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 1jfc_1_A DATA FIRST_RESID 5 DATA SEQUENCE APSFPFSRAS GPEPPAEFAK LRATNPVSQV KLFDGSLAWL VTKHKDVCFV DATA SEQUENCE ATSEKLSKVR TRQGFPELSA SGKQAAKAKP TFVDMDPPEH MHQRSMVEPT DATA SEQUENCE FTPEAVKNLQ PYIQRTVDDL LEQMKQKGCA NGPVDLVKEF ALPVPSYIIY DATA SEQUENCE TLLGVPFNDL EYLTQQNAIR TNGSSTAREA SAANQELLDY LAILVEQRLV DATA SEQUENCE EPKDDIISKL CTEQVKPGNI DKSDAVQIAF LLLVAGNATM VNMIALGVAT DATA SEQUENCE LAQHPDQLAQ LKANPSLAPQ FVEELCRYHT ASALAIKRTA KEDVMIGDKL DATA SEQUENCE VRANEGIIAS NQSANRDEEV FENPDEFNMN RKWPPQDPLG FGFGDHRCIA DATA SEQUENCE EHLAKAELTT VFSTLYQKFP DLKVAVPLGK INYTPLNRDV GIVDLPVIF 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 5 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 5 A C 0.000 177.604 177.584 0.034 0.000 1.274 5 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 5 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 6 P HA 0.134 4.618 4.420 0.107 0.000 0.277 6 P C -0.517 176.905 177.300 0.203 0.000 1.240 6 P CA -0.649 62.546 63.100 0.159 0.000 0.798 6 P CB 0.899 32.743 31.700 0.240 0.000 0.979 7 S N 0.468 116.276 115.700 0.181 0.000 2.549 7 S HA 0.342 5.108 4.470 0.124 -0.221 0.283 7 S C -0.630 174.099 174.600 0.216 0.000 1.320 7 S CA 1.710 60.006 58.200 0.160 0.000 1.058 7 S CB 0.550 63.813 63.200 0.106 0.000 0.882 7 S HN 0.136 8.536 8.310 0.149 0.000 0.498 8 F N 4.703 124.607 119.950 -0.077 0.000 2.565 8 F HA 0.394 4.677 4.527 -0.406 0.000 0.313 8 F C -2.919 172.799 175.800 -0.136 0.000 1.091 8 F CA -2.891 54.938 58.000 -0.285 0.000 0.915 8 F CB 4.056 42.784 39.000 -0.453 0.000 1.208 8 F HN 0.014 8.410 8.300 0.160 0.000 0.453 9 P HA 0.019 2.250 4.420 -3.648 0.000 0.272 9 P C -1.601 175.229 177.300 -0.783 0.000 1.223 9 P CA -0.765 61.369 63.100 -1.610 0.000 0.784 9 P CB 0.383 31.542 31.700 -0.903 0.000 0.923 10 F N -0.686 118.869 119.950 -0.658 0.000 2.382 10 F HA 0.071 4.461 4.527 -0.230 0.000 0.331 10 F C 1.303 176.944 175.800 -0.264 0.000 1.121 10 F CA -1.138 56.670 58.000 -0.320 0.000 1.183 10 F CB 0.625 39.441 39.000 -0.306 0.000 1.207 10 F HN -0.076 7.475 8.300 -1.248 0.000 0.555 11 S N 0.967 116.680 115.700 0.022 0.000 2.585 11 S HA 0.187 4.767 4.470 -0.048 -0.138 0.277 11 S C -0.077 174.494 174.600 -0.048 0.000 1.241 11 S CA -0.140 58.039 58.200 -0.034 0.000 1.041 11 S CB 1.576 64.754 63.200 -0.036 0.000 0.987 11 S HN 0.254 8.593 8.310 0.048 0.000 0.512 12 R N 3.680 124.151 120.500 -0.047 0.000 2.679 12 R HA -0.314 4.090 4.340 -0.046 -0.091 0.268 12 R C 0.212 176.470 176.300 -0.071 0.000 1.044 12 R CA 1.008 57.077 56.100 -0.053 0.000 1.105 12 R CB -0.047 30.221 30.300 -0.054 0.000 0.989 12 R HN 0.099 8.344 8.270 -0.043 0.000 0.447 13 A N 3.851 126.625 122.820 -0.077 0.000 1.969 13 A HA -0.139 4.132 4.320 -0.081 0.000 0.218 13 A C -0.531 177.008 177.584 -0.075 0.000 1.169 13 A CA 1.740 53.731 52.037 -0.077 0.000 0.635 13 A CB 0.579 19.537 19.000 -0.071 0.000 0.810 13 A HN 0.073 8.074 8.150 -0.071 0.106 0.445 14 S N -7.097 108.546 115.700 -0.095 0.000 2.661 14 S HA 0.060 4.471 4.470 -0.099 0.000 0.268 14 S C 0.990 175.456 174.600 -0.224 0.000 1.162 14 S CA -1.672 56.454 58.200 -0.122 0.000 0.817 14 S CB 1.198 64.337 63.200 -0.102 0.000 1.141 14 S HN -0.955 7.273 8.310 -0.100 0.022 0.477 15 G N 0.884 109.471 108.800 -0.355 0.000 2.681 15 G HA2 -0.226 3.423 3.960 -0.517 0.000 0.220 15 G HA3 -0.226 2.951 3.960 -1.305 0.000 0.220 15 G C -0.421 173.873 174.900 -1.010 0.000 1.210 15 G CA 2.767 47.364 45.100 -0.837 0.000 0.783 15 G HN 0.514 8.649 8.290 -0.258 0.000 0.609 16 P HA 0.221 4.493 4.420 -0.246 0.000 0.261 16 P C -1.021 176.271 177.300 -0.014 0.000 1.268 16 P CA -0.514 62.423 63.100 -0.272 0.000 0.833 16 P CB 0.121 31.815 31.700 -0.010 0.000 1.231 17 E N 0.019 120.160 120.200 -0.098 0.000 2.222 17 E HA 0.262 4.571 4.350 -0.069 0.000 0.272 17 E C -1.601 174.974 176.600 -0.042 0.000 0.982 17 E CA -3.049 53.313 56.400 -0.064 0.000 0.842 17 E CB 0.575 30.237 29.700 -0.064 0.000 1.144 17 E HN -0.664 7.532 8.360 -0.167 0.063 0.397 18 P HA 0.141 4.729 4.420 0.081 -0.120 0.271 18 P C -2.121 175.186 177.300 0.011 0.000 1.233 18 P CA -1.436 61.695 63.100 0.053 0.000 0.789 18 P CB -0.836 30.936 31.700 0.121 0.000 0.951 19 P HA -0.126 4.371 4.420 -0.132 -0.156 0.264 19 P C 0.509 177.697 177.300 -0.187 0.000 1.183 19 P CA 0.375 63.379 63.100 -0.160 0.000 0.763 19 P CB 0.130 31.639 31.700 -0.318 0.000 0.807 20 A N 4.360 127.064 122.820 -0.194 0.000 2.066 20 A HA -0.299 3.966 4.320 -0.091 0.000 0.218 20 A C 1.316 178.775 177.584 -0.208 0.000 1.157 20 A CA 2.585 54.529 52.037 -0.154 0.000 0.670 20 A CB -0.129 18.790 19.000 -0.136 0.000 0.804 20 A HN 0.717 8.751 8.150 -0.194 0.000 0.453 21 E N -1.497 118.454 120.200 -0.416 0.000 2.110 21 E HA -0.355 3.775 4.350 -0.366 0.000 0.193 21 E C 2.089 178.596 176.600 -0.155 0.000 0.988 21 E CA 3.134 59.250 56.400 -0.473 0.000 0.804 21 E CB -0.525 28.488 29.700 -1.144 0.000 0.745 21 E HN 0.132 8.135 8.360 -0.515 0.048 0.458 22 F N -1.522 118.441 119.950 0.022 0.000 2.146 22 F HA -0.433 4.171 4.527 0.129 0.000 0.298 22 F C 1.797 177.623 175.800 0.043 0.000 1.096 22 F CA 2.984 61.037 58.000 0.089 0.000 1.275 22 F CB -0.235 38.838 39.000 0.123 0.000 1.008 22 F HN -0.822 7.321 8.300 -0.206 0.034 0.480 23 A N -1.218 121.714 122.820 0.187 0.000 1.933 23 A HA -0.361 4.030 4.320 0.119 0.000 0.218 23 A C 1.770 179.397 177.584 0.072 0.000 1.175 23 A CA 3.050 55.151 52.037 0.107 0.000 0.628 23 A CB -0.803 18.235 19.000 0.063 0.000 0.814 23 A HN 0.128 8.373 8.150 0.159 0.000 0.444 24 K N -1.420 119.006 120.400 0.044 0.000 2.057 24 K HA -0.329 4.001 4.320 0.017 0.000 0.207 24 K C 2.479 179.107 176.600 0.047 0.000 1.049 24 K CA 3.063 59.363 56.287 0.021 0.000 0.931 24 K CB -0.211 32.276 32.500 -0.021 0.000 0.714 24 K HN -0.581 7.676 8.250 0.031 0.012 0.440 25 L N -1.510 119.764 121.223 0.085 0.000 2.046 25 L HA -0.313 4.080 4.340 0.087 0.000 0.208 25 L C 2.586 179.514 176.870 0.097 0.000 1.077 25 L CA 3.047 57.954 54.840 0.112 0.000 0.747 25 L CB -0.333 41.843 42.059 0.195 0.000 0.896 25 L HN -0.389 7.899 8.230 0.098 0.000 0.432 26 R N -1.828 118.735 120.500 0.104 0.000 2.105 26 R HA -0.309 4.070 4.340 0.065 0.000 0.239 26 R C 1.929 178.256 176.300 0.046 0.000 1.135 26 R CA 3.096 59.239 56.100 0.071 0.000 0.967 26 R CB -0.153 30.189 30.300 0.070 0.000 0.861 26 R HN -0.095 8.252 8.270 0.129 0.000 0.442 27 A N -3.833 119.012 122.820 0.042 0.000 1.929 27 A HA -0.013 4.319 4.320 0.021 0.000 0.216 27 A C 1.031 178.628 177.584 0.022 0.000 1.176 27 A CA 2.309 54.362 52.037 0.026 0.000 0.628 27 A CB 0.291 19.304 19.000 0.021 0.000 0.816 27 A HN -0.501 7.661 8.150 0.050 0.018 0.444 28 T N -7.282 107.289 114.554 0.029 0.000 2.986 28 T HA 0.081 4.442 4.350 0.018 0.000 0.264 28 T C 0.090 174.810 174.700 0.033 0.000 0.964 28 T CA -0.660 61.454 62.100 0.024 0.000 0.895 28 T CB 1.712 70.591 68.868 0.018 0.000 1.163 28 T HN -0.393 7.869 8.240 0.036 0.000 0.517 29 N N 0.417 119.145 118.700 0.047 0.000 2.805 29 N HA 0.344 5.115 4.740 0.053 0.000 0.216 29 N C -2.475 173.083 175.510 0.080 0.000 1.447 29 N CA -1.727 51.360 53.050 0.061 0.000 0.785 29 N CB 1.440 39.968 38.487 0.068 0.000 1.458 29 N HN -0.321 7.983 8.380 0.052 0.108 0.547 30 P HA -0.064 4.501 4.420 0.075 -0.100 0.222 30 P C -1.446 175.896 177.300 0.069 0.000 1.147 30 P CA 1.090 64.226 63.100 0.059 0.000 0.790 30 P CB 0.786 32.502 31.700 0.027 0.000 0.780 31 V N -2.399 117.563 119.914 0.080 0.000 2.409 31 V HA 0.435 4.817 4.120 0.129 -0.185 0.290 31 V C -1.581 174.675 176.094 0.270 0.000 1.017 31 V CA -1.408 60.965 62.300 0.120 0.000 0.841 31 V CB 1.969 33.788 31.823 -0.006 0.000 1.003 31 V HN -0.418 7.747 8.190 0.073 0.070 0.426 32 S N 6.685 122.597 115.700 0.353 0.000 2.596 32 S HA 0.354 5.060 4.470 0.393 0.000 0.270 32 S C -2.409 172.251 174.600 0.100 0.000 1.155 32 S CA -1.334 57.039 58.200 0.288 0.000 0.827 32 S CB 2.634 65.926 63.200 0.153 0.000 1.130 32 S HN 0.327 8.827 8.310 0.317 0.000 0.467 33 Q N 0.558 120.223 119.800 -0.226 0.000 2.235 33 Q HA 0.702 4.911 4.340 -0.551 -0.200 0.250 33 Q C -0.274 175.601 176.000 -0.209 0.000 0.909 33 Q CA -0.369 55.155 55.803 -0.466 0.000 0.910 33 Q CB 1.613 29.929 28.738 -0.702 0.000 1.223 33 Q HN 0.277 8.442 8.270 -0.174 0.000 0.432 34 V N -3.828 115.958 119.914 -0.213 0.000 2.960 34 V HA 0.587 4.766 4.120 -0.025 -0.074 0.315 34 V C -2.230 173.800 176.094 -0.106 0.000 1.087 34 V CA -3.328 58.911 62.300 -0.101 0.000 0.982 34 V CB 3.082 