REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3gbu_1_C DATA FIRST_RESID 3 DATA SEQUENCE LIASIGELLI DLISVEEGDL KDVRLFEKHP GGAPANVAVG VSRLGVKSSL DATA SEQUENCE ISKVGNDPFG EYLIEELSKE NVDTRGIVKD EKKHTGIVFV QLKGASPSFL DATA SEQUENCE LYDDVAYFNX TLNDINWDIV EEAKIVNFGS VILARNPSRE TVXKVIKKIK DATA SEQUENCE GSSLIAFDVN LRLDLWRGQE EEXIKVLEES IKLADIVKAS EEEVLYLENQ DATA SEQUENCE GVEVKGSXLT AITLGPKGFR LIKNETVVDV PSYNVNPLDT TGAGDAFXAA DATA SEQUENCE LLVGILKLKG LDLLKLGKFA NLVAALSTQK RGAWSTPRKD ELLKYKEARE DATA SEQUENCE VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 3 L C 0.000 176.862 176.870 -0.013 0.000 1.165 3 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 3 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 4 I N 3.848 124.405 120.570 -0.020 0.000 2.433 4 I HA 0.757 4.931 4.170 0.006 0.000 0.292 4 I C -0.008 176.096 176.117 -0.022 0.000 1.001 4 I CA -0.526 60.763 61.300 -0.018 0.000 1.119 4 I CB 1.990 39.973 38.000 -0.028 0.000 1.289 4 I HN 0.674 8.884 8.210 -0.000 0.000 0.438 5 A N 4.483 127.298 122.820 -0.009 0.000 2.330 5 A HA 0.809 5.132 4.320 0.006 0.000 0.327 5 A C -0.592 176.992 177.584 -0.000 0.000 1.155 5 A CA -0.420 51.609 52.037 -0.013 0.000 0.803 5 A CB 1.297 20.292 19.000 -0.009 0.000 1.208 5 A HN 0.605 8.755 8.150 -0.000 0.000 0.477 6 S N 1.115 116.807 115.700 -0.014 0.000 2.482 6 S HA 0.659 5.132 4.470 0.006 0.000 0.303 6 S C -0.752 173.851 174.600 0.005 0.000 1.091 6 S CA -0.357 57.844 58.200 0.001 0.000 1.057 6 S CB 1.163 64.343 63.200 -0.033 0.000 1.031 6 S HN 0.711 9.021 8.310 -0.000 0.000 0.485 7 I N 2.599 123.199 120.570 0.050 0.000 2.466 7 I HA 0.782 4.955 4.170 0.006 0.000 0.289 7 I C -0.040 176.122 176.117 0.074 0.000 1.026 7 I CA 0.189 61.514 61.300 0.042 0.000 1.078 7 I CB 0.926 38.947 38.000 0.035 0.000 1.249 7 I HN 0.832 9.042 8.210 -0.000 0.000 0.429 8 G N 6.378 115.189 108.800 0.019 0.000 2.344 8 G HA2 0.075 4.038 3.960 0.006 0.000 0.282 8 G HA3 0.075 4.038 3.960 0.006 0.000 0.282 8 G C -1.451 173.373 174.900 -0.126 0.000 1.281 8 G CA -0.659 44.436 45.100 -0.009 0.000 0.877 8 G HN 0.694 8.984 8.290 -0.000 0.000 0.494 9 E N -0.022 119.996 120.200 -0.304 0.000 2.413 9 E HA 0.346 4.700 4.350 0.006 0.000 0.263 9 E C -1.092 175.253 176.600 -0.426 0.000 1.015 9 E CA -0.012 55.974 56.400 -0.690 0.000 0.916 9 E CB 2.044 31.037 29.700 -1.179 0.000 0.947 9 E HN 0.974 9.334 8.360 -0.000 0.000 0.440 10 L N 4.138 125.147 121.223 -0.358 0.000 2.441 10 L HA 0.432 4.776 4.340 0.006 0.000 0.270 10 L C -1.675 175.153 176.870 -0.070 0.000 0.973 10 L CA -0.670 54.096 54.840 -0.124 0.000 0.842 10 L CB 1.283 43.333 42.059 -0.015 0.000 1.239 10 L HN 0.679 8.909 8.230 -0.000 0.000 0.406 11 L N 3.054 124.240 121.223 -0.061 0.000 2.654 11 L HA 0.704 5.047 4.340 0.006 0.000 0.257 11 L C -1.293 175.556 176.870 -0.036 0.000 1.093 11 L CA -0.844 54.000 54.840 0.007 0.000 0.903 11 L CB 1.093 43.163 42.059 0.018 0.000 1.520 11 L HN 0.227 8.457 8.230 -0.000 0.000 0.402 12 I N 1.404 121.937 120.570 -0.062 0.000 2.325 12 I HA 0.335 4.509 4.170 0.006 0.000 0.291 12 I C -0.800 175.186 176.117 -0.218 0.000 1.019 12 I CA 0.159 61.344 61.300 -0.192 0.000 1.302 12 I CB 0.911 38.676 38.000 -0.392 0.000 1.401 12 I HN 0.606 8.816 8.210 -0.000 0.000 0.485 13 D N 7.052 127.337 120.400 -0.193 0.000 2.274 13 D HA 0.389 5.032 4.640 0.006 0.000 0.239 13 D C -0.226 175.963 176.300 -0.186 0.000 1.104 13 D CA -0.165 53.742 54.000 -0.154 0.000 0.840 13 D CB 1.562 42.319 40.800 -0.071 0.000 1.100 13 D HN 0.283 8.653 8.370 -0.000 0.000 0.477 14 L N 4.150 125.214 121.223 -0.266 0.000 2.287 14 L HA 0.394 4.738 4.340 0.006 0.000 0.280 14 L C 0.140 177.094 176.870 0.140 0.000 1.055 14 L CA -0.428 54.288 54.840 -0.207 0.000 0.863 14 L CB 0.498 42.173 42.059 -0.640 0.000 1.245 14 L HN 0.207 8.437 8.230 -0.000 0.000 0.432 15 I N 1.918 122.621 120.570 0.222 0.000 2.352 15 I HA 0.114 4.288 4.170 0.006 0.000 0.290 15 I C 0.627 176.930 176.117 0.310 0.000 1.036 15 I CA -0.168 61.298 61.300 0.277 0.000 1.336 15 I CB 1.161 39.286 38.000 0.208 0.000 1.407 15 I HN 0.523 8.733 8.210 -0.000 0.000 0.497 16 S N 4.732 120.608 115.700 0.295 0.000 2.575 16 S HA -0.007 4.466 4.470 0.006 0.000 0.295 16 S C 1.316 175.883 174.600 -0.055 0.000 1.267 16 S CA -0.509 57.671 58.200 -0.034 0.000 1.074 16 S CB 1.129 64.329 63.200 0.001 0.000 0.829 16 S HN 0.462 8.772 8.310 -0.000 0.000 0.497 17 V N 2.479 122.302 119.914 -0.151 0.000 2.488 17 V HA -0.059 4.064 4.120 0.006 0.000 0.246 17 V C 1.288 177.340 176.094 -0.070 0.000 1.046 17 V CA 1.443 63.697 62.300 -0.077 0.000 1.053 17 V CB -0.481 31.290 31.823 -0.086 0.000 0.679 17 V HN 0.922 9.112 8.190 -0.000 0.000 0.458 18 E N 0.010 120.146 120.200 -0.106 0.000 2.243 18 E HA 0.388 4.741 4.350 0.006 0.000 0.260 18 E C -0.643 175.922 176.600 -0.058 0.000 0.985 18 E CA -0.780 55.577 56.400 -0.072 0.000 0.858 18 E CB 1.515 31.168 29.700 -0.079 0.000 1.210 18 E HN 0.306 8.666 8.360 -0.000 0.000 0.411 19 E N -0.348 119.831 120.200 -0.034 0.000 2.392 19 E HA 0.433 4.787 4.350 0.006 0.000 0.256 19 E C -0.026 176.561 176.600 -0.022 0.000 1.145 19 E CA 0.702 57.091 56.400 -0.019 0.000 0.929 19 E CB 0.892 30.585 29.700 -0.011 0.000 0.998 19 E HN 0.762 9.122 8.360 -0.000 0.000 0.442 20 G N 1.604 110.400 108.800 -0.008 0.000 2.392 20 G HA2 -0.111 3.853 3.960 0.006 0.000 0.677 20 G HA3 -0.111 3.853 3.960 0.006 0.000 0.677 20 G C -1.353 173.553 174.900 0.009 0.000 1.334 20 G CA -0.982 44.115 45.100 -0.005 0.000 0.961 20 G HN 0.459 8.749 8.290 -0.000 0.000 0.616 21 D N 0.041 120.447 120.400 0.010 0.000 2.423 21 D HA 0.225 4.868 4.640 0.006 0.000 0.238 21 D C 1.986 178.312 176.300 0.043 0.000 1.142 21 D CA -0.304 53.709 54.000 0.021 0.000 0.884 21 D CB 1.039 41.844 40.800 0.009 0.000 1.199 21 D HN 0.373 8.743 8.370 -0.000 0.000 0.438 22 L N 1.537 122.805 121.223 0.075 0.000 2.189 22 L HA -0.232 4.112 4.340 0.006 0.000 0.214 22 L C 2.370 179.305 176.870 0.109 0.000 1.097 22 L CA 1.259 56.186 54.840 0.145 0.000 0.764 22 L CB -0.275 41.873 42.059 0.149 0.000 0.900 22 L HN 0.469 8.699 8.230 -0.000 0.000 0.436 23 K N -0.005 120.424 120.400 0.048 0.000 2.103 23 K HA -0.201 4.123 4.320 0.006 0.000 0.207 23 K C 1.101 177.717 176.600 0.026 0.000 1.048 23 K CA 1.791 58.093 56.287 0.025 0.000 0.930 23 K CB 0.083 32.587 32.500 0.006 0.000 0.716 23 K HN 0.371 8.621 8.250 -0.000 0.000 0.444 24 D N 0.244 120.655 120.400 0.019 0.000 2.389 24 D HA 0.019 4.663 4.640 0.006 0.000 0.206 24 D C 0.080 176.365 176.300 -0.024 0.000 1.055 24 D CA 0.022 54.022 54.000 -0.000 0.000 0.856 24 D CB 0.434 41.229 40.800 -0.009 0.000 0.957 24 D HN -0.059 8.311 8.370 -0.000 0.000 0.509 25 V N 2.010 121.905 119.914 -0.032 0.000 2.557 25 V HA -0.054 4.070 4.120 0.006 0.000 0.301 25 V C 1.590 177.561 176.094 -0.205 0.000 1.026 25 V CA 0.596 62.795 62.300 -0.169 0.000 1.137 25 V CB 0.856 32.507 31.823 -0.286 0.000 0.917 25 V HN 0.009 8.199 8.190 -0.000 0.000 0.484 26 R N 3.685 124.055 120.500 -0.216 0.000 2.156 26 R HA 0.346 4.689 4.340 0.006 0.000 0.207 26 R C -0.172 176.020 176.300 -0.180 0.000 1.040 26 R CA 0.378 56.398 56.100 -0.134 0.000 1.013 26 R CB 0.214 30.468 30.300 -0.078 0.000 0.931 26 R HN 0.502 8.772 8.270 -0.000 0.000 0.465 27 L N 0.775 121.796 121.223 -0.336 0.000 2.365 27 L HA 0.479 4.823 4.340 0.006 0.000 0.273 27 L C -1.117 175.469 176.870 -0.473 0.000 1.000 27 L CA -0.824 53.864 54.840 -0.254 0.000 0.819 27 L CB 1.804 43.785 42.059 -0.130 0.000 1.284 27 L HN -0.148 8.082 8.230 -0.000 0.000 0.418 28 F N 0.572 120.545 119.950 0.037 0.000 2.551 28 F HA 0.428 4.958 4.527 0.006 0.000 0.316 28 F C 0.031 175.810 175.800 -0.035 0.000 1.089 28 F CA -0.662 57.359 58.000 0.035 0.000 0.915 28 F CB 2.162 41.219 39.000 0.096 0.000 1.186 28 F HN 0.379 8.679 8.300 -0.000 0.000 0.456 29 E N 3.429 123.698 120.200 0.115 0.000 2.158 29 E HA 0.323 4.677 4.350 0.006 0.000 0.271 29 E C -1.061 175.391 176.600 -0.247 0.000 0.911 29 E CA -0.923 55.427 56.400 -0.084 0.000 0.767 29 E CB 1.179 30.842 29.700 -0.061 0.000 1.120 29 E HN 0.646 9.006 8.360 -0.000 0.000 0.405 30 K N 4.296 124.444 120.400 -0.420 0.000 2.174 30 K HA 0.304 4.627 4.320 0.006 0.000 0.275 30 K C -0.878 175.309 176.600 -0.688 0.000 1.015 30 K CA -0.347 55.630 56.287 -0.516 0.000 0.933 30 K CB 0.979 33.089 32.500 -0.650 0.000 1.025 30 K HN 0.500 8.750 8.250 -0.000 0.000 0.463 31 H N 1.167 120.116 119.070 -0.202 0.000 3.016 31 H HA 0.320 4.880 4.556 0.007 0.000 0.362 31 H C -2.666 172.520 175.328 -0.238 0.000 1.233 31 H CA -2.046 53.896 56.048 -0.175 0.000 1.124 31 H CB 1.898 31.526 29.762 -0.224 0.000 1.850 31 H HN 0.540 8.820 8.280 -0.000 0.000 0.549 32 P HA 0.277 4.697 4.420 -0.000 0.000 0.271 32 P C -0.036 176.989 177.300 -0.459 0.000 1.216 32 P CA 0.094 62.891 63.100 -0.506 0.000 0.776 32 P CB 0.883 31.868 31.700 -1.192 0.000 0.881 33 G N 0.288 108.990 108.800 -0.164 0.000 2.788 33 G HA2 0.694 4.658 3.960 0.006 0.000 0.293 33 G HA3 0.694 4.658 3.960 0.006 0.000 0.293 33 G C -0.913 173.980 174.900 -0.012 0.000 1.392 33 G CA -0.675 44.384 45.100 -0.067 0.000 0.810 33 G HN 0.718 9.008 8.290 -0.000 0.000 0.508 34 G N -1.767 107.004 108.800 -0.048 0.000 3.438 34 G HA2 0.439 4.403 3.960 0.006 0.000 0.684 34 G HA3 0.439 4.403 3.960 0.006 0.000 0.684 34 G C 0.794 175.653 174.900 -0.067 0.000 1.192 34 G CA 0.639 45.663 45.100 -0.126 0.000 1.013 34 G HN 1.959 10.249 8.290 -0.000 0.000 0.530 35 A N 3.825 126.580 122.820 -0.108 0.000 1.896 35 A HA -0.029 4.295 4.320 0.006 0.000 0.220 35 A C 0.686 178.221 177.584 -0.082 0.000 1.206 35 A CA 2.902 54.885 52.037 -0.090 0.000 0.647 35 A CB -1.134 17.790 19.000 -0.127 0.000 0.828 35 A HN 0.594 8.744 8.150 -0.000 0.000 0.455 36 P HA -0.064 4.356 4.420 -0.000 0.000 0.218 36 P C 1.646 178.901 177.300 -0.074 0.000 1.149 36 P CA 1.809 64.862 63.100 -0.078 0.000 0.817 36 P CB -0.105 31.556 31.700 -0.064 0.000 0.785 37 A N -0.241 122.549 122.820 -0.050 0.000 1.897 37 A HA -0.179 4.144 4.320 0.006 0.000 0.215 37 A C 2.062 179.595 177.584 -0.084 0.000 1.181 37 A CA 1.591 53.614 52.037 -0.023 0.000 0.620 37 A CB -1.361 17.701 19.000 0.103 0.000 0.821 37 A HN 0.106 8.256 8.150 -0.000 0.000 0.443 38 N N 0.347 119.056 118.700 0.015 0.000 2.166 38 N HA -0.117 4.626 