842 571 HG12 VAL 65 HG12 VAL 65 -4.008 -13.029 2.134 572 HG13 VAL 65 HG13 VAL 65 -5.266 -13.159 3.341 573 HG21 VAL 65 HG21 VAL 65 -2.187 -10.889 3.414 574 HG22 VAL 65 HG22 VAL 65 -1.174 -12.029 4.294 575 HG23 VAL 65 HG23 VAL 65 -1.701 -12.403 2.666 576 H GLY 66 HN GLY 66 -6.078 -10.991 5.734 577 HA2 GLY 66 HA2 GLY 66 -8.202 -11.923 5.993 578 HA3 GLY 66 HA1 GLY 66 -7.538 -13.500 6.345 579 H GLU 67 HN GLU 67 -5.798 -11.305 8.285 580 HA GLU 67 HA GLU 67 -7.825 -11.231 10.469 581 HB2 GLU 67 HB2 GLU 67 -4.858 -11.861 10.786 582 HB3 GLU 67 HB3 GLU 67 -6.017 -11.683 12.073 583 HG2 GLU 67 HG2 GLU 67 -7.327 -13.656 11.034 584 HG3 GLU 67 HG3 GLU 67 -5.970 -13.906 9.960 585 H GLU 68 HN GLU 68 -7.607 -9.488 11.927 586 HA GLU 68 HA GLU 68 -7.002 -7.031 10.592 587 HB2 GLU 68 HB2 GLU 68 -7.910 -7.694 13.420 588 HB3 GLU 68 HB3 GLU 68 -7.690 -6.057 12.865 589 HG2 GLU 68 HG2 GLU 68 -9.349 -6.459 11.019 590 HG3 GLU 68 HG3 GLU 68 -9.646 -8.073 11.639 591 H CYS 69 HN CYS 69 -5.404 -5.619 10.787 592 HA CYS 69 HA CYS 69 -3.545 -5.561 13.011 593 HB2 CYS 69 HB2 CYS 69 -2.671 -6.372 10.206 594 HB3 CYS 69 HB3 CYS 69 -1.578 -5.438 11.208 595 HG CYS 69 HG CYS 69 -3.007 -8.295 11.959 596 H GLU 70 HN GLU 70 -2.376 -3.590 13.073 597 HA GLU 70 HA GLU 70 -3.830 -1.381 11.802 598 HB2 GLU 70 HB2 GLU 70 -3.475 -1.576 14.272 599 HB3 GLU 70 HB3 GLU 70 -1.764 -1.374 14.018 600 HG2 GLU 70 HG2 GLU 70 -2.150 0.878 13.021 601 HG3 GLU 70 HG3 GLU 70 -3.881 0.665 13.155 602 H LEU 71 HN LEU 71 -3.179 -0.631 9.936 603 HA LEU 71 HA LEU 71 -0.350 -0.724 9.066 604 HB2 LEU 71 HB2 LEU 71 -2.965 0.023 7.657 605 HB3 LEU 71 HB3 LEU 71 -1.404 0.057 6.889 606 HG LEU 71 HG LEU 71 -2.725 -2.434 8.030 607 HD11 LEU 71 HD11 LEU 71 -2.308 -2.184 5.073 608 HD12 LEU 71 HD12 LEU 71 -3.609 -1.245 5.783 609 HD13 LEU 71 HD13 LEU 71 -3.577 -2.983 5.990 610 HD21 LEU 71 HD21 LEU 71 -0.642 -3.338 8.012 611 HD22 LEU 71 HD22 LEU 71 0.048 -1.980 7.127 612 HD23 LEU 71 HD23 LEU 71 -0.716 -3.294 6.260 613 H GLU 72 HN GLU 72 0.772 1.203 8.504 614 HA GLU 72 HA GLU 72 -0.302 3.690 9.750 615 HB2 GLU 72 HB2 GLU 72 1.536 2.701 10.983 616 HB3 GLU 72 HB3 GLU 72 2.543 2.659 9.560 617 HG2 GLU 72 HG2 GLU 72 2.641 5.107 9.445 618 HG3 GLU 72 HG3 GLU 72 1.434 5.275 10.697 619 H THR 73 HN THR 73 -0.536 5.403 8.587 620 HA THR 73 HA THR 73 -0.081 5.473 5.718 621 HB THR 73 HB THR 73 -1.073 7.613 7.692 622 HG1 THR 73 HG1 THR 73 -2.374 5.840 7.798 623 HG21 THR 73 HG21 THR 73 -0.623 8.706 5.506 624 HG22 THR 73 HG22 THR 73 -2.346 8.527 5.717 625 HG23 THR 73 HG23 THR 73 -1.480 7.420 4.656 626 H MET 74 HN MET 74 1.135 7.294 4.656 627 HA MET 74 HA MET 74 3.738 7.693 5.713 628 HB2 MET 74 HB2 MET 74 2.285 8.963 3.378 629 HB3 MET 74 HB3 MET 74 3.940 9.344 3.763 630 HG2 MET 74 HG2 MET 74 4.408 6.788 3.685 631 HG3 MET 74 HG3 MET 74 2.852 6.632 2.912 632 HE1 MET 74 HE1 MET 74 3.352 8.422 -0.505 633 HE2 MET 74 HE2 MET 74 2.310 7.379 0.475 634 HE3 MET 74 HE3 MET 74 2.579 9.065 0.950 635 H THR 75 HN THR 75 0.887 9.502 6.435 636 HA THR 75 HA THR 75 2.223 11.887 7.432 637 HB THR 75 HB THR 75 -0.073 12.159 8.575 638 HG1 THR 75 HG1 THR 75 -1.664 10.738 7.978 639 HG21 THR 75 HG21 THR 75 -0.197 11.705 5.550 640 HG22 THR 75 HG22 THR 75 0.341 13.186 6.338 641 HG23 THR 75 HG23 THR 75 -1.328 12.654 6.513 642 H GLY 76 HN GLY 76 1.021 8.760 8.753 643 HA2 GLY 76 HA2 GLY 76 2.230 7.827 10.678 644 HA3 GLY 76 HA1 GLY 76 2.183 9.393 11.459 645 H GLU 77 HN GLU 77 -0.836 9.034 9.803 646 HA GLU 77 HA GLU 77 -2.321 8.299 12.169 647 HB2 GLU 77 HB2 GLU 77 -3.126 8.463 9.234 648 HB3 GLU 77 HB3 GLU 77 -4.213 7.899 10.456 649 HG2 GLU 77 HG2 GLU 77 -4.855 10.102 10.338 650 HG3 GLU 77 HG3 GLU 77 -3.762 10.181 11.693 651 H LYS 78 HN LYS 78 -2.719 6.351 12.984 652 HA LYS 78 HA LYS 78 -1.923 3.927 11.447 653 HB2 LYS 78 HB2 LYS 78 -2.145 4.357 14.459 654 HB3 LYS 78 HB3 LYS 78 -1.597 2.936 13.615 655 HG2 LYS 78 HG2 LYS 78 0.231 4.500 12.543 656 HG3 LYS 78 HG3 LYS 78 -0.203 5.614 13.811 657 HD2 LYS 78 HD2 LYS 78 1.623 4.414 14.703 658 HD3 LYS 78 HD3 LYS 78 0.226 3.747 15.497 659 HE2 LYS 78 HE2 LYS 78 0.514 2.096 13.193 660 HE3 LYS 78 HE3 LYS 78 2.162 2.435 13.659 661 HZ1 LYS 78 HZ1 LYS 78 0.042 1.339 15.370 662 HZ2 LYS 78 HZ2 LYS 78 1.585 1.664 15.875 663 HZ3 LYS 78 HZ3 LYS 78 1.315 0.507 14.729 664 H VAL 79 HN VAL 79 -3.500 2.680 10.724 665 HA VAL 79 HA VAL 79 -6.231 2.808 11.887 666 HB VAL 79 HB VAL 79 -6.965 2.768 9.398 667 HG11 VAL 79 HG11 VAL 79 -7.426 4.672 10.894 668 HG12 VAL 79 HG12 VAL 79 -5.847 5.364 10.533 669 HG13 VAL 79 HG13 VAL 79 -7.059 5.223 9.264 670 HG21 VAL 79 HG21 VAL 79 -5.562 3.831 7.729 671 HG22 VAL 79 HG22 VAL 79 -4.265 4.097 8.881 672 HG23 VAL 79 HG23 VAL 79 -4.656 2.469 8.367 673 H LYS 80 HN LYS 80 -7.181 0.934 12.137 674 HA LYS 80 HA LYS 80 -5.890 -1.542 11.363 675 HB2 LYS 80 HB2 LYS 80 -8.358 -0.838 12.988 676 HB3 LYS 80 HB3 LYS 80 -7.925 -2.486 12.611 677 HG2 LYS 80 HG2 LYS 80 -5.797 -2.336 13.759 678 HG3 LYS 80 HG3 LYS 80 -5.967 -0.620 14.003 679 HD2 LYS 80 HD2 LYS 80 -6.448 -1.801 16.074 680 HD3 LYS 80 HD3 LYS 80 -7.864 -0.952 15.526 681 HE2 LYS 80 HE2 LYS 80 -8.832 -3.105 14.642 682 HE3 LYS 80 HE3 LYS 80 -7.383 -3.959 15.146 683 HZ1 LYS 80 HZ1 LYS 80 -9.136 -4.158 16.719 684 HZ2 LYS 80 HZ2 LYS 80 -9.236 -2.525 16.915 685 HZ3 LYS 80 HZ3 LYS 80 -7.881 -3.333 17.401 686 H THR 81 HN THR 81 -6.518 -3.085 9.994 687 HA THR 81 HA THR 81 -9.072 -3.272 8.778 688 HB THR 81 HB THR 81 -8.149 -1.356 7.375 689 HG1 THR 81 HG1 THR 81 -8.608 -2.311 5.424 690 HG21 THR 81 HG21 THR 81 -6.357 -1.743 5.743 691 HG22 THR 81 HG22 THR 81 -6.080 -3.370 6.328 692 HG23 THR 81 HG23 THR 81 -5.702 -1.992 7.358 693 H VAL 82 HN VAL 82 -8.964 -4.979 6.971 694 HA VAL 82 HA VAL 82 -6.932 -7.103 7.528 695 HB VAL 82 HB VAL 82 -9.785 -7.308 6.423 696 HG11 VAL 82 HG11 VAL 82 -8.517 -9.054 5.320 697 HG12 VAL 82 HG12 VAL 82 -7.698 -9.481 6.820 698 HG13 VAL 82 HG13 VAL 82 -9.416 -9.816 6.611 699 HG21 VAL 82 HG21 VAL 82 -10.284 -8.630 8.479 700 HG22 VAL 82 HG22 VAL 82 -8.693 -8.222 9.109 701 HG23 VAL 82 HG23 VAL 82 -9.891 -6.960 8.828 702 H VAL 83 HN VAL 83 -5.723 -7.738 5.782 703 HA VAL 83 HA VAL 83 -6.312 -6.618 3.081 704 HB VAL 83 HB VAL 83 -3.811 -7.948 4.203 705 HG11 VAL 83 HG11 VAL 83 -2.693 -7.199 2.052 706 HG12 VAL 83 HG12 VAL 83 -3.854 -8.483 1.819 707 HG13 VAL 83 HG13 VAL 83 -4.284 -6.825 1.400 708 HG21 VAL 83 HG21 VAL 83 -4.303 -5.013 3.518 709 HG22 VAL 83 HG22 VAL 83 -4.033 -5.683 5.120 710 HG23 VAL 83 HG23 VAL 83 -2.744 -5.690 3.937 711 H GLN 84 HN GLN 84 -6.681 -7.953 1.392 712 HA GLN 84 HA GLN 84 -6.828 -10.888 1.767 713 HB2 GLN 84 HB2 GLN 84 -8.913 -8.902 0.731 714 HB3 GLN 84 HB3 GLN 84 -8.929 -10.519 0.120 715 HG2 GLN 84 HG2 GLN 84 -9.174 -9.829 3.087 716 HG3 GLN 84 HG3 GLN 84 -10.505 -10.200 2.018 717 HE21 GLN 84 HE21 GLN 84 -7.984 -11.565 3.984 718 HE22 GLN 84 HE22 GLN 84 -8.321 -13.242 3.632 719 H LEU 85 HN LEU 85 -7.196 -11.954 -0.433 720 HA LEU 85 HA LEU 85 -5.635 -10.693 -2.591 721 HB2 LEU 85 HB2 LEU 85 -4.279 -12.228 -0.954 722 HB3 LEU 85 HB3 LEU 85 -5.095 -13.570 -1.676 723 HG LEU 85 HG LEU 85 -3.456 -11.501 -3.221 724 HD11 LEU 85 HD11 LEU 85 -2.132 -14.123 -2.871 725 HD12 LEU 85 HD12 LEU 85 -2.339 -13.259 -1.367 726 HD13 LEU 85 HD13 LEU 85 -1.505 -12.495 -2.704 727 HD21 LEU 85 HD21 LEU 85 -4.803 -14.046 -4.053 728 HD22 LEU 85 HD22 LEU 85 -3.252 -13.709 -4.791 729 HD23 LEU 85 HD23 LEU 85 -4.554 -12.556 -4.972 730 H GLU 86 HN GLU 86 -6.599 -11.024 -4.543 731 HA GLU 86 HA GLU 86 -9.162 -12.454 -4.568 732 HB2 GLU 86 HB2 GLU 86 -9.623 -11.190 -6.568 733 HB3 GLU 86 HB3 GLU 86 -9.086 -10.144 -5.296 734 HG2 GLU 86 HG2 GLU 86 -6.837 -9.955 -6.341 735 HG3 GLU 86 HG3 GLU 86 -7.276 -11.099 -7.585 736 H GLY 87 HN GLY 87 -6.409 -13.854 -4.766 737 HA2 GLY 87 HA2 GLY 87 -5.769 -15.887 -5.552 738 HA3 GLY 87 HA1 GLY 87 -7.262 -16.013 -6.458 739 H ASP 88 HN ASP 88 -5.642 -13.102 -7.333 740 HA ASP 88 HA ASP 88 -4.486 -14.351 -9.786 741 HB2 ASP 88 HB2 ASP 88 -6.923 -13.412 -9.955 742 HB3 ASP 88 HB3 ASP 88 -6.234 -11.846 -9.645 743 H ASN 89 HN ASN 89 -2.748 -13.878 -7.850 744 HA ASN 89 HA ASN 89 -1.207 -12.719 -6.900 745 HB2 ASN 89 HB2 ASN 89 0.682 -11.960 -8.447 746 HB3 ASN 89 HB3 ASN 89 0.097 -13.581 -8.560 747 HD21 ASN 89 HD21 ASN 89 -1.315 -10.642 -10.171 748 HD22 ASN 89 HD22 ASN 89 -1.041 -11.253 -11.783 749 H LYS 90 HN LYS 90 -3.420 -11.177 -6.697 750 HA LYS 90 HA LYS 90 -2.429 -8.390 -6.658 751 HB2 LYS 90 HB2 LYS 90 -5.012 -9.521 -7.838 752 HB3 LYS 90 HB3 LYS 90 -4.912 -7.854 -7.345 753 HG2 LYS 90 HG2 LYS 90 -3.332 -7.276 -9.005 754 HG3 LYS 90 HG3 LYS 90 -2.847 -8.917 -9.295 755 HD2 LYS 90 HD2 LYS 90 -4.133 -8.371 -11.175 756 HD3 LYS 90 HD3 LYS 90 -5.192 -9.363 -10.213 757 HE2 LYS 90 HE2 LYS 90 -6.254 -7.206 -9.296 758 HE3 LYS 90 HE3 LYS 90 -5.287 -6.317 -10.461 759 HZ1 LYS 90 HZ1 LYS 90 -6.327 -7.656 -12.191 760 HZ2 LYS 90 HZ2 LYS 90 -7.448 -6.813 -11.310 761 HZ3 LYS 90 HZ3 LYS 90 -7.237 -8.427 -11.045 762 H LEU 91 HN LEU 91 -2.611 -7.592 -4.650 763 HA LEU 91 HA LEU 91 -4.387 -8.894 -2.682 764 HB2 LEU 91 HB2 LEU 91 -2.408 -6.616 -2.335 765 HB3 LEU 91 HB3 LEU 91 -3.294 -7.351 -1.054 766 HG LEU 91 HG LEU 91 -1.376 -8.946 -2.769 767 HD11 LEU 91 HD11 LEU 91 0.432 -8.129 -1.739 768 HD12 LEU 91 HD12 LEU 91 -0.275 -8.299 -0.140 769 HD13 LEU 91 HD13 LEU 91 -0.556 -6.842 -1.070 770 HD21 LEU 91 HD21 LEU 91 -3.197 -10.065 -1.175 771 HD22 LEU 91 HD22 LEU 91 -2.062 -9.656 0.093 772 HD23 LEU 91 HD23 LEU 91 -1.558 -10.684 -1.238 773 H VAL 92 HN VAL 92 -5.958 -7.708 -1.528 774 HA VAL 92 HA VAL 92 -6.825 -5.081 -2.622 775 HB VAL 92 HB VAL 92 -8.625 -7.468 -1.957 776 HG11 VAL 92 HG11 VAL 92 -9.425 -4.636 -2.770 777 HG12 VAL 92 HG12 VAL 92 -10.523 -6.009 -2.753 778 HG13 VAL 92 HG13 VAL 92 -9.821 -5.446 -1.256 779 HG21 VAL 92 HG21 VAL 92 -8.098 -6.161 -4.659 780 HG22 VAL 92 HG22 VAL 92 -7.659 -7.798 -4.182 781 HG23 VAL 92 HG23 VAL 92 -9.346 -7.363 -4.348 782 H THR 93 HN THR 93 -7.410 -3.655 -1.008 783 HA THR 93 HA THR 93 -8.414 -4.595 1.502 784 HB THR 93 HB THR 93 -5.954 -4.728 1.982 785 HG1 THR 93 HG1 THR 93 -7.288 -4.319 3.696 786 HG21 THR 93 HG21 THR 93 -5.070 -2.830 0.633 787 HG22 THR 93 HG22 THR 93 -4.589 -2.727 2.316 788 HG23 THR 93 HG23 THR 93 -5.871 -1.685 1.726 789 H THR 94 HN THR 94 -9.017 -2.686 2.918 790 HA THR 94 HA THR 94 -9.515 -0.180 1.468 791 HB THR 94 HB THR 94 -11.845 -1.521 2.939 792 HG1 THR 94 HG1 THR 94 -11.235 -2.890 1.235 793 HG21 THR 94 HG21 THR 94 -12.226 0.903 2.377 794 HG22 THR 94 HG22 THR 94 -13.241 -0.109 1.389 795 HG23 THR 94 HG23 THR 94 -11.784 0.592 0.705 796 H PHE 95 HN PHE 95 -10.844 1.255 3.274 797 HA PHE 95 HA PHE 95 -10.086 0.549 6.024 798 HB2 PHE 95 HB2 PHE 95 -9.417 3.279 4.805 799 HB3 PHE 95 HB3 PHE 95 -9.404 2.910 6.511 800 HD1 PHE 95 HD1 PHE 95 -7.705 1.244 7.445 801 HD2 PHE 95 HD2 PHE 95 -7.583 2.609 3.353 802 HE1 PHE 95 HE1 PHE 95 -5.375 0.479 7.232 803 HE2 PHE 95 HE2 PHE 95 -5.255 1.841 3.181 804 HZ PHE 95 HZ PHE 95 -4.144 0.814 5.117 805 H LYS 96 HN LYS 96 -11.267 3.728 5.445 806 HA LYS 96 HA LYS 96 -14.081 2.887 5.979 807 HB2 LYS 96 HB2 LYS 96 -12.614 5.536 6.404 808 HB3 LYS 96 HB3 LYS 96 -14.311 5.274 6.712 809 HG2 LYS 96 HG2 LYS 96 -13.778 3.554 8.423 810 HG3 LYS 96 HG3 LYS 96 -12.070 3.756 8.128 811 HD2 LYS 96 HD2 LYS 96 -12.215 6.148 8.831 812 HD3 LYS 96 HD3 LYS 96 -13.924 5.959 9.135 813 HE2 LYS 96 HE2 LYS 96 -13.434 4.227 10.888 814 HE3 LYS 96 HE3 LYS 96 -11.714 4.394 10.572 815 HZ1 LYS 96 HZ1 LYS 96 -11.864 6.684 11.236 816 HZ2 LYS 96 HZ2 LYS 96 -12.390 5.685 12.436 817 HZ3 LYS 96 HZ3 LYS 96 -13.479 6.531 11.533 818 H ASN 97 HN ASN 97 -11.997 4.935 3.912 819 HA ASN 97 HA ASN 97 -14.062 5.144 1.815 820 HB2 ASN 97 HB2 ASN 97 -14.004 7.571 1.841 821 HB3 ASN 97 HB3 ASN 97 -14.495 7.014 3.413 822 HD21 ASN 97 HD21 ASN 97 -13.157 9.580 2.396 823 HD22 ASN 97 HD22 ASN 97 -11.813 9.802 3.484 824 H ILE 98 HN ILE 98 -11.036 4.207 2.424 825 HA ILE 98 HA ILE 98 -9.925 5.264 -0.136 826 HB ILE 98 HB ILE 98 -8.357 4.537 2.373 827 HG12 ILE 98 HG12 ILE 98 -8.886 7.298 1.260 828 HG13 ILE 98 HG13 ILE 98 -9.626 6.666 2.695 829 HG21 ILE 98 HG21 ILE 98 -6.405 5.491 1.121 830 HG22 ILE 98 HG22 ILE 98 -7.064 4.113 0.281 831 HG23 ILE 98 HG23 ILE 98 -7.427 5.738 -0.291 832 HD11 ILE 98 HD11 ILE 98 -7.902 7.848 3.670 833 HD12 ILE 98 HD12 ILE 98 -7.080 6.303 3.490 834 HD13 ILE 98 HD13 ILE 98 -6.797 7.598 2.325 835 H LYS 99 HN LYS 99 -10.208 3.564 -1.526 836 HA LYS 99 HA LYS 99 -9.859 0.778 -0.648 837 HB2 LYS 99 HB2 LYS 99 -11.507 1.723 -2.486 838 HB3 LYS 99 HB3 LYS 99 -10.110 1.716 -3.528 839 HG2 LYS 99 HG2 LYS 99 -9.864 -0.819 -2.855 840 HG3 LYS 99 HG3 LYS 99 -11.391 -0.643 -2.052 841 HD2 LYS 99 HD2 LYS 99 -12.452 -0.054 -4.247 842 HD3 LYS 99 HD3 LYS 99 -10.896 -0.189 -5.031 843 HE2 LYS 99 HE2 LYS 99 -10.759 -2.616 -4.284 844 HE3 LYS 99 HE3 LYS 99 -12.365 -2.468 -3.591 845 HZ1 LYS 99 HZ1 LYS 99 -12.414 -3.411 -5.762 846 HZ2 LYS 99 HZ2 LYS 99 -11.674 -2.094 -6.420 847 HZ3 LYS 99 HZ3 LYS 99 -13.188 -1.956 -5.781 848 H SER 100 HN SER 100 -8.348 -0.639 -1.827 849 HA SER 100 HA SER 100 -5.985 0.489 -3.074 850 HB2 SER 100 HB2 SER 100 -5.366 0.662 -0.696 851 HB3 SER 100 HB3 SER 100 -5.874 -0.985 -0.419 852 HG SER 100 HG SER 100 -3.606 -0.750 -0.697 853 H VAL 101 HN VAL 101 -5.320 -0.838 -4.633 854 HA VAL 101 HA VAL 101 -5.834 -3.739 -4.541 855 HB VAL 101 HB VAL 101 -6.464 -1.960 -6.948 856 HG11 VAL 101 HG11 VAL 101 -7.168 -4.094 -8.082 857 HG12 VAL 101 HG12 VAL 101 -5.448 -4.053 -7.777 858 HG13 VAL 101 HG13 VAL 101 -6.498 -5.011 -6.740 859 HG21 VAL 101 HG21 VAL 101 -8.782 -2.877 -6.762 860 HG22 VAL 101 HG22 VAL 101 -8.343 -3.647 -5.241 861 HG23 VAL 101 HG23 VAL 101 -8.343 -1.890 -5.385 862 H THR 102 HN THR 102 -3.796 -4.409 -4.400 863 HA THR 102 HA THR 102 -1.546 -3.114 -5.833 864 HB THR 102 HB THR 102 -1.639 -5.513 -3.943 865 HG1 THR 102 HG1 THR 102 -2.243 -3.577 -2.942 866 HG21 THR 102 HG21 THR 102 0.815 -5.039 -3.564 867 HG22 THR 102 HG22 THR 102 0.779 -3.932 -4.934 868 HG23 THR 102 HG23 THR 102 0.476 -5.654 -5.163 869 H GLU 103 HN GLU 103 -0.221 -4.375 -7.284 870 HA GLU 103 HA GLU 103 -1.191 -7.025 -8.168 871 HB2 GLU 103 HB2 GLU 103 -2.104 -5.277 -9.752 872 HB3 GLU 103 HB3 GLU 103 -0.487 -4.673 -9.964 873 HG2 GLU 103 HG2 GLU 103 0.208 -6.882 -10.992 874 HG3 GLU 103 HG3 GLU 103 -1.451 -7.423 -10.866 875 H LEU 104 HN LEU 104 0.411 -8.399 -8.645 876 HA LEU 104 HA LEU 104 3.232 -7.465 -8.896 877 HB2 LEU 104 HB2 LEU 104 3.056 -8.689 -6.803 878 HB3 LEU 104 HB3 LEU 104 2.018 -9.892 -7.512 879 HG LEU 104 HG LEU 104 3.941 -10.710 -8.933 880 HD11 LEU 104 HD11 LEU 104 5.430 -8.820 -9.058 881 HD12 LEU 104 HD12 LEU 104 6.267 -10.033 -8.101 882 HD13 LEU 104 HD13 LEU 104 5.501 -8.675 -7.298 883 HD21 LEU 104 HD21 LEU 104 5.213 -11.305 -6.496 884 HD22 LEU 104 HD22 LEU 104 4.000 -12.255 -7.332 885 HD23 LEU 104 HD23 LEU 104 3.518 -11.115 -6.089 886 H ASN 105 HN ASN 105 3.718 -7.647 -11.032 887 HA ASN 105 HA ASN 105 2.822 -10.056 -12.519 888 HB2 ASN 105 HB2 ASN 105 2.730 -7.115 -13.387 889 HB3 ASN 105 HB3 ASN 105 3.027 -8.360 -14.566 890 HD21 ASN 105 HD21 ASN 105 0.780 -9.330 -12.005 891 HD22 ASN 105 HD22 ASN 105 -0.635 -9.185 -13.019 892 H GLY 106 HN GLY 106 4.791 -11.007 -11.846 893 HA2 GLY 106 HA2 GLY 106 6.921 -11.716 -12.275 894 HA3 GLY 106 HA1 GLY 106 7.066 -10.533 -13.565 895 H ASP 107 HN ASP 107 8.268 -8.684 -13.174 896 HA ASP 107 HA ASP 107 9.303 -8.131 -10.455 897 HB2 ASP 107 HB2 ASP 107 10.826 -6.521 -11.713 898 HB3 ASP 107 HB3 ASP 107 11.151 -8.244 -11.866 899 H ILE 108 HN ILE 108 6.968 -6.977 -12.760 900 HA ILE 108 HA ILE 108 7.113 -4.181 -12.014 901 HB ILE 108 HB ILE 108 4.880 -5.644 -13.498 902 HG12 ILE 108 HG12 ILE 108 6.826 -6.179 -14.750 903 HG13 ILE 108 HG13 ILE 108 5.939 -4.981 -15.623 904 HG21 ILE 108 HG21 ILE 108 5.618 -2.682 -13.477 905 HG22 ILE 108 