NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10391 | 1ppq | 5900 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 957 1HT GLU 957 20.141 2.782 -1.344 2 2H GLU 957 2HT GLU 957 20.456 1.474 -0.319 3 3H GLU 957 3HT GLU 957 21.729 2.448 -0.862 4 HA GLU 957 HA GLU 957 19.519 3.318 0.906 5 1HB GLU 957 1HB GLU 957 22.443 2.824 1.507 6 2HB GLU 957 2HB GLU 957 21.266 3.476 2.639 7 1HG GLU 957 1HG GLU 957 20.000 1.391 2.526 8 2HG GLU 957 2HG GLU 957 21.184 0.736 1.395 9 H ALA 958 H ALA 958 20.473 4.492 -1.626 10 HA ALA 958 HA ALA 958 21.297 7.101 -0.546 11 1HB ALA 958 1HB ALA 958 23.257 6.029 -1.553 12 2HB ALA 958 2HB ALA 958 22.766 7.463 -2.453 13 3HB ALA 958 3HB ALA 958 22.380 5.859 -3.073 14 H GLU 959 H GLU 959 20.391 8.886 -1.507 15 HA GLU 959 HA GLU 959 18.982 10.152 -2.762 16 1HB GLU 959 2HB GLU 959 20.121 9.071 -4.687 17 2HB GLU 959 1HB GLU 959 18.911 7.797 -4.657 18 1HG GLU 959 2HG GLU 959 17.727 10.443 -4.780 19 2HG GLU 959 1HG GLU 959 18.814 10.121 -6.132 20 H ALA 960 H ALA 960 18.144 7.221 -1.401 21 HA ALA 960 HA ALA 960 16.210 6.343 -0.596 22 1HB ALA 960 1HB ALA 960 14.400 7.879 -0.055 23 2HB ALA 960 2HB ALA 960 15.126 9.116 -1.081 24 3HB ALA 960 3HB ALA 960 15.962 8.577 0.375 25 H LYS 961 H LYS 961 13.658 6.328 -1.155 26 HA LYS 961 HA LYS 961 12.071 5.582 -2.597 27 1HB LYS 961 1HB LYS 961 12.306 7.806 -3.604 28 2HB LYS 961 2HB LYS 961 13.616 7.218 -4.617 29 1HG LYS 961 1HG LYS 961 12.082 5.691 -5.737 30 2HG LYS 961 2HG LYS 961 10.764 6.253 -4.707 31 1HD LYS 961 2HD LYS 961 10.629 7.361 -6.843 32 2HD LYS 961 1HD LYS 961 11.088 8.536 -5.609 33 1HE LYS 961 2HE LYS 961 13.432 8.325 -6.290 34 2HE LYS 961 1HE LYS 961 12.964 7.163 -7.531 35 1HZ LYS 961 1HZ LYS 961 11.633 8.882 -8.587 36 2HZ LYS 961 2HZ LYS 961 13.246 9.371 -8.457 37 3HZ LYS 961 3HZ LYS 961 12.087 9.997 -7.398 38 H SER 962 H SER 962 12.012 3.502 -3.089 39 HA SER 962 HA SER 962 13.602 2.431 -5.235 40 1HB SER 962 2HB SER 962 15.208 2.285 -3.383 41 2HB SER 962 1HB SER 962 14.029 1.390 -2.424 42 HG SER 962 HG SER 962 14.822 0.473 -4.968 43 H CYS 963 H CYS 963 10.920 2.449 -3.235 44 HA CYS 963 HA CYS 963 10.097 -0.269 -3.929 45 1HB CYS 963 2HB CYS 963 8.867 1.809 -2.114 46 2HB CYS 963 1HB CYS 963 8.128 0.248 -2.455 47 H LYS 964 H LYS 964 8.779 -0.697 -5.565 48 HA LYS 964 HA LYS 964 7.801 1.401 -7.247 49 1HB LYS 964 1HB LYS 964 6.830 -0.449 -8.582 50 2HB LYS 964 2HB LYS 964 8.541 -0.672 -8.245 51 1HG LYS 964 1HG LYS 964 7.994 -2.245 -6.462 52 2HG LYS 964 2HG LYS 964 6.274 -2.015 -6.786 53 1HD LYS 964 1HD LYS 964 6.588 -2.882 -9.055 54 2HD LYS 964 2HD LYS 964 8.307 -3.118 -8.725 55 1HE LYS 964 2HE LYS 964 6.023 -4.467 -7.290 56 2HE LYS 964 1HE LYS 964 7.067 -5.208 -8.502 57 1HZ LYS 964 1HZ LYS 964 8.952 -4.886 -7.033 58 2HZ LYS 964 2HZ LYS 964 7.751 -5.789 -6.258 59 3HZ LYS 964 3HZ LYS 964 7.960 -4.157 -5.872 60 H THR 965 H THR 965 5.839 2.315 -7.313 61 HA THR 965 HA THR 965 4.103 2.111 -5.128 62 HB THR 965 HB THR 965 2.570 3.537 -6.372 63 HG1 THR 965 1HG THR 965 3.215 4.075 -8.592 64 1HG2 THR 965 1HG2 THR 965 5.456 4.282 -6.858 65 2HG2 THR 965 2HG2 THR 965 4.541 4.585 -5.381 66 3HG2 THR 965 3HG2 THR 965 4.089 5.395 -6.880 67 HA PRO 966 HA PRO 966 1.762 -1.493 -6.221 68 1HB PRO 966 2HB PRO 966 -0.250 -1.226 -4.434 69 2HB PRO 966 1HB PRO 966 1.383 -1.706 -3.958 70 1HG PRO 966 1HG PRO 966 0.080 0.987 -3.808 71 2HG PRO 966 2HG PRO 966 1.088 0.164 -2.603 72 1HD PRO 966 2HD PRO 966 2.048 2.093 -4.254 73 2HD PRO 966 1HD PRO 966 3.048 0.753 -3.658 74 HA PRO 967 HA PRO 967 -1.343 -0.079 -9.063 75 1HB PRO 967 2HB PRO 967 -2.805 -2.369 -9.295 76 2HB PRO 967 1HB PRO 967 -1.238 -2.135 -10.077 77 1HG PRO 967 2HG PRO 967 -1.891 -3.571 -7.532 78 2HG PRO 967 1HG PRO 967 -0.794 -4.054 -8.839 79 1HD PRO 967 1HD PRO 967 0.105 -2.966 -6.541 80 2HD PRO 967 2HD PRO 967 0.898 -2.664 -8.101 81 H ASP 968 H ASP 968 -3.417 0.714 -9.057 82 HA ASP 968 HA ASP 968 -4.608 1.270 -6.594 83 1HB ASP 968 1HB ASP 968 -6.533 2.103 -7.944 84 2HB ASP 968 2HB ASP 968 -4.975 2.717 -8.489 85 HA PRO 969 HA PRO 969 -6.533 -2.718 -5.798 86 1HB PRO 969 2HB PRO 969 -7.910 -1.068 -3.743 87 2HB PRO 969 1HB PRO 969 -7.041 -2.595 -3.562 88 1HG PRO 969 1HG PRO 969 -5.956 -0.308 -2.737 89 2HG PRO 969 2HG PRO 969 -4.965 -1.557 -3.514 90 1HD PRO 969 2HD PRO 969 -6.018 1.005 -4.642 91 2HD PRO 969 1HD PRO 969 -4.447 0.218 -4.902 92 H VAL 970 H VAL 970 -8.634 -3.599 -5.958 93 HA VAL 970 HA VAL 970 -10.323 -2.388 -7.833 94 HB VAL 970 HB VAL 970 -10.271 -4.808 -7.509 95 1HG1 VAL 970 1HG1 VAL 970 -9.995 -4.895 -5.103 96 2HG1 VAL 970 2HG1 VAL 970 -11.406 -5.837 -5.584 97 3HG1 VAL 970 3HG1 VAL 970 -11.615 -4.238 -4.870 98 1HG2 VAL 970 1HG2 VAL 970 -12.685 -5.239 -7.591 99 2HG2 VAL 970 2HG2 VAL 970 -12.235 -3.833 -8.556 100 3HG2 VAL 970 3HG2 VAL 970 -12.989 -3.614 -6.977 101 H ASN 971 H ASN 971 -12.000 -1.032 -7.681 102 HA ASN 971 HA ASN 971 -13.417 0.515 -6.798 103 1HB ASN 971 2HB ASN 971 -13.807 -1.651 -4.720 104 2HB ASN 971 1HB ASN 971 -14.877 -0.275 -4.969 105 1HD2 ASN 971 1HD2 ASN 971 -15.420 -3.132 -5.157 106 2HD2 ASN 971 2HD2 ASN 971 -16.025 -3.398 -6.752 107 H GLY 972 H GLY 972 -10.619 0.619 -5.977 108 1HA GLY 972 1HA GLY 972 -10.969 2.380 -3.681 109 2HA GLY 972 2HA GLY 972 -9.893 1.011 -3.449 110 H MET 973 H MET 973 -8.446 2.946 -3.001 111 HA MET 973 HA MET 973 -6.739 3.307 -5.277 112 1HB MET 973 1HB MET 973 -6.791 5.775 -5.256 113 2HB MET 973 2HB MET 973 -8.330 5.079 -5.747 114 1HG MET 973 1HG MET 973 -9.219 5.461 -3.504 115 2HG MET 973 2HG MET 973 -7.678 6.164 -3.016 116 1HE MET 973 1HE MET 973 -6.882 7.760 -5.675 117 2HE MET 973 2HE MET 973 -6.695 8.422 -4.051 118 3HE MET 973 3HE MET 973 -7.520 9.360 -5.297 119 H VAL 974 H VAL 974 -4.658 3.793 -4.694 120 HA VAL 974 HA VAL 974 -4.075 3.695 -1.851 121 HB VAL 974 HB VAL 974 -2.780 2.269 -3.359 122 1HG1 VAL 974 1HG1 VAL 974 -1.789 4.852 -4.558 123 2HG1 VAL 974 2HG1 VAL 974 -2.822 3.662 -5.350 124 3HG1 VAL 974 3HG1 VAL 974 -1.162 3.245 -4.923 125 1HG2 VAL 974 1HG2 VAL 974 -1.122 4.453 -2.105 126 2HG2 VAL 974 2HG2 VAL 974 -0.539 2.854 -2.567 127 3HG2 VAL 974 3HG2 VAL 974 -1.742 3.019 -1.287 128 H HIS 975 H HIS 975 -2.948 5.255 -0.701 129 HA HIS 975 HA HIS 975 -2.750 7.889 -2.010 130 1HB HIS 975 2HB HIS 975 -3.593 7.305 0.837 131 2HB HIS 975 1HB HIS 975 -3.401 8.909 0.137 132 HD1 HIS 975 1HD HIS 975 -5.365 9.861 -1.100 133 HD2 HIS 975 2HD HIS 975 -5.803 5.812 -0.280 134 HE1 HIS 975 1HE HIS 975 -7.732 9.300 -1.733 135 HE2 HIS 975 2HE HIS 975 -8.004 6.868 -1.134 136 H VAL 976 H VAL 976 -0.847 8.896 -1.863 137 HA VAL 976 HA VAL 976 1.255 7.708 -0.227 138 HB VAL 976 HB VAL 976 1.798 8.248 -2.549 139 1HG1 VAL 976 1HG1 VAL 976 1.933 10.572 -3.304 140 2HG1 VAL 976 2HG1 VAL 976 1.246 11.109 -1.770 141 3HG1 VAL 976 3HG1 VAL 976 0.283 10.126 -2.872 142 1HG2 VAL 976 1HG2 VAL 976 3.588 8.310 -0.909 143 2HG2 VAL 976 2HG2 VAL 976 3.236 10.002 -0.561 144 3HG2 VAL 976 3HG2 VAL 976 3.849 9.537 -2.149 145 H ILE 977 H ILE 977 2.049 8.588 1.585 146 HA ILE 977 HA ILE 977 0.568 10.710 2.813 147 HB ILE 977 HB ILE 977 3.039 9.276 3.794 148 1HG1 ILE 977 2HG1 ILE 977 1.159 7.748 3.428 149 2HG1 ILE 977 1HG1 ILE 977 1.469 7.953 5.150 150 1HG2 ILE 977 1HG2 ILE 977 1.065 11.013 5.271 151 2HG2 ILE 977 2HG2 ILE 977 2.742 11.413 4.905 152 3HG2 ILE 977 3HG2 ILE 977 2.374 10.092 6.012 153 1HD1 ILE 977 1HD1 ILE 977 -0.714 9.302 3.581 154 2HD1 ILE 977 2HD1 ILE 977 -0.405 9.505 5.306 155 3HD1 ILE 977 3HD1 ILE 977 -0.910 7.935 4.678 156 H THR 978 H THR 978 3.944 10.321 1.761 157 HA THR 978 HA THR 978 4.126 13.225 1.461 158 HB THR 978 HB THR 978 6.390 13.238 2.503 159 HG1 THR 978 1HG THR 978 7.110 11.216 2.667 160 1HG2 THR 978 1HG2 THR 978 4.441 14.012 3.763 161 2HG2 THR 978 2HG2 THR 978 5.607 13.221 4.825 162 3HG2 THR 978 3HG2 THR 978 4.146 12.367 4.328 163 H ASP 979 H ASP 979 6.223 10.343 1.248 164 HA ASP 979 HA ASP 979 6.631 10.830 -1.591 165 1HB ASP 979 2HB ASP 979 8.911 10.830 0.399 166 2HB ASP 979 1HB ASP 979 9.101 10.791 -1.351 167 H ILE 980 H ILE 980 8.161 9.091 -2.495 168 HA ILE 980 HA ILE 980 7.293 6.529 -1.376 169 HB ILE 980 HB ILE 980 8.708 6.873 -4.008 170 1HG1 ILE 980 1HG1 ILE 980 5.721 7.075 -3.556 171 2HG1 ILE 980 2HG1 ILE 980 6.771 8.448 -3.890 172 1HG2 ILE 980 1HG2 ILE 980 8.454 4.604 -3.174 173 2HG2 ILE 980 2HG2 ILE 980 7.432 4.854 -4.589 174 3HG2 ILE 980 3HG2 ILE 980 6.719 4.852 -2.977 175 1HD1 ILE 980 1HD1 ILE 980 6.289 6.115 -5.726 176 2HD1 ILE 980 2HD1 ILE 980 7.333 7.496 -6.060 177 3HD1 ILE 980 3HD1 ILE 980 5.593 7.727 -5.885 178 H GLN 981 H GLN 981 9.424 8.044 -0.130 179 HA GLN 981 HA GLN 981 11.893 6.704 -0.837 180 1HB GLN 981 2HB GLN 981 11.273 8.622 1.416 181 2HB GLN 981 1HB GLN 981 12.877 8.057 0.969 182 1HG GLN 981 1HG GLN 981 12.660 9.130 -1.207 183 2HG GLN 981 2HG GLN 981 11.040 9.680 -0.777 184 1HE2 GLN 981 1HE2 GLN 981 11.584 11.838 -1.020 185 2HE2 GLN 981 2HE2 GLN 981 12.589 12.673 0.110 186 H VAL 982 H VAL 982 12.985 5.210 0.404 187 HA VAL 982 HA VAL 982 11.502 3.340 1.847 188 HB VAL 982 HB VAL 982 13.617 2.736 0.838 189 1HG1 VAL 982 1HG2 VAL 982 15.754 3.484 1.786 190 2HG1 VAL 982 2HG2 VAL 982 14.884 4.559 2.879 191 3HG1 VAL 982 3HG2 VAL 982 14.813 4.827 1.138 192 1HG2 VAL 982 1HG1 VAL 982 14.631 1.495 2.695 193 2HG2 VAL 982 2HG1 VAL 982 12.871 1.394 2.721 194 3HG2 VAL 982 3HG1 VAL 982 13.709 2.468 3.841 195 H GLY 983 H GLY 983 10.956 3.107 3.940 196 1HA GLY 983 2HA GLY 983 11.331 3.470 6.293 197 2HA GLY 983 1HA GLY 983 12.086 5.004 5.890 198 H SER 984 H SER 984 9.583 4.993 3.888 199 HA SER 984 HA SER 984 7.972 6.639 5.653 200 1HB SER 984 2HB SER 984 7.661 6.009 2.706 201 2HB SER 984 1HB SER 984 6.704 7.188 3.604 202 HG SER 984 HG SER 984 9.503 7.374 3.633 203 H ARG 985 H ARG 985 5.464 6.394 5.119 204 HA ARG 985 HA ARG 985 4.650 3.603 5.047 205 1HB ARG 985 1HB ARG 985 5.164 4.017 7.417 206 2HB ARG 985 2HB ARG 985 4.056 5.382 7.419 207 1HG ARG 985 1HG ARG 985 2.197 3.860 6.926 208 2HG ARG 985 2HG ARG 985 3.317 2.497 6.971 209 1HD ARG 985 1HD ARG 985 3.848 3.003 9.300 210 2HD ARG 985 2HD ARG 985 2.745 4.379 9.258 211 HE ARG 985 HE ARG 985 1.401 1.995 8.526 212 1HH1 ARG 985 1HH1 ARG 985 2.695 3.688 11.283 213 2HH1 ARG 985 2HH1 ARG 985 1.591 2.968 12.406 214 1HH2 ARG 985 1HH2 ARG 985 -0.058 1.044 9.997 215 2HH2 ARG 985 2HH2 ARG 985 0.026 1.465 11.675 216 H ILE 986 H ILE 986 3.525 4.119 3.162 217 HA ILE 986 HA ILE 986 1.561 6.214 3.109 218 HB ILE 986 HB ILE 986 0.912 5.316 0.934 219 1HG1 ILE 986 1HG1 ILE 986 2.900 3.106 1.509 220 2HG1 ILE 986 2HG1 ILE 986 1.149 2.917 1.498 221 1HG2 ILE 986 1HG2 ILE 986 3.062 5.592 -0.221 222 2HG2 ILE 986 2HG2 ILE 986 3.900 5.433 1.323 223 3HG2 ILE 986 3HG2 ILE 986 2.826 6.802 1.039 224 1HD1 ILE 986 1HD1 ILE 986 2.855 3.679 -0.859 225 2HD1 ILE 986 2HD1 ILE 986 1.101 3.495 -0.870 226 3HD1 ILE 986 3HD1 ILE 986 2.132 2.098 -0.559 227 H THR 987 H THR 987 -0.715 5.399 2.174 228 HA THR 987 HA THR 987 -1.687 3.202 3.864 229 HB THR 987 HB THR 987 -3.218 5.788 3.659 230 HG1 THR 987 1HG THR 987 -2.283 5.787 6.023 231 1HG2 THR 987 1HG2 THR 987 -3.313 3.489 5.615 232 2HG2 THR 987 2HG2 THR 987 -4.477 3.804 4.328 233 3HG2 THR 987 3HG2 THR 987 -4.325 4.933 5.676 234 H TYR 988 H TYR 988 -3.925 2.540 3.272 235 HA TYR 988 HA TYR 988 -4.451 2.980 0.406 236 1HB TYR 988 2HB TYR 988 -4.752 0.404 1.966 237 2HB TYR 988 1HB TYR 988 -5.235 0.634 0.288 238 HD1 TYR 988 1HD TYR 988 -3.624 0.603 -1.478 239 HD2 TYR 988 2HD TYR 988 -2.356 0.410 2.577 240 HE1 TYR 988 1HE TYR 988 -1.367 -0.031 -2.220 241 HE2 TYR 988 2HE TYR 988 -0.096 -0.223 1.847 242 HH TYR 988 HH TYR 988 0.987 -1.251 -0.108 243 H SER 989 H SER 989 -6.685 2.707 -0.254 244 HA SER 989 HA SER 989 -8.660 2.891 1.898 245 1HB SER 989 2HB SER 989 -8.002 5.214 1.330 246 2HB SER 989 1HB SER 989 -8.474 4.916 -0.344 247 HG SER 989 HG SER 989 -10.130 5.939 0.878 248 H CYS 990 H CYS 990 -10.939 3.036 0.865 249 HA CYS 990 HA CYS 990 -11.239 1.802 -1.716 250 1HB CYS 990 2HB CYS 990 -10.692 -0.123 -0.209 251 2HB CYS 990 1HB CYS 990 -12.138 0.252 0.721 252 H THR 991 H THR 991 -13.657 1.282 -2.087 253 HA THR 991 HA THR 991 -15.186 3.565 -1.704 254 HB THR 991 HB THR 991 -17.137 2.018 -2.274 255 HG1 THR 991 1HG THR 991 -16.164 -0.030 -3.223 256 1HG2 THR 991 1HG2 THR 991 -15.980 3.336 -3.964 257 2HG2 THR 991 2HG2 THR 991 -16.395 1.746 -4.602 258 3HG2 THR 991 3HG2 THR 991 -14.740 2.090 -4.102 259 H THR 992 H THR 992 -16.919 4.063 -0.351 260 HA THR 992 HA THR 992 -16.597 3.375 2.345 261 HB THR 992 HB THR 992 -19.043 4.582 1.036 262 HG1 THR 992 1HG THR 992 -16.639 5.558 1.141 263 1HG2 THR 992 1HG2 THR 992 -19.490 3.765 3.296 264 2HG2 THR 992 2HG2 THR 992 -19.482 5.529 3.258 265 3HG2 THR 992 3HG2 THR 992 -18.093 4.654 3.903 266 H GLY 993 H GLY 993 -17.103 1.554 3.354 267 1HA GLY 993 2HA GLY 993 -18.969 0.123 4.088 268 2HA GLY 993 1HA GLY 993 -19.453 0.036 2.401 269 H HIS 994 H HIS 994 -16.292 -0.064 2.068 270 HA HIS 994 HA HIS 994 -16.197 -2.999 2.250 271 1HB HIS 994 1HB HIS 994 -14.576 -1.127 0.509 272 2HB HIS 994 2HB HIS 994 -14.469 -2.884 0.502 273 HD1 HIS 994 1HD HIS 994 -17.508 -0.594 0.311 274 HD2 HIS 994 2HD HIS 994 -15.659 -3.665 -1.791 275 HE1 HIS 994 1HE HIS 994 -19.025 -1.087 -1.632 276 HE2 HIS 994 2HE HIS 994 -17.850 -2.898 -2.932 277 H ARG 995 H ARG 995 -14.972 -3.832 3.806 278 HA ARG 995 HA ARG 995 -13.080 -2.177 5.234 279 1HB ARG 995 1HB ARG 995 -14.555 -3.775 6.417 280 2HB ARG 995 2HB ARG 995 -13.749 -5.104 5.596 281 1HG ARG 995 2HG ARG 995 -12.889 -4.891 7.832 282 2HG ARG 995 1HG ARG 995 -11.632 -4.453 6.673 283 1HD ARG 995 1HD ARG 995 -12.116 -2.084 7.045 284 2HD ARG 995 2HD ARG 995 -13.372 -2.521 8.202 285 HE ARG 995 HE ARG 995 -10.973 -3.707 9.016 286 1HH1 ARG 995 1HH1 ARG 995 -12.384 -0.539 8.678 287 2HH1 ARG 995 2HH1 ARG 995 -11.448 0.156 9.959 288 1HH2 ARG 995 1HH2 ARG 995 -9.736 -2.800 10.704 289 2HH2 ARG 995 2HH2 ARG 995 -9.942 -1.128 11.110 290 H LEU 996 H LEU 996 -10.878 -2.366 5.255 291 HA LEU 996 HA LEU 996 -9.664 -3.399 2.897 292 1HB LEU 996 1HB LEU 996 -8.987 -1.377 4.380 293 2HB LEU 996 2HB LEU 996 -8.145 -2.570 5.347 294 HG LEU 996 HG LEU 996 -6.685 -1.396 3.720 295 1HD1 LEU 996 1HD2 LEU 996 -6.068 -3.601 4.534 296 2HD1 LEU 996 2HD2 LEU 996 -5.579 -3.394 2.852 297 3HD1 LEU 996 3HD2 LEU 996 -7.005 -4.355 3.244 298 1HD2 LEU 996 1HD1 LEU 996 -8.362 -2.828 1.666 299 2HD2 LEU 996 2HD1 LEU 996 -6.867 -1.950 1.344 300 3HD2 LEU 996 3HD1 LEU 996 -8.289 -1.085 1.925 301 H ILE 997 H ILE 997 -9.291 -5.487 2.566 302 HA ILE 997 HA ILE 997 -8.949 -7.330 4.767 303 HB ILE 997 HB ILE 997 -8.682 -7.900 1.814 304 1HG1 ILE 997 2HG1 ILE 997 -10.869 -6.881 2.342 305 2HG1 ILE 997 1HG1 ILE 997 -11.030 -8.568 1.860 306 1HG2 ILE 997 1HG2 ILE 997 -7.744 -9.622 3.253 307 2HG2 ILE 997 2HG2 ILE 997 -9.216 -10.202 2.472 308 3HG2 ILE 997 3HG2 ILE 997 -9.252 -9.704 4.164 309 1HD1 ILE 997 1HD1 ILE 997 -12.492 -8.043 3.720 310 2HD1 ILE 997 2HD1 ILE 997 -11.109 -7.519 4.680 311 3HD1 ILE 997 3HD1 ILE 997 -11.262 -9.210 4.204 312 H GLY 998 H GLY 998 -6.986 -6.098 5.483 313 1HA GLY 998 2HA GLY 998 -4.645 -7.552 4.901 314 2HA GLY 998 1HA GLY 998 -4.599 -6.034 4.016 315 H HIS 999 H HIS 999 -3.506 -4.493 5.017 316 HA HIS 999 HA HIS 999 -3.481 -4.475 7.958 317 1HB HIS 999 1HB HIS 999 -1.291 -4.429 5.989 318 2HB HIS 999 2HB HIS 999 -1.148 -3.247 7.282 319 HD1 HIS 999 1HD HIS 999 -0.361 -4.087 9.518 320 HD2 HIS 999 2HD HIS 999 -1.393 -7.164 6.923 321 HE1 HIS 999 1HE HIS 999 0.371 -6.204 10.661 322 HE2 HIS 999 2HE HIS 999 -0.186 -8.045 9.034 323 H SER1000 H SER1000 -4.264 -2.804 5.161 324 HA SER1000 HA SER1000 -4.915 -0.681 4.690 325 1HB SER1000 2HB SER1000 -5.095 -0.441 7.704 326 2HB SER1000 1HB SER1000 -5.796 0.688 6.546 327 HG SER1000 HG SER1000 -6.538 -1.851 5.996 328 H SER1001 H SER1001 -2.076 -1.341 5.140 329 HA SER1001 HA SER1001 -0.995 1.312 5.138 330 1HB SER1001 2HB SER1001 0.417 1.109 7.102 331 2HB SER1001 1HB SER1001 -1.266 0.880 7.578 332 HG SER1001 HG SER1001 0.781 -1.042 7.325 333 H ALA1002 H ALA1002 1.498 1.178 5.074 334 HA ALA1002 HA ALA1002 2.537 -1.344 4.082 335 1HB ALA1002 1HB ALA1002 1.499 -0.322 2.095 336 2HB ALA1002 2HB ALA1002 3.249 -0.478 1.938 337 3HB ALA1002 3HB ALA1002 2.533 1.091 2.303 338 H GLU1003 H GLU1003 4.874 -1.268 3.701 339 HA GLU1003 HA GLU1003 6.269 1.051 4.788 340 1HB GLU1003 2HB GLU1003 5.860 -0.406 6.728 341 2HB GLU1003 1HB GLU1003 6.638 -1.742 5.889 342 1HG GLU1003 2HG GLU1003 8.745 -0.518 5.874 343 2HG GLU1003 1HG GLU1003 7.969 0.835 6.696 344 H CYS1004 H CYS1004 7.687 1.552 3.264 345 HA CYS1004 HA CYS1004 8.551 -0.201 1.238 346 1HB CYS1004 1HB CYS1004 8.510 2.239 0.960 347 2HB CYS1004 2HB CYS1004 9.785 2.403 2.163 348 H ILE1005 H ILE1005 9.580 -2.024 1.870 349 HA ILE1005 HA ILE1005 12.089 -1.684 3.379 350 HB ILE1005 HB ILE1005 11.762 -3.963 4.286 351 1HG1 ILE1005 2HG1 ILE1005 8.969 -3.714 3.146 352 2HG1 ILE1005 1HG1 ILE1005 10.228 -4.762 2.497 353 1HG2 ILE1005 1HG2 ILE1005 10.064 -3.354 5.940 354 2HG2 ILE1005 2HG2 ILE1005 9.539 -2.023 4.909 355 3HG2 ILE1005 3HG2 ILE1005 11.158 -2.010 5.609 356 1HD1 ILE1005 1HD1 ILE1005 10.267 -6.007 4.596 357 2HD1 ILE1005 2HD1 ILE1005 8.665 -6.013 3.860 358 3HD1 ILE1005 3HD1 ILE1005 8.999 -4.962 5.236 359 H LEU1006 H LEU1006 13.881 -2.715 2.624 360 HA LEU1006 HA LEU1006 13.738 -3.760 -0.075 361 1HB LEU1006 1HB LEU1006 16.129 -3.351 1.722 362 2HB LEU1006 2HB LEU1006 16.186 -3.751 0.017 363 HG LEU1006 HG LEU1006 14.892 -1.535 -0.325 364 1HD1 LEU1006 1HD2 LEU1006 16.049 -1.072 2.419 365 2HD1 LEU1006 2HD2 LEU1006 14.334 -1.158 2.018 366 3HD1 LEU1006 3HD2 LEU1006 15.325 0.157 1.383 367 1HD2 LEU1006 1HD1 LEU1006 16.988 -0.277 -0.385 368 2HD2 LEU1006 2HD1 LEU1006 17.195 -1.904 -1.036 369 3HD2 LEU1006 3HD1 LEU1006 17.766 -1.525 0.589 370 H SER1007 H SER1007 13.659 -5.845 -0.580 371 HA SER1007 HA SER1007 14.031 -7.828 1.531 372 1HB SER1007 2HB SER1007 12.977 -9.400 -0.052 373 2HB SER1007 1HB SER1007 11.978 -7.968 0.197 374 HG SER1007 HG SER1007 12.365 -7.323 -1.804 375 H GLY1008 H GLY1008 16.204 -6.350 -0.052 376 1HA GLY1008 2HA GLY1008 18.386 -7.656 0.018 377 2HA GLY1008 1HA GLY1008 17.588 -8.725 -1.126 378 H ASN1009 H ASN1009 17.224 -8.020 -3.251 379 HA ASN1009 HA ASN1009 18.821 -5.670 -4.020 380 1HB ASN1009 2HB ASN1009 18.153 -8.140 -5.636 381 2HB ASN1009 1HB ASN1009 19.088 -6.765 -6.220 382 1HD2 ASN1009 2HD2 ASN1009 21.169 -6.430 -5.441 383 2HD2 ASN1009 1HD2 ASN1009 22.053 -7.672 -4.627 384 H THR1010 H THR1010 15.781 -6.325 -3.399 385 HA THR1010 HA THR1010 14.792 -4.432 -5.379 386 HB THR1010 HB THR1010 13.452 -7.113 -4.968 387 HG1 THR1010 1HG THR1010 14.318 -7.683 -6.856 388 1HG2 THR1010 1HG2 THR1010 11.922 -6.365 -6.731 389 2HG2 THR1010 2HG2 THR1010 12.737 -4.802 -6.777 390 3HG2 THR1010 3HG2 THR1010 11.855 -5.294 -5.332 391 H ALA1011 H ALA1011 13.728 -2.918 -4.298 392 HA ALA1011 HA ALA1011 12.697 -3.493 -1.635 393 1HB ALA1011 1HB ALA1011 12.900 -0.868 -3.106 394 2HB ALA1011 2HB ALA1011 14.084 -1.502 -1.964 395 3HB ALA1011 3HB ALA1011 12.464 -1.080 -1.411 396 H HIS1012 H HIS1012 10.599 -3.640 -1.119 397 HA HIS1012 HA HIS1012 8.564 -2.607 -2.928 398 1HB HIS1012 2HB HIS1012 7.340 -4.753 -2.962 399 2HB HIS1012 1HB HIS1012 8.908 -4.874 -3.752 400 HD1 HIS1012 1HD HIS1012 6.901 -6.288 -1.015 401 HD2 HIS1012 2HD HIS1012 10.872 -6.327 -2.235 402 HE1 HIS1012 1HE HIS1012 7.973 -8.181 0.248 403 HE2 HIS1012 2HE HIS1012 10.354 -8.240 -0.573 404 H TRP1013 H TRP1013 6.310 -3.096 -1.929 405 HA TRP1013 HA TRP1013 6.428 -2.108 0.791 406 1HB TRP1013 2HB TRP1013 4.001 -2.657 -0.932 407 2HB TRP1013 1HB TRP1013 4.045 -1.708 0.552 408 HD1 TRP1013 HD TRP1013 4.550 -1.429 -3.155 409 HE1 TRP1013 1HE TRP1013 5.183 0.990 -3.767 410 HE3 TRP1013 3HE TRP1013 5.415 0.398 1.541 411 HZ2 TRP1013 2HZ TRP1013 5.948 3.357 -2.437 412 HZ3 TRP1013 3HZ TRP1013 6.095 2.750 1.784 413 HH2 TRP1013 HH TRP1013 6.355 4.197 -0.165 414 H SER1014 H SER1014 5.840 -3.178 2.602 415 HA SER1014 HA SER1014 6.144 -5.977 2.541 416 1HB SER1014 2HB SER1014 6.886 -4.636 4.446 417 2HB SER1014 1HB SER1014 5.217 -4.190 4.802 418 HG SER1014 HG SER1014 6.477 -6.221 5.768 419 H THR1015 H THR1015 3.384 -4.023 2.158 420 HA THR1015 HA THR1015 1.537 -6.046 3.150 421 HB THR1015 HB THR1015 1.011 -3.725 3.665 422 HG1 THR1015 1HG THR1015 -1.126 -3.839 3.048 423 1HG2 THR1015 1HG2 THR1015 0.842 -3.337 0.674 424 2HG2 THR1015 2HG2 THR1015 2.067 -2.651 1.741 425 3HG2 THR1015 3HG2 THR1015 0.383 -2.147 1.892 426 H LYS1016 H LYS1016 0.296 -7.343 1.914 427 HA LYS1016 HA LYS1016 0.849 -7.602 -0.888 428 1HB LYS1016 1HB LYS1016 -0.633 -9.475 -0.851 429 2HB LYS1016 2HB LYS1016 0.293 -9.519 0.643 430 1HG LYS1016 1HG LYS1016 -2.462 -8.333 0.476 431 2HG LYS1016 2HG LYS1016 -2.169 -10.037 0.827 432 1HD LYS1016 1HD LYS1016 -0.819 -9.392 2.774 433 2HD LYS1016 2HD LYS1016 -1.149 -7.692 2.429 434 1HE LYS1016 1HE LYS1016 -2.618 -8.529 4.185 435 2HE LYS1016 2HE LYS1016 -3.537 -8.086 2.746 436 1HZ LYS1016 1HZ LYS1016 -4.291 -10.186 3.671 437 2HZ LYS1016 2HZ LYS1016 -2.743 -10.846 3.500 438 3HZ LYS1016 3HZ LYS1016 -3.634 -10.417 2.129 439 HA PRO1017 HA PRO1017 -2.096 -5.030 -2.874 440 1HB PRO1017 2HB PRO1017 -3.538 -6.925 -4.362 441 2HB PRO1017 1HB PRO1017 -2.094 -6.058 -4.891 442 1HG PRO1017 1HG PRO1017 -2.354 -8.804 -3.764 443 2HG PRO1017 2HG PRO1017 -1.240 -8.195 -5.002 444 1HD PRO1017 1HD PRO1017 -0.405 -8.676 -2.508 445 2HD PRO1017 2HD PRO1017 0.208 -7.284 -3.427 446 HA PRO1018 HA PRO1018 -5.285 -5.630 0.289 447 1HB PRO1018 1HB PRO1018 -6.088 -2.955 -0.721 448 2HB PRO1018 2HB PRO1018 -5.774 -3.486 0.934 449 1HG PRO1018 2HG PRO1018 -4.025 -1.947 -0.360 450 2HG PRO1018 1HG PRO1018 -3.477 -3.248 0.713 451 1HD PRO1018 2HD PRO1018 -3.595 -3.177 -2.276 452 2HD PRO1018 1HD PRO1018 -2.357 -3.875 -1.211 453 H ILE1019 H ILE1019 -7.477 -6.068 0.263 454 HA ILE1019 HA ILE1019 -8.821 -5.902 -2.358 455 HB ILE1019 HB ILE1019 -9.383 -8.077 -0.356 456 1HG1 ILE1019 1HG1 ILE1019 -7.002 -8.222 -0.959 457 2HG1 ILE1019 2HG1 ILE1019 -7.918 -9.564 -1.638 458 1HG2 ILE1019 1HG2 ILE1019 -9.877 -7.840 -3.321 459 2HG2 ILE1019 2HG2 ILE1019 -11.083 -7.684 -2.043 460 3HG2 ILE1019 3HG2 ILE1019 -10.289 -9.234 -2.321 461 1HD1 ILE1019 1HD1 ILE1019 -7.034 -7.107 -3.133 462 2HD1 ILE1019 2HD1 ILE1019 -7.937 -8.462 -3.809 463 3HD1 ILE1019 3HD1 ILE1019 -6.292 -8.704 -3.222 464 H CYS1020 H CYS1020 -11.228 -5.972 -2.178 465 HA CYS1020 HA CYS1020 -12.176 -4.748 0.329 466 1HB CYS1020 1HB CYS1020 -13.073 -4.065 -2.480 467 2HB CYS1020 2HB CYS1020 -13.731 -3.378 -0.999 468 H GLN1021 H GLN1021 -13.634 -5.976 1.316 469 HA GLN1021 HA GLN1021 -14.628 -8.306 -0.066 470 1HB GLN1021 2HB GLN1021 -15.309 -9.095 2.110 471 2HB GLN1021 1HB GLN1021 -13.685 -8.432 2.226 472 1HG GLN1021 2HG GLN1021 -14.565 -6.386 3.192 473 2HG GLN1021 1HG GLN1021 -16.208 -7.007 3.037 474 1HE2 GLN1021 2HE2 GLN1021 -14.767 -6.166 5.417 475 2HE2 GLN1021 1HE2 GLN1021 -14.753 -7.526 6.482 476 H ARG1022 H ARG1022 -15.803 -5.207 0.664 477 HA ARG1022 HA ARG1022 -17.824 -4.190 0.467 478 1HB ARG1022 1HB ARG1022 -17.908 -5.292 -1.722 479 2HB ARG1022 2HB ARG1022 -18.597 -6.730 -0.980 480 1HG ARG1022 1HG ARG1022 -20.581 -5.471 -0.346 481 2HG ARG1022 2HG ARG1022 -19.889 -4.010 -1.057 482 1HD ARG1022 1HD ARG1022 -21.490 -5.048 -2.572 483 2HD ARG1022 2HD ARG1022 -19.863 -5.079 -3.248 484 HE ARG1022 HE ARG1022 -20.382 -7.482 -1.859 485 1HH1 ARG1022 1HH1 ARG1022 -21.207 -5.795 -4.794 486 2HH1 ARG1022 2HH1 ARG1022 -21.522 -7.244 -5.690 487 1HH2 ARG1022 1HH2 ARG1022 -20.796 -9.393 -3.030 488 2HH2 ARG1022 2HH2 ARG1022 -21.291 -9.288 -4.687 489 H ILE1023 H ILE1023 -18.954 -3.869 2.247 490 HA ILE1023 HA ILE1023 -20.067 -6.207 3.655 491 HB ILE1023 HB ILE1023 -19.258 -3.555 4.856 492 1HG1 ILE1023 2HG1 ILE1023 -17.895 -6.252 5.050 493 2HG1 ILE1023 1HG1 ILE1023 -17.331 -4.907 4.062 494 1HG2 ILE1023 1HG2 ILE1023 -20.172 -6.126 6.140 495 2HG2 ILE1023 2HG2 ILE1023 -21.076 -4.613 6.063 496 3HG2 ILE1023 3HG2 ILE1023 -19.587 -4.704 7.003 497 1HD1 ILE1023 1HD1 ILE1023 -17.569 -4.914 7.061 498 2HD1 ILE1023 2HD1 ILE1023 -17.006 -3.567 6.072 499 3HD1 ILE1023 3HD1 ILE1023 -16.079 -5.067 6.131 500 HA PRO1024 HA PRO1024 -24.087 -4.554 2.643 501 1HB PRO1024 2HB PRO1024 -24.876 -6.117 5.046 502 2HB PRO1024 1HB PRO1024 -25.537 -6.160 3.408 503 1HG PRO1024 2HG PRO1024 -23.972 -8.125 4.297 504 2HG PRO1024 1HG PRO1024 -23.850 -7.549 2.624 505 1HD PRO1024 2HD PRO1024 -22.060 -7.002 4.956 506 2HD PRO1024 1HD PRO1024 -21.643 -7.270 3.251 Start of MODEL 2 1 1H GLU 957 1HT GLU 957 27.093 0.142 -7.092 2 2H GLU 957 2HT GLU 957 27.513 1.718 -6.650 3 3H GLU 957 3HT GLU 957 26.003 1.410 -7.346 4 HA GLU 957 HA GLU 957 26.945 0.459 -4.705 5 1HB GLU 957 1HB GLU 957 24.989 2.592 -5.554 6 2HB GLU 957 2HB GLU 957 24.956 1.884 -3.945 7 1HG GLU 957 2HG GLU 957 26.161 3.945 -3.865 8 2HG GLU 957 1HG GLU 957 27.290 2.616 -3.614 9 H ALA 958 H ALA 958 25.672 -1.006 -3.656 10 HA ALA 958 HA ALA 958 23.718 -2.404 -5.312 11 1HB ALA 958 1HB ALA 958 23.889 -4.198 -3.679 12 2HB ALA 958 2HB ALA 958 24.901 -3.186 -2.649 13 3HB ALA 958 3HB ALA 958 25.492 -3.705 -4.228 14 H GLU 959 H GLU 959 23.248 0.216 -3.860 15 HA GLU 959 HA GLU 959 21.109 -0.570 -2.022 16 1HB GLU 959 2HB GLU 959 22.716 1.138 -1.262 17 2HB GLU 959 1HB GLU 959 22.259 2.164 -2.614 18 1HG GLU 959 2HG GLU 959 19.985 2.313 -1.736 19 2HG GLU 959 1HG GLU 959 20.445 1.285 -0.380 20 H ALA 960 H ALA 960 18.981 -0.163 -2.394 21 HA ALA 960 HA ALA 960 18.195 1.386 -4.736 22 1HB ALA 960 1HB ALA 960 17.353 -1.487 -4.368 23 2HB ALA 960 2HB ALA 960 18.480 -0.891 -5.587 24 3HB ALA 960 3HB ALA 960 16.788 -0.391 -5.629 25 H LYS 961 H LYS 961 17.131 2.869 -3.488 26 HA LYS 961 HA LYS 961 15.057 1.904 -1.651 27 1HB LYS 961 1HB LYS 961 15.102 4.040 -0.624 28 2HB LYS 961 2HB LYS 961 16.782 3.606 -0.904 29 1HG LYS 961 2HG LYS 961 16.792 5.015 -2.919 30 2HG LYS 961 1HG LYS 961 15.123 5.480 -2.577 31 1HD LYS 961 2HD LYS 961 17.451 5.948 -0.716 32 2HD LYS 961 1HD LYS 961 16.788 7.156 -1.818 33 1HE LYS 961 2HE LYS 961 14.623 6.995 -0.690 34 2HE LYS 961 1HE LYS 961 15.285 5.789 0.412 35 1HZ LYS 961 1HZ LYS 961 16.219 8.599 0.163 36 2HZ LYS 961 2HZ LYS 961 16.848 7.441 1.224 37 3HZ LYS 961 3HZ LYS 961 15.257 7.985 1.413 38 H SER 962 H SER 962 13.401 4.119 -1.644 39 HA SER 962 HA SER 962 11.612 5.062 -2.678 40 1HB SER 962 1HB SER 962 13.307 6.216 -4.018 41 2HB SER 962 2HB SER 962 13.371 4.853 -5.134 42 HG SER 962 HG SER 962 11.995 6.701 -5.740 43 H CYS 963 H CYS 963 10.387 3.164 -2.236 44 HA CYS 963 HA CYS 963 10.171 0.959 -3.958 45 1HB CYS 963 2HB CYS 963 8.181 2.144 -2.015 46 2HB CYS 963 1HB CYS 963 7.950 0.603 -2.835 47 H LYS 964 H LYS 964 8.254 0.373 -5.261 48 HA LYS 964 HA LYS 964 7.458 2.434 -7.077 49 1HB LYS 964 2HB LYS 964 6.654 -0.445 -6.710 50 2HB LYS 964 1HB LYS 964 5.849 0.591 -7.881 51 1HG LYS 964 2HG LYS 964 7.524 -0.663 -9.018 52 2HG LYS 964 1HG LYS 964 8.059 1.016 -8.936 53 1HD LYS 964 2HD LYS 964 9.493 0.464 -7.029 54 2HD LYS 964 1HD LYS 964 8.962 -1.216 -7.118 55 1HE LYS 964 1HE LYS 964 9.905 -1.402 -9.362 56 2HE LYS 964 2HE LYS 964 10.421 0.283 -9.290 57 1HZ LYS 964 1HZ LYS 964 12.236 -1.231 -8.782 58 2HZ LYS 964 2HZ LYS 964 11.363 -1.881 -7.488 59 3HZ LYS 964 3HZ LYS 964 11.867 -0.268 -7.441 60 H THR 965 H THR 965 4.791 2.012 -7.543 61 HA THR 965 HA THR 965 3.549 2.908 -5.026 62 HB THR 965 HB THR 965 1.980 4.217 -6.304 63 HG1 THR 965 1HG THR 965 2.914 2.669 -8.368 64 1HG2 THR 965 1HG2 THR 965 3.490 5.859 -7.326 65 2HG2 THR 965 2HG2 THR 965 4.798 4.677 -7.289 66 3HG2 THR 965 3HG2 THR 965 4.116 5.282 -5.781 67 HA PRO 966 HA PRO 966 1.119 -0.774 -5.162 68 1HB PRO 966 2HB PRO 966 -0.878 0.761 -3.618 69 2HB PRO 966 1HB PRO 966 -0.011 -0.713 -3.182 70 1HG PRO 966 1HG PRO 966 0.578 1.636 -2.042 71 2HG PRO 966 2HG PRO 966 1.838 0.441 -2.411 72 1HD PRO 966 1HD PRO 966 1.103 2.941 -3.887 73 2HD PRO 966 2HD PRO 966 2.709 2.264 -3.543 74 HA PRO 967 HA PRO 967 -1.826 -0.123 -8.416 75 1HB PRO 967 2HB PRO 967 -3.332 -2.375 -8.096 76 2HB PRO 967 1HB PRO 967 -1.735 -2.372 -8.851 77 1HG PRO 967 2HG PRO 967 -2.508 -3.083 -6.046 78 2HG PRO 967 1HG PRO 967 -1.375 -3.903 -7.137 79 1HD PRO 967 1HD PRO 967 -0.533 -2.262 -5.170 80 2HD PRO 967 2HD PRO 967 0.318 -2.383 -6.724 81 H ASP 968 H ASP 968 -3.722 0.924 -8.610 82 HA ASP 968 HA ASP 968 -5.059 1.915 -6.368 83 1HB ASP 968 1HB ASP 968 -5.087 3.039 -8.547 84 2HB ASP 968 2HB ASP 968 -6.048 1.727 -9.222 85 HA PRO 969 HA PRO 969 -7.382 -1.784 -5.262 86 1HB PRO 969 1HB PRO 969 -8.731 0.213 -3.520 87 2HB PRO 969 2HB PRO 969 -8.021 -1.349 -3.100 88 1HG PRO 969 2HG PRO 969 -6.784 0.920 -2.462 89 2HG PRO 969 1HG PRO 969 -5.865 -0.493 -3.014 90 1HD PRO 969 2HD PRO 969 -6.601 1.994 -4.504 91 2HD PRO 969 1HD PRO 969 -5.096 1.053 -4.553 92 H VAL 970 H VAL 970 -9.353 -2.575 -5.852 93 HA VAL 970 HA VAL 970 -10.934 -1.165 -7.708 94 HB VAL 970 HB VAL 970 -10.839 -3.607 -7.687 95 1HG1 VAL 970 1HG1 VAL 970 -12.050 -4.899 -5.990 96 2HG1 VAL 970 2HG1 VAL 970 -12.377 -3.411 -5.101 97 3HG1 VAL 970 3HG1 VAL 970 -10.718 -3.978 -5.288 98 1HG2 VAL 970 1HG2 VAL 970 -13.227 -4.067 -7.988 99 2HG2 VAL 970 2HG2 VAL 970 -12.758 -2.538 -8.730 100 3HG2 VAL 970 3HG2 VAL 970 -13.616 -2.543 -7.190 101 H ASN 971 H ASN 971 -12.802 -0.022 -7.521 102 HA ASN 971 HA ASN 971 -14.238 1.445 -6.547 103 1HB ASN 971 1HB ASN 971 -14.502 -0.836 -4.578 104 2HB ASN 971 2HB ASN 971 -15.599 0.537 -4.676 105 1HD2 ASN 971 2HD2 ASN 971 -17.341 -0.810 -5.129 106 2HD2 ASN 971 1HD2 ASN 971 -17.544 -1.550 -6.676 107 H GLY 972 H GLY 972 -11.354 1.373 -5.661 108 1HA GLY 972 1HA GLY 972 -11.717 3.166 -3.375 109 2HA GLY 972 2HA GLY 972 -10.654 1.784 -3.158 110 H MET 973 H MET 973 -9.041 3.452 -2.696 111 HA MET 973 HA MET 973 -7.424 3.984 -4.986 112 1HB MET 973 1HB MET 973 -7.391 6.443 -4.778 113 2HB MET 973 2HB MET 973 -8.968 5.839 -5.265 114 1HG MET 973 2HG MET 973 -9.773 6.080 -2.975 115 2HG MET 973 1HG MET 973 -8.191 6.682 -2.482 116 1HE MET 973 1HE MET 973 -10.926 8.207 -1.915 117 2HE MET 973 2HE MET 973 -10.489 9.868 -2.315 118 3HE MET 973 3HE MET 973 -9.360 8.849 -1.422 119 H VAL 974 H VAL 974 -5.313 4.577 -4.444 120 HA VAL 974 HA VAL 974 -4.650 4.231 -1.618 121 HB VAL 974 HB VAL 974 -3.449 2.828 -3.231 122 1HG1 VAL 974 1HG1 VAL 974 -3.482 4.332 -5.145 123 2HG1 VAL 974 2HG1 VAL 974 -1.834 3.816 -4.784 124 3HG1 VAL 974 3HG1 VAL 974 -2.376 5.428 -4.318 125 1HG2 VAL 974 1HG2 VAL 974 -1.169 3.297 -2.463 126 2HG2 VAL 974 2HG2 VAL 974 -2.341 3.425 -1.151 127 3HG2 VAL 974 3HG2 VAL 974 -1.691 4.884 -1.899 128 H HIS 975 H HIS 975 -3.494 5.724 -0.426 129 HA HIS 975 HA HIS 975 -3.480 8.436 -1.562 130 1HB HIS 975 2HB HIS 975 -3.650 7.518 1.315 131 2HB HIS 975 1HB HIS 975 -3.553 9.202 0.809 132 HD1 HIS 975 1HD HIS 975 -5.688 10.321 0.070 133 HD2 HIS 975 2HD HIS 975 -6.114 6.224 0.616 134 HE1 HIS 975 1HE HIS 975 -8.158 9.877 -0.078 135 HE2 HIS 975 2HE HIS 975 -8.399 7.408 0.356 136 H VAL 976 H VAL 976 -1.523 9.009 -2.245 137 HA VAL 976 HA VAL 976 0.888 8.181 -0.864 138 HB VAL 976 HB VAL 976 0.611 10.214 -3.083 139 1HG1 VAL 976 1HG1 VAL 976 2.980 8.617 -2.116 140 2HG1 VAL 976 2HG1 VAL 976 2.716 10.342 -1.861 141 3HG1 VAL 976 3HG1 VAL 976 2.974 9.720 -3.492 142 1HG2 VAL 976 1HG2 VAL 976 1.225 8.389 -4.609 143 2HG2 VAL 976 2HG2 VAL 976 -0.322 8.097 -3.814 144 3HG2 VAL 976 3HG2 VAL 976 1.125 7.248 -3.267 145 H ILE 977 H ILE 977 0.892 9.073 1.159 146 HA ILE 977 HA ILE 977 -0.177 11.564 1.835 147 HB ILE 977 HB ILE 977 1.979 10.046 3.306 148 1HG1 ILE 977 1HG1 ILE 977 -1.010 9.937 3.736 149 2HG1 ILE 977 2HG1 ILE 977 -0.133 8.764 2.759 150 1HG2 ILE 977 1HG2 ILE 977 1.133 11.214 5.287 151 2HG2 ILE 977 2HG2 ILE 977 0.006 12.114 4.271 152 3HG2 ILE 977 3HG2 ILE 977 1.744 12.343 4.080 153 1HD1 ILE 977 1HD1 ILE 977 1.178 8.113 4.696 154 2HD1 ILE 977 2HD1 ILE 977 -0.550 7.932 5.001 155 3HD1 ILE 977 3HD1 ILE 977 0.326 9.302 5.681 156 H THR 978 H THR 978 3.301 10.769 2.007 157 HA THR 978 HA THR 978 3.846 13.591 1.365 158 HB THR 978 HB THR 978 4.675 13.353 3.508 159 HG1 THR 978 1HG THR 978 7.087 12.792 3.070 160 1HG2 THR 978 1HG2 THR 978 5.695 10.609 2.774 161 2HG2 THR 978 2HG2 THR 978 4.278 10.961 3.762 162 3HG2 THR 978 3HG2 THR 978 5.887 11.388 4.344 163 H ASP 979 H ASP 979 6.296 11.102 1.506 164 HA ASP 979 HA ASP 979 6.590 11.265 -1.420 165 1HB ASP 979 1HB ASP 979 8.771 11.113 0.671 166 2HB ASP 979 2HB ASP 979 9.041 10.989 -1.064 167 H ILE 980 H ILE 980 8.272 9.383 -2.052 168 HA ILE 980 HA ILE 980 7.197 6.912 -0.857 169 HB ILE 980 HB ILE 980 8.038 7.223 -3.738 170 1HG1 ILE 980 1HG1 ILE 980 5.226 7.220 -2.616 171 2HG1 ILE 980 2HG1 ILE 980 6.072 8.658 -3.182 172 1HG2 ILE 980 1HG2 ILE 980 6.479 5.078 -2.300 173 2HG2 ILE 980 2HG2 ILE 980 8.143 4.952 -2.869 174 3HG2 ILE 980 3HG2 ILE 980 6.825 5.111 -4.028 175 1HD1 ILE 980 1HD1 ILE 980 5.363 6.267 -4.864 176 2HD1 ILE 980 2HD1 ILE 980 6.181 7.725 -5.423 177 3HD1 ILE 980 3HD1 ILE 980 4.516 7.813 -4.847 178 H GLN 981 H GLN 981 9.230 7.465 0.488 179 HA GLN 981 HA GLN 981 11.537 6.119 -0.760 180 1HB GLN 981 2HB GLN 981 11.574 8.249 1.387 181 2HB GLN 981 1HB GLN 981 12.987 7.420 0.750 182 1HG GLN 981 2HG GLN 981 12.549 8.368 -1.459 183 2HG GLN 981 1HG GLN 981 11.134 9.202 -0.817 184 1HE2 GLN 981 1HE2 GLN 981 11.946 11.222 -1.335 185 2HE2 GLN 981 2HE2 GLN 981 13.249 11.948 -0.464 186 H VAL 982 H VAL 982 13.082 5.364 1.162 187 HA VAL 982 HA VAL 982 11.701 3.276 2.475 188 HB VAL 982 HB VAL 982 14.038 3.022 1.863 189 1HG1 VAL 982 1HG2 VAL 982 14.769 5.323 2.172 190 2HG1 VAL 982 2HG2 VAL 982 15.812 4.213 3.061 191 3HG1 VAL 982 3HG2 VAL 982 14.594 5.158 3.920 192 1HG2 VAL 982 1HG1 VAL 982 14.904 2.100 3.963 193 2HG2 VAL 982 2HG1 VAL 982 13.211 1.679 3.714 194 3HG2 VAL 982 3HG1 VAL 982 13.644 2.955 4.853 195 H GLY 983 H GLY 983 10.916 3.077 4.507 196 1HA GLY 983 2HA GLY 983 10.767 3.603 6.810 197 2HA GLY 983 1HA GLY 983 11.517 5.157 6.479 198 H SER 984 H SER 984 9.669 5.610 4.181 199 HA SER 984 HA SER 984 7.680 7.035 5.612 200 1HB SER 984 1HB SER 984 8.524 7.801 3.436 201 2HB SER 984 2HB SER 984 7.821 6.383 2.659 202 HG SER 984 HG SER 984 6.589 8.479 2.688 203 H ARG 985 H ARG 985 5.360 6.794 5.390 204 HA ARG 985 HA ARG 985 4.449 4.064 4.851 205 1HB ARG 985 1HB ARG 985 4.934 4.199 7.255 206 2HB ARG 985 2HB ARG 985 3.876 5.597 7.393 207 1HG ARG 985 1HG ARG 985 1.967 4.219 6.743 208 2HG ARG 985 2HG ARG 985 3.031 2.815 6.612 209 1HD ARG 985 1HD ARG 985 1.946 2.715 8.735 210 2HD ARG 985 2HD ARG 985 3.636 3.140 9.004 211 HE ARG 985 HE ARG 985 2.083 5.483 8.812 212 1HH1 ARG 985 1HH1 ARG 985 2.708 2.808 10.956 213 2HH1 ARG 985 2HH1 ARG 985 2.326 3.701 12.389 214 1HH2 ARG 985 1HH2 ARG 985 1.577 6.666 10.695 215 2HH2 ARG 985 2HH2 ARG 985 1.681 5.893 12.242 216 H ILE 986 H ILE 986 2.979 4.343 3.295 217 HA ILE 986 HA ILE 986 1.190 6.647 3.353 218 HB ILE 986 HB ILE 986 0.388 5.857 1.174 219 1HG1 ILE 986 1HG1 ILE 986 2.433 3.647 1.484 220 2HG1 ILE 986 2HG1 ILE 986 0.691 3.428 1.622 221 1HG2 ILE 986 1HG2 ILE 986 2.468 6.206 -0.086 222 2HG2 ILE 986 2HG2 ILE 986 3.393 5.979 1.398 223 3HG2 ILE 986 3HG2 ILE 986 2.296 7.352 1.244 224 1HD1 ILE 986 1HD1 ILE 986 1.506 2.733 -0.556 225 2HD1 ILE 986 2HD1 ILE 986 2.160 4.346 -0.838 226 3HD1 ILE 986 3HD1 ILE 986 0.417 4.113 -0.699 227 H THR 987 H THR 987 -1.166 6.074 2.662 228 HA THR 987 HA THR 987 -2.094 3.799 4.286 229 HB THR 987 HB THR 987 -3.994 5.166 5.063 230 HG1 THR 987 1HG THR 987 -4.349 6.998 4.082 231 1HG2 THR 987 1HG2 THR 987 -1.294 6.380 5.670 232 2HG2 THR 987 2HG2 THR 987 -2.004 4.980 6.472 233 3HG2 THR 987 3HG2 THR 987 -2.751 6.568 6.647 234 H TYR 988 H TYR 988 -3.879 2.699 3.550 235 HA TYR 988 HA TYR 988 -4.682 3.308 0.798 236 1HB TYR 988 2HB TYR 988 -5.059 0.786 2.425 237 2HB TYR 988 1HB TYR 988 -5.515 0.989 0.737 238 HD1 TYR 988 1HD TYR 988 -2.758 0.461 3.064 239 HD2 TYR 988 2HD TYR 988 -3.800 1.125 -1.008 240 HE1 TYR 988 1HE TYR 988 -0.514 -0.271 2.375 241 HE2 TYR 988 2HE TYR 988 -1.559 0.396 -1.706 242 HH TYR 988 HH TYR 988 0.594 -1.188 0.382 243 H SER 989 H SER 989 -7.007 2.679 0.269 244 HA SER 989 HA SER 989 -8.944 2.859 2.374 245 1HB SER 989 1HB SER 989 -10.000 4.946 1.652 246 2HB SER 989 2HB SER 989 -8.329 5.241 2.138 247 HG SER 989 HG SER 989 -9.478 5.270 -0.418 248 H CYS 990 H CYS 990 -11.188 2.813 1.508 249 HA CYS 990 HA CYS 990 -11.465 2.093 -1.292 250 1HB CYS 990 2HB CYS 990 -10.893 -0.022 -0.017 251 2HB CYS 990 1HB CYS 990 -12.421 0.172 0.835 252 H THR 991 H THR 991 -13.858 1.590 -1.761 253 HA THR 991 HA THR 991 -15.473 3.731 -1.047 254 HB THR 991 HB THR 991 -16.076 2.515 -2.988 255 HG1 THR 991 1HG THR 991 -18.225 2.352 -2.628 256 1HG2 THR 991 1HG2 THR 991 -16.827 0.154 -2.901 257 2HG2 THR 991 2HG2 THR 991 -16.353 0.097 -1.203 258 3HG2 THR 991 3HG2 THR 991 -15.134 0.355 -2.452 259 H THR 992 H THR 992 -17.054 4.069 0.469 260 HA THR 992 HA THR 992 -16.637 3.034 3.008 261 HB THR 992 HB THR 992 -17.725 5.154 2.783 262 HG1 THR 992 1HG THR 992 -18.424 4.243 4.646 263 1HG2 THR 992 1HG2 THR 992 -19.998 5.384 1.883 264 2HG2 THR 992 2HG2 THR 992 -19.998 3.673 1.456 265 3HG2 THR 992 3HG2 THR 992 -18.876 4.779 0.664 266 H GLY 993 H GLY 993 -17.208 1.217 3.994 267 1HA GLY 993 2HA GLY 993 -19.103 -0.296 4.530 268 2HA GLY 993 1HA GLY 993 -19.388 -0.383 2.798 269 H HIS 994 H HIS 994 -17.238 -1.020 1.577 270 HA HIS 994 HA HIS 994 -16.788 -3.703 2.152 271 1HB HIS 994 1HB HIS 994 -15.054 -1.816 0.540 272 2HB HIS 994 2HB HIS 994 -14.968 -3.575 0.487 273 HD1 HIS 994 1HD HIS 994 -18.408 -2.387 0.695 274 HD2 HIS 994 2HD HIS 994 -15.642 -3.124 -2.318 275 HE1 HIS 994 1HE HIS 994 -19.746 -2.513 -1.430 276 HE2 HIS 994 2HE HIS 994 -18.041 -2.862 -3.251 277 H ARG 995 H ARG 995 -15.290 -4.819 3.287 278 HA ARG 995 HA ARG 995 -13.721 -3.332 5.215 279 1HB ARG 995 1HB ARG 995 -14.119 -6.299 4.801 280 2HB ARG 995 2HB ARG 995 -13.168 -5.603 6.106 281 1HG ARG 995 1HG ARG 995 -16.105 -5.112 5.651 282 2HG ARG 995 2HG ARG 995 -15.426 -6.248 6.818 283 1HD ARG 995 2HD ARG 995 -15.004 -3.262 6.791 284 2HD ARG 995 1HD ARG 995 -16.053 -4.152 7.895 285 HE ARG 995 HE ARG 995 -13.501 -5.230 8.127 286 1HH1 ARG 995 1HH1 ARG 995 -15.109 -2.197 8.722 287 2HH1 ARG 995 2HH1 ARG 995 -14.053 -1.744 10.018 288 1HH2 ARG 995 1HH2 ARG 995 -12.107 -4.643 9.833 289 2HH2 ARG 995 2HH2 ARG 995 -12.347 -3.134 10.649 290 H LEU 996 H LEU 996 -11.534 -3.161 5.303 291 HA LEU 996 HA LEU 996 -10.078 -3.655 2.873 292 1HB LEU 996 1HB LEU 996 -9.832 -1.669 4.498 293 2HB LEU 996 2HB LEU 996 -8.878 -2.760 5.483 294 HG LEU 996 HG LEU 996 -7.544 -1.239 4.016 295 1HD1 LEU 996 1HD2 LEU 996 -7.223 -4.189 3.496 296 2HD1 LEU 996 2HD2 LEU 996 -6.584 -3.300 4.878 297 3HD1 LEU 996 3HD2 LEU 996 -5.984 -2.956 3.256 298 1HD2 LEU 996 1HD1 LEU 996 -7.391 -1.761 1.632 299 2HD2 LEU 996 2HD1 LEU 996 -9.005 -1.210 2.077 300 3HD2 LEU 996 3HD1 LEU 996 -8.703 -2.926 1.804 301 H ILE 997 H ILE 997 -9.066 -5.476 2.379 302 HA ILE 997 HA ILE 997 -8.534 -7.463 4.435 303 HB ILE 997 HB ILE 997 -8.051 -7.632 1.457 304 1HG1 ILE 997 2HG1 ILE 997 -10.432 -7.273 2.044 305 2HG1 ILE 997 1HG1 ILE 997 -10.147 -8.861 1.337 306 1HG2 ILE 997 1HG2 ILE 997 -8.143 -9.778 3.576 307 2HG2 ILE 997 2HG2 ILE 997 -6.704 -9.206 2.732 308 3HG2 ILE 997 3HG2 ILE 997 -7.970 -10.052 1.842 309 1HD1 ILE 997 1HD1 ILE 997 -10.496 -8.266 4.266 310 2HD1 ILE 997 2HD1 ILE 997 -10.208 -9.858 3.564 311 3HD1 ILE 997 3HD1 ILE 997 -11.697 -8.989 3.196 312 H GLY 998 H GLY 998 -6.880 -6.267 5.531 313 1HA GLY 998 2HA GLY 998 -4.292 -7.019 5.064 314 2HA GLY 998 1HA GLY 998 -4.466 -5.519 4.166 315 H HIS 999 H HIS 999 -3.974 -3.719 5.220 316 HA HIS 999 HA HIS 999 -4.531 -3.464 8.055 317 1HB HIS 999 2HB HIS 999 -2.214 -4.494 7.787 318 2HB HIS 999 1HB HIS 999 -1.723 -2.965 7.066 319 HD1 HIS 999 1HD HIS 999 -0.123 -2.315 8.942 320 HD2 HIS 999 2HD HIS 999 -3.999 -3.044 10.247 321 HE1 HIS 999 1HE HIS 999 -0.191 -1.509 11.323 322 HE2 HIS 999 2HE HIS 999 -2.571 -1.882 12.065 323 H SER1000 H SER1000 -4.887 -2.256 5.165 324 HA SER1000 HA SER1000 -5.153 -0.208 4.204 325 1HB SER1000 1HB SER1000 -6.288 1.448 5.605 326 2HB SER1000 2HB SER1000 -6.932 -0.164 5.912 327 HG SER1000 HG SER1000 -4.985 1.165 7.494 328 H SER1001 H SER1001 -2.454 -0.837 5.168 329 HA SER1001 HA SER1001 -1.300 1.751 4.800 330 1HB SER1001 1HB SER1001 -1.791 1.938 7.187 331 2HB SER1001 2HB SER1001 -0.949 0.419 7.496 332 HG SER1001 HG SER1001 0.872 1.456 7.470 333 H ALA1002 H ALA1002 1.080 1.661 4.723 334 HA ALA1002 HA ALA1002 2.330 -0.941 4.654 335 1HB ALA1002 1HB ALA1002 1.224 -0.887 2.474 336 2HB ALA1002 2HB ALA1002 2.978 -0.849 2.306 337 3HB ALA1002 3HB ALA1002 2.040 0.629 2.096 338 H GLU1003 H GLU1003 4.645 -0.815 4.231 339 HA GLU1003 HA GLU1003 5.777 1.880 4.510 340 1HB GLU1003 2HB GLU1003 5.642 0.897 6.756 341 2HB GLU1003 1HB GLU1003 6.536 -0.511 6.199 342 1HG GLU1003 2HG GLU1003 8.478 0.894 5.746 343 2HG GLU1003 1HG GLU1003 7.581 2.310 6.294 344 H CYS1004 H CYS1004 7.459 2.244 3.207 345 HA CYS1004 HA CYS1004 8.280 0.277 1.331 346 1HB CYS1004 1HB CYS1004 8.226 2.667 0.779 347 2HB CYS1004 2HB CYS1004 9.492 2.976 1.963 348 H ILE1005 H ILE1005 9.404 -1.441 2.029 349 HA ILE1005 HA ILE1005 11.906 -0.930 3.486 350 HB ILE1005 HB ILE1005 11.551 -2.997 4.803 351 1HG1 ILE1005 2HG1 ILE1005 8.721 -2.848 3.738 352 2HG1 ILE1005 1HG1 ILE1005 9.917 -4.044 3.246 353 1HG2 ILE1005 1HG2 ILE1005 9.433 -0.877 5.140 354 2HG2 ILE1005 2HG2 ILE1005 11.073 -0.829 5.787 355 3HG2 ILE1005 3HG2 ILE1005 9.928 -2.036 6.374 356 1HD1 ILE1005 1HD1 ILE1005 8.837 -3.701 6.033 357 2HD1 ILE1005 2HD1 ILE1005 9.995 -4.923 5.506 358 3HD1 ILE1005 3HD1 ILE1005 8.346 -4.941 4.879 359 H LEU1006 H LEU1006 13.578 -2.440 3.125 360 HA LEU1006 HA LEU1006 13.395 -3.824 0.575 361 1HB LEU1006 2HB LEU1006 15.669 -3.228 2.453 362 2HB LEU1006 1HB LEU1006 15.860 -4.280 1.065 363 HG LEU1006 HG LEU1006 14.884 -1.441 0.816 364 1HD1 LEU1006 1HD2 LEU1006 17.712 -2.465 0.614 365 2HD1 LEU1006 2HD2 LEU1006 17.078 -1.392 1.862 366 3HD1 LEU1006 3HD2 LEU1006 17.172 -0.841 0.188 367 1HD2 LEU1006 1HD1 LEU1006 14.395 -2.922 -1.060 368 2HD2 LEU1006 2HD1 LEU1006 16.100 -3.362 -1.164 369 3HD2 LEU1006 3HD1 LEU1006 15.594 -1.706 -1.501 370 H SER1007 H SER1007 12.286 -5.697 0.801 371 HA SER1007 HA SER1007 13.092 -7.538 2.943 372 1HB SER1007 2HB SER1007 10.640 -7.574 1.164 373 2HB SER1007 1HB SER1007 10.993 -8.746 2.435 374 HG SER1007 HG SER1007 10.660 -5.953 2.819 375 H GLY1008 H GLY1008 14.290 -6.925 0.137 376 1HA GLY1008 1HA GLY1008 15.318 -9.502 -0.341 377 2HA GLY1008 2HA GLY1008 14.016 -9.196 -1.481 378 H ASN1009 H ASN1009 14.950 -8.802 -3.382 379 HA ASN1009 HA ASN1009 17.424 -7.267 -3.501 380 1HB ASN1009 1HB ASN1009 17.206 -9.353 -4.820 381 2HB ASN1009 2HB ASN1009 15.878 -8.627 -5.721 382 1HD2 ASN1009 1HD2 ASN1009 18.713 -6.868 -4.683 383 2HD2 ASN1009 2HD2 ASN1009 19.371 -6.619 -6.260 384 H THR1010 H THR1010 14.160 -6.645 -3.560 385 HA THR1010 HA THR1010 14.611 -4.039 -4.818 386 HB THR1010 HB THR1010 12.231 -5.785 -5.482 387 HG1 THR1010 1HG THR1010 14.293 -4.937 -7.245 388 1HG2 THR1010 1HG2 THR1010 11.697 -4.026 -7.106 389 2HG2 THR1010 2HG2 THR1010 13.068 -3.077 -6.530 390 3HG2 THR1010 3HG2 THR1010 11.703 -3.397 -5.459 391 H ALA1011 H ALA1011 13.475 -2.373 -3.913 392 HA ALA1011 HA ALA1011 12.353 -2.825 -1.319 393 1HB ALA1011 1HB ALA1011 12.467 -0.287 -2.943 394 2HB ALA1011 2HB ALA1011 13.704 -0.842 -1.815 395 3HB ALA1011 3HB ALA1011 12.101 -0.407 -1.222 396 H HIS1012 H HIS1012 10.353 -3.528 -1.009 397 HA HIS1012 HA HIS1012 8.196 -2.333 -2.614 398 1HB HIS1012 1HB HIS1012 8.410 -5.216 -1.721 399 2HB HIS1012 2HB HIS1012 6.964 -4.497 -2.424 400 HD1 HIS1012 1HD HIS1012 6.919 -4.157 -4.951 401 HD2 HIS1012 2HD HIS1012 10.540 -5.633 -3.543 402 HE1 HIS1012 1HE HIS1012 8.195 -4.871 -6.997 403 HE2 HIS1012 2HE HIS1012 10.351 -5.833 -6.115 404 H TRP1013 H TRP1013 6.004 -2.759 -1.463 405 HA TRP1013 HA TRP1013 6.278 -1.648 1.188 406 1HB TRP1013 2HB TRP1013 3.763 -2.354 -0.337 407 2HB TRP1013 1HB TRP1013 3.864 -1.346 1.103 408 HD1 TRP1013 HD TRP1013 4.293 -1.238 -2.653 409 HE1 TRP1013 1HE TRP1013 4.715 1.191 -3.388 410 HE3 TRP1013 3HE TRP1013 4.973 0.899 1.943 411 HZ2 TRP1013 2HZ TRP1013 5.264 3.684 -2.185 412 HZ3 TRP1013 3HZ TRP1013 5.442 3.311 2.063 413 HH2 TRP1013 HH TRP1013 5.585 4.673 0.040 414 H SER1014 H SER1014 5.559 -2.558 3.106 415 HA SER1014 HA SER1014 6.113 -5.252 3.456 416 1HB SER1014 1HB SER1014 6.203 -3.638 5.292 417 2HB SER1014 2HB SER1014 4.451 -3.443 5.226 418 HG SER1014 HG SER1014 5.122 -4.915 6.861 419 H THR1015 H THR1015 2.885 -3.816 3.946 420 HA THR1015 HA THR1015 1.565 -6.297 4.013 421 HB THR1015 HB THR1015 -0.521 -5.022 3.857 422 HG1 THR1015 1HG THR1015 0.900 -3.347 2.443 423 1HG2 THR1015 1HG2 THR1015 1.547 -3.656 5.585 424 2HG2 THR1015 2HG2 THR1015 0.642 -5.108 6.011 425 3HG2 THR1015 3HG2 THR1015 -0.201 -3.572 5.805 426 H LYS1016 H LYS1016 0.526 -7.492 2.502 427 HA LYS1016 HA LYS1016 1.168 -7.239 -0.231 428 1HB LYS1016 2HB LYS1016 -0.279 -9.101 -0.598 429 2HB LYS1016 1HB LYS1016 0.508 -9.360 0.952 430 1HG LYS1016 1HG LYS1016 -2.252 -8.200 0.669 431 2HG LYS1016 2HG LYS1016 -1.929 -9.921 0.877 432 1HD LYS1016 1HD LYS1016 -1.062 -7.762 2.797 433 2HD LYS1016 2HD LYS1016 -2.498 -8.768 2.995 434 1HE LYS1016 1HE LYS1016 0.349 -9.755 2.860 435 2HE LYS1016 2HE LYS1016 -0.628 -9.615 4.321 436 1HZ LYS1016 1HZ LYS1016 -0.608 -11.879 3.496 437 2HZ LYS1016 2HZ LYS1016 -1.222 -11.374 2.003 438 3HZ LYS1016 3HZ LYS1016 -2.169 -11.234 3.397 439 HA PRO1017 HA PRO1017 -1.650 -4.409 -2.094 440 1HB PRO1017 2HB PRO1017 -2.633 -6.715 -3.721 441 2HB PRO1017 1HB PRO1017 -2.118 -5.108 -4.245 442 1HG PRO1017 1HG PRO1017 -0.515 -7.210 -4.551 443 2HG PRO1017 2HG PRO1017 0.138 -5.633 -4.072 444 1HD PRO1017 2HD PRO1017 -0.291 -8.083 -2.436 445 2HD PRO1017 1HD PRO1017 0.966 -6.838 -2.299 446 HA PRO1018 HA PRO1018 -5.081 -5.482 0.675 447 1HB PRO1018 1HB PRO1018 -5.872 -2.712 -0.046 448 2HB PRO1018 2HB PRO1018 -5.685 -3.451 1.547 449 1HG PRO1018 2HG PRO1018 -3.878 -1.723 0.625 450 2HG PRO1018 1HG PRO1018 -3.387 -3.142 1.567 451 1HD PRO1018 2HD PRO1018 -3.248 -2.683 -1.387 452 2HD PRO1018 1HD PRO1018 -2.083 -3.489 -0.314 453 H ILE1019 H ILE1019 -7.253 -5.944 0.391 454 HA ILE1019 HA ILE1019 -8.357 -5.452 -2.300 455 HB ILE1019 HB ILE1019 -9.105 -7.820 -0.599 456 1HG1 ILE1019 1HG1 ILE1019 -6.691 -7.953 -1.020 457 2HG1 ILE1019 2HG1 ILE1019 -7.557 -9.179 -1.941 458 1HG2 ILE1019 1HG2 ILE1019 -9.359 -7.260 -3.551 459 2HG2 ILE1019 2HG2 ILE1019 -10.663 -7.216 -2.364 460 3HG2 ILE1019 3HG2 ILE1019 -9.864 -8.743 -2.740 461 1HD1 ILE1019 1HD1 ILE1019 -6.504 -6.575 -3.020 462 2HD1 ILE1019 2HD1 ILE1019 -7.381 -7.796 -3.944 463 3HD1 ILE1019 3HD1 ILE1019 -5.797 -8.173 -3.265 464 H CYS1020 H CYS1020 -10.777 -5.500 -2.344 465 HA CYS1020 HA CYS1020 -11.825 -4.180 0.068 466 1HB CYS1020 1HB CYS1020 -12.617 -3.906 -2.834 467 2HB CYS1020 2HB CYS1020 -13.532 -3.201 -1.505 468 H GLN1021 H GLN1021 -12.544 -5.983 1.171 469 HA GLN1021 HA GLN1021 -14.145 -8.023 0.036 470 1HB GLN1021 1HB GLN1021 -12.920 -8.324 2.140 471 2HB GLN1021 2HB GLN1021 -13.932 -7.111 2.912 472 1HG GLN1021 1HG GLN1021 -14.642 -9.334 3.535 473 2HG GLN1021 2HG GLN1021 -15.891 -8.532 2.583 474 1HE2 GLN1021 1HE2 GLN1021 -16.834 -10.466 1.970 475 2HE2 GLN1021 2HE2 GLN1021 -16.100 -11.533 0.827 476 H ARG1022 H ARG1022 -15.914 -7.342 -1.057 477 HA ARG1022 HA ARG1022 -17.609 -5.236 -0.395 478 1HB ARG1022 2HB ARG1022 -18.277 -7.786 -1.876 479 2HB ARG1022 1HB ARG1022 -19.259 -6.329 -1.875 480 1HG ARG1022 2HG ARG1022 -17.397 -5.102 -2.919 481 2HG ARG1022 1HG ARG1022 -16.468 -6.602 -2.974 482 1HD ARG1022 2HD ARG1022 -19.113 -6.101 -4.336 483 2HD ARG1022 1HD ARG1022 -17.534 -6.138 -5.122 484 HE ARG1022 HE ARG1022 -17.836 -8.559 -3.805 485 1HH1 ARG1022 1HH1 ARG1022 -19.395 -6.810 -6.385 486 2HH1 ARG1022 2HH1 ARG1022 -19.913 -8.241 -7.214 487 1HH2 ARG1022 1HH2 ARG1022 -18.515 -10.446 -4.890 488 2HH2 ARG1022 2HH2 ARG1022 -19.413 -10.307 -6.364 489 H ILE1023 H ILE1023 -19.459 -5.044 0.795 490 HA ILE1023 HA ILE1023 -19.929 -7.222 2.713 491 HB ILE1023 HB ILE1023 -20.654 -4.316 3.076 492 1HG1 ILE1023 1HG1 ILE1023 -18.226 -4.531 2.867 493 2HG1 ILE1023 2HG1 ILE1023 -18.670 -4.174 4.534 494 1HG2 ILE1023 1HG2 ILE1023 -21.949 -5.873 4.429 495 2HG2 ILE1023 2HG2 ILE1023 -20.851 -4.929 5.435 496 3HG2 ILE1023 3HG2 ILE1023 -20.461 -6.601 5.034 497 1HD1 ILE1023 1HD1 ILE1023 -17.938 -6.881 3.449 498 2HD1 ILE1023 2HD1 ILE1023 -18.375 -6.519 5.119 499 3HD1 ILE1023 3HD1 ILE1023 -16.907 -5.834 4.423 500 HA PRO1024 HA PRO1024 -24.386 -5.505 1.515 501 1HB PRO1024 2HB PRO1024 -23.725 -4.447 -1.180 502 2HB PRO1024 1HB PRO1024 -24.846 -3.819 0.032 503 1HG PRO1024 2HG PRO1024 -22.509 -2.620 -0.410 504 2HG PRO1024 1HG PRO1024 -23.164 -2.763 1.231 505 1HD PRO1024 2HD PRO1024 -20.994 -4.343 -0.091 506 2HD PRO1024 1HD PRO1024 -21.099 -3.748 1.579 Start of MODEL 3 1 1H GLU 957 1HT GLU 957 23.250 2.205 -0.281 2 2H GLU 957 2HT GLU 957 24.888 1.788 -0.218 3 3H GLU 957 3HT GLU 957 24.359 2.974 -1.302 4 HA GLU 957 HA GLU 957 24.276 3.175 1.651 5 1HB GLU 957 2HB GLU 957 26.559 3.291 0.736 6 2HB GLU 957 1HB GLU 957 26.054 4.565 -0.365 7 1HG GLU 957 2HG GLU 957 27.244 5.488 1.526 8 2HG GLU 957 1HG GLU 957 25.562 6.017 1.535 9 H ALA 958 H ALA 958 22.951 4.681 2.425 10 HA ALA 958 HA ALA 958 21.373 6.316 2.520 11 1HB ALA 958 1HB ALA 958 21.828 8.377 1.305 12 2HB ALA 958 2HB ALA 958 23.003 7.535 0.294 13 3HB ALA 958 3HB ALA 958 23.306 7.733 2.019 14 H GLU 959 H GLU 959 19.674 4.965 1.829 15 HA GLU 959 HA GLU 959 19.027 4.797 -0.982 16 1HB GLU 959 1HB GLU 959 17.615 3.800 1.496 17 2HB GLU 959 2HB GLU 959 17.004 3.555 -0.134 18 1HG GLU 959 2HG GLU 959 18.133 1.574 0.579 19 2HG GLU 959 1HG GLU 959 19.085 2.344 -0.690 20 H ALA 960 H ALA 960 18.156 6.494 -1.965 21 HA ALA 960 HA ALA 960 16.575 8.429 -0.504 22 1HB ALA 960 1HB ALA 960 17.307 8.335 -3.428 23 2HB ALA 960 2HB ALA 960 18.204 9.181 -2.167 24 3HB ALA 960 3HB ALA 960 16.570 9.698 -2.585 25 H LYS 961 H LYS 961 16.010 6.695 -3.573 26 HA LYS 961 HA LYS 961 13.245 6.207 -2.711 27 1HB LYS 961 2HB LYS 961 13.257 8.173 -4.203 28 2HB LYS 961 1HB LYS 961 14.054 7.217 -5.445 29 1HG LYS 961 2HG LYS 961 12.107 5.745 -5.566 30 2HG LYS 961 1HG LYS 961 11.307 6.707 -4.320 31 1HD LYS 961 2HD LYS 961 11.378 8.665 -5.780 32 2HD LYS 961 1HD LYS 961 12.197 7.716 -7.022 33 1HE LYS 961 2HE LYS 961 9.819 7.921 -7.509 34 2HE LYS 961 1HE LYS 961 10.256 6.244 -7.185 35 1HZ LYS 961 1HZ LYS 961 9.395 6.485 -4.943 36 2HZ LYS 961 2HZ LYS 961 8.198 6.853 -6.080 37 3HZ LYS 961 3HZ LYS 961 8.982 8.098 -5.247 38 H SER 962 H SER 962 12.338 4.288 -3.429 39 HA SER 962 HA SER 962 13.835 2.566 -5.214 40 1HB SER 962 1HB SER 962 14.065 0.752 -3.545 41 2HB SER 962 2HB SER 962 14.997 2.184 -3.104 42 HG SER 962 HG SER 962 12.401 1.617 -2.116 43 H CYS 963 H CYS 963 11.062 3.091 -3.117 44 HA CYS 963 HA CYS 963 9.709 0.749 -4.188 45 1HB CYS 963 2HB CYS 963 9.021 2.697 -1.992 46 2HB CYS 963 1HB CYS 963 7.901 1.455 -2.543 47 H LYS 964 H LYS 964 8.200 0.782 -5.703 48 HA LYS 964 HA LYS 964 6.533 3.080 -6.171 49 1HB LYS 964 1HB LYS 964 8.567 3.665 -7.454 50 2HB LYS 964 2HB LYS 964 8.420 2.160 -8.350 51 1HG LYS 964 1HG LYS 964 7.579 3.965 -9.686 52 2HG LYS 964 2HG LYS 964 6.236 2.924 -9.211 53 1HD LYS 964 1HD LYS 964 5.650 4.491 -7.426 54 2HD LYS 964 2HD LYS 964 6.998 5.531 -7.896 55 1HE LYS 964 1HE LYS 964 4.623 4.818 -9.613 56 2HE LYS 964 2HE LYS 964 4.884 6.358 -8.795 57 1HZ LYS 964 1HZ LYS 964 6.865 6.695 -10.135 58 2HZ LYS 964 2HZ LYS 964 5.511 6.477 -11.123 59 3HZ LYS 964 3HZ LYS 964 6.619 5.216 -10.918 60 H THR 965 H THR 965 5.109 1.315 -5.472 61 HA THR 965 HA THR 965 4.754 -0.791 -7.494 62 HB THR 965 HB THR 965 4.570 -1.057 -4.493 63 HG1 THR 965 1HG THR 965 6.505 -1.648 -6.412 64 1HG2 THR 965 1HG2 THR 965 2.880 -2.442 -5.599 65 2HG2 THR 965 2HG2 THR 965 4.160 -3.440 -4.908 66 3HG2 THR 965 3HG2 THR 965 4.122 -3.132 -6.644 67 HA PRO 966 HA PRO 966 0.557 -0.465 -4.997 68 1HB PRO 966 2HB PRO 966 0.671 2.453 -4.378 69 2HB PRO 966 1HB PRO 966 -0.020 1.127 -3.434 70 1HG PRO 966 1HG PRO 966 2.317 2.193 -2.749 71 2HG PRO 966 2HG PRO 966 2.053 0.441 -2.639 72 1HD PRO 966 2HD PRO 966 3.592 2.004 -4.662 73 2HD PRO 966 1HD PRO 966 3.920 0.394 -3.992 74 HA PRO 967 HA PRO 967 -0.932 1.433 -8.860 75 1HB PRO 967 1HB PRO 967 -2.395 -0.634 -9.690 76 2HB PRO 967 2HB PRO 967 -0.632 -0.659 -9.829 77 1HG PRO 967 2HG PRO 967 -2.398 -1.988 -7.814 78 2HG PRO 967 1HG PRO 967 -0.944 -2.611 -8.612 79 1HD PRO 967 2HD PRO 967 -1.024 -1.513 -6.061 80 2HD PRO 967 1HD PRO 967 0.435 -1.677 -7.057 81 H ASP 968 H ASP 968 -3.480 0.932 -9.676 82 HA ASP 968 HA ASP 968 -5.090 2.186 -7.645 83 1HB ASP 968 1HB ASP 968 -6.886 2.090 -9.368 84 2HB ASP 968 2HB ASP 968 -5.412 2.863 -9.945 85 HA PRO 969 HA PRO 969 -6.257 -1.815 -5.961 86 1HB PRO 969 2HB PRO 969 -7.821 -0.829 -3.963 87 2HB PRO 969 1HB PRO 969 -6.057 -0.886 -3.872 88 1HG PRO 969 2HG PRO 969 -7.847 1.410 -4.579 89 2HG PRO 969 1HG PRO 969 -6.412 1.389 -3.536 90 1HD PRO 969 1HD PRO 969 -6.329 2.282 -6.083 91 2HD PRO 969 2HD PRO 969 -4.954 1.450 -5.326 92 H VAL 970 H VAL 970 -8.120 -3.092 -5.922 93 HA VAL 970 HA VAL 970 -10.081 -2.524 -7.847 94 HB VAL 970 HB VAL 970 -9.514 -4.814 -7.236 95 1HG1 VAL 970 1HG1 VAL 970 -10.830 -4.186 -4.597 96 2HG1 VAL 970 2HG1 VAL 970 -9.119 -4.522 -4.862 97 3HG1 VAL 970 3HG1 VAL 970 -10.318 -5.789 -5.124 98 1HG2 VAL 970 1HG2 VAL 970 -11.781 -5.738 -7.094 99 2HG2 VAL 970 2HG2 VAL 970 -11.685 -4.409 -8.250 100 3HG2 VAL 970 3HG2 VAL 970 -12.396 -4.143 -6.659 101 H ASN 971 H ASN 971 -11.979 -1.500 -7.767 102 HA ASN 971 HA ASN 971 -13.539 -0.027 -6.992 103 1HB ASN 971 2HB ASN 971 -13.730 -2.150 -4.843 104 2HB ASN 971 1HB ASN 971 -14.957 -0.933 -5.186 105 1HD2 ASN 971 1HD2 ASN 971 -16.519 -2.422 -5.690 106 2HD2 ASN 971 2HD2 ASN 971 -16.484 -3.369 -7.134 107 H GLY 972 H GLY 972 -11.543 1.362 -6.500 108 1HA GLY 972 2HA GLY 972 -11.946 2.957 -4.335 109 2HA GLY 972 1HA GLY 972 -10.877 1.707 -3.718 110 H MET 973 H MET 973 -9.377 3.466 -3.338 111 HA MET 973 HA MET 973 -7.604 3.827 -5.598 112 1HB MET 973 2HB MET 973 -7.502 6.279 -5.357 113 2HB MET 973 1HB MET 973 -9.089 5.731 -5.877 114 1HG MET 973 2HG MET 973 -9.933 5.978 -3.608 115 2HG MET 973 1HG MET 973 -8.339 6.497 -3.065 116 1HE MET 973 1HE MET 973 -10.961 8.905 -6.003 117 2HE MET 973 2HE MET 973 -11.458 7.377 -5.274 118 3HE MET 973 3HE MET 973 -10.141 7.408 -6.447 119 H VAL 974 H VAL 974 -5.495 4.078 -4.997 120 HA VAL 974 HA VAL 974 -4.864 3.728 -2.196 121 HB VAL 974 HB VAL 974 -3.603 2.470 -3.873 122 1HG1 VAL 974 1HG1 VAL 974 -3.673 4.074 -5.699 123 2HG1 VAL 974 2HG1 VAL 974 -2.009 3.603 -5.352 124 3HG1 VAL 974 3HG1 VAL 974 -2.617 5.164 -4.802 125 1HG2 VAL 974 1HG2 VAL 974 -1.912 4.498 -2.416 126 2HG2 VAL 974 2HG2 VAL 974 -1.343 2.959 -3.065 127 3HG2 VAL 974 3HG2 VAL 974 -2.522 2.983 -1.753 128 H HIS 975 H HIS 975 -3.808 5.171 -0.873 129 HA HIS 975 HA HIS 975 -3.684 7.936 -1.888 130 1HB HIS 975 1HB HIS 975 -4.424 6.967 0.880 131 2HB HIS 975 2HB HIS 975 -4.253 8.657 0.417 132 HD1 HIS 975 1HD HIS 975 -6.198 9.746 -0.789 133 HD2 HIS 975 2HD HIS 975 -6.703 5.661 -0.230 134 HE1 HIS 975 1HE HIS 975 -8.589 9.275 -1.405 135 HE2 HIS 975 2HE HIS 975 -8.895 6.810 -0.980 136 H VAL 976 H VAL 976 -1.561 8.250 -2.271 137 HA VAL 976 HA VAL 976 0.464 7.459 -0.370 138 HB VAL 976 HB VAL 976 1.101 7.479 -2.689 139 1HG1 VAL 976 1HG1 VAL 976 0.394 10.411 -2.697 140 2HG1 VAL 976 2HG1 VAL 976 -0.496 9.124 -3.511 141 3HG1 VAL 976 3HG1 VAL 976 1.142 9.527 -4.027 142 1HG2 VAL 976 1HG2 VAL 976 2.403 9.765 -1.216 143 2HG2 VAL 976 2HG2 VAL 976 3.076 8.934 -2.619 144 3HG2 VAL 976 3HG2 VAL 976 2.844 8.062 -1.103 145 H ILE 977 H ILE 977 0.707 8.507 1.480 146 HA ILE 977 HA ILE 977 -0.656 10.853 2.119 147 HB ILE 977 HB ILE 977 1.754 9.702 3.527 148 1HG1 ILE 977 2HG1 ILE 977 -1.173 9.241 4.120 149 2HG1 ILE 977 1HG1 ILE 977 -0.197 8.138 3.154 150 1HG2 ILE 977 1HG2 ILE 977 -0.409 11.561 4.510 151 2HG2 ILE 977 2HG2 ILE 977 1.281 11.978 4.230 152 3HG2 ILE 977 3HG2 ILE 977 0.854 10.841 5.508 153 1HD1 ILE 977 1HD1 ILE 977 0.311 8.879 6.023 154 2HD1 ILE 977 2HD1 ILE 977 1.272 7.763 5.052 155 3HD1 ILE 977 3HD1 ILE 977 -0.402 7.372 5.446 156 H THR 978 H THR 978 2.706 10.373 1.129 157 HA THR 978 HA THR 978 2.891 13.147 0.350 158 HB THR 978 HB THR 978 4.846 12.115 2.414 159 HG1 THR 978 1HG THR 978 3.769 13.805 3.712 160 1HG2 THR 978 1HG2 THR 978 4.460 14.864 1.219 161 2HG2 THR 978 2HG2 THR 978 5.777 13.753 0.841 162 3HG2 THR 978 3HG2 THR 978 5.633 14.430 2.463 163 H ASP 979 H ASP 979 4.794 10.202 0.977 164 HA ASP 979 HA ASP 979 5.760 10.274 -1.766 165 1HB ASP 979 1HB ASP 979 7.591 10.257 0.641 166 2HB ASP 979 2HB ASP 979 8.113 9.872 -0.996 167 H ILE 980 H ILE 980 7.618 8.259 -1.608 168 HA ILE 980 HA ILE 980 6.329 5.980 -0.330 169 HB ILE 980 HB ILE 980 6.585 4.768 -2.632 170 1HG1 ILE 980 2HG1 ILE 980 6.087 7.616 -3.526 171 2HG1 ILE 980 1HG1 ILE 980 7.616 6.763 -3.726 172 1HG2 ILE 980 1HG2 ILE 980 4.309 6.658 -2.045 173 2HG2 ILE 980 2HG2 ILE 980 4.489 5.013 -1.431 174 3HG2 ILE 980 3HG2 ILE 980 4.243 5.289 -3.155 175 1HD1 ILE 980 1HD1 ILE 980 6.299 6.773 -5.776 176 2HD1 ILE 980 2HD1 ILE 980 4.990 5.939 -4.938 177 3HD1 ILE 980 3HD1 ILE 980 6.544 5.136 -5.167 178 H GLN 981 H GLN 981 8.828 7.305 0.088 179 HA GLN 981 HA GLN 981 10.822 5.514 -1.073 180 1HB GLN 981 1HB GLN 981 12.467 7.050 -0.045 181 2HB GLN 981 2HB GLN 981 11.356 7.874 -1.131 182 1HG GLN 981 1HG GLN 981 10.059 8.651 0.789 183 2HG GLN 981 2HG GLN 981 11.182 7.832 1.875 184 1HE2 GLN 981 1HE2 GLN 981 10.489 10.662 1.673 185 2HE2 GLN 981 2HE2 GLN 981 11.975 11.497 1.395 186 H VAL 982 H VAL 982 12.722 5.170 0.680 187 HA VAL 982 HA VAL 982 11.781 3.216 2.455 188 HB VAL 982 HB VAL 982 14.408 4.698 2.633 189 1HG1 VAL 982 1HG1 VAL 982 13.901 3.402 4.627 190 2HG1 VAL 982 2HG1 VAL 982 15.212 2.651 3.718 191 3HG1 VAL 982 3HG1 VAL 982 13.585 1.976 3.638 192 1HG2 VAL 982 1HG2 VAL 982 15.319 2.879 1.264 193 2HG2 VAL 982 2HG2 VAL 982 14.084 3.795 0.399 194 3HG2 VAL 982 3HG2 VAL 982 13.695 2.214 1.077 195 H GLY 983 H GLY 983 11.251 3.219 4.585 196 1HA GLY 983 2HA GLY 983 10.980 4.034 6.747 197 2HA GLY 983 1HA GLY 983 11.762 5.528 6.253 198 H SER 984 H SER 984 9.683 5.336 3.900 199 HA SER 984 HA SER 984 7.716 6.986 5.272 200 1HB SER 984 2HB SER 984 8.087 6.389 2.327 201 2HB SER 984 1HB SER 984 6.924 7.535 2.993 202 HG SER 984 HG SER 984 9.631 7.785 3.676 203 H ARG 985 H ARG 985 5.469 6.631 5.154 204 HA ARG 985 HA ARG 985 4.660 3.901 4.417 205 1HB ARG 985 2HB ARG 985 4.934 3.998 6.845 206 2HB ARG 985 1HB ARG 985 3.871 5.397 6.925 207 1HG ARG 985 1HG ARG 985 2.008 4.041 6.133 208 2HG ARG 985 2HG ARG 985 3.071 2.636 6.022 209 1HD ARG 985 1HD ARG 985 2.407 4.161 8.538 210 2HD ARG 985 2HD ARG 985 1.745 2.593 8.074 211 HE ARG 985 HE ARG 985 4.543 2.419 8.101 212 1HH1 ARG 985 1HH1 ARG 985 1.870 2.804 10.303 213 2HH1 ARG 985 2HH1 ARG 985 2.686 2.045 11.629 214 1HH2 ARG 985 1HH2 ARG 985 5.624 1.418 9.839 215 2HH2 ARG 985 2HH2 ARG 985 4.820 1.258 11.365 216 H ILE 986 H ILE 986 2.837 3.763 3.251 217 HA ILE 986 HA ILE 986 1.299 6.232 2.823 218 HB ILE 986 HB ILE 986 0.560 5.328 0.738 219 1HG1 ILE 986 2HG1 ILE 986 1.993 2.770 1.491 220 2HG1 ILE 986 1HG1 ILE 986 0.247 2.996 1.507 221 1HG2 ILE 986 1HG2 ILE 986 3.503 4.818 1.148 222 2HG2 ILE 986 2HG2 ILE 986 2.745 6.332 0.655 223 3HG2 ILE 986 3HG2 ILE 986 2.716 4.937 -0.425 224 1HD1 ILE 986 1HD1 ILE 986 2.019 3.150 -0.918 225 2HD1 ILE 986 2HD1 ILE 986 0.269 3.373 -0.899 226 3HD1 ILE 986 3HD1 ILE 986 0.964 1.806 -0.480 227 H THR 987 H THR 987 -1.079 5.472 1.993 228 HA THR 987 HA THR 987 -2.150 3.525 3.909 229 HB THR 987 HB THR 987 -4.042 5.053 4.432 230 HG1 THR 987 1HG THR 987 -2.415 7.099 3.306 231 1HG2 THR 987 1HG2 THR 987 -2.802 6.488 5.993 232 2HG2 THR 987 2HG2 THR 987 -1.303 6.110 5.144 233 3HG2 THR 987 3HG2 THR 987 -2.180 4.838 5.995 234 H TYR 988 H TYR 988 -3.809 2.316 3.154 235 HA TYR 988 HA TYR 988 -4.710 2.856 0.410 236 1HB TYR 988 2HB TYR 988 -4.860 0.292 2.011 237 2HB TYR 988 1HB TYR 988 -5.338 0.487 0.327 238 HD1 TYR 988 1HD TYR 988 -3.638 0.794 -1.419 239 HD2 TYR 988 2HD TYR 988 -2.546 0.104 2.635 240 HE1 TYR 988 1HE TYR 988 -1.354 0.237 -2.137 241 HE2 TYR 988 2HE TYR 988 -0.256 -0.454 1.928 242 HH TYR 988 HH TYR 988 0.908 -1.245 -0.086 243 H SER 989 H SER 989 -6.923 2.696 -0.131 244 HA SER 989 HA SER 989 -8.891 2.391 1.965 245 1HB SER 989 2HB SER 989 -8.563 5.045 0.543 246 2HB SER 989 1HB SER 989 -9.910 4.617 1.597 247 HG SER 989 HG SER 989 -7.304 5.297 2.232 248 H CYS 990 H CYS 990 -10.809 1.685 1.188 249 HA CYS 990 HA CYS 990 -11.004 0.994 -1.581 250 1HB CYS 990 2HB CYS 990 -12.992 0.787 0.688 251 2HB CYS 990 1HB CYS 990 -13.278 0.159 -0.932 252 H THR 991 H THR 991 -13.442 1.393 -2.476 253 HA THR 991 HA THR 991 -13.419 4.185 -3.120 254 HB THR 991 HB THR 991 -13.960 2.588 -4.861 255 HG1 THR 991 1HG THR 991 -16.464 