4.740 0.006 0.000 0.186 38 N C 1.623 177.023 175.510 -0.183 0.000 1.019 38 N CA 1.586 54.615 53.050 -0.035 0.000 0.856 38 N CB -0.610 37.940 38.487 0.105 0.000 0.993 38 N HN 0.268 8.648 8.380 -0.000 0.000 0.426 39 V N 1.360 121.193 119.914 -0.135 0.000 2.427 39 V HA -0.115 4.008 4.120 0.006 0.000 0.248 39 V C 2.389 178.379 176.094 -0.174 0.000 1.051 39 V CA 1.591 63.807 62.300 -0.140 0.000 1.048 39 V CB -0.925 30.834 31.823 -0.108 0.000 0.666 39 V HN 0.287 8.477 8.190 -0.000 0.000 0.456 40 A N -0.196 122.512 122.820 -0.188 0.000 1.902 40 A HA -0.157 4.167 4.320 0.006 0.000 0.217 40 A C 2.392 179.808 177.584 -0.280 0.000 1.181 40 A CA 2.071 53.991 52.037 -0.195 0.000 0.623 40 A CB -0.642 18.255 19.000 -0.172 0.000 0.818 40 A HN 0.330 8.480 8.150 -0.000 0.000 0.443 41 V N -0.177 119.463 119.914 -0.456 0.000 2.358 41 V HA -0.152 3.972 4.120 0.006 0.000 0.246 41 V C 2.807 178.676 176.094 -0.376 0.000 1.047 41 V CA 1.902 63.844 62.300 -0.597 0.000 1.035 41 V CB -1.340 29.726 31.823 -1.262 0.000 0.658 41 V HN 0.614 8.804 8.190 -0.000 0.000 0.452 42 G N -0.378 108.238 108.800 -0.307 0.000 2.422 42 G HA2 -0.193 3.770 3.960 0.006 0.000 0.218 42 G HA3 -0.193 3.770 3.960 0.006 0.000 0.218 42 G C 1.661 176.477 174.900 -0.141 0.000 1.146 42 G CA 1.212 46.198 45.100 -0.189 0.000 0.769 42 G HN 0.382 8.672 8.290 -0.000 0.000 0.547 43 V N 0.696 120.526 119.914 -0.140 0.000 2.307 43 V HA -0.168 3.956 4.120 0.006 0.000 0.245 43 V C 3.021 179.064 176.094 -0.085 0.000 1.045 43 V CA 2.202 64.445 62.300 -0.095 0.000 1.024 43 V CB -0.346 31.422 31.823 -0.091 0.000 0.651 43 V HN 0.491 8.681 8.190 -0.000 0.000 0.449 44 S N -0.295 115.333 115.700 -0.120 0.000 2.368 44 S HA -0.220 4.254 4.470 0.006 0.000 0.225 44 S C 2.128 176.679 174.600 -0.082 0.000 1.030 44 S CA 1.560 59.697 58.200 -0.104 0.000 0.999 44 S CB -0.284 62.831 63.200 -0.140 0.000 0.844 44 S HN 0.561 8.871 8.310 -0.000 0.000 0.459 45 R N 0.117 120.559 120.500 -0.096 0.000 2.237 45 R HA 0.148 4.492 4.340 0.006 0.000 0.219 45 R C 1.757 178.042 176.300 -0.024 0.000 1.080 45 R CA 0.780 56.844 56.100 -0.061 0.000 0.995 45 R CB -0.234 30.023 30.300 -0.071 0.000 0.875 45 R HN 0.428 8.698 8.270 -0.000 0.000 0.462 46 L N -0.660 120.552 121.223 -0.018 0.000 2.591 46 L HA 0.144 4.487 4.340 0.006 0.000 0.228 46 L C 1.080 177.969 176.870 0.032 0.000 1.133 46 L CA 0.465 55.326 54.840 0.035 0.000 0.880 46 L CB 0.336 42.434 42.059 0.066 0.000 1.033 46 L HN 0.458 8.688 8.230 -0.000 0.000 0.450 47 G N -0.298 108.503 108.800 0.000 0.000 2.179 47 G HA2 -0.211 3.753 3.960 0.006 0.000 0.220 47 G HA3 -0.211 3.753 3.960 0.006 0.000 0.220 47 G C 0.054 174.944 174.900 -0.016 0.000 0.990 47 G CA -0.142 44.955 45.100 -0.005 0.000 0.646 47 G HN 0.067 8.357 8.290 -0.000 0.000 0.517 48 V N 1.125 121.026 119.914 -0.022 0.000 2.547 48 V HA 0.446 4.570 4.120 0.006 0.000 0.299 48 V C 0.654 176.726 176.094 -0.037 0.000 1.040 48 V CA -0.989 61.295 62.300 -0.027 0.000 0.913 48 V CB 1.758 33.566 31.823 -0.025 0.000 0.992 48 V HN 0.282 8.472 8.190 -0.000 0.000 0.449 49 K N 2.452 122.832 120.400 -0.033 0.000 2.402 49 K HA 0.258 4.582 4.320 0.006 0.000 0.285 49 K C 0.065 176.639 176.600 -0.044 0.000 1.054 49 K CA 0.284 56.549 56.287 -0.037 0.000 1.001 49 K CB 0.588 33.072 32.500 -0.027 0.000 0.946 49 K HN 0.629 8.879 8.250 -0.000 0.000 0.473 50 S N 1.916 117.581 115.700 -0.059 0.000 2.537 50 S HA 0.428 4.902 4.470 0.006 0.000 0.301 50 S C -0.873 173.687 174.600 -0.066 0.000 1.092 50 S CA -0.611 57.547 58.200 -0.069 0.000 1.048 50 S CB 1.550 64.689 63.200 -0.101 0.000 1.053 50 S HN 0.478 8.788 8.310 -0.000 0.000 0.501 51 S N 2.152 117.816 115.700 -0.060 0.000 2.548 51 S HA 0.784 5.257 4.470 0.006 0.000 0.286 51 S C -1.727 172.839 174.600 -0.057 0.000 1.098 51 S CA -0.632 57.536 58.200 -0.053 0.000 0.930 51 S CB 1.243 64.420 63.200 -0.038 0.000 1.070 51 S HN 0.679 8.989 8.310 -0.000 0.000 0.480 52 L N 4.826 126.016 121.223 -0.055 0.000 2.385 52 L HA 0.701 5.044 4.340 0.006 0.000 0.273 52 L C -1.561 175.282 176.870 -0.044 0.000 0.990 52 L CA -0.333 54.477 54.840 -0.051 0.000 0.821 52 L CB 1.516 43.541 42.059 -0.055 0.000 1.279 52 L HN 0.700 8.930 8.230 -0.000 0.000 0.412 53 I N 4.288 124.832 120.570 -0.043 0.000 2.382 53 I HA 0.603 4.777 4.170 0.006 0.000 0.286 53 I C -0.128 175.969 176.117 -0.034 0.000 1.002 53 I CA -0.058 61.211 61.300 -0.052 0.000 1.135 53 I CB 1.597 39.547 38.000 -0.084 0.000 1.288 53 I HN 0.745 8.955 8.210 -0.000 0.000 0.448 54 S N 5.794 121.481 115.700 -0.021 0.000 2.815 54 S HA 0.572 5.045 4.470 0.006 0.000 0.296 54 S C -1.706 172.908 174.600 0.022 0.000 1.224 54 S CA -0.667 57.535 58.200 0.003 0.000 0.938 54 S CB 1.934 65.132 63.200 -0.003 0.000 1.285 54 S HN 0.586 8.896 8.310 -0.000 0.000 0.549 55 K N 1.402 121.837 120.400 0.058 0.000 2.565 55 K HA 0.609 4.933 4.320 0.006 0.000 0.251 55 K C -1.357 175.296 176.600 0.088 0.000 0.956 55 K CA -0.624 55.700 56.287 0.061 0.000 0.809 55 K CB 1.582 34.114 32.500 0.054 0.000 1.267 55 K HN 0.615 8.865 8.250 -0.000 0.000 0.438 56 V N 0.055 120.013 119.914 0.073 0.000 3.103 56 V HA 0.860 4.983 4.120 0.006 0.000 0.318 56 V C 0.270 176.404 176.094 0.066 0.000 1.114 56 V CA -0.660 61.695 62.300 0.091 0.000 1.020 56 V CB 1.532 33.415 31.823 0.100 0.000 1.085 56 V HN 0.763 8.953 8.190 -0.000 0.000 0.446 57 G N 0.328 109.174 108.800 0.077 0.000 2.537 57 G HA2 0.306 4.269 3.960 0.006 0.000 0.273 57 G HA3 0.306 4.269 3.960 0.006 0.000 0.273 57 G C -0.170 174.760 174.900 0.049 0.000 1.189 57 G CA -0.518 44.607 45.100 0.042 0.000 0.881 57 G HN 1.004 9.294 8.290 -0.000 0.000 0.535 58 N N 0.530 119.244 118.700 0.022 0.000 3.124 58 N HA 0.218 4.962 4.740 0.006 0.000 0.284 58 N C -0.830 174.702 175.510 0.037 0.000 1.209 58 N CA -0.502 52.564 53.050 0.028 0.000 1.149 58 N CB -0.110 38.383 38.487 0.010 0.000 1.434 58 N HN 0.577 8.957 8.380 -0.000 0.000 0.529 59 D N -0.452 119.981 120.400 0.055 0.000 2.610 59 D HA 0.406 5.050 4.640 0.006 0.000 0.271 59 D C -2.243 174.089 176.300 0.053 0.000 1.174 59 D CA -1.548 52.472 54.000 0.034 0.000 0.949 59 D CB 0.486 41.301 40.800 0.025 0.000 1.430 59 D HN -0.112 8.258 8.370 -0.000 0.000 0.467 60 P HA -0.085 4.335 4.420 -0.000 0.000 0.216 60 P C 0.935 178.405 177.300 0.283 0.000 1.150 60 P CA 1.061 64.211 63.100 0.083 0.000 0.843 60 P CB -0.009 31.683 31.700 -0.013 0.000 0.787 61 F N -0.462 119.504 119.950 0.026 0.000 2.259 61 F HA 0.065 4.596 4.527 0.007 0.000 0.298 61 F C 2.489 178.363 175.800 0.123 0.000 1.088 61 F CA 1.080 59.111 58.000 0.051 0.000 1.358 61 F CB -1.853 37.142 39.000 -0.007 0.000 1.040 61 F HN -0.054 8.245 8.300 -0.000 0.000 0.505 62 G N -0.189 108.779 108.800 0.280 0.000 2.421 62 G HA2 -0.232 3.732 3.960 0.006 0.000 0.216 62 G HA3 -0.232 3.732 3.960 0.006 0.000 0.216 62 G C 1.611 176.607 174.900 0.160 0.000 1.171 62 G CA 0.659 45.870 45.100 0.185 0.000 0.775 62 G HN 0.324 8.614 8.290 -0.000 0.000 0.543 63 E N -0.669 119.628 120.200 0.162 0.000 2.077 63 E HA -0.172 4.182 4.350 0.006 0.000 0.193 63 E C 2.032 178.724 176.600 0.153 0.000 0.989 63 E CA 1.100 57.579 56.400 0.132 0.000 0.800 63 E CB -0.300 29.471 29.700 0.119 0.000 0.746 63 E HN 0.579 8.939 8.360 -0.000 0.000 0.452 64 Y N 1.387 121.729 120.300 0.070 0.000 2.097 64 Y HA -0.247 4.306 4.550 0.005 0.000 0.282 64 Y C 1.847 177.755 175.900 0.013 0.000 1.152 64 Y CA 1.562 59.679 58.100 0.029 0.000 1.136 64 Y CB -0.301 38.159 38.460 -0.001 0.000 0.975 64 Y HN -0.049 8.231 8.280 -0.000 0.000 0.498 65 L N -0.196 121.019 121.223 -0.013 0.000 2.042 65 L HA -0.254 4.089 4.340 0.006 0.000 0.210 65 L C 2.511 179.353 176.870 -0.047 0.000 1.076 65 L CA 1.694 56.471 54.840 -0.105 0.000 0.749 65 L CB -0.634 41.454 42.059 0.049 0.000 0.893 65 L HN 0.298 8.528 8.230 -0.000 0.000 0.432 66 I N -0.451 120.123 120.570 0.007 0.000 2.286 66 I HA -0.268 3.906 4.170 0.006 0.000 0.248 66 I C 2.421 178.535 176.117 -0.004 0.000 1.115 66 I CA 1.284 62.593 61.300 0.016 0.000 1.392 66 I CB -0.271 37.747 38.000 0.029 0.000 1.065 66 I HN 0.315 8.525 8.210 -0.000 0.000 0.418 67 E N 0.411 120.592 120.200 -0.032 0.000 2.072 67 E HA -0.183 4.170 4.350 0.006 0.000 0.190 67 E C 2.116 178.683 176.600 -0.054 0.000 0.982 67 E CA 0.796 57.174 56.400 -0.036 0.000 0.803 67 E CB 0.103 29.788 29.700 -0.026 0.000 0.755 67 E HN 0.378 8.738 8.360 -0.000 0.000 0.453 68 E N 0.689 120.805 120.200 -0.140 0.000 2.072 68 E HA -0.146 4.208 4.350 0.006 0.000 0.191 68 E C 2.268 178.987 176.600 0.199 0.000 0.985 68 E CA 0.668 57.042 56.400 -0.043 0.000 0.801 68 E CB -0.192 29.327 29.700 -0.301 0.000 0.750 68 E HN 0.305 8.665 8.360 -0.000 0.000 0.452 69 L N 0.842 122.175 121.223 0.182 0.000 2.083 69 L HA -0.159 4.185 4.340 0.006 0.000 0.209 69 L C 2.516 179.381 176.870 -0.008 0.000 1.083 69 L CA 0.954 55.838 54.840 0.073 0.000 0.752 69 L CB -0.369 41.715 42.059 0.041 0.000 0.899 69 L HN 0.014 8.244 8.230 -0.000 0.000 0.433 70 S N -0.059 115.645 115.700 0.006 0.000 2.359 70 S HA -0.208 4.265 4.470 0.006 0.000 0.224 70 S C 1.879 176.476 174.600 -0.005 0.000 1.035 70 S CA 1.373 59.570 58.200 -0.006 0.000 1.018 70 S CB -0.184 63.016 63.200 0.000 0.000 0.876 70 S HN 0.370 8.680 8.310 -0.000 0.000 0.448 71 K N 0.775 121.184 120.400 0.014 0.000 2.281 71 K HA -0.058 4.266 4.320 0.006 0.000 0.203 71 K C 1.473 178.077 176.600 0.008 0.000 1.046 71 K CA 0.870 57.169 56.287 0.021 0.000 0.938 71 K CB -0.015 32.512 32.500 0.045 0.000 0.737 71 K HN 0.253 8.503 8.250 -0.000 0.000 0.458 72 E N 0.296 120.485 120.200 -0.018 0.000 2.479 72 E HA 0.013 4.367 4.350 0.006 0.000 0.193 72 E C -0.133 176.412 176.600 -0.092 0.000 1.049 72 E CA 0.073 56.424 56.400 -0.081 0.000 0.870 72 E CB 0.234 29.805 29.700 -0.215 0.000 0.944 72 E HN 0.256 8.616 8.360 -0.000 0.000 0.492 73 N N -0.265 118.397 118.700 -0.063 0.000 2.901 73 N HA -0.142 4.602 4.740 0.006 0.000 0.248 73 N C -0.277 175.191 175.510 -0.070 0.000 1.044 73 N CA 0.489 53.506 53.050 -0.055 0.000 0.847 73 N CB -1.647 36.811 38.487 -0.048 0.000 1.127 73 N HN -0.018 8.362 8.380 -0.000 0.000 0.562 74 V N 1.563 121.420 119.914 -0.095 0.000 2.555 74 V HA 0.071 4.195 4.120 0.006 0.000 0.286 74 V C 0.830 176.885 176.094 -0.065 0.000 1.044 74 V CA -0.346 61.893 62.300 -0.102 