34.826 31.823 -0.131 0.000 1.039 34 V HN 0.642 8.659 8.190 -0.288 0.000 0.437 35 K N 2.255 122.642 120.400 -0.022 0.000 2.213 35 K HA 0.593 5.033 4.320 -0.071 -0.162 0.270 35 K C -0.768 175.845 176.600 0.022 0.000 1.002 35 K CA -1.538 54.732 56.287 -0.028 0.000 0.868 35 K CB 2.257 34.745 32.500 -0.020 0.000 1.093 35 K HN 0.166 8.433 8.250 0.028 0.000 0.454 36 L N 3.536 124.757 121.223 -0.003 0.000 2.448 36 L HA 0.425 5.007 4.340 0.138 -0.158 0.258 36 L C 2.238 179.114 176.870 0.011 0.000 1.104 36 L CA -1.436 53.442 54.840 0.063 0.000 0.800 36 L CB 1.031 43.123 42.059 0.055 0.000 1.241 36 L HN 0.319 8.519 8.230 -0.049 0.000 0.472 37 F N 0.740 120.694 119.950 0.007 0.000 2.250 37 F HA -0.286 4.241 4.527 -0.000 0.000 0.301 37 F C 0.005 175.807 175.800 0.002 0.000 1.077 37 F CA 2.597 60.598 58.000 0.001 0.000 1.348 37 F CB -0.240 38.759 39.000 -0.001 0.000 1.040 37 F HN 0.573 9.147 8.300 0.457 0.000 0.509 38 D N -2.103 117.605 120.400 -1.153 0.000 2.328 38 D HA -0.051 4.148 4.640 -0.735 0.000 0.221 38 D C 1.292 177.366 176.300 -0.377 0.000 1.072 38 D CA -0.799 52.678 54.000 -0.873 0.000 0.850 38 D CB -0.893 39.298 40.800 -1.015 0.000 0.922 38 D HN -0.498 7.119 8.370 -1.189 0.039 0.516 39 G N -0.191 108.455 108.800 -0.258 0.000 2.199 39 G HA2 -0.427 3.464 3.960 -0.115 0.000 0.254 39 G HA3 -0.427 3.451 3.960 -0.136 0.000 0.254 39 G C -0.089 174.731 174.900 -0.134 0.000 0.982 39 G CA 0.112 45.122 45.100 -0.150 0.000 0.632 39 G HN 0.059 8.010 8.290 -0.263 0.180 0.529 40 S N 1.551 117.156 115.700 -0.159 0.000 2.624 40 S HA 0.057 4.460 4.470 -0.111 0.000 0.263 40 S C -0.973 173.554 174.600 -0.122 0.000 1.287 40 S CA 0.616 58.741 58.200 -0.125 0.000 0.990 40 S CB 1.467 64.600 63.200 -0.112 0.000 0.950 40 S HN -0.365 8.008 8.310 -0.209 -0.188 0.561 41 L N -1.323 119.817 121.223 -0.137 0.000 2.385 41 L HA 0.741 5.152 4.340 -0.174 -0.175 0.273 41 L C -0.950 175.775 176.870 -0.240 0.000 0.990 41 L CA -0.989 53.735 54.840 -0.193 0.000 0.821 41 L CB 2.975 44.893 42.059 -0.235 0.000 1.279 41 L HN 0.113 8.267 8.230 -0.126 0.000 0.412 42 A N 0.722 123.379 122.820 -0.271 0.000 2.380 42 A HA 0.551 4.846 4.320 -0.211 -0.102 0.315 42 A C -2.230 175.152 177.584 -0.338 0.000 1.101 42 A CA -1.878 50.008 52.037 -0.252 0.000 0.771 42 A CB 3.630 22.515 19.000 -0.191 0.000 1.287 42 A HN 0.297 8.275 8.150 -0.286 0.000 0.436 43 W N -0.288 120.939 121.300 -0.122 0.000 2.311 43 W HA 0.177 4.949 4.660 -0.095 -0.168 0.310 43 W C -0.878 175.540 176.519 -0.167 0.000 1.274 43 W CA -0.351 56.927 57.345 -0.111 0.000 1.215 43 W CB 1.330 30.747 29.460 -0.073 0.000 1.227 43 W HN 0.512 8.730 8.180 0.064 0.000 0.523 44 L N 4.829 126.085 121.223 0.055 0.000 2.272 44 L HA 0.828 5.261 4.340 -0.170 -0.195 0.289 44 L C -1.739 175.155 176.870 0.039 0.000 1.032 44 L CA -1.470 53.322 54.840 -0.079 0.000 0.810 44 L CB 2.323 44.267 42.059 -0.190 0.000 1.205 44 L HN 0.972 9.262 8.230 0.099 0.000 0.422 45 V N 6.971 126.881 119.914 -0.007 0.000 2.417 45 V HA 0.441 4.719 4.120 0.027 -0.141 0.291 45 V C -0.480 175.587 176.094 -0.045 0.000 1.024 45 V CA -0.611 61.688 62.300 -0.001 0.000 0.861 45 V CB 1.695 33.516 31.823 -0.003 0.000 0.985 45 V HN 0.596 8.755 8.190 -0.053 0.000 0.436 46 T N 1.988 116.529 114.554 -0.022 0.000 2.958 46 T HA 0.261 4.527 4.350 -0.140 0.000 0.256 46 T C -0.085 174.594 174.700 -0.035 0.000 0.983 46 T CA -0.652 61.418 62.100 -0.050 0.000 0.924 46 T CB 1.351 70.250 68.868 0.052 0.000 1.136 46 T HN -0.079 8.162 8.240 0.002 0.000 0.506 47 K N 0.382 120.776 120.400 -0.011 0.000 2.143 47 K HA 0.129 4.558 4.320 0.030 -0.091 0.272 47 K C 0.321 176.932 176.600 0.017 0.000 1.001 47 K CA -1.088 55.206 56.287 0.013 0.000 0.915 47 K CB 0.996 33.501 32.500 0.008 0.000 1.047 47 K HN -0.598 7.645 8.250 -0.011 0.000 0.458 48 H N 6.700 125.741 119.070 -0.050 0.000 2.319 48 H HA -0.453 4.065 4.556 -0.063 0.000 0.297 48 H C 1.605 176.875 175.328 -0.096 0.000 1.097 48 H CA 5.110 61.117 56.048 -0.069 0.000 1.285 48 H CB 0.730 30.452 29.762 -0.067 0.000 1.368 48 H HN 0.303 8.997 8.280 0.153 -0.322 0.495 49 K N -3.159 117.300 120.400 0.098 0.000 2.097 49 K HA -0.331 4.034 4.320 0.075 0.000 0.206 49 K C 1.977 178.579 176.600 0.003 0.000 1.049 49 K CA 3.451 59.766 56.287 0.047 0.000 0.933 49 K CB -0.761 31.757 32.500 0.029 0.000 0.717 49 K HN 0.268 8.585 8.250 0.112 0.000 0.442 50 D N 0.381 120.774 120.400 -0.012 0.000 2.194 50 D HA -0.105 4.559 4.640 0.039 0.000 0.204 50 D C 2.324 178.645 176.300 0.035 0.000 0.964 50 D CA 2.707 56.715 54.000 0.012 0.000 0.846 50 D CB -0.398 40.384 40.800 -0.030 0.000 0.962 50 D HN -0.763 7.580 8.370 -0.015 0.017 0.490 51 V N 0.785 120.661 119.914 -0.065 0.000 2.343 51 V HA -0.534 3.555 4.120 -0.052 0.000 0.247 51 V C 1.528 177.549 176.094 -0.122 0.000 1.051 51 V CA 3.775 66.012 62.300 -0.105 0.000 1.036 51 V CB -0.804 30.912 31.823 -0.179 0.000 0.654 51 V HN 0.065 8.202 8.190 -0.088 0.000 0.451 52 C N -0.561 118.588 119.300 -0.251 0.000 2.429 52 C HA -0.343 3.925 4.460 -0.320 0.000 0.277 52 C C 2.055 177.084 174.990 0.065 0.000 1.262 52 C CA 4.780 63.641 59.018 -0.261 0.000 1.733 52 C CB -1.999 25.428 27.740 -0.522 0.000 2.010 52 C HN -0.270 7.772 8.230 -0.313 0.000 0.483 53 F N 1.254 121.181 119.950 -0.037 0.000 2.095 53 F HA -0.357 4.194 4.527 0.039 0.000 0.298 53 F C 1.575 177.384 175.800 0.014 0.000 1.104 53 F CA 3.518 61.521 58.000 0.006 0.000 1.232 53 F CB 0.241 39.227 39.000 -0.024 0.000 0.987 53 F HN -0.649 7.762 8.300 0.186 0.000 0.475 54 V N -1.184 118.764 119.914 0.057 0.000 2.332 54 V HA -0.587 3.470 4.120 -0.105 0.000 0.248 54 V C 1.791 177.838 176.094 -0.078 0.000 1.055 54 V CA 3.646 65.925 62.300 -0.035 0.000 1.038 54 V CB -0.821 31.027 31.823 0.042 0.000 0.651 54 V HN -0.262 8.040 8.190 0.188 0.000 0.450 55 A N -4.206 118.616 122.820 0.003 0.000 2.019 55 A HA -0.213 4.132 4.320 0.041 0.000 0.219 55 A C 1.197 178.809 177.584 0.047 0.000 1.164 55 A CA 2.683 54.760 52.037 0.068 0.000 0.644 55 A CB 0.026 19.153 19.000 0.212 0.000 0.805 55 A HN -0.403 7.762 8.150 0.024 0.000 0.449 56 T N -7.395 107.150 114.554 -0.015 0.000 2.985 56 T HA -0.017 4.321 4.350 -0.020 0.000 0.254 56 T C 0.814 175.414 174.700 -0.167 0.000 1.021 56 T CA -0.769 61.302 62.100 -0.049 0.000 0.957 56 T CB 0.910 69.788 68.868 0.017 0.000 1.047 56 T HN -0.713 7.346 8.240 -0.054 0.148 0.511 57 S N 2.577 118.072 115.700 -0.343 0.000 2.516 57 S HA -0.100 4.140 4.470 -0.383 0.000 0.282 57 S C 1.464 175.955 174.600 -0.182 0.000 1.286 57 S CA -0.118 57.844 58.200 -0.397 0.000 1.066 57 S CB 1.030 63.816 63.200 -0.690 0.000 0.884 57 S HN -0.629 7.445 8.310 -0.394 0.000 0.491 58 E N 7.890 128.021 120.200 -0.115 0.000 2.511 58 E HA -0.164 4.162 4.350 -0.040 0.000 0.196 58 E C 0.511 177.091 176.600 -0.034 0.000 1.066 58 E CA 1.461 57.831 56.400 -0.051 0.000 0.871 58 E CB -0.291 29.392 29.700 -0.029 0.000 0.863 58 E HN 0.570 8.857 8.360 -0.121 0.000 0.520 59 K N -2.671 117.701 120.400 -0.047 0.000 2.444 59 K HA -0.078 4.242 4.320 0.000 0.000 0.193 59 K C -1.401 175.196 176.600 -0.006 0.000 1.024 59 K CA 0.368 56.647 56.287 -0.013 0.000 1.077 59 K CB 0.332 32.836 32.500 0.007 0.000 0.833 59 K HN -0.579 7.558 8.250 -0.081 0.064 0.517 60 L N -2.920 118.288 121.223 -0.025 0.000 2.342 60 L HA 0.653 5.148 4.340 0.015 -0.146 0.271 60 L C -1.118 175.760 176.870 0.014 0.000 1.008 60 L CA -1.463 53.374 54.840 -0.005 0.000 0.818 60 L CB 2.904 44.944 42.059 -0.033 0.000 1.296 60 L HN -0.825 7.298 8.230 -0.047 0.079 0.427 61 S N -1.344 114.384 115.700 0.045 0.000 2.536 61 S HA 0.339 5.049 4.470 0.043 -0.213 0.298 61 S C -0.322 174.336 174.600 0.097 0.000 1.083 61 S CA -1.909 56.327 58.200 0.060 0.000 0.995 61 S CB 2.622 65.863 63.200 0.068 0.000 1.058 61 S HN 0.336 8.680 8.310 0.058 0.000 0.488 62 K N 5.490 125.917 120.400 0.045 0.000 2.404 62 K HA 0.148 4.575 4.320 0.180 0.000 0.194 62 K C -0.537 176.012 176.600 -0.085 0.000 1.023 62 K CA -0.317 55.988 56.287 0.029 0.000 1.094 62 K CB 0.586 32.993 32.500 -0.155 0.000 0.841 62 K HN 0.158 8.762 8.250 0.024 -0.339 0.523 63 V N 0.596 120.480 119.914 -0.050 0.000 2.529 63 V HA -0.182 3.994 4.120 -0.145 -0.144 0.292 63 V C 1.369 177.300 176.094 -0.272 0.000 1.028 63 V CA 0.837 63.062 62.300 -0.124 0.000 1.074 63 V CB 0.051 31.854 31.823 -0.032 0.000 0.958 63 V HN -0.543 7.592 8.190 0.012 0.062 0.481 64 R N 5.441 125.683 120.500 -0.431 0.000 2.299 64 R HA -0.113 3.566 4.340 -1.102 0.000 0.197 64 R C 0.726 176.889 176.300 -0.227 0.000 