HG22 ILE 108 4.431 -3.420 -14.547 906 HG23 ILE 108 HG23 ILE 108 4.157 -3.406 -12.820 907 HD11 ILE 108 HD11 ILE 108 8.174 -4.234 -15.833 908 HD12 ILE 108 HD12 ILE 108 7.651 -3.255 -14.468 909 HD13 ILE 108 HD13 ILE 108 8.602 -4.712 -14.198 910 H ILE 109 HN ILE 109 5.923 -3.134 -10.474 911 HA ILE 109 HA ILE 109 3.799 -4.631 -8.992 912 HB ILE 109 HB ILE 109 5.694 -2.515 -7.906 913 HG12 ILE 109 HG12 ILE 109 7.052 -4.448 -8.262 914 HG13 ILE 109 HG13 ILE 109 6.799 -4.202 -6.568 915 HG21 ILE 109 HG21 ILE 109 3.673 -4.203 -6.377 916 HG22 ILE 109 HG22 ILE 109 4.824 -3.071 -5.672 917 HG23 ILE 109 HG23 ILE 109 3.538 -2.480 -6.696 918 HD11 ILE 109 HD11 ILE 109 6.302 -6.577 -8.093 919 HD12 ILE 109 HD12 ILE 109 6.058 -6.349 -6.364 920 HD13 ILE 109 HD13 ILE 109 4.736 -6.060 -7.479 921 H THR 110 HN THR 110 1.951 -3.796 -9.874 922 HA THR 110 HA THR 110 1.759 -0.860 -10.367 923 HB THR 110 HB THR 110 -0.132 -3.045 -11.346 924 HG1 THR 110 HG1 THR 110 1.189 -3.462 -12.809 925 HG21 THR 110 HG21 THR 110 -0.801 -1.347 -13.017 926 HG22 THR 110 HG22 THR 110 0.274 -0.165 -12.279 927 HG23 THR 110 HG23 THR 110 -1.129 -0.760 -11.396 928 H ASN 111 HN ASN 111 1.251 0.013 -8.402 929 HA ASN 111 HA ASN 111 -0.942 -1.107 -6.721 930 HB2 ASN 111 HB2 ASN 111 1.469 -0.213 -5.960 931 HB3 ASN 111 HB3 ASN 111 0.766 1.366 -6.138 932 HD21 ASN 111 HD21 ASN 111 0.690 -1.751 -4.409 933 HD22 ASN 111 HD22 ASN 111 -0.262 -1.214 -3.054 934 H THR 112 HN THR 112 -2.836 -0.065 -6.303 935 HA THR 112 HA THR 112 -3.390 2.558 -7.530 936 HB THR 112 HB THR 112 -5.062 0.032 -8.040 937 HG1 THR 112 HG1 THR 112 -3.269 0.269 -9.381 938 HG21 THR 112 HG21 THR 112 -6.499 1.521 -9.487 939 HG22 THR 112 HG22 THR 112 -5.646 2.928 -8.861 940 HG23 THR 112 HG23 THR 112 -6.640 1.945 -7.793 941 H MET 113 HN MET 113 -4.355 3.783 -6.003 942 HA MET 113 HA MET 113 -6.095 2.526 -3.929 943 HB2 MET 113 HB2 MET 113 -4.289 4.995 -3.781 944 HB3 MET 113 HB3 MET 113 -5.511 4.624 -2.596 945 HG2 MET 113 HG2 MET 113 -4.391 2.571 -1.920 946 HG3 MET 113 HG3 MET 113 -3.244 2.691 -3.229 947 HE1 MET 113 HE1 MET 113 -3.253 5.487 0.479 948 HE2 MET 113 HE2 MET 113 -4.463 5.691 -0.788 949 HE3 MET 113 HE3 MET 113 -4.437 4.208 0.183 950 H THR 114 HN THR 114 -7.902 3.951 -3.208 951 HA THR 114 HA THR 114 -8.670 6.109 -5.058 952 HB THR 114 HB THR 114 -10.540 3.739 -4.560 953 HG1 THR 114 HG1 THR 114 -8.967 3.318 -6.105 954 HG21 THR 114 HG21 THR 114 -12.023 4.923 -6.254 955 HG22 THR 114 HG22 THR 114 -10.989 6.343 -6.110 956 HG23 THR 114 HG23 THR 114 -11.919 5.782 -4.730 957 H LEU 115 HN LEU 115 -8.391 7.566 -3.408 958 HA LEU 115 HA LEU 115 -10.144 7.413 -1.027 959 HB2 LEU 115 HB2 LEU 115 -7.939 8.213 -0.536 960 HB3 LEU 115 HB3 LEU 115 -7.905 9.242 -1.930 961 HG LEU 115 HG LEU 115 -9.448 10.827 -0.984 962 HD11 LEU 115 HD11 LEU 115 -9.710 9.950 1.779 963 HD12 LEU 115 HD12 LEU 115 -10.473 8.786 0.719 964 HD13 LEU 115 HD13 LEU 115 -10.943 10.467 0.639 965 HD21 LEU 115 HD21 LEU 115 -7.194 11.269 -0.463 966 HD22 LEU 115 HD22 LEU 115 -7.164 10.094 0.852 967 HD23 LEU 115 HD23 LEU 115 -8.103 11.580 1.008 968 H GLY 116 HN GLY 116 -12.198 7.956 -1.402 969 HA2 GLY 116 HA2 GLY 116 -14.060 9.108 -1.986 970 HA3 GLY 116 HA1 GLY 116 -13.041 10.533 -1.965 971 H ASP 117 HN ASP 117 -12.524 11.530 -3.876 972 HA ASP 117 HA ASP 117 -13.802 10.624 -6.351 973 HB2 ASP 117 HB2 ASP 117 -13.320 12.985 -7.102 974 HB3 ASP 117 HB3 ASP 117 -14.420 12.856 -5.777 975 H ILE 118 HN ILE 118 -10.599 10.485 -5.040 976 HA ILE 118 HA ILE 118 -9.335 10.848 -7.732 977 HB ILE 118 HB ILE 118 -8.172 11.304 -4.954 978 HG12 ILE 118 HG12 ILE 118 -8.925 13.349 -7.080 979 HG13 ILE 118 HG13 ILE 118 -9.876 13.014 -5.667 980 HG21 ILE 118 HG21 ILE 118 -6.222 12.322 -6.199 981 HG22 ILE 118 HG22 ILE 118 -6.357 10.612 -6.511 982 HG23 ILE 118 HG23 ILE 118 -6.918 11.773 -7.710 983 HD11 ILE 118 HD11 ILE 118 -8.767 14.727 -4.720 984 HD12 ILE 118 HD12 ILE 118 -7.463 13.578 -4.457 985 HD13 ILE 118 HD13 ILE 118 -7.439 14.645 -5.866 986 H VAL 119 HN VAL 119 -8.513 9.111 -8.637 987 HA VAL 119 HA VAL 119 -7.856 6.708 -7.048 988 HB VAL 119 HB VAL 119 -8.054 7.054 -10.070 989 HG11 VAL 119 HG11 VAL 119 -6.600 5.106 -9.404 990 HG12 VAL 119 HG12 VAL 119 -7.908 4.482 -8.422 991 HG13 VAL 119 HG13 VAL 119 -8.088 4.583 -10.166 992 HG21 VAL 119 HG21 VAL 119 -10.295 7.368 -9.074 993 HG22 VAL 119 HG22 VAL 119 -10.201 5.846 -9.939 994 HG23 VAL 119 HG23 VAL 119 -10.122 5.860 -8.187 995 H PHE 120 HN PHE 120 -5.819 7.161 -6.177 996 HA PHE 120 HA PHE 120 -3.593 8.180 -7.759 997 HB2 PHE 120 HB2 PHE 120 -3.716 8.726 -5.424 998 HB3 PHE 120 HB3 PHE 120 -3.879 7.066 -4.934 999 HD1 PHE 120 HD1 PHE 120 -1.541 9.458 -6.622 1000 HD2 PHE 120 HD2 PHE 120 -1.887 5.748 -4.449 1001 HE1 PHE 120 HE1 PHE 120 0.908 9.263 -6.523 1002 HE2 PHE 120 HE2 PHE 120 0.570 5.620 -4.318 1003 HZ PHE 120 HZ PHE 120 1.959 7.400 -5.319 1004 H LYS 121 HN LYS 121 -1.791 6.995 -8.553 1005 HA LYS 121 HA LYS 121 -1.743 4.086 -8.074 1006 HB2 LYS 121 HB2 LYS 121 -1.307 5.273 -10.875 1007 HB3 LYS 121 HB3 LYS 121 -0.989 3.657 -10.392 1008 HG2 LYS 121 HG2 LYS 121 -2.937 3.321 -11.443 1009 HG3 LYS 121 HG3 LYS 121 -3.477 3.413 -9.797 1010 HD2 LYS 121 HD2 LYS 121 -4.505 5.517 -10.084 1011 HD3 LYS 121 HD3 LYS 121 -3.563 5.947 -11.465 1012 HE2 LYS 121 HE2 LYS 121 -5.685 3.749 -11.485 1013 HE3 LYS 121 HE3 LYS 121 -5.952 5.408 -11.995 1014 HZ1 LYS 121 HZ1 LYS 121 -4.240 5.140 -13.648 1015 HZ2 LYS 121 HZ2 LYS 121 -5.453 4.036 -13.857 1016 HZ3 LYS 121 HZ3 LYS 121 -4.005 3.582 -13.203 1017 H ARG 122 HN ARG 122 0.290 3.129 -8.231 1018 HA ARG 122 HA ARG 122 2.644 4.809 -8.703 1019 HB2 ARG 122 HB2 ARG 122 1.827 4.013 -6.019 1020 HB3 ARG 122 HB3 ARG 122 3.236 3.077 -6.419 1021 HG2 ARG 122 HG2 ARG 122 4.423 5.099 -7.082 1022 HG3 ARG 122 HG3 ARG 122 3.078 6.126 -6.706 1023 HD2 ARG 122 HD2 ARG 122 4.244 6.367 -4.697 1024 HD3 ARG 122 HD3 ARG 122 3.395 4.918 -4.276 1025 HE ARG 122 HE ARG 122 6.196 5.020 -5.164 1026 HH11 ARG 122 HH11 ARG 122 3.587 3.033 -3.747 1027 HH12 ARG 122 HH12 ARG 122 4.694 1.819 -3.164 1028 HH21 ARG 122 HH21 ARG 122 7.590 3.457 -4.342 1029 HH22 ARG 122 HH22 ARG 122 6.958 2.055 -3.522 1030 H ILE 123 HN ILE 123 3.944 3.790 -10.059 1031 HA ILE 123 HA ILE 123 3.722 0.834 -10.407 1032 HB ILE 123 HB ILE 123 4.579 2.938 -12.448 1033 HG12 ILE 123 HG12 ILE 123 2.384 1.929 -13.602 1034 HG13 ILE 123 HG13 ILE 123 1.908 1.579 -11.972 1035 HG21 ILE 123 HG21 ILE 123 4.466 1.045 -14.077 1036 HG22 ILE 123 HG22 ILE 123 5.692 0.763 -12.871 1037 HG23 ILE 123 HG23 ILE 123 4.145 -0.073 -12.757 1038 HD11 ILE 123 HD11 ILE 123 1.184 3.848 -13.129 1039 HD12 ILE 123 HD12 ILE 123 1.680 3.918 -11.451 1040 HD13 ILE 123 HD13 ILE 123 2.796 4.412 -12.723 1041 H SER 124 HN SER 124 5.572 -0.317 -10.149 1042 HA SER 124 HA SER 124 8.191 1.022 -9.985 1043 HB2 SER 124 HB2 SER 124 8.402 0.766 -7.729 1044 HB3 SER 124 HB3 SER 124 6.686 0.592 -7.675 1045 HG SER 124 HG SER 124 6.958 -1.639 -7.695 1046 H LYS 125 HN LYS 125 10.002 -0.573 -9.901 1047 HA LYS 125 HA LYS 125 9.430 -3.200 -11.152 1048 HB2 LYS 125 HB2 LYS 125 9.814 -1.499 -12.954 1049 HB3 LYS 125 HB3 LYS 125 11.369 -1.106 -12.265 1050 HG2 LYS 125 HG2 LYS 125 12.123 -3.486 -12.745 1051 HG3 LYS 125 HG3 LYS 125 10.542 -3.824 -13.393 1052 HD2 LYS 125 HD2 LYS 125 11.169 -1.615 -14.900 1053 HD3 LYS 125 HD3 LYS 125 12.777 -2.153 -14.533 1054 HE2 LYS 125 HE2 LYS 125 10.625 -3.838 -15.920 1055 HE3 LYS 125 HE3 LYS 125 11.973 -3.043 -16.703 1056 HZ1 LYS 125 HZ1 LYS 125 12.146 -5.249 -14.770 1057 HZ2 LYS 125 HZ2 LYS 125 13.450 -4.430 -15.376 1058 HZ3 LYS 125 HZ3 LYS 125 12.462 -5.295 -16.374 1059 H ARG 126 HN ARG 126 11.002 -4.760 -10.705 1060 HA ARG 126 HA ARG 126 12.238 -4.626 -8.224 1061 HB2 ARG 126 HB2 ARG 126 11.371 -6.608 -9.282 1062 HB3 ARG 126 HB3 ARG 126 12.621 -6.583 -10.509 1063 HG2 ARG 126 HG2 ARG 126 14.340 -7.316 -8.954 1064 HG3 ARG 126 HG3 ARG 126 13.385 -6.728 -7.639 1065 HD2 ARG 126 HD2 ARG 126 13.465 -9.235 -7.852 1066 HD3 ARG 126 HD3 ARG 126 11.942 -8.483 -7.432 1067 HE ARG 126 HE ARG 126 12.304 -8.847 -10.298 1068 HH11 ARG 126 HH11 ARG 126 11.621 -10.729 -7.353 1069 HH12 ARG 126 HH12 ARG 126 10.818 -12.014 -8.212 1070 HH21 ARG 126 HH21 ARG 126 11.220 -10.536 -11.402 1071 HH22 ARG 126 HH22 ARG 126 10.570 -11.887 -10.518 1072 H ILE 127 HN ILE 127 14.315 -4.557 -7.440 1073 HA ILE 127 HA ILE 127 16.448 -3.428 -9.192 1074 HB ILE 127 HB ILE 127 16.584 -3.568 -6.156 1075 HG12 ILE 127 HG12 ILE 127 15.459 -1.190 -7.644 1076 HG13 ILE 127 HG13 ILE 127 14.510 -2.301 -6.711 1077 HG21 ILE 127 HG21 ILE 127 17.935 -1.706 -8.183 1078 HG22 ILE 127 HG22 ILE 127 18.261 -1.750 -6.456 1079 HG23 ILE 127 HG23 ILE 127 18.692 -3.117 -7.455 1080 HD11 ILE 127 HD11 ILE 127 15.941 -0.011 -5.720 1081 HD12 ILE 127 HD12 ILE 127 14.895 -1.119 -4.839 1082 HD13 ILE 127 HD13 ILE 127 16.612 -1.434 -4.942 Start of MODEL 9 1 H1 HIS -7 HN HIS -7 22.579 -15.045 -1.447 2 HA HIS -7 HA HIS -7 22.815 -15.836 -3.919 3 HB2 HIS -7 HB2 HIS -7 20.099 -14.852 -2.659 4 HB3 HIS -7 HB3 HIS -7 20.153 -15.855 -4.082 5 HD1 HIS -7 HD1 HIS -7 21.067 -16.098 -0.358 6 HD2 HIS -7 HD2 HIS -7 20.084 -18.606 -3.610 7 HE1 HIS -7 HE1 HIS -7 20.863 -18.463 0.492 8 H HIS -6 HN HIS -6 22.483 -15.301 -6.005 9 HA HIS -6 HA HIS -6 21.469 -12.645 -6.744 10 HB2 HIS -6 HB2 HIS -6 24.287 -13.691 -7.376 11 HB3 HIS -6 HB3 HIS -6 23.509 -12.470 -8.341 12 HD1 HIS -6 HD1 HIS -6 26.169 -12.219 -6.482 13 HD2 HIS -6 HD2 HIS -6 22.379 -10.512 -5.754 14 HE1 HIS -6 HE1 HIS -6 26.471 -10.219 -4.965 15 H HIS -5 HN HIS -5 20.549 -12.638 -8.732 16 HA HIS -5 HA HIS -5 19.556 -13.293 -10.569 17 HB2 HIS -5 HB2 HIS -5 21.376 -15.717 -10.897 18 HB3 HIS -5 HB3 HIS -5 20.596 -14.779 -12.135 19 HD1 HIS -5 HD1 HIS -5 21.560 -12.038 -12.079 20 HD2 HIS -5 HD2 HIS -5 24.089 -15.130 -10.719 21 HE1 HIS -5 HE1 HIS -5 23.943 -11.191 -12.103 22 H HIS -4 HN HIS -4 18.289 -15.178 -11.680 23 HA HIS -4 HA HIS -4 17.554 -17.464 -10.169 24 HB2 HIS -4 HB2 HIS -4 15.133 -16.726 -9.721 25 HB3 HIS -4 HB3 HIS -4 16.327 -16.119 -8.635 26 HD1 HIS -4 HD1 HIS -4 14.200 -14.928 -11.590 27 HD2 HIS -4 HD2 HIS -4 16.440 -13.305 -8.405 28 HE1 HIS -4 HE1 HIS -4 13.752 -12.440 -11.485 29 H HIS -3 HN HIS -3 15.919 -18.730 -11.180 30 HA HIS -3 HA HIS -3 14.917 -17.937 -13.808 31 HB2 HIS -3 HB2 HIS -3 15.780 -20.015 -14.879 32 HB3 HIS -3 HB3 HIS -3 17.039 -18.885 -14.482 33 HD1 HIS -3 HD1 HIS -3 18.684 -19.539 -12.468 34 HD2 HIS -3 HD2 HIS -3 16.048 -22.605 -13.663 35 HE1 HIS -3 HE1 HIS -3 19.511 -21.723 -11.497 36 H HIS -2 HN HIS -2 12.820 -18.390 -13.741 37 HA HIS -2 HA HIS -2 11.755 -20.906 -12.945 38 HB2 HIS -2 HB2 HIS -2 10.306 -20.003 -11.056 39 HB3 HIS -2 HB3 HIS -2 11.969 -20.246 -10.649 40 HD1 HIS -2 HD1 HIS -2 13.245 -18.282 -9.684 41 HD2 HIS -2 HD2 HIS -2 9.554 -17.102 -11.341 42 HE1 HIS -2 HE1 HIS -2 12.815 -15.868 -9.039 43 H VAL -1 HN VAL -1 9.583 -21.139 -13.489 44 HA VAL -1 HA VAL -1 8.347 -18.933 -15.090 45 HB VAL -1 HB VAL -1 7.962 -21.957 -15.304 46 HG11 VAL -1 HG11 VAL -1 6.654 -21.437 -17.372 47 HG12 VAL -1 HG12 VAL -1 5.859 -20.791 -15.957 48 HG13 VAL -1 HG13 VAL -1 6.768 -19.720 -17.014 49 HG21 VAL -1 HG21 VAL -1 9.060 -21.750 -17.533 50 HG22 VAL -1 HG22 VAL -1 9.431 -20.063 -17.191 51 HG23 VAL -1 HG23 VAL -1 10.158 -21.346 -16.231 52 H ALA 0 HN ALA 0 7.746 -18.049 -13.035 53 HA ALA 0 HA ALA 0 5.172 -18.741 -12.042 54 HB1 ALA 0 HB1 ALA 0 7.585 -19.369 -10.229 55 HB2 ALA 0 HB2 ALA 0 5.911 -19.326 -9.681 56 HB3 ALA 0 HB3 ALA 0 6.421 -20.549 -10.821 57 H MET 1 HN MET 1 4.847 -17.378 -9.895 58 HA MET 1 HA MET 1 6.321 -14.787 -10.042 59 HB2 MET 1 HB2 MET 1 4.161 -13.734 -9.264 60 HB3 MET 1 HB3 MET 1 4.177 -14.294 -10.892 61 HG2 MET 1 HG2 MET 1 2.028 -14.757 -9.881 62 HG3 MET 1 HG3 MET 1 2.792 -16.226 -10.377 63 HE1 MET 1 HE1 MET 1 3.352 -14.103 -7.036 64 HE2 MET 1 HE2 MET 1 1.586 -14.090 -7.129 65 HE3 MET 1 HE3 MET 1 2.397 -15.032 -5.884 66 H SER 2 HN SER 2 6.318 -13.610 -8.005 67 HA SER 2 HA SER 2 5.322 -14.707 -5.630 68 HB2 SER 2 HB2 SER 2 7.365 -16.197 -5.700 69 HB3 SER 2 HB3 SER 2 8.388 -14.779 -5.780 70 HG SER 2 HG SER 2 6.665 -15.599 -3.684 71 H PHE 3 HN PHE 3 5.182 -13.143 -4.060 72 HA PHE 3 HA PHE 3 5.466 -10.402 -4.886 73 HB2 PHE 3 HB2 PHE 3 4.471 -11.876 -2.447 74 HB3 PHE 3 HB3 PHE 3 4.662 -10.162 -2.362 75 HD1 PHE 3 HD1 PHE 3 3.264 -8.630 -3.738 76 HD2 PHE 3 HD2 PHE 3 2.697 -12.908 -3.857 77 HE1 PHE 3 HE1 PHE 3 1.041 -8.329 -4.758 78 HE2 PHE 3 HE2 PHE 3 0.481 -12.566 -4.874 79 HZ PHE 3 HZ PHE 3 -0.355 -10.281 -5.281 80 H SER 4 HN SER 4 7.558 -12.515 -2.974 81 HA SER 4 HA SER 4 8.788 -10.553 -1.378 82 HB2 SER 4 HB2 SER 4 9.571 -13.365 -2.260 83 HB3 SER 4 HB3 SER 4 10.598 -12.415 -1.202 84 HG SER 4 HG SER 4 9.127 -13.708 -0.050 85 H GLY 5 HN GLY 5 10.141 -8.916 -1.865 86 HA2 GLY 5 HA2 GLY 5 12.591 -8.964 -3.012 87 HA3 GLY 5 HA1 GLY 5 11.570 -8.751 -4.433 88 H LYS 6 HN LYS 6 13.204 -6.721 -4.100 89 HA LYS 6 HA LYS 6 11.670 -4.499 -2.819 90 HB2 LYS 6 HB2 LYS 6 14.061 -5.133 -1.936 91 HB3 LYS 6 HB3 LYS 6 14.641 -4.496 -3.446 92 HG2 LYS 6 HG2 LYS 6 13.093 -2.370 -2.676 93 HG3 LYS 6 HG3 LYS 6 13.297 -3.092 -1.115 94 HD2 LYS 6 HD2 LYS 6 15.517 -2.183 -2.980 95 HD3 LYS 6 HD3 LYS 6 14.952 -1.320 -1.576 96 HE2 LYS 6 HE2 LYS 6 15.777 -3.180 -0.108 97 HE3 LYS 6 HE3 LYS 6 16.351 -4.044 -1.525 98 HZ1 LYS 6 HZ1 LYS 6 17.243 -1.377 -0.689 99 HZ2 LYS 6 HZ2 LYS 6 17.776 -2.191 -2.023 100 HZ3 LYS 6 HZ3 LYS 6 18.081 -2.785 -0.516 101 H TYR 7 HN TYR 7 11.327 -2.652 -3.980 102 HA TYR 7 HA TYR 7 11.865 -2.642 -6.900 103 HB2 TYR 7 HB2 TYR 7 9.158 -2.073 -5.586 104 HB3 TYR 7 HB3 TYR 7 9.492 -2.197 -7.288 105 HD1 TYR 7 HD1 TYR 7 9.559 -4.402 -8.382 106 HD2 TYR 7 HD2 TYR 7 8.973 -4.060 -4.122 107 HE1 TYR 7 HE1 TYR 7 8.853 -6.767 -8.296 108 HE2 TYR 7 HE2 TYR 7 8.246 -6.423 -4.040 109 HH TYR 7 HH TYR 7 8.021 -8.461 -6.979 110 H GLN 8 HN GLN 8 12.102 -0.582 -7.780 111 HA GLN 8 HA GLN 8 12.016 1.794 -5.976 112 HB2 GLN 8 HB2 GLN 8 13.452 2.831 -7.599 113 HB3 GLN 8 HB3 GLN 8 14.115 1.294 -7.183 114 HG2 GLN 8 HG2 GLN 8 12.581 0.677 -9.486 115 HG3 GLN 8 HG3 GLN 8 13.110 2.300 -9.801 116 HE21 GLN 8 HE21 GLN 8 13.855 -0.855 -10.374 117 HE22 GLN 8 HE22 GLN 8 15.581 -0.728 -10.575 118 H LEU 9 HN LEU 9 10.797 3.694 -6.675 119 HA LEU 9 HA LEU 9 8.423 3.231 -8.218 120 HB2 LEU 9 HB2 LEU 9 9.672 5.522 -6.779 121 HB3 LEU 9 HB3 LEU 9 8.791 6.022 -8.176 122 HG LEU 9 HG LEU 9 7.625 4.291 -5.996 123 HD11 LEU 9 HD11 LEU 9 7.889 7.254 -6.227 124 HD12 LEU 9 HD12 LEU 9 7.682 6.234 -4.811 125 HD13 LEU 9 HD13 LEU 9 6.292 6.694 -5.762 126 HD21 LEU 9 HD21 LEU 9 5.533 5.567 -7.474 127 HD22 LEU 9 HD22 LEU 9 5.943 3.870 -7.466 128 HD23 LEU 9 HD23 LEU 9 6.631 4.940 -8.676 129 H GLN 10 HN GLN 10 7.835 3.826 -10.228 130 HA GLN 10 HA GLN 10 9.946 4.681 -12.164 131 HB2 GLN 10 HB2 GLN 10 7.570 2.794 -12.580 132 HB3 GLN 10 HB3 GLN 10 8.671 3.305 -13.819 133 HG2 GLN 10 HG2 GLN 10 9.508 1.653 -11.363 134 HG3 GLN 10 HG3 GLN 10 9.054 0.992 -12.905 135 HE21 GLN 10 HE21 GLN 10 11.514 3.035 -11.275 136 HE22 GLN 10 HE22 GLN 10 12.766 2.734 -12.451 137 H SER 11 HN SER 11 6.358 4.463 -11.763 138 HA SER 11 HA SER 11 6.077 7.283 -12.679 139 HB2 SER 11 HB2 SER 11 4.698 4.782 -13.820 140 HB3 SER 11 HB3 SER 11 4.076 6.400 -14.050 141 HG SER 11 HG SER 11 5.417 5.750 -15.750 142 H GLN 12 HN GLN 12 4.044 8.230 -12.169 143 HA GLN 12 HA GLN 12 2.274 6.929 -10.240 144 HB2 GLN 12 HB2 GLN 12 3.563 9.663 -9.671 145 HB3 GLN 12 HB3 GLN 12 2.322 8.882 -8.726 146 HG2 GLN 12 HG2 GLN 12 3.946 6.986 -8.262 147 HG3 GLN 12 HG3 GLN 12 5.216 7.933 -9.003 148 HE21 GLN 12 HE21 GLN 12 5.452 10.281 -8.070 149 HE22 GLN 12 HE22 GLN 12 5.330 10.400 -6.336 150 H GLU 13 HN GLU 13 0.224 8.213 -10.029 151 HA GLU 13 HA GLU 13 -0.127 10.490 -11.745 152 HB2 GLU 13 HB2 GLU 13 -0.342 8.343 -13.270 153 HB3 GLU 13 HB3 GLU 13 -1.859 8.093 -12.470 154 HG2 GLU 13 HG2 GLU 13 -2.807 10.138 -13.327 155 HG3 GLU 13 HG3 GLU 13 -1.239 10.761 -13.797 156 H ASN 14 HN ASN 14 -1.838 11.738 -11.118 157 HA ASN 14 HA ASN 14 -3.035 12.771 -9.627 158 HB2 ASN 14 HB2 ASN 14 -4.246 10.032 -8.958 159 HB3 ASN 14 HB3 ASN 14 -4.831 11.515 -8.284 160 HD21 ASN 14 HD21 ASN 14 -5.615 9.383 -10.600 161 HD22 ASN 14 HD22 ASN 14 -6.454 10.453 -11.695 162 H PHE 15 HN PHE 15 -0.338 11.858 -8.909 163 HA PHE 15 HA PHE 15 -0.186 11.131 -6.178 164 HB2 PHE 15 HB2 PHE 15 1.724 10.807 -7.567 165 HB3 PHE 15 HB3 PHE 15 1.794 12.478 -8.047 166 HD1 PHE 15 HD1 PHE 15 2.387 10.103 -5.232 167 HD2 PHE 15 HD2 PHE 15 2.786 14.191 -6.543 168 HE1 PHE 15 HE1 PHE 15 3.809 10.600 -3.297 169 HE2 PHE 15 HE2 PHE 15 4.134 14.670 -4.563 170 HZ PHE 15 HZ PHE 15 4.665 12.888 -2.941 171 H GLU 16 HN GLU 16 0.151 14.416 -7.649 172 HA GLU 16 HA GLU 16 0.224 15.783 -5.172 173 HB2 GLU 16 HB2 GLU 16 -0.575 16.813 -7.930 174 HB3 GLU 16 HB3 GLU 16 -0.215 17.810 -6.546 175 HG2 GLU 16 HG2 GLU 16 2.133 16.794 -6.497 176 HG3 GLU 16 HG3 GLU 16 1.756 15.944 -7.975 177 H ALA 17 HN ALA 17 -2.530 15.056 -7.381 178 HA ALA 17 HA ALA 17 -4.546 16.485 -6.083 179 HB1 ALA 17 HB1 ALA 17 -4.818 15.480 -8.317 180 HB2 ALA 17 HB2 ALA 17 -4.693 13.856 -7.649 181 HB3 ALA 17 HB3 ALA 17 -6.079 14.868 -7.254 182 H PHE 18 HN PHE 18 -3.507 13.087 -5.505 183 HA PHE 18 HA PHE 18 -5.338 12.557 -3.394 184 HB2 PHE 18 HB2 PHE 18 -4.402 10.823 -4.746 185 HB3 PHE 18 HB3 PHE 18 -2.763 11.237 -4.324 186 HD1 PHE 18 HD1 PHE 18 -1.814 10.638 -2.082 187 HD2 PHE 18 HD2 PHE 18 -5.829 9.511 -3.204 188 HE1 PHE 18 HE1 PHE 18 -1.920 9.066 -0.197 189 HE2 PHE 18 HE2 PHE 18 -5.881 7.927 -1.313 190 HZ PHE 18 HZ PHE 18 -3.950 7.723 0.191 191 H MET 19 HN MET 19 -1.873 13.589 -3.349 192 HA MET 19 HA MET 19 -1.611 13.431 -0.527 193 HB2 MET 19 HB2 MET 19 0.037 14.822 -2.657 194 HB3 MET 19 HB3 MET 19 0.473 14.796 -0.963 195 HG2 MET 19 HG2 MET 19 0.095 12.245 -2.582 196 HG3 MET 19 HG3 MET 19 1.626 13.052 -2.344 197 HE1 MET 19 HE1 MET 19 2.817 10.878 -1.252 198 HE2 MET 19 HE2 MET 19 1.928 9.819 -0.155 199 HE3 MET 19 HE3 MET 19 1.324 10.088 -1.797 200 H LYS 20 HN LYS 20 -2.578 16.187 -2.619 201 HA LYS 20 HA LYS 20 -2.675 18.079 -0.432 202 HB2 LYS 20 HB2 LYS 20 -3.981 18.081 -3.184 203 HB3 LYS 20 HB3 LYS 20 -4.041 19.429 -2.095 204 HG2 LYS 20 HG2 LYS 20 -1.465 18.260 -3.247 205 HG3 LYS 20 HG3 LYS 20 -2.307 19.603 -3.938 206 HD2 LYS 20 HD2 LYS 20 -1.122 19.620 -1.113 207 HD3 LYS 20 HD3 LYS 20 -0.216 20.017 -2.541 208 HE2 LYS 20 HE2 LYS 20 -0.854 22.089 -1.602 209 HE3 LYS 20 HE3 LYS 20 -1.856 21.900 -3.027 210 HZ1 LYS 20 HZ1 LYS 20 -2.652 21.325 -0.253 211 HZ2 LYS 20 HZ2 LYS 20 -3.625 21.165 -1.573 212 HZ3 LYS 20 HZ3 LYS 20 -3.079 22.655 -1.128 213 H ALA 21 HN ALA 21 -4.931 15.646 -1.742 214 HA ALA 21 HA ALA 21 -7.246 16.614 -0.338 215 HB1 ALA 21 HB1 ALA 21 -8.248 14.447 -1.047 216 HB2 ALA 21 HB2 ALA 21 -7.490 15.299 -2.381 217 HB3 ALA 21 HB3 ALA 21 -6.689 13.911 -1.653 218 H ILE 22 HN ILE 22 -4.724 14.144 0.451 219 HA ILE 22 HA ILE 22 -5.977 13.629 3.060 220 HB ILE 22 HB ILE 22 -4.092 12.173 3.521 221 HG12 ILE 22 HG12 ILE 22 -3.110 12.314 0.687 222 HG13 ILE 22 HG13 ILE 22 -2.432 13.402 1.852 223 HG21 ILE 22 HG21 ILE 22 -6.138 11.284 2.482 224 HG22 ILE 22 HG22 ILE 22 -5.419 11.496 0.883 225 HG23 ILE 22 HG23 ILE 22 -4.720 10.352 2.023 226 HD11 ILE 22 HD11 ILE 22 -2.305 10.358 1.790 227 HD12 ILE 22 HD12 ILE 22 -0.979 11.505 1.894 228 HD13 ILE 22 HD13 ILE 22 -1.999 11.212 3.296 229 H GLY 23 HN GLY 23 -4.201 16.194 1.916 230 HA2 GLY 23 HA2 GLY 23 -3.735 18.079 3.080 231 HA3 GLY 23 HA1 GLY 23 -4.166 17.268 4.568 232 H LEU 24 HN LEU 24 -1.538 16.060 2.433 233 HA LEU 24 HA LEU 24 0.443 16.198 4.486 234 HB2 LEU 24 HB2 LEU 24 0.293 15.458 1.561 235 HB3 LEU 24 HB3 LEU 24 1.866 15.829 2.125 236 HG LEU 24 HG LEU 24 1.032 13.402 2.128 237 HD11 LEU 24 HD11 LEU 24 2.869 12.885 3.279 238 HD12 LEU 24 HD12 LEU 24 2.299 13.625 4.767 239 HD13 LEU 24 HD13 LEU 24 3.099 14.597 3.541 240 HD21 LEU 24 HD21 LEU 24 -1.087 13.861 3.484 241 HD22 LEU 24 HD22 LEU 24 -0.065 14.007 4.887 242 HD23 LEU 24 HD23 LEU 24 -0.115 12.490 3.998 243 HA PRO 25 HA PRO 25 2.011 20.372 3.841 244 HB2 PRO 25 HB2 PRO 25 4.667 20.049 4.567 245 HB3 PRO 25 HB3 PRO 25 3.336 20.061 5.715 246 HG2 PRO 25 HG2 PRO 25 4.662 17.646 4.473 247 HG3 PRO 25 HG3 PRO 25 4.390 17.929 6.189 248 HD2 PRO 25 HD2 PRO 25 2.670 16.409 4.780 249 HD3 PRO 25 HD3 PRO 25 2.006 17.570 5.931 250 H GLU 26 HN GLU 26 2.876 21.531 2.155 251 HA GLU 26 HA GLU 26 3.127 20.328 -0.315 252 HB2 GLU 26 HB2 GLU 26 2.402 22.624 0.107 253 HB3 GLU 26 HB3 GLU 26 4.014 23.095 0.577 254 HG2 GLU 26 HG2 GLU 26 4.843 22.610 -1.748 255 HG3 GLU 26 HG3 GLU 26 3.234 22.082 -2.205 256 H GLU 27 HN GLU 27 5.724 20.996 1.967 257 HA GLU 27 HA GLU 27 8.025 20.585 0.446 258 HB2 GLU 27 HB2 GLU 27 8.056 21.362 2.738 259 HB3 GLU 27 HB3 GLU 27 7.261 19.929 3.317 260 HG2 GLU 27 HG2 GLU 27 9.334 18.567 2.738 261 HG3 GLU 27 HG3 GLU 27 10.099 20.028 2.154 262 H LEU 28 HN LEU 28 6.038 18.099 2.144 263 HA LEU 28 HA LEU 28 7.583 15.864 1.282 264 HB2 LEU 28 HB2 LEU 28 4.946 16.239 2.707 265 HB3 LEU 28 HB3 LEU 28 5.308 14.689 2.033 266 HG LEU 28 HG LEU 28 7.409 14.519 3.260 267 HD11 LEU 28 HD11 LEU 28 7.202 16.358 5.400 268 HD12 LEU 28 HD12 LEU 28 7.018 17.342 3.976 269 HD13 LEU 28 HD13 LEU 28 8.435 16.321 4.154 270 HD21 LEU 28 HD21 LEU 28 5.321 13.535 4.154 271 HD22 LEU 28 HD22 LEU 28 5.038 14.998 5.098 272 HD23 LEU 28 HD23 LEU 28 6.441 13.986 5.428 273 H ILE 29 HN ILE 29 4.941 17.627 -0.242 274 HA ILE 29 HA ILE 29 4.378 15.584 -2.231 275 HB ILE 29 HB ILE 29 3.647 18.511 -1.982 276 HG12 ILE 29 HG12 ILE 29 1.624 16.327 -2.088 277 HG13 ILE 29 HG13 ILE 29 2.590 16.357 -0.652 278 HG21 ILE 29 HG21 ILE 29 2.731 16.650 -4.218 279 HG22 ILE 29 HG22 ILE 29 2.045 18.231 -3.874 280 HG23 ILE 29 HG23 ILE 29 3.696 18.103 -4.435 281 HD11 ILE 29 HD11 ILE 29 0.316 17.763 -0.824 282 HD12 ILE 29 HD12 ILE 29 1.673 18.292 0.158 283 HD13 ILE 29 HD13 ILE 29 1.423 19.003 -1.427 284 H GLN 30 HN GLN 30 6.229 18.724 -2.206 285 HA GLN 30 HA GLN 30 7.111 18.519 -4.886 286 HB2 GLN 30 HB2 GLN 30 8.402 20.000 -2.534 287 HB3 GLN 30 HB3 GLN 30 8.855 20.190 -4.195 288 HG2 GLN 30 HG2 GLN 30 6.614 21.427 -2.738 289 HG3 GLN 30 HG3 GLN 30 7.547 22.030 -4.050 290 HE21 GLN 30 HE21 GLN 30 4.519 20.710 -3.124 291 HE22 GLN 30 HE22 GLN 30 3.833 20.549 -4.723 292 H LYS 31 HN LYS 31 8.713 17.389 -1.865 293 HA LYS 31 HA LYS 31 10.988 16.357 -3.342 294 HB2 LYS 31 HB2 LYS 31 11.961 15.869 -1.314 295 HB3 LYS 31 HB3 LYS 31 11.144 17.373 -1.102 296 HG2 LYS 31 HG2 LYS 31 10.408 16.452 0.827 297 HG3 LYS 31 HG3 LYS 31 9.201 15.691 -0.167 298 HD2 LYS 31 HD2 LYS 31 10.425 13.601 -0.276 299 HD3 LYS 31 HD3 LYS 31 11.862 14.307 0.401 300 HE2 LYS 31 HE2 LYS 31 9.207 13.984 1.894 301 HE3 LYS 31 HE3 LYS 31 10.571 12.891 2.024 302 HZ1 LYS 31 HZ1 LYS 31 11.900 14.683 2.857 303 HZ2 LYS 31 HZ2 LYS 31 10.564 14.460 3.796 304 HZ3 LYS 31 HZ3 LYS 31 10.633 15.730 2.748 305 H GLY 32 HN GLY 32 7.816 15.168 -2.745 306 HA2 GLY 32 HA2 GLY 32 8.532 12.299 -2.729 307 HA3 GLY 32 HA1 GLY 32 6.946 13.019 -2.590 308 H LYS 33 HN LYS 33 7.658 14.820 -5.088 309 HA LYS 33 HA LYS 33 6.913 12.794 -7.112 310 HB2 LYS 33 HB2 LYS 33 6.148 14.661 -8.486 311 HB3 LYS 33 HB3 LYS 33 5.321 14.492 -6.984 312 HG2 LYS 33 HG2 LYS 33 5.638 16.623 -6.503 313 HG3 LYS 33 HG3 LYS 33 7.354 16.393 -6.416 314 HD2 LYS 33 HD2 LYS 33 5.832 17.054 -8.974 315 HD3 LYS 33 HD3 LYS 33 6.553 18.244 -7.928 316 HE2 LYS 33 HE2 LYS 33 8.820 17.166 -8.310 317 HE3 LYS 33 HE3 LYS 33 8.073 16.070 -9.467 318 HZ1 LYS 33 HZ1 LYS 33 9.039 17.953 -10.527 319 HZ2 LYS 33 HZ2 LYS 33 8.111 18.996 -9.648 320 HZ3 LYS 33 HZ3 LYS 33 7.402 17.982 -10.739 321 H ASP 34 HN ASP 34 9.607 15.141 -6.454 322 HA ASP 34 HA ASP 34 10.696 14.637 -9.112 323 HB2 ASP 34 HB2 ASP 34 12.701 15.906 -8.423 324 HB3 ASP 34 HB3 ASP 34 11.189 16.792 -8.438 325 H ILE 35 HN ILE 35 11.811 13.886 -5.782 326 HA ILE 35 HA ILE 35 13.618 11.772 -6.646 327 HB ILE 35 HB ILE 35 12.519 12.449 -3.881 328 HG12 ILE 35 HG12 ILE 35 15.286 13.156 -4.902 329 HG13 ILE 35 HG13 ILE 35 13.959 14.268 -5.018 330 HG21 ILE 35 HG21 ILE 35 14.427 11.135 -2.955 331 HG22 ILE 35 HG22 ILE 35 13.329 10.123 -3.852 332 HG23 ILE 35 HG23 ILE 35 14.853 10.623 -4.581 333 HD11 ILE 35 HD11 ILE 35 13.649 13.911 -2.423 334 HD12 ILE 35 HD12 ILE 35 15.302 13.298 -2.489 335 HD13 ILE 35 HD13 ILE 35 14.948 14.940 -3.010 336 H LYS 36 HN LYS 36 13.002 9.729 -7.072 337 HA LYS 36 HA LYS 36 10.250 8.841 -6.565 338 HB2 LYS 36 HB2 LYS 36 12.581 7.824 -8.230 339 HB3 LYS 36 HB3 LYS 36 11.281 6.761 -7.812 340 HG2 LYS 36 HG2 LYS 36 10.768 7.656 -9.959 341 HG3 LYS 36 HG3 LYS 36 9.593 8.240 -8.817 342 HD2 LYS 36 HD2 LYS 36 10.788 10.453 -8.718 343 HD3 LYS 36 HD3 LYS 36 11.994 9.853 -9.825 344 HE2 LYS 36 HE2 LYS 36 10.473 11.190 -11.108 345 HE3 LYS 36 HE3 LYS 36 10.078 9.533 -11.534 346 HZ1 LYS 36 HZ1 LYS 36 8.140 10.819 -11.078 347 HZ2 LYS 36 HZ2 LYS 36 8.684 11.236 -9.578 348 HZ3 LYS 36 HZ3 LYS 36 8.285 9.665 -9.907 349 H GLY 37 HN GLY 37 9.654 7.524 -5.001 350 HA2 GLY 37 HA2 GLY 37 11.401 6.813 -2.811 351 HA3 GLY 37 HA1 GLY 37 9.701 6.427 -3.006 352 H VAL 38 HN VAL 38 10.816 4.466 -1.930 353 HA VAL 38 HA VAL 38 11.243 2.339 -3.950 354 HB VAL 38 HB VAL 38 12.859 2.681 -1.364 355 HG11 VAL 38 HG11 VAL 38 14.288 0.840 -2.223 356 HG12 VAL 38 HG12 VAL 38 12.663 0.285 -1.907 357 HG13 VAL 38 HG13 VAL 38 13.185 0.611 -3.565 358 HG21 VAL 38 HG21 VAL 38 13.712 4.366 -2.895 359 HG22 VAL 38 HG22 VAL 38 14.867 3.057 -2.791 360 HG23 VAL 38 HG23 VAL 38 13.820 3.182 -4.199 361 H SER 39 HN SER 39 10.588 0.224 -3.104 362 HA SER 39 HA SER 39 9.127 0.139 -0.565 363 HB2 SER 39 HB2 SER 39 7.782 -0.034 -3.313 364 HB3 SER 39 HB3 SER 39 7.133 -0.922 -1.948 365 HG SER 39 HG SER 39 7.743 1.795 -1.657 366 H GLU 40 HN GLU 40 9.043 -1.885 0.303 367 HA GLU 40 HA GLU 40 10.206 -4.131 -1.281 368 HB2 GLU 40 HB2 GLU 40 11.679 -2.952 0.616 369 HB3 GLU 40 HB3 GLU 40 10.584 -3.800 1.686 370 HG2 GLU 40 HG2 GLU 40 11.224 -5.976 0.906 371 HG3 GLU 40 HG3 GLU 40 12.204 -5.294 -0.374 372 H ILE 41 HN ILE 41 9.269 -6.078 -0.983 373 HA ILE 41 HA ILE 41 6.840 -6.283 0.744 374 HB ILE 41 HB ILE 41 7.240 -7.330 -2.096 375 HG12 ILE 41 HG12 ILE 41 5.307 -5.146 -1.252 376 HG13 ILE 41 HG13 ILE 41 6.811 -4.843 -2.067 377 HG21 ILE 41 HG21 ILE 41 5.814 -8.886 -0.827 378 HG22 ILE 41 HG22 ILE 41 4.859 -7.549 -0.202 379 HG23 ILE 41 HG23 ILE 41 4.774 -7.975 -1.904 380 HD11 ILE 41 HD11 ILE 41 4.284 -5.875 -3.230 381 HD12 ILE 41 HD12 ILE 41 5.561 -4.915 -3.968 382 HD13 ILE 41 HD13 ILE 41 5.740 -6.657 -3.837 383 H VAL 42 HN VAL 42 6.763 -8.231 1.853 384 HA VAL 42 HA VAL 42 8.610 -10.423 1.084 385 HB VAL 42 HB VAL 42 8.346 -9.552 3.996 386 HG11 VAL 42 HG11 VAL 42 9.011 -11.934 3.481 387 HG12 VAL 42 HG12 VAL 42 10.417 -11.329 2.633 388 HG13 VAL 42 HG13 VAL 42 10.245 -11.047 4.363 389 HG21 VAL 42 HG21 VAL 42 9.528 -7.661 2.982 390 HG22 VAL 42 HG22 VAL 42 10.658 -8.629 3.904 391 HG23 VAL 42 HG23 VAL 42 10.633 -8.753 2.149 392 H GLN 43 HN GLN 43 7.267 -12.059 0.714 393 HA GLN 43 HA GLN 43 4.652 -12.267 2.108 394 HB2 GLN 43 HB2 GLN 43 4.683 -12.170 -0.322 395 HB3 GLN 43 HB3 GLN 43 5.821 -13.491 -0.420 396 HG2 GLN 43 HG2 GLN 43 4.006 -14.984 0.678 397 HG3 GLN 43 HG3 GLN 43 2.909 -13.631 0.533 398 HE21 GLN 43 HE21 GLN 43 1.629 -15.218 -0.746 399 HE22 GLN 43 HE22 GLN 43 2.023 -15.485 -2.425 400 H ASN 44 HN ASN 44 4.464 -13.665 3.753 401 HA ASN 44 HA ASN 44 6.469 -15.875 4.148 402 HB2 ASN 44 HB2 ASN 44 5.109 -14.211 6.299 403 HB3 ASN 44 HB3 ASN 44 6.427 -15.330 6.511 404 HD21 ASN 44 HD21 ASN 44 5.875 -12.237 6.937 405 HD22 ASN 44 HD22 ASN 44 7.349 -11.524 6.342 406 H GLY 45 HN GLY 45 4.174 -16.402 2.673 407 HA2 GLY 45 HA2 GLY 45 2.480 -17.974 2.625 408 HA3 GLY 45 HA1 GLY 45 2.748 -18.363 4.319 409 H LYS 46 HN LYS 46 1.110 -17.682 5.681 410 HA LYS 46 HA LYS 46 -0.853 -15.745 4.833 411 HB2 LYS 46 HB2 LYS 46 -0.579 -17.733 7.037 412 HB3 LYS 46 HB3 LYS 46 -1.317 -16.263 7.561 413 HG2 LYS 46 HG2 LYS 46 -2.361 -17.976 5.292 414 HG3 LYS 46 HG3 LYS 46 -3.025 -17.819 6.892 415 HD2 LYS 46 HD2 LYS 46 -3.148 -15.206 6.254 416 HD3 LYS 46 HD3 LYS 46 -3.045 -15.803 4.625 417 HE2 LYS 46 HE2 LYS 46 -5.358 -15.591 5.002 418 HE3 LYS 46 HE3 LYS 46 -5.059 -17.318 5.098 419 HZ1 LYS 46 HZ1 LYS 46 -5.007 -17.057 7.512 420 HZ2 LYS 46 HZ2 LYS 46 -6.439 -16.537 6.878 421 HZ3 LYS 46 HZ3 LYS 46 -5.303 -15.439 7.347 422 H HIS 47 HN HIS 47 2.068 -15.543 6.832 423 HA HIS 47 HA HIS 47 1.388 -12.847 7.760 424 HB2 HIS 47 HB2 HIS 47 3.482 -14.819 8.361 425 HB3 HIS 47 HB3 HIS 47 4.192 -13.269 8.026 426 HD1 HIS 47 HD1 HIS 47 2.815 -11.135 9.347 427 HD2 HIS 47 HD2 HIS 47 2.930 -14.962 11.123 428 HE1 HIS 47 HE1 HIS 47 2.416 -10.875 11.825 429 H PHE 48 HN PHE 48 2.508 -10.944 7.120 430 HA PHE 48 HA PHE 48 3.795 -10.901 4.471 431 HB2 PHE 48 HB2 PHE 48 1.223 -10.905 4.238 432 HB3 PHE 48 HB3 PHE 48 1.191 -9.428 5.143 433 HD1 PHE 48 HD1 PHE 48 2.277 -7.319 4.122 434 HD2 PHE 48 HD2 PHE 48 1.855 -11.000 1.908 435 HE1 PHE 48 HE1 PHE 48 2.567 -6.099 2.003 436 HE2 PHE 48 HE2 PHE 48 2.154 -9.746 -0.191 437 HZ PHE 48 HZ PHE 48 2.465 -7.302 -0.143 438 H LYS 49 HN LYS 49 5.207 -9.212 4.338 439 HA LYS 49 HA LYS 49 5.089 -7.050 6.366 440 HB2 LYS 49 HB2 LYS 49 7.222 -9.023 6.000 441 HB3 LYS 49 HB3 LYS 49 7.814 -7.485 5.479 442 HG2 LYS 49 HG2 LYS 49 6.796 -6.573 7.759 443 HG3 LYS 49 HG3 LYS 49 6.725 -8.257 8.190 444 HD2 LYS 49 HD2 LYS 49 8.756 -7.498 9.102 445 HD3 LYS 49 HD3 LYS 49 9.237 -8.388 7.682 446 HE2 LYS 49 HE2 LYS 49 9.518 -6.259 6.392 447 HE3 LYS 49 HE3 LYS 49 8.919 -5.336 7.758 448 HZ1 LYS 49 HZ1 LYS 49 11.348 -6.973 7.758 449 HZ2 LYS 49 HZ2 LYS 49 10.781 -6.096 9.034 450 HZ3 LYS 49 HZ3 LYS 49 11.277 -5.329 7.661 451 H PHE 50 HN PHE 50 5.778 -5.051 5.740 452 HA PHE 50 HA PHE 50 6.162 -4.528 2.850 453 HB2 PHE 50 HB2 PHE 50 3.672 -4.368 4.034 454 HB3 PHE 50 HB3 PHE 50 4.239 -2.789 4.444 455 HD1 PHE 50 HD1 PHE 50 5.842 -2.266 1.750 456 HD2 PHE 50 HD2 PHE 50 1.874 -3.698 2.682 457 HE1 PHE 50 HE1 PHE 50 5.015 -1.421 -0.391 458 HE2 PHE 50 HE2 PHE 50 1.082 -2.831 0.524 459 HZ PHE 50 HZ PHE 50 2.646 -1.716 -1.019 460 H THR 51 HN THR 51 7.842 -3.135 2.642 461 HA THR 51 HA THR 51 8.446 -1.171 4.820 462 HB THR 51 HB THR 51 10.326 -1.961 2.559 463 HG1 THR 51 HG1 THR 51 11.380 -3.266 4.004 464 HG21 THR 51 HG21 THR 51 12.078 -0.930 3.938 465 HG22 THR 51 HG22 THR 51 10.877 -0.462 5.136 466 HG23 THR 51 HG23 THR 51 10.832 0.235 3.522 467 H ILE 52 HN ILE 52 8.000 0.909 4.251 468 HA ILE 52 HA ILE 52 7.557 1.615 1.371 469 HB ILE 52 HB ILE 52 6.157 2.845 3.808 470 HG12 ILE 52 HG12 ILE 52 4.062 1.800 2.639 471 HG13 ILE 52 HG13 ILE 52 5.176 0.693 1.904 472 HG21 ILE 52 HG21 ILE 52 5.689 3.246 0.818 473 HG22 ILE 52 HG22 ILE 52 4.746 3.975 2.113 474 HG23 ILE 52 HG23 ILE 52 6.422 4.421 1.903 475 HD11 ILE 52 HD11 ILE 52 3.917 0.330 4.356 476 HD12 ILE 52 HD12 ILE 52 5.384 -0.511 3.889 477 HD13 ILE 52 HD13 ILE 52 5.477 0.931 4.894 478 H THR 53 HN THR 53 9.335 2.730 0.802 479 HA THR 53 HA THR 53 10.728 4.417 2.819 480 HB THR 53 HB THR 53 11.707 2.818 0.439 481 HG1 THR 53 HG1 THR 53 13.008 1.929 2.131 482 HG21 THR 53 HG21 THR 53 14.045 3.547 1.081 483 HG22 THR 53 HG22 THR 53 13.346 4.787 2.119 484 HG23 THR 53 HG23 THR 53 13.116 4.849 0.375 485 H ALA 54 HN ALA 54 10.025 6.442 2.553 486 HA ALA 54 HA ALA 54 9.521 7.733 -0.009 487 HB1 ALA 54 HB1 ALA 54 9.192 9.734 1.460 488 HB2 ALA 54 HB2 ALA 54 8.295 8.359 2.072 489 HB3 ALA 54 HB3 ALA 54 9.809 8.828 2.840 490 H GLY 55 HN GLY 55 10.748 10.124 0.095 491 HA2 GLY 55 HA2 GLY 55 13.161 9.756 -1.184 492 HA3 GLY 55 HA1 GLY 55 12.614 11.269 -0.497 493 H SER 56 HN SER 56 12.713 10.156 2.354 494 HA SER 56 HA SER 56 15.363 9.208 2.852 495 