0.000 1.026 74 V CB 1.381 33.112 31.823 -0.153 0.000 0.981 74 V HN 0.125 8.315 8.190 -0.000 0.000 0.480 75 D N 3.542 123.908 120.400 -0.056 0.000 2.401 75 D HA 0.080 4.724 4.640 0.006 0.000 0.254 75 D C 1.076 177.354 176.300 -0.036 0.000 1.192 75 D CA 0.494 54.471 54.000 -0.038 0.000 0.885 75 D CB 1.287 42.067 40.800 -0.033 0.000 1.147 75 D HN 0.745 9.115 8.370 -0.000 0.000 0.478 76 T N 0.611 115.150 114.554 -0.025 0.000 3.044 76 T HA 0.161 4.515 4.350 0.006 0.000 0.260 76 T C 1.508 176.200 174.700 -0.013 0.000 1.019 76 T CA -0.324 61.765 62.100 -0.017 0.000 0.921 76 T CB -0.025 68.838 68.868 -0.008 0.000 1.053 76 T HN 0.315 8.555 8.240 -0.000 0.000 0.533 77 R N 0.906 121.398 120.500 -0.014 0.000 2.241 77 R HA 0.074 4.418 4.340 0.006 0.000 0.224 77 R C 2.331 178.621 176.300 -0.017 0.000 1.101 77 R CA 1.183 57.276 56.100 -0.011 0.000 0.995 77 R CB -0.360 29.935 30.300 -0.009 0.000 0.870 77 R HN 0.513 8.783 8.270 -0.000 0.000 0.463 78 G N 0.184 108.968 108.800 -0.027 0.000 3.088 78 G HA2 0.106 4.070 3.960 0.006 0.000 0.212 78 G HA3 0.106 4.070 3.960 0.006 0.000 0.212 78 G C 0.382 175.261 174.900 -0.035 0.000 1.173 78 G CA -0.291 44.784 45.100 -0.042 0.000 0.779 78 G HN 0.087 8.377 8.290 -0.000 0.000 0.540 79 I N 1.873 122.432 120.570 -0.018 0.000 2.304 79 I HA 0.232 4.406 4.170 0.006 0.000 0.291 79 I C -0.205 175.914 176.117 0.003 0.000 1.018 79 I CA -0.637 60.660 61.300 -0.004 0.000 1.260 79 I CB 1.677 39.681 38.000 0.007 0.000 1.390 79 I HN -0.266 7.944 8.210 -0.000 0.000 0.475 80 V N 6.647 126.563 119.914 0.004 0.000 2.863 80 V HA 0.331 4.455 4.120 0.006 0.000 0.307 80 V C 0.244 176.349 176.094 0.019 0.000 1.061 80 V CA -0.864 61.440 62.300 0.008 0.000 1.024 80 V CB 1.637 33.461 31.823 0.002 0.000 1.049 80 V HN 0.622 8.812 8.190 -0.000 0.000 0.471 81 K N 1.824 122.234 120.400 0.017 0.000 2.206 81 K HA 0.374 4.697 4.320 0.006 0.000 0.264 81 K C -0.912 175.693 176.600 0.009 0.000 0.967 81 K CA -0.669 55.630 56.287 0.020 0.000 0.844 81 K CB 1.430 33.942 32.500 0.021 0.000 1.099 81 K HN 0.648 8.898 8.250 -0.000 0.000 0.441 82 D N 2.242 122.643 120.400 0.003 0.000 2.225 82 D HA 0.050 4.694 4.640 0.006 0.000 0.248 82 D C 0.325 176.602 176.300 -0.038 0.000 1.096 82 D CA -0.067 53.922 54.000 -0.018 0.000 0.863 82 D CB 1.334 42.117 40.800 -0.027 0.000 1.156 82 D HN 0.413 8.783 8.370 -0.000 0.000 0.450 83 E N 2.348 122.524 120.200 -0.040 0.000 2.385 83 E HA -0.017 4.336 4.350 0.006 0.000 0.194 83 E C 0.837 177.388 176.600 -0.083 0.000 1.013 83 E CA 0.574 56.946 56.400 -0.047 0.000 0.866 83 E CB 0.545 30.228 29.700 -0.028 0.000 0.832 83 E HN 0.415 8.775 8.360 -0.000 0.000 0.500 84 K N 0.125 120.462 120.400 -0.105 0.000 2.344 84 K HA 0.146 4.469 4.320 0.006 0.000 0.200 84 K C 0.677 177.117 176.600 -0.266 0.000 1.132 84 K CA 0.283 56.484 56.287 -0.143 0.000 0.935 84 K CB 0.548 32.998 32.500 -0.084 0.000 1.089 84 K HN -0.124 8.126 8.250 -0.000 0.000 0.496 85 K N 1.949 122.219 120.400 -0.218 0.000 2.143 85 K HA 0.255 4.579 4.320 0.006 0.000 0.272 85 K C -0.156 176.268 176.600 -0.293 0.000 1.001 85 K CA -0.303 55.840 56.287 -0.240 0.000 0.915 85 K CB 0.663 33.107 32.500 -0.094 0.000 1.047 85 K HN 0.151 8.401 8.250 -0.000 0.000 0.458 86 H N -0.273 118.798 119.070 0.003 0.000 2.505 86 H HA 0.163 4.722 4.556 0.006 0.000 0.351 86 H C 0.058 175.404 175.328 0.030 0.000 1.151 86 H CA -0.077 55.973 56.048 0.003 0.000 1.339 86 H CB 0.621 30.372 29.762 -0.018 0.000 1.483 86 H HN 0.389 8.669 8.280 -0.000 0.000 0.558 87 T N 1.616 116.284 114.554 0.189 0.000 2.946 87 T HA 0.060 4.414 4.350 0.006 0.000 0.312 87 T C 1.108 175.921 174.700 0.188 0.000 1.066 87 T CA 0.344 62.555 62.100 0.185 0.000 1.138 87 T CB 0.188 69.201 68.868 0.242 0.000 1.014 87 T HN 0.770 9.010 8.240 -0.000 0.000 0.544 88 G N 1.923 110.848 108.800 0.208 0.000 2.491 88 G HA2 0.474 4.437 3.960 0.006 0.000 0.238 88 G HA3 0.474 4.437 3.960 0.006 0.000 0.238 88 G C -0.148 174.866 174.900 0.190 0.000 1.277 88 G CA -0.527 44.730 45.100 0.262 0.000 0.851 88 G HN 0.915 9.205 8.290 -0.000 0.000 0.573 89 I N -1.193 119.474 120.570 0.162 0.000 2.827 89 I HA 0.789 4.962 4.170 0.006 0.000 0.298 89 I C -1.346 174.798 176.117 0.045 0.000 1.235 89 I CA -1.375 59.923 61.300 -0.003 0.000 1.021 89 I CB 2.408 40.328 38.000 -0.134 0.000 1.259 89 I HN 0.538 8.748 8.210 -0.000 0.000 0.427 90 V N 5.227 125.067 119.914 -0.124 0.000 2.777 90 V HA 0.547 4.670 4.120 0.006 0.000 0.306 90 V C -1.678 174.314 176.094 -0.170 0.000 1.112 90 V CA -0.306 62.007 62.300 0.022 0.000 0.917 90 V CB 2.090 33.960 31.823 0.079 0.000 1.018 90 V HN 0.650 8.840 8.190 -0.000 0.000 0.426 91 F N 5.704 125.714 119.950 0.100 0.000 2.411 91 F HA 0.672 5.202 4.527 0.005 0.000 0.350 91 F C 0.331 176.225 175.800 0.157 0.000 1.114 91 F CA -0.353 57.649 58.000 0.003 0.000 1.135 91 F CB 1.750 40.675 39.000 -0.125 0.000 1.120 91 F HN 0.307 8.607 8.300 -0.000 0.000 0.495 92 V N 2.958 123.058 119.914 0.309 0.000 2.555 92 V HA 0.469 4.593 4.120 0.006 0.000 0.302 92 V C -0.750 175.519 176.094 0.292 0.000 1.038 92 V CA -0.823 61.648 62.300 0.286 0.000 0.887 92 V CB 1.811 33.743 31.823 0.182 0.000 0.991 92 V HN 0.576 8.766 8.190 -0.000 0.000 0.434 93 Q N 3.031 122.970 119.800 0.231 0.000 2.347 93 Q HA 0.530 4.874 4.340 0.006 0.000 0.265 93 Q C -0.239 175.834 176.000 0.121 0.000 1.024 93 Q CA -0.192 55.711 55.803 0.166 0.000 0.731 93 Q CB 1.490 30.313 28.738 0.141 0.000 1.245 93 Q HN 0.682 8.952 8.270 -0.000 0.000 0.472 94 L N 1.566 122.845 121.223 0.093 0.000 2.095 94 L HA 0.087 4.431 4.340 0.006 0.000 0.204 94 L C 0.488 177.387 176.870 0.048 0.000 1.080 94 L CA 0.580 55.459 54.840 0.066 0.000 0.759 94 L CB -0.176 41.910 42.059 0.046 0.000 0.914 94 L HN 0.387 8.617 8.230 -0.000 0.000 0.439 95 K N 0.191 120.614 120.400 0.038 0.000 2.234 95 K HA 0.439 4.763 4.320 0.006 0.000 0.251 95 K C 0.341 176.957 176.600 0.026 0.000 1.011 95 K CA 0.806 57.108 56.287 0.025 0.000 0.889 95 K CB -0.098 32.412 32.500 0.016 0.000 1.011 95 K HN 0.242 8.492 8.250 -0.000 0.000 0.505 96 G N -1.080 107.731 108.800 0.018 0.000 2.603 96 G HA2 0.132 4.095 3.960 0.006 0.000 0.686 96 G HA3 0.132 4.095 3.960 0.006 0.000 0.686 96 G C -0.477 174.432 174.900 0.015 0.000 1.286 96 G CA -0.446 44.663 45.100 0.015 0.000 0.871 96 G HN 0.687 8.977 8.290 -0.000 0.000 0.568 97 A N -0.385 122.442 122.820 0.011 0.000 2.684 97 A HA 0.697 5.021 4.320 0.006 0.000 0.288 97 A C 0.957 178.548 177.584 0.012 0.000 1.337 97 A CA 1.199 53.242 52.037 0.010 0.000 0.946 97 A CB -0.771 18.233 19.000 0.007 0.000 1.093 97 A HN 2.387 10.537 8.150 -0.000 0.000 0.543 98 S N -1.323 114.387 115.700 0.017 0.000 2.908 98 S HA 0.265 4.738 4.470 0.006 0.000 0.140 98 S C -3.225 171.394 174.600 0.032 0.000 0.890 98 S CA -1.050 57.162 58.200 0.019 0.000 0.995 98 S CB -0.810 62.393 63.200 0.006 0.000 1.660 98 S HN 0.083 8.393 8.310 -0.000 0.000 0.507 99 P HA 0.205 4.625 4.420 -0.000 0.000 0.258 99 P C 0.148 177.511 177.300 0.105 0.000 1.172 99 P CA 0.557 63.708 63.100 0.085 0.000 0.762 99 P CB 0.408 32.167 31.700 0.098 0.000 0.764 100 S N 2.829 118.581 115.700 0.086 0.000 2.681 100 S HA 0.892 5.366 4.470 0.006 0.000 0.299 100 S C -0.527 174.155 174.600 0.138 0.000 1.113 100 S CA -0.695 57.507 58.200 0.003 0.000 1.013 100 S CB 1.152 64.325 63.200 -0.047 0.000 1.076 100 S HN 0.386 8.696 8.310 -0.000 0.000 0.534 101 F N -1.262 118.746 119.950 0.096 0.000 2.668 101 F HA 0.811 5.340 4.527 0.005 0.000 0.309 101 F C -1.904 173.977 175.800 0.135 0.000 1.117 101 F CA -1.504 56.572 58.000 0.127 0.000 0.951 101 F CB 1.238 40.299 39.000 0.103 0.000 1.323 101 F HN 0.616 8.916 8.300 -0.000 0.000 0.451 102 L N 3.799 125.283 121.223 0.435 0.000 2.415 102 L HA 0.644 4.988 4.340 0.006 0.000 0.268 102 L C -1.943 175.228 176.870 0.502 0.000 0.984 102 L CA -0.717 54.329 54.840 0.343 0.000 0.853 102 L CB 1.490 43.701 42.059 0.254 0.000 1.215 102 L HN 0.917 9.147 8.230 -0.000 0.000 0.419 103 L N 4.646 126.129 121.223 0.433 0.000 2.307 103 L HA 0.570 4.914 4.340 0.006 0.000 0.284 103 L C -1.212 175.798 176.870 0.233 0.000 1.023 103 L CA -0.525 54.547 54.840 0.387 0.000 0.810 103 L CB 1.094 43.355 42.059 0.337 0.000 1.231 103 L HN 0.544 8.774 8.230 -0.000 0.000 0.423 104 Y N 3.203 123.642 120.300 0.231 0.000 2.316 104 Y HA 0.147 4.700 4.550 0.005 0.000 0.331 104 Y C 1.002 177.016 175.900 0.191 0.000 1.083 104 Y CA -0.571 57.638 58.100 0.180 0.000 1.206 104 Y CB 0.947 39.504 38.460 0.162 0.000 1.195 104 Y HN 0.684 8.964 8.280 -0.000 0.000 0.497 105 D N -0.163 120.333 120.400 0.160 0.000 2.367 105 D HA -0.060 4.584 4.640 0.006 0.000 0.207 105 D C -0.036 176.307 176.300 0.073 0.000 1.034 105 D CA 0.343 54.424 54.000 0.135 0.000 0.861 105 D CB -0.046 40.660 40.800 -0.157 0.000 0.943 105 D HN 0.525 8.895 8.370 -0.000 0.000 0.515 106 D N 0.810 121.259 120.400 0.082 0.000 3.139 106 D HA 0.177 4.820 4.640 0.006 0.000 0.268 106 D C 0.003 176.341 176.300 0.064 0.000 1.322 106 D CA -0.392 53.634 54.000 0.044 0.000 0.940 106 D CB 0.446 41.266 40.800 0.033 0.000 1.050 106 D HN 0.071 8.441 8.370 -0.000 0.000 0.503 107 V N -2.345 117.590 119.914 0.035 0.000 3.177 107 V HA 0.736 4.859 4.120 0.006 0.000 0.319 107 V C 1.692 177.706 176.094 -0.133 0.000 1.125 107 V CA -0.466 61.804 62.300 -0.050 0.000 1.029 107 V CB 1.152 32.915 31.823 -0.099 0.000 1.119 107 V HN 0.053 8.243 8.190 -0.000 0.000 0.452 108 A N 0.862 123.634 122.820 -0.080 0.000 1.927 108 A HA -0.201 4.122 4.320 0.006 0.000 0.220 108 A C 1.841 179.409 177.584 -0.027 0.000 1.185 108 A CA 2.577 54.593 52.037 -0.036 0.000 0.639 108 A CB -1.273 17.740 19.000 0.022 0.000 0.820 108 A HN 1.580 9.730 8.150 -0.000 0.000 0.451 109 Y N -3.624 116.653 120.300 -0.039 0.000 2.509 109 Y HA 0.151 4.705 4.550 0.006 0.000 0.293 109 Y C 1.385 177.229 175.900 -0.094 0.000 1.133 109 Y CA 0.365 58.399 58.100 -0.110 0.000 1.283 109 Y CB -0.692 37.642 38.460 -0.209 0.000 1.001 109 Y HN 0.147 8.427 8.280 -0.000 0.000 0.555 110 F N 0.551 120.367 119.950 -0.224 0.000 2.765 110 F HA 0.196 4.726 4.527 0.006 0.000 0.302 110 F C 0.813 176.580 175.800 -0.055 0.000 1.111 110 F CA -0.714 57.222 58.000 -0.108 0.000 1.359 110 F CB -0.425 38.434 39.000 -0.236 0.000 1.097 110 F HN 0.131 8.431 8.300 -0.000 