3.750 -4.526 256 1HG2 THR 991 1HG2 THR 991 -14.985 0.847 -3.491 257 2HG2 THR 991 2HG2 THR 991 -16.056 1.306 -4.814 258 3HG2 THR 991 3HG2 THR 991 -16.372 1.892 -3.181 259 H THR 992 H THR 992 -14.855 2.374 -0.678 260 HA THR 992 HA THR 992 -16.655 4.602 -0.036 261 HB THR 992 HB THR 992 -17.394 1.677 0.156 262 HG1 THR 992 1HG THR 992 -17.932 2.131 -1.861 263 1HG2 THR 992 1HG2 THR 992 -19.590 2.503 0.908 264 2HG2 THR 992 2HG2 THR 992 -18.954 4.148 0.925 265 3HG2 THR 992 3HG2 THR 992 -18.304 2.938 2.033 266 H GLY 993 H GLY 993 -14.929 1.730 1.090 267 1HA GLY 993 1HA GLY 993 -13.522 2.397 3.142 268 2HA GLY 993 2HA GLY 993 -15.091 2.747 3.849 269 H HIS 994 H HIS 994 -14.602 0.080 1.656 270 HA HIS 994 HA HIS 994 -15.746 -1.785 3.437 271 1HB HIS 994 1HB HIS 994 -14.054 -2.365 0.997 272 2HB HIS 994 2HB HIS 994 -15.205 -3.457 1.761 273 HD1 HIS 994 1HD HIS 994 -17.784 -2.417 1.766 274 HD2 HIS 994 2HD HIS 994 -15.112 -1.018 -1.092 275 HE1 HIS 994 1HE HIS 994 -19.204 -1.391 -0.037 276 HE2 HIS 994 2HE HIS 994 -17.570 -0.637 -1.800 277 H ARG 995 H ARG 995 -14.681 -3.827 4.133 278 HA ARG 995 HA ARG 995 -12.490 -3.287 5.806 279 1HB ARG 995 1HB ARG 995 -14.119 -5.041 6.299 280 2HB ARG 995 2HB ARG 995 -13.596 -5.947 4.886 281 1HG ARG 995 1HG ARG 995 -11.372 -6.207 5.891 282 2HG ARG 995 2HG ARG 995 -11.932 -5.338 7.321 283 1HD ARG 995 1HD ARG 995 -13.620 -7.058 7.713 284 2HD ARG 995 2HD ARG 995 -13.078 -7.924 6.275 285 HE ARG 995 HE ARG 995 -10.917 -7.526 8.053 286 1HH1 ARG 995 1HH1 ARG 995 -13.814 -9.421 7.653 287 2HH1 ARG 995 2HH1 ARG 995 -13.219 -10.761 8.575 288 1HH2 ARG 995 1HH2 ARG 995 -10.126 -9.286 9.268 289 2HH2 ARG 995 2HH2 ARG 995 -11.123 -10.683 9.495 290 H LEU 996 H LEU 996 -10.339 -3.504 5.566 291 HA LEU 996 HA LEU 996 -9.320 -4.077 2.909 292 1HB LEU 996 1HB LEU 996 -8.583 -2.180 4.536 293 2HB LEU 996 2HB LEU 996 -7.625 -3.432 5.298 294 HG LEU 996 HG LEU 996 -6.337 -2.056 3.695 295 1HD1 LEU 996 1HD2 LEU 996 -5.621 -4.328 4.193 296 2HD1 LEU 996 2HD2 LEU 996 -5.270 -3.906 2.516 297 3HD1 LEU 996 3HD2 LEU 996 -6.644 -4.946 2.896 298 1HD2 LEU 996 1HD1 LEU 996 -8.104 -1.589 2.094 299 2HD2 LEU 996 2HD1 LEU 996 -8.160 -3.292 1.638 300 3HD2 LEU 996 3HD1 LEU 996 -6.719 -2.334 1.296 301 H ILE 997 H ILE 997 -8.805 -6.078 2.335 302 HA ILE 997 HA ILE 997 -8.360 -8.150 4.286 303 HB ILE 997 HB ILE 997 -8.029 -8.293 1.286 304 1HG1 ILE 997 2HG1 ILE 997 -10.293 -7.556 1.956 305 2HG1 ILE 997 1HG1 ILE 997 -10.307 -9.157 1.221 306 1HG2 ILE 997 1HG2 ILE 997 -8.349 -10.703 1.609 307 2HG2 ILE 997 2HG2 ILE 997 -8.418 -10.456 3.354 308 3HG2 ILE 997 3HG2 ILE 997 -6.930 -10.112 2.473 309 1HD1 ILE 997 1HD1 ILE 997 -10.463 -10.167 3.439 310 2HD1 ILE 997 2HD1 ILE 997 -11.795 -9.053 3.132 311 3HD1 ILE 997 3HD1 ILE 997 -10.455 -8.562 4.167 312 H GLY 998 H GLY 998 -6.496 -7.124 5.292 313 1HA GLY 998 2HA GLY 998 -4.075 -8.182 4.970 314 2HA GLY 998 1HA GLY 998 -4.060 -6.962 3.705 315 H HIS 999 H HIS 999 -3.333 -5.015 4.235 316 HA HIS 999 HA HIS 999 -3.736 -3.980 6.924 317 1HB HIS 999 2HB HIS 999 -1.534 -5.235 6.885 318 2HB HIS 999 1HB HIS 999 -0.960 -4.033 5.735 319 HD1 HIS 999 1HD HIS 999 0.855 -3.562 7.663 320 HD2 HIS 999 2HD HIS 999 -3.058 -2.452 8.512 321 HE1 HIS 999 1HE HIS 999 1.013 -1.988 9.617 322 HE2 HIS 999 2HE HIS 999 -1.359 -1.257 10.053 323 H SER1000 H SER1000 -4.171 -1.855 6.891 324 HA SER1000 HA SER1000 -4.294 -0.578 4.302 325 1HB SER1000 2HB SER1000 -5.206 0.387 7.023 326 2HB SER1000 1HB SER1000 -5.556 1.184 5.489 327 HG SER1000 HG SER1000 -6.966 -0.341 4.995 328 H SER1001 H SER1001 -1.654 -0.995 5.518 329 HA SER1001 HA SER1001 -0.570 1.551 4.862 330 1HB SER1001 1HB SER1001 0.527 2.016 7.034 331 2HB SER1001 2HB SER1001 -1.230 2.097 7.148 332 HG SER1001 HG SER1001 0.436 0.576 8.545 333 H ALA1002 H ALA1002 1.325 1.190 3.914 334 HA ALA1002 HA ALA1002 2.684 -1.362 4.485 335 1HB ALA1002 1HB ALA1002 1.716 -1.229 2.238 336 2HB ALA1002 2HB ALA1002 3.475 -1.332 2.185 337 3HB ALA1002 3HB ALA1002 2.674 0.216 1.914 338 H GLU1003 H GLU1003 5.023 -1.394 4.217 339 HA GLU1003 HA GLU1003 6.277 1.227 4.702 340 1HB GLU1003 2HB GLU1003 6.098 -0.007 6.814 341 2HB GLU1003 1HB GLU1003 6.925 -1.380 6.092 342 1HG GLU1003 1HG GLU1003 8.931 -0.018 5.797 343 2HG GLU1003 2HG GLU1003 8.101 1.357 6.525 344 H CYS1004 H CYS1004 7.858 1.691 3.330 345 HA CYS1004 HA CYS1004 8.694 -0.123 1.317 346 1HB CYS1004 2HB CYS1004 8.615 2.332 1.003 347 2HB CYS1004 1HB CYS1004 9.944 2.506 2.143 348 H ILE1005 H ILE1005 9.813 -1.892 1.913 349 HA ILE1005 HA ILE1005 12.132 -1.517 3.696 350 HB ILE1005 HB ILE1005 11.840 -3.904 4.340 351 1HG1 ILE1005 2HG1 ILE1005 9.172 -3.629 2.937 352 2HG1 ILE1005 1HG1 ILE1005 10.530 -4.575 2.335 353 1HG2 ILE1005 1HG2 ILE1005 9.938 -3.505 5.842 354 2HG2 ILE1005 2HG2 ILE1005 9.510 -2.076 4.903 355 3HG2 ILE1005 3HG2 ILE1005 11.040 -2.129 5.781 356 1HD1 ILE1005 1HD1 ILE1005 10.396 -6.020 4.289 357 2HD1 ILE1005 2HD1 ILE1005 8.869 -5.983 3.408 358 3HD1 ILE1005 3HD1 ILE1005 9.047 -5.067 4.905 359 H LEU1006 H LEU1006 13.803 -3.275 3.433 360 HA LEU1006 HA LEU1006 14.096 -4.034 0.601 361 1HB LEU1006 2HB LEU1006 16.140 -2.925 2.509 362 2HB LEU1006 1HB LEU1006 16.605 -3.815 1.072 363 HG LEU1006 HG LEU1006 14.853 -1.370 0.942 364 1HD1 LEU1006 1HD2 LEU1006 17.858 -1.508 0.750 365 2HD1 LEU1006 2HD2 LEU1006 16.930 -0.728 2.031 366 3HD1 LEU1006 3HD2 LEU1006 16.868 -0.096 0.384 367 1HD2 LEU1006 1HD1 LEU1006 14.830 -2.836 -1.005 368 2HD2 LEU1006 2HD1 LEU1006 16.589 -2.755 -1.095 369 3HD2 LEU1006 3HD1 LEU1006 15.624 -1.305 -1.371 370 H SER1007 H SER1007 14.605 -6.107 0.193 371 HA SER1007 HA SER1007 15.803 -7.768 2.252 372 1HB SER1007 2HB SER1007 14.048 -9.501 2.085 373 2HB SER1007 1HB SER1007 13.417 -7.989 2.739 374 HG SER1007 HG SER1007 11.976 -8.576 1.211 375 H GLY1008 H GLY1008 14.274 -7.781 -0.966 376 1HA GLY1008 1HA GLY1008 16.169 -9.829 -1.848 377 2HA GLY1008 2HA GLY1008 14.764 -9.262 -2.740 378 H ASN1009 H ASN1009 15.460 -8.447 -4.605 379 HA ASN1009 HA ASN1009 17.925 -6.866 -4.644 380 1HB ASN1009 2HB ASN1009 16.281 -7.979 -6.928 381 2HB ASN1009 1HB ASN1009 17.800 -7.104 -7.098 382 1HD2 ASN1009 2HD2 ASN1009 16.291 -10.070 -6.113 383 2HD2 ASN1009 1HD2 ASN1009 17.736 -11.012 -6.023 384 H THR1010 H THR1010 14.607 -6.461 -4.485 385 HA THR1010 HA THR1010 14.869 -3.632 -5.167 386 HB THR1010 HB THR1010 13.993 -4.626 -7.206 387 HG1 THR1010 1HG THR1010 13.014 -2.723 -7.050 388 1HG2 THR1010 1HG2 THR1010 11.767 -5.693 -5.466 389 2HG2 THR1010 2HG2 THR1010 13.011 -6.653 -6.267 390 3HG2 THR1010 3HG2 THR1010 11.822 -5.774 -7.227 391 H ALA1011 H ALA1011 13.720 -2.301 -3.864 392 HA ALA1011 HA ALA1011 12.648 -3.295 -1.453 393 1HB ALA1011 1HB ALA1011 12.296 -0.558 -2.671 394 2HB ALA1011 2HB ALA1011 13.652 -1.066 -1.665 395 3HB ALA1011 3HB ALA1011 12.027 -0.993 -0.983 396 H HIS1012 H HIS1012 10.705 -4.080 -1.001 397 HA HIS1012 HA HIS1012 8.415 -3.242 -2.643 398 1HB HIS1012 2HB HIS1012 7.535 -5.546 -2.567 399 2HB HIS1012 1HB HIS1012 9.079 -5.463 -3.408 400 HD1 HIS1012 1HD HIS1012 7.402 -6.997 -0.500 401 HD2 HIS1012 2HD HIS1012 11.268 -6.606 -1.971 402 HE1 HIS1012 1HE HIS1012 8.777 -8.675 0.771 403 HE2 HIS1012 2HE HIS1012 11.089 -8.493 -0.212 404 H TRP1013 H TRP1013 6.449 -3.091 -1.577 405 HA TRP1013 HA TRP1013 6.645 -2.347 1.147 406 1HB TRP1013 2HB TRP1013 4.147 -2.813 -0.496 407 2HB TRP1013 1HB TRP1013 4.255 -1.890 0.999 408 HD1 TRP1013 HD TRP1013 4.962 -1.643 -2.728 409 HE1 TRP1013 1HE TRP1013 5.538 0.796 -3.311 410 HE3 TRP1013 3HE TRP1013 5.309 0.270 2.002 411 HZ2 TRP1013 2HZ TRP1013 6.076 3.203 -1.957 412 HZ3 TRP1013 3HZ TRP1013 5.859 2.653 2.270 413 HH2 TRP1013 HH TRP1013 6.234 4.090 0.331 414 H SER1014 H SER1014 5.746 -3.277 2.991 415 HA SER1014 HA SER1014 5.834 -6.163 2.939 416 1HB SER1014 1HB SER1014 5.759 -5.981 5.400 417 2HB SER1014 2HB SER1014 7.010 -4.948 4.710 418 HG SER1014 HG SER1014 5.898 -3.736 6.195 419 H THR1015 H THR1015 3.535 -4.861 1.684 420 HA THR1015 HA THR1015 1.441 -6.217 3.234 421 HB THR1015 HB THR1015 -0.177 -4.453 2.679 422 HG1 THR1015 1HG THR1015 2.026 -3.448 1.293 423 1HG2 THR1015 1HG2 THR1015 0.656 -2.727 4.214 424 2HG2 THR1015 2HG2 THR1015 2.277 -3.410 4.100 425 3HG2 THR1015 3HG2 THR1015 0.975 -4.348 4.833 426 H LYS1016 H LYS1016 0.349 -7.637 2.053 427 HA LYS1016 HA LYS1016 0.765 -8.034 -0.705 428 1HB LYS1016 1HB LYS1016 -1.252 -9.552 -0.506 429 2HB LYS1016 2HB LYS1016 0.076 -9.902 0.591 430 1HG LYS1016 2HG LYS1016 -1.798 -10.105 1.931 431 2HG LYS1016 1HG LYS1016 -1.219 -8.478 2.290 432 1HD LYS1016 2HD LYS1016 -3.535 -8.237 2.031 433 2HD LYS1016 1HD LYS1016 -2.857 -7.686 0.499 434 1HE LYS1016 2HE LYS1016 -3.912 -10.466 0.986 435 2HE LYS1016 1HE LYS1016 -4.855 -9.161 0.269 436 1HZ LYS1016 1HZ LYS1016 -3.960 -10.509 -1.466 437 2HZ LYS1016 2HZ LYS1016 -2.394 -10.394 -0.839 438 3HZ LYS1016 3HZ LYS1016 -3.144 -9.026 -1.492 439 HA PRO1017 HA PRO1017 -1.959 -5.390 -2.951 440 1HB PRO1017 1HB PRO1017 -3.650 -7.280 -4.166 441 2HB PRO1017 2HB PRO1017 -2.154 -6.627 -4.837 442 1HG PRO1017 1HG PRO1017 -2.629 -9.193 -3.403 443 2HG PRO1017 2HG PRO1017 -1.510 -8.835 -4.731 444 1HD PRO1017 1HD PRO1017 -0.632 -9.128 -2.222 445 2HD PRO1017 2HD PRO1017 0.078 -7.913 -3.306 446 HA PRO1018 HA PRO1018 -5.136 -5.210 0.217 447 1HB PRO1018 2HB PRO1018 -6.089 -2.743 -0.495 448 2HB PRO1018 1HB PRO1018 -4.653 -2.993 0.503 449 1HG PRO1018 2HG PRO1018 -4.850 -2.423 -2.430 450 2HG PRO1018 1HG PRO1018 -3.728 -1.751 -1.231 451 1HD PRO1018 2HD PRO1018 -2.988 -3.705 -2.923 452 2HD PRO1018 1HD PRO1018 -2.378 -3.633 -1.257 453 H ILE1019 H ILE1019 -7.298 -5.626 0.291 454 HA ILE1019 HA ILE1019 -8.807 -5.509 -2.235 455 HB ILE1019 HB ILE1019 -9.141 -7.779 -0.289 456 1HG1 ILE1019 2HG1 ILE1019 -7.426 -7.792 -2.784 457 2HG1 ILE1019 1HG1 ILE1019 -6.798 -7.752 -1.140 458 1HG2 ILE1019 1HG2 ILE1019 -10.175 -8.881 -2.217 459 2HG2 ILE1019 2HG2 ILE1019 -9.874 -7.445 -3.194 460 3HG2 ILE1019 3HG2 ILE1019 -10.981 -7.363 -1.824 461 1HD1 ILE1019 1HD1 ILE1019 -6.697 -9.991 -2.047 462 2HD1 ILE1019 2HD1 ILE1019 -8.432 -9.964 -2.360 463 3HD1 ILE1019 3HD1 ILE1019 -7.834 -9.924 -0.701 464 H CYS1020 H CYS1020 -11.183 -5.652 -1.882 465 HA CYS1020 HA CYS1020 -11.942 -4.395 0.673 466 1HB CYS1020 1HB CYS1020 -13.241 -4.016 -2.033 467 2HB CYS1020 2HB CYS1020 -13.715 -3.222 -0.536 468 H GLN1021 H GLN1021 -13.058 -5.734 1.917 469 HA GLN1021 HA GLN1021 -14.140 -8.170 0.909 470 1HB GLN1021 1HB GLN1021 -13.130 -7.948 3.162 471 2HB GLN1021 2HB GLN1021 -14.475 -6.923 3.644 472 1HG GLN1021 1HG GLN1021 -16.021 -8.775 3.280 473 2HG GLN1021 2HG GLN1021 -14.675 -9.803 2.790 474 1HE2 GLN1021 1HE2 GLN1021 -16.252 -8.209 5.441 475 2HE2 GLN1021 2HE2 GLN1021 -15.428 -9.050 6.705 476 H ARG1022 H ARG1022 -15.358 -5.033 1.148 477 HA ARG1022 HA ARG1022 -17.391 -4.100 0.759 478 1HB ARG1022 2HB ARG1022 -17.468 -5.626 -1.162 479 2HB ARG1022 1HB ARG1022 -18.151 -6.885 -0.141 480 1HG ARG1022 2HG ARG1022 -20.115 -5.448 0.263 481 2HG ARG1022 1HG ARG1022 -19.436 -4.255 -0.847 482 1HD ARG1022 2HD ARG1022 -20.193 -7.092 -1.528 483 2HD ARG1022 1HD ARG1022 -21.097 -5.643 -1.965 484 HE ARG1022 HE ARG1022 -18.576 -5.268 -2.987 485 1HH1 ARG1022 1HH1 ARG1022 -21.104 -7.640 -3.350 486 2HH1 ARG1022 2HH1 ARG1022 -20.680 -8.030 -4.983 487 1HH2 ARG1022 1HH2 ARG1022 -18.012 -5.775 -5.136 488 2HH2 ARG1022 2HH2 ARG1022 -18.922 -6.971 -5.998 489 H ILE1023 H ILE1023 -18.461 -3.442 2.486 490 HA ILE1023 HA ILE1023 -19.508 -5.438 4.370 491 HB ILE1023 HB ILE1023 -19.113 -2.471 4.780 492 1HG1 ILE1023 2HG1 ILE1023 -17.496 -4.796 5.847 493 2HG1 ILE1023 1HG1 ILE1023 -16.996 -3.754 4.519 494 1HG2 ILE1023 1HG2 ILE1023 -19.509 -2.974 7.148 495 2HG2 ILE1023 2HG2 ILE1023 -19.847 -4.653 6.728 496 3HG2 ILE1023 3HG2 ILE1023 -20.909 -3.369 6.149 497 1HD1 ILE1023 1HD1 ILE1023 -16.983 -1.838 6.030 498 2HD1 ILE1023 2HD1 ILE1023 -15.905 -3.119 6.585 499 3HD1 ILE1023 3HD1 ILE1023 -17.472 -2.889 7.359 500 HA PRO1024 HA PRO1024 -23.590 -4.497 2.825 501 1HB PRO1024 1HB PRO1024 -24.994 -5.842 4.722 502 2HB PRO1024 2HB PRO1024 -24.161 -6.650 3.390 503 1HG PRO1024 1HG PRO1024 -23.281 -6.277 6.227 504 2HG PRO1024 2HG PRO1024 -23.167 -7.719 5.202 505 1HD PRO1024 1HD PRO1024 -21.061 -6.076 5.638 506 2HD PRO1024 2HD PRO1024 -21.289 -6.947 4.108 Start of MODEL 4 1 1H GLU 957 1HT GLU 957 26.577 1.667 -6.624 2 2H GLU 957 2HT GLU 957 26.986 0.079 -6.209 3 3H GLU 957 3HT GLU 957 25.533 0.750 -5.660 4 HA GLU 957 HA GLU 957 26.222 0.205 -8.487 5 1HB GLU 957 1HB GLU 957 24.291 -1.193 -6.625 6 2HB GLU 957 2HB GLU 957 24.480 -1.538 -8.339 7 1HG GLU 957 1HG GLU 957 26.787 -2.234 -7.945 8 2HG GLU 957 2HG GLU 957 26.597 -1.887 -6.228 9 H ALA 958 H ALA 958 23.490 0.831 -6.277 10 HA ALA 958 HA ALA 958 22.344 2.575 -8.360 11 1HB ALA 958 1HB ALA 958 20.122 1.924 -7.603 12 2HB ALA 958 2HB ALA 958 20.835 0.858 -6.392 13 3HB ALA 958 3HB ALA 958 21.052 0.513 -8.108 14 H GLU 959 H GLU 959 21.680 4.573 -7.770 15 HA GLU 959 HA GLU 959 22.287 5.411 -5.037 16 1HB GLU 959 2HB GLU 959 23.277 6.681 -6.902 17 2HB GLU 959 1HB GLU 959 21.666 7.061 -7.495 18 1HG GLU 959 1HG GLU 959 21.200 8.298 -5.441 19 2HG GLU 959 2HG GLU 959 22.816 7.916 -4.847 20 H ALA 960 H ALA 960 20.820 6.553 -3.748 21 HA ALA 960 HA ALA 960 18.804 7.027 -2.809 22 1HB ALA 960 1HB ALA 960 18.608 8.548 -4.719 23 2HB ALA 960 2HB ALA 960 17.042 7.885 -4.251 24 3HB ALA 960 3HB ALA 960 17.877 7.255 -5.670 25 H LYS 961 H LYS 961 16.293 6.375 -3.077 26 HA LYS 961 HA LYS 961 15.954 3.639 -3.950 27 1HB LYS 961 1HB LYS 961 15.355 2.749 -1.772 28 2HB LYS 961 2HB LYS 961 16.998 3.372 -1.728 29 1HG LYS 961 1HG LYS 961 14.636 4.966 -0.779 30 2HG LYS 961 2HG LYS 961 15.544 3.877 0.271 31 1HD LYS 961 2HD LYS 961 17.586 5.141 -0.174 32 2HD LYS 961 1HD LYS 961 16.692 6.219 -1.247 33 1HE LYS 961 2HE LYS 961 17.008 7.228 0.952 34 2HE LYS 961 1HE LYS 961 15.301 6.942 0.619 35 1HZ LYS 961 1HZ LYS 961 15.404 4.947 1.975 36 2HZ LYS 961 2HZ LYS 961 15.882 6.299 2.871 37 3HZ LYS 961 3HZ LYS 961 17.045 5.216 2.291 38 H SER 962 H SER 962 13.798 3.026 -4.145 39 HA SER 962 HA SER 962 11.641 4.548 -3.090 40 1HB SER 962 1HB SER 962 12.353 6.167 -4.782 41 2HB SER 962 2HB SER 962 12.264 4.923 -6.030 42 HG SER 962 HG SER 962 10.284 6.443 -4.959 43 H CYS 963 H CYS 963 10.178 3.025 -2.746 44 HA CYS 963 HA CYS 963 10.100 0.555 -4.144 45 1HB CYS 963 2HB CYS 963 8.139 1.870 -2.259 46 2HB CYS 963 1HB CYS 963 7.917 0.250 -2.911 47 H LYS 964 H LYS 964 8.320 -0.272 -5.415 48 HA LYS 964 HA LYS 964 7.425 1.647 -7.376 49 1HB LYS 964 2HB LYS 964 6.916 -1.326 -7.156 50 2HB LYS 964 1HB LYS 964 6.502 -0.324 -8.540 51 1HG LYS 964 1HG LYS 964 8.873 0.176 -8.885 52 2HG LYS 964 2HG LYS 964 9.282 -0.847 -7.507 53 1HD LYS 964 2HD LYS 964 9.617 -2.093 -9.542 54 2HD LYS 964 1HD LYS 964 8.234 -2.764 -8.675 55 1HE LYS 964 2HE LYS 964 7.777 -2.594 -11.066 56 2HE LYS 964 1HE LYS 964 6.711 -1.542 -10.135 57 1HZ LYS 964 1HZ LYS 964 8.131 0.331 -10.693 58 2HZ LYS 964 2HZ LYS 964 7.564 -0.424 -12.096 59 3HZ LYS 964 3HZ LYS 964 9.156 -0.679 -11.585 60 H THR 965 H THR 965 5.595 2.746 -7.240 61 HA THR 965 HA THR 965 3.806 2.581 -5.135 62 HB THR 965 HB THR 965 2.292 3.994 -6.467 63 HG1 THR 965 1HG THR 965 3.576 4.497 -8.645 64 1HG2 THR 965 1HG2 THR 965 4.198 5.033 -5.345 65 2HG2 THR 965 2HG2 THR 965 3.845 5.851 -6.867 66 3HG2 THR 965 3HG2 THR 965 5.206 4.735 -6.761 67 HA PRO 966 HA PRO 966 1.356 -0.967 -6.189 68 1HB PRO 966 2HB PRO 966 -0.641 -0.622 -4.403 69 2HB PRO 966 1HB PRO 966 0.977 -1.142 -3.923 70 1HG PRO 966 1HG PRO 966 -0.248 1.590 -3.809 71 2HG PRO 966 2HG PRO 966 0.730 0.754 -2.588 72 1HD PRO 966 2HD PRO 966 1.755 2.629 -4.260 73 2HD PRO 966 1HD PRO 966 2.711 1.266 -3.645 74 HA PRO 967 HA PRO 967 -1.442 0.818 -9.241 75 1HB PRO 967 1HB PRO 967 -2.381 -2.008 -9.252 76 2HB PRO 967 2HB PRO 967 -1.923 -0.969 -10.606 77 1HG PRO 967 1HG PRO 967 -0.296 -2.901 -9.769 78 2HG PRO 967 2HG PRO 967 0.346 -1.330 -10.286 79 1HD PRO 967 1HD PRO 967 -0.011 -2.421 -7.528 80 2HD PRO 967 2HD PRO 967 1.289 -1.402 -8.178 81 H ASP 968 H ASP 968 -3.581 1.422 -9.253 82 HA ASP 968 HA ASP 968 -4.932 1.552 -6.819 83 1HB ASP 968 1HB ASP 968 -6.860 2.373 -8.147 84 2HB ASP 968 2HB ASP 968 -5.349 3.161 -8.586 85 HA PRO 969 HA PRO 969 -6.626 -2.588 -6.754 86 1HB PRO 969 2HB PRO 969 -7.886 -2.388 -4.373 87 2HB PRO 969 1HB PRO 969 -6.132 -2.561 -4.502 88 1HG PRO 969 1HG PRO 969 -7.766 -0.088 -4.065 89 2HG PRO 969 2HG PRO 969 -6.271 -0.594 -3.258 90 1HD PRO 969 1HD PRO 969 -6.313 1.224 -5.274 91 2HD PRO 969 2HD PRO 969 -4.942 0.132 -4.992 92 H VAL 970 H VAL 970 -8.866 -3.527 -6.264 93 HA VAL 970 HA VAL 970 -10.767 -2.208 -7.927 94 HB VAL 970 HB VAL 970 -10.670 -4.638 -7.868 95 1HG1 VAL 970 1HG1 VAL 970 -11.581 -4.388 -5.004 96 2HG1 VAL 970 2HG1 VAL 970 -10.005 -4.956 -5.554 97 3HG1 VAL 970 3HG1 VAL 970 -11.455 -5.895 -5.911 98 1HG2 VAL 970 1HG2 VAL 970 -13.060 -5.117 -7.609 99 2HG2 VAL 970 2HG2 VAL 970 -12.788 -3.602 -8.470 100 3HG2 VAL 970 3HG2 VAL 970 -13.274 -3.579 -6.775 101 H ASN 971 H ASN 971 -12.323 -0.820 -7.408 102 HA ASN 971 HA ASN 971 -13.653 0.572 -6.198 103 1HB ASN 971 1HB ASN 971 -13.791 -1.833 -4.365 104 2HB ASN 971 2HB ASN 971 -14.879 -0.449 -4.303 105 1HD2 ASN 971 1HD2 ASN 971 -15.449 -3.268 -4.782 106 2HD2 ASN 971 2HD2 ASN 971 -16.249 -3.339 -6.312 107 H GLY 972 H GLY 972 -10.703 0.383 -5.584 108 1HA GLY 972 1HA GLY 972 -10.823 1.848 -3.036 109 2HA GLY 972 2HA GLY 972 -9.674 0.531 -3.216 110 H MET 973 H MET 973 -8.487 2.722 -2.553 111 HA MET 973 HA MET 973 -7.042 3.505 -4.941 112 1HB MET 973 2HB MET 973 -7.243 5.920 -4.464 113 2HB MET 973 1HB MET 973 -8.787 5.191 -4.884 114 1HG MET 973 2HG MET 973 -9.380 5.097 -2.512 115 2HG MET 973 1HG MET 973 -7.841 5.854 -2.105 116 1HE MET 973 1HE MET 973 -10.175 6.657 -5.178 117 2HE MET 973 2HE MET 973 -11.178 7.946 -4.510 118 3HE MET 973 3HE MET 973 -11.310 6.306 -3.874 119 H VAL 974 H VAL 974 -5.199 5.071 -4.275 120 HA VAL 974 HA VAL 974 -4.231 4.451 -1.575 121 HB VAL 974 HB VAL 974 -3.215 2.795 -3.060 122 1HG1 VAL 974 1HG1 VAL 974 -2.118 5.167 -4.565 123 2HG1 VAL 974 2HG1 VAL 974 -3.333 4.032 -5.153 124 3HG1 VAL 974 3HG1 VAL 974 -1.685 3.481 -4.847 125 1HG2 VAL 974 1HG2 VAL 974 -0.863 3.233 -2.532 126 2HG2 VAL 974 2HG2 VAL 974 -1.917 3.598 -1.166 127 3HG2 VAL 974 3HG2 VAL 974 -1.265 4.908 -2.151 128 H HIS 975 H HIS 975 -2.812 5.964 -0.688 129 HA HIS 975 HA HIS 975 -2.492 8.454 -2.227 130 1HB HIS 975 2HB HIS 975 -3.369 8.180 0.654 131 2HB HIS 975 1HB HIS 975 -2.947 9.704 -0.118 132 HD1 HIS 975 1HD HIS 975 -4.719 10.826 -1.525 133 HD2 HIS 975 2HD HIS 975 -5.785 6.990 -0.334 134 HE1 HIS 975 1HE HIS 975 -7.143 10.576 -2.150 135 HE2 HIS 975 2HE HIS 975 -7.788 8.280 -1.338 136 H VAL 976 H VAL 976 -0.640 9.645 -1.852 137 HA VAL 976 HA VAL 976 1.487 8.256 -0.395 138 HB VAL 976 HB VAL 976 1.727 10.646 -2.227 139 1HG1 VAL 976 1HG1 VAL 976 3.803 8.745 -1.143 140 2HG1 VAL 976 2HG1 VAL 976 3.571 10.423 -0.652 141 3HG1 VAL 976 3HG1 VAL 976 4.101 10.050 -2.292 142 1HG2 VAL 976 1HG2 VAL 976 0.855 8.743 -3.460 143 2HG2 VAL 976 2HG2 VAL 976 2.145 7.720 -2.826 144 3HG2 VAL 976 3HG2 VAL 976 2.531 9.053 -3.914 145 H ILE 977 H ILE 977 1.791 8.836 1.649 146 HA ILE 977 HA ILE 977 0.603 11.189 2.736 147 HB ILE 977 HB ILE 977 2.537 9.268 4.036 148 1HG1 ILE 977 1HG1 ILE 977 0.520 8.132 3.234 149 2HG1 ILE 977 2HG1 ILE 977 0.525 8.218 4.993 150 1HG2 ILE 977 1HG2 ILE 977 1.620 10.118 6.148 151 2HG2 ILE 977 2HG2 ILE 977 0.659 11.291 5.249 152 3HG2 ILE 977 3HG2 ILE 977 2.420 11.385 5.217 153 1HD1 ILE 977 1HD1 ILE 977 -1.033 10.093 4.905 154 2HD1 ILE 977 2HD1 ILE 977 -1.682 8.664 4.101 155 3HD1 ILE 977 3HD1 ILE 977 -1.042 10.001 3.144 156 H THR 978 H THR 978 3.958 10.173 2.151 157 HA THR 978 HA THR 978 4.766 12.989 2.375 158 HB THR 978 HB THR 978 6.348 10.706 3.569 159 HG1 THR 978 1HG THR 978 4.502 11.127 4.830 160 1HG2 THR 978 1HG2 THR 978 7.702 12.493 4.559 161 2HG2 THR 978 2HG2 THR 978 6.721 13.700 3.726 162 3HG2 THR 978 3HG2 THR 978 7.718 12.581 2.797 163 H ASP 979 H ASP 979 6.456 9.903 1.814 164 HA ASP 979 HA ASP 979 6.987 10.719 -0.944 165 1HB ASP 979 1HB ASP 979 9.112 9.954 1.064 166 2HB ASP 979 2HB ASP 979 9.385 9.999 -0.675 167 H ILE 980 H ILE 980 8.480 8.763 -1.889 168 HA ILE 980 HA ILE 980 6.899 6.342 -1.335 169 HB ILE 980 HB ILE 980 8.393 6.968 -3.881 170 1HG1 ILE 980 1HG1 ILE 980 5.441 7.319 -3.305 171 2HG1 ILE 980 2HG1 ILE 980 6.603 8.634 -3.452 172 1HG2 ILE 980 1HG2 ILE 980 7.971 4.603 -3.502 173 2HG2 ILE 980 2HG2 ILE 980 6.974 5.203 -4.827 174 3HG2 ILE 980 3HG2 ILE 980 6.259 4.935 -3.237 175 1HD1 ILE 980 1HD1 ILE 980 7.012 8.020 -5.772 176 2HD1 ILE 980 2HD1 ILE 980 5.306 8.361 -5.484 177 3HD1 ILE 980 3HD1 ILE 980 5.860 6.692 -5.626 178 H GLN 981 H GLN 981 9.942 7.692 -1.007 179 HA GLN 981 HA GLN 981 11.591 5.437 -1.509 180 1HB GLN 981 1HB GLN 981 13.300 6.680 -0.222 181 2HB GLN 981 2HB GLN 981 12.540 7.667 -1.463 182 1HG GLN 981 1HG GLN 981 11.120 8.704 0.231 183 2HG GLN 981 2HG GLN 981 11.884 7.715 1.475 184 1HE2 GLN 981 1HE2 GLN 981 11.763 10.618 1.197 185 2HE2 GLN 981 2HE2 GLN 981 13.401 11.164 1.172 186 H VAL 982 H VAL 982 13.031 4.611 0.397 187 HA VAL 982 HA VAL 982 11.365 3.095 2.103 188 HB VAL 982 HB VAL 982 14.339 3.572 2.356 189 1HG1 VAL 982 1HG1 VAL 982 14.348 1.429 3.551 190 2HG1 VAL 982 2HG1 VAL 982 12.590 1.366 3.438 191 3HG1 VAL 982 3HG1 VAL 982 13.368 2.637 4.381 192 1HG2 VAL 982 1HG2 VAL 982 12.827 1.427 0.871 193 2HG2 VAL 982 2HG2 VAL 982 14.575 1.474 1.103 194 3HG2 VAL 982 3HG2 VAL 982 13.778 2.726 0.152 195 H GLY 983 H GLY 983 10.919 3.259 4.275 196 1HA GLY 983 1HA GLY 983 11.038 4.243 6.425 197 2HA GLY 983 2HA GLY 983 11.899 5.607 5.726 198 H SER 984 H SER 984 9.656 5.366 3.542 199 HA SER 984 HA SER 984 7.863 7.233 4.889 200 1HB SER 984 2HB SER 984 8.076 6.454 1.969 201 2HB SER 984 1HB SER 984 7.004 7.697 2.614 202 HG SER 984 HG SER 984 8.658 8.948 2.265 203 H ARG 985 H ARG 985 5.742 6.850 5.292 204 HA ARG 985 HA ARG 985 4.756 4.146 4.659 205 1HB ARG 985 2HB ARG 985 5.227 4.451 7.049 206 2HB ARG 985 1HB ARG 985 4.158 5.845 7.088 207 1HG ARG 985 2HG ARG 985 2.263 4.407 6.523 208 2HG ARG 985 1HG ARG 985 3.339 3.008 6.496 209 1HD ARG 985 1HD ARG 985 2.142 3.146 8.613 210 2HD ARG 985 2HD ARG 985 3.875 3.368 8.850 211 HE ARG 985 HE ARG 985 2.655 5.881 8.546 212 1HH1 ARG 985 1HH1 ARG 985 2.843 3.242 10.815 213 2HH1 ARG 985 2HH1 ARG 985 2.565 4.245 12.199 214 1HH2 ARG 985 1HH2 ARG 985 2.289 7.207 10.363 215 2HH2 ARG 985 2HH2 ARG 985 2.250 6.498 11.942 216 H ILE 986 H ILE 986 3.230 4.231 3.153 217 HA ILE 986 HA ILE 986 1.418 6.524 3.025 218 HB ILE 986 HB ILE 986 0.625 5.550 0.911 219 1HG1 ILE 986 1HG1 ILE 986 2.745 3.440 1.384 220 2HG1 ILE 986 2HG1 ILE 986 1.009 3.175 1.511 221 1HG2 ILE 986 1HG2 ILE 986 3.626 5.793 1.102 222 2HG2 ILE 986 2HG2 ILE 986 2.482 7.118 0.878 223 3HG2 ILE 986 3HG2 ILE 986 2.680 5.901 -0.383 224 1HD1 ILE 986 1HD1 ILE 986 2.491 3.967 -0.984 225 2HD1 ILE 986 2HD1 ILE 986 0.753 3.692 -0.856 226 3HD1 ILE 986 3HD1 ILE 986 1.878 2.358 -0.601 227 H THR 987 H THR 987 -0.924 5.842 2.371 228 HA THR 987 HA THR 987 -1.795 3.781 4.293 229 HB THR 987 HB THR 987 -3.521 6.054 3.326 230 HG1 THR 987 1HG THR 987 -2.092 7.231 4.414 231 1HG2 THR 987 1HG2 THR 987 -3.627 4.301 5.783 232 2HG2 THR 987 2HG2 THR 987 -4.666 4.158 4.366 233 3HG2 THR 987 3HG2 THR 987 -4.762 5.592 5.388 234 H TYR 988 H TYR 988 -3.901 2.751 3.746 235 HA TYR 988 HA TYR 988 -4.460 2.517 0.903 236 1HB TYR 988 1HB TYR 988 -2.554 0.866 1.933 237 2HB TYR 988 2HB TYR 988 -4.005 -0.098 2.192 238 HD1 TYR 988 1HD TYR 988 -5.189 -1.076 0.350 239 HD2 TYR 988 2HD TYR 988 -1.867 1.488 -0.342 240 HE1 TYR 988 1HE TYR 988 -5.128 -1.801 -1.999 241 HE2 TYR 988 2HE TYR 988 -1.795 0.771 -2.695 242 HH TYR 988 HH TYR 988 -2.512 -1.144 -4.059 243 H SER 989 H SER 989 -6.586 2.294 0.622 244 HA SER 989 HA SER 989 -8.200 0.876 2.582 245 1HB SER 989 2HB SER 989 -8.070 3.190 3.453 246 2HB SER 989 1HB SER 989 -8.725 3.784 1.926 247 HG SER 989 HG SER 989 -10.139 3.182 3.937 248 H CYS 990 H CYS 990 -10.610 1.053 1.885 249 HA CYS 990 HA CYS 990 -10.753 0.878 -1.055 250 1HB CYS 990 2HB CYS 990 -10.949 -1.299 0.317 251 2HB CYS 990 1HB CYS 990 -12.524 -0.691 0.811 252 H THR 991 H THR 991 -13.449 0.682 -1.408 253 HA THR 991 HA THR 991 -14.343 3.314 -1.206 254 HB THR 991 HB THR 991 -16.671 2.013 -1.498 255 HG1 THR 991 1HG THR 991 -15.122 0.019 -1.234 256 1HG2 THR 991 1HG2 THR 991 -14.541 2.270 -3.621 257 2HG2 THR 991 2HG2 THR 991 -15.675 3.529 -3.132 258 3HG2 THR 991 3HG2 THR 991 -16.268 2.067 -3.919 259 H THR 992 H THR 992 -16.759 3.588 -0.251 260 HA THR 992 HA THR 992 -16.349 4.074 2.446 261 HB THR 992 HB THR 992 -19.018 3.766 1.056 262 HG1 THR 992 1HG THR 992 -17.894 5.357 0.003 263 1HG2 THR 992 1HG2 THR 992 -18.265 5.251 3.577 264 2HG2 THR 992 2HG2 THR 992 -19.221 3.772 3.494 265 3HG2 THR 992 3HG2 THR 992 -19.851 5.268 2.806 266 H GLY 993 H GLY 993 -18.761 1.749 1.204 267 1HA GLY 993 1HA GLY 993 -18.791 0.406 3.771 268 2HA GLY 993 2HA GLY 993 -19.811 0.039 2.387 269 H HIS 994 H HIS 994 -16.271 0.169 2.591 270 HA HIS 994 HA HIS 994 -16.141 -2.736 2.298 271 1HB HIS 994 1HB HIS 994 -14.883 -0.783 0.362 272 2HB HIS 994 2HB HIS 994 -14.501 -2.500 0.425 273 HD1 HIS 994 1HD HIS 994 -17.456 -0.224 -0.253 274 HD2 HIS 994 2HD HIS 994 -16.152 -4.087 -1.050 275 HE1 HIS 994 1HE HIS 994 -19.136 -1.182 -1.859 276 HE2 HIS 994 2HE HIS 994 -18.281 -3.491 -2.392 277 H ARG 995 H ARG 995 -14.822 -3.415 3.837 278 HA ARG 995 HA ARG 995 -12.783 -1.667 4.932 279 1HB ARG 995 1HB ARG 995 -14.146 -2.991 6.463 280 2HB ARG 995 2HB ARG 995 -13.615 -4.475 5.682 281 1HG ARG 995 1HG ARG 995 -11.315 -4.018 6.404 282 2HG ARG 995 2HG ARG 995 -11.876 -2.555 7.218 283 1HD ARG 995 2HD ARG 995 -13.321 -3.901 8.654 284 2HD ARG 995 1HD ARG 995 -12.780 -5.366 7.833 285 HE ARG 995 HE ARG 995 -10.557 -3.960 8.853 286 1HH1 ARG 995 1HH1 ARG 995 -13.262 -5.894 9.895 287 2HH1 ARG 995 2HH1 ARG 995 -12.462 -6.477 11.317 288 1HH2 ARG 995 1HH2 ARG 995 -9.497 -4.723 10.720 289 2HH2 ARG 995 2HH2 ARG 995 -10.322 -5.811 11.786 290 H LEU 996 H LEU 996 -10.608 -1.905 4.724 291 HA LEU 996 HA LEU 996 -9.594 -3.392 2.523 292 1HB LEU 996 1HB LEU 996 -8.704 -1.207 3.574 293 2HB LEU 996 2HB LEU 996 -7.914 -2.252 4.738 294 HG LEU 996 HG LEU 996 -6.446 -1.505 2.870 295 1HD1 LEU 996 1HD2 LEU 996 -5.462 -3.697 2.433 296 2HD1 LEU 996 2HD2 LEU 996 -6.922 -4.474 3.046 297 3HD1 LEU 996 3HD2 LEU 996 -5.912 -3.513 4.128 298 1HD2 LEU 996 1HD1 LEU 996 -6.718 -2.521 0.671 299 2HD2 LEU 996 2HD1 LEU 996 -8.099 -1.506 1.084 300 3HD2 LEU 996 3HD1 LEU 996 -8.231 -3.261 1.195 301 H ILE 997 H ILE 997 -9.546 -5.553 2.592 302 HA ILE 997 HA ILE 997 -9.126 -7.026 5.016 303 HB ILE 997 HB ILE 997 -9.045 -8.045 2.173 304 1HG1 ILE 997 2HG1 ILE 997 -11.156 -6.871 2.694 305 2HG1 ILE 997 1HG1 ILE 997 -11.402 -8.599 2.458 306 1HG2 ILE 997 1HG2 ILE 997 -9.603 -10.207 3.189 307 2HG2 ILE 997 2HG2 ILE 997 -9.505 -9.473 4.790 308 3HG2 ILE 997 3HG2 ILE 997 -8.062 -9.583 3.781 309 1HD1 ILE 997 1HD1 ILE 997 -11.249 -7.182 5.108 310 2HD1 ILE 997 2HD1 ILE 997 -11.499 -8.913 4.875 311 3HD1 ILE 997 3HD1 ILE 997 -12.715 -7.762 4.319 312 H GLY 998 H GLY 998 -7.082 -5.940 5.560 313 1HA GLY 998 2HA GLY 998 -4.825 -7.522 5.047 314 2HA GLY 998 1HA GLY 998 -4.767 -6.133 3.974 315 H HIS 999 H HIS 999 -3.467 -4.610 4.734 316 HA HIS 999 HA HIS 999 -3.101 -4.390 7.630 317 1HB HIS 999 2HB HIS 999 -1.360 -3.761 5.264 318 2HB HIS 999 1HB HIS 999 -1.025 -3.072 6.843 319 HD1 HIS 999 1HD HIS 999 0.168 -4.534 8.511 320 HD2 HIS 999 2HD HIS 999 -1.158 -6.636 5.181 321 HE1 HIS 999 1HE HIS 999 1.186 -6.825 8.713 322 HE2 HIS 999 2HE HIS 999 0.295 -8.107 6.734 323 H SER1000 H SER1000 -4.518 -2.820 4.998 324 HA SER1000 HA SER1000 -5.458 -0.777 4.676 325 1HB SER1000 1HB SER1000 -5.252 -0.615 7.693 326 2HB SER1000 2HB SER1000 -6.217 0.459 6.680 327 HG SER1000 HG SER1000 -7.439 -1.280 7.573 328 H SER1001 H SER1001 -2.448 -1.152 4.993 329 HA SER1001 HA SER1001 -1.674 1.504 4.449 330 1HB SER1001 1HB SER1001 -1.961 1.792 6.878 331 2HB SER1001 2HB SER1001 -0.844 0.459 7.169 332 HG SER1001 HG SER1001 0.347 2.180 5.543 333 H ALA1002 H ALA1002 0.651 1.691 4.053 334 HA ALA1002 HA ALA1002 1.966 -0.918 3.693 335 1HB ALA1002 1HB ALA1002 1.916 1.276 1.624 336 2HB ALA1002 2HB ALA1002 0.938 -0.190 1.569 337 3HB ALA1002 3HB ALA1002 2.696 -0.300 1.476 338 H GLU1003 H GLU1003 4.319 -0.722 3.274 339 HA GLU1003 HA GLU1003 5.565 1.757 4.147 340 1HB GLU1003 2HB GLU1003 5.138 0.558 6.247 341 2HB GLU1003 1HB GLU1003 5.985 -0.850 5.622 342 1HG GLU1003 2HG GLU1003 8.055 0.436 5.510 343 2HG GLU1003 1HG GLU1003 7.207 1.855 6.127 344 H CYS1004 H CYS1004 7.130 2.134 2.739 345 HA CYS1004 HA CYS1004 8.123 0.240 0.916 346 1HB CYS1004 1HB CYS1004 8.137 2.680 0.516 347 2HB CYS1004 2HB CYS1004 9.372 2.866 1.757 348 H ILE1005 H ILE1005 9.126 -1.541 1.672 349 HA ILE1005 HA ILE1005 11.339 -1.162 3.583 350 HB ILE1005 HB ILE1005 10.816 -3.399 4.497 351 1HG1 ILE1005 2HG1 ILE1005 8.287 -3.187 2.847 352 2HG1 ILE1005 1HG1 ILE1005 9.639 -4.249 2.470 353 1HG2 ILE1005 1HG2 ILE1005 9.994 -1.408 5.621 354 2HG2 ILE1005 2HG2 ILE1005 8.825 -2.722 5.764 355 3HG2 ILE1005 3HG2 ILE1005 8.547 -1.416 4.612 356 1HD1 ILE1005 1HD1 ILE1005 9.288 -5.447 4.560 357 2HD1 ILE1005 2HD1 ILE1005 7.837 -5.455 3.559 358 3HD1 ILE1005 3HD1 ILE1005 7.942 -4.376 4.950 359 H LEU1006 H LEU1006 13.128 -2.554 3.399 360 HA LEU1006 HA LEU1006 13.392 -3.872 0.785 361 1HB LEU1006 2HB LEU1006 15.417 -2.756 2.709 362 2HB LEU1006 1HB LEU1006 15.875 -3.844 1.413 363 HG LEU1006 HG LEU1006 14.432 -1.238 0.937 364 1HD1 LEU1006 1HD2 LEU1006 16.568 -0.776 2.015 365 2HD1 LEU1006 2HD2 LEU1006 16.605 -0.307 0.314 366 3HD1 LEU1006 3HD2 LEU1006 17.393 -1.796 0.838 367 1HD2 LEU1006 1HD1 LEU1006 15.987 -3.070 -0.885 368 2HD2 LEU1006 2HD1 LEU1006 15.258 -1.533 -1.347 369 3HD2 LEU1006 3HD1 LEU1006 14.234 -2.879 -0.849 370 H SER1007 H SER1007 13.398 -6.018 0.698 371 HA SER1007 HA SER1007 14.324 -7.551 3.015 372 1HB SER1007 2HB SER1007 12.391 -9.079 2.834 373 2HB SER1007 1HB SER1007 11.888 -7.439 3.240 374 HG SER1007 HG SER1007 11.947 -7.690 0.586 375 H GLY1008 H GLY1008 15.649 -7.019 0.570 376 1HA GLY1008 2HA GLY1008 16.637 -9.498 -0.121 377 2HA GLY1008 1HA GLY1008 15.333 -9.190 -1.257 378 H ASN1009 H ASN1009 15.503 -7.392 -2.687 379 HA ASN1009 HA ASN1009 17.954 -5.882 -2.790 380 1HB ASN1009 2HB ASN1009 18.631 -8.010 -3.848 381 2HB ASN1009 1HB ASN1009 17.326 -7.833 -5.016 382 1HD2 ASN1009 2HD2 ASN1009 20.421 -6.652 -3.972 383 2HD2 ASN1009 1HD2 ASN1009 20.782 -5.746 -5.399 384 H THR1010 H THR1010 14.724 -6.351 -3.448 385 HA THR1010 HA THR1010 14.640 -3.946 -5.147 386 HB THR1010 HB THR1010 12.761 -6.310 -5.326 387 HG1 THR1010 1HG THR1010 15.091 -5.616 -6.666 388 1HG2 THR1010 1HG2 THR1010 11.846 -5.143 -7.284 389 2HG2 THR1010 2HG2 THR1010 12.916 -3.778 -6.966 390 3HG2 THR1010 3HG2 THR1010 11.647 -4.192 -5.813 391 H ALA1011 H ALA1011 13.874 -2.347 -3.932 392 HA ALA1011 HA ALA1011 12.402 -2.625 -1.571 393 1HB ALA1011 1HB ALA1011 12.027 -0.225 -1.714 394 2HB ALA1011 2HB ALA1011 12.526 -0.234 -3.405 395 3HB ALA1011 3HB ALA1011 13.692 -0.621 -2.140 396 H HIS1012 H HIS1012 10.313 -2.939 -1.152 397 HA HIS1012 HA HIS1012 8.277 -2.169 -3.074 398 1HB HIS1012 2HB HIS1012 7.228 -4.378 -3.132 399 2HB HIS1012 1HB HIS1012 8.868 -4.456 -3.767 400 HD1 HIS1012 1HD HIS1012 6.699 -5.759 -1.071 401 HD2 HIS1012 2HD HIS1012 10.727 -5.812 -2.085 402 HE1 HIS1012 1HE HIS1012 7.728 -7.550 0.362 403 HE2 HIS1012 2HE HIS1012 10.178 -7.524 -0.226 404 H TRP1013 H TRP1013 6.042 -2.627 -2.150 405 HA TRP1013 HA TRP1013 6.029 -1.695 0.594 406 1HB TRP1013 2HB TRP1013 3.712 -2.201 -1.285 407 2HB TRP1013 1HB TRP1013 3.635 -1.346 0.252 408 HD1 TRP1013 HD TRP1013 4.513 -0.859 -3.389 409 HE1 TRP1013 1HE TRP1013 5.071 1.617 -3.807 410 HE3 TRP1013 3HE TRP1013 4.698 0.762 1.457 411 HZ2 TRP1013 2HZ TRP1013 5.528 3.951 -2.286 412 HZ3 TRP1013 3HZ TRP1013 5.204 3.131 1.889 413 HH2 TRP1013 HH TRP1013 5.610 4.691 0.056 414 H SER1014 H SER1014 4.890 -2.698 2.300 415 HA SER1014 HA SER1014 5.270 -5.546 2.277 416 1HB SER1014 1HB SER1014 4.691 -5.412 4.675 417 2HB SER1014 2HB SER1014 5.928 -4.235 4.233 418 HG SER1014 HG SER1014 4.325 -2.640 4.196 419 H THR1015 H THR1015 2.844 -3.839 1.056 420 HA THR1015 HA THR1015 0.614 -5.270 2.234 421 HB THR1015 HB THR1015 -0.757 -4.031 0.558 422 HG1 THR1015 1HG THR1015 1.705 -2.735 -0.063 423 1HG2 THR1015 1HG2 THR1015 -0.453 -1.822 1.579 424 2HG2 THR1015 2HG2 THR1015 1.106 -2.337 2.225 425 3HG2 THR1015 3HG2 THR1015 -0.379 -3.105 2.788 426 H LYS1016 H LYS1016 -0.448 -6.962 1.378 427 HA LYS1016 HA LYS1016 0.532 -8.092 -1.141 428 1HB LYS1016 1HB LYS1016 -0.542 -10.144 -0.491 429 2HB LYS1016 2HB LYS1016 0.386 -9.556 0.879 430 1HG LYS1016 2HG LYS1016 -2.548 -8.997 0.606 431 2HG LYS1016 1HG LYS1016 -1.941 -10.485 1.333 432 1HD LYS1016 1HD LYS1016 -0.659 -9.130 2.954 433 2HD LYS1016 2HD LYS1016 -1.370 -7.672 2.259 434 1HE LYS1016 1HE LYS1016 -2.856 -9.929 3.599 435 2HE LYS1016 2HE LYS1016 -2.567 -8.323 4.268 436 1HZ LYS1016 1HZ LYS1016 -4.792 -8.510 3.355 437 2HZ LYS1016 2HZ LYS1016 -4.167 -8.919 1.838 438 3HZ LYS1016 3HZ LYS1016 -3.887 -7.379 2.478 439 HA PRO1017 HA PRO1017 -2.946 -7.316 -3.814 440 1HB PRO1017 1HB PRO1017 -3.734 -10.167 -3.326 441 2HB PRO1017 2HB PRO1017 -3.689 -9.262 -4.845 442 1HG PRO1017 1HG PRO1017 -1.733 -10.964 -4.198 443 2HG PRO1017 2HG PRO1017 -1.386 -9.439 -5.032 444 1HD PRO1017 2HD PRO1017 -0.838 -10.220 -2.233 445 2HD PRO1017 1HD PRO1017 -0.032 -9.007 -3.247 446 HA PRO1018 HA PRO1018 -5.553 -6.666 -0.166 447 1HB PRO1018 2HB PRO1018 -6.649 -4.327 -0.952 448 2HB PRO1018 1HB PRO1018 -4.997 -4.438 -0.332 449 1HG PRO1018 2HG PRO1018 -5.952 -4.299 -3.168 450 2HG PRO1018 1HG PRO1018 -4.603 -3.441 -2.401 451 1HD PRO1018 2HD PRO1018 -4.259 -5.663 -3.924 452 2HD PRO1018 1HD PRO1018 -3.193 -5.253 -2.567 453 H ILE1019 H ILE1019 -7.756 -6.782 0.312 454 HA ILE1019 HA ILE1019 -9.558 -7.237 -1.978 455 HB ILE1019 HB ILE1019 -9.907 -8.613 0.675 456 1HG1 ILE1019 2HG1 ILE1019 -8.490 -9.731 -1.755 457 2HG1 ILE1019 1HG1 ILE1019 -7.687 -9.216 -0.275 458 1HG2 ILE1019 1HG2 ILE1019 -11.262 -10.166 -0.656 459 2HG2 ILE1019 2HG2 ILE1019 -10.925 -9.210 -2.100 460 3HG2 ILE1019 3HG2 ILE1019 -11.855 -8.508 -0.776 461 1HD1 ILE1019 1HD1 ILE1019 -9.686 -11.452 -0.508 462 2HD1 ILE1019 2HD1 ILE1019 -8.877 -10.936 0.973 463 3HD1 ILE1019 3HD1 ILE1019 -7.938 -11.626 -0.351 464 H CYS1020 H CYS1020 -11.886 -6.913 -1.403 465 HA CYS1020 HA CYS1020 -12.237 -4.907 0.720 466 1HB CYS1020 1HB CYS1020 -13.384 -4.809 -2.076 467 2HB CYS1020 2HB CYS1020 -13.847 -3.723 -0.770 468 H GLN1021 H GLN1021 -13.821 -5.361 2.099 469 HA GLN1021 HA GLN1021 -15.888 -7.291 1.274 470 1HB GLN1021 2HB GLN1021 -14.193 -8.363 2.718 471 2HB GLN1021 1HB GLN1021 -14.513 -7.166 3.964 472 1HG GLN1021 2HG GLN1021 -16.806 -7.969 4.159 473 2HG GLN1021 1HG GLN1021 -16.497 -9.162 2.899 474 1HE2 GLN1021 1HE2 GLN1021 -14.151 -8.293 5.330 475 2HE2 GLN1021 2HE2 GLN1021 -14.186 -9.796 6.182 476 H ARG1022 H ARG1022 -17.927 -6.691 1.660 477 HA ARG1022 HA ARG1022 -18.605 -4.125 2.530 478 1HB ARG1022 1HB ARG1022 -20.062 -5.525 1.118 479 2HB ARG1022 2HB ARG1022 -20.344 -6.599 2.481 480 1HG ARG1022 2HG ARG1022 -21.417 -4.778 3.703 481 2HG ARG1022 1HG ARG1022 -21.129 -3.695 2.338 482 1HD ARG1022 1HD ARG1022 -22.504 -5.144 0.914 483 2HD ARG1022 2HD ARG1022 -22.810 -6.199 2.293 484 HE ARG1022 HE ARG1022 -23.564 -3.573 2.951 485 1HH1 ARG1022 1HH1 ARG1022 -24.551 -6.223 0.915 486 2HH1 ARG1022 2HH1 ARG1022 -26.225 -5.778 0.929 487 1HH2 ARG1022 1HH2 ARG1022 -25.765 -2.979 2.972 488 2HH2 ARG1022 2HH2 ARG1022 -26.915 -3.935 2.096 489 H ILE1023 H ILE1023 -18.566 -3.268 4.484 490 HA ILE1023 HA ILE1023 -17.982 -4.780 6.797 491 HB ILE1023 HB ILE1023 -18.983 -1.934 6.670 492 1HG1 ILE1023 2HG1 ILE1023 -16.138 -2.970 6.692 493 2HG1 ILE1023 1HG1 ILE1023 -16.967 -2.348 5.269 494 1HG2 ILE1023 1HG2 ILE1023 -19.119 -2.911 8.899 495 2HG2 ILE1023 2HG2 ILE1023 -17.853 -1.686 8.827 496 3HG2 ILE1023 3HG2 ILE1023 -17.425 -3.395 8.800 497 1HD1 ILE1023 1HD1 ILE1023 -15.491 -0.681 6.217 498 2HD1 ILE1023 2HD1 ILE1023 -16.331 -0.792 7.763 499 3HD1 ILE1023 3HD1 ILE1023 -17.173 -0.168 6.345 500 HA PRO1024 HA PRO1024 -22.640 -3.689 8.043 501 1HB PRO1024 1HB PRO1024 -23.768 -3.756 5.293 502 2HB PRO1024 2HB PRO1024 -24.218 -2.745 6.670 503 1HG PRO1024 1HG PRO1024 -22.830 -1.731 4.635 504 2HG PRO1024 2HG PRO1024 -22.482 -1.249 6.306 505 1HD PRO1024 2HD PRO1024 -20.988 -3.125 4.520 506 2HD PRO1024 1HD PRO1024 -20.366 -1.952 5.698 Start of MODEL 5 1 1H GLU 957 1HT GLU 957 20.766 3.888 -5.382 2 2H GLU 957 2HT GLU 957 22.369 3.656 -4.898 3 3H GLU 957 3HT GLU 957 21.819 2.986 -6.351 4 HA GLU 957 HA GLU 957 22.043 5.879 -5.759 5 1HB GLU 957 2HB GLU 957 23.702 4.100 -7.558 6 2HB GLU 957 1HB GLU 957 23.862 5.846 -7.429 7 1HG GLU 957 2HG GLU 957 24.498 5.617 -5.083 8 2HG GLU 957 1HG GLU 957 24.338 3.866 -5.213 9 H ALA 958 H ALA 958 21.043 3.315 -7.925 10 HA ALA 958 HA ALA 958 19.269 5.147 -9.294 11 1HB ALA 958 1HB ALA 958 20.080 4.624 -11.533 12 2HB ALA 958 2HB ALA 958 21.387 3.660 -10.846 13 3HB ALA 958 3HB ALA 958 21.339 5.401 -10.574 14 H GLU 959 H GLU 959 19.437 2.526 -7.674 15 HA GLU 959 HA GLU 959 17.501 1.081 -9.338 16 1HB GLU 959 2HB GLU 959 19.661 -0.070 -9.563 17 2HB GLU 959 1HB GLU 959 19.769 -0.214 -7.813 18 1HG GLU 959 1HG GLU 959 19.059 -2.302 -8.805 19 2HG GLU 959 2HG GLU 959 17.780 -1.624 -7.798 20 H ALA 960 H ALA 960 18.837 1.731 -6.151 21 HA ALA 960 HA ALA 960 16.690 0.383 -4.773 22 1HB ALA 960 1HB ALA 960 17.758 1.193 -2.739 23 2HB ALA 960 2HB ALA 960 18.835 2.209 -3.696 24 3HB ALA 960 3HB ALA 960 18.942 0.453 -3.816 25 H LYS 961 H LYS 961 15.897 1.926 -2.771 26 HA LYS 961 HA LYS 961 14.491 3.589 -2.123 27 1HB LYS 961 1HB LYS 961 16.388 5.047 -2.794 28 2HB LYS 961 2HB LYS 961 15.699 5.158 -4.408 29 1HG LYS 961 2HG LYS 961 13.704 6.228 -3.482 30 2HG LYS 961 1HG LYS 961 14.406 6.126 -1.866 31 1HD LYS 961 2HD LYS 961 14.758 8.345 -2.731 32 2HD LYS 961 1HD LYS 961 16.309 7.506 -2.656 33 1HE LYS 961 1HE LYS 961 16.162 7.012 -5.045 34 2HE LYS 961 2HE LYS 961 14.606 7.838 -5.123 35 1HZ LYS 961 1HZ LYS 961 15.705 9.890 -4.471 36 2HZ LYS 961 2HZ LYS 961 16.394 9.264 -5.883 37 3HZ LYS 961 3HZ LYS 961 17.198 9.096 -4.404 38 H SER 962 H SER 962 12.523 4.749 -2.735 39 HA SER 962 HA SER 962 10.498 4.873 -3.754 40 1HB SER 962 1HB SER 962 11.751 5.931 -5.571 41 2HB SER 962 2HB SER 962 12.124 4.348 -6.254 42 HG SER 962 HG SER 962 10.346 5.287 -7.306 43 H CYS 963 H CYS 963 9.631 3.053 -2.754 44 HA CYS 963 HA CYS 963 9.895 0.415 -3.764 45 1HB CYS 963 2HB CYS 963 7.927 1.739 -1.910 46 2HB CYS 963 1HB CYS 963 7.745 0.056 -2.391 47 H LYS 964 H LYS 964 8.597 -0.773 -5.112 48 HA LYS 964 HA LYS 964 7.265 0.521 -7.207 49 1HB LYS 964 2HB LYS 964 6.968 -2.340 -6.271 50 2HB LYS 964 1HB LYS 964 6.462 -1.721 -7.837 51 1HG LYS 964 1HG LYS 964 9.300 -1.749 -6.829 52 2HG LYS 964 2HG LYS 964 8.595 -2.940 -7.926 53 1HD LYS 964 2HD LYS 964 8.152 -1.170 -9.560 54 2HD LYS 964 1HD LYS 964 8.864 0.017 -8.464 55 1HE LYS 964 1HE LYS 964 10.288 -2.345 -9.686 56 2HE LYS 964 2HE LYS 964 10.452 -0.664 -10.193 57 1HZ LYS 964 1HZ LYS 964 11.185 -1.741 -7.524 58 2HZ LYS 964 2HZ LYS 964 11.344 -0.130 -8.012 59 3HZ LYS 964 3HZ LYS 964 12.270 -1.334 -8.756 60 H THR 965 H THR 965 5.444 1.643 -7.075 61 HA THR 965 HA THR 965 3.682 1.629 -4.921 62 HB THR 965 HB THR 965 2.156 2.932 -6.308 63 HG1 THR 965 1HG THR 965 3.382 1.567 -8.309 64 1HG2 THR 965 1HG2 THR 965 3.687 4.728 -6.983 65 2HG2 THR 965 2HG2 THR 965 5.050 3.619 -6.837 66 3HG2 THR 965 3HG2 THR 965 4.122 4.067 -5.406 67 HA PRO 966 HA PRO 966 1.326 -2.060 -5.623 68 1HB PRO 966 2HB PRO 966 -0.766 -1.519 -3.980 69 2HB PRO 966 1HB PRO 966 0.827 -1.996 -3.380 70 1HG PRO 966 2HG PRO 966 -0.373 0.740 -3.603 71 2HG PRO 966 1HG PRO 966 0.553 0.032 -2.267 72 1HD PRO 966 2HD PRO 966 1.664 1.718 -4.066 73 2HD PRO 966 1HD PRO 966 2.578 0.396 -3.311 74 HA PRO 967 HA PRO 967 -1.606 -1.094 -8.796 75 1HB PRO 967 2HB PRO 967 -3.274 -3.262 -8.535 76 2HB PRO 967 1HB PRO 967 -1.720 -3.300 -9.375 77 1HG PRO 967 2HG PRO 967 -2.393 -4.159 -6.588 78 2HG PRO 967 1HG PRO 967 -1.349 -4.951 -7.783 79 1HD PRO 967 2HD PRO 967 -0.330 -3.512 -5.759 80 2HD PRO 967 1HD PRO 967 0.425 -3.518 -7.367 81 H ASP 968 H ASP 968 -3.597 -0.146 -9.043 82 HA ASP 968 HA ASP 968 -4.750 1.089 -6.839 83 1HB ASP 968 1HB ASP 968 -6.598 1.707 -8.378 84 2HB ASP 968 2HB ASP 968 -5.005 1.995 -9.072 85 HA PRO 969 HA PRO 969 -7.073 -2.343 -5.158 86 1HB PRO 969 2HB PRO 969 -8.330 -0.916 -3.202 87 2HB PRO 969 1HB PRO 969 -6.661 -1.483 -3.073 88 1HG PRO 969 2HG PRO 969 -7.692 1.223 -3.834 89 2HG PRO 969 1HG PRO 969 -6.338 0.799 -2.769 90 1HD PRO 969 1HD PRO 969 -5.964 1.596 -5.319 91 2HD PRO 969 2HD PRO 969 -4.907 0.402 -4.539 92 H VAL 970 H VAL 970 -9.081 -3.142 -5.510 93 HA VAL 970 HA VAL 970 -10.939 -1.807 -7.146 94 HB VAL 970 HB VAL 970 -10.811 -4.267 -6.962 95 1HG1 VAL 970 1HG1 VAL 970 -12.056 -3.828 -4.251 96 2HG1 VAL 970 2HG1 VAL 970 -10.454 -4.488 -4.580 97 3HG1 VAL 970 3HG1 VAL 970 -11.893 -5.390 -5.054 98 1HG2 VAL 970 1HG2 VAL 970 -12.807 -3.243 -7.893 99 2HG2 VAL 970 2HG2 VAL 970 -13.507 -3.100 -6.281 100 3HG2 VAL 970 3HG2 VAL 970 -13.228 -4.694 -6.983 101 H ASN 971 H ASN 971 -12.647 -0.525 -6.713 102 HA ASN 971 HA ASN 971 -13.772 1.090 -5.564 103 1HB ASN 971 1HB ASN 971 -14.046 -1.188 -3.591 104 2HB ASN 971 2HB ASN 971 -14.989 0.298 -3.543 105 1HD2 ASN 971 2HD2 ASN 971 -14.479 -2.722 -5.140 106 2HD2 ASN 971 1HD2 ASN 971 -15.897 -2.680 -6.125 107 H GLY 972 H GLY 972 -11.655 2.194 -5.332 108 1HA GLY 972 1HA GLY 972 -11.291 3.567 -3.080 109 2HA GLY 972 2HA GLY 972 -10.453 2.075 -2.681 110 H MET 973 H MET 973 -8.732 3.838 -2.464 111 HA MET 973 HA MET 973 -6.995 3.639 -4.739 112 1HB MET 973 1HB MET 973 -6.688 6.082 -5.024 113 2HB MET 973 2HB MET 973 -8.296 5.537 -5.485 114 1HG MET 973 2HG MET 973 -9.184 6.325 -3.360 115 2HG MET 973 1HG MET 973 -7.574 6.853 -2.877 116 1HE MET 973 1HE MET 973 -10.154 8.742 -2.837 117 2HE MET 973 2HE MET 973 -9.473 10.229 -3.495 118 3HE MET 973 3HE MET 973 -8.548 9.272 -2.340 119 H VAL 974 H VAL 974 -4.888 3.760 -4.144 120 HA VAL 974 HA VAL 974 -4.300 3.953 -1.332 121 HB VAL 974 HB VAL 974 -3.152 2.276 -2.667 122 1HG1 VAL 974 1HG1 VAL 974 -1.489 2.908 -4.353 123 2HG1 VAL 974 2HG1 VAL 974 -1.942 4.601 -4.161 124 3HG1 VAL 974 3HG1 VAL 974 -3.108 3.444 -4.803 125 1HG2 VAL 974 1HG2 VAL 974 -1.274 4.421 -1.682 126 2HG2 VAL 974 2HG2 VAL 974 -0.847 2.736 -1.973 127 3HG2 VAL 974 3HG2 VAL 974 -2.003 3.147 -0.706 128 H HIS 975 H HIS 975 -3.280 5.572 -0.262 129 HA HIS 975 HA HIS 975 -2.930 8.069 -1.767 130 1HB HIS 975 1HB HIS 975 -4.652 7.991 0.065 131 2HB HIS 975 2HB HIS 975 -3.335 7.753 1.211 132 HD1 HIS 975 1HD HIS 975 -3.106 9.902 2.425 133 HD2 HIS 975 2HD HIS 975 -3.615 10.460 -1.659 134 HE1 HIS 975 1HE HIS 975 -2.878 12.379 2.053 135 HE2 HIS 975 2HE HIS 975 -3.265 12.703 -0.416 136 H VAL 976 H VAL 976 -1.022 9.099 -1.805 137 HA VAL 976 HA VAL 976 1.224 7.915 -0.349 138 HB VAL 976 HB VAL 976 1.278 10.069 -2.469 139 1HG1 VAL 976 1HG1 VAL 976 3.658 9.500 -2.640 140 2HG1 VAL 976 2HG1 VAL 976 3.474 8.353 -1.314 141 3HG1 VAL 976 3HG1 VAL 976 3.240 10.077 -1.027 142 1HG2 VAL 976 1HG2 VAL 976 1.725 7.097 -2.732 143 2HG2 VAL 976 2HG2 VAL 976 1.999 8.291 -4.002 144 3HG2 VAL 976 3HG2 VAL 976 0.368 8.013 -3.389 145 H ILE 977 H ILE 977 0.875 8.697 1.729 146 HA ILE 977 HA ILE 977 0.111 11.306 2.389 147 HB ILE 977 HB ILE 977 1.746 9.409 4.078 148 1HG1 ILE 977 2HG1 ILE 977 -1.257 9.741 4.031 149 2HG1 ILE 977 1HG1 ILE 977 -0.413 8.488 3.125 150 1HG2 ILE 977 1HG2 ILE 977 0.749 10.616 5.969 151 2HG2 ILE 977 2HG2 ILE 977 -0.031 11.724 4.841 152 3HG2 ILE 977 3HG2 ILE 977 1.728 11.674 4.954 153 1HD1 ILE 977 1HD1 ILE 977 -1.302 7.635 5.217 154 2HD1 ILE 977 2HD1 ILE 977 -0.361 8.828 6.112 155 3HD1 ILE 977 3HD1 ILE 977 0.459 7.565 5.195 156 H THR 978 H THR 978 3.351 9.894 2.910 157 HA THR 978 HA THR 978 4.474 12.595 2.845 158 HB THR 978 HB THR 978 5.793 9.993 3.645 159 HG1 THR 978 1HG THR 978 4.206 11.809 4.999 160 1HG2 THR 978 1HG2 THR 978 6.703 12.855 3.976 161 2HG2 THR 978 2HG2 THR 978 7.400 11.667 2.875 162 3HG2 THR 978 3HG2 THR 978 7.526 11.434 4.617 163 H ASP 979 H ASP 979 5.631 9.415 1.720 164 HA ASP 979 HA ASP 979 5.937 10.278 -0.984 165 1HB ASP 979 2HB ASP 979 7.857 11.435 0.167 166 2HB ASP 979 1HB ASP 979 8.495 9.843 0.568 167 H ILE 980 H ILE 980 7.247 8.586 -2.248 168 HA ILE 980 HA ILE 980 6.355 5.964 -1.307 169 HB ILE 980 HB ILE 980 7.477 6.542 -4.040 170 1HG1 ILE 980 1HG1 ILE 980 4.589 6.827 -3.174 171 2HG1 ILE 980 2HG1 ILE 980 5.662 8.167 -3.562 172 1HG2 ILE 980 1HG2 ILE 980 6.048 4.649 -4.679 173 2HG2 ILE 980 2HG2 ILE 980 5.525 4.488 -3.002 174 3HG2 ILE 980 3HG2 ILE 980 7.212 4.204 -3.432 175 1HD1 ILE 980 1HD1 ILE 980 5.853 7.345 -5.853 176 2HD1 ILE 980 2HD1 ILE 980 4.178 7.674 -5.410 177 3HD1 ILE 980 3HD1 ILE 980 4.767 6.012 -5.461 178 H GLN 981 H GLN 981 8.783 7.355 -0.313 179 HA GLN 981 HA GLN 981 10.882 5.530 -1.250 180 1HB GLN 981 1HB GLN 981 12.453 7.060 -0.135 181 2HB GLN 981 2HB GLN 981 11.462 7.896 -1.323 182 1HG GLN 981 1HG GLN 981 9.995 8.661 0.529 183 2HG GLN 981 2HG GLN 981 11.129 7.937 1.667 184 1HE2 GLN 981 1HE2 GLN 981 12.088 9.509 -1.299 185 2HE2 GLN 981 2HE2 GLN 981 12.856 10.868 -0.559 186 H VAL 982 H VAL 982 12.542 5.169 0.717 187 HA VAL 982 HA VAL 982 11.119 3.470 2.532 188 HB VAL 982 HB VAL 982 14.050 4.204 2.561 189 1HG1 VAL 982 1HG1 VAL 982 13.275 3.209 4.649 190 2HG1 VAL 982 2HG1 VAL 982 14.326 2.095 3.773 191 3HG1 VAL 982 3HG1 VAL 982 12.579 1.855 3.756 192 1HG2 VAL 982 1HG2 VAL 982 14.383 2.117 1.306 193 2HG2 VAL 982 2HG2 VAL 982 13.427 3.290 0.401 194 3HG2 VAL 982 3HG2 VAL 982 12.635 1.924 1.186 195 H GLY 983 H GLY 983 10.808 3.690 4.716 196 1HA GLY 983 2HA GLY 983 11.091 4.749 6.826 197 2HA GLY 983 1HA GLY 983 11.714 6.168 5.999 198 H SER 984 H SER 984 9.190 5.409 4.163 199 HA SER 984 HA SER 984 7.449 7.291 5.563 200 1HB SER 984 1HB SER 984 6.241 7.465 3.443 201 2HB SER 984 2HB SER 984 7.968 7.704 3.181 202 HG SER 984 HG SER 984 7.247 5.091 2.974 203 H ARG 985 H ARG 985 5.025 6.842 5.282 204 HA ARG 985 HA ARG 985 4.317 4.026 5.396 205 1HB ARG 985 2HB ARG 985 4.961 4.578 7.711 206 2HB ARG 985 1HB ARG 985 3.789 5.887 7.720 207 1HG ARG 985 1HG ARG 985 1.979 4.270 7.427 208 2HG ARG 985 2HG ARG 985 3.158 2.957 7.427 209 1HD ARG 985 1HD ARG 985 3.840 3.575 9.696 210 2HD ARG 985 2HD ARG 985 2.654 4.880 9.695 211 HE ARG 985 HE ARG 985 1.368 2.442 9.125 212 1HH1 ARG 985 1HH1 ARG 985 2.908 4.133 11.755 213 2HH1 ARG 985 2HH1 ARG 985 1.969 3.347 12.980 214 1HH2 ARG 985 1HH2 ARG 985 0.127 1.404 10.731 215 2HH2 ARG 985 2HH2 ARG 985 0.388 1.797 12.397 216 H ILE 986 H ILE 986 2.967 4.271 3.657 217 HA ILE 986 HA ILE 986 0.979 6.376 3.612 218 HB ILE 986 HB ILE 986 0.266 5.412 1.482 219 1HG1 ILE 986 1HG1 ILE 986 2.383 3.309 1.998 220 2HG1 ILE 986 2HG1 ILE 986 0.645 3.037 2.065 221 1HG2 ILE 986 1HG2 ILE 986 2.108 6.991 1.481 222 2HG2 ILE 986 2HG2 ILE 986 2.348 5.773 0.228 223 3HG2 ILE 986 3HG2 ILE 986 3.259 5.680 1.736 224 1HD1 ILE 986 1HD1 ILE 986 0.466 3.568 -0.305 225 2HD1 ILE 986 2HD1 ILE 986 1.587 2.236 -0.021 226 3HD1 ILE 986 3HD1 ILE 986 2.205 3.851 -0.375 227 H THR 987 H THR 987 -1.328 5.648 2.975 228 HA THR 987 HA THR 987 -2.147 3.324 4.578 229 HB THR 987 HB THR 987 -4.051 4.604 5.490 230 HG1 THR 987 1HG THR 987 -3.379 6.362 3.658 231 1HG2 THR 987 1HG2 THR 987 -2.782 5.946 7.108 232 2HG2 THR 987 2HG2 THR 987 -1.354 5.833 6.079 233 3HG2 THR 987 3HG2 THR 987 -2.018 4.381 6.828 234 H TYR 988 H TYR 988 -3.750 2.122 3.715 235 HA TYR 988 HA TYR 988 -4.734 2.879 1.081 236 1HB TYR 988 2HB TYR 988 -5.073 0.311 2.647 237 2HB TYR 988 1HB TYR 988 -5.591 0.566 0.984 238 HD1 TYR 988 1HD TYR 988 -2.748 -0.042 3.188 239 HD2 TYR 988 2HD TYR 988 -3.944 0.740 -0.820 240 HE1 TYR 988 1HE TYR 988 -0.536 -0.763 2.394 241 HE2 TYR 988 2HE TYR 988 -1.734 0.021 -1.626 242 HH TYR 988 HH TYR 988 0.565 -0.188 -0.756 243 H SER 989 H SER 989 -6.833 3.302 0.579 244 HA SER 989 HA SER 989 -8.869 3.046 2.663 245 1HB SER 989 2HB SER 989 -8.289 5.626 1.188 246 2HB SER 989 1HB SER 989 -9.662 5.355 2.260 247 HG SER 989 HG SER 989 -7.939 4.789 3.861 248 H CYS 990 H CYS 990 -10.709 2.253 1.876 249 HA CYS 990 HA CYS 990 -10.951 1.730 -0.933 250 1HB CYS 990 2HB CYS 990 -12.916 1.251 1.318 251 2HB CYS 990 1HB CYS 990 -13.062 0.615 -0.317 252 H THR 991 H THR 991 -13.483 2.020 -1.676 253 HA THR 991 HA THR 991 -13.613 4.738 -2.366 254 HB THR 991 HB THR 991 -14.577 3.064 -3.826 255 HG1 THR 991 1HG THR 991 -16.404 4.210 -4.333 256 1HG2 THR 991 1HG2 THR 991 -16.659 1.902 -3.239 257 2HG2 THR 991 2HG2 THR 991 -16.595 2.611 -1.624 258 3HG2 THR 991 3HG2 THR 991 -15.348 1.476 -2.140 259 H THR 992 H THR 992 -15.123 2.906 0.176 260 HA THR 992 HA THR 992 -16.246 5.396 1.261 261 HB THR 992 HB THR 992 -17.682 2.735 1.175 262 HG1 THR 992 1HG THR 992 -17.576 4.307 -0.741 263 1HG2 THR 992 1HG2 THR 992 -18.537 5.387 2.345 264 2HG2 THR 992 2HG2 THR 992 -18.127 3.934 3.257 265 3HG2 THR 992 3HG2 THR 992 -19.549 3.948 2.216 266 H GLY 993 H GLY 993 -15.563 1.972 1.977 267 1HA GLY 993 2HA GLY 993 -13.812 2.272 4.039 268 2HA GLY 993 1HA GLY 993 -15.381 2.464 4.808 269 H HIS 994 H HIS 994 -14.783 0.357 2.069 270 HA HIS 994 HA HIS 994 -16.007 -1.873 3.224 271 1HB HIS 994 1HB HIS 994 -13.948 -1.829 1.005 272 2HB HIS 994 2HB HIS 994 -15.054 -3.152 1.361 273 HD1 HIS 994 1HD HIS 994 -17.627 -1.400 1.746 274 HD2 HIS 994 2HD HIS 994 -14.976 -1.121 -1.443 275 HE1 HIS 994 1HE HIS 994 -18.944 -0.376 -0.136 276 HE2 HIS 994 2HE HIS 994 -17.340 -0.288 -2.077 277 H ARG 995 H ARG 995 -15.220 -3.736 4.181 278 HA ARG 995 HA ARG 995 -13.025 -3.415 5.921 279 1HB ARG 995 1HB ARG 995 -14.974 -4.883 6.377 280 2HB ARG 995 2HB ARG 995 -14.416 -5.979 5.120 281 1HG ARG 995 2HG ARG 995 -13.776 -6.860 7.246 282 2HG ARG 995 1HG ARG 995 -12.322 -6.309 6.408 283 1HD ARG 995 2HD ARG 995 -12.271 -5.656 8.754 284 2HD ARG 995 1HD ARG 995 -12.356 -4.239 7.708 285 HE ARG 995 HE ARG 995 -14.955 -5.001 8.480 286 1HH1 ARG 995 1HH1 ARG 995 -12.057 -3.571 9.783 287 2HH1 ARG 995 2HH1 ARG 995 -12.896 -2.662 10.994 288 1HH2 ARG 995 1HH2 ARG 995 -16.068 -3.807 10.071 289 2HH2 ARG 995 2HH2 ARG 995 -15.176 -2.796 11.158 290 H LEU 996 H LEU 996 -10.971 -3.330 5.271 291 HA LEU 996 HA LEU 996 -10.091 -4.248 2.762 292 1HB LEU 996 1HB LEU 996 -9.083 -2.424 4.272 293 2HB LEU 996 2HB LEU 996 -8.274 -3.738 5.101 294 HG LEU 996 HG LEU 996 -7.237 -4.389 2.913 295 1HD1 LEU 996 1HD1 LEU 996 -7.250 -2.767 1.099 296 2HD1 LEU 996 2HD1 LEU 996 -8.371 -1.749 2.002 297 3HD1 LEU 996 3HD1 LEU 996 -8.882 -3.340 1.439 298 1HD2 LEU 996 1HD2 LEU 996 -5.593 -2.581 2.919 299 2HD2 LEU 996 2HD2 LEU 996 -6.003 -3.094 4.555 300 3HD2 LEU 996 3HD2 LEU 996 -6.678 -1.600 3.904 301 H ILE 997 H ILE 997 -8.606 -5.919 2.239 302 HA ILE 997 HA ILE 997 -8.443 -8.093 4.217 303 HB ILE 997 HB ILE 997 -8.143 -8.217 1.214 304 1HG1 ILE 997 1HG1 ILE 997 -10.239 -9.368 3.070 305 2HG1 ILE 997 2HG1 ILE 997 -10.462 -7.984 2.006 306 1HG2 ILE 997 1HG2 ILE 997 -6.608 -9.766 2.290 307 2HG2 ILE 997 2HG2 ILE 997 -7.930 -10.644 1.521 308 3HG2 ILE 997 3HG2 ILE 997 -7.924 -10.414 3.269 309 1HD1 ILE 997 1HD1 ILE 997 -11.452 -9.998 1.077 310 2HD1 ILE 997 2HD1 ILE 997 -9.881 -10.799 1.126 311 3HD1 ILE 997 3HD1 ILE 997 -10.132 -9.410 0.066 312 H GLY 998 H GLY 998 -6.545 -8.458 5.131 313 1HA GLY 998 2HA GLY 998 -4.144 -8.680 5.064 314 2HA GLY 998 1HA GLY 998 -4.114 -7.465 3.796 315 H HIS 999 H HIS 999 -3.621 -5.449 4.365 316 HA HIS 999 HA HIS 999 -4.049 -4.579 7.123 317 1HB HIS 999 2HB HIS 999 -1.496 -5.239 5.915 318 2HB HIS 999 1HB HIS 999 -1.541 -3.569 6.456 319 HD1 HIS 999 1HD HIS 999 -1.896 -3.176 9.032 320 HD2 HIS 999 2HD HIS 999 -1.367 -7.142 7.913 321 HE1 HIS 999 1HE HIS 999 -1.407 -4.416 11.164 322 HE2 HIS 999 2HE HIS 999 -1.005 -6.799 10.451 323 H SER1000 H SER1000 -4.888 -2.586 7.175 324 HA SER1000 HA SER1000 -4.890 -0.856 4.883 325 1HB SER1000 1HB SER1000 -6.770 -0.879 6.477 326 2HB SER1000 2HB SER1000 -5.699 -0.288 7.746 327 HG SER1000 HG SER1000 -6.708 1.047 5.498 328 H SER1001 H SER1001 -2.277 -1.486 5.482 329 HA SER1001 HA SER1001 -1.123 1.107 5.686 330 1HB SER1001 1HB SER1001 -1.444 0.707 8.083 331 2HB SER1001 2HB SER1001 -0.583 -0.827 7.954 332 HG SER1001 HG SER1001 1.287 0.300 7.447 333 H ALA1002 H ALA1002 1.264 1.027 5.440 334 HA ALA1002 HA ALA1002 2.434 -1.483 4.626 335 1HB ALA1002 1HB ALA1002 1.992 0.675 2.565 336 2HB ALA1002 2HB ALA1002 1.167 -0.883 2.623 337 3HB ALA1002 3HB ALA1002 2.905 -0.816 2.328 338 H GLU1003 H GLU1003 4.707 -1.314 4.153 339 HA GLU1003 HA GLU1003 5.945 1.251 4.859 340 1HB GLU1003 2HB GLU1003 5.922 -0.152 6.881 341 2HB GLU1003 1HB GLU1003 6.751 -1.430 6.003 342 1HG GLU1003 1HG GLU1003 8.687 0.022 5.703 343 2HG GLU1003 2HG GLU1003 7.854 1.313 6.568 344 H CYS1004 H CYS1004 7.639 1.794 3.611 345 HA CYS1004 HA CYS1004 8.200 0.154 1.322 346 1HB CYS1004 1HB CYS1004 8.026 2.596 1.124 347 2HB CYS1004 2HB CYS1004 9.415 2.786 2.190 348 H ILE1005 H ILE1005 9.283 -1.674 1.976 349 HA ILE1005 HA ILE1005 12.006 -1.226 3.010 350 HB ILE1005 HB ILE1005 11.879 -3.500 4.022 351 1HG1 ILE1005 2HG1 ILE1005 8.916 -3.237 3.459 352 2HG1 ILE1005 1HG1 ILE1005 10.006 -4.330 2.612 353 1HG2 ILE1005 1HG2 ILE1005 11.581 -1.498 5.373 354 2HG2 ILE1005 2HG2 ILE1005 10.561 -2.809 5.964 355 3HG2 ILE1005 3HG2 ILE1005 9.854 -1.500 5.017 356 1HD1 ILE1005 1HD1 ILE1005 8.729 -5.500 4.307 357 2HD1 ILE1005 2HD1 ILE1005 9.355 -4.414 5.547 358 3HD1 ILE1005 3HD1 ILE1005 10.447 -5.508 4.700 359 H LEU1006 H LEU1006 13.657 -2.191 1.956 360 HA LEU1006 HA LEU1006 13.117 -3.245 -0.660 361 1HB LEU1006 1HB LEU1006 15.727 -2.942 0.827 362 2HB LEU1006 2HB LEU1006 15.574 -3.373 -0.865 363 HG LEU1006 HG LEU1006 14.332 -1.125 -1.116 364 1HD1 LEU1006 1HD1 LEU1006 14.024 -0.679 1.257 365 2HD1 LEU1006 2HD1 LEU1006 14.986 0.587 0.496 366 3HD1 LEU1006 3HD1 LEU1006 15.772 -0.642 1.487 367 1HD2 LEU1006 1HD2 LEU1006 17.284 -1.202 -0.511 368 2HD2 LEU1006 2HD2 LEU1006 16.451 0.065 -1.413 369 3HD2 LEU1006 3HD2 LEU1006 16.527 -1.574 -2.059 370 H SER1007 H SER1007 13.523 -4.565 2.436 371 HA SER1007 HA SER1007 13.710 -6.680 3.252 372 1HB SER1007 2HB SER1007 12.405 -8.379 2.084 373 2HB SER1007 1HB SER1007 11.550 -6.837 2.060 374 HG SER1007 HG SER1007 13.147 -7.849 -0.056 375 H GLY1008 H GLY1008 15.901 -5.651 1.451 376 1HA GLY1008 1HA GLY1008 17.906 -7.275 1.611 377 2HA GLY1008 2HA GLY1008 16.967 -8.206 0.455 378 H ASN1009 H ASN1009 16.270 -6.916 -1.530 379 HA ASN1009 HA ASN1009 18.022 -4.754 -2.297 380 1HB ASN1009 1HB ASN1009 18.991 -5.934 -4.233 381 2HB ASN1009 2HB ASN1009 19.477 -6.672 -2.710 382 1HD2 ASN1009 2HD2 ASN1009 18.661 -8.687 -2.144 383 2HD2 ASN1009 1HD2 ASN1009 17.913 -9.730 -3.301 384 H THR1010 H THR1010 15.094 -5.828 -2.176 385 HA THR1010 HA THR1010 14.339 -4.699 -4.785 386 HB THR1010 HB THR1010 13.929 -7.024 -5.057 387 HG1 THR1010 1HG THR1010 11.347 -6.682 -4.480 388 1HG2 THR1010 1HG2 THR1010 14.050 -7.710 -2.716 389 2HG2 THR1010 2HG2 THR1010 12.594 -8.348 -3.480 390 3HG2 THR1010 3HG2 THR1010 12.487 -6.954 -2.403 391 H ALA1011 H ALA1011 13.508 -2.772 -4.280 392 HA ALA1011 HA ALA1011 12.321 -2.181 -1.771 393 1HB ALA1011 1HB ALA1011 11.849 0.011 -2.719 394 2HB ALA1011 2HB ALA1011 12.235 -0.592 -4.332 395 3HB ALA1011 3HB ALA1011 13.495 -0.497 -3.101 396 H HIS1012 H HIS1012 10.401 -2.897 -1.145 397 HA HIS1012 HA HIS1012 8.096 -2.386 -2.834 398 1HB HIS1012 2HB HIS1012 7.179 -4.605 -2.677 399 2HB HIS1012 1HB HIS1012 8.802 -4.734 -3.346 400 HD1 HIS1012 1HD HIS1012 6.700 -5.866 -0.556 401 HD2 HIS1012 2HD HIS1012 10.747 -5.781 -1.495 402 HE1 HIS1012 1HE HIS1012 7.798 -7.457 1.053 403 HE2 HIS1012 2HE HIS1012 10.231 -7.462 0.401 404 H TRP1013 H TRP1013 6.044 -3.183 -1.491 405 HA TRP1013 HA TRP1013 6.338 -1.926 1.130 406 1HB TRP1013 2HB TRP1013 3.845 -2.669 -0.417 407 2HB TRP1013 1HB TRP1013 3.879 -1.787 1.108 408 HD1 TRP1013 HD TRP1013 4.413 -1.333 -2.623 409 HE1 TRP1013 1HE TRP1013 4.686 1.174 -3.134 410 HE3 TRP1013 3HE TRP1013 4.750 0.441 2.160 411 HZ2 TRP1013 2HZ TRP1013 5.000 3.585 -1.703 412 HZ3 TRP1013 3HZ TRP1013 5.037 2.861 2.502 413 HH2 TRP1013 HH TRP1013 5.160 4.399 0.610 414 H SER1014 H SER1014 5.731 -2.898 3.046 415 HA SER1014 HA SER1014 6.354 -5.654 3.160 416 1HB SER1014 1HB SER1014 6.967 -4.110 4.959 417 2HB SER1014 2HB SER1014 5.263 -3.832 5.316 418 HG SER1014 HG SER1014 6.133 -5.382 6.721 419 H THR1015 H THR1015 3.507 -4.211 2.318 420 HA THR1015 HA THR1015 1.948 -6.549 3.206 421 HB THR1015 HB THR1015 -0.045 -5.121 3.386 422 HG1 THR1015 1HG THR1015 0.013 -3.133 2.670 423 1HG2 THR1015 1HG2 THR1015 2.285 -4.144 5.043 424 2HG2 THR1015 2HG2 THR1015 1.282 -5.552 5.393 425 3HG2 THR1015 3HG2 THR1015 0.579 -3.936 5.443 426 H LYS1016 H LYS1016 1.154 -7.691 1.582 427 HA LYS1016 HA LYS1016 1.420 -7.014 -1.118 428 1HB LYS1016 2HB LYS1016 0.094 -8.966 -1.599 429 2HB LYS1016 1HB LYS1016 1.148 -9.328 -0.240 430 1HG LYS1016 2HG LYS1016 -1.708 -8.470 0.120 431 2HG LYS1016 1HG LYS1016 -1.238 -10.158 -0.094 432 1HD LYS1016 2HD LYS1016 -0.191 -8.340 2.075 433 2HD LYS1016 1HD LYS1016 -1.497 -9.508 2.283 434 1HE LYS1016 2HE LYS1016 0.034 -11.321 1.677 435 2HE LYS1016 1HE LYS1016 1.339 -10.151 1.481 436 1HZ LYS1016 1HZ LYS1016 1.129 -9.584 3.823 437 2HZ LYS1016 2HZ LYS1016 1.449 -11.233 3.632 438 3HZ LYS1016 3HZ LYS1016 -0.116 -10.714 4.009 439 HA PRO1017 HA PRO1017 -1.852 -4.314 -2.297 440 1HB PRO1017 1HB PRO1017 -2.632 -6.418 -4.266 441 2HB PRO1017 2HB PRO1017 -2.348 -4.692 -4.518 442 1HG PRO1017 2HG PRO1017 -0.522 -6.480 -5.253 443 2HG PRO1017 1HG PRO1017 -0.037 -4.940 -4.519 444 1HD PRO1017 1HD PRO1017 -0.095 -7.675 -3.331 445 2HD PRO1017 2HD PRO1017 1.034 -6.337 -3.036 446 HA PRO1018 HA PRO1018 -5.038 -6.448 0.122 447 1HB PRO1018 2HB PRO1018 -6.148 -4.239 1.185 448 2HB PRO1018 1HB PRO1018 -4.615 -4.894 1.773 449 1HG PRO1018 1HG PRO1018 -5.109 -2.609 -0.102 450 2HG PRO1018 2HG PRO1018 -3.967 -2.718 1.250 451 1HD PRO1018 1HD PRO1018 -3.241 -3.073 -1.352 452 2HD PRO1018 2HD PRO1018 -2.412 -3.861 0.005 453 H ILE1019 H ILE1019 -7.418 -6.320 0.212 454 HA ILE1019 HA ILE1019 -8.574 -5.115 -2.220 455 HB ILE1019 HB ILE1019 -9.573 -7.688 -1.022 456 1HG1 ILE1019 1HG1 ILE1019 -7.225 -8.029 -1.680 457 2HG1 ILE1019 2HG1 ILE1019 -8.320 -8.904 -2.745 458 1HG2 ILE1019 1HG2 ILE1019 -9.908 -6.432 -3.740 459 2HG2 ILE1019 2HG2 ILE1019 -11.119 -6.496 -2.461 460 3HG2 ILE1019 3HG2 ILE1019 -10.579 -7.983 -3.239 461 1HD1 ILE1019 1HD1 ILE1019 -6.976 -6.285 -3.364 462 2HD1 ILE1019 2HD1 ILE1019 -8.078 -7.157 -4.430 463 3HD1 ILE1019 3HD1 ILE1019 -6.524 -7.868 -3.996 464 H CYS1020 H CYS1020 -10.952 -4.793 -2.071 465 HA CYS1020 HA CYS1020 -11.662 -3.938 0.655 466 1HB CYS1020 1HB CYS1020 -12.537 -2.852 -2.028 467 2HB CYS1020 2HB CYS1020 -13.206 -2.327 -0.486 468 H GLN1021 H GLN1021 -13.187 -5.068 1.635 469 HA GLN1021 HA GLN1021 -15.151 -6.526 -0.002 470 1HB GLN1021 2HB GLN1021 -13.783 -7.941 1.467 471 2HB GLN1021 1HB GLN1021 -14.297 -7.001 2.861 472 1HG GLN1021 1HG GLN1021 -15.513 -9.085 2.741 473 2HG GLN1021 2HG GLN1021 -16.601 -7.719 2.500 474 1HE2 GLN1021 1HE2 GLN1021 -14.412 -8.869 0.041 475 2HE2 GLN1021 2HE2 GLN1021 -15.621 -9.503 -1.017 476 H ARG1022 H ARG1022 -16.987 -5.431 -0.206 477 HA ARG1022 HA ARG1022 -17.791 -3.274 1.359 478 1HB ARG1022 1HB ARG1022 -18.649 -3.701 -0.899 479 2HB ARG1022 2HB ARG1022 -19.513 -5.115 -0.311 480 1HG ARG1022 2HG ARG1022 -20.914 -3.716 1.084 481 2HG ARG1022 1HG ARG1022 -20.013 -2.284 0.583 482 1HD ARG1022 2HD ARG1022 -21.619 -4.079 -1.230 483 2HD ARG1022 1HD ARG1022 -22.124 -2.498 -0.637 484 HE ARG1022 HE ARG1022 -19.625 -2.368 -1.997 485 1HH1 ARG1022 1HH1 ARG1022 -23.069 -2.552 -2.495 486 2HH1 ARG1022 2HH1 ARG1022 -23.016 -1.783 -4.046 487 1HH2 ARG1022 1HH2 ARG1022 -19.546 -1.355 -4.038 488 2HH2 ARG1022 2HH2 ARG1022 -21.013 -1.103 -4.923 489 H ILE1023 H ILE1023 -18.896 -3.053 3.207 490 HA ILE1023 HA ILE1023 -19.337 -5.390 4.826 491 HB ILE1023 HB ILE1023 -19.982 -2.503 5.443 492 1HG1 ILE1023 2HG1 ILE1023 -17.543 -4.125 6.206 493 2HG1 ILE1023 1HG1 ILE1023 -17.579 -2.926 4.917 494 1HG2 ILE1023 1HG2 ILE1023 -19.938 -3.237 7.784 495 2HG2 ILE1023 2HG2 ILE1023 -19.687 -4.900 7.251 496 3HG2 ILE1023 3HG2 ILE1023 -21.192 -4.066 6.860 497 1HD1 ILE1023 1HD1 ILE1023 -18.093 -1.187 6.543 498 2HD1 ILE1023 2HD1 ILE1023 -16.594 -2.024 6.942 499 3HD1 ILE1023 3HD1 ILE1023 -18.071 -2.386 7.835 500 HA PRO1024 HA PRO1024 -23.555 -6.102 3.563 501 1HB PRO1024 2HB PRO1024 -23.732 -7.347 6.257 502 2HB PRO1024 1HB PRO1024 -24.133 -8.023 4.675 503 1HG PRO1024 2HG PRO1024 -21.919 -8.771 5.955 504 2HG PRO1024 1HG PRO1024 -21.925 -8.551 4.196 505 1HD PRO1024 1HD PRO1024 -20.839 -6.759 6.330 