HB2 SER 56 HB2 SER 56 16.277 11.124 4.064 496 HB3 SER 56 HB3 SER 56 15.931 11.610 2.430 497 HG SER 56 HG SER 56 15.210 13.107 3.997 498 H LYS 57 HN LYS 57 12.457 8.622 3.456 499 HA LYS 57 HA LYS 57 12.788 8.142 6.369 500 HB2 LYS 57 HB2 LYS 57 10.621 9.582 4.955 501 HB3 LYS 57 HB3 LYS 57 9.973 8.182 5.714 502 HG2 LYS 57 HG2 LYS 57 11.579 10.359 7.109 503 HG3 LYS 57 HG3 LYS 57 9.851 10.210 7.138 504 HD2 LYS 57 HD2 LYS 57 11.842 8.251 8.393 505 HD3 LYS 57 HD3 LYS 57 10.886 9.414 9.238 506 HE2 LYS 57 HE2 LYS 57 9.724 7.026 7.702 507 HE3 LYS 57 HE3 LYS 57 9.986 7.090 9.427 508 HZ1 LYS 57 HZ1 LYS 57 8.458 8.914 9.560 509 HZ2 LYS 57 HZ2 LYS 57 7.751 7.589 8.886 510 HZ3 LYS 57 HZ3 LYS 57 8.192 8.859 7.933 511 H VAL 58 HN VAL 58 11.901 6.149 7.120 512 HA VAL 58 HA VAL 58 11.030 4.184 5.069 513 HB VAL 58 HB VAL 58 13.025 3.579 7.307 514 HG11 VAL 58 HG11 VAL 58 11.564 1.619 6.758 515 HG12 VAL 58 HG12 VAL 58 11.993 1.788 5.065 516 HG13 VAL 58 HG13 VAL 58 13.214 1.337 6.247 517 HG21 VAL 58 HG21 VAL 58 14.692 3.126 5.499 518 HG22 VAL 58 HG22 VAL 58 13.570 3.781 4.312 519 HG23 VAL 58 HG23 VAL 58 14.243 4.817 5.567 520 H ILE 59 HN ILE 59 9.219 3.197 5.679 521 HA ILE 59 HA ILE 59 8.362 3.137 8.545 522 HB ILE 59 HB ILE 59 6.709 3.536 6.003 523 HG12 ILE 59 HG12 ILE 59 7.016 5.410 8.379 524 HG13 ILE 59 HG13 ILE 59 7.891 5.593 6.887 525 HG21 ILE 59 HG21 ILE 59 5.684 3.197 8.864 526 HG22 ILE 59 HG22 ILE 59 4.694 3.691 7.497 527 HG23 ILE 59 HG23 ILE 59 5.395 2.097 7.516 528 HD11 ILE 59 HD11 ILE 59 6.160 7.027 6.427 529 HD12 ILE 59 HD12 ILE 59 5.418 5.563 5.796 530 HD13 ILE 59 HD13 ILE 59 4.996 6.141 7.407 531 H GLN 60 HN GLN 60 7.854 1.096 9.259 532 HA GLN 60 HA GLN 60 7.753 -1.153 7.288 533 HB2 GLN 60 HB2 GLN 60 9.200 -1.061 9.977 534 HB3 GLN 60 HB3 GLN 60 9.035 -2.459 8.970 535 HG2 GLN 60 HG2 GLN 60 10.863 -1.939 7.765 536 HG3 GLN 60 HG3 GLN 60 10.194 -0.415 7.281 537 HE21 GLN 60 HE21 GLN 60 10.284 1.381 9.128 538 HE22 GLN 60 HE22 GLN 60 11.816 1.475 9.955 539 H ASN 61 HN ASN 61 6.044 -2.467 7.537 540 HA ASN 61 HA ASN 61 4.664 -2.668 10.140 541 HB2 ASN 61 HB2 ASN 61 3.325 -1.988 7.454 542 HB3 ASN 61 HB3 ASN 61 2.448 -2.609 8.825 543 HD21 ASN 61 HD21 ASN 61 3.717 0.262 7.408 544 HD22 ASN 61 HD22 ASN 61 3.343 1.343 8.722 545 H GLU 62 HN GLU 62 3.725 -4.648 10.502 546 HA GLU 62 HA GLU 62 3.920 -6.783 8.458 547 HB2 GLU 62 HB2 GLU 62 5.857 -6.956 10.029 548 HB3 GLU 62 HB3 GLU 62 4.778 -6.933 11.387 549 HG2 GLU 62 HG2 GLU 62 3.763 -9.114 10.666 550 HG3 GLU 62 HG3 GLU 62 4.791 -9.137 9.253 551 H PHE 63 HN PHE 63 2.253 -8.282 8.538 552 HA PHE 63 HA PHE 63 0.302 -8.333 10.661 553 HB2 PHE 63 HB2 PHE 63 -1.620 -7.664 9.213 554 HB3 PHE 63 HB3 PHE 63 -0.556 -6.344 9.597 555 HD1 PHE 63 HD1 PHE 63 -1.643 -8.668 6.874 556 HD2 PHE 63 HD2 PHE 63 0.688 -5.168 7.860 557 HE1 PHE 63 HE1 PHE 63 -1.368 -8.146 4.484 558 HE2 PHE 63 HE2 PHE 63 0.915 -4.667 5.462 559 HZ PHE 63 HZ PHE 63 -0.118 -6.144 3.785 560 H THR 64 HN THR 64 -1.421 -9.886 10.284 561 HA THR 64 HA THR 64 -0.654 -12.116 8.465 562 HB THR 64 HB THR 64 -2.609 -11.980 10.817 563 HG1 THR 64 HG1 THR 64 -0.416 -12.054 11.353 564 HG21 THR 64 HG21 THR 64 -2.768 -14.482 10.557 565 HG22 THR 64 HG22 THR 64 -1.890 -14.374 9.034 566 HG23 THR 64 HG23 THR 64 -3.493 -13.658 9.191 567 H VAL 65 HN VAL 65 -1.793 -12.392 6.651 568 HA VAL 65 HA VAL 65 -3.736 -10.541 5.719 569 HB VAL 65 HB VAL 65 -2.809 -13.270 4.715 570 HG11 VAL 65 HG11 VAL 65 -3.682 -12.717 2.482 571 HG12 VAL 65 HG12 VAL 65 -5.015 -12.783 3.613 572 HG13 VAL 65 HG13 VAL 65 -4.362 -11.224 3.091 573 HG21 VAL 65 HG21 VAL 65 -1.001 -11.564 4.767 574 HG22 VAL 65 HG22 VAL 65 -1.422 -11.971 3.115 575 HG23 VAL 65 HG23 VAL 65 -1.996 -10.464 3.821 576 H GLY 66 HN GLY 66 -5.933 -10.621 5.641 577 HA2 GLY 66 HA2 GLY 66 -8.079 -11.426 5.777 578 HA3 GLY 66 HA1 GLY 66 -7.521 -13.005 6.285 579 H GLU 67 HN GLU 67 -5.828 -11.183 8.416 580 HA GLU 67 HA GLU 67 -8.009 -10.918 10.441 581 HB2 GLU 67 HB2 GLU 67 -5.003 -11.450 10.624 582 HB3 GLU 67 HB3 GLU 67 -5.905 -10.906 11.999 583 HG2 GLU 67 HG2 GLU 67 -6.570 -13.480 10.473 584 HG3 GLU 67 HG3 GLU 67 -5.525 -13.411 11.869 585 H GLU 68 HN GLU 68 -8.201 -9.049 11.593 586 HA GLU 68 HA GLU 68 -7.558 -6.598 10.340 587 HB2 GLU 68 HB2 GLU 68 -8.546 -7.276 13.142 588 HB3 GLU 68 HB3 GLU 68 -8.387 -5.638 12.569 589 HG2 GLU 68 HG2 GLU 68 -10.013 -6.072 10.736 590 HG3 GLU 68 HG3 GLU 68 -10.157 -7.748 11.217 591 H CYS 69 HN CYS 69 -6.109 -5.035 10.689 592 HA CYS 69 HA CYS 69 -3.917 -5.334 12.598 593 HB2 CYS 69 HB2 CYS 69 -2.204 -5.448 10.853 594 HB3 CYS 69 HB3 CYS 69 -3.255 -6.842 10.723 595 HG CYS 69 HG CYS 69 -4.709 -5.986 8.781 596 H GLU 70 HN GLU 70 -2.386 -3.522 12.438 597 HA GLU 70 HA GLU 70 -3.780 -1.001 11.654 598 HB2 GLU 70 HB2 GLU 70 -3.761 -1.542 14.078 599 HB3 GLU 70 HB3 GLU 70 -2.023 -1.631 14.057 600 HG2 GLU 70 HG2 GLU 70 -1.873 0.772 13.445 601 HG3 GLU 70 HG3 GLU 70 -3.620 0.889 13.352 602 H LEU 71 HN LEU 71 -2.803 -0.001 10.055 603 HA LEU 71 HA LEU 71 0.112 -0.380 9.510 604 HB2 LEU 71 HB2 LEU 71 -2.355 0.030 7.783 605 HB3 LEU 71 HB3 LEU 71 -0.862 0.739 7.254 606 HG LEU 71 HG LEU 71 0.292 -1.418 7.334 607 HD11 LEU 71 HD11 LEU 71 -1.658 -3.417 7.242 608 HD12 LEU 71 HD12 LEU 71 -2.205 -2.419 8.569 609 HD13 LEU 71 HD13 LEU 71 -0.583 -3.090 8.586 610 HD21 LEU 71 HD21 LEU 71 -1.897 -2.097 5.458 611 HD22 LEU 71 HD22 LEU 71 -0.204 -1.736 5.160 612 HD23 LEU 71 HD23 LEU 71 -1.367 -0.436 5.335 613 H GLU 72 HN GLU 72 1.360 1.432 9.094 614 HA GLU 72 HA GLU 72 0.384 3.980 10.250 615 HB2 GLU 72 HB2 GLU 72 2.379 2.810 11.167 616 HB3 GLU 72 HB3 GLU 72 3.181 2.944 9.632 617 HG2 GLU 72 HG2 GLU 72 3.101 5.448 9.793 618 HG3 GLU 72 HG3 GLU 72 2.301 5.323 11.344 619 H THR 73 HN THR 73 -0.140 5.626 8.982 620 HA THR 73 HA THR 73 0.357 5.769 6.116 621 HB THR 73 HB THR 73 -0.746 7.812 8.133 622 HG1 THR 73 HG1 THR 73 -2.034 6.047 8.076 623 HG21 THR 73 HG21 THR 73 -1.957 8.811 6.148 624 HG22 THR 73 HG22 THR 73 -0.959 7.833 5.077 625 HG23 THR 73 HG23 THR 73 -0.237 9.086 6.089 626 H MET 74 HN MET 74 1.494 7.757 5.153 627 HA MET 74 HA MET 74 4.113 8.112 6.129 628 HB2 MET 74 HB2 MET 74 2.530 9.817 4.168 629 HB3 MET 74 HB3 MET 74 4.245 9.956 4.431 630 HG2 MET 74 HG2 MET 74 4.470 7.491 3.757 631 HG3 MET 74 HG3 MET 74 2.785 7.539 3.284 632 HE1 MET 74 HE1 MET 74 5.027 6.619 1.285 633 HE2 MET 74 HE2 MET 74 3.314 6.752 0.854 634 HE3 MET 74 HE3 MET 74 4.547 7.484 -0.182 635 H THR 75 HN THR 75 1.215 9.900 6.982 636 HA THR 75 HA THR 75 2.489 12.157 8.262 637 HB THR 75 HB THR 75 0.198 12.479 9.226 638 HG1 THR 75 HG1 THR 75 -1.441 11.046 8.640 639 HG21 THR 75 HG21 THR 75 0.038 11.808 6.257 640 HG22 THR 75 HG22 THR 75 0.613 13.331 6.941 641 HG23 THR 75 HG23 THR 75 -1.066 12.843 7.159 642 H GLY 76 HN GLY 76 2.193 8.827 9.143 643 HA2 GLY 76 HA2 GLY 76 2.959 7.805 11.073 644 HA3 GLY 76 HA1 GLY 76 2.914 9.307 11.971 645 H GLU 77 HN GLU 77 -0.068 9.235 10.339 646 HA GLU 77 HA GLU 77 -1.571 8.464 12.658 647 HB2 GLU 77 HB2 GLU 77 -2.398 9.038 9.786 648 HB3 GLU 77 HB3 GLU 77 -3.532 8.581 11.021 649 HG2 GLU 77 HG2 GLU 77 -2.733 10.570 12.421 650 HG3 GLU 77 HG3 GLU 77 -1.760 11.083 11.062 651 H LYS 78 HN LYS 78 -1.899 6.503 13.378 652 HA LYS 78 HA LYS 78 -1.580 4.187 11.637 653 HB2 LYS 78 HB2 LYS 78 -1.808 4.528 14.648 654 HB3 LYS 78 HB3 LYS 78 -1.861 2.979 13.857 655 HG2 LYS 78 HG2 LYS 78 0.313 3.529 12.662 656 HG3 LYS 78 HG3 LYS 78 0.444 4.955 13.652 657 HD2 LYS 78 HD2 LYS 78 0.531 3.547 15.696 658 HD3 LYS 78 HD3 LYS 78 0.267 2.108 14.738 659 HE2 LYS 78 HE2 LYS 78 2.406 2.544 13.484 660 HE3 LYS 78 HE3 LYS 78 2.694 3.962 14.478 661 HZ1 LYS 78 HZ1 LYS 78 2.460 1.199 15.439 662 HZ2 LYS 78 HZ2 LYS 78 2.742 2.519 16.389 663 HZ3 LYS 78 HZ3 LYS 78 3.858 2.059 15.262 664 H VAL 79 HN VAL 79 -3.095 3.107 10.735 665 HA VAL 79 HA VAL 79 -5.954 3.639 11.357 666 HB VAL 79 HB VAL 79 -6.221 3.452 8.820 667 HG11 VAL 79 HG11 VAL 79 -4.742 5.906 9.861 668 HG12 VAL 79 HG12 VAL 79 -5.755 5.838 8.423 669 HG13 VAL 79 HG13 VAL 79 -6.471 5.600 10.010 670 HG21 VAL 79 HG21 VAL 79 -4.360 4.045 7.342 671 HG22 VAL 79 HG22 VAL 79 -3.236 4.096 8.684 672 HG23 VAL 79 HG23 VAL 79 -3.941 2.567 8.183 673 H LYS 80 HN LYS 80 -7.196 1.922 11.551 674 HA LYS 80 HA LYS 80 -6.140 -0.737 11.271 675 HB2 LYS 80 HB2 LYS 80 -8.770 0.442 12.204 676 HB3 LYS 80 HB3 LYS 80 -8.622 -1.275 11.932 677 HG2 LYS 80 HG2 LYS 80 -6.808 -1.526 13.493 678 HG3 LYS 80 HG3 LYS 80 -6.649 0.195 13.719 679 HD2 LYS 80 HD2 LYS 80 -8.731 0.356 14.916 680 HD3 LYS 80 HD3 LYS 80 -9.259 -1.220 14.395 681 HE2 LYS 80 HE2 LYS 80 -8.544 -1.274 16.767 682 HE3 LYS 80 HE3 LYS 80 -7.535 -2.322 15.791 683 HZ1 LYS 80 HZ1 LYS 80 -6.818 0.384 16.670 684 HZ2 LYS 80 HZ2 LYS 80 -5.865 -0.581 15.751 685 HZ3 LYS 80 HZ3 LYS 80 -6.239 -1.027 17.287 686 H THR 81 HN THR 81 -6.691 -2.335 9.870 687 HA THR 81 HA THR 81 -8.342 -1.962 7.519 688 HB THR 81 HB THR 81 -6.390 -0.493 7.006 689 HG1 THR 81 HG1 THR 81 -5.716 -1.570 5.086 690 HG21 THR 81 HG21 THR 81 -4.111 -1.381 6.665 691 HG22 THR 81 HG22 THR 81 -4.591 -2.966 7.241 692 HG23 THR 81 HG23 THR 81 -4.575 -1.592 8.343 693 H VAL 82 HN VAL 82 -7.936 -3.824 5.959 694 HA VAL 82 HA VAL 82 -6.621 -6.209 7.108 695 HB VAL 82 HB VAL 82 -9.333 -6.533 5.738 696 HG11 VAL 82 HG11 VAL 82 -9.340 -8.717 6.879 697 HG12 VAL 82 HG12 VAL 82 -7.828 -8.545 6.003 698 HG13 VAL 82 HG13 VAL 82 -7.867 -8.306 7.735 699 HG21 VAL 82 HG21 VAL 82 -10.004 -5.166 7.635 700 HG22 VAL 82 HG22 VAL 82 -10.455 -6.830 7.956 701 HG23 VAL 82 HG23 VAL 82 -9.033 -6.143 8.730 702 H VAL 83 HN VAL 83 -5.788 -7.547 5.457 703 HA VAL 83 HA VAL 83 -6.159 -6.653 2.621 704 HB VAL 83 HB VAL 83 -3.731 -8.082 3.815 705 HG11 VAL 83 HG11 VAL 83 -3.902 -8.543 1.429 706 HG12 VAL 83 HG12 VAL 83 -4.151 -6.839 1.062 707 HG13 VAL 83 HG13 VAL 83 -2.601 -7.407 1.674 708 HG21 VAL 83 HG21 VAL 83 -3.588 -5.928 4.830 709 HG22 VAL 83 HG22 VAL 83 -2.505 -5.873 3.450 710 HG23 VAL 83 HG23 VAL 83 -4.059 -5.094 3.364 711 H GLN 84 HN GLN 84 -6.581 -8.285 1.132 712 HA GLN 84 HA GLN 84 -6.257 -11.115 1.900 713 HB2 GLN 84 HB2 GLN 84 -8.800 -9.919 0.706 714 HB3 GLN 84 HB3 GLN 84 -8.359 -11.574 0.468 715 HG2 GLN 84 HG2 GLN 84 -9.412 -12.114 2.349 716 HG3 GLN 84 HG3 GLN 84 -8.103 -11.411 3.248 717 HE21 GLN 84 HE21 GLN 84 -8.495 -9.426 4.364 718 HE22 GLN 84 HE22 GLN 84 -10.074 -8.682 4.423 719 H LEU 85 HN LEU 85 -5.727 -12.475 0.188 720 HA LEU 85 HA LEU 85 -4.766 -11.139 -2.294 721 HB2 LEU 85 HB2 LEU 85 -3.214 -12.340 -0.595 722 HB3 LEU 85 HB3 LEU 85 -3.865 -13.840 -1.162 723 HG LEU 85 HG LEU 85 -2.551 -11.742 -2.962 724 HD11 LEU 85 HD11 LEU 85 -0.516 -12.300 -2.227 725 HD12 LEU 85 HD12 LEU 85 -0.777 -14.000 -2.561 726 HD13 LEU 85 HD13 LEU 85 -1.214 -13.341 -1.003 727 HD21 LEU 85 HD21 LEU 85 -2.128 -14.113 -4.283 728 HD22 LEU 85 HD22 LEU 85 -3.484 -13.056 -4.585 729 HD23 LEU 85 HD23 LEU 85 -3.664 -14.448 -3.512 730 H GLU 86 HN GLU 86 -5.911 -11.598 -4.110 731 HA GLU 86 HA GLU 86 -8.151 -13.468 -3.972 732 HB2 GLU 86 HB2 GLU 86 -8.923 -12.327 -5.976 733 HB3 GLU 86 HB3 GLU 86 -8.543 -11.206 -4.710 734 HG2 GLU 86 HG2 GLU 86 -6.355 -10.681 -5.814 735 HG3 GLU 86 HG3 GLU 86 -6.727 -11.795 -7.113 736 H GLY 87 HN GLY 87 -5.152 -14.282 -4.468 737 HA2 GLY 87 HA2 GLY 87 -4.321 -16.287 -5.169 738 HA3 GLY 87 HA1 GLY 87 -5.815 -16.649 -6.004 739 H ASP 88 HN ASP 88 -5.168 -13.708 -7.298 740 HA ASP 88 HA ASP 88 -3.716 -14.864 -9.631 741 HB2 ASP 88 HB2 ASP 88 -5.841 -12.697 -9.658 742 HB3 ASP 88 HB3 ASP 88 -5.119 -13.490 -11.055 743 H ASN 89 HN ASN 89 -2.007 -13.913 -7.822 744 HA ASN 89 HA ASN 89 -0.553 -12.469 -7.201 745 HB2 ASN 89 HB2 ASN 89 0.883 -11.400 -9.136 746 HB3 ASN 89 HB3 ASN 89 0.769 -13.099 -8.908 747 HD21 ASN 89 HD21 ASN 89 -0.699 -10.523 -10.931 748 HD22 ASN 89 HD22 ASN 89 -0.964 -11.567 -12.306 749 H LYS 90 HN LYS 90 -2.853 -11.366 -6.608 750 HA LYS 90 HA LYS 90 -2.494 -8.450 -6.821 751 HB2 LYS 90 HB2 LYS 90 -4.967 -10.084 -7.503 752 HB3 LYS 90 HB3 LYS 90 -5.078 -8.387 -7.111 753 HG2 LYS 90 HG2 LYS 90 -3.884 -7.745 -9.107 754 HG3 LYS 90 HG3 LYS 90 -3.382 -9.369 -9.439 755 HD2 LYS 90 HD2 LYS 90 -5.160 -9.132 -10.931 756 HD3 LYS 90 HD3 LYS 90 -5.878 -10.003 -9.620 757 HE2 LYS 90 HE2 LYS 90 -7.522 -8.408 -9.986 758 HE3 LYS 90 HE3 LYS 90 -6.624 -7.596 -8.720 759 HZ1 LYS 90 HZ1 LYS 90 -6.267 -7.197 -11.607 760 HZ2 LYS 90 HZ2 LYS 90 -5.468 -6.376 -10.441 761 HZ3 LYS 90 HZ3 LYS 90 -7.109 -6.192 -10.602 762 H LEU 91 HN LEU 91 -3.095 -7.401 -4.981 763 HA LEU 91 HA LEU 91 -4.352 -8.907 -2.723 764 HB2 LEU 91 HB2 LEU 91 -2.333 -6.637 -2.727 765 HB3 LEU 91 HB3 LEU 91 -3.155 -7.134 -1.296 766 HG LEU 91 HG LEU 91 -1.474 -9.103 -2.858 767 HD11 LEU 91 HD11 LEU 91 0.512 -8.518 -1.704 768 HD12 LEU 91 HD12 LEU 91 -0.323 -7.424 -0.602 769 HD13 LEU 91 HD13 LEU 91 -0.125 -6.995 -2.297 770 HD21 LEU 91 HD21 LEU 91 -1.777 -10.531 -1.112 771 HD22 LEU 91 HD22 LEU 91 -3.119 -9.505 -0.641 772 HD23 LEU 91 HD23 LEU 91 -1.541 -9.301 0.104 773 H VAL 92 HN VAL 92 -6.013 -7.789 -1.663 774 HA VAL 92 HA VAL 92 -6.804 -5.089 -2.668 775 HB VAL 92 HB VAL 92 -8.688 -7.405 -2.004 776 HG11 VAL 92 HG11 VAL 92 -10.506 -5.868 -2.806 777 HG12 VAL 92 HG12 VAL 92 -9.754 -5.286 -1.339 778 HG13 VAL 92 HG13 VAL 92 -9.339 -4.554 -2.887 779 HG21 VAL 92 HG21 VAL 92 -9.383 -7.286 -4.408 780 HG22 VAL 92 HG22 VAL 92 -8.059 -6.164 -4.719 781 HG23 VAL 92 HG23 VAL 92 -7.727 -7.815 -4.205 782 H THR 93 HN THR 93 -7.159 -3.669 -1.042 783 HA THR 93 HA THR 93 -7.715 -4.580 1.679 784 HB THR 93 HB THR 93 -5.279 -4.658 1.609 785 HG1 THR 93 HG1 THR 93 -6.219 -3.803 3.490 786 HG21 THR 93 HG21 THR 93 -3.810 -2.786 1.175 787 HG22 THR 93 HG22 THR 93 -5.153 -1.690 0.939 788 HG23 THR 93 HG23 THR 93 -4.823 -2.961 -0.249 789 H THR 94 HN THR 94 -8.660 -3.076 2.997 790 HA THR 94 HA THR 94 -9.307 -0.395 1.920 791 HB THR 94 HB THR 94 -11.700 -0.826 2.812 792 HG1 THR 94 HG1 THR 94 -11.234 -2.771 3.867 793 HG21 THR 94 HG21 THR 94 -11.407 -0.657 0.400 794 HG22 THR 94 HG22 THR 94 -12.513 -1.970 0.744 795 HG23 THR 94 HG23 THR 94 -10.852 -2.331 0.288 796 H PHE 95 HN PHE 95 -9.054 1.069 3.401 797 HA PHE 95 HA PHE 95 -8.457 0.435 6.200 798 HB2 PHE 95 HB2 PHE 95 -8.283 2.997 4.528 799 HB3 PHE 95 HB3 PHE 95 -7.776 2.870 6.193 800 HD1 PHE 95 HD1 PHE 95 -5.650 1.828 6.781 801 HD2 PHE 95 HD2 PHE 95 -7.059 1.685 2.712 802 HE1 PHE 95 HE1 PHE 95 -3.450 1.022 6.021 803 HE2 PHE 95 HE2 PHE 95 -4.866 0.852 1.991 804 HZ PHE 95 HZ PHE 95 -3.059 0.529 3.638 805 H LYS 96 HN LYS 96 -9.959 3.502 5.446 806 HA LYS 96 HA LYS 96 -12.568 2.678 6.649 807 HB2 LYS 96 HB2 LYS 96 -11.148 5.384 6.537 808 HB3 LYS 96 HB3 LYS 96 -12.849 5.213 6.862 809 HG2 LYS 96 HG2 LYS 96 -12.371 3.747 8.825 810 HG3 LYS 96 HG3 LYS 96 -10.660 4.014 8.591 811 HD2 LYS 96 HD2 LYS 96 -10.941 6.444 8.935 812 HD3 LYS 96 HD3 LYS 96 -12.677 6.278 9.006 813 HE2 LYS 96 HE2 LYS 96 -12.460 4.887 11.093 814 HE3 LYS 96 HE3 LYS 96 -10.715 5.077 11.028 815 HZ1 LYS 96 HZ1 LYS 96 -11.717 6.654 12.487 816 HZ2 LYS 96 HZ2 LYS 96 -12.659 7.262 11.279 817 HZ3 LYS 96 HZ3 LYS 96 -11.021 7.441 11.217 818 H ASN 97 HN ASN 97 -11.081 4.818 4.160 819 HA ASN 97 HA ASN 97 -13.333 4.342 2.296 820 HB2 ASN 97 HB2 ASN 97 -13.757 6.703 2.056 821 HB3 ASN 97 HB3 ASN 97 -13.935 6.291 3.735 822 HD21 ASN 97 HD21 ASN 97 -13.434 8.928 2.471 823 HD22 ASN 97 HD22 ASN 97 -11.986 9.540 3.224 824 H ILE 98 HN ILE 98 -10.274 3.772 2.504 825 HA ILE 98 HA ILE 98 -9.511 4.869 -0.175 826 HB ILE 98 HB ILE 98 -7.736 3.902 2.110 827 HG12 ILE 98 HG12 ILE 98 -8.053 6.739 1.087 828 HG13 ILE 98 HG13 ILE 98 -8.822 6.156 2.530 829 HG21 ILE 98 HG21 ILE 98 -6.938 5.110 -0.589 830 HG22 ILE 98 HG22 ILE 98 -5.827 4.708 0.711 831 HG23 ILE 98 HG23 ILE 98 -6.681 3.434 -0.116 832 HD11 ILE 98 HD11 ILE 98 -5.908 6.740 2.081 833 HD12 ILE 98 HD12 ILE 98 -6.934 7.126 3.456 834 HD13 ILE 98 HD13 ILE 98 -6.323 