0.000 0.577 114 L N 0.717 121.985 121.223 0.075 0.000 2.127 114 L HA -0.099 4.245 4.340 0.006 0.000 0.211 114 L C 2.133 179.081 176.870 0.130 0.000 1.089 114 L CA 1.686 56.603 54.840 0.129 0.000 0.757 114 L CB -0.729 41.446 42.059 0.194 0.000 0.899 114 L HN 0.660 8.890 8.230 -0.000 0.000 0.434 115 N N -0.567 118.190 118.700 0.094 0.000 2.512 115 N HA -0.137 4.606 4.740 0.006 0.000 0.183 115 N C 1.051 176.584 175.510 0.040 0.000 1.073 115 N CA 0.761 53.862 53.050 0.085 0.000 0.911 115 N CB -0.117 38.407 38.487 0.063 0.000 0.964 115 N HN 0.276 8.656 8.380 -0.000 0.000 0.447 116 D N 0.018 120.421 120.400 0.005 0.000 2.348 116 D HA 0.022 4.666 4.640 0.006 0.000 0.211 116 D C 0.124 176.366 176.300 -0.097 0.000 0.998 116 D CA 0.286 54.269 54.000 -0.029 0.000 0.873 116 D CB 0.364 41.152 40.800 -0.020 0.000 0.925 116 D HN 0.184 8.554 8.370 -0.000 0.000 0.524 117 I N 1.973 122.436 120.570 -0.177 0.000 2.416 117 I HA 0.016 4.189 4.170 0.006 0.000 0.288 117 I C 0.775 176.623 176.117 -0.448 0.000 1.051 117 I CA -0.306 60.733 61.300 -0.436 0.000 1.375 117 I CB 0.163 37.642 38.000 -0.868 0.000 1.407 117 I HN -0.180 8.030 8.210 -0.000 0.000 0.516 118 N N 6.479 124.975 118.700 -0.339 0.000 2.602 118 N HA 0.039 4.783 4.740 0.006 0.000 0.238 118 N C 0.662 176.059 175.510 -0.188 0.000 1.084 118 N CA -0.302 52.648 53.050 -0.167 0.000 0.952 118 N CB 0.342 38.778 38.487 -0.086 0.000 1.244 118 N HN 0.474 8.854 8.380 -0.000 0.000 0.512 119 W N 1.972 123.273 121.300 0.002 0.000 2.350 119 W HA -0.109 4.555 4.660 0.006 0.000 0.289 119 W C 1.706 178.225 176.519 -0.001 0.000 1.215 119 W CA 0.193 57.538 57.345 -0.001 0.000 1.236 119 W CB 0.151 29.609 29.460 -0.002 0.000 1.130 119 W HN 0.441 8.621 8.180 -0.000 0.000 0.541 120 D N 0.432 120.943 120.400 0.184 0.000 2.092 120 D HA -0.203 4.441 4.640 0.006 0.000 0.193 120 D C 2.074 178.414 176.300 0.067 0.000 0.994 120 D CA 1.728 55.794 54.000 0.110 0.000 0.828 120 D CB -0.702 40.142 40.800 0.073 0.000 0.963 120 D HN 0.185 8.555 8.370 -0.000 0.000 0.450 121 I N 1.190 121.777 120.570 0.028 0.000 2.226 121 I HA -0.224 3.950 4.170 0.006 0.000 0.245 121 I C 2.633 178.750 176.117 0.001 0.000 1.100 121 I CA 0.815 62.116 61.300 0.001 0.000 1.374 121 I CB -0.368 37.615 38.000 -0.028 0.000 1.057 121 I HN -0.042 8.168 8.210 -0.000 0.000 0.413 122 V N -1.115 118.794 119.914 -0.008 0.000 2.490 122 V HA -0.204 3.919 4.120 0.006 0.000 0.250 122 V C 1.953 178.081 176.094 0.057 0.000 1.061 122 V CA 1.669 63.970 62.300 0.001 0.000 1.064 122 V CB -0.931 30.865 31.823 -0.046 0.000 0.670 122 V HN 0.457 8.647 8.190 -0.000 0.000 0.461 123 E N 0.626 120.882 120.200 0.093 0.000 2.216 123 E HA -0.115 4.239 4.350 0.006 0.000 0.192 123 E C 2.160 178.792 176.600 0.053 0.000 0.988 123 E CA 1.131 57.585 56.400 0.089 0.000 0.834 123 E CB -0.162 29.605 29.700 0.111 0.000 0.772 123 E HN 0.788 9.148 8.360 -0.000 0.000 0.479 124 E N 1.811 122.036 120.200 0.041 0.000 2.051 124 E HA -0.087 4.267 4.350 0.006 0.000 0.192 124 E C 0.956 177.567 176.600 0.019 0.000 0.991 124 E CA 0.560 56.975 56.400 0.025 0.000 0.799 124 E CB -0.248 29.462 29.700 0.017 0.000 0.748 124 E HN 0.125 8.485 8.360 -0.000 0.000 0.449 125 A N 1.507 124.337 122.820 0.017 0.000 2.586 125 A HA -0.111 4.212 4.320 0.006 0.000 0.231 125 A C 1.088 178.683 177.584 0.017 0.000 1.055 125 A CA 0.540 52.585 52.037 0.013 0.000 0.756 125 A CB 0.296 19.304 19.000 0.013 0.000 0.988 125 A HN 0.105 8.255 8.150 -0.000 0.000 0.509 126 K N 0.749 121.156 120.400 0.011 0.000 2.211 126 K HA 0.280 4.604 4.320 0.006 0.000 0.201 126 K C -0.045 176.566 176.600 0.019 0.000 1.052 126 K CA 0.892 57.186 56.287 0.012 0.000 0.973 126 K CB 0.052 32.554 32.500 0.004 0.000 0.766 126 K HN 0.706 8.956 8.250 -0.000 0.000 0.466 127 I N 1.035 121.616 120.570 0.019 0.000 2.533 127 I HA 0.248 4.422 4.170 0.006 0.000 0.290 127 I C -1.304 174.837 176.117 0.041 0.000 1.056 127 I CA -1.273 60.045 61.300 0.031 0.000 1.057 127 I CB 2.470 40.481 38.000 0.019 0.000 1.240 127 I HN -0.351 7.859 8.210 -0.000 0.000 0.423 128 V N 4.630 124.586 119.914 0.070 0.000 2.384 128 V HA 0.340 4.463 4.120 0.006 0.000 0.287 128 V C -0.372 175.819 176.094 0.162 0.000 1.020 128 V CA -0.649 61.705 62.300 0.091 0.000 0.850 128 V CB 1.701 33.573 31.823 0.081 0.000 0.987 128 V HN 0.732 8.922 8.190 -0.000 0.000 0.436 129 N N 4.637 123.422 118.700 0.142 0.000 2.424 129 N HA 0.613 5.357 4.740 0.006 0.000 0.271 129 N C -0.910 174.743 175.510 0.238 0.000 0.985 129 N CA -0.547 52.594 53.050 0.152 0.000 0.921 129 N CB 1.050 39.560 38.487 0.038 0.000 1.149 129 N HN 0.545 8.925 8.380 -0.000 0.000 0.492 130 F N 0.885 120.907 119.950 0.120 0.000 2.546 130 F HA 0.843 5.374 4.527 0.007 0.000 0.320 130 F C 0.602 176.526 175.800 0.207 0.000 1.076 130 F CA -1.283 56.799 58.000 0.137 0.000 0.928 130 F CB 0.854 39.934 39.000 0.132 0.000 1.189 130 F HN 0.392 8.692 8.300 -0.000 0.000 0.465 131 G N 0.737 109.651 108.800 0.190 0.000 2.539 131 G HA2 0.337 4.300 3.960 0.006 0.000 0.258 131 G HA3 0.337 4.300 3.960 0.006 0.000 0.258 131 G C 0.218 175.245 174.900 0.213 0.000 1.202 131 G CA -0.029 45.107 45.100 0.060 0.000 0.851 131 G HN 0.880 9.170 8.290 -0.000 0.000 0.556 132 S N -0.211 115.544 115.700 0.092 0.000 2.452 132 S HA -0.061 4.413 4.470 0.006 0.000 0.225 132 S C 2.521 177.307 174.600 0.310 0.000 1.057 132 S CA 0.825 59.193 58.200 0.280 0.000 0.949 132 S CB -0.187 63.014 63.200 0.002 0.000 0.836 132 S HN 0.291 8.601 8.310 -0.000 0.000 0.518 133 V N 2.592 122.600 119.914 0.157 0.000 2.324 133 V HA -0.168 3.955 4.120 0.006 0.000 0.250 133 V C 2.276 178.542 176.094 0.287 0.000 1.060 133 V CA 2.080 64.487 62.300 0.178 0.000 1.042 133 V CB -0.572 31.250 31.823 -0.002 0.000 0.650 133 V HN 0.629 8.819 8.190 -0.000 0.000 0.450 134 I N -0.574 120.108 120.570 0.186 0.000 2.567 134 I HA -0.217 3.957 4.170 0.006 0.000 0.257 134 I C 1.862 178.256 176.117 0.463 0.000 1.184 134 I CA 1.354 62.809 61.300 0.257 0.000 1.451 134 I CB 0.075 38.156 38.000 0.134 0.000 1.089 134 I HN 0.282 8.492 8.210 -0.000 0.000 0.441 135 L N 0.454 121.935 121.223 0.431 0.000 2.552 135 L HA 0.013 4.356 4.340 0.006 0.000 0.227 135 L C 2.576 179.619 176.870 0.288 0.000 1.146 135 L CA 0.504 55.601 54.840 0.428 0.000 0.858 135 L CB -0.678 41.703 42.059 0.537 0.000 0.969 135 L HN 0.245 8.475 8.230 -0.000 0.000 0.451 136 A N -0.082 122.794 122.820 0.094 0.000 2.070 136 A HA -0.033 4.291 4.320 0.006 0.000 0.220 136 A C 1.165 178.331 177.584 -0.698 0.000 1.159 136 A CA 1.058 52.638 52.037 -0.762 0.000 0.656 136 A CB -0.078 18.560 19.000 -0.603 0.000 0.800 136 A HN 0.242 8.392 8.150 -0.000 0.000 0.453 137 R N -1.169 119.107 120.500 -0.373 0.000 2.808 137 R HA 0.403 4.746 4.340 0.006 0.000 0.272 137 R C -1.483 174.768 176.300 -0.083 0.000 0.995 137 R CA -0.613 55.243 56.100 -0.406 0.000 0.917 137 R CB 0.889 30.646 30.300 -0.905 0.000 1.217 137 R HN 0.336 8.606 8.270 -0.000 0.000 0.471 138 N N 1.478 120.132 118.700 -0.077 0.000 2.489 138 N HA 0.307 5.051 4.740 0.006 0.000 0.284 138 N C -1.530 173.984 175.510 0.008 0.000 1.158 138 N CA -1.364 51.690 53.050 0.007 0.000 0.965 138 N CB 1.422 39.911 38.487 0.004 0.000 1.195 138 N HN 0.290 8.670 8.380 -0.000 0.000 0.506 139 P HA 0.050 4.470 4.420 -0.000 0.000 0.241 139 P C 0.427 177.779 177.300 0.086 0.000 1.191 139 P CA 0.625 63.758 63.100 0.055 0.000 0.771 139 P CB 0.409 32.136 31.700 0.044 0.000 0.929 140 S N 0.585 116.361 115.700 0.128 0.000 2.383 140 S HA -0.161 4.312 4.470 0.006 0.000 0.229 140 S C 2.088 176.785 174.600 0.161 0.000 1.030 140 S CA 1.198 59.494 58.200 0.160 0.000 1.002 140 S CB -0.594 62.755 63.200 0.247 0.000 0.829 140 S HN 0.245 8.555 8.310 -0.000 0.000 0.467 141 R N 1.392 121.994 120.500 0.171 0.000 2.082 141 R HA -0.135 4.209 4.340 0.006 0.000 0.234 141 R C 2.037 178.413 176.300 0.127 0.000 1.136 141 R CA 1.732 57.938 56.100 0.177 0.000 0.935 141 R CB -0.249 30.156 30.300 0.175 0.000 0.842 141 R HN 0.241 8.511 8.270 -0.000 0.000 0.430 142 E N -0.114 120.145 120.200 0.098 0.000 2.077 142 E HA -0.155 4.199 4.350 0.006 0.000 0.193 142 E C 2.066 178.705 176.600 0.065 0.000 0.989 142 E CA 1.847 58.291 56.400 0.074 0.000 0.800 142 E CB -0.484 29.254 29.700 0.063 0.000 0.746 142 E HN 0.440 8.800 8.360 -0.000 0.000 0.452 143 T N 1.734 116.330 114.554 0.070 0.000 2.708 143 T HA -0.074 4.279 4.350 0.006 0.000 0.266 143 T C 1.391 176.111 174.700 0.034 0.000 1.037 143 T CA 0.733 62.869 62.100 0.059 0.000 1.146 143 T CB -0.134 68.765 68.868 0.052 0.000 0.865 143 T HN -0.079 8.161 8.240 -0.000 0.000 0.435 147 V N 3.017 123.000 119.914 0.114 0.000 2.282 147 V HA -0.290 3.833 4.120 0.006 0.000 0.249 147 V C 2.181 178.311 176.094 0.060 0.000 1.057 147 V CA 1.864 64.248 62.300 0.140 0.000 1.032 147 V CB -0.409 31.336 31.823 -0.130 0.000 0.645 147 V HN 0.278 8.468 8.190 -0.000 0.000 0.447 148 I N -0.138 120.364 120.570 -0.113 0.000 2.252 148 I HA -0.186 3.987 4.170 0.006 0.000 0.245 148 I C 2.384 178.439 176.117 -0.102 0.000 1.102 148 I CA 1.608 62.786 61.300 -0.204 0.000 1.385 148 I CB -1.230 36.438 38.000 -0.553 0.000 1.064 148 I HN 0.370 8.580 8.210 -0.000 0.000 0.414 149 K N 0.738 121.091 120.400 -0.077 0.000 2.209 149 K HA -0.209 4.115 4.320 0.006 0.000 0.204 149 K C 2.068 178.665 176.600 -0.005 0.000 1.048 149 K CA 1.108 57.370 56.287 -0.040 0.000 0.940 149 K CB -0.069 32.414 32.500 -0.030 0.000 0.729 149 K HN 0.275 8.525 8.250 -0.000 0.000 0.451 150 K N 1.626 122.047 120.400 0.036 0.000 2.186 150 K HA -0.037 4.287 4.320 0.006 0.000 0.202 150 K C 1.844 178.475 176.600 0.051 0.000 1.052 150 K CA 0.728 57.039 56.287 0.040 0.000 0.965 150 K CB 0.183 32.722 32.500 0.066 0.000 0.746 150 K HN 0.231 8.481 8.250 -0.000 0.000 0.457 151 I N -2.544 118.072 120.570 0.076 0.000 3.968 151 I HA 0.090 4.264 4.170 0.006 0.000 0.328 151 I C 1.794 177.931 176.117 0.033 0.000 1.290 151 I CA -0.040 61.301 61.300 0.068 0.000 1.163 151 I CB 0.011 38.067 38.000 0.093 0.000 1.024 151 I HN -0.045 8.165 8.210 -0.000 0.000 0.413 152 K N 2.503 122.911 120.400 0.013 0.000 2.286 152 K HA -0.145 4.178 4.320 0.006 0.000 0.203 152 K C 1.647 178.255 176.600 0.013 0.000 1.045 152 K CA 1.773 58.064 56.287 0.007 0.000 0.935 152 K CB -0.246 32.248 32.500 -0.011 