0.971 64 R CA 2.283 57.996 56.100 -0.646 0.000 1.030 64 R CB 0.019 29.915 30.300 -0.673 0.000 0.932 64 R HN 0.661 8.731 8.270 -0.335 0.000 0.477 65 T N -7.509 106.974 114.554 -0.117 0.000 3.148 65 T HA -0.073 4.263 4.350 -0.024 0.000 0.253 65 T C 0.373 175.079 174.700 0.010 0.000 1.134 65 T CA -0.449 61.631 62.100 -0.034 0.000 1.051 65 T CB -0.174 68.679 68.868 -0.024 0.000 0.959 65 T HN -0.292 7.825 8.240 -0.127 0.047 0.525 66 R N 2.661 123.177 120.500 0.028 0.000 2.347 66 R HA -0.020 4.354 4.340 0.055 0.000 0.304 66 R C -0.844 175.524 176.300 0.112 0.000 1.072 66 R CA -0.442 55.702 56.100 0.074 0.000 0.980 66 R CB 0.525 30.882 30.300 0.096 0.000 0.986 66 R HN -0.826 7.384 8.270 -0.001 0.059 0.448 67 Q N 4.658 124.507 119.800 0.082 0.000 2.300 67 Q HA -0.317 4.075 4.340 0.086 0.000 0.280 67 Q C 0.762 176.817 176.000 0.092 0.000 1.033 67 Q CA 1.799 57.650 55.803 0.079 0.000 0.903 67 Q CB 0.567 29.336 28.738 0.051 0.000 1.195 67 Q HN 0.514 8.823 8.270 0.064 0.000 0.386 68 G N 3.674 112.529 108.800 0.091 0.000 2.218 68 G HA2 -0.384 3.600 3.960 0.040 0.000 0.216 68 G HA3 -0.384 3.803 3.960 0.068 -0.186 0.216 68 G C -1.399 173.546 174.900 0.075 0.000 0.994 68 G CA -0.200 44.941 45.100 0.070 0.000 0.637 68 G HN 0.356 8.699 8.290 0.089 0.000 0.505 69 F N 4.006 123.972 119.950 0.026 0.000 2.578 69 F HA 0.023 4.566 4.527 0.027 0.000 0.376 69 F C -1.696 174.127 175.800 0.038 0.000 1.085 69 F CA -1.861 56.156 58.000 0.029 0.000 1.260 69 F CB 1.269 40.284 39.000 0.025 0.000 1.095 69 F HN -0.740 7.663 8.300 0.272 0.060 0.573 70 P HA 0.155 4.494 4.420 -0.136 0.000 0.247 70 P C -1.444 175.781 177.300 -0.126 0.000 1.756 70 P CA -0.920 61.989 63.100 -0.318 0.000 1.117 70 P CB -0.753 30.733 31.700 -0.356 0.000 1.869 71 E N 3.478 123.784 120.200 0.177 0.000 2.344 71 E HA -0.059 4.467 4.350 0.293 0.000 0.270 71 E C -0.289 176.489 176.600 0.296 0.000 1.021 71 E CA 0.454 57.029 56.400 0.291 0.000 0.887 71 E CB 0.214 30.122 29.700 0.346 0.000 0.997 71 E HN -0.293 8.143 8.360 0.207 0.048 0.429 72 L N 0.733 122.063 121.223 0.179 0.000 2.585 72 L HA 0.173 4.669 4.340 0.260 0.000 0.226 72 L C -0.295 176.517 176.870 -0.096 0.000 1.113 72 L CA 0.197 55.122 54.840 0.142 0.000 0.876 72 L CB 0.658 42.759 42.059 0.069 0.000 1.072 72 L HN 0.117 8.428 8.230 0.133 0.000 0.468 73 S N -4.034 111.416 115.700 -0.417 0.000 2.596 73 S HA 0.161 3.781 4.470 -1.416 0.000 0.270 73 S C -0.659 173.287 174.600 -1.089 0.000 1.155 73 S CA -1.321 56.310 58.200 -0.949 0.000 0.827 73 S CB 2.960 65.909 63.200 -0.419 0.000 1.130 73 S HN -0.962 7.225 8.310 -0.206 0.000 0.467 74 A N 1.399 123.578 122.820 -1.067 0.000 1.908 74 A HA -0.154 4.072 4.320 -0.157 0.000 0.218 74 A C 1.860 179.353 177.584 -0.152 0.000 1.181 74 A CA 3.001 54.824 52.037 -0.357 0.000 0.627 74 A CB -0.834 18.083 19.000 -0.138 0.000 0.818 74 A HN 0.503 8.007 8.150 -1.078 0.000 0.445 75 S N -2.974 112.625 115.700 -0.168 0.000 2.402 75 S HA -0.219 4.222 4.470 -0.048 0.000 0.229 75 S C 2.412 176.984 174.600 -0.046 0.000 1.021 75 S CA 2.290 60.444 58.200 -0.077 0.000 0.974 75 S CB -0.505 62.654 63.200 -0.069 0.000 0.800 75 S HN -0.022 8.151 8.310 -0.227 0.000 0.484 76 G N 1.648 110.414 108.800 -0.057 0.000 2.402 76 G HA2 -0.288 3.677 3.960 0.009 0.000 0.216 76 G HA3 -0.288 3.681 3.960 0.015 0.000 0.216 76 G C 0.871 175.801 174.900 0.050 0.000 1.162 76 G CA 1.485 46.589 45.100 0.005 0.000 0.777 76 G HN -0.571 7.624 8.290 -0.117 0.025 0.539 77 K N 0.405 120.849 120.400 0.074 0.000 2.097 77 K HA -0.371 4.028 4.320 0.132 0.000 0.206 77 K C 1.612 178.252 176.600 0.067 0.000 1.049 77 K CA 2.867 59.225 56.287 0.118 0.000 0.933 77 K CB -0.126 32.502 32.500 0.213 0.000 0.717 77 K HN -0.747 7.529 8.250 0.043 0.000 0.442 78 Q N -3.072 116.754 119.800 0.042 0.000 2.123 78 Q HA -0.128 4.232 4.340 0.033 0.000 0.199 78 Q C 2.509 178.520 176.000 0.017 0.000 0.966 78 Q CA 2.117 57.937 55.803 0.028 0.000 0.845 78 Q CB 0.342 29.092 28.738 0.020 0.000 0.907 78 Q HN -0.753 7.536 8.270 0.033 0.000 0.439 79 A N -0.871 121.957 122.820 0.013 0.000 2.019 79 A HA -0.192 4.133 4.320 0.009 0.000 0.219 79 A C 1.849 179.429 177.584 -0.006 0.000 1.164 79 A CA 2.515 54.556 52.037 0.007 0.000 0.644 79 A CB -0.765 18.240 19.000 0.008 0.000 0.805 79 A HN -0.309 7.849 8.150 0.014 0.000 0.449 80 A N -4.104 118.710 122.820 -0.010 0.000 2.172 80 A HA -0.198 4.080 4.320 -0.071 0.000 0.216 80 A C 0.826 178.392 177.584 -0.031 0.000 1.154 80 A CA 1.716 53.727 52.037 -0.042 0.000 0.701 80 A CB -0.574 18.400 19.000 -0.044 0.000 0.789 80 A HN -0.619 7.496 8.150 0.006 0.039 0.465 81 K N -3.716 116.678 120.400 -0.009 0.000 2.296 81 K HA -0.099 4.217 4.320 -0.006 0.000 0.200 81 K C 0.132 176.728 176.600 -0.007 0.000 1.048 81 K CA 0.609 56.893 56.287 -0.005 0.000 0.966 81 K CB 0.216 32.719 32.500 0.005 0.000 0.754 81 K HN -0.516 7.661 8.250 -0.002 0.072 0.466 82 A N 0.085 122.900 122.820 -0.008 0.000 2.296 82 A HA 0.081 4.399 4.320 -0.003 0.000 0.264 82 A C -0.931 176.650 177.584 -0.006 0.000 1.097 82 A CA -0.275 51.759 52.037 -0.005 0.000 0.811 82 A CB 0.566 19.566 19.000 -0.001 0.000 1.072 82 A HN -0.790 7.311 8.150 -0.010 0.043 0.495 83 K N 1.222 121.624 120.400 0.002 0.000 2.472 83 K HA -0.017 4.307 4.320 0.007 0.000 0.280 83 K C -1.339 175.267 176.600 0.010 0.000 1.028 83 K CA -1.199 55.093 56.287 0.009 0.000 1.045 83 K CB 0.006 32.516 32.500 0.017 0.000 0.902 83 K HN 0.108 8.360 8.250 0.003 0.000 0.478 84 P HA 0.146 4.561 4.420 -0.009 0.000 0.277 84 P C -0.854 176.468 177.300 0.037 0.000 1.240 84 P CA -0.454 62.651 63.100 0.008 0.000 0.798 84 P CB 0.793 32.495 31.700 0.003 0.000 0.979 85 T N -3.906 110.660 114.554 0.019 0.000 2.910 85 T HA 0.255 4.737 4.350 0.092 -0.077 0.279 85 T C 1.589 176.326 174.700 0.061 0.000 0.989 85 T CA -2.203 59.915 62.100 0.030 0.000 0.968 85 T CB 2.675 71.509 68.868 -0.055 0.000 1.135 85 T HN -0.577 7.657 8.240 -0.009 0.000 0.562 86 F N -2.156 117.858 119.950 0.106 0.000 2.269 86 F HA -0.022 4.623 4.527 0.197 0.000 0.301 86 F C 1.450 177.427 175.800 0.295 0.000 1.082 86 F CA 1.894 60.003 58.000 0.182 0.000 1.360 86 F CB -0.918 38.137 39.000 0.092 0.000 1.041 86 F HN 0.052 8.573 8.300 0.108 -0.156 0.512 87 V N 2.436 122.286 119.914 -0.106 0.000 2.453 87 V HA -0.403 3.855 4.120 0.231 0.000 0.252 87 V C -0.047 176.096 176.094 0.081 0.000 1.068 87 V CA 2.711 65.028 62.300 0.027 0.000 1.070 87 V CB -0.405 31.311 31.823 -0.178 0.000 0.664 87 V HN -0.250 7.602 8.190 -0.518 0.028 0.461 88 D N -3.251 117.178 120.400 0.048 0.000 2.402 88 D HA 0.226 4.816 4.640 -0.084 0.000 0.216 88 D C -1.538 174.790 176.300 0.046 0.000 1.128 88 D CA -0.385 53.600 54.000 -0.025 0.000 0.833 88 D CB 0.073 40.816 40.800 -0.094 0.000 0.971 88 D HN -0.456 7.906 8.370 0.047 0.037 0.503 89 M N -1.313 118.410 119.600 0.205 0.000 2.409 89 M HA 0.015 4.577 4.480 0.137 0.000 0.329 89 M C -1.883 174.560 176.300 0.239 0.000 1.180 89 M CA 0.511 55.942 55.300 0.219 0.000 1.053 89 M CB 1.842 34.617 32.600 0.292 0.000 1.586 89 M HN -0.666 7.639 8.290 0.312 0.172 0.461 90 D N 0.143 120.642 120.400 0.166 0.000 2.385 90 D HA 0.460 5.193 4.640 0.156 0.000 0.254 90 D C -1.805 174.584 176.300 0.148 0.000 1.053 90 D CA -2.350 51.734 54.000 0.141 0.000 0.992 90 D CB 0.443 41.294 40.800 0.085 0.000 1.145 90 D HN -0.037 8.413 8.370 0.133 0.000 0.523 91 P HA 0.145 4.640 4.420 0.125 0.000 0.269 91 P C -1.400 175.941 177.300 0.068 0.000 1.209 91 P CA -0.912 62.247 63.100 0.097 0.000 0.776 91 P CB -0.308 31.431 31.700 0.065 0.000 0.876 92 P HA 0.143 4.599 4.420 0.061 0.000 0.261 92 P C 0.683 178.034 177.300 0.085 0.000 1.268 92 P CA 0.806 63.939 63.100 0.055 0.000 0.833 92 P CB 0.943 32.654 31.700 0.019 0.000 1.231 93 E N 0.507 120.767 120.200 0.100 0.000 2.110 93 E HA -0.398 4.031 4.350 0.132 0.000 0.193 93 E C 1.076 177.788 176.600 0.186 0.000 0.988 93 E CA 3.455 59.938 56.400 0.139 0.000 0.804 93 E CB -0.965 28.811 29.700 0.125 0.000 0.745 93 E HN -0.010 8.342 8.360 0.088 0.061 0.458 94 H N 0.788 119.909 119.070 0.083 0.000 2.251 94 H HA -0.330 4.306 4.556 0.132 0.000 0.294 94 H C 1.801 177.110 175.328 -0.032 0.000 1.078 94 H CA 4.019 60.100 56.048 0.055 0.000 1.246 94 H CB 0.396 30.145 29.762 -0.022 0.000 1.358 94 H HN -0.351 8.060 8.280 0.258 0.024 0.488 95 M N -2.572 116.870 119.600 -0.263 0.000 2.319 95 M HA -0.201 3.911 4.480 -0.615 0.000 0.265 95 M C 1.634 177.814 176.300 -0.200 0.000 1.068 95 M CA 0.765 55.850 55.300 -0.359 0.000 1.118 95 M CB -0.940 31.538 32.600 -0.203 0.000 1.395 95 M HN 0.168 8.431 8.290 -0.046 0.000 0.435 96 H N 1.531 120.519 119.070 -0.136 0.000 2.352 96 H HA -0.340 4.163 4.556 -0.088 0.000 0.299 96 H C 1.523 176.786 175.328 -0.108 0.000 1.097 96 H CA 3.617 59.611 56.048 -0.090 0.000 1.311 96 H CB 0.154 29.894 29.762 -0.036 0.000 1.377 96 H HN -0.529 7.800 8.280 0.081 0.000 0.504 97 Q N -2.658 117.032 119.800 -0.183 0.000 2.123 97 Q HA -0.195 3.985 4.340 -0.266 0.000 0.196 97 Q C 2.458 178.221 176.000 -0.395 0.000 0.958 97 Q CA 2.093 57.776 55.803 -0.200 0.000 0.841 97 Q CB 0.422 29.200 28.738 0.066 0.000 0.915 97 Q HN -0.568 7.675 8.270 -0.044 0.000 0.455 98 R N 0.514 120.593 120.500 -0.702 0.000 2.105 98 R HA -0.357 2.890 4.340 -1.823 0.000 0.239 98 R C 2.107 178.032 176.300 -0.625 0.000 1.135 98 R CA 3.484 58.866 56.100 -1.195 0.000 0.967 98 R CB -0.006 29.495 30.300 -1.331 0.000 0.861 98 R HN 0.051 7.961 8.270 -0.601 0.000 0.442 99 S N -1.582 113.863 115.700 -0.424 0.000 2.469 99 S HA -0.110 4.218 4.470 -0.236 0.000 0.238 99 S C 1.223 175.702 174.600 -0.201 0.000 0.998 99 S CA 2.408 60.450 58.200 -0.263 0.000 0.957 99 S CB -0.488 62.589 63.200 -0.205 0.000 0.764 99 S HN -0.292 7.745 8.310 -0.429 0.016 0.514 100 M N -0.590 118.875 119.600 -0.225 0.000 2.279 100 M HA -0.215 4.188 4.480 -0.128 0.000 0.264 100 M C 0.785 177.045 176.300 -0.068 0.000 1.062 100 M CA 3.315 58.531 55.300 -0.141 0.000 1.099 100 M CB 0.761 33.281 32.600 -0.134 0.000 1.394 100 M HN -0.580 7.383 8.290 -0.286 0.155 0.426 101 V N -10.249 109.627 119.914 -0.063 0.000 3.502 101 V HA 0.286 4.453 4.120 0.078 0.000 0.288 101 V C 0.675 176.867 176.094 0.164 0.000 1.461 101 V CA -0.938 61.406 62.300 0.073 0.000 1.029 101 V CB 1.026 32.948 31.823 0.165 0.000 0.843 101 V HN -0.606 7.457 8.190 -0.148 0.038 0.438 102 E N 2.344 122.569 120.200 0.042 0.000 2.268 102 E HA -0.110 4.431 4.350 0.319 0.000 0.195 102 E C -0.656 176.039 176.600 0.158 0.000 0.995 102 E CA 3.557 60.041 56.400 0.140 0.000 0.836 102 E CB -1.508 28.163 29.700 -0.047 0.000 0.763 102 E HN -0.463 7.854 8.360 -0.072 0.000 0.491 103 P HA -0.246 4.177 4.420 0.004 0.000 0.217 103 P C 1.680 178.958 177.300 -0.037 0.000 1.151 103 P CA 2.964 66.067 63.100 0.005 0.000 0.849 103 P CB -0.382 31.303 31.700 -0.024 0.000 0.787 104 T N -1.018 113.459 114.554 -0.127 0.000 2.962 104 T HA -0.289 3.909 4.350 -0.254 0.000 0.270 104 T C 0.045 174.494 174.700 -0.418 0.000 1.088 104 T CA 3.475 65.353 62.100 -0.370 0.000 1.127 104 T CB 0.101 68.585 68.868 -0.641 0.000 0.883 104 T HN -0.674 7.499 8.240 -0.077 0.021 0.493 105 F N -4.283 115.683 119.950 0.025 0.000 2.678 105 F HA 0.210 4.774 4.527 0.062 0.000 0.305 105 F C -0.545 175.309 175.800 0.091 0.000 1.090 105 F CA -0.293 57.740 58.000 0.056 0.000 1.272 105 F CB 1.081 40.111 39.000 0.049 0.000 1.060 105 F HN -0.311 7.879 8.300 0.116 0.180 0.576 106 T N -0.904 113.744 114.554 0.157 0.000 2.856 106 T HA 0.146 4.573 4.350 0.128 0.000 0.306 106 T C -0.808 173.881 174.700 -0.018 0.000 1.062 106 T CA -2.086 60.061 62.100 0.078 0.000 1.083 106 T CB 0.787 69.659 68.868 0.007 0.000 0.984 106 T HN -1.068 7.231 8.240 0.098 0.000 0.542 107 P HA -0.277 3.921 4.420 -0.371 0.000 0.216 107 P C 1.698 178.918 177.300 -0.133 0.000 1.153 107 P CA 3.181 66.085 63.100 -0.326 0.000 0.858 107 P CB 0.079 31.504 31.700 -0.458 0.000 0.789 108 E N -3.222 116.919 120.200 -0.097 0.000 2.072 108 E HA -0.339 3.977 4.350 -0.057 0.000 0.191 108 E C 1.648 178.225 176.600 -0.039 0.000 0.985 108 E CA 2.971 59.336 56.400 -0.059 0.000 0.801 108 E CB -0.407 29.263 29.700 -0.050 0.000 0.750 108 E HN 0.223 8.510 8.360 -0.103 0.011 0.452 109 A N -0.049 122.749 122.820 -0.036 0.000 1.908 109 A HA -0.234 4.064 4.320 -0.037 0.000 0.218 109 A C 2.405 179.977 177.584 -0.020 0.000 1.181 109 A CA 3.233 55.249 52.037 -0.036 0.000 0.627 109 A CB -0.650 18.318 19.000 -0.053 0.000 0.818 109 A HN -0.374 7.753 8.150 -0.038 0.000 0.445 110 V N -2.642 117.272 119.914 0.000 0.000 2.427 110 V HA -0.462 3.678 4.120 0.033 0.000 0.248 110 V C 1.746 177.856 176.094 0.027 0.000 1.051 110 V CA 3.652 65.971 62.300 0.032 0.000 1.048 110 V CB -0.924 30.948 31.823 0.081 0.000 0.666 110 V HN -0.117 8.072 8.190 -0.001 0.000 0.456 111 K N -1.789 118.614 120.400 0.004 0.000 2.063 111 K HA -0.328 4.000 4.320 0.013 0.000 0.208 111 K C 3.004 179.612 176.600 0.013 0.000 1.048 111 K CA 2.973 59.263 56.287 0.005 0.000 0.928 111 K CB -0.467 32.026 32.500 -0.013 0.000 0.713 111 K HN -0.314 7.929 8.250 -0.012 0.000 0.442 112 N N -1.490 117.213 118.700 0.005 0.000 2.396 112 N HA -0.235 4.512 4.740 0.011 0.000 0.180 112 N C 0.895 176.423 175.510 0.029 0.000 1.028 112 N CA 1.492 54.548 53.050 0.009 0.000 0.893 112 N CB -0.320 38.163 38.487 -0.007 0.000 0.967 112 N HN -0.331 8.047 8.380 -0.004 0.000 0.440 113 L N -2.004 119.246 121.223 0.044 0.000 2.554 113 L HA 0.011 4.415 4.340 0.107 0.000 0.226 113 L C 0.995 177.940 176.870 0.126 0.000 1.137 113 L CA 0.161 55.061 54.840 0.100 0.000 0.863 113 L CB 0.335 42.453 42.059 0.098 0.000 0.985 113 L HN -0.434 7.668 8.230 0.032 0.147 0.451 114 Q N 1.196 121.042 119.800 0.076 0.000 2.077 114 Q HA -0.234 4.141 4.340 0.058 0.000 0.206 114 Q C -0.651 175.382 176.000 0.056 0.000 0.989 114 Q CA 4.815 60.653 55.803 0.059 0.000 0.853 114 Q CB -2.373 26.389 28.738 0.041 0.000 0.907 114 Q HN -0.383 7.751 8.270 0.059 0.172 0.418 115 P HA -0.198 4.243 4.420 0.036 0.000 0.217 115 P C 1.188 178.536 177.300 0.079 0.000 1.150 115 P CA 2.873 66.008 63.100 0.059 0.000 0.832 115 P CB -0.587 31.148 31.700 0.059 0.000 0.787 116 Y N -1.044 119.267 120.300 0.018 0.000 2.181 116 Y HA -0.339 4.229 4.550 0.031 0.000 0.288 116 Y C 1.510 177.435 175.900 0.042 0.000 1.146 116 Y CA 3.023 61.141 58.100 0.030 0.000 1.164 116 Y CB -0.230 38.246 38.460 0.026 0.000 0.982 116 Y HN -0.900 7.519 8.280 0.232 0.000 0.515 117 I N -0.839 119.608 120.570 -0.204 0.000 2.163 117 I HA -0.689 3.212 4.170 -0.448 0.000 0.243 117 I C 1.830 177.831 176.117 -0.193 0.000 1.085 117 I CA 4.340 65.486 61.300 -0.257 0.000 1.347 117 I CB -0.506 37.460 38.000 -0.057 0.000 1.044 117 I HN -0.222 8.000 8.210 0.021 0.000 0.408 118 Q N -0.556 119.187 119.800 -0.095 0.000 2.050 118 Q HA -0.403 3.907 4.340 -0.050 0.000 0.202 118 Q C 1.698 177.655 176.000 -0.072 0.000 0.980 118 Q CA 3.290 59.058 55.803 -0.059 0.000 0.840 118 Q CB -0.399 28.326 28.738 -0.022 0.000 0.898 118 Q HN -0.043 8.190 8.270 -0.061 0.000 0.424 119 R N -0.804 119.648 120.500 -0.081 0.000 2.081 119 R HA -0.309 4.014 4.340 -0.029 0.000 0.235 119 R C 2.288 178.549 176.300 -0.066 0.000 1.131 119 R CA 3.479 59.548 56.100 -0.052 0.000 0.960 119 R CB -0.228 30.069 30.300 -0.006 0.000 0.856 119 R HN -0.257 7.964 8.270 -0.082 0.000 0.436 120 T N 2.463 116.908 114.554 -0.181 0.000 2.708 120 T HA -0.336 4.004 4.350 -0.017 0.000 0.266 120 T C 1.857 176.523 174.700 -0.055 0.000 1.037 120 T CA 5.022 67.045 62.100 -0.128 0.000 1.146 120 T CB -0.105 68.569 68.868 -0.324 0.000 0.865 120 T HN -0.306 7.752 8.240 -0.302 0.000 0.435 121 V N 1.772 121.643 119.914 -0.072 0.000 2.295 121 V HA -0.509 3.638 4.120 0.045 0.000 0.246 121 V C 1.704 177.833 176.094 0.058 0.000 1.049 121 V CA 4.305 66.618 62.300 0.023 0.000 1.024 121 V CB -0.822 31.010 31.823 0.015 0.000 0.648 121 V HN -0.389 7.732 8.190 -0.116 0.000 0.447 122 D N 0.236 120.632 120.400 -0.006 0.000 2.104 122 D HA -0.328 4.273 4.640 -0.065 0.000 0.194 122 D C 2.544 178.837 176.300 -0.012 0.000 0.994 122 D CA 3.675 57.655 54.000 -0.034 0.000 0.830 122 D CB -0.749 40.026 40.800 -0.041 0.000 0.959 122 D HN 0.029 8.385 8.370 -0.024 0.000 0.452 123 D N -0.051 120.364 120.400 0.026 0.000 2.117 123 D HA -0.178 4.489 4.640 0.044 0.000 0.198 123 D C 2.421 178.768 176.300 0.078 0.000 0.982 123 D CA 3.198 57.236 54.000 0.062 0.000 0.828 123 D CB -0.305 40.564 40.800 0.115 0.000 0.967 123 D HN -0.288 8.097 8.370 0.024 0.000 0.464 124 L N -0.804 120.474 121.223 0.092 0.000 2.093 124 L HA -0.318 4.081 4.340 0.098 0.000 0.208 124 L C 2.145 179.083 176.870 0.114 0.000 1.085 124 L CA 3.036 57.944 54.840 0.114 0.000 0.755 124 L CB -0.034 42.081 42.059 0.093 0.000 0.904 124 L HN -0.599 7.682 8.230 0.085 0.000 0.435 125 L N -1.701 119.556 121.223 0.056 0.000 2.046 125 L HA -0.491 3.773 4.340 -0.126 0.000 0.208 125 L C 2.264 179.085 176.870 -0.081 0.000 1.077 125 L CA 3.319 58.092 54.840 -0.112 0.000 0.747 125 L CB -0.560 41.322 42.059 -0.295 0.000 0.896 125 L HN -0.148 8.132 8.230 0.083 0.000 0.432 126 E N -1.160 