5.487 3.251 835 H LYS 99 HN LYS 99 -10.331 3.266 -1.505 836 HA LYS 99 HA LYS 99 -9.977 0.413 -0.840 837 HB2 LYS 99 HB2 LYS 99 -12.132 1.302 -1.726 838 HB3 LYS 99 HB3 LYS 99 -11.336 1.786 -3.197 839 HG2 LYS 99 HG2 LYS 99 -10.672 -0.722 -3.488 840 HG3 LYS 99 HG3 LYS 99 -11.733 -1.061 -2.155 841 HD2 LYS 99 HD2 LYS 99 -12.511 0.200 -4.823 842 HD3 LYS 99 HD3 LYS 99 -12.808 -1.447 -4.345 843 HE2 LYS 99 HE2 LYS 99 -14.330 -0.625 -2.498 844 HE3 LYS 99 HE3 LYS 99 -14.073 1.026 -3.040 845 HZ1 LYS 99 HZ1 LYS 99 -14.980 0.423 -5.160 846 HZ2 LYS 99 HZ2 LYS 99 -16.052 0.111 -3.948 847 HZ3 LYS 99 HZ3 LYS 99 -15.228 -1.126 -4.657 848 H SER 100 HN SER 100 -7.997 -0.340 -1.126 849 HA SER 100 HA SER 100 -6.312 0.610 -3.391 850 HB2 SER 100 HB2 SER 100 -5.487 1.302 -1.231 851 HB3 SER 100 HB3 SER 100 -5.732 -0.274 -0.544 852 HG SER 100 HG SER 100 -4.091 -1.080 -1.871 853 H VAL 101 HN VAL 101 -6.135 -0.741 -5.003 854 HA VAL 101 HA VAL 101 -5.878 -3.671 -4.475 855 HB VAL 101 HB VAL 101 -6.268 -2.159 -7.101 856 HG11 VAL 101 HG11 VAL 101 -5.993 -5.169 -6.628 857 HG12 VAL 101 HG12 VAL 101 -6.527 -4.440 -8.136 858 HG13 VAL 101 HG13 VAL 101 -4.898 -4.159 -7.568 859 HG21 VAL 101 HG21 VAL 101 -8.214 -3.958 -5.593 860 HG22 VAL 101 HG22 VAL 101 -8.375 -2.223 -5.841 861 HG23 VAL 101 HG23 VAL 101 -8.471 -3.313 -7.212 862 H THR 102 HN THR 102 -3.840 -4.446 -4.518 863 HA THR 102 HA THR 102 -1.641 -2.922 -5.871 864 HB THR 102 HB THR 102 -1.406 -5.039 -3.677 865 HG1 THR 102 HG1 THR 102 -2.229 -3.108 -2.889 866 HG21 THR 102 HG21 THR 102 0.642 -5.035 -5.059 867 HG22 THR 102 HG22 THR 102 0.975 -4.279 -3.514 868 HG23 THR 102 HG23 THR 102 0.744 -3.280 -4.945 869 H GLU 103 HN GLU 103 -0.403 -4.155 -7.364 870 HA GLU 103 HA GLU 103 -1.195 -6.943 -7.901 871 HB2 GLU 103 HB2 GLU 103 -2.799 -5.722 -9.173 872 HB3 GLU 103 HB3 GLU 103 -1.637 -4.599 -9.774 873 HG2 GLU 103 HG2 GLU 103 -0.587 -6.393 -11.179 874 HG3 GLU 103 HG3 GLU 103 -1.683 -7.581 -10.501 875 H LEU 104 HN LEU 104 0.225 -8.148 -9.029 876 HA LEU 104 HA LEU 104 3.032 -7.161 -9.249 877 HB2 LEU 104 HB2 LEU 104 2.810 -8.502 -7.245 878 HB3 LEU 104 HB3 LEU 104 1.731 -9.607 -8.012 879 HG LEU 104 HG LEU 104 3.662 -10.441 -9.464 880 HD11 LEU 104 HD11 LEU 104 5.272 -8.740 -7.508 881 HD12 LEU 104 HD12 LEU 104 5.297 -8.657 -9.272 882 HD13 LEU 104 HD13 LEU 104 5.959 -10.058 -8.436 883 HD21 LEU 104 HD21 LEU 104 4.476 -11.925 -7.733 884 HD22 LEU 104 HD22 LEU 104 2.749 -11.677 -7.526 885 HD23 LEU 104 HD23 LEU 104 3.882 -10.849 -6.471 886 H ASN 105 HN ASN 105 3.763 -7.301 -11.292 887 HA ASN 105 HA ASN 105 2.723 -9.385 -13.144 888 HB2 ASN 105 HB2 ASN 105 3.139 -6.377 -13.652 889 HB3 ASN 105 HB3 ASN 105 3.114 -7.546 -14.941 890 HD21 ASN 105 HD21 ASN 105 0.773 -8.590 -12.637 891 HD22 ASN 105 HD22 ASN 105 -0.598 -7.881 -13.456 892 H GLY 106 HN GLY 106 4.620 -10.550 -12.310 893 HA2 GLY 106 HA2 GLY 106 6.719 -11.393 -12.657 894 HA3 GLY 106 HA1 GLY 106 6.976 -10.228 -13.946 895 H ASP 107 HN ASP 107 8.548 -8.740 -13.524 896 HA ASP 107 HA ASP 107 9.382 -8.091 -10.772 897 HB2 ASP 107 HB2 ASP 107 10.618 -7.594 -13.489 898 HB3 ASP 107 HB3 ASP 107 11.210 -6.768 -12.067 899 H ILE 108 HN ILE 108 7.120 -6.810 -12.967 900 HA ILE 108 HA ILE 108 7.477 -4.035 -12.007 901 HB ILE 108 HB ILE 108 5.537 -5.285 -13.999 902 HG12 ILE 108 HG12 ILE 108 6.688 -3.624 -15.570 903 HG13 ILE 108 HG13 ILE 108 7.874 -3.356 -14.333 904 HG21 ILE 108 HG21 ILE 108 4.754 -2.961 -14.504 905 HG22 ILE 108 HG22 ILE 108 4.275 -3.473 -12.912 906 HG23 ILE 108 HG23 ILE 108 5.638 -2.368 -13.104 907 HD11 ILE 108 HD11 ILE 108 8.901 -5.443 -14.735 908 HD12 ILE 108 HD12 ILE 108 7.395 -6.225 -15.219 909 HD13 ILE 108 HD13 ILE 108 8.222 -5.141 -16.326 910 H ILE 109 HN ILE 109 6.126 -3.078 -10.564 911 HA ILE 109 HA ILE 109 3.892 -4.638 -9.347 912 HB ILE 109 HB ILE 109 5.842 -2.646 -8.151 913 HG12 ILE 109 HG12 ILE 109 6.640 -4.881 -8.122 914 HG13 ILE 109 HG13 ILE 109 6.346 -4.334 -6.498 915 HG21 ILE 109 HG21 ILE 109 3.222 -3.494 -6.831 916 HG22 ILE 109 HG22 ILE 109 4.571 -2.753 -5.977 917 HG23 ILE 109 HG23 ILE 109 3.735 -1.856 -7.219 918 HD11 ILE 109 HD11 ILE 109 3.985 -5.654 -6.869 919 HD12 ILE 109 HD12 ILE 109 4.944 -6.472 -8.095 920 HD13 ILE 109 HD13 ILE 109 5.454 -6.505 -6.413 921 H THR 110 HN THR 110 1.999 -3.591 -9.085 922 HA THR 110 HA THR 110 1.606 -0.868 -10.243 923 HB THR 110 HB THR 110 0.042 -3.478 -10.607 924 HG1 THR 110 HG1 THR 110 1.683 -3.134 -12.032 925 HG21 THR 110 HG21 THR 110 -1.743 -1.780 -10.288 926 HG22 THR 110 HG22 THR 110 -1.624 -2.193 -11.984 927 HG23 THR 110 HG23 THR 110 -0.928 -0.680 -11.404 928 H ASN 111 HN ASN 111 0.045 0.369 -9.147 929 HA ASN 111 HA ASN 111 -1.537 -0.821 -6.972 930 HB2 ASN 111 HB2 ASN 111 0.819 0.403 -6.204 931 HB3 ASN 111 HB3 ASN 111 -0.194 1.817 -6.319 932 HD21 ASN 111 HD21 ASN 111 0.781 -0.834 -4.382 933 HD22 ASN 111 HD22 ASN 111 -0.452 -0.735 -3.156 934 H THR 112 HN THR 112 -3.415 0.169 -6.584 935 HA THR 112 HA THR 112 -4.176 2.617 -8.034 936 HB THR 112 HB THR 112 -5.706 -0.039 -8.294 937 HG1 THR 112 HG1 THR 112 -3.883 0.075 -9.599 938 HG21 THR 112 HG21 THR 112 -6.297 2.694 -9.553 939 HG22 THR 112 HG22 THR 112 -7.286 1.933 -8.312 940 HG23 THR 112 HG23 THR 112 -7.166 1.202 -9.900 941 H MET 113 HN MET 113 -4.153 3.540 -5.954 942 HA MET 113 HA MET 113 -6.122 2.632 -3.941 943 HB2 MET 113 HB2 MET 113 -4.237 5.015 -3.974 944 HB3 MET 113 HB3 MET 113 -5.317 4.598 -2.672 945 HG2 MET 113 HG2 MET 113 -3.875 2.212 -3.094 946 HG3 MET 113 HG3 MET 113 -2.680 3.440 -3.385 947 HE1 MET 113 HE1 MET 113 -2.609 5.375 0.047 948 HE2 MET 113 HE2 MET 113 -1.823 5.178 -1.527 949 HE3 MET 113 HE3 MET 113 -3.483 5.787 -1.436 950 H THR 114 HN THR 114 -8.065 3.589 -3.611 951 HA THR 114 HA THR 114 -8.904 5.821 -5.410 952 HB THR 114 HB THR 114 -10.445 3.272 -4.702 953 HG1 THR 114 HG1 THR 114 -8.891 2.983 -6.275 954 HG21 THR 114 HG21 THR 114 -12.067 5.159 -4.910 955 HG22 THR 114 HG22 THR 114 -12.171 4.114 -6.314 956 HG23 THR 114 HG23 THR 114 -11.318 5.651 -6.425 957 H LEU 115 HN LEU 115 -9.036 7.472 -4.011 958 HA LEU 115 HA LEU 115 -10.489 7.139 -1.425 959 HB2 LEU 115 HB2 LEU 115 -8.127 7.551 -1.016 960 HB3 LEU 115 HB3 LEU 115 -8.075 8.821 -2.201 961 HG LEU 115 HG LEU 115 -9.509 10.269 -0.817 962 HD11 LEU 115 HD11 LEU 115 -9.426 9.058 1.772 963 HD12 LEU 115 HD12 LEU 115 -10.129 7.866 0.703 964 HD13 LEU 115 HD13 LEU 115 -10.835 9.468 0.809 965 HD21 LEU 115 HD21 LEU 115 -7.889 10.904 0.792 966 HD22 LEU 115 HD22 LEU 115 -7.027 10.328 -0.621 967 HD23 LEU 115 HD23 LEU 115 -7.149 9.301 0.810 968 H GLY 116 HN GLY 116 -12.406 8.097 -1.504 969 HA2 GLY 116 HA2 GLY 116 -14.070 9.611 -1.885 970 HA3 GLY 116 HA1 GLY 116 -12.859 10.806 -2.325 971 H ASP 117 HN ASP 117 -12.595 11.299 -4.457 972 HA ASP 117 HA ASP 117 -13.806 9.627 -6.590 973 HB2 ASP 117 HB2 ASP 117 -14.104 11.969 -7.782 974 HB3 ASP 117 HB3 ASP 117 -15.260 11.378 -6.626 975 H ILE 118 HN ILE 118 -10.898 10.438 -5.321 976 HA ILE 118 HA ILE 118 -9.462 10.941 -7.869 977 HB ILE 118 HB ILE 118 -8.530 10.905 -4.953 978 HG12 ILE 118 HG12 ILE 118 -8.968 13.350 -6.708 979 HG13 ILE 118 HG13 ILE 118 -10.135 12.805 -5.546 980 HG21 ILE 118 HG21 ILE 118 -6.580 10.439 -6.402 981 HG22 ILE 118 HG22 ILE 118 -7.002 11.800 -7.442 982 HG23 ILE 118 HG23 ILE 118 -6.454 12.065 -5.796 983 HD11 ILE 118 HD11 ILE 118 -9.110 14.160 -4.060 984 HD12 ILE 118 HD12 ILE 118 -7.834 12.956 -3.956 985 HD13 ILE 118 HD13 ILE 118 -7.674 14.320 -5.059 986 H VAL 119 HN VAL 119 -7.950 9.441 -8.675 987 HA VAL 119 HA VAL 119 -7.728 6.809 -7.274 988 HB VAL 119 HB VAL 119 -7.865 7.314 -10.273 989 HG11 VAL 119 HG11 VAL 119 -6.339 5.399 -9.851 990 HG12 VAL 119 HG12 VAL 119 -7.507 4.691 -8.742 991 HG13 VAL 119 HG13 VAL 119 -7.865 4.804 -10.462 992 HG21 VAL 119 HG21 VAL 119 -9.967 5.981 -10.183 993 HG22 VAL 119 HG22 VAL 119 -9.867 5.941 -8.426 994 HG23 VAL 119 HG23 VAL 119 -10.112 7.467 -9.267 995 H PHE 120 HN PHE 120 -5.809 7.300 -6.226 996 HA PHE 120 HA PHE 120 -3.484 8.322 -7.592 997 HB2 PHE 120 HB2 PHE 120 -3.735 8.834 -5.297 998 HB3 PHE 120 HB3 PHE 120 -3.942 7.173 -4.838 999 HD1 PHE 120 HD1 PHE 120 -2.169 6.831 -3.294 1000 HD2 PHE 120 HD2 PHE 120 -1.288 8.778 -7.044 1001 HE1 PHE 120 HE1 PHE 120 0.239 6.785 -2.779 1002 HE2 PHE 120 HE2 PHE 120 1.101 8.677 -6.515 1003 HZ PHE 120 HZ PHE 120 1.871 7.697 -4.391 1004 H LYS 121 HN LYS 121 -2.416 7.228 -9.048 1005 HA LYS 121 HA LYS 121 -2.129 4.288 -8.948 1006 HB2 LYS 121 HB2 LYS 121 -1.431 6.428 -11.009 1007 HB3 LYS 121 HB3 LYS 121 -1.034 4.754 -11.226 1008 HG2 LYS 121 HG2 LYS 121 -3.906 5.732 -10.888 1009 HG3 LYS 121 HG3 LYS 121 -3.107 5.545 -12.422 1010 HD2 LYS 121 HD2 LYS 121 -2.691 3.092 -11.852 1011 HD3 LYS 121 HD3 LYS 121 -3.659 3.310 -10.418 1012 HE2 LYS 121 HE2 LYS 121 -5.653 3.868 -11.751 1013 HE3 LYS 121 HE3 LYS 121 -4.716 3.866 -13.235 1014 HZ1 LYS 121 HZ1 LYS 121 -5.901 1.828 -12.918 1015 HZ2 LYS 121 HZ2 LYS 121 -5.090 1.528 -11.508 1016 HZ3 LYS 121 HZ3 LYS 121 -4.273 1.563 -12.938 1017 H ARG 122 HN ARG 122 -0.167 3.302 -8.779 1018 HA ARG 122 HA ARG 122 2.317 4.859 -8.968 1019 HB2 ARG 122 HB2 ARG 122 1.691 2.867 -6.732 1020 HB3 ARG 122 HB3 ARG 122 3.311 3.231 -7.231 1021 HG2 ARG 122 HG2 ARG 122 3.052 5.581 -6.676 1022 HG3 ARG 122 HG3 ARG 122 1.408 5.369 -6.139 1023 HD2 ARG 122 HD2 ARG 122 2.723 5.259 -4.085 1024 HD3 ARG 122 HD3 ARG 122 2.337 3.615 -4.513 1025 HE ARG 122 HE ARG 122 4.866 4.424 -5.629 1026 HH11 ARG 122 HH11 ARG 122 3.312 3.039 -2.731 1027 HH12 ARG 122 HH12 ARG 122 4.740 2.153 -2.257 1028 HH21 ARG 122 HH21 ARG 122 6.676 3.130 -5.024 1029 HH22 ARG 122 HH22 ARG 122 6.630 2.232 -3.530 1030 H ILE 123 HN ILE 123 3.922 3.719 -9.980 1031 HA ILE 123 HA ILE 123 3.545 0.860 -10.616 1032 HB ILE 123 HB ILE 123 4.570 2.960 -12.593 1033 HG12 ILE 123 HG12 ILE 123 2.631 1.936 -14.040 1034 HG13 ILE 123 HG13 ILE 123 1.956 1.404 -12.536 1035 HG21 ILE 123 HG21 ILE 123 5.831 0.843 -12.853 1036 HG22 ILE 123 HG22 ILE 123 4.324 -0.061 -12.941 1037 HG23 ILE 123 HG23 ILE 123 4.764 1.075 -14.211 1038 HD11 ILE 123 HD11 ILE 123 2.622 4.284 -12.380 1039 HD12 ILE 123 HD12 ILE 123 1.659 3.948 -13.808 1040 HD13 ILE 123 HD13 ILE 123 1.054 3.505 -12.219 1041 H SER 124 HN SER 124 5.367 -0.238 -10.095 1042 HA SER 124 HA SER 124 7.941 1.187 -9.688 1043 HB2 SER 124 HB2 SER 124 6.481 -0.650 -7.698 1044 HB3 SER 124 HB3 SER 124 8.189 -0.287 -7.579 1045 HG SER 124 HG SER 124 6.056 1.551 -7.501 1046 H LYS 125 HN LYS 125 9.796 -0.415 -9.560 1047 HA LYS 125 HA LYS 125 9.320 -2.975 -10.923 1048 HB2 LYS 125 HB2 LYS 125 9.536 -1.255 -12.732 1049 HB3 LYS 125 HB3 LYS 125 11.106 -0.803 -12.115 1050 HG2 LYS 125 HG2 LYS 125 11.925 -3.141 -12.623 1051 HG3 LYS 125 HG3 LYS 125 10.330 -3.551 -13.205 1052 HD2 LYS 125 HD2 LYS 125 10.589 -1.624 -14.905 1053 HD3 LYS 125 HD3 LYS 125 12.244 -1.481 -14.387 1054 HE2 LYS 125 HE2 LYS 125 10.975 -3.968 -15.651 1055 HE3 LYS 125 HE3 LYS 125 12.065 -2.851 -16.450 1056 HZ1 LYS 125 HZ1 LYS 125 13.197 -4.792 -15.700 1057 HZ2 LYS 125 HZ2 LYS 125 12.743 -4.528 -14.138 1058 HZ3 LYS 125 HZ3 LYS 125 13.767 -3.476 -14.888 1059 H ARG 126 HN ARG 126 10.837 -4.485 -10.570 1060 HA ARG 126 HA ARG 126 12.123 -4.592 -8.183 1061 HB2 ARG 126 HB2 ARG 126 11.372 -6.445 -9.800 1062 HB3 ARG 126 HB3 ARG 126 12.850 -6.158 -10.675 1063 HG2 ARG 126 HG2 ARG 126 13.506 -7.888 -9.483 1064 HG3 ARG 126 HG3 ARG 126 14.040 -6.754 -8.306 1065 HD2 ARG 126 HD2 ARG 126 12.790 -8.355 -6.996 1066 HD3 ARG 126 HD3 ARG 126 11.517 -7.214 -7.370 1067 HE ARG 126 HE ARG 126 11.512 -8.906 -9.554 1068 HH11 ARG 126 HH11 ARG 126 10.874 -9.301 -6.076 1069 HH12 ARG 126 HH12 ARG 126 9.730 -10.586 -6.323 1070 HH21 ARG 126 HH21 ARG 126 9.969 -10.453 -9.862 1071 HH22 ARG 126 HH22 ARG 126 9.148 -11.210 -8.514 1072 H ILE 127 HN ILE 127 14.196 -4.360 -7.362 1073 HA ILE 127 HA ILE 127 16.231 -2.992 -9.064 1074 HB ILE 127 HB ILE 127 16.331 -3.205 -6.040 1075 HG12 ILE 127 HG12 ILE 127 15.030 -0.911 -7.526 1076 HG13 ILE 127 HG13 ILE 127 14.159 -2.110 -6.626 1077 HG21 ILE 127 HG21 ILE 127 17.835 -1.215 -6.266 1078 HG22 ILE 127 HG22 ILE 127 18.433 -2.539 -7.235 1079 HG23 ILE 127 HG23 ILE 127 17.576 -1.208 -8.003 1080 HD11 ILE 127 HD11 ILE 127 14.387 -0.912 -4.752 1081 HD12 ILE 127 HD12 ILE 127 16.132 -1.081 -4.805 1082 HD13 ILE 127 HD13 ILE 127 15.369 0.286 -5.588 Start of MODEL 10 1 H1 HIS -7 HN HIS -7 21.919 -19.638 -16.151 2 HA HIS -7 HA HIS -7 21.052 -19.713 -13.423 3 HB2 HIS -7 HB2 HIS -7 23.896 -20.478 -14.523 4 HB3 HIS -7 HB3 HIS -7 23.619 -20.061 -12.850 5 HD1 HIS -7 HD1 HIS -7 24.863 -22.763 -13.595 6 HD2 HIS -7 HD2 HIS -7 20.758 -22.229 -12.767 7 HE1 HIS -7 HE1 HIS -7 23.901 -24.977 -12.840 8 H HIS -6 HN HIS -6 20.240 -17.860 -15.008 9 HA HIS -6 HA HIS -6 21.933 -15.543 -14.199 10 HB2 HIS -6 HB2 HIS -6 20.324 -15.843 -16.784 11 HB3 HIS -6 HB3 HIS -6 21.123 -14.386 -16.247 12 HD1 HIS -6 HD1 HIS -6 23.936 -15.170 -15.579 13 HD2 HIS -6 HD2 HIS -6 21.893 -16.994 -18.788 14 HE1 HIS -6 HE1 HIS -6 25.647 -16.157 -17.156 15 H HIS -5 HN HIS -5 20.805 -15.612 -12.268 16 HA HIS -5 HA HIS -5 19.334 -15.119 -10.746 17 HB2 HIS -5 HB2 HIS -5 18.095 -13.403 -12.924 18 HB3 HIS -5 HB3 HIS -5 17.303 -13.585 -11.390 19 HD1 HIS -5 HD1 HIS -5 20.592 -12.280 -12.810 20 HD2 HIS -5 HD2 HIS -5 18.316 -12.048 -9.266 21 HE1 HIS -5 HE1 HIS -5 21.636 -10.536 -11.302 22 H HIS -4 HN HIS -4 16.832 -15.445 -13.329 23 HA HIS -4 HA HIS -4 15.866 -17.938 -12.144 24 HB2 HIS -4 HB2 HIS -4 15.006 -15.958 -10.714 25 HB3 HIS -4 HB3 HIS -4 14.136 -15.403 -12.116 26 HD1 HIS -4 HD1 HIS -4 14.433 -18.786 -10.268 27 HD2 HIS -4 HD2 HIS -4 11.466 -16.223 -11.834 28 HE1 HIS -4 HE1 HIS -4 12.163 -19.807 -9.800 29 H HIS -3 HN HIS -3 14.052 -18.855 -13.338 30 HA HIS -3 HA HIS -3 13.356 -17.801 -15.948 31 HB2 HIS -3 HB2 HIS -3 15.666 -18.849 -16.283 32 HB3 HIS -3 HB3 HIS -3 15.012 -20.382 -15.799 33 HD1 HIS -3 HD1 HIS -3 15.289 -18.020 -18.662 34 HD2 HIS -3 HD2 HIS -3 13.146 -21.553 -17.815 35 HE1 HIS -3 HE1 HIS -3 14.384 -18.944 -20.837 36 H HIS -2 HN HIS -2 11.348 -17.848 -14.701 37 HA HIS -2 HA HIS -2 9.800 -20.168 -15.227 38 HB2 HIS -2 HB2 HIS -2 11.074 -20.073 -12.590 39 HB3 HIS -2 HB3 HIS -2 9.363 -19.931 -12.365 40 HD1 HIS -2 HD1 HIS -2 11.987 -22.380 -12.826 41 HD2 HIS -2 HD2 HIS -2 7.881 -22.250 -13.786 42 HE1 HIS -2 HE1 HIS -2 11.184 -24.747 -13.219 43 H VAL -1 HN VAL -1 7.558 -19.886 -13.960 44 HA VAL -1 HA VAL -1 6.653 -17.081 -14.432 45 HB VAL -1 HB VAL -1 4.597 -18.043 -15.377 46 HG11 VAL -1 HG11 VAL -1 6.402 -17.372 -16.900 47 HG12 VAL -1 HG12 VAL -1 7.046 -19.012 -16.885 48 HG13 VAL -1 HG13 VAL -1 5.450 -18.696 -17.555 49 HG21 VAL -1 HG21 VAL -1 4.493 -20.272 -14.290 50 HG22 VAL -1 HG22 VAL -1 4.414 -20.420 -16.034 51 HG23 VAL -1 HG23 VAL -1 5.911 -20.796 -15.194 52 H ALA 0 HN ALA 0 7.317 -18.701 -11.861 53 HA ALA 0 HA ALA 0 4.861 -18.898 -10.382 54 HB1 ALA 0 HB1 ALA 0 6.920 -20.111 -9.724 55 HB2 ALA 0 HB2 ALA 0 7.778 -18.592 -9.482 56 HB3 ALA 0 HB3 ALA 0 6.434 -19.025 -8.429 57 H MET 1 HN MET 1 3.846 -17.421 -9.057 58 HA MET 1 HA MET 1 4.608 -14.557 -9.320 59 HB2 MET 1 HB2 MET 1 2.015 -15.964 -8.557 60 HB3 MET 1 HB3 MET 1 2.258 -14.242 -8.460 61 HG2 MET 1 HG2 MET 1 2.649 -15.787 -11.072 62 HG3 MET 1 HG3 MET 1 1.137 -15.111 -10.590 63 HE1 MET 1 HE1 MET 1 4.440 -12.991 -12.792 64 HE2 MET 1 HE2 MET 1 4.935 -14.145 -11.554 65 HE3 MET 1 HE3 MET 1 3.873 -14.661 -12.870 66 H SER 2 HN SER 2 6.167 -14.214 -7.909 67 HA SER 2 HA SER 2 5.831 -14.985 -5.041 68 HB2 SER 2 HB2 SER 2 8.296 -14.695 -6.852 69 HB3 SER 2 HB3 SER 2 8.378 -14.884 -5.109 70 HG SER 2 HG SER 2 8.539 -16.866 -6.226 71 H PHE 3 HN PHE 3 5.374 -13.297 -3.790 72 HA PHE 3 HA PHE 3 5.640 -10.562 -4.578 73 HB2 PHE 3 HB2 PHE 3 4.819 -12.038 -2.061 74 HB3 PHE 3 HB3 PHE 3 5.046 -10.326 -1.997 75 HD1 PHE 3 HD1 PHE 3 3.716 -8.776 -3.514 76 HD2 PHE 3 HD2 