0.000 0.737 152 K HN 0.558 8.808 8.250 -0.000 0.000 0.460 153 G N -0.989 107.817 108.800 0.011 0.000 3.088 153 G HA2 0.029 3.993 3.960 0.006 0.000 0.217 153 G HA3 0.029 3.993 3.960 0.006 0.000 0.217 153 G C 0.761 175.668 174.900 0.012 0.000 1.159 153 G CA -0.083 45.022 45.100 0.009 0.000 0.760 153 G HN 0.258 8.548 8.290 -0.000 0.000 0.550 154 S N -0.612 115.098 115.700 0.018 0.000 2.727 154 S HA 0.255 4.729 4.470 0.006 0.000 0.249 154 S C 0.823 175.437 174.600 0.023 0.000 1.079 154 S CA -0.170 58.041 58.200 0.019 0.000 0.912 154 S CB 0.782 63.994 63.200 0.021 0.000 0.861 154 S HN 0.180 8.490 8.310 -0.000 0.000 0.484 155 S N 1.254 116.972 115.700 0.030 0.000 2.621 155 S HA 0.634 5.107 4.470 0.006 0.000 0.302 155 S C -0.594 174.029 174.600 0.038 0.000 1.093 155 S CA -0.680 57.540 58.200 0.033 0.000 1.017 155 S CB 1.315 64.539 63.200 0.040 0.000 1.077 155 S HN 0.212 8.522 8.310 -0.000 0.000 0.517 156 L N 1.824 123.071 121.223 0.039 0.000 2.371 156 L HA 0.453 4.797 4.340 0.006 0.000 0.272 156 L C -0.627 176.285 176.870 0.071 0.000 1.124 156 L CA -0.141 54.728 54.840 0.048 0.000 0.816 156 L CB 0.308 42.389 42.059 0.037 0.000 1.129 156 L HN 0.482 8.712 8.230 -0.000 0.000 0.448 157 I N 2.411 123.039 120.570 0.096 0.000 2.433 157 I HA 0.545 4.719 4.170 0.006 0.000 0.292 157 I C -0.104 176.125 176.117 0.185 0.000 1.001 157 I CA -0.370 61.027 61.300 0.162 0.000 1.119 157 I CB 1.914 40.020 38.000 0.176 0.000 1.289 157 I HN 0.611 8.821 8.210 -0.000 0.000 0.438 158 A N 6.228 129.173 122.820 0.208 0.000 2.350 158 A HA 0.837 5.160 4.320 0.006 0.000 0.324 158 A C -1.411 176.258 177.584 0.141 0.000 1.118 158 A CA -0.372 51.749 52.037 0.140 0.000 0.783 158 A CB 1.243 20.276 19.000 0.056 0.000 1.236 158 A HN 0.565 8.715 8.150 -0.000 0.000 0.457 159 F N 1.911 121.765 119.950 -0.160 0.000 2.607 159 F HA 0.433 4.964 4.527 0.007 0.000 0.322 159 F C -1.305 174.354 175.800 -0.234 0.000 1.176 159 F CA -0.879 56.883 58.000 -0.398 0.000 0.977 159 F CB 1.892 40.601 39.000 -0.485 0.000 1.242 159 F HN 0.542 8.842 8.300 -0.000 0.000 0.465 160 D N 5.230 125.134 120.400 -0.826 0.000 2.373 160 D HA 0.248 4.891 4.640 0.006 0.000 0.227 160 D C 1.002 176.664 176.300 -1.063 0.000 1.091 160 D CA -0.087 53.526 54.000 -0.645 0.000 0.840 160 D CB 1.872 42.438 40.800 -0.389 0.000 1.060 160 D HN 0.396 8.766 8.370 -0.000 0.000 0.502 161 V N 3.984 123.443 119.914 -0.759 0.000 2.380 161 V HA -0.293 3.830 4.120 0.006 0.000 0.251 161 V C 1.296 177.179 176.094 -0.351 0.000 1.063 161 V CA 1.344 63.312 62.300 -0.553 0.000 1.055 161 V CB -1.230 30.512 31.823 -0.135 0.000 0.657 161 V HN 0.800 8.990 8.190 -0.000 0.000 0.455 162 N N 0.466 119.000 118.700 -0.276 0.000 2.770 162 N HA -0.243 4.501 4.740 0.006 0.000 0.283 162 N C -0.490 174.975 175.510 -0.074 0.000 1.009 162 N CA 0.365 53.315 53.050 -0.167 0.000 0.828 162 N CB -1.107 37.261 38.487 -0.198 0.000 0.939 162 N HN 0.569 8.949 8.380 -0.000 0.000 0.580 163 L N 1.821 123.019 121.223 -0.042 0.000 2.418 163 L HA 0.264 4.607 4.340 0.006 0.000 0.274 163 L C 0.190 177.087 176.870 0.045 0.000 1.135 163 L CA -0.011 54.834 54.840 0.008 0.000 0.870 163 L CB 0.316 42.349 42.059 -0.043 0.000 1.154 163 L HN 0.178 8.408 8.230 -0.000 0.000 0.462 164 R N 6.426 127.015 120.500 0.149 0.000 2.443 164 R HA 0.215 4.559 4.340 0.006 0.000 0.287 164 R C 0.718 177.202 176.300 0.306 0.000 1.425 164 R CA -0.386 55.842 56.100 0.213 0.000 1.300 164 R CB 0.783 31.189 30.300 0.177 0.000 1.129 164 R HN 0.846 9.116 8.270 -0.000 0.000 0.577 165 L N 0.564 121.892 121.223 0.175 0.000 2.081 165 L HA -0.276 4.068 4.340 0.006 0.000 0.212 165 L C 1.360 178.372 176.870 0.236 0.000 1.080 165 L CA 1.508 56.449 54.840 0.168 0.000 0.754 165 L CB -0.083 41.980 42.059 0.007 0.000 0.893 165 L HN 0.386 8.616 8.230 -0.000 0.000 0.433 166 D N 0.222 120.749 120.400 0.211 0.000 2.158 166 D HA -0.190 4.453 4.640 0.006 0.000 0.197 166 D C 2.239 178.633 176.300 0.158 0.000 0.995 166 D CA 1.319 55.421 54.000 0.170 0.000 0.846 166 D CB -0.156 40.747 40.800 0.171 0.000 0.941 166 D HN 0.380 8.750 8.370 -0.000 0.000 0.456 167 L N -1.322 120.013 121.223 0.186 0.000 2.465 167 L HA -0.060 4.283 4.340 0.006 0.000 0.224 167 L C 1.281 178.016 176.870 -0.225 0.000 1.145 167 L CA 0.440 55.272 54.840 -0.014 0.000 0.834 167 L CB -0.187 41.852 42.059 -0.033 0.000 0.944 167 L HN 0.092 8.322 8.230 -0.000 0.000 0.451 168 W N 0.061 121.397 121.300 0.061 0.000 3.005 168 W HA 0.174 4.837 4.660 0.005 0.000 0.374 168 W C 0.914 177.454 176.519 0.035 0.000 1.076 168 W CA -0.834 56.538 57.345 0.046 0.000 1.794 168 W CB 0.215 29.712 29.460 0.062 0.000 1.113 168 W HN -0.022 8.158 8.180 -0.000 0.000 0.584 169 R N 0.518 121.127 120.500 0.181 0.000 2.537 169 R HA 0.336 4.679 4.340 0.006 0.000 0.281 169 R C 1.174 177.531 176.300 0.095 0.000 0.988 169 R CA 1.130 57.303 56.100 0.122 0.000 1.077 169 R CB -0.056 30.285 30.300 0.068 0.000 0.932 169 R HN 0.204 8.474 8.270 -0.000 0.000 0.409 170 G N 2.195 111.053 108.800 0.096 0.000 2.176 170 G HA2 -0.347 3.616 3.960 0.006 0.000 0.253 170 G HA3 -0.347 3.616 3.960 0.006 0.000 0.253 170 G C 0.281 175.242 174.900 0.101 0.000 0.979 170 G CA 0.518 45.663 45.100 0.075 0.000 0.641 170 G HN 0.851 9.141 8.290 -0.000 0.000 0.530 171 Q N -0.421 119.479 119.800 0.165 0.000 2.052 171 Q HA 0.290 4.634 4.340 0.006 0.000 0.250 171 Q C 1.210 177.372 176.000 0.270 0.000 0.851 171 Q CA 0.434 56.363 55.803 0.211 0.000 1.029 171 Q CB -0.013 28.872 28.738 0.244 0.000 1.274 171 Q HN 0.382 8.652 8.270 -0.000 0.000 0.411 172 E N 1.153 121.474 120.200 0.201 0.000 2.267 172 E HA -0.228 4.125 4.350 0.006 0.000 0.197 172 E C 0.918 177.552 176.600 0.057 0.000 0.998 172 E CA 1.174 57.660 56.400 0.143 0.000 0.830 172 E CB 0.087 29.870 29.700 0.139 0.000 0.751 172 E HN 0.644 9.004 8.360 -0.000 0.000 0.491 173 E N 0.754 120.995 120.200 0.068 0.000 2.072 173 E HA -0.104 4.249 4.350 0.006 0.000 0.190 173 E C 0.884 177.492 176.600 0.013 0.000 0.982 173 E CA 0.522 56.941 56.400 0.032 0.000 0.803 173 E CB 0.170 29.895 29.700 0.042 0.000 0.755 173 E HN 0.138 8.498 8.360 -0.000 0.000 0.453 177 K N 1.640 121.991 120.400 -0.082 0.000 2.026 177 K HA -0.038 4.285 4.320 0.006 0.000 0.208 177 K C 1.992 178.567 176.600 -0.040 0.000 1.048 177 K CA 1.780 58.041 56.287 -0.042 0.000 0.929 177 K CB 0.063 32.556 32.500 -0.013 0.000 0.713 177 K HN 0.131 8.381 8.250 -0.000 0.000 0.439 178 V N 2.131 122.011 119.914 -0.058 0.000 2.287 178 V HA -0.259 3.864 4.120 0.006 0.000 0.248 178 V C 2.295 178.375 176.094 -0.023 0.000 1.053 178 V CA 1.671 63.968 62.300 -0.006 0.000 1.027 178 V CB -0.499 31.360 31.823 0.060 0.000 0.646 178 V HN 0.291 8.481 8.190 -0.000 0.000 0.447 179 L N -0.206 120.976 121.223 -0.067 0.000 2.046 179 L HA -0.222 4.121 4.340 0.006 0.000 0.208 179 L C 2.650 179.521 176.870 0.001 0.000 1.077 179 L CA 2.191 57.036 54.840 0.008 0.000 0.747 179 L CB -0.572 41.493 42.059 0.010 0.000 0.896 179 L HN 0.473 8.703 8.230 -0.000 0.000 0.432 180 E N 0.360 120.551 120.200 -0.015 0.000 2.077 180 E HA -0.287 4.067 4.350 0.006 0.000 0.193 180 E C 2.089 178.678 176.600 -0.019 0.000 0.989 180 E CA 1.391 57.787 56.400 -0.007 0.000 0.800 180 E CB 0.039 29.732 29.700 -0.013 0.000 0.746 180 E HN 0.421 8.781 8.360 -0.000 0.000 0.452 181 E N -0.176 120.007 120.200 -0.028 0.000 2.077 181 E HA -0.156 4.198 4.350 0.006 0.000 0.193 181 E C 2.058 178.623 176.600 -0.059 0.000 0.989 181 E CA 1.311 57.692 56.400 -0.032 0.000 0.800 181 E CB 0.034 29.721 29.700 -0.021 0.000 0.746 181 E HN 0.155 8.515 8.360 -0.000 0.000 0.452 182 S N 0.593 116.227 115.700 -0.111 0.000 2.368 182 S HA -0.139 4.335 4.470 0.006 0.000 0.225 182 S C 1.956 176.420 174.600 -0.228 0.000 1.030 182 S CA 1.056 59.122 58.200 -0.223 0.000 0.999 182 S CB -0.200 62.614 63.200 -0.644 0.000 0.844 182 S HN 0.299 8.609 8.310 -0.000 0.000 0.459 183 I N 1.344 121.823 120.570 -0.152 0.000 2.226 183 I HA -0.200 3.974 4.170 0.006 0.000 0.245 183 I C 2.223 178.357 176.117 0.029 0.000 1.100 183 I CA 1.206 62.513 61.300 0.010 0.000 1.374 183 I CB -0.287 37.762 38.000 0.080 0.000 1.057 183 I HN 0.218 8.428 8.210 -0.000 0.000 0.413 184 K N 0.546 120.950 120.400 0.008 0.000 2.360 184 K HA -0.084 4.240 4.320 0.006 0.000 0.201 184 K C 1.870 178.480 176.600 0.016 0.000 1.046 184 K CA 0.985 57.280 56.287 0.014 0.000 0.945 184 K CB -0.005 32.496 32.500 0.002 0.000 0.750 184 K HN 0.361 8.611 8.250 -0.000 0.000 0.464 185 L N 0.226 121.456 121.223 0.012 0.000 2.477 185 L HA 0.101 4.445 4.340 0.006 0.000 0.220 185 L C 0.770 177.685 176.870 0.076 0.000 1.106 185 L CA -0.399 54.450 54.840 0.015 0.000 0.851 185 L CB 0.184 42.216 42.059 -0.045 0.000 0.994 185 L HN 0.007 8.237 8.230 -0.000 0.000 0.462 186 A N -0.455 122.436 122.820 0.119 0.000 2.310 186 A HA 0.223 4.547 4.320 0.006 0.000 0.299 186 A C 0.206 177.860 177.584 0.117 0.000 1.147 186 A CA -0.494 51.646 52.037 0.172 0.000 0.818 186 A CB 0.450 19.589 19.000 0.232 0.000 1.096 186 A HN 0.094 8.244 8.150 -0.000 0.000 0.495 187 D N 1.001 121.466 120.400 0.109 0.000 2.277 187 D HA 0.111 4.754 4.640 0.006 0.000 0.209 187 D C -0.022 176.322 176.300 0.073 0.000 0.970 187 D CA 1.290 55.335 54.000 0.076 0.000 0.874 187 D CB 0.289 41.126 40.800 0.062 0.000 0.982 187 D HN 0.541 8.911 8.370 -0.000 0.000 0.504 188 I N 1.559 122.180 120.570 0.085 0.000 2.411 188 I HA 0.191 4.365 4.170 0.006 0.000 0.284 188 I C -0.702 175.463 176.117 0.081 0.000 1.012 188 I CA -0.592 60.746 61.300 0.064 0.000 1.119 188 I CB 2.524 40.545 38.000 0.035 0.000 1.261 188 I HN -0.393 7.817 8.210 -0.000 0.000 0.448 189 V N 6.491 126.452 119.914 0.078 0.000 2.459 189 V HA 0.434 4.557 4.120 0.006 0.000 0.295 189 V C -0.128 175.992 176.094 0.044 0.000 1.029 189 V CA -0.711 61.642 62.300 0.087 0.000 0.874 189 V CB 2.037 33.933 31.823 0.122 0.000 0.985 189 V HN 0.644 8.834 8.190 -0.000 0.000 0.438 190 K N 3.675 124.069 120.400 -0.009 0.000 2.270 190 K HA 0.883 5.207 4.320 0.006 0.000 0.255 190 K C -0.861 175.707 176.600 -0.054 0.000 0.936 190 K CA -0.311 55.971 56.287 -0.007 0.000 0.809 190 K CB 1.919 34.411 32.500 -0.013 0.000 1.131 190 K HN 0.889 9.139 8.250 -0.000 0.000 0.427 191 A N 1.721 124.530 122.820 -0.019 0.000 2.601 191 A HA 0.483 4.807 4.320 0.006 