506 2HD PRO1024 2HD PRO1024 -20.181 -7.125 4.722 Start of MODEL 6 1 1H GLU 957 1HT GLU 957 22.937 -2.227 -9.150 2 2H GLU 957 2HT GLU 957 21.259 -2.173 -8.958 3 3H GLU 957 3HT GLU 957 21.961 -3.371 -9.924 4 HA GLU 957 HA GLU 957 21.247 -4.224 -7.769 5 1HB GLU 957 2HB GLU 957 23.237 -5.470 -7.303 6 2HB GLU 957 1HB GLU 957 23.181 -5.191 -9.037 7 1HG GLU 957 1HG GLU 957 24.814 -3.565 -7.104 8 2HG GLU 957 2HG GLU 957 25.430 -4.923 -8.044 9 H ALA 958 H ALA 958 22.210 -1.178 -7.614 10 HA ALA 958 HA ALA 958 22.298 -1.211 -4.701 11 1HB ALA 958 1HB ALA 958 24.389 0.218 -6.339 12 2HB ALA 958 2HB ALA 958 24.653 -1.234 -5.374 13 3HB ALA 958 3HB ALA 958 24.219 0.283 -4.585 14 H GLU 959 H GLU 959 20.124 -0.402 -5.118 15 HA GLU 959 HA GLU 959 20.087 2.485 -5.207 16 1HB GLU 959 2HB GLU 959 19.946 1.913 -7.592 17 2HB GLU 959 1HB GLU 959 18.559 0.882 -7.267 18 1HG GLU 959 1HG GLU 959 17.851 2.998 -8.193 19 2HG GLU 959 2HG GLU 959 17.281 2.829 -6.534 20 H ALA 960 H ALA 960 19.255 2.445 -3.146 21 HA ALA 960 HA ALA 960 16.738 1.026 -2.686 22 1HB ALA 960 1HB ALA 960 18.501 0.780 -1.007 23 2HB ALA 960 2HB ALA 960 17.071 1.561 -0.331 24 3HB ALA 960 3HB ALA 960 18.492 2.523 -0.742 25 H LYS 961 H LYS 961 15.515 2.439 -4.089 26 HA LYS 961 HA LYS 961 14.332 4.641 -2.705 27 1HB LYS 961 1HB LYS 961 16.474 5.610 -3.651 28 2HB LYS 961 2HB LYS 961 15.809 5.317 -5.251 29 1HG LYS 961 2HG LYS 961 13.951 6.812 -4.774 30 2HG LYS 961 1HG LYS 961 14.572 7.079 -3.144 31 1HD LYS 961 1HD LYS 961 16.051 7.751 -5.686 32 2HD LYS 961 2HD LYS 961 15.142 8.908 -4.712 33 1HE LYS 961 2HE LYS 961 17.531 7.306 -3.802 34 2HE LYS 961 1HE LYS 961 17.527 9.020 -4.213 35 1HZ LYS 961 1HZ LYS 961 15.999 7.773 -1.992 36 2HZ LYS 961 2HZ LYS 961 15.996 9.417 -2.385 37 3HZ LYS 961 3HZ LYS 961 17.415 8.686 -1.827 38 H SER 962 H SER 962 12.704 5.779 -4.196 39 HA SER 962 HA SER 962 10.767 5.562 -5.368 40 1HB SER 962 2HB SER 962 11.008 4.810 -7.691 41 2HB SER 962 1HB SER 962 12.349 5.857 -7.229 42 HG SER 962 HG SER 962 12.322 3.096 -7.704 43 H CYS 963 H CYS 963 9.660 4.242 -3.913 44 HA CYS 963 HA CYS 963 9.877 1.379 -4.034 45 1HB CYS 963 2HB CYS 963 7.819 3.100 -2.635 46 2HB CYS 963 1HB CYS 963 8.093 1.383 -2.360 47 H LYS 964 H LYS 964 8.575 -0.056 -5.046 48 HA LYS 964 HA LYS 964 6.988 0.769 -7.229 49 1HB LYS 964 2HB LYS 964 7.055 -1.900 -5.811 50 2HB LYS 964 1HB LYS 964 6.330 -1.604 -7.384 51 1HG LYS 964 2HG LYS 964 8.522 -0.992 -8.279 52 2HG LYS 964 1HG LYS 964 9.247 -1.302 -6.702 53 1HD LYS 964 1HD LYS 964 9.601 -3.217 -8.119 54 2HD LYS 964 2HD LYS 964 8.456 -3.646 -6.847 55 1HE LYS 964 1HE LYS 964 7.738 -4.529 -9.001 56 2HE LYS 964 2HE LYS 964 6.600 -3.324 -8.399 57 1HZ LYS 964 1HZ LYS 964 8.700 -2.850 -10.447 58 2HZ LYS 964 2HZ LYS 964 7.610 -1.692 -9.869 59 3HZ LYS 964 3HZ LYS 964 7.043 -3.019 -10.751 60 H THR 965 H THR 965 5.238 1.999 -6.842 61 HA THR 965 HA THR 965 3.655 1.964 -4.553 62 HB THR 965 HB THR 965 2.009 3.254 -5.817 63 HG1 THR 965 1HG THR 965 2.553 3.611 -8.118 64 1HG2 THR 965 1HG2 THR 965 4.849 3.985 -6.544 65 2HG2 THR 965 2HG2 THR 965 4.023 4.403 -5.043 66 3HG2 THR 965 3HG2 THR 965 3.465 5.077 -6.575 67 HA PRO 966 HA PRO 966 1.205 -1.695 -5.159 68 1HB PRO 966 2HB PRO 966 -0.641 -1.268 -3.240 69 2HB PRO 966 1HB PRO 966 1.027 -1.708 -2.859 70 1HG PRO 966 2HG PRO 966 -0.274 0.990 -2.836 71 2HG PRO 966 1HG PRO 966 0.831 0.273 -1.649 72 1HD PRO 966 2HD PRO 966 1.640 2.048 -3.545 73 2HD PRO 966 1HD PRO 966 2.697 0.780 -2.896 74 HA PRO 967 HA PRO 967 -2.091 -0.491 -7.861 75 1HB PRO 967 2HB PRO 967 -3.677 -2.710 -7.668 76 2HB PRO 967 1HB PRO 967 -2.195 -2.647 -8.625 77 1HG PRO 967 2HG PRO 967 -2.631 -3.752 -5.877 78 2HG PRO 967 1HG PRO 967 -1.691 -4.430 -7.220 79 1HD PRO 967 1HD PRO 967 -0.517 -3.141 -5.168 80 2HD PRO 967 2HD PRO 967 0.113 -3.036 -6.824 81 H ASP 968 H ASP 968 -3.771 0.816 -7.542 82 HA ASP 968 HA ASP 968 -4.845 1.342 -5.022 83 1HB ASP 968 1HB ASP 968 -6.530 2.698 -6.229 84 2HB ASP 968 2HB ASP 968 -4.893 2.993 -6.809 85 HA PRO 969 HA PRO 969 -7.642 -2.074 -4.396 86 1HB PRO 969 1HB PRO 969 -9.020 -0.067 -2.683 87 2HB PRO 969 2HB PRO 969 -8.487 -1.705 -2.292 88 1HG PRO 969 1HG PRO 969 -7.143 0.408 -1.393 89 2HG PRO 969 2HG PRO 969 -6.288 -1.047 -1.941 90 1HD PRO 969 2HD PRO 969 -6.650 1.577 -3.325 91 2HD PRO 969 1HD PRO 969 -5.241 0.497 -3.303 92 H VAL 970 H VAL 970 -9.606 -2.695 -5.189 93 HA VAL 970 HA VAL 970 -10.791 -1.196 -7.227 94 HB VAL 970 HB VAL 970 -10.952 -3.652 -7.069 95 1HG1 VAL 970 1HG1 VAL 970 -12.909 -3.098 -4.843 96 2HG1 VAL 970 2HG1 VAL 970 -11.332 -3.870 -4.681 97 3HG1 VAL 970 3HG1 VAL 970 -12.618 -4.672 -5.583 98 1HG2 VAL 970 1HG2 VAL 970 -13.281 -3.854 -7.808 99 2HG2 VAL 970 2HG2 VAL 970 -12.487 -2.450 -8.519 100 3HG2 VAL 970 3HG2 VAL 970 -13.614 -2.240 -7.179 101 H ASN 971 H ASN 971 -12.703 -0.052 -7.379 102 HA ASN 971 HA ASN 971 -14.454 1.255 -6.748 103 1HB ASN 971 1HB ASN 971 -14.228 -0.208 -4.110 104 2HB ASN 971 2HB ASN 971 -15.518 0.917 -4.525 105 1HD2 ASN 971 1HD2 ASN 971 -14.175 -2.228 -5.053 106 2HD2 ASN 971 2HD2 ASN 971 -15.517 -2.882 -5.923 107 H GLY 972 H GLY 972 -11.625 1.074 -4.709 108 1HA GLY 972 2HA GLY 972 -11.984 3.939 -4.081 109 2HA GLY 972 1HA GLY 972 -11.299 2.800 -2.932 110 H MET 973 H MET 973 -9.366 3.936 -2.741 111 HA MET 973 HA MET 973 -7.374 3.264 -4.669 112 1HB MET 973 1HB MET 973 -6.699 5.504 -5.314 113 2HB MET 973 2HB MET 973 -8.372 5.231 -5.779 114 1HG MET 973 1HG MET 973 -7.525 6.702 -3.296 115 2HG MET 973 2HG MET 973 -7.923 7.477 -4.828 116 1HE MET 973 1HE MET 973 -9.717 8.996 -3.567 117 2HE MET 973 2HE MET 973 -9.316 8.203 -2.043 118 3HE MET 973 3HE MET 973 -11.000 8.344 -2.547 119 H VAL 974 H VAL 974 -5.292 4.760 -4.043 120 HA VAL 974 HA VAL 974 -4.894 4.209 -1.211 121 HB VAL 974 HB VAL 974 -2.502 4.841 -1.724 122 1HG1 VAL 974 1HG2 VAL 974 -3.753 2.574 -3.265 123 2HG1 VAL 974 2HG2 VAL 974 -3.190 2.531 -1.594 124 3HG1 VAL 974 3HG2 VAL 974 -2.032 2.732 -2.910 125 1HG2 VAL 974 1HG1 VAL 974 -1.835 4.872 -4.084 126 2HG2 VAL 974 2HG1 VAL 974 -2.904 6.217 -3.687 127 3HG2 VAL 974 3HG1 VAL 974 -3.533 4.819 -4.557 128 H HIS 975 H HIS 975 -3.091 5.938 -0.344 129 HA HIS 975 HA HIS 975 -3.913 8.663 -0.922 130 1HB HIS 975 1HB HIS 975 -5.520 7.908 0.795 131 2HB HIS 975 2HB HIS 975 -4.178 7.492 1.857 132 HD1 HIS 975 1HD HIS 975 -6.204 10.356 0.659 133 HD2 HIS 975 2HD HIS 975 -2.815 9.716 2.975 134 HE1 HIS 975 1HE HIS 975 -5.784 12.531 1.850 135 HE2 HIS 975 2HE HIS 975 -3.683 12.144 3.185 136 H VAL 976 H VAL 976 -1.767 8.900 -1.640 137 HA VAL 976 HA VAL 976 0.513 8.334 -0.075 138 HB VAL 976 HB VAL 976 0.171 10.401 -2.254 139 1HG1 VAL 976 1HG2 VAL 976 2.678 9.216 -1.065 140 2HG1 VAL 976 2HG2 VAL 976 2.123 10.881 -0.889 141 3HG1 VAL 976 3HG2 VAL 976 2.614 10.278 -2.472 142 1HG2 VAL 976 1HG1 VAL 976 1.175 8.710 -3.714 143 2HG2 VAL 976 2HG1 VAL 976 -0.341 8.143 -3.013 144 3HG2 VAL 976 3HG1 VAL 976 1.197 7.567 -2.371 145 H ILE 977 H ILE 977 0.586 9.114 1.961 146 HA ILE 977 HA ILE 977 -0.589 11.492 2.844 147 HB ILE 977 HB ILE 977 1.735 10.020 4.091 148 1HG1 ILE 977 1HG1 ILE 977 -1.210 9.748 4.708 149 2HG1 ILE 977 2HG1 ILE 977 -0.350 8.668 3.615 150 1HG2 ILE 977 1HG2 ILE 977 -0.254 11.944 5.290 151 2HG2 ILE 977 2HG2 ILE 977 1.458 12.256 5.005 152 3HG2 ILE 977 3HG2 ILE 977 0.968 11.041 6.185 153 1HD1 ILE 977 1HD1 ILE 977 1.114 7.983 5.426 154 2HD1 ILE 977 2HD1 ILE 977 -0.580 7.705 5.833 155 3HD1 ILE 977 3HD1 ILE 977 0.280 9.081 6.526 156 H THR 978 H THR 978 2.681 10.829 1.694 157 HA THR 978 HA THR 978 3.118 13.673 1.309 158 HB THR 978 HB THR 978 5.024 12.055 3.012 159 HG1 THR 978 1HG THR 978 3.881 12.798 4.623 160 1HG2 THR 978 1HG2 THR 978 5.096 14.954 2.164 161 2HG2 THR 978 2HG2 THR 978 6.175 13.679 1.596 162 3HG2 THR 978 3HG2 THR 978 6.218 14.183 3.286 163 H ASP 979 H ASP 979 4.915 10.586 1.358 164 HA ASP 979 HA ASP 979 5.559 10.932 -1.459 165 1HB ASP 979 1HB ASP 979 7.981 10.434 -0.979 166 2HB ASP 979 2HB ASP 979 7.437 12.021 -0.445 167 H ILE 980 H ILE 980 7.389 8.904 -1.729 168 HA ILE 980 HA ILE 980 6.184 6.510 -0.583 169 HB ILE 980 HB ILE 980 6.164 5.577 -3.030 170 1HG1 ILE 980 1HG1 ILE 980 5.665 8.527 -3.491 171 2HG1 ILE 980 2HG1 ILE 980 7.098 7.650 -4.020 172 1HG2 ILE 980 1HG2 ILE 980 3.788 6.162 -3.212 173 2HG2 ILE 980 2HG2 ILE 980 4.003 7.391 -1.965 174 3HG2 ILE 980 3HG2 ILE 980 4.224 5.687 -1.570 175 1HD1 ILE 980 1HD1 ILE 980 4.280 7.137 -4.936 176 2HD1 ILE 980 2HD1 ILE 980 5.714 6.256 -5.464 177 3HD1 ILE 980 3HD1 ILE 980 5.541 7.968 -5.848 178 H GLN 981 H GLN 981 8.751 7.729 -0.288 179 HA GLN 981 HA GLN 981 10.566 5.996 -1.778 180 1HB GLN 981 2HB GLN 981 11.154 8.151 0.261 181 2HB GLN 981 1HB GLN 981 12.355 7.286 -0.688 182 1HG GLN 981 1HG GLN 981 11.419 8.224 -2.736 183 2HG GLN 981 2HG GLN 981 10.209 9.087 -1.787 184 1HE2 GLN 981 1HE2 GLN 981 10.900 11.088 -2.512 185 2HE2 GLN 981 2HE2 GLN 981 12.383 11.802 -1.985 186 H VAL 982 H VAL 982 12.567 5.481 -0.042 187 HA VAL 982 HA VAL 982 11.561 3.307 1.472 188 HB VAL 982 HB VAL 982 14.291 4.591 1.644 189 1HG1 VAL 982 1HG1 VAL 982 15.011 2.395 2.476 190 2HG1 VAL 982 2HG1 VAL 982 13.335 1.844 2.449 191 3HG1 VAL 982 3HG1 VAL 982 13.819 3.142 3.540 192 1HG2 VAL 982 1HG2 VAL 982 14.983 2.847 0.058 193 2HG2 VAL 982 2HG2 VAL 982 13.779 3.933 -0.636 194 3HG2 VAL 982 3HG2 VAL 982 13.303 2.327 -0.086 195 H GLY 983 H GLY 983 10.957 3.156 3.545 196 1HA GLY 983 1HA GLY 983 10.959 3.713 5.835 197 2HA GLY 983 2HA GLY 983 11.713 5.249 5.438 198 H SER 984 H SER 984 9.430 5.167 3.217 199 HA SER 984 HA SER 984 7.708 6.950 4.644 200 1HB SER 984 1HB SER 984 6.501 7.180 2.563 201 2HB SER 984 2HB SER 984 8.226 7.158 2.202 202 HG SER 984 HG SER 984 6.395 5.614 1.175 203 H ARG 985 H ARG 985 5.269 6.651 4.507 204 HA ARG 985 HA ARG 985 4.346 3.911 4.656 205 1HB ARG 985 1HB ARG 985 5.223 4.356 6.925 206 2HB ARG 985 2HB ARG 985 4.138 5.732 7.060 207 1HG ARG 985 1HG ARG 985 2.214 4.229 6.858 208 2HG ARG 985 2HG ARG 985 3.313 2.852 6.753 209 1HD ARG 985 1HD ARG 985 4.183 3.375 8.978 210 2HD ARG 985 2HD ARG 985 3.086 4.751 9.084 211 HE ARG 985 HE ARG 985 1.623 2.397 8.564 212 1HH1 ARG 985 1HH1 ARG 985 3.396 3.990 11.106 213 2HH1 ARG 985 2HH1 ARG 985 2.483 3.254 12.380 214 1HH2 ARG 985 1HH2 ARG 985 0.416 1.422 10.235 215 2HH2 ARG 985 2HH2 ARG 985 0.790 1.793 11.885 216 H ILE 986 H ILE 986 3.072 4.591 2.873 217 HA ILE 986 HA ILE 986 1.135 6.691 3.165 218 HB ILE 986 HB ILE 986 0.209 5.876 1.039 219 1HG1 ILE 986 1HG1 ILE 986 2.352 3.745 1.193 220 2HG1 ILE 986 2HG1 ILE 986 0.638 3.456 1.472 221 1HG2 ILE 986 1HG2 ILE 986 3.217 6.099 1.071 222 2HG2 ILE 986 2HG2 ILE 986 2.068 7.436 0.997 223 3HG2 ILE 986 3HG2 ILE 986 2.190 6.302 -0.349 224 1HD1 ILE 986 1HD1 ILE 986 1.295 2.791 -0.766 225 2HD1 ILE 986 2HD1 ILE 986 1.863 4.428 -1.097 226 3HD1 ILE 986 3HD1 ILE 986 0.148 4.131 -0.816 227 H THR 987 H THR 987 -1.237 5.852 2.373 228 HA THR 987 HA THR 987 -2.043 3.638 4.113 229 HB THR 987 HB THR 987 -3.879 5.002 5.080 230 HG1 THR 987 1HG THR 987 -2.824 6.862 3.350 231 1HG2 THR 987 1HG2 THR 987 -1.817 4.655 6.350 232 2HG2 THR 987 2HG2 THR 987 -2.494 6.251 6.672 233 3HG2 THR 987 3HG2 THR 987 -1.106 6.082 5.598 234 H TYR 988 H TYR 988 -4.074 2.736 3.624 235 HA TYR 988 HA TYR 988 -4.987 3.310 0.903 236 1HB TYR 988 2HB TYR 988 -5.639 0.960 2.694 237 2HB TYR 988 1HB TYR 988 -6.071 1.123 0.994 238 HD1 TYR 988 1HD TYR 988 -3.556 0.070 3.327 239 HD2 TYR 988 2HD TYR 988 -4.203 1.219 -0.718 240 HE1 TYR 988 1HE TYR 988 -1.430 -0.990 2.692 241 HE2 TYR 988 2HE TYR 988 -2.079 0.161 -1.364 242 HH TYR 988 HH TYR 988 0.053 -0.481 -0.311 243 H SER 989 H SER 989 -6.968 4.096 0.452 244 HA SER 989 HA SER 989 -8.453 5.108 2.753 245 1HB SER 989 2HB SER 989 -7.723 6.739 1.079 246 2HB SER 989 1HB SER 989 -8.603 5.865 -0.175 247 HG SER 989 HG SER 989 -9.927 6.806 2.127 248 H CYS 990 H CYS 990 -8.991 3.268 -0.228 249 HA CYS 990 HA CYS 990 -10.781 2.118 -1.030 250 1HB CYS 990 2HB CYS 990 -10.893 1.698 1.897 251 2HB CYS 990 1HB CYS 990 -12.370 1.332 1.012 252 H THR 991 H THR 991 -13.383 1.949 -0.603 253 HA THR 991 HA THR 991 -14.364 4.518 -1.274 254 HB THR 991 HB THR 991 -16.633 3.292 -0.956 255 HG1 THR 991 1HG THR 991 -16.094 1.490 0.153 256 1HG2 THR 991 1HG2 THR 991 -14.627 2.376 -3.016 257 2HG2 THR 991 2HG2 THR 991 -15.649 3.808 -3.130 258 3HG2 THR 991 3HG2 THR 991 -16.377 2.202 -3.140 259 H THR 992 H THR 992 -16.245 2.701 0.999 260 HA THR 992 HA THR 992 -15.780 4.699 3.092 261 HB THR 992 HB THR 992 -18.507 3.925 2.043 262 HG1 THR 992 1HG THR 992 -17.158 6.439 2.075 263 1HG2 THR 992 1HG2 THR 992 -17.752 5.756 4.325 264 2HG2 THR 992 2HG2 THR 992 -18.524 4.179 4.478 265 3HG2 THR 992 3HG2 THR 992 -19.382 5.509 3.700 266 H GLY 993 H GLY 993 -18.143 2.072 2.617 267 1HA GLY 993 1HA GLY 993 -17.354 1.019 5.243 268 2HA GLY 993 2HA GLY 993 -18.875 0.698 4.425 269 H HIS 994 H HIS 994 -15.460 0.374 3.463 270 HA HIS 994 HA HIS 994 -15.981 -2.478 2.940 271 1HB HIS 994 1HB HIS 994 -14.354 -0.567 1.253 272 2HB HIS 994 2HB HIS 994 -14.430 -2.307 1.002 273 HD1 HIS 994 1HD HIS 994 -17.158 0.314 1.488 274 HD2 HIS 994 2HD HIS 994 -16.044 -2.731 -1.112 275 HE1 HIS 994 1HE HIS 994 -18.976 0.211 -0.248 276 HE2 HIS 994 2HE HIS 994 -18.242 -1.587 -1.852 277 H ARG 995 H ARG 995 -14.463 -3.902 3.624 278 HA ARG 995 HA ARG 995 -12.293 -2.804 5.248 279 1HB ARG 995 1HB ARG 995 -13.832 -4.435 6.282 280 2HB ARG 995 2HB ARG 995 -13.361 -5.629 5.080 281 1HG ARG 995 2HG ARG 995 -12.208 -6.061 7.142 282 2HG ARG 995 1HG ARG 995 -11.048 -5.528 5.924 283 1HD ARG 995 2HD ARG 995 -10.607 -4.476 8.081 284 2HD ARG 995 1HD ARG 995 -11.070 -3.281 6.869 285 HE ARG 995 HE ARG 995 -13.371 -4.068 8.245 286 1HH1 ARG 995 1HH1 ARG 995 -10.393 -2.355 8.832 287 2HH1 ARG 995 2HH1 ARG 995 -11.062 -1.358 10.080 288 1HH2 ARG 995 1HH2 ARG 995 -14.261 -2.759 9.887 289 2HH2 ARG 995 2HH2 ARG 995 -13.260 -1.588 10.680 290 H LEU 996 H LEU 996 -10.146 -3.366 4.976 291 HA LEU 996 HA LEU 996 -9.453 -4.200 2.279 292 1HB LEU 996 2HB LEU 996 -8.443 -2.187 3.418 293 2HB LEU 996 1HB LEU 996 -7.604 -3.295 4.483 294 HG LEU 996 HG LEU 996 -7.264 -3.578 1.524 295 1HD1 LEU 996 1HD1 LEU 996 -5.382 -2.017 1.602 296 2HD1 LEU 996 2HD1 LEU 996 -5.802 -1.596 3.263 297 3HD1 LEU 996 3HD1 LEU 996 -6.910 -1.207 1.947 298 1HD2 LEU 996 1HD2 LEU 996 -5.063 -4.388 2.194 299 2HD2 LEU 996 2HD2 LEU 996 -6.345 -5.283 3.012 300 3HD2 LEU 996 3HD2 LEU 996 -5.442 -4.042 3.882 301 H ILE 997 H ILE 997 -8.787 -6.179 1.766 302 HA ILE 997 HA ILE 997 -8.383 -8.202 3.753 303 HB ILE 997 HB ILE 997 -7.814 -8.292 0.784 304 1HG1 ILE 997 1HG1 ILE 997 -9.968 -9.735 0.888 305 2HG1 ILE 997 2HG1 ILE 997 -10.244 -8.943 2.435 306 1HG2 ILE 997 1HG2 ILE 997 -7.858 -10.729 1.060 307 2HG2 ILE 997 2HG2 ILE 997 -8.030 -10.523 2.803 308 3HG2 ILE 997 3HG2 ILE 997 -6.559 -9.985 1.992 309 1HD1 ILE 997 1HD1 ILE 997 -9.942 -7.561 -0.219 310 2HD1 ILE 997 2HD1 ILE 997 -10.226 -6.772 1.333 311 3HD1 ILE 997 3HD1 ILE 997 -11.453 -7.837 0.648 312 H GLY 998 H GLY 998 -6.670 -7.297 4.999 313 1HA GLY 998 2HA GLY 998 -4.084 -8.091 4.503 314 2HA GLY 998 1HA GLY 998 -4.212 -6.495 3.784 315 H HIS 999 H HIS 999 -4.376 -4.702 5.086 316 HA HIS 999 HA HIS 999 -4.409 -5.068 7.977 317 1HB HIS 999 2HB HIS 999 -2.045 -5.220 7.420 318 2HB HIS 999 1HB HIS 999 -2.139 -3.723 6.498 319 HD1 HIS 999 1HD HIS 999 -2.272 -4.980 10.054 320 HD2 HIS 999 2HD HIS 999 -1.840 -1.421 7.955 321 HE1 HIS 999 1HE HIS 999 -1.643 -3.258 11.776 322 HE2 HIS 999 2HE HIS 999 -1.461 -1.096 10.495 323 H SER1000 H SER1000 -3.247 -2.263 6.181 324 HA SER1000 HA SER1000 -5.633 -0.826 5.989 325 1HB SER1000 1HB SER1000 -5.689 -0.922 8.435 326 2HB SER1000 2HB SER1000 -4.068 -0.231 8.514 327 HG SER1000 HG SER1000 -6.053 1.159 7.115 328 H SER1001 H SER1001 -2.174 -0.727 6.586 329 HA SER1001 HA SER1001 -1.937 1.434 4.618 330 1HB SER1001 2HB SER1001 -0.233 2.552 6.016 331 2HB SER1001 1HB SER1001 -1.802 2.500 6.818 332 HG SER1001 HG SER1001 -0.526 0.303 7.503 333 H ALA1002 H ALA1002 0.689 1.780 4.433 334 HA ALA1002 HA ALA1002 1.941 -0.853 4.194 335 1HB ALA1002 1HB ALA1002 0.810 -0.432 2.054 336 2HB ALA1002 2HB ALA1002 2.563 -0.483 1.879 337 3HB ALA1002 3HB ALA1002 1.722 1.066 1.879 338 H GLU1003 H GLU1003 4.083 -0.841 4.578 339 HA GLU1003 HA GLU1003 5.455 1.766 4.653 340 1HB GLU1003 1HB GLU1003 5.078 0.898 6.923 341 2HB GLU1003 2HB GLU1003 5.896 -0.597 6.490 342 1HG GLU1003 2HG GLU1003 7.970 0.639 6.124 343 2HG GLU1003 1HG GLU1003 7.149 2.139 6.555 344 H CYS1004 H CYS1004 7.105 1.917 3.286 345 HA CYS1004 HA CYS1004 7.847 -0.349 1.703 346 1HB CYS1004 1HB CYS1004 7.645 1.909 0.736 347 2HB CYS1004 2HB CYS1004 8.996 2.450 1.729 348 H ILE1005 H ILE1005 9.044 -1.858 2.710 349 HA ILE1005 HA ILE1005 11.610 -0.976 3.860 350 HB ILE1005 HB ILE1005 11.536 -2.929 5.367 351 1HG1 ILE1005 2HG1 ILE1005 8.665 -3.209 4.448 352 2HG1 ILE1005 1HG1 ILE1005 9.975 -4.285 3.969 353 1HG2 ILE1005 1HG2 ILE1005 9.187 -1.055 5.623 354 2HG2 ILE1005 2HG2 ILE1005 10.833 -0.749 6.178 355 3HG2 ILE1005 3HG2 ILE1005 9.873 -2.025 6.926 356 1HD1 ILE1005 1HD1 ILE1005 8.637 -5.256 5.744 357 2HD1 ILE1005 2HD1 ILE1005 8.975 -3.866 6.775 358 3HD1 ILE1005 3HD1 ILE1005 10.284 -4.946 6.294 359 H LEU1006 H LEU1006 13.426 -2.139 3.327 360 HA LEU1006 HA LEU1006 13.333 -3.685 0.926 361 1HB LEU1006 2HB LEU1006 15.557 -3.073 2.867 362 2HB LEU1006 1HB LEU1006 15.791 -4.017 1.409 363 HG LEU1006 HG LEU1006 14.710 -1.205 1.361 364 1HD1 LEU1006 1HD2 LEU1006 16.905 -1.162 2.413 365 2HD1 LEU1006 2HD2 LEU1006 16.971 -0.472 0.790 366 3HD1 LEU1006 3HD2 LEU1006 17.574 -2.105 1.080 367 1HD2 LEU1006 1HD1 LEU1006 14.269 -2.553 -0.619 368 2HD2 LEU1006 2HD1 LEU1006 15.985 -2.939 -0.750 369 3HD2 LEU1006 3HD1 LEU1006 15.436 -1.278 -0.969 370 H SER1007 H SER1007 12.284 -5.593 1.127 371 HA SER1007 HA SER1007 12.904 -7.360 3.362 372 1HB SER1007 2HB SER1007 10.907 -7.657 1.104 373 2HB SER1007 1HB SER1007 11.074 -8.764 2.467 374 HG SER1007 HG SER1007 10.574 -6.004 2.817 375 H GLY1008 H GLY1008 14.878 -6.769 1.243 376 1HA GLY1008 2HA GLY1008 16.156 -9.171 0.997 377 2HA GLY1008 1HA GLY1008 15.083 -9.123 -0.394 378 H ASN1009 H ASN1009 15.463 -7.638 -2.050 379 HA ASN1009 HA ASN1009 17.900 -6.023 -1.854 380 1HB ASN1009 2HB ASN1009 18.633 -6.811 -4.085 381 2HB ASN1009 1HB ASN1009 18.612 -8.105 -2.890 382 1HD2 ASN1009 2HD2 ASN1009 17.104 -6.799 -5.730 383 2HD2 ASN1009 1HD2 ASN1009 16.175 -8.200 -6.129 384 H THR1010 H THR1010 14.772 -5.897 -2.246 385 HA THR1010 HA THR1010 14.914 -3.586 -4.026 386 HB THR1010 HB THR1010 12.857 -5.771 -4.419 387 HG1 THR1010 1HG THR1010 15.237 -5.091 -5.793 388 1HG2 THR1010 1HG2 THR1010 12.184 -4.455 -6.377 389 2HG2 THR1010 2HG2 THR1010 13.363 -3.215 -5.949 390 3HG2 THR1010 3HG2 THR1010 11.991 -3.532 -4.887 391 H ALA1011 H ALA1011 13.544 -1.960 -3.466 392 HA ALA1011 HA ALA1011 12.346 -2.065 -0.882 393 1HB ALA1011 1HB ALA1011 12.128 0.075 -2.996 394 2HB ALA1011 2HB ALA1011 13.386 -0.029 -1.764 395 3HB ALA1011 3HB ALA1011 11.710 0.245 -1.291 396 H HIS1012 H HIS1012 10.488 -3.043 -0.473 397 HA HIS1012 HA HIS1012 8.225 -2.540 -2.283 398 1HB HIS1012 1HB HIS1012 8.927 -5.157 -0.941 399 2HB HIS1012 2HB HIS1012 7.378 -4.833 -1.711 400 HD1 HIS1012 1HD HIS1012 7.302 -4.847 -4.274 401 HD2 HIS1012 2HD HIS1012 11.088 -5.537 -2.708 402 HE1 HIS1012 1HE HIS1012 8.691 -5.655 -6.208 403 HE2 HIS1012 2HE HIS1012 10.955 -6.149 -5.218 404 H TRP1013 H TRP1013 6.099 -3.131 -1.105 405 HA TRP1013 HA TRP1013 6.166 -1.745 1.459 406 1HB TRP1013 2HB TRP1013 3.819 -2.563 -0.268 407 2HB TRP1013 1HB TRP1013 3.722 -1.584 1.193 408 HD1 TRP1013 HD TRP1013 4.467 -1.359 -2.499 409 HE1 TRP1013 1HE TRP1013 4.877 1.101 -3.138 410 HE3 TRP1013 3HE TRP1013 4.728 0.671 2.186 411 HZ2 TRP1013 2HZ TRP1013 5.258 3.572 -1.833 412 HZ3 TRP1013 3HZ TRP1013 5.117 3.090 2.404 413 HH2 TRP1013 HH TRP1013 5.378 4.510 0.434 414 H SER1014 H SER1014 5.312 -2.576 3.358 415 HA SER1014 HA SER1014 6.004 -5.268 3.776 416 1HB SER1014 2HB SER1014 4.459 -3.401 5.591 417 2HB SER1014 1HB SER1014 5.234 -4.907 6.085 418 HG SER1014 HG SER1014 6.316 -2.449 5.736 419 H THR1015 H THR1015 3.080 -3.873 2.725 420 HA THR1015 HA THR1015 1.526 -6.213 3.593 421 HB THR1015 HB THR1015 0.521 -4.102 4.242 422 HG1 THR1015 1HG THR1015 -1.510 -4.453 3.273 423 1HG2 THR1015 1HG2 THR1015 -0.237 -2.479 2.567 424 2HG2 THR1015 2HG2 THR1015 0.528 -3.433 1.296 425 3HG2 THR1015 3HG2 THR1015 1.517 -2.662 2.536 426 H LYS1016 H LYS1016 0.650 -7.605 2.167 427 HA LYS1016 HA LYS1016 1.560 -7.771 -0.481 428 1HB LYS1016 2HB LYS1016 0.035 -9.602 -0.744 429 2HB LYS1016 1HB LYS1016 0.677 -9.674 0.890 430 1HG LYS1016 1HG LYS1016 -1.978 -8.430 0.225 431 2HG LYS1016 2HG LYS1016 -1.783 -10.131 0.650 432 1HD LYS1016 2HD LYS1016 -0.937 -7.816 2.388 433 2HD LYS1016 1HD LYS1016 -2.445 -8.712 2.570 434 1HE LYS1016 1HE LYS1016 0.335 -9.861 2.789 435 2HE LYS1016 2HE LYS1016 -0.742 -9.500 4.137 436 1HZ LYS1016 1HZ LYS1016 -2.308 -11.128 3.272 437 2HZ LYS1016 2HZ LYS1016 -0.804 -11.841 3.573 438 3HZ LYS1016 3HZ LYS1016 -1.265 -11.480 1.987 439 HA PRO1017 HA PRO1017 -0.939 -5.362 -3.242 440 1HB PRO1017 2HB PRO1017 -2.284 -7.933 -4.001 441 2HB PRO1017 1HB PRO1017 -1.690 -6.630 -5.039 442 1HG PRO1017 2HG PRO1017 -0.282 -8.875 -4.712 443 2HG PRO1017 1HG PRO1017 0.520 -7.299 -4.833 444 1HD PRO1017 1HD PRO1017 0.151 -9.050 -2.476 445 2HD PRO1017 2HD PRO1017 1.400 -7.832 -2.794 446 HA PRO1018 HA PRO1018 -4.348 -4.958 -0.409 447 1HB PRO1018 2HB PRO1018 -5.136 -2.484 -1.125 448 2HB PRO1018 1HB PRO1018 -3.642 -2.770 -0.224 449 1HG PRO1018 2HG PRO1018 -4.026 -2.296 -3.158 450 2HG PRO1018 1HG PRO1018 -2.810 -1.608 -2.065 451 1HD PRO1018 2HD PRO1018 -2.297 -3.700 -3.726 452 2HD PRO1018 1HD PRO1018 -1.481 -3.481 -2.165 453 H ILE1019 H ILE1019 -6.481 -5.402 -0.444 454 HA ILE1019 HA ILE1019 -7.961 -4.972 -2.955 455 HB ILE1019 HB ILE1019 -8.596 -7.224 -1.061 456 1HG1 ILE1019 2HG1 ILE1019 -6.922 -7.394 -3.578 457 2HG1 ILE1019 1HG1 ILE1019 -6.286 -7.504 -1.940 458 1HG2 ILE1019 1HG2 ILE1019 -10.383 -6.525 -2.550 459 2HG2 ILE1019 2HG2 ILE1019 -9.790 -8.121 -3.009 460 3HG2 ILE1019 3HG2 ILE1019 -9.316 -6.702 -3.942 461 1HD1 ILE1019 1HD1 ILE1019 -7.586 -9.527 -1.564 462 2HD1 ILE1019 2HD1 ILE1019 -6.514 -9.696 -2.954 463 3HD1 ILE1019 3HD1 ILE1019 -8.238 -9.414 -3.198 464 H CYS1020 H CYS1020 -10.347 -4.797 -2.586 465 HA CYS1020 HA CYS1020 -10.971 -3.641 0.044 466 1HB CYS1020 2HB CYS1020 -10.364 -1.922 -1.795 467 2HB CYS1020 1HB CYS1020 -11.925 -2.339 -2.494 468 H GLN1021 H GLN1021 -12.388 -5.146 0.740 469 HA GLN1021 HA GLN1021 -14.549 -5.964 -1.082 470 1HB GLN1021 2HB GLN1021 -13.146 -7.807 -0.297 471 2HB GLN1021 1HB GLN1021 -13.460 -7.353 1.373 472 1HG GLN1021 2HG GLN1021 -15.841 -7.846 1.042 473 2HG GLN1021 1HG GLN1021 -15.494 -8.344 -0.614 474 1HE2 GLN1021 2HE2 GLN1021 -14.398 -10.269 -0.983 475 2HE2 GLN1021 1HE2 GLN1021 -14.228 -11.480 0.238 476 H ARG1022 H ARG1022 -16.623 -5.572 -0.577 477 HA ARG1022 HA ARG1022 -17.309 -3.734 1.439 478 1HB ARG1022 2HB ARG1022 -19.593 -4.084 0.787 479 2HB ARG1022 1HB ARG1022 -18.603 -4.115 -0.664 480 1HG ARG1022 2HG ARG1022 -19.480 -6.611 0.761 481 2HG ARG1022 1HG ARG1022 -20.426 -5.846 -0.517 482 1HD ARG1022 1HD ARG1022 -18.547 -6.095 -2.060 483 2HD ARG1022 2HD ARG1022 -17.592 -6.847 -0.782 484 HE ARG1022 HE ARG1022 -19.971 -8.291 -1.077 485 1HH1 ARG1022 1HH1 ARG1022 -17.048 -7.604 -2.845 486 2HH1 ARG1022 2HH1 ARG1022 -17.067 -9.104 -3.711 487 1HH2 ARG1022 1HH2 ARG1022 -20.003 -10.268 -2.212 488 2HH2 ARG1022 2HH2 ARG1022 -18.746 -10.618 -3.352 489 H ILE1023 H ILE1023 -18.297 -3.968 3.416 490 HA ILE1023 HA ILE1023 -17.802 -6.493 4.743 491 HB ILE1023 HB ILE1023 -18.872 -3.910 5.889 492 1HG1 ILE1023 2HG1 ILE1023 -16.067 -5.048 5.960 493 2HG1 ILE1023 1HG1 ILE1023 -16.588 -3.724 4.923 494 1HG2 ILE1023 1HG2 ILE1023 -17.780 -6.372 7.247 495 2HG2 ILE1023 2HG2 ILE1023 -19.462 -5.841 7.242 496 3HG2 ILE1023 3HG2 ILE1023 -18.234 -4.870 8.053 497 1HD1 ILE1023 1HD1 ILE1023 -16.564 -3.702 7.930 498 2HD1 ILE1023 2HD1 ILE1023 -17.087 -2.377 6.891 499 3HD1 ILE1023 3HD1 ILE1023 -15.404 -2.902 6.871 500 HA PRO1024 HA PRO1024 -22.584 -6.128 5.473 501 1HB PRO1024 1HB PRO1024 -23.967 -4.511 3.780 502 2HB PRO1024 2HB PRO1024 -23.331 -3.960 5.334 503 1HG PRO1024 1HG PRO1024 -22.190 -3.611 2.586 504 2HG PRO1024 2HG PRO1024 -22.315 -2.430 3.904 505 1HD PRO1024 1HD PRO1024 -20.017 -3.739 3.349 506 2HD PRO1024 2HD PRO1024 -20.468 -3.274 5.002 Start of MODEL 7 1 1H GLU 957 1HT GLU 957 18.917 2.391 -9.914 2 2H GLU 957 2HT GLU 957 18.829 2.555 -11.595 3 3H GLU 957 3HT GLU 957 18.305 1.127 -10.857 4 HA GLU 957 HA GLU 957 17.075 3.799 -10.516 5 1HB GLU 957 2HB GLU 957 15.182 2.840 -11.773 6 2HB GLU 957 1HB GLU 957 16.651 2.900 -12.737 7 1HG GLU 957 1HG GLU 957 17.023 0.522 -12.314 8 2HG GLU 957 2HG GLU 957 15.543 0.464 -11.357 9 H ALA 958 H ALA 958 17.488 0.573 -9.400 10 HA ALA 958 HA ALA 958 15.829 1.133 -7.093 11 1HB ALA 958 1HB ALA 958 14.212 0.201 -8.678 12 2HB ALA 958 2HB ALA 958 14.463 -0.874 -7.302 13 3HB ALA 958 3HB ALA 958 15.216 -1.238 -8.855 14 H GLU 959 H GLU 959 18.672 0.519 -7.851 15 HA GLU 959 HA GLU 959 19.093 -1.974 -6.365 16 1HB GLU 959 1HB GLU 959 21.395 -1.879 -7.242 17 2HB GLU 959 2HB GLU 959 20.196 -1.867 -8.528 18 1HG GLU 959 2HG GLU 959 20.464 0.546 -8.764 19 2HG GLU 959 1HG GLU 959 21.658 0.541 -7.467 20 H ALA 960 H ALA 960 18.471 0.831 -5.316 21 HA ALA 960 HA ALA 960 20.644 0.870 -3.335 22 1HB ALA 960 1HB ALA 960 19.374 3.316 -4.561 23 2HB ALA 960 2HB ALA 960 20.997 2.716 -4.902 24 3HB ALA 960 3HB ALA 960 20.595 3.305 -3.289 25 H LYS 961 H LYS 961 17.642 2.725 -3.819 26 HA LYS 961 HA LYS 961 16.217 1.363 -1.770 27 1HB LYS 961 1HB LYS 961 17.726 2.592 -0.309 28 2HB LYS 961 2HB LYS 961 17.313 4.101 -1.111 29 1HG LYS 961 2HG LYS 961 15.026 3.927 -0.304 30 2HG LYS 961 1HG LYS 961 15.406 2.385 0.467 31 1HD LYS 961 1HD LYS 961 15.454 4.127 2.126 32 2HD LYS 961 2HD LYS 961 17.097 3.543 1.854 33 1HE LYS 961 2HE LYS 961 17.530 5.454 0.385 34 2HE LYS 961 1HE LYS 961 15.890 6.039 0.665 35 1HZ LYS 961 1HZ LYS 961 17.498 7.183 2.059 36 2HZ LYS 961 2HZ LYS 961 17.981 5.717 2.749 37 3HZ LYS 961 3HZ LYS 961 16.413 6.294 3.005 38 H SER 962 H SER 962 14.266 1.375 -2.642 39 HA SER 962 HA SER 962 12.687 3.638 -3.009 40 1HB SER 962 2HB SER 962 12.552 3.764 -5.475 41 2HB SER 962 1HB SER 962 14.158 4.187 -4.885 42 HG SER 962 HG SER 962 13.394 1.644 -5.892 43 H CYS 963 H CYS 963 10.630 2.975 -2.974 44 HA CYS 963 HA CYS 963 10.027 0.210 -3.742 45 1HB CYS 963 2HB CYS 963 8.492 2.236 -2.110 46 2HB CYS 963 1HB CYS 963 7.813 0.691 -2.611 47 H LYS 964 H LYS 964 8.424 -0.292 -5.237 48 HA LYS 964 HA LYS 964 8.223 1.704 -7.322 49 1HB LYS 964 1HB LYS 964 7.359 -0.153 -8.698 50 2HB LYS 964 2HB LYS 964 8.895 -0.544 -7.936 51 1HG LYS 964 2HG LYS 964 7.721 -1.836 -6.226 52 2HG LYS 964 1HG LYS 964 6.180 -1.440 -6.988 53 1HD LYS 964 1HD LYS 964 8.431 -2.927 -8.338 54 2HD LYS 964 2HD LYS 964 7.028 -3.693 -7.589 55 1HE LYS 964 2HE LYS 964 5.552 -2.500 -9.132 56 2HE LYS 964 1HE LYS 964 6.952 -1.731 -9.879 57 1HZ LYS 964 1HZ LYS 964 6.400 -4.649 -9.836 58 2HZ LYS 964 2HZ LYS 964 7.745 -3.914 -10.550 59 3HZ LYS 964 3HZ LYS 964 6.197 -3.624 -11.167 60 H THR 965 H THR 965 6.554 1.707 -4.770 61 HA THR 965 HA THR 965 4.502 2.442 -4.149 62 HB THR 965 HB THR 965 3.237 3.793 -5.613 63 HG1 THR 965 1HG THR 965 3.087 3.452 -7.739 64 1HG2 THR 965 1HG2 THR 965 6.107 3.911 -6.546 65 2HG2 THR 965 2HG2 THR 965 5.447 4.713 -5.121 66 3HG2 THR 965 3HG2 THR 965 4.911 5.194 -6.731 67 HA PRO 966 HA PRO 966 1.873 -1.097 -4.744 68 1HB PRO 966 1HB PRO 966 -0.166 -0.358 -3.154 69 2HB PRO 966 2HB PRO 966 1.401 -0.845 -2.497 70 1HG PRO 966 2HG PRO 966 0.296 1.906 -2.927 71 2HG PRO 966 1HG PRO 966 1.189 1.265 -1.536 72 1HD PRO 966 2HD PRO 966 2.340 2.776 -3.497 73 2HD PRO 966 1HD PRO 966 3.225 1.564 -2.550 74 HA PRO 967 HA PRO 967 -0.821 0.253 -8.033 75 1HB PRO 967 2HB PRO 967 -2.248 -2.051 -8.316 76 2HB PRO 967 1HB PRO 967 -0.608 -1.845 -8.938 77 1HG PRO 967 2HG PRO 967 -1.525 -3.172 -6.416 78 2HG PRO 967 1HG PRO 967 -0.297 -3.708 -7.578 79 1HD PRO 967 2HD PRO 967 0.356 -2.514 -5.248 80 2HD PRO 967 1HD PRO 967 1.311 -2.284 -6.727 81 H ASP 968 H ASP 968 -2.753 1.251 -8.114 82 HA ASP 968 HA ASP 968 -4.268 1.671 -5.807 83 1HB ASP 968 2HB ASP 968 -5.071 2.079 -8.695 84 2HB ASP 968 1HB ASP 968 -5.910 2.757 -7.303 85 HA PRO 969 HA PRO 969 -6.499 -2.232 -5.848 86 1HB PRO 969 2HB PRO 969 -7.923 -1.750 -3.577 87 2HB PRO 969 1HB PRO 969 -6.244 -2.299 -3.569 88 1HG PRO 969 2HG PRO 969 -7.335 0.469 -3.235 89 2HG PRO 969 1HG PRO 969 -6.041 -0.340 -2.331 90 1HD PRO 969 2HD PRO 969 -5.526 1.434 -4.298 91 2HD PRO 969 1HD PRO 969 -4.477 0.035 -3.992 92 H VAL 970 H VAL 970 -8.763 -2.886 -5.910 93 HA VAL 970 HA VAL 970 -10.309 -1.240 -7.596 94 HB VAL 970 HB VAL 970 -10.506 -3.674 -7.644 95 1HG1 VAL 970 1HG1 VAL 970 -11.778 -3.387 -4.924 96 2HG1 VAL 970 2HG1 VAL 970 -10.222 -4.139 -5.276 97 3HG1 VAL 970 3HG1 VAL 970 -11.710 -4.873 -5.874 98 1HG2 VAL 970 1HG2 VAL 970 -12.956 -3.840 -7.724 99 2HG2 VAL 970 2HG2 VAL 970 -12.366 -2.365 -8.490 100 3HG2 VAL 970 3HG2 VAL 970 -13.078 -2.298 -6.878 101 H ASN 971 H ASN 971 -11.919 0.174 -7.213 102 HA ASN 971 HA ASN 971 -13.223 1.661 -6.097 103 1HB ASN 971 1HB ASN 971 -13.534 -0.664 -4.186 104 2HB ASN 971 2HB ASN 971 -14.546 0.777 -4.198 105 1HD2 ASN 971 1HD2 ASN 971 -15.264 -2.019 -4.596 106 2HD2 ASN 971 2HD2 ASN 971 -16.030 -2.100 -6.142 107 H GLY 972 H GLY 972 -10.284 1.195 -5.312 108 1HA GLY 972 1HA GLY 972 -10.415 2.700 -2.772 109 2HA GLY 972 2HA GLY 972 -9.251 1.406 -3.020 110 H MET 973 H MET 973 -8.531 4.011 -2.296 111 HA MET 973 HA MET 973 -6.741 4.625 -4.493 112 1HB MET 973 1HB MET 973 -7.285 7.083 -4.325 113 2HB MET 973 2HB MET 973 -8.513 6.090 -5.096 114 1HG MET 973 2HG MET 973 -9.822 6.086 -3.053 115 2HG MET 973 1HG MET 973 -8.577 7.030 -2.237 116 1HE MET 973 1HE MET 973 -11.637 7.875 -2.275 117 2HE MET 973 2HE MET 973 -11.507 9.603 -2.601 118 3HE MET 973 3HE MET 973 -10.380 8.828 -1.486 119 H VAL 974 H VAL 974 -4.924 4.241 -3.364 120 HA VAL 974 HA VAL 974 -4.544 4.605 -0.635 121 HB VAL 974 HB VAL 974 -2.149 4.416 -1.059 122 1HG1 VAL 974 1HG1 VAL 974 -3.491 2.387 -1.116 123 2HG1 VAL 974 2HG1 VAL 974 -2.157 2.281 -2.264 124 3HG1 VAL 974 3HG1 VAL 974 -3.790 2.617 -2.839 125 1HG2 VAL 974 1HG2 VAL 974 -1.281 4.314 -3.349 126 2HG2 VAL 974 2HG2 VAL 974 -1.978 5.892 -2.983 127 3HG2 VAL 974 3HG2 VAL 974 -2.877 4.738 -3.967 128 H HIS 975 H HIS 975 -2.956 6.097 0.401 129 HA HIS 975 HA HIS 975 -3.330 8.826 -0.645 130 1HB HIS 975 2HB HIS 975 -3.140 7.901 2.229 131 2HB HIS 975 1HB HIS 975 -3.263 9.580 1.714 132 HD1 HIS 975 1HD HIS 975 -5.565 10.476 1.202 133 HD2 HIS 975 2HD HIS 975 -5.524 6.362 1.790 134 HE1 HIS 975 1HE HIS 975 -7.981 9.788 1.314 135 HE2 HIS 975 2HE HIS 975 -7.933 7.286 1.604 136 H VAL 976 H VAL 976 -1.399 9.015 -1.742 137 HA VAL 976 HA VAL 976 1.140 8.381 -0.653 138 HB VAL 976 HB VAL 976 0.430 10.371 -2.816 139 1HG1 VAL 976 1HG2 VAL 976 2.774 10.125 -3.518 140 2HG1 VAL 976 2HG2 VAL 976 3.083 9.129 -2.095 141 3HG1 VAL 976 3HG2 VAL 976 2.633 10.824 -1.905 142 1HG2 VAL 976 1HG1 VAL 976 1.061 8.578 -4.365 143 2HG2 VAL 976 2HG1 VAL 976 -0.307 8.114 -3.351 144 3HG2 VAL 976 3HG1 VAL 976 1.304 7.490 -2.998 145 H ILE 977 H ILE 977 1.935 9.282 1.125 146 HA ILE 977 HA ILE 977 1.039 11.688 2.259 147 HB ILE 977 HB ILE 977 3.667 10.283 2.757 148 1HG1 ILE 977 1HG1 ILE 977 1.753 8.786 3.085 149 2HG1 ILE 977 2HG1 ILE 977 2.499 9.191 4.627 150 1HG2 ILE 977 1HG2 ILE 977 3.659 12.555 3.615 151 2HG2 ILE 977 2HG2 ILE 977 3.591 11.397 4.943 152 3HG2 ILE 977 3HG2 ILE 977 2.133 12.256 4.445 153 1HD1 ILE 977 1HD1 ILE 977 -0.016 10.408 3.512 154 2HD1 ILE 977 2HD1 ILE 977 0.732 10.816 5.057 155 3HD1 ILE 977 3HD1 ILE 977 0.081 9.198 4.791 156 H THR 978 H THR 978 4.268 11.030 0.877 157 HA THR 978 HA THR 978 4.285 13.587 -0.470 158 HB THR 978 HB THR 978 6.313 13.068 1.716 159 HG1 THR 978 1HG THR 978 4.573 15.271 1.715 160 1HG2 THR 978 1HG2 THR 978 7.088 15.345 1.204 161 2HG2 THR 978 2HG2 THR 978 5.934 15.432 -0.127 162 3HG2 THR 978 3HG2 THR 978 7.260 14.271 -0.185 163 H ASP 979 H ASP 979 5.849 10.583 0.395 164 HA ASP 979 HA ASP 979 7.121 10.512 -2.228 165 1HB ASP 979 1HB ASP 979 8.619 10.053 0.363 166 2HB ASP 979 2HB ASP 979 9.262 9.738 -1.246 167 H ILE 980 H ILE 980 8.511 8.191 -2.022 168 HA ILE 980 HA ILE 980 6.684 6.179 -0.954 169 HB ILE 980 HB ILE 980 7.073 4.981 -3.281 170 1HG1 ILE 980 1HG1 ILE 980 6.790 6.719 -5.106 171 2HG1 ILE 980 2HG1 ILE 980 7.250 7.930 -3.913 172 1HG2 ILE 980 1HG2 ILE 980 4.909 5.429 -2.271 173 2HG2 ILE 980 2HG2 ILE 980 4.875 5.803 -3.995 174 3HG2 ILE 980 3HG2 ILE 980 4.986 7.106 -2.812 175 1HD1 ILE 980 1HD1 ILE 980 9.407 6.833 -3.629 176 2HD1 ILE 980 2HD1 ILE 980 9.133 7.307 -5.305 177 3HD1 ILE 980 3HD1 ILE 980 8.948 5.620 -4.823 178 H GLN 981 H GLN 981 9.415 7.098 -0.358 179 HA GLN 981 HA GLN 981 10.879 4.598 -0.880 180 1HB GLN 981 2HB GLN 981 11.920 7.297 0.003 181 2HB GLN 981 1HB GLN 981 12.907 5.860 -0.223 182 1HG GLN 981 1HG GLN 981 12.341 5.827 -2.589 183 2HG GLN 981 2HG GLN 981 11.316 7.245 -2.371 184 1HE2 GLN 981 1HE2 GLN 981 13.166 8.476 -0.474 185 2HE2 GLN 981 2HE2 GLN 981 14.485 9.074 -1.416 186 H VAL 982 H VAL 982 12.654 4.518 1.140 187 HA VAL 982 HA VAL 982 11.146 3.550 3.317 188 HB VAL 982 HB VAL 982 14.084 4.253 3.220 189 1HG1 VAL 982 1HG1 VAL 982 12.552 2.521 5.159 190 2HG1 VAL 982 2HG1 VAL 982 13.274 4.090 5.511 191 3HG1 VAL 982 3HG1 VAL 982 14.303 2.714 5.117 192 1HG2 VAL 982 1HG2 VAL 982 14.400 1.851 2.813 193 2HG2 VAL 982 2HG2 VAL 982 13.473 2.625 1.527 194 3HG2 VAL 982 3HG2 VAL 982 12.650 1.645 2.741 195 H GLY 983 H GLY 983 10.496 4.457 5.182 196 1HA GLY 983 1HA GLY 983 10.685 6.108 6.933 197 2HA GLY 983 2HA GLY 983 11.355 7.219 5.748 198 H SER 984 H SER 984 9.144 6.078 3.888 199 HA SER 984 HA SER 984 7.087 7.965 4.792 200 1HB SER 984 1HB SER 984 6.309 8.016 2.505 201 2HB SER 984 2HB SER 984 8.058 8.233 2.497 202 HG SER 984 HG SER 984 6.578 6.297 1.347 203 H ARG 985 H ARG 985 5.104 7.317 5.386 204 HA ARG 985 HA ARG 985 4.468 4.455 5.084 205 1HB ARG 985 1HB ARG 985 5.008 5.038 7.405 206 2HB ARG 985 2HB ARG 985 3.774 6.291 7.384 207 1HG ARG 985 2HG ARG 985 2.054 4.574 7.042 208 2HG ARG 985 1HG ARG 985 3.303 3.329 7.115 209 1HD ARG 985 2HD ARG 985 2.182 3.535 9.259 210 2HD ARG 985 1HD ARG 985 3.868 4.034 9.390 211 HE ARG 985 HE ARG 985 2.305 6.300 8.875 212 1HH1 ARG 985 1HH1 ARG 985 2.846 3.957 11.397 213 2HH1 ARG 985 2HH1 ARG 985 2.437 5.051 12.677 214 1HH2 ARG 985 1HH2 ARG 985 1.767 7.745 10.553 215 2HH2 ARG 985 2HH2 ARG 985 1.824 7.204 12.197 216 H ILE 986 H ILE 986 3.199 4.684 3.251 217 HA ILE 986 HA ILE 986 0.868 6.425 3.361 218 HB ILE 986 HB ILE 986 0.362 5.584 1.109 219 1HG1 ILE 986 1HG1 ILE 986 2.918 3.986 1.389 220 2HG1 ILE 986 2HG1 ILE 986 1.297 3.300 1.450 221 1HG2 ILE 986 1HG2 ILE 986 3.219 6.481 1.474 222 2HG2 ILE 986 2HG2 ILE 986 1.802 7.525 1.353 223 3HG2 ILE 986 3HG2 ILE 986 2.305 6.558 -0.033 224 1HD1 ILE 986 1HD1 ILE 986 2.304 2.975 -0.728 225 2HD1 ILE 986 2HD1 ILE 986 2.530 4.715 -0.900 226 3HD1 ILE 986 3HD1 ILE 986 0.902 4.038 -0.843 227 H THR 987 H THR 987 -1.243 5.318 2.540 228 HA THR 987 HA THR 987 -1.629 2.738 3.871 229 HB THR 987 HB THR 987 -3.638 3.594 5.050 230 HG1 THR 987 1HG THR 987 -3.526 5.596 3.526 231 1HG2 THR 987 1HG2 THR 987 -1.069 5.021 5.746 232 2HG2 THR 987 2HG2 THR 987 -1.517 3.391 6.249 233 3HG2 THR 987 3HG2 THR 987 -2.438 4.779 6.830 234 H TYR 988 H TYR 988 -3.448 1.578 3.197 235 HA TYR 988 HA TYR 988 -4.515 2.340 0.610 236 1HB TYR 988 2HB TYR 988 -5.052 -0.117 2.295 237 2HB TYR 988 1HB TYR 988 -5.553 0.115 0.623 238 HD1 TYR 988 1HD TYR 988 -3.917 0.033 -1.191 239 HD2 TYR 988 2HD TYR 988 -2.759 -0.645 2.847 240 HE1 TYR 988 1HE TYR 988 -1.789 -0.924 -1.968 241 HE2 TYR 988 2HE TYR 988 -0.628 -1.603 2.081 242 HH TYR 988 HH TYR 988 0.301 -2.660 0.071 243 H SER 989 H SER 989 -6.458 3.219 0.254 244 HA SER 989 HA SER 989 -7.901 4.156 2.562 245 1HB SER 989 2HB SER 989 -7.463 5.670 0.691 246 2HB SER 989 1HB SER 989 -8.387 4.625 -0.388 247 HG SER 989 HG SER 989 -9.391 6.591 0.786 248 H CYS 990 H CYS 990 -8.926 2.457 -0.413 249 HA CYS 990 HA CYS 990 -10.795 1.267 -0.909 250 1HB CYS 990 2HB CYS 990 -10.398 0.586 1.979 251 2HB CYS 990 1HB CYS 990 -11.855 0.041 1.152 252 H THR 991 H THR 991 -12.734 2.028 -1.416 253 HA THR 991 HA THR 991 -13.695 4.441 -0.428 254 HB THR 991 HB THR 991 -14.385 3.731 -2.604 255 HG1 THR 991 1HG THR 991 -16.688 3.607 -0.930 256 1HG2 THR 991 1HG2 THR 991 -15.909 1.814 -2.934 257 2HG2 THR 991 2HG2 THR 991 -15.734 1.407 -1.227 258 3HG2 THR 991 3HG2 THR 991 -14.337 1.326 -2.301 259 H THR 992 H THR 992 -15.442 5.002 0.887 260 HA THR 992 HA THR 992 -15.639 3.665 3.303 261 HB THR 992 HB THR 992 -17.691 5.541 2.111 262 HG1 THR 992 1HG THR 992 -16.483 7.134 3.238 263 1HG2 THR 992 1HG2 THR 992 -18.276 6.025 4.444 264 2HG2 THR 992 2HG2 THR 992 -17.122 4.806 4.987 265 3HG2 THR 992 3HG2 THR 992 -18.541 4.324 4.057 266 H GLY 993 H GLY 993 -16.813 2.014 4.062 267 1HA GLY 993 2HA GLY 993 -18.835 0.705 4.151 268 2HA GLY 993 1HA GLY 993 -19.072 1.036 2.441 269 H HIS 994 H HIS 994 -15.848 0.398 3.045 270 HA HIS 994 HA HIS 994 -16.164 -2.474 2.510 271 1HB HIS 994 1HB HIS 994 -14.327 -0.588 1.020 272 2HB HIS 994 2HB HIS 994 -14.350 -2.338 0.832 273 HD1 HIS 994 1HD HIS 994 -16.804 0.552 0.469 274 HD2 HIS 994 2HD HIS 994 -15.938 -3.157 -1.193 275 HE1 HIS 994 1HE HIS 994 -18.409 0.283 -1.448 276 HE2 HIS 994 2HE HIS 994 -17.803 -1.926 -2.496 277 H ARG 995 H ARG 995 -14.488 -3.802 3.237 278 HA ARG 995 HA ARG 995 -12.775 -2.547 5.267 279 1HB ARG 995 1HB ARG 995 -13.529 -5.457 4.929 280 2HB ARG 995 2HB ARG 995 -12.610 -4.774 6.264 281 1HG ARG 995 1HG ARG 995 -15.464 -4.084 5.594 282 2HG ARG 995 2HG ARG 995 -14.952 -5.213 6.850 283 1HD ARG 995 1HD ARG 995 -14.263 -2.279 6.734 284 2HD ARG 995 2HD ARG 995 -15.490 -3.007 7.771 285 HE ARG 995 HE ARG 995 -13.002 -4.259 8.212 286 1HH1 ARG 995 1HH1 ARG 995 -14.672 -1.257 8.800 287 2HH1 ARG 995 2HH1 ARG 995 -13.773 -0.888 10.234 288 1HH2 ARG 995 1HH2 ARG 995 -11.814 -3.781 10.099 289 2HH2 ARG 995 2HH2 ARG 995 -12.148 -2.323 10.972 290 H LEU 996 H LEU 996 -10.624 -3.667 5.612 291 HA LEU 996 HA LEU 996 -9.325 -3.999 3.018 292 1HB LEU 996 2HB LEU 996 -8.465 -3.147 5.722 293 2HB LEU 996 1HB LEU 996 -7.283 -3.997 4.752 294 HG LEU 996 HG LEU 996 -6.987 -1.617 4.485 295 1HD1 LEU 996 1HD2 LEU 996 -8.249 -2.839 2.035 296 2HD1 LEU 996 2HD2 LEU 996 -6.561 -2.989 2.526 297 3HD1 LEU 996 3HD2 LEU 996 -7.205 -1.417 2.055 298 1HD2 LEU 996 1HD1 LEU 996 -9.234 -0.901 5.085 299 2HD2 LEU 996 2HD1 LEU 996 -9.857 -1.557 3.570 300 3HD2 LEU 996 3HD1 LEU 996 -8.734 -0.198 3.547 301 H ILE 997 H ILE 997 -8.871 -5.966 2.286 302 HA ILE 997 HA ILE 997 -8.632 -8.226 4.101 303 HB ILE 997 HB ILE 997 -8.096 -8.247 1.133 304 1HG1 ILE 997 2HG1 ILE 997 -10.324 -7.290 1.503 305 2HG1 ILE 997 1HG1 ILE 997 -10.445 -8.907 0.818 306 1HG2 ILE 997 1HG2 ILE 997 -7.343 -10.209 2.347 307 2HG2 ILE 997 2HG2 ILE 997 -8.727 -10.613 1.333 308 3HG2 ILE 997 3HG2 ILE 997 -8.940 -10.399 3.070 309 1HD1 ILE 997 1HD1 ILE 997 -10.951 -9.806 3.028 310 2HD1 ILE 997 2HD1 ILE 997 -12.104 -8.561 2.550 311 3HD1 ILE 997 3HD1 ILE 997 -10.833 -8.185 3.713 312 H GLY 998 H GLY 998 -6.775 -6.368 4.745 313 1HA GLY 998 2HA GLY 998 -4.267 -7.680 4.151 314 2HA GLY 998 1HA GLY 998 -4.417 -6.067 3.477 315 H HIS 999 H HIS 999 -4.338 -4.297 4.814 316 HA HIS 999 HA HIS 999 -4.227 -4.538 7.667 317 1HB HIS 999 2HB HIS 999 -1.984 -5.404 6.911 318 2HB HIS 999 1HB HIS 999 -1.656 -3.801 6.262 319 HD1 HIS 999 1HD HIS 999 0.278 -3.339 7.875 320 HD2 HIS 999 2HD HIS 999 -3.320 -4.180 9.775 321 HE1 HIS 999 1HE HIS 999 0.639 -2.739 10.290 322 HE2 HIS 999 2HE HIS 999 -1.525 -3.335 11.437 323 H SER1000 H SER1000 -4.457 -2.800 4.804 324 HA SER1000 HA SER1000 -5.035 -0.659 4.308 325 1HB SER1000 1HB SER1000 -6.720 -0.975 6.080 326 2HB SER1000 2HB SER1000 -5.552 -0.430 7.284 327 HG SER1000 HG SER1000 -7.078 1.025 5.542 328 H SER1001 H SER1001 -2.291 -1.467 5.507 329 HA SER1001 HA SER1001 -1.137 1.167 5.342 330 1HB SER1001 1HB SER1001 -0.995 -0.393 7.931 331 2HB SER1001 2HB SER1001 0.000 1.015 7.558 332 HG SER1001 HG SER1001 -2.470 0.956 8.537 333 H ALA1002 H ALA1002 1.062 1.132 4.891 334 HA ALA1002 HA ALA1002 2.424 -1.456 4.871 335 1HB ALA1002 1HB ALA1002 1.357 -1.261 2.673 336 2HB ALA1002 2HB ALA1002 3.115 -1.216 2.551 337 3HB ALA1002 3HB ALA1002 2.183 0.275 2.413 338 H GLU1003 H GLU1003 4.763 -1.213 4.307 339 HA GLU1003 HA GLU1003 5.836 1.454 4.861 340 1HB GLU1003 1HB GLU1003 5.728 0.285 7.022 341 2HB GLU1003 2HB GLU1003 6.662 -1.045 6.350 342 1HG GLU1003 1HG GLU1003 8.558 0.453 6.010 343 2HG GLU1003 2HG GLU1003 7.622 1.789 6.680 344 H CYS1004 H CYS1004 7.510 1.951 3.593 345 HA CYS1004 HA CYS1004 8.336 0.119 1.568 346 1HB CYS1004 2HB CYS1004 8.131 2.559 1.188 347 2HB CYS1004 1HB CYS1004 9.487 2.827 2.276 348 H ILE1005 H ILE1005 9.573 -1.566 2.151 349 HA ILE1005 HA ILE1005 12.069 -0.981 3.598 350 HB ILE1005 HB ILE1005 11.909 -3.166 4.725 351 1HG1 ILE1005 1HG1 ILE1005 9.073 -3.232 3.669 352 2HG1 ILE1005 2HG1 ILE1005 10.391 -4.218 3.041 353 1HG2 ILE1005 1HG2 ILE1005 10.190 -2.530 6.355 354 2HG2 ILE1005 2HG2 ILE1005 9.570 -1.331 5.222 355 3HG2 ILE1005 3HG2 ILE1005 11.194 -1.158 5.888 356 1HD1 ILE1005 1HD1 ILE1005 8.998 -5.491 4.558 357 2HD1 ILE1005 2HD1 ILE1005 9.291 -4.315 5.840 358 3HD1 ILE1005 3HD1 ILE1005 10.620 -5.294 5.220 359 H LEU1006 H LEU1006 13.882 -2.120 2.963 360 HA LEU1006 HA LEU1006 13.786 -3.288 0.326 361 1HB LEU1006 2HB LEU1006 16.107 -2.944 2.227 362 2HB LEU1006 1HB LEU1006 16.231 -3.451 0.554 363 HG LEU1006 HG LEU1006 15.104 -1.188 0.008 364 1HD1 LEU1006 1HD1 LEU1006 15.534 0.578 1.630 365 2HD1 LEU1006 2HD1 LEU1006 16.132 -0.616 2.782 366 3HD1 LEU1006 3HD1 LEU1006 14.439 -0.637 2.288 367 1HD2 LEU1006 1HD2 LEU1006 17.277 -0.062 0.006 368 2HD2 LEU1006 2HD2 LEU1006 17.407 -1.730 -0.553 369 3HD2 LEU1006 3HD2 LEU1006 17.918 -1.305 1.080 370 H SER1007 H SER1007 14.019 -5.400 -0.214 371 HA SER1007 HA SER1007 14.167 -7.325 2.011 372 1HB SER1007 1HB SER1007 12.785 -7.614 -0.668 373 2HB SER1007 2HB SER1007 12.877 -8.870 0.567 374 HG SER1007 HG SER1007 11.804 -7.322 1.977 375 H GLY1008 H GLY1008 16.430 -6.161 0.595 376 1HA GLY1008 2HA GLY1008 18.439 -7.619 0.416 377 2HA GLY1008 1HA GLY1008 17.489 -8.605 -0.685 378 H ASN1009 H ASN1009 17.236 -7.973 -2.807 379 HA ASN1009 HA ASN1009 18.907 -5.698 -3.638 380 1HB ASN1009 1HB ASN1009 18.105 -8.159 -5.206 381 2HB ASN1009 2HB ASN1009 19.108 -6.845 -5.813 382 1HD2 ASN1009 2HD2 ASN1009 21.207 -6.608 -5.046 383 2HD2 ASN1009 1HD2 ASN1009 22.028 -7.883 -4.217 384 H THR1010 H THR1010 15.855 -6.173 -2.960 385 HA THR1010 HA THR1010 14.936 -4.274 -4.960 386 HB THR1010 HB THR1010 13.476 -6.888 -4.519 387 HG1 THR1010 1HG THR1010 13.999 -7.113 -6.823 388 1HG2 THR1010 1HG2 THR1010 11.953 -5.016 -4.892 389 2HG2 THR1010 2HG2 THR1010 11.984 -6.080 -6.299 390 3HG2 THR1010 3HG2 THR1010 12.859 -4.550 -6.331 391 H ALA1011 H ALA1011 13.876 -2.718 -3.934 392 HA ALA1011 HA ALA1011 12.836 -3.238 -1.251 393 1HB ALA1011 1HB ALA1011 14.385 -1.358 -1.547 394 2HB ALA1011 2HB ALA1011 12.803 -0.823 -0.981 395 3HB ALA1011 3HB ALA1011 13.253 -0.610 -2.673 396 H HIS1012 H HIS1012 10.739 -3.468 -0.875 397 HA HIS1012 HA HIS1012 8.799 -2.104 -2.583 398 1HB HIS1012 2HB HIS1012 7.419 -4.151 -2.761 399 2HB HIS1012 1HB HIS1012 8.975 -4.322 -3.567 400 HD1 HIS1012 1HD HIS1012 6.879 -5.783 -0.919 401 HD2 HIS1012 2HD HIS1012 10.832 -6.017 -2.177 402 HE1 HIS1012 1HE HIS1012 7.819 -7.832 0.195 403 HE2 HIS1012 2HE HIS1012 10.184 -8.005 -0.653 404 H TRP1013 H TRP1013 6.481 -2.664 -1.606 405 HA TRP1013 HA TRP1013 6.637 -1.727 1.128 406 1HB TRP1013 2HB TRP1013 4.238 -2.187 -0.658 407 2HB TRP1013 1HB TRP1013 4.201 -1.404 0.918 408 HD1 TRP1013 HD TRP1013 5.119 -0.774 -2.716 409 HE1 TRP1013 1HE TRP1013 5.604 1.734 -3.035 410 HE3 TRP1013 3HE TRP1013 5.089 0.690 2.183 411 HZ2 TRP1013 2HZ TRP1013 5.928 4.029 -1.424 412 HZ3 TRP1013 3HZ TRP1013 5.494 3.060 2.708 413 HH2 TRP1013 HH TRP1013 5.906 4.694 0.940 414 H SER1014 H SER1014 5.882 -2.769 2.935 415 HA SER1014 HA SER1014 6.369 -5.494 3.051 416 1HB SER1014 2HB SER1014 4.735 -3.833 4.985 417 2HB SER1014 1HB SER1014 5.452 -5.406 5.332 418 HG SER1014 HG SER1014 6.657 -2.911 5.092 419 H THR1015 H THR1015 3.179 -4.118 3.829 420 HA THR1015 HA THR1015 1.879 -6.605 3.600 421 HB THR1015 HB THR1015 -0.223 -5.339 3.780 422 HG1 THR1015 1HG THR1015 -0.220 -3.374 3.010 423 1HG2 THR1015 1HG2 THR1015 0.221 -4.266 5.940 424 2HG2 THR1015 2HG2 THR1015 1.953 -4.313 5.609 425 3HG2 THR1015 3HG2 THR1015 1.053 -5.816 5.813 426 H LYS1016 H LYS1016 0.792 -7.578 1.983 427 HA LYS1016 HA LYS1016 1.188 -6.853 -0.709 428 1HB LYS1016 2HB LYS1016 -0.179 -8.696 -1.266 429 2HB LYS1016 1HB LYS1016 0.620 -9.156 0.230 430 1HG LYS1016 2HG LYS1016 -2.187 -8.081 0.032 431 2HG LYS1016 1HG LYS1016 -1.755 -9.786 0.176 432 1HD LYS1016 1HD LYS1016 -0.634 -9.271 2.329 433 2HD LYS1016 2HD LYS1016 -1.216 -7.609 2.193 434 1HE LYS1016 2HE LYS1016 -2.665 -8.928 3.643 435 2HE LYS1016 1HE LYS1016 -3.521 -8.406 2.193 436 1HZ LYS1016 1HZ LYS1016 -2.352 -11.100 2.639 437 2HZ LYS1016 2HZ LYS1016 -3.162 -10.601 1.240 438 3HZ LYS1016 3HZ LYS1016 -3.998 -10.711 2.705 439 HA PRO1017 HA PRO1017 -1.988 -3.878 -1.568 440 1HB PRO1017 1HB PRO1017 -2.863 -4.761 -4.018 441 2HB PRO1017 2HB PRO1017 -1.395 -3.812 -3.774 442 1HG PRO1017 1HG PRO1017 -1.709 -6.769 -4.111 443 2HG PRO1017 2HG PRO1017 -0.484 -5.685 -4.801 444 1HD PRO1017 2HD PRO1017 0.045 -7.246 -2.679 445 2HD PRO1017 1HD PRO1017 0.742 -5.620 -2.836 446 HA PRO1018 HA PRO1018 -5.256 -6.596 -0.008 447 1HB PRO1018 1HB PRO1018 -6.343 -4.256 1.317 448 2HB PRO1018 2HB PRO1018 -5.586 -5.679 2.032 449 1HG PRO1018 1HG PRO1018 -4.451 -3.202 2.067 450 2HG PRO1018 2HG PRO1018 -3.515 -4.707 2.091 451 1HD PRO1018 1HD PRO1018 -4.098 -2.874 -0.205 452 2HD PRO1018 2HD PRO1018 -2.590 -3.717 0.212 453 H ILE1019 H ILE1019 -7.452 -6.864 -0.409 454 HA ILE1019 HA ILE1019 -8.595 -5.118 -2.453 455 HB ILE1019 HB ILE1019 -9.901 -7.593 -1.353 456 1HG1 ILE1019 2HG1 ILE1019 -7.902 -7.477 -3.625 457 2HG1 ILE1019 1HG1 ILE1019 -7.571 -8.141 -2.029 458 1HG2 ILE1019 1HG2 ILE1019 -11.267 -6.159 -2.760 459 2HG2 ILE1019 2HG2 ILE1019 -10.912 -7.675 -3.587 460 3HG2 ILE1019 3HG2 ILE1019 -10.041 -6.207 -4.027 461 1HD1 ILE1019 1HD1 ILE1019 -8.028 -9.900 -3.628 462 2HD1 ILE1019 2HD1 ILE1019 -9.600 -9.185 -3.989 463 3HD1 ILE1019 3HD1 ILE1019 -9.278 -9.848 -2.386 464 H CYS1020 H CYS1020 -10.913 -4.519 -2.252 465 HA CYS1020 HA CYS1020 -11.441 -3.602 0.485 466 1HB CYS1020 1HB CYS1020 -12.664 -2.625 -2.102 467 2HB CYS1020 2HB CYS1020 -12.847 -1.891 -0.513 468 H GLN1021 H GLN1021 -12.533 -5.252 1.446 469 HA GLN1021 HA GLN1021 -14.378 -6.944 0.177 470 1HB GLN1021 1HB GLN1021 -13.240 -7.534 2.267 471 2HB GLN1021 2HB GLN1021 -14.121 -6.270 3.113 472 1HG GLN1021 1HG GLN1021 -15.096 -8.433 3.564 473 2HG GLN1021 2HG GLN1021 -16.223 -7.428 2.655 474 1HE2 GLN1021 1HE2 GLN1021 -17.367 -9.194 1.895 475 2HE2 GLN1021 2HE2 GLN1021 -16.736 -10.255 0.687 476 H ARG1022 H ARG1022 -16.405 -6.634 -0.438 477 HA ARG1022 HA ARG1022 -17.780 -4.189 0.325 478 1HB ARG1022 1HB ARG1022 -17.617 -5.392 -2.048 479 2HB ARG1022 2HB ARG1022 -19.042 -6.227 -1.447 480 1HG ARG1022 2HG ARG1022 -18.756 -3.236 -1.634 481 2HG ARG1022 1HG ARG1022 -19.573 -4.253 -2.822 482 1HD ARG1022 2HD ARG1022 -21.127 -5.008 -1.056 483 2HD ARG1022 1HD ARG1022 -20.342 -3.901 0.072 484 HE ARG1022 HE ARG1022 -21.438 -2.752 -2.369 485 1HH1 ARG1022 1HH1 ARG1022 -21.781 -3.338 1.048 486 2HH1 ARG1022 2HH1 ARG1022 -22.977 -2.105 1.270 487 1HH2 ARG1022 1HH2 ARG1022 -23.012 -1.127 -2.087 488 2HH2 ARG1022 2HH2 ARG1022 -23.677 -0.848 -0.511 489 H ILE1023 H ILE1023 -18.198 -4.727 2.537 490 HA ILE1023 HA ILE1023 -19.500 -7.052 3.390 491 HB ILE1023 HB ILE1023 -20.035 -5.743 5.429 492 1HG1 ILE1023 1HG1 ILE1023 -18.649 -3.479 3.987 493 2HG1 ILE1023 2HG1 ILE1023 -20.384 -3.566 4.275 494 1HG2 ILE1023 1HG2 ILE1023 -17.704 -5.383 6.106 495 2HG2 ILE1023 2HG2 ILE1023 -17.211 -5.504 4.417 496 3HG2 ILE1023 3HG2 ILE1023 -17.915 -6.900 5.231 497 1HD1 ILE1023 1HD1 ILE1023 -19.986 -3.521 6.680 498 2HD1 ILE1023 2HD1 ILE1023 -19.298 -2.110 5.878 499 3HD1 ILE1023 3HD1 ILE1023 -18.249 -3.431 6.390 500 HA PRO1024 HA PRO1024 -23.680 -6.355 2.115 501 1HB PRO1024 1HB PRO1024 -24.978 -7.910 3.924 502 2HB PRO1024 2HB PRO1024 -24.058 -8.575 2.570 503 1HG PRO1024 2HG PRO1024 -23.251 -8.255 5.436 504 2HG PRO1024 1HG PRO1024 -22.995 -9.634 4.351 505 1HD PRO1024 1HD PRO1024 -21.051 -7.831 4.893 506 2HD PRO1024 2HD PRO1024 -21.181 -8.648 3.322 Start of MODEL 8 1 1H GLU 957 1HT GLU 957 26.996 5.929 -3.802 2 2H GLU 957 2HT GLU 957 28.297 5.570 -2.784 3 3H GLU 957 3HT GLU 957 26.975 6.444 -2.191 4 HA GLU 957 HA GLU 957 26.910 3.634 -3.123 5 1HB GLU 957 1HB GLU 957 28.106 3.925 -0.990 6 2HB GLU 957 2HB GLU 957 26.722 4.785 -0.330 7 1HG GLU 957 1HG GLU 957 26.769 2.502 0.463 8 2HG GLU 957 2HG GLU 957 25.358 2.773 -0.560 9 H ALA 958 H ALA 958 25.140 6.079 -1.218 10 HA ALA 958 HA ALA 958 22.628 4.912 -2.213 11 1HB ALA 958 1HB ALA 958 22.879 4.898 0.222 12 2HB ALA 958 2HB ALA 958 21.546 5.934 -0.284 13 3HB ALA 958 3HB ALA 958 23.080 6.650 0.211 14 H GLU 959 H GLU 959 21.796 5.978 -3.879 15 HA GLU 959 HA GLU 959 22.282 8.855 -4.137 16 1HB GLU 959 2HB GLU 959 22.754 7.205 -6.028 17 2HB GLU 959 1HB GLU 959 21.011 7.052 -6.193 18 1HG GLU 959 2HG GLU 959 22.493 9.660 -6.401 19 2HG GLU 959 1HG GLU 959 22.080 8.643 -7.780 20 H ALA 960 H ALA 960 19.539 6.762 -5.028 21 HA ALA 960 HA ALA 960 17.709 8.077 -3.283 22 1HB ALA 960 1HB ALA 960 16.336 9.189 -4.960 23 2HB ALA 960 2HB ALA 960 17.486 8.738 -6.218 24 3HB ALA 960 3HB ALA 960 17.968 9.857 -4.943 25 H LYS 961 H LYS 961 16.420 6.461 -2.723 26 HA LYS 961 HA LYS 961 15.645 4.494 -4.773 27 1HB LYS 961 1HB LYS 961 16.922 3.542 -2.903 28 2HB LYS 961 2HB LYS 961 15.740 4.179 -1.767 29 1HG LYS 961 1HG LYS 961 14.022 2.746 -2.736 30 2HG LYS 961 2HG LYS 961 15.196 2.117 -3.894 31 1HD LYS 961 1HD LYS 961 15.454 1.890 -0.897 32 2HD LYS 961 2HD LYS 961 14.826 0.620 -1.949 33 1HE LYS 961 1HE LYS 961 16.960 0.562 -3.147 34 2HE LYS 961 2HE LYS 961 17.588 1.825 -2.089 35 1HZ LYS 961 1HZ LYS 961 16.710 -0.875 -1.219 36 2HZ LYS 961 2HZ LYS 961 17.321 0.336 -0.208 37 3HZ LYS 961 3HZ LYS 961 18.314 -0.366 -1.383 38 H SER 962 H SER 962 13.517 4.037 -5.119 39 HA SER 962 HA SER 962 11.523 5.404 -3.456 40 1HB SER 962 1HB SER 962 11.912 6.849 -5.394 41 2HB SER 962 2HB SER 962 11.616 5.492 -6.482 42 HG SER 962 HG SER 962 9.659 6.318 -6.405 43 H CYS 963 H CYS 963 9.553 4.372 -3.278 44 HA CYS 963 HA CYS 963 9.557 1.578 -4.108 45 1HB CYS 963 2HB CYS 963 7.697 3.079 -2.252 46 2HB CYS 963 1HB CYS 963 7.655 1.344 -2.550 47 H LYS 964 H LYS 964 8.174 0.700 -5.545 48 HA LYS 964 HA LYS 964 5.942 2.299 -6.548 49 1HB LYS 964 1HB LYS 964 6.594 1.739 -8.898 50 2HB LYS 964 2HB LYS 964 7.694 2.847 -8.088 51 1HG LYS 964 1HG LYS 964 9.237 0.997 -7.655 52 2HG LYS 964 2HG LYS 964 8.140 -0.102 -8.494 53 1HD LYS 964 1HD LYS 964 9.428 2.324 -9.740 54 2HD LYS 964 2HD LYS 964 10.023 0.671 -9.909 55 1HE LYS 964 1HE LYS 964 7.910 0.018 -10.955 56 2HE LYS 964 2HE LYS 964 7.315 1.670 -10.787 57 1HZ LYS 964 1HZ LYS 964 9.104 2.420 -12.232 58 2HZ LYS 964 2HZ LYS 964 8.146 1.262 -13.011 59 3HZ LYS 964 3HZ LYS 964 9.663 0.831 -12.400 60 H THR 965 H THR 965 4.276 1.017 -6.077 61 HA THR 965 HA THR 965 4.073 -1.610 -7.200 62 HB THR 965 HB THR 965 4.224 -1.372 -4.192 63 HG1 THR 965 1HG THR 965 6.263 -1.762 -4.620 64 1HG2 THR 965 1HG2 THR 965 3.643 -3.772 -5.935 65 2HG2 THR 965 2HG2 THR 965 2.490 -2.950 -4.883 66 3HG2 THR 965 3HG2 THR 965 3.868 -3.801 -4.185 67 HA PRO 966 HA PRO 966 0.099 -0.594 -4.484 68 1HB PRO 966 2HB PRO 966 -0.117 2.154 -4.057 69 2HB PRO 966 1HB PRO 966 0.357 0.957 -2.849 70 1HG PRO 966 1HG PRO 966 2.066 2.743 -4.524 71 2HG PRO 966 2HG PRO 966 2.273 2.251 -2.832 72 1HD PRO 966 1HD PRO 966 3.743 1.152 -4.775 73 2HD PRO 966 2HD PRO 966 3.148 0.176 -3.415 74 HA PRO 967 HA PRO 967 -1.399 0.785 -8.557 75 1HB PRO 967 2HB PRO 967 -3.494 -1.178 -8.197 76 2HB PRO 967 1HB PRO 967 -2.181 -1.175 -9.374 77 1HG PRO 967 2HG PRO 967 -2.370 -2.969 -7.321 78 2HG PRO 967 1HG PRO 967 -0.838 -2.485 -8.069 79 1HD PRO 967 1HD PRO 967 -2.077 -1.548 -5.509 80 2HD PRO 967 2HD PRO 967 -0.378 -1.922 -5.869 81 H ASP 968 H ASP 968 -4.001 0.874 -9.131 82 HA ASP 968 HA ASP 968 -5.135 2.632 -7.090 83 1HB ASP 968 2HB ASP 968 -6.039 2.094 -9.928 84 2HB ASP 968 1HB ASP 968 -6.735 3.292 -8.840 85 HA PRO 969 HA PRO 969 -7.407 -1.051 -5.819 86 1HB PRO 969 2HB PRO 969 -8.624 0.140 -3.674 87 2HB PRO 969 1HB PRO 969 -6.984 -0.514 -3.637 88 1HG PRO 969 1HG PRO 969 -7.890 2.315 -4.001 89 2HG PRO 969 2HG PRO 969 -6.552 1.686 -3.022 90 1HD PRO 969 2HD PRO 969 -6.140 2.820 -5.428 91 2HD PRO 969 1HD PRO 969 -5.154 1.459 -4.853 92 H VAL 970 H VAL 970 -9.341 -1.748 -6.480 93 HA VAL 970 HA VAL 970 -11.194 -0.072 -7.794 94 HB VAL 970 HB VAL 970 -10.972 -2.473 -8.300 95 1HG1 VAL 970 1HG1 VAL 970 -10.639 -3.323 -6.052 96 2HG1 VAL 970 2HG1 VAL 970 -12.007 -4.135 -6.815 97 3HG1 VAL 970 3HG1 VAL 970 -12.287 -2.872 -5.615 98 1HG2 VAL 970 1HG2 VAL 970 -13.730 -1.663 -7.385 99 2HG2 VAL 970 2HG2 VAL 970 -13.364 -2.974 -8.506 100 3HG2 VAL 970 3HG2 VAL 970 -13.005 -1.306 -8.952 101 H ASN 971 H ASN 971 -13.158 0.759 -7.168 102 HA ASN 971 HA ASN 971 -14.617 1.778 -5.747 103 1HB ASN 971 1HB ASN 971 -14.311 -0.840 -4.259 104 2HB ASN 971 2HB ASN 971 -15.593 0.337 -3.984 105 1HD2 ASN 971 1HD2 ASN 971 -15.755 -2.446 -4.831 106 2HD2 ASN 971 2HD2 ASN 971 -16.598 -2.439 -6.338 107 H GLY 972 H GLY 972 -12.391 2.985 -5.353 108 1HA GLY 972 2HA GLY 972 -12.366 4.066 -2.852 109 2HA GLY 972 1HA GLY 972 -11.294 2.681 -2.709 110 H MET 973 H MET 973 -9.545 4.093 -2.267 111 HA MET 973 HA MET 973 -8.095 4.904 -4.583 112 1HB MET 973 1HB MET 973 -7.919 7.307 -3.997 113 2HB MET 973 2HB MET 973 -9.541 6.838 -4.484 114 1HG MET 973 2HG MET 973 -10.222 6.748 -2.143 115 2HG MET 973 1HG MET 973 -8.595 7.214 -1.651 116 1HE MET 973 1HE MET 973 -9.636 9.212 -0.208 117 2HE MET 973 2HE MET 973 -11.251 8.725 -0.721 118 3HE MET 973 3HE MET 973 -10.748 10.409 -0.872 119 H VAL 974 H VAL 974 -5.947 4.944 -4.179 120 HA VAL 974 HA VAL 974 -5.046 4.234 -1.535 121 HB VAL 974 HB VAL 974 -4.011 3.185 -3.480 122 1HG1 VAL 974 1HG1 VAL 974 -3.034 5.955 -4.163 123 2HG1 VAL 974 2HG1 VAL 974 -4.219 5.012 -5.069 124 3HG1 VAL 974 3HG1 VAL 974 -2.544 4.466 -4.971 125 1HG2 VAL 974 1HG2 VAL 974 -2.101 4.967 -1.973 126 2HG2 VAL 974 2HG2 VAL 974 -1.660 3.516 -2.874 127 3HG2 VAL 974 3HG2 VAL 974 -2.689 3.391 -1.446 128 H HIS 975 H HIS 975 -3.658 5.425 -0.207 129 HA HIS 975 HA HIS 975 -4.255 8.187 -0.130 130 1HB HIS 975 1HB HIS 975 -3.862 6.848 1.897 131 2HB HIS 975 2HB HIS 975 -2.179 6.634 1.429 132 HD1 HIS 975 1HD HIS 975 -4.479 8.987 3.092 133 HD2 HIS 975 2HD HIS 975 -0.594 9.006 1.620 134 HE1 HIS 975 1HE HIS 975 -3.396 11.029 4.083 135 HE2 HIS 975 2HE HIS 975 -1.078 11.076 3.096 136 H VAL 976 H VAL 976 -1.099 6.558 -0.491 137 HA VAL 976 HA VAL 976 0.873 7.231 -1.396 138 HB VAL 976 HB VAL 976 -1.004 8.769 -3.182 139 1HG1 VAL 976 1HG1 VAL 976 1.206 9.801 -3.235 140 2HG1 VAL 976 2HG1 VAL 976 0.875 8.959 -4.749 141 3HG1 VAL 976 3HG1 VAL 976 1.943 8.230 -3.549 142 1HG2 VAL 976 1HG2 VAL 976 0.432 6.145 -3.556 143 2HG2 VAL 976 2HG2 VAL 976 -0.556 6.953 -4.774 144 3HG2 VAL 976 3HG2 VAL 976 -1.297 6.364 -3.286 145 H ILE 977 H ILE 977 1.951 8.355 0.128 146 HA ILE 977 HA ILE 977 1.253 10.817 1.222 147 HB ILE 977 HB ILE 977 4.037 9.682 0.911 148 1HG1 ILE 977 1HG1 ILE 977 2.509 8.129 2.045 149 2HG1 ILE 977 2HG1 ILE 977 3.702 8.775 3.167 150 1HG2 ILE 977 1HG2 ILE 977 2.967 11.766 2.811 151 2HG2 ILE 977 2HG2 ILE 977 4.081 12.044 1.471 152 3HG2 ILE 977 3HG2 ILE 977 4.590 11.076 2.855 153 1HD1 ILE 977 1HD1 ILE 977 0.846 9.685 2.911 154 2HD1 ILE 977 2HD1 ILE 977 2.040 10.338 4.033 155 3HD1 ILE 977 3HD1 ILE 977 1.507 8.664 4.187 156 H THR 978 H THR 978 4.155 10.456 -0.800 157 HA THR 978 HA THR 978 3.348 12.569 -2.586 158 HB THR 978 HB THR 978 5.675 13.064 -0.716 159 HG1 THR 978 1HG THR 978 4.314 14.827 -0.020 160 1HG2 THR 978 1HG2 THR 978 6.074 13.939 -2.963 161 2HG2 THR 978 2HG2 THR 978 5.802 15.253 -1.819 162 3HG2 THR 978 3HG2 THR 978 4.517 14.768 -2.925 163 H ASP 979 H ASP 979 6.441 11.279 -1.363 164 HA ASP 979 HA ASP 979 7.175 10.634 -4.135 165 1HB ASP 979 1HB ASP 979 8.931 10.968 -1.694 166 2HB ASP 979 2HB ASP 979 9.504 10.620 -3.323 167 H ILE 980 H ILE 980 6.107 9.230 -1.309 168 HA ILE 980 HA ILE 980 6.148 7.091 -0.452 169 HB ILE 980 HB ILE 980 5.314 5.433 -2.071 170 1HG1 ILE 980 2HG1 ILE 980 5.664 7.628 -4.128 171 2HG1 ILE 980 1HG1 ILE 980 6.681 6.195 -4.010 172 1HG2 ILE 980 1HG2 ILE 980 4.035 8.154 -2.281 173 2HG2 ILE 980 2HG2 ILE 980 3.768 6.968 -1.004 174 3HG2 ILE 980 3HG2 ILE 980 3.248 6.621 -2.654 175 1HD1 ILE 980 1HD1 ILE 980 5.019 5.961 -5.762 176 2HD1 ILE 980 2HD1 ILE 980 3.729 6.212 -4.586 177 3HD1 ILE 980 3HD1 ILE 980 4.755 4.781 -4.478 178 H GLN 981 H GLN 981 8.751 7.808 -0.649 179 HA GLN 981 HA GLN 981 10.179 5.690 -2.047 180 1HB GLN 981 2HB GLN 981 11.203 7.999 -0.383 181 2HB GLN 981 1HB GLN 981 12.210 6.872 -1.282 182 1HG GLN 981 1HG GLN 981 11.268 7.634 -3.370 183 2HG GLN 981 2HG GLN 981 10.154 8.696 -2.508 184 1HE2 GLN 981 1HE2 GLN 981 10.931 10.569 -1.548 185 2HE2 GLN 981 2HE2 GLN 981 12.476 11.235 -1.945 186 H VAL 982 H VAL 982 12.277 5.098 -0.491 187 HA VAL 982 HA VAL 982 11.302 3.194 1.305 188 HB VAL 982 HB VAL 982 13.508 2.964 0.340 189 1HG1 VAL 982 1HG2 VAL 982 15.380 4.383 1.049 190 2HG1 VAL 982 2HG2 VAL 982 14.261 5.386 1.972 191 3HG1 VAL 982 3HG2 VAL 982 14.131 5.308 0.214 192 1HG2 VAL 982 1HG1 VAL 982 13.651 3.283 3.336 193 2HG2 VAL 982 2HG1 VAL 982 14.789 2.373 2.345 194 3HG2 VAL 982 3HG1 VAL 982 13.111 1.848 2.466 195 H GLY 983 H GLY 983 10.817 3.211 3.428 196 1HA GLY 983 2HA GLY 983 10.980 3.986 5.661 197 2HA GLY 983 1HA GLY 983 11.600 5.515 5.058 198 H SER 984 H SER 984 9.366 5.508 3.005 199 HA SER 984 HA SER 984 7.525 7.029 4.585 200 1HB SER 984 1HB SER 984 8.056 7.685 2.280 201 2HB SER 984 2HB SER 984 7.362 6.178 1.684 202 HG SER 984 HG SER 984 5.431 6.988 1.902 203 H ARG 985 H ARG 985 5.204 6.660 4.639 204 HA ARG 985 HA ARG 985 4.426 3.839 4.449 205 1HB ARG 985 2HB ARG 985 5.102 4.288 6.773 206 2HB ARG 985 1HB ARG 985 3.949 5.613 6.849 207 1HG ARG 985 2HG ARG 985 2.113 4.028 6.511 208 2HG ARG 985 1HG ARG 985 3.280 2.704 6.467 209 1HD ARG 985 2HD ARG 985 2.337 2.809 8.667 210 2HD ARG 985 1HD ARG 985 4.013 3.351 8.747 211 HE ARG 985 HE ARG 985 2.343 5.580 8.400 212 1HH1 ARG 985 1HH1 ARG 985 3.161 3.184 10.793 213 2HH1 ARG 985 2HH1 ARG 985 2.802 4.216 12.137 214 1HH2 ARG 985 1HH2 ARG 985 1.869 6.947 10.163 215 2HH2 ARG 985 2HH2 ARG 985 2.067 6.355 11.779 216 H ILE 986 H ILE 986 2.835 3.870 2.989 217 HA ILE 986 HA ILE 986 0.873 6.042 3.026 218 HB ILE 986 HB ILE 986 0.060 5.139 0.908 219 1HG1 ILE 986 1HG1 ILE 986 2.251 3.070 1.204 220 2HG1 ILE 986 2HG1 ILE 986 0.530 2.751 1.397 221 1HG2 ILE 986 1HG2 ILE 986 1.873 6.754 0.860 222 2HG2 ILE 986 2HG2 ILE 986 2.050 5.591 -0.454 223 3HG2 ILE 986 3HG2 ILE 986 3.058 5.454 0.986 224 1HD1 ILE 986 1HD1 ILE 986 1.320 2.042 -0.783 225 2HD1 ILE 986 2HD1 ILE 986 1.877 3.679 -1.128 226 3HD1 ILE 986 3HD1 ILE 986 0.154 3.357 -0.933 227 H THR 987 H THR 987 -1.450 5.272 2.517 228 HA THR 987 HA THR 987 -2.094 2.864 4.077 229 HB THR 987 HB THR 987 -3.982 4.043 5.140 230 HG1 THR 987 1HG THR 987 -4.384 5.753 3.796 231 1HG2 THR 987 1HG2 THR 987 -1.866 3.855 6.347 232 2HG2 THR 987 2HG2 THR 987 -2.667 5.380 6.725 233 3HG2 THR 987 3HG2 THR 987 -1.301 5.354 5.609 234 H TYR 988 H TYR 988 -3.509 1.567 3.103 235 HA TYR 988 HA TYR 988 -4.831 2.491 0.674 236 1HB TYR 988 2HB TYR 988 -4.716 -0.285 1.877 237 2HB TYR 988 1HB TYR 988 -5.323 0.129 0.277 238 HD1 TYR 988 1HD TYR 988 -2.338 -0.353 2.327 239 HD2 TYR 988 2HD TYR 988 -3.790 0.726 -1.523 240 HE1 TYR 988 1HE TYR 988 -0.081 -0.656 1.398 241 HE2 TYR 988 2HE TYR 988 -1.537 0.426 -2.463 242 HH TYR 988 HH TYR 988 0.967 -1.119 -0.778 243 H SER 989 H SER 989 -6.903 3.070 0.613 244 HA SER 989 HA SER 989 -8.706 2.107 2.725 245 1HB SER 989 1HB SER 989 -9.709 4.360 2.878 246 2HB SER 989 2HB SER 989 -8.005 4.372 3.335 247 HG SER 989 HG SER 989 -9.259 5.452 1.087 248 H CYS 990 H CYS 990 -10.550 1.299 1.978 249 HA CYS 990 HA CYS 990 -11.215 1.617 -0.838 250 1HB CYS 990 2HB CYS 990 -12.467 -0.094 1.321 251 2HB CYS 990 1HB CYS 990 -12.940 -0.107 -0.375 252 H THR 991 H THR 991 -13.858 1.504 -1.016 253 HA THR 991 HA THR 991 -14.743 4.085 -0.094 254 HB THR 991 HB THR 991 -15.418 3.407 -2.307 255 HG1 THR 991 1HG THR 991 -17.017 4.374 -0.576 