PHE 3 2.829 -12.984 -3.146 77 HE1 PHE 3 HE1 PHE 3 1.472 -8.405 -4.462 78 HE2 PHE 3 HE2 PHE 3 0.600 -12.575 -4.109 79 HZ PHE 3 HZ PHE 3 -0.082 -10.292 -4.741 80 H SER 4 HN SER 4 7.880 -12.690 -2.949 81 HA SER 4 HA SER 4 9.381 -10.866 -1.459 82 HB2 SER 4 HB2 SER 4 11.047 -12.691 -1.416 83 HB3 SER 4 HB3 SER 4 9.429 -13.281 -1.116 84 HG SER 4 HG SER 4 10.808 -13.386 -3.596 85 H GLY 5 HN GLY 5 10.529 -9.134 -2.082 86 HA2 GLY 5 HA2 GLY 5 12.779 -9.129 -3.662 87 HA3 GLY 5 HA1 GLY 5 11.485 -8.740 -4.802 88 H LYS 6 HN LYS 6 13.365 -6.871 -4.459 89 HA LYS 6 HA LYS 6 12.054 -4.698 -2.886 90 HB2 LYS 6 HB2 LYS 6 14.582 -5.485 -2.441 91 HB3 LYS 6 HB3 LYS 6 14.919 -4.606 -3.898 92 HG2 LYS 6 HG2 LYS 6 13.282 -2.867 -2.292 93 HG3 LYS 6 HG3 LYS 6 14.293 -3.694 -1.153 94 HD2 LYS 6 HD2 LYS 6 15.202 -1.992 -3.484 95 HD3 LYS 6 HD3 LYS 6 15.234 -1.561 -1.801 96 HE2 LYS 6 HE2 LYS 6 16.908 -3.374 -1.341 97 HE3 LYS 6 HE3 LYS 6 16.943 -3.772 -3.052 98 HZ1 LYS 6 HZ1 LYS 6 17.674 -1.539 -3.501 99 HZ2 LYS 6 HZ2 LYS 6 18.699 -2.302 -2.459 100 HZ3 LYS 6 HZ3 LYS 6 17.644 -1.170 -1.893 101 H TYR 7 HN TYR 7 11.501 -2.844 -4.019 102 HA TYR 7 HA TYR 7 11.696 -2.924 -6.985 103 HB2 TYR 7 HB2 TYR 7 9.172 -2.330 -5.355 104 HB3 TYR 7 HB3 TYR 7 9.292 -2.424 -7.087 105 HD1 TYR 7 HD1 TYR 7 9.115 -4.583 -8.222 106 HD2 TYR 7 HD2 TYR 7 9.265 -4.367 -3.916 107 HE1 TYR 7 HE1 TYR 7 8.476 -6.971 -8.082 108 HE2 TYR 7 HE2 TYR 7 8.621 -6.751 -3.786 109 HH TYR 7 HH TYR 7 8.061 -8.661 -4.942 110 H GLN 8 HN GLN 8 12.330 -1.008 -7.830 111 HA GLN 8 HA GLN 8 12.380 1.455 -6.232 112 HB2 GLN 8 HB2 GLN 8 13.593 2.359 -8.090 113 HB3 GLN 8 HB3 GLN 8 14.234 0.796 -7.743 114 HG2 GLN 8 HG2 GLN 8 12.270 0.282 -9.763 115 HG3 GLN 8 HG3 GLN 8 12.927 1.827 -10.202 116 HE21 GLN 8 HE21 GLN 8 13.231 -1.440 -10.696 117 HE22 GLN 8 HE22 GLN 8 14.905 -1.509 -11.183 118 H LEU 9 HN LEU 9 11.191 3.381 -6.817 119 HA LEU 9 HA LEU 9 8.563 3.012 -7.980 120 HB2 LEU 9 HB2 LEU 9 9.368 4.604 -6.099 121 HB3 LEU 9 HB3 LEU 9 9.979 5.639 -7.344 122 HG LEU 9 HG LEU 9 7.100 4.768 -6.837 123 HD11 LEU 9 HD11 LEU 9 8.133 6.458 -5.245 124 HD12 LEU 9 HD12 LEU 9 6.691 7.018 -6.081 125 HD13 LEU 9 HD13 LEU 9 8.270 7.570 -6.607 126 HD21 LEU 9 HD21 LEU 9 6.696 6.844 -8.547 127 HD22 LEU 9 HD22 LEU 9 6.734 5.166 -9.049 128 HD23 LEU 9 HD23 LEU 9 8.154 6.189 -9.257 129 H GLN 10 HN GLN 10 8.034 3.170 -10.115 130 HA GLN 10 HA GLN 10 10.079 4.033 -12.093 131 HB2 GLN 10 HB2 GLN 10 7.447 2.503 -12.370 132 HB3 GLN 10 HB3 GLN 10 8.422 2.982 -13.716 133 HG2 GLN 10 HG2 GLN 10 9.490 1.184 -11.476 134 HG3 GLN 10 HG3 GLN 10 8.667 0.589 -12.897 135 HE21 GLN 10 HE21 GLN 10 11.648 2.071 -11.711 136 HE22 GLN 10 HE22 GLN 10 12.570 1.822 -13.170 137 H SER 11 HN SER 11 6.569 4.442 -11.401 138 HA SER 11 HA SER 11 6.555 7.238 -12.221 139 HB2 SER 11 HB2 SER 11 5.509 4.968 -13.990 140 HB3 SER 11 HB3 SER 11 4.642 6.486 -13.967 141 HG SER 11 HG SER 11 7.389 6.211 -14.541 142 H GLN 12 HN GLN 12 4.372 8.178 -12.036 143 HA GLN 12 HA GLN 12 2.327 6.760 -10.620 144 HB2 GLN 12 HB2 GLN 12 2.407 8.124 -8.547 145 HB3 GLN 12 HB3 GLN 12 3.806 7.108 -8.711 146 HG2 GLN 12 HG2 GLN 12 5.155 9.085 -9.511 147 HG3 GLN 12 HG3 GLN 12 3.742 10.104 -9.346 148 HE21 GLN 12 HE21 GLN 12 5.075 11.411 -7.929 149 HE22 GLN 12 HE22 GLN 12 5.302 10.940 -6.265 150 H GLU 13 HN GLU 13 0.401 7.970 -10.455 151 HA GLU 13 HA GLU 13 0.283 10.639 -11.736 152 HB2 GLU 13 HB2 GLU 13 -1.279 8.125 -12.542 153 HB3 GLU 13 HB3 GLU 13 -1.864 9.711 -12.912 154 HG2 GLU 13 HG2 GLU 13 0.833 8.639 -13.904 155 HG3 GLU 13 HG3 GLU 13 -0.657 8.553 -14.801 156 H ASN 14 HN ASN 14 -1.321 11.931 -10.969 157 HA ASN 14 HA ASN 14 -2.665 12.856 -9.545 158 HB2 ASN 14 HB2 ASN 14 -3.957 10.301 -10.099 159 HB3 ASN 14 HB3 ASN 14 -4.258 10.631 -8.431 160 HD21 ASN 14 HD21 ASN 14 -6.302 10.398 -10.211 161 HD22 ASN 14 HD22 ASN 14 -7.075 11.951 -10.434 162 H PHE 15 HN PHE 15 -0.124 11.562 -8.494 163 HA PHE 15 HA PHE 15 -0.351 10.958 -5.774 164 HB2 PHE 15 HB2 PHE 15 1.678 10.554 -7.066 165 HB3 PHE 15 HB3 PHE 15 1.889 12.244 -7.390 166 HD1 PHE 15 HD1 PHE 15 2.370 9.566 -4.906 167 HD2 PHE 15 HD2 PHE 15 2.639 13.823 -5.547 168 HE1 PHE 15 HE1 PHE 15 3.755 9.802 -2.890 169 HE2 PHE 15 HE2 PHE 15 3.981 14.018 -3.516 170 HZ PHE 15 HZ PHE 15 4.552 12.023 -2.184 171 H GLU 16 HN GLU 16 0.202 14.163 -7.282 172 HA GLU 16 HA GLU 16 0.374 15.775 -5.021 173 HB2 GLU 16 HB2 GLU 16 -0.469 16.153 -7.903 174 HB3 GLU 16 HB3 GLU 16 -0.722 17.471 -6.824 175 HG2 GLU 16 HG2 GLU 16 2.051 16.275 -6.690 176 HG3 GLU 16 HG3 GLU 16 1.618 16.948 -8.239 177 H ALA 17 HN ALA 17 -2.604 15.218 -6.993 178 HA ALA 17 HA ALA 17 -4.384 16.647 -5.393 179 HB1 ALA 17 HB1 ALA 17 -4.847 15.930 -7.726 180 HB2 ALA 17 HB2 ALA 17 -4.898 14.242 -7.219 181 HB3 ALA 17 HB3 ALA 17 -6.129 15.370 -6.660 182 H PHE 18 HN PHE 18 -3.522 13.171 -5.231 183 HA PHE 18 HA PHE 18 -5.385 12.446 -3.209 184 HB2 PHE 18 HB2 PHE 18 -4.441 10.866 -4.762 185 HB3 PHE 18 HB3 PHE 18 -2.814 11.170 -4.223 186 HD1 PHE 18 HD1 PHE 18 -5.974 9.412 -3.499 187 HD2 PHE 18 HD2 PHE 18 -2.038 10.314 -1.970 188 HE1 PHE 18 HE1 PHE 18 -6.194 7.641 -1.795 189 HE2 PHE 18 HE2 PHE 18 -2.324 8.574 -0.257 190 HZ PHE 18 HZ PHE 18 -4.402 7.251 -0.166 191 H MET 19 HN MET 19 -1.857 13.221 -2.984 192 HA MET 19 HA MET 19 -1.748 12.842 -0.173 193 HB2 MET 19 HB2 MET 19 0.185 14.222 -2.063 194 HB3 MET 19 HB3 MET 19 0.493 13.893 -0.376 195 HG2 MET 19 HG2 MET 19 -0.145 11.659 -2.343 196 HG3 MET 19 HG3 MET 19 1.467 12.205 -1.978 197 HE1 MET 19 HE1 MET 19 0.952 8.633 -0.251 198 HE2 MET 19 HE2 MET 19 0.214 9.216 -1.749 199 HE3 MET 19 HE3 MET 19 1.931 9.511 -1.430 200 H LYS 20 HN LYS 20 -2.337 15.819 -2.099 201 HA LYS 20 HA LYS 20 -2.320 17.615 0.116 202 HB2 LYS 20 HB2 LYS 20 -3.413 17.703 -2.713 203 HB3 LYS 20 HB3 LYS 20 -4.137 18.758 -1.557 204 HG2 LYS 20 HG2 LYS 20 -2.532 20.131 -2.454 205 HG3 LYS 20 HG3 LYS 20 -1.924 19.692 -0.895 206 HD2 LYS 20 HD2 LYS 20 0.000 19.397 -2.074 207 HD3 LYS 20 HD3 LYS 20 -0.633 17.787 -2.273 208 HE2 LYS 20 HE2 LYS 20 0.041 18.308 -4.413 209 HE3 LYS 20 HE3 LYS 20 -1.666 18.687 -4.533 210 HZ1 LYS 20 HZ1 LYS 20 0.461 20.641 -3.936 211 HZ2 LYS 20 HZ2 LYS 20 -1.114 20.983 -4.259 212 HZ3 LYS 20 HZ3 LYS 20 -0.144 20.351 -5.445 213 H ALA 21 HN ALA 21 -4.921 15.586 -1.311 214 HA ALA 21 HA ALA 21 -7.009 16.580 0.336 215 HB1 ALA 21 HB1 ALA 21 -6.787 13.998 -1.283 216 HB2 ALA 21 HB2 ALA 21 -8.271 14.619 -0.573 217 HB3 ALA 21 HB3 ALA 21 -7.453 15.537 -1.827 218 H ILE 22 HN ILE 22 -4.874 13.673 0.725 219 HA ILE 22 HA ILE 22 -6.251 12.910 3.181 220 HB ILE 22 HB ILE 22 -4.680 11.132 3.393 221 HG12 ILE 22 HG12 ILE 22 -3.291 11.605 0.792 222 HG13 ILE 22 HG13 ILE 22 -2.689 12.469 2.175 223 HG21 ILE 22 HG21 ILE 22 -5.328 9.786 1.460 224 HG22 ILE 22 HG22 ILE 22 -6.667 10.788 1.992 225 HG23 ILE 22 HG23 ILE 22 -5.757 11.228 0.553 226 HD11 ILE 22 HD11 ILE 22 -3.085 9.434 2.180 227 HD12 ILE 22 HD12 ILE 22 -1.572 10.227 1.770 228 HD13 ILE 22 HD13 ILE 22 -2.246 10.405 3.388 229 H GLY 23 HN GLY 23 -3.978 15.327 2.589 230 HA2 GLY 23 HA2 GLY 23 -3.646 16.908 4.203 231 HA3 GLY 23 HA1 GLY 23 -3.951 15.767 5.485 232 H LEU 24 HN LEU 24 -1.483 14.912 3.049 233 HA LEU 24 HA LEU 24 0.688 14.913 4.901 234 HB2 LEU 24 HB2 LEU 24 0.274 14.519 1.940 235 HB3 LEU 24 HB3 LEU 24 1.860 15.005 2.375 236 HG LEU 24 HG LEU 24 1.601 12.621 2.124 237 HD11 LEU 24 HD11 LEU 24 2.493 12.776 4.966 238 HD12 LEU 24 HD12 LEU 24 3.263 13.867 3.823 239 HD13 LEU 24 HD13 LEU 24 3.294 12.149 3.531 240 HD21 LEU 24 HD21 LEU 24 0.150 11.257 3.134 241 HD22 LEU 24 HD22 LEU 24 -0.741 12.683 3.618 242 HD23 LEU 24 HD23 LEU 24 0.399 11.935 4.725 243 HA PRO 25 HA PRO 25 1.869 19.333 4.450 244 HB2 PRO 25 HB2 PRO 25 4.504 19.193 5.264 245 HB3 PRO 25 HB3 PRO 25 3.145 19.065 6.372 246 HG2 PRO 25 HG2 PRO 25 4.692 16.792 5.105 247 HG3 PRO 25 HG3 PRO 25 4.363 17.013 6.822 248 HD2 PRO 25 HD2 PRO 25 2.804 15.399 5.333 249 HD3 PRO 25 HD3 PRO 25 2.025 16.461 6.506 250 H GLU 26 HN GLU 26 2.717 20.562 2.748 251 HA GLU 26 HA GLU 26 3.273 19.110 0.414 252 HB2 GLU 26 HB2 GLU 26 1.913 21.096 0.427 253 HB3 GLU 26 HB3 GLU 26 3.285 22.099 0.815 254 HG2 GLU 26 HG2 GLU 26 4.307 21.734 -1.351 255 HG3 GLU 26 HG3 GLU 26 3.274 20.359 -1.690 256 H GLU 27 HN GLU 27 5.570 20.051 2.741 257 HA GLU 27 HA GLU 27 7.940 20.058 1.162 258 HB2 GLU 27 HB2 GLU 27 7.944 20.754 3.478 259 HB3 GLU 27 HB3 GLU 27 7.320 19.224 4.024 260 HG2 GLU 27 HG2 GLU 27 9.483 18.097 3.346 261 HG3 GLU 27 HG3 GLU 27 10.083 19.631 2.756 262 H LEU 28 HN LEU 28 6.192 17.362 2.788 263 HA LEU 28 HA LEU 28 7.810 15.256 1.746 264 HB2 LEU 28 HB2 LEU 28 5.160 15.431 3.214 265 HB3 LEU 28 HB3 LEU 28 5.594 13.942 2.448 266 HG LEU 28 HG LEU 28 7.701 13.809 3.680 267 HD11 LEU 28 HD11 LEU 28 8.589 15.671 4.628 268 HD12 LEU 28 HD12 LEU 28 7.436 15.454 5.931 269 HD13 LEU 28 HD13 LEU 28 7.064 16.543 4.619 270 HD21 LEU 28 HD21 LEU 28 5.535 12.740 4.469 271 HD22 LEU 28 HD22 LEU 28 5.375 14.066 5.618 272 HD23 LEU 28 HD23 LEU 28 6.754 12.974 5.707 273 H ILE 29 HN ILE 29 5.069 17.029 0.414 274 HA ILE 29 HA ILE 29 4.420 15.021 -1.569 275 HB ILE 29 HB ILE 29 3.610 17.929 -1.359 276 HG12 ILE 29 HG12 ILE 29 1.901 15.486 -0.801 277 HG13 ILE 29 HG13 ILE 29 2.844 16.191 0.462 278 HG21 ILE 29 HG21 ILE 29 2.425 15.826 -3.225 279 HG22 ILE 29 HG22 ILE 29 1.783 17.439 -2.966 280 HG23 ILE 29 HG23 ILE 29 3.341 17.243 -3.721 281 HD11 ILE 29 HD11 ILE 29 1.330 17.781 0.866 282 HD12 ILE 29 HD12 ILE 29 1.341 18.333 -0.780 283 HD13 ILE 29 HD13 ILE 29 0.257 17.018 -0.293 284 H GLN 30 HN GLN 30 6.179 18.235 -1.632 285 HA GLN 30 HA GLN 30 6.763 18.044 -4.411 286 HB2 GLN 30 HB2 GLN 30 8.100 19.701 -2.217 287 HB3 GLN 30 HB3 GLN 30 8.494 19.831 -3.902 288 HG2 GLN 30 HG2 GLN 30 6.009 20.771 -2.507 289 HG3 GLN 30 HG3 GLN 30 7.052 21.640 -3.578 290 HE21 GLN 30 HE21 GLN 30 4.069 20.083 -3.280 291 HE22 GLN 30 HE22 GLN 30 3.693 19.820 -4.962 292 H LYS 31 HN LYS 31 8.677 16.942 -1.582 293 HA LYS 31 HA LYS 31 10.806 15.966 -3.332 294 HB2 LYS 31 HB2 LYS 31 11.919 15.309 -1.389 295 HB3 LYS 31 HB3 LYS 31 11.177 16.824 -1.027 296 HG2 LYS 31 HG2 LYS 31 10.636 15.765 0.906 297 HG3 LYS 31 HG3 LYS 31 9.245 15.247 0.004 298 HD2 LYS 31 HD2 LYS 31 10.158 13.047 -0.400 299 HD3 LYS 31 HD3 LYS 31 11.760 13.520 0.083 300 HE2 LYS 31 HE2 LYS 31 9.339 13.379 1.962 301 HE3 LYS 31 HE3 LYS 31 10.542 12.119 1.787 302 HZ1 LYS 31 HZ1 LYS 31 11.021 13.502 3.646 303 HZ2 LYS 31 HZ2 LYS 31 11.094 14.847 2.699 304 HZ3 LYS 31 HZ3 LYS 31 12.216 13.655 2.520 305 H GLY 32 HN GLY 32 7.676 14.777 -2.416 306 HA2 GLY 32 HA2 GLY 32 8.298 11.925 -2.714 307 HA3 GLY 32 HA1 GLY 32 6.736 12.679 -2.476 308 H LYS 33 HN LYS 33 6.764 14.579 -4.672 309 HA LYS 33 HA LYS 33 6.300 12.817 -6.943 310 HB2 LYS 33 HB2 LYS 33 5.351 14.756 -8.048 311 HB3 LYS 33 HB3 LYS 33 4.619 14.444 -6.522 312 HG2 LYS 33 HG2 LYS 33 4.985 16.524 -5.827 313 HG3 LYS 33 HG3 LYS 33 6.704 16.356 -6.006 314 HD2 LYS 33 HD2 LYS 33 4.832 17.127 -8.285 315 HD3 LYS 33 HD3 LYS 33 5.596 18.283 -7.236 316 HE2 LYS 33 HE2 LYS 33 7.870 17.367 -7.953 317 HE3 LYS 33 HE3 LYS 33 7.045 16.337 -9.111 318 HZ1 LYS 33 HZ1 LYS 33 6.916 19.264 -9.024 319 HZ2 LYS 33 HZ2 LYS 33 6.143 18.308 -10.124 320 HZ3 LYS 33 HZ3 LYS 33 7.792 18.360 -10.089 321 H ASP 34 HN ASP 34 8.885 14.974 -5.933 322 HA ASP 34 HA ASP 34 10.053 15.030 -8.613 323 HB2 ASP 34 HB2 ASP 34 10.221 17.011 -7.023 324 HB3 ASP 34 HB3 ASP 34 11.236 16.050 -5.993 325 H ILE 35 HN ILE 35 11.181 13.829 -5.368 326 HA ILE 35 HA ILE 35 13.226 12.183 -6.649 327 HB ILE 35 HB ILE 35 12.497 12.305 -3.688 328 HG12 ILE 35 HG12 ILE 35 14.630 13.978 -5.066 329 HG13 ILE 35 HG13 ILE 35 13.078 14.614 -4.614 330 HG21 ILE 35 HG21 ILE 35 13.887 10.352 -4.236 331 HG22 ILE 35 HG22 ILE 35 15.066 11.394 -5.024 332 HG23 ILE 35 HG23 ILE 35 14.793 11.504 -3.290 333 HD11 ILE 35 HD11 ILE 35 14.265 15.252 -2.746 334 HD12 ILE 35 HD12 ILE 35 13.718 13.680 -2.172 335 HD13 ILE 35 HD13 ILE 35 15.353 13.870 -2.808 336 H LYS 36 HN LYS 36 12.827 10.155 -7.332 337 HA LYS 36 HA LYS 36 10.492 8.636 -6.669 338 HB2 LYS 36 HB2 LYS 36 13.020 8.167 -8.274 339 HB3 LYS 36 HB3 LYS 36 12.166 6.774 -7.705 340 HG2 LYS 36 HG2 LYS 36 11.349 7.128 -9.853 341 HG3 LYS 36 HG3 LYS 36 10.058 7.485 -8.745 342 HD2 LYS 36 HD2 LYS 36 10.434 9.929 -9.069 343 HD3 LYS 36 HD3 LYS 36 11.781 9.587 -10.132 344 HE2 LYS 36 HE2 LYS 36 10.193 8.328 -11.674 345 HE3 LYS 36 HE3 LYS 36 8.859 8.771 -10.624 346 HZ1 LYS 36 HZ1 LYS 36 9.074 10.246 -12.469 347 HZ2 LYS 36 HZ2 LYS 36 10.620 10.638 -12.051 348 HZ3 LYS 36 HZ3 LYS 36 9.368 11.072 -11.071 349 H GLY 37 HN GLY 37 10.098 7.333 -5.025 350 HA2 GLY 37 HA2 GLY 37 12.075 6.775 -2.918 351 HA3 GLY 37 HA1 GLY 37 10.366 6.374 -2.944 352 H VAL 38 HN VAL 38 11.493 4.360 -2.044 353 HA VAL 38 HA VAL 38 11.611 2.309 -4.167 354 HB VAL 38 HB VAL 38 13.597 2.535 -1.837 355 HG11 VAL 38 HG11 VAL 38 13.324 0.278 -3.864 356 HG12 VAL 38 HG12 VAL 38 14.704 0.504 -2.803 357 HG13 VAL 38 HG13 VAL 38 13.137 0.153 -2.114 358 HG21 VAL 38 HG21 VAL 38 14.140 2.741 -4.824 359 HG22 VAL 38 HG22 VAL 38 14.334 4.021 -3.627 360 HG23 VAL 38 HG23 VAL 38 15.381 2.621 -3.581 361 H SER 39 HN SER 39 10.833 0.245 -3.357 362 HA SER 39 HA SER 39 9.705 0.195 -0.611 363 HB2 SER 39 HB2 SER 39 8.191 -0.281 -3.248 364 HB3 SER 39 HB3 SER 39 7.637 -0.929 -1.716 365 HG SER 39 HG SER 39 8.119 1.804 -2.224 366 H GLU 40 HN GLU 40 9.360 -1.968 0.180 367 HA GLU 40 HA GLU 40 10.516 -4.139 -1.442 368 HB2 GLU 40 HB2 GLU 40 12.368 -3.159 -0.023 369 HB3 GLU 40 HB3 GLU 40 11.454 -3.537 1.396 370 HG2 GLU 40 HG2 GLU 40 11.542 -5.976 0.886 371 HG3 GLU 40 HG3 GLU 40 12.380 -5.637 -0.611 372 H ILE 41 HN ILE 41 9.627 -6.076 -1.132 373 HA ILE 41 HA ILE 41 7.376 -6.288 0.815 374 HB ILE 41 HB ILE 41 7.555 -7.340 -2.031 375 HG12 ILE 41 HG12 ILE 41 5.553 -5.333 -0.935 376 HG13 ILE 41 HG13 ILE 41 6.970 -4.869 -1.827 377 HG21 ILE 41 HG21 ILE 41 5.157 -8.122 -1.586 378 HG22 ILE 41 HG22 ILE 41 6.401 -9.027 -0.745 379 HG23 ILE 41 HG23 ILE 41 5.480 -7.821 0.126 380 HD11 ILE 41 HD11 ILE 41 4.452 -6.038 -2.877 381 HD12 ILE 41 HD12 ILE 41 5.608 -4.960 -3.653 382 HD13 ILE 41 HD13 ILE 41 5.911 -6.691 -3.616 383 H VAL 42 HN VAL 42 7.566 -8.024 2.124 384 HA VAL 42 HA VAL 42 9.334 -10.302 1.352 385 HB VAL 42 HB VAL 42 9.351 -8.880 4.055 386 HG11 VAL 42 HG11 VAL 42 9.714 -11.296 4.400 387 HG12 VAL 42 HG12 VAL 42 10.945 -11.310 3.141 388 HG13 VAL 42 HG13 VAL 42 11.213 -10.430 4.640 389 HG21 VAL 42 HG21 VAL 42 10.611 -7.501 2.517 390 HG22 VAL 42 HG22 VAL 42 11.735 -8.339 3.562 391 HG23 VAL 42 HG23 VAL 42 11.499 -8.897 1.908 392 H GLN 43 HN GLN 43 7.509 -11.515 0.838 393 HA GLN 43 HA GLN 43 5.384 -11.964 2.759 394 HB2 GLN 43 HB2 GLN 43 5.035 -12.095 0.307 395 HB3 GLN 43 HB3 GLN 43 6.187 -13.385 0.174 396 HG2 GLN 43 HG2 GLN 43 3.915 -14.280 0.049 397 HG3 GLN 43 HG3 GLN 43 4.690 -14.907 1.478 398 HE21 GLN 43 HE21 GLN 43 2.495 -15.377 2.327 399 HE22 GLN 43 HE22 GLN 43 1.534 -14.081 2.977 400 H ASN 44 HN ASN 44 5.196 -13.600 4.246 401 HA ASN 44 HA ASN 44 7.159 -15.758 4.393 402 HB2 ASN 44 HB2 ASN 44 7.973 -15.167 6.615 403 HB3 ASN 44 HB3 ASN 44 8.420 -13.969 5.444 404 HD21 ASN 44 HD21 ASN 44 7.059 -11.848 5.421 405 HD22 ASN 44 HD22 ASN 44 6.508 -11.304 6.988 406 H GLY 45 HN GLY 45 5.412 -17.103 3.982 407 HA2 GLY 45 HA2 GLY 45 3.917 -18.677 4.723 408 HA3 GLY 45 HA1 GLY 45 4.011 -18.029 6.350 409 H LYS 46 HN LYS 46 2.192 -16.979 7.073 410 HA LYS 46 HA LYS 46 0.086 -16.092 5.194 411 HB2 LYS 46 HB2 LYS 46 -0.377 -17.621 7.184 412 HB3 LYS 46 HB3 LYS 46 0.097 -16.329 8.239 413 HG2 LYS 46 HG2 LYS 46 -2.295 -16.354 8.186 414 HG3 LYS 46 HG3 LYS 46 -1.819 -14.932 7.343 415 HD2 LYS 46 HD2 LYS 46 -3.579 -15.844 6.047 416 HD3 LYS 46 HD3 LYS 46 -2.148 -16.159 5.132 417 HE2 LYS 46 HE2 LYS 46 -3.551 -18.131 5.060 418 HE3 LYS 46 HE3 LYS 46 -2.135 -18.547 6.000 419 