119.004 120.200 -0.060 0.000 2.106 126 E HA -0.359 3.951 4.350 -0.067 0.000 0.192 126 E C 2.294 178.913 176.600 0.032 0.000 0.984 126 E CA 2.926 59.306 56.400 -0.033 0.000 0.806 126 E CB -0.575 29.110 29.700 -0.025 0.000 0.750 126 E HN -0.267 8.065 8.360 -0.047 0.000 0.458 127 Q N -1.028 118.803 119.800 0.053 0.000 2.084 127 Q HA -0.297 4.088 4.340 0.074 0.000 0.202 127 Q C 2.789 178.835 176.000 0.076 0.000 0.978 127 Q CA 2.539 58.385 55.803 0.073 0.000 0.844 127 Q CB -0.543 28.247 28.738 0.087 0.000 0.898 127 Q HN -0.393 7.908 8.270 0.052 0.000 0.426 128 M N -0.662 118.973 119.600 0.059 0.000 2.082 128 M HA -0.510 3.999 4.480 0.048 0.000 0.258 128 M C 2.036 178.397 176.300 0.102 0.000 1.069 128 M CA 4.544 59.862 55.300 0.030 0.000 1.102 128 M CB -0.613 31.912 32.600 -0.125 0.000 1.336 128 M HN -0.282 8.040 8.290 0.052 0.000 0.404 129 K N -0.567 119.940 120.400 0.179 0.000 2.026 129 K HA -0.390 4.172 4.320 0.404 0.000 0.208 129 K C 2.458 179.181 176.600 0.205 0.000 1.048 129 K CA 3.011 59.466 56.287 0.279 0.000 0.929 129 K CB -0.154 32.468 32.500 0.203 0.000 0.713 129 K HN -0.239 8.109 8.250 0.164 0.000 0.439 130 Q N -2.800 117.075 119.800 0.126 0.000 2.096 130 Q HA -0.323 4.074 4.340 0.094 0.000 0.204 130 Q C 2.419 178.481 176.000 0.104 0.000 0.982 130 Q CA 2.549 58.412 55.803 0.099 0.000 0.850 130 Q CB 0.133 28.914 28.738 0.073 0.000 0.901 130 Q HN -0.250 8.083 8.270 0.105 0.000 0.422 131 K N -1.482 118.986 120.400 0.114 0.000 2.009 131 K HA -0.306 4.060 4.320 0.078 0.000 0.210 131 K C 0.987 177.651 176.600 0.107 0.000 1.049 131 K CA 1.776 58.124 56.287 0.101 0.000 0.929 131 K CB 0.767 33.332 32.500 0.107 0.000 0.714 131 K HN -0.316 8.003 8.250 0.115 0.000 0.440 132 G N -1.641 107.274 108.800 0.192 0.000 2.693 132 G HA2 -0.253 3.896 3.960 0.316 0.000 0.226 132 G HA3 -0.253 3.760 3.960 0.090 0.000 0.226 132 G C -1.625 173.257 174.900 -0.030 0.000 1.354 132 G CA -0.217 44.978 45.100 0.158 0.000 0.873 132 G HN -0.066 8.374 8.290 0.250 0.000 0.562 133 C N -2.860 116.292 119.300 -0.248 0.000 3.304 133 C HA 0.354 4.740 4.460 -0.229 -0.063 0.264 133 C C 0.873 175.726 174.990 -0.229 0.000 2.233 133 C CA -2.929 55.884 59.018 -0.343 0.000 1.661 133 C CB -2.048 25.250 27.740 -0.737 0.000 3.383 133 C HN 0.206 8.303 8.230 -0.222 0.000 0.427 134 A N 2.311 125.050 122.820 -0.135 0.000 2.014 134 A HA -0.251 4.005 4.320 -0.107 0.000 0.218 134 A C 0.558 178.094 177.584 -0.079 0.000 1.163 134 A CA 2.417 54.397 52.037 -0.095 0.000 0.652 134 A CB -0.368 18.601 19.000 -0.052 0.000 0.808 134 A HN 0.472 8.558 8.150 -0.106 0.000 0.449 135 N N -3.649 115.007 118.700 -0.074 0.000 2.230 135 N HA 0.070 4.780 4.740 -0.050 0.000 0.202 135 N C -0.476 174.994 175.510 -0.066 0.000 1.119 135 N CA -0.491 52.525 53.050 -0.057 0.000 0.851 135 N CB 0.341 38.805 38.487 -0.039 0.000 0.990 135 N HN -0.086 8.207 8.380 -0.078 0.040 0.497 136 G N -0.477 108.265 108.800 -0.096 0.000 2.347 136 G HA2 -0.169 3.729 3.960 -0.102 0.000 0.341 136 G HA3 -0.169 3.745 3.960 -0.076 0.000 0.341 136 G C -3.444 171.380 174.900 -0.127 0.000 1.287 136 G CA -0.767 44.273 45.100 -0.099 0.000 0.984 136 G HN -0.691 7.352 8.290 -0.117 0.176 0.526 137 P HA 0.221 4.663 4.420 -0.176 -0.127 0.271 137 P C -1.016 176.236 177.300 -0.079 0.000 1.233 137 P CA -0.241 62.787 63.100 -0.120 0.000 0.789 137 P CB 0.905 32.556 31.700 -0.082 0.000 0.951 138 V N -4.551 115.332 119.914 -0.052 0.000 3.046 138 V HA 0.388 4.503 4.120 -0.008 0.000 0.316 138 V C -2.015 174.086 176.094 0.011 0.000 1.104 138 V CA -3.312 58.988 62.300 0.000 0.000 1.006 138 V CB 3.474 35.330 31.823 0.054 0.000 1.058 138 V HN 0.132 8.285 8.190 -0.062 0.000 0.440 139 D N 0.998 121.406 120.400 0.014 0.000 2.339 139 D HA 0.024 4.791 4.640 0.003 -0.126 0.241 139 D C 0.207 176.522 176.300 0.025 0.000 1.183 139 D CA -0.743 53.263 54.000 0.010 0.000 0.859 139 D CB 0.420 41.221 40.800 0.003 0.000 1.067 139 D HN 0.360 8.740 8.370 0.016 0.000 0.484 140 L N 8.196 129.436 121.223 0.028 0.000 2.191 140 L HA -0.246 4.124 4.340 0.051 0.000 0.212 140 L C 0.535 177.452 176.870 0.078 0.000 1.103 140 L CA 2.117 56.989 54.840 0.054 0.000 0.769 140 L CB 0.260 42.347 42.059 0.048 0.000 0.908 140 L HN 0.328 8.569 8.230 0.020 0.000 0.438 141 V N -1.786 118.150 119.914 0.037 0.000 2.223 141 V HA -0.539 3.593 4.120 0.019 0.000 0.244 141 V C 1.660 177.755 176.094 0.001 0.000 1.045 141 V CA 4.594 66.902 62.300 0.014 0.000 1.000 141 V CB -0.802 31.018 31.823 -0.005 0.000 0.635 141 V HN -0.193 8.225 8.190 0.023 -0.214 0.445 142 K N -0.099 120.303 120.400 0.002 0.000 2.063 142 K HA -0.317 3.994 4.320 -0.015 0.000 0.208 142 K C 1.957 178.557 176.600 0.001 0.000 1.048 142 K CA 2.826 59.111 56.287 -0.004 0.000 0.928 142 K CB -0.103 32.399 32.500 0.003 0.000 0.713 142 K HN -0.822 7.809 8.250 0.004 -0.378 0.442 143 E N -5.020 115.200 120.200 0.032 0.000 2.371 143 E HA -0.163 4.207 4.350 0.033 0.000 0.194 143 E C -0.173 176.492 176.600 0.107 0.000 1.012 143 E CA 1.404 57.835 56.400 0.052 0.000 0.860 143 E CB 0.400 30.134 29.700 0.056 0.000 0.811 143 E HN -0.309 8.055 8.360 0.039 0.019 0.502 144 F N -3.042 116.841 119.950 -0.111 0.000 1.806 144 F HA 0.158 4.589 4.527 -0.161 0.000 0.245 144 F C -1.030 174.688 175.800 -0.136 0.000 1.158 144 F CA 1.399 59.317 58.000 -0.137 0.000 1.289 144 F CB 1.953 40.877 39.000 -0.128 0.000 1.718 144 F HN -0.705 7.594 8.300 0.087 0.053 0.480 145 A N 0.473 123.211 122.820 -0.136 0.000 1.933 145 A HA -0.288 3.796 4.320 -0.394 0.000 0.218 145 A C 1.568 179.021 177.584 -0.218 0.000 1.175 145 A CA 3.192 55.096 52.037 -0.221 0.000 0.628 145 A CB -0.346 18.633 19.000 -0.035 0.000 0.814 145 A HN 0.012 8.199 8.150 0.063 0.000 0.444 146 L N -0.746 120.383 121.223 -0.157 0.000 2.007 146 L HA -0.080 4.190 4.340 -0.116 0.000 0.205 146 L C -1.506 175.241 176.870 -0.205 0.000 1.073 146 L CA 4.414 59.172 54.840 -0.138 0.000 0.744 146 L CB -2.256 39.754 42.059 -0.082 0.000 0.898 146 L HN -0.176 7.983 8.230 -0.118 0.000 0.435 147 P HA -0.176 3.983 4.420 -0.436 0.000 0.221 147 P C 1.844 178.798 177.300 -0.576 0.000 1.150 147 P CA 2.444 65.200 63.100 -0.574 0.000 0.800 147 P CB -0.401 30.786 31.700 -0.855 0.000 0.787 148 V N -0.043 119.565 119.914 -0.509 0.000 2.219 148 V HA -0.338 3.547 4.120 -0.392 0.000 0.248 148 V C -0.500 175.467 176.094 -0.211 0.000 1.053 148 V CA 5.928 67.976 62.300 -0.420 0.000 1.009 148 V CB -3.125 28.335 31.823 -0.604 0.000 0.636 148 V HN -0.146 7.713 8.190 -0.552 0.000 0.445 149 P HA 0.033 4.588 4.420 -0.039 -0.158 0.217 149 P C 2.274 179.560 177.300 -0.023 0.000 1.151 149 P CA 2.753 65.812 63.100 -0.068 0.000 0.828 149 P CB -0.241 31.419 31.700 -0.067 0.000 0.788 150 S N 0.644 116.328 115.700 -0.026 0.000 2.356 150 S HA -0.242 4.297 4.470 -0.093 -0.124 0.223 150 S C 2.087 176.856 174.600 0.281 0.000 1.032 150 S CA 4.184 62.416 58.200 0.053 0.000 1.005 150 S CB -0.232 63.051 63.200 0.138 0.000 0.867 150 S HN -0.679 7.566 8.310 -0.075 0.021 0.449 151 Y N 0.963 121.305 120.300 0.069 0.000 2.224 151 Y HA -0.406 4.244 4.550 0.165 0.000 0.289 151 Y C 2.493 178.500 175.900 0.179 0.000 1.146 151 Y CA 2.306 60.477 58.100 0.118 0.000 1.182 151 Y CB 0.111 38.599 38.460 0.045 0.000 0.983 151 Y HN -0.239 8.225 8.280 0.306 0.000 0.524 152 I N -0.749 119.997 120.570 0.294 0.000 2.142 152 I HA -0.431 4.017 4.170 0.463 0.000 0.240 152 I C 2.354 178.614 176.117 0.238 0.000 1.078 152 I CA 3.867 65.350 61.300 0.305 0.000 1.343 152 I CB 0.272 38.387 38.000 0.191 0.000 1.046 152 I HN -0.670 7.672 8.210 0.220 0.000 0.405 153 I N 0.123 120.773 120.570 0.133 0.000 2.315 153 I HA -0.479 3.764 4.170 0.123 0.000 0.248 153 I C 1.203 177.380 176.117 0.100 0.000 1.117 153 I CA 2.119 63.467 61.300 0.080 0.000 1.404 153 I CB -0.168 37.825 38.000 -0.013 0.000 1.071 153 I HN -0.374 7.896 8.210 0.099 0.000 0.419 154 Y N -1.639 118.723 120.300 0.103 0.000 2.181 154 Y HA -0.560 4.036 4.550 0.077 0.000 0.288 154 Y C 2.259 178.204 175.900 0.075 0.000 1.146 154 Y CA 3.492 61.636 58.100 0.074 0.000 1.164 154 Y CB -0.040 38.437 38.460 0.028 0.000 0.982 154 Y HN -0.244 8.107 8.280 0.119 0.000 0.515 155 T N 1.926 116.635 114.554 0.258 0.000 2.746 155 T HA -0.401 4.038 4.350 0.148 0.000 0.267 155 T C 1.333 176.077 174.700 0.072 0.000 1.039 155 T CA 4.314 66.511 62.100 0.163 0.000 1.142 155 T CB 0.142 69.137 68.868 0.212 0.000 0.866 155 T HN -0.407 8.007 8.240 0.292 0.000 0.444 156 L N 0.298 121.560 121.223 0.066 0.000 2.083 156 L HA -0.401 3.897 4.340 -0.071 