256 1HG2 THR 991 1HG2 THR 991 -15.373 0.987 -2.005 257 2HG2 THR 991 2HG2 THR 991 -16.919 1.500 -2.680 258 3HG2 THR 991 3HG2 THR 991 -16.799 1.078 -0.971 259 H THR 992 H THR 992 -16.732 4.423 1.098 260 HA THR 992 HA THR 992 -16.749 3.085 3.536 261 HB THR 992 HB THR 992 -17.655 5.291 3.439 262 HG1 THR 992 1HG THR 992 -19.136 4.824 4.879 263 1HG2 THR 992 1HG2 THR 992 -18.467 5.261 1.130 264 2HG2 THR 992 2HG2 THR 992 -19.718 5.833 2.233 265 3HG2 THR 992 3HG2 THR 992 -19.785 4.188 1.602 266 H GLY 993 H GLY 993 -17.446 1.140 4.089 267 1HA GLY 993 2HA GLY 993 -19.333 -0.378 4.300 268 2HA GLY 993 1HA GLY 993 -19.750 0.004 2.636 269 H HIS 994 H HIS 994 -16.411 -0.385 3.218 270 HA HIS 994 HA HIS 994 -16.484 -3.208 2.425 271 1HB HIS 994 1HB HIS 994 -14.923 -1.030 1.023 272 2HB HIS 994 2HB HIS 994 -14.667 -2.752 0.764 273 HD1 HIS 994 1HD HIS 994 -17.466 -0.202 0.434 274 HD2 HIS 994 2HD HIS 994 -16.216 -3.816 -1.192 275 HE1 HIS 994 1HE HIS 994 -19.049 -0.669 -1.463 276 HE2 HIS 994 2HE HIS 994 -18.329 -2.905 -2.373 277 H ARG 995 H ARG 995 -14.733 -4.438 3.097 278 HA ARG 995 HA ARG 995 -13.026 -3.123 5.101 279 1HB ARG 995 2HB ARG 995 -14.519 -4.936 5.906 280 2HB ARG 995 1HB ARG 995 -13.705 -6.057 4.823 281 1HG ARG 995 1HG ARG 995 -11.619 -5.738 6.020 282 2HG ARG 995 2HG ARG 995 -12.392 -4.558 7.081 283 1HD ARG 995 2HD ARG 995 -13.931 -6.296 7.874 284 2HD ARG 995 1HD ARG 995 -13.131 -7.471 6.831 285 HE ARG 995 HE ARG 995 -11.167 -6.353 8.432 286 1HH1 ARG 995 1HH1 ARG 995 -14.066 -8.239 8.850 287 2HH1 ARG 995 2HH1 ARG 995 -13.504 -9.021 10.289 288 1HH2 ARG 995 1HH2 ARG 995 -10.418 -7.378 10.326 289 2HH2 ARG 995 2HH2 ARG 995 -11.431 -8.531 11.129 290 H LEU 996 H LEU 996 -10.807 -3.757 5.279 291 HA LEU 996 HA LEU 996 -9.558 -3.923 2.706 292 1HB LEU 996 2HB LEU 996 -8.813 -2.620 4.831 293 2HB LEU 996 1HB LEU 996 -8.093 -4.140 5.316 294 HG LEU 996 HG LEU 996 -6.509 -2.551 4.230 295 1HD1 LEU 996 1HD2 LEU 996 -6.953 -5.160 2.790 296 2HD1 LEU 996 2HD2 LEU 996 -6.026 -4.928 4.274 297 3HD1 LEU 996 3HD2 LEU 996 -5.468 -4.208 2.763 298 1HD2 LEU 996 1HD1 LEU 996 -6.615 -2.253 1.810 299 2HD2 LEU 996 2HD1 LEU 996 -8.032 -1.569 2.606 300 3HD2 LEU 996 3HD1 LEU 996 -8.152 -3.116 1.768 301 H ILE 997 H ILE 997 -8.975 -5.709 1.666 302 HA ILE 997 HA ILE 997 -8.886 -8.274 3.007 303 HB ILE 997 HB ILE 997 -8.224 -7.566 0.144 304 1HG1 ILE 997 2HG1 ILE 997 -10.577 -7.124 0.803 305 2HG1 ILE 997 1HG1 ILE 997 -10.436 -8.405 -0.397 306 1HG2 ILE 997 1HG2 ILE 997 -7.133 -9.624 0.847 307 2HG2 ILE 997 2HG2 ILE 997 -8.441 -9.970 -0.284 308 3HG2 ILE 997 3HG2 ILE 997 -8.670 -10.252 1.441 309 1HD1 ILE 997 1HD1 ILE 997 -12.082 -8.967 1.284 310 2HD1 ILE 997 2HD1 ILE 997 -10.873 -8.782 2.555 311 3HD1 ILE 997 3HD1 ILE 997 -10.712 -10.075 1.366 312 H GLY 998 H GLY 998 -7.171 -7.873 4.476 313 1HA GLY 998 2HA GLY 998 -4.681 -8.758 4.043 314 2HA GLY 998 1HA GLY 998 -4.573 -7.123 3.417 315 H HIS 999 H HIS 999 -4.573 -5.401 4.811 316 HA HIS 999 HA HIS 999 -4.909 -5.900 7.664 317 1HB HIS 999 2HB HIS 999 -2.506 -6.268 7.199 318 2HB HIS 999 1HB HIS 999 -2.401 -4.643 6.529 319 HD1 HIS 999 1HD HIS 999 -2.475 -6.506 9.734 320 HD2 HIS 999 2HD HIS 999 -2.536 -2.558 8.443 321 HE1 HIS 999 1HE HIS 999 -1.996 -5.125 11.780 322 HE2 HIS 999 2HE HIS 999 -2.130 -2.735 10.992 323 H SER1000 H SER1000 -3.345 -3.172 6.041 324 HA SER1000 HA SER1000 -5.634 -1.590 5.686 325 1HB SER1000 1HB SER1000 -5.427 0.016 7.509 326 2HB SER1000 2HB SER1000 -5.673 -1.600 8.169 327 HG SER1000 HG SER1000 -3.652 0.084 8.604 328 H SER1001 H SER1001 -2.219 -1.414 6.647 329 HA SER1001 HA SER1001 -1.725 0.361 4.365 330 1HB SER1001 1HB SER1001 -0.290 1.807 5.764 331 2HB SER1001 2HB SER1001 -1.965 1.825 6.313 332 HG SER1001 HG SER1001 -1.209 0.087 7.808 333 H ALA1002 H ALA1002 0.829 0.762 4.336 334 HA ALA1002 HA ALA1002 2.238 -1.722 4.967 335 1HB ALA1002 1HB ALA1002 3.135 -1.917 2.712 336 2HB ALA1002 2HB ALA1002 2.183 -0.523 2.200 337 3HB ALA1002 3HB ALA1002 1.373 -2.010 2.695 338 H GLU1003 H GLU1003 4.635 -1.480 4.344 339 HA GLU1003 HA GLU1003 5.588 1.272 4.533 340 1HB GLU1003 1HB GLU1003 5.390 0.515 6.859 341 2HB GLU1003 2HB GLU1003 6.381 -0.892 6.492 342 1HG GLU1003 1HG GLU1003 8.268 0.572 5.977 343 2HG GLU1003 2HG GLU1003 7.275 1.980 6.354 344 H CYS1004 H CYS1004 7.486 1.613 3.487 345 HA CYS1004 HA CYS1004 8.431 -0.292 1.659 346 1HB CYS1004 1HB CYS1004 9.502 2.341 2.644 347 2HB CYS1004 2HB CYS1004 10.371 1.376 1.463 348 H ILE1005 H ILE1005 9.002 -2.178 2.753 349 HA ILE1005 HA ILE1005 11.360 -1.993 4.501 350 HB ILE1005 HB ILE1005 10.833 -4.407 5.035 351 1HG1 ILE1005 1HG1 ILE1005 8.195 -3.710 3.725 352 2HG1 ILE1005 2HG1 ILE1005 9.397 -4.798 3.042 353 1HG2 ILE1005 1HG2 ILE1005 10.322 -2.597 6.565 354 2HG2 ILE1005 2HG2 ILE1005 9.053 -3.820 6.615 355 3HG2 ILE1005 3HG2 ILE1005 8.788 -2.310 5.743 356 1HD1 ILE1005 1HD1 ILE1005 9.120 -6.299 4.945 357 2HD1 ILE1005 2HD1 ILE1005 7.598 -6.030 4.096 358 3HD1 ILE1005 3HD1 ILE1005 7.913 -5.209 5.625 359 H LEU1006 H LEU1006 13.106 -3.458 4.202 360 HA LEU1006 HA LEU1006 13.459 -4.264 1.398 361 1HB LEU1006 1HB LEU1006 15.428 -3.592 3.573 362 2HB LEU1006 2HB LEU1006 15.913 -4.372 2.081 363 HG LEU1006 HG LEU1006 14.525 -1.694 2.196 364 1HD1 LEU1006 1HD1 LEU1006 16.688 -1.551 3.302 365 2HD1 LEU1006 2HD1 LEU1006 16.728 -0.726 1.744 366 3HD1 LEU1006 3HD1 LEU1006 17.462 -2.320 1.916 367 1HD2 LEU1006 1HD2 LEU1006 15.987 -3.123 -0.020 368 2HD2 LEU1006 2HD2 LEU1006 15.311 -1.496 -0.112 369 3HD2 LEU1006 3HD2 LEU1006 14.243 -2.885 0.093 370 H SER1007 H SER1007 13.529 -6.348 0.881 371 HA SER1007 HA SER1007 13.812 -8.314 3.053 372 1HB SER1007 1HB SER1007 12.556 -8.630 0.314 373 2HB SER1007 2HB SER1007 12.663 -9.894 1.541 374 HG SER1007 HG SER1007 11.536 -7.509 2.373 375 H GLY1008 H GLY1008 15.205 -7.145 0.121 376 1HA GLY1008 1HA GLY1008 17.447 -8.976 0.474 377 2HA GLY1008 2HA GLY1008 16.604 -9.067 -1.065 378 H ASN1009 H ASN1009 16.552 -7.147 -2.405 379 HA ASN1009 HA ASN1009 18.580 -5.133 -1.769 380 1HB ASN1009 2HB ASN1009 19.556 -5.322 -4.024 381 2HB ASN1009 1HB ASN1009 19.740 -6.816 -3.110 382 1HD2 ASN1009 2HD2 ASN1009 18.550 -8.627 -3.695 383 2HD2 ASN1009 1HD2 ASN1009 17.775 -8.757 -5.234 384 H THR1010 H THR1010 15.527 -5.497 -2.228 385 HA THR1010 HA THR1010 15.219 -2.956 -3.616 386 HB THR1010 HB THR1010 13.656 -5.398 -4.476 387 HG1 THR1010 1HG THR1010 15.744 -3.934 -5.750 388 1HG2 THR1010 1HG2 THR1010 13.643 -2.560 -5.512 389 2HG2 THR1010 2HG2 THR1010 12.350 -3.335 -4.595 390 3HG2 THR1010 3HG2 THR1010 12.754 -3.913 -6.212 391 H ALA1011 H ALA1011 13.642 -1.727 -2.753 392 HA ALA1011 HA ALA1011 12.380 -2.630 -0.350 393 1HB ALA1011 1HB ALA1011 12.000 -0.045 -1.854 394 2HB ALA1011 2HB ALA1011 13.207 -0.337 -0.601 395 3HB ALA1011 3HB ALA1011 11.490 -0.375 -0.198 396 H HIS1012 H HIS1012 10.630 -3.861 -0.338 397 HA HIS1012 HA HIS1012 8.429 -3.163 -2.167 398 1HB HIS1012 1HB HIS1012 9.264 -5.924 -1.251 399 2HB HIS1012 2HB HIS1012 7.762 -5.575 -2.101 400 HD1 HIS1012 1HD HIS1012 7.895 -5.155 -4.620 401 HD2 HIS1012 2HD HIS1012 11.597 -5.778 -2.837 402 HE1 HIS1012 1HE HIS1012 9.509 -5.480 -6.520 403 HE2 HIS1012 2HE HIS1012 11.726 -5.943 -5.416 404 H TRP1013 H TRP1013 6.366 -3.173 -1.305 405 HA TRP1013 HA TRP1013 6.219 -2.491 1.438 406 1HB TRP1013 2HB TRP1013 3.958 -3.106 -0.476 407 2HB TRP1013 1HB TRP1013 3.820 -2.242 1.053 408 HD1 TRP1013 HD TRP1013 4.975 -1.780 -2.553 409 HE1 TRP1013 1HE TRP1013 5.335 0.727 -2.990 410 HE3 TRP1013 3HE TRP1013 4.455 -0.039 2.226 411 HZ2 TRP1013 2HZ TRP1013 5.388 3.129 -1.511 412 HZ3 TRP1013 3HZ TRP1013 4.674 2.380 2.629 413 HH2 TRP1013 HH TRP1013 5.133 3.928 0.798 414 H SER1014 H SER1014 5.178 -3.535 3.155 415 HA SER1014 HA SER1014 5.741 -6.264 3.367 416 1HB SER1014 1HB SER1014 4.487 -6.154 5.512 417 2HB SER1014 2HB SER1014 5.647 -4.839 5.332 418 HG SER1014 HG SER1014 3.475 -4.254 6.084 419 H THR1015 H THR1015 2.486 -4.803 3.540 420 HA THR1015 HA THR1015 1.199 -7.314 3.235 421 HB THR1015 HB THR1015 0.108 -5.503 4.442 422 HG1 THR1015 1HG THR1015 -1.435 -6.821 3.672 423 1HG2 THR1015 1HG2 THR1015 -0.040 -4.110 1.765 424 2HG2 THR1015 2HG2 THR1015 0.947 -3.613 3.138 425 3HG2 THR1015 3HG2 THR1015 -0.811 -3.564 3.253 426 H LYS1016 H LYS1016 -0.127 -8.042 1.522 427 HA LYS1016 HA LYS1016 0.937 -7.475 -1.093 428 1HB LYS1016 2HB LYS1016 -0.363 -9.318 -1.858 429 2HB LYS1016 1HB LYS1016 0.276 -9.772 -0.286 430 1HG LYS1016 2HG LYS1016 -2.494 -8.671 -0.680 431 2HG LYS1016 1HG LYS1016 -2.117 -10.394 -0.718 432 1HD LYS1016 1HD LYS1016 -1.132 -10.141 1.571 433 2HD LYS1016 2HD LYS1016 -1.762 -8.491 1.593 434 1HE LYS1016 1HE LYS1016 -4.022 -9.313 1.351 435 2HE LYS1016 2HE LYS1016 -3.435 -10.969 1.204 436 1HZ LYS1016 1HZ LYS1016 -3.133 -9.244 3.604 437 2HZ LYS1016 2HZ LYS1016 -2.597 -10.842 3.460 438 3HZ LYS1016 3HZ LYS1016 -4.253 -10.501 3.430 439 HA PRO1017 HA PRO1017 -1.908 -4.604 -2.913 440 1HB PRO1017 1HB PRO1017 -2.793 -6.875 -4.652 441 2HB PRO1017 2HB PRO1017 -2.372 -5.217 -5.099 442 1HG PRO1017 1HG PRO1017 -0.649 -7.210 -5.495 443 2HG PRO1017 2HG PRO1017 -0.090 -5.618 -4.950 444 1HD PRO1017 1HD PRO1017 -0.328 -8.163 -3.435 445 2HD PRO1017 2HD PRO1017 0.800 -6.812 -3.209 446 HA PRO1018 HA PRO1018 -5.305 -6.078 -0.318 447 1HB PRO1018 2HB PRO1018 -6.325 -3.639 0.271 448 2HB PRO1018 1HB PRO1018 -4.880 -4.286 1.056 449 1HG PRO1018 2HG PRO1018 -5.097 -2.345 -1.215 450 2HG PRO1018 1HG PRO1018 -4.036 -2.290 0.205 451 1HD PRO1018 2HD PRO1018 -3.180 -3.134 -2.222 452 2HD PRO1018 1HD PRO1018 -2.536 -3.786 -0.702 453 H ILE1019 H ILE1019 -7.474 -6.414 -0.612 454 HA ILE1019 HA ILE1019 -8.706 -5.180 -2.991 455 HB ILE1019 HB ILE1019 -9.598 -7.781 -1.764 456 1HG1 ILE1019 1HG1 ILE1019 -7.248 -8.045 -2.408 457 2HG1 ILE1019 2HG1 ILE1019 -8.296 -8.949 -3.496 458 1HG2 ILE1019 1HG2 ILE1019 -10.586 -8.144 -3.980 459 2HG2 ILE1019 2HG2 ILE1019 -9.981 -6.571 -4.500 460 3HG2 ILE1019 3HG2 ILE1019 -11.193 -6.671 -3.222 461 1HD1 ILE1019 1HD1 ILE1019 -8.090 -7.180 -5.163 462 2HD1 ILE1019 2HD1 ILE1019 -6.518 -7.839 -4.710 463 3HD1 ILE1019 3HD1 ILE1019 -7.037 -6.279 -4.074 464 H CYS1020 H CYS1020 -11.137 -5.030 -2.830 465 HA CYS1020 HA CYS1020 -11.856 -4.133 -0.120 466 1HB CYS1020 1HB CYS1020 -12.994 -3.195 -2.760 467 2HB CYS1020 2HB CYS1020 -13.377 -2.546 -1.169 468 H GLN1021 H GLN1021 -13.036 -5.667 0.842 469 HA GLN1021 HA GLN1021 -14.935 -7.240 -0.716 470 1HB GLN1021 2HB GLN1021 -15.165 -8.613 1.288 471 2HB GLN1021 1HB GLN1021 -13.470 -8.415 0.868 472 1HG GLN1021 1HG GLN1021 -13.157 -6.812 2.615 473 2HG GLN1021 2HG GLN1021 -14.885 -6.786 2.963 474 1HE2 GLN1021 2HE2 GLN1021 -14.579 -7.383 5.099 475 2HE2 GLN1021 1HE2 GLN1021 -14.117 -8.984 5.556 476 H ARG1022 H ARG1022 -17.138 -7.309 -0.307 477 HA ARG1022 HA ARG1022 -18.264 -4.879 0.762 478 1HB ARG1022 1HB ARG1022 -19.110 -5.995 -1.315 479 2HB ARG1022 2HB ARG1022 -19.698 -7.314 -0.313 480 1HG ARG1022 1HG ARG1022 -20.564 -4.520 0.273 481 2HG ARG1022 2HG ARG1022 -21.307 -5.412 -1.056 482 1HD ARG1022 1HD ARG1022 -21.180 -6.305 1.822 483 2HD ARG1022 2HD ARG1022 -22.597 -5.646 1.006 484 HE ARG1022 HE ARG1022 -21.607 -7.899 -0.392 485 1HH1 ARG1022 1HH1 ARG1022 -23.362 -7.007 2.483 486 2HH1 ARG1022 2HH1 ARG1022 -24.231 -8.502 2.571 487 1HH2 ARG1022 1HH2 ARG1022 -22.748 -9.869 -0.284 488 2HH2 ARG1022 2HH2 ARG1022 -23.882 -10.129 0.999 489 H ILE1023 H ILE1023 -18.401 -4.695 2.904 490 HA ILE1023 HA ILE1023 -18.497 -6.877 4.695 491 HB ILE1023 HB ILE1023 -19.258 -4.003 5.240 492 1HG1 ILE1023 1HG1 ILE1023 -16.581 -5.380 5.568 493 2HG1 ILE1023 2HG1 ILE1023 -16.985 -4.266 4.264 494 1HG2 ILE1023 1HG2 ILE1023 -18.675 -4.540 7.564 495 2HG2 ILE1023 2HG2 ILE1023 -18.397 -6.218 7.098 496 3HG2 ILE1023 3HG2 ILE1023 -20.015 -5.525 6.976 497 1HD1 ILE1023 1HD1 ILE1023 -17.312 -2.480 5.892 498 2HD1 ILE1023 2HD1 ILE1023 -15.690 -3.166 5.990 499 3HD1 ILE1023 3HD1 ILE1023 -16.903 -3.597 7.196 500 HA PRO1024 HA PRO1024 -22.858 -7.789 4.419 501 1HB PRO1024 2HB PRO1024 -22.982 -9.481 6.547 502 2HB PRO1024 1HB PRO1024 -22.326 -9.952 4.976 503 1HG PRO1024 1HG PRO1024 -20.881 -9.096 7.455 504 2HG PRO1024 2HG PRO1024 -20.501 -10.422 6.341 505 1HD PRO1024 2HD PRO1024 -19.205 -8.053 6.258 506 2HD PRO1024 1HD PRO1024 -19.520 -9.012 4.797 Start of MODEL 9 1 1H GLU 957 1HT GLU 957 20.294 9.762 -10.194 2 2H GLU 957 2HT GLU 957 20.579 11.252 -9.446 3 3H GLU 957 3HT GLU 957 19.135 10.421 -9.150 4 HA GLU 957 HA GLU 957 21.845 9.505 -8.384 5 1HB GLU 957 2HB GLU 957 19.565 10.551 -6.692 6 2HB GLU 957 1HB GLU 957 21.080 9.907 -6.074 7 1HG GLU 957 1HG GLU 957 20.774 12.365 -7.785 8 2HG GLU 957 2HG GLU 957 21.062 12.338 -6.045 9 H ALA 958 H ALA 958 21.839 7.372 -8.714 10 HA ALA 958 HA ALA 958 19.413 5.818 -8.301 11 1HB ALA 958 1HB ALA 958 20.668 3.961 -9.252 12 2HB ALA 958 2HB ALA 958 22.138 4.936 -9.249 13 3HB ALA 958 3HB ALA 958 20.783 5.387 -10.284 14 H GLU 959 H GLU 959 21.451 7.049 -6.214 15 HA GLU 959 HA GLU 959 22.320 4.764 -4.725 16 1HB GLU 959 2HB GLU 959 22.101 7.664 -3.899 17 2HB GLU 959 1HB GLU 959 22.935 6.408 -2.993 18 1HG GLU 959 1HG GLU 959 24.497 6.105 -4.846 19 2HG GLU 959 2HG GLU 959 23.661 7.364 -5.754 20 H ALA 960 H ALA 960 19.730 7.162 -4.320 21 HA ALA 960 HA ALA 960 18.593 5.625 -2.122 22 1HB ALA 960 1HB ALA 960 18.687 8.066 -1.939 23 2HB ALA 960 2HB ALA 960 17.026 7.474 -1.889 24 3HB ALA 960 3HB ALA 960 17.656 8.210 -3.363 25 H LYS 961 H LYS 961 17.568 3.835 -2.811 26 HA LYS 961 HA LYS 961 16.050 3.826 -5.271 27 1HB LYS 961 1HB LYS 961 17.387 1.868 -4.612 28 2HB LYS 961 2HB LYS 961 16.395 1.674 -3.175 29 1HG LYS 961 2HG LYS 961 14.455 1.191 -4.531 30 2HG LYS 961 1HG LYS 961 15.382 1.488 -6.003 31 1HD LYS 961 1HD LYS 961 16.003 -0.662 -3.981 32 2HD LYS 961 2HD LYS 961 15.119 -0.920 -5.487 33 1HE LYS 961 1HE LYS 961 17.071 -0.145 -6.754 34 2HE LYS 961 2HE LYS 961 17.954 0.080 -5.245 35 1HZ LYS 961 1HZ LYS 961 16.908 -2.503 -6.270 36 2HZ LYS 961 2HZ LYS 961 17.742 -2.291 -4.814 37 3HZ LYS 961 3HZ LYS 961 18.528 -2.015 -6.286 38 H SER 962 H SER 962 13.829 3.476 -5.460 39 HA SER 962 HA SER 962 12.263 4.011 -3.023 40 1HB SER 962 2HB SER 962 11.761 5.095 -5.805 41 2HB SER 962 1HB SER 962 10.710 5.342 -4.412 42 HG SER 962 HG SER 962 11.942 6.948 -3.902 43 H CYS 963 H CYS 963 9.896 3.439 -3.338 44 HA CYS 963 HA CYS 963 9.772 0.741 -4.419 45 1HB CYS 963 2HB CYS 963 7.793 2.321 -2.764 46 2HB CYS 963 1HB CYS 963 7.580 0.643 -3.251 47 H LYS 964 H LYS 964 7.843 0.054 -5.642 48 HA LYS 964 HA LYS 964 6.486 2.105 -7.182 49 1HB LYS 964 1HB LYS 964 7.197 1.171 -9.345 50 2HB LYS 964 2HB LYS 964 8.556 1.807 -8.429 51 1HG LYS 964 1HG LYS 964 9.160 -0.456 -7.740 52 2HG LYS 964 2HG LYS 964 7.798 -1.097 -8.661 53 1HD LYS 964 1HD LYS 964 8.770 -0.199 -10.721 54 2HD LYS 964 2HD LYS 964 10.132 0.440 -9.799 55 1HE LYS 964 1HE LYS 964 10.742 -1.829 -9.124 56 2HE LYS 964 2HE LYS 964 9.379 -2.469 -10.040 57 1HZ LYS 964 1HZ LYS 964 10.375 -1.602 -12.062 58 2HZ LYS 964 2HZ LYS 964 11.442 -2.655 -11.279 59 3HZ LYS 964 3HZ LYS 964 11.683 -0.984 -11.183 60 H THR 965 H THR 965 5.405 0.360 -5.348 61 HA THR 965 HA THR 965 4.405 -1.937 -6.863 62 HB THR 965 HB THR 965 4.372 -1.479 -3.880 63 HG1 THR 965 1HG THR 965 6.445 -1.939 -4.341 64 1HG2 THR 965 1HG2 THR 965 2.544 -2.925 -4.619 65 2HG2 THR 965 2HG2 THR 965 3.763 -3.853 -3.745 66 3HG2 THR 965 3HG2 THR 965 3.689 -3.933 -5.506 67 HA PRO 966 HA PRO 966 0.564 -0.221 -4.281 68 1HB PRO 966 2HB PRO 966 0.540 2.589 -4.519 69 2HB PRO 966 1HB PRO 966 0.853 1.656 -3.055 70 1HG PRO 966 2HG PRO 966 2.774 2.906 -4.953 71 2HG PRO 966 1HG PRO 966 2.901 2.692 -3.197 72 1HD PRO 966 2HD PRO 966 4.295 1.151 -4.879 73 2HD PRO 966 1HD PRO 966 3.586 0.476 -3.395 74 HA PRO 967 HA PRO 967 -1.021 0.420 -8.497 75 1HB PRO 967 1HB PRO 967 -2.793 -1.572 -8.482 76 2HB PRO 967 2HB PRO 967 -1.065 -1.897 -8.669 77 1HG PRO 967 2HG PRO 967 -2.802 -2.184 -6.253 78 2HG PRO 967 1HG PRO 967 -1.495 -3.236 -6.825 79 1HD PRO 967 1HD PRO 967 -1.257 -1.309 -4.831 80 2HD PRO 967 2HD PRO 967 0.091 -2.022 -5.735 81 H ASP 968 H ASP 968 -3.639 0.114 -9.036 82 HA ASP 968 HA ASP 968 -4.985 1.885 -7.119 83 1HB ASP 968 1HB ASP 968 -6.575 2.346 -8.976 84 2HB ASP 968 2HB ASP 968 -4.915 2.787 -9.363 85 HA PRO 969 HA PRO 969 -7.047 -1.905 -5.873 86 1HB PRO 969 1HB PRO 969 -8.585 -0.733 -3.936 87 2HB PRO 969 2HB PRO 969 -6.900 -1.206 -3.700 88 1HG PRO 969 2HG PRO 969 -8.043 1.486 -4.334 89 2HG PRO 969 1HG PRO 969 -6.756 1.057 -3.191 90 1HD PRO 969 1HD PRO 969 -6.217 2.094 -5.615 91 2HD PRO 969 2HD PRO 969 -5.163 0.879 -4.861 92 H VAL 970 H VAL 970 -9.301 -2.643 -5.673 93 HA VAL 970 HA VAL 970 -10.986 -1.457 -7.692 94 HB VAL 970 HB VAL 970 -10.866 -4.017 -6.259 95 1HG1 VAL 970 1HG1 VAL 970 -13.237 -4.556 -6.567 96 2HG1 VAL 970 2HG1 VAL 970 -13.553 -2.882 -7.025 97 3HG1 VAL 970 3HG1 VAL 970 -13.005 -3.263 -5.391 98 1HG2 VAL 970 1HG2 VAL 970 -11.694 -4.838 -8.430 99 2HG2 VAL 970 2HG2 VAL 970 -10.273 -3.806 -8.594 100 3HG2 VAL 970 3HG2 VAL 970 -11.874 -3.169 -8.971 101 H ASN 971 H ASN 971 -12.647 -0.131 -7.367 102 HA ASN 971 HA ASN 971 -14.113 1.260 -6.332 103 1HB ASN 971 1HB ASN 971 -14.263 -1.017 -4.345 104 2HB ASN 971 2HB ASN 971 -15.408 0.317 -4.449 105 1HD2 ASN 971 2HD2 ASN 971 -15.741 -2.599 -4.793 106 2HD2 ASN 971 1HD2 ASN 971 -16.478 -2.793 -6.343 107 H GLY 972 H GLY 972 -11.146 0.926 -5.355 108 1HA GLY 972 1HA GLY 972 -11.492 2.738 -3.051 109 2HA GLY 972 2HA GLY 972 -10.307 1.441 -3.018 110 H MET 973 H MET 973 -8.843 3.272 -2.556 111 HA MET 973 HA MET 973 -7.458 4.043 -4.938 112 1HB MET 973 1HB MET 973 -7.588 6.492 -4.525 113 2HB MET 973 2HB MET 973 -9.123 5.784 -5.008 114 1HG MET 973 2HG MET 973 -9.854 5.775 -2.680 115 2HG MET 973 1HG MET 973 -8.316 6.485 -2.196 116 1HE MET 973 1HE MET 973 -9.660 8.410 -0.925 117 2HE MET 973 2HE MET 973 -11.190 7.705 -1.446 118 3HE MET 973 3HE MET 973 -10.878 9.423 -1.701 119 H VAL 974 H VAL 974 -5.338 4.338 -4.531 120 HA VAL 974 HA VAL 974 -4.435 3.971 -1.804 121 HB VAL 974 HB VAL 974 -3.345 2.728 -3.614 122 1HG1 VAL 974 1HG1 VAL 974 -1.887 3.882 -5.214 123 2HG1 VAL 974 2HG1 VAL 974 -2.443 5.436 -4.588 124 3HG1 VAL 974 3HG1 VAL 974 -3.576 4.356 -5.403 125 1HG2 VAL 974 1HG2 VAL 974 -1.015 3.216 -3.012 126 2HG2 VAL 974 2HG2 VAL 974 -2.071 3.192 -1.600 127 3HG2 VAL 974 3HG2 VAL 974 -1.532 4.731 -2.274 128 H HIS 975 H HIS 975 -3.138 5.385 -0.633 129 HA HIS 975 HA HIS 975 -2.890 8.116 -1.705 130 1HB HIS 975 1HB HIS 975 -3.767 7.356 1.089 131 2HB HIS 975 2HB HIS 975 -3.435 8.997 0.545 132 HD1 HIS 975 1HD HIS 975 -5.248 10.189 -0.774 133 HD2 HIS 975 2HD HIS 975 -6.150 6.214 0.031 134 HE1 HIS 975 1HE HIS 975 -7.667 9.909 -1.399 135 HE2 HIS 975 2HE HIS 975 -8.213 7.516 -0.828 136 H VAL 976 H VAL 976 -1.067 9.256 -1.113 137 HA VAL 976 HA VAL 976 0.988 7.711 0.320 138 HB VAL 976 HB VAL 976 1.663 8.216 -1.945 139 1HG1 VAL 976 1HG1 VAL 976 1.902 10.514 -2.747 140 2HG1 VAL 976 2HG1 VAL 976 1.192 11.112 -1.248 141 3HG1 VAL 976 3HG1 VAL 976 0.224 10.139 -2.355 142 1HG2 VAL 976 1HG2 VAL 976 3.098 9.965 0.049 143 2HG2 VAL 976 2HG2 VAL 976 3.743 9.442 -1.507 144 3HG2 VAL 976 3HG2 VAL 976 3.401 8.254 -0.250 145 H ILE 977 H ILE 977 1.458 8.357 2.302 146 HA ILE 977 HA ILE 977 0.388 10.789 3.368 147 HB ILE 977 HB ILE 977 2.306 8.845 4.659 148 1HG1 ILE 977 2HG1 ILE 977 -0.693 8.948 4.991 149 2HG1 ILE 977 1HG1 ILE 977 0.090 7.908 3.804 150 1HG2 ILE 977 1HG2 ILE 977 2.232 10.998 5.785 151 2HG2 ILE 977 2HG2 ILE 977 1.443 9.762 6.764 152 3HG2 ILE 977 3HG2 ILE 977 0.472 10.920 5.855 153 1HD1 ILE 977 1HD1 ILE 977 1.285 6.761 5.579 154 2HD1 ILE 977 2HD1 ILE 977 -0.458 6.698 5.838 155 3HD1 ILE 977 3HD1 ILE 977 0.534 7.814 6.777 156 H THR 978 H THR 978 3.563 9.669 2.356 157 HA THR 978 HA THR 978 4.548 12.419 2.592 158 HB THR 978 HB THR 978 6.745 11.577 3.414 159 HG1 THR 978 1HG THR 978 5.387 9.188 4.116 160 1HG2 THR 978 1HG2 THR 978 5.134 12.559 4.971 161 2HG2 THR 978 2HG2 THR 978 6.042 11.259 5.742 162 3HG2 THR 978 3HG2 THR 978 4.385 10.979 5.205 163 H ASP 979 H ASP 979 5.869 9.234 1.663 164 HA ASP 979 HA ASP 979 6.198 10.122 -1.081 165 1HB ASP 979 2HB ASP 979 8.562 9.401 0.666 166 2HB ASP 979 1HB ASP 979 8.630 9.597 -1.083 167 H ILE 980 H ILE 980 7.804 8.207 -2.075 168 HA ILE 980 HA ILE 980 6.502 5.680 -1.292 169 HB ILE 980 HB ILE 980 7.435 6.450 -4.062 170 1HG1 ILE 980 2HG1 ILE 980 5.450 7.740 -3.279 171 2HG1 ILE 980 1HG1 ILE 980 5.100 6.691 -4.650 172 1HG2 ILE 980 1HG2 ILE 980 5.887 4.053 -3.084 173 2HG2 ILE 980 2HG2 ILE 980 7.554 4.057 -3.659 174 3HG2 ILE 980 3HG2 ILE 980 6.238 4.427 -4.772 175 1HD1 ILE 980 1HD1 ILE 980 4.438 6.120 -1.772 176 2HD1 ILE 980 2HD1 ILE 980 4.099 5.055 -3.136 177 3HD1 ILE 980 3HD1 ILE 980 3.307 6.628 -3.025 178 H GLN 981 H GLN 981 9.370 7.353 -1.418 179 HA GLN 981 HA GLN 981 11.194 5.340 -2.215 180 1HB GLN 981 1HB GLN 981 12.904 6.757 -1.146 181 2HB GLN 981 2HB GLN 981 11.838 7.684 -2.193 182 1HG GLN 981 2HG GLN 981 10.580 8.435 -0.228 183 2HG GLN 981 1HG GLN 981 11.682 7.531 0.810 184 1HE2 GLN 981 1HE2 GLN 981 12.709 9.231 -2.058 185 2HE2 GLN 981 2HE2 GLN 981 13.601 10.467 -1.245 186 H VAL 982 H VAL 982 13.062 5.003 -0.326 187 HA VAL 982 HA VAL 982 11.911 3.028 1.360 188 HB VAL 982 HB VAL 982 14.166 2.737 0.534 189 1HG1 VAL 982 1HG2 VAL 982 14.871 5.170 2.171 190 2HG1 VAL 982 2HG2 VAL 982 14.841 5.068 0.409 191 3HG1 VAL 982 3HG2 VAL 982 16.020 4.132 1.327 192 1HG2 VAL 982 1HG1 VAL 982 15.308 2.153 2.620 193 2HG2 VAL 982 2HG1 VAL 982 13.611 1.672 2.652 194 3HG2 VAL 982 3HG1 VAL 982 14.136 3.110 3.527 195 H GLY 983 H GLY 983 11.268 3.113 3.433 196 1HA GLY 983 2HA GLY 983 11.244 3.874 5.652 197 2HA GLY 983 1HA GLY 983 12.139 5.300 5.149 198 H SER 984 H SER 984 9.556 4.733 3.078 199 HA SER 984 HA SER 984 8.031 6.880 4.357 200 1HB SER 984 1HB SER 984 6.939 7.173 2.203 201 2HB SER 984 2HB SER 984 8.688 7.141 1.974 202 HG SER 984 HG SER 984 7.138 5.764 0.598 203 H ARG 985 H ARG 985 5.828 6.709 4.794 204 HA ARG 985 HA ARG 985 4.747 3.968 4.761 205 1HB ARG 985 2HB ARG 985 5.345 4.677 7.036 206 2HB ARG 985 1HB ARG 985 4.326 6.099 6.865 207 1HG ARG 985 2HG ARG 985 2.362 4.648 6.629 208 2HG ARG 985 1HG ARG 985 3.397 3.235 6.854 209 1HD ARG 985 2HD ARG 985 2.297 3.810 8.938 210 2HD ARG 985 1HD ARG 985 4.037 4.070 9.069 211 HE ARG 985 HE ARG 985 2.821 6.475 8.298 212 1HH1 ARG 985 1HH1 ARG 985 3.009 4.341 11.046 213 2HH1 ARG 985 2HH1 ARG 985 2.751 5.602 12.206 214 1HH2 ARG 985 1HH2 ARG 985 2.483 8.141 9.817 215 2HH2 ARG 985 2HH2 ARG 985 2.451 7.761 11.507 216 H ILE 986 H ILE 986 2.823 3.699 3.813 217 HA ILE 986 HA ILE 986 1.124 6.068 3.390 218 HB ILE 986 HB ILE 986 0.471 5.242 1.200 219 1HG1 ILE 986 1HG1 ILE 986 2.539 3.072 1.629 220 2HG1 ILE 986 2HG1 ILE 986 0.794 2.831 1.655 221 1HG2 ILE 986 1HG2 ILE 986 2.576 5.635 0.001 222 2HG2 ILE 986 2HG2 ILE 986 3.464 5.432 1.511 223 3HG2 ILE 986 3HG2 ILE 986 2.345 6.782 1.321 224 1HD1 ILE 986 1HD1 ILE 986 1.751 2.130 -0.460 225 2HD1 ILE 986 2HD1 ILE 986 2.409 3.748 -0.711 226 3HD1 ILE 986 3HD1 ILE 986 0.663 3.501 -0.683 227 H THR 987 H THR 987 -1.164 5.379 2.752 228 HA THR 987 HA THR 987 -1.956 2.905 4.122 229 HB THR 987 HB THR 987 -3.858 4.072 5.180 230 HG1 THR 987 1HG THR 987 -2.746 6.231 3.789 231 1HG2 THR 987 1HG2 THR 987 -2.582 5.236 6.921 232 2HG2 THR 987 2HG2 THR 987 -1.164 5.253 5.871 233 3HG2 THR 987 3HG2 THR 987 -1.806 3.721 6.464 234 H TYR 988 H TYR 988 -3.410 1.740 3.031 235 HA TYR 988 HA TYR 988 -4.490 2.808 0.556 236 1HB TYR 988 2HB TYR 988 -4.660 0.038 1.761 237 2HB TYR 988 1HB TYR 988 -5.248 0.484 0.162 238 HD1 TYR 988 1HD TYR 988 -2.257 -0.086 2.214 239 HD2 TYR 988 2HD TYR 988 -3.722 0.831 -1.673 240 HE1 TYR 988 1HE TYR 988 -0.037 -0.566 1.271 241 HE2 TYR 988 2HE TYR 988 -1.506 0.352 -2.627 242 HH TYR 988 HH TYR 988 0.948 -1.213 -0.883 243 H SER 989 H SER 989 -6.596 3.247 0.149 244 HA SER 989 HA SER 989 -8.496 2.862 2.368 245 1HB SER 989 2HB SER 989 -8.372 5.176 0.418 246 2HB SER 989 1HB SER 989 -9.593 4.959 1.673 247 HG SER 989 HG SER 989 -8.175 6.171 2.712 248 H CYS 990 H CYS 990 -10.830 3.008 1.584 249 HA CYS 990 HA CYS 990 -11.280 2.103 -1.130 250 1HB CYS 990 2HB CYS 990 -10.666 0.047 0.194 251 2HB CYS 990 1HB CYS 990 -12.104 0.325 1.172 252 H THR 991 H THR 991 -13.621 1.843 -1.590 253 HA THR 991 HA THR 991 -15.059 4.081 -0.706 254 HB THR 991 HB THR 991 -15.558 3.115 -2.856 255 HG1 THR 991 1HG THR 991 -17.330 3.936 -1.247 256 1HG2 THR 991 1HG2 THR 991 -16.700 0.942 -3.064 257 2HG2 THR 991 2HG2 THR 991 -16.504 0.687 -1.329 258 3HG2 THR 991 3HG2 THR 991 -15.086 0.777 -2.374 259 H THR 992 H THR 992 -16.969 4.246 0.542 260 HA THR 992 HA THR 992 -16.908 2.907 3.000 261 HB THR 992 HB THR 992 -19.242 4.390 1.771 262 HG1 THR 992 1HG THR 992 -18.210 5.996 3.401 263 1HG2 THR 992 1HG2 THR 992 -18.603 3.753 4.654 264 2HG2 THR 992 2HG2 THR 992 -19.892 3.027 3.696 265 3HG2 THR 992 3HG2 THR 992 -19.949 4.744 4.093 266 H GLY 993 H GLY 993 -17.988 1.178 3.825 267 1HA GLY 993 2HA GLY 993 -19.615 -0.536 3.850 268 2HA GLY 993 1HA GLY 993 -19.974 -0.189 2.165 269 H HIS 994 H HIS 994 -16.666 -0.282 2.660 270 HA HIS 994 HA HIS 994 -16.488 -3.151 2.064 271 1HB HIS 994 1HB HIS 994 -15.086 -0.950 0.530 272 2HB HIS 994 2HB HIS 994 -14.800 -2.674 0.317 273 HD1 HIS 994 1HD HIS 994 -17.743 -0.269 0.087 274 HD2 HIS 994 2HD HIS 994 -16.300 -3.756 -1.652 275 HE1 HIS 994 1HE HIS 994 -19.348 -0.807 -1.773 276 HE2 HIS 994 2HE HIS 994 -18.500 -2.966 -2.758 277 H ARG 995 H ARG 995 -15.259 -4.034 3.588 278 HA ARG 995 HA ARG 995 -13.291 -2.408 4.988 279 1HB ARG 995 1HB ARG 995 -14.681 -4.980 5.517 280 2HB ARG 995 2HB ARG 995 -13.083 -4.775 6.219 281 1HG ARG 995 2HG ARG 995 -14.827 -4.126 7.783 282 2HG ARG 995 1HG ARG 995 -13.821 -2.744 7.343 283 1HD ARG 995 1HD ARG 995 -15.526 -2.023 5.737 284 2HD ARG 995 2HD ARG 995 -16.533 -3.396 6.195 285 HE ARG 995 HE ARG 995 -15.922 -1.935 8.502 286 1HH1 ARG 995 1HH1 ARG 995 -17.757 -1.611 5.557 287 2HH1 ARG 995 2HH1 ARG 995 -18.923 -0.535 6.251 288 1HH2 ARG 995 1HH2 ARG 995 -17.454 -0.520 9.423 289 2HH2 ARG 995 2HH2 ARG 995 -18.751 0.086 8.448 290 H LEU 996 H LEU 996 -11.126 -2.676 4.910 291 HA LEU 996 HA LEU 996 -10.057 -4.036 2.630 292 1HB LEU 996 1HB LEU 996 -9.224 -1.846 3.536 293 2HB LEU 996 2HB LEU 996 -8.556 -2.727 4.889 294 HG LEU 996 HG LEU 996 -7.756 -3.547 2.155 295 1HD1 LEU 996 1HD1 LEU 996 -6.636 -1.159 3.609 296 2HD1 LEU 996 2HD1 LEU 996 -7.539 -1.123 2.096 297 3HD1 LEU 996 3HD1 LEU 996 -5.953 -1.892 2.157 298 1HD2 LEU 996 1HD2 LEU 996 -5.655 -4.051 3.298 299 2HD2 LEU 996 2HD2 LEU 996 -7.022 -4.850 4.074 300 3HD2 LEU 996 3HD2 LEU 996 -6.319 -3.404 4.798 301 H ILE 997 H ILE 997 -9.286 -6.038 2.517 302 HA ILE 997 HA ILE 997 -9.097 -7.640 4.932 303 HB ILE 997 HB ILE 997 -8.617 -8.472 2.068 304 1HG1 ILE 997 2HG1 ILE 997 -10.900 -7.591 2.448 305 2HG1 ILE 997 1HG1 ILE 997 -10.900 -9.314 2.082 306 1HG2 ILE 997 1HG2 ILE 997 -9.128 -10.101 4.554 307 2HG2 ILE 997 2HG2 ILE 997 -7.599 -9.975 3.685 308 3HG2 ILE 997 3HG2 ILE 997 -8.988 -10.743 2.917 309 1HD1 ILE 997 1HD1 ILE 997 -11.182 -8.087 4.815 310 2HD1 ILE 997 2HD1 ILE 997 -11.174 -9.813 4.456 311 3HD1 ILE 997 3HD1 ILE 997 -12.476 -8.792 3.847 312 H GLY 998 H GLY 998 -7.265 -6.493 5.819 313 1HA GLY 998 2HA GLY 998 -4.825 -7.784 5.505 314 2HA GLY 998 1HA GLY 998 -4.764 -6.353 4.486 315 H HIS 999 H HIS 999 -3.965 -4.588 5.401 316 HA HIS 999 HA HIS 999 -4.380 -4.134 8.260 317 1HB HIS 999 2HB HIS 999 -2.160 -5.289 7.866 318 2HB HIS 999 1HB HIS 999 -1.656 -3.849 6.987 319 HD1 HIS 999 1HD HIS 999 0.147 -3.147 8.640 320 HD2 HIS 999 2HD HIS 999 -3.602 -3.586 10.374 321 HE1 HIS 999 1HE HIS 999 0.360 -2.180 10.952 322 HE2 HIS 999 2HE HIS 999 -1.943 -2.384 11.955 323 H SER1000 H SER1000 -4.617 -3.023 5.207 324 HA SER1000 HA SER1000 -4.810 -0.992 4.196 325 1HB SER1000 1HB SER1000 -6.045 0.690 5.471 326 2HB SER1000 2HB SER1000 -6.710 -0.915 5.769 327 HG SER1000 HG SER1000 -5.113 0.679 7.460 328 H SER1001 H SER1001 -2.194 -1.610 5.428 329 HA SER1001 HA SER1001 -1.013 0.976 5.076 330 1HB SER1001 2HB SER1001 -1.694 1.188 7.423 331 2HB SER1001 1HB SER1001 -0.849 -0.309 7.814 332 HG SER1001 HG SER1001 0.417 1.526 8.301 333 H ALA1002 H ALA1002 1.372 0.884 5.193 334 HA ALA1002 HA ALA1002 2.689 -1.649 5.350 335 1HB ALA1002 1HB ALA1002 1.600 -1.916 3.175 336 2HB ALA1002 2HB ALA1002 3.354 -1.837 3.012 337 3HB ALA1002 3HB ALA1002 2.367 -0.433 2.608 338 H GLU1003 H GLU1003 5.017 -1.421 4.454 339 HA GLU1003 HA GLU1003 6.018 1.315 4.585 340 1HB GLU1003 1HB GLU1003 6.020 0.532 6.917 341 2HB GLU1003 2HB GLU1003 6.981 -0.863 6.448 342 1HG GLU1003 2HG GLU1003 8.801 0.628 5.771 343 2HG GLU1003 1HG GLU1003 7.837 2.017 6.270 344 H CYS1004 H CYS1004 7.782 1.642 3.331 345 HA CYS1004 HA CYS1004 8.558 -0.359 1.488 346 1HB CYS1004 1HB CYS1004 9.399 2.441 2.088 347 2HB CYS1004 2HB CYS1004 10.442 1.451 1.079 348 H ILE1005 H ILE1005 9.337 -2.107 2.710 349 HA ILE1005 HA ILE1005 11.857 -1.678 4.147 350 HB ILE1005 HB ILE1005 11.592 -4.051 4.871 351 1HG1 ILE1005 2HG1 ILE1005 8.857 -3.791 3.600 352 2HG1 ILE1005 1HG1 ILE1005 10.173 -4.773 2.965 353 1HG2 ILE1005 1HG2 ILE1005 9.780 -3.594 6.464 354 2HG2 ILE1005 2HG2 ILE1005 9.306 -2.191 5.506 355 3HG2 ILE1005 3HG2 ILE1005 10.881 -2.225 6.301 356 1HD1 ILE1005 1HD1 ILE1005 8.553 -6.124 4.165 357 2HD1 ILE1005 2HD1 ILE1005 8.811 -5.161 5.619 358 3HD1 ILE1005 3HD1 ILE1005 10.121 -6.150 4.972 359 H LEU1006 H LEU1006 13.757 -2.223 3.297 360 HA LEU1006 HA LEU1006 13.847 -3.475 0.682 361 1HB LEU1006 1HB LEU1006 15.878 -2.156 2.453 362 2HB LEU1006 2HB LEU1006 16.382 -3.103 1.067 363 HG LEU1006 HG LEU1006 14.456 -0.801 0.820 364 1HD1 LEU1006 1HD2 LEU1006 16.368 0.568 0.130 365 2HD1 LEU1006 2HD2 LEU1006 17.460 -0.745 0.570 366 3HD1 LEU1006 3HD2 LEU1006 16.500 0.058 1.813 367 1HD2 LEU1006 1HD1 LEU1006 15.196 -0.832 -1.511 368 2HD2 LEU1006 2HD1 LEU1006 14.489 -2.376 -1.032 369 3HD2 LEU1006 3HD1 LEU1006 16.241 -2.208 -1.159 370 H SER1007 H SER1007 13.957 -5.597 0.450 371 HA SER1007 HA SER1007 15.669 -7.150 2.233 372 1HB SER1007 2HB SER1007 12.784 -7.880 1.667 373 2HB SER1007 1HB SER1007 13.942 -8.886 2.536 374 HG SER1007 HG SER1007 12.987 -6.330 3.313 375 H GLY1008 H GLY1008 17.097 -7.452 0.532 376 1HA GLY1008 1HA GLY1008 17.782 -9.165 -1.017 377 2HA GLY1008 2HA GLY1008 16.121 -9.257 -1.583 378 H ASN1009 H ASN1009 18.058 -6.351 -1.047 379 HA ASN1009 HA ASN1009 18.637 -4.634 -2.418 380 1HB ASN1009 1HB ASN1009 18.828 -6.848 -4.474 381 2HB ASN1009 2HB ASN1009 19.495 -5.228 -4.659 382 1HD2 ASN1009 1HD2 ASN1009 21.295 -4.626 -3.461 383 2HD2 ASN1009 2HD2 ASN1009 22.304 -5.789 -2.677 384 H THR1010 H THR1010 15.787 -5.516 -2.211 385 HA THR1010 HA THR1010 14.805 -3.890 -4.433 386 HB THR1010 HB THR1010 14.484 -6.155 -5.227 387 HG1 THR1010 1HG THR1010 12.686 -4.404 -5.198 388 1HG2 THR1010 1HG2 THR1010 14.510 -7.331 -3.087 389 2HG2 THR1010 2HG2 THR1010 13.070 -7.752 -4.013 390 3HG2 THR1010 3HG2 THR1010 12.952 -6.620 -2.666 391 H ALA1011 H ALA1011 13.323 -2.444 -3.808 392 HA ALA1011 HA ALA1011 12.427 -2.451 -1.053 393 1HB ALA1011 1HB ALA1011 11.926 -0.444 -3.247 394 2HB ALA1011 2HB ALA1011 13.237 -0.376 -2.069 395 3HB ALA1011 3HB ALA1011 11.562 -0.227 -1.536 396 H HIS1012 H HIS1012 10.670 -3.540 -0.496 397 HA HIS1012 HA HIS1012 8.275 -3.306 -2.162 398 1HB HIS1012 2HB HIS1012 7.773 -5.705 -1.880 399 2HB HIS1012 1HB HIS1012 9.261 -5.451 -2.786 400 HD1 HIS1012 1HD HIS1012 7.935 -6.959 0.321 401 HD2 HIS1012 2HD HIS1012 11.638 -6.149 -1.381 402 HE1 HIS1012 1HE HIS1012 9.594 -8.300 1.653 403 HE2 HIS1012 2HE HIS1012 11.813 -7.875 0.538 404 H TRP1013 H TRP1013 6.363 -3.261 -1.031 405 HA TRP1013 HA TRP1013 6.535 -2.469 1.691 406 1HB TRP1013 2HB TRP1013 4.066 -3.174 0.090 407 2HB TRP1013 1HB TRP1013 4.113 -2.241 1.583 408 HD1 TRP1013 HD TRP1013 4.865 -1.952 -2.153 409 HE1 TRP1013 1HE TRP1013 5.116 0.536 -2.752 410 HE3 TRP1013 3HE TRP1013 4.767 0.032 2.556 411 HZ2 TRP1013 2HZ TRP1013 5.249 3.015 -1.410 412 HZ3 TRP1013 3HZ TRP1013 4.960 2.472 2.812 413 HH2 TRP1013 HH TRP1013 5.198 3.931 0.869 414 H SER1014 H SER1014 5.706 -3.478 3.543 415 HA SER1014 HA SER1014 6.271 -6.215 3.750 416 1HB SER1014 1HB SER1014 5.305 -6.037 6.029 417 2HB SER1014 2HB SER1014 6.432 -4.728 5.674 418 HG SER1014 HG SER1014 4.779 -3.325 5.510 419 H THR1015 H THR1015 3.098 -4.620 4.118 420 HA THR1015 HA THR1015 1.674 -7.065 4.184 421 HB THR1015 HB THR1015 -0.355 -5.685 3.998 422 HG1 THR1015 1HG THR1015 1.459 -3.879 2.992 423 1HG2 THR1015 1HG2 THR1015 1.730 -4.516 5.845 424 2HG2 THR1015 2HG2 THR1015 0.720 -5.921 6.181 425 3HG2 THR1015 3HG2 THR1015 -0.016 -4.328 6.013 426 H LYS1016 H LYS1016 0.537 -8.151 2.645 427 HA LYS1016 HA LYS1016 1.258 -7.911 -0.073 428 1HB LYS1016 2HB LYS1016 -0.290 -9.673 -0.493 429 2HB LYS1016 1HB LYS1016 0.424 -9.996 1.080 430 1HG LYS1016 1HG LYS1016 -2.245 -8.660 0.703 431 2HG LYS1016 2HG LYS1016 -2.033 -10.397 0.933 432 1HD LYS1016 2HD LYS1016 -0.943 -9.962 3.092 433 2HD LYS1016 1HD LYS1016 -1.201 -8.231 2.863 434 1HE LYS1016 2HE LYS1016 -2.904 -9.176 4.324 435 2HE LYS1016 1HE LYS1016 -3.617 -8.593 2.821 436 1HZ LYS1016 1HZ LYS1016 -3.643 -10.868 1.998 437 2HZ LYS1016 2HZ LYS1016 -4.516 -10.741 3.441 438 3HZ LYS1016 3HZ LYS1016 -2.969 -11.423 3.449 439 HA PRO1017 HA PRO1017 -1.367 -4.895 -1.907 440 1HB PRO1017 2HB PRO1017 -2.655 -6.423 -3.866 441 2HB PRO1017 1HB PRO1017 -1.114 -5.583 -4.051 442 1HG PRO1017 1HG PRO1017 -1.650 -8.451 -3.436 443 2HG PRO1017 2HG PRO1017 -0.368 -7.734 -4.429 444 1HD PRO1017 1HD PRO1017 0.138 -8.651 -1.970 445 2HD PRO1017 2HD PRO1017 0.924 -7.178 -2.578 446 HA PRO1018 HA PRO1018 -4.932 -5.871 0.707 447 1HB PRO1018 1HB PRO1018 -5.559 -3.045 0.052 448 2HB PRO1018 2HB PRO1018 -5.460 -3.841 1.626 449 1HG PRO1018 2HG PRO1018 -3.540 -2.182 0.816 450 2HG PRO1018 1HG PRO1018 -3.150 -3.658 1.720 451 1HD PRO1018 2HD PRO1018 -2.904 -3.106 -1.211 452 2HD PRO1018 1HD PRO1018 -1.813 -4.007 -0.138 453 H ILE1019 H ILE1019 -7.213 -5.959 0.430 454 HA ILE1019 HA ILE1019 -8.197 -5.384 -2.284 455 HB ILE1019 HB ILE1019 -9.063 -7.835 -0.766 456 1HG1 ILE1019 2HG1 ILE1019 -6.926 -7.707 -2.907 457 2HG1 ILE1019 1HG1 ILE1019 -6.610 -7.938 -1.190 458 1HG2 ILE1019 1HG2 ILE1019 -10.555 -7.049 -2.517 459 2HG2 ILE1019 2HG2 ILE1019 -9.804 -8.575 -2.983 460 3HG2 ILE1019 3HG2 ILE1019 -9.226 -7.060 -3.676 461 1HD1 ILE1019 1HD1 ILE1019 -7.853 -10.033 -1.242 462 2HD1 ILE1019 2HD1 ILE1019 -6.519 -10.040 -2.394 463 3HD1 ILE1019 3HD1 ILE1019 -8.172 -9.802 -2.961 464 H CYS1020 H CYS1020 -10.607 -5.329 -2.376 465 HA CYS1020 HA CYS1020 -11.671 -4.144 0.096 466 1HB CYS1020 1HB CYS1020 -12.401 -3.731 -2.804 467 2HB CYS1020 2HB CYS1020 -13.394 -3.135 -1.478 468 H GLN1021 H GLN1021 -13.080 -5.296 1.212 469 HA GLN1021 HA GLN1021 -14.647 -7.358 -0.190 470 1HB GLN1021 2HB GLN1021 -13.091 -8.276 1.464 471 2HB GLN1021 1HB GLN1021 -13.793 -7.251 2.708 472 1HG GLN1021 2HG GLN1021 -14.616 -9.516 2.902 473 2HG GLN1021 1HG GLN1021 -15.925 -8.417 2.470 474 1HE2 GLN1021 1HE2 GLN1021 -17.182 -10.061 1.619 475 2HE2 GLN1021 2HE2 GLN1021 -16.810 -10.829 0.117 476 H ARG1022 H ARG1022 -16.575 -6.478 -0.635 477 HA ARG1022 HA ARG1022 -17.888 -4.469 0.768 478 1HB ARG1022 2HB ARG1022 -18.495 -5.166 -1.512 479 2HB ARG1022 1HB ARG1022 -19.114 -6.687 -0.883 480 1HG ARG1022 2HG ARG1022 -20.816 -5.476 0.382 481 2HG ARG1022 1HG ARG1022 -20.195 -3.949 -0.247 482 1HD ARG1022 1HD ARG1022 -20.723 -4.670 -2.522 483 2HD ARG1022 2HD ARG1022 -21.334 -6.202 -1.898 484 HE ARG1022 HE ARG1022 -22.713 -4.135 -0.625 485 1HH1 ARG1022 1HH1 ARG1022 -22.368 -5.504 -3.810 486 2HH1 ARG1022 2HH1 ARG1022 -23.963 -5.056 -4.315 487 1HH2 ARG1022 1HH2 ARG1022 -24.814 -3.543 -1.281 488 2HH2 ARG1022 2HH2 ARG1022 -25.354 -3.943 -2.878 489 H ILE1023 H ILE1023 -19.527 -4.460 2.304 490 HA ILE1023 HA ILE1023 -19.507 -6.824 4.042 491 HB ILE1023 HB ILE1023 -20.439 -4.050 4.767 492 1HG1 ILE1023 1HG1 ILE1023 -18.101 -3.927 4.072 493 2HG1 ILE1023 2HG1 ILE1023 -18.227 -3.739 5.817 494 1HG2 ILE1023 1HG2 ILE1023 -19.595 -6.403 6.450 495 2HG2 ILE1023 2HG2 ILE1023 -21.245 -5.830 6.216 496 3HG2 ILE1023 3HG2 ILE1023 -20.073 -4.820 7.061 497 1HD1 ILE1023 1HD1 ILE1023 -16.343 -5.141 5.217 498 2HD1 ILE1023 2HD1 ILE1023 -17.423 -6.250 4.371 499 3HD1 ILE1023 3HD1 ILE1023 -17.548 -6.060 6.119 500 HA PRO1024 HA PRO1024 -23.682 -7.806 2.805 501 1HB PRO1024 2HB PRO1024 -23.736 -9.053 5.506 502 2HB PRO1024 1HB PRO1024 -24.139 -9.753 3.935 503 1HG PRO1024 2HG PRO1024 -21.855 -10.375 5.155 504 2HG PRO1024 1HG PRO1024 -21.915 -10.150 3.397 505 1HD PRO1024 1HD PRO1024 -20.876 -8.311 5.512 506 2HD PRO1024 2HD PRO1024 -20.248 -8.626 3.882 Start of MODEL 10 1 1H GLU 957 1HT GLU 957 24.166 10.964 -2.797 2 2H GLU 957 2HT GLU 957 24.331 10.866 -4.478 3 3H GLU 957 3HT GLU 957 23.168 9.927 -3.687 4 HA GLU 957 HA GLU 957 23.186 12.884 -3.837 5 1HB GLU 957 2HB GLU 957 22.663 11.671 -5.975 6 2HB GLU 957 1HB GLU 957 21.300 10.922 -5.156 7 1HG GLU 957 1HG GLU 957 20.312 13.121 -4.779 8 2HG GLU 957 2HG GLU 957 21.680 13.875 -5.596 9 H ALA 958 H ALA 958 22.522 10.310 -1.924 10 HA ALA 958 HA ALA 958 21.224 9.969 -0.088 11 1HB ALA 958 1HB ALA 958 20.666 12.925 -0.318 12 2HB ALA 958 2HB ALA 958 22.027 12.197 0.535 13 3HB ALA 958 3HB ALA 958 20.381 11.919 1.102 14 H GLU 959 H GLU 959 18.822 10.784 0.779 15 HA GLU 959 HA GLU 959 16.600 10.386 0.514 16 1HB GLU 959 1HB GLU 959 17.117 11.596 -2.208 17 2HB GLU 959 2HB GLU 959 15.529 11.360 -1.490 18 1HG GLU 959 1HG GLU 959 17.711 13.124 -0.400 19 2HG GLU 959 2HG GLU 959 16.281 13.665 -1.277 20 H ALA 960 H ALA 960 16.861 8.114 0.606 21 HA ALA 960 HA ALA 960 17.286 6.559 -1.759 22 1HB ALA 960 1HB ALA 960 16.870 4.633 -0.331 23 2HB ALA 960 2HB ALA 960 16.280 5.692 0.950 24 3HB ALA 960 3HB ALA 960 17.971 5.764 0.455 25 H LYS 961 H LYS 961 15.672 7.212 -3.213 26 HA LYS 961 HA LYS 961 12.945 6.346 -2.510 27 1HB LYS 961 2HB LYS 961 13.067 8.739 -2.978 28 2HB LYS 961 1HB LYS 961 13.830 8.414 -4.529 29 1HG LYS 961 1HG LYS 961 11.794 7.260 -5.273 30 2HG LYS 961 2HG LYS 961 11.030 7.644 -3.728 31 1HD LYS 961 1HD LYS 961 11.270 10.026 -4.190 32 2HD LYS 961 2HD LYS 961 12.064 9.657 -5.722 33 1HE LYS 961 1HE LYS 961 9.238 8.923 -4.968 34 2HE LYS 961 2HE LYS 961 9.711 10.229 -6.053 35 1HZ LYS 961 1HZ LYS 961 10.681 8.589 -7.541 36 2HZ LYS 961 2HZ LYS 961 9.042 8.266 -7.282 37 3HZ LYS 961 3HZ LYS 961 10.219 7.337 -6.501 38 H SER 962 H SER 962 12.357 4.505 -3.427 39 HA SER 962 HA SER 962 12.537 3.941 -6.167 40 1HB SER 962 2HB SER 962 14.219 2.133 -6.155 41 2HB SER 962 1HB SER 962 14.939 3.692 -5.755 42 HG SER 962 HG SER 962 14.860 1.432 -4.293 43 H CYS 963 H CYS 963 10.727 3.750 -3.874 44 HA CYS 963 HA CYS 963 10.356 0.946 -3.339 45 1HB CYS 963 2HB CYS 963 8.529 3.286 -2.759 46 2HB CYS 963 1HB CYS 963 8.368 1.662 -2.099 47 H LYS 964 H LYS 964 9.228 -0.458 -4.504 48 HA LYS 964 HA LYS 964 8.139 0.240 -7.015 49 1HB LYS 964 1HB LYS 964 9.074 -1.979 -6.543 50 2HB LYS 964 2HB LYS 964 7.773 -2.291 -5.401 51 1HG LYS 964 1HG LYS 964 6.146 -2.133 -7.234 52 2HG LYS 964 2HG LYS 964 7.473 -1.874 -8.369 53 1HD LYS 964 2HD LYS 964 6.822 -4.189 -8.449 54 2HD LYS 964 1HD LYS 964 8.413 -4.070 -7.694 55 1HE LYS 964 1HE LYS 964 7.380 -4.251 -5.486 56 2HE LYS 964 2HE LYS 964 5.788 -4.360 -6.235 57 1HZ LYS 964 1HZ LYS 964 6.497 -6.405 -7.329 58 2HZ LYS 964 2HZ LYS 964 6.611 -6.541 -5.647 59 3HZ LYS 964 3HZ LYS 964 8.007 -6.305 -6.572 60 H THR 965 H THR 965 6.506 1.733 -6.855 61 HA THR 965 HA THR 965 4.442 1.712 -4.965 62 HB THR 965 HB THR 965 3.282 3.301 -6.395 63 HG1 THR 965 1HG THR 965 3.612 2.356 -8.425 64 1HG2 THR 965 1HG2 THR 965 5.201 4.119 -5.116 65 2HG2 THR 965 2HG2 THR 965 5.053 4.979 -6.649 66 3HG2 THR 965 3HG2 THR 965 6.273 3.720 -6.458 67 HA PRO 966 HA PRO 966 2.013 -1.637 -6.563 68 1HB PRO 966 2HB PRO 966 -0.019 -1.519 -4.821 69 2HB PRO 966 1HB PRO 966 1.601 -2.018 -4.315 70 1HG PRO 966 2HG PRO 966 0.253 0.640 -4.009 71 2HG PRO 966 1HG PRO 966 1.230 -0.260 -2.835 72 1HD PRO 966 1HD PRO 966 2.193 1.805 -4.358 73 2HD PRO 966 2HD PRO 966 3.203 0.495 -3.717 74 HA PRO 967 HA PRO 967 -1.027 0.341 -9.223 75 1HB PRO 967 2HB PRO 967 -2.260 -1.924 -10.080 76 2HB PRO 967 1HB PRO 967 -0.698 -1.384 -10.705 77 1HG PRO 967 2HG PRO 967 -1.297 -3.456 -8.626 78 2HG PRO 967 1HG PRO 967 -0.129 -3.515 -9.959 79 1HD PRO 967 1HD PRO 967 0.601 -2.960 -7.414 80 2HD PRO 967 2HD PRO 967 1.428 -2.252 -8.817 81 H ASP 968 H ASP 968 -3.191 0.878 -9.106 82 HA ASP 968 HA ASP 968 -4.378 0.915 -6.622 83 1HB ASP 968 2HB ASP 968 -5.747 1.116 -9.314 84 2HB ASP 968 1HB ASP 968 -6.443 1.627 -7.779 85 HA PRO 969 HA PRO 969 -5.674 -3.414 -6.525 86 1HB PRO 969 2HB PRO 969 -6.362 -2.811 -3.741 87 2HB PRO 969 1HB PRO 969 -5.190 -3.967 -4.376 88 1HG PRO 969 2HG PRO 969 -4.438 -1.718 -3.093 89 2HG PRO 969 1HG PRO 969 -3.485 -2.418 -4.412 90 1HD PRO 969 2HD PRO 969 -5.381 -0.098 -4.469 91 2HD PRO 969 1HD PRO 969 -3.792 -0.272 -5.245 92 H VAL 970 H VAL 970 -7.560 -3.545 -7.628 93 HA VAL 970 HA VAL 970 -9.762 -3.310 -8.185 94 HB VAL 970 HB VAL 970 -9.557 -5.045 -6.297 95 1HG1 VAL 970 1HG1 VAL 970 -9.410 -3.484 -4.444 96 2HG1 VAL 970 2HG1 VAL 970 -10.808 -4.545 -4.265 97 3HG1 VAL 970 3HG1 VAL 970 -11.028 -2.881 -4.806 98 1HG2 VAL 970 1HG2 VAL 970 -11.970 -5.421 -6.279 99 2HG2 VAL 970 2HG2 VAL 970 -11.394 -4.991 -7.889 100 3HG2 VAL 970 3HG2 VAL 970 -12.231 -3.792 -6.902 101 H ASN 971 H ASN 971 -11.999 -2.488 -6.708 102 HA ASN 971 HA ASN 971 -12.169 0.183 -7.253 103 1HB ASN 971 1HB ASN 971 -13.626 -1.178 -4.979 104 2HB ASN 971 2HB ASN 971 -14.148 0.253 -5.862 105 1HD2 ASN 971 1HD2 ASN 971 -13.868 -3.185 -5.886 106 2HD2 ASN 971 2HD2 ASN 971 -14.801 -3.464 -7.314 107 H GLY 972 H GLY 972 -10.912 -1.335 -4.351 108 1HA GLY 972 1HA GLY 972 -10.832 0.916 -2.674 109 2HA GLY 972 2HA GLY 972 -9.773 -0.481 -2.551 110 H MET 973 H MET 973 -9.752 2.750 -2.835 111 HA MET 973 HA MET 973 -7.530 2.944 -4.711 112 1HB MET 973 1HB MET 973 -7.740 5.381 -4.349 113 2HB MET 973 2HB MET 973 -9.247 4.643 -4.878 114 1HG MET 973 2HG MET 973 -10.053 4.648 -2.566 115 2HG MET 973 1HG MET 973 -8.550 5.411 -2.053 116 1HE MET 973 1HE MET 973 -8.753 8.882 -3.865 117 2HE MET 973 2HE MET 973 -7.996 7.409 -4.472 118 3HE MET 973 3HE MET 973 -7.809 7.862 -2.778 119 H VAL 974 H VAL 974 -5.450 3.292 -4.159 120 HA VAL 974 HA VAL 974 -4.707 2.980 -1.384 121 HB VAL 974 HB VAL 974 -3.418 1.814 -3.096 122 1HG1 VAL 974 1HG1 VAL 974 -2.674 4.570 -4.072 123 2HG1 VAL 974 2HG1 VAL 974 -3.664 3.387 -4.928 124 3HG1 VAL 974 3HG1 VAL 974 -1.956 3.059 -4.633 125 1HG2 VAL 974 1HG2 VAL 974 -2.294 2.407 -1.024 126 2HG2 VAL 974 2HG2 VAL 974 -1.826 3.965 -1.705 127 3HG2 VAL 974 3HG2 VAL 974 -1.168 2.475 -2.380 128 H HIS 975 H HIS 975 -3.702 4.479 -0.089 129 HA HIS 975 HA HIS 975 -4.003 7.256 -0.979 130 1HB HIS 975 2HB HIS 975 -5.292 6.470 1.026 131 2HB HIS 975 1HB HIS 975 -3.755 6.222 1.852 132 HD1 HIS 975 1HD HIS 975 -3.413 8.072 3.452 133 HD2 HIS 975 2HD HIS 975 -5.134 9.385 -0.093 134 HE1 HIS 975 1HE HIS 975 -3.650 10.564 3.704 135 HE2 HIS 975 2HE HIS 975 -4.779 11.325 1.584 136 H VAL 976 H VAL 976 -2.005 7.461 -2.037 137 HA VAL 976 HA VAL 976 0.470 6.966 -0.683 138 HB VAL 976 HB VAL 976 0.417 6.896 -3.104 139 1HG1 VAL 976 1HG1 VAL 976 -0.294 9.824 -2.982 140 2HG1 VAL 976 2HG1 VAL 976 -1.357 8.517 -3.500 141 3HG1 VAL 976 3HG1 VAL 976 0.077 8.916 -4.446 142 1HG2 VAL 976 1HG2 VAL 976 2.321 8.369 -3.603 143 2HG2 VAL 976 2HG2 VAL 976 2.521 7.515 -2.073 144 3HG2 VAL 976 3HG2 VAL 976 2.050 9.215 -2.079 145 H ILE 977 H ILE 977 1.436 8.206 0.779 146 HA ILE 977 HA ILE 977 0.196 10.448 1.877 147 HB ILE 977 HB ILE 977 3.116 9.714 2.111 148 1HG1 ILE 977 1HG1 ILE 977 0.850 8.918 3.943 149 2HG1 ILE 977 2HG1 ILE 977 1.446 7.884 2.650 150 1HG2 ILE 977 1HG2 ILE 977 2.637 11.958 2.914 151 2HG2 ILE 977 2HG2 ILE 977 2.989 10.881 4.267 152 3HG2 ILE 977 3HG2 ILE 977 1.322 11.336 3.914 153 1HD1 ILE 977 1HD1 ILE 977 3.073 8.895 4.967 154 2HD1 ILE 977 2HD1 ILE 977 3.636 7.821 3.686 155 3HD1 ILE 977 3HD1 ILE 977 2.390 7.277 4.809 156 H THR 978 H THR 978 3.515 10.712 0.687 157 HA THR 978 HA THR 978 2.904 12.817 -1.169 158 HB THR 978 HB THR 978 4.388 13.564 1.360 159 HG1 THR 978 1HG THR 978 2.542 14.881 1.741 160 1HG2 THR 978 1HG2 THR 978 3.573 15.220 -1.032 161 2HG2 THR 978 2HG2 THR 978 5.218 14.735 -0.616 162 3HG2 THR 978 3HG2 THR 978 4.332 15.839 0.436 163 H ASP 979 H ASP 979 5.096 10.726 0.476 164 HA ASP 979 HA ASP 979 7.064 11.060 -1.650 165 1HB ASP 979 2HB ASP 979 7.742 11.253 1.293 166 2HB ASP 979 1HB ASP 979 8.916 11.179 -0.018 167 H ILE 980 H ILE 980 7.731 9.149 -2.357 168 HA ILE 980 HA ILE 980 6.962 6.791 -0.789 169 HB ILE 980 HB ILE 980 7.302 5.636 -3.080 170 1HG1 ILE 980 2HG1 ILE 980 6.938 8.507 -3.969 171 2HG1 ILE 980 1HG1 ILE 980 8.432 7.586 -4.125 172 1HG2 ILE 980 1HG2 ILE 980 5.143 5.914 -2.003 173 2HG2 ILE 980 2HG2 ILE 980 5.005 6.197 -3.739 174 3HG2 ILE 980 3HG2 ILE 980 5.026 7.562 -2.622 175 1HD1 ILE 980 1HD1 ILE 980 7.312 6.016 -5.615 176 2HD1 ILE 980 2HD1 ILE 980 7.225 7.669 -6.226 177 3HD1 ILE 980 3HD1 ILE 980 5.816 6.936 -5.458 178 H GLN 981 H GLN 981 9.291 7.892 0.078 179 HA GLN 981 HA GLN 981 11.454 6.313 -1.083 180 1HB GLN 981 2HB GLN 981 11.481 8.191 1.287 181 2HB GLN 981 1HB GLN 981 12.892 7.429 0.567 182 1HG GLN 981 1HG GLN 981 13.045 9.401 -0.498 183 2HG GLN 981 2HG GLN 981 11.902 8.637 -1.602 184 1HE2 GLN 981 2HE2 GLN 981 11.083 9.685 1.625 185 2HE2 GLN 981 1HE2 GLN 981 10.042 10.979 1.152 186 H VAL 982 H VAL 982 12.859 5.070 0.465 187 HA VAL 982 HA VAL 982 11.361 3.063 1.752 188 HB VAL 982 HB VAL 982 14.292 3.710 2.102 189 1HG1 VAL 982 1HG1 VAL 982 12.751 1.177 2.657 190 2HG1 VAL 982 2HG1 VAL 982 13.464 2.251 3.860 191 3HG1 VAL 982 3HG1 VAL 982 14.503 1.352 2.756 192 1HG2 VAL 982 1HG2 VAL 982 13.741 3.359 -0.233 193 2HG2 VAL 982 2HG2 VAL 982 12.904 1.859 0.167 194 3HG2 VAL 982 3HG2 VAL 982 14.650 1.981 0.388 195 H GLY 983 H GLY 983 10.755 2.754 3.827 196 1HA GLY 983 1HA GLY 983 10.880 3.154 6.183 197 2HA GLY 983 2HA GLY 983 11.629 4.708 5.843 198 H SER 984 H SER 984 9.261 4.532 3.645 199 HA SER 984 HA SER 984 7.516 6.258 5.169 200 1HB SER 984 2HB SER 984 7.323 5.262 2.316 201 2HB SER 984 1HB SER 984 6.273 6.482 3.037 202 HG SER 984 HG SER 984 9.003 6.920 3.254 203 H ARG 985 H ARG 985 5.144 5.925 5.152 204 HA ARG 985 HA ARG 985 4.327 3.116 5.123 205 1HB ARG 985 2HB ARG 985 5.054 3.565 7.421 206 2HB ARG 985 1HB ARG 985 3.974 4.950 7.502 207 1HG ARG 985 2HG ARG 985 2.049 3.462 7.243 208 2HG ARG 985 1HG ARG 985 3.139 2.075 7.181 209 1HD ARG 985 2HD ARG 985 2.869 3.990 9.494 210 2HD ARG 985 1HD ARG 985 2.153 2.380 9.410 211 HE ARG 985 HE ARG 985 4.901 2.132 8.981 212 1HH1 ARG 985 1HH1 ARG 985 2.701 3.039 11.526 213 2HH1 ARG 985 2HH1 ARG 985 3.753 2.515 12.798 214 1HH2 ARG 985 1HH2 ARG 985 6.292 1.439 10.648 215 2HH2 ARG 985 2HH2 ARG 985 5.794 1.606 12.300 216 H ILE 986 H ILE 986 3.075 3.668 3.298 217 HA ILE 986 HA ILE 986 1.022 5.684 3.504 218 HB ILE 986 HB ILE 986 0.283 4.893 1.304 219 1HG1 ILE 986 1HG1 ILE 986 2.502 2.849 1.545 220 2HG1 ILE 986 2HG1 ILE 986 0.786 2.485 1.684 221 1HG2 ILE 986 1HG2 ILE 986 2.064 6.535 1.415 222 2HG2 ILE 986 2HG2 ILE 986 2.326 5.446 0.054 223 3HG2 ILE 986 3HG2 ILE 986 3.268 5.253 1.533 224 1HD1 ILE 986 1HD1 ILE 986 1.629 1.916 -0.515 225 2HD1 ILE 986 2HD1 ILE 986 2.164 3.578 -0.755 226 3HD1 ILE 986 3HD1 ILE 986 0.444 3.218 -0.617 227 H THR 987 H THR 987 -1.281 4.956 2.825 228 HA THR 987 HA THR 987 -2.015 2.562 4.378 229 HB THR 987 HB THR 987 -3.987 3.752 5.244 230 HG1 THR 987 1HG THR 987 -3.728 6.188 5.012 231 1HG2 THR 987 1HG2 THR 987 -1.377 5.156 5.827 232 2HG2 THR 987 2HG2 THR 987 -1.960 3.684 6.606 233 3HG2 THR 987 3HG2 THR 987 -2.819 5.206 6.841 234 H TYR 988 H TYR 988 -3.760 1.385 3.651 235 HA TYR 988 HA TYR 988 -4.729 2.112 0.968 236 1HB TYR 988 2HB TYR 988 -4.482 -0.609 2.269 237 2HB TYR 988 1HB TYR 988 -5.156 -0.316 0.668 238 HD1 TYR 988 1HD TYR 988 -2.044 0.257 2.647 239 HD2 TYR 988 2HD TYR 988 -3.764 -0.431 -1.182 240 HE1 TYR 988 1HE TYR 988 0.207 0.080 1.674 241 HE2 TYR 988 2HE TYR 988 -1.518 -0.612 -2.166 242 HH TYR 988 HH TYR 988 1.293 -0.918 -0.284 243 H SER 989 H SER 989 -6.896 2.122 0.524 244 HA SER 989 HA SER 989 -8.787 1.272 2.570 245 1HB SER 989 2HB SER 989 -8.245 3.609 3.165 246 2HB SER 989 1HB SER 989 -8.726 4.120 1.547 247 HG SER 989 HG SER 989 -10.386 2.899 3.496 248 H CYS 990 H CYS 990 -11.108 1.814 1.750 249 HA CYS 990 HA CYS 990 -11.231 0.924 -1.039 250 1HB CYS 990 2HB CYS 990 -13.146 0.734 1.273 251 2HB CYS 990 1HB CYS 990 -13.689 0.484 -0.383 252 H THR 991 H THR 991 -12.841 1.817 -2.458 253 HA THR 991 HA THR 991 -12.816 4.669 -2.385 254 HB THR 991 HB THR 991 -12.645 3.510 -4.515 255 HG1 THR 991 1HG THR 991 -15.136 4.646 -4.884 256 1HG2 THR 991 1HG2 THR 991 -14.018 1.553 -3.996 257 2HG2 THR 991 2HG2 THR 991 -14.567 2.332 -5.481 258 3HG2 THR 991 3HG2 THR 991 -15.465 2.564 -3.979 259 H THR 992 H THR 992 -14.765 2.495 -0.838 260 HA THR 992 HA THR 992 -16.961 4.451 -0.677 261 HB THR 992 HB THR 992 -17.269 1.442 -0.635 262 HG1 THR 992 1HG THR 992 -18.674 2.332 -2.570 263 1HG2 THR 992 1HG2 THR 992 -19.679 1.913 -0.605 264 2HG2 THR 992 2HG2 THR 992 -19.337 3.640 -0.493 265 3HG2 THR 992 3HG2 THR 992 -18.878 2.562 0.825 266 H GLY 993 H GLY 993 -15.107 1.915 0.924 267 1HA GLY 993 2HA GLY 993 -14.465 2.665 3.270 268 2HA GLY 993 1HA GLY 993 -16.198 2.816 3.514 269 H HIS 994 H HIS 994 -15.083 0.243 1.518 270 HA HIS 994 HA HIS 994 -16.232 -1.708 3.258 271 1HB HIS 994 1HB HIS 994 -14.518 -2.175 0.812 272 2HB HIS 994 2HB HIS 994 -15.630 -3.318 1.556 273 HD1 HIS 994 1HD HIS 994 -18.167 -1.741 1.808 274 HD2 HIS 994 2HD HIS 994 -15.694 -1.480 -1.522 275 HE1 HIS 994 1HE HIS 994 -19.634 -0.906 -0.055 276 HE2 HIS 994 2HE HIS 994 -18.138 -0.846 -2.081 277 H ARG 995 H ARG 995 -14.655 -3.893 3.202 278 HA ARG 995 HA ARG 995 -12.627 -3.118 5.151 279 1HB ARG 995 2HB ARG 995 -14.321 -4.826 5.747 280 2HB ARG 995 1HB ARG 995 -13.701 -5.860 4.467 281 1HG ARG 995 2HG ARG 995 -12.759 -6.669 6.458 282 2HG ARG 995 1HG ARG 995 -11.470 -5.771 5.655 283 1HD ARG 995 2HD ARG 995 -13.229 -4.647 7.830 284 2HD ARG 995 1HD ARG 995 -11.635 -5.350 8.104 285 HE ARG 995 HE ARG 995 -11.227 -3.425 6.207 286 1HH1 ARG 995 1HH1 ARG 995 -12.585 -3.485 9.416 287 2HH1 ARG 995 2HH1 ARG 995 -12.113 -1.860 9.785 288 1HH2 ARG 995 1HH2 ARG 995 -10.602 -1.287 6.684 289 2HH2 ARG 995 2HH2 ARG 995 -10.986 -0.610 8.232 290 H LEU 996 H LEU 996 -10.483 -3.808 5.076 291 HA LEU 996 HA LEU 996 -9.493 -4.454 2.401 292 1HB LEU 996 1HB LEU 996 -8.593 -2.567 3.947 293 2HB LEU 996 2HB LEU 996 -7.778 -3.865 4.793 294 HG LEU 996 HG LEU 996 -6.337 -2.697 3.151 295 1HD1 LEU 996 1HD2 LEU 996 -6.884 -5.592 2.523 296 2HD1 LEU 996 2HD2 LEU 996 -5.831 -4.983 3.800 297 3HD1 LEU 996 3HD2 LEU 996 -5.418 -4.705 2.108 298 1HD2 LEU 996 1HD1 LEU 996 -8.213 -3.890 1.118 299 2HD2 LEU 996 2HD1 LEU 996 -6.685 -3.083 0.764 300 3HD2 LEU 996 3HD1 LEU 996 -8.019 -2.174 1.477 301 H ILE 997 H ILE 997 -9.256 -6.541 1.934 302 HA ILE 997 HA ILE 997 -8.855 -8.520 4.001 303 HB ILE 997 HB ILE 997 -8.897 -8.843 0.995 304 1HG1 ILE 997 1HG1 ILE 997 -11.157 -9.943 1.593 305 2HG1 ILE 997 2HG1 ILE 997 -11.015 -9.081 3.122 306 1HG2 ILE 997 1HG2 ILE 997 -9.200 -11.232 1.462 307 2HG2 ILE 997 2HG2 ILE 997 -8.994 -10.915 3.184 308 3HG2 ILE 997 3HG2 ILE 997 -7.657 -10.634 2.069 309 1HD1 ILE 997 1HD1 ILE 997 -11.073 -7.828 0.389 310 2HD1 ILE 997 2HD1 ILE 997 -10.921 -6.963 1.918 311 3HD1 ILE 997 3HD1 ILE 997 -12.396 -7.859 1.554 312 H GLY 998 H GLY 998 -6.837 -7.978 4.871 313 1HA GLY 998 2HA GLY 998 -4.555 -9.162 4.227 314 2HA GLY 998 1HA GLY 998 -4.544 -7.837 3.074 315 H HIS 999 H HIS 999 -3.683 -5.968 3.698 316 HA HIS 999 HA HIS 999 -3.648 -5.252 6.524 317 1HB HIS 999 2HB HIS 999 -1.534 -6.494 6.068 318 2HB HIS 999 1HB HIS 999 -1.127 -5.289 4.851 319 HD1 HIS 999 1HD HIS 999 0.999 -4.630 6.190 320 HD2 HIS 999 2HD HIS 999 -2.574 -4.001 8.214 321 HE1 HIS 999 1HE HIS 999 1.591 -3.185 8.160 322 HE2 HIS 999 2HE HIS 999 -0.572 -2.893 9.422 323 H SER1000 H SER1000 -4.414 -3.256 6.652 324 HA SER1000 HA SER1000 -4.467 -1.540 4.333 325 1HB SER1000 1HB SER1000 -5.789 -0.027 5.769 326 2HB SER1000 2HB SER1000 -6.428 -1.670 5.792 327 HG SER1000 HG SER1000 -4.687 -0.587 7.753 328 H SER1001 H SER1001 -1.850 -2.109 5.401 329 HA SER1001 HA SER1001 -0.892 0.606 5.483 330 1HB SER1001 2HB SER1001 -1.315 0.211 7.871 331 2HB SER1001 1HB SER1001 -0.321 -1.244 7.813 332 HG SER1001 HG SER1001 0.983 0.930 6.833 333 H ALA1002 H ALA1002 1.472 0.717 5.286 334 HA ALA1002 HA ALA1002 2.663 -1.748 4.231 335 1HB ALA1002 1HB ALA1002 2.721 0.870 2.741 336 2HB ALA1002 2HB ALA1002 1.643 -0.473 2.362 337 3HB ALA1002 3HB ALA1002 3.388 -0.675 2.211 338 H GLU1003 H GLU1003 5.005 -1.556 3.855 339 HA GLU1003 HA GLU1003 6.378 0.695 5.042 340 1HB GLU1003 1HB GLU1003 5.949 -0.743 6.993 341 2HB GLU1003 2HB GLU1003 6.731 -2.088 6.174 342 1HG GLU1003 2HG GLU1003 8.840 -0.862 6.162 343 2HG GLU1003 1HG GLU1003 8.057 0.494 6.974 344 H CYS1004 H CYS1004 7.625 1.152 3.334 345 HA CYS1004 HA CYS1004 8.427 -0.641 1.362 346 1HB CYS1004 1HB CYS1004 8.381 1.819 1.090 347 2HB CYS1004 2HB CYS1004 9.786 1.947 2.143 348 H ILE1005 H ILE1005 9.467 -2.463 1.986 349 HA ILE1005 HA ILE1005 12.042 -2.123 3.382 350 HB ILE1005 HB ILE1005 11.720 -4.377 4.346 351 1HG1 ILE1005 2HG1 ILE1005 8.894 -4.128 3.287 352 2HG1 ILE1005 1HG1 ILE1005 10.124 -5.197 2.620 353 1HG2 ILE1005 1HG2 ILE1005 11.178 -2.404 5.655 354 2HG2 ILE1005 2HG2 ILE1005 10.067 -3.722 6.035 355 3HG2 ILE1005 3HG2 ILE1005 9.541 -2.396 4.996 356 1HD1 ILE1005 1HD1 ILE1005 10.219 -6.405 4.738 357 2HD1 ILE1005 2HD1 ILE1005 8.594 -6.408 4.054 358 3HD1 ILE1005 3HD1 ILE1005 8.982 -5.337 5.400 359 H LEU1006 H LEU1006 13.795 -3.168 2.571 360 HA LEU1006 HA LEU1006 13.523 -4.360 -0.063 361 1HB LEU1006 1HB LEU1006 16.006 -3.799 1.559 362 2HB LEU1006 2HB LEU1006 15.967 -4.294 -0.121 363 HG LEU1006 HG LEU1006 14.602 -2.124 -0.498 364 1HD1 LEU1006 1HD2 LEU1006 14.202 -1.618 1.852 365 2HD1 LEU1006 2HD2 LEU1006 15.124 -0.330 1.076 366 3HD1 LEU1006 3HD2 LEU1006 15.939 -1.487 2.128 367 1HD2 LEU1006 1HD1 LEU1006 16.666 -0.842 -0.779 368 2HD2 LEU1006 2HD1 LEU1006 16.856 -2.500 -1.350 369 3HD2 LEU1006 3HD1 LEU1006 17.532 -2.019 0.207 370 H SER1007 H SER1007 14.593 -6.383 -0.603 371 HA SER1007 HA SER1007 15.244 -8.193 1.558 372 1HB SER1007 1HB SER1007 13.594 -9.904 0.863 373 2HB SER1007 2HB SER1007 12.815 -8.440 1.466 374 HG SER1007 HG SER1007 11.771 -8.919 -0.396 375 H GLY1008 H GLY1008 16.265 -6.944 -1.063 376 1HA GLY1008 2HA GLY1008 18.098 -7.772 -2.309 377 2HA GLY1008 1HA GLY1008 17.530 -9.408 -2.013 378 H ASN1009 H ASN1009 14.748 -8.521 -2.772 379 HA ASN1009 HA ASN1009 15.165 -8.599 -5.686 380 1HB ASN1009 1HB ASN1009 12.816 -9.599 -4.058 381 2HB ASN1009 2HB ASN1009 12.946 -9.678 -5.813 382 1HD2 ASN1009 2HD2 ASN1009 12.652 -11.815 -3.854 383 2HD2 ASN1009 1HD2 ASN1009 13.997 -12.871 -4.093 384 H THR1010 H THR1010 15.392 -6.155 -5.100 385 HA THR1010 HA THR1010 14.610 -4.049 -5.411 386 HB THR1010 HB THR1010 12.280 -5.561 -6.573 387 HG1 THR1010 1HG THR1010 14.307 -4.008 -7.835 388 1HG2 THR1010 1HG2 THR1010 12.802 -2.585 -6.648 389 2HG2 THR1010 2HG2 THR1010 11.483 -3.384 -5.793 390 3HG2 THR1010 3HG2 THR1010 11.547 -3.430 -7.554 391 H ALA1011 H ALA1011 13.780 -2.569 -4.060 392 HA ALA1011 HA ALA1011 12.583 -3.341 -1.643 393 1HB ALA1011 1HB ALA1011 12.343 -0.957 -1.198 394 2HB ALA1011 2HB ALA1011 12.668 -0.597 -2.893 395 3HB ALA1011 3HB ALA1011 13.927 -1.312 -1.886 396 H HIS1012 H HIS1012 10.584 -4.054 -1.347 397 HA HIS1012 HA HIS1012 8.397 -2.765 -2.838 398 1HB HIS1012 2HB HIS1012 7.234 -4.929 -2.934 399 2HB HIS1012 1HB HIS1012 8.788 -5.000 -3.761 400 HD1 HIS1012 1HD HIS1012 6.865 -6.520 -1.015 401 HD2 HIS1012 2HD HIS1012 10.800 -6.486 -2.349 402 HE1 HIS1012 1HE HIS1012 7.989 -8.439 0.158 403 HE2 HIS1012 2HE HIS1012 10.339 -8.465 -0.748 404 H TRP1013 H TRP1013 6.341 -2.739 -1.761 405 HA TRP1013 HA TRP1013 6.567 -2.148 1.014 406 1HB TRP1013 2HB TRP1013 4.035 -2.508 -0.601 407 2HB TRP1013 1HB TRP1013 4.207 -1.627 0.915 408 HD1 TRP1013 HD TRP1013 4.739 -1.274 -2.824 409 HE1 TRP1013 1HE TRP1013 5.347 1.167 -3.363 410 HE3 TRP1013 3HE TRP1013 5.390 0.472 1.937 411 HZ2 TRP1013 2HZ TRP1013 6.017 3.521 -1.960 412 HZ3 TRP1013 3HZ TRP1013 6.015 2.831 2.252 413 HH2 TRP1013 HH TRP1013 6.321 4.323 0.343 414 H SER1014 H SER1014 5.736 -3.235 2.790 415 HA SER1014 HA SER1014 5.972 -6.071 2.569 416 1HB SER1014 1HB SER1014 5.667 -6.058 5.025 417 2HB SER1014 2HB SER1014 6.885 -4.893 4.503 418 HG SER1014 HG SER1014 5.631 -3.763 5.869 419 H THR1015 H THR1015 3.449 -4.228 1.778 420 HA THR1015 HA THR1015 1.243 -5.264 3.149 421 HB THR1015 HB THR1015 -0.085 -4.623 1.131 422 HG1 THR1015 1HG THR1015 2.523 -4.280 0.104 423 1HG2 THR1015 1HG2 THR1015 1.919 -2.585 2.105 424 2HG2 THR1015 2HG2 THR1015 0.383 -2.986 2.875 425 3HG2 THR1015 3HG2 THR1015 0.400 -2.220 1.287 426 H LYS1016 H LYS1016 0.117 -7.115 3.029 427 HA LYS1016 HA LYS1016 0.784 -9.130 1.047 428 1HB LYS1016 2HB LYS1016 -1.230 -9.064 3.301 429 2HB LYS1016 1HB LYS1016 -1.068 -10.417 2.191 430 1HG LYS1016 2HG LYS1016 0.135 -10.998 4.130 431 2HG LYS1016 1HG LYS1016 1.340 -10.576 2.913 432 1HD LYS1016 2HD LYS1016 1.558 -8.347 3.902 433 2HD LYS1016 1HD LYS1016 0.356 -8.773 5.123 434 1HE LYS1016 1HE LYS1016 3.027 -10.115 4.719 435 2HE LYS1016 2HE LYS1016 2.626 -8.975 6.002 436 1HZ LYS1016 1HZ LYS1016 0.967 -10.535 6.818 437 2HZ LYS1016 2HZ LYS1016 2.500 -11.249 6.787 438 3HZ LYS1016 3HZ LYS1016 1.365 -11.632 5.592 439 HA PRO1017 HA PRO1017 -2.009 -8.323 -2.210 440 1HB PRO1017 2HB PRO1017 -3.412 -10.857 -1.450 441 2HB PRO1017 1HB PRO1017 -2.899 -10.295 -3.045 442 1HG PRO1017 1HG PRO1017 -1.482 -12.126 -1.724 443 2HG PRO1017 2HG PRO1017 -0.681 -10.862 -2.675 444 1HD PRO1017 2HD PRO1017 -0.902 -11.158 0.267 445 2HD PRO1017 1HD PRO1017 0.356 -10.363 -0.698 446 HA PRO1018 HA PRO1018 -5.266 -6.710 0.534 447 1HB PRO1018 2HB PRO1018 -5.433 -4.260 -0.527 448 2HB PRO1018 1HB PRO1018 -4.076 -4.724 0.506 449 1HG PRO1018 2HG PRO1018 -4.213 -4.537 -2.477 450 2HG PRO1018 1HG PRO1018 -2.912 -4.036 -1.383 451 1HD PRO1018 2HD PRO1018 -2.936 -6.401 -2.802 452 2HD PRO1018 1HD PRO1018 -2.011 -6.134 -1.312 453 H ILE1019 H ILE1019 -7.460 -6.534 0.290 454 HA ILE1019 HA ILE1019 -8.559 -6.351 -2.425 455 HB ILE1019 HB ILE1019 -9.668 -8.320 -0.435 456 1HG1 ILE1019 2HG1 ILE1019 -7.770 -8.920 -2.716 457 2HG1 ILE1019 1HG1 ILE1019 -7.328 -8.937 -1.012 458 1HG2 ILE1019 1HG2 ILE1019 -11.189 -7.580 -2.178 459 2HG2 ILE1019 2HG2 ILE1019 -10.747 -9.269 -2.422 460 3HG2 ILE1019 3HG2 ILE1019 -10.008 -8.012 -3.415 461 1HD1 ILE1019 1HD1 ILE1019 -9.343 -10.738 -2.329 462 2HD1 ILE1019 2HD1 ILE1019 -8.905 -10.755 -0.620 463 3HD1 ILE1019 3HD1 ILE1019 -7.707 -11.180 -1.842 464 H CYS1020 H CYS1020 -10.931 -5.897 -2.390 465 HA CYS1020 HA CYS1020 -11.709 -4.395 0.022 466 1HB CYS1020 2HB CYS1020 -11.067 -2.882 -1.841 467 2HB CYS1020 1HB CYS1020 -12.309 -3.626 -2.843 468 H GLN1021 H GLN1021 -13.467 -5.213 0.943 469 HA GLN1021 HA GLN1021 -15.440 -6.591 -0.756 470 1HB GLN1021 2HB GLN1021 -14.045 -8.254 0.375 471 2HB GLN1021 1HB GLN1021 -14.404 -7.516 1.929 472 1HG GLN1021 2HG GLN1021 -15.720 -9.519 1.601 473 2HG GLN1021 1HG GLN1021 -16.758 -8.096 1.670 474 1HE2 GLN1021 1HE2 GLN1021 -17.821 -7.411 -0.178 475 2HE2 GLN1021 2HE2 GLN1021 -17.982 -8.413 -1.576 476 H ARG1022 H ARG1022 -17.406 -5.777 -0.552 477 HA ARG1022 HA ARG1022 -18.074 -3.684 1.151 478 1HB ARG1022 1HB ARG1022 -19.290 -4.184 -0.921 479 2HB ARG1022 2HB ARG1022 -19.927 -5.655 -0.200 480 1HG ARG1022 2HG ARG1022 -21.146 -4.348 1.443 481 2HG ARG1022 1HG ARG1022 -20.470 -2.859 0.781 482 1HD ARG1022 2HD ARG1022 -22.241 -4.804 -0.694 483 2HD ARG1022 1HD ARG1022 -22.748 -3.255 -0.022 484 HE ARG1022 HE ARG1022 -20.574 -2.905 -1.803 485 1HH1 ARG1022 1HH1 ARG1022 -23.994 -3.569 -1.741 486 2HH1 ARG1022 2HH1 ARG1022 -24.289 -2.873 -3.298 487 1HH2 ARG1022 1HH2 ARG1022 -20.953 -1.986 -3.855 488 2HH2 ARG1022 2HH2 ARG1022 -22.560 -1.974 -4.500 489 H ILE1023 H ILE1023 -18.304 -3.673 3.275 490 HA ILE1023 HA ILE1023 -18.687 -6.071 4.785 491 HB ILE1023 HB ILE1023 -18.795 -4.435 6.719 492 1HG1 ILE1023 1HG1 ILE1023 -18.040 -2.484 4.536 493 2HG1 ILE1023 2HG1 ILE1023 -19.563 -2.487 5.419 494 1HG2 ILE1023 1HG2 ILE1023 -16.763 -5.616 6.127 495 2HG2 ILE1023 2HG2 ILE1023 -16.387 -3.969 6.630 496 3HG2 ILE1023 3HG2 ILE1023 -16.383 -4.389 4.918 497 1HD1 ILE1023 1HD1 ILE1023 -16.844 -2.013 6.616 498 2HD1 ILE1023 2HD1 ILE1023 -18.380 -1.991 7.485 499 3HD1 ILE1023 3HD1 ILE1023 -18.048 -0.778 6.248 500 HA PRO1024 HA PRO1024 -23.129 -5.935 4.889 501 1HB PRO1024 1HB PRO1024 -23.537 -7.643 6.952 502 2HB PRO1024 2HB PRO1024 -23.034 -8.188 5.347 503 1HG PRO1024 2HG PRO1024 -21.380 -7.743 7.804 504 2HG PRO1024 1HG PRO1024 -21.318 -9.081 6.641 505 1HD PRO1024 2HD PRO1024 -19.561 -7.016 6.594 506 2HD PRO1024 1HD PRO1024 -20.073 -7.873 5.127 Start of MODEL 11 1 1H GLU 957 1HT GLU 957 23.654 -1.430 -10.779 2 2H GLU 957 2HT GLU 957 23.467 0.239 -10.575 3 3H GLU 957 3HT GLU 957 22.234 -0.668 -11.296 4 HA GLU 957 HA GLU 957 21.671 -0.101 -9.028 5 1HB GLU 957 1HB GLU 957 20.842 -2.203 -9.995 6 2HB GLU 957 2HB GLU 957 22.288 -3.034 -9.436 7 1HG GLU 957 2HG GLU 957 21.660 -2.573 -7.121 8 2HG GLU 957 1HG GLU 957 20.209 -1.742 -7.683 9 H ALA 958 H ALA 958 22.910 0.927 -7.568 10 HA ALA 958 HA ALA 958 25.031 -0.641 -6.251 11 1HB ALA 958 1HB ALA 958 26.252 1.430 -5.862 12 2HB ALA 958 2HB ALA 958 24.989 2.343 -6.689 13 3HB ALA 958 3HB ALA 958 25.971 1.185 -7.586 14 H GLU 959 H GLU 959 22.133 1.117 -5.917 15 HA GLU 959 HA GLU 959 22.067 0.586 -3.081 16 1HB GLU 959 2HB GLU 959 23.208 2.754 -3.132 17 2HB GLU 959 1HB GLU 959 21.902 3.429 -4.098 18 1HG GLU 959 1HG GLU 959 21.695 4.107 -1.788 19 2HG GLU 959 2HG GLU 959 20.347 3.070 -2.251 20 H ALA 960 H ALA 960 20.211 -0.533 -3.118 21 HA ALA 960 HA ALA 960 17.949 0.353 -4.697 22 1HB ALA 960 1HB ALA 960 18.186 -1.967 -2.783 23 2HB ALA 960 2HB ALA 960 18.460 -2.036 -4.525 24 3HB ALA 960 3HB ALA 960 16.852 -1.671 -3.899 25 H LYS 961 H LYS 961 16.435 1.698 -3.988 26 HA LYS 961 HA LYS 961 15.471 1.697 -1.297 27 1HB LYS 961 1HB LYS 961 17.640 2.938 -1.083 28 2HB LYS 961 2HB LYS 961 17.002 4.147 -2.189 29 1HG LYS 961 1HG LYS 961 16.771 4.941 0.058 30 2HG LYS 961 2HG LYS 961 15.168 4.585 -0.588 31 1HD LYS 961 1HD LYS 961 15.304 3.768 1.675 32 2HD LYS 961 2HD LYS 961 15.235 2.395 0.568 33 1HE LYS 961 1HE LYS 961 17.662 2.139 0.734 34 2HE LYS 961 2HE LYS 961 17.733 3.513 1.836 35 1HZ LYS 961 1HZ LYS 961 16.301 0.962 2.347 36 2HZ LYS 961 2HZ LYS 961 16.370 2.279 3.404 37 3HZ LYS 961 3HZ LYS 961 17.779 1.419 3.033 38 H SER 962 H SER 962 13.830 3.448 -0.960 39 HA SER 962 HA SER 962 12.013 4.659 -1.583 40 1HB SER 962 2HB SER 962 13.548 5.076 -4.160 41 2HB SER 962 1HB SER 962 12.126 5.988 -3.654 42 HG SER 962 HG SER 962 13.561 6.351 -1.664 43 H CYS 963 H CYS 963 10.303 3.362 -1.731 44 HA CYS 963 HA CYS 963 9.969 1.310 -3.651 45 1HB CYS 963 2HB CYS 963 7.963 2.723 -1.884 46 2HB CYS 963 1HB CYS 963 7.588 1.309 -2.863 47 H LYS 964 H LYS 964 7.805 1.336 -5.000 48 HA LYS 964 HA LYS 964 7.814 3.832 -6.562 49 1HB LYS 964 1HB LYS 964 9.107 1.910 -7.589 50 2HB LYS 964 2HB LYS 964 7.574 1.064 -7.742 51 1HG LYS 964 2HG LYS 964 6.725 2.851 -9.173 52 2HG LYS 964 1HG LYS 964 8.260 3.707 -9.014 53 1HD LYS 964 1HD LYS 964 8.240 2.518 -11.107 54 2HD LYS 964 2HD LYS 964 9.402 1.751 -10.022 55 1HE LYS 964 2HE LYS 964 8.083 0.079 -11.202 56 2HE LYS 964 1HE LYS 964 7.757 0.030 -9.470 57 1HZ LYS 964 1HZ LYS 964 6.047 1.347 -11.511 58 2HZ LYS 964 2HZ LYS 964 5.734 1.292 -9.849 59 3HZ LYS 964 3HZ LYS 964 5.723 -0.134 -10.760 60 H THR 965 H THR 965 5.955 3.168 -4.529 61 HA THR 965 HA THR 965 3.733 3.357 -4.130 62 HB THR 965 HB THR 965 2.339 4.463 -5.704 63 HG1 THR 965 1HG THR 965 3.088 4.670 -7.936 64 1HG2 THR 965 1HG2 THR 965 3.726 6.346 -6.430 65 2HG2 THR 965 2HG2 THR 965 5.179 5.389 -6.146 66 3HG2 THR 965 3HG2 THR 965 4.143 5.843 -4.792 67 HA PRO 966 HA PRO 966 2.082 -0.615 -5.290 68 1HB PRO 966 2HB PRO 966 -0.093 -0.601 -3.726 69 2HB PRO 966 1HB PRO 966 1.533 -0.736 -3.043 70 1HG PRO 966 2HG PRO 966 -0.254 1.659 -3.235 71 2HG PRO 966 1HG PRO 966 0.760 1.127 -1.883 72 1HD PRO 966 1HD PRO 966 1.475 3.088 -3.671 73 2HD PRO 966 2HD PRO 966 2.634 2.110 -2.749 74 HA PRO 967 HA PRO 967 -0.672 0.441 -8.669 75 1HB PRO 967 2HB PRO 967 -1.451 -2.413 -8.328 76 2HB PRO 967 1HB PRO 967 -0.954 -1.549 -9.787 77 1HG PRO 967 1HG PRO 967 0.715 -3.230 -8.571 78 2HG PRO 967 2HG PRO 967 1.303 -1.710 -9.271 79 1HD PRO 967 1HD PRO 967 0.812 -2.419 -6.411 80 2HD PRO 967 2HD PRO 967 2.091 -1.413 -7.122 81 H ASP 968 H ASP 968 -2.780 1.038 -8.824 82 HA ASP 968 HA ASP 968 -4.298 1.361 -6.523 83 1HB ASP 968 1HB ASP 968 -6.215 1.755 -8.237 84 2HB ASP 968 2HB ASP 968 -4.830 2.841 -8.238 85 HA PRO 969 HA PRO 969 -5.809 -2.872 -6.353 86 1HB PRO 969 2HB PRO 969 -6.537 -2.397 -3.618 87 2HB PRO 969 1HB PRO 969 -5.169 -3.322 -4.234 88 1HG PRO 969 1HG PRO 969 -4.952 -0.949 -2.853 89 2HG PRO 969 2HG PRO 969 -3.719 -1.586 -3.957 90 1HD PRO 969 2HD PRO 969 -5.794 0.515 -4.440 91 2HD PRO 969 1HD PRO 969 -4.104 0.448 -4.987 92 H VAL 970 H VAL 970 -7.738 -3.334 -7.171 93 HA VAL 970 HA VAL 970 -9.972 -3.277 -7.639 94 HB VAL 970 HB VAL 970 -9.618 -4.465 -5.386 95 1HG1 VAL 970 1HG1 VAL 970 -9.416 -2.482 -4.003 96 2HG1 VAL 970 2HG1 VAL 970 -10.777 -3.475 -3.480 97 3HG1 VAL 970 3HG1 VAL 970 -11.064 -2.007 -4.415 98 1HG2 VAL 970 1HG2 VAL 970 -11.539 -4.850 -6.825 99 2HG2 VAL 970 2HG2 VAL 970 -12.353 -3.445 -6.138 100 3HG2 VAL 970 3HG2 VAL 970 -12.019 -4.851 -5.128 101 H ASN 971 H ASN 971 -12.158 -2.146 -6.342 102 HA ASN 971 HA ASN 971 -12.415 0.335 -7.459 103 1HB ASN 971 1HB ASN 971 -13.752 -0.708 -4.954 104 2HB ASN 971 2HB ASN 971 -14.286 0.707 -5.857 105 1HD2 ASN 971 1HD2 ASN 971 -16.285 -0.210 -6.277 106 2HD2 ASN 971 2HD2 ASN 971 -16.490 -1.483 -7.428 107 H GLY 972 H GLY 972 -11.071 -0.478 -4.314 108 1HA GLY 972 1HA GLY 972 -10.984 2.135 -3.251 109 2HA GLY 972 2HA GLY 972 -9.980 0.788 -2.739 110 H MET 973 H MET 973 -8.840 3.192 -2.653 111 HA MET 973 HA MET 973 -6.856 3.030 -4.789 112 1HB MET 973 2HB MET 973 -6.895 5.423 -5.208 113 2HB MET 973 1HB MET 973 -8.480 4.733 -5.523 114 1HG MET 973 1HG MET 973 -7.720 6.154 -2.983 115 2HG MET 973 2HG MET 973 -8.530 6.915 -4.351 116 1HE MET 973 1HE MET 973 -10.969 6.247 -5.181 117 2HE MET 973 2HE MET 973 -11.937 4.972 -4.441 118 3HE MET 973 3HE MET 973 -10.462 4.564 -5.319 119 H VAL 974 H VAL 974 -4.805 3.675 -4.191 120 HA VAL 974 HA VAL 974 -4.371 3.849 -1.324 121 HB VAL 974 HB VAL 974 -2.992 2.296 -2.609 122 1HG1 VAL 974 1HG1 VAL 974 -1.303 3.122 -4.184 123 2HG1 VAL 974 2HG1 VAL 974 -1.954 4.753 -4.018 124 3HG1 VAL 974 3HG1 VAL 974 -2.940 3.477 -4.732 125 1HG2 VAL 974 1HG2 VAL 974 -2.060 3.259 -0.579 126 2HG2 VAL 974 2HG2 VAL 974 -1.413 4.616 -1.502 127 3HG2 VAL 974 3HG2 VAL 974 -0.793 2.987 -1.776 128 H HIS 975 H HIS 975 -3.636 5.594 -0.236 129 HA HIS 975 HA HIS 975 -3.586 8.115 -1.703 130 1HB HIS 975 1HB HIS 975 -5.035 7.830 0.321 131 2HB HIS 975 2HB HIS 975 -3.572 7.668 1.288 132 HD1 HIS 975 1HD HIS 975 -3.073 9.775 2.463 133 HD2 HIS 975 2HD HIS 975 -4.735 10.451 -1.283 134 HE1 HIS 975 1HE HIS 975 -3.181 12.276 2.220 135 HE2 HIS 975 2HE HIS 975 -4.085 12.660 -0.102 136 H VAL 976 H VAL 976 -1.706 8.916 -2.337 137 HA VAL 976 HA VAL 976 0.759 8.207 -0.947 138 HB VAL 976 HB VAL 976 0.318 9.863 -3.440 139 1HG1 VAL 976 1HG2 VAL 976 2.747 9.662 -3.759 140 2HG1 VAL 976 2HG2 VAL 976 2.879 8.874 -2.187 141 3HG1 VAL 976 3HG2 VAL 976 2.345 10.552 -2.291 142 1HG2 VAL 976 1HG1 VAL 976 -0.248 7.516 -3.752 143 2HG2 VAL 976 2HG1 VAL 976 1.317 7.037 -3.093 144 3HG2 VAL 976 3HG1 VAL 976 1.234 7.920 -4.618 145 H ILE 977 H ILE 977 1.376 9.380 0.735 146 HA ILE 977 HA ILE 977 0.217 11.814 1.501 147 HB ILE 977 HB ILE 977 2.903 10.730 2.358 148 1HG1 ILE 977 1HG1 ILE 977 0.224 10.312 3.690 149 2HG1 ILE 977 2HG1 ILE 977 0.938 9.147 2.580 150 1HG2 ILE 977 1HG2 ILE 977 1.008 12.646 3.712 151 2HG2 ILE 977 2HG2 ILE 977 2.562 13.055 2.986 152 3HG2 ILE 977 3HG2 ILE 977 2.499 12.014 4.408 153 1HD1 ILE 977 1HD1 ILE 977 2.847 8.892 4.063 154 2HD1 ILE 977 2HD1 ILE 977 1.334 8.533 4.894 155 3HD1 ILE 977 3HD1 ILE 977 2.149 10.072 5.173 156 H THR 978 H THR 978 3.661 11.387 0.683 157 HA THR 978 HA THR 978 3.582 13.845 -0.899 158 HB THR 978 HB THR 978 5.645 14.681 0.243 159 HG1 THR 978 1HG THR 978 5.305 13.473 2.598 160 1HG2 THR 978 1HG2 THR 978 3.460 15.641 0.765 161 2HG2 THR 978 2HG2 THR 978 4.478 15.590 2.204 162 3HG2 THR 978 3HG2 THR 978 3.195 14.399 1.988 163 H ASP 979 H ASP 979 5.783 11.361 0.400 164 HA ASP 979 HA ASP 979 6.906 11.063 -2.301 165 1HB ASP 979 1HB ASP 979 8.441 11.034 0.309 166 2HB ASP 979 2HB ASP 979 9.124 10.693 -1.278 167 H ILE 980 H ILE 980 8.675 8.991 -1.667 168 HA ILE 980 HA ILE 980 7.068 6.836 -0.560 169 HB ILE 980 HB ILE 980 7.625 5.533 -2.778 170 1HG1 ILE 980 1HG1 ILE 980 7.341 8.384 -3.757 171 2HG1 ILE 980 2HG1 ILE 980 8.835 7.451 -3.788 172 1HG2 ILE 980 1HG2 ILE 980 5.329 7.475 -2.539 173 2HG2 ILE 980 2HG2 ILE 980 5.393 5.849 -1.860 174 3HG2 ILE 980 3HG2 ILE 980 5.382 6.075 -3.609 175 1HD1 ILE 980 1HD1 ILE 980 7.779 7.492 -5.969 176 2HD1 ILE 980 2HD1 ILE 980 6.313 6.788 -5.287 177 3HD1 ILE 980 3HD1 ILE 980 7.808 5.854 -5.317 178 H GLN 981 H GLN 981 9.573 8.054 0.156 179 HA GLN 981 HA GLN 981 11.552 6.012 -0.528 180 1HB GLN 981 2HB GLN 981 11.864 8.569 1.055 181 2HB GLN 981 1HB GLN 981 13.169 7.489 0.585 182 1HG GLN 981 1HG GLN 981 12.710 7.949 -1.767 183 2HG GLN 981 2HG GLN 981 11.398 9.030 -1.299 184 1HE2 GLN 981 1HE2 GLN 981 12.347 10.797 -2.292 185 2HE2 GLN 981 2HE2 GLN 981 13.742 11.583 -1.646 186 H VAL 982 H VAL 982 13.119 5.806 1.615 187 HA VAL 982 HA VAL 982 11.768 4.054 3.332 188 HB VAL 982 HB VAL 982 14.176 3.913 3.011 189 1HG1 VAL 982 1HG2 VAL 982 15.693 5.538 4.043 190 2HG1 VAL 982 2HG2 VAL 982 14.310 6.523 4.517 191 3HG1 VAL 982 3HG2 VAL 982 14.679 6.284 2.809 192 1HG2 VAL 982 1HG1 VAL 982 13.448 4.514 5.876 193 2HG2 VAL 982 2HG1 VAL 982 14.863 3.608 5.342 194 3HG2 VAL 982 3HG1 VAL 982 13.247 2.968 5.053 195 H GLY 983 H GLY 983 10.876 4.263 5.340 196 1HA GLY 983 1HA GLY 983 10.390 5.348 7.377 197 2HA GLY 983 2HA GLY 983 11.024 6.843 6.707 198 H SER 984 H SER 984 9.281 6.055 4.237 199 HA SER 984 HA SER 984 7.018 7.646 5.043 200 1HB SER 984 2HB SER 984 7.631 6.276 2.412 201 2HB SER 984 1HB SER 984 6.316 7.420 2.681 202 HG SER 984 HG SER 984 9.043 8.036 3.140 203 H ARG 985 H ARG 985 4.994 6.980 5.492 204 HA ARG 985 HA ARG 985 4.344 4.139 5.115 205 1HB ARG 985 1HB ARG 985 5.076 4.478 7.445 206 2HB ARG 985 2HB ARG 985 3.850 5.722 7.644 207 1HG ARG 985 2HG ARG 985 2.097 4.065 7.274 208 2HG ARG 985 1HG ARG 985 3.326 2.814 7.063 209 1HD ARG 985 1HD ARG 985 4.112 3.208 9.348 210 2HD ARG 985 2HD ARG 985 2.877 4.448 9.558 211 HE ARG 985 HE ARG 985 1.618 2.071 8.790 212 1HH1 ARG 985 1HH1 ARG 985 3.397 3.375 11.488 213 2HH1 ARG 985 2HH1 ARG 985 2.599 2.381 12.660 214 1HH2 ARG 985 1HH2 ARG 985 0.563 0.758 10.325 215 2HH2 ARG 985 2HH2 ARG 985 0.989 0.892 11.999 216 H ILE 986 H ILE 986 3.040 4.760 3.350 217 HA ILE 986 HA ILE 986 0.821 6.565 3.771 218 HB ILE 986 HB ILE 986 0.164 6.004 1.484 219 1HG1 ILE 986 1HG1 ILE 986 2.515 4.098 1.528 220 2HG1 ILE 986 2HG1 ILE 986 0.821 3.617 1.550 221 1HG2 ILE 986 1HG2 ILE 986 3.113 6.554 1.791 222 2HG2 ILE 986 2HG2 ILE 986 1.815 7.747 1.813 223 3HG2 ILE 986 3HG2 ILE 986 2.165 6.853 0.334 224 1HD1 ILE 986 1HD1 ILE 986 2.203 5.100 -0.673 225 2HD1 ILE 986 2HD1 ILE 986 0.508 4.615 -0.650 226 3HD1 ILE 986 3HD1 ILE 986 1.775 3.389 -0.667 227 H THR 987 H THR 987 -1.413 5.748 3.044 228 HA THR 987 HA THR 987 -1.921 3.137 4.311 229 HB THR 987 HB THR 987 -3.948 4.075 5.353 230 HG1 THR 987 1HG THR 987 -4.563 6.073 4.949 231 1HG2 THR 987 1HG2 THR 987 -1.420 5.573 6.053 232 2HG2 THR 987 2HG2 THR 987 -1.877 3.978 6.650 233 3HG2 THR 987 3HG2 THR 987 -2.832 5.393 7.095 234 H TYR 988 H TYR 988 -3.543 1.899 3.459 235 HA TYR 988 HA TYR 988 -4.549 2.704 0.849 236 1HB TYR 988 2HB TYR 988 -4.783 0.081 2.340 237 2HB TYR 988 1HB TYR 988 -5.346 0.364 0.696 238 HD1 TYR 988 1HD TYR 988 -2.360 0.060 2.833 239 HD2 TYR 988 2HD TYR 988 -3.822 0.388 -1.148 240 HE1 TYR 988 1HE TYR 988 -0.142 -0.559 1.974 241 HE2 TYR 988 2HE TYR 988 -1.608 -0.232 -2.019 242 HH TYR 988 HH TYR 988 0.844 -1.522 -0.056 243 H SER 989 H SER 989 -6.712 2.879 0.313 244 HA SER 989 HA SER 989 -8.697 2.540 2.431 245 1HB SER 989 2HB SER 989 -7.994 4.923 2.490 246 2HB SER 989 1HB SER 989 -8.468 5.080 0.799 247 HG SER 989 HG SER 989 -10.208 5.748 1.942 248 H CYS 990 H CYS 990 -10.964 2.963 1.461 249 HA CYS 990 HA CYS 990 -11.043 1.778 -1.235 250 1HB CYS 990 1HB CYS 990 -11.832 0.278 0.606 251 2HB CYS 990 2HB CYS 990 -13.106 1.444 0.951 252 H THR 991 H THR 991 -13.125 2.236 -2.411 253 HA THR 991 HA THR 991 -13.241 5.066 -2.679 254 HB THR 991 HB THR 991 -13.375 3.652 -4.649 255 HG1 THR 991 1HG THR 991 -15.901 4.918 -4.315 256 1HG2 THR 991 1HG2 THR 991 -15.374 2.308 -5.119 257 2HG2 THR 991 2HG2 THR 991 -16.011 2.701 -3.521 258 3HG2 THR 991 3HG2 THR 991 -14.540 1.739 -3.671 259 H THR 992 H THR 992 -14.856 3.014 -0.620 260 HA THR 992 HA THR 992 -16.982 5.001 -0.209 261 HB THR 992 HB THR 992 -17.376 2.004 -0.148 262 HG1 THR 992 1HG THR 992 -18.655 2.373 -1.970 263 1HG2 THR 992 1HG2 THR 992 -19.330 4.252 0.362 264 2HG2 THR 992 2HG2 THR 992 -18.708 3.123 1.565 265 3HG2 THR 992 3HG2 THR 992 -19.741 2.540 0.261 266 H GLY 993 H GLY 993 -14.883 2.518 1.091 267 1HA GLY 993 2HA GLY 993 -13.969 3.139 3.352 268 2HA GLY 993 1HA GLY 993 -15.650 3.345 3.822 269 H HIS 994 H HIS 994 -15.164 0.804 1.637 270 HA HIS 994 HA HIS 994 -16.096 -1.162 3.411 271 1HB HIS 994 1HB HIS 994 -14.569 -1.568 0.829 272 2HB HIS 994 2HB HIS 994 -15.597 -2.753 1.632 273 HD1 HIS 994 1HD HIS 994 -18.169 -1.458 2.087 274 HD2 HIS 994 2HD HIS 994 -15.913 -0.584 -1.290 275 HE1 HIS 994 1HE HIS 994 -19.799 -0.530 0.412 276 HE2 HIS 994 2HE HIS 994 -18.392 0.093 -1.583 277 H ARG 995 H ARG 995 -15.050 -2.943 4.363 278 HA ARG 995 HA ARG 995 -12.677 -2.265 5.698 279 1HB ARG 995 2HB ARG 995 -14.370 -3.778 6.636 280 2HB ARG 995 1HB ARG 995 -13.981 -4.978 5.413 281 1HG ARG 995 1HG ARG 995 -11.759 -5.243 6.321 282 2HG ARG 995 2HG ARG 995 -12.059 -3.957 7.494 283 1HD ARG 995 1HD ARG 995 -13.544 -6.577 7.327 284 2HD ARG 995 2HD ARG 995 -12.295 -6.174 8.505 285 HE ARG 995 HE ARG 995 -14.369 -4.258 8.589 286 1HH1 ARG 995 1HH1 ARG 995 -13.659 -7.551 9.480 287 2HH1 ARG 995 2HH1 ARG 995 -14.784 -7.573 10.797 288 1HH2 ARG 995 1HH2 ARG 995 -15.851 -4.278 10.320 289 2HH2 ARG 995 2HH2 ARG 995 -16.030 -5.712 11.274 290 H LEU 996 H LEU 996 -10.581 -3.084 5.576 291 HA LEU 996 HA LEU 996 -9.759 -3.766 2.876 292 1HB LEU 996 2HB LEU 996 -8.631 -2.023 4.320 293 2HB LEU 996 1HB LEU 996 -8.000 -3.335 5.289 294 HG LEU 996 HG LEU 996 -7.115 -4.153 2.938 295 1HD1 LEU 996 1HD1 LEU 996 -7.345 -1.172 2.598 296 2HD1 LEU 996 2HD1 LEU 996 -8.171 -2.402 1.642 297 3HD1 LEU 996 3HD1 LEU 996 -6.415 -2.250 1.557 298 1HD2 LEU 996 1HD2 LEU 996 -5.739 -3.664 4.892 299 2HD2 LEU 996 2HD2 LEU 996 -5.829 -1.942 4.526 300 3HD2 LEU 996 3HD2 LEU 996 -5.001 -3.038 3.418 301 H ILE 997 H ILE 997 -9.537 -5.820 2.250 302 HA ILE 997 HA ILE 997 -9.145 -7.982 4.100 303 HB ILE 997 HB ILE 997 -8.872 -7.932 1.088 304 1HG1 ILE 997 1HG1 ILE 997 -11.062 -9.277 1.319 305 2HG1 ILE 997 2HG1 ILE 997 -11.132 -8.629 2.954 306 1HG2 ILE 997 1HG2 ILE 997 -8.984 -10.375 1.221 307 2HG2 ILE 997 2HG2 ILE 997 -8.975 -10.277 2.982 308 3HG2 ILE 997 3HG2 ILE 997 -7.569 -9.743 2.062 309 1HD1 ILE 997 1HD1 ILE 997 -11.065 -7.008 0.424 310 2HD1 ILE 997 2HD1 ILE 997 -11.149 -6.365 2.064 311 3HD1 ILE 997 3HD1 ILE 997 -12.483 -7.324 1.422 312 H GLY 998 H GLY 998 -7.278 -7.245 5.229 313 1HA GLY 998 2HA GLY 998 -4.796 -8.167 4.500 314 2HA GLY 998 1HA GLY 998 -4.883 -6.546 3.830 315 H HIS 999 H HIS 999 -4.490 -4.847 5.122 316 HA HIS 999 HA HIS 999 -4.402 -5.290 8.017 317 1HB HIS 999 2HB HIS 999 -2.171 -4.726 6.224 318 2HB HIS 999 1HB HIS 999 -2.294 -3.572 7.543 319 HD1 HIS 999 1HD HIS 999 -1.570 -4.351 9.838 320 HD2 HIS 999 2HD HIS 999 -1.767 -7.438 7.063 321 HE1 HIS 999 1HE HIS 999 -0.524 -6.339 10.968 322 HE2 HIS 999 2HE HIS 999 -0.738 -8.218 9.304 323 H SER1000 H SER1000 -3.172 -2.465 6.354 324 HA SER1000 HA SER1000 -5.427 -0.842 6.317 325 1HB SER1000 1HB SER1000 -5.528 -1.175 8.744 326 2HB SER1000 2HB SER1000 -3.865 -0.611 8.903 327 HG SER1000 HG SER1000 -5.454 1.146 7.549 328 H SER1001 H SER1001 -1.981 -1.086 6.907 329 HA SER1001 HA SER1001 -1.476 1.163 5.138 330 1HB SER1001 2HB SER1001 -1.707 2.271 7.299 331 2HB SER1001 1HB SER1001 -0.550 1.153 8.020 332 HG SER1001 HG SER1001 0.014 3.430 6.950 333 H ALA1002 H ALA1002 0.804 1.374 4.573 334 HA ALA1002 HA ALA1002 2.203 -1.211 4.818 335 1HB ALA1002 1HB ALA1002 2.214 0.629 2.428 336 2HB ALA1002 2HB ALA1002 1.239 -0.833 2.578 337 3HB ALA1002 3HB ALA1002 2.999 -0.947 2.551 338 H GLU1003 H GLU1003 4.554 -1.106 4.477 339 HA GLU1003 HA GLU1003 5.747 1.517 5.030 340 1HB GLU1003 2HB GLU1003 5.605 0.313 7.169 341 2HB GLU1003 1HB GLU1003 6.470 -1.046 6.464 342 1HG GLU1003 1HG GLU1003 8.427 0.387 6.123 343 2HG GLU1003 2HG GLU1003 7.558 1.733 6.859 344 H CYS1004 H CYS1004 7.321 1.975 3.642 345 HA CYS1004 HA CYS1004 7.979 0.252 1.532 346 1HB CYS1004 1HB CYS1004 8.109 2.743 1.456 347 2HB CYS1004 2HB CYS1004 9.547 2.663 2.467 348 H ILE1005 H ILE1005 9.009 -1.620 1.838 349 HA ILE1005 HA ILE1005 11.524 -1.573 3.375 350 HB ILE1005 HB ILE1005 11.103 -3.896 4.057 351 1HG1 ILE1005 2HG1 ILE1005 8.335 -3.489 2.902 352 2HG1 ILE1005 1HG1 ILE1005 9.593 -4.463 2.149 353 1HG2 ILE1005 1HG2 ILE1005 10.501 -2.089 5.563 354 2HG2 ILE1005 2HG2 ILE1005 9.358 -3.422 5.715 355 3HG2 ILE1005 3HG2 ILE1005 8.908 -1.974 4.816 356 1HD1 ILE1005 1HD1 ILE1005 8.346 -4.974 4.838 357 2HD1 ILE1005 2HD1 ILE1005 9.597 -5.955 4.074 358 3HD1 ILE1005 3HD1 ILE1005 7.994 -5.843 3.345 359 H LEU1006 H LEU1006 13.246 -2.724 2.552 360 HA LEU1006 HA LEU1006 13.164 -3.362 -0.252 361 1HB LEU1006 1HB LEU1006 15.326 -3.541 1.837 362 2HB LEU1006 2HB LEU1006 15.568 -4.056 0.179 363 HG LEU1006 HG LEU1006 14.720 -1.257 0.912 364 1HD1 LEU1006 1HD2 LEU1006 17.504 -2.306 0.418 365 2HD1 LEU1006 2HD2 LEU1006 16.871 -1.721 1.957 366 3HD1 LEU1006 3HD2 LEU1006 17.057 -0.610 0.600 367 1HD2 LEU1006 1HD1 LEU1006 15.918 -2.435 -1.591 368 2HD2 LEU1006 2HD1 LEU1006 15.528 -0.735 -1.333 369 3HD2 LEU1006 3HD1 LEU1006 14.239 -1.937 -1.375 370 H SER1007 H SER1007 12.764 -5.279 -1.136 371 HA SER1007 HA SER1007 12.920 -7.669 0.582 372 1HB SER1007 2HB SER1007 11.010 -7.131 -1.706 373 2HB SER1007 1HB SER1007 11.096 -8.629 -0.780 374 HG SER1007 HG SER1007 9.458 -7.087 -0.088 375 H GLY1008 H GLY1008 14.876 -6.347 -1.324 376 1HA GLY1008 2HA GLY1008 16.398 -8.337 -2.197 377 2HA GLY1008 1HA GLY1008 15.134 -8.365 -3.417 378 H ASN1009 H ASN1009 15.438 -7.157 -5.166 379 HA ASN1009 HA ASN1009 17.586 -5.171 -5.135 380 1HB ASN1009 1HB ASN1009 16.077 -6.423 -7.439 381 2HB ASN1009 2HB ASN1009 17.378 -5.249 -7.610 382 1HD2 ASN1009 1HD2 ASN1009 18.670 -6.662 -8.757 383 2HD2 ASN1009 2HD2 ASN1009 19.458 -8.009 -8.017 384 H THR1010 H THR1010 14.363 -5.207 -4.592 385 HA THR1010 HA THR1010 14.114 -2.378 -5.200 386 HB THR1010 HB THR1010 12.111 -4.371 -6.283 387 HG1 THR1010 1HG THR1010 13.230 -4.242 -8.068 388 1HG2 THR1010 1HG2 THR1010 12.194 -1.357 -6.464 389 2HG2 THR1010 2HG2 THR1010 11.050 -2.308 -5.517 390 3HG2 THR1010 3HG2 THR1010 11.030 -2.403 -7.277 391 H ALA1011 H ALA1011 12.863 -1.317 -3.750 392 HA ALA1011 HA ALA1011 11.915 -2.787 -1.460 393 1HB ALA1011 1HB ALA1011 13.068 -0.640 -1.198 394 2HB ALA1011 2HB ALA1011 11.451 -0.601 -0.498 395 3HB ALA1011 3HB ALA1011 11.756 0.166 -2.056 396 H HIS1012 H HIS1012 9.921 -3.510 -1.148 397 HA HIS1012 HA HIS1012 7.720 -2.288 -2.682 398 1HB HIS1012 1HB HIS1012 8.020 -5.160 -1.776 399 2HB HIS1012 2HB HIS1012 6.578 -4.494 -2.536 400 HD1 HIS1012 1HD HIS1012 6.611 -4.182 -5.064 401 HD2 HIS1012 2HD HIS1012 10.235 -5.495 -3.515 402 HE1 HIS1012 1HE HIS1012 7.988 -4.858 -7.056 403 HE2 HIS1012 2HE HIS1012 10.140 -5.739 -6.088 404 H TRP1013 H TRP1013 5.545 -2.665 -1.590 405 HA TRP1013 HA TRP1013 5.790 -1.701 1.135 406 1HB TRP1013 2HB TRP1013 3.343 -2.043 -0.614 407 2HB TRP1013 1HB TRP1013 3.381 -1.233 0.950 408 HD1 TRP1013 HD TRP1013 4.125 -0.679 -2.713 409 HE1 TRP1013 1HE TRP1013 4.806 1.775 -3.084 410 HE3 TRP1013 3HE TRP1013 4.617 0.775 2.165 411 HZ2 TRP1013 2HZ TRP1013 5.463 4.029 -1.517 412 HZ3 TRP1013 3HZ TRP1013 5.275 3.097 2.642 413 HH2 TRP1013 HH TRP1013 5.690 4.690 0.837 414 H SER1014 H SER1014 4.981 -2.694 2.953 415 HA SER1014 HA SER1014 4.940 -5.583 2.729 416 1HB SER1014 1HB SER1014 5.181 -5.547 5.186 417 2HB SER1014 2HB SER1014 6.400 -4.547 4.396 418 HG SER1014 HG SER1014 5.025 -3.727 6.308 419 H THR1015 H THR1015 2.609 -4.485 1.698 420 HA THR1015 HA THR1015 0.635 -5.363 3.705 421 HB THR1015 HB THR1015 -1.036 -4.095 2.229 422 HG1 THR1015 1HG THR1015 1.078 -3.715 0.760 423 1HG2 THR1015 1HG2 THR1015 -0.578 -1.973 3.368 424 2HG2 THR1015 2HG2 THR1015 1.038 -2.543 3.781 425 3HG2 THR1015 3HG2 THR1015 -0.380 -3.343 4.460 426 H LYS1016 H LYS1016 -0.501 -7.131 3.261 427 HA LYS1016 HA LYS1016 -0.273 -8.668 0.922 428 1HB LYS1016 2HB LYS1016 -2.556 -8.587 2.906 429 2HB LYS1016 1HB LYS1016 -2.224 -9.885 1.768 430 1HG LYS1016 2HG LYS1016 -0.333 -10.588 2.930 431 2HG LYS1016 1HG LYS1016 -0.190 -9.061 3.804 432 1HD LYS1016 1HD LYS1016 -2.219 -9.568 5.051 433 2HD LYS1016 2HD LYS1016 -2.405 -11.079 4.158 434 1HE LYS1016 1HE LYS1016 -0.286 -11.883 5.069 435 2HE LYS1016 2HE LYS1016 -0.086 -10.370 5.951 436 1HZ LYS1016 1HZ LYS1016 -2.284 -12.328 6.351 437 2HZ LYS1016 2HZ LYS1016 -2.096 -10.874 7.196 438 3HZ LYS1016 3HZ LYS1016 -0.955 -12.110 7.376 439 HA PRO1017 HA PRO1017 -2.777 -6.912 -2.225 440 1HB PRO1017 2HB PRO1017 -4.649 -8.976 -2.624 441 2HB PRO1017 1HB PRO1017 -3.110 -8.776 -3.464 442 1HG PRO1017 2HG PRO1017 -3.792 -10.508 -1.140 443 2HG PRO1017 1HG PRO1017 -2.657 -10.801 -2.471 444 1HD PRO1017 2HD PRO1017 -1.788 -10.145 -0.029 445 2HD PRO1017 1HD PRO1017 -0.981 -9.527 -1.487 446 HA PRO1018 HA PRO1018 -6.037 -5.523 0.609 447 1HB PRO1018 2HB PRO1018 -6.072 -2.953 -0.167 448 2HB PRO1018 1HB PRO1018 -4.783 -3.599 0.856 449 1HG PRO1018 2HG PRO1018 -4.784 -3.062 -2.088 450 2HG PRO1018 1HG PRO1018 -3.511 -2.751 -0.894 451 1HD PRO1018 1HD PRO1018 -3.549 -4.921 -2.578 452 2HD PRO1018 2HD PRO1018 -2.715 -4.892 -1.012 453 H ILE1019 H ILE1019 -8.203 -5.407 0.339 454 HA ILE1019 HA ILE1019 -9.298 -4.795 -2.310 455 HB ILE1019 HB ILE1019 -10.230 -7.236 -0.810 456 1HG1 ILE1019 2HG1 ILE1019 -8.263 -7.174 -3.112 457 2HG1 ILE1019 1HG1 ILE1019 -7.834 -7.503 -1.436 458 1HG2 ILE1019 1HG2 ILE1019 -11.798 -6.290 -2.402 459 2HG2 ILE1019 2HG2 ILE1019 -11.189 -7.838 -2.988 460 3HG2 ILE1019 3HG2 ILE1019 -10.569 -6.332 -3.666 461 1HD1 ILE1019 1HD1 ILE1019 -9.231 -9.497 -1.466 462 2HD1 ILE1019 2HD1 ILE1019 -7.999 -9.549 -2.726 463 3HD1 ILE1019 3HD1 ILE1019 -9.670 -9.167 -3.141 464 H CYS1020 H CYS1020 -11.719 -4.608 -2.227 465 HA CYS1020 HA CYS1020 -12.560 -3.449 0.334 466 1HB CYS1020 1HB CYS1020 -13.740 -3.177 -2.439 467 2HB CYS1020 2HB CYS1020 -14.404 -2.426 -0.991 468 H GLN1021 H GLN1021 -13.424 -4.974 1.603 469 HA GLN1021 HA GLN1021 -14.622 -7.348 0.664 470 1HB GLN1021 1HB GLN1021 -13.562 -7.135 2.880 471 2HB GLN1021 2HB GLN1021 -14.851 -6.053 3.388 472 1HG GLN1021 1HG GLN1021 -16.476 -7.855 3.104 473 2HG GLN1021 2HG GLN1021 -15.180 -8.939 2.600 474 1HE2 GLN1021 1HE2 GLN1021 -17.028 -9.127 4.859 475 2HE2 GLN1021 2HE2 GLN1021 -16.039 -9.235 6.272 476 H ARG1022 H ARG1022 -15.848 -4.186 1.086 477 HA ARG1022 HA ARG1022 -17.897 -3.246 0.832 478 1HB ARG1022 2HB ARG1022 -18.032 -4.593 -1.209 479 2HB ARG1022 1HB ARG1022 -18.652 -5.953 -0.282 480 1HG ARG1022 2HG ARG1022 -20.658 -4.718 0.259 481 2HG ARG1022 1HG ARG1022 -20.028 -3.289 -0.564 482 1HD ARG1022 1HD ARG1022 -21.625 -4.473 -1.969 483 2HD ARG1022 2HD ARG1022 -20.011 -4.507 -2.678 484 HE ARG1022 HE ARG1022 -20.334 -6.823 -1.154 485 1HH1 ARG1022 1HH1 ARG1022 -21.641 -5.358 -4.032 486 2HH1 ARG1022 2HH1 ARG1022 -22.024 -6.870 -4.783 487 1HH2 ARG1022 1HH2 ARG1022 -20.834 -8.819 -2.136 488 2HH2 ARG1022 2HH2 ARG1022 -21.565 -8.838 -3.705 489 H ILE1023 H ILE1023 -18.923 -2.740 2.630 490 HA ILE1023 HA ILE1023 -19.861 -4.877 4.407 491 HB ILE1023 HB ILE1023 -19.604 -1.917 4.957 492 1HG1 ILE1023 2HG1 ILE1023 -17.857 -4.207 5.890 493 2HG1 ILE1023 1HG1 ILE1023 -17.435 -3.095 4.591 494 1HG2 ILE1023 1HG2 ILE1023 -19.930 -2.549 7.303 495 2HG2 ILE1023 2HG2 ILE1023 -20.187 -4.223 6.811 496 3HG2 ILE1023 3HG2 ILE1023 -21.327 -2.973 6.312 497 1HD1 ILE1023 1HD1 ILE1023 -17.898 -2.342 7.466 498 2HD1 ILE1023 2HD1 ILE1023 -17.458 -1.237 6.164 499 3HD1 ILE1023 3HD1 ILE1023 -16.333 -2.497 6.670 500 HA PRO1024 HA PRO1024 -23.965 -3.988 2.797 501 1HB PRO1024 1HB PRO1024 -25.266 -5.848 4.292 502 2HB PRO1024 2HB PRO1024 -24.352 -6.252 2.835 503 1HG PRO1024 2HG PRO1024 -23.535 -6.472 5.708 504 2HG PRO1024 1HG PRO1024 -23.286 -7.625 4.383 505 1HD PRO1024 1HD PRO1024 -21.334 -5.964 5.241 506 2HD PRO1024 2HD PRO1024 -21.478 -6.464 3.544 Start of MODEL 12 1 1H GLU 957 1HT GLU 957 23.364 12.757 -0.843 2 2H GLU 957 2HT GLU 957 23.960 12.247 0.657 3 3H GLU 957 3HT GLU 957 23.399 13.832 0.464 4 HA GLU 957 HA GLU 957 21.798 12.489 1.657 5 1HB GLU 957 1HB GLU 957 20.920 13.226 -1.144 6 2HB GLU 957 2HB GLU 957 19.849 12.969 0.226 7 1HG GLU 957 1HG GLU 957 21.937 15.124 -0.001 8 2HG GLU 957 2HG GLU 957 20.198 15.335 -0.204 9 H ALA 958 H ALA 958 21.828 11.425 -1.749 10 HA ALA 958 HA ALA 958 21.547 9.387 -2.718 11 1HB ALA 958 1HB ALA 958 23.506 8.787 -1.376 12 2HB ALA 958 2HB ALA 958 22.401 7.425 -1.561 13 3HB ALA 958 3HB ALA 958 22.448 8.322 -0.043 14 H GLU 959 H GLU 959 19.478 9.014 -3.187 15 HA GLU 959 HA GLU 959 17.396 8.831 -1.290 16 1HB GLU 959 2HB GLU 959 16.014 8.067 -3.185 17 2HB GLU 959 1HB GLU 959 16.957 9.496 -3.585 18 1HG GLU 959 2HG GLU 959 18.583 8.095 -4.754 19 2HG GLU 959 1HG GLU 959 17.630 6.665 -4.358 20 H ALA 960 H ALA 960 19.772 6.621 -2.173 21 HA ALA 960 HA ALA 960 20.186 4.461 -1.610 22 1HB ALA 960 1HB ALA 960 19.465 5.171 0.620 23 2HB ALA 960 2HB ALA 960 19.018 3.496 0.292 24 3HB ALA 960 3HB ALA 960 17.798 4.767 0.207 25 H LYS 961 H LYS 961 16.685 4.202 -1.162 26 HA LYS 961 HA LYS 961 16.380 2.830 -3.705 27 1HB LYS 961 2HB LYS 961 17.149 1.067 -2.163 28 2HB LYS 961 1HB LYS 961 15.819 1.441 -1.078 29 1HG LYS 961 1HG LYS 961 15.272 -0.514 -2.348 30 2HG LYS 961 2HG LYS 961 14.233 0.815 -2.868 31 1HD LYS 961 2HD LYS 961 15.680 1.190 -4.805 32 2HD LYS 961 1HD LYS 961 16.725 -0.134 -4.283 33 1HE LYS 961 2HE LYS 961 14.849 -1.694 -4.511 34 2HE LYS 961 1HE LYS 961 13.816 -0.369 -5.047 35 1HZ LYS 961 1HZ LYS 961 14.661 -1.643 -6.914 36 2HZ LYS 961 2HZ LYS 961 16.254 -1.330 -6.443 37 3HZ LYS 961 3HZ LYS 961 15.261 -0.062 -6.958 38 H SER 962 H SER 962 14.198 2.552 -4.342 39 HA SER 962 HA SER 962 12.181 3.831 -2.636 40 1HB SER 962 1HB SER 962 11.270 5.032 -4.594 41 2HB SER 962 2HB SER 962 12.921 5.534 -4.231 42 HG SER 962 HG SER 962 13.570 4.742 -6.073 43 H CYS 963 H CYS 963 10.304 2.754 -2.544 44 HA CYS 963 HA CYS 963 10.065 0.244 -3.906 45 1HB CYS 963 2HB CYS 963 8.251 1.737 -2.014 46 2HB CYS 963 1HB CYS 963 7.813 0.186 -2.723 47 H LYS 964 H LYS 964 8.542 -0.383 -5.422 48 HA LYS 964 HA LYS 964 6.852 1.689 -6.615 49 1HB LYS 964 2HB LYS 964 8.760 -0.061 -8.180 50 2HB LYS 964 1HB LYS 964 7.544 0.993 -8.889 51 1HG LYS 964 2HG LYS 964 8.662 2.938 -7.928 52 2HG LYS 964 1HG LYS 964 9.880 1.883 -7.209 53 1HD LYS 964 1HD LYS 964 10.550 1.133 -9.440 54 2HD LYS 964 2HD LYS 964 9.331 2.188 -10.160 55 1HE LYS 964 2HE LYS 964 11.681 3.079 -8.491 56 2HE LYS 964 1HE LYS 964 11.557 3.198 -10.246 57 1HZ LYS 964 1HZ LYS 964 11.027 5.297 -9.193 58 2HZ LYS 964 2HZ LYS 964 9.795 4.570 -8.289 59 3HZ LYS 964 3HZ LYS 964 9.659 4.674 -9.972 60 H THR 965 H THR 965 4.919 0.794 -6.136 61 HA THR 965 HA THR 965 4.220 -1.789 -7.203 62 HB THR 965 HB THR 965 4.282 -1.415 -4.206 63 HG1 THR 965 1HG THR 965 6.308 -1.996 -4.817 64 1HG2 THR 965 1HG2 THR 965 3.489 -3.741 -4.118 65 2HG2 THR 965 2HG2 THR 965 3.352 -3.757 -5.875 66 3HG2 THR 965 3HG2 THR 965 2.323 -2.690 -4.920 67 HA PRO 966 HA PRO 966 0.496 -0.027 -4.522 68 1HB PRO 966 1HB PRO 966 1.276 2.852 -4.682 69 2HB PRO 966 2HB PRO 966 0.436 1.984 -3.392 70 1HG PRO 966 1HG PRO 966 3.009 2.607 -3.144 71 2HG PRO 966 2HG PRO 966 2.398 1.043 -2.573 72 1HD PRO 966 2HD PRO 966 3.998 1.680 -5.007 73 2HD PRO 966 1HD PRO 966 4.033 0.235 -3.980 74 HA PRO 967 HA PRO 967 -1.018 1.214 -8.629 75 1HB PRO 967 1HB PRO 967 -2.794 -0.743 -8.940 76 2HB PRO 967 2HB PRO 967 -1.064 -1.059 -9.126 77 1HG PRO 967 1HG PRO 967 -2.878 -1.693 -6.843 78 2HG PRO 967 2HG PRO 967 -1.527 -2.634 -7.497 79 1HD PRO 967 1HD PRO 967 -1.440 -0.957 -5.250 80 2HD PRO 967 2HD PRO 967 -0.040 -1.609 -6.123 81 H ASP 968 H ASP 968 -3.639 0.990 -9.234 82 HA ASP 968 HA ASP 968 -5.010 2.522 -7.149 83 1HB ASP 968 1HB ASP 968 -5.065 3.486 -9.386 84 2HB ASP 968 2HB ASP 968 -5.750 2.000 -10.037 85 HA PRO 969 HA PRO 969 -6.635 -1.534 -6.011 86 1HB PRO 969 2HB PRO 969 -8.135 -0.562 -3.905 87 2HB PRO 969 1HB PRO 969 -6.433 -1.023 -3.800 88 1HG PRO 969 2HG PRO 969 -7.648 1.690 -4.138 89 2HG PRO 969 1HG PRO 969 -6.271 1.194 -3.135 90 1HD PRO 969 2HD PRO 969 -5.911 2.442 -5.477 91 2HD PRO 969 1HD PRO 969 -4.812 1.155 -4.940 92 H VAL 970 H VAL 970 -8.442 -2.573 -6.622 93 HA VAL 970 HA VAL 970 -10.412 -1.347 -8.172 94 HB VAL 970 HB VAL 970 -9.939 -3.740 -8.322 95 1HG1 VAL 970 1HG1 VAL 970 -10.783 -5.293 -6.615 96 2HG1 VAL 970 2HG1 VAL 970 -11.235 -3.919 -5.605 97 3HG1 VAL 970 3HG1 VAL 970 -9.538 -4.220 -5.978 98 1HG2 VAL 970 1HG2 VAL 970 -12.091 -2.934 -9.125 99 2HG2 VAL 970 2HG2 VAL 970 -12.790 -3.166 -7.523 100 3HG2 VAL 970 3HG2 VAL 970 -12.243 -4.558 -8.457 101 H ASN 971 H ASN 971 -12.323 -0.407 -7.740 102 HA ASN 971 HA ASN 971 -13.906 0.705 -6.539 103 1HB ASN 971 1HB ASN 971 -13.776 -1.812 -4.863 104 2HB ASN 971 2HB ASN 971 -15.074 -0.623 -4.808 105 1HD2 ASN 971 1HD2 ASN 971 -15.147 -3.458 -5.485 106 2HD2 ASN 971 2HD2 ASN 971 -15.828 -3.552 -7.070 107 H GLY 972 H GLY 972 -11.726 1.933 -5.992 108 1HA GLY 972 2HA GLY 972 -11.956 3.086 -3.504 109 2HA GLY 972 1HA GLY 972 -10.815 1.768 -3.287 110 H MET 973 H MET 973 -9.203 3.325 -2.755 111 HA MET 973 HA MET 973 -7.681 4.200 -5.014 112 1HB MET 973 1HB MET 973 -7.670 6.603 -4.426 113 2HB MET 973 2HB MET 973 -9.249 6.046 -4.962 114 1HG MET 973 2HG MET 973 -10.012 5.932 -2.659 115 2HG MET 973 1HG MET 973 -8.420 6.441 -2.096 116 1HE MET 973 1HE MET 973 -7.635 8.627 -4.273 117 2HE MET 973 2HE MET 973 -7.391 8.845 -2.541 118 3HE MET 973 3HE MET 973 -8.203 10.097 -3.482 119 H VAL 974 H VAL 974 -5.550 4.523 -4.504 120 HA VAL 974 HA VAL 974 -4.750 3.873 -1.786 121 HB VAL 974 HB VAL 974 -3.593 2.773 -3.644 122 1HG1 VAL 974 1HG1 VAL 974 -3.765 4.541 -5.308 123 2HG1 VAL 974 2HG1 VAL 974 -2.086 4.041 -5.104 124 3HG1 VAL 974 3HG1 VAL 974 -2.652 5.544 -4.376 125 1HG2 VAL 974 1HG2 VAL 974 -2.392 3.089 -1.555 126 2HG2 VAL 974 2HG2 VAL 974 -1.824 4.667 -2.100 127 3HG2 VAL 974 3HG2 VAL 974 -1.288 3.203 -2.926 128 H HIS 975 H HIS 975 -3.452 5.183 -0.476 129 HA HIS 975 HA HIS 975 -3.625 8.045 -1.144 130 1HB HIS 975 1HB HIS 975 -3.611 6.661 1.545 131 2HB HIS 975 2HB HIS 975 -3.553 8.408 1.331 132 HD1 HIS 975 1HD HIS 975 -5.734 9.602 0.926 133 HD2 HIS 975 2HD HIS 975 -6.099 5.466 0.746 134 HE1 HIS 975 1HE HIS 975 -8.206 9.148 0.831 135 HE2 HIS 975 2HE HIS 975 -8.404 6.637 0.822 136 H VAL 976 H VAL 976 -1.691 8.539 -2.030 137 HA VAL 976 HA VAL 976 0.797 7.689 -0.826 138 HB VAL 976 HB VAL 976 0.282 9.723 -3.004 139 1HG1 VAL 976 1HG2 VAL 976 2.856 8.440 -2.093 140 2HG1 VAL 976 2HG2 VAL 976 2.402 10.132 -1.886 141 3HG1 VAL 976 3HG2 VAL 976 2.675 9.483 -3.504 142 1HG2 VAL 976 1HG1 VAL 976 1.031 7.958 -4.531 143 2HG2 VAL 976 2HG1 VAL 976 -0.419 7.482 -3.648 144 3HG2 VAL 976 3HG1 VAL 976 1.153 6.840 -3.174 145 H ILE 977 H ILE 977 1.421 8.561 1.035 146 HA ILE 977 HA ILE 977 0.369 10.899 2.157 147 HB ILE 977 HB ILE 977 2.998 9.564 2.818 148 1HG1 ILE 977 2HG1 ILE 977 1.106 8.009 2.963 149 2HG1 ILE 977 1HG1 ILE 977 1.726 8.392 4.566 150 1HG2 ILE 977 1HG2 ILE 977 1.288 11.450 4.435 151 2HG2 ILE 977 2HG2 ILE 977 2.863 11.811 3.727 152 3HG2 ILE 977 3HG2 ILE 977 2.729 10.617 5.018 153 1HD1 ILE 977 1HD1 ILE 977 -0.113 9.958 4.906 154 2HD1 ILE 977 2HD1 ILE 977 -0.698 8.332 4.549 155 3HD1 ILE 977 3HD1 ILE 977 -0.733 9.576 3.300 156 H THR 978 H THR 978 3.637 10.374 0.817 157 HA THR 978 HA THR 978 3.672 13.043 -0.284 158 HB THR 978 HB THR 978 5.692 12.324 1.851 159 HG1 THR 978 1HG THR 978 4.630 14.162 2.922 160 1HG2 THR 978 1HG2 THR 978 6.448 14.647 1.567 161 2HG2 THR 978 2HG2 THR 978 5.298 14.854 0.246 162 3HG2 THR 978 3HG2 THR 978 6.635 13.714 0.082 163 H ASP 979 H ASP 979 5.287 9.997 0.361 164 HA ASP 979 HA ASP 979 6.457 10.061 -2.297 165 1HB ASP 979 1HB ASP 979 8.126 9.671 0.200 166 2HB ASP 979 2HB ASP 979 8.692 9.395 -1.445 167 H ILE 980 H ILE 980 8.021 7.829 -2.160 168 HA ILE 980 HA ILE 980 6.421 5.690 -0.993 169 HB ILE 980 HB ILE 980 6.657 4.503 -3.317 170 1HG1 ILE 980 2HG1 ILE 980 6.542 7.420 -4.119 171 2HG1 ILE 980 1HG1 ILE 980 7.933 6.363 -4.344 172 1HG2 ILE 980 1HG2 ILE 980 4.549 4.939 -2.189 173 2HG2 ILE 980 2HG2 ILE 980 4.405 5.274 -3.915 174 3HG2 ILE 980 3HG2 ILE 980 4.565 6.604 -2.768 175 1HD1 ILE 980 1HD1 ILE 980 6.690 6.629 -6.407 176 2HD1 ILE 980 2HD1 ILE 980 5.233 6.018 -5.624 177 3HD1 ILE 980 3HD1 ILE 980 6.625 4.958 -5.847 178 H GLN 981 H GLN 981 8.991 6.650 -0.345 179 HA GLN 981 HA GLN 981 10.756 4.518 -1.347 180 1HB GLN 981 2HB GLN 981 11.540 7.083 0.049 181 2HB GLN 981 1HB GLN 981 12.627 5.916 -0.693 182 1HG GLN 981 2HG GLN 981 11.680 6.424 -2.885 183 2HG GLN 981 1HG GLN 981 10.587 7.592 -2.141 184 1HE2 GLN 981 1HE2 GLN 981 12.613 7.997 -4.183 185 2HE2 GLN 981 2HE2 GLN 981 13.704 9.180 -3.554 186 H VAL 982 H VAL 982 12.622 4.255 0.505 187 HA VAL 982 HA VAL 982 11.422 2.726 2.526 188 HB VAL 982 HB VAL 982 14.210 3.891 2.554 189 1HG1 VAL 982 1HG1 VAL 982 13.043 1.484 3.949 190 2HG1 VAL 982 2HG1 VAL 982 13.527 2.999 4.711 191 3HG1 VAL 982 3HG1 VAL 982 14.741 1.957 3.969 192 1HG2 VAL 982 1HG2 VAL 982 13.216 1.292 1.391 193 2HG2 VAL 982 2HG2 VAL 982 14.905 1.786 1.511 194 3HG2 VAL 982 3HG2 VAL 982 13.794 2.687 0.480 195 H GLY 983 H GLY 983 10.874 3.127 4.615 196 1HA GLY 983 2HA GLY 983 10.739 4.335 6.621 197 2HA GLY 983 1HA GLY 983 11.548 5.684 5.837 198 H SER 984 H SER 984 9.384 5.012 3.614 199 HA SER 984 HA SER 984 7.457 6.934 4.681 200 1HB SER 984 1HB SER 984 7.821 5.858 1.873 201 2HB SER 984 2HB SER 984 6.659 7.100 2.343 202 HG SER 984 HG SER 984 8.203 8.512 2.269 203 H ARG 985 H ARG 985 5.405 6.440 5.185 204 HA ARG 985 HA ARG 985 4.487 3.697 4.624 205 1HB ARG 985 2HB ARG 985 5.055 3.983 6.991 206 2HB ARG 985 1HB ARG 985 3.973 5.365 7.093 207 1HG ARG 985 2HG ARG 985 2.070 3.904 6.596 208 2HG ARG 985 1HG ARG 985 3.164 2.520 6.526 209 1HD ARG 985 1HD ARG 985 2.074 2.618 8.689 210 2HD ARG 985 2HD ARG 985 3.803 2.921 8.860 211 HE ARG 985 HE ARG 985 2.510 5.383 8.599 212 1HH1 ARG 985 1HH1 ARG 985 2.710 2.728 10.849 213 2HH1 ARG 985 2HH1 ARG 985 2.391 3.714 12.237 214 1HH2 ARG 985 1HH2 ARG 985 2.090 6.686 10.422 215 2HH2 ARG 985 2HH2 ARG 985 2.037 5.963 11.995 216 H ILE 986 H ILE 986 3.045 3.931 3.014 217 HA ILE 986 HA ILE 986 1.106 6.103 3.072 218 HB ILE 986 HB ILE 986 0.315 5.218 0.928 219 1HG1 ILE 986 1HG1 ILE 986 2.504 3.147 1.202 220 2HG1 ILE 986 2HG1 ILE 986 0.793 2.815 1.461 221 1HG2 ILE 986 1HG2 ILE 986 3.314 5.498 1.076 222 2HG2 ILE 986 2HG2 ILE 986 2.149 6.816 0.942 223 3HG2 ILE 986 3HG2 ILE 986 2.337 5.665 -0.382 224 1HD1 ILE 986 1HD1 ILE 986 1.507 2.112 -0.747 225 2HD1 ILE 986 2HD1 ILE 986 2.036 3.754 -1.113 226 3HD1 ILE 986 3HD1 ILE 986 0.324 3.417 -0.853 227 H THR 987 H THR 987 -1.213 5.284 2.330 228 HA THR 987 HA THR 987 -1.986 2.978 3.979 229 HB THR 987 HB THR 987 -3.915 4.222 4.877 230 HG1 THR 987 1HG THR 987 -4.229 5.867 3.436 231 1HG2 THR 987 1HG2 THR 987 -2.684 5.619 6.471 232 2HG2 THR 987 2HG2 THR 987 -1.259 5.550 5.435 233 3HG2 THR 987 3HG2 THR 987 -1.863 4.082 6.204 234 H TYR 988 H TYR 988 -3.419 1.673 3.027 235 HA TYR 988 HA TYR 988 -4.642 2.531 0.512 236 1HB TYR 988 2HB TYR 988 -4.468 -0.216 1.769 237 2HB TYR 988 1HB TYR 988 -5.147 0.138 0.185 238 HD1 TYR 988 1HD TYR 988 -3.697 0.735 -1.687 239 HD2 TYR 988 2HD TYR 988 -2.077 -0.224 2.127 240 HE1 TYR 988 1HE TYR 988 -1.476 0.465 -2.706 241 HE2 TYR 988 2HE TYR 988 0.149 -0.496 1.120 242 HH TYR 988 HH TYR 988 1.129 -0.980 -1.079 243 H SER 989 H SER 989 -6.887 2.211 0.096 244 HA SER 989 HA SER 989 -8.633 1.590 2.326 245 1HB SER 989 1HB SER 989 -9.861 3.711 2.215 246 2HB SER 989 2HB SER 989 -8.174 3.989 2.650 247 HG SER 989 HG SER 989 -8.991 4.106 -0.040 248 H CYS 990 H CYS 990 -10.671 0.949 1.709 249 HA CYS 990 HA CYS 990 -11.160 0.813 -1.190 250 1HB CYS 990 2HB CYS 990 -11.002 -1.362 0.001 251 2HB CYS 990 1HB CYS 990 -12.363 -0.884 1.010 252 H THR 991 H THR 991 -13.572 0.795 -1.747 253 HA THR 991 HA THR 991 -14.681 3.258 -1.078 254 HB THR 991 HB THR 991 -16.806 2.240 -2.078 255 HG1 THR 991 1HG THR 991 -15.104 0.168 -2.948 256 1HG2 THR 991 1HG2 THR 991 -15.262 3.608 -3.375 257 2HG2 THR 991 2HG2 THR 991 -15.872 2.272 -4.351 258 3HG2 THR 991 3HG2 THR 991 -14.246 2.198 -3.673 259 H THR 992 H THR 992 -16.723 3.712 -0.016 260 HA THR 992 HA THR 992 -16.828 2.718 2.609 261 HB THR 992 HB THR 992 -18.998 4.196 1.106 262 HG1 THR 992 1HG THR 992 -18.015 6.045 1.968 263 1HG2 THR 992 1HG2 THR 992 -19.744 4.904 3.332 264 2HG2 THR 992 2HG2 THR 992 -18.497 3.900 4.071 265 3HG2 THR 992 3HG2 THR 992 -19.810 3.151 3.164 266 H GLY 993 H GLY 993 -18.013 1.157 3.583 267 1HA GLY 993 1HA GLY 993 -19.796 -0.401 3.756 268 2HA GLY 993 2HA GLY 993 -20.054 -0.257 2.023 269 H HIS 994 H HIS 994 -16.789 -0.506 2.654 270 HA HIS 994 HA HIS 994 -16.827 -3.435 2.343 271 1HB HIS 994 1HB HIS 994 -14.967 -1.514 0.926 272 2HB HIS 994 2HB HIS 994 -14.960 -3.269 0.773 273 HD1 HIS 994 1HD HIS 994 -17.458 -0.447 0.212 274 HD2 HIS 994 2HD HIS 994 -16.330 -4.108 -1.394 275 HE1 HIS 994 1HE HIS 994 -18.894 -0.757 -1.829 276 HE2 HIS 994 2HE HIS 994 -18.261 -3.022 -2.729 277 H ARG 995 H ARG 995 -14.558 -4.360 2.748 278 HA ARG 995 HA ARG 995 -13.122 -2.839 4.806 279 1HB ARG 995 1HB ARG 995 -14.642 -4.390 5.959 280 2HB ARG 995 2HB ARG 995 -13.953 -5.735 5.062 281 1HG ARG 995 2HG ARG 995 -13.044 -5.672 7.294 282 2HG ARG 995 1HG ARG 995 -11.778 -5.311 6.118 283 1HD ARG 995 1HD ARG 995 -11.640 -3.824 8.048 284 2HD ARG 995 2HD ARG 995 -12.018 -2.929 6.577 285 HE ARG 995 HE ARG 995 -14.410 -3.614 7.886 286 1HH1 ARG 995 1HH1 ARG 995 -11.650 -1.518 8.247 287 2HH1 ARG 995 2HH1 ARG 995 -12.515 -0.320 9.150 288 1HH2 ARG 995 1HH2 ARG 995 -15.557 -2.042 9.074 289 2HH2 ARG 995 2HH2 ARG 995 -14.735 -0.618 9.620 290 H LEU 996 H LEU 996 -11.000 -2.803 4.460 291 HA LEU 996 HA LEU 996 -9.875 -4.083 2.197 292 1HB LEU 996 1HB LEU 996 -9.121 -1.898 3.134 293 2HB LEU 996 2HB LEU 996 -8.431 -2.761 4.496 294 HG LEU 996 HG LEU 996 -6.922 -3.958 2.928 295 1HD1 LEU 996 1HD1 LEU 996 -6.683 -3.115 0.644 296 2HD1 LEU 996 2HD1 LEU 996 -8.073 -2.058 0.891 297 3HD1 LEU 996 3HD1 LEU 996 -8.280 -3.809 0.916 298 1HD2 LEU 996 1HD2 LEU 996 -6.786 -0.950 2.813 299 2HD2 LEU 996 2HD2 LEU 996 -5.451 -2.056 2.493 300 3HD2 LEU 996 3HD2 LEU 996 -6.158 -1.970 4.106 301 H ILE 997 H ILE 997 -9.112 -6.077 2.001 302 HA ILE 997 HA ILE 997 -8.664 -7.746 4.315 303 HB ILE 997 HB ILE 997 -8.152 -8.353 1.398 304 1HG1 ILE 997 1HG1 ILE 997 -10.288 -9.777 1.792 305 2HG1 ILE 997 2HG1 ILE 997 -10.559 -8.710 3.166 306 1HG2 ILE 997 1HG2 ILE 997 -6.865 -9.784 2.881 307 2HG2 ILE 997 2HG2 ILE 997 -8.163 -10.699 2.113 308 3HG2 ILE 997 3HG2 ILE 997 -8.324 -10.180 3.791 309 1HD1 ILE 997 1HD1 ILE 997 -11.794 -7.979 1.207 310 2HD1 ILE 997 2HD1 ILE 997 -10.288 -7.841 0.301 311 3HD1 ILE 997 3HD1 ILE 997 -10.587 -6.786 1.682 312 H GLY 998 H GLY 998 -6.956 -6.448 5.261 313 1HA GLY 998 2HA GLY 998 -4.352 -7.358 4.690 314 2HA GLY 998 1HA GLY 998 -4.572 -5.776 3.955 315 H HIS 999 H HIS 999 -3.678 -4.252 5.168 316 HA HIS 999 HA HIS 999 -4.094 -4.336 8.073 317 1HB HIS 999 2HB HIS 999 -1.594 -4.605 6.643 318 2HB HIS 999 1HB HIS 999 -1.572 -3.186 7.681 319 HD1 HIS 999 1HD HIS 999 -1.338 -3.570 10.168 320 HD2 HIS 999 2HD HIS 999 -1.984 -7.079 8.039 321 HE1 HIS 999 1HE HIS 999 -0.963 -5.433 11.814 322 HE2 HIS 999 2HE HIS 999 -1.448 -7.543 10.527 323 H SER1000 H SER1000 -4.685 -2.700 5.356 324 HA SER1000 HA SER1000 -5.242 -0.562 4.826 325 1HB SER1000 2HB SER1000 -6.666 -0.780 6.831 326 2HB SER1000 1HB SER1000 -5.335 -0.195 7.831 327 HG SER1000 HG SER1000 -5.854 1.466 5.743 328 H SER1001 H SER1001 -2.380 -1.340 5.444 329 HA SER1001 HA SER1001 -1.269 1.305 5.162 330 1HB SER1001 2HB SER1001 -0.554 -0.388 7.567 331 2HB SER1001 1HB SER1001 0.306 1.069 7.068 332 HG SER1001 HG SER1001 -1.444 2.284 7.578 333 H ALA1002 H ALA1002 1.333 0.947 5.356 334 HA ALA1002 HA ALA1002 2.328 -1.561 4.478 335 1HB ALA1002 1HB ALA1002 1.135 -0.936 2.427 336 2HB ALA1002 2HB ALA1002 2.879 -1.012 2.177 337 3HB ALA1002 3HB ALA1002 2.079 0.552 2.339 338 H GLU1003 H GLU1003 4.592 -1.590 4.298 339 HA GLU1003 HA GLU1003 5.950 0.945 4.925 340 1HB GLU1003 2HB GLU1003 5.729 -0.394 6.973 341 2HB GLU1003 1HB GLU1003 6.521 -1.746 6.178 342 1HG GLU1003 2HG GLU1003 8.565 -0.446 5.965 343 2HG GLU1003 1HG GLU1003 7.773 0.938 6.717 344 H CYS1004 H CYS1004 7.428 1.422 3.456 345 HA CYS1004 HA CYS1004 8.225 -0.431 1.444 346 1HB CYS1004 1HB CYS1004 8.015 1.939 0.935 347 2HB CYS1004 2HB CYS1004 9.261 2.332 2.115 348 H ILE1005 H ILE1005 9.450 -2.116 2.076 349 HA ILE1005 HA ILE1005 11.968 -1.505 3.483 350 HB ILE1005 HB ILE1005 11.814 -3.710 4.596 351 1HG1 ILE1005 1HG1 ILE1005 8.963 -3.724 3.581 352 2HG1 ILE1005 2HG1 ILE1005 10.254 -4.732 2.936 353 1HG2 ILE1005 1HG2 ILE1005 9.512 -1.842 5.142 354 2HG2 ILE1005 2HG2 ILE1005 11.150 -1.695 5.778 355 3HG2 ILE1005 3HG2 ILE1005 10.136 -3.056 6.258 356 1HD1 ILE1005 1HD1 ILE1005 9.202 -4.811 5.753 357 2HD1 ILE1005 2HD1 ILE1005 10.487 -5.827 5.099 358 3HD1 ILE1005 3HD1 ILE1005 8.844 -5.972 4.474 359 H LEU1006 H LEU1006 13.750 -2.858 3.009 360 HA LEU1006 HA LEU1006 13.628 -4.115 0.373 361 1HB LEU1006 1HB LEU1006 15.880 -3.230 2.156 362 2HB LEU1006 2HB LEU1006 16.167 -4.285 0.785 363 HG LEU1006 HG LEU1006 14.814 -1.609 0.501 364 1HD1 LEU1006 1HD2 LEU1006 16.981 -0.718 -0.198 365 2HD1 LEU1006 2HD2 LEU1006 17.749 -2.246 0.234 366 3HD1 LEU1006 3HD2 LEU1006 17.012 -1.245 1.485 367 1HD2 LEU1006 1HD1 LEU1006 15.512 -1.844 -1.831 368 2HD2 LEU1006 2HD1 LEU1006 14.477 -3.179 -1.326 369 3HD2 LEU1006 3HD1 LEU1006 16.219 -3.416 -1.460 370 H SER1007 H SER1007 14.743 -6.190 0.046 371 HA SER1007 HA SER1007 14.956 -7.912 2.383 372 1HB SER1007 1HB SER1007 13.453 -9.619 1.435 373 2HB SER1007 2HB SER1007 12.593 -8.111 1.744 374 HG SER1007 HG SER1007 13.475 -7.892 -0.689 375 H GLY1008 H GLY1008 15.505 -7.257 -0.984 376 1HA GLY1008 1HA GLY1008 17.823 -9.010 -0.943 377 2HA GLY1008 2HA GLY1008 16.574 -9.436 -2.104 378 H ASN1009 H ASN1009 16.099 -7.970 -3.818 379 HA ASN1009 HA ASN1009 18.170 -5.936 -4.288 380 1HB ASN1009 2HB ASN1009 18.739 -7.969 -5.556 381 2HB ASN1009 1HB ASN1009 17.154 -7.934 -6.322 382 1HD2 ASN1009 2HD2 ASN1009 20.281 -6.435 -6.131 383 2HD2 ASN1009 1HD2 ASN1009 20.146 -5.503 -7.580 384 H THR1010 H THR1010 14.926 -6.708 -4.135 385 HA THR1010 HA THR1010 14.210 -4.236 -5.561 386 HB THR1010 HB THR1010 12.625 -6.812 -5.666 387 HG1 THR1010 1HG THR1010 13.246 -6.132 -8.070 388 1HG2 THR1010 1HG2 THR1010 11.203 -4.820 -5.688 389 2HG2 THR1010 2HG2 THR1010 11.205 -5.611 -7.264 390 3HG2 THR1010 3HG2 THR1010 12.157 -4.147 -7.010 391 H ALA1011 H ALA1011 13.390 -2.862 -4.137 392 HA ALA1011 HA ALA1011 12.481 -3.587 -1.565 393 1HB ALA1011 1HB ALA1011 11.823 -1.254 -1.336 394 2HB ALA1011 2HB ALA1011 12.010 -1.018 -3.074 395 3HB ALA1011 3HB ALA1011 13.418 -1.383 -2.076 396 H HIS1012 H HIS1012 10.542 -4.184 -0.832 397 HA HIS1012 HA HIS1012 8.157 -3.596 -2.425 398 1HB HIS1012 2HB HIS1012 7.317 -5.881 -2.165 399 2HB HIS1012 1HB HIS1012 8.843 -5.875 -3.043 400 HD1 HIS1012 1HD HIS1012 7.212 -7.210 -0.029 401 HD2 HIS1012 2HD HIS1012 11.075 -6.849 -1.517 402 HE1 HIS1012 1HE HIS1012 8.616 -8.768 1.359 403 HE2 HIS1012 2HE HIS1012 10.933 -8.595 0.387 404 H TRP1013 H TRP1013 6.266 -3.379 -1.244 405 HA TRP1013 HA TRP1013 6.587 -2.522 1.436 406 1HB TRP1013 2HB TRP1013 4.027 -3.105 -0.069 407 2HB TRP1013 1HB TRP1013 4.171 -2.149 1.403 408 HD1 TRP1013 HD TRP1013 4.898 -1.984 -2.353 409 HE1 TRP1013 1HE TRP1013 5.281 0.475 -3.005 410 HE3 TRP1013 3HE TRP1013 4.931 0.105 2.313 411 HZ2 TRP1013 2HZ TRP1013 5.560 2.966 -1.719 412 HZ3 TRP1013 3HZ TRP1013 5.263 2.534 2.515 413 HH2 TRP1013 HH TRP1013 5.572 3.935 0.539 414 H SER1014 H SER1014 5.874 -3.422 3.358 415 HA SER1014 HA SER1014 6.244 -6.245 3.456 416 1HB SER1014 1HB SER1014 7.129 -4.782 5.209 417 2HB SER1014 2HB SER1014 5.491 -4.301 5.650 418 HG SER1014 HG SER1014 5.934 -7.020 5.616 419 H THR1015 H THR1015 3.530 -4.413 2.849 420 HA THR1015 HA THR1015 1.716 -6.371 4.087 421 HB THR1015 HB THR1015 -0.067 -4.714 3.770 422 HG1 THR1015 1HG THR1015 1.778 -3.580 2.150 423 1HG2 THR1015 1HG2 THR1015 2.378 -3.578 5.135 424 2HG2 THR1015 2HG2 THR1015 1.207 -4.682 5.858 425 3HG2 THR1015 3HG2 THR1015 0.715 -3.052 5.398 426 H LYS1016 H LYS1016 0.006 -7.269 2.887 427 HA LYS1016 HA LYS1016 0.656 -7.894 0.181 428 1HB LYS1016 1HB LYS1016 -1.465 -9.176 0.229 429 2HB LYS1016 2HB LYS1016 -0.415 -9.547 1.590 430 1HG LYS1016 2HG LYS1016 -2.066 -7.445 2.436 431 2HG LYS1016 1HG LYS1016 -3.110 -8.583 1.584 432 1HD LYS1016 2HD LYS1016 -3.094 -9.273 3.844 433 2HD LYS1016 1HD LYS1016 -2.057 -10.405 2.978 434 1HE LYS1016 2HE LYS1016 -0.995 -7.997 4.434 435 2HE LYS1016 1HE LYS1016 -1.187 -9.573 5.200 436 1HZ LYS1016 1HZ LYS1016 0.270 -10.490 3.438 437 2HZ LYS1016 2HZ LYS1016 1.044 -9.369 4.440 438 3HZ LYS1016 3HZ LYS1016 0.552 -8.914 2.888 439 HA PRO1017 HA PRO1017 -1.452 -4.862 -2.264 440 1HB PRO1017 1HB PRO1017 -2.882 -7.165 -3.514 441 2HB PRO1017 2HB PRO1017 -2.006 -5.836 -4.281 442 1HG PRO1017 1HG PRO1017 -0.918 -8.259 -4.123 443 2HG PRO1017 2HG PRO1017 0.068 -6.803 -3.887 444 1HD PRO1017 2HD PRO1017 -0.963 -8.746 -1.872 445 2HD PRO1017 1HD PRO1017 0.566 -7.843 -1.895 446 HA PRO1018 HA PRO1018 -5.286 -4.290 -0.162 447 1HB PRO1018 2HB PRO1018 -6.340 -2.284 -1.633 448 2HB PRO1018 1HB PRO1018 -4.960 -2.046 -0.554 449 1HG PRO1018 1HG PRO1018 -4.997 -2.447 -3.524 450 2HG PRO1018 2HG PRO1018 -4.055 -1.291 -2.565 451 1HD PRO1018 2HD PRO1018 -3.010 -3.610 -3.504 452 2HD PRO1018 1HD PRO1018 -2.479 -2.868 -1.982 453 H ILE1019 H ILE1019 -7.282 -5.149 -0.213 454 HA ILE1019 HA ILE1019 -8.534 -5.713 -2.809 455 HB ILE1019 HB ILE1019 -8.589 -7.748 -0.593 456 1HG1 ILE1019 2HG1 ILE1019 -6.723 -7.734 -2.977 457 2HG1 ILE1019 1HG1 ILE1019 -6.237 -7.379 -1.323 458 1HG2 ILE1019 1HG2 ILE1019 -9.250 -9.259 -2.409 459 2HG2 ILE1019 2HG2 ILE1019 -9.163 -7.917 -3.549 460 3HG2 ILE1019 3HG2 ILE1019 -10.358 -7.896 -2.252 461 1HD1 ILE1019 1HD1 ILE1019 -5.665 -9.652 -1.945 462 2HD1 ILE1019 2HD1 ILE1019 -7.357 -9.992 -2.306 463 3HD1 ILE1019 3HD1 ILE1019 -6.863 -9.635 -0.651 464 H CYS1020 H CYS1020 -10.863 -6.270 -2.576 465 HA CYS1020 HA CYS1020 -12.054 -5.045 -0.177 466 1HB CYS1020 1HB CYS1020 -13.038 -4.786 -3.028 467 2HB CYS1020 2HB CYS1020 -13.851 -4.142 -1.605 468 H GLN1021 H GLN1021 -13.463 -6.290 0.870 469 HA GLN1021 HA GLN1021 -14.008 -8.920 -0.246 470 1HB GLN1021 2HB GLN1021 -14.710 -9.499 2.043 471 2HB GLN1021 1HB GLN1021 -13.094 -8.808 2.005 472 1HG GLN1021 2HG GLN1021 -13.982 -6.662 2.740 473 2HG GLN1021 1HG GLN1021 -15.610 -7.339 2.761 474 1HE2 GLN1021 1HE2 GLN1021 -16.185 -8.793 4.370 475 2HE2 GLN1021 2HE2 GLN1021 -15.253 -8.987 5.812 476 H ARG1022 H ARG1022 -15.674 -5.974 0.490 477 HA ARG1022 HA ARG1022 -17.843 -5.314 0.301 478 1HB ARG1022 1HB ARG1022 -17.520 -5.955 -2.024 479 2HB ARG1022 2HB ARG1022 -17.907 -7.626 -1.646 480 1HG ARG1022 1HG ARG1022 -19.787 -6.564 -2.712 481 2HG ARG1022 2HG ARG1022 -20.186 -6.945 -1.036 482 1HD ARG1022 1HD ARG1022 -19.720 -4.622 -0.406 483 2HD ARG1022 2HD ARG1022 -19.341 -4.247 -2.086 484 HE ARG1022 HE ARG1022 -21.883 -5.316 -2.095 485 1HH1 ARG1022 1HH1 ARG1022 -20.286 -2.570 -0.665 486 2HH1 ARG1022 2HH1 ARG1022 -21.708 -1.582 -0.658 487 1HH2 ARG1022 1HH2 ARG1022 -23.761 -4.023 -2.091 488 2HH2 ARG1022 2HH2 ARG1022 -23.684 -2.408 -1.469 489 H ILE1023 H ILE1023 -18.417 -5.814 2.442 490 HA ILE1023 HA ILE1023 -19.322 -8.367 3.263 491 HB ILE1023 HB ILE1023 -20.259 -7.105 5.212 492 1HG1 ILE1023 1HG1 ILE1023 -18.999 -4.733 3.827 493 2HG1 ILE1023 2HG1 ILE1023 -20.731 -5.001 3.996 494 1HG2 ILE1023 1HG2 ILE1023 -17.385 -6.567 4.494 495 2HG2 ILE1023 2HG2 ILE1023 -18.014 -8.027 5.257 496 3HG2 ILE1023 3HG2 ILE1023 -18.067 -6.489 6.119 497 1HD1 ILE1023 1HD1 ILE1023 -18.788 -4.592 6.255 498 2HD1 ILE1023 2HD1 ILE1023 -20.525 -4.849 6.416 499 3HD1 ILE1023 3HD1 ILE1023 -19.918 -3.396 5.623 500 HA PRO1024 HA PRO1024 -23.450 -8.350 1.666 501 1HB PRO1024 2HB PRO1024 -24.645 -10.022 3.442 502 2HB PRO1024 1HB PRO1024 -23.538 -10.585 2.186 503 1HG PRO1024 1HG PRO1024 -23.007 -10.064 5.086 504 2HG PRO1024 2HG PRO1024 -22.470 -11.420 4.078 505 1HD PRO1024 2HD PRO1024 -20.858 -9.333 4.685 506 2HD PRO1024 1HD PRO1024 -20.747 -10.205 3.143 Start of MODEL 13 1 1H GLU 957 1HT GLU 957 21.241 6.938 -11.580 2 2H GLU 957 2HT GLU 957 22.468 8.002 -12.047 3 3H GLU 957 3HT GLU 957 22.349 7.507 -10.434 4 HA GLU 957 HA GLU 957 22.970 5.753 -12.738 5 1HB GLU 957 1HB GLU 957 24.803 7.297 -12.162 6 2HB GLU 957 2HB GLU 957 24.739 6.747 -10.493 7 1HG GLU 957 2HG GLU 957 26.575 5.703 -11.662 8 2HG GLU 957 1HG GLU 957 25.370 4.498 -11.211 9 H ALA 958 H ALA 958 22.334 6.110 -9.305 10 HA ALA 958 HA ALA 958 22.373 3.182 -9.008 11 1HB ALA 958 1HB ALA 958 22.462 5.303 -6.864 12 2HB ALA 958 2HB ALA 958 23.848 4.404 -7.481 13 3HB ALA 958 3HB ALA 958 22.567 3.560 -6.611 14 H GLU 959 H GLU 959 20.716 2.307 -7.465 15 HA GLU 959 HA GLU 959 18.238 3.821 -7.316 16 1HB GLU 959 2HB GLU 959 18.241 2.624 -9.528 17 2HB GLU 959 1HB GLU 959 18.298 1.107 -8.645 18 1HG GLU 959 1HG GLU 959 16.117 3.135 -8.263 19 2HG GLU 959 2HG GLU 959 16.033 1.843 -9.459 20 H ALA 960 H ALA 960 17.514 3.588 -5.317 21 HA ALA 960 HA ALA 960 17.320 0.991 -4.085 22 1HB ALA 960 1HB ALA 960 19.082 3.076 -2.805 23 2HB ALA 960 2HB ALA 960 19.637 1.581 -3.557 24 3HB ALA 960 3HB ALA 960 18.636 1.521 -2.107 25 H LYS 961 H LYS 961 15.714 3.424 -4.891 26 HA LYS 961 HA LYS 961 14.099 3.531 -2.475 27 1HB LYS 961 2HB LYS 961 14.028 5.896 -2.299 28 2HB LYS 961 1HB LYS 961 15.728 5.463 -2.395 29 1HG LYS 961 1HG LYS 961 14.099 6.394 -4.747 30 2HG LYS 961 2HG LYS 961 15.078 7.458 -3.737 31 1HD LYS 961 1HD LYS 961 16.239 5.044 -5.099 32 2HD LYS 961 2HD LYS 961 16.122 6.607 -5.908 33 1HE LYS 961 2HE LYS 961 18.310 6.423 -4.963 34 2HE LYS 961 1HE LYS 961 17.403 7.607 -4.022 35 1HZ LYS 961 1HZ LYS 961 17.750 4.768 -3.233 36 2HZ LYS 961 2HZ LYS 961 17.057 6.002 -2.308 37 3HZ LYS 961 3HZ LYS 961 18.710 6.038 -2.660 38 H SER 962 H SER 962 12.312 5.473 -3.223 39 HA SER 962 HA SER 962 10.449 5.838 -4.470 40 1HB SER 962 2HB SER 962 12.037 6.601 -6.170 41 2HB SER 962 1HB SER 962 12.238 4.946 -6.746 42 HG SER 962 HG SER 962 9.626 5.665 -6.670 43 H CYS 963 H CYS 963 9.721 3.904 -3.202 44 HA CYS 963 HA CYS 963 9.571 1.331 -4.282 45 1HB CYS 963 2HB CYS 963 7.662 2.751 -2.414 46 2HB CYS 963 1HB CYS 963 7.636 1.021 -2.741 47 H LYS 964 H LYS 964 7.669 0.219 -5.125 48 HA LYS 964 HA LYS 964 6.314 1.831 -7.138 49 1HB LYS 964 2HB LYS 964 6.308 -1.161 -6.692 50 2HB LYS 964 1HB LYS 964 5.586 -0.329 -8.063 51 1HG LYS 964 2HG LYS 964 7.783 0.458 -8.758 52 2HG LYS 964 1HG LYS 964 8.517 -0.347 -7.369 53 1HD LYS 964 2HD LYS 964 7.732 -2.509 -8.214 54 2HD LYS 964 1HD LYS 964 7.011 -1.700 -9.608 55 1HE LYS 964 1HE LYS 964 9.165 -2.678 -10.186 56 2HE LYS 964 2HE LYS 964 9.218 -0.920 -10.301 57 1HZ LYS 964 1HZ LYS 964 11.191 -1.782 -9.222 58 2HZ LYS 964 2HZ LYS 964 10.252 -2.538 -8.036 59 3HZ LYS 964 3HZ LYS 964 10.291 -0.850 -8.134 60 H THR 965 H THR 965 4.498 2.805 -6.530 61 HA THR 965 HA THR 965 3.003 2.298 -4.266 62 HB THR 965 HB THR 965 1.191 3.602 -5.300 63 HG1 THR 965 1HG THR 965 2.768 3.272 -7.649 64 1HG2 THR 965 1HG2 THR 965 3.105 4.790 -4.351 65 2HG2 THR 965 2HG2 THR 965 2.470 5.647 -5.756 66 3HG2 THR 965 3HG2 THR 965 3.945 4.691 -5.899 67 HA PRO 966 HA PRO 966 0.971 -1.512 -5.097 68 1HB PRO 966 2HB PRO 966 -1.141 -0.604 -3.253 69 2HB PRO 966 1HB PRO 966 -0.049 -1.985 -3.118 70 1HG PRO 966 2HG PRO 966 0.224 0.186 -1.562 71 2HG PRO 966 1HG PRO 966 1.624 -0.738 -2.137 72 1HD PRO 966 1HD PRO 966 0.529 1.862 -3.135 73 2HD PRO 966 2HD PRO 966 2.218 1.355 -2.928 74 HA PRO 967 HA PRO 967 -2.018 -0.306 -8.198 75 1HB PRO 967 2HB PRO 967 -2.822 -2.840 -8.848 76 2HB PRO 967 1HB PRO 967 -1.342 -2.093 -9.459 77 1HG PRO 967 2HG PRO 967 -1.701 -4.011 -7.188 78 2HG PRO 967 1HG PRO 967 -0.451 -3.988 -8.447 79 1HD PRO 967 2HD PRO 967 0.020 -3.064 -5.964 80 2HD PRO 967 1HD PRO 967 0.751 -2.309 -7.396 81 H ASP 968 H ASP 968 -4.033 0.367 -7.875 82 HA ASP 968 HA ASP 968 -5.497 -0.465 -5.567 83 1HB ASP 968 2HB ASP 968 -6.308 1.354 -7.845 84 2HB ASP 968 1HB ASP 968 -7.184 1.170 -6.328 85 HA PRO 969 HA PRO 969 -7.540 -3.862 -7.746 86 1HB PRO 969 2HB PRO 969 -8.873 -4.187 -5.140 87 2HB PRO 969 1HB PRO 969 -7.901 -5.343 -6.055 88 1HG PRO 969 1HG PRO 969 -6.983 -4.207 -3.803 89 2HG PRO 969 2HG PRO 969 -5.911 -4.573 -5.168 90 1HD PRO 969 2HD PRO 969 -7.108 -1.951 -4.348 91 2HD PRO 969 1HD PRO 969 -5.466 -2.309 -4.924 92 H VAL 970 H VAL 970 -10.080 -4.614 -7.086 93 HA VAL 970 HA VAL 970 -11.747 -2.821 -8.378 94 HB VAL 970 HB VAL 970 -12.345 -5.173 -8.007 95 1HG1 VAL 970 1HG1 VAL 970 -12.777 -4.326 -5.145 96 2HG1 VAL 970 2HG1 VAL 970 -11.556 -5.453 -5.737 97 3HG1 VAL 970 3HG1 VAL 970 -13.266 -5.877 -5.830 98 1HG2 VAL 970 1HG2 VAL 970 -14.359 -3.228 -6.886 99 2HG2 VAL 970 2HG2 VAL 970 -14.722 -4.839 -7.502 100 3HG2 VAL 970 3HG2 VAL 970 -14.103 -3.598 -8.591 101 H ASN 971 H ASN 971 -12.769 -1.002 -7.818 102 HA ASN 971 HA ASN 971 -13.191 0.894 -6.614 103 1HB ASN 971 1HB ASN 971 -14.167 -1.202 -4.663 104 2HB ASN 971 2HB ASN 971 -14.605 0.503 -4.625 105 1HD2 ASN 971 1HD2 ASN 971 -16.771 0.104 -4.905 106 2HD2 ASN 971 2HD2 ASN 971 -17.438 -0.444 -6.400 107 H GLY 972 H GLY 972 -10.542 0.351 -6.419 108 1HA GLY 972 1HA GLY 972 -9.805 0.332 -3.591 109 2HA GLY 972 2HA GLY 972 -8.703 0.197 -4.953 110 H MET 973 H MET 973 -8.279 1.879 -2.735 111 HA MET 973 HA MET 973 -7.810 4.352 -4.097 112 1HB MET 973 1HB MET 973 -10.155 4.686 -3.451 113 2HB MET 973 2HB MET 973 -9.748 4.346 -1.775 114 1HG MET 973 2HG MET 973 -9.985 6.729 -2.156 115 2HG MET 973 1HG MET 973 -8.332 6.320 -1.700 116 1HE MET 973 1HE MET 973 -10.732 7.311 -4.640 117 2HE MET 973 2HE MET 973 -10.047 5.789 -5.207 118 3HE MET 973 3HE MET 973 -9.633 7.298 -6.019 119 H VAL 974 H VAL 974 -5.683 4.214 -3.574 120 HA VAL 974 HA VAL 974 -4.919 3.884 -0.770 121 HB VAL 974 HB VAL 974 -3.706 2.556 -2.446 122 1HG1 VAL 974 1HG1 VAL 974 -3.846 4.079 -4.333 123 2HG1 VAL 974 2HG1 VAL 974 -2.166 3.656 -4.010 124 3HG1 VAL 974 3HG1 VAL 974 -2.791 5.227 -3.508 125 1HG2 VAL 974 1HG2 VAL 974 -2.013 4.661 -1.106 126 2HG2 VAL 974 2HG2 VAL 974 -1.427 3.118 -1.729 127 3HG2 VAL 974 3HG2 VAL 974 -2.570 3.152 -0.385 128 H HIS 975 H HIS 975 -3.547 5.384 0.298 129 HA HIS 975 HA HIS 975 -3.537 8.085 -0.874 130 1HB HIS 975 1HB HIS 975 -4.232 7.378 1.985 131 2HB HIS 975 2HB HIS 975 -4.090 9.011 1.342 132 HD1 HIS 975 1HD HIS 975 -6.493 6.356 1.886 133 HD2 HIS 975 2HD HIS 975 -6.107 9.557 -0.734 134 HE1 HIS 975 1HE HIS 975 -8.789 6.721 0.929 135 HE2 HIS 975 2HE HIS 975 -8.512 8.606 -0.719 136 H VAL 976 H VAL 976 -1.717 9.270 -0.569 137 HA VAL 976 HA VAL 976 0.539 7.942 0.712 138 HB VAL 976 HB VAL 976 0.926 8.877 -1.504 139 1HG1 VAL 976 1HG1 VAL 976 0.872 11.294 -1.893 140 2HG1 VAL 976 2HG1 VAL 976 0.240 11.539 -0.265 141 3HG1 VAL 976 3HG1 VAL 976 -0.719 10.669 -1.461 142 1HG2 VAL 976 1HG2 VAL 976 2.802 8.815 0.034 143 2HG2 VAL 976 2HG2 VAL 976 2.364 10.404 0.663 144 3HG2 VAL 976 3HG2 VAL 976 2.911 10.235 -1.006 145 H ILE 977 H ILE 977 1.324 8.491 2.642 146 HA ILE 977 HA ILE 977 -0.023 10.629 4.096 147 HB ILE 977 HB ILE 977 1.911 8.552 5.128 148 1HG1 ILE 977 1HG1 ILE 977 -0.097 7.489 4.248 149 2HG1 ILE 977 2HG1 ILE 977 -0.107 7.422 6.007 150 1HG2 ILE 977 1HG2 ILE 977 0.052 10.429 6.583 151 2HG2 ILE 977 2HG2 ILE 977 1.812 10.522 6.542 152 3HG2 ILE 977 3HG2 ILE 977 1.020 9.161 7.334 153 1HD1 ILE 977 1HD1 ILE 977 -1.660 9.356 4.306 154 2HD1 ILE 977 2HD1 ILE 977 -1.665 9.299 6.069 155 3HD1 ILE 977 3HD1 ILE 977 -2.307 7.943 5.140 156 H THR 978 H THR 978 3.230 9.665 3.108 157 HA THR 978 HA THR 978 4.128 12.405 3.635 158 HB THR 978 HB THR 978 6.296 11.542 4.511 159 HG1 THR 978 1HG THR 978 5.131 9.095 5.158 160 1HG2 THR 978 1HG2 THR 978 4.577 12.350 6.049 161 2HG2 THR 978 2HG2 THR 978 5.469 11.005 6.758 162 3HG2 THR 978 3HG2 THR 978 3.854 10.742 6.100 163 H ASP 979 H ASP 979 5.555 9.332 2.502 164 HA ASP 979 HA ASP 979 6.051 10.508 -0.113 165 1HB ASP 979 2HB ASP 979 8.283 9.500 1.668 166 2HB ASP 979 1HB ASP 979 8.461 9.924 -0.032 167 H ILE 980 H ILE 980 7.724 8.641 -1.169 168 HA ILE 980 HA ILE 980 6.320 6.083 -0.754 169 HB ILE 980 HB ILE 980 7.333 7.099 -3.412 170 1HG1 ILE 980 2HG1 ILE 980 5.449 8.469 -2.605 171 2HG1 ILE 980 1HG1 ILE 980 4.994 7.498 -4.002 172 1HG2 ILE 980 1HG2 ILE 980 6.006 5.245 -4.330 173 2HG2 ILE 980 2HG2 ILE 980 5.607 4.734 -2.690 174 3HG2 ILE 980 3HG2 ILE 980 7.279 4.679 -3.248 175 1HD1 ILE 980 1HD1 ILE 980 3.890 5.897 -2.524 176 2HD1 ILE 980 2HD1 ILE 980 3.229 7.523 -2.344 177 3HD1 ILE 980 3HD1 ILE 980 4.336 6.883 -1.131 178 H GLN 981 H GLN 981 9.197 7.689 -0.556 179 HA GLN 981 HA GLN 981 10.991 5.668 -1.492 180 1HB GLN 981 2HB GLN 981 11.453 7.983 0.399 181 2HB GLN 981 1HB GLN 981 12.719 6.984 -0.302 182 1HG GLN 981 2HG GLN 981 12.104 7.733 -2.530 183 2HG GLN 981 1HG GLN 981 10.795 8.703 -1.853 184 1HE2 GLN 981 1HE2 GLN 981 12.377 9.497 0.468 185 2HE2 GLN 981 2HE2 GLN 981 13.501 10.678 -0.101 186 H VAL 982 H VAL 982 12.809 5.243 0.467 187 HA VAL 982 HA VAL 982 11.622 3.184 1.990 188 HB VAL 982 HB VAL 982 14.318 4.486 2.394 189 1HG1 VAL 982 1HG1 VAL 982 13.612 3.188 4.332 190 2HG1 VAL 982 2HG1 VAL 982 14.930 2.379 3.484 191 3HG1 VAL 982 3HG1 VAL 982 13.275 1.803 3.295 192 1HG2 VAL 982 1HG2 VAL 982 14.072 3.647 0.132 193 2HG2 VAL 982 2HG2 VAL 982 13.518 2.090 0.748 194 3HG2 VAL 982 3HG2 VAL 982 15.175 2.617 1.045 195 H GLY 983 H GLY 983 10.979 3.069 4.091 196 1HA GLY 983 1HA GLY 983 10.610 3.782 6.281 197 2HA GLY 983 2HA GLY 983 11.422 5.293 5.900 198 H SER 984 H SER 984 9.165 4.599 3.536 199 HA SER 984 HA SER 984 7.397 6.670 4.537 200 1HB SER 984 2HB SER 984 6.347 6.574 2.341 201 2HB SER 984 1HB SER 984 8.100 6.633 2.155 202 HG SER 984 HG SER 984 7.721 4.151 2.202 203 H ARG 985 H ARG 985 5.220 6.431 5.000 204 HA ARG 985 HA ARG 985 4.203 3.678 5.165 205 1HB ARG 985 2HB ARG 985 5.030 4.339 7.382 206 2HB ARG 985 1HB ARG 985 4.004 5.766 7.344 207 1HG ARG 985 2HG ARG 985 2.020 4.336 7.296 208 2HG ARG 985 1HG ARG 985 3.055 2.908 7.348 209 1HD ARG 985 1HD ARG 985 2.883 5.054 9.460 210 2HD ARG 985 2HD ARG 985 2.175 3.442 9.561 211 HE ARG 985 HE ARG 985 4.893 3.121 9.082 212 1HH1 ARG 985 1HH1 ARG 985 2.826 4.416 11.571 213 2HH1 ARG 985 2HH1 ARG 985 3.934 4.063 12.854 214 1HH2 ARG 985 1HH2 ARG 985 6.358 2.654 10.765 215 2HH2 ARG 985 2HH2 ARG 985 5.942 3.062 12.396 216 H ILE 986 H ILE 986 2.877 4.037 3.373 217 HA ILE 986 HA ILE 986 0.927 6.170 3.403 218 HB ILE 986 HB ILE 986 0.019 5.054 1.374 219 1HG1 ILE 986 1HG1 ILE 986 2.357 3.168 1.739 220 2HG1 ILE 986 2HG1 ILE 986 0.671 2.742 2.012 221 1HG2 ILE 986 1HG2 ILE 986 2.988 5.579 1.362 222 2HG2 ILE 986 2HG2 ILE 986 1.713 6.785 1.182 223 3HG2 ILE 986 3HG2 ILE 986 1.945 5.556 -0.060 224 1HD1 ILE 986 1HD1 ILE 986 0.185 3.168 -0.340 225 2HD1 ILE 986 2HD1 ILE 986 1.437 1.943 -0.141 226 3HD1 ILE 986 3HD1 ILE 986 1.876 3.585 -0.612 227 H THR 987 H THR 987 -1.426 5.318 2.770 228 HA THR 987 HA THR 987 -2.182 3.195 4.654 229 HB THR 987 HB THR 987 -4.100 4.554 5.432 230 HG1 THR 987 1HG THR 987 -4.354 6.063 3.825 231 1HG2 THR 987 1HG2 THR 987 -2.819 6.066 6.887 232 2HG2 THR 987 2HG2 THR 987 -1.399 5.835 5.868 233 3HG2 THR 987 3HG2 THR 987 -2.063 4.476 6.775 234 H TYR 988 H TYR 988 -3.563 1.783 3.818 235 HA TYR 988 HA TYR 988 -4.970 2.466 1.337 236 1HB TYR 988 1HB TYR 988 -3.619 0.137 2.239 237 2HB TYR 988 2HB TYR 988 -5.326 -0.275 2.086 238 HD1 TYR 988 1HD TYR 988 -2.256 0.439 0.336 239 HD2 TYR 988 2HD TYR 988 -6.467 0.050 -0.120 240 HE1 TYR 988 1HE TYR 988 -1.964 0.195 -2.095 241 HE2 TYR 988 2HE TYR 988 -6.188 -0.196 -2.551 242 HH TYR 988 HH TYR 988 -3.180 -0.763 -4.008 243 H SER 989 H SER 989 -7.186 2.382 1.164 244 HA SER 989 HA SER 989 -8.755 1.667 3.517 245 1HB SER 989 1HB SER 989 -8.807 4.437 2.299 246 2HB SER 989 2HB SER 989 -9.892 3.854 3.561 247 HG SER 989 HG SER 989 -7.934 3.469 4.818 248 H CYS 990 H CYS 990 -8.383 1.876 0.192 249 HA CYS 990 HA CYS 990 -9.708 1.465 -1.611 250 1HB CYS 990 2HB CYS 990 -11.286 0.080 0.550 251 2HB CYS 990 1HB CYS 990 -11.741 0.007 -1.149 252 H THR 991 H THR 991 -12.424 1.421 -2.022 253 HA THR 991 HA THR 991 -13.095 4.159 -2.034 254 HB THR 991 HB THR 991 -15.410 3.227 -2.663 255 HG1 THR 991 1HG THR 