HZ1 LYS 46 HZ1 LYS 46 -4.149 -19.287 7.029 420 HZ2 LYS 46 HZ2 LYS 46 -4.751 -17.753 7.084 421 HZ3 LYS 46 HZ3 LYS 46 -3.433 -18.152 7.986 422 H HIS 47 HN HIS 47 2.758 -14.792 6.967 423 HA HIS 47 HA HIS 47 1.630 -12.121 7.341 424 HB2 HIS 47 HB2 HIS 47 4.077 -13.641 8.198 425 HB3 HIS 47 HB3 HIS 47 4.320 -11.947 7.941 426 HD1 HIS 47 HD1 HIS 47 2.196 -10.438 9.187 427 HD2 HIS 47 HD2 HIS 47 3.509 -14.060 10.899 428 HE1 HIS 47 HE1 HIS 47 1.660 -10.389 11.657 429 H PHE 48 HN PHE 48 2.314 -10.249 6.347 430 HA PHE 48 HA PHE 48 4.121 -10.390 3.978 431 HB2 PHE 48 HB2 PHE 48 1.666 -10.412 3.306 432 HB3 PHE 48 HB3 PHE 48 1.440 -8.980 4.236 433 HD1 PHE 48 HD1 PHE 48 2.755 -6.774 3.476 434 HD2 PHE 48 HD2 PHE 48 2.260 -10.264 0.974 435 HE1 PHE 48 HE1 PHE 48 3.171 -5.440 1.452 436 HE2 PHE 48 HE2 PHE 48 2.736 -8.905 -0.981 437 HZ PHE 48 HZ PHE 48 3.139 -6.482 -0.758 438 H LYS 49 HN LYS 49 5.800 -9.098 4.465 439 HA LYS 49 HA LYS 49 5.543 -6.707 6.177 440 HB2 LYS 49 HB2 LYS 49 7.615 -8.585 5.407 441 HB3 LYS 49 HB3 LYS 49 8.135 -7.031 4.855 442 HG2 LYS 49 HG2 LYS 49 7.306 -7.697 7.711 443 HG3 LYS 49 HG3 LYS 49 8.925 -7.781 7.102 444 HD2 LYS 49 HD2 LYS 49 8.746 -5.273 6.526 445 HD3 LYS 49 HD3 LYS 49 7.216 -5.266 7.352 446 HE2 LYS 49 HE2 LYS 49 8.907 -4.492 8.914 447 HE3 LYS 49 HE3 LYS 49 8.345 -6.057 9.468 448 HZ1 LYS 49 HZ1 LYS 49 10.283 -7.034 8.442 449 HZ2 LYS 49 HZ2 LYS 49 10.716 -5.881 9.538 450 HZ3 LYS 49 HZ3 LYS 49 10.797 -5.555 7.923 451 H PHE 50 HN PHE 50 5.306 -4.669 5.310 452 HA PHE 50 HA PHE 50 5.822 -4.219 2.398 453 HB2 PHE 50 HB2 PHE 50 3.305 -4.268 3.296 454 HB3 PHE 50 HB3 PHE 50 3.665 -2.740 3.990 455 HD1 PHE 50 HD1 PHE 50 5.580 -1.916 1.400 456 HD2 PHE 50 HD2 PHE 50 1.504 -3.217 2.034 457 HE1 PHE 50 HE1 PHE 50 4.878 -0.740 -0.607 458 HE2 PHE 50 HE2 PHE 50 0.842 -2.016 -0.005 459 HZ PHE 50 HZ PHE 50 2.519 -0.788 -1.329 460 H THR 51 HN THR 51 7.713 -3.125 2.464 461 HA THR 51 HA THR 51 8.162 -0.956 4.461 462 HB THR 51 HB THR 51 10.062 -2.442 2.594 463 HG1 THR 51 HG1 THR 51 10.902 -3.200 4.616 464 HG21 THR 51 HG21 THR 51 11.016 -0.181 2.994 465 HG22 THR 51 HG22 THR 51 11.924 -1.371 3.903 466 HG23 THR 51 HG23 THR 51 10.739 -0.363 4.725 467 H ILE 52 HN ILE 52 8.503 1.125 3.746 468 HA ILE 52 HA ILE 52 8.613 1.726 0.844 469 HB ILE 52 HB ILE 52 6.820 3.288 2.779 470 HG12 ILE 52 HG12 ILE 52 4.990 2.375 1.079 471 HG13 ILE 52 HG13 ILE 52 6.059 1.025 0.928 472 HG21 ILE 52 HG21 ILE 52 7.147 3.479 -0.251 473 HG22 ILE 52 HG22 ILE 52 6.027 4.424 0.723 474 HG23 ILE 52 HG23 ILE 52 7.748 4.653 0.914 475 HD11 ILE 52 HD11 ILE 52 4.373 1.948 3.255 476 HD12 ILE 52 HD12 ILE 52 4.749 0.306 2.755 477 HD13 ILE 52 HD13 ILE 52 5.905 1.222 3.708 478 H THR 53 HN THR 53 10.587 2.560 0.721 479 HA THR 53 HA THR 53 11.699 4.451 2.707 480 HB THR 53 HB THR 53 12.800 3.235 0.126 481 HG1 THR 53 HG1 THR 53 12.641 1.810 1.846 482 HG21 THR 53 HG21 THR 53 13.946 5.409 0.420 483 HG22 THR 53 HG22 THR 53 15.038 4.116 0.868 484 HG23 THR 53 HG23 THR 53 14.239 5.061 2.121 485 H ALA 54 HN ALA 54 11.609 6.664 2.339 486 HA ALA 54 HA ALA 54 10.991 7.730 -0.348 487 HB1 ALA 54 HB1 ALA 54 9.134 8.062 2.072 488 HB2 ALA 54 HB2 ALA 54 8.999 8.963 0.563 489 HB3 ALA 54 HB3 ALA 54 8.751 7.224 0.573 490 H GLY 55 HN GLY 55 12.533 9.193 -0.622 491 HA2 GLY 55 HA2 GLY 55 13.698 11.143 -0.358 492 HA3 GLY 55 HA1 GLY 55 12.844 11.487 1.135 493 H SER 56 HN SER 56 13.584 10.464 3.133 494 HA SER 56 HA SER 56 16.043 8.926 3.179 495 HB2 SER 56 HB2 SER 56 16.839 11.329 2.976 496 HB3 SER 56 HB3 SER 56 16.014 11.703 4.474 497 HG SER 56 HG SER 56 17.356 10.129 5.479 498 H LYS 57 HN LYS 57 13.117 8.746 3.982 499 HA LYS 57 HA LYS 57 13.583 7.713 6.728 500 HB2 LYS 57 HB2 LYS 57 11.259 8.372 7.292 501 HB3 LYS 57 HB3 LYS 57 12.314 9.735 7.099 502 HG2 LYS 57 HG2 LYS 57 11.338 10.431 5.073 503 HG3 LYS 57 HG3 LYS 57 10.635 8.888 4.715 504 HD2 LYS 57 HD2 LYS 57 9.706 10.484 7.126 505 HD3 LYS 57 HD3 LYS 57 9.092 10.843 5.541 506 HE2 LYS 57 HE2 LYS 57 8.889 8.089 6.893 507 HE3 LYS 57 HE3 LYS 57 7.606 9.282 6.843 508 HZ1 LYS 57 HZ1 LYS 57 7.618 9.154 4.465 509 HZ2 LYS 57 HZ2 LYS 57 7.351 7.671 5.139 510 HZ3 LYS 57 HZ3 LYS 57 8.826 8.029 4.492 511 H VAL 58 HN VAL 58 12.439 5.809 7.232 512 HA VAL 58 HA VAL 58 11.216 4.385 4.908 513 HB VAL 58 HB VAL 58 13.057 3.139 6.994 514 HG11 VAL 58 HG11 VAL 58 11.840 1.976 4.445 515 HG12 VAL 58 HG12 VAL 58 13.006 1.157 5.479 516 HG13 VAL 58 HG13 VAL 58 11.405 1.521 6.087 517 HG21 VAL 58 HG21 VAL 58 14.698 2.853 5.110 518 HG22 VAL 58 HG22 VAL 58 13.713 3.937 4.133 519 HG23 VAL 58 HG23 VAL 58 14.488 4.523 5.598 520 H ILE 59 HN ILE 59 9.167 4.144 5.344 521 HA ILE 59 HA ILE 59 8.120 3.485 8.034 522 HB ILE 59 HB ILE 59 6.860 3.816 5.275 523 HG12 ILE 59 HG12 ILE 59 6.225 5.512 7.704 524 HG13 ILE 59 HG13 ILE 59 7.600 5.883 6.717 525 HG21 ILE 59 HG21 ILE 59 5.361 3.111 7.842 526 HG22 ILE 59 HG22 ILE 59 4.600 3.610 6.341 527 HG23 ILE 59 HG23 ILE 59 5.469 2.111 6.392 528 HD11 ILE 59 HD11 ILE 59 4.733 5.775 5.666 529 HD12 ILE 59 HD12 ILE 59 5.694 7.211 5.968 530 HD13 ILE 59 HD13 ILE 59 6.157 6.092 4.685 531 H GLN 60 HN GLN 60 7.399 1.378 8.519 532 HA GLN 60 HA GLN 60 6.940 -0.451 6.400 533 HB2 GLN 60 HB2 GLN 60 8.303 -2.350 7.284 534 HB3 GLN 60 HB3 GLN 60 9.204 -1.105 6.511 535 HG2 GLN 60 HG2 GLN 60 9.065 -0.552 9.416 536 HG3 GLN 60 HG3 GLN 60 9.582 -2.188 9.142 537 HE21 GLN 60 HE21 GLN 60 10.592 1.095 9.157 538 HE22 GLN 60 HE22 GLN 60 12.176 0.852 8.475 539 H ASN 61 HN ASN 61 5.508 -1.974 6.827 540 HA ASN 61 HA ASN 61 4.363 -2.238 9.550 541 HB2 ASN 61 HB2 ASN 61 2.860 -1.765 6.897 542 HB3 ASN 61 HB3 ASN 61 2.088 -2.294 8.367 543 HD21 ASN 61 HD21 ASN 61 3.033 0.474 6.597 544 HD22 ASN 61 HD22 ASN 61 2.732 1.659 7.835 545 H GLU 62 HN GLU 62 3.204 -4.285 9.784 546 HA GLU 62 HA GLU 62 3.371 -6.175 7.589 547 HB2 GLU 62 HB2 GLU 62 5.437 -6.707 8.664 548 HB3 GLU 62 HB3 GLU 62 4.733 -6.690 10.252 549 HG2 GLU 62 HG2 GLU 62 3.576 -8.767 9.908 550 HG3 GLU 62 HG3 GLU 62 3.791 -8.725 8.175 551 H PHE 63 HN PHE 63 1.820 -7.727 7.569 552 HA PHE 63 HA PHE 63 -0.288 -7.644 9.641 553 HB2 PHE 63 HB2 PHE 63 -2.004 -7.346 7.927 554 HB3 PHE 63 HB3 PHE 63 -0.928 -5.974 7.980 555 HD1 PHE 63 HD1 PHE 63 0.303 -5.256 6.057 556 HD2 PHE 63 HD2 PHE 63 -1.809 -9.023 5.965 557 HE1 PHE 63 HE1 PHE 63 0.595 -5.383 3.619 558 HE2 PHE 63 HE2 PHE 63 -1.456 -9.129 3.529 559 HZ PHE 63 HZ PHE 63 -0.296 -7.305 2.358 560 H THR 64 HN THR 64 -1.547 -9.477 9.770 561 HA THR 64 HA THR 64 -0.608 -11.907 8.343 562 HB THR 64 HB THR 64 -2.706 -11.667 10.567 563 HG1 THR 64 HG1 THR 64 -1.014 -12.469 11.881 564 HG21 THR 64 HG21 THR 64 -2.868 -13.827 9.354 565 HG22 THR 64 HG22 THR 64 -2.121 -14.103 10.920 566 HG23 THR 64 HG23 THR 64 -1.122 -14.055 9.481 567 H VAL 65 HN VAL 65 -1.774 -12.593 6.583 568 HA VAL 65 HA VAL 65 -3.904 -11.073 5.523 569 HB VAL 65 HB VAL 65 -2.807 -13.823 4.845 570 HG11 VAL 65 HG11 VAL 65 -5.088 -13.921 3.937 571 HG12 VAL 65 HG12 VAL 65 -4.927 -12.303 3.252 572 HG13 VAL 65 HG13 VAL 65 -3.979 -13.641 2.617 573 HG21 VAL 65 HG21 VAL 65 -2.509 -11.170 3.385 574 HG22 VAL 65 HG22 VAL 65 -1.285 -11.878 4.433 575 HG23 VAL 65 HG23 VAL 65 -1.743 -12.692 2.949 576 H GLY 66 HN GLY 66 -6.053 -11.173 5.680 577 HA2 GLY 66 HA2 GLY 66 -8.161 -11.971 6.030 578 HA3 GLY 66 HA1 GLY 66 -7.554 -13.533 6.541 579 H GLU 67 HN GLU 67 -5.836 -11.346 8.441 580 HA GLU 67 HA GLU 67 -7.927 -11.152 10.578 581 HB2 GLU 67 HB2 GLU 67 -4.889 -11.333 10.806 582 HB3 GLU 67 HB3 GLU 67 -5.981 -11.073 12.134 583 HG2 GLU 67 HG2 GLU 67 -7.056 -13.323 11.662 584 HG3 GLU 67 HG3 GLU 67 -5.889 -13.590 10.385 585 H GLU 68 HN GLU 68 -7.870 -9.232 11.858 586 HA GLU 68 HA GLU 68 -7.187 -6.806 10.420 587 HB2 GLU 68 HB2 GLU 68 -8.418 -7.377 13.135 588 HB3 GLU 68 HB3 GLU 68 -7.961 -5.761 12.666 589 HG2 GLU 68 HG2 GLU 68 -9.417 -5.914 10.638 590 HG3 GLU 68 HG3 GLU 68 -9.912 -7.531 11.099 591 H CYS 69 HN CYS 69 -5.738 -5.329 10.864 592 HA CYS 69 HA CYS 69 -3.586 -5.698 12.831 593 HB2 CYS 69 HB2 CYS 69 -1.858 -5.451 11.094 594 HB3 CYS 69 HB3 CYS 69 -2.848 -6.829 10.672 595 HG CYS 69 HG CYS 69 -4.399 -5.585 8.990 596 H GLU 70 HN GLU 70 -2.050 -3.525 12.211 597 HA GLU 70 HA GLU 70 -3.852 -1.286 11.538 598 HB2 GLU 70 HB2 GLU 70 -3.543 -1.517 14.112 599 HB3 GLU 70 HB3 GLU 70 -1.883 -1.056 13.841 600 HG2 GLU 70 HG2 GLU 70 -2.792 1.059 12.630 601 HG3 GLU 70 HG3 GLU 70 -4.385 0.551 13.120 602 H LEU 71 HN LEU 71 -3.050 -0.042 10.059 603 HA LEU 71 HA LEU 71 -0.184 -0.217 9.261 604 HB2 LEU 71 HB2 LEU 71 -2.811 0.141 7.811 605 HB3 LEU 71 HB3 LEU 71 -1.474 1.070 7.215 606 HG LEU 71 HG LEU 71 -0.096 -0.953 6.967 607 HD11 LEU 71 HD11 LEU 71 -0.683 -2.828 8.097 608 HD12 LEU 71 HD12 LEU 71 -1.869 -3.124 6.843 609 HD13 LEU 71 HD13 LEU 71 -2.348 -2.304 8.312 610 HD21 LEU 71 HD21 LEU 71 -2.020 0.035 5.229 611 HD22 LEU 71 HD22 LEU 71 -2.383 -1.676 5.228 612 HD23 LEU 71 HD23 LEU 71 -0.766 -1.120 4.823 613 H GLU 72 HN GLU 72 0.759 1.762 8.507 614 HA GLU 72 HA GLU 72 -0.190 4.215 9.888 615 HB2 GLU 72 HB2 GLU 72 1.925 3.279 10.731 616 HB3 GLU 72 HB3 GLU 72 2.620 3.282 9.156 617 HG2 GLU 72 HG2 GLU 72 1.652 5.928 10.332 618 HG3 GLU 72 HG3 GLU 72 3.099 5.201 10.965 619 H THR 73 HN THR 73 -0.392 6.081 8.687 620 HA THR 73 HA THR 73 0.142 5.988 5.737 621 HB THR 73 HB THR 73 -1.779 7.804 7.275 622 HG1 THR 73 HG1 THR 73 -2.523 5.684 7.120 623 HG21 THR 73 HG21 THR 73 -1.352 7.547 4.261 624 HG22 THR 73 HG22 THR 73 -0.997 8.972 5.240 625 HG23 THR 73 HG23 THR 73 -2.655 8.447 5.032 626 H MET 74 HN MET 74 1.372 7.659 4.933 627 HA MET 74 HA MET 74 3.629 8.142 6.156 628 HB2 MET 74 HB2 MET 74 2.420 9.971 4.041 629 HB3 MET 74 HB3 MET 74 4.125 9.850 4.384 630 HG2 MET 74 HG2 MET 74 4.020 7.394 3.722 631 HG3 MET 74 HG3 MET 74 2.356 7.642 3.241 632 HE1 MET 74 HE1 MET 74 4.481 6.418 1.290 633 HE2 MET 74 HE2 MET 74 2.802 6.743 0.827 634 HE3 MET 74 HE3 MET 74 4.128 7.298 -0.204 635 H THR 75 HN THR 75 0.987 10.456 6.619 636 HA THR 75 HA THR 75 2.603 12.559 7.731 637 HB THR 75 HB THR 75 0.534 13.173 6.724 638 HG1 THR 75 HG1 THR 75 -0.624 14.115 8.472 639 HG21 THR 75 HG21 THR 75 -0.823 11.124 6.860 640 HG22 THR 75 HG22 THR 75 -1.715 12.425 7.621 641 HG23 THR 75 HG23 THR 75 -0.877 11.229 8.609 642 H GLY 76 HN GLY 76 1.343 9.583 9.069 643 HA2 GLY 76 HA2 GLY 76 2.422 8.861 11.119 644 HA3 GLY 76 HA1 GLY 76 2.106 10.416 11.860 645 H GLU 77 HN GLU 77 -0.605 9.493 9.910 646 HA GLU 77 HA GLU 77 -2.380 8.970 12.087 647 HB2 GLU 77 HB2 GLU 77 -2.538 8.432 9.101 648 HB3 GLU 77 HB3 GLU 77 -3.878 8.142 10.156 649 HG2 GLU 77 HG2 GLU 77 -4.095 10.504 10.707 650 HG3 GLU 77 HG3 GLU 77 -2.626 10.915 9.868 651 H LYS 78 HN LYS 78 -3.363 7.066 12.762 652 HA LYS 78 HA LYS 78 -2.073 4.466 12.046 653 HB2 LYS 78 HB2 LYS 78 -3.127 5.515 14.714 654 HB3 LYS 78 HB3 LYS 78 -2.582 3.894 14.473 655 HG2 LYS 78 HG2 LYS 78 -0.575 6.047 13.806 656 HG3 LYS 78 HG3 LYS 78 -1.062 5.919 15.457 657 HD2 LYS 78 HD2 LYS 78 0.902 4.644 15.256 658 HD3 LYS 78 HD3 LYS 78 -0.382 3.505 15.491 659 HE2 LYS 78 HE2 LYS 78 0.704 4.147 12.694 660 HE3 LYS 78 HE3 LYS 78 1.439 2.949 13.741 661 HZ1 LYS 78 HZ1 LYS 78 -0.678 1.822 13.869 662 HZ2 LYS 78 HZ2 LYS 78 -0.055 1.880 12.337 663 HZ3 LYS 78 HZ3 LYS 78 -1.302 2.866 12.763 664 H VAL 79 HN VAL 79 -3.507 3.048 11.164 665 HA VAL 79 HA VAL 79 -6.413 3.325 11.655 666 HB VAL 79 HB VAL 79 -6.643 3.060 9.082 667 HG11 VAL 79 HG11 VAL 79 -6.768 5.463 8.701 668 HG12 VAL 79 HG12 VAL 79 -7.404 5.068 10.290 669 HG13 VAL 79 HG13 VAL 79 -5.800 5.784 10.134 670 HG21 VAL 79 HG21 VAL 79 -4.243 2.700 8.474 671 HG22 VAL 79 HG22 VAL 79 -4.932 4.089 7.654 672 HG23 VAL 79 HG23 VAL 79 -3.863 4.326 9.023 673 H LYS 80 HN LYS 80 -7.433 1.458 11.838 674 HA LYS 80 HA LYS 80 -6.115 -1.065 11.504 675 HB2 LYS 80 HB2 LYS 80 -8.903 -0.174 12.356 676 HB3 LYS 80 HB3 LYS 80 -8.693 -1.787 11.809 677 HG2 LYS 80 HG2 LYS 80 -8.257 -2.414 13.829 678 HG3 LYS 80 HG3 LYS 80 -6.649 -1.823 13.587 679 HD2 LYS 80 HD2 LYS 80 -8.874 -0.065 14.724 680 HD3 LYS 80 HD3 LYS 80 -7.931 -1.128 15.732 681 HE2 LYS 80 HE2 LYS 80 -5.847 0.014 15.040 682 HE3 LYS 80 HE3 LYS 80 -6.746 1.113 14.006 683 HZ1 LYS 80 HZ1 LYS 80 -7.051 0.892 16.907 684 HZ2 LYS 80 HZ2 LYS 80 -7.874 1.939 15.927 685 HZ3 LYS 80 HZ3 LYS 80 -6.231 2.064 16.086 686 H THR 81 HN THR 81 -6.592 -2.760 10.054 687 HA THR 81 HA THR 81 -8.565 -2.609 8.030 688 HB THR 81 HB THR 81 -7.017 -0.944 6.989 689 HG1 THR 81 HG1 THR 81 -8.148 -2.125 5.600 690 HG21 THR 81 HG21 THR 81 -4.803 -1.574 6.114 691 HG22 THR 81 HG22 THR 81 -4.909 -3.171 6.831 692 HG23 THR 81 HG23 THR 81 -4.792 -1.746 7.862 693 H VAL 82 HN VAL 82 -8.409 -4.441 6.503 694 HA VAL 82 HA VAL 82 -6.687 -6.733 7.337 695 HB VAL 82 HB VAL 82 -9.466 -6.810 6.026 696 HG11 VAL 82 HG11 VAL 82 -9.330 -9.315 6.461 697 HG12 VAL 82 HG12 VAL 82 -8.250 -8.753 5.215 698 HG13 VAL 82 HG13 VAL 82 -7.623 -9.109 6.825 699 HG21 VAL 82 HG21 VAL 82 -10.292 -7.892 8.097 700 HG22 VAL 82 HG22 VAL 82 -8.737 -7.602 8.862 701 HG23 VAL 82 HG23 VAL 82 -9.762 -6.248 8.384 702 H VAL 83 HN VAL 83 -5.767 -7.853 5.524 703 HA VAL 83 HA VAL 83 -6.213 -6.654 2.819 704 HB VAL 83 HB VAL 83 -3.667 -8.001 3.773 705 HG11 VAL 83 HG11 VAL 83 -3.913 -8.167 1.348 706 HG12 VAL 83 HG12 VAL 83 -4.275 -6.453 1.212 707 HG13 VAL 83 HG13 VAL 83 -2.672 -6.986 1.687 708 HG21 VAL 83 HG21 VAL 83 -2.628 -5.642 3.664 709 HG22 VAL 83 HG22 VAL 83 -4.255 -5.020 3.737 710 HG23 VAL 83 HG23 VAL 83 -3.635 -5.991 5.054 711 H GLN 84 HN GLN 84 -6.659 -8.060 1.232 712 HA GLN 84 HA GLN 84 -6.556 -10.990 1.728 713 HB2 GLN 84 HB2 GLN 84 -8.790 -9.219 0.620 714 HB3 GLN 84 HB3 GLN 84 -8.667 -10.853 0.065 715 HG2 GLN 84 HG2 GLN 84 -8.994 -10.065 2.996 716 HG3 GLN 84 HG3 GLN 84 -10.281 -10.603 1.940 717 HE21 GLN 84 HE21 GLN 84 -9.788 -11.921 4.338 718 HE22 GLN 84 HE22 GLN 84 -9.182 -13.520 3.995 719 H LEU 85 HN LEU 85 -6.208 -12.288 -0.064 720 HA LEU 85 HA LEU 85 -5.082 -10.960 -2.484 721 HB2 LEU 85 HB2 LEU 85 -3.560 -12.348 -0.895 722 HB3 LEU 85 HB3 LEU 85 -4.448 -13.750 -1.376 723 HG LEU 85 HG LEU 85 -2.351 -13.576 -2.517 724 HD11 LEU 85 HD11 LEU 85 -4.478 -14.390 -3.803 725 HD12 LEU 85 HD12 LEU 85 -2.943 -14.235 -4.632 726 HD13 LEU 85 HD13 LEU 85 -4.169 -12.989 -4.835 727 HD21 LEU 85 HD21 LEU 85 -2.438 -11.474 -4.382 728 HD22 LEU 85 HD22 LEU 85 -1.409 -11.615 -2.974 729 HD23 LEU 85 HD23 LEU 85 -2.919 -10.740 -2.868 730 H GLU 86 HN GLU 86 -6.467 -11.108 -4.159 731 HA GLU 86 HA GLU 86 -8.878 -12.648 -3.970 732 HB2 GLU 86 HB2 GLU 86 -9.526 -11.442 -5.969 733 HB3 GLU 86 HB3 GLU 86 -8.806 -10.355 -4.825 734 HG2 GLU 86 HG2 GLU 86 -6.674 -10.345 -6.098 735 HG3 GLU 86 HG3 GLU 86 -7.291 -11.531 -7.212 736 H GLY 87 HN GLY 87 -6.113 -14.084 -4.564 737 HA2 GLY 87 HA2 GLY 87 -5.602 -16.116 -5.487 738 HA3 GLY 87 HA1 GLY 87 -7.196 -16.222 -6.206 739 H ASP 88 HN ASP 88 -5.583 -13.244 -6.974 740 HA ASP 88 HA ASP 88 -4.582 -14.234 -9.589 741 HB2 ASP 88 HB2 ASP 88 -7.023 -13.348 -9.669 742 HB3 ASP 88 HB3 ASP 88 -6.368 -11.793 -9.207 743 H ASN 89 HN ASN 89 -3.049 -13.666 -7.254 744 HA ASN 89 HA ASN 89 -1.387 -12.577 -6.474 745 HB2 ASN 89 HB2 ASN 89 0.381 -11.738 -8.364 746 HB3 ASN 89 HB3 ASN 89 0.063 -13.369 -7.935 747 HD21 ASN 89 HD21 ASN 89 -0.289 -11.049 -10.543 748 HD22 ASN 89 HD22 ASN 89 -0.848 -12.213 -11.721 749 H LYS 90 HN LYS 90 -3.708 -10.908 -6.571 750 HA LYS 90 HA LYS 90 -2.525 -8.181 -6.524 751 HB2 LYS 90 HB2 LYS 90 -5.277 -9.168 -7.383 752 HB3 LYS 90 HB3 LYS 90 -4.959 -7.489 -7.096 753 HG2 LYS 90 HG2 LYS 90 -3.779 -7.198 -9.056 754 HG3 LYS 90 HG3 LYS 90 -3.085 -8.790 -9.040 755 HD2 LYS 90 HD2 LYS 90 -4.554 -8.859 -10.870 756 HD3 LYS 90 HD3 LYS 90 -5.400 -9.714 -9.617 757 HE2 LYS 90 HE2 LYS 90 -6.641 -7.475 -9.108 758 HE3 LYS 90 HE3 LYS 90 -5.981 -6.913 -10.634 759 HZ1 LYS 90 HZ1 LYS 90 -8.102 -7.875 -10.979 760 HZ2 LYS 90 HZ2 LYS 90 -7.699 -9.249 -10.168 