0.000 0.209 156 L C 1.791 178.680 176.870 0.032 0.000 1.083 156 L CA 3.102 57.937 54.840 -0.007 0.000 0.752 156 L CB -0.423 41.620 42.059 -0.027 0.000 0.899 156 L HN -0.270 8.030 8.230 0.117 0.000 0.433 157 L N -3.890 117.395 121.223 0.102 0.000 2.093 157 L HA -0.384 4.024 4.340 0.113 0.000 0.208 157 L C 1.119 178.059 176.870 0.117 0.000 1.085 157 L CA 2.915 57.833 54.840 0.131 0.000 0.755 157 L CB 0.376 42.551 42.059 0.194 0.000 0.904 157 L HN -0.088 8.219 8.230 0.129 0.000 0.435 158 G N -6.085 102.786 108.800 0.119 0.000 2.321 158 G HA2 -0.308 3.739 3.960 0.064 0.000 0.174 158 G HA3 -0.308 3.772 3.960 0.085 -0.069 0.174 158 G C -1.098 173.874 174.900 0.120 0.000 1.008 158 G CA -0.752 44.405 45.100 0.094 0.000 0.739 158 G HN -0.520 7.851 8.290 0.135 0.000 0.502 159 V N 3.551 123.561 119.914 0.160 0.000 2.585 159 V HA -0.055 4.185 4.120 0.200 0.000 0.296 159 V C -1.521 174.627 176.094 0.090 0.000 1.035 159 V CA -0.607 61.779 62.300 0.143 0.000 1.084 159 V CB 0.286 32.134 31.823 0.043 0.000 0.953 159 V HN -0.382 7.921 8.190 0.187 0.000 0.483 160 P HA 0.056 4.540 4.420 0.106 0.000 0.274 160 P C 0.180 177.517 177.300 0.062 0.000 1.231 160 P CA -0.840 62.315 63.100 0.090 0.000 0.790 160 P CB 0.975 32.725 31.700 0.083 0.000 0.951 161 F N 3.888 123.817 119.950 -0.036 0.000 2.120 161 F HA -0.437 4.028 4.527 -0.105 0.000 0.300 161 F C 1.523 177.264 175.800 -0.099 0.000 1.095 161 F CA 4.528 62.484 58.000 -0.074 0.000 1.249 161 F CB 0.376 39.355 39.000 -0.035 0.000 0.995 161 F HN 0.242 8.703 8.300 0.269 0.000 0.480 162 N N -2.512 116.234 118.700 0.077 0.000 2.192 162 N HA -0.314 4.445 4.740 0.032 0.000 0.188 162 N C 0.689 176.133 175.510 -0.110 0.000 1.013 162 N CA 2.355 55.406 53.050 0.002 0.000 0.863 162 N CB -0.450 38.064 38.487 0.046 0.000 0.990 162 N HN 0.049 8.507 8.380 0.156 0.016 0.430 163 D N -1.720 118.600 120.400 -0.133 0.000 2.339 163 D HA 0.142 4.720 4.640 -0.104 0.000 0.217 163 D C 0.876 176.994 176.300 -0.304 0.000 1.050 163 D CA 0.791 54.697 54.000 -0.156 0.000 0.856 163 D CB 0.262 41.010 40.800 -0.088 0.000 0.922 163 D HN -0.454 7.783 8.370 -0.118 0.062 0.518 164 L N -1.181 119.777 121.223 -0.442 0.000 2.046 164 L HA -0.417 3.583 4.340 -0.568 0.000 0.208 164 L C 1.512 178.158 176.870 -0.373 0.000 1.077 164 L CA 3.784 58.273 54.840 -0.585 0.000 0.747 164 L CB -0.139 41.265 42.059 -1.091 0.000 0.896 164 L HN -0.730 7.103 8.230 -0.461 0.121 0.432 165 E N -1.668 118.374 120.200 -0.264 0.000 2.051 165 E HA -0.416 3.999 4.350 0.108 0.000 0.192 165 E C 1.896 178.502 176.600 0.009 0.000 0.991 165 E CA 3.070 59.459 56.400 -0.017 0.000 0.799 165 E CB -0.336 29.374 29.700 0.017 0.000 0.748 165 E HN 0.058 8.226 8.360 -0.320 0.000 0.449 166 Y N -0.531 119.693 120.300 -0.126 0.000 2.145 166 Y HA -0.290 4.223 4.550 -0.062 0.000 0.286 166 Y C 1.560 177.380 175.900 -0.134 0.000 1.145 166 Y CA 3.133 61.168 58.100 -0.107 0.000 1.148 166 Y CB -0.079 38.312 38.460 -0.115 0.000 0.981 166 Y HN -0.150 8.169 8.280 0.065 0.000 0.507 167 L N -2.917 118.148 121.223 -0.264 0.000 2.141 167 L HA -0.303 3.784 4.340 -0.423 0.000 0.209 167 L C 2.452 179.250 176.870 -0.120 0.000 1.094 167 L CA 2.132 56.725 54.840 -0.412 0.000 0.763 167 L CB -1.513 40.023 42.059 -0.872 0.000 0.908 167 L HN -0.389 7.722 8.230 -0.199 0.000 0.437 168 T N 2.061 116.624 114.554 0.014 0.000 2.708 168 T HA -0.496 4.068 4.350 0.357 0.000 0.266 168 T C 1.565 176.284 174.700 0.033 0.000 1.037 168 T CA 5.556 67.769 62.100 0.189 0.000 1.146 168 T CB -0.311 68.717 68.868 0.266 0.000 0.865 168 T HN -0.080 8.122 8.240 -0.064 0.000 0.435 169 Q N 1.066 120.823 119.800 -0.071 0.000 2.061 169 Q HA -0.427 3.874 4.340 -0.064 0.000 0.204 169 Q C 2.310 178.211 176.000 -0.164 0.000 0.984 169 Q CA 3.438 59.170 55.803 -0.119 0.000 0.846 169 Q CB -0.141 28.504 28.738 -0.156 0.000 0.902 169 Q HN -0.641 7.579 8.270 -0.082 0.000 0.421 170 Q N -1.925 117.701 119.800 -0.291 0.000 2.119 170 Q HA -0.306 3.904 4.340 -0.216 0.000 0.201 170 Q C 2.511 178.467 176.000 -0.073 0.000 0.972 170 Q CA 2.330 57.992 55.803 -0.235 0.000 0.847 170 Q CB -0.571 27.958 28.738 -0.348 0.000 0.903 170 Q HN -0.332 7.702 8.270 -0.393 0.000 0.433 171 N N 0.025 118.722 118.700 -0.005 0.000 2.166 171 N HA -0.410 4.354 4.740 0.040 0.000 0.186 171 N C 1.549 177.051 175.510 -0.013 0.000 1.019 171 N CA 2.877 55.943 53.050 0.027 0.000 0.856 171 N CB -0.147 38.375 38.487 0.058 0.000 0.993 171 N HN -0.315 8.069 8.380 0.006 0.000 0.426 172 A N -0.313 122.494 122.820 -0.022 0.000 1.933 172 A HA -0.253 4.049 4.320 -0.031 0.000 0.218 172 A C 1.860 179.427 177.584 -0.027 0.000 1.175 172 A CA 2.644 54.664 52.037 -0.029 0.000 0.628 172 A CB -0.424 18.558 19.000 -0.029 0.000 0.814 172 A HN -0.650 7.489 8.150 -0.019 0.000 0.444 173 I N -2.714 117.837 120.570 -0.032 0.000 2.335 173 I HA -0.491 3.806 4.170 -0.022 -0.140 0.251 173 I C 2.481 178.592 176.117 -0.009 0.000 1.129 173 I CA 3.626 64.912 61.300 -0.023 0.000 1.402 173 I CB -0.307 37.674 38.000 -0.031 0.000 1.069 173 I HN -0.468 7.716 8.210 -0.043 0.000 0.424 174 R N -3.827 116.672 120.500 -0.001 0.000 2.117 174 R HA -0.302 4.052 4.340 0.022 0.000 0.243 174 R C 1.097 177.395 176.300 -0.003 0.000 1.143 174 R CA 2.725 58.832 56.100 0.012 0.000 0.968 174 R CB 0.132 30.446 30.300 0.024 0.000 0.863 174 R HN -0.456 7.793 8.270 -0.003 0.019 0.444 175 T N -8.199 106.346 114.554 -0.015 0.000 3.010 175 T HA 0.077 4.416 4.350 -0.018 0.000 0.257 175 T C 0.240 174.929 174.700 -0.018 0.000 1.020 175 T CA -0.608 61.480 62.100 -0.020 0.000 0.938 175 T CB 1.769 70.618 68.868 -0.031 0.000 1.049 175 T HN -0.562 7.642 8.240 -0.018 0.026 0.522 176 N N 2.959 121.649 118.700 -0.017 0.000 2.412 176 N HA -0.117 4.614 4.740 -0.016 0.000 0.258 176 N C 1.674 177.177 175.510 -0.012 0.000 1.236 176 N CA 0.108 53.149 53.050 -0.015 0.000 0.882 176 N CB 1.038 39.516 38.487 -0.015 0.000 1.066 176 N HN -0.504 7.866 8.380 -0.017 0.000 0.465 177 G N 0.868 109.662 108.800 -0.011 0.000 2.470 177 G HA2 -0.198 3.756 3.960 -0.011 0.000 0.220 177 G HA3 -0.198 3.758 3.960 -0.008 0.000 0.220 177 G C -0.003 174.892 174.900 -0.008 0.000 1.121 177 G CA 1.494 46.589 45.100 -0.009 0.000 0.766 177 G HN 0.298 8.581 8.290 -0.011 0.000 0.553 178 S N -2.576 113.119 115.700 -0.007 0.000 2.528 178 S HA 0.018 4.485 4.470 -0.005 0.000 0.219 178 S C 0.459 175.056 174.600 -0.005 0.000 0.985 178 S CA -0.072 58.124 58.200 -0.005 0.000 0.914 178 S CB -0.480 62.717 63.200 -0.005 0.000 0.776 178 S HN -0.407 7.856 8.310 -0.008 0.042 0.526 179 S N 4.265 119.962 115.700 -0.006 0.000 2.562 179 S HA -0.042 4.576 4.470 -0.002 -0.150 0.281 179 S C 0.521 175.120 174.600 -0.003 0.000 1.333 179 S CA 0.574 58.772 58.200 -0.004 0.000 1.052 179 S CB 0.949 64.146 63.200 -0.004 0.000 0.884 179 S HN -0.570 7.690 8.310 -0.007 0.045 0.506 180 T N 1.512 116.066 114.554 -0.000 0.000 2.813 180 T HA 0.077 4.426 4.350 -0.001 0.000 0.297 180 T C 1.343 176.043 174.700 0.001 0.000 1.036 180 T CA -1.156 60.944 62.100 0.000 0.000 1.044 180 T CB 2.004 70.873 68.868 0.002 0.000 0.993 180 T HN 0.120 8.685 8.240 0.001 -0.324 0.535 181 A N 2.615 125.435 122.820 -0.000 0.000 1.908 181 A HA -0.336 3.984 4.320 -0.001 0.000 0.218 181 A C 2.589 180.176 177.584 0.005 0.000 1.181 181 A CA 3.141 55.178 52.037 0.000 0.000 0.627 181 A CB -0.660 18.339 19.000 -0.002 0.000 0.818 181 A HN 0.712 8.861 8.150 -0.001 0.000 0.445 182 R N -2.272 118.232 120.500 0.006 0.000 2.073 182 R HA -0.265 4.080 4.340 0.009 0.000 0.234 182 R C 2.895 179.203 176.300 0.012 0.000 1.134 182 R CA 3.748 59.853 56.100 0.009 0.000 0.952 182 R CB -0.142 30.163 30.300 0.009 0.000 0.850 182 R HN 0.182 8.455 8.270 0.005 0.000 0.433 183 E N -0.538 119.668 120.200 0.011 0.000 2.051 183 E HA -0.347 4.012 4.350 0.015 0.000 0.192 183 E C 2.352 178.960 176.600 0.014 0.000 0.991 183 E CA 2.887 59.294 56.400 0.012 0.000 0.799 183 E CB -0.251 29.454 29.700 0.008 0.000 0.748 183 E HN -0.690 7.675 8.360 0.009 0.000 0.449 184 A N -0.926 121.902 122.820 0.012 0.000 1.902 184 A HA -0.286 4.045 4.320 0.017 0.000 0.217 184 A C 2.071 179.673 177.584 0.029 0.000 1.181 184 A CA 3.185 55.232 52.037 0.017 0.000 0.623 184 A CB -0.502 18.505 19.000 0.011 0.000 0.818 184 A HN -0.083 8.073 8.150 0.009 0.000 0.443 185 S N -0.586 115.128 115.700 0.024 0.000 2.368 185 S HA -0.336 4.154 4.470 0.033 0.000 0.224 185 S C 2.004 176.619 174.600 0.027 0.000 1.029 185 S CA 4.102 62.318 58.200 0.026 0.000 0.988 185 S CB -0.346 62.863 63.200 0.016 0.000 