0.000 0.291 191 A C -1.105 176.465 177.584 -0.023 0.000 1.075 191 A CA -0.776 51.240 52.037 -0.034 0.000 0.671 191 A CB 1.188 20.186 19.000 -0.003 0.000 1.277 191 A HN 0.784 8.934 8.150 -0.000 0.000 0.417 192 S N -0.459 115.224 115.700 -0.028 0.000 2.672 192 S HA 0.429 4.903 4.470 0.006 0.000 0.276 192 S C 0.836 175.437 174.600 0.002 0.000 1.207 192 S CA 0.444 58.629 58.200 -0.024 0.000 1.002 192 S CB 1.389 64.570 63.200 -0.031 0.000 0.998 192 S HN 0.949 9.259 8.310 -0.000 0.000 0.542 193 E N 0.661 120.862 120.200 0.003 0.000 2.077 193 E HA -0.225 4.129 4.350 0.006 0.000 0.193 193 E C 1.372 177.990 176.600 0.029 0.000 0.989 193 E CA 1.588 57.997 56.400 0.016 0.000 0.800 193 E CB -0.253 29.452 29.700 0.008 0.000 0.746 193 E HN 0.766 9.126 8.360 -0.000 0.000 0.452 194 E N 0.979 121.195 120.200 0.026 0.000 2.070 194 E HA -0.222 4.131 4.350 0.006 0.000 0.197 194 E C 1.933 178.579 176.600 0.076 0.000 1.004 194 E CA 1.840 58.266 56.400 0.044 0.000 0.805 194 E CB -0.168 29.548 29.700 0.026 0.000 0.744 194 E HN 0.432 8.792 8.360 -0.000 0.000 0.451 195 E N 0.022 120.256 120.200 0.056 0.000 2.110 195 E HA -0.138 4.216 4.350 0.006 0.000 0.193 195 E C 2.143 178.813 176.600 0.118 0.000 0.988 195 E CA 1.191 57.642 56.400 0.086 0.000 0.804 195 E CB -0.077 29.644 29.700 0.034 0.000 0.745 195 E HN 0.071 8.431 8.360 -0.000 0.000 0.458 196 V N 1.567 121.525 119.914 0.074 0.000 2.287 196 V HA -0.257 3.867 4.120 0.006 0.000 0.248 196 V C 2.324 178.456 176.094 0.062 0.000 1.053 196 V CA 1.545 63.883 62.300 0.063 0.000 1.027 196 V CB -0.466 31.383 31.823 0.044 0.000 0.646 196 V HN 0.213 8.403 8.190 -0.000 0.000 0.447 197 L N -0.539 120.724 121.223 0.066 0.000 2.017 197 L HA -0.207 4.136 4.340 0.006 0.000 0.208 197 L C 2.323 179.226 176.870 0.055 0.000 1.073 197 L CA 2.219 57.090 54.840 0.052 0.000 0.745 197 L CB -0.967 41.124 42.059 0.055 0.000 0.894 197 L HN 0.477 8.707 8.230 -0.000 0.000 0.432 198 Y N -0.415 119.887 120.300 0.003 0.000 2.097 198 Y HA -0.253 4.301 4.550 0.006 0.000 0.282 198 Y C 2.266 178.164 175.900 -0.003 0.000 1.152 198 Y CA 2.094 60.196 58.100 0.002 0.000 1.136 198 Y CB -0.313 38.149 38.460 0.004 0.000 0.975 198 Y HN 0.176 8.456 8.280 -0.000 0.000 0.498 199 L N 0.013 121.264 121.223 0.045 0.000 2.141 199 L HA -0.179 4.164 4.340 0.006 0.000 0.209 199 L C 2.324 179.136 176.870 -0.096 0.000 1.094 199 L CA 1.500 56.320 54.840 -0.033 0.000 0.763 199 L CB -0.491 41.622 42.059 0.090 0.000 0.908 199 L HN 0.355 8.585 8.230 -0.000 0.000 0.437 200 E N 0.142 120.305 120.200 -0.062 0.000 2.107 200 E HA -0.168 4.186 4.350 0.006 0.000 0.191 200 E C 1.661 178.205 176.600 -0.094 0.000 0.982 200 E CA 0.991 57.357 56.400 -0.056 0.000 0.809 200 E CB -0.213 29.472 29.700 -0.024 0.000 0.756 200 E HN 0.628 8.988 8.360 -0.000 0.000 0.459 201 N N 0.745 119.364 118.700 -0.135 0.000 2.430 201 N HA -0.136 4.607 4.740 0.006 0.000 0.186 201 N C 1.385 176.786 175.510 -0.182 0.000 1.032 201 N CA 0.422 53.384 53.050 -0.148 0.000 0.893 201 N CB 0.110 38.494 38.487 -0.172 0.000 0.957 201 N HN 0.092 8.472 8.380 -0.000 0.000 0.442 202 Q N -0.348 119.313 119.800 -0.232 0.000 2.280 202 Q HA 0.116 4.460 4.340 0.006 0.000 0.201 202 Q C 0.914 176.847 176.000 -0.113 0.000 0.890 202 Q CA 0.054 55.737 55.803 -0.201 0.000 0.947 202 Q CB 0.949 29.523 28.738 -0.274 0.000 1.081 202 Q HN 0.441 8.711 8.270 -0.000 0.000 0.502 203 G N 0.587 109.334 108.800 -0.089 0.000 2.147 203 G HA2 -0.235 3.728 3.960 0.006 0.000 0.244 203 G HA3 -0.235 3.728 3.960 0.006 0.000 0.244 203 G C 0.005 174.881 174.900 -0.039 0.000 1.005 203 G CA 0.278 45.346 45.100 -0.054 0.000 0.713 203 G HN 0.216 8.506 8.290 -0.000 0.000 0.515 204 V N 0.775 120.664 119.914 -0.042 0.000 2.347 204 V HA 0.418 4.542 4.120 0.006 0.000 0.280 204 V C 0.576 176.670 176.094 -0.000 0.000 1.021 204 V CA -0.774 61.515 62.300 -0.017 0.000 0.847 204 V CB 1.735 33.550 31.823 -0.013 0.000 0.990 204 V HN 0.423 8.613 8.190 -0.000 0.000 0.444 205 E N 3.641 123.846 120.200 0.008 0.000 2.290 205 E HA 0.270 4.623 4.350 0.006 0.000 0.277 205 E C -0.909 175.713 176.600 0.037 0.000 1.035 205 E CA -0.341 56.070 56.400 0.019 0.000 0.873 205 E CB 1.373 31.084 29.700 0.017 0.000 1.029 205 E HN 0.501 8.861 8.360 -0.000 0.000 0.419 206 V N 6.514 126.454 119.914 0.044 0.000 2.247 206 V HA 0.284 4.408 4.120 0.006 0.000 0.262 206 V C -0.146 175.985 176.094 0.063 0.000 1.096 206 V CA -0.128 62.211 62.300 0.064 0.000 0.895 206 V CB 0.099 31.961 31.823 0.066 0.000 1.141 206 V HN 0.584 8.774 8.190 -0.000 0.000 0.478 207 K N 2.108 122.548 120.400 0.066 0.000 2.523 207 K HA 0.619 4.943 4.320 0.006 0.000 0.257 207 K C 0.128 176.770 176.600 0.070 0.000 0.932 207 K CA -0.629 55.695 56.287 0.062 0.000 0.812 207 K CB 2.664 35.193 32.500 0.048 0.000 1.326 207 K HN 0.651 8.901 8.250 -0.000 0.000 0.433 208 G N 0.719 109.562 108.800 0.071 0.000 2.476 208 G HA2 0.275 4.238 3.960 0.006 0.000 0.286 208 G HA3 0.275 4.238 3.960 0.006 0.000 0.286 208 G C 0.146 175.081 174.900 0.057 0.000 1.177 208 G CA -0.376 44.768 45.100 0.074 0.000 0.870 208 G HN 0.567 8.857 8.290 -0.000 0.000 0.528 212 T N 3.585 118.179 114.554 0.067 0.000 2.840 212 T HA 0.840 5.194 4.350 0.006 0.000 0.287 212 T C -0.665 174.097 174.700 0.102 0.000 0.991 212 T CA 0.051 62.197 62.100 0.076 0.000 0.964 212 T CB 1.541 70.451 68.868 0.070 0.000 0.954 212 T HN 0.850 9.090 8.240 -0.000 0.000 0.438 213 A N 4.568 127.456 122.820 0.113 0.000 2.267 213 A HA 0.701 5.025 4.320 0.006 0.000 0.315 213 A C -0.325 177.348 177.584 0.147 0.000 1.297 213 A CA -0.672 51.473 52.037 0.181 0.000 0.865 213 A CB 0.135 19.262 19.000 0.212 0.000 1.165 213 A HN 0.705 8.855 8.150 -0.000 0.000 0.513 214 I N 3.405 124.065 120.570 0.151 0.000 2.321 214 I HA 0.259 4.432 4.170 0.006 0.000 0.291 214 I C 0.829 176.992 176.117 0.075 0.000 0.998 214 I CA -0.045 61.306 61.300 0.086 0.000 1.227 214 I CB 1.065 39.105 38.000 0.067 0.000 1.368 214 I HN 0.697 8.907 8.210 -0.000 0.000 0.466 215 T N 5.140 119.689 114.554 -0.009 0.000 2.817 215 T HA 0.565 4.918 4.350 0.006 0.000 0.293 215 T C 0.148 174.827 174.700 -0.034 0.000 0.964 215 T CA -0.600 61.460 62.100 -0.066 0.000 1.085 215 T CB 0.882 69.643 68.868 -0.178 0.000 0.921 215 T HN 0.405 8.645 8.240 -0.000 0.000 0.502 216 L N 3.642 124.849 121.223 -0.027 0.000 2.843 216 L HA 0.507 4.851 4.340 0.006 0.000 0.234 216 L C 1.440 178.287 176.870 -0.037 0.000 1.264 216 L CA -0.664 54.160 54.840 -0.028 0.000 1.052 216 L CB -0.751 41.290 42.059 -0.030 0.000 1.372 216 L HN 1.226 9.456 8.230 -0.000 0.000 0.466 217 G N 1.773 110.548 108.800 -0.042 0.000 2.598 217 G HA2 -0.283 3.680 3.960 0.006 0.000 0.269 217 G HA3 -0.283 3.680 3.960 0.006 0.000 0.269 217 G C -1.769 173.103 174.900 -0.046 0.000 1.289 217 G CA -0.187 44.889 45.100 -0.039 0.000 0.926 217 G HN 0.418 8.708 8.290 -0.000 0.000 0.567 218 P HA 0.021 4.441 4.420 -0.000 0.000 0.222 218 P C 1.807 179.086 177.300 -0.034 0.000 1.147 218 P CA 1.676 64.757 63.100 -0.032 0.000 0.790 218 P CB -0.064 31.624 31.700 -0.020 0.000 0.780 219 K N -0.953 119.425 120.400 -0.038 0.000 2.020 219 K HA 0.040 4.364 4.320 0.006 0.000 0.212 219 K C 1.431 177.990 176.600 -0.070 0.000 1.050 219 K CA 1.524 57.783 56.287 -0.047 0.000 0.929 219 K CB -0.616 31.855 32.500 -0.047 0.000 0.714 219 K HN 0.273 8.523 8.250 -0.000 0.000 0.443 220 G N -0.344 108.412 108.800 -0.073 0.000 2.398 220 G HA2 0.275 4.238 3.960 0.006 0.000 0.251 220 G HA3 0.275 4.238 3.960 0.006 0.000 0.251 220 G C -1.671 173.204 174.900 -0.043 0.000 1.277 220 G CA -0.554 44.490 45.100 -0.093 0.000 0.927 220 G HN 0.203 8.493 8.290 -0.000 0.000 0.477 221 F N -0.911 118.950 119.950 -0.149 0.000 2.650 221 F HA 0.951 5.480 4.527 0.004 0.000 0.320 221 F C -0.461 175.308 175.800 -0.051 0.000 1.091 221 F CA -1.422 56.496 58.000 -0.137 0.000 0.962 221 F CB 2.007 40.863 39.000 -0.240 0.000 1.363 221 F HN 0.654 8.954 8.300 -0.000 0.000 0.482 222 R N 2.150 122.756 120.500 0.176 0.000 2.561 222 R HA 0.689 5.033 4.340 0.006 0.000 0.297 222 R C -2.230 174.226 176.300 0.261 0.000 0.969 222 R CA -0.677 55.475 56.100 0.086 0.000 0.879 222 R CB 1.698 32.018 30.300 0.034 0.000 1.178 222 R HN 0.947 9.217 8.270 -0.000 0.000 0.445 223 L N 5.736 127.088 121.223 0.216 0.000 2.296 223 L HA 0.515 4.859 4.340 0.006 0.000 0.286 223 L C -0.850 176.090 176.870 0.117 0.000 1.023 223 L CA -1.071 53.901 54.840 0.220 0.000 0.812 223 L CB 1.742 43.958 42.059 0.262 0.000 1.223 223 L HN 0.568 8.798 8.230 -0.000 0.000 0.421 224 I N 3.674 124.303 120.570 0.098 0.000 2.418 224 I HA 0.316 4.489 4.170 0.006 0.000 0.287 224 I C -0.159 175.992 176.117 0.058 0.000 1.008 224 I CA -0.311 61.029 61.300 0.066 0.000 1.104 224 I CB 1.702 39.736 38.000 0.057 0.000 1.264 224 I HN 0.409 8.619 8.210 -0.000 0.000 0.438 225 K N 5.857 126.285 120.400 0.047 0.000 2.473 225 K HA 0.373 4.697 4.320 0.006 0.000 0.246 225 K C 0.338 176.958 176.600 0.032 0.000 1.011 225 K CA -0.148 56.163 56.287 0.040 0.000 0.984 225 K CB 0.304 32.827 32.500 0.037 0.000 1.250 225 K HN 0.694 8.944 8.250 -0.000 0.000 0.454 226 N N 2.451 121.169 118.700 0.031 0.000 2.639 226 N HA -0.316 4.427 4.740 0.006 0.000 0.188 226 N C 0.250 175.774 175.510 0.024 0.000 0.541 226 N CA 2.494 55.559 53.050 0.025 0.000 1.646 226 N CB -0.954 37.546 38.487 0.021 0.000 1.456 226 N HN 0.720 9.100 8.380 -0.000 0.000 0.391 227 E N -0.540 119.672 120.200 0.021 0.000 2.526 227 E HA 0.205 4.559 4.350 0.006 0.000 0.208 227 E C -0.673 175.938 176.600 0.018 0.000 0.997 227 E CA 0.174 56.585 56.400 0.018 0.000 0.961 227 E CB 0.303 30.011 29.700 0.014 0.000 1.030 227 E HN 0.485 8.845 8.360 -0.000 0.000 0.483 228 T N 1.442 116.008 114.554 0.021 0.000 2.729 228 T HA 0.280 4.634 4.350 0.006 0.000 0.296 228 T C -0.278 174.437 174.700 0.025 0.000 0.928 228 T CA -0.263 61.849 62.100 0.020 0.000 1.045 228 T CB 1.468 70.349 68.868 0.021 0.000 0.902 228 T HN -0.126 8.114 8.240 -0.000 0.000 0.500 229 V N 3.971 123.897 119.914 0.020 0.000 2.630 229 V HA 0.659 4.782 4.120 0.006 0.000 0.305 229 V C -0.168 175.933 176.094 0.012 0.000 1.046 229 V CA -0.754 61.559 62.300 0.020 0.000 0.934 229 V CB 2.051 33.882 31.823 0.013 0.000 1.003 229 V HN 0.613 8.803 8.190 -0.000 0.000 0.451 230 V N 2.641 122.561 