761 HZ3 LYS 90 HZ3 LYS 90 -7.001 -8.931 -11.627 762 H LEU 91 HN LEU 91 -2.620 -7.219 -4.578 763 HA LEU 91 HA LEU 91 -4.165 -8.459 -2.380 764 HB2 LEU 91 HB2 LEU 91 -1.993 -6.345 -2.477 765 HB3 LEU 91 HB3 LEU 91 -2.826 -6.737 -1.011 766 HG LEU 91 HG LEU 91 -1.298 -8.811 -2.595 767 HD11 LEU 91 HD11 LEU 91 0.664 -8.013 -1.872 768 HD12 LEU 91 HD12 LEU 91 0.116 -7.937 -0.200 769 HD13 LEU 91 HD13 LEU 91 -0.134 -6.578 -1.265 770 HD21 LEU 91 HD21 LEU 91 -1.700 -10.312 -0.889 771 HD22 LEU 91 HD22 LEU 91 -3.098 -9.303 -0.571 772 HD23 LEU 91 HD23 LEU 91 -1.645 -9.105 0.377 773 H VAL 92 HN VAL 92 -6.027 -7.556 -1.695 774 HA VAL 92 HA VAL 92 -6.753 -4.770 -2.508 775 HB VAL 92 HB VAL 92 -8.531 -7.162 -1.836 776 HG11 VAL 92 HG11 VAL 92 -10.424 -5.710 -2.640 777 HG12 VAL 92 HG12 VAL 92 -9.714 -5.118 -1.156 778 HG13 VAL 92 HG13 VAL 92 -9.323 -4.337 -2.687 779 HG21 VAL 92 HG21 VAL 92 -7.987 -5.870 -4.544 780 HG22 VAL 92 HG22 VAL 92 -7.537 -7.497 -4.055 781 HG23 VAL 92 HG23 VAL 92 -9.226 -7.080 -4.234 782 H THR 93 HN THR 93 -7.195 -3.340 -0.860 783 HA THR 93 HA THR 93 -7.911 -4.176 1.815 784 HB THR 93 HB THR 93 -5.498 -4.585 1.942 785 HG1 THR 93 HG1 THR 93 -6.393 -3.673 3.779 786 HG21 THR 93 HG21 THR 93 -4.682 -2.959 0.149 787 HG22 THR 93 HG22 THR 93 -3.774 -2.906 1.650 788 HG23 THR 93 HG23 THR 93 -4.950 -1.650 1.312 789 H THR 94 HN THR 94 -8.548 -2.429 3.183 790 HA THR 94 HA THR 94 -8.381 0.294 2.350 791 HB THR 94 HB THR 94 -10.218 -0.274 0.827 792 HG1 THR 94 HG1 THR 94 -11.907 1.012 1.794 793 HG21 THR 94 HG21 THR 94 -11.157 -2.324 1.943 794 HG22 THR 94 HG22 THR 94 -12.398 -1.150 1.542 795 HG23 THR 94 HG23 THR 94 -11.852 -1.309 3.205 796 H PHE 95 HN PHE 95 -8.768 1.706 4.009 797 HA PHE 95 HA PHE 95 -9.036 0.560 6.685 798 HB2 PHE 95 HB2 PHE 95 -8.818 3.548 6.102 799 HB3 PHE 95 HB3 PHE 95 -8.306 2.644 7.489 800 HD1 PHE 95 HD1 PHE 95 -6.232 1.087 7.257 801 HD2 PHE 95 HD2 PHE 95 -7.410 3.915 4.229 802 HE1 PHE 95 HE1 PHE 95 -4.043 0.861 6.156 803 HE2 PHE 95 HE2 PHE 95 -5.193 3.694 3.173 804 HZ PHE 95 HZ PHE 95 -3.512 2.169 4.143 805 H LYS 96 HN LYS 96 -10.621 3.217 4.842 806 HA LYS 96 HA LYS 96 -13.216 2.744 6.229 807 HB2 LYS 96 HB2 LYS 96 -11.726 5.366 5.781 808 HB3 LYS 96 HB3 LYS 96 -13.409 5.301 6.209 809 HG2 LYS 96 HG2 LYS 96 -13.028 4.824 8.403 810 HG3 LYS 96 HG3 LYS 96 -11.798 3.667 8.068 811 HD2 LYS 96 HD2 LYS 96 -10.575 5.239 9.202 812 HD3 LYS 96 HD3 LYS 96 -10.217 5.683 7.568 813 HE2 LYS 96 HE2 LYS 96 -12.315 7.060 9.334 814 HE3 LYS 96 HE3 LYS 96 -10.692 7.653 9.041 815 HZ1 LYS 96 HZ1 LYS 96 -12.265 8.723 7.650 816 HZ2 LYS 96 HZ2 LYS 96 -12.741 7.291 6.984 817 HZ3 LYS 96 HZ3 LYS 96 -11.208 7.853 6.732 818 H ASN 97 HN ASN 97 -11.632 4.487 3.457 819 HA ASN 97 HA ASN 97 -13.517 3.232 1.600 820 HB2 ASN 97 HB2 ASN 97 -14.565 5.117 0.751 821 HB3 ASN 97 HB3 ASN 97 -14.689 5.394 2.456 822 HD21 ASN 97 HD21 ASN 97 -13.103 7.029 3.407 823 HD22 ASN 97 HD22 ASN 97 -12.536 8.314 2.370 824 H ILE 98 HN ILE 98 -10.398 4.165 2.302 825 HA ILE 98 HA ILE 98 -9.545 4.893 -0.359 826 HB ILE 98 HB ILE 98 -7.907 4.094 2.076 827 HG12 ILE 98 HG12 ILE 98 -8.683 6.861 1.120 828 HG13 ILE 98 HG13 ILE 98 -9.358 6.091 2.520 829 HG21 ILE 98 HG21 ILE 98 -7.020 5.564 -0.459 830 HG22 ILE 98 HG22 ILE 98 -6.012 5.285 0.953 831 HG23 ILE 98 HG23 ILE 98 -6.538 3.936 -0.014 832 HD11 ILE 98 HD11 ILE 98 -7.758 7.341 3.599 833 HD12 ILE 98 HD12 ILE 98 -6.717 5.973 3.231 834 HD13 ILE 98 HD13 ILE 98 -6.695 7.402 2.201 835 H LYS 99 HN LYS 99 -10.288 3.154 -1.646 836 HA LYS 99 HA LYS 99 -9.609 0.386 -1.209 837 HB2 LYS 99 HB2 LYS 99 -10.760 1.941 -3.570 838 HB3 LYS 99 HB3 LYS 99 -10.403 0.238 -3.640 839 HG2 LYS 99 HG2 LYS 99 -11.938 -0.183 -1.705 840 HG3 LYS 99 HG3 LYS 99 -12.418 1.498 -1.758 841 HD2 LYS 99 HD2 LYS 99 -13.179 1.235 -4.113 842 HD3 LYS 99 HD3 LYS 99 -12.613 -0.415 -4.144 843 HE2 LYS 99 HE2 LYS 99 -14.279 -1.010 -2.344 844 HE3 LYS 99 HE3 LYS 99 -14.879 0.640 -2.380 845 HZ1 LYS 99 HZ1 LYS 99 -14.867 -1.226 -4.649 846 HZ2 LYS 99 HZ2 LYS 99 -15.436 0.321 -4.688 847 HZ3 LYS 99 HZ3 LYS 99 -16.179 -0.807 -3.742 848 H SER 100 HN SER 100 -7.401 0.139 -1.004 849 HA SER 100 HA SER 100 -5.605 0.809 -3.245 850 HB2 SER 100 HB2 SER 100 -4.872 0.965 -0.821 851 HB3 SER 100 HB3 SER 100 -5.144 -0.745 -0.666 852 HG SER 100 HG SER 100 -2.974 -0.260 -1.137 853 H VAL 101 HN VAL 101 -5.320 -0.581 -4.909 854 HA VAL 101 HA VAL 101 -5.644 -3.504 -4.475 855 HB VAL 101 HB VAL 101 -6.589 -1.991 -6.949 856 HG11 VAL 101 HG11 VAL 101 -7.342 -4.254 -7.759 857 HG12 VAL 101 HG12 VAL 101 -5.599 -4.152 -7.655 858 HG13 VAL 101 HG13 VAL 101 -6.503 -5.004 -6.408 859 HG21 VAL 101 HG21 VAL 101 -8.272 -1.785 -5.192 860 HG22 VAL 101 HG22 VAL 101 -8.840 -2.926 -6.394 861 HG23 VAL 101 HG23 VAL 101 -8.204 -3.513 -4.859 862 H THR 102 HN THR 102 -3.478 -3.803 -4.240 863 HA THR 102 HA THR 102 -1.507 -2.854 -6.193 864 HB THR 102 HB THR 102 -1.319 -4.923 -3.952 865 HG1 THR 102 HG1 THR 102 -0.148 -3.214 -2.941 866 HG21 THR 102 HG21 THR 102 0.561 -5.370 -5.486 867 HG22 THR 102 HG22 THR 102 1.180 -4.528 -4.085 868 HG23 THR 102 HG23 THR 102 0.928 -3.647 -5.588 869 H GLU 103 HN GLU 103 -0.462 -4.212 -7.672 870 HA GLU 103 HA GLU 103 -1.555 -6.911 -8.276 871 HB2 GLU 103 HB2 GLU 103 -2.561 -5.273 -9.836 872 HB3 GLU 103 HB3 GLU 103 -1.025 -4.516 -10.087 873 HG2 GLU 103 HG2 GLU 103 -0.249 -6.809 -11.143 874 HG3 GLU 103 HG3 GLU 103 -1.940 -7.244 -11.116 875 H LEU 104 HN LEU 104 0.070 -8.360 -8.318 876 HA LEU 104 HA LEU 104 2.876 -7.505 -8.872 877 HB2 LEU 104 HB2 LEU 104 2.503 -8.832 -6.800 878 HB3 LEU 104 HB3 LEU 104 1.629 -10.016 -7.706 879 HG LEU 104 HG LEU 104 3.835 -10.408 -9.047 880 HD11 LEU 104 HD11 LEU 104 5.897 -9.968 -7.623 881 HD12 LEU 104 HD12 LEU 104 4.918 -8.904 -6.626 882 HD13 LEU 104 HD13 LEU 104 5.181 -8.524 -8.332 883 HD21 LEU 104 HD21 LEU 104 4.350 -12.201 -7.710 884 HD22 LEU 104 HD22 LEU 104 2.707 -11.889 -7.182 885 HD23 LEU 104 HD23 LEU 104 4.054 -11.341 -6.202 886 H ASN 105 HN ASN 105 3.487 -7.719 -10.935 887 HA ASN 105 HA ASN 105 2.489 -9.980 -12.565 888 HB2 ASN 105 HB2 ASN 105 2.727 -7.017 -13.333 889 HB3 ASN 105 HB3 ASN 105 3.013 -8.241 -14.537 890 HD21 ASN 105 HD21 ASN 105 0.500 -9.099 -12.210 891 HD22 ASN 105 HD22 ASN 105 -0.810 -8.823 -13.330 892 H GLY 106 HN GLY 106 4.359 -10.806 -11.261 893 HA2 GLY 106 HA2 GLY 106 6.478 -11.626 -11.170 894 HA3 GLY 106 HA1 GLY 106 6.745 -11.037 -12.803 895 H ASP 107 HN ASP 107 8.298 -9.497 -12.974 896 HA ASP 107 HA ASP 107 9.319 -8.066 -10.687 897 HB2 ASP 107 HB2 ASP 107 10.139 -8.031 -13.604 898 HB3 ASP 107 HB3 ASP 107 10.996 -7.118 -12.382 899 H ILE 108 HN ILE 108 6.526 -7.362 -12.155 900 HA ILE 108 HA ILE 108 6.962 -4.396 -11.975 901 HB ILE 108 HB ILE 108 4.824 -5.942 -13.503 902 HG12 ILE 108 HG12 ILE 108 6.930 -6.210 -14.683 903 HG13 ILE 108 HG13 ILE 108 5.820 -5.236 -15.577 904 HG21 ILE 108 HG21 ILE 108 3.860 -3.814 -12.800 905 HG22 ILE 108 HG22 ILE 108 5.278 -2.931 -13.355 906 HG23 ILE 108 HG23 ILE 108 4.210 -3.725 -14.508 907 HD11 ILE 108 HD11 ILE 108 8.190 -4.375 -15.641 908 HD12 ILE 108 HD12 ILE 108 7.062 -3.172 -15.033 909 HD13 ILE 108 HD13 ILE 108 8.113 -4.043 -13.920 910 H ILE 109 HN ILE 109 5.749 -3.293 -10.556 911 HA ILE 109 HA ILE 109 3.542 -4.658 -9.103 912 HB ILE 109 HB ILE 109 5.612 -2.736 -8.006 913 HG12 ILE 109 HG12 ILE 109 6.398 -5.052 -8.119 914 HG13 ILE 109 HG13 ILE 109 6.362 -4.365 -6.522 915 HG21 ILE 109 HG21 ILE 109 3.500 -2.061 -6.940 916 HG22 ILE 109 HG22 ILE 109 3.089 -3.736 -6.607 917 HG23 ILE 109 HG23 ILE 109 4.436 -2.964 -5.776 918 HD11 ILE 109 HD11 ILE 109 4.264 -6.314 -7.588 919 HD12 ILE 109 HD12 ILE 109 5.607 -6.716 -6.523 920 HD13 ILE 109 HD13 ILE 109 4.324 -5.671 -5.947 921 H THR 110 HN THR 110 1.863 -3.779 -10.313 922 HA THR 110 HA THR 110 1.661 -0.819 -10.564 923 HB THR 110 HB THR 110 -0.330 -2.971 -11.422 924 HG1 THR 110 HG1 THR 110 1.243 -3.288 -12.762 925 HG21 THR 110 HG21 THR 110 -1.223 -1.167 -12.934 926 HG22 THR 110 HG22 THR 110 -0.197 0.005 -12.112 927 HG23 THR 110 HG23 THR 110 -1.501 -0.810 -11.246 928 H ASN 111 HN ASN 111 -0.127 0.292 -9.509 929 HA ASN 111 HA ASN 111 -1.813 -1.139 -7.689 930 HB2 ASN 111 HB2 ASN 111 0.059 -0.920 -6.158 931 HB3 ASN 111 HB3 ASN 111 0.385 0.707 -6.673 932 HD21 ASN 111 HD21 ASN 111 -1.569 -1.271 -4.498 933 HD22 ASN 111 HD22 ASN 111 -2.304 0.059 -3.650 934 H THR 112 HN THR 112 -3.710 -0.004 -7.274 935 HA THR 112 HA THR 112 -3.935 2.817 -8.172 936 HB THR 112 HB THR 112 -5.965 0.592 -8.736 937 HG1 THR 112 HG1 THR 112 -4.213 0.686 -10.161 938 HG21 THR 112 HG21 THR 112 -7.195 2.722 -8.248 939 HG22 THR 112 HG22 THR 112 -7.243 2.382 -9.967 940 HG23 THR 112 HG23 THR 112 -6.126 3.594 -9.343 941 H MET 113 HN MET 113 -4.689 4.043 -6.610 942 HA MET 113 HA MET 113 -6.043 2.927 -4.191 943 HB2 MET 113 HB2 MET 113 -3.923 5.070 -4.591 944 HB3 MET 113 HB3 MET 113 -4.917 5.032 -3.167 945 HG2 MET 113 HG2 MET 113 -3.741 2.375 -3.666 946 HG3 MET 113 HG3 MET 113 -2.512 3.609 -3.602 947 HE1 MET 113 HE1 MET 113 -3.061 5.700 -1.627 948 HE2 MET 113 HE2 MET 113 -2.634 5.028 -0.046 949 HE3 MET 113 HE3 MET 113 -1.606 4.715 -1.453 950 H THR 114 HN THR 114 -8.189 3.407 -4.539 951 HA THR 114 HA THR 114 -8.933 6.076 -5.628 952 HB THR 114 HB THR 114 -10.564 3.539 -5.199 953 HG1 THR 114 HG1 THR 114 -10.609 3.696 -7.513 954 HG21 THR 114 HG21 THR 114 -12.132 5.454 -4.987 955 HG22 THR 114 HG22 THR 114 -12.341 4.711 -6.559 956 HG23 THR 114 HG23 THR 114 -11.439 6.217 -6.413 957 H LEU 115 HN LEU 115 -9.297 7.623 -4.193 958 HA LEU 115 HA LEU 115 -10.705 7.085 -1.630 959 HB2 LEU 115 HB2 LEU 115 -8.404 7.419 -1.065 960 HB3 LEU 115 HB3 LEU 115 -8.188 8.720 -2.179 961 HG LEU 115 HG LEU 115 -8.247 9.220 0.291 962 HD11 LEU 115 HD11 LEU 115 -8.470 11.384 -0.179 963 HD12 LEU 115 HD12 LEU 115 -10.132 11.239 -0.731 964 HD13 LEU 115 HD13 LEU 115 -8.805 10.890 -1.823 965 HD21 LEU 115 HD21 LEU 115 -10.056 9.105 1.638 966 HD22 LEU 115 HD22 LEU 115 -10.646 7.934 0.479 967 HD23 LEU 115 HD23 LEU 115 -11.199 9.597 0.395 968 H GLY 116 HN GLY 116 -12.682 7.930 -1.960 969 HA2 GLY 116 HA2 GLY 116 -14.384 9.285 -2.663 970 HA3 GLY 116 HA1 GLY 116 -13.247 10.626 -2.710 971 H ASP 117 HN ASP 117 -13.658 11.539 -4.726 972 HA ASP 117 HA ASP 117 -13.742 9.908 -7.157 973 HB2 ASP 117 HB2 ASP 117 -13.960 12.935 -6.950 974 HB3 ASP 117 HB3 ASP 117 -14.150 11.969 -8.383 975 H ILE 118 HN ILE 118 -11.157 10.701 -5.302 976 HA ILE 118 HA ILE 118 -9.359 11.488 -7.532 977 HB ILE 118 HB ILE 118 -8.571 10.884 -4.645 978 HG12 ILE 118 HG12 ILE 118 -9.292 13.632 -5.725 979 HG13 ILE 118 HG13 ILE 118 -10.304 12.718 -4.644 980 HG21 ILE 118 HG21 ILE 118 -7.184 12.492 -6.844 981 HG22 ILE 118 HG22 ILE 118 -6.594 12.313 -5.204 982 HG23 ILE 118 HG23 ILE 118 -6.678 10.917 -6.243 983 HD11 ILE 118 HD11 ILE 118 -7.968 12.689 -3.179 984 HD12 ILE 118 HD12 ILE 118 -7.847 14.241 -4.005 985 HD13 ILE 118 HD13 ILE 118 -9.249 13.882 -3.002 986 H VAL 119 HN VAL 119 -8.062 9.982 -8.536 987 HA VAL 119 HA VAL 119 -7.864 7.222 -7.386 988 HB VAL 119 HB VAL 119 -8.175 7.916 -10.341 989 HG11 VAL 119 HG11 VAL 119 -6.827 5.834 -9.910 990 HG12 VAL 119 HG12 VAL 119 -8.138 5.202 -8.932 991 HG13 VAL 119 HG13 VAL 119 -8.370 5.464 -10.658 992 HG21 VAL 119 HG21 VAL 119 -10.244 6.717 -8.448 993 HG22 VAL 119 HG22 VAL 119 -10.361 8.270 -9.272 994 HG23 VAL 119 HG23 VAL 119 -10.399 6.784 -10.200 995 H PHE 120 HN PHE 120 -5.897 7.473 -6.529 996 HA PHE 120 HA PHE 120 -3.582 8.528 -7.959 997 HB2 PHE 120 HB2 PHE 120 -3.751 8.981 -5.634 998 HB3 PHE 120 HB3 PHE 120 -4.158 7.346 -5.230 999 HD1 PHE 120 HD1 PHE 120 -1.238 8.742 -7.211 1000 HD2 PHE 120 HD2 PHE 120 -2.561 6.731 -3.637 1001 HE1 PHE 120 HE1 PHE 120 1.091 8.411 -6.514 1002 HE2 PHE 120 HE2 PHE 120 -0.219 6.453 -2.948 1003 HZ PHE 120 HZ PHE 120 1.602 7.294 -4.375 1004 H LYS 121 HN LYS 121 -2.026 7.360 -9.003 1005 HA LYS 121 HA LYS 121 -2.173 4.379 -8.943 1006 HB2 LYS 121 HB2 LYS 121 -1.474 6.210 -11.300 1007 HB3 LYS 121 HB3 LYS 121 -1.157 4.507 -11.239 1008 HG2 LYS 121 HG2 LYS 121 -3.062 4.535 -12.474 1009 HG3 LYS 121 HG3 LYS 121 -3.651 4.085 -10.902 1010 HD2 LYS 121 HD2 LYS 121 -4.546 6.299 -10.494 1011 HD3 LYS 121 HD3 LYS 121 -3.728 6.990 -11.862 1012 HE2 LYS 121 HE2 LYS 121 -5.951 4.874 -12.017 1013 HE3 LYS 121 HE3 LYS 121 -6.194 6.602 -12.214 1014 HZ1 LYS 121 HZ1 LYS 121 -4.511 4.937 -13.937 1015 HZ2 LYS 121 HZ2 LYS 121 -4.747 6.561 -14.101 1016 HZ3 LYS 121 HZ3 LYS 121 -6.011 5.520 -14.302 1017 H ARG 122 HN ARG 122 -0.275 3.304 -8.794 1018 HA ARG 122 HA ARG 122 2.306 4.753 -8.872 1019 HB2 ARG 122 HB2 ARG 122 1.297 2.801 -6.751 1020 HB3 ARG 122 HB3 ARG 122 3.004 2.965 -7.043 1021 HG2 ARG 122 HG2 ARG 122 1.240 5.365 -6.319 1022 HG3 ARG 122 HG3 ARG 122 2.007 4.316 -5.171 1023 HD2 ARG 122 HD2 ARG 122 3.829 5.437 -7.235 1024 HD3 ARG 122 HD3 ARG 122 3.283 6.541 -6.007 1025 HE ARG 122 HE ARG 122 4.687 3.868 -5.685 1026 HH11 ARG 122 HH11 ARG 122 4.375 7.246 -4.595 1027 HH12 ARG 122 HH12 ARG 122 5.514 7.057 -3.289 1028 HH21 ARG 122 HH21 ARG 122 6.227 3.670 -4.015 1029 HH22 ARG 122 HH22 ARG 122 6.608 5.031 -2.998 1030 H ILE 123 HN ILE 123 3.827 3.691 -10.008 1031 HA ILE 123 HA ILE 123 3.455 0.827 -10.696 1032 HB ILE 123 HB ILE 123 4.593 2.937 -12.604 1033 HG12 ILE 123 HG12 ILE 123 2.580 2.077 -14.071 1034 HG13 ILE 123 HG13 ILE 123 1.860 1.596 -12.570 1035 HG21 ILE 123 HG21 ILE 123 4.652 1.060 -14.245 1036 HG22 ILE 123 HG22 ILE 123 5.676 0.717 -12.875 1037 HG23 ILE 123 HG23 ILE 123 4.099 -0.054 -12.999 1038 HD11 ILE 123 HD11 ILE 123 1.240 3.791 -12.121 1039 HD12 ILE 123 HD12 ILE 123 2.823 4.436 -12.543 1040 HD13 ILE 123 HD13 ILE 123 1.642 4.108 -13.800 1041 H SER 124 HN SER 124 5.209 -0.297 -10.142 1042 HA SER 124 HA SER 124 7.841 0.991 -9.704 1043 HB2 SER 124 HB2 SER 124 6.195 -0.679 -7.717 1044 HB3 SER 124 HB3 SER 124 7.931 -0.487 -7.564 1045 HG SER 124 HG SER 124 5.999 1.569 -7.592 1046 H LYS 125 HN LYS 125 9.601 -0.612 -9.676 1047 HA LYS 125 HA LYS 125 8.985 -3.172 -11.020 1048 HB2 LYS 125 HB2 LYS 125 9.359 -1.564 -12.834 1049 HB3 LYS 125 HB3 LYS 125 10.856 -1.032 -12.092 1050 HG2 LYS 125 HG2 LYS 125 11.883 -3.254 -12.516 1051 HG3 LYS 125 HG3 LYS 125 10.381 -3.836 -13.187 1052 HD2 LYS 125 HD2 LYS 125 10.531 -2.102 -14.989 1053 HD3 LYS 125 HD3 LYS 125 12.022 -1.512 -14.296 1054 HE2 LYS 125 HE2 LYS 125 13.085 -3.771 -14.681 1055 HE3 LYS 125 HE3 LYS 125 11.590 -4.337 -15.409 1056 HZ1 LYS 125 HZ1 LYS 125 13.225 -2.102 -16.383 1057 HZ2 LYS 125 HZ2 LYS 125 11.823 -2.632 -17.070 1058 HZ3 LYS 125 HZ3 LYS 125 13.148 -3.612 -17.041 1059 H ARG 126 HN ARG 126 10.332 -4.770 -10.596 1060 HA ARG 126 HA ARG 126 11.730 -4.795 -8.174 1061 HB2 ARG 126 HB2 ARG 126 10.429 -6.533 -9.608 1062 HB3 ARG 126 HB3 ARG 126 11.950 -6.922 -10.348 1063 HG2 ARG 126 HG2 ARG 126 11.356 -6.982 -7.366 1064 HG3 ARG 126 HG3 ARG 126 11.013 -8.347 -8.388 1065 HD2 ARG 126 HD2 ARG 126 13.691 -8.148 -8.946 1066 HD3 ARG 126 HD3 ARG 126 13.617 -7.258 -7.438 1067 HE ARG 126 HE ARG 126 12.210 -9.749 -7.256 1068 HH11 ARG 126 HH11 ARG 126 15.396 -8.231 -6.813 1069 HH12 ARG 126 HH12 ARG 126 15.931 -9.430 -5.668 1070 HH21 ARG 126 HH21 ARG 126 12.890 -11.246 -5.713 1071 HH22 ARG 126 HH22 ARG 126 14.512 -11.189 -5.083 1072 H ILE 127 HN ILE 127 13.867 -4.725 -7.626 1073 HA ILE 127 HA ILE 127 15.774 -3.714 -9.655 1074 HB ILE 127 HB ILE 127 16.163 -3.891 -6.633 1075 HG12 ILE 127 HG12 ILE 127 14.999 -1.559 -8.179 1076 HG13 ILE 127 HG13 ILE 127 14.132 -2.532 -7.035 1077 HG21 ILE 127 HG21 ILE 127 18.242 -3.548 -8.007 1078 HG22 ILE 127 HG22 ILE 127 17.516 -2.121 -8.738 1079 HG23 ILE 127 HG23 ILE 127 17.904 -2.148 -7.022 1080 HD11 ILE 127 HD11 ILE 127 16.051 -0.321 -6.525 1081 HD12 ILE 127 HD12 ILE 127 14.676 -0.859 -5.570 1082 HD13 ILE 127 HD13 ILE 127 16.224 -1.693 -5.440
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