0.838 185 S HN -0.277 8.044 8.310 0.018 0.000 0.462 186 A N 0.434 123.269 122.820 0.025 0.000 1.933 186 A HA -0.208 4.127 4.320 0.024 0.000 0.218 186 A C 1.604 179.211 177.584 0.038 0.000 1.175 186 A CA 2.889 54.943 52.037 0.028 0.000 0.628 186 A CB -0.874 18.142 19.000 0.028 0.000 0.814 186 A HN -0.160 8.003 8.150 0.022 0.000 0.444 187 A N -0.888 121.956 122.820 0.039 0.000 1.898 187 A HA -0.305 4.040 4.320 0.041 0.000 0.216 187 A C 1.658 179.292 177.584 0.083 0.000 1.181 187 A CA 2.651 54.715 52.037 0.046 0.000 0.620 187 A CB -0.468 18.546 19.000 0.024 0.000 0.819 187 A HN -0.181 7.989 8.150 0.033 0.000 0.442 188 N N -1.776 116.981 118.700 0.095 0.000 2.036 188 N HA -0.407 4.494 4.740 0.269 0.000 0.195 188 N C 1.963 177.486 175.510 0.022 0.000 1.037 188 N CA 3.734 56.870 53.050 0.143 0.000 0.855 188 N CB -0.066 38.498 38.487 0.128 0.000 1.033 188 N HN -0.262 8.165 8.380 0.077 0.000 0.423 189 Q N -0.704 119.094 119.800 -0.002 0.000 2.167 189 Q HA -0.284 3.997 4.340 -0.098 0.000 0.202 189 Q C 1.948 177.947 176.000 -0.001 0.000 0.970 189 Q CA 2.625 58.404 55.803 -0.039 0.000 0.855 189 Q CB -0.277 28.450 28.738 -0.018 0.000 0.911 189 Q HN -0.379 7.902 8.270 0.018 0.000 0.438 190 E N 0.806 121.034 120.200 0.046 0.000 2.085 190 E HA -0.321 4.080 4.350 0.087 0.000 0.194 190 E C 2.333 179.009 176.600 0.127 0.000 0.994 190 E CA 3.132 59.586 56.400 0.089 0.000 0.801 190 E CB -0.157 29.604 29.700 0.103 0.000 0.743 190 E HN -0.402 7.986 8.360 0.047 0.000 0.453 191 L N -1.403 119.898 121.223 0.131 0.000 2.056 191 L HA -0.327 4.141 4.340 0.214 0.000 0.207 191 L C 2.360 179.330 176.870 0.167 0.000 1.078 191 L CA 2.979 57.945 54.840 0.209 0.000 0.749 191 L CB -0.129 42.143 42.059 0.356 0.000 0.901 191 L HN -0.360 7.941 8.230 0.118 0.000 0.433 192 L N -1.003 120.187 121.223 -0.056 0.000 2.042 192 L HA -0.494 3.744 4.340 -0.171 0.000 0.210 192 L C 2.182 179.044 176.870 -0.013 0.000 1.076 192 L CA 3.510 58.253 54.840 -0.162 0.000 0.749 192 L CB -0.651 41.196 42.059 -0.354 0.000 0.893 192 L HN -0.417 7.746 8.230 -0.111 0.000 0.432 193 D N -0.995 119.420 120.400 0.025 0.000 2.117 193 D HA -0.292 4.354 4.640 0.010 0.000 0.197 193 D C 2.304 178.652 176.300 0.081 0.000 0.987 193 D CA 3.305 57.330 54.000 0.041 0.000 0.829 193 D CB -0.333 40.493 40.800 0.044 0.000 0.961 193 D HN -0.292 8.090 8.370 0.021 0.000 0.460 194 Y N 1.470 121.789 120.300 0.031 0.000 2.097 194 Y HA -0.525 4.044 4.550 0.032 0.000 0.282 194 Y C 1.403 177.333 175.900 0.049 0.000 1.152 194 Y CA 3.980 62.106 58.100 0.044 0.000 1.136 194 Y CB 0.215 38.715 38.460 0.066 0.000 0.975 194 Y HN -0.475 7.963 8.280 0.264 0.000 0.498 195 L N -3.027 118.359 121.223 0.272 0.000 2.131 195 L HA -0.518 3.947 4.340 0.207 0.000 0.210 195 L C 2.062 178.963 176.870 0.051 0.000 1.092 195 L CA 2.713 57.664 54.840 0.184 0.000 0.759 195 L CB -0.637 41.562 42.059 0.234 0.000 0.903 195 L HN -0.143 8.286 8.230 0.331 0.000 0.435 196 A N -0.265 122.567 122.820 0.021 0.000 1.902 196 A HA -0.340 3.982 4.320 0.003 0.000 0.217 196 A C 1.975 179.533 177.584 -0.044 0.000 1.181 196 A CA 3.097 55.128 52.037 -0.009 0.000 0.623 196 A CB -0.770 18.222 19.000 -0.013 0.000 0.818 196 A HN -0.308 7.847 8.150 0.035 0.016 0.443 197 I N -1.411 119.103 120.570 -0.093 0.000 2.315 197 I HA -0.464 3.650 4.170 -0.094 0.000 0.248 197 I C 1.621 177.651 176.117 -0.145 0.000 1.117 197 I CA 3.757 64.977 61.300 -0.134 0.000 1.404 197 I CB -0.089 37.789 38.000 -0.203 0.000 1.071 197 I HN -0.738 7.417 8.210 -0.093 0.000 0.419 198 L N 0.050 121.167 121.223 -0.176 0.000 2.046 198 L HA -0.365 3.897 4.340 -0.129 0.000 0.208 198 L C 1.374 178.221 176.870 -0.037 0.000 1.077 198 L CA 3.159 57.933 54.840 -0.109 0.000 0.747 198 L CB -0.838 41.184 42.059 -0.061 0.000 0.896 198 L HN -0.499 7.604 8.230 -0.212 0.000 0.432 199 V N 0.169 120.075 119.914 -0.013 0.000 2.287 199 V HA -0.466 3.662 4.120 0.013 0.000 0.248 199 V C 2.520 178.608 176.094 -0.011 0.000 1.053 199 V CA 4.158 66.460 62.300 0.003 0.000 1.027 199 V CB -0.957 30.876 31.823 0.017 0.000 0.646 199 V HN 0.037 8.220 8.190 -0.011 0.000 0.447 200 E N -1.618 118.567 120.200 -0.025 0.000 2.085 200 E HA -0.400 3.940 4.350 -0.017 0.000 0.194 200 E C 2.681 179.265 176.600 -0.027 0.000 0.994 200 E CA 3.110 59.495 56.400 -0.025 0.000 0.801 200 E CB -0.748 28.933 29.700 -0.033 0.000 0.743 200 E HN -0.509 7.831 8.360 -0.033 0.000 0.453 201 Q N -0.738 119.040 119.800 -0.038 0.000 2.079 201 Q HA -0.286 4.035 4.340 -0.032 0.000 0.200 201 Q C 2.547 178.534 176.000 -0.021 0.000 0.974 201 Q CA 3.181 58.964 55.803 -0.035 0.000 0.840 201 Q CB 0.131 28.839 28.738 -0.051 0.000 0.898 201 Q HN -0.334 7.895 8.270 -0.048 0.013 0.430 202 R N -2.865 117.626 120.500 -0.014 0.000 2.189 202 R HA -0.146 4.376 4.340 -0.006 -0.186 0.218 202 R C 1.987 178.285 176.300 -0.003 0.000 1.074 202 R CA 0.579 56.676 56.100 -0.005 0.000 0.991 202 R CB -0.493 29.810 30.300 0.005 0.000 0.883 202 R HN -0.212 8.048 8.270 -0.017 0.000 0.457 203 L N -2.707 118.514 121.223 -0.004 0.000 2.093 203 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 203 L C 1.244 178.111 176.870 -0.005 0.000 1.085 203 L CA 2.820 57.658 54.840 -0.003 0.000 0.755 203 L CB 0.066 42.123 42.059 -0.003 0.000 0.904 203 L HN -0.414 7.790 8.230 -0.006 0.023 0.435 204 V N -6.237 113.671 119.914 -0.009 0.000 2.488 204 V HA -0.205 3.910 4.120 -0.008 0.000 0.246 204 V C 0.280 176.368 176.094 -0.009 0.000 1.046 204 V CA 1.618 63.913 62.300 -0.009 0.000 1.053 204 V CB 0.057 31.873 31.823 -0.012 0.000 0.679 204 V HN -0.653 7.531 8.190 -0.011 0.000 0.458 205 E N 0.263 120.457 120.200 -0.009 0.000 2.621 205 E HA 0.485 4.830 4.350 -0.008 0.000 0.263 205 E C -2.126 174.470 176.600 -0.007 0.000 1.033 205 E CA -3.661 52.734 56.400 -0.009 0.000 0.778 205 E CB 2.150 31.844 29.700 -0.010 0.000 1.426 205 E HN -0.231 8.123 8.360 -0.010 0.000 0.394 206 P HA -0.033 4.456 4.420 -0.003 -0.072 0.269 206 P C -1.047 176.249 177.300 -0.007 0.000 1.215 206 P CA -0.294 62.803 63.100 -0.005 0.000 0.780 206 P CB 0.662 32.359 31.700 -0.005 0.000 0.898 207 K N -0.100 120.297 120.400 -0.006 0.000 2.246 207 K HA 0.219 4.532 4.320 -0.011 0.000 0.239 207 K C -1.128 175.464 176.600 -0.013 0.000 1.089 207 K CA -2.030 54.252 56.287 -0.009 0.000 0.892 207 K CB 2.027 34.524 32.500 -0.004 0.000 1.334 207 K HN -0.108 8.140 8.250 -0.003 0.000 0.507 208 D N 1.370 121.757 120.400 -0.021 0.000 2.508 208 D HA -0.038 4.582 4.640 -0.034 0.000 0.224 208 D C -1.384 174.894 176.300 -0.036 0.000 1.171 208 D CA -0.082 53.898 54.000 -0.034 0.000 1.006 208 D CB -1.062 39.709 40.800 -0.047 0.000 1.073 208 D HN 0.130 8.487 8.370 -0.021 0.000 0.513 209 D N -0.440 119.945 120.400 -0.025 0.000 2.764 209 D HA 0.117 4.734 4.640 -0.039 0.000 0.293 209 D C -0.924 175.373 176.300 -0.006 0.000 1.287 209 D CA -0.997 52.991 54.000 -0.019 0.000 0.768 209 D CB 1.644 42.448 40.800 0.006 0.000 1.288 209 D HN -0.618 7.741 8.370 -0.018 0.000 0.426 210 I N -1.849 118.725 120.570 0.007 0.000 2.252 210 I HA -0.440 3.736 4.170 0.010 0.000 0.245 210 I C 1.552 177.698 176.117 0.049 0.000 1.102 210 I CA 4.009 65.326 61.300 0.028 0.000 1.385 210 I CB 0.498 38.536 38.000 0.062 0.000 1.064 210 I HN -0.084 8.130 8.210 0.008 0.000 0.414 211 I N 0.614 121.221 120.570 0.062 0.000 2.208 211 I HA -0.606 3.608 4.170 0.073 0.000 0.245 211 I C 2.008 178.148 176.117 0.039 0.000 1.097 211 I CA 4.614 65.953 61.300 0.064 0.000 1.363 211 I CB -0.352 37.694 38.000 0.077 0.000 1.051 211 I HN -0.495 7.755 8.210 0.067 0.000 0.413 212 S N 0.180 115.895 115.700 0.025 0.000 2.382 212 S HA -0.358 4.120 4.470 0.013 0.000 0.228 212 S C 1.710 176.315 174.600 0.008 0.000 1.027 212 S CA 4.416 62.624 58.200 0.013 0.000 0.991 212 S CB -0.549 62.653 63.200 0.004 0.000 0.823 212 S HN 0.042 8.682 8.310 0.026 -0.314 0.469 213 K N 3.242 123.646 120.400 0.006 0.000 2.057 213 K HA -0.238 4.080 4.320 -0.004 0.000 0.207 213 K C 2.400 179.004 176.600 0.007 0.000 1.049 213 K CA 3.312 59.600 56.287 0.001 0.000 0.931 213 K CB -0.017 32.480 32.500 -0.005 0.000 0.714 213 K HN -0.753 7.501 8.250 0.007 0.000 0.440 214 L N -0.745 120.490 121.223 0.020 0.000 2.012 214 L HA -0.446 3.903 4.340 0.015 0.000 0.210 214 L C 1.945 178.826 176.870 0.018 0.000 1.073 214 L CA 3.582 58.436 54.840 0.023 0.000 0.748 214 L CB -0.272 41.814 42.059 0.045 0.000 0.891 214 L HN -0.254 7.993 8.230 0.028 0.000 0.431 215 C N -1.968 117.343 119.300 0.019 0.000 2.436 215 C HA -0.441 4.029 4.460 0.016 0.000 