119.914 0.011 0.000 2.577 230 V HA 0.343 4.467 4.120 0.006 0.000 0.294 230 V C -0.965 175.090 176.094 -0.065 0.000 1.052 230 V CA -0.626 61.666 62.300 -0.013 0.000 0.891 230 V CB 1.769 33.599 31.823 0.011 0.000 1.017 230 V HN 0.881 9.071 8.190 -0.000 0.000 0.436 231 D N 2.949 123.287 120.400 -0.104 0.000 2.255 231 D HA 0.542 5.186 4.640 0.006 0.000 0.249 231 D C -0.635 175.492 176.300 -0.289 0.000 1.078 231 D CA 0.096 53.983 54.000 -0.188 0.000 0.896 231 D CB 2.512 43.233 40.800 -0.132 0.000 1.194 231 D HN 0.282 8.652 8.370 -0.000 0.000 0.429 232 V N 4.759 124.360 119.914 -0.522 0.000 2.482 232 V HA 0.279 4.402 4.120 0.006 0.000 0.295 232 V C -2.229 173.559 176.094 -0.510 0.000 1.026 232 V CA -1.445 60.498 62.300 -0.595 0.000 0.856 232 V CB 2.052 33.273 31.823 -1.003 0.000 1.001 232 V HN 0.414 8.604 8.190 -0.000 0.000 0.424 233 P HA 0.211 4.631 4.420 -0.000 0.000 0.279 233 P C -0.145 177.028 177.300 -0.212 0.000 1.239 233 P CA -0.147 62.831 63.100 -0.204 0.000 0.789 233 P CB 1.251 32.879 31.700 -0.119 0.000 0.933 234 S N 2.870 118.489 115.700 -0.136 0.000 2.488 234 S HA 0.117 4.591 4.470 0.006 0.000 0.278 234 S C 0.091 174.686 174.600 -0.008 0.000 1.259 234 S CA -0.504 57.641 58.200 -0.092 0.000 1.061 234 S CB -0.619 62.561 63.200 -0.033 0.000 0.910 234 S HN 0.228 8.538 8.310 -0.000 0.000 0.491 235 Y N 2.378 122.683 120.300 0.008 0.000 3.032 235 Y HA -0.092 4.460 4.550 0.003 0.000 0.344 235 Y C 1.228 177.129 175.900 0.002 0.000 1.273 235 Y CA 0.038 58.141 58.100 0.005 0.000 1.588 235 Y CB -0.249 38.212 38.460 0.003 0.000 1.209 235 Y HN 0.789 9.069 8.280 -0.000 0.000 0.597 236 N N 3.352 122.162 118.700 0.184 0.000 2.605 236 N HA 0.286 5.030 4.740 0.006 0.000 0.282 236 N C -0.987 174.566 175.510 0.071 0.000 1.206 236 N CA -0.244 52.862 53.050 0.094 0.000 1.074 236 N CB -0.175 38.352 38.487 0.067 0.000 1.434 236 N HN 0.422 8.802 8.380 -0.000 0.000 0.506 237 V N 0.282 120.237 119.914 0.069 0.000 3.103 237 V HA 0.641 4.765 4.120 0.006 0.000 0.318 237 V C -0.284 175.830 176.094 0.033 0.000 1.114 237 V CA -1.179 61.148 62.300 0.046 0.000 1.020 237 V CB 2.054 33.907 31.823 0.051 0.000 1.085 237 V HN 0.334 8.524 8.190 -0.000 0.000 0.446 238 N N 2.715 121.429 118.700 0.025 0.000 2.609 238 N HA 0.431 5.175 4.740 0.006 0.000 0.234 238 N C -2.478 173.042 175.510 0.016 0.000 1.001 238 N CA -0.881 52.180 53.050 0.018 0.000 0.926 238 N CB 0.755 39.252 38.487 0.015 0.000 1.130 238 N HN 0.715 9.095 8.380 -0.000 0.000 0.510 239 P HA -0.049 4.371 4.420 -0.000 0.000 0.269 239 P C 0.408 177.713 177.300 0.008 0.000 1.211 239 P CA -0.297 62.809 63.100 0.011 0.000 0.781 239 P CB 1.326 33.031 31.700 0.008 0.000 0.877 240 L N -0.502 120.724 121.223 0.006 0.000 3.066 240 L HA 0.494 4.837 4.340 0.006 0.000 0.272 240 L C -0.797 176.072 176.870 -0.001 0.000 1.101 240 L CA 0.865 55.707 54.840 0.003 0.000 1.022 240 L CB 0.316 42.377 42.059 0.004 0.000 1.600 240 L HN 0.377 8.607 8.230 -0.000 0.000 0.559 241 D N -0.970 119.429 120.400 -0.002 0.000 2.219 241 D HA 0.206 4.850 4.640 0.006 0.000 0.191 241 D C -0.030 176.266 176.300 -0.008 0.000 1.272 241 D CA 0.756 54.752 54.000 -0.008 0.000 0.873 241 D CB 0.840 41.631 40.800 -0.016 0.000 1.730 241 D HN 0.134 8.504 8.370 -0.000 0.000 0.519 242 T N -0.259 114.291 114.554 -0.008 0.000 3.206 242 T HA 0.128 4.481 4.350 0.006 0.000 0.253 242 T C 1.510 176.202 174.700 -0.013 0.000 1.042 242 T CA 0.335 62.428 62.100 -0.011 0.000 0.931 242 T CB 0.057 68.916 68.868 -0.014 0.000 1.029 242 T HN 0.246 8.486 8.240 -0.000 0.000 0.564 243 T N 2.453 116.999 114.554 -0.012 0.000 2.469 243 T HA -0.091 4.263 4.350 0.006 0.000 0.254 243 T C 1.975 176.670 174.700 -0.009 0.000 1.214 243 T CA 1.947 64.040 62.100 -0.012 0.000 1.202 243 T CB -1.023 67.831 68.868 -0.024 0.000 0.864 243 T HN 0.611 8.851 8.240 -0.000 0.000 0.408 244 G N 0.056 108.856 108.800 0.001 0.000 3.327 244 G HA2 0.397 4.361 3.960 0.006 0.000 0.240 244 G HA3 0.397 4.361 3.960 0.006 0.000 0.240 244 G C 1.402 176.303 174.900 0.003 0.000 1.222 244 G CA 0.643 45.752 45.100 0.015 0.000 0.871 244 G HN 0.577 8.867 8.290 -0.000 0.000 0.525 245 A N 0.851 123.666 122.820 -0.009 0.000 1.908 245 A HA 0.040 4.363 4.320 0.006 0.000 0.218 245 A C 2.625 180.207 177.584 -0.004 0.000 1.181 245 A CA 2.117 54.146 52.037 -0.012 0.000 0.627 245 A CB -0.784 18.200 19.000 -0.026 0.000 0.818 245 A HN 0.489 8.639 8.150 -0.000 0.000 0.445 246 G N -0.496 108.290 108.800 -0.024 0.000 2.422 246 G HA2 -0.211 3.752 3.960 0.006 0.000 0.218 246 G HA3 -0.211 3.752 3.960 0.006 0.000 0.218 246 G C 1.116 176.039 174.900 0.038 0.000 1.146 246 G CA 1.181 46.270 45.100 -0.018 0.000 0.769 246 G HN 0.494 8.784 8.290 -0.000 0.000 0.547 247 D N 0.822 121.221 120.400 -0.001 0.000 2.234 247 D HA 0.072 4.716 4.640 0.006 0.000 0.205 247 D C 2.737 179.015 176.300 -0.037 0.000 0.962 247 D CA 0.904 54.890 54.000 -0.023 0.000 0.855 247 D CB -0.178 40.604 40.800 -0.030 0.000 0.951 247 D HN 0.316 8.686 8.370 -0.000 0.000 0.500 248 A N 0.920 123.727 122.820 -0.022 0.000 1.898 248 A HA -0.067 4.256 4.320 0.006 0.000 0.216 248 A C 1.179 178.715 177.584 -0.079 0.000 1.181 248 A CA 0.283 52.285 52.037 -0.057 0.000 0.620 248 A CB -0.679 18.295 19.000 -0.043 0.000 0.819 248 A HN 0.205 8.355 8.150 -0.000 0.000 0.442 252 A N -0.030 122.645 122.820 -0.242 0.000 1.933 252 A HA 0.120 4.443 4.320 0.006 0.000 0.218 252 A C 1.998 179.493 177.584 -0.149 0.000 1.175 252 A CA 1.922 53.813 52.037 -0.243 0.000 0.628 252 A CB -0.529 18.121 19.000 -0.582 0.000 0.814 252 A HN 1.030 9.180 8.150 -0.000 0.000 0.444 253 L N -0.243 120.757 121.223 -0.372 0.000 2.027 253 L HA -0.078 4.266 4.340 0.006 0.000 0.206 253 L C 2.346 179.128 176.870 -0.148 0.000 1.074 253 L CA 1.638 56.276 54.840 -0.337 0.000 0.745 253 L CB -0.441 41.283 42.059 -0.559 0.000 0.898 253 L HN 0.410 8.640 8.230 -0.000 0.000 0.433 254 L N -2.018 119.126 121.223 -0.133 0.000 2.093 254 L HA -0.183 4.160 4.340 0.006 0.000 0.208 254 L C 2.384 179.233 176.870 -0.034 0.000 1.085 254 L CA 0.697 55.494 54.840 -0.071 0.000 0.755 254 L CB -0.606 41.412 42.059 -0.068 0.000 0.904 254 L HN 0.105 8.335 8.230 -0.000 0.000 0.435 255 V N 0.135 120.045 119.914 -0.006 0.000 2.379 255 V HA -0.146 3.978 4.120 0.006 0.000 0.245 255 V C 2.572 178.673 176.094 0.012 0.000 1.044 255 V CA 1.939 64.255 62.300 0.027 0.000 1.036 255 V CB -0.925 30.960 31.823 0.103 0.000 0.664 255 V HN 0.545 8.735 8.190 -0.000 0.000 0.453 256 G N -0.594 108.245 108.800 0.065 0.000 2.443 256 G HA2 -0.164 3.800 3.960 0.006 0.000 0.219 256 G HA3 -0.164 3.800 3.960 0.006 0.000 0.219 256 G C 1.535 176.415 174.900 -0.035 0.000 1.131 256 G CA 0.671 45.765 45.100 -0.009 0.000 0.775 256 G HN 0.491 8.781 8.290 -0.000 0.000 0.547 257 I N -0.192 120.364 120.570 -0.024 0.000 2.333 257 I HA 0.051 4.225 4.170 0.006 0.000 0.246 257 I C 2.388 178.490 176.117 -0.026 0.000 1.106 257 I CA 0.492 61.778 61.300 -0.023 0.000 1.411 257 I CB 0.025 38.012 38.000 -0.022 0.000 1.082 257 I HN 0.146 8.356 8.210 -0.000 0.000 0.420 258 L N 0.191 121.397 121.223 -0.028 0.000 2.492 258 L HA -0.028 4.315 4.340 0.006 0.000 0.223 258 L C 2.162 179.008 176.870 -0.040 0.000 1.132 258 L CA 0.988 55.811 54.840 -0.027 0.000 0.850 258 L CB -0.141 41.905 42.059 -0.022 0.000 0.966 258 L HN 0.027 8.257 8.230 -0.000 0.000 0.454 259 K N -0.434 119.930 120.400 -0.060 0.000 2.240 259 K HA 0.267 4.591 4.320 0.006 0.000 0.202 259 K C 0.918 177.468 176.600 -0.083 0.000 1.053 259 K CA 0.256 56.492 56.287 -0.084 0.000 0.973 259 K CB -0.008 32.409 32.500 -0.138 0.000 0.924 259 K HN 0.198 8.448 8.250 -0.000 0.000 0.477 260 L N 0.967 122.139 121.223 -0.085 0.000 2.456 260 L HA 0.015 4.359 4.340 0.006 0.000 0.246 260 L C 1.553 178.398 176.870 -0.041 0.000 1.238 260 L CA 0.351 55.151 54.840 -0.067 0.000 0.826 260 L CB 0.234 42.259 42.059 -0.057 0.000 1.150 260 L HN 0.046 8.276 8.230 -0.000 0.000 0.514 261 K N -0.144 120.238 120.400 -0.030 0.000 2.412 261 K HA 0.129 4.453 4.320 0.006 0.000 0.201 261 K C 1.257 177.850 176.600 -0.011 0.000 1.275 261 K CA 0.569 56.844 56.287 -0.020 0.000 0.910 261 K CB 0.262 32.751 32.500 -0.018 0.000 1.346 261 K HN 0.763 9.013 8.250 -0.000 0.000 0.490 262 G N 2.533 111.328 108.800 -0.009 0.000 3.496 262 G HA2 0.062 4.025 3.960 0.006 0.000 0.273 262 G HA3 0.062 4.025 3.960 0.006 0.000 0.273 262 G C 0.382 175.283 174.900 0.002 0.000 1.279 262 G CA -0.336 44.763 45.100 -0.002 0.000 1.041 262 G HN 0.171 8.461 8.290 -0.000 0.000 0.539 263 L N 1.804 123.028 121.223 0.000 0.000 3.875 263 L HA -0.172 4.171 4.340 0.006 0.000 0.525 263 L C -0.423 176.456 176.870 0.015 0.000 1.053 263 L CA 1.269 56.112 54.840 0.006 0.000 0.776 263 L CB -1.614 40.450 42.059 0.009 0.000 1.082 263 L HN 0.667 8.897 8.230 -0.000 0.000 0.732 264 D N 1.363 121.773 120.400 0.016 0.000 2.344 264 D HA 0.382 5.025 4.640 0.006 0.000 0.239 264 D C 1.274 177.598 176.300 0.040 0.000 1.064 264 D CA -0.875 53.140 54.000 0.025 0.000 0.829 264 D CB 0.807 41.619 40.800 0.019 0.000 1.129 264 D HN 0.359 8.729 8.370 -0.000 0.000 0.506 265 L N 2.081 123.333 121.223 0.048 0.000 2.129 265 L HA -0.142 4.201 4.340 0.006 0.000 0.212 265 L C 2.029 178.947 176.870 0.079 0.000 1.087 265 L CA 0.546 55.429 54.840 0.071 0.000 0.757 265 L CB -0.605 41.494 42.059 0.068 0.000 0.896 265 L HN 0.542 8.772 8.230 -0.000 0.000 0.434 266 L N 0.216 121.473 121.223 0.057 0.000 1.948 266 L HA -0.219 4.124 4.340 0.006 0.000 0.212 266 L C 2.602 179.518 176.870 0.078 0.000 1.074 266 L CA 1.900 56.773 54.840 0.055 0.000 0.753 266 L CB -0.507 41.576 42.059 0.040 0.000 0.888 266 L HN 0.067 8.297 8.230 -0.000 0.000 0.432 267 K N -0.767 119.674 120.400 0.069 0.000 1.987 267 K HA -0.245 4.079 4.320 0.006 0.000 0.216 267 K C 2.060 178.734 176.600 0.123 0.000 1.051 267 K CA 1.842 58.178 56.287 0.080 0.000 0.942 267 K CB -0.865 31.659 32.500 0.040 0.000 0.722 267 K HN 0.232 8.482 8.250 -0.000 0.000 0.444 268 L N 1.219 122.505 121.223 0.105 0.000 2.034 268 L HA -0.215 4.129 4.340 0.006 0.000 0.217 268 L C 2.217 179.203 176.870 0.192 0.000 1.077 268 L CA 2.371 57.290 54.840 0.132 0.000 0.769 268 L CB -1.186 40.922 42.059 0.082 0.000 0.890 268 L HN 0.352 8.582 8.230 -0.000 0.000 0.435 269 G N -1.344 107.592 