991 -14.584 1.060 -1.717 256 1HG2 THR 991 1HG2 THR 991 -14.650 2.644 -4.921 257 2HG2 THR 991 2HG2 THR 991 -12.998 2.500 -4.321 258 3HG2 THR 991 3HG2 THR 991 -13.807 4.066 -4.304 259 H THR 992 H THR 992 -15.081 5.083 -1.093 260 HA THR 992 HA THR 992 -15.111 4.708 1.728 261 HB THR 992 HB THR 992 -17.011 6.318 0.011 262 HG1 THR 992 1HG THR 992 -15.615 8.043 0.531 263 1HG2 THR 992 1HG2 THR 992 -16.419 6.471 2.970 264 2HG2 THR 992 2HG2 THR 992 -17.909 5.871 2.243 265 3HG2 THR 992 3HG2 THR 992 -17.466 7.569 2.071 266 H GLY 993 H GLY 993 -16.006 2.955 2.616 267 1HA GLY 993 1HA GLY 993 -18.225 2.109 3.324 268 2HA GLY 993 2HA GLY 993 -18.662 2.118 1.622 269 H HIS 994 H HIS 994 -15.475 1.181 1.969 270 HA HIS 994 HA HIS 994 -16.212 -1.671 2.020 271 1HB HIS 994 1HB HIS 994 -14.164 -0.325 0.245 272 2HB HIS 994 2HB HIS 994 -14.405 -2.066 0.360 273 HD1 HIS 994 1HD HIS 994 -16.402 1.026 -0.589 274 HD2 HIS 994 2HD HIS 994 -16.203 -3.041 -1.416 275 HE1 HIS 994 1HE HIS 994 -18.080 0.629 -2.421 276 HE2 HIS 994 2HE HIS 994 -17.880 -1.823 -2.963 277 H ARG 995 H ARG 995 -15.015 -2.973 3.290 278 HA ARG 995 HA ARG 995 -13.017 -1.690 4.979 279 1HB ARG 995 2HB ARG 995 -14.817 -2.981 6.041 280 2HB ARG 995 1HB ARG 995 -14.297 -4.421 5.179 281 1HG ARG 995 2HG ARG 995 -13.464 -4.601 7.380 282 2HG ARG 995 1HG ARG 995 -12.088 -4.205 6.349 283 1HD ARG 995 1HD ARG 995 -13.644 -2.154 7.911 284 2HD ARG 995 2HD ARG 995 -12.196 -2.952 8.522 285 HE ARG 995 HE ARG 995 -11.562 -1.869 6.041 286 1HH1 ARG 995 1HH1 ARG 995 -12.521 -0.757 9.201 287 2HH1 ARG 995 2HH1 ARG 995 -11.687 0.754 9.064 288 1HH2 ARG 995 1HH2 ARG 995 -10.460 0.118 5.853 289 2HH2 ARG 995 2HH2 ARG 995 -10.516 1.252 7.161 290 H LEU 996 H LEU 996 -10.905 -1.963 4.729 291 HA LEU 996 HA LEU 996 -9.845 -3.573 2.629 292 1HB LEU 996 1HB LEU 996 -8.910 -1.383 3.536 293 2HB LEU 996 2HB LEU 996 -8.287 -2.318 4.881 294 HG LEU 996 HG LEU 996 -7.176 -3.756 2.985 295 1HD1 LEU 996 1HD1 LEU 996 -8.304 -2.615 1.141 296 2HD1 LEU 996 2HD1 LEU 996 -6.553 -2.432 1.041 297 3HD1 LEU 996 3HD1 LEU 996 -7.548 -1.096 1.618 298 1HD2 LEU 996 1HD2 LEU 996 -6.174 -1.023 3.765 299 2HD2 LEU 996 2HD2 LEU 996 -5.192 -2.333 3.110 300 3HD2 LEU 996 3HD2 LEU 996 -5.963 -2.511 4.687 301 H ILE 997 H ILE 997 -9.020 -5.595 2.683 302 HA ILE 997 HA ILE 997 -9.010 -6.999 5.252 303 HB ILE 997 HB ILE 997 -8.547 -8.208 2.527 304 1HG1 ILE 997 2HG1 ILE 997 -10.721 -7.070 2.536 305 2HG1 ILE 997 1HG1 ILE 997 -10.929 -8.819 2.529 306 1HG2 ILE 997 1HG2 ILE 997 -9.424 -9.408 5.151 307 2HG2 ILE 997 2HG2 ILE 997 -7.831 -9.573 4.412 308 3HG2 ILE 997 3HG2 ILE 997 -9.244 -10.282 3.630 309 1HD1 ILE 997 1HD1 ILE 997 -11.392 -8.772 4.925 310 2HD1 ILE 997 2HD1 ILE 997 -12.514 -7.756 4.020 311 3HD1 ILE 997 3HD1 ILE 997 -11.192 -7.021 4.926 312 H GLY 998 H GLY 998 -7.044 -5.366 5.490 313 1HA GLY 998 2HA GLY 998 -4.649 -6.992 5.160 314 2HA GLY 998 1HA GLY 998 -4.641 -5.432 4.352 315 H HIS 999 H HIS 999 -3.592 -3.929 5.454 316 HA HIS 999 HA HIS 999 -3.749 -3.971 8.391 317 1HB HIS 999 2HB HIS 999 -1.544 -4.792 7.421 318 2HB HIS 999 1HB HIS 999 -1.292 -3.148 6.842 319 HD1 HIS 999 1HD HIS 999 0.575 -2.394 8.334 320 HD2 HIS 999 2HD HIS 999 -2.574 -4.092 10.445 321 HE1 HIS 999 1HE HIS 999 1.108 -2.006 10.761 322 HE2 HIS 999 2HE HIS 999 -0.764 -3.127 12.023 323 H SER1000 H SER1000 -4.565 -2.317 5.706 324 HA SER1000 HA SER1000 -5.176 -0.179 5.234 325 1HB SER1000 2HB SER1000 -6.492 -0.450 7.308 326 2HB SER1000 1HB SER1000 -5.122 0.147 8.245 327 HG SER1000 HG SER1000 -6.935 1.523 6.680 328 H SER1001 H SER1001 -2.355 -0.840 5.351 329 HA SER1001 HA SER1001 -1.203 1.724 5.139 330 1HB SER1001 1HB SER1001 -1.385 1.648 7.615 331 2HB SER1001 2HB SER1001 -0.398 0.187 7.623 332 HG SER1001 HG SER1001 0.743 2.219 7.997 333 H ALA1002 H ALA1002 1.389 1.390 5.328 334 HA ALA1002 HA ALA1002 2.353 -1.205 4.650 335 1HB ALA1002 1HB ALA1002 1.245 -0.658 2.534 336 2HB ALA1002 2HB ALA1002 2.994 -0.773 2.343 337 3HB ALA1002 3HB ALA1002 2.216 0.809 2.409 338 H GLU1003 H GLU1003 4.697 -1.092 3.936 339 HA GLU1003 HA GLU1003 6.074 1.344 4.736 340 1HB GLU1003 1HB GLU1003 5.779 0.145 6.846 341 2HB GLU1003 2HB GLU1003 6.498 -1.297 6.144 342 1HG GLU1003 2HG GLU1003 8.100 -0.171 7.547 343 2HG GLU1003 1HG GLU1003 8.614 -0.091 5.863 344 H CYS1004 H CYS1004 7.912 1.654 3.621 345 HA CYS1004 HA CYS1004 8.636 -0.204 1.569 346 1HB CYS1004 2HB CYS1004 9.581 2.504 2.434 347 2HB CYS1004 1HB CYS1004 10.544 1.564 1.307 348 H ILE1005 H ILE1005 9.532 -2.051 2.349 349 HA ILE1005 HA ILE1005 11.951 -1.768 4.008 350 HB ILE1005 HB ILE1005 11.643 -4.184 4.555 351 1HG1 ILE1005 2HG1 ILE1005 8.898 -3.799 3.339 352 2HG1 ILE1005 1HG1 ILE1005 10.205 -4.690 2.565 353 1HG2 ILE1005 1HG2 ILE1005 9.830 -3.807 6.167 354 2HG2 ILE1005 2HG2 ILE1005 9.390 -2.330 5.310 355 3HG2 ILE1005 3HG2 ILE1005 10.959 -2.453 6.106 356 1HD1 ILE1005 1HD1 ILE1005 8.913 -5.385 5.192 357 2HD1 ILE1005 2HD1 ILE1005 10.220 -6.278 4.414 358 3HD1 ILE1005 3HD1 ILE1005 8.635 -6.188 3.646 359 H LEU1006 H LEU1006 13.574 -3.558 3.630 360 HA LEU1006 HA LEU1006 13.741 -4.264 0.776 361 1HB LEU1006 2HB LEU1006 15.891 -3.184 2.583 362 2HB LEU1006 1HB LEU1006 16.267 -4.049 1.106 363 HG LEU1006 HG LEU1006 14.573 -1.552 1.179 364 1HD1 LEU1006 1HD1 LEU1006 16.813 -1.045 1.997 365 2HD1 LEU1006 2HD1 LEU1006 16.558 -0.367 0.389 366 3HD1 LEU1006 3HD1 LEU1006 17.516 -1.835 0.586 367 1HD2 LEU1006 1HD2 LEU1006 15.062 -1.492 -1.216 368 2HD2 LEU1006 2HD2 LEU1006 14.223 -2.976 -0.764 369 3HD2 LEU1006 3HD2 LEU1006 15.961 -3.002 -1.072 370 H SER1007 H SER1007 14.120 -6.351 0.358 371 HA SER1007 HA SER1007 15.471 -8.026 2.313 372 1HB SER1007 2HB SER1007 13.687 -9.726 2.313 373 2HB SER1007 1HB SER1007 13.112 -8.195 2.974 374 HG SER1007 HG SER1007 12.476 -7.871 0.597 375 H GLY1008 H GLY1008 15.446 -6.978 -0.650 376 1HA GLY1008 1HA GLY1008 16.638 -9.403 -1.715 377 2HA GLY1008 2HA GLY1008 15.204 -8.841 -2.561 378 H ASN1009 H ASN1009 15.296 -6.966 -3.796 379 HA ASN1009 HA ASN1009 17.840 -5.556 -3.984 380 1HB ASN1009 1HB ASN1009 18.032 -7.428 -5.579 381 2HB ASN1009 2HB ASN1009 16.551 -6.898 -6.370 382 1HD2 ASN1009 2HD2 ASN1009 16.573 -5.063 -7.648 383 2HD2 ASN1009 1HD2 ASN1009 18.041 -4.338 -8.198 384 H THR1010 H THR1010 14.501 -5.614 -4.052 385 HA THR1010 HA THR1010 14.416 -2.833 -5.000 386 HB THR1010 HB THR1010 13.536 -4.119 -6.833 387 HG1 THR1010 1HG THR1010 11.071 -3.421 -5.993 388 1HG2 THR1010 1HG2 THR1010 11.612 -5.621 -6.570 389 2HG2 THR1010 2HG2 THR1010 11.660 -5.374 -4.825 390 3HG2 THR1010 3HG2 THR1010 13.001 -6.182 -5.639 391 H ALA1011 H ALA1011 13.346 -1.476 -3.697 392 HA ALA1011 HA ALA1011 12.399 -2.343 -1.172 393 1HB ALA1011 1HB ALA1011 12.017 0.326 -2.521 394 2HB ALA1011 2HB ALA1011 13.397 -0.136 -1.525 395 3HB ALA1011 3HB ALA1011 11.791 -0.017 -0.805 396 H HIS1012 H HIS1012 10.568 -3.404 -0.858 397 HA HIS1012 HA HIS1012 8.193 -2.613 -2.414 398 1HB HIS1012 2HB HIS1012 7.334 -4.885 -2.039 399 2HB HIS1012 1HB HIS1012 8.887 -4.922 -2.867 400 HD1 HIS1012 1HD HIS1012 7.156 -6.146 0.121 401 HD2 HIS1012 2HD HIS1012 11.084 -5.730 -1.167 402 HE1 HIS1012 1HE HIS1012 8.523 -7.591 1.659 403 HE2 HIS1012 2HE HIS1012 10.908 -7.242 0.924 404 H TRP1013 H TRP1013 6.152 -3.543 -1.048 405 HA TRP1013 HA TRP1013 6.297 -2.081 1.483 406 1HB TRP1013 2HB TRP1013 3.876 -3.072 -0.038 407 2HB TRP1013 1HB TRP1013 3.850 -2.046 1.392 408 HD1 TRP1013 HD TRP1013 4.084 -1.898 -2.337 409 HE1 TRP1013 1HE TRP1013 4.363 0.544 -3.101 410 HE3 TRP1013 3HE TRP1013 5.051 0.268 2.193 411 HZ2 TRP1013 2HZ TRP1013 4.917 3.054 -1.940 412 HZ3 TRP1013 3HZ TRP1013 5.444 2.696 2.280 413 HH2 TRP1013 HH TRP1013 5.380 4.058 0.254 414 H SER1014 H SER1014 5.889 -2.995 3.438 415 HA SER1014 HA SER1014 6.433 -5.780 3.635 416 1HB SER1014 1HB SER1014 7.284 -4.192 5.292 417 2HB SER1014 2HB SER1014 5.635 -3.795 5.777 418 HG SER1014 HG SER1014 6.783 -6.385 5.944 419 H THR1015 H THR1015 3.583 -4.149 3.077 420 HA THR1015 HA THR1015 1.930 -6.076 4.543 421 HB THR1015 HB THR1015 0.034 -4.592 3.998 422 HG1 THR1015 1HG THR1015 1.994 -2.827 2.921 423 1HG2 THR1015 1HG2 THR1015 0.696 -2.710 5.425 424 2HG2 THR1015 2HG2 THR1015 2.390 -3.162 5.236 425 3HG2 THR1015 3HG2 THR1015 1.278 -4.243 6.076 426 H LYS1016 H LYS1016 0.781 -7.615 3.559 427 HA LYS1016 HA LYS1016 1.250 -8.365 0.909 428 1HB LYS1016 1HB LYS1016 -0.782 -9.854 1.260 429 2HB LYS1016 2HB LYS1016 0.539 -10.051 2.401 430 1HG LYS1016 2HG LYS1016 -1.357 -10.090 3.737 431 2HG LYS1016 1HG LYS1016 -0.772 -8.433 3.898 432 1HD LYS1016 2HD LYS1016 -3.158 -8.391 3.603 433 2HD LYS1016 1HD LYS1016 -2.392 -7.742 2.151 434 1HE LYS1016 1HE LYS1016 -4.221 -9.239 1.570 435 2HE LYS1016 2HE LYS1016 -2.676 -9.896 1.034 436 1HZ LYS1016 1HZ LYS1016 -2.658 -11.338 2.973 437 2HZ LYS1016 2HZ LYS1016 -4.052 -11.598 2.050 438 3HZ LYS1016 3HZ LYS1016 -4.143 -10.708 3.486 439 HA PRO1017 HA PRO1017 -1.335 -6.081 -1.798 440 1HB PRO1017 1HB PRO1017 -2.887 -8.127 -2.930 441 2HB PRO1017 2HB PRO1017 -1.332 -7.543 -3.528 442 1HG PRO1017 1HG PRO1017 -1.944 -9.918 -1.835 443 2HG PRO1017 2HG PRO1017 -0.715 -9.721 -3.099 444 1HD PRO1017 1HD PRO1017 -0.054 -9.687 -0.508 445 2HD PRO1017 2HD PRO1017 0.750 -8.612 -1.673 446 HA PRO1018 HA PRO1018 -4.810 -5.700 1.042 447 1HB PRO1018 2HB PRO1018 -5.588 -3.230 0.200 448 2HB PRO1018 1HB PRO1018 -4.236 -3.495 1.306 449 1HG PRO1018 2HG PRO1018 -4.203 -3.013 -1.649 450 2HG PRO1018 1HG PRO1018 -3.154 -2.329 -0.392 451 1HD PRO1018 2HD PRO1018 -2.365 -4.374 -1.967 452 2HD PRO1018 1HD PRO1018 -1.843 -4.228 -0.276 453 H ILE1019 H ILE1019 -7.122 -5.466 0.869 454 HA ILE1019 HA ILE1019 -8.181 -5.893 -1.847 455 HB ILE1019 HB ILE1019 -9.263 -7.353 0.554 456 1HG1 ILE1019 1HG1 ILE1019 -8.070 -9.366 -0.568 457 2HG1 ILE1019 2HG1 ILE1019 -7.042 -8.148 -1.313 458 1HG2 ILE1019 1HG2 ILE1019 -10.250 -8.812 -1.155 459 2HG2 ILE1019 2HG2 ILE1019 -9.541 -7.801 -2.413 460 3HG2 ILE1019 3HG2 ILE1019 -10.767 -7.137 -1.334 461 1HD1 ILE1019 1HD1 ILE1019 -6.007 -9.053 0.673 462 2HD1 ILE1019 2HD1 ILE1019 -7.411 -8.596 1.638 463 3HD1 ILE1019 3HD1 ILE1019 -6.399 -7.350 0.907 464 H CYS1020 H CYS1020 -10.540 -5.515 -1.989 465 HA CYS1020 HA CYS1020 -11.408 -3.452 -0.071 466 1HB CYS1020 1HB CYS1020 -12.048 -3.611 -3.024 467 2HB CYS1020 2HB CYS1020 -12.614 -2.369 -1.913 468 H GLN1021 H GLN1021 -12.521 -4.955 1.212 469 HA GLN1021 HA GLN1021 -14.531 -6.664 0.057 470 1HB GLN1021 2HB GLN1021 -13.417 -7.525 1.972 471 2HB GLN1021 1HB GLN1021 -13.711 -6.057 2.894 472 1HG GLN1021 2HG GLN1021 -16.076 -6.549 2.987 473 2HG GLN1021 1HG GLN1021 -15.842 -7.978 1.981 474 1HE2 GLN1021 1HE2 GLN1021 -14.966 -9.816 2.865 475 2HE2 GLN1021 2HE2 GLN1021 -14.758 -10.036 4.565 476 H ARG1022 H ARG1022 -16.705 -6.379 0.027 477 HA ARG1022 HA ARG1022 -17.722 -3.776 0.914 478 1HB ARG1022 2HB ARG1022 -19.730 -4.376 -0.482 479 2HB ARG1022 1HB ARG1022 -18.233 -4.167 -1.379 480 1HG ARG1022 2HG ARG1022 -19.084 -6.892 -0.498 481 2HG ARG1022 1HG ARG1022 -19.794 -6.152 -1.935 482 1HD ARG1022 2HD ARG1022 -16.853 -6.613 -1.449 483 2HD ARG1022 1HD ARG1022 -17.888 -7.568 -2.509 484 HE ARG1022 HE ARG1022 -18.016 -4.861 -3.266 485 1HH1 ARG1022 1HH1 ARG1022 -15.828 -7.573 -3.301 486 2HH1 ARG1022 2HH1 ARG1022 -14.973 -7.030 -4.706 487 1HH2 ARG1022 1HH2 ARG1022 -16.897 -4.139 -5.116 488 2HH2 ARG1022 2HH2 ARG1022 -15.581 -5.077 -5.739 489 H ILE1023 H ILE1023 -17.766 -4.378 3.139 490 HA ILE1023 HA ILE1023 -18.961 -6.650 4.190 491 HB ILE1023 HB ILE1023 -19.370 -5.019 6.216 492 1HG1 ILE1023 1HG1 ILE1023 -17.630 -3.171 6.117 493 2HG1 ILE1023 2HG1 ILE1023 -17.576 -3.437 4.377 494 1HG2 ILE1023 1HG2 ILE1023 -16.630 -5.782 5.230 495 2HG2 ILE1023 2HG2 ILE1023 -17.724 -6.799 6.166 496 3HG2 ILE1023 3HG2 ILE1023 -17.037 -5.345 6.889 497 1HD1 ILE1023 1HD1 ILE1023 -19.932 -2.864 4.207 498 2HD1 ILE1023 2HD1 ILE1023 -19.007 -1.561 4.955 499 3HD1 ILE1023 3HD1 ILE1023 -20.004 -2.620 5.952 500 HA PRO1024 HA PRO1024 -23.310 -6.046 3.753 501 1HB PRO1024 2HB PRO1024 -24.254 -7.254 5.994 502 2HB PRO1024 1HB PRO1024 -23.595 -8.153 4.623 503 1HG PRO1024 1HG PRO1024 -22.279 -7.401 7.207 504 2HG PRO1024 2HG PRO1024 -22.223 -8.942 6.330 505 1HD PRO1024 1HD PRO1024 -20.217 -7.129 6.214 506 2HD PRO1024 2HD PRO1024 -20.629 -8.182 4.847 Start of MODEL 14 1 1H GLU 957 1HT GLU 957 18.578 2.699 -10.346 2 2H GLU 957 2HT GLU 957 17.370 2.211 -11.425 3 3H GLU 957 3HT GLU 957 16.953 2.742 -9.875 4 HA GLU 957 HA GLU 957 18.199 4.399 -11.990 5 1HB GLU 957 1HB GLU 957 15.737 3.660 -12.225 6 2HB GLU 957 2HB GLU 957 15.428 4.713 -10.852 7 1HG GLU 957 1HG GLU 957 16.670 5.593 -13.449 8 2HG GLU 957 2HG GLU 957 14.968 5.771 -13.029 9 H ALA 958 H ALA 958 19.609 5.654 -10.937 10 HA ALA 958 HA ALA 958 20.509 7.107 -9.436 11 1HB ALA 958 1HB ALA 958 17.624 7.827 -8.925 12 2HB ALA 958 2HB ALA 958 18.646 8.504 -10.194 13 3HB ALA 958 3HB ALA 958 19.033 8.800 -8.499 14 H GLU 959 H GLU 959 21.301 5.401 -8.115 15 HA GLU 959 HA GLU 959 21.668 4.341 -6.139 16 1HB GLU 959 1HB GLU 959 19.773 6.439 -5.064 17 2HB GLU 959 2HB GLU 959 20.818 5.415 -4.089 18 1HG GLU 959 1HG GLU 959 21.730 7.451 -6.110 19 2HG GLU 959 2HG GLU 959 21.750 7.644 -4.357 20 H ALA 960 H ALA 960 20.385 3.366 -4.135 21 HA ALA 960 HA ALA 960 18.022 2.025 -5.273 22 1HB ALA 960 1HB ALA 960 19.932 1.004 -3.173 23 2HB ALA 960 2HB ALA 960 19.925 0.537 -4.875 24 3HB ALA 960 3HB ALA 960 18.556 0.127 -3.842 25 H LYS 961 H LYS 961 16.508 3.537 -4.537 26 HA LYS 961 HA LYS 961 15.696 3.225 -1.795 27 1HB LYS 961 2HB LYS 961 17.473 5.037 -1.770 28 2HB LYS 961 1HB LYS 961 16.372 6.016 -2.728 29 1HG LYS 961 2HG LYS 961 14.724 5.945 -0.941 30 2HG LYS 961 1HG LYS 961 15.793 4.918 0.016 31 1HD LYS 961 1HD LYS 961 17.474 6.714 0.035 32 2HD LYS 961 2HD LYS 961 16.369 7.741 -0.880 33 1HE LYS 961 1HE LYS 961 14.749 7.633 0.942 34 2HE LYS 961 2HE LYS 961 15.837 6.589 1.856 35 1HZ LYS 961 1HZ LYS 961 16.410 9.385 1.036 36 2HZ LYS 961 2HZ LYS 961 17.452 8.385 1.913 37 3HZ LYS 961 3HZ LYS 961 15.986 8.881 2.595 38 H SER 962 H SER 962 13.698 4.634 -1.365 39 HA SER 962 HA SER 962 11.573 5.240 -1.889 40 1HB SER 962 2HB SER 962 12.578 6.932 -3.339 41 2HB SER 962 1HB SER 962 12.730 5.751 -4.640 42 HG SER 962 HG SER 962 10.640 7.283 -4.032 43 H CYS 963 H CYS 963 10.044 3.756 -1.913 44 HA CYS 963 HA CYS 963 10.355 1.307 -3.366 45 1HB CYS 963 2HB CYS 963 8.065 2.354 -1.691 46 2HB CYS 963 1HB CYS 963 8.158 0.721 -2.346 47 H LYS 964 H LYS 964 8.537 0.397 -4.676 48 HA LYS 964 HA LYS 964 7.665 2.224 -6.714 49 1HB LYS 964 2HB LYS 964 6.942 -0.673 -6.226 50 2HB LYS 964 1HB LYS 964 6.538 0.245 -7.670 51 1HG LYS 964 1HG LYS 964 8.910 0.518 -8.171 52 2HG LYS 964 2HG LYS 964 9.322 -0.392 -6.717 53 1HD LYS 964 1HD LYS 964 9.464 -1.856 -8.624 54 2HD LYS 964 2HD LYS 964 8.084 -2.334 -7.634 55 1HE LYS 964 1HE LYS 964 7.512 -2.371 -10.002 56 2HE LYS 964 2HE LYS 964 6.581 -1.143 -9.147 57 1HZ LYS 964 1HZ LYS 964 9.007 -0.639 -10.783 58 2HZ LYS 964 2HZ LYS 964 8.108 0.539 -9.967 59 3HZ LYS 964 3HZ LYS 964 7.414 -0.313 -11.253 60 H THR 965 H THR 965 5.116 1.411 -7.321 61 HA THR 965 HA THR 965 3.553 2.105 -4.924 62 HB THR 965 HB THR 965 2.048 3.454 -6.276 63 HG1 THR 965 1HG THR 965 3.747 2.599 -8.374 64 1HG2 THR 965 1HG2 THR 965 4.935 4.246 -6.674 65 2HG2 THR 965 2HG2 THR 965 3.959 4.576 -5.244 66 3HG2 THR 965 3HG2 THR 965 3.547 5.328 -6.785 67 HA PRO 966 HA PRO 966 1.433 -1.645 -5.989 68 1HB PRO 966 2HB PRO 966 -0.609 -1.439 -4.220 69 2HB PRO 966 1HB PRO 966 1.035 -1.864 -3.733 70 1HG PRO 966 2HG PRO 966 -0.355 0.786 -3.602 71 2HG PRO 966 1HG PRO 966 0.670 0.001 -2.387 72 1HD PRO 966 2HD PRO 966 1.587 1.952 -4.025 73 2HD PRO 966 1HD PRO 966 2.621 0.632 -3.443 74 HA PRO 967 HA PRO 967 -1.753 -0.520 -8.850 75 1HB PRO 967 2HB PRO 967 -3.284 -2.782 -8.797 76 2HB PRO 967 1HB PRO 967 -1.738 -2.669 -9.645 77 1HG PRO 967 2HG PRO 967 -2.341 -3.820 -6.948 78 2HG PRO 967 1HG PRO 967 -1.294 -4.460 -8.229 79 1HD PRO 967 2HD PRO 967 -0.297 -3.169 -6.086 80 2HD PRO 967 1HD PRO 967 0.446 -3.031 -7.693 81 H ASP 968 H ASP 968 -3.712 0.461 -8.827 82 HA ASP 968 HA ASP 968 -4.856 1.203 -6.390 83 1HB ASP 968 1HB ASP 968 -6.708 2.131 -7.778 84 2HB ASP 968 2HB ASP 968 -5.108 2.596 -8.347 85 HA PRO 969 HA PRO 969 -7.122 -2.576 -5.470 86 1HB PRO 969 2HB PRO 969 -8.337 -0.777 -3.444 87 2HB PRO 969 1HB PRO 969 -7.571 -2.355 -3.233 88 1HG PRO 969 2HG PRO 969 -6.328 -0.119 -2.480 89 2HG PRO 969 1HG PRO 969 -5.431 -1.460 -3.221 90 1HD PRO 969 2HD PRO 969 -6.318 1.130 -4.430 91 2HD PRO 969 1HD PRO 969 -4.800 0.237 -4.662 92 H VAL 970 H VAL 970 -9.294 -3.267 -5.595 93 HA VAL 970 HA VAL 970 -10.904 -1.930 -7.461 94 HB VAL 970 HB VAL 970 -11.059 -4.342 -7.121 95 1HG1 VAL 970 1HG1 VAL 970 -12.234 -5.259 -5.163 96 2HG1 VAL 970 2HG1 VAL 970 -12.285 -3.644 -4.455 97 3HG1 VAL 970 3HG1 VAL 970 -10.735 -4.442 -4.722 98 1HG2 VAL 970 1HG2 VAL 970 -13.499 -4.563 -7.152 99 2HG2 VAL 970 2HG2 VAL 970 -12.957 -3.196 -8.126 100 3HG2 VAL 970 3HG2 VAL 970 -13.653 -2.921 -6.528 101 H ASN 971 H ASN 971 -12.393 -0.381 -7.283 102 HA ASN 971 HA ASN 971 -13.610 1.316 -6.374 103 1HB ASN 971 2HB ASN 971 -14.275 -0.802 -4.316 104 2HB ASN 971 1HB ASN 971 -15.182 0.681 -4.596 105 1HD2 ASN 971 1HD2 ASN 971 -16.063 -2.076 -4.763 106 2HD2 ASN 971 2HD2 ASN 971 -16.653 -2.300 -6.371 107 H GLY 972 H GLY 972 -10.834 1.122 -5.566 108 1HA GLY 972 1HA GLY 972 -11.000 2.703 -3.108 109 2HA GLY 972 2HA GLY 972 -9.993 1.264 -3.079 110 H MET 973 H MET 973 -8.883 3.685 -2.529 111 HA MET 973 HA MET 973 -7.030 3.966 -4.768 112 1HB MET 973 2HB MET 973 -7.066 6.446 -4.540 113 2HB MET 973 1HB MET 973 -8.570 5.776 -5.155 114 1HG MET 973 2HG MET 973 -9.577 5.983 -2.948 115 2HG MET 973 1HG MET 973 -8.065 6.628 -2.312 116 1HE MET 973 1HE MET 973 -7.043 8.971 -3.008 117 2HE MET 973 2HE MET 973 -7.765 10.035 -4.215 118 3HE MET 973 3HE MET 973 -7.084 8.482 -4.701 119 H VAL 974 H VAL 974 -4.978 4.000 -4.108 120 HA VAL 974 HA VAL 974 -4.408 3.935 -1.279 121 HB VAL 974 HB VAL 974 -3.254 2.386 -2.781 122 1HG1 VAL 974 1HG1 VAL 974 -3.149 3.779 -4.771 123 2HG1 VAL 974 2HG1 VAL 974 -1.542 3.198 -4.338 124 3HG1 VAL 974 3HG1 VAL 974 -2.006 4.860 -3.974 125 1HG2 VAL 974 1HG2 VAL 974 -2.157 3.026 -0.706 126 2HG2 VAL 974 2HG2 VAL 974 -1.401 4.400 -1.512 127 3HG2 VAL 974 3HG2 VAL 974 -0.967 2.755 -1.980 128 H HIS 975 H HIS 975 -3.184 5.396 -0.117 129 HA HIS 975 HA HIS 975 -3.044 8.069 -1.318 130 1HB HIS 975 1HB HIS 975 -3.042 7.231 1.589 131 2HB HIS 975 2HB HIS 975 -2.990 8.894 1.011 132 HD1 HIS 975 1HD HIS 975 -5.302 6.157 1.798 133 HD2 HIS 975 2HD HIS 975 -5.421 9.745 -0.295 134 HE1 HIS 975 1HE HIS 975 -7.744 6.675 1.490 135 HE2 HIS 975 2HE HIS 975 -7.791 8.805 0.146 136 H VAL 976 H VAL 976 -1.050 7.722 -2.406 137 HA VAL 976 HA VAL 976 1.354 7.023 -1.096 138 HB VAL 976 HB VAL 976 1.269 6.936 -3.494 139 1HG1 VAL 976 1HG2 VAL 976 -0.375 8.678 -3.894 140 2HG1 VAL 976 2HG2 VAL 976 1.063 8.952 -4.878 141 3HG1 VAL 976 3HG2 VAL 976 0.793 9.913 -3.424 142 1HG2 VAL 976 1HG1 VAL 976 3.275 8.216 -4.091 143 2HG2 VAL 976 2HG1 VAL 976 3.449 7.413 -2.530 144 3HG2 VAL 976 3HG1 VAL 976 3.119 9.144 -2.599 145 H ILE 977 H ILE 977 2.540 8.124 0.322 146 HA ILE 977 HA ILE 977 1.675 10.502 1.468 147 HB ILE 977 HB ILE 977 4.488 9.401 1.514 148 1HG1 ILE 977 1HG1 ILE 977 2.844 7.737 2.245 149 2HG1 ILE 977 2HG1 ILE 977 3.804 8.304 3.609 150 1HG2 ILE 977 1HG2 ILE 977 4.384 11.706 2.277 151 2HG2 ILE 977 2HG2 ILE 977 4.697 10.619 3.631 152 3HG2 ILE 977 3HG2 ILE 977 3.084 11.294 3.396 153 1HD1 ILE 977 1HD1 ILE 977 1.973 9.754 4.299 154 2HD1 ILE 977 2HD1 ILE 977 1.465 8.068 4.207 155 3HD1 ILE 977 3HD1 ILE 977 1.013 9.197 2.930 156 H THR 978 H THR 978 4.912 10.371 0.049 157 HA THR 978 HA THR 978 4.330 12.650 -1.672 158 HB THR 978 HB THR 978 6.308 13.911 -0.820 159 HG1 THR 978 1HG THR 978 7.461 12.400 0.307 160 1HG2 THR 978 1HG2 THR 978 5.203 14.809 1.179 161 2HG2 THR 978 2HG2 THR 978 4.128 13.411 1.211 162 3HG2 THR 978 3HG2 THR 978 4.052 14.552 -0.132 163 H ASP 979 H ASP 979 7.053 10.755 -0.361 164 HA ASP 979 HA ASP 979 7.911 10.212 -3.121 165 1HB ASP 979 2HB ASP 979 9.294 12.023 -2.067 166 2HB ASP 979 1HB ASP 979 9.787 10.859 -0.842 167 H ILE 980 H ILE 980 7.011 9.044 -0.162 168 HA ILE 980 HA ILE 980 7.141 7.002 0.875 169 HB ILE 980 HB ILE 980 6.565 5.123 -0.611 170 1HG1 ILE 980 2HG1 ILE 980 6.861 7.136 -2.854 171 2HG1 ILE 980 1HG1 ILE 980 7.970 5.803 -2.545 172 1HG2 ILE 980 1HG2 ILE 980 4.444 6.053 -1.425 173 2HG2 ILE 980 2HG2 ILE 980 5.067 7.681 -1.152 174 3HG2 ILE 980 3HG2 ILE 980 4.823 6.589 0.212 175 1HD1 ILE 980 1HD1 ILE 980 6.439 5.279 -4.351 176 2HD1 ILE 980 2HD1 ILE 980 5.065 5.539 -3.277 177 3HD1 ILE 980 3HD1 ILE 980 6.181 4.208 -2.975 178 H GLN 981 H GLN 981 9.658 7.920 0.805 179 HA GLN 981 HA GLN 981 11.517 6.105 -0.360 180 1HB GLN 981 2HB GLN 981 11.948 7.887 2.041 181 2HB GLN 981 1HB GLN 981 13.178 7.234 0.968 182 1HG GLN 981 2HG GLN 981 12.460 8.618 -0.826 183 2HG GLN 981 1HG GLN 981 11.030 9.132 0.067 184 1HE2 GLN 981 1HE2 GLN 981 11.525 11.292 -0.056 185 2HE2 GLN 981 2HE2 GLN 981 12.829 12.008 0.823 186 H VAL 982 H VAL 982 13.230 5.344 1.602 187 HA VAL 982 HA VAL 982 12.006 3.036 2.678 188 HB VAL 982 HB VAL 982 14.630 4.287 3.500 189 1HG1 VAL 982 1HG1 VAL 982 13.826 2.619 5.085 190 2HG1 VAL 982 2HG1 VAL 982 15.228 2.017 4.201 191 3HG1 VAL 982 3HG1 VAL 982 13.610 1.461 3.774 192 1HG2 VAL 982 1HG2 VAL 982 14.554 3.904 1.099 193 2HG2 VAL 982 2HG2 VAL 982 14.039 2.239 1.368 194 3HG2 VAL 982 3HG2 VAL 982 15.646 2.757 1.877 195 H GLY 983 H GLY 983 11.014 2.667 4.566 196 1HA GLY 983 1HA GLY 983 10.557 2.965 6.856 197 2HA GLY 983 2HA GLY 983 11.377 4.519 6.795 198 H SER 984 H SER 984 9.621 4.826 4.191 199 HA SER 984 HA SER 984 7.673 6.493 5.396 200 1HB SER 984 1HB SER 984 7.817 5.423 2.567 201 2HB SER 984 2HB SER 984 6.768 6.734 3.106 202 HG SER 984 HG SER 984 8.598 7.653 2.255 203 H ARG 985 H ARG 985 5.341 6.291 5.213 204 HA ARG 985 HA ARG 985 4.353 3.538 5.059 205 1HB ARG 985 1HB ARG 985 4.844 3.933 7.420 206 2HB ARG 985 2HB ARG 985 3.881 5.403 7.392 207 1HG ARG 985 2HG ARG 985 1.879 4.070 6.911 208 2HG ARG 985 1HG ARG 985 2.856 2.601 6.982 209 1HD ARG 985 1HD ARG 985 2.433 4.562 9.234 210 2HD ARG 985 2HD ARG 985 1.672 2.979 9.083 211 HE ARG 985 HE ARG 985 4.416 2.578 8.978 212 1HH1 ARG 985 1HH1 ARG 985 2.054 3.767 11.247 213 2HH1 ARG 985 2HH1 ARG 985 2.952 3.267 12.641 214 1HH2 ARG 985 1HH2 ARG 985 5.604 1.916 10.808 215 2HH2 ARG 985 2HH2 ARG 985 4.970 2.215 12.391 216 H ILE 986 H ILE 986 2.784 3.566 3.601 217 HA ILE 986 HA ILE 986 1.024 5.911 3.421 218 HB ILE 986 HB ILE 986 0.260 4.943 1.274 219 1HG1 ILE 986 2HG1 ILE 986 2.473 2.927 1.728 220 2HG1 ILE 986 1HG1 ILE 986 0.750 2.574 1.836 221 1HG2 ILE 986 1HG2 ILE 986 2.309 5.420 0.017 222 2HG2 ILE 986 2HG2 ILE 986 3.245 5.314 1.509 223 3HG2 ILE 986 3HG2 ILE 986 2.048 6.593 1.308 224 1HD1 ILE 986 1HD1 ILE 986 0.489 3.133 -0.524 225 2HD1 ILE 986 2HD1 ILE 986 1.665 1.841 -0.284 226 3HD1 ILE 986 3HD1 ILE 986 2.214 3.482 -0.630 227 H THR 987 H THR 987 -1.297 5.170 2.630 228 HA THR 987 HA THR 987 -2.210 2.955 4.333 229 HB THR 987 HB THR 987 -4.112 4.313 5.119 230 HG1 THR 987 1HG THR 987 -4.324 5.915 3.620 231 1HG2 THR 987 1HG2 THR 987 -2.865 5.734 6.688 232 2HG2 THR 987 2HG2 THR 987 -1.413 5.537 5.707 233 3HG2 THR 987 3HG2 THR 987 -2.121 4.143 6.523 234 H TYR 988 H TYR 988 -3.903 1.790 3.553 235 HA TYR 988 HA TYR 988 -4.897 2.527 0.890 236 1HB TYR 988 2HB TYR 988 -5.028 -0.137 2.321 237 2HB TYR 988 1HB TYR 988 -5.548 0.174 0.668 238 HD1 TYR 988 1HD TYR 988 -3.926 0.464 -1.115 239 HD2 TYR 988 2HD TYR 988 -2.665 -0.263 2.883 240 HE1 TYR 988 1HE TYR 988 -1.664 -0.054 -1.929 241 HE2 TYR 988 2HE TYR 988 -0.401 -0.784 2.079 242 HH TYR 988 HH TYR 988 0.689 -1.538 0.005 243 H SER 989 H SER 989 -7.107 2.553 0.426 244 HA SER 989 HA SER 989 -9.027 2.120 2.549 245 1HB SER 989 2HB SER 989 -8.611 4.882 1.383 246 2HB SER 989 1HB SER 989 -9.936 4.416 2.449 247 HG SER 989 HG SER 989 -8.389 5.295 3.743 248 H CYS 990 H CYS 990 -10.958 1.511 1.768 249 HA CYS 990 HA CYS 990 -11.402 1.558 -1.106 250 1HB CYS 990 1HB CYS 990 -11.899 -0.453 0.363 251 2HB CYS 990 2HB CYS 990 -13.244 0.467 1.027 252 H THR 991 H THR 991 -13.857 2.027 -1.685 253 HA THR 991 HA THR 991 -14.216 4.772 -1.423 254 HB THR 991 HB THR 991 -16.610 4.204 -2.214 255 HG1 THR 991 1HG THR 991 -15.333 1.672 -2.269 256 1HG2 THR 991 1HG2 THR 991 -14.856 5.028 -3.696 257 2HG2 THR 991 2HG2 THR 991 -15.809 3.777 -4.494 258 3HG2 THR 991 3HG2 THR 991 -14.212 3.394 -3.853 259 H THR 992 H THR 992 -16.867 2.694 -0.490 260 HA THR 992 HA THR 992 -17.545 4.393 1.729 261 HB THR 992 HB THR 992 -18.769 1.699 1.134 262 HG1 THR 992 1HG THR 992 -19.813 2.556 -0.524 263 1HG2 THR 992 1HG2 THR 992 -20.780 2.740 2.088 264 2HG2 THR 992 2HG2 THR 992 -19.872 4.226 2.370 265 3HG2 THR 992 3HG2 THR 992 -19.440 2.750 3.235 266 H GLY 993 H GLY 993 -18.052 3.343 3.907 267 1HA GLY 993 2HA GLY 993 -15.755 2.374 5.124 268 2HA GLY 993 1HA GLY 993 -17.375 2.207 5.783 269 H HIS 994 H HIS 994 -14.765 0.641 4.177 270 HA HIS 994 HA HIS 994 -16.205 -1.917 4.330 271 1HB HIS 994 1HB HIS 994 -14.478 -1.001 2.021 272 2HB HIS 994 2HB HIS 994 -15.178 -2.608 2.194 273 HD1 HIS 994 1HD HIS 994 -18.033 -1.721 3.087 274 HD2 HIS 994 2HD HIS 994 -15.938 -0.140 -0.135 275 HE1 HIS 994 1HE HIS 994 -19.781 -0.767 1.552 276 HE2 HIS 994 2HE HIS 994 -18.488 0.232 -0.366 277 H ARG 995 H ARG 995 -14.744 -3.804 4.325 278 HA ARG 995 HA ARG 995 -12.477 -3.218 6.060 279 1HB ARG 995 1HB ARG 995 -13.763 -5.861 5.350 280 2HB ARG 995 2HB ARG 995 -12.514 -5.622 6.565 281 1HG ARG 995 1HG ARG 995 -14.027 -4.231 7.869 282 2HG ARG 995 2HG ARG 995 -15.279 -4.430 6.640 283 1HD ARG 995 2HD ARG 995 -15.279 -6.847 7.040 284 2HD ARG 995 1HD ARG 995 -14.037 -6.640 8.274 285 HE ARG 995 HE ARG 995 -16.123 -5.002 9.018 286 1HH1 ARG 995 1HH1 ARG 995 -15.654 -8.407 8.448 287 2HH1 ARG 995 2HH1 ARG 995 -16.863 -8.896 9.588 288 1HH2 ARG 995 1HH2 ARG 995 -17.715 -5.636 10.522 289 2HH2 ARG 995 2HH2 ARG 995 -18.034 -7.320 10.767 290 H LEU 996 H LEU 996 -10.376 -3.745 5.626 291 HA LEU 996 HA LEU 996 -9.755 -4.299 2.833 292 1HB LEU 996 1HB LEU 996 -8.665 -2.438 4.162 293 2HB LEU 996 2HB LEU 996 -7.824 -3.684 5.063 294 HG LEU 996 HG LEU 996 -6.847 -4.483 2.889 295 1HD1 LEU 996 1HD1 LEU 996 -8.487 -3.542 1.371 296 2HD1 LEU 996 2HD1 LEU 996 -6.880 -2.915 1.002 297 3HD1 LEU 996 3HD1 LEU 996 -8.040 -1.910 1.869 298 1HD2 LEU 996 1HD2 LEU 996 -5.191 -2.691 2.755 299 2HD2 LEU 996 2HD2 LEU 996 -5.570 -3.100 4.429 300 3HD2 LEU 996 3HD2 LEU 996 -6.249 -1.643 3.701 301 H ILE 997 H ILE 997 -9.068 -6.213 2.109 302 HA ILE 997 HA ILE 997 -8.641 -8.398 3.955 303 HB ILE 997 HB ILE 997 -8.407 -8.332 0.940 304 1HG1 ILE 997 1HG1 ILE 997 -10.579 -9.722 1.204 305 2HG1 ILE 997 2HG1 ILE 997 -10.650 -9.031 2.822 306 1HG2 ILE 997 1HG2 ILE 997 -8.490 -10.780 1.082 307 2HG2 ILE 997 2HG2 ILE 997 -8.459 -10.672 2.843 308 3HG2 ILE 997 3HG2 ILE 997 -7.072 -10.122 1.900 309 1HD1 ILE 997 1HD1 ILE 997 -10.694 -6.791 1.871 310 2HD1 ILE 997 2HD1 ILE 997 -12.024 -7.781 1.265 311 3HD1 ILE 997 3HD1 ILE 997 -10.615 -7.477 0.249 312 H GLY 998 H GLY 998 -6.770 -7.753 5.068 313 1HA GLY 998 2HA GLY 998 -4.329 -8.612 4.572 314 2HA GLY 998 1HA GLY 998 -4.361 -7.222 3.498 315 H HIS 999 H HIS 999 -3.768 -5.317 4.301 316 HA HIS 999 HA HIS 999 -4.210 -4.658 7.081 317 1HB HIS 999 2HB HIS 999 -2.018 -5.931 6.993 318 2HB HIS 999 1HB HIS 999 -1.379 -4.603 6.031 319 HD1 HIS 999 1HD HIS 999 0.303 -4.601 8.213 320 HD2 HIS 999 2HD HIS 999 -3.554 -3.154 8.757 321 HE1 HIS 999 1HE HIS 999 0.389 -3.236 10.323 322 HE2 HIS 999 2HE HIS 999 -1.974 -2.439 10.676 323 H SER1000 H SER1000 -4.686 -2.557 7.254 324 HA SER1000 HA SER1000 -4.615 -0.926 4.885 325 1HB SER1000 2HB SER1000 -5.830 0.726 6.267 326 2HB SER1000 1HB SER1000 -6.574 -0.871 6.344 327 HG SER1000 HG SER1000 -4.671 -0.470 8.267 328 H SER1001 H SER1001 -2.023 -1.533 5.720 329 HA SER1001 HA SER1001 -0.841 1.013 5.629 330 1HB SER1001 2HB SER1001 0.264 1.076 7.830 331 2HB SER1001 1HB SER1001 -1.491 1.139 7.994 332 HG SER1001 HG SER1001 0.266 -0.722 8.904 333 H ALA1002 H ALA1002 1.436 0.923 5.369 334 HA ALA1002 HA ALA1002 2.710 -1.697 5.453 335 1HB ALA1002 1HB ALA1002 2.598 -0.078 2.912 336 2HB ALA1002 2HB ALA1002 1.703 -1.566 3.217 337 3HB ALA1002 3HB ALA1002 3.465 -1.595 3.149 338 H GLU1003 H GLU1003 5.078 -1.506 4.843 339 HA GLU1003 HA GLU1003 6.193 1.148 5.344 340 1HB GLU1003 1HB GLU1003 6.013 0.068 7.549 341 2HB GLU1003 2HB GLU1003 6.941 -1.301 6.953 342 1HG GLU1003 2HG GLU1003 8.869 0.148 6.602 343 2HG GLU1003 1HG GLU1003 7.940 1.528 7.183 344 H CYS1004 H CYS1004 8.033 1.541 4.234 345 HA CYS1004 HA CYS1004 8.801 -0.210 2.164 346 1HB CYS1004 2HB CYS1004 9.715 2.414 3.212 347 2HB CYS1004 1HB CYS1004 10.851 1.512 2.221 348 H ILE1005 H ILE1005 9.666 -2.134 2.680 349 HA ILE1005 HA ILE1005 12.089 -2.105 4.360 350 HB ILE1005 HB ILE1005 11.595 -4.494 4.892 351 1HG1 ILE1005 2HG1 ILE1005 8.858 -3.851 3.771 352 2HG1 ILE1005 1HG1 ILE1005 10.049 -4.867 2.965 353 1HG2 ILE1005 1HG2 ILE1005 11.117 -2.727 6.487 354 2HG2 ILE1005 2HG2 ILE1005 9.888 -3.989 6.580 355 3HG2 ILE1005 3HG2 ILE1005 9.533 -2.471 5.755 356 1HD1 ILE1005 1HD1 ILE1005 8.771 -5.428 5.630 357 2HD1 ILE1005 2HD1 ILE1005 9.962 -6.445 4.819 358 3HD1 ILE1005 3HD1 ILE1005 8.372 -6.202 4.096 359 H LEU1006 H LEU1006 13.901 -2.691 3.371 360 HA LEU1006 HA LEU1006 13.805 -3.680 0.658 361 1HB LEU1006 1HB LEU1006 16.174 -3.074 2.431 362 2HB LEU1006 2HB LEU1006 16.251 -3.435 0.717 363 HG LEU1006 HG LEU1006 14.733 -1.362 0.425 364 1HD1 LEU1006 1HD2 LEU1006 14.144 -1.084 2.772 365 2HD1 LEU1006 2HD2 LEU1006 14.996 0.336 2.164 366 3HD1 LEU1006 3HD2 LEU1006 15.842 -0.834 3.178 367 1HD2 LEU1006 1HD1 LEU1006 17.060 -1.474 -0.297 368 2HD2 LEU1006 2HD1 LEU1006 17.593 -1.062 1.333 369 3HD2 LEU1006 3HD1 LEU1006 16.682 0.110 0.380 370 H SER1007 H SER1007 14.106 -5.716 0.008 371 HA SER1007 HA SER1007 14.702 -7.735 2.046 372 1HB SER1007 2HB SER1007 13.773 -9.355 0.426 373 2HB SER1007 1HB SER1007 12.626 -8.066 0.790 374 HG SER1007 HG SER1007 12.942 -7.203 -1.178 375 H GLY1008 H GLY1008 16.602 -5.946 0.405 376 1HA GLY1008 1HA GLY1008 18.916 -7.119 0.382 377 2HA GLY1008 2HA GLY1008 18.176 -8.052 -0.909 378 H ASN1009 H ASN1009 18.104 -7.229 -2.934 379 HA ASN1009 HA ASN1009 19.468 -4.674 -3.346 380 1HB ASN1009 2HB ASN1009 20.286 -6.683 -4.554 381 2HB ASN1009 1HB ASN1009 18.728 -6.806 -5.363 382 1HD2 ASN1009 2HD2 ASN1009 19.632 -6.563 -7.391 383 2HD2 ASN1009 1HD2 ASN1009 20.242 -5.050 -7.958 384 H THR1010 H THR1010 16.371 -5.773 -3.044 385 HA THR1010 HA THR1010 15.329 -3.564 -4.687 386 HB THR1010 HB THR1010 14.771 -5.623 -5.839 387 HG1 THR1010 1HG THR1010 12.311 -5.094 -4.655 388 1HG2 THR1010 1HG2 THR1010 14.929 -7.174 -3.958 389 2HG2 THR1010 2HG2 THR1010 13.376 -7.344 -4.777 390 3HG2 THR1010 3HG2 THR1010 13.476 -6.475 -3.246 391 H ALA1011 H ALA1011 13.359 -2.608 -3.930 392 HA ALA1011 HA ALA1011 12.796 -3.126 -1.084 393 1HB ALA1011 1HB ALA1011 12.457 -0.738 -0.747 394 2HB ALA1011 2HB ALA1011 12.852 -0.430 -2.438 395 3HB ALA1011 3HB ALA1011 14.085 -1.059 -1.344 396 H HIS1012 H HIS1012 10.708 -3.362 -0.534 397 HA HIS1012 HA HIS1012 8.610 -2.404 -2.316 398 1HB HIS1012 2HB HIS1012 7.486 -4.600 -2.349 399 2HB HIS1012 1HB HIS1012 9.058 -4.656 -3.139 400 HD1 HIS1012 1HD HIS1012 7.104 -6.171 -0.427 401 HD2 HIS1012 2HD HIS1012 11.090 -5.994 -1.585 402 HE1 HIS1012 1HE HIS1012 8.257 -8.004 0.852 403 HE2 HIS1012 2HE HIS1012 10.650 -7.936 0.066 404 H TRP1013 H TRP1013 6.398 -3.352 -1.233 405 HA TRP1013 HA TRP1013 6.455 -2.175 1.434 406 1HB TRP1013 2HB TRP1013 4.101 -2.954 -0.300 407 2HB TRP1013 1HB TRP1013 4.016 -2.057 1.214 408 HD1 TRP1013 HD TRP1013 4.505 -1.590 -2.471 409 HE1 TRP1013 1HE TRP1013 4.888 0.902 -2.990 410 HE3 TRP1013 3HE TRP1013 5.195 0.136 2.293 411 HZ2 TRP1013 2HZ TRP1013 5.409 3.284 -1.569 412 HZ3 TRP1013 3HZ TRP1013 5.631 2.535 2.626 413 HH2 TRP1013 HH TRP1013 5.737 4.074 0.735 414 H SER1014 H SER1014 5.356 -3.158 3.223 415 HA SER1014 HA SER1014 5.761 -6.047 3.234 416 1HB SER1014 2HB SER1014 6.830 -4.686 4.996 417 2HB SER1014 1HB SER1014 5.239 -4.149 5.535 418 HG SER1014 HG SER1014 5.941 -5.887 6.793 419 H THR1015 H THR1015 3.438 -4.975 1.892 420 HA THR1015 HA THR1015 1.368 -6.315 3.494 421 HB THR1015 HB THR1015 0.944 -3.919 3.674 422 HG1 THR1015 1HG THR1015 -1.006 -4.788 3.614 423 1HG2 THR1015 1HG2 THR1015 0.822 -3.950 0.656 424 2HG2 THR1015 2HG2 THR1015 2.069 -3.175 1.634 425 3HG2 THR1015 3HG2 THR1015 0.409 -2.582 1.690 426 H LYS1016 H LYS1016 0.009 -7.646 2.395 427 HA LYS1016 HA LYS1016 0.687 -8.408 -0.282 428 1HB LYS1016 2HB LYS1016 -1.203 -9.994 -0.037 429 2HB LYS1016 1HB LYS1016 -0.058 -10.090 1.293 430 1HG LYS1016 2HG LYS1016 -1.993 -8.210 2.066 431 2HG LYS1016 1HG LYS1016 -2.870 -9.567 1.355 432 1HD LYS1016 2HD LYS1016 -2.612 -9.982 3.702 433 2HD LYS1016 1HD LYS1016 -1.564 -11.096 2.824 434 1HE LYS1016 2HE LYS1016 -0.390 -10.194 4.738 435 2HE LYS1016 1HE LYS1016 0.345 -9.605 3.247 436 1HZ LYS1016 1HZ LYS1016 -0.861 -7.525 3.521 437 2HZ LYS1016 2HZ LYS1016 0.114 -7.835 4.868 438 3HZ LYS1016 3HZ LYS1016 -1.556 -8.091 4.956 439 HA PRO1017 HA PRO1017 -1.932 -6.016 -2.889 440 1HB PRO1017 2HB PRO1017 -3.521 -8.044 -4.025 441 2HB PRO1017 1HB PRO1017 -2.004 -7.413 -4.668 442 1HG PRO1017 1HG PRO1017 -2.506 -9.861 -3.051 443 2HG PRO1017 2HG PRO1017 -1.316 -9.583 -4.336 444 1HD PRO1017 2HD PRO1017 -0.588 -9.646 -1.763 445 2HD PRO1017 1HD PRO1017 0.163 -8.506 -2.902 446 HA PRO1018 HA PRO1018 -5.295 -5.844 0.117 447 1HB PRO1018 2HB PRO1018 -5.914 -3.237 -0.264 448 2HB PRO1018 1HB PRO1018 -4.514 -3.756 0.682 449 1HG PRO1018 2HG PRO1018 -4.639 -2.816 -2.160 450 2HG PRO1018 1HG PRO1018 -3.472 -2.392 -0.893 451 1HD PRO1018 2HD PRO1018 -2.937 -4.223 -2.818 452 2HD PRO1018 1HD PRO1018 -2.267 -4.336 -1.178 453 H ILE1019 H ILE1019 -7.498 -5.960 -0.004 454 HA ILE1019 HA ILE1019 -8.778 -5.301 -2.571 455 HB ILE1019 HB ILE1019 -9.578 -7.721 -0.969 456 1HG1 ILE1019 2HG1 ILE1019 -7.715 -7.673 -3.356 457 2HG1 ILE1019 1HG1 ILE1019 -7.210 -7.957 -1.693 458 1HG2 ILE1019 1HG2 ILE1019 -10.059 -6.912 -3.834 459 2HG2 ILE1019 2HG2 ILE1019 -11.231 -6.831 -2.519 460 3HG2 ILE1019 3HG2 ILE1019 -10.634 -8.395 -3.074 461 1HD1 ILE1019 1HD1 ILE1019 -9.080 -9.696 -3.283 462 2HD1 ILE1019 2HD1 ILE1019 -8.561 -9.981 -1.622 463 3HD1 ILE1019 3HD1 ILE1019 -7.384 -10.034 -2.935 464 H CYS1020 H CYS1020 -11.181 -5.132 -2.356 465 HA CYS1020 HA CYS1020 -11.858 -3.896 0.224 466 1HB CYS1020 2HB CYS1020 -11.986 -2.447 -1.790 467 2HB CYS1020 1HB CYS1020 -13.200 -3.530 -2.463 468 H GLN1021 H GLN1021 -13.255 -4.887 1.517 469 HA GLN1021 HA GLN1021 -14.389 -7.398 0.681 470 1HB GLN1021 1HB GLN1021 -13.335 -6.748 2.978 471 2HB GLN1021 2HB GLN1021 -14.928 -6.097 3.333 472 1HG GLN1021 1HG GLN1021 -14.398 -8.942 2.511 473 2HG GLN1021 2HG GLN1021 -14.558 -8.393 4.178 474 1HE2 GLN1021 2HE2 GLN1021 -16.579 -7.677 4.917 475 2HE2 GLN1021 1HE2 GLN1021 -18.041 -8.115 4.107 476 H ARG1022 H ARG1022 -15.643 -4.279 1.812 477 HA ARG1022 HA ARG1022 -17.657 -3.261 1.576 478 1HB ARG1022 1HB ARG1022 -17.411 -3.759 -0.806 479 2HB ARG1022 2HB ARG1022 -18.114 -5.352 -0.557 480 1HG ARG1022 1HG ARG1022 -20.225 -4.341 0.097 481 2HG ARG1022 2HG ARG1022 -19.526 -2.731 -0.099 482 1HD ARG1022 2HD ARG1022 -20.864 -3.353 -2.038 483 2HD ARG1022 1HD ARG1022 -19.165 -3.165 -2.469 484 HE ARG1022 HE ARG1022 -19.696 -5.863 -1.858 485 1HH1 ARG1022 1HH1 ARG1022 -20.328 -3.468 -4.309 486 2HH1 ARG1022 2HH1 ARG1022 -20.464 -4.629 -5.589 487 1HH2 ARG1022 1HH2 ARG1022 -19.872 -7.395 -3.536 488 2HH2 ARG1022 2HH2 ARG1022 -20.205 -6.860 -5.149 489 H ILE1023 H ILE1023 -18.953 -3.434 3.259 490 HA ILE1023 HA ILE1023 -20.183 -6.026 3.866 491 HB ILE1023 HB ILE1023 -20.688 -4.773 6.086 492 1HG1 ILE1023 1HG1 ILE1023 -18.321 -3.192 5.071 493 2HG1 ILE1023 2HG1 ILE1023 -19.954 -2.562 5.258 494 1HG2 ILE1023 1HG2 ILE1023 -19.236 -6.708 5.909 495 2HG2 ILE1023 2HG2 ILE1023 -18.535 -5.516 7.003 496 3HG2 ILE1023 3HG2 ILE1023 -17.909 -5.681 5.363 497 1HD1 ILE1023 1HD1 ILE1023 -18.528 -1.884 7.099 498 2HD1 ILE1023 2HD1 ILE1023 -18.194 -3.575 7.477 499 3HD1 ILE1023 3HD1 ILE1023 -19.827 -2.936 7.662 500 HA PRO1024 HA PRO1024 -23.870 -3.924 2.277 501 1HB PRO1024 1HB PRO1024 -25.444 -6.146 2.286 502 2HB PRO1024 2HB PRO1024 -24.292 -5.782 0.997 503 1HG PRO1024 2HG PRO1024 -23.997 -7.624 3.339 504 2HG PRO1024 1HG PRO1024 -23.530 -7.882 1.648 505 1HD PRO1024 1HD PRO1024 -21.740 -7.186 3.547 506 2HD PRO1024 2HD PRO1024 -21.592 -6.645 1.864 Start of MODEL 15 1 1H GLU 957 1HT GLU 957 24.780 6.958 -9.549 2 2H GLU 957 2HT GLU 957 23.402 6.076 -9.119 3 3H GLU 957 3HT GLU 957 24.756 5.277 -9.744 4 HA GLU 957 HA GLU 957 26.056 5.864 -7.824 5 1HB GLU 957 2HB GLU 957 24.917 7.993 -7.345 6 2HB GLU 957 1HB GLU 957 23.484 7.113 -6.836 7 1HG GLU 957 2HG GLU 957 24.747 7.869 -4.920 8 2HG GLU 957 1HG GLU 957 24.748 6.108 -5.004 9 H ALA 958 H ALA 958 22.603 5.025 -7.662 10 HA ALA 958 HA ALA 958 23.298 2.362 -6.737 11 1HB ALA 958 1HB ALA 958 23.158 3.649 -4.657 12 2HB ALA 958 2HB ALA 958 21.867 2.452 -4.769 13 3HB ALA 958 3HB ALA 958 21.522 4.154 -5.081 14 H GLU 959 H GLU 959 21.221 1.035 -6.432 15 HA GLU 959 HA GLU 959 19.127 1.924 -8.290 16 1HB GLU 959 1HB GLU 959 19.053 -0.483 -9.126 17 2HB GLU 959 2HB GLU 959 20.402 0.505 -9.671 18 1HG GLU 959 2HG GLU 959 21.239 -1.650 -9.125 19 2HG GLU 959 1HG GLU 959 21.795 -0.524 -7.889 20 H ALA 960 H ALA 960 19.507 1.520 -5.287 21 HA ALA 960 HA ALA 960 17.330 -0.397 -4.809 22 1HB ALA 960 1HB ALA 960 18.046 -0.395 -2.481 23 2HB ALA 960 2HB ALA 960 19.258 0.834 -2.841 24 3HB ALA 960 3HB ALA 960 19.396 -0.776 -3.548 25 H LYS 961 H LYS 961 16.341 0.478 -2.434 26 HA LYS 961 HA LYS 961 14.886 1.919 -1.449 27 1HB LYS 961 2HB LYS 961 16.880 3.439 -1.543 28 2HB LYS 961 1HB LYS 961 16.259 4.078 -3.058 29 1HG LYS 961 1HG LYS 961 14.240 4.843 -1.904 30 2HG LYS 961 2HG LYS 961 14.880 4.215 -0.384 31 1HD LYS 961 2HD LYS 961 16.380 6.229 -2.034 32 2HD LYS 961 1HD LYS 961 15.174 6.711 -0.840 33 1HE LYS 961 2HE LYS 961 17.317 6.807 0.206 34 2HE LYS 961 1HE LYS 961 16.451 5.422 0.869 35 1HZ LYS 961 1HZ LYS 961 18.459 5.240 -1.310 36 2HZ LYS 961 2HZ LYS 961 17.721 3.952 -0.498 37 3HZ LYS 961 3HZ LYS 961 18.800 4.962 0.323 38 H SER 962 H SER 962 13.069 3.473 -1.921 39 HA SER 962 HA SER 962 11.184 4.027 -3.058 40 1HB SER 962 1HB SER 962 12.968 3.756 -5.490 41 2HB SER 962 2HB SER 962 11.374 4.510 -5.473 42 HG SER 962 HG SER 962 12.590 6.220 -5.116 43 H CYS 963 H CYS 963 9.957 2.252 -2.541 44 HA CYS 963 HA CYS 963 10.089 -0.201 -4.010 45 1HB CYS 963 2HB CYS 963 8.085 0.909 -2.044 46 2HB CYS 963 1HB CYS 963 7.903 -0.671 -2.800 47 H LYS 964 H LYS 964 8.013 -1.077 -5.027 48 HA LYS 964 HA LYS 964 7.300 0.698 -7.174 49 1HB LYS 964 2HB LYS 964 6.482 -2.140 -6.537 50 2HB LYS 964 1HB LYS 964 5.953 -1.272 -7.971 51 1HG LYS 964 2HG LYS 964 7.754 -2.614 -8.654 52 2HG LYS 964 1HG LYS 964 8.396 -0.975 -8.540 53 1HD LYS 964 1HD LYS 964 9.341 -1.489 -6.348 54 2HD LYS 964 2HD LYS 964 8.685 -3.125 -6.443 55 1HE LYS 964 1HE LYS 964 10.725 -1.920 -8.310 56 2HE LYS 964 2HE LYS 964 11.056 -3.084 -7.027 57 1HZ LYS 964 1HZ LYS 964 9.653 -4.687 -8.171 58 2HZ LYS 964 2HZ LYS 964 10.910 -4.167 -9.176 59 3HZ LYS 964 3HZ LYS 964 9.344 -3.570 -9.404 60 H THR 965 H THR 965 5.800 2.205 -6.889 61 HA THR 965 HA THR 965 3.879 2.255 -4.860 62 HB THR 965 HB THR 965 2.820 4.085 -6.086 63 HG1 THR 965 1HG THR 965 3.050 3.166 -8.208 64 1HG2 THR 965 1HG2 THR 965 5.834 4.178 -6.259 65 2HG2 THR 965 2HG2 THR 965 4.868 4.564 -4.836 66 3HG2 THR 965 3HG2 THR 965 4.758 5.575 -6.277 67 HA PRO 966 HA PRO 966 0.791 -0.622 -6.246 68 1HB PRO 966 2HB PRO 966 -1.092 1.171 -4.821 69 2HB PRO 966 1HB PRO 966 -0.794 -0.555 -4.597 70 1HG PRO 966 2HG PRO 966 0.088 1.231 -2.821 71 2HG PRO 966 1HG PRO 966 1.053 -0.197 -3.244 72 1HD PRO 966 1HD PRO 966 1.374 2.642 -4.137 73 2HD PRO 966 2HD PRO 966 2.616 1.448 -3.707 74 HA PRO 967 HA PRO 967 -0.636 1.922 -9.714 75 1HB PRO 967 1HB PRO 967 -1.132 -0.130 -11.395 76 2HB PRO 967 2HB PRO 967 0.505 0.458 -11.082 77 1HG PRO 967 2HG PRO 967 -0.915 -1.911 -9.921 78 2HG PRO 967 1HG PRO 967 0.754 -1.786 -10.509 79 1HD PRO 967 2HD PRO 967 0.093 -1.665 -7.871 80 2HD PRO 967 1HD PRO 967 1.501 -0.830 -8.556 81 H ASP 968 H ASP 968 -2.474 2.254 -8.078 82 HA ASP 968 HA ASP 968 -4.674 2.229 -7.508 83 1HB ASP 968 1HB ASP 968 -4.964 3.187 -9.681 84 2HB ASP 968 2HB ASP 968 -4.833 1.612 -10.456 85 HA PRO 969 HA PRO 969 -4.949 -2.288 -6.661 86 1HB PRO 969 2HB PRO 969 -6.344 -1.173 -4.304 87 2HB PRO 969 1HB PRO 969 -5.036 -2.357 -4.381 88 1HG PRO 969 2HG PRO 969 -4.592 0.140 -3.539 89 2HG PRO 969 1HG PRO 969 -3.394 -0.728 -4.518 90 1HD PRO 969 1HD PRO 969 -5.343 1.391 -5.344 91 2HD PRO 969 2HD PRO 969 -3.648 1.168 -5.826 92 H VAL 970 H VAL 970 -7.223 -2.964 -5.156 93 HA VAL 970 HA VAL 970 -9.259 -3.178 -7.040 94 HB VAL 970 HB VAL 970 -8.917 -4.442 -4.810 95 1HG1 VAL 970 1HG1 VAL 970 -10.645 -2.169 -3.846 96 2HG1 VAL 970 2HG1 VAL 970 -8.999 -2.529 -3.323 97 3HG1 VAL 970 3HG1 VAL 970 -10.309 -3.651 -2.952 98 1HG2 VAL 970 1HG2 VAL 970 -11.261 -5.091 -4.731 99 2HG2 VAL 970 2HG2 VAL 970 -10.707 -4.923 -6.398 100 3HG2 VAL 970 3HG2 VAL 970 -11.698 -3.662 -5.665 101 H ASN 971 H ASN 971 -11.644 -2.362 -6.078 102 HA ASN 971 HA ASN 971 -12.041 0.110 -7.095 103 1HB ASN 971 1HB ASN 971 -13.561 -0.957 -4.708 104 2HB ASN 971 2HB ASN 971 -14.143 0.208 -5.894 105 1HD2 ASN 971 1HD2 ASN 971 -13.466 -3.117 -5.235 106 2HD2 ASN 971 2HD2 ASN 971 -14.236 -3.769 -6.638 107 H GLY 972 H GLY 972 -10.925 -0.626 -3.851 108 1HA GLY 972 1HA GLY 972 -11.132 2.026 -2.829 109 2HA GLY 972 2HA GLY 972 -10.149 0.733 -2.162 110 H MET 973 H MET 973 -10.103 3.694 -3.698 111 HA MET 973 HA MET 973 -7.741 3.490 -5.240 112 1HB MET 973 1HB MET 973 -7.751 5.910 -5.280 113 2HB MET 973 2HB MET 973 -9.392 5.318 -5.490 114 1HG MET 973 1HG MET 973 -8.296 6.236 -2.847 115 2HG MET 973 2HG MET 973 -9.124 7.302 -3.980 116 1HE MET 973 1HE MET 973 -10.875 7.986 -2.133 117 2HE MET 973 2HE MET 973 -10.071 6.941 -0.962 118 3HE MET 973 3HE MET 973 -11.816 6.830 -1.190 119 H VAL 974 H VAL 974 -5.622 4.070 -4.775 120 HA VAL 974 HA VAL 974 -4.903 3.859 -1.949 121 HB VAL 974 HB VAL 974 -3.779 2.345 -3.515 122 1HG1 VAL 974 1HG1 VAL 974 -2.673 4.860 -4.759 123 2HG1 VAL 974 2HG1 VAL 974 -3.817 3.745 -5.504 124 3HG1 VAL 974 3HG1 VAL 974 -2.172 3.215 -5.150 125 1HG2 VAL 974 1HG2 VAL 974 -1.940 4.417 -2.323 126 2HG2 VAL 974 2HG2 VAL 974 -1.465 2.796 -2.830 127 3HG2 VAL 974 3HG2 VAL 974 -2.600 3.006 -1.497 128 H HIS 975 H HIS 975 -3.458 5.318 -0.941 129 HA HIS 975 HA HIS 975 -3.283 7.951 -2.251 130 1HB HIS 975 2HB HIS 975 -3.948 7.394 0.647 131 2HB HIS 975 1HB HIS 975 -3.699 8.992 -0.047 132 HD1 HIS 975 1HD HIS 975 -5.645 10.053 -1.265 133 HD2 HIS 975 2HD HIS 975 -6.353 6.099 -0.203 134 HE1 HIS 975 1HE HIS 975 -8.089 9.665 -1.710 135 HE2 HIS 975 2HE HIS 975 -8.513 7.294 -0.972 136 H VAL 976 H VAL 976 -1.503 9.250 -1.706 137 HA VAL 976 HA VAL 976 0.713 7.813 -0.401 138 HB VAL 976 HB VAL 976 0.842 10.056 -2.425 139 1HG1 VAL 976 1HG2 VAL 976 2.676 10.199 -0.835 140 2HG1 VAL 976 2HG2 VAL 976 3.265 9.660 -2.407 141 3HG1 VAL 976 3HG2 VAL 976 3.057 8.497 -1.098 142 1HG2 VAL 976 1HG1 VAL 976 1.549 7.135 -2.674 143 2HG2 VAL 976 2HG1 VAL 976 1.803 8.364 -3.912 144 3HG2 VAL 976 3HG1 VAL 976 0.165 7.937 -3.416 145 H ILE 977 H ILE 977 1.148 8.495 1.582 146 HA ILE 977 HA ILE 977 -0.012 10.802 2.718 147 HB ILE 977 HB ILE 977 2.291 9.146 3.756 148 1HG1 ILE 977 2HG1 ILE 977 0.272 7.811 3.375 149 2HG1 ILE 977 1HG1 ILE 977 0.574 8.002 5.098 150 1HG2 ILE 977 1HG2 ILE 977 1.691 10.050 5.952 151 2HG2 ILE 977 2HG2 ILE 977 0.474 11.076 5.194 152 3HG2 ILE 977 3HG2 ILE 977 2.183 11.323 4.836 153 1HD1 ILE 977 1HD1 ILE 977 -1.787 8.220 4.583 154 2HD1 ILE 977 2HD1 ILE 977 -1.435 9.552 3.482 155 3HD1 ILE 977 3HD1 ILE 977 -1.135 9.733 5.211 156 H THR 978 H THR 978 3.370 10.089 1.841 157 HA THR 978 HA THR 978 3.821 12.965 1.512 158 HB THR 978 HB THR 978 6.023 12.786 2.659 159 HG1 THR 978 1HG THR 978 6.549 10.699 2.830 160 1HG2 THR 978 1HG2 THR 978 4.119 13.735 3.844 161 2HG2 THR 978 2HG2 THR 978 5.126 12.806 4.954 162 3HG2 THR 978 3HG2 THR 978 3.613 12.126 4.356 163 H ASP 979 H ASP 979 5.725 9.943 1.426 164 HA ASP 979 HA ASP 979 6.307 10.406 -1.397 165 1HB ASP 979 1HB ASP 979 8.458 10.121 0.713 166 2HB ASP 979 2HB ASP 979 8.737 10.131 -1.026 167 H ILE 980 H ILE 980 8.125 8.516 -1.915 168 HA ILE 980 HA ILE 980 6.957 6.023 -0.864 169 HB ILE 980 HB ILE 980 7.942 6.415 -3.690 170 1HG1 ILE 980 2HG1 ILE 980 5.931 7.781 -3.255 171 2HG1 ILE 980 1HG1 ILE 980 5.600 6.462 -4.373 172 1HG2 ILE 980 1HG2 ILE 980 8.082 4.125 -2.889 173 2HG2 ILE 980 2HG2 ILE 980 6.809 4.278 -4.101 174 3HG2 ILE 980 3HG2 ILE 980 6.391 4.179 -2.391 175 1HD1 ILE 980 1HD1 ILE 980 3.791 6.745 -2.785 176 2HD1 ILE 980 2HD1 ILE 980 4.912 6.508 -1.445 177 3HD1 ILE 980 3HD1 ILE 980 4.582 5.183 -2.562 178 H GLN 981 H GLN 981 8.888 6.524 0.610 179 HA GLN 981 HA GLN 981 11.319 5.329 -0.553 180 1HB GLN 981 2HB GLN 981 11.357 7.265 1.751 181 2HB GLN 981 1HB GLN 981 12.690 6.768 0.718 182 1HG GLN 981 1HG GLN 981 10.379 8.540 -0.033 183 2HG GLN 981 2HG GLN 981 12.062 9.016 0.179 184 1HE2 GLN 981 2HE2 GLN 981 13.060 6.606 -1.143 185 2HE2 GLN 981 1HE2 GLN 981 12.785 6.845 -2.832 186 H VAL 982 H VAL 982 12.736 4.281 1.100 187 HA VAL 982 HA VAL 982 11.300 2.397 2.627 188 HB VAL 982 HB VAL 982 13.486 1.826 1.802 189 1HG1 VAL 982 1HG2 VAL 982 14.498 4.036 1.811 190 2HG1 VAL 982 2HG2 VAL 982 15.528 2.880 2.656 191 3HG1 VAL 982 3HG2 VAL 982 14.548 4.023 3.574 192 1HG2 VAL 982 1HG1 VAL 982 13.513 2.011 4.812 193 2HG2 VAL 982 2HG1 VAL 982 14.535 0.955 3.838 194 3HG2 VAL 982 3HG1 VAL 982 12.787 0.721 3.853 195 H GLY 983 H GLY 983 10.349 2.623 4.534 196 1HA GLY 983 2HA GLY 983 10.483 3.190 6.880 197 2HA GLY 983 1HA GLY 983 11.443 4.593 6.436 198 H SER 984 H SER 984 9.304 4.735 4.116 199 HA SER 984 HA SER 984 7.534 6.514 5.607 200 1HB SER 984 1HB SER 984 7.850 6.095 2.623 201 2HB SER 984 2HB SER 984 6.816 7.308 3.379 202 HG SER 984 HG SER 984 8.760 8.267 2.846 203 H ARG 985 H ARG 985 5.314 6.304 5.674 204 HA ARG 985 HA ARG 985 4.279 3.683 4.810 205 1HB ARG 985 1HB ARG 985 4.523 3.840 7.251 206 2HB ARG 985 2HB ARG 985 3.512 5.279 7.261 207 1HG ARG 985 1HG ARG 985 1.628 3.960 6.428 208 2HG ARG 985 2HG ARG 985 2.645 2.517 6.430 209 1HD ARG 985 2HD ARG 985 1.260 2.577 8.422 210 2HD ARG 985 1HD ARG 985 2.962 2.752 8.848 211 HE ARG 985 HE ARG 985 1.770 5.294 8.540 212 1HH1 ARG 985 1HH1 ARG 985 1.859 2.568 10.707 213 2HH1 ARG 985 2HH1 ARG 985 1.492 3.510 12.114 214 1HH2 ARG 985 1HH2 ARG 985 1.287 6.543 10.385 215 2HH2 ARG 985 2HH2 ARG 985 1.168 5.770 11.931 216 H ILE 986 H ILE 986 2.751 3.803 3.315 217 HA ILE 986 HA ILE 986 1.192 6.257 3.006 218 HB ILE 986 HB ILE 986 0.383 5.290 0.915 219 1HG1 ILE 986 1HG1 ILE 986 2.132 2.914 1.591 220 2HG1 ILE 986 2HG1 ILE 986 0.373 2.923 1.658 221 1HG2 ILE 986 1HG2 ILE 986 2.454 6.550 0.867 222 2HG2 ILE 986 2HG2 ILE 986 2.518 5.230 -0.301 223 3HG2 ILE 986 3HG2 ILE 986 3.375 5.091 1.234 224 1HD1 ILE 986 1HD1 ILE 986 2.044 3.326 -0.809 225 2HD1 ILE 986 2HD1 ILE 986 0.282 3.337 -0.742 226 3HD1 ILE 986 3HD1 ILE 986 1.170 1.860 -0.369 227 H THR 987 H THR 987 -1.195 5.734 2.266 228 HA THR 987 HA THR 987 -2.345 3.736 4.091 229 HB THR 987 HB THR 987 -4.126 5.330 4.723 230 HG1 THR 987 1HG THR 987 -3.127 6.762 2.744 231 1HG2 THR 987 1HG2 THR 987 -2.775 6.707 6.243 232 2HG2 THR 987 2HG2 THR 987 -1.327 6.297 5.324 233 3HG2 THR 987 3HG2 THR 987 -2.202 5.041 6.199 234 H TYR 988 H TYR 988 -3.939 2.552 3.236 235 HA TYR 988 HA TYR 988 -4.921 3.247 0.569 236 1HB TYR 988 2HB TYR 988 -5.277 0.697 2.160 237 2HB TYR 988 1HB TYR 988 -5.760 0.945 0.486 238 HD1 TYR 988 1HD TYR 988 -2.888 0.546 2.754 239 HD2 TYR 988 2HD TYR 988 -4.158 0.854 -1.296 240 HE1 TYR 988 1HE TYR 988 -0.671 -0.210 2.008 241 HE2 TYR 988 2HE TYR 988 -1.943 0.098 -2.052 242 HH TYR 988 HH TYR 988 0.346 -1.275 0.041 243 H SER 989 H SER 989 -7.174 3.221 0.078 244 HA SER 989 HA SER 989 -9.043 3.295 2.312 245 1HB SER 989 2HB SER 989 -8.646 5.661 0.463 246 2HB SER 989 1HB SER 989 -9.925 5.509 1.667 247 HG SER 989 HG SER 989 -7.145 5.782 2.070 248 H CYS 990 H CYS 990 -10.997 2.524 1.770 249 HA CYS 990 HA CYS 990 -11.425 1.662 -0.960 250 1HB CYS 990 2HB CYS 990 -13.000 1.254 1.584 251 2HB CYS 990 1HB CYS 990 -13.524 0.645 0.017 252 H THR 991 H THR 991 -13.801 1.884 -1.765 253 HA THR 991 HA THR 991 -14.163 4.579 -2.393 254 HB THR 991 HB THR 991 -16.367 3.792 -3.342 255 HG1 THR 991 1HG THR 991 -15.824 1.702 -1.766 256 1HG2 THR 991 1HG2 THR 991 -13.885 2.266 -4.123 257 2HG2 THR 991 2HG2 THR 991 -14.335 3.874 -4.693 258 3HG2 THR 991 3HG2 THR 991 -15.320 2.477 -5.127 259 H THR 992 H THR 992 -16.696 2.609 -0.922 260 HA THR 992 HA THR 992 -17.370 4.903 0.800 261 HB THR 992 HB THR 992 -19.329 2.907 -0.348 262 HG1 THR 992 1HG THR 992 -19.778 4.407 -1.877 263 1HG2 THR 992 1HG2 THR 992 -20.038 3.888 1.778 264 2HG2 THR 992 2HG2 THR 992 -21.022 4.495 0.446 265 3HG2 THR 992 3HG2 THR 992 -19.752 5.505 1.135 266 H GLY 993 H GLY 993 -15.857 3.771 2.298 267 1HA GLY 993 1HA GLY 993 -15.544 2.598 4.244 268 2HA GLY 993 2HA GLY 993 -17.294 2.632 4.388 269 H HIS 994 H HIS 994 -14.550 0.809 3.174 270 HA HIS 994 HA HIS 994 -16.219 -1.611 3.335 271 1HB HIS 994 1HB HIS 994 -14.009 -1.100 1.333 272 2HB HIS 994 2HB HIS 994 -14.928 -2.593 1.491 273 HD1 HIS 994 1HD HIS 994 -17.735 -1.109 1.810 274 HD2 HIS 994 2HD HIS 994 -14.943 -0.510 -1.209 275 HE1 HIS 994 1HE HIS 994 -19.034 -0.178 -0.132 276 HE2 HIS 994 2HE HIS 994 -17.337 0.105 -1.972 277 H ARG 995 H ARG 995 -15.383 -3.289 4.464 278 HA ARG 995 HA ARG 995 -13.176 -2.776 6.185 279 1HB ARG 995 1HB ARG 995 -15.102 -4.127 6.890 280 2HB ARG 995 2HB ARG 995 -14.692 -5.345 5.691 281 1HG ARG 995 2HG ARG 995 -13.961 -6.067 7.865 282 2HG ARG 995 1HG ARG 995 -12.555 -5.733 6.852 283 1HD ARG 995 2HD ARG 995 -12.243 -4.860 9.109 284 2HD ARG 995 1HD ARG 995 -12.287 -3.558 7.921 285 HE ARG 995 HE ARG 995 -14.872 -3.947 8.943 286 1HH1 ARG 995 1HH1 ARG 995 -11.744 -2.781 9.945 287 2HH1 ARG 995 2HH1 ARG 995 -12.386 -1.691 11.127 288 1HH2 ARG 995 1HH2 ARG 995 -15.726 -2.513 10.496 289 2HH2 ARG 995 2HH2 ARG 995 -14.650 -1.538 11.440 290 H LEU 996 H LEU 996 -11.120 -2.873 5.577 291 HA LEU 996 HA LEU 996 -10.207 -4.198 3.258 292 1HB LEU 996 2HB LEU 996 -8.812 -2.979 5.627 293 2HB LEU 996 1HB LEU 996 -7.935 -3.720 4.310 294 HG LEU 996 HG LEU 996 -9.836 -1.402 3.986 295 1HD1 LEU 996 1HD2 LEU 996 -7.905 -0.752 5.319 296 2HD1 LEU 996 2HD2 LEU 996 -7.833 -0.031 3.710 297 3HD1 LEU 996 3HD2 LEU 996 -6.824 -1.424 4.098 298 1HD2 LEU 996 1HD1 LEU 996 -9.595 -2.772 1.982 299 2HD2 LEU 996 2HD1 LEU 996 -7.840 -2.627 2.087 300 3HD2 LEU 996 3HD1 LEU 996 -8.827 -1.199 1.773 301 H ILE 997 H ILE 997 -9.515 -6.219 2.946 302 HA ILE 997 HA ILE 997 -9.486 -8.066 5.195 303 HB ILE 997 HB ILE 997 -8.890 -8.812 2.345 304 1HG1 ILE 997 1HG1 ILE 997 -11.676 -9.112 3.250 305 2HG1 ILE 997 2HG1 ILE 997 -11.164 -7.444 3.005 306 1HG2 ILE 997 1HG2 ILE 997 -9.885 -10.949 3.025 307 2HG2 ILE 997 2HG2 ILE 997 -10.164 -10.298 4.640 308 3HG2 ILE 997 3HG2 ILE 997 -8.517 -10.509 4.047 309 1HD1 ILE 997 1HD1 ILE 997 -11.008 -9.652 0.972 310 2HD1 ILE 997 2HD1 ILE 997 -10.485 -7.986 0.730 311 3HD1 ILE 997 3HD1 ILE 997 -12.190 -8.345 1.006 312 H GLY 998 H GLY 998 -7.458 -6.087 5.094 313 1HA GLY 998 2HA GLY 998 -5.134 -7.782 5.333 314 2HA GLY 998 1HA GLY 998 -5.035 -6.631 4.010 315 H HIS 999 H HIS 999 -4.250 -4.681 4.446 316 HA HIS 999 HA HIS 999 -4.424 -3.646 7.184 317 1HB HIS 999 2HB HIS 999 -2.106 -4.762 6.258 318 2HB HIS 999 1HB HIS 999 -1.877 -3.069 5.827 319 HD1 HIS 999 1HD HIS 999 -1.471 -1.412 7.727 320 HD2 HIS 999 2HD HIS 999 -2.242 -5.281 9.029 321 HE1 HIS 999 1HE HIS 999 -0.909 -1.419 10.179 322 HE2 HIS 999 2HE HIS 999 -1.361 -3.778 10.943 323 H SER1000 H SER1000 -4.639 -1.446 7.341 324 HA SER1000 HA SER1000 -5.276 -0.050 4.877 325 1HB SER1000 2HB SER1000 -6.780 0.142 6.826 326 2HB SER1000 1HB SER1000 -5.476 0.885 7.752 327 HG SER1000 HG SER1000 -5.926 2.103 5.345 328 H SER1001 H SER1001 -2.480 -0.738 5.521 329 HA SER1001 HA SER1001 -1.288 1.727 4.762 330 1HB SER1001 1HB SER1001 0.168 2.042 6.729 331 2HB SER1001 2HB SER1001 -1.534 2.231 7.147 332 HG SER1001 HG SER1001 -0.423 -0.311 7.399 333 H ALA1002 H ALA1002 1.170 1.515 4.726 334 HA ALA1002 HA ALA1002 2.290 -1.118 4.829 335 1HB ALA1002 1HB ALA1002 1.040 -1.294 2.730 336 2HB ALA1002 2HB ALA1002 2.781 -1.366 2.457 337 3HB ALA1002 3HB ALA1002 1.893 0.118 2.106 338 H GLU1003 H GLU1003 4.572 -1.139 4.379 339 HA GLU1003 HA GLU1003 5.804 1.524 4.190 340 1HB GLU1003 2HB GLU1003 6.529 -0.653 6.157 341 2HB GLU1003 1HB GLU1003 7.476 0.803 5.890 342 1HG GLU1003 2HG GLU1003 5.599 2.170 6.632 343 2HG GLU1003 1HG GLU1003 4.638 0.713 6.889 344 H CYS1004 H CYS1004 7.509 1.662 2.857 345 HA CYS1004 HA CYS1004 8.152 -0.452 1.105 346 1HB CYS1004 2HB CYS1004 8.404 1.899 0.469 347 2HB CYS1004 1HB CYS1004 9.666 2.106 1.679 348 H ILE1005 H ILE1005 8.921 -2.273 2.068 349 HA ILE1005 HA ILE1005 11.142 -2.031 3.962 350 HB ILE1005 HB ILE1005 10.707 -4.431 4.448 351 1HG1 ILE1005 2HG1 ILE1005 8.282 -4.030 2.679 352 2HG1 ILE1005 1HG1 ILE1005 9.696 -4.984 2.243 353 1HG2 ILE1005 1HG2 ILE1005 8.350 -2.575 4.743 354 2HG2 ILE1005 2HG2 ILE1005 9.733 -2.693 5.830 355 3HG2 ILE1005 3HG2 ILE1005 8.616 -4.049 5.675 356 1HD1 ILE1005 1HD1 ILE1005 9.247 -6.503 4.094 357 2HD1 ILE1005 2HD1 ILE1005 7.873 -6.396 2.993 358 3HD1 ILE1005 3HD1 ILE1005 7.834 -5.545 4.538 359 H LEU1006 H LEU1006 12.506 -4.255 3.814 360 HA LEU1006 HA LEU1006 14.343 -5.118 2.804 361 1HB LEU1006 1HB LEU1006 12.556 -5.154 0.375 362 2HB LEU1006 2HB LEU1006 14.040 -6.064 0.567 363 HG LEU1006 HG LEU1006 11.356 -6.540 1.773 364 1HD1 LEU1006 1HD1 LEU1006 11.884 -8.849 1.176 365 2HD1 LEU1006 2HD1 LEU1006 13.478 -8.339 0.620 366 3HD1 LEU1006 3HD1 LEU1006 12.030 -7.769 -0.210 367 1HD2 LEU1006 1HD2 LEU1006 13.946 -7.484 2.999 368 2HD2 LEU1006 2HD2 LEU1006 12.333 -8.038 3.448 369 3HD2 LEU1006 3HD2 LEU1006 12.798 -6.360 3.727 370 H SER1007 H SER1007 15.438 -4.932 0.307 371 HA SER1007 HA SER1007 15.828 -2.268 -0.565 372 1HB SER1007 1HB SER1007 17.730 -3.302 1.548 373 2HB SER1007 2HB SER1007 18.123 -1.967 0.465 374 HG SER1007 HG SER1007 16.111 -0.993 1.300 375 H GLY1008 H GLY1008 18.217 -2.135 -1.564 376 1HA GLY1008 2HA GLY1008 19.734 -2.965 -3.073 377 2HA GLY1008 1HA GLY1008 19.528 -4.520 -2.283 378 H ASN1009 H ASN1009 19.068 -6.035 -3.719 379 HA ASN1009 HA ASN1009 17.962 -5.421 -6.281 380 1HB ASN1009 1HB ASN1009 18.510 -8.086 -4.956 381 2HB ASN1009 2HB ASN1009 18.063 -7.874 -6.647 382 1HD2 ASN1009 2HD2 ASN1009 19.961 -8.781 -7.390 383 2HD2 ASN1009 1HD2 ASN1009 21.483 -7.969 -7.286 384 H THR1010 H THR1010 16.559 -5.806 -3.300 385 HA THR1010 HA THR1010 13.987 -6.559 -4.525 386 HB THR1010 HB THR1010 14.647 -7.136 -1.642 387 HG1 THR1010 1HG THR1010 15.042 -9.320 -2.427 388 1HG2 THR1010 1HG2 THR1010 12.618 -8.286 -3.565 389 2HG2 THR1010 2HG2 THR1010 12.282 -7.131 -2.275 390 3HG2 THR1010 3HG2 THR1010 12.823 -8.761 -1.879 391 H ALA1011 H ALA1011 12.087 -5.756 -3.231 392 HA ALA1011 HA ALA1011 12.113 -3.537 -1.579 393 1HB ALA1011 1HB ALA1011 13.502 -2.462 -3.290 394 2HB ALA1011 2HB ALA1011 11.943 -1.656 -3.124 395 3HB ALA1011 3HB ALA1011 12.236 -2.735 -4.487 396 H HIS1012 H HIS1012 10.082 -3.549 -0.883 397 HA HIS1012 HA HIS1012 7.827 -3.424 -2.622 398 1HB HIS1012 2HB HIS1012 6.849 -5.597 -2.123 399 2HB HIS1012 1HB HIS1012 8.420 -5.811 -2.889 400 HD1 HIS1012 1HD HIS1012 6.536 -7.296 -0.376 401 HD2 HIS1012 2HD HIS1012 10.482 -5.991 -0.547 402 HE1 HIS1012 1HE HIS1012 7.736 -8.547 1.443 403 HE2 HIS1012 2HE HIS1012 10.096 -7.669 1.384 404 H TRP1013 H TRP1013 5.741 -3.758 -1.311 405 HA TRP1013 HA TRP1013 6.080 -2.382 1.237 406 1HB TRP1013 2HB TRP1013 3.564 -3.029 -0.315 407 2HB TRP1013 1HB TRP1013 3.649 -2.028 1.132 408 HD1 TRP1013 HD TRP1013 4.363 -1.953 -2.608 409 HE1 TRP1013 1HE TRP1013 4.831 0.477 -3.317 410 HE3 TRP1013 3HE TRP1013 4.578 0.221 2.015 411 HZ2 TRP1013 2HZ TRP1013 5.236 2.981 -2.084 412 HZ3 TRP1013 3HZ TRP1013 5.010 2.639 2.162 413 HH2 TRP1013 HH TRP1013 5.333 3.989 0.153 414 H SER1014 H SER1014 5.236 -3.137 3.194 415 HA SER1014 HA SER1014 5.825 -5.773 3.749 416 1HB SER1014 2HB SER1014 4.002 -3.927 5.310 417 2HB SER1014 1HB SER1014 4.735 -5.404 5.935 418 HG SER1014 HG SER1014 5.939 -2.955 5.281 419 H THR1015 H THR1015 2.521 -4.461 4.023 420 HA THR1015 HA THR1015 1.427 -7.123 3.847 421 HB THR1015 HB THR1015 -0.756 -6.032 4.177 422 HG1 THR1015 1HG THR1015 -0.669 -4.072 3.246 423 1HG2 THR1015 1HG2 THR1015 0.599 -6.584 6.135 424 2HG2 THR1015 2HG2 THR1015 -0.325 -5.107 6.410 425 3HG2 THR1015 3HG2 THR1015 1.396 -5.014 6.036 426 H LYS1016 H LYS1016 0.298 -8.016 2.194 427 HA LYS1016 HA LYS1016 0.788 -7.226 -0.434 428 1HB LYS1016 1HB LYS1016 -0.726 -8.954 -1.104 429 2HB LYS1016 2HB LYS1016 0.120 -9.522 0.328 430 1HG LYS1016 2HG LYS1016 -2.620 -8.288 0.409 431 2HG LYS1016 1HG LYS1016 -2.332 -10.021 0.250 432 1HD LYS1016 2HD LYS1016 -1.111 -10.012 2.371 433 2HD LYS1016 1HD LYS1016 -1.399 -8.278 2.531 434 1HE LYS1016 2HE LYS1016 -3.812 -8.685 2.576 435 2HE LYS1016 1HE LYS1016 -3.522 -10.417 2.423 436 1HZ LYS1016 1HZ LYS1016 -3.932 -9.786 4.717 437 2HZ LYS1016 2HZ LYS1016 -2.624 -8.713 4.683 438 3HZ LYS1016 3HZ LYS1016 -2.356 -10.377 4.536 439 HA PRO1017 HA PRO1017 -1.984 -4.037 -1.669 440 1HB PRO1017 2HB PRO1017 -3.070 -5.997 -3.648 441 2HB PRO1017 1HB PRO1017 -2.541 -4.329 -3.894 442 1HG PRO1017 1HG PRO1017 -0.985 -6.361 -4.620 443 2HG PRO1017 2HG PRO1017 -0.292 -4.903 -3.889 444 1HD PRO1017 1HD PRO1017 -0.703 -7.604 -2.710 445 2HD PRO1017 2HD PRO1017 0.564 -6.408 -2.379 446 HA PRO1018 HA PRO1018 -5.367 -5.510 0.980 447 1HB PRO1018 1HB PRO1018 -6.076 -2.632 0.791 448 2HB PRO1018 2HB PRO1018 -5.888 -3.654 2.220 449 1HG PRO1018 2HG PRO1018 -4.035 -1.848 1.581 450 2HG PRO1018 1HG PRO1018 -3.578 -3.431 2.237 451 1HD PRO1018 2HD PRO1018 -3.472 -2.442 -0.584 452 2HD PRO1018 1HD PRO1018 -2.326 -3.477 0.293 453 H ILE1019 H ILE1019 -7.632 -5.685 0.767 454 HA ILE1019 HA ILE1019 -8.747 -4.743 -1.793 455 HB ILE1019 HB ILE1019 -9.543 -7.364 -0.548 456 1HG1 ILE1019 2HG1 ILE1019 -7.482 -6.955 -2.729 457 2HG1 ILE1019 1HG1 ILE1019 -7.110 -7.405 -1.067 458 1HG2 ILE1019 1HG2 ILE1019 -11.105 -6.392 -2.135 459 2HG2 ILE1019 2HG2 ILE1019 -10.361 -7.840 -2.814 460 3HG2 ILE1019 3HG2 ILE1019 -9.820 -6.244 -3.334 461 1HD1 ILE1019 1HD1 ILE1019 -7.054 -9.334 -2.533 462 2HD1 ILE1019 2HD1 ILE1019 -8.723 -9.032 -3.016 463 3HD1 ILE1019 3HD1 ILE1019 -8.354 -9.483 -1.351 464 H CYS1020 H CYS1020 -11.155 -4.692 -1.786 465 HA CYS1020 HA CYS1020 -12.092 -3.759 0.841 466 1HB CYS1020 1HB CYS1020 -13.093 -3.031 -1.919 467 2HB CYS1020 2HB CYS1020 -13.704 -2.379 -0.402 468 H GLN1021 H GLN1021 -13.236 -5.285 1.835 469 HA GLN1021 HA GLN1021 -14.557 -7.403 0.488 470 1HB GLN1021 1HB GLN1021 -13.656 -7.610 2.774 471 2HB GLN1021 2HB GLN1021 -14.860 -6.464 3.346 472 1HG GLN1021 2HG GLN1021 -16.640 -8.011 2.714 473 2HG GLN1021 1HG GLN1021 -15.432 -9.160 2.138 474 1HE2 GLN1021 2HE2 GLN1021 -14.157 -10.264 3.623 475 2HE2 GLN1021 1HE2 GLN1021 -14.572 -10.360 5.297 476 H ARG1022 H ARG1022 -15.510 -4.225 1.424 477 HA ARG1022 HA ARG1022 -17.425 -3.033 1.161 478 1HB ARG1022 1HB ARG1022 -17.404 -3.915 -1.122 479 2HB ARG1022 2HB ARG1022 -18.246 -5.363 -0.583 480 1HG ARG1022 2HG ARG1022 -20.181 -3.997 0.044 481 2HG ARG1022 1HG ARG1022 -19.337 -2.557 -0.528 482 1HD ARG1022 2HD ARG1022 -20.901 -3.368 -2.206 483 2HD ARG1022 1HD ARG1022 -19.239 -3.503 -2.778 484 HE ARG1022 HE ARG1022 -19.982 -5.929 -1.589 485 1HH1 ARG1022 1HH1 ARG1022 -20.716 -4.000 -4.396 486 2HH1 ARG1022 2HH1 ARG1022 -21.144 -5.360 -5.377 487 1HH2 ARG1022 1HH2 ARG1022 -20.544 -7.725 -2.875 488 2HH2 ARG1022 2HH2 ARG1022 -21.049 -7.477 -4.513 489 H ILE1023 H ILE1023 -18.685 -2.778 2.865 490 HA ILE1023 HA ILE1023 -19.901 -5.114 4.128 491 HB ILE1023 HB ILE1023 -19.764 -2.268 5.132 492 1HG1 ILE1023 2HG1 ILE1023 -18.122 -4.682 5.934 493 2HG1 ILE1023 1HG1 ILE1023 -17.546 -3.374 4.908 494 1HG2 ILE1023 1HG2 ILE1023 -20.568 -4.822 6.520 495 2HG2 ILE1023 2HG2 ILE1023 -21.640 -3.497 6.068 496 3HG2 ILE1023 3HG2 ILE1023 -20.396 -3.246 7.293 497 1HD1 ILE1023 1HD1 ILE1023 -16.753 -3.115 7.180 498 2HD1 ILE1023 2HD1 ILE1023 -18.413 -3.117 7.777 499 3HD1 ILE1023 3HD1 ILE1023 -17.846 -1.800 6.750 500 HA PRO1024 HA PRO1024 -23.706 -2.037 3.496 501 1HB PRO1024 2HB PRO1024 -22.706 -0.678 1.047 502 2HB PRO1024 1HB PRO1024 -23.662 -0.030 2.385 503 1HG PRO1024 1HG PRO1024 -21.078 0.565 2.151 504 2HG PRO1024 2HG PRO1024 -21.802 0.266 3.742 505 1HD PRO1024 1HD PRO1024 -20.078 -1.520 2.074 506 2HD PRO1024 2HD PRO1024 -20.091 -1.287 3.834 Start of MODEL 16 1 1H GLU 957 1HT GLU 957 17.114 0.006 -14.271 2 2H GLU 957 2HT GLU 957 16.644 1.627 -14.177 3 3H GLU 957 3HT GLU 957 17.215 0.833 -12.798 4 HA GLU 957 HA GLU 957 19.392 0.602 -13.769 5 1HB GLU 957 1HB GLU 957 18.643 0.473 -16.112 6 2HB GLU 957 2HB GLU 957 18.203 2.174 -16.066 7 1HG GLU 957 2HG GLU 957 20.541 2.770 -15.686 8 2HG GLU 957 1HG GLU 957 20.981 1.063 -15.736 9 H ALA 958 H ALA 958 17.116 3.238 -13.628 10 HA ALA 958 HA ALA 958 19.224 4.939 -12.466 11 1HB ALA 958 1HB ALA 958 18.087 6.894 -13.373 12 2HB ALA 958 2HB ALA 958 16.868 5.855 -14.112 13 3HB ALA 958 3HB ALA 958 18.543 5.780 -14.660 14 H GLU 959 H GLU 959 17.792 3.211 -10.874 15 HA GLU 959 HA GLU 959 16.195 5.094 -9.290 16 1HB GLU 959 1HB GLU 959 14.630 3.657 -10.530 17 2HB GLU 959 2HB GLU 959 15.413 2.230 -9.868 18 1HG GLU 959 2HG GLU 959 14.740 2.901 -7.619 19 2HG GLU 959 1HG GLU 959 13.955 4.333 -8.284 20 H ALA 960 H ALA 960 16.630 5.061 -7.157 21 HA ALA 960 HA ALA 960 18.036 2.762 -6.016 22 1HB ALA 960 1HB ALA 960 19.038 5.596 -5.764 23 2HB ALA 960 2HB ALA 960 19.780 4.324 -6.733 24 3HB ALA 960 3HB ALA 960 19.725 4.175 -4.977 25 H LYS 961 H LYS 961 17.010 2.163 -4.240 26 HA LYS 961 HA LYS 961 15.691 2.178 -2.389 27 1HB LYS 961 2HB LYS 961 17.621 3.499 -1.544 28 2HB LYS 961 1HB LYS 961 16.789 4.971 -2.026 29 1HG LYS 961 2HG LYS 961 16.452 4.701 0.303 30 2HG LYS 961 1HG LYS 961 14.923 4.315 -0.490 31 1HD LYS 961 1HD LYS 961 15.341 2.689 1.233 32 2HD LYS 961 2HD LYS 961 15.507 1.910 -0.342 33 1HE LYS 961 1HE LYS 961 17.284 1.218 1.186 34 2HE LYS 961 2HE LYS 961 17.931 2.101 -0.196 35 1HZ LYS 961 1HZ LYS 961 18.076 4.080 1.183 36 2HZ LYS 961 2HZ LYS 961 18.966 2.812 1.861 37 3HZ LYS 961 3HZ LYS 961 17.461 3.229 2.510 38 H SER 962 H SER 962 13.889 2.220 -3.983 39 HA SER 962 HA SER 962 11.995 4.245 -3.214 40 1HB SER 962 1HB SER 962 12.840 4.022 -6.115 41 2HB SER 962 2HB SER 962 11.460 4.952 -5.529 42 HG SER 962 HG SER 962 12.797 6.382 -4.593 43 H CYS 963 H CYS 963 10.416 2.901 -2.601 44 HA CYS 963 HA CYS 963 9.837 0.480 -4.062 45 1HB CYS 963 1HB CYS 963 7.870 0.430 -2.369 46 2HB CYS 963 2HB CYS 963 9.509 0.195 -1.774 47 H LYS 964 H LYS 964 7.783 -0.011 -5.007 48 HA LYS 964 HA LYS 964 5.907 2.038 -5.651 49 1HB LYS 964 1HB LYS 964 7.756 2.771 -7.080 50 2HB LYS 964 2HB LYS 964 7.851 1.170 -7.799 51 1HG LYS 964 2HG LYS 964 5.517 1.487 -8.624 52 2HG LYS 964 1HG LYS 964 5.608 3.156 -8.055 53 1HD LYS 964 2HD LYS 964 7.560 1.936 -9.997 54 2HD LYS 964 1HD LYS 964 6.127 2.843 -10.486 55 1HE LYS 964 1HE LYS 964 6.953 4.799 -9.267 56 2HE LYS 964 2HE LYS 964 8.384 3.891 -8.781 57 1HZ LYS 964 1HZ LYS 964 7.624 4.557 -11.573 58 2HZ LYS 964 2HZ LYS 964 8.995 3.680 -11.111 59 3HZ LYS 964 3HZ LYS 964 8.846 5.308 -10.676 60 H THR 965 H THR 965 4.605 0.303 -4.832 61 HA THR 965 HA THR 965 4.499 -2.086 -6.535 62 HB THR 965 HB THR 965 3.832 -1.803 -3.606 63 HG1 THR 965 1HG THR 965 5.628 -3.655 -3.988 64 1HG2 THR 965 1HG2 THR 965 2.317 -3.396 -4.681 65 2HG2 THR 965 2HG2 THR 965 3.467 -4.231 -3.636 66 3HG2 THR 965 3HG2 THR 965 3.695 -4.243 -5.385 67 HA PRO 966 HA PRO 966 -0.091 -1.333 -5.134 68 1HB PRO 966 2HB PRO 966 -0.702 1.273 -4.492 69 2HB PRO 966 1HB PRO 966 -0.314 0.019 -3.311 70 1HG PRO 966 1HG PRO 966 1.454 2.135 -4.475 71 2HG PRO 966 2HG PRO 966 1.336 1.571 -2.797 72 1HD PRO 966 1HD PRO 966 3.328 0.763 -4.398 73 2HD PRO 966 2HD PRO 966 2.584 -0.344 -3.226 74 HA PRO 967 HA PRO 967 -0.540 0.559 -9.238 75 1HB PRO 967 2HB PRO 967 -1.745 -1.493 -10.429 76 2HB PRO 967 1HB PRO 967 -0.017 -1.553 -10.061 77 1HG PRO 967 2HG PRO 967 -2.304 -2.867 -8.668 78 2HG PRO 967 1HG PRO 967 -0.658 -3.466 -8.937 79 1HD PRO 967 2HD PRO 967 -1.638 -2.268 -6.585 80 2HD PRO 967 1HD PRO 967 0.064 -2.580 -6.978 81 H ASP 968 H ASP 968 -2.144 1.611 -7.378 82 HA ASP 968 HA ASP 968 -4.218 2.305 -6.768 83 1HB ASP 968 1HB ASP 968 -4.359 3.209 -8.975 84 2HB ASP 968 2HB ASP 968 -4.701 1.627 -9.667 85 HA PRO 969 HA PRO 969 -5.372 -1.897 -5.406 86 1HB PRO 969 2HB PRO 969 -7.018 -0.149 -3.628 87 2HB PRO 969 1HB PRO 969 -6.042 -1.565 -3.222 88 1HG PRO 969 1HG PRO 969 -5.156 0.885 -2.685 89 2HG PRO 969 2HG PRO 969 -4.051 -0.370 -3.277 90 1HD PRO 969 2HD PRO 969 -5.207 1.970 -4.713 91 2HD PRO 969 1HD PRO 969 -3.623 1.195 -4.907 92 H VAL 970 H VAL 970 -7.117 -3.162 -5.837 93 HA VAL 970 HA VAL 970 -9.063 -2.350 -7.660 94 HB VAL 970 HB VAL 970 -8.486 -4.692 -7.395 95 1HG1 VAL 970 1HG1 VAL 970 -9.245 -5.983 -5.448 96 2HG1 VAL 970 2HG1 VAL 970 -9.799 -4.492 -4.687 97 3HG1 VAL 970 3HG1 VAL 970 -8.081 -4.736 -5.002 98 1HG2 VAL 970 1HG2 VAL 970 -10.733 -5.669 -7.384 99 2HG2 VAL 970 2HG2 VAL 970 -10.676 -4.178 -8.323 100 3HG2 VAL 970 3HG2 VAL 970 -11.375 -4.174 -6.704 101 H ASN 971 H ASN 971 -10.976 -1.362 -7.480 102 HA ASN 971 HA ASN 971 -12.626 -0.094 -6.556 103 1HB ASN 971 2HB ASN 971 -12.618 -2.334 -4.520 104 2HB ASN 971 1HB ASN 971 -13.911 -1.158 -4.733 105 1HD2 ASN 971 1HD2 ASN 971 -13.946 -4.066 -4.976 106 2HD2 ASN 971 2HD2 ASN 971 -14.517 -4.402 -6.572 107 H GLY 972 H GLY 972 -11.042 1.573 -6.071 108 1HA GLY 972 2HA GLY 972 -11.201 3.035 -3.932 109 2HA GLY 972 1HA GLY 972 -10.248 1.729 -3.245 110 H MET 973 H MET 973 -8.641 3.361 -2.791 111 HA MET 973 HA MET 973 -6.656 3.509 -4.845 112 1HB MET 973 1HB MET 973 -6.511 5.973 -4.928 113 2HB MET 973 2HB MET 973 -8.026 5.370 -5.587 114 1HG MET 973 2HG MET 973 -9.181 5.952 -3.540 115 2HG MET 973 1HG MET 973 -7.666 6.489 -2.816 116 1HE MET 973 1HE MET 973 -6.305 8.612 -3.635 117 2HE MET 973 2HE MET 973 -6.784 9.613 -5.005 118 3HE MET 973 3HE MET 973 -6.259 7.951 -5.269 119 H VAL 974 H VAL 974 -4.620 4.086 -4.058 120 HA VAL 974 HA VAL 974 -4.406 4.117 -1.141 121 HB VAL 974 HB VAL 974 -3.056 2.456 -2.304 122 1HG1 VAL 974 1HG1 VAL 974 -1.756 4.810 -3.670 123 2HG1 VAL 974 2HG1 VAL 974 -2.770 3.585 -4.433 124 3HG1 VAL 974 3HG1 VAL 974 -1.199 3.139 -3.765 125 1HG2 VAL 974 1HG2 VAL 974 -0.864 3.002 -1.340 126 2HG2 VAL 974 2HG2 VAL 974 -2.184 3.363 -0.228 127 3HG2 VAL 974 3HG2 VAL 974 -1.392 4.669 -1.109 128 H HIS 975 H HIS 975 -3.268 5.693 -0.008 129 HA HIS 975 HA HIS 975 -2.775 8.181 -1.507 130 1HB HIS 975 1HB HIS 975 -3.781 7.862 1.329 131 2HB HIS 975 2HB HIS 975 -3.414 9.398 0.551 132 HD1 HIS 975 1HD HIS 975 -5.194 10.412 -0.920 133 HD2 HIS 975 2HD HIS 975 -6.090 6.530 0.262 134 HE1 HIS 975 1HE HIS 975 -7.578 10.028 -1.623 135 HE2 HIS 975 2HE HIS 975 -8.072 7.646 -0.968 136 H VAL 976 H VAL 976 -0.744 8.869 -1.492 137 HA VAL 976 HA VAL 976 1.160 7.704 0.375 138 HB VAL 976 HB VAL 976 1.783 7.827 -1.990 139 1HG1 VAL 976 1HG1 VAL 976 1.639 10.818 -1.623 140 2HG1 VAL 976 2HG1 VAL 976 0.551 9.837 -2.606 141 3HG1 VAL 976 3HG1 VAL 976 2.252 9.984 -3.050 142 1HG2 VAL 976 1HG2 VAL 976 3.553 7.861 -0.333 143 2HG2 VAL 976 2HG2 VAL 976 3.437 9.617 -0.214 144 3HG2 VAL 976 3HG2 VAL 976 3.992 8.869 -1.712 145 H ILE 977 H ILE 977 2.271 8.811 1.933 146 HA ILE 977 HA ILE 977 1.083 11.024 3.146 147 HB ILE 977 HB ILE 977 3.951 10.114 3.424 148 1HG1 ILE 977 1HG1 ILE 977 2.371 8.302 3.881 149 2HG1 ILE 977 2HG1 ILE 977 3.135 8.845 5.372 150 1HG2 ILE 977 1HG2 ILE 977 3.848 11.197 5.627 151 2HG2 ILE 977 2HG2 ILE 977 2.233 11.796 5.244 152 3HG2 ILE 977 3HG2 ILE 977 3.624 12.346 4.309 153 1HD1 ILE 977 1HD1 ILE 977 0.372 9.585 4.439 154 2HD1 ILE 977 2HD1 ILE 977 1.138 10.122 5.935 155 3HD1 ILE 977 3HD1 ILE 977 0.770 8.413 5.695 156 H THR 978 H THR 978 4.392 11.105 1.843 157 HA THR 978 HA THR 978 3.774 13.607 0.453 158 HB THR 978 HB THR 978 6.138 13.307 2.317 159 HG1 THR 978 1HG THR 978 3.699 14.759 2.528 160 1HG2 THR 978 1HG2 THR 978 6.640 14.685 0.360 161 2HG2 THR 978 2HG2 THR 978 6.541 15.675 1.816 162 3HG2 THR 978 3HG2 THR 978 5.202 15.660 0.668 163 H ASP 979 H ASP 979 6.121 11.036 1.079 164 HA ASP 979 HA ASP 979 6.747 11.011 -1.781 165 1HB ASP 979 2HB ASP 979 8.827 10.943 0.418 166 2HB ASP 979 1HB ASP 979 9.149 10.678 -1.293 167 H ILE 980 H ILE 980 8.214 8.963 -2.199 168 HA ILE 980 HA ILE 980 7.121 6.734 -0.612 169 HB ILE 980 HB ILE 980 7.622 6.621 -3.585 170 1HG1 ILE 980 1HG1 ILE 980 4.985 6.934 -2.130 171 2HG1 ILE 980 2HG1 ILE 980 5.792 8.202 -3.046 172 1HG2 ILE 980 1HG2 ILE 980 7.763 4.479 -2.448 173 2HG2 ILE 980 2HG2 ILE 980 6.307 4.550 -3.441 174 3HG2 ILE 980 3HG2 ILE 980 6.193 4.756 -1.693 175 1HD1 ILE 980 1HD1 ILE 980 5.544 6.902 -5.085 176 2HD1 ILE 980 2HD1 ILE 980 3.983 7.185 -4.313 177 3HD1 ILE 980 3HD1 ILE 980 4.764 5.610 -4.172 178 H GLN 981 H GLN 981 9.282 7.252 0.449 179 HA GLN 981 HA GLN 981 11.334 5.564 -0.820 180 1HB GLN 981 2HB GLN 981 11.805 7.999 0.910 181 2HB GLN 981 1HB GLN 981 13.058 6.943 0.276 182 1HG GLN 981 1HG GLN 981 12.442 7.561 -1.999 183 2HG GLN 981 2HG GLN 981 11.170 8.609 -1.372 184 1HE2 GLN 981 1HE2 GLN 981 12.057 10.438 -2.312 185 2HE2 GLN 981 2HE2 GLN 981 13.497 11.180 -1.714 186 H VAL 982 H VAL 982 13.060 5.064 1.080 187 HA VAL 982 HA VAL 982 11.818 3.262 2.818 188 HB VAL 982 HB VAL 982 14.170 3.049 2.216 189 1HG1 VAL 982 1HG2 VAL 982 15.869 4.514 3.208 190 2HG1 VAL 982 2HG2 VAL 982 14.592 5.515 3.899 191 3HG1 VAL 982 3HG2 VAL 982 14.774 5.401 2.148 192 1HG2 VAL 982 1HG1 VAL 982 13.768 3.430 5.180 193 2HG2 VAL 982 2HG1 VAL 982 15.086 2.529 4.432 194 3HG2 VAL 982 3HG1 VAL 982 13.424 1.967 4.259 195 H GLY 983 H GLY 983 11.179 3.350 4.932 196 1HA GLY 983 2HA GLY 983 10.953 4.278 7.079 197 2HA GLY 983 1HA GLY 983 11.641 5.778 6.479 198 H SER 984 H SER 984 9.638 5.442 4.141 199 HA SER 984 HA SER 984 7.645 7.152 5.262 200 1HB SER 984 2HB SER 984 7.755 5.797 2.555 201 2HB SER 984 1HB SER 984 6.637 7.084 3.008 202 HG SER 984 HG SER 984 9.384 7.506 3.341 203 H ARG 985 H ARG 985 5.389 6.760 5.405 204 HA ARG 985 HA ARG 985 4.562 3.950 5.408 205 1HB ARG 985 1HB ARG 985 5.241 4.482 7.705 206 2HB ARG 985 2HB ARG 985 4.147 5.858 7.716 207 1HG ARG 985 2HG ARG 985 2.242 4.341 7.461 208 2HG ARG 985 1HG ARG 985 3.348 2.965 7.473 209 1HD ARG 985 2HD ARG 985 2.970 4.950 9.712 210 2HD ARG 985 1HD ARG 985 2.324 3.310 9.667 211 HE ARG 985 HE ARG 985 5.075 3.127 9.313 212 1HH1 ARG 985 1HH1 ARG 985 2.827 4.153 11.770 213 2HH1 ARG 985 2HH1 ARG 985 3.880 3.749 13.084 214 1HH2 ARG 985 1HH2 ARG 985 6.468 2.592 11.037 215 2HH2 ARG 985 2HH2 ARG 985 5.949 2.861 12.668 216 H ILE 986 H ILE 986 3.328 4.398 3.560 217 HA ILE 986 HA ILE 986 1.346 6.479 3.559 218 HB ILE 986 HB ILE 986 0.620 5.567 1.431 219 1HG1 ILE 986 1HG1 ILE 986 2.564 3.308 1.964 220 2HG1 ILE 986 2HG1 ILE 986 0.810 3.172 2.026 221 1HG2 ILE 986 1HG2 ILE 986 3.623 5.608 1.706 222 2HG2 ILE 986 2HG2 ILE 986 2.574 6.998 1.419 223 3HG2 ILE 986 3HG2 ILE 986 2.736 5.745 0.187 224 1HD1 ILE 986 1HD1 ILE 986 0.680 3.705 -0.346 225 2HD1 ILE 986 2HD1 ILE 986 1.695 2.292 -0.054 226 3HD1 ILE 986 3HD1 ILE 986 2.435 3.852 -0.411 227 H THR 987 H THR 987 -0.987 5.804 2.946 228 HA THR 987 HA THR 987 -1.845 3.561 4.647 229 HB THR 987 HB THR 987 -3.720 4.926 5.495 230 HG1 THR 987 1HG THR 987 -3.374 7.293 5.195 231 1HG2 THR 987 1HG2 THR 987 -2.422 6.305 7.048 232 2HG2 THR 987 2HG2 THR 987 -1.001 6.134 6.016 233 3HG2 THR 987 3HG2 THR 987 -1.677 4.721 6.828 234 H TYR 988 H TYR 988 -3.569 2.402 3.929 235 HA TYR 988 HA TYR 988 -4.632 3.124 1.290 236 1HB TYR 988 2HB TYR 988 -4.666 0.480 2.765 237 2HB TYR 988 1HB TYR 988 -5.347 0.753 1.164 238 HD1 TYR 988 1HD TYR 988 -2.157 0.854 3.071 239 HD2 TYR 988 2HD TYR 988 -4.008 0.559 -0.749 240 HE1 TYR 988 1HE TYR 988 0.025 0.339 2.060 241 HE2 TYR 988 2HE TYR 988 -1.831 0.043 -1.771 242 HH TYR 988 HH TYR 988 0.909 -0.774 0.055 243 H SER 989 H SER 989 -6.844 3.212 0.892 244 HA SER 989 HA SER 989 -8.496 3.434 3.324 245 1HB SER 989 1HB SER 989 -8.625 5.123 0.815 246 2HB SER 989 2HB SER 989 -9.713 5.264 2.195 247 HG SER 989 HG SER 989 -7.824 5.730 3.470 248 H CYS 990 H CYS 990 -8.396 2.505 -0.065 249 HA CYS 990 HA CYS 990 -9.784 1.278 -1.383 250 1HB CYS 990 2HB CYS 990 -9.596 -0.381 0.448 251 2HB CYS 990 1HB CYS 990 -10.992 0.350 1.233 252 H THR 991 H THR 991 -12.083 1.044 -2.077 253 HA THR 991 HA THR 991 -13.372 3.518 -2.154 254 HB THR 991 HB THR 991 -13.796 1.918 -3.893 255 HG1 THR 991 1HG THR 991 -15.653 3.276 -2.731 256 1HG2 THR 991 1HG2 THR 991 -15.079 0.195 -1.769 257 2HG2 THR 991 2HG2 THR 991 -13.554 -0.137 -2.591 258 3HG2 THR 991 3HG2 THR 991 -15.066 -0.145 -3.499 259 H THR 992 H THR 992 -15.197 4.341 -1.150 260 HA THR 992 HA THR 992 -15.393 3.927 1.588 261 HB THR 992 HB THR 992 -16.133 6.008 0.612 262 HG1 THR 992 1HG THR 992 -17.453 4.683 2.437 263 1HG2 THR 992 1HG2 THR 992 -18.370 4.410 -0.640 264 2HG2 THR 992 2HG2 THR 992 -17.017 5.146 -1.500 265 3HG2 THR 992 3HG2 THR 992 -18.206 6.165 -0.689 266 H GLY 993 H GLY 993 -16.672 2.728 2.904 267 1HA GLY 993 2HA GLY 993 -18.446 1.308 3.488 268 2HA GLY 993 1HA GLY 993 -18.870 1.175 1.787 269 H HIS 994 H HIS 994 -15.558 0.745 2.466 270 HA HIS 994 HA HIS 994 -15.844 -2.174 2.561 271 1HB HIS 994 1HB HIS 994 -14.107 -0.654 0.603 272 2HB HIS 994 2HB HIS 994 -14.077 -2.400 0.834 273 HD1 HIS 994 1HD HIS 994 -16.599 0.277 -0.146 274 HD2 HIS 994 2HD HIS 994 -15.739 -3.729 -0.835 275 HE1 HIS 994 1HE HIS 994 -18.264 -0.481 -1.871 276 HE2 HIS 994 2HE HIS 994 -17.781 -2.931 -2.207 277 H ARG 995 H ARG 995 -14.747 -2.893 4.251 278 HA ARG 995 HA ARG 995 -12.428 -1.407 5.231 279 1HB ARG 995 2HB ARG 995 -14.138 -2.088 6.862 280 2HB ARG 995 1HB ARG 995 -13.888 -3.773 6.424 281 1HG ARG 995 1HG ARG 995 -11.564 -3.610 7.218 282 2HG ARG 995 2HG ARG 995 -11.873 -1.944 7.715 283 1HD ARG 995 1HD ARG 995 -13.294 -4.395 8.748 284 2HD ARG 995 2HD ARG 995 -12.052 -3.482 9.603 285 HE ARG 995 HE ARG 995 -14.103 -1.718 8.920 286 1HH1 ARG 995 1HH1 ARG 995 -13.581 -4.484 10.973 287 2HH1 ARG 995 2HH1 ARG 995 -14.764 -4.001 12.143 288 1HH2 ARG 995 1HH2 ARG 995 -15.661 -1.073 10.455 289 2HH2 ARG 995 2HH2 ARG 995 -15.945 -2.062 11.849 290 H LEU 996 H LEU 996 -10.492 -1.938 4.464 291 HA LEU 996 HA LEU 996 -9.994 -4.101 2.800 292 1HB LEU 996 1HB LEU 996 -7.572 -3.546 3.256 293 2HB LEU 996 2HB LEU 996 -8.563 -2.251 2.628 294 HG LEU 996 HG LEU 996 -8.814 -1.532 5.100 295 1HD1 LEU 996 1HD2 LEU 996 -7.908 -3.536 6.121 296 2HD1 LEU 996 2HD2 LEU 996 -6.896 -2.144 6.511 297 3HD1 LEU 996 3HD2 LEU 996 -6.376 -3.297 5.280 298 1HD2 LEU 996 1HD1 LEU 996 -6.162 -1.293 3.686 299 2HD2 LEU 996 2HD1 LEU 996 -6.741 -0.243 4.979 300 3HD2 LEU 996 3HD1 LEU 996 -7.574 -0.270 3.424 301 H ILE 997 H ILE 997 -8.635 -5.957 3.096 302 HA ILE 997 HA ILE 997 -8.599 -6.964 5.863 303 HB ILE 997 HB ILE 997 -9.345 -8.549 3.404 304 1HG1 ILE 997 2HG1 ILE 997 -11.099 -6.987 4.187 305 2HG1 ILE 997 1HG1 ILE 997 -11.570 -8.674 4.375 306 1HG2 ILE 997 1HG2 ILE 997 -9.796 -10.380 4.971 307 2HG2 ILE 997 2HG2 ILE 997 -9.191 -9.388 6.298 308 3HG2 ILE 997 3HG2 ILE 997 -8.101 -9.893 5.007 309 1HD1 ILE 997 1HD1 ILE 997 -11.040 -8.558 6.751 310 2HD1 ILE 997 2HD1 ILE 997 -12.231 -7.339 6.294 311 3HD1 ILE 997 3HD1 ILE 997 -10.551 -6.875 6.562 312 H GLY 998 H GLY 998 -6.394 -6.519 6.066 313 1HA GLY 998 2HA GLY 998 -4.539 -8.306 6.008 314 2HA GLY 998 1HA GLY 998 -4.604 -8.025 4.279 315 H HIS 999 H HIS 999 -4.912 -5.282 4.242 316 HA HIS 999 HA HIS 999 -2.176 -4.597 4.345 317 1HB HIS 999 2HB HIS 999 -4.693 -3.242 3.534 318 2HB HIS 999 1HB HIS 999 -3.295 -2.227 3.858 319 HD1 HIS 999 1HD HIS 999 -1.990 -1.753 1.824 320 HD2 HIS 999 2HD HIS 999 -3.817 -5.480 1.645 321 HE1 HIS 999 1HE HIS 999 -1.364 -2.701 -0.419 322 HE2 HIS 999 2HE HIS 999 -2.412 -4.991 -0.471 323 H SER1000 H SER1000 -4.768 -2.621 5.763 324 HA SER1000 HA SER1000 -4.733 -1.166 7.502 325 1HB SER1000 1HB SER1000 -4.106 -2.082 9.666 326 2HB SER1000 2HB SER1000 -4.944 -3.320 8.732 327 HG SER1000 HG SER1000 -2.908 -3.917 9.861 328 H SER1001 H SER1001 -3.014 -0.317 5.764 329 HA SER1001 HA SER1001 -1.229 1.057 5.467 330 1HB SER1001 1HB SER1001 -1.850 2.042 7.622 331 2HB SER1001 2HB SER1001 -0.921 0.803 8.465 332 HG SER1001 HG SER1001 0.953 1.623 7.423 333 H ALA1002 H ALA1002 1.137 1.065 5.437 334 HA ALA1002 HA ALA1002 2.358 -1.524 6.052 335 1HB ALA1002 1HB ALA1002 3.190 -1.813 3.798 336 2HB ALA1002 2HB ALA1002 2.411 -0.315 3.290 337 3HB ALA1002 3HB ALA1002 1.430 -1.699 3.776 338 H GLU1003 H GLU1003 4.763 -1.393 5.115 339 HA GLU1003 HA GLU1003 5.877 1.276 5.562 340 1HB GLU1003 2HB GLU1003 5.965 0.123 7.731 341 2HB GLU1003 1HB GLU1003 6.832 -1.215 6.988 342 1HG GLU1003 2HG GLU1003 8.689 0.285 6.460 343 2HG GLU1003 1HG GLU1003 7.821 1.618 7.220 344 H CYS1004 H CYS1004 7.236 1.760 3.980 345 HA CYS1004 HA CYS1004 7.923 -0.019 1.930 346 1HB CYS1004 1HB CYS1004 7.847 2.433 1.658 347 2HB CYS1004 2HB CYS1004 9.275 2.584 2.676 348 H ILE1005 H ILE1005 9.011 -1.835 2.479 349 HA ILE1005 HA ILE1005 11.625 -1.491 3.798 350 HB ILE1005 HB ILE1005 11.359 -3.786 4.702 351 1HG1 ILE1005 2HG1 ILE1005 8.470 -3.521 3.846 352 2HG1 ILE1005 1HG1 ILE1005 9.657 -4.500 2.990 353 1HG2 ILE1005 1HG2 ILE1005 9.217 -1.821 5.503 354 2HG2 ILE1005 2HG2 ILE1005 10.877 -1.860 6.097 355 3HG2 ILE1005 3HG2 ILE1005 9.773 -3.183 6.475 356 1HD1 ILE1005 1HD1 ILE1005 8.281 -5.859 4.453 357 2HD1 ILE1005 2HD1 ILE1005 8.778 -4.890 5.840 358 3HD1 ILE1005 3HD1 ILE1005 9.964 -5.872 4.981 359 H LEU1006 H LEU1006 13.359 -2.301 2.779 360 HA LEU1006 HA LEU1006 13.001 -3.511 0.177 361 1HB LEU1006 2HB LEU1006 15.533 -2.836 1.679 362 2HB LEU1006 1HB LEU1006 15.444 -3.340 0.003 363 HG LEU1006 HG LEU1006 13.960 -1.247 -0.327 364 1HD1 LEU1006 1HD2 LEU1006 15.337 -0.540 2.261 365 2HD1 LEU1006 2HD2 LEU1006 13.601 -0.751 2.028 366 3HD1 LEU1006 3HD2 LEU1006 14.443 0.579 1.231 367 1HD2 LEU1006 1HD1 LEU1006 16.210 -1.506 -1.242 368 2HD2 LEU1006 2HD1 LEU1006 16.898 -0.966 0.288 369 3HD2 LEU1006 3HD1 LEU1006 15.933 0.144 -0.683 370 H SER1007 H SER1007 13.619 -5.561 -0.434 371 HA SER1007 HA SER1007 14.646 -7.367 1.628 372 1HB SER1007 2HB SER1007 12.964 -9.080 1.044 373 2HB SER1007 1HB SER1007 12.213 -7.627 1.704 374 HG SER1007 HG SER1007 11.182 -8.465 -0.211 375 H GLY1008 H GLY1008 15.615 -6.085 -0.919 376 1HA GLY1008 1HA GLY1008 17.328 -7.973 -1.863 377 2HA GLY1008 2HA GLY1008 15.872 -8.246 -2.808 378 H ASN1009 H ASN1009 16.027 -7.356 -4.746 379 HA ASN1009 HA ASN1009 17.703 -5.000 -5.134 380 1HB ASN1009 2HB ASN1009 17.922 -6.946 -6.664 381 2HB ASN1009 1HB ASN1009 16.258 -6.693 -7.186 382 1HD2 ASN1009 2HD2 ASN1009 16.863 -6.344 -9.309 383 2HD2 ASN1009 1HD2 ASN1009 17.649 -4.894 -9.821 384 H THR1010 H THR1010 14.540 -5.620 -4.399 385 HA THR1010 HA THR1010 13.725 -2.973 -5.344 386 HB THR1010 HB THR1010 12.020 -5.441 -5.741 387 HG1 THR1010 1HG THR1010 12.337 -4.651 -8.031 388 1HG2 THR1010 1HG2 THR1010 10.708 -3.440 -5.224 389 2HG2 THR1010 2HG2 THR1010 10.492 -3.920 -6.907 390 3HG2 THR1010 3HG2 THR1010 11.538 -2.558 -6.506 391 H ALA1011 H ALA1011 12.320 -1.910 -3.997 392 HA ALA1011 HA ALA1011 12.011 -3.052 -1.344 393 1HB ALA1011 1HB ALA1011 12.831 -0.758 -1.582 394 2HB ALA1011 2HB ALA1011 11.320 -0.815 -0.674 395 3HB ALA1011 3HB ALA1011 11.317 -0.299 -2.361 396 H HIS1012 H HIS1012 10.167 -3.792 -0.491 397 HA HIS1012 HA HIS1012 7.667 -3.349 -1.984 398 1HB HIS1012 1HB HIS1012 8.565 -5.888 -0.605 399 2HB HIS1012 2HB HIS1012 6.979 -5.639 -1.329 400 HD1 HIS1012 1HD HIS1012 6.776 -5.920 -3.838 401 HD2 HIS1012 2HD HIS1012 10.700 -6.107 -2.486 402 HE1 HIS1012 1HE HIS1012 8.128 -6.712 -5.805 403 HE2 HIS1012 2HE HIS1012 10.511 -6.728 -4.989 404 H TRP1013 H TRP1013 5.701 -3.559 -0.686 405 HA TRP1013 HA TRP1013 6.085 -2.282 1.896 406 1HB TRP1013 2HB TRP1013 3.511 -2.882 0.424 407 2HB TRP1013 1HB TRP1013 3.703 -1.810 1.808 408 HD1 TRP1013 HD TRP1013 4.241 -1.964 -1.958 409 HE1 TRP1013 1HE TRP1013 4.767 0.399 -2.823 410 HE3 TRP1013 3HE TRP1013 4.772 0.447 2.521 411 HZ2 TRP1013 2HZ TRP1013 5.342 2.938 -1.760 412 HZ3 TRP1013 3HZ TRP1013 5.313 2.848 2.507 413 HH2 TRP1013 HH TRP1013 5.591 4.068 0.409 414 H SER1014 H SER1014 4.938 -2.989 3.803 415 HA SER1014 HA SER1014 5.262 -5.833 4.144 416 1HB SER1014 2HB SER1014 4.448 -3.705 6.137 417 2HB SER1014 1HB SER1014 4.891 -5.366 6.531 418 HG SER1014 HG SER1014 6.526 -3.450 6.515 419 H THR1015 H THR1015 3.087 -5.157 2.438 420 HA THR1015 HA THR1015 0.903 -6.368 3.975 421 HB THR1015 HB THR1015 -0.741 -4.899 2.801 422 HG1 THR1015 1HG THR1015 0.262 -2.858 2.023 423 1HG2 THR1015 1HG2 THR1015 -0.087 -4.445 5.114 424 2HG2 THR1015 2HG2 THR1015 -0.388 -2.944 4.238 425 3HG2 THR1015 3HG2 THR1015 1.268 -3.469 4.546 426 H LYS1016 H LYS1016 0.051 -8.060 2.976 427 HA LYS1016 HA LYS1016 0.854 -8.970 0.443 428 1HB LYS1016 1HB LYS1016 -0.791 -10.693 0.699 429 2HB LYS1016 2HB LYS1016 -0.104 -10.380 2.286 430 1HG LYS1016 2HG LYS1016 -2.694 -9.173 1.349 431 2HG LYS1016 1HG LYS1016 -2.592 -10.707 2.214 432 1HD LYS1016 1HD LYS1016 -1.555 -8.071 3.250 433 2HD LYS1016 2HD LYS1016 -3.103 -8.792 3.694 434 1HE LYS1016 2HE LYS1016 -0.384 -10.010 4.166 435 2HE LYS1016 1HE LYS1016 -1.393 -9.233 5.385 436 1HZ LYS1016 1HZ LYS1016 -1.609 -11.628 5.482 437 2HZ LYS1016 2HZ LYS1016 -2.089 -11.685 3.862 438 3HZ LYS1016 3HZ LYS1016 -3.078 -10.934 5.009 439 HA PRO1017 HA PRO1017 -1.589 -7.232 -2.826 440 1HB PRO1017 2HB PRO1017 -3.235 -9.738 -2.721 441 2HB PRO1017 1HB PRO1017 -2.608 -8.869 -4.128 442 1HG PRO1017 1HG PRO1017 -1.389 -11.063 -3.212 443 2HG PRO1017 2HG PRO1017 -0.461 -9.692 -3.845 444 1HD PRO1017 1HD PRO1017 -0.770 -10.629 -1.059 445 2HD PRO1017 2HD PRO1017 0.531 -9.672 -1.792 446 HA PRO1018 HA PRO1018 -4.652 -5.220 -0.436 447 1HB PRO1018 1HB PRO1018 -5.778 -4.317 -3.024 448 2HB PRO1018 2HB PRO1018 -5.194 -3.367 -1.654 449 1HG PRO1018 1HG PRO1018 -3.768 -3.551 -3.903 450 2HG PRO1018 2HG PRO1018 -2.977 -3.536 -2.314 451 1HD PRO1018 1HD PRO1018 -3.519 -5.843 -4.144 452 2HD PRO1018 2HD PRO1018 -2.090 -5.508 -3.144 453 H ILE1019 H ILE1019 -6.628 -5.636 0.356 454 HA ILE1019 HA ILE1019 -8.622 -6.907 -1.384 455 HB ILE1019 HB ILE1019 -8.315 -7.746 1.491 456 1HG1 ILE1019 2HG1 ILE1019 -7.224 -9.187 -0.938 457 2HG1 ILE1019 1HG1 ILE1019 -6.244 -8.319 0.238 458 1HG2 ILE1019 1HG2 ILE1019 -9.667 -9.659 0.762 459 2HG2 ILE1019 2HG2 ILE1019 -9.733 -8.981 -0.865 460 3HG2 ILE1019 3HG2 ILE1019 -10.489 -8.125 0.479 461 1HD1 ILE1019 1HD1 ILE1019 -6.958 -9.865 1.980 462 2HD1 ILE1019 2HD1 ILE1019 -6.192 -10.712 0.634 463 3HD1 ILE1019 3HD1 ILE1019 -7.948 -10.731 0.805 464 H CYS1020 H CYS1020 -10.843 -6.712 -0.476 465 HA CYS1020 HA CYS1020 -11.211 -4.597 1.490 466 1HB CYS1020 1HB CYS1020 -12.199 -4.412 -1.357 467 2HB CYS1020 2HB CYS1020 -12.844 -3.430 -0.047 468 H GLN1021 H GLN1021 -12.979 -4.890 2.720 469 HA GLN1021 HA GLN1021 -14.738 -7.136 1.985 470 1HB GLN1021 1HB GLN1021 -13.297 -7.538 3.958 471 2HB GLN1021 2HB GLN1021 -14.012 -6.140 4.747 472 1HG GLN1021 2HG GLN1021 -16.197 -7.229 4.705 473 2HG GLN1021 1HG GLN1021 -15.478 -8.633 3.918 474 1HE2 GLN1021 1HE2 GLN1021 -14.142 -9.999 5.096 475 2HE2 GLN1021 2HE2 GLN1021 -14.098 -9.980 6.823 476 H ARG1022 H ARG1022 -16.776 -6.637 1.567 477 HA ARG1022 HA ARG1022 -17.848 -4.058 1.794 478 1HB ARG1022 1HB ARG1022 -18.694 -5.737 0.213 479 2HB ARG1022 2HB ARG1022 -19.307 -6.696 1.553 480 1HG ARG1022 1HG ARG1022 -20.830 -4.874 2.150 481 2HG ARG1022 2HG ARG1022 -20.226 -3.933 0.784 482 1HD ARG1022 2HD ARG1022 -22.326 -5.027 0.222 483 2HD ARG1022 1HD ARG1022 -21.003 -5.663 -0.755 484 HE ARG1022 HE ARG1022 -21.237 -7.319 1.455 485 1HH1 ARG1022 1HH1 ARG1022 -23.179 -6.369 -1.278 486 2HH1 ARG1022 2HH1 ARG1022 -24.044 -7.868 -1.348 487 1HH2 ARG1022 1HH2 ARG1022 -22.370 -9.295 1.369 488 2HH2 ARG1022 2HH2 ARG1022 -23.584 -9.531 0.157 489 H ILE1023 H ILE1023 -18.745 -2.988 3.431 490 HA ILE1023 HA ILE1023 -19.013 -4.319 5.999 491 HB ILE1023 HB ILE1023 -19.422 -1.407 5.304 492 1HG1 ILE1023 2HG1 ILE1023 -17.018 -2.776 6.533 493 2HG1 ILE1023 1HG1 ILE1023 -17.117 -2.231 4.861 494 1HG2 ILE1023 1HG2 ILE1023 -19.176 -1.038 7.718 495 2HG2 ILE1023 2HG2 ILE1023 -19.088 -2.782 7.967 496 3HG2 ILE1023 3HG2 ILE1023 -20.569 -2.054 7.347 497 1HD1 ILE1023 1HD1 ILE1023 -17.263 -0.474 7.297 498 2HD1 ILE1023 2HD1 ILE1023 -17.360 0.071 5.623 499 3HD1 ILE1023 3HD1 ILE1023 -15.874 -0.661 6.228 500 HA PRO1024 HA PRO1024 -23.409 -4.858 5.144 501 1HB PRO1024 1HB PRO1024 -23.958 -6.245 7.415 502 2HB PRO1024 2HB PRO1024 -23.211 -6.983 5.994 503 1HG PRO1024 2HG PRO1024 -21.925 -5.990 8.511 504 2HG PRO1024 1HG PRO1024 -21.611 -7.485 7.608 505 1HD PRO1024 1HD PRO1024 -20.020 -5.308 7.406 506 2HD PRO1024 2HD PRO1024 -20.300 -6.410 6.042 Start of MODEL 17 1 1H GLU 957 1HT GLU 957 14.408 13.055 1.520 2 2H GLU 957 2HT GLU 957 14.686 12.143 2.917 3 3H GLU 957 3HT GLU 957 15.442 11.717 1.465 4 HA GLU 957 HA GLU 957 15.905 14.216 2.984 5 1HB GLU 957 2HB GLU 957 16.827 12.223 4.095 6 2HB GLU 957 1HB GLU 957 17.664 11.781 2.614 7 1HG GLU 957 2HG GLU 957 18.995 13.822 2.753 8 2HG GLU 957 1HG GLU 957 18.152 14.271 4.235 9 H ALA 958 H ALA 958 17.352 12.099 0.499 10 HA ALA 958 HA ALA 958 17.686 14.421 -1.241 11 1HB ALA 958 1HB ALA 958 19.990 12.631 -0.477 12 2HB ALA 958 2HB ALA 958 19.764 14.299 0.049 13 3HB ALA 958 3HB ALA 958 20.037 13.942 -1.657 14 H GLU 959 H GLU 959 18.749 11.015 -1.083 15 HA GLU 959 HA GLU 959 17.063 10.313 -3.316 16 1HB GLU 959 1HB GLU 959 19.010 11.299 -4.451 17 2HB GLU 959 2HB GLU 959 20.071 10.187 -3.598 18 1HG GLU 959 2HG GLU 959 19.692 9.434 -5.862 19 2HG GLU 959 1HG GLU 959 18.989 8.300 -4.710 20 H ALA 960 H ALA 960 16.148 8.714 -2.100 21 HA ALA 960 HA ALA 960 17.745 6.324 -1.719 22 1HB ALA 960 1HB ALA 960 18.049 7.511 0.400 23 2HB ALA 960 2HB ALA 960 17.122 6.026 0.619 24 3HB ALA 960 3HB ALA 960 16.300 7.586 0.610 25 H LYS 961 H LYS 961 15.394 7.322 -3.292 26 HA LYS 961 HA LYS 961 13.272 5.561 -2.303 27 1HB LYS 961 1HB LYS 961 11.857 6.664 -4.004 28 2HB LYS 961 2HB LYS 961 12.563 7.807 -2.869 29 1HG LYS 961 1HG LYS 961 14.247 8.424 -4.511 30 2HG LYS 961 2HG LYS 961 13.578 7.251 -5.648 31 1HD LYS 961 2HD LYS 961 11.456 8.470 -5.656 32 2HD LYS 961 1HD LYS 961 12.126 9.643 -4.520 33 1HE LYS 961 1HE LYS 961 12.191 10.498 -6.802 34 2HE LYS 961 2HE LYS 961 13.819 10.277 -6.160 35 1HZ LYS 961 1HZ LYS 961 13.970 8.191 -7.375 36 2HZ LYS 961 2HZ LYS 961 13.651 9.475 -8.428 37 3HZ LYS 961 3HZ LYS 961 12.410 8.411 -7.994 38 H SER 962 H SER 962 12.608 3.766 -3.361 39 HA SER 962 HA SER 962 13.185 3.174 -6.066 40 1HB SER 962 2HB SER 962 14.798 1.333 -5.724 41 2HB SER 962 1HB SER 962 15.473 2.889 -5.240 42 HG SER 962 HG SER 962 14.975 0.664 -3.742 43 H CYS 963 H CYS 963 11.048 3.063 -4.025 44 HA CYS 963 HA CYS 963 10.509 0.202 -3.804 45 1HB CYS 963 2HB CYS 963 8.917 2.530 -2.713 46 2HB CYS 963 1HB CYS 963 8.707 0.831 -2.303 47 H LYS 964 H LYS 964 9.015 -0.848 -4.979 48 HA LYS 964 HA LYS 964 7.748 0.562 -7.167 49 1HB LYS 964 2HB LYS 964 7.667 -2.363 -6.403 50 2HB LYS 964 1HB LYS 964 7.029 -1.681 -7.893 51 1HG LYS 964 1HG LYS 964 9.281 -0.974 -8.534 52 2HG LYS 964 2HG LYS 964 9.918 -1.666 -7.041 53 1HD LYS 964 2HD LYS 964 10.285 -3.223 -8.838 54 2HD LYS 964 1HD LYS 964 9.055 -3.880 -7.758 55 1HE LYS 964 1HE LYS 964 7.304 -3.117 -9.284 56 2HE LYS 964 2HE LYS 964 8.532 -2.454 -10.363 57 1HZ LYS 964 1HZ LYS 964 8.221 -5.320 -9.653 58 2HZ LYS 964 2HZ LYS 964 9.402 -4.686 -10.683 59 3HZ LYS 964 3HZ LYS 964 7.770 -4.611 -11.121 60 H THR 965 H THR 965 6.048 1.763 -6.506 61 HA THR 965 HA THR 965 4.379 1.223 -4.349 62 HB THR 965 HB THR 965 4.130 3.397 -4.973 63 HG1 THR 965 1HG THR 965 2.045 3.175 -6.568 64 1HG2 THR 965 1HG2 THR 965 3.951 4.207 -7.283 65 2HG2 THR 965 2HG2 THR 965 3.985 2.544 -7.868 66 3HG2 THR 965 3HG2 THR 965 5.397 3.223 -7.059 67 HA PRO 966 HA PRO 966 1.575 -1.866 -5.784 68 1HB PRO 966 2HB PRO 966 -0.515 -1.418 -4.151 69 2HB PRO 966 1HB PRO 966 1.019 -2.060 -3.551 70 1HG PRO 966 1HG PRO 966 -0.020 0.752 -3.469 71 2HG PRO 966 2HG PRO 966 0.782 -0.179 -2.190 72 1HD PRO 966 1HD PRO 966 2.083 1.652 -3.738 73 2HD PRO 966 2HD PRO 966 2.880 0.225 -3.043 74 HA PRO 967 HA PRO 967 -1.127 0.186 -8.704 75 1HB PRO 967 1HB PRO 967 -2.415 -1.990 -9.644 76 2HB PRO 967 2HB PRO 967 -0.735 -1.635 -10.063 77 1HG PRO 967 2HG PRO 967 -1.817 -3.540 -8.020 78 2HG PRO 967 1HG PRO 967 -0.495 -3.774 -9.178 79 1HD PRO 967 2HD PRO 967 -0.088 -3.149 -6.560 80 2HD PRO 967 1HD PRO 967 1.025 -2.669 -7.856 81 H ASP 968 H ASP 968 -3.210 0.941 -8.751 82 HA ASP 968 HA ASP 968 -4.753 0.668 -6.380 83 1HB ASP 968 1HB ASP 968 -6.383 2.133 -7.554 84 2HB ASP 968 2HB ASP 968 -4.742 2.771 -7.581 85 HA PRO 969 HA PRO 969 -6.996 -2.944 -7.805 86 1HB PRO 969 2HB PRO 969 -8.330 -3.427 -5.523 87 2HB PRO 969 1HB PRO 969 -6.602 -3.766 -5.682 88 1HG PRO 969 2HG PRO 969 -7.967 -1.423 -4.407 89 2HG PRO 969 1HG PRO 969 -6.578 -2.360 -3.825 90 1HD PRO 969 2HD PRO 969 -6.349 0.052 -5.090 91 2HD PRO 969 1HD PRO 969 -5.093 -1.201 -5.134 92 H VAL 970 H VAL 970 -9.508 -3.575 -7.060 93 HA VAL 970 HA VAL 970 -11.086 -1.743 -8.571 94 HB VAL 970 HB VAL 970 -11.517 -4.162 -8.616 95 1HG1 VAL 970 1HG1 VAL 970 -12.650 -5.241 -6.717 96 2HG1 VAL 970 2HG1 VAL 970 -12.415 -3.776 -5.763 97 3HG1 VAL 970 3HG1 VAL 970 -11.019 -4.707 -6.307 98 1HG2 VAL 970 1HG2 VAL 970 -13.307 -2.636 -9.232 99 2HG2 VAL 970 2HG2 VAL 970 -13.823 -2.538 -7.549 100 3HG2 VAL 970 3HG2 VAL 970 -13.960 -4.062 -8.425 101 H ASN 971 H ASN 971 -12.501 -0.213 -7.922 102 HA ASN 971 HA ASN 971 -13.521 1.317 -6.584 103 1HB ASN 971 1HB ASN 971 -13.849 -1.068 -4.750 104 2HB ASN 971 2HB ASN 971 -14.787 0.421 -4.689 105 1HD2 ASN 971 2HD2 ASN 971 -15.673 -2.320 -5.068 106 2HD2 ASN 971 1HD2 ASN 971 -16.524 -2.347 -6.571 107 H GLY 972 H GLY 972 -10.583 0.708 -6.175 108 1HA GLY 972 1HA GLY 972 -10.340 1.913 -3.496 109 2HA GLY 972 2HA GLY 972 -9.385 0.503 -3.921 110 H MET 973 H MET 973 -8.341 2.992 -3.072 111 HA MET 973 HA MET 973 -6.486 3.421 -5.242 112 1HB MET 973 2HB MET 973 -6.750 5.888 -5.221 113 2HB MET 973 1HB MET 973 -8.166 5.052 -5.844 114 1HG MET 973 2HG MET 973 -9.294 5.344 -3.708 115 2HG MET 973 1HG MET 973 -7.870 6.155 -3.059 116 1HE MET 973 1HE MET 973 -7.740 9.412 -5.238 117 2HE MET 973 2HE MET 973 -6.925 7.883 -5.564 118 3HE MET 973 3HE MET 973 -6.989 8.513 -3.919 119 H VAL 974 H VAL 974 -4.494 3.681 -4.445 120 HA VAL 974 HA VAL 974 -4.092 3.579 -1.628 121 HB VAL 974 HB VAL 974 -1.650 3.786 -2.233 122 1HG1 VAL 974 1HG2 VAL 974 -3.273 1.637 -3.583 123 2HG1 VAL 974 2HG2 VAL 974 -2.699 1.632 -1.915 124 3HG1 VAL 974 3HG2 VAL 974 -1.544 1.550 -3.246 125 1HG2 VAL 974 1HG1 VAL 974 -2.752 3.715 -5.039 126 2HG2 VAL 974 2HG1 VAL 974 -1.053 3.544 -4.597 127 3HG2 VAL 974 3HG1 VAL 974 -1.895 5.063 -4.289 128 H HIS 975 H HIS 975 -2.237 5.044 -0.721 129 HA HIS 975 HA HIS 975 -2.518 7.823 -1.545 130 1HB HIS 975 2HB HIS 975 -4.370 7.433 0.053 131 2HB HIS 975 1HB HIS 975 -3.200 6.915 1.260 132 HD1 HIS 975 1HD HIS 975 -4.731 9.921 -0.232 133 HD2 HIS 975 2HD HIS 975 -1.548 9.015 2.279 134 HE1 HIS 975 1HE HIS 975 -4.070 12.103 0.828 135 HE2 HIS 975 2HE HIS 975 -2.200 11.515 2.410 136 H VAL 976 H VAL 976 -0.326 7.837 -2.021 137 HA VAL 976 HA VAL 976 1.666 6.945 -0.202 138 HB VAL 976 HB VAL 976 3.202 8.263 -1.713 139 1HG1 VAL 976 1HG2 VAL 976 1.380 6.229 -2.982 140 2HG1 VAL 976 2HG2 VAL 976 2.821 5.885 -2.024 141 3HG1 VAL 976 3HG2 VAL 976 2.972 6.695 -3.583 142 1HG2 VAL 976 1HG1 VAL 976 0.655 8.688 -3.259 143 2HG2 VAL 976 2HG1 VAL 976 2.280 9.048 -3.841 144 3HG2 VAL 976 3HG1 VAL 976 1.616 9.939 -2.470 145 H ILE 977 H ILE 977 2.780 8.036 1.333 146 HA ILE 977 HA ILE 977 1.678 10.201 2.636 147 HB ILE 977 HB ILE 977 4.597 9.424 2.619 148 1HG1 ILE 977 2HG1 ILE 977 3.135 7.547 3.210 149 2HG1 ILE 977 1HG1 ILE 977 4.040 8.101 4.615 150 1HG2 ILE 977 1HG2 ILE 977 3.004 11.011 4.629 151 2HG2 ILE 977 2HG2 ILE 977 4.253 11.641 3.554 152 3HG2 ILE 977 3HG2 ILE 977 4.679 10.494 4.823 153 1HD1 ILE 977 1HD1 ILE 977 1.168 8.756 4.003 154 2HD1 ILE 977 2HD1 ILE 977 2.076 9.298 5.416 155 3HD1 ILE 977 3HD1 ILE 977 1.740 7.581 5.188 156 H THR 978 H THR 978 4.823 10.454 0.987 157 HA THR 978 HA THR 978 3.945 12.885 -0.362 158 HB THR 978 HB THR 978 6.399 12.859 1.411 159 HG1 THR 978 1HG THR 978 4.625 14.765 2.031 160 1HG2 THR 978 1HG2 THR 978 5.176 15.071 -0.245 161 2HG2 THR 978 2HG2 THR 978 6.683 14.227 -0.599 162 3HG2 THR 978 3HG2 THR 978 6.556 15.239 0.840 163 H ASP 979 H ASP 979 6.358 10.393 0.149 164 HA ASP 979 HA ASP 979 7.008 10.509 -2.699 165 1HB ASP 979 1HB ASP 979 9.092 10.433 -0.504 166 2HB ASP 979 2HB ASP 979 9.421 10.253 -2.225 167 H ILE 980 H ILE 980 8.654 8.537 -3.094 168 HA ILE 980 HA ILE 980 7.488 6.207 -1.715 169 HB ILE 980 HB ILE 980 8.472 6.219 -4.568 170 1HG1 ILE 980 1HG1 ILE 980 5.619 6.392 -3.568 171 2HG1 ILE 980 2HG1 ILE 980 6.516 7.722 -4.294 172 1HG2 ILE 980 1HG2 ILE 980 7.241 4.101 -4.705 173 2HG2 ILE 980 2HG2 ILE 980 6.814 4.245 -3.000 174 3HG2 ILE 980 3HG2 ILE 980 8.500 4.045 -3.472 175 1HD1 ILE 980 1HD1 ILE 980 5.777 5.143 -5.655 176 2HD1 ILE 980 2HD1 ILE 980 6.678 6.473 -6.382 177 3HD1 ILE 980 3HD1 ILE 980 5.001 6.709 -5.891 178 H GLN 981 H GLN 981 9.457 6.871 -0.333 179 HA GLN 981 HA GLN 981 11.863 5.521 -1.371 180 1HB GLN 981 1HB GLN 981 13.175 6.967 0.133 181 2HB GLN 981 2HB GLN 981 12.261 7.899 -1.046 182 1HG GLN 981 2HG GLN 981 10.557 8.355 0.664 183 2HG GLN 981 1HG GLN 981 11.526 7.470 1.841 184 1HE2 GLN 981 1HE2 GLN 981 12.911 9.493 -0.639 185 2HE2 GLN 981 2HE2 GLN 981 13.489 10.731 0.417 186 H VAL 982 H VAL 982 13.067 4.229 0.076 187 HA VAL 982 HA VAL 982 11.575 2.614 1.801 188 HB VAL 982 HB VAL 982 13.617 1.786 0.815 189 1HG1 VAL 982 1HG2 VAL 982 15.821 2.585 1.525 190 2HG1 VAL 982 2HG2 VAL 982 15.050 3.833 2.503 191 3HG1 VAL 982 3HG2 VAL 982 14.884 3.862 0.748 192 1HG2 VAL 982 1HG1 VAL 982 13.860 1.962 3.816 193 2HG2 VAL 982 2HG1 VAL 982 14.686 0.793 2.785 194 3HG2 VAL 982 3HG1 VAL 982 12.927 0.769 2.913 195 H GLY 983 H GLY 983 10.982 2.798 3.867 196 1HA GLY 983 1HA GLY 983 11.621 3.440 6.159 197 2HA GLY 983 2HA GLY 983 12.244 4.934 5.474 198 H SER 984 H SER 984 9.795 4.891 3.633 199 HA SER 984 HA SER 984 8.121 6.461 5.386 200 1HB SER 984 2HB SER 984 6.817 6.933 3.344 201 2HB SER 984 1HB SER 984 8.538 7.226 3.093 202 HG SER 984 HG SER 984 6.984 5.696 1.661 203 H ARG 985 H ARG 985 5.607 6.111 4.813 204 HA ARG 985 HA ARG 985 4.913 3.286 4.848 205 1HB ARG 985 2HB ARG 985 5.337 3.846 7.211 206 2HB ARG 985 1HB ARG 985 4.157 5.146 7.109 207 1HG ARG 985 2HG ARG 985 2.391 3.525 6.673 208 2HG ARG 985 1HG ARG 985 3.572 2.214 6.745 209 1HD ARG 985 1HD ARG 985 4.071 2.792 9.068 210 2HD ARG 985 2HD ARG 985 2.893 4.102 8.997 211 HE ARG 985 HE ARG 985 1.546 1.794 8.288 212 1HH1 ARG 985 1HH1 ARG 985 3.264 3.008 11.066 213 2HH1 ARG 985 2HH1 ARG 985 2.319 2.108 12.205 214 1HH2 ARG 985 1HH2 ARG 985 0.297 0.606 9.780 215 2HH2 ARG 985 2HH2 ARG 985 0.633 0.742 11.474 216 H ILE 986 H ILE 986 3.911 3.788 2.852 217 HA ILE 986 HA ILE 986 1.820 5.711 2.630 218 HB ILE 986 HB ILE 986 1.257 4.591 0.524 219 1HG1 ILE 986 1HG1 ILE 986 3.397 2.590 1.278 220 2HG1 ILE 986 2HG1 ILE 986 1.666 2.269 1.320 221 1HG2 ILE 986 1HG2 ILE 986 3.061 6.212 0.534 222 2HG2 ILE 986 2HG2 ILE 986 3.413 4.917 -0.612 223 3HG2 ILE 986 3HG2 ILE 986 4.219 4.950 0.956 224 1HD1 ILE 986 1HD1 ILE 986 2.698 1.355 -0.680 225 2HD1 ILE 986 2HD1 ILE 986 3.263 2.963 -1.132 226 3HD1 ILE 986 3HD1 ILE 986 1.535 2.617 -1.083 227 H THR 987 H THR 987 -0.435 4.884 1.869 228 HA THR 987 HA THR 987 -1.327 2.811 3.767 229 HB THR 987 HB THR 987 -3.409 4.076 4.096 230 HG1 THR 987 1HG THR 987 -3.154 5.240 2.010 231 1HG2 THR 987 1HG2 THR 987 -0.918 5.693 4.652 232 2HG2 THR 987 2HG2 THR 987 -1.577 4.415 5.673 233 3HG2 THR 987 3HG2 THR 987 -2.480 5.911 5.441 234 H TYR 988 H TYR 988 -3.674 2.132 3.210 235 HA TYR 988 HA TYR 988 -4.008 1.857 0.312 236 1HB TYR 988 1HB TYR 988 -2.758 -0.103 1.737 237 2HB TYR 988 2HB TYR 988 -4.436 -0.628 1.842 238 HD1 TYR 988 1HD TYR 988 -5.739 -0.856 -0.361 239 HD2 TYR 988 2HD TYR 988 -1.501 -0.548 -0.169 240 HE1 TYR 988 1HE TYR 988 -5.572 -1.835 -2.612 241 HE2 TYR 988 2HE TYR 988 -1.322 -1.525 -2.419 242 HH TYR 988 HH TYR 988 -2.645 -2.948 -3.921 243 H SER 989 H SER 989 -5.905 3.029 0.322 244 HA SER 989 HA SER 989 -8.039 2.086 2.122 245 1HB SER 989 1HB SER 989 -8.981 4.366 1.958 246 2HB SER 989 2HB SER 989 -7.344 4.376 2.614 247 HG SER 989 HG SER 989 -7.167 4.576 -0.024 248 H CYS 990 H CYS 990 -9.831 1.273 1.250 249 HA CYS 990 HA CYS 990 -10.258 1.435 -1.623 250 1HB CYS 990 2HB CYS 990 -11.778 -0.025 0.547 251 2HB CYS 990 1HB CYS 990 -12.166 -0.104 -1.168 252 H THR 991 H THR 991 -12.948 1.442 -1.897 253 HA THR 991 HA THR 991 -13.651 4.174 -1.453 254 HB THR 991 HB THR 991 -14.494 3.144 -3.438 255 HG1 THR 991 1HG THR 991 -16.856 3.190 -1.934 256 1HG2 THR 991 1HG2 THR 991 -14.491 0.820 -2.717 257 2HG2 THR 991 2HG2 THR 991 -16.069 1.252 -3.376 258 3HG2 THR 991 3HG2 THR 991 -15.844 1.137 -1.630 259 H THR 992 H THR 992 -15.374 4.991 -0.197 260 HA THR 992 HA THR 992 -15.424 4.056 2.433 261 HB THR 992 HB THR 992 -17.450 5.867 1.102 262 HG1 THR 992 1HG THR 992 -16.054 7.486 1.509 263 1HG2 THR 992 1HG2 THR 992 -16.703 5.527 4.010 264 2HG2 THR 992 2HG2 THR 992 -18.219 5.022 3.263 265 3HG2 THR 992 3HG2 THR 992 -17.817 6.736 3.370 266 H GLY 993 H GLY 993 -16.201 2.113 2.982 267 1HA GLY 993 2HA GLY 993 -18.426 1.154 3.636 268 2HA GLY 993 1HA GLY 993 -18.863 1.354 1.946 269 H HIS 994 H HIS 994 -15.644 0.495 2.180 270 HA HIS 994 HA HIS 994 -16.238 -2.379 2.012 271 1HB HIS 994 1HB HIS 994 -14.519 -0.818 0.070 272 2HB HIS 994 2HB HIS 994 -14.701 -2.570 0.083 273 HD1 HIS 994 1HD HIS 994 -17.020 0.446 -0.167 274 HD2 HIS 994 2HD HIS 994 -16.575 -3.403 -1.669 275 HE1 HIS 994 1HE HIS 994 -18.897 0.145 -1.813 276 HE2 HIS 994 2HE HIS 994 -18.559 -2.161 -2.768 277 H ARG 995 H ARG 995 -15.181 -3.218 3.690 278 HA ARG 995 HA ARG 995 -12.802 -2.014 4.753 279 1HB ARG 995 1HB ARG 995 -12.871 -3.909 6.366 280 2HB ARG 995 2HB ARG 995 -14.368 -2.991 6.295 281 1HG ARG 995 2HG ARG 995 -15.201 -5.107 6.292 282 2HG ARG 995 1HG ARG 995 -15.035 -4.850 4.554 283 1HD ARG 995 1HD ARG 995 -14.172 -7.034 5.193 284 2HD ARG 995 2HD ARG 995 -12.879 -5.999 4.587 285 HE ARG 995 HE ARG 995 -12.841 -5.644 7.298 286 1HH1 ARG 995 1HH1 ARG 995 -12.594 -8.382 5.156 287 2HH1 ARG 995 2HH1 ARG 995 -11.582 -9.292 6.229 288 1HH2 ARG 995 1HH2 ARG 995 -11.511 -6.835 8.714 289 2HH2 ARG 995 2HH2 ARG 995 -10.968 -8.413 8.251 290 H LEU 996 H LEU 996 -10.723 -2.867 4.810 291 HA LEU 996 HA LEU 996 -9.983 -4.369 2.484 292 1HB LEU 996 2HB LEU 996 -8.306 -3.356 4.777 293 2HB LEU 996 1HB LEU 996 -7.702 -3.964 3.256 294 HG LEU 996 HG LEU 996 -9.590 -1.731 2.998 295 1HD1 LEU 996 1HD1 LEU 996 -6.882 -1.309 4.253 296 2HD1 LEU 996 2HD1 LEU 996 -8.440 -1.038 5.030 297 3HD1 LEU 996 3HD1 LEU 996 -7.953 -0.040 3.661 298 1HD2 LEU 996 1HD2 LEU 996 -6.834 -2.264 1.894 299 2HD2 LEU 996 2HD2 LEU 996 -7.935 -0.988 1.371 300 3HD2 LEU 996 3HD2 LEU 996 -8.359 -2.680 1.111 301 H ILE 997 H ILE 997 -9.243 -6.439 2.371 302 HA ILE 997 HA ILE 997 -9.153 -7.990 4.868 303 HB ILE 997 HB ILE 997 -9.201 -9.088 2.055 304 1HG1 ILE 997 1HG1 ILE 997 -11.615 -9.727 2.824 305 2HG1 ILE 997 2HG1 ILE 997 -11.423 -8.385 3.947 306 1HG2 ILE 997 1HG2 ILE 997 -8.255 -10.597 3.708 307 2HG2 ILE 997 2HG2 ILE 997 -9.828 -11.183 3.166 308 3HG2 ILE 997 3HG2 ILE 997 -9.675 -10.389 4.734 309 1HD1 ILE 997 1HD1 ILE 997 -11.212 -8.215 0.952 310 2HD1 ILE 997 2HD1 ILE 997 -11.029 -6.872 2.081 311 3HD1 ILE 997 3HD1 ILE 997 -12.583 -7.695 1.932 312 H GLY 998 H GLY 998 -7.045 -6.659 5.043 313 1HA GLY 998 2HA GLY 998 -4.846 -8.377 4.367 314 2HA GLY 998 1HA GLY 998 -4.858 -6.896 3.424 315 H HIS 999 H HIS 999 -3.698 -5.285 4.232 316 HA HIS 999 HA HIS 999 -2.948 -5.434 7.070 317 1HB HIS 999 2HB HIS 999 -1.174 -5.739 5.255 318 2HB HIS 999 1HB HIS 999 -1.389 -4.026 4.908 319 HD1 HIS 999 1HD HIS 999 0.210 -2.571 6.101 320 HD2 HIS 999 2HD HIS 999 -0.541 -6.087 8.176 321 HE1 HIS 999 1HE HIS 999 1.685 -2.475 8.136 322 HE2 HIS 999 2HE HIS 999 1.288 -4.660 9.327 323 H SER1000 H SER1000 -4.476 -3.505 4.693 324 HA SER1000 HA SER1000 -5.355 -1.409 4.671 325 1HB SER1000 2HB SER1000 -6.463 -2.172 6.740 326 2HB SER1000 1HB SER1000 -5.082 -1.610 7.681 327 HG SER1000 HG SER1000 -5.660 0.430 7.356 328 H SER1001 H SER1001 -2.367 -1.917 4.836 329 HA SER1001 HA SER1001 -1.486 0.762 4.710 330 1HB SER1001 1HB SER1001 -1.719 0.637 7.166 331 2HB SER1001 2HB SER1001 -0.635 -0.754 7.192 332 HG SER1001 HG SER1001 0.101 1.768 6.134 333 H ALA1002 H ALA1002 1.100 0.731 4.859 334 HA ALA1002 HA ALA1002 2.266 -1.775 4.028 335 1HB ALA1002 1HB ALA1002 1.193 -0.974 1.956 336 2HB ALA1002 2HB ALA1002 2.950 -1.070 1.824 337 3HB ALA1002 3HB ALA1002 2.167 0.495 2.048 338 H GLU1003 H GLU1003 4.535 -1.750 3.969 339 HA GLU1003 HA GLU1003 5.909 0.763 4.510 340 1HB GLU1003 2HB GLU1003 5.389 -0.151 6.735 341 2HB GLU1003 1HB GLU1003 6.185 -1.657 6.303 342 1HG GLU1003 1HG GLU1003 8.307 -0.474 6.072 343 2HG GLU1003 2HG GLU1003 7.509 1.038 6.500 344 H CYS1004 H CYS1004 7.503 0.874 3.082 345 HA CYS1004 HA CYS1004 8.219 -1.301 1.447 346 1HB CYS1004 1HB CYS1004 8.343 1.069 0.738 347 2HB CYS1004 2HB CYS1004 9.701 1.308 1.833 348 H ILE1005 H ILE1005 9.209 -3.032 2.284 349 HA ILE1005 HA ILE1005 11.475 -2.646 4.102 350 HB ILE1005 HB ILE1005 11.320 -5.119 4.443 351 1HG1 ILE1005 1HG1 ILE1005 8.737 -4.830 2.891 352 2HG1 ILE1005 2HG1 ILE1005 10.189 -5.619 2.284 353 1HG2 ILE1005 1HG2 ILE1005 10.313 -3.568 6.013 354 2HG2 ILE1005 2HG2 ILE1005 9.309 -5.008 5.844 355 3HG2 ILE1005 3HG2 ILE1005 8.842 -3.509 5.040 356 1HD1 ILE1005 1HD1 ILE1005 8.570 -6.498 4.662 357 2HD1 ILE1005 2HD1 ILE1005 10.023 -7.290 4.050 358 3HD1 ILE1005 3HD1 ILE1005 8.562 -7.240 3.062 359 H LEU1006 H LEU1006 12.931 -4.889 3.704 360 HA LEU1006 HA LEU1006 14.729 -5.619 2.529 361 1HB LEU1006 2HB LEU1006 12.918 -5.225 0.149 362 2HB LEU1006 1HB LEU1006 14.388 -6.179 0.173 363 HG LEU1006 HG LEU1006 11.776 -6.772 1.550 364 1HD1 LEU1006 1HD2 LEU1006 13.432 -8.312 -0.440 365 2HD1 LEU1006 2HD2 LEU1006 11.953 -7.422 -0.792 366 3HD1 LEU1006 3HD2 LEU1006 11.901 -8.835 0.260 367 1HD2 LEU1006 1HD1 LEU1006 13.574 -7.238 3.132 368 2HD2 LEU1006 2HD1 LEU1006 14.416 -8.187 1.907 369 3HD2 LEU1006 3HD1 LEU1006 12.860 -8.734 2.530 370 H SER1007 H SER1007 15.850 -5.014 0.122 371 HA SER1007 HA SER1007 16.231 -2.217 -0.235 372 1HB SER1007 1HB SER1007 18.195 -3.670 1.553 373 2HB SER1007 2HB SER1007 18.513 -2.104 0.806 374 HG SER1007 HG SER1007 16.505 -1.426 1.904 375 H GLY1008 H GLY1008 18.470 -1.833 -1.343 376 1HA GLY1008 1HA GLY1008 19.851 -2.281 -3.120 377 2HA GLY1008 2HA GLY1008 19.874 -3.939 -2.541 378 H ASN1009 H ASN1009 19.389 -5.301 -4.119 379 HA ASN1009 HA ASN1009 17.970 -4.542 -6.455 380 1HB ASN1009 2HB ASN1009 19.661 -6.317 -6.489 381 2HB ASN1009 1HB ASN1009 18.662 -7.299 -5.422 382 1HD2 ASN1009 1HD2 ASN1009 19.057 -6.046 -8.634 383 2HD2 ASN1009 2HD2 ASN1009 17.897 -7.073 -9.397 384 H THR1010 H THR1010 17.011 -5.705 -3.383 385 HA THR1010 HA THR1010 14.331 -6.377 -4.341 386 HB THR1010 HB THR1010 14.126 -6.930 -1.761 387 HG1 THR1010 1HG THR1010 16.490 -7.918 -1.498 388 1HG2 THR1010 1HG2 THR1010 13.866 -8.552 -3.569 389 2HG2 THR1010 2HG2 THR1010 14.823 -9.233 -2.253 390 3HG2 THR1010 3HG2 THR1010 15.619 -8.672 -3.723 391 H ALA1011 H ALA1011 12.475 -5.481 -3.312 392 HA ALA1011 HA ALA1011 12.462 -3.381 -1.473 393 1HB ALA1011 1HB ALA1011 13.703 -2.140 -3.176 394 2HB ALA1011 2HB ALA1011 12.108 -1.441 -2.903 395 3HB ALA1011 3HB ALA1011 12.405 -2.427 -4.334 396 H HIS1012 H HIS1012 10.557 -4.048 -0.690 397 HA HIS1012 HA HIS1012 8.262 -4.231 -2.511 398 1HB HIS1012 1HB HIS1012 9.054 -6.379 -0.531 399 2HB HIS1012 2HB HIS1012 7.604 -6.384 -1.529 400 HD1 HIS1012 1HD HIS1012 7.801 -7.402 -3.801 401 HD2 HIS1012 2HD HIS1012 11.511 -6.627 -2.087 402 HE1 HIS1012 1HE HIS1012 9.487 -8.447 -5.346 403 HE2 HIS1012 2HE HIS1012 11.726 -7.897 -4.331 404 H TRP1013 H TRP1013 6.182 -4.500 -1.275 405 HA TRP1013 HA TRP1013 6.291 -2.950 1.220 406 1HB TRP1013 2HB TRP1013 3.954 -3.425 -0.643 407 2HB TRP1013 1HB TRP1013 3.925 -2.423 0.805 408 HD1 TRP1013 HD TRP1013 4.961 -2.382 -2.834 409 HE1 TRP1013 1HE TRP1013 5.758 -0.016 -3.463 410 HE3 TRP1013 3HE TRP1013 5.111 -0.302 1.835 411 HZ2 TRP1013 2HZ TRP1013 6.374 2.408 -2.158 412 HZ3 TRP1013 3HZ TRP1013 5.814 2.046 2.058 413 HH2 TRP1013 HH TRP1013 6.432 3.371 0.103 414 H SER1014 H SER1014 5.598 -3.801 3.098 415 HA SER1014 HA SER1014 5.696 -6.581 3.335 416 1HB SER1014 2HB SER1014 4.675 -4.548 5.334 417 2HB SER1014 1HB SER1014 5.115 -6.214 5.708 418 HG SER1014 HG SER1014 7.057 -5.480 5.947 419 H THR1015 H THR1015 3.069 -4.587 2.518 420 HA THR1015 HA THR1015 1.030 -6.306 3.644 421 HB THR1015 HB THR1015 0.591 -3.918 3.567 422 HG1 THR1015 1HG THR1015 -1.368 -4.197 1.982 423 1HG2 THR1015 1HG2 THR1015 0.775 -4.203 0.565 424 2HG2 THR1015 2HG2 THR1015 1.916 -3.343 1.596 425 3HG2 THR1015 3HG2 THR1015 0.261 -2.755 1.429 426 H LYS1016 H LYS1016 -0.235 -7.748 2.580 427 HA LYS1016 HA LYS1016 0.496 -8.520 -0.120 428 1HB LYS1016 1HB LYS1016 -1.113 -10.346 0.207 429 2HB LYS1016 2HB LYS1016 0.033 -10.261 1.538 430 1HG LYS1016 1HG LYS1016 -2.193 -8.653 2.224 431 2HG LYS1016 2HG LYS1016 -2.805 -10.196 1.623 432 1HD LYS1016 1HD LYS1016 -2.469 -10.352 4.003 433 2HD LYS1016 2HD LYS1016 -1.277 -11.363 3.184 434 1HE LYS1016 1HE LYS1016 0.399 -9.603 3.453 435 2HE LYS1016 2HE LYS1016 -0.793 -8.590 4.266 436 1HZ LYS1016 1HZ LYS1016 -0.957 -10.242 6.017 437 2HZ LYS1016 2HZ LYS1016 0.644 -9.721 5.846 438 3HZ LYS1016 3HZ LYS1016 0.175 -11.226 5.234 439 HA PRO1017 HA PRO1017 -2.526 -6.235 -2.370 440 1HB PRO1017 1HB PRO1017 -3.557 -8.255 -3.984 441 2HB PRO1017 2HB PRO1017 -2.118 -7.295 -4.338 442 1HG PRO1017 2HG PRO1017 -2.334 -10.027 -3.153 443 2HG PRO1017 1HG PRO1017 -1.143 -9.389 -4.303 444 1HD PRO1017 2HD PRO1017 -0.540 -9.717 -1.715 445 2HD PRO1017 1HD PRO1017 0.081 -8.330 -2.636 446 HA PRO1018 HA PRO1018 -5.953 -7.568 0.273 447 1HB PRO1018 2HB PRO1018 -6.878 -5.139 0.903 448 2HB PRO1018 1HB PRO1018 -5.371 -5.755 1.592 449 1HG PRO1018 2HG PRO1018 -5.782 -3.828 -0.661 450 2HG PRO1018 1HG PRO1018 -4.595 -3.775 0.655 451 1HD PRO1018 1HD PRO1018 -4.061 -4.677 -1.897 452 2HD PRO1018 2HD PRO1018 -3.137 -5.138 -0.455 453 H ILE1019 H ILE1019 -8.351 -6.855 0.354 454 HA ILE1019 HA ILE1019 -9.314 -6.295 -2.378 455 HB ILE1019 HB ILE1019 -10.771 -8.106 -0.468 456 1HG1 ILE1019 1HG1 ILE1019 -8.555 -9.091 -0.898 457 2HG1 ILE1019 2HG1 ILE1019 -9.832 -10.028 -1.666 458 1HG2 ILE1019 1HG2 ILE1019 -10.923 -7.732 -3.454 459 2HG2 ILE1019 2HG2 ILE1019 -12.090 -7.152 -2.265 460 3HG2 ILE1019 3HG2 ILE1019 -11.873 -8.885 -2.516 461 1HD1 ILE1019 1HD1 ILE1019 -9.300 -8.999 -3.811 462 2HD1 ILE1019 2HD1 ILE1019 -7.902 -9.818 -3.116 463 3HD1 ILE1019 3HD1 ILE1019 -8.020 -8.061 -3.043 464 H CYS1020 H CYS1020 -11.577 -5.488 -2.421 465 HA CYS1020 HA CYS1020 -12.085 -3.763 -0.087 466 1HB CYS1020 1HB CYS1020 -12.877 -3.227 -2.957 467 2HB CYS1020 2HB CYS1020 -13.030 -2.122 -1.594 468 H GLN1021 H GLN1021 -13.335 -5.517 0.831 469 HA GLN1021 HA GLN1021 -15.822 -6.181 -0.557 470 1HB GLN1021 2HB GLN1021 -14.520 -8.041 0.354 471 2HB GLN1021 1HB GLN1021 -14.598 -7.328 1.959 472 1HG GLN1021 2HG GLN1021 -16.191 -9.068 1.894 473 2HG GLN1021 1HG GLN1021 -17.087 -7.552 1.840 474 1HE2 GLN1021 1HE2 GLN1021 -17.880 -10.220 0.981 475 2HE2 GLN1021 2HE2 GLN1021 -18.297 -10.083 -0.690 476 H ARG1022 H ARG1022 -17.800 -5.560 0.128 477 HA ARG1022 HA ARG1022 -18.079 -3.304 1.764 478 1HB ARG1022 1HB ARG1022 -19.700 -3.924 0.024 479 2HB ARG1022 2HB ARG1022 -20.177 -5.330 0.965 480 1HG ARG1022 1HG ARG1022 -20.991 -3.866 2.745 481 2HG ARG1022 2HG ARG1022 -20.517 -2.455 1.795 482 1HD ARG1022 2HD ARG1022 -22.899 -2.894 1.564 483 2HD ARG1022 1HD ARG1022 -22.065 -3.122 0.027 484 HE ARG1022 HE ARG1022 -22.224 -5.589 1.359 485 1HH1 ARG1022 1HH1 ARG1022 -24.269 -3.272 -0.250 486 2HH1 ARG1022 2HH1 ARG1022 -25.437 -4.453 -0.744 487 1HH2 ARG1022 1HH2 ARG1022 -23.756 -7.150 0.713 488 2HH2 ARG1022 2HH2 ARG1022 -25.145 -6.656 -0.196 489 H ILE1023 H ILE1023 -18.396 -3.022 3.888 490 HA ILE1023 HA ILE1023 -17.824 -5.084 5.709 491 HB ILE1023 HB ILE1023 -19.193 -2.454 6.289 492 1HG1 ILE1023 1HG1 ILE1023 -16.246 -3.146 6.350 493 2HG1 ILE1023 2HG1 ILE1023 -17.032 -2.214 5.080 494 1HG2 ILE1023 1HG2 ILE1023 -18.269 -2.743 8.545 495 2HG2 ILE1023 2HG2 ILE1023 -17.649 -4.327 8.081 496 3HG2 ILE1023 3HG2 ILE1023 -19.388 -4.037 8.121 497 1HD1 ILE1023 1HD1 ILE1023 -17.605 -0.485 6.694 498 2HD1 ILE1023 2HD1 ILE1023 -15.866 -0.774 6.648 499 3HD1 ILE1023 3HD1 ILE1023 -16.832 -1.421 7.974 500 HA PRO1024 HA PRO1024 -21.862 -6.990 5.900 501 1HB PRO1024 1HB PRO1024 -21.327 -8.698 7.943 502 2HB PRO1024 2HB PRO1024 -20.767 -8.972 6.289 503 1HG PRO1024 2HG PRO1024 -19.283 -7.843 8.632 504 2HG PRO1024 1HG PRO1024 -18.736 -9.017 7.422 505 1HD PRO1024 2HD PRO1024 -18.063 -6.396 7.319 506 2HD PRO1024 1HD PRO1024 -18.281 -7.384 5.860 Start of MODEL 18 1 1H GLU 957 1HT GLU 957 19.538 8.016 -1.091 2 2H GLU 957 2HT GLU 957 19.995 9.542 -1.659 3 3H GLU 957 3HT GLU 957 20.304 9.113 -0.054 4 HA GLU 957 HA GLU 957 22.320 9.001 -1.335 5 1HB GLU 957 1HB GLU 957 21.137 6.383 -0.420 6 2HB GLU 957 2HB GLU 957 22.798 6.510 -0.978 7 1HG GLU 957 1HG GLU 957 22.770 6.606 1.409 8 2HG GLU 957 2HG GLU 957 23.219 8.191 0.781 9 H ALA 958 H ALA 958 22.603 9.358 -3.444 10 HA ALA 958 HA ALA 958 22.820 8.981 -5.672 11 1HB ALA 958 1HB ALA 958 23.065 6.689 -6.451 12 2HB ALA 958 2HB ALA 958 22.400 6.087 -4.933 13 3HB ALA 958 3HB ALA 958 23.949 6.932 -4.945 14 H GLU 959 H GLU 959 20.587 6.287 -5.173 15 HA GLU 959 HA GLU 959 18.700 7.628 -6.976 16 1HB GLU 959 2HB GLU 959 18.900 4.717 -6.186 17 2HB GLU 959 1HB GLU 959 17.741 5.384 -7.328 18 1HG GLU 959 2HG GLU 959 19.563 6.049 -8.803 19 2HG GLU 959 1HG GLU 959 20.733 5.399 -7.654 20 H ALA 960 H ALA 960 16.833 8.387 -6.235 21 HA ALA 960 HA ALA 960 16.074 7.860 -3.475 22 1HB ALA 960 1HB ALA 960 16.092 10.171 -4.284 23 2HB ALA 960 2HB ALA 960 14.478 9.678 -3.771 24 3HB ALA 960 3HB ALA 960 14.871 9.758 -5.488 25 H LYS 961 H LYS 961 14.086 7.028 -2.836 26 HA LYS 961 HA LYS 961 12.272 5.664 -2.900 27 1HB LYS 961 2HB LYS 961 12.099 6.521 -5.794 28 2HB LYS 961 1HB LYS 961 10.836 5.689 -4.899 29 1HG LYS 961 2HG LYS 961 10.633 7.592 -3.391 30 2HG LYS 961 1HG LYS 961 11.919 8.426 -4.266 31 1HD LYS 961 2HD LYS 961 10.550 8.399 -6.298 32 2HD LYS 961 1HD LYS 961 9.263 7.571 -5.417 33 1HE LYS 961 2HE LYS 961 9.067 9.486 -3.907 34 2HE LYS 961 1HE LYS 961 10.353 10.312 -4.785 35 1HZ LYS 961 1HZ LYS 961 8.964 10.300 -6.762 36 2HZ LYS 961 2HZ LYS 961 8.176 11.079 -5.485 37 3HZ LYS 961 3HZ LYS 961 7.729 9.507 -5.919 38 H SER 962 H SER 962 11.904 3.502 -3.166 39 HA SER 962 HA SER 962 13.426 2.064 -5.206 40 1HB SER 962 1HB SER 962 14.883 2.132 -3.222 41 2HB SER 962 2HB SER 962 13.594 1.419 -2.252 42 HG SER 962 HG SER 962 14.768 -0.298 -2.847 43 H CYS 963 H CYS 963 10.720 2.366 -3.134 44 HA CYS 963 HA CYS 963 9.746 -0.316 -3.762 45 1HB CYS 963 2HB CYS 963 8.685 1.842 -1.932 46 2HB CYS 963 1HB CYS 963 7.854 0.318 -2.228 47 H LYS 964 H LYS 964 8.346 -0.700 -5.340 48 HA LYS 964 HA LYS 964 7.400 1.427 -7.008 49 1HB LYS 964 2HB LYS 964 6.734 -1.523 -7.044 50 2HB LYS 964 1HB LYS 964 6.337 -0.373 -8.313 51 1HG LYS 964 2HG LYS 964 8.706 0.009 -8.727 52 2HG LYS 964 1HG LYS 964 9.120 -1.114 -7.431 53 1HD LYS 964 1HD LYS 964 7.545 -1.840 -9.899 54 2HD LYS 964 2HD LYS 964 9.274 -2.125 -9.688 55 1HE LYS 964 1HE LYS 964 8.803 -3.548 -7.754 56 2HE LYS 964 2HE LYS 964 7.076 -3.263 -7.963 57 1HZ LYS 964 1HZ LYS 964 7.743 -5.374 -8.919 58 2HZ LYS 964 2HZ LYS 964 8.854 -4.597 -9.932 59 3HZ LYS 964 3HZ LYS 964 7.196 -4.324 -10.129 60 H THR 965 H THR 965 5.510 2.464 -6.936 61 HA THR 965 HA THR 965 3.800 2.363 -4.762 62 HB THR 965 HB THR 965 2.219 3.690 -6.074 63 HG1 THR 965 1HG THR 965 2.251 3.687 -8.214 64 1HG2 THR 965 1HG2 THR 965 4.189 4.815 -5.168 65 2HG2 THR 965 2HG2 THR 965 3.717 5.527 -6.711 66 3HG2 THR 965 3HG2 THR 965 5.095 4.428 -6.631 67 HA PRO 966 HA PRO 966 1.534 -1.342 -5.378 68 1HB PRO 966 2HB PRO 966 -0.621 -0.187 -3.757 69 2HB PRO 966 1HB PRO 966 0.442 -1.550 -3.399 70 1HG PRO 966 2HG PRO 966 0.644 0.805 -2.105 71 2HG PRO 966 1HG PRO 966 2.052 -0.219 -2.440 72 1HD PRO 966 2HD PRO 966 1.125 2.249 -3.856 73 2HD PRO 966 1HD PRO 966 2.776 1.741 -3.438 74 HA PRO 967 HA PRO 967 -1.333 -0.326 -8.654 75 1HB PRO 967 2HB PRO 967 -2.252 -2.844 -9.106 76 2HB PRO 967 1HB PRO 967 -0.675 -2.280 -9.671 77 1HG PRO 967 2HG PRO 967 -1.350 -3.914 -7.254 78 2HG PRO 967 1HG PRO 967 -0.025 -4.127 -8.412 79 1HD PRO 967 2HD PRO 967 0.335 -2.965 -5.997 80 2HD PRO 967 1HD PRO 967 1.265 -2.484 -7.431 81 H ASP 968 H ASP 968 -3.271 0.554 -8.368 82 HA ASP 968 HA ASP 968 -4.828 0.140 -6.063 83 1HB ASP 968 2HB ASP 968 -5.653 1.408 -8.684 84 2HB ASP 968 1HB ASP 968 -6.477 1.599 -7.139 85 HA PRO 969 HA PRO 969 -6.816 -3.645 -7.527 86 1HB PRO 969 2HB PRO 969 -8.127 -3.543 -4.899 87 2HB PRO 969 1HB PRO 969 -7.088 -4.795 -5.584 88 1HG PRO 969 1HG PRO 969 -6.259 -3.202 -3.582 89 2HG PRO 969 2HG PRO 969 -5.152 -3.784 -4.841 90 1HD PRO 969 2HD PRO 969 -6.467 -1.106 -4.564 91 2HD PRO 969 1HD PRO 969 -4.802 -1.499 -5.043 92 H VAL 970 H VAL 970 -9.296 -4.376 -6.899 93 HA VAL 970 HA VAL 970 -10.959 -2.609 -8.343 94 HB VAL 970 HB VAL 970 -11.390 -5.016 -8.275 95 1HG1 VAL 970 1HG1 VAL 970 -10.744 -5.491 -5.991 96 2HG1 VAL 970 2HG1 VAL 970 -12.394 -6.044 -6.275 97 3HG1 VAL 970 3HG1 VAL 970 -12.106 -4.550 -5.383 98 1HG2 VAL 970 1HG2 VAL 970 -13.644 -3.381 -7.116 99 2HG2 VAL 970 2HG2 VAL 970 -13.818 -4.935 -7.931 100 3HG2 VAL 970 3HG2 VAL 970 -13.234 -3.531 -8.824 101 H ASN 971 H ASN 971 -12.099 -0.896 -7.713 102 HA ASN 971 HA ASN 971 -12.920 0.768 -6.385 103 1HB ASN 971 1HB ASN 971 -13.782 -1.622 -4.740 104 2HB ASN 971 2HB ASN 971 -14.432 0.007 -4.582 105 1HD2 ASN 971 1HD2 ASN 971 -15.767 -2.494 -5.268 106 2HD2 ASN 971 2HD2 ASN 971 -16.519 -2.227 -6.800 107 H GLY 972 H GLY 972 -10.266 0.585 -5.990 108 1HA GLY 972 1HA GLY 972 -10.017 1.220 -3.143 109 2HA GLY 972 2HA GLY 972 -8.957 -0.020 -3.795 110 H MET 973 H MET 973 -7.935 2.250 -2.611 111 HA MET 973 HA MET 973 -6.285 3.260 -4.714 112 1HB MET 973 1HB MET 973 -6.843 5.616 -4.507 113 2HB MET 973 2HB MET 973 -8.261 4.704 -5.005 114 1HG MET 973 1HG MET 973 -7.709 5.548 -2.172 115 2HG MET 973 2HG MET 973 -8.701 6.462 -3.306 116 1HE MET 973 1HE MET 973 -11.338 4.946 -0.826 117 2HE MET 973 2HE MET 973 -10.700 6.424 -1.547 118 3HE MET 973 3HE MET 973 -9.709 5.491 -0.425 119 H VAL 974 H VAL 974 -4.362 4.021 -3.953 120 HA VAL 974 HA VAL 974 -3.958 3.877 -1.060 121 HB VAL 974 HB VAL 974 -2.431 2.577 -2.472 122 1HG1 VAL 974 1HG1 VAL 974 -1.608 5.253 -3.593 123 2HG1 VAL 974 2HG1 VAL 974 -2.442 3.965 -4.462 124 3HG1 VAL 974 3HG1 VAL 974 -0.788 3.722 -3.899 125 1HG2 VAL 974 1HG2 VAL 974 -1.092 4.895 -1.082 126 2HG2 VAL 974 2HG2 VAL 974 -0.318 3.370 -1.514 127 3HG2 VAL 974 3HG2 VAL 974 -1.625 3.392 -0.329 128 H HIS 975 H HIS 975 -2.926 5.533 0.111 129 HA HIS 975 HA HIS 975 -3.820 8.127 -0.739 130 1HB HIS 975 2HB HIS 975 -2.403 7.220 1.774 131 2HB HIS 975 1HB HIS 975 -3.014 8.850 1.510 132 HD1 HIS 975 1HD HIS 975 -4.076 5.431 2.446 133 HD2 HIS 975 2HD HIS 975 -5.850 9.069 1.514 134 HE1 HIS 975 1HE HIS 975 -6.469 5.219 3.185 135 HE2 HIS 975 2HE HIS 975 -7.545 7.400 2.530 136 H VAL 976 H VAL 976 -0.669 6.664 0.006 137 HA VAL 976 HA VAL 976 1.469 7.363 -0.335 138 HB VAL 976 HB VAL 976 0.136 8.659 -2.707 139 1HG1 VAL 976 1HG2 VAL 976 2.222 9.822 -2.246 140 2HG1 VAL 976 2HG2 VAL 976 2.383 8.826 -3.694 141 3HG1 VAL 976 3HG2 VAL 976 3.081 8.283 -2.168 142 1HG2 VAL 976 1HG1 VAL 976 1.712 6.106 -2.426 143 2HG2 VAL 976 2HG1 VAL 976 1.081 6.758 -3.939 144 3HG2 VAL 976 3HG1 VAL 976 -0.030 6.240 -2.670 145 H ILE 977 H ILE 977 1.956 8.635 1.383 146 HA ILE 977 HA ILE 977 0.832 11.108 1.991 147 HB ILE 977 HB ILE 977 3.580 10.140 2.781 148 1HG1 ILE 977 1HG1 ILE 977 0.986 9.807 4.294 149 2HG1 ILE 977 2HG1 ILE 977 1.656 8.558 3.249 150 1HG2 ILE 977 1HG2 ILE 977 1.733 12.146 4.067 151 2HG2 ILE 977 2HG2 ILE 977 3.244 12.504 3.232 152 3HG2 ILE 977 3HG2 ILE 977 3.265 11.587 4.738 153 1HD1 ILE 977 1HD1 ILE 977 3.642 8.442 4.638 154 2HD1 ILE 977 2HD1 ILE 977 2.183 8.159 5.588 155 3HD1 ILE 977 3HD1 ILE 977 3.002 9.718 5.674 156 H THR 978 H THR 978 4.217 10.645 0.941 157 HA THR 978 HA THR 978 4.038 12.872 -0.892 158 HB THR 978 HB THR 978 5.829 13.099 1.535 159 HG1 THR 978 1HG THR 978 3.725 13.645 2.096 160 1HG2 THR 978 1HG2 THR 978 6.845 14.037 -0.484 161 2HG2 THR 978 2HG2 THR 978 6.383 15.314 0.642 162 3HG2 THR 978 3HG2 THR 978 5.392 14.990 -0.781 163 H ASP 979 H ASP 979 6.610 11.262 0.991 164 HA ASP 979 HA ASP 979 8.089 10.893 -1.512 165 1HB ASP 979 2HB ASP 979 9.034 10.769 1.359 166 2HB ASP 979 1HB ASP 979 10.061 10.554 -0.055 167 H ILE 980 H ILE 980 8.488 8.938 -2.334 168 HA ILE 980 HA ILE 980 7.374 6.609 -1.005 169 HB ILE 980 HB ILE 980 8.788 6.657 -3.668 170 1HG1 ILE 980 1HG1 ILE 980 5.842 7.110 -3.137 171 2HG1 ILE 980 2HG1 ILE 980 6.983 8.364 -3.612 172 1HG2 ILE 980 1HG2 ILE 980 8.404 4.451 -2.721 173 2HG2 ILE 980 2HG2 ILE 980 7.367 4.706 -4.125 174 3HG2 ILE 980 3HG2 ILE 980 6.695 4.826 -2.499 175 1HD1 ILE 980 1HD1 ILE 980 7.369 7.213 -5.725 176 2HD1 ILE 980 2HD1 ILE 980 5.665 7.606 -5.501 177 3HD1 ILE 980 3HD1 ILE 980 6.229 5.955 -5.248 178 H GLN 981 H GLN 981 10.188 8.196 -0.732 179 HA GLN 981 HA GLN 981 12.214 6.301 -1.016 180 1HB GLN 981 1HB GLN 981 13.474 7.669 0.607 181 2HB GLN 981 2HB GLN 981 12.700 8.648 -0.631 182 1HG GLN 981 2HG GLN 981 10.904 9.201 0.934 183 2HG GLN 981 1HG GLN 981 11.694 8.231 2.175 184 1HE2 GLN 981 1HE2 GLN 981 11.807 11.167 0.325 185 2HE2 GLN 981 2HE2 GLN 981 13.001 11.966 1.283 186 H VAL 982 H VAL 982 13.200 4.867 0.419 187 HA VAL 982 HA VAL 982 11.501 3.347 2.036 188 HB VAL 982 HB VAL 982 13.510 2.382 1.081 189 1HG1 VAL 982 1HG2 VAL 982 15.735 2.929 1.941 190 2HG1 VAL 982 2HG2 VAL 982 15.032 4.184 2.962 191 3HG1 VAL 982 3HG2 VAL 982 14.963 4.333 1.205 192 1HG2 VAL 982 1HG1 VAL 982 13.599 2.379 4.096 193 2HG2 VAL 982 2HG1 VAL 982 14.366 1.190 3.044 194 3HG2 VAL 982 3HG1 VAL 982 12.608 1.331 3.081 195 H GLY 983 H GLY 983 11.002 3.356 4.161 196 1HA GLY 983 2HA GLY 983 11.663 3.920 6.463 197 2HA GLY 983 1HA GLY 983 12.275 5.439 5.826 198 H SER 984 H SER 984 9.664 5.154 4.050 199 HA SER 984 HA SER 984 8.052 6.762 5.869 200 1HB SER 984 2HB SER 984 8.424 7.617 3.602 201 2HB SER 984 1HB SER 984 7.693 6.163 2.923 202 HG SER 984 HG SER 984 6.475 8.376 3.644 203 H ARG 985 H ARG 985 5.635 6.417 5.785 204 HA ARG 985 HA ARG 985 4.894 3.598 5.504 205 1HB ARG 985 1HB ARG 985 5.542 3.912 7.853 206 2HB ARG 985 2HB ARG 985 4.401 5.240 7.996 207 1HG ARG 985 2HG ARG 985 2.555 3.684 7.540 208 2HG ARG 985 1HG ARG 985 3.717 2.358 7.459 209 1HD ARG 985 2HD ARG 985 3.208 4.118 9.854 210 2HD ARG 985 1HD ARG 985 2.632 2.464 9.647 211 HE ARG 985 HE ARG 985 5.395 2.421 9.350 212 1HH1 ARG 985 1HH1 ARG 985 3.054 3.140 11.828 213 2HH1 ARG 985 2HH1 ARG 985 4.094 2.666 13.129 214 1HH2 ARG 985 1HH2 ARG 985 6.771 1.794 11.056 215 2HH2 ARG 985 2HH2 ARG 985 6.207 1.901 12.690 216 H ILE 986 H ILE 986 3.632 4.159 3.722 217 HA ILE 986 HA ILE 986 1.577 6.164 3.923 218 HB ILE 986 HB ILE 986 0.854 5.408 1.725 219 1HG1 ILE 986 1HG1 ILE 986 2.927 3.224 2.046 220 2HG1 ILE 986 2HG1 ILE 986 1.182 2.991 2.072 221 1HG2 ILE 986 1HG2 ILE 986 2.724 6.951 1.837 222 2HG2 ILE 986 2HG2 ILE 986 2.926 5.842 0.480 223 3HG2 ILE 986 3HG2 ILE 986 3.855 5.602 1.960 224 1HD1 ILE 986 1HD1 ILE 986 2.120 2.359 -0.070 225 2HD1 ILE 986 2HD1 ILE 986 2.793 3.977 -0.268 226 3HD1 ILE 986 3HD1 ILE 986 1.044 3.746 -0.241 227 H THR 987 H THR 987 -0.731 5.511 3.341 228 HA THR 987 HA THR 987 -1.473 3.125 4.905 229 HB THR 987 HB THR 987 -3.589 4.293 5.464 230 HG1 THR 987 1HG THR 987 -2.315 6.595 4.368 231 1HG2 THR 987 1HG2 THR 987 -1.081 5.782 6.251 232 2HG2 THR 987 2HG2 THR 987 -1.728 4.346 7.044 233 3HG2 THR 987 3HG2 THR 987 -2.629 5.861 7.094 234 H TYR 988 H TYR 988 -3.414 2.022 4.270 235 HA TYR 988 HA TYR 988 -4.061 2.368 1.419 236 1HB TYR 988 1HB TYR 988 -2.443 0.382 2.334 237 2HB TYR 988 2HB TYR 988 -4.017 -0.402 2.439 238 HD1 TYR 988 1HD TYR 988 -5.328 -0.833 0.415 239 HD2 TYR 988 2HD TYR 988 -1.466 0.938 0.212 240 HE1 TYR 988 1HE TYR 988 -5.239 -1.321 -1.994 241 HE2 TYR 988 2HE TYR 988 -1.366 0.457 -2.199 242 HH TYR 988 HH TYR 988 -4.071 -0.477 -4.002 243 H SER 989 H SER 989 -6.167 2.043 0.846 244 HA SER 989 HA SER 989 -8.052 0.790 2.624 245 1HB SER 989 1HB SER 989 -9.438 2.782 2.998 246 2HB SER 989 2HB SER 989 -7.829 3.000 3.687 247 HG SER 989 HG SER 989 -8.803 4.045 1.236 248 H CYS 990 H CYS 990 -10.107 0.479 1.684 249 HA CYS 990 HA CYS 990 -10.147 0.766 -1.224 250 1HB CYS 990 2HB CYS 990 -11.956 -0.775 0.650 251 2HB CYS 990 1HB CYS 990 -12.108 -0.757 -1.105 252 H THR 991 H THR 991 -12.817 0.841 -1.772 253 HA THR 991 HA THR 991 -13.417 3.569 -1.552 254 HB THR 991 HB THR 991 -15.701 2.847 -2.382 255 HG1 THR 991 1HG THR 991 -16.034 0.721 -2.806 256 1HG2 THR 991 1HG2 THR 991 -13.931 3.542 -3.907 257 2HG2 THR 991 2HG2 THR 991 -14.865 2.217 -4.602 258 3HG2 THR 991 3HG2 THR 991 -13.275 1.905 -3.905 259 H THR 992 H THR 992 -15.763 4.203 -0.803 260 HA THR 992 HA THR 992 -15.764 4.093 2.011 261 HB THR 992 HB THR 992 -18.031 4.900 0.178 262 HG1 THR 992 1HG THR 992 -17.134 7.051 0.751 263 1HG2 THR 992 1HG2 THR 992 -17.510 5.555 3.082 264 2HG2 THR 992 2HG2 THR 992 -18.781 4.495 2.469 265 3HG2 THR 992 3HG2 THR 992 -18.813 6.218 2.095 266 H GLY 993 H GLY 993 -16.317 2.439 3.259 267 1HA GLY 993 1HA GLY 993 -17.841 0.896 4.166 268 2HA GLY 993 2HA GLY 993 -18.747 0.937 2.660 269 H HIS 994 H HIS 994 -15.317 0.522 2.528 270 HA HIS 994 HA HIS 994 -15.606 -2.382 2.234 271 1HB HIS 994 1HB HIS 994 -14.215 -0.572 0.245 272 2HB HIS 994 2HB HIS 994 -14.198 -2.332 0.201 273 HD1 HIS 994 1HD HIS 994 -16.729 0.499 0.032 274 HD2 HIS 994 2HD HIS 994 -16.204 -3.414 -1.266 275 HE1 HIS 994 1HE HIS 994 -18.698 0.014 -1.454 276 HE2 HIS 994 2HE HIS 994 -18.408 -2.390 -2.153 277 H ARG 995 H ARG 995 -14.227 -3.315 3.583 278 HA ARG 995 HA ARG 995 -11.703 -1.921 4.197 279 1HB ARG 995 2HB ARG 995 -13.282 -3.867 5.886 280 2HB ARG 995 1HB ARG 995 -11.722 -3.191 6.331 281 1HG ARG 995 2HG ARG 995 -12.714 -0.937 6.279 282 2HG ARG 995 1HG ARG 995 -14.282 -1.662 5.917 283 1HD ARG 995 2HD ARG 995 -14.207 -2.891 8.024 284 2HD ARG 995 1HD ARG 995 -12.629 -2.191 8.383 285 HE ARG 995 HE ARG 995 -14.619 -0.196 7.917 286 1HH1 ARG 995 1HH1 ARG 995 -13.346 -2.396 10.301 287 2HH1 ARG 995 2HH1 ARG 995 -13.880 -1.448 11.648 288 1HH2 ARG 995 1HH2 ARG 995 -15.326 1.058 9.686 289 2HH2 ARG 995 2HH2 ARG 995 -15.005 0.514 11.299 290 H LEU 996 H LEU 996 -9.799 -2.944 3.905 291 HA LEU 996 HA LEU 996 -9.724 -5.261 2.275 292 1HB LEU 996 2HB LEU 996 -7.417 -4.072 3.789 293 2HB LEU 996 1HB LEU 996 -7.363 -4.998 2.312 294 HG LEU 996 HG LEU 996 -8.848 -2.929 1.484 295 1HD1 LEU 996 1HD1 LEU 996 -7.910 -0.860 2.397 296 2HD1 LEU 996 2HD1 LEU 996 -7.021 -1.803 3.593 297 3HD1 LEU 996 3HD1 LEU 996 -8.784 -1.782 3.620 298 1HD2 LEU 996 1HD2 LEU 996 -5.841 -2.983 1.638 299 2HD2 LEU 996 2HD2 LEU 996 -6.799 -2.008 0.523 300 3HD2 LEU 996 3HD2 LEU 996 -6.832 -3.767 0.408 301 H ILE 997 H ILE 997 -8.975 -7.332 2.750 302 HA ILE 997 HA ILE 997 -8.997 -8.084 5.580 303 HB ILE 997 HB ILE 997 -8.802 -9.959 3.226 304 1HG1 ILE 997 2HG1 ILE 997 -10.825 -8.596 2.967 305 2HG1 ILE 997 1HG1 ILE 997 -11.239 -10.251 3.401 306 1HG2 ILE 997 1HG2 ILE 997 -9.706 -10.357 6.076 307 2HG2 ILE 997 2HG2 ILE 997 -8.183 -10.906 5.376 308 3HG2 ILE 997 3HG2 ILE 997 -9.708 -11.592 4.816 309 1HD1 ILE 997 1HD1 ILE 997 -12.628 -8.658 4.587 310 2HD1 ILE 997 2HD1 ILE 997 -11.193 -7.898 5.273 311 3HD1 ILE 997 3HD1 ILE 997 -11.605 -9.556 5.709 312 H GLY 998 H GLY 998 -6.842 -6.660 5.284 313 1HA GLY 998 2HA GLY 998 -4.653 -8.575 5.327 314 2HA GLY 998 1HA GLY 998 -4.567 -7.351 4.070 315 H HIS 999 H HIS 999 -3.374 -5.639 4.573 316 HA HIS 999 HA HIS 999 -2.799 -5.157 7.405 317 1HB HIS 999 1HB HIS 999 -1.220 -4.737 4.880 318 2HB HIS 999 2HB HIS 999 -0.771 -3.960 6.388 319 HD1 HIS 999 1HD HIS 999 0.500 -5.345 8.071 320 HD2 HIS 999 2HD HIS 999 -1.043 -7.609 4.946 321 HE1 HIS 999 1HE HIS 999 1.505 -7.634 8.337 322 HE2 HIS 999 2HE HIS 999 0.489 -9.010 6.488 323 H SER1000 H SER1000 -3.869 -3.652 4.438 324 HA SER1000 HA SER1000 -4.467 -1.527 3.877 325 1HB SER1000 2HB SER1000 -5.994 -0.424 5.424 326 2HB SER1000 1HB SER1000 -6.326 -2.156 5.393 327 HG SER1000 HG SER1000 -5.941 -2.188 7.444 328 H SER1001 H SER1001 -1.778 -1.882 4.924 329 HA SER1001 HA SER1001 -1.065 0.860 5.313 330 1HB SER1001 1HB SER1001 -0.688 -1.060 7.627 331 2HB SER1001 2HB SER1001 0.038 0.545 7.520 332 HG SER1001 HG SER1001 -1.848 1.446 7.923 333 H ALA1002 H ALA1002 0.756 1.086 4.191 334 HA ALA1002 HA ALA1002 2.423 -1.305 3.783 335 1HB ALA1002 1HB ALA1002 1.303 -0.472 1.771 336 2HB ALA1002 2HB ALA1002 3.057 -0.350 1.640 337 3HB ALA1002 3HB ALA1002 2.096 1.089 1.980 338 H GLU1003 H GLU1003 4.663 -1.153 3.827 339 HA GLU1003 HA GLU1003 5.859 1.411 4.563 340 1HB GLU1003 1HB GLU1003 5.408 0.248 6.684 341 2HB GLU1003 2HB GLU1003 6.307 -1.149 6.109 342 1HG GLU1003 2HG GLU1003 8.341 0.198 6.007 343 2HG GLU1003 1HG GLU1003 7.440 1.599 6.586 344 H CYS1004 H CYS1004 7.535 1.788 3.282 345 HA CYS1004 HA CYS1004 8.416 -0.066 1.369 346 1HB CYS1004 1HB CYS1004 8.530 2.411 1.121 347 2HB CYS1004 2HB CYS1004 9.849 2.435 2.286 348 H ILE1005 H ILE1005 9.613 -1.812 1.697 349 HA ILE1005 HA ILE1005 11.861 -1.670 3.581 350 HB ILE1005 HB ILE1005 11.324 -3.935 4.415 351 1HG1 ILE1005 2HG1 ILE1005 8.662 -3.540 3.033 352 2HG1 ILE1005 1HG1 ILE1005 9.935 -4.601 2.440 353 1HG2 ILE1005 1HG2 ILE1005 9.480 -3.259 5.886 354 2HG2 ILE1005 2HG2 ILE1005 9.157 -1.880 4.835 355 3HG2 ILE1005 3HG2 ILE1005 10.684 -1.983 5.711 356 1HD1 ILE1005 1HD1 ILE1005 8.489 -4.875 5.064 357 2HD1 ILE1005 2HD1 ILE1005 9.767 -5.937 4.472 358 3HD1 ILE1005 3HD1 ILE1005 8.227 -5.851 3.619 359 H LEU1006 H LEU1006 13.550 -3.171 3.190 360 HA LEU1006 HA LEU1006 13.652 -4.154 0.437 361 1HB LEU1006 2HB LEU1006 15.750 -3.730 2.554 362 2HB LEU1006 1HB LEU1006 16.086 -4.607 1.073 363 HG LEU1006 HG LEU1006 15.048 -1.778 1.088 364 1HD1 LEU1006 1HD2 LEU1006 17.908 -2.720 0.947 365 2HD1 LEU1006 2HD2 LEU1006 17.171 -1.832 2.281 366 3HD1 LEU1006 3HD2 LEU1006 17.354 -1.064 0.704 367 1HD2 LEU1006 1HD1 LEU1006 16.425 -3.437 -1.018 368 2HD2 LEU1006 2HD1 LEU1006 15.932 -1.753 -1.191 369 3HD2 LEU1006 3HD1 LEU1006 14.714 -3.011 -0.982 370 H SER1007 H SER1007 13.731 -6.269 -0.095 371 HA SER1007 HA SER1007 13.623 -8.210 2.120 372 1HB SER1007 1HB SER1007 12.257 -9.633 0.635 373 2HB SER1007 2HB SER1007 11.497 -8.066 0.910 374 HG SER1007 HG SER1007 11.384 -8.426 -1.257 375 H GLY1008 H GLY1008 14.784 -7.633 -1.172 376 1HA GLY1008 1HA GLY1008 17.028 -9.422 -0.650 377 2HA GLY1008 2HA GLY1008 15.978 -9.858 -1.990 378 H ASN1009 H ASN1009 15.608 -8.066 -3.614 379 HA ASN1009 HA ASN1009 17.921 -6.290 -3.874 380 1HB ASN1009 1HB ASN1009 18.233 -6.964 -6.231 381 2HB ASN1009 2HB ASN1009 18.531 -8.296 -5.119 382 1HD2 ASN1009 1HD2 ASN1009 16.401 -6.995 -7.532 383 2HD2 ASN1009 2HD2 ASN1009 15.495 -8.441 -7.804 384 H THR1010 H THR1010 14.705 -6.561 -3.766 385 HA THR1010 HA THR1010 14.318 -4.105 -5.298 386 HB THR1010 HB THR1010 12.544 -6.527 -5.668 387 HG1 THR1010 1HG THR1010 14.745 -5.590 -7.020 388 1HG2 THR1010 1HG2 THR1010 11.293 -4.427 -5.738 389 2HG2 THR1010 2HG2 THR1010 11.395 -5.150 -7.344 390 3HG2 THR1010 3HG2 THR1010 12.427 -3.782 -6.925 391 H ALA1011 H ALA1011 13.745 -2.809 -3.652 392 HA ALA1011 HA ALA1011 12.362 -3.569 -1.340 393 1HB ALA1011 1HB ALA1011 13.700 -1.522 -1.511 394 2HB ALA1011 2HB ALA1011 12.069 -1.191 -0.927 395 3HB ALA1011 3HB ALA1011 12.497 -0.832 -2.600 396 H HIS1012 H HIS1012 10.248 -3.658 -0.791 397 HA HIS1012 HA HIS1012 8.223 -2.600 -2.598 398 1HB HIS1012 2HB HIS1012 6.977 -4.724 -2.650 399 2HB HIS1012 1HB HIS1012 8.556 -4.882 -3.410 400 HD1 HIS1012 1HD HIS1012 6.474 -6.230 -0.693 401 HD2 HIS1012 2HD HIS1012 10.461 -6.368 -1.854 402 HE1 HIS1012 1HE HIS1012 7.484 -8.135 0.600 403 HE2 HIS1012 2HE HIS1012 9.916 -8.152 -0.062 404 H TRP1013 H TRP1013 5.963 -3.080 -1.588 405 HA TRP1013 HA TRP1013 6.109 -2.102 1.140 406 1HB TRP1013 2HB TRP1013 3.659 -2.580 -0.568 407 2HB TRP1013 1HB TRP1013 3.749 -1.621 0.906 408 HD1 TRP1013 HD TRP1013 4.144 -1.367 -2.801 409 HE1 TRP1013 1HE TRP1013 4.859 1.019 -3.445 410 HE3 TRP1013 3HE TRP1013 5.286 0.422 1.850 411 HZ2 TRP1013 2HZ TRP1013 5.790 3.350 -2.155 412 HZ3 TRP1013 3HZ TRP1013 6.082 2.741 2.058 413 HH2 TRP1013 HH TRP1013 6.328 4.173 0.096 414 H SER1014 H SER1014 5.180 -3.084 2.928 415 HA SER1014 HA SER1014 5.353 -5.902 3.015 416 1HB SER1014 2HB SER1014 4.137 -3.992 5.026 417 2HB SER1014 1HB SER1014 4.562 -5.675 5.338 418 HG SER1014 HG SER1014 6.524 -5.042 5.678 419 H THR1015 H THR1015 2.951 -4.001 1.768 420 HA THR1015 HA THR1015 0.697 -5.579 2.679 421 HB THR1015 HB THR1015 -0.640 -4.132 1.168 422 HG1 THR1015 1HG THR1015 1.821 -3.563 0.187 423 1HG2 THR1015 1HG2 THR1015 1.230 -2.650 3.019 424 2HG2 THR1015 2HG2 THR1015 -0.267 -3.457 3.486 425 3HG2 THR1015 3HG2 THR1015 -0.319 -2.048 2.426 426 H LYS1016 H LYS1016 0.742 -7.616 1.871 427 HA LYS1016 HA LYS1016 1.339 -8.352 -0.780 428 1HB LYS1016 2HB LYS1016 -0.113 -10.371 -0.233 429 2HB LYS1016 1HB LYS1016 1.266 -10.090 0.820 430 1HG LYS1016 2HG LYS1016 -0.453 -10.635 2.281 431 2HG LYS1016 1HG LYS1016 -0.388 -8.873 2.349 432 1HD LYS1016 1HD LYS1016 -2.255 -8.735 0.782 433 2HD LYS1016 2HD LYS1016 -2.313 -10.497 0.688 434 1HE LYS1016 2HE LYS1016 -2.768 -8.844 3.169 435 2HE LYS1016 1HE LYS1016 -4.022 -9.619 2.203 436 1HZ LYS1016 1HZ LYS1016 -3.055 -11.768 2.731 437 2HZ LYS1016 2HZ LYS1016 -3.465 -10.937 4.146 438 3HZ LYS1016 3HZ LYS1016 -1.848 -11.025 3.657 439 HA PRO1017 HA PRO1017 -1.967 -7.165 -3.419 440 1HB PRO1017 2HB PRO1017 -2.997 -9.693 -4.147 441 2HB PRO1017 1HB PRO1017 -1.778 -8.756 -5.015 442 1HG PRO1017 2HG PRO1017 -1.433 -11.010 -3.105 443 2HG PRO1017 1HG PRO1017 -0.453 -10.566 -4.516 444 1HD PRO1017 1HD PRO1017 0.409 -10.096 -2.028 445 2HD PRO1017 2HD PRO1017 0.725 -8.942 -3.342 446 HA PRO1018 HA PRO1018 -5.090 -7.703 -0.189 447 1HB PRO1018 2HB PRO1018 -5.970 -5.186 -0.111 448 2HB PRO1018 1HB PRO1018 -4.376 -5.614 0.524 449 1HG PRO1018 2HG PRO1018 -5.103 -4.336 -2.081 450 2HG PRO1018 1HG PRO1018 -3.756 -3.967 -0.991 451 1HD PRO1018 1HD PRO1018 -3.572 -5.528 -3.274 452 2HD PRO1018 2HD PRO1018 -2.427 -5.569 -1.920 453 H ILE1019 H ILE1019 -7.442 -7.314 -0.030 454 HA ILE1019 HA ILE1019 -8.767 -7.001 -2.642 455 HB ILE1019 HB ILE1019 -9.804 -8.884 -0.537 456 1HG1 ILE1019 2HG1 ILE1019 -8.078 -9.616 -2.915 457 2HG1 ILE1019 1HG1 ILE1019 -7.528 -9.608 -1.242 458 1HG2 ILE1019 1HG2 ILE1019 -10.316 -8.631 -3.498 459 2HG2 ILE1019 2HG2 ILE1019 -11.398 -8.118 -2.203 460 3HG2 ILE1019 3HG2 ILE1019 -11.044 -9.830 -2.429 461 1HD1 ILE1019 1HD1 ILE1019 -9.143 -11.352 -0.701 462 2HD1 ILE1019 2HD1 ILE1019 -8.048 -11.855 -1.988 463 3HD1 ILE1019 3HD1 ILE1019 -9.696 -11.360 -2.376 464 H CYS1020 H CYS1020 -11.093 -6.417 -2.419 465 HA CYS1020 HA CYS1020 -11.500 -4.716 -0.048 466 1HB CYS1020 1HB CYS1020 -12.456 -4.292 -2.885 467 2HB CYS1020 2HB CYS1020 -12.897 -3.275 -1.518 468 H GLN1021 H GLN1021 -13.079 -5.354 1.245 469 HA GLN1021 HA GLN1021 -15.318 -6.879 0.086 470 1HB GLN1021 2HB GLN1021 -13.850 -8.331 1.416 471 2HB GLN1021 1HB GLN1021 -14.034 -7.259 2.798 472 1HG GLN1021 1HG GLN1021 -16.426 -7.759 2.865 473 2HG GLN1021 2HG GLN1021 -16.233 -8.842 1.487 474 1HE2 GLN1021 2HE2 GLN1021 -15.190 -10.811 1.764 475 2HE2 GLN1021 1HE2 GLN1021 -14.924 -11.498 3.327 476 H ARG1022 H ARG1022 -17.060 -5.635 0.108 477 HA ARG1022 HA ARG1022 -17.524 -3.392 1.681 478 1HB ARG1022 2HB ARG1022 -18.796 -3.912 -0.355 479 2HB ARG1022 1HB ARG1022 -19.558 -5.270 0.462 480 1HG ARG1022 1HG ARG1022 -20.632 -3.749 2.027 481 2HG ARG1022 2HG ARG1022 -19.842 -2.376 1.246 482 1HD ARG1022 2HD ARG1022 -21.788 -4.268 -0.068 483 2HD ARG1022 1HD ARG1022 -22.160 -2.639 0.497 484 HE ARG1022 HE ARG1022 -20.000 -2.516 -1.292 485 1HH1 ARG1022 1HH1 ARG1022 -23.422 -3.172 -1.260 486 2HH1 ARG1022 2HH1 ARG1022 -23.672 -2.628 -2.885 487 1HH2 ARG1022 1HH2 ARG1022 -20.319 -1.796 -3.431 488 2HH2 ARG1022 2HH2 ARG1022 -21.909 -1.846 -4.119 489 H ILE1023 H ILE1023 -18.369 -3.038 3.662 490 HA ILE1023 HA ILE1023 -18.409 -5.334 5.431 491 HB ILE1023 HB ILE1023 -18.758 -2.448 6.223 492 1HG1 ILE1023 1HG1 ILE1023 -16.702 -2.630 4.920 493 2HG1 ILE1023 2HG1 ILE1023 -16.318 -2.415 6.625 494 1HG2 ILE1023 1HG2 ILE1023 -17.867 -3.221 8.368 495 2HG2 ILE1023 2HG2 ILE1023 -17.770 -4.863 7.733 496 3HG2 ILE1023 3HG2 ILE1023 -19.341 -4.083 7.927 497 1HD1 ILE1023 1HD1 ILE1023 -14.864 -4.055 5.575 498 2HD1 ILE1023 2HD1 ILE1023 -16.268 -5.027 5.133 499 3HD1 ILE1023 3HD1 ILE1023 -15.856 -4.793 6.831 500 HA PRO1024 HA PRO1024 -22.823 -3.553 6.318 501 1HB PRO1024 2HB PRO1024 -23.896 -1.882 4.468 502 2HB PRO1024 1HB PRO1024 -22.960 -1.307 5.853 503 1HG PRO1024 1HG PRO1024 -22.092 -1.717 3.016 504 2HG PRO1024 2HG PRO1024 -21.741 -0.364 4.107 505 1HD PRO1024 1HD PRO1024 -19.965 -2.349 3.638 506 2HD PRO1024 2HD PRO1024 -20.070 -1.515 5.202 Start of MODEL 19 1 1H GLU 957 1HT GLU 957 26.120 5.458 -5.039 2 2H GLU 957 2HT GLU 957 26.430 4.893 -3.475 3 3H GLU 957 3HT GLU 957 26.450 6.555 -3.793 4 HA GLU 957 HA GLU 957 24.430 5.920 -2.651 5 1HB GLU 957 1HB GLU 957 24.394 7.802 -4.233 6 2HB GLU 957 2HB GLU 957 24.003 6.696 -5.545 7 1HG GLU 957 2HG GLU 957 21.889 6.148 -4.460 8 2HG GLU 957 1HG GLU 957 22.281 7.246 -3.137 9 H ALA 958 H ALA 958 23.051 4.332 -2.208 10 HA ALA 958 HA ALA 958 23.015 1.965 -3.848 11 1HB ALA 958 1HB ALA 958 21.635 1.008 -2.086 12 2HB ALA 958 2HB ALA 958 21.469 2.594 -1.334 13 3HB ALA 958 3HB ALA 958 23.049 1.811 -1.403 14 H GLU 959 H GLU 959 21.399 1.216 -5.126 15 HA GLU 959 HA GLU 959 19.316 3.113 -5.843 16 1HB GLU 959 1HB GLU 959 20.636 2.030 -7.617 17 2HB GLU 959 2HB GLU 959 20.060 0.456 -7.083 18 1HG GLU 959 1HG GLU 959 17.772 1.101 -7.647 19 2HG GLU 959 2HG GLU 959 18.352 2.677 -8.186 20 H ALA 960 H ALA 960 17.885 2.992 -4.114 21 HA ALA 960 HA ALA 960 16.061 0.749 -4.218 22 1HB ALA 960 1HB ALA 960 16.152 0.262 -1.832 23 2HB ALA 960 2HB ALA 960 17.456 1.432 -1.632 24 3HB ALA 960 3HB ALA 960 17.718 -0.024 -2.591 25 H LYS 961 H LYS 961 16.650 3.955 -4.013 26 HA LYS 961 HA LYS 961 14.579 4.798 -2.233 27 1HB LYS 961 2HB LYS 961 16.565 6.186 -2.824 28 2HB LYS 961 1HB LYS 961 15.917 6.361 -4.449 29 1HG LYS 961 1HG LYS 961 13.963 7.509 -3.564 30 2HG LYS 961 2HG LYS 961 14.579 7.305 -1.922 31 1HD LYS 961 1HD LYS 961 16.548 8.644 -2.497 32 2HD LYS 961 2HD LYS 961 15.924 8.853 -4.135 33 1HE LYS 961 2HE LYS 961 13.961 10.003 -3.241 34 2HE LYS 961 1HE LYS 961 14.577 9.787 -1.603 35 1HZ LYS 961 1HZ LYS 961 16.491 11.142 -2.181 36 2HZ LYS 961 2HZ LYS 961 15.056 11.997 -2.448 37 3HZ LYS 961 3HZ LYS 961 15.906 11.343 -3.756 38 H SER 962 H SER 962 12.690 6.071 -2.934 39 HA SER 962 HA SER 962 10.710 6.264 -4.029 40 1HB SER 962 2HB SER 962 12.074 7.196 -5.843 41 2HB SER 962 1HB SER 962 12.371 5.572 -6.466 42 HG SER 962 HG SER 962 10.652 6.687 -7.548 43 H CYS 963 H CYS 963 9.504 4.646 -3.191 44 HA CYS 963 HA CYS 963 9.865 1.912 -4.094 45 1HB CYS 963 2HB CYS 963 7.804 3.003 -2.169 46 2HB CYS 963 1HB CYS 963 8.272 1.318 -2.376 47 H LYS 964 H LYS 964 8.111 0.626 -4.926 48 HA LYS 964 HA LYS 964 5.715 1.828 -5.902 49 1HB LYS 964 1HB LYS 964 7.303 2.768 -7.527 50 2HB LYS 964 2HB LYS 964 7.858 1.148 -7.926 51 1HG LYS 964 2HG LYS 964 6.355 1.900 -9.630 52 2HG LYS 964 1HG LYS 964 5.576 0.606 -8.716 53 1HD LYS 964 2HD LYS 964 3.973 2.357 -9.107 54 2HD LYS 964 1HD LYS 964 4.380 2.328 -7.390 55 1HE LYS 964 1HE LYS 964 5.928 4.192 -7.723 56 2HE LYS 964 2HE LYS 964 5.526 4.221 -9.440 57 1HZ LYS 964 1HZ LYS 964 4.301 5.906 -8.237 58 2HZ LYS 964 2HZ LYS 964 3.639 4.740 -7.207 59 3HZ LYS 964 3HZ LYS 964 3.235 4.743 -8.849 60 H THR 965 H THR 965 4.353 0.201 -5.516 61 HA THR 965 HA THR 965 4.795 -2.425 -6.590 62 HB THR 965 HB THR 965 4.886 -2.057 -3.594 63 HG1 THR 965 1HG THR 965 6.975 -2.834 -3.798 64 1HG2 THR 965 1HG2 THR 965 5.101 -4.499 -3.491 65 2HG2 THR 965 2HG2 THR 965 4.874 -4.593 -5.238 66 3HG2 THR 965 3HG2 THR 965 3.561 -4.022 -4.208 67 HA PRO 966 HA PRO 966 0.755 -2.519 -3.912 68 1HB PRO 966 1HB PRO 966 0.254 0.363 -3.435 69 2HB PRO 966 2HB PRO 966 0.091 -1.006 -2.331 70 1HG PRO 966 2HG PRO 966 2.112 0.719 -2.087 71 2HG PRO 966 1HG PRO 966 2.349 -1.016 -1.801 72 1HD PRO 966 1HD PRO 966 3.079 0.630 -4.194 73 2HD PRO 966 2HD PRO 966 3.990 -0.676 -3.407 74 HA PRO 967 HA PRO 967 -1.432 -1.576 -7.773 75 1HB PRO 967 1HB PRO 967 -3.469 -3.271 -6.459 76 2HB PRO 967 2HB PRO 967 -2.724 -3.440 -8.051 77 1HG PRO 967 1HG PRO 967 -2.098 -5.095 -6.047 78 2HG PRO 967 2HG PRO 967 -0.875 -4.554 -7.211 79 1HD PRO 967 1HD PRO 967 -1.381 -3.608 -4.414 80 2HD PRO 967 2HD PRO 967 0.164 -3.907 -5.241 81 H ASP 968 H ASP 968 -3.827 -0.944 -8.132 82 HA ASP 968 HA ASP 968 -4.543 0.973 -6.022 83 1HB ASP 968 1HB ASP 968 -5.763 2.183 -7.845 84 2HB ASP 968 2HB ASP 968 -4.022 2.085 -8.086 85 HA PRO 969 HA PRO 969 -7.945 -1.990 -5.290 86 1HB PRO 969 2HB PRO 969 -8.496 0.216 -3.358 87 2HB PRO 969 1HB PRO 969 -8.517 -1.533 -3.105 88 1HG PRO 969 2HG PRO 969 -6.488 -0.060 -2.215 89 2HG PRO 969 1HG PRO 969 -6.207 -1.664 -2.918 90 1HD PRO 969 1HD PRO 969 -5.733 1.036 -4.097 91 2HD PRO 969 2HD PRO 969 -4.805 -0.465 -4.299 92 H VAL 970 H VAL 970 -10.069 -1.937 -5.904 93 HA VAL 970 HA VAL 970 -10.855 0.108 -7.703 94 HB VAL 970 HB VAL 970 -11.582 -2.203 -8.008 95 1HG1 VAL 970 1HG1 VAL 970 -13.320 -3.175 -6.575 96 2HG1 VAL 970 2HG1 VAL 970 -13.225 -1.768 -5.516 97 3HG1 VAL 970 3HG1 VAL 970 -11.838 -2.846 -5.677 98 1HG2 VAL 970 1HG2 VAL 970 -13.942 -1.782 -8.511 99 2HG2 VAL 970 2HG2 VAL 970 -12.918 -0.434 -9.008 100 3HG2 VAL 970 3HG2 VAL 970 -13.884 -0.313 -7.536 101 H ASN 971 H ASN 971 -12.322 1.744 -7.513 102 HA ASN 971 HA ASN 971 -13.533 3.392 -6.526 103 1HB ASN 971 1HB ASN 971 -14.442 1.068 -4.817 104 2HB ASN 971 2HB ASN 971 -15.197 2.659 -4.809 105 1HD2 ASN 971 1HD2 ASN 971 -16.314 0.066 -5.517 106 2HD2 ASN 971 2HD2 ASN 971 -16.895 0.221 -7.137 107 H GLY 972 H GLY 972 -11.074 3.756 -5.796 108 1HA GLY 972 2HA GLY 972 -11.128 5.261 -3.523 109 2HA GLY 972 1HA GLY 972 -10.669 3.665 -2.950 110 H MET 973 H MET 973 -9.124 6.114 -2.875 111 HA MET 973 HA MET 973 -7.004 5.763 -4.813 112 1HB MET 973 1HB MET 973 -5.909 7.616 -3.608 113 2HB MET 973 2HB MET 973 -7.553 8.017 -4.086 114 1HG MET 973 2HG MET 973 -8.327 7.559 -1.817 115 2HG MET 973 1HG MET 973 -6.678 7.157 -1.337 116 1HE MET 973 1HE MET 973 -7.847 10.030 -3.775 117 2HE MET 973 2HE MET 973 -8.026 11.373 -2.646 118 3HE MET 973 3HE MET 973 -9.108 9.984 -2.543 119 H VAL 974 H VAL 974 -4.755 5.429 -4.143 120 HA VAL 974 HA VAL 974 -4.458 3.872 -1.679 121 HB VAL 974 HB VAL 974 -4.918 2.221 -3.394 122 1HG1 VAL 974 1HG1 VAL 974 -2.592 3.439 -4.878 123 2HG1 VAL 974 2HG1 VAL 974 -4.288 3.496 -5.359 124 3HG1 VAL 974 3HG1 VAL 974 -3.430 1.955 -5.333 125 1HG2 VAL 974 1HG2 VAL 974 -3.306 1.634 -1.665 126 2HG2 VAL 974 2HG2 VAL 974 -1.994 2.275 -2.654 127 3HG2 VAL 974 3HG2 VAL 974 -2.895 0.857 -3.194 128 H HIS 975 H HIS 975 -2.415 3.833 -0.809 129 HA HIS 975 HA HIS 975 -0.462 4.836 -0.190 130 1HB HIS 975 1HB HIS 975 1.376 4.384 -1.766 131 2HB HIS 975 2HB HIS 975 0.308 3.001 -1.569 132 HD1 HIS 975 1HD HIS 975 -0.293 1.887 -3.680 133 HD2 HIS 975 2HD HIS 975 0.620 5.895 -4.262 134 HE1 HIS 975 1HE HIS 975 -0.414 2.249 -6.165 135 HE2 HIS 975 2HE HIS 975 0.057 4.703 -6.485 136 H VAL 976 H VAL 976 1.515 6.118 -1.778 137 HA VAL 976 HA VAL 976 2.181 8.297 -1.779 138 HB VAL 976 HB VAL 976 -0.148 8.396 -3.691 139 1HG1 VAL 976 1HG2 VAL 976 0.839 10.463 -4.574 140 2HG1 VAL 976 2HG2 VAL 976 2.031 10.442 -3.274 141 3HG1 VAL 976 3HG2 VAL 976 0.321 10.653 -2.899 142 1HG2 VAL 976 1HG1 VAL 976 1.681 6.872 -4.290 143 2HG2 VAL 976 2HG1 VAL 976 2.821 8.211 -4.177 144 3HG2 VAL 976 3HG1 VAL 976 1.560 8.229 -5.409 145 H ILE 977 H ILE 977 1.670 8.684 0.437 146 HA ILE 977 HA ILE 977 -0.703 10.331 0.913 147 HB ILE 977 HB ILE 977 1.431 9.488 2.878 148 1HG1 ILE 977 1HG1 ILE 977 0.267 7.526 2.026 149 2HG1 ILE 977 2HG1 ILE 977 -0.242 7.848 3.679 150 1HG2 ILE 977 1HG2 ILE 977 0.249 11.497 3.556 151 2HG2 ILE 977 2HG2 ILE 977 -0.216 10.136 4.577 152 3HG2 ILE 977 3HG2 ILE 977 -1.300 10.692 3.302 153 1HD1 ILE 977 1HD1 ILE 977 -1.781 8.544 1.191 154 2HD1 ILE 977 2HD1 ILE 977 -2.292 8.876 2.846 155 3HD1 ILE 977 3HD1 ILE 977 -2.122 7.210 2.292 156 H THR 978 H THR 978 2.830 10.492 1.017 157 HA THR 978 HA THR 978 2.732 13.271 0.243 158 HB THR 978 HB THR 978 4.139 12.518 2.814 159 HG1 THR 978 1HG THR 978 1.955 14.311 2.529 160 1HG2 THR 978 1HG2 THR 978 3.804 15.198 1.459 161 2HG2 THR 978 2HG2 THR 978 5.294 14.258 1.518 162 3HG2 THR 978 3HG2 THR 978 4.603 14.909 3.004 163 H ASP 979 H ASP 979 4.756 10.577 1.338 164 HA ASP 979 HA ASP 979 6.346 10.784 -1.064 165 1HB ASP 979 2HB ASP 979 7.580 11.116 1.679 166 2HB ASP 979 1HB ASP 979 8.500 10.744 0.224 167 H ILE 980 H ILE 980 6.655 8.790 -1.793 168 HA ILE 980 HA ILE 980 6.189 6.572 0.077 169 HB ILE 980 HB ILE 980 5.767 5.245 -2.046 170 1HG1 ILE 980 2HG1 ILE 980 5.563 8.013 -3.251 171 2HG1 ILE 980 1HG1 ILE 980 6.890 6.893 -3.553 172 1HG2 ILE 980 1HG2 ILE 980 3.970 5.983 -0.595 173 2HG2 ILE 980 2HG2 ILE 980 3.480 6.111 -2.284 174 3HG2 ILE 980 3HG2 ILE 980 3.946 7.557 -1.389 175 1HD1 ILE 980 1HD1 ILE 980 5.297 5.297 -4.520 176 2HD1 ILE 980 2HD1 ILE 980 5.315 6.839 -5.376 177 3HD1 ILE 980 3HD1 ILE 980 3.999 6.464 -4.265 178 H GLN 981 H GLN 981 8.745 7.738 0.009 179 HA GLN 981 HA GLN 981 10.416 5.847 -1.449 180 1HB GLN 981 2HB GLN 981 11.041 8.217 0.306 181 2HB GLN 981 1HB GLN 981 12.289 7.127 -0.283 182 1HG GLN 981 2HG GLN 981 12.204 9.038 -1.709 183 2HG GLN 981 1HG GLN 981 11.590 7.645 -2.598 184 1HE2 GLN 981 1HE2 GLN 981 10.452 8.912 -4.044 185 2HE2 GLN 981 2HE2 GLN 981 9.012 9.758 -3.604 186 H VAL 982 H VAL 982 12.466 5.276 0.155 187 HA VAL 982 HA VAL 982 11.481 3.186 1.757 188 HB VAL 982 HB VAL 982 13.700 3.073 0.777 189 1HG1 VAL 982 1HG2 VAL 982 14.411 5.315 2.664 190 2HG1 VAL 982 2HG2 VAL 982 14.312 5.419 0.906 191 3HG1 VAL 982 3HG2 VAL 982 15.552 4.419 1.662 192 1HG2 VAL 982 1HG1 VAL 982 13.795 3.072 3.792 193 2HG2 VAL 982 2HG1 VAL 982 14.959 2.283 2.728 194 3HG2 VAL 982 3HG1 VAL 982 13.283 1.735 2.761 195 H GLY 983 H GLY 983 11.151 2.967 3.926 196 1HA GLY 983 2HA GLY 983 11.199 3.542 6.186 197 2HA GLY 983 1HA GLY 983 11.967 5.063 5.760 198 H SER 984 H SER 984 9.326 4.609 3.789 199 HA SER 984 HA SER 984 7.770 6.521 5.349 200 1HB SER 984 2HB SER 984 7.386 5.518 2.517 201 2HB SER 984 1HB SER 984 6.439 6.791 3.286 202 HG SER 984 HG SER 984 8.277 7.463 1.928 203 H ARG 985 H ARG 985 5.315 6.227 5.199 204 HA ARG 985 HA ARG 985 4.466 3.443 5.301 205 1HB ARG 985 2HB ARG 985 5.213 3.940 7.590 206 2HB ARG 985 1HB ARG 985 4.134 5.326 7.644 207 1HG ARG 985 1HG ARG 985 2.210 3.820 7.394 208 2HG ARG 985 2HG ARG 985 3.310 2.440 7.397 209 1HD ARG 985 2HD ARG 985 4.072 3.061 9.642 210 2HD ARG 985 1HD ARG 985 2.961 4.430 9.637 211 HE ARG 985 HE ARG 985 1.587 1.994 9.148 212 1HH1 ARG 985 1HH1 ARG 985 3.061 3.879 11.682 213 2HH1 ARG 985 2HH1 ARG 985 2.056 3.222 12.930 214 1HH2 ARG 985 1HH2 ARG 985 0.259 1.126 10.785 215 2HH2 ARG 985 2HH2 ARG 985 0.465 1.658 12.421 216 H ILE 986 H ILE 986 3.060 3.748 3.619 217 HA ILE 986 HA ILE 986 1.105 5.902 3.750 218 HB ILE 986 HB ILE 986 0.328 5.077 1.568 219 1HG1 ILE 986 1HG1 ILE 986 2.145 3.357 0.579 220 2HG1 ILE 986 2HG1 ILE 986 2.143 2.835 2.259 221 1HG2 ILE 986 1HG2 ILE 986 2.105 6.733 1.664 222 2HG2 ILE 986 2HG2 ILE 986 2.337 5.650 0.291 223 3HG2 ILE 986 3HG2 ILE 986 3.315 5.451 1.745 224 1HD1 ILE 986 1HD1 ILE 986 -0.258 2.461 2.147 225 2HD1 ILE 986 2HD1 ILE 986 0.600 1.525 0.924 226 3HD1 ILE 986 3HD1 ILE 986 -0.264 2.994 0.467 227 H THR 987 H THR 987 -1.082 4.710 2.576 228 HA THR 987 HA THR 987 -1.989 2.619 4.382 229 HB THR 987 HB THR 987 -3.953 4.008 5.125 230 HG1 THR 987 1HG THR 987 -2.513 6.346 4.718 231 1HG2 THR 987 1HG2 THR 987 -2.083 3.551 6.633 232 2HG2 THR 987 2HG2 THR 987 -2.727 5.170 6.903 233 3HG2 THR 987 3HG2 THR 987 -1.224 4.958 6.005 234 H TYR 988 H TYR 988 -3.962 1.666 3.766 235 HA TYR 988 HA TYR 988 -4.826 2.317 1.037 236 1HB TYR 988 2HB TYR 988 -5.363 -0.163 2.687 237 2HB TYR 988 1HB TYR 988 -5.838 0.081 1.008 238 HD1 TYR 988 1HD TYR 988 -4.245 -0.131 -0.779 239 HD2 TYR 988 2HD TYR 988 -2.999 -0.502 3.272 240 HE1 TYR 988 1HE TYR 988 -2.094 -1.059 -1.531 241 HE2 TYR 988 2HE TYR 988 -0.845 -1.430 2.532 242 HH TYR 988 HH TYR 988 0.199 -1.299 -0.697 243 H SER 989 H SER 989 -6.603 3.493 0.822 244 HA SER 989 HA SER 989 -8.333 3.876 3.127 245 1HB SER 989 1HB SER 989 -8.261 5.289 0.450 246 2HB SER 989 2HB SER 989 -9.285 5.744 1.812 247 HG SER 989 HG SER 989 -6.454 5.785 1.683 248 H CYS 990 H CYS 990 -9.025 3.569 -0.359 249 HA CYS 990 HA CYS 990 -10.753 2.624 -1.491 250 1HB CYS 990 2HB CYS 990 -9.904 0.560 -0.306 251 2HB CYS 990 1HB CYS 990 -11.142 0.838 0.915 252 H THR 991 H THR 991 -13.096 2.505 -1.579 253 HA THR 991 HA THR 991 -14.285 4.718 -0.319 254 HB THR 991 HB THR 991 -15.162 4.078 -2.426 255 HG1 THR 991 1HG THR 991 -17.441 3.337 -1.585 256 1HG2 THR 991 1HG2 THR 991 -16.273 1.900 -2.802 257 2HG2 THR 991 2HG2 THR 991 -15.761 1.386 -1.195 258 3HG2 THR 991 3HG2 THR 991 -14.556 1.732 -2.435 259 H THR 992 H THR 992 -15.741 4.914 1.341 260 HA THR 992 HA THR 992 -15.378 3.302 3.568 261 HB THR 992 HB THR 992 -17.764 5.075 3.007 262 HG1 THR 992 1HG THR 992 -15.248 5.645 4.225 263 1HG2 THR 992 1HG2 THR 992 -16.583 4.121 5.620 264 2HG2 THR 992 2HG2 THR 992 -18.104 3.572 4.915 265 3HG2 THR 992 3HG2 THR 992 -17.931 5.245 5.444 266 H GLY 993 H GLY 993 -16.263 1.473 4.305 267 1HA GLY 993 2HA GLY 993 -18.249 0.063 4.566 268 2HA GLY 993 1HA GLY 993 -18.631 0.421 2.889 269 H HIS 994 H HIS 994 -15.984 0.101 1.866 270 HA HIS 994 HA HIS 994 -15.958 -2.758 1.587 271 1HB HIS 994 1HB HIS 994 -14.104 -0.632 0.490 272 2HB HIS 994 2HB HIS 994 -14.055 -2.335 0.043 273 HD1 HIS 994 1HD HIS 994 -17.319 -0.530 0.433 274 HD2 HIS 994 2HD HIS 994 -14.798 -1.845 -2.597 275 HE1 HIS 994 1HE HIS 994 -18.643 -0.298 -1.692 276 HE2 HIS 994 2HE HIS 994 -17.122 -1.166 -3.504 277 H ARG 995 H ARG 995 -15.216 -3.899 3.275 278 HA ARG 995 HA ARG 995 -13.121 -2.948 4.984 279 1HB ARG 995 2HB ARG 995 -14.956 -4.355 5.831 280 2HB ARG 995 1HB ARG 995 -14.403 -5.682 4.819 281 1HG ARG 995 1HG ARG 995 -12.314 -5.783 6.058 282 2HG ARG 995 2HG ARG 995 -12.828 -4.419 7.054 283 1HD ARG 995 2HD ARG 995 -14.204 -7.096 6.880 284 2HD ARG 995 1HD ARG 995 -13.167 -6.555 8.200 285 HE ARG 995 HE ARG 995 -15.187 -4.668 7.910 286 1HH1 ARG 995 1HH1 ARG 995 -14.876 -8.033 8.760 287 2HH1 ARG 995 2HH1 ARG 995 -16.268 -8.034 9.790 288 1HH2 ARG 995 1HH2 ARG 995 -17.020 -4.661 9.267 289 2HH2 ARG 995 2HH2 ARG 995 -17.486 -6.118 10.078 290 H LEU 996 H LEU 996 -11.001 -3.200 4.742 291 HA LEU 996 HA LEU 996 -9.922 -4.522 2.467 292 1HB LEU 996 2HB LEU 996 -8.701 -3.191 4.872 293 2HB LEU 996 1HB LEU 996 -7.731 -3.945 3.629 294 HG LEU 996 HG LEU 996 -9.692 -1.726 3.074 295 1HD1 LEU 996 1HD2 LEU 996 -7.969 -0.925 4.594 296 2HD1 LEU 996 2HD2 LEU 996 -7.752 -0.241 2.983 297 3HD1 LEU 996 3HD2 LEU 996 -6.717 -1.560 3.528 298 1HD2 LEU 996 1HD1 LEU 996 -8.462 -1.518 0.981 299 2HD2 LEU 996 2HD1 LEU 996 -9.133 -3.140 1.159 300 3HD2 LEU 996 3HD1 LEU 996 -7.416 -2.858 1.452 301 H ILE 997 H ILE 997 -9.091 -6.522 2.272 302 HA ILE 997 HA ILE 997 -8.872 -8.183 4.679 303 HB ILE 997 HB ILE 997 -8.656 -9.045 1.790 304 1HG1 ILE 997 1HG1 ILE 997 -10.953 -10.109 2.425 305 2HG1 ILE 997 2HG1 ILE 997 -10.984 -8.874 3.680 306 1HG2 ILE 997 1HG2 ILE 997 -8.960 -11.303 2.692 307 2HG2 ILE 997 2HG2 ILE 997 -8.964 -10.645 4.328 308 3HG2 ILE 997 3HG2 ILE 997 -7.510 -10.534 3.336 309 1HD1 ILE 997 1HD1 ILE 997 -12.210 -8.170 1.709 310 2HD1 ILE 997 2HD1 ILE 997 -10.761 -8.370 0.724 311 3HD1 ILE 997 3HD1 ILE 997 -10.807 -7.138 1.985 312 H GLY 998 H GLY 998 -6.961 -6.835 5.260 313 1HA GLY 998 2HA GLY 998 -4.540 -8.179 4.573 314 2HA GLY 998 1HA GLY 998 -4.632 -6.604 3.803 315 H HIS 999 H HIS 999 -3.979 -4.884 4.923 316 HA HIS 999 HA HIS 999 -3.859 -5.022 7.842 317 1HB HIS 999 2HB HIS 999 -1.674 -5.813 7.006 318 2HB HIS 999 1HB HIS 999 -1.488 -4.316 6.098 319 HD1 HIS 999 1HD HIS 999 -1.353 -5.690 9.576 320 HD2 HIS 999 2HD HIS 999 -0.720 -2.094 7.594 321 HE1 HIS 999 1HE HIS 999 -0.214 -4.195 11.247 322 HE2 HIS 999 2HE HIS 999 0.238 -2.054 9.997 323 H SER1000 H SER1000 -4.383 -3.314 4.980 324 HA SER1000 HA SER1000 -5.077 -1.201 4.518 325 1HB SER1000 1HB SER1000 -6.643 -1.573 6.381 326 2HB SER1000 2HB SER1000 -5.426 -0.996 7.520 327 HG SER1000 HG SER1000 -7.189 0.472 6.421 328 H SER1001 H SER1001 -2.236 -1.868 5.392 329 HA SER1001 HA SER1001 -1.145 0.712 5.013 330 1HB SER1001 2HB SER1001 -1.779 1.030 7.362 331 2HB SER1001 1HB SER1001 -0.884 -0.422 7.810 332 HG SER1001 HG SER1001 0.036 2.113 7.186 333 H ALA1002 H ALA1002 1.275 0.682 5.184 334 HA ALA1002 HA ALA1002 2.562 -1.892 5.290 335 1HB ALA1002 1HB ALA1002 2.413 -0.455 2.642 336 2HB ALA1002 2HB ALA1002 1.581 -1.957 3.047 337 3HB ALA1002 3HB ALA1002 3.343 -1.915 2.985 338 H GLU1003 H GLU1003 4.906 -1.734 4.892 339 HA GLU1003 HA GLU1003 5.975 0.992 5.095 340 1HB GLU1003 2HB GLU1003 5.864 0.069 7.370 341 2HB GLU1003 1HB GLU1003 6.794 -1.330 6.852 342 1HG GLU1003 2HG GLU1003 8.696 0.117 6.352 343 2HG GLU1003 1HG GLU1003 7.763 1.520 6.871 344 H CYS1004 H CYS1004 7.439 1.315 3.558 345 HA CYS1004 HA CYS1004 8.271 -0.849 1.894 346 1HB CYS1004 1HB CYS1004 7.771 1.418 1.020 347 2HB CYS1004 2HB CYS1004 9.189 2.034 1.860 348 H ILE1005 H ILE1005 9.670 -2.250 2.800 349 HA ILE1005 HA ILE1005 12.184 -1.148 3.876 350 HB ILE1005 HB ILE1005 12.433 -3.234 5.157 351 1HG1 ILE1005 2HG1 ILE1005 9.608 -3.844 4.257 352 2HG1 ILE1005 1HG1 ILE1005 11.045 -4.644 3.629 353 1HG2 ILE1005 1HG2 ILE1005 11.439 -1.291 6.222 354 2HG2 ILE1005 2HG2 ILE1005 10.697 -2.771 6.830 355 3HG2 ILE1005 3HG2 ILE1005 9.842 -1.774 5.653 356 1HD1 ILE1005 1HD1 ILE1005 11.537 -5.512 5.853 357 2HD1 ILE1005 2HD1 ILE1005 9.938 -6.007 5.299 358 3HD1 ILE1005 3HD1 ILE1005 10.099 -4.710 6.483 359 H LEU1006 H LEU1006 14.132 -2.130 3.288 360 HA LEU1006 HA LEU1006 14.209 -3.167 0.639 361 1HB LEU1006 2HB LEU1006 16.375 -2.961 2.732 362 2HB LEU1006 1HB LEU1006 16.648 -3.399 1.058 363 HG LEU1006 HG LEU1006 15.599 -1.124 0.482 364 1HD1 LEU1006 1HD1 LEU1006 14.641 -0.663 2.676 365 2HD1 LEU1006 2HD1 LEU1006 15.796 0.585 2.210 366 3HD1 LEU1006 3HD1 LEU1006 16.256 -0.649 3.385 367 1HD2 LEU1006 1HD2 LEU1006 17.738 0.021 0.799 368 2HD2 LEU1006 2HD2 LEU1006 17.963 -1.625 0.205 369 3HD2 LEU1006 3HD2 LEU1006 18.253 -1.252 1.904 370 H SER1007 H SER1007 13.296 -5.136 0.373 371 HA SER1007 HA SER1007 13.624 -7.282 2.230 372 1HB SER1007 2HB SER1007 12.480 -8.643 0.511 373 2HB SER1007 1HB SER1007 11.625 -7.133 0.829 374 HG SER1007 HG SER1007 12.413 -6.299 -1.071 375 H GLY1008 H GLY1008 15.473 -6.061 -0.384 376 1HA GLY1008 1HA GLY1008 17.669 -7.726 0.111 377 2HA GLY1008 2HA GLY1008 16.778 -8.406 -1.242 378 H ASN1009 H ASN1009 16.910 -7.459 -3.230 379 HA ASN1009 HA ASN1009 18.876 -5.296 -3.477 380 1HB ASN1009 1HB ASN1009 17.815 -7.216 -5.563 381 2HB ASN1009 2HB ASN1009 19.051 -5.992 -5.840 382 1HD2 ASN1009 2HD2 ASN1009 20.279 -6.398 -3.228 383 2HD2 ASN1009 1HD2 ASN1009 21.147 -7.887 -3.334 384 H THR1010 H THR1010 15.719 -5.431 -3.086 385 HA THR1010 HA THR1010 15.240 -3.007 -4.606 386 HB THR1010 HB THR1010 13.450 -5.414 -5.007 387 HG1 THR1010 1HG THR1010 14.568 -5.791 -6.775 388 1HG2 THR1010 1HG2 THR1010 12.250 -3.280 -5.062 389 2HG2 THR1010 2HG2 THR1010 12.326 -4.005 -6.668 390 3HG2 THR1010 3HG2 THR1010 13.393 -2.662 -6.255 391 H ALA1011 H ALA1011 13.593 -1.743 -3.761 392 HA ALA1011 HA ALA1011 12.913 -2.306 -1.025 393 1HB ALA1011 1HB ALA1011 12.097 0.006 -2.782 394 2HB ALA1011 2HB ALA1011 13.518 -0.046 -1.741 395 3HB ALA1011 3HB ALA1011 11.905 -0.087 -1.032 396 H HIS1012 H HIS1012 11.279 -3.587 -0.497 397 HA HIS1012 HA HIS1012 8.757 -3.333 -1.993 398 1HB HIS1012 1HB HIS1012 10.016 -5.883 -0.964 399 2HB HIS1012 2HB HIS1012 8.375 -5.768 -1.592 400 HD1 HIS1012 1HD HIS1012 8.086 -5.614 -4.130 401 HD2 HIS1012 2HD HIS1012 12.055 -5.716 -2.908 402 HE1 HIS1012 1HE HIS1012 9.423 -6.003 -6.224 403 HE2 HIS1012 2HE HIS1012 11.827 -5.961 -5.472 404 H TRP1013 H TRP1013 6.887 -3.361 -0.800 405 HA TRP1013 HA TRP1013 7.095 -2.474 1.876 406 1HB TRP1013 2HB TRP1013 4.632 -3.431 0.403 407 2HB TRP1013 1HB TRP1013 4.655 -2.446 1.861 408 HD1 TRP1013 HD TRP1013 5.298 -2.228 -1.907 409 HE1 TRP1013 1HE TRP1013 5.314 0.253 -2.593 410 HE3 TRP1013 3HE TRP1013 5.101 -0.097 2.735 411 HZ2 TRP1013 2HZ TRP1013 5.251 2.773 -1.340 412 HZ3 TRP1013 3HZ TRP1013 5.081 2.359 2.905 413 HH2 TRP1013 HH TRP1013 5.157 3.764 0.908 414 H SER1014 H SER1014 6.276 -3.444 3.792 415 HA SER1014 HA SER1014 7.064 -6.150 4.086 416 1HB SER1014 2HB SER1014 5.515 -4.384 5.998 417 2HB SER1014 1HB SER1014 6.311 -5.902 6.415 418 HG SER1014 HG SER1014 7.361 -3.477 6.365 419 H THR1015 H THR1015 3.868 -4.650 4.612 420 HA THR1015 HA THR1015 2.520 -7.100 4.941 421 HB THR1015 HB THR1015 0.448 -5.812 4.737 422 HG1 THR1015 1HG THR1015 1.034 -4.400 3.054 423 1HG2 THR1015 1HG2 THR1015 1.666 -5.720 6.856 424 2HG2 THR1015 2HG2 THR1015 0.853 -4.189 6.533 425 3HG2 THR1015 3HG2 THR1015 2.591 -4.336 6.272 426 H LYS1016 H LYS1016 0.437 -7.451 3.489 427 HA LYS1016 HA LYS1016 1.408 -7.702 0.723 428 1HB LYS1016 2HB LYS1016 0.002 -9.637 0.483 429 2HB LYS1016 1HB LYS1016 0.953 -9.828 1.948 430 1HG LYS1016 1HG LYS1016 -1.865 -8.788 1.974 431 2HG LYS1016 2HG LYS1016 -1.477 -10.506 2.075 432 1HD LYS1016 2HD LYS1016 -0.468 -8.396 3.981 433 2HD LYS1016 1HD LYS1016 -1.841 -9.460 4.288 434 1HE LYS1016 1HE LYS1016 1.003 -10.340 3.801 435 2HE LYS1016 2HE LYS1016 0.193 -10.285 5.366 436 1HZ LYS1016 1HZ LYS1016 -0.617 -11.975 3.062 437 2HZ LYS1016 2HZ LYS1016 -1.389 -11.925 4.566 438 3HZ LYS1016 3HZ LYS1016 0.191 -12.516 4.447 439 HA PRO1017 HA PRO1017 -1.525 -4.833 -0.807 440 1HB PRO1017 2HB PRO1017 -2.079 -6.837 -2.942 441 2HB PRO1017 1HB PRO1017 -1.619 -5.136 -3.085 442 1HG PRO1017 2HG PRO1017 0.152 -7.066 -3.561 443 2HG PRO1017 1HG PRO1017 0.630 -5.579 -2.721 444 1HD PRO1017 2HD PRO1017 0.132 -8.308 -1.616 445 2HD PRO1017 1HD PRO1017 1.334 -7.095 -1.130 446 HA PRO1018 HA PRO1018 -5.238 -6.813 0.919 447 1HB PRO1018 2HB PRO1018 -6.428 -4.520 1.704 448 2HB PRO1018 1HB PRO1018 -5.127 -5.275 2.633 449 1HG PRO1018 2HG PRO1018 -5.001 -2.977 0.716 450 2HG PRO1018 1HG PRO1018 -4.220 -3.157 2.298 451 1HD PRO1018 2HD PRO1018 -2.920 -3.575 -0.054 452 2HD PRO1018 1HD PRO1018 -2.506 -4.432 1.445 453 H ILE1019 H ILE1019 -7.657 -6.153 0.618 454 HA ILE1019 HA ILE1019 -8.153 -5.001 -2.016 455 HB ILE1019 HB ILE1019 -7.844 -7.301 -2.549 456 1HG1 ILE1019 2HG1 ILE1019 -10.147 -7.951 -3.337 457 2HG1 ILE1019 1HG1 ILE1019 -10.763 -6.557 -2.455 458 1HG2 ILE1019 1HG2 ILE1019 -9.838 -7.937 -0.389 459 2HG2 ILE1019 2HG2 ILE1019 -8.105 -8.263 -0.342 460 3HG2 ILE1019 3HG2 ILE1019 -9.130 -9.105 -1.505 461 1HD1 ILE1019 1HD1 ILE1019 -10.498 -6.057 -4.810 462 2HD1 ILE1019 2HD1 ILE1019 -8.789 -6.482 -4.724 463 3HD1 ILE1019 3HD1 ILE1019 -9.395 -5.083 -3.838 464 H CYS1020 H CYS1020 -10.431 -4.686 -2.454 465 HA CYS1020 HA CYS1020 -11.804 -3.852 -0.010 466 1HB CYS1020 1HB CYS1020 -12.375 -3.172 -2.903 467 2HB CYS1020 2HB CYS1020 -13.210 -2.491 -1.511 468 H GLN1021 H GLN1021 -13.023 -5.428 0.828 469 HA GLN1021 HA GLN1021 -14.094 -7.577 -0.644 470 1HB GLN1021 1HB GLN1021 -13.577 -7.708 1.757 471 2HB GLN1021 2HB GLN1021 -14.875 -6.573 2.098 472 1HG GLN1021 2HG GLN1021 -16.504 -8.173 1.234 473 2HG GLN1021 1HG GLN1021 -15.203 -9.311 0.893 474 1HE2 GLN1021 1HE2 GLN1021 -15.247 -7.264 3.715 475 2HE2 GLN1021 2HE2 GLN1021 -15.510 -8.524 4.867 476 H ARG1022 H ARG1022 -15.513 -4.562 0.525 477 HA ARG1022 HA ARG1022 -17.491 -3.523 0.115 478 1HB ARG1022 2HB ARG1022 -16.875 -3.720 -2.233 479 2HB ARG1022 1HB ARG1022 -17.529 -5.350 -2.294 480 1HG ARG1022 1HG ARG1022 -19.766 -4.483 -1.882 481 2HG ARG1022 2HG ARG1022 -19.120 -2.844 -1.783 482 1HD ARG1022 1HD ARG1022 -20.093 -3.261 -3.974 483 2HD ARG1022 2HD ARG1022 -18.351 -3.005 -4.097 484 HE ARG1022 HE ARG1022 -18.832 -5.754 -3.875 485 1HH1 ARG1022 1HH1 ARG1022 -19.353 -3.137 -6.117 486 2HH1 ARG1022 2HH1 ARG1022 -19.298 -4.155 -7.517 487 1HH2 ARG1022 1HH2 ARG1022 -18.758 -7.101 -5.713 488 2HH2 ARG1022 2HH2 ARG1022 -18.960 -6.408 -7.287 489 H ILE1023 H ILE1023 -19.072 -3.878 1.509 490 HA ILE1023 HA ILE1023 -20.177 -6.557 1.808 491 HB ILE1023 HB ILE1023 -21.458 -5.209 3.708 492 1HG1 ILE1023 2HG1 ILE1023 -19.846 -3.553 4.709 493 2HG1 ILE1023 1HG1 ILE1023 -18.957 -3.600 3.190 494 1HG2 ILE1023 1HG2 ILE1023 -18.594 -6.122 3.888 495 2HG2 ILE1023 2HG2 ILE1023 -20.028 -7.133 4.068 496 3HG2 ILE1023 3HG2 ILE1023 -19.678 -5.879 5.258 497 1HD1 ILE1023 1HD1 ILE1023 -20.420 -1.670 3.300 498 2HD1 ILE1023 2HD1 ILE1023 -21.814 -2.725 3.532 499 3HD1 ILE1023 3HD1 ILE1023 -20.919 -2.766 2.012 500 HA PRO1024 HA PRO1024 -23.961 -5.687 -0.294 501 1HB PRO1024 1HB PRO1024 -25.729 -7.161 1.159 502 2HB PRO1024 2HB PRO1024 -24.564 -7.878 0.040 503 1HG PRO1024 1HG PRO1024 -24.406 -7.597 3.018 504 2HG PRO1024 2HG PRO1024 -23.992 -8.991 2.003 505 1HD PRO1024 1HD PRO1024 -22.114 -7.319 2.981 506 2HD PRO1024 2HD PRO1024 -21.948 -8.102 1.396 Start of MODEL 20 1 1H GLU 957 1HT GLU 957 16.549 0.299 4.739 2 2H GLU 957 2HT GLU 957 16.251 1.404 5.985 3 3H GLU 957 3HT GLU 957 16.686 -0.189 6.354 4 HA GLU 957 HA GLU 957 18.539 1.310 6.685 5 1HB GLU 957 2HB GLU 957 18.864 -0.537 4.309 6 2HB GLU 957 1HB GLU 957 20.179 0.103 5.286 7 1HG GLU 957 2HG GLU 957 19.303 -1.072 7.239 8 2HG GLU 957 1HG GLU 957 17.985 -1.714 6.259 9 H ALA 958 H ALA 958 18.936 3.366 6.246 10 HA ALA 958 HA ALA 958 19.411 5.291 5.134 11 1HB ALA 958 1HB ALA 958 21.177 3.934 4.114 12 2HB ALA 958 2HB ALA 958 20.549 5.137 2.989 13 3HB ALA 958 3HB ALA 958 20.062 3.449 2.836 14 H GLU 959 H GLU 959 18.859 6.553 3.023 15 HA GLU 959 HA GLU 959 16.077 5.902 2.301 16 1HB GLU 959 2HB GLU 959 17.364 8.619 2.615 17 2HB GLU 959 1HB GLU 959 15.722 8.343 2.050 18 1HG GLU 959 1HG GLU 959 16.796 7.602 4.762 19 2HG GLU 959 2HG GLU 959 15.776 8.992 4.396 20 H ALA 960 H ALA 960 16.668 4.759 0.434 21 HA ALA 960 HA ALA 960 17.173 6.430 -1.865 22 1HB ALA 960 1HB ALA 960 19.120 5.200 -2.659 23 2HB ALA 960 2HB ALA 960 19.124 4.232 -1.185 24 3HB ALA 960 3HB ALA 960 19.452 5.963 -1.104 25 H LYS 961 H LYS 961 17.572 4.709 -3.829 26 HA LYS 961 HA LYS 961 16.622 3.152 -5.182 27 1HB LYS 961 2HB LYS 961 17.324 1.588 -3.383 28 2HB LYS 961 1HB LYS 961 15.758 1.809 -2.614 29 1HG LYS 961 2HG LYS 961 14.647 0.841 -4.542 30 2HG LYS 961 1HG LYS 961 16.198 0.671 -5.368 31 1HD LYS 961 2HD LYS 961 16.966 -0.835 -3.582 32 2HD LYS 961 1HD LYS 961 15.391 -0.690 -2.799 33 1HE LYS 961 1HE LYS 961 14.319 -1.652 -4.774 34 2HE LYS 961 2HE LYS 961 15.891 -1.795 -5.560 35 1HZ LYS 961 1HZ LYS 961 16.587 -3.312 -3.811 36 2HZ LYS 961 2HZ LYS 961 15.199 -3.891 -4.588 37 3HZ LYS 961 3HZ LYS 961 15.076 -3.176 -3.060 38 H SER 962 H SER 962 14.586 2.490 -6.073 39 HA SER 962 HA SER 962 12.391 4.203 -5.123 40 1HB SER 962 1HB SER 962 12.932 3.113 -7.895 41 2HB SER 962 2HB SER 962 11.554 4.120 -7.451 42 HG SER 962 HG SER 962 14.052 4.864 -8.091 43 H CYS 963 H CYS 963 10.571 3.306 -4.420 44 HA CYS 963 HA CYS 963 10.256 0.410 -4.631 45 1HB CYS 963 2HB CYS 963 8.680 2.419 -3.005 46 2HB CYS 963 1HB CYS 963 8.555 0.666 -2.889 47 H LYS 964 H LYS 964 8.675 -0.570 -5.772 48 HA LYS 964 HA LYS 964 7.397 0.778 -7.860 49 1HB LYS 964 1HB LYS 964 6.053 -1.327 -8.100 50 2HB LYS 964 2HB LYS 964 7.794 -1.569 -8.065 51 1HG LYS 964 1HG LYS 964 7.668 -2.264 -5.738 52 2HG LYS 964 2HG LYS 964 5.925 -1.981 -5.738 53 1HD LYS 964 2HD LYS 964 5.645 -3.692 -7.464 54 2HD LYS 964 1HD LYS 964 7.388 -3.971 -7.472 55 1HE LYS 964 2HE LYS 964 7.281 -4.654 -5.120 56 2HE LYS 964 1HE LYS 964 5.537 -4.395 -5.129 57 1HZ LYS 964 1HZ LYS 964 7.013 -6.370 -6.785 58 2HZ LYS 964 2HZ LYS 964 5.343 -6.107 -6.837 59 3HZ LYS 964 3HZ LYS 964 6.059 -6.721 -5.433 60 H THR 965 H THR 965 5.867 2.260 -7.678 61 HA THR 965 HA THR 965 4.322 2.605 -5.328 62 HB THR 965 HB THR 965 3.269 4.449 -6.439 63 HG1 THR 965 1HG THR 965 4.466 3.690 -8.895 64 1HG2 THR 965 1HG2 THR 965 5.206 5.712 -7.249 65 2HG2 THR 965 2HG2 THR 965 6.132 4.216 -7.376 66 3HG2 THR 965 3HG2 THR 965 5.605 4.796 -5.795 67 HA PRO 966 HA PRO 966 0.949 -0.074 -6.164 68 1HB PRO 966 2HB PRO 966 -0.914 0.928 -4.509 69 2HB PRO 966 1HB PRO 966 0.552 0.150 -3.899 70 1HG PRO 966 2HG PRO 966 -0.060 3.068 -4.198 71 2HG PRO 966 1HG PRO 966 0.703 2.221 -2.840 72 1HD PRO 966 2HD PRO 966 2.110 3.587 -4.738 73 2HD PRO 966 1HD PRO 966 2.762 2.191 -3.857 74 HA PRO 967 HA PRO 967 -1.625 1.986 -9.216 75 1HB PRO 967 1HB PRO 967 -3.193 -0.124 -9.833 76 2HB PRO 967 2HB PRO 967 -1.522 0.005 -10.392 77 1HG PRO 967 2HG PRO 967 -2.638 -1.553 -8.091 78 2HG PRO 967 1HG PRO 967 -1.435 -2.047 -9.296 79 1HD PRO 967 2HD PRO 967 -0.770 -1.210 -6.796 80 2HD PRO 967 1HD PRO 967 0.282 -0.973 -8.205 81 H ASP 968 H ASP 968 -3.803 2.680 -9.423 82 HA ASP 968 HA ASP 968 -5.073 3.323 -7.026 83 1HB ASP 968 2HB ASP 968 -6.231 3.260 -9.820 84 2HB ASP 968 1HB ASP 968 -6.963 4.072 -8.440 85 HA PRO 969 HA PRO 969 -6.893 -0.717 -6.177 86 1HB PRO 969 1HB PRO 969 -8.157 0.839 -3.992 87 2HB PRO 969 2HB PRO 969 -7.206 -0.648 -3.910 88 1HG PRO 969 2HG PRO 969 -6.182 1.681 -3.106 89 2HG PRO 969 1HG PRO 969 -5.185 0.487 -3.960 90 1HD PRO 969 2HD PRO 969 -6.435 3.002 -4.996 91 2HD PRO 969 1HD PRO 969 -4.833 2.315 -5.339 92 H VAL 970 H VAL 970 -8.956 -1.617 -6.336 93 HA VAL 970 HA VAL 970 -10.875 -0.186 -7.852 94 HB VAL 970 HB VAL 970 -10.688 -2.597 -8.070 95 1HG1 VAL 970 1HG1 VAL 970 -10.055 -3.148 -5.785 96 2HG1 VAL 970 2HG1 VAL 970 -11.447 -4.106 -6.292 97 3HG1 VAL 970 3HG1 VAL 970 -11.671 -2.724 -5.220 98 1HG2 VAL 970 1HG2 VAL 970 -12.837 -1.583 -8.595 99 2HG2 VAL 970 2HG2 VAL 970 -13.354 -1.781 -6.921 100 3HG2 VAL 970 3HG2 VAL 970 -13.058 -3.199 -7.926 101 H ASN 971 H ASN 971 -12.563 1.020 -7.250 102 HA ASN 971 HA ASN 971 -13.890 2.303 -5.921 103 1HB ASN 971 2HB ASN 971 -13.997 -0.259 -4.312 104 2HB ASN 971 1HB ASN 971 -15.089 1.108 -4.106 105 1HD2 ASN 971 1HD2 ASN 971 -15.652 -1.656 -4.847 106 2HD2 ASN 971 2HD2 ASN 971 -16.472 -1.584 -6.366 107 H GLY 972 H GLY 972 -10.988 2.267 -5.402 108 1HA GLY 972 1HA GLY 972 -11.101 3.493 -2.742 109 2HA GLY 972 2HA GLY 972 -9.912 2.227 -3.018 110 H MET 973 H MET 973 -8.575 4.184 -2.306 111 HA MET 973 HA MET 973 -7.211 5.183 -4.597 112 1HB MET 973 1HB MET 973 -7.556 7.595 -4.124 113 2HB MET 973 2HB MET 973 -9.018 6.782 -4.666 114 1HG MET 973 2HG MET 973 -9.799 6.645 -2.355 115 2HG MET 973 1HG MET 973 -8.336 7.466 -1.815 116 1HE MET 973 1HE MET 973 -11.566 9.429 -4.464 117 2HE MET 973 2HE MET 973 -11.672 7.780 -3.845 118 3HE MET 973 3HE MET 973 -10.459 8.192 -5.057 119 H VAL 974 H VAL 974 -5.133 5.455 -4.091 120 HA VAL 974 HA VAL 974 -4.318 5.317 -1.313 121 HB VAL 974 HB VAL 974 -3.106 3.990 -2.971 122 1HG1 VAL 974 1HG1 VAL 974 -3.352 5.441 -4.903 123 2HG1 VAL 974 2HG1 VAL 974 -1.649 5.080 -4.622 124 3HG1 VAL 974 3HG1 VAL 974 -2.307 6.648 -4.154 125 1HG2 VAL 974 1HG2 VAL 974 -0.825 4.634 -2.346 126 2HG2 VAL 974 2HG2 VAL 974 -1.924 4.698 -0.968 127 3HG2 VAL 974 3HG2 VAL 974 -1.427 6.189 -1.769 128 H HIS 975 H HIS 975 -3.123 6.875 -0.215 129 HA HIS 975 HA HIS 975 -3.846 9.564 -1.028 130 1HB HIS 975 2HB HIS 975 -2.661 8.494 1.539 131 2HB HIS 975 1HB HIS 975 -3.107 10.177 1.273 132 HD1 HIS 975 1HD HIS 975 -5.486 10.801 1.717 133 HD2 HIS 975 2HD HIS 975 -4.939 6.688 1.499 134 HE1 HIS 975 1HE HIS 975 -7.682 9.793 2.413 135 HE2 HIS 975 2HE HIS 975 -7.362 7.307 2.161 136 H VAL 976 H VAL 976 -0.920 7.714 -0.325 137 HA VAL 976 HA VAL 976 1.298 8.213 -0.479 138 HB VAL 976 HB VAL 976 0.265 9.765 -2.850 139 1HG1 VAL 976 1HG2 VAL 976 2.556 9.612 -3.730 140 2HG1 VAL 976 2HG2 VAL 976 3.082 8.899 -2.206 141 3HG1 VAL 976 3HG2 VAL 976 2.483 10.557 -2.242 142 1HG2 VAL 976 1HG1 VAL 976 0.954 7.791 -4.132 143 2HG2 VAL 976 2HG1 VAL 976 -0.280 7.400 -2.932 144 3HG2 VAL 976 3HG1 VAL 976 1.407 6.985 -2.631 145 H ILE 977 H ILE 977 1.594 9.380 1.418 146 HA ILE 977 HA ILE 977 0.740 12.056 1.749 147 HB ILE 977 HB ILE 977 2.719 10.421 3.337 148 1HG1 ILE 977 1HG1 ILE 977 0.774 10.507 5.004 149 2HG1 ILE 977 2HG1 ILE 977 -0.208 11.077 3.659 150 1HG2 ILE 977 1HG2 ILE 977 3.218 12.781 3.622 151 2HG2 ILE 977 2HG2 ILE 977 2.495 12.122 5.090 152 3HG2 ILE 977 3HG2 ILE 977 1.526 13.110 3.997 153 1HD1 ILE 977 1HD1 ILE 977 -0.474 8.692 3.998 154 2HD1 ILE 977 2HD1 ILE 977 1.260 8.455 3.783 155 3HD1 ILE 977 3HD1 ILE 977 0.273 9.025 2.437 156 H THR 978 H THR 978 4.114 10.900 1.873 157 HA THR 978 HA THR 978 4.932 13.527 0.831 158 HB THR 978 HB THR 978 7.142 13.049 1.841 159 HG1 THR 978 1HG THR 978 6.400 11.084 3.514 160 1HG2 THR 978 1HG2 THR 978 4.820 12.816 3.758 161 2HG2 THR 978 2HG2 THR 978 5.482 14.317 3.110 162 3HG2 THR 978 3HG2 THR 978 6.458 13.313 4.181 163 H ASP 979 H ASP 979 6.027 10.132 0.746 164 HA ASP 979 HA ASP 979 6.652 10.427 -2.088 165 1HB ASP 979 2HB ASP 979 8.668 9.525 -0.018 166 2HB ASP 979 1HB ASP 979 8.906 9.453 -1.761 167 H ILE 980 H ILE 980 7.953 8.046 -2.488 168 HA ILE 980 HA ILE 980 6.234 5.959 -1.389 169 HB ILE 980 HB ILE 980 6.086 5.134 -3.900 170 1HG1 ILE 980 1HG1 ILE 980 5.561 7.158 -5.342 171 2HG1 ILE 980 2HG1 ILE 980 6.337 8.138 -4.100 172 1HG2 ILE 980 1HG2 ILE 980 4.271 7.221 -2.701 173 2HG2 ILE 980 2HG2 ILE 980 4.192 5.482 -2.420 174 3HG2 ILE 980 3HG2 ILE 980 3.849 6.133 -4.023 175 1HD1 ILE 980 1HD1 ILE 980 8.424 6.943 -4.446 176 2HD1 ILE 980 2HD1 ILE 980 7.845 7.664 -5.948 177 3HD1 ILE 980 3HD1 ILE 980 7.653 5.933 -5.670 178 H GLN 981 H GLN 981 9.068 6.647 -1.185 179 HA GLN 981 HA GLN 981 10.202 4.166 -2.304 180 1HB GLN 981 1HB GLN 981 12.414 5.256 -2.108 181 2HB GLN 981 2HB GLN 981 11.337 6.106 -3.208 182 1HG GLN 981 1HG GLN 981 10.849 7.745 -1.467 183 2HG GLN 981 2HG GLN 981 11.924 6.891 -0.362 184 1HE2 GLN 981 1HE2 GLN 981 12.597 7.262 -3.763 185 2HE2 GLN 981 2HE2 GLN 981 13.926 8.350 -3.583 186 H VAL 982 H VAL 982 12.476 4.002 -0.771 187 HA VAL 982 HA VAL 982 11.563 2.767 1.575 188 HB VAL 982 HB VAL 982 14.349 3.772 0.982 189 1HG1 VAL 982 1HG1 VAL 982 13.384 1.679 2.929 190 2HG1 VAL 982 2HG1 VAL 982 14.034 3.265 3.343 191 3HG1 VAL 982 3HG1 VAL 982 15.071 2.058 2.581 192 1HG2 VAL 982 1HG2 VAL 982 13.059 1.101 0.437 193 2HG2 VAL 982 2HG2 VAL 982 14.768 1.476 0.207 194 3HG2 VAL 982 3HG2 VAL 982 13.546 2.296 -0.766 195 H GLY 983 H GLY 983 11.137 3.490 3.565 196 1HA GLY 983 1HA GLY 983 11.453 4.829 5.473 197 2HA GLY 983 2HA GLY 983 12.300 6.005 4.481 198 H SER 984 H SER 984 9.750 5.421 2.641 199 HA SER 984 HA SER 984 8.201 7.598 3.872 200 1HB SER 984 2HB SER 984 7.411 8.164 1.682 201 2HB SER 984 1HB SER 984 9.154 7.927 1.556 202 HG SER 984 HG SER 984 7.110 6.111 0.808 203 H ARG 985 H ARG 985 6.263 7.184 4.690 204 HA ARG 985 HA ARG 985 5.030 4.582 4.090 205 1HB ARG 985 1HB ARG 985 5.619 4.960 6.444 206 2HB ARG 985 2HB ARG 985 4.631 6.415 6.463 207 1HG ARG 985 2HG ARG 985 2.638 5.052 6.019 208 2HG ARG 985 1HG ARG 985 3.642 3.600 6.051 209 1HD ARG 985 2HD ARG 985 2.521 3.920 8.187 210 2HD ARG 985 1HD ARG 985 4.267 4.081 8.365 211 HE ARG 985 HE ARG 985 3.217 6.628 7.942 212 1HH1 ARG 985 1HH1 ARG 985 3.091 4.101 10.339 213 2HH1 ARG 985 2HH1 ARG 985 2.828 5.191 11.660 214 1HH2 ARG 985 1HH2 ARG 985 2.871 8.069 9.676 215 2HH2 ARG 985 2HH2 ARG 985 2.704 7.446 11.282 216 H ILE 986 H ILE 986 3.236 4.542 2.913 217 HA ILE 986 HA ILE 986 1.588 6.980 2.763 218 HB ILE 986 HB ILE 986 0.739 6.185 0.636 219 1HG1 ILE 986 1HG1 ILE 986 2.602 3.827 0.991 220 2HG1 ILE 986 2HG1 ILE 986 0.849 3.763 1.141 221 1HG2 ILE 986 1HG2 ILE 986 2.762 7.526 0.599 222 2HG2 ILE 986 2HG2 ILE 986 2.796 6.330 -0.697 223 3HG2 ILE 986 3HG2 ILE 986 3.749 6.074 0.764 224 1HD1 ILE 986 1HD1 ILE 986 1.580 2.925 -1.012 225 2HD1 ILE 986 2HD1 ILE 986 2.380 4.460 -1.351 226 3HD1 ILE 986 3HD1 ILE 986 0.624 4.396 -1.201 227 H THR 987 H THR 987 -0.796 6.375 2.182 228 HA THR 987 HA THR 987 -1.656 4.144 3.900 229 HB THR 987 HB THR 987 -3.488 5.543 4.780 230 HG1 THR 987 1HG THR 987 -2.785 7.968 4.399 231 1HG2 THR 987 1HG2 THR 987 -2.132 6.929 6.283 232 2HG2 THR 987 2HG2 THR 987 -0.738 6.713 5.225 233 3HG2 THR 987 3HG2 THR 987 -1.424 5.328 6.074 234 H TYR 988 H TYR 988 -3.484 3.062 3.276 235 HA TYR 988 HA TYR 988 -4.616 3.828 0.668 236 1HB TYR 988 2HB TYR 988 -4.542 1.105 1.988 237 2HB TYR 988 1HB TYR 988 -5.222 1.460 0.404 238 HD1 TYR 988 1HD TYR 988 -2.068 1.367 2.338 239 HD2 TYR 988 2HD TYR 988 -3.849 1.554 -1.520 240 HE1 TYR 988 1HE TYR 988 0.128 0.956 1.312 241 HE2 TYR 988 2HE TYR 988 -1.658 1.143 -2.557 242 HH TYR 988 HH TYR 988 1.040 0.081 -0.796 243 H SER 989 H SER 989 -6.868 3.694 0.349 244 HA SER 989 HA SER 989 -8.577 3.116 2.621 245 1HB SER 989 2HB SER 989 -8.529 5.864 1.351 246 2HB SER 989 1HB SER 989 -9.722 5.307 2.523 247 HG SER 989 HG SER 989 -6.935 5.635 2.928 248 H CYS 990 H CYS 990 -10.406 2.177 1.971 249 HA CYS 990 HA CYS 990 -11.160 2.433 -0.864 250 1HB CYS 990 2HB CYS 990 -10.514 0.149 -0.099 251 2HB CYS 990 1HB CYS 990 -11.848 0.191 1.049 252 H THR 991 H THR 991 -13.600 1.983 -1.186 253 HA THR 991 HA THR 991 -15.080 4.026 -0.012 254 HB THR 991 HB THR 991 -17.072 2.694 -0.924 255 HG1 THR 991 1HG THR 991 -16.098 1.128 -2.583 256 1HG2 THR 991 1HG2 THR 991 -16.029 4.541 -2.139 257 2HG2 THR 991 2HG2 THR 991 -16.512 3.252 -3.243 258 3HG2 THR 991 3HG2 THR 991 -14.818 3.434 -2.787 259 H THR 992 H THR 992 -16.813 3.991 1.473 260 HA THR 992 HA THR 992 -16.302 2.492 3.804 261 HB THR 992 HB THR 992 -17.327 4.677 3.971 262 HG1 THR 992 1HG THR 992 -17.968 3.577 5.716 263 1HG2 THR 992 1HG2 THR 992 -19.646 5.068 3.268 264 2HG2 THR 992 2HG2 THR 992 -19.707 3.449 2.572 265 3HG2 THR 992 3HG2 THR 992 -18.617 4.660 1.895 266 H GLY 993 H GLY 993 -17.270 0.722 4.694 267 1HA GLY 993 2HA GLY 993 -18.840 -1.024 4.862 268 2HA GLY 993 1HA GLY 993 -19.516 -0.536 3.315 269 H HIS 994 H HIS 994 -16.104 -0.791 3.469 270 HA HIS 994 HA HIS 994 -16.196 -3.445 2.201 271 1HB HIS 994 1HB HIS 994 -14.540 -1.097 1.250 272 2HB HIS 994 2HB HIS 994 -14.565 -2.707 0.538 273 HD1 HIS 994 1HD HIS 994 -17.192 -0.056 1.326 274 HD2 HIS 994 2HD HIS 994 -16.139 -2.761 -1.645 275 HE1 HIS 994 1HE HIS 994 -18.885 0.265 -0.506 276 HE2 HIS 994 2HE HIS 994 -18.178 -1.324 -2.329 277 H ARG 995 H ARG 995 -14.506 -4.808 2.655 278 HA ARG 995 HA ARG 995 -12.913 -4.030 4.966 279 1HB ARG 995 2HB ARG 995 -13.265 -6.733 3.657 280 2HB ARG 995 1HB ARG 995 -12.425 -6.430 5.171 281 1HG ARG 995 2HG ARG 995 -15.352 -5.931 4.667 282 2HG ARG 995 1HG ARG 995 -14.675 -7.317 5.524 283 1HD ARG 995 2HD ARG 995 -14.426 -4.426 6.349 284 2HD ARG 995 1HD ARG 995 -15.490 -5.626 7.083 285 HE ARG 995 HE ARG 995 -12.857 -6.583 7.174 286 1HH1 ARG 995 1HH1 ARG 995 -14.833 -4.073 8.569 287 2HH1 ARG 995 2HH1 ARG 995 -13.924 -3.999 10.041 288 1HH2 ARG 995 1HH2 ARG 995 -11.656 -6.491 9.111 289 2HH2 ARG 995 2HH2 ARG 995 -12.119 -5.372 10.349 290 H LEU 996 H LEU 996 -11.025 -3.084 4.541 291 HA LEU 996 HA LEU 996 -9.536 -3.429 2.159 292 1HB LEU 996 1HB LEU 996 -9.472 -1.493 3.854 293 2HB LEU 996 2HB LEU 996 -8.389 -2.507 4.782 294 HG LEU 996 HG LEU 996 -7.281 -0.774 3.339 295 1HD1 LEU 996 1HD2 LEU 996 -5.514 -2.264 2.556 296 2HD1 LEU 996 2HD2 LEU 996 -6.578 -3.651 2.788 297 3HD1 LEU 996 3HD2 LEU 996 -6.055 -2.698 4.177 298 1HD2 LEU 996 1HD1 LEU 996 -8.220 -2.573 1.112 299 2HD2 LEU 996 2HD1 LEU 996 -7.070 -1.246 0.949 300 3HD2 LEU 996 3HD1 LEU 996 -8.741 -0.914 1.405 301 H ILE 997 H ILE 997 -8.107 -4.956 1.586 302 HA ILE 997 HA ILE 997 -7.250 -6.896 3.609 303 HB ILE 997 HB ILE 997 -7.040 -7.009 0.598 304 1HG1 ILE 997 1HG1 ILE 997 -8.762 -8.576 2.534 305 2HG1 ILE 997 2HG1 ILE 997 -9.329 -7.271 1.497 306 1HG2 ILE 997 1HG2 ILE 997 -5.169 -8.161 1.643 307 2HG2 ILE 997 2HG2 ILE 997 -6.288 -9.322 0.926 308 3HG2 ILE 997 3HG2 ILE 997 -6.281 -9.064 2.672 309 1HD1 ILE 997 1HD1 ILE 997 -9.898 -9.440 0.578 310 2HD1 ILE 997 2HD1 ILE 997 -8.195 -9.895 0.564 311 3HD1 ILE 997 3HD1 ILE 997 -8.767 -8.588 -0.473 312 H GLY 998 H GLY 998 -5.239 -6.920 4.376 313 1HA GLY 998 2HA GLY 998 -2.805 -6.533 3.700 314 2HA GLY 998 1HA GLY 998 -3.378 -4.944 3.225 315 H HIS 999 H HIS 999 -3.469 -3.369 4.718 316 HA HIS 999 HA HIS 999 -3.788 -3.873 7.505 317 1HB HIS 999 2HB HIS 999 -1.346 -4.462 7.023 318 2HB HIS 999 1HB HIS 999 -1.102 -2.743 6.732 319 HD1 HIS 999 1HD HIS 999 0.367 -2.277 8.741 320 HD2 HIS 999 2HD HIS 999 -3.248 -4.066 9.737 321 HE1 HIS 999 1HE HIS 999 0.225 -2.153 11.248 322 HE2 HIS 999 2HE HIS 999 -2.009 -3.166 11.823 323 H SER1000 H SER1000 -4.602 -2.138 5.099 324 HA SER1000 HA SER1000 -5.299 -0.013 4.688 325 1HB SER1000 2HB SER1000 -6.574 -0.405 6.758 326 2HB SER1000 1HB SER1000 -5.218 0.201 7.708 327 HG SER1000 HG SER1000 -6.928 1.754 7.242 328 H SER1001 H SER1001 -2.328 -0.645 5.272 329 HA SER1001 HA SER1001 -1.324 1.928 4.673 330 1HB SER1001 2HB SER1001 -1.729 2.338 7.060 331 2HB SER1001 1HB SER1001 -0.761 0.923 7.474 332 HG SER1001 HG SER1001 0.040 3.435 6.588 333 H ALA1002 H ALA1002 1.057 1.930 4.473 334 HA ALA1002 HA ALA1002 2.312 -0.697 4.454 335 1HB ALA1002 1HB ALA1002 2.024 0.913 1.921 336 2HB ALA1002 2HB ALA1002 1.149 -0.569 2.298 337 3HB ALA1002 3HB ALA1002 2.900 -0.607 2.101 338 H GLU1003 H GLU1003 4.522 -0.647 4.530 339 HA GLU1003 HA GLU1003 5.875 1.897 3.995 340 1HB GLU1003 1HB GLU1003 5.690 1.732 6.428 341 2HB GLU1003 2HB GLU1003 6.402 0.125 6.389 342 1HG GLU1003 2HG GLU1003 8.027 1.775 7.096 343 2HG GLU1003 1HG GLU1003 8.491 1.062 5.551 344 H CYS1004 H CYS1004 7.383 1.603 2.494 345 HA CYS1004 HA CYS1004 7.820 -0.826 1.252 346 1HB CYS1004 1HB CYS1004 8.284 1.429 0.276 347 2HB CYS1004 2HB CYS1004 9.746 1.504 1.255 348 H ILE1005 H ILE1005 8.475 -2.534 2.436 349 HA ILE1005 HA ILE1005 10.614 -2.230 4.377 350 HB ILE1005 HB ILE1005 10.092 -4.782 4.670 351 1HG1 ILE1005 2HG1 ILE1005 7.648 -5.204 4.198 352 2HG1 ILE1005 1HG1 ILE1005 7.656 -3.750 3.206 353 1HG2 ILE1005 1HG2 ILE1005 8.323 -4.201 6.266 354 2HG2 ILE1005 2HG2 ILE1005 8.187 -2.608 5.523 355 3HG2 ILE1005 3HG2 ILE1005 9.678 -3.075 6.342 356 1HD1 ILE1005 1HD1 ILE1005 9.322 -6.209 2.738 357 2HD1 ILE1005 2HD1 ILE1005 9.325 -4.753 1.743 358 3HD1 ILE1005 3HD1 ILE1005 7.871 -5.745 1.850 359 H LEU1006 H LEU1006 11.768 -4.707 4.392 360 HA LEU1006 HA LEU1006 13.635 -5.729 3.617 361 1HB LEU1006 2HB LEU1006 12.541 -5.083 0.882 362 2HB LEU1006 1HB LEU1006 13.793 -6.252 1.243 363 HG LEU1006 HG LEU1006 10.860 -6.426 1.898 364 1HD1 LEU1006 1HD2 LEU1006 12.718 -8.198 0.322 365 2HD1 LEU1006 2HD2 LEU1006 11.501 -7.109 -0.344 366 3HD1 LEU1006 3HD2 LEU1006 11.007 -8.502 0.618 367 1HD2 LEU1006 1HD1 LEU1006 11.351 -8.529 3.049 368 2HD2 LEU1006 2HD1 LEU1006 12.105 -7.159 3.863 369 3HD2 LEU1006 3HD1 LEU1006 13.078 -8.232 2.857 370 H SER1007 H SER1007 13.391 -3.509 0.877 371 HA SER1007 HA SER1007 14.782 -1.879 0.112 372 1HB SER1007 2HB SER1007 15.238 -1.375 3.062 373 2HB SER1007 1HB SER1007 15.587 -0.247 1.753 374 HG SER1007 HG SER1007 13.063 -1.196 2.613 375 H GLY1008 H GLY1008 15.861 -4.593 0.711 376 1HA GLY1008 2HA GLY1008 18.713 -3.825 0.821 377 2HA GLY1008 1HA GLY1008 18.110 -5.327 1.504 378 H ASN1009 H ASN1009 17.842 -7.085 0.207 379 HA ASN1009 HA ASN1009 18.849 -6.979 -2.488 380 1HB ASN1009 1HB ASN1009 18.329 -9.402 -2.523 381 2HB ASN1009 2HB ASN1009 19.303 -8.946 -1.127 382 1HD2 ASN1009 1HD2 ASN1009 18.378 -8.958 0.921 383 2HD2 ASN1009 2HD2 ASN1009 16.901 -9.790 1.253 384 H THR1010 H THR1010 15.927 -6.277 -1.074 385 HA THR1010 HA THR1010 14.627 -6.167 -3.660 386 HB THR1010 HB THR1010 12.983 -7.430 -1.508 387 HG1 THR1010 1HG THR1010 13.751 -9.447 -1.995 388 1HG2 THR1010 1HG2 THR1010 11.874 -8.463 -3.444 389 2HG2 THR1010 2HG2 THR1010 13.042 -7.691 -4.518 390 3HG2 THR1010 3HG2 THR1010 11.918 -6.705 -3.584 391 H ALA1011 H ALA1011 12.103 -5.460 -2.945 392 HA ALA1011 HA ALA1011 11.890 -3.581 -0.866 393 1HB ALA1011 1HB ALA1011 12.134 -1.488 -2.095 394 2HB ALA1011 2HB ALA1011 12.628 -2.381 -3.534 395 3HB ALA1011 3HB ALA1011 13.645 -2.397 -2.093 396 H HIS1012 H HIS1012 9.771 -3.591 -0.555 397 HA HIS1012 HA HIS1012 7.961 -2.780 -2.614 398 1HB HIS1012 2HB HIS1012 6.566 -4.803 -2.626 399 2HB HIS1012 1HB HIS1012 8.185 -5.140 -3.233 400 HD1 HIS1012 1HD HIS1012 5.736 -6.321 -0.848 401 HD2 HIS1012 2HD HIS1012 9.876 -6.427 -1.185 402 HE1 HIS1012 1HE HIS1012 6.490 -8.140 0.716 403 HE2 HIS1012 2HE HIS1012 9.005 -8.126 0.561 404 H TRP1013 H TRP1013 5.598 -3.072 -1.741 405 HA TRP1013 HA TRP1013 5.647 -1.867 0.906 406 1HB TRP1013 2HB TRP1013 3.384 -2.164 -1.079 407 2HB TRP1013 1HB TRP1013 3.314 -1.245 0.421 408 HD1 TRP1013 HD TRP1013 4.415 -0.988 -3.169 409 HE1 TRP1013 1HE TRP1013 5.352 1.369 -3.614 410 HE3 TRP1013 3HE TRP1013 4.682 0.707 1.648 411 HZ2 TRP1013 2HZ TRP1013 6.096 3.644 -2.127 412 HZ3 TRP1013 3HZ TRP1013 5.519 2.987 2.050 413 HH2 TRP1013 HH TRP1013 6.214 4.423 0.201 414 H SER1014 H SER1014 4.186 -2.508 2.587 415 HA SER1014 HA SER1014 4.281 -5.369 2.874 416 1HB SER1014 1HB SER1014 3.607 -4.931 5.206 417 2HB SER1014 2HB SER1014 4.970 -3.920 4.726 418 HG SER1014 HG SER1014 3.638 -2.178 4.589 419 H THR1015 H THR1015 2.029 -3.327 1.582 420 HA THR1015 HA THR1015 -0.350 -4.587 2.608 421 HB THR1015 HB THR1015 -1.474 -3.337 0.705 422 HG1 THR1015 1HG THR1015 0.101 -2.920 -0.744 423 1HG2 THR1015 1HG2 THR1015 0.190 -1.744 2.659 424 2HG2 THR1015 2HG2 THR1015 -1.396 -2.448 2.978 425 3HG2 THR1015 3HG2 THR1015 -1.228 -1.151 1.794 426 H LYS1016 H LYS1016 -1.799 -5.888 1.406 427 HA LYS1016 HA LYS1016 -0.419 -7.691 -0.420 428 1HB LYS1016 1HB LYS1016 -3.036 -7.874 1.067 429 2HB LYS1016 2HB LYS1016 -2.556 -9.054 -0.143 430 1HG LYS1016 2HG LYS1016 -2.009 -9.947 1.982 431 2HG LYS1016 1HG LYS1016 -0.495 -9.479 1.205 432 1HD LYS1016 2HD LYS1016 -0.441 -7.424 2.509 433 2HD LYS1016 1HD LYS1016 -1.981 -7.845 3.261 434 1HE LYS1016 2HE LYS1016 -0.957 -9.840 4.238 435 2HE LYS1016 1HE LYS1016 0.581 -9.420 3.485 436 1HZ LYS1016 1HZ LYS1016 0.636 -7.397 4.794 437 2HZ LYS1016 2HZ LYS1016 0.506 -8.747 5.805 438 3HZ LYS1016 3HZ LYS1016 -0.850 -7.781 5.506 439 HA PRO1017 HA PRO1017 -2.157 -6.157 -4.218 440 1HB PRO1017 1HB PRO1017 -2.589 -9.071 -4.715 441 2HB PRO1017 2HB PRO1017 -1.873 -7.843 -5.766 442 1HG PRO1017 2HG PRO1017 -0.332 -9.581 -4.463 443 2HG PRO1017 1HG PRO1017 0.161 -7.887 -4.647 444 1HD PRO1017 2HD PRO1017 -0.887 -9.307 -2.248 445 2HD PRO1017 1HD PRO1017 0.277 -7.971 -2.354 446 HA PRO1018 HA PRO1018 -6.449 -8.748 -3.748 447 1HB PRO1018 2HB PRO1018 -6.098 -8.837 -0.781 448 2HB PRO1018 1HB PRO1018 -7.017 -9.920 -1.832 449 1HG PRO1018 2HG PRO1018 -4.621 -10.630 -0.914 450 2HG PRO1018 1HG PRO1018 -5.116 -11.028 -2.568 451 1HD PRO1018 2HD PRO1018 -3.176 -8.997 -1.611 452 2HD PRO1018 1HD PRO1018 -3.221 -9.882 -3.148 453 H ILE1019 H ILE1019 -5.284 -6.723 -1.081 454 HA ILE1019 HA ILE1019 -6.125 -4.826 -0.119 455 HB ILE1019 HB ILE1019 -5.202 -4.175 -2.457 456 1HG1 ILE1019 2HG1 ILE1019 -5.856 -1.808 -2.073 457 2HG1 ILE1019 1HG1 ILE1019 -7.021 -2.359 -0.875 458 1HG2 ILE1019 1HG2 ILE1019 -8.129 -3.622 -2.874 459 2HG2 ILE1019 2HG2 ILE1019 -7.148 -4.786 -3.765 460 3HG2 ILE1019 3HG2 ILE1019 -6.819 -3.060 -3.912 461 1HD1 ILE1019 1HD1 ILE1019 -4.040 -2.731 -0.730 462 2HD1 ILE1019 2HD1 ILE1019 -5.210 -3.270 0.474 463 3HD1 ILE1019 3HD1 ILE1019 -4.987 -1.547 0.170 464 H CYS1020 H CYS1020 -8.168 -3.082 -0.996 465 HA CYS1020 HA CYS1020 -10.332 -3.776 0.404 466 1HB CYS1020 2HB CYS1020 -10.115 -1.618 -0.741 467 2HB CYS1020 1HB CYS1020 -10.444 -2.395 -2.286 468 H GLN1021 H GLN1021 -11.885 -5.269 0.398 469 HA GLN1021 HA GLN1021 -11.714 -7.288 -1.693 470 1HB GLN1021 1HB GLN1021 -11.481 -7.980 0.650 471 2HB GLN1021 2HB GLN1021 -13.084 -7.349 1.003 472 1HG GLN1021 1HG GLN1021 -14.070 -8.983 -0.511 473 2HG GLN1021 2HG GLN1021 -12.466 -9.611 -0.885 474 1HE2 GLN1021 1HE2 GLN1021 -14.982 -9.400 1.498 475 2HE2 GLN1021 2HE2 GLN1021 -14.376 -10.633 2.545 476 H ARG1022 H ARG1022 -14.045 -5.095 -0.250 477 HA ARG1022 HA ARG1022 -16.125 -4.431 -0.867 478 1HB ARG1022 1HB ARG1022 -15.122 -4.018 -3.051 479 2HB ARG1022 2HB ARG1022 -15.369 -5.700 -3.504 480 1HG ARG1022 1HG ARG1022 -17.788 -5.383 -3.362 481 2HG ARG1022 2HG ARG1022 -17.537 -3.695 -2.912 482 1HD ARG1022 2HD ARG1022 -18.072 -3.911 -5.283 483 2HD ARG1022 1HD ARG1022 -16.445 -3.274 -5.046 484 HE ARG1022 HE ARG1022 -16.275 -6.054 -5.314 485 1HH1 ARG1022 1HH1 ARG1022 -17.090 -3.251 -7.218 486 2HH1 ARG1022 2HH1 ARG1022 -16.592 -3.964 -8.715 487 1HH2 ARG1022 1HH2 ARG1022 -15.615 -7.000 -7.280 488 2HH2 ARG1022 2HH2 ARG1022 -15.752 -6.094 -8.750 489 H ILE1023 H ILE1023 -17.754 -5.384 0.129 490 HA ILE1023 HA ILE1023 -18.331 -8.202 -0.398 491 HB ILE1023 HB ILE1023 -19.909 -7.850 1.595 492 1HG1 ILE1023 1HG1 ILE1023 -18.117 -5.448 1.971 493 2HG1 ILE1023 2HG1 ILE1023 -19.821 -5.374 1.532 494 1HG2 ILE1023 1HG2 ILE1023 -18.084 -8.209 3.196 495 2HG2 ILE1023 2HG2 ILE1023 -16.926 -7.682 1.973 496 3HG2 ILE1023 3HG2 ILE1023 -17.867 -9.153 1.722 497 1HD1 ILE1023 1HD1 ILE1023 -20.417 -6.409 3.654 498 2HD1 ILE1023 2HD1 ILE1023 -19.492 -4.926 3.894 499 3HD1 ILE1023 3HD1 ILE1023 -18.712 -6.496 4.094 500 HA PRO1024 HA PRO1024 -21.903 -7.342 -2.873 501 1HB PRO1024 1HB PRO1024 -23.190 -9.549 -1.352 502 2HB PRO1024 2HB PRO1024 -22.989 -9.352 -3.096 503 1HG PRO1024 1HG PRO1024 -21.494 -11.094 -1.743 504 2HG PRO1024 2HG PRO1024 -20.802 -10.132 -3.064 505 1HD PRO1024 1HD PRO1024 -20.526 -9.773 -0.107 506 2HD PRO1024 2HD PRO1024 -19.317 -9.553 -1.388
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