108.800 0.226 0.000 2.422 269 G HA2 -0.240 3.723 3.960 0.006 0.000 0.218 269 G HA3 -0.240 3.723 3.960 0.006 0.000 0.218 269 G C 1.670 176.760 174.900 0.318 0.000 1.146 269 G CA 0.642 45.977 45.100 0.391 0.000 0.769 269 G HN 0.275 8.565 8.290 -0.000 0.000 0.547 270 K N -0.043 120.477 120.400 0.200 0.000 2.057 270 K HA 0.025 4.349 4.320 0.006 0.000 0.206 270 K C 2.079 178.817 176.600 0.229 0.000 1.050 270 K CA 0.475 56.867 56.287 0.176 0.000 0.935 270 K CB -0.675 31.935 32.500 0.183 0.000 0.715 270 K HN 0.368 8.618 8.250 -0.000 0.000 0.439 271 F N 1.821 121.814 119.950 0.073 0.000 2.102 271 F HA -0.150 4.382 4.527 0.008 0.000 0.298 271 F C 2.088 177.893 175.800 0.008 0.000 1.105 271 F CA 1.392 59.413 58.000 0.034 0.000 1.239 271 F CB -0.498 38.501 39.000 -0.002 0.000 0.991 271 F HN 0.005 8.305 8.300 -0.000 0.000 0.474 272 A N -0.039 122.715 122.820 -0.110 0.000 1.930 272 A HA -0.226 4.097 4.320 0.006 0.000 0.217 272 A C 2.216 179.772 177.584 -0.048 0.000 1.175 272 A CA 1.712 53.567 52.037 -0.303 0.000 0.627 272 A CB -1.269 17.438 19.000 -0.489 0.000 0.815 272 A HN 0.620 8.770 8.150 -0.000 0.000 0.443 273 N N -0.655 118.121 118.700 0.126 0.000 2.188 273 N HA -0.152 4.591 4.740 0.006 0.000 0.184 273 N C 1.779 177.304 175.510 0.025 0.000 1.018 273 N CA 1.277 54.389 53.050 0.103 0.000 0.858 273 N CB -0.127 38.286 38.487 -0.123 0.000 0.989 273 N HN 0.380 8.760 8.380 -0.000 0.000 0.426 274 L N 0.998 122.264 121.223 0.071 0.000 2.005 274 L HA -0.089 4.254 4.340 0.006 0.000 0.207 274 L C 2.145 178.954 176.870 -0.101 0.000 1.072 274 L CA 1.357 56.257 54.840 0.100 0.000 0.744 274 L CB -0.648 41.409 42.059 -0.002 0.000 0.895 274 L HN -0.045 8.185 8.230 -0.000 0.000 0.433 275 V N 0.297 120.056 119.914 -0.259 0.000 2.343 275 V HA -0.285 3.839 4.120 0.006 0.000 0.247 275 V C 2.805 178.823 176.094 -0.127 0.000 1.051 275 V CA 1.639 63.775 62.300 -0.274 0.000 1.036 275 V CB -1.476 30.057 31.823 -0.483 0.000 0.654 275 V HN 0.615 8.805 8.190 -0.000 0.000 0.451 276 A N -0.148 122.638 122.820 -0.058 0.000 1.930 276 A HA -0.049 4.275 4.320 0.006 0.000 0.217 276 A C 2.398 179.987 177.584 0.009 0.000 1.175 276 A CA 1.960 54.005 52.037 0.013 0.000 0.627 276 A CB -0.623 18.429 19.000 0.087 0.000 0.815 276 A HN 0.556 8.706 8.150 -0.000 0.000 0.443 277 A N -0.217 122.624 122.820 0.036 0.000 1.872 277 A HA 0.052 4.375 4.320 0.006 0.000 0.214 277 A C 2.014 179.611 177.584 0.021 0.000 1.187 277 A CA 1.302 53.377 52.037 0.063 0.000 0.614 277 A CB -0.577 18.532 19.000 0.181 0.000 0.826 277 A HN 0.438 8.588 8.150 -0.000 0.000 0.442 278 L N 0.138 121.352 121.223 -0.014 0.000 2.549 278 L HA -0.040 4.303 4.340 0.006 0.000 0.229 278 L C 1.771 178.632 176.870 -0.015 0.000 1.158 278 L CA 0.634 55.461 54.840 -0.023 0.000 0.842 278 L CB -0.152 41.873 42.059 -0.056 0.000 0.952 278 L HN 0.246 8.476 8.230 -0.000 0.000 0.452 279 S N -1.284 114.405 115.700 -0.019 0.000 2.631 279 S HA -0.003 4.471 4.470 0.006 0.000 0.217 279 S C 1.591 176.188 174.600 -0.006 0.000 0.958 279 S CA 0.416 58.607 58.200 -0.014 0.000 0.920 279 S CB 0.064 63.251 63.200 -0.021 0.000 0.776 279 S HN 0.388 8.698 8.310 -0.000 0.000 0.517 280 T N 0.983 115.536 114.554 -0.001 0.000 2.990 280 T HA 0.109 4.463 4.350 0.006 0.000 0.250 280 T C 1.754 176.456 174.700 0.004 0.000 1.041 280 T CA 0.032 62.133 62.100 0.001 0.000 1.010 280 T CB 0.173 69.044 68.868 0.006 0.000 1.003 280 T HN 0.178 8.418 8.240 -0.000 0.000 0.499 281 Q N 1.784 121.588 119.800 0.007 0.000 2.020 281 Q HA 0.139 4.482 4.340 0.006 0.000 0.198 281 Q C 0.814 176.818 176.000 0.008 0.000 0.974 281 Q CA 1.066 56.875 55.803 0.011 0.000 0.829 281 Q CB -0.136 28.612 28.738 0.017 0.000 0.894 281 Q HN 0.493 8.763 8.270 -0.000 0.000 0.433 282 K N 1.536 121.940 120.400 0.007 0.000 2.180 282 K HA 0.182 4.505 4.320 0.006 0.000 0.251 282 K C 0.428 177.025 176.600 -0.006 0.000 1.014 282 K CA -0.203 56.087 56.287 0.006 0.000 0.913 282 K CB 0.611 33.119 32.500 0.013 0.000 1.008 282 K HN 0.121 8.371 8.250 -0.000 0.000 0.490 283 R N -0.618 119.871 120.500 -0.018 0.000 2.873 283 R HA 0.727 5.071 4.340 0.006 0.000 0.264 283 R C -0.333 175.916 176.300 -0.085 0.000 1.026 283 R CA -0.642 55.431 56.100 -0.045 0.000 1.002 283 R CB 1.365 31.636 30.300 -0.048 0.000 1.174 283 R HN 0.717 8.987 8.270 -0.000 0.000 0.488 284 G N -0.750 107.970 108.800 -0.134 0.000 2.662 284 G HA2 0.024 3.988 3.960 0.006 0.000 0.686 284 G HA3 0.024 3.988 3.960 0.006 0.000 0.686 284 G C 0.418 175.251 174.900 -0.112 0.000 1.271 284 G CA -0.170 44.791 45.100 -0.230 0.000 0.816 284 G HN 0.873 9.163 8.290 -0.000 0.000 0.608 285 A N -0.403 122.335 122.820 -0.138 0.000 1.933 285 A HA 0.099 4.422 4.320 0.006 0.000 0.218 285 A C 1.066 178.780 177.584 0.216 0.000 1.175 285 A CA 2.054 54.092 52.037 0.002 0.000 0.628 285 A CB -0.244 18.729 19.000 -0.044 0.000 0.814 285 A HN 1.084 9.234 8.150 -0.000 0.000 0.444 286 W N 1.263 122.510 121.300 -0.089 0.000 1.912 286 W HA 0.443 5.105 4.660 0.004 0.000 0.399 286 W C 0.888 177.365 176.519 -0.070 0.000 0.800 286 W CA -0.364 56.937 57.345 -0.073 0.000 1.593 286 W CB -0.797 28.624 29.460 -0.066 0.000 1.769 286 W HN 0.434 8.614 8.180 -0.000 0.000 0.281 287 S N -1.365 114.409 115.700 0.124 0.000 2.557 287 S HA 0.059 4.533 4.470 0.006 0.000 0.223 287 S C 0.645 175.257 174.600 0.020 0.000 0.969 287 S CA -0.243 57.988 58.200 0.051 0.000 0.927 287 S CB -0.200 63.012 63.200 0.020 0.000 0.806 287 S HN 0.061 8.371 8.310 -0.000 0.000 0.489 288 T N 6.392 120.948 114.554 0.004 0.000 2.853 288 T HA 0.228 4.582 4.350 0.006 0.000 0.298 288 T C -2.335 172.351 174.700 -0.023 0.000 0.978 288 T CA -0.718 61.361 62.100 -0.035 0.000 1.152 288 T CB 0.547 69.371 68.868 -0.073 0.000 0.914 288 T HN 0.332 8.572 8.240 -0.000 0.000 0.539 289 P HA 0.123 4.543 4.420 -0.000 0.000 0.272 289 P C 0.061 177.361 177.300 0.001 0.000 1.223 289 P CA -0.456 62.642 63.100 -0.004 0.000 0.784 289 P CB 0.836 32.534 31.700 -0.004 0.000 0.923 290 R N 1.271 121.781 120.500 0.018 0.000 2.637 290 R HA 0.094 4.437 4.340 0.006 0.000 0.269 290 R C 1.722 178.046 176.300 0.040 0.000 1.089 290 R CA -0.409 55.703 56.100 0.020 0.000 1.177 290 R CB 0.363 30.676 30.300 0.022 0.000 1.091 290 R HN 0.555 8.825 8.270 -0.000 0.000 0.540 291 K N 1.446 121.870 120.400 0.040 0.000 2.063 291 K HA -0.212 4.112 4.320 0.006 0.000 0.208 291 K C 1.173 177.813 176.600 0.066 0.000 1.048 291 K CA 2.449 58.773 56.287 0.061 0.000 0.928 291 K CB -0.166 32.360 32.500 0.044 0.000 0.713 291 K HN 0.660 8.910 8.250 -0.000 0.000 0.442 292 D N 0.576 121.004 120.400 0.048 0.000 2.149 292 D HA -0.230 4.414 4.640 0.006 0.000 0.198 292 D C 1.149 177.485 176.300 0.060 0.000 0.990 292 D CA 1.712 55.739 54.000 0.045 0.000 0.839 292 D CB -0.412 40.406 40.800 0.030 0.000 0.948 292 D HN 0.607 8.977 8.370 -0.000 0.000 0.460 293 E N 0.010 120.252 120.200 0.069 0.000 2.494 293 E HA 0.096 4.449 4.350 0.006 0.000 0.193 293 E C 1.539 178.237 176.600 0.164 0.000 1.074 293 E CA 0.098 56.553 56.400 0.092 0.000 0.867 293 E CB -0.095 29.651 29.700 0.076 0.000 0.924 293 E HN 0.379 8.739 8.360 -0.000 0.000 0.502 294 L N -0.028 121.299 121.223 0.172 0.000 2.609 294 L HA 0.161 4.504 4.340 0.006 0.000 0.230 294 L C 1.963 179.012 176.870 0.297 0.000 1.064 294 L CA -0.062 54.942 54.840 0.274 0.000 0.873 294 L CB 0.080 42.255 42.059 0.194 0.000 1.139 294 L HN 0.162 8.392 8.230 -0.000 0.000 0.490 295 L N 1.229 122.550 121.223 0.164 0.000 2.351 295 L HA -0.197 4.146 4.340 0.006 0.000 0.220 295 L C 1.885 178.796 176.870 0.068 0.000 1.127 295 L CA 1.268 56.173 54.840 0.109 0.000 0.786 295 L CB -0.521 41.573 42.059 0.058 0.000 0.914 295 L HN 0.395 8.625 8.230 -0.000 0.000 0.443 296 K N -1.100 119.311 120.400 0.018 0.000 2.589 296 K HA 0.021 4.345 4.320 0.006 0.000 0.204 296 K C -0.851 175.544 176.600 -0.342 0.000 1.029 296 K CA 0.046 56.235 56.287 -0.163 0.000 1.177 296 K CB -0.043 32.308 32.500 -0.247 0.000 0.902 296 K HN 0.087 8.337 8.250 -0.000 0.000 0.501 297 Y N 1.219 121.540 120.300 0.035 0.000 2.354 297 Y HA 0.141 4.692 4.550 0.003 0.000 0.330 297 Y C 0.790 176.724 175.900 0.056 0.000 1.011 297 Y CA -1.330 56.797 58.100 0.045 0.000 1.099 297 Y CB 2.173 40.674 38.460 0.068 0.000 1.179 297 Y HN -0.033 8.247 8.280 -0.000 0.000 0.442 298 K N 0.222 120.727 120.400 0.175 0.000 2.057 298 K HA -0.177 4.146 4.320 0.006 0.000 0.207 298 K C 0.681 177.359 176.600 0.129 0.000 1.049 298 K CA 2.171 58.526 56.287 0.115 0.000 0.931 298 K CB 0.040 32.588 32.500 0.080 0.000 0.714 298 K HN 0.558 8.808 8.250 -0.000 0.000 0.440 299 E N 1.307 121.617 120.200 0.184 0.000 2.171 299 E HA -0.198 4.156 4.350 0.006 0.000 0.197 299 E C 2.000 178.719 176.600 0.198 0.000 0.997 299 E CA 1.721 58.236 56.400 0.192 0.000 0.810 299 E CB -0.304 29.549 29.700 0.256 0.000 0.738 299 E HN 0.560 8.920 8.360 -0.000 0.000 0.467 300 A N 0.379 123.351 122.820 0.253 0.000 1.984 300 A HA 0.036 4.359 4.320 0.006 0.000 0.214 300 A C 1.975 179.592 177.584 0.055 0.000 1.173 300 A CA 0.519 52.706 52.037 0.251 0.000 0.673 300 A CB -0.019 19.199 19.000 0.363 0.000 0.830 300 A HN 0.020 8.170 8.150 -0.000 0.000 0.453 301 R N 0.251 120.793 120.500 0.071 0.000 2.081 301 R HA -0.129 4.214 4.340 0.006 0.000 0.235 301 R C 1.974 178.252 176.300 -0.036 0.000 1.131 301 R CA 1.609 57.721 56.100 0.021 0.000 0.960 301 R CB -0.314 30.006 30.300 0.034 0.000 0.856 301 R HN 0.686 8.956 8.270 -0.000 0.000 0.436 302 E N 0.157 120.329 120.200 -0.047 0.000 2.058 302 E HA -0.174 4.179 4.350 0.006 0.000 0.194 302 E C 2.059 178.569 176.600 -0.150 0.000 0.997 302 E CA 1.587 57.942 56.400 -0.076 0.000 0.801 302 E CB -0.093 29.571 29.700 -0.060 0.000 0.746 302 E HN 0.129 8.489 8.360 -0.000 0.000 0.450 303 V N 1.664 121.409 119.914 -0.281 0.000 2.323 303 V HA -0.109 4.015 4.120 0.006 0.000 0.244 303 V C 1.618 177.530 176.094 -0.303 0.000 1.041 303 V CA 0.993 63.031 62.300 -0.438 0.000 1.025 303 V CB -0.382 30.788 31.823 -1.089 0.000 0.656 303 V HN 0.105 8.295 8.190 -0.000 0.000 0.451 304 L N 0.000 121.088 121.223 -0.225 0.000 2.949 304 L HA 0.000 4.344 4.340 0.006 0.000 0.249 304 L CA 0.000 54.780 54.840 -0.099 0.000 0.813 304 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 304 L HN 0.000 8.230 8.230 -0.000 0.000 0.502