0.277 215 C C 2.274 177.269 174.990 0.008 0.000 1.241 215 C CA 4.590 63.616 59.018 0.014 0.000 1.721 215 C CB -1.638 26.110 27.740 0.012 0.000 2.043 215 C HN 0.068 8.310 8.230 0.021 0.000 0.472 216 T N -2.124 112.432 114.554 0.004 0.000 2.812 216 T HA -0.270 4.080 4.350 0.001 0.000 0.264 216 T C 1.842 176.541 174.700 -0.001 0.000 1.042 216 T CA 3.082 65.182 62.100 0.000 0.000 1.140 216 T CB -0.161 68.705 68.868 -0.003 0.000 0.870 216 T HN 0.106 8.348 8.240 0.004 0.000 0.445 217 E N -0.839 119.359 120.200 -0.003 0.000 2.318 217 E HA -0.048 4.297 4.350 -0.007 0.000 0.193 217 E C 0.851 177.447 176.600 -0.007 0.000 0.998 217 E CA 1.850 58.245 56.400 -0.008 0.000 0.859 217 E CB 0.534 30.225 29.700 -0.016 0.000 0.812 217 E HN -0.146 8.212 8.360 -0.003 0.000 0.492 218 Q N -3.993 115.806 119.800 -0.002 0.000 2.534 218 Q HA 0.209 4.549 4.340 0.000 0.000 0.252 218 Q C 1.651 177.659 176.000 0.014 0.000 0.850 218 Q CA 0.826 56.630 55.803 0.001 0.000 0.974 218 Q CB 1.880 30.613 28.738 -0.008 0.000 1.205 218 Q HN -0.387 7.884 8.270 0.001 0.000 0.593 219 V N 1.892 121.815 119.914 0.015 0.000 2.283 219 V HA -0.327 4.033 4.120 0.021 -0.228 0.243 219 V C 3.014 179.116 176.094 0.014 0.000 1.039 219 V CA 3.814 66.125 62.300 0.017 0.000 1.016 219 V CB 0.056 31.889 31.823 0.017 0.000 0.650 219 V HN -0.009 8.189 8.190 0.013 0.000 0.449 220 K N 0.080 120.485 120.400 0.010 0.000 2.057 220 K HA -0.210 4.115 4.320 0.007 0.000 0.207 220 K C -0.499 176.106 176.600 0.009 0.000 1.049 220 K CA 3.935 60.226 56.287 0.007 0.000 0.931 220 K CB -1.635 30.867 32.500 0.004 0.000 0.714 220 K HN -0.386 7.869 8.250 0.009 0.000 0.440 221 P HA -0.014 4.412 4.420 0.010 0.000 0.242 221 P C -0.660 176.650 177.300 0.017 0.000 1.197 221 P CA -0.056 63.051 63.100 0.012 0.000 0.765 221 P CB 0.154 31.862 31.700 0.013 0.000 0.936 222 G N -2.884 105.927 108.800 0.019 0.000 2.132 222 G HA2 -0.362 3.612 3.960 0.022 0.000 0.234 222 G HA3 -0.362 3.611 3.960 0.021 0.000 0.234 222 G C 0.659 175.580 174.900 0.035 0.000 0.989 222 G CA 0.138 45.252 45.100 0.024 0.000 0.676 222 G HN -0.125 7.986 8.290 0.018 0.190 0.522 223 N N -0.242 118.483 118.700 0.041 0.000 2.300 223 N HA -0.110 4.678 4.740 0.079 0.000 0.179 223 N C 0.356 175.913 175.510 0.078 0.000 1.016 223 N CA 1.426 54.517 53.050 0.068 0.000 0.876 223 N CB 0.716 39.239 38.487 0.060 0.000 0.979 223 N HN -0.156 8.204 8.380 0.033 0.041 0.432 224 I N -7.391 113.211 120.570 0.053 0.000 3.174 224 I HA 0.508 4.715 4.170 0.061 0.000 0.313 224 I C -2.417 173.723 176.117 0.039 0.000 1.155 224 I CA -2.311 59.020 61.300 0.052 0.000 0.977 224 I CB 3.790 41.821 38.000 0.051 0.000 1.248 224 I HN -0.698 7.537 8.210 0.042 0.000 0.453 225 D N 0.852 121.274 120.400 0.037 0.000 2.437 225 D HA 0.385 5.040 4.640 0.025 0.000 0.259 225 D C 0.920 177.236 176.300 0.028 0.000 1.118 225 D CA -2.193 51.824 54.000 0.028 0.000 1.017 225 D CB 1.176 41.991 40.800 0.024 0.000 1.120 225 D HN 0.024 8.746 8.370 0.042 -0.327 0.541 226 K N -1.408 119.005 120.400 0.021 0.000 2.063 226 K HA -0.387 3.947 4.320 0.023 0.000 0.208 226 K C 2.002 178.616 176.600 0.024 0.000 1.048 226 K CA 4.486 60.785 56.287 0.020 0.000 0.928 226 K CB -0.466 32.041 32.500 0.011 0.000 0.713 226 K HN 0.388 8.649 8.250 0.018 0.000 0.442 227 S N -1.725 113.987 115.700 0.020 0.000 2.382 227 S HA -0.251 4.226 4.470 0.012 0.000 0.228 227 S C 1.765 176.384 174.600 0.031 0.000 1.027 227 S CA 3.278 61.489 58.200 0.017 0.000 0.991 227 S CB -1.145 62.061 63.200 0.009 0.000 0.823 227 S HN -0.140 8.224 8.310 0.018 -0.043 0.469 228 D N 2.750 123.174 120.400 0.040 0.000 2.117 228 D HA -0.312 4.362 4.640 0.057 0.000 0.197 228 D C 1.966 178.307 176.300 0.069 0.000 0.987 228 D CA 3.161 57.194 54.000 0.056 0.000 0.829 228 D CB -0.556 40.280 40.800 0.060 0.000 0.961 228 D HN -0.034 8.683 8.370 0.036 -0.326 0.460 229 A N -0.143 122.714 122.820 0.062 0.000 1.902 229 A HA -0.246 4.123 4.320 0.081 0.000 0.217 229 A C 2.183 179.820 177.584 0.089 0.000 1.181 229 A CA 3.162 55.242 52.037 0.072 0.000 0.623 229 A CB -0.642 18.391 19.000 0.056 0.000 0.818 229 A HN -0.486 7.694 8.150 0.051 0.000 0.443 230 V N -1.031 118.927 119.914 0.073 0.000 2.295 230 V HA -0.509 3.673 4.120 0.103 0.000 0.246 230 V C 2.266 178.432 176.094 0.118 0.000 1.049 230 V CA 4.318 66.668 62.300 0.084 0.000 1.024 230 V CB -0.924 30.922 31.823 0.038 0.000 0.648 230 V HN -0.339 7.885 8.190 0.057 0.000 0.447 231 Q N -1.021 118.836 119.800 0.094 0.000 2.167 231 Q HA -0.254 4.175 4.340 0.149 0.000 0.202 231 Q C 3.106 179.200 176.000 0.155 0.000 0.970 231 Q CA 2.659 58.536 55.803 0.124 0.000 0.855 231 Q CB -0.431 28.353 28.738 0.076 0.000 0.911 231 Q HN -0.500 7.813 8.270 0.071 0.000 0.438 232 I N 0.081 120.735 120.570 0.140 0.000 2.202 232 I HA -0.502 3.748 4.170 0.133 0.000 0.242 232 I C 1.743 177.961 176.117 0.169 0.000 1.091 232 I CA 4.099 65.495 61.300 0.159 0.000 1.368 232 I CB -0.349 37.763 38.000 0.188 0.000 1.058 232 I HN 0.033 8.320 8.210 0.127 0.000 0.410 233 A N -0.046 122.880 122.820 0.178 0.000 1.908 233 A HA -0.326 4.101 4.320 0.178 0.000 0.218 233 A C 1.744 179.449 177.584 0.202 0.000 1.181 233 A CA 3.109 55.259 52.037 0.188 0.000 0.627 233 A CB -0.957 18.156 19.000 0.189 0.000 0.818 233 A HN -0.237 8.012 8.150 0.166 0.000 0.445 234 F N -0.446 119.542 119.950 0.064 0.000 2.134 234 F HA -0.389 4.171 4.527 0.056 0.000 0.299 234 F C 1.147 176.949 175.800 0.003 0.000 1.097 234 F CA 3.471 61.497 58.000 0.042 0.000 1.264 234 F CB 0.656 39.679 39.000 0.039 0.000 1.001 234 F HN -0.334 8.170 8.300 0.340 0.000 0.479 235 L N 0.034 121.276 121.223 0.031 0.000 2.012 235 L HA -0.428 3.804 4.340 -0.181 0.000 0.210 235 L C 1.001 177.782 176.870 -0.148 0.000 1.073 235 L CA 3.507 58.272 54.840 -0.125 0.000 0.748 235 L CB -0.414 41.548 42.059 -0.162 0.000 0.891 235 L HN -0.259 8.059 8.230 0.147 0.000 0.431 236 L N -3.332 117.866 121.223 -0.042 0.000 2.083 236 L HA -0.384 3.936 4.340 -0.034 0.000 0.209 236 L C 2.460 179.292 176.870 -0.064 0.000 1.083 236 L CA 2.667 57.504 54.840 -0.004 0.000 0.752 236 L CB -0.535 41.606 42.059 0.137 0.000 0.899 236 L HN -0.650 7.591 8.230 0.019 0.000 0.433 237 L N -1.661 119.487 121.223 -0.126 0.000 2.005 237 L HA -0.260 3.947 4.340 -0.222 0.000 0.207 237 L C 1.412 178.100 176.870 -0.304 0.000 1.072 237 L CA 2.987 57.683 54.840 -0.239 0.000 0.744 237 L CB 0.411 42.312 42.059 -0.262 0.000 0.895 237 L HN -0.613 7.561 8.230 -0.094 0.000 0.433 238 V N -6.618 113.045 119.914 -0.418 0.000 3.235 238 V HA -0.073 3.843 4.120 -0.340 0.000 0.259 238 V C 1.725 177.670 176.094 -0.249 0.000 1.133 238 V CA 1.275 63.334 62.300 -0.402 0.000 1.128 238 V CB -0.626 30.823 31.823 -0.623 0.000 0.757 238 V HN -0.271 7.631 8.190 -0.479 0.000 0.469 239 A N 1.580 124.276 122.820 -0.206 0.000 1.883 239 A HA -0.162 4.075 4.320 -0.138 0.000 0.217 239 A C 0.583 178.109 177.584 -0.097 0.000 1.186 239 A CA 2.864 54.818 52.037 -0.139 0.000 0.624 239 A CB -0.222 18.702 19.000 -0.127 0.000 0.822 239 A HN -0.291 7.728 8.150 -0.218 0.000 0.444 240 G N -5.929 102.821 108.800 -0.084 0.000 3.079 240 G HA2 0.148 4.087 3.960 -0.036 0.000 0.233 240 G HA3 0.148 4.099 3.960 -0.016 0.000 0.233 240 G C 0.479 175.352 174.900 -0.046 0.000 1.062 240 G CA -0.506 44.569 45.100 -0.042 0.000 0.809 240 G HN 0.002 8.231 8.290 -0.100 0.000 0.535 241 N N 1.970 120.620 118.700 -0.084 0.000 2.080 241 N HA -0.310 4.390 4.740 -0.067 0.000 0.189 241 N C 1.254 176.724 175.510 -0.065 0.000 1.036 241 N CA 3.730 56.729 53.050 -0.086 0.000 0.846 241 N CB -0.180 38.222 38.487 -0.142 0.000 1.015 241 N HN -0.486 7.828 8.380 -0.111 0.000 0.423 242 A N -2.716 120.063 122.820 -0.068 0.000 1.972 242 A HA -0.321 3.969 4.320 -0.050 0.000 0.219 242 A C 1.986 179.550 177.584 -0.033 0.000 1.169 242 A CA 2.989 54.995 52.037 -0.051 0.000 0.635 242 A CB -0.652 18.318 19.000 -0.051 0.000 0.810 242 A HN 0.544 8.645 8.150 -0.082 0.000 0.446 243 T N 0.757 115.292 114.554 -0.032 0.000 2.746 243 T HA -0.451 3.888 4.350 -0.019 0.000 0.267 243 T C 1.665 176.366 174.700 0.001 0.000 1.039 243 T CA 4.687 66.775 62.100 -0.020 0.000 1.142 243 T CB -0.295 68.554 68.868 -0.032 0.000 0.866 243 T HN -0.404 7.796 8.240 -0.040 0.016 0.444 244 M N 1.093 120.697 119.600 0.008 0.000 2.108 244 M HA -0.446 4.071 4.480 0.062 0.000 0.261 244 M C 1.696 178.004 176.300 0.014 0.000 1.066 244 M CA 2.185 57.503 55.300 0.030 0.000 1.107 244 M CB -1.216 31.395 32.600 0.018 0.000 1.356 244 M HN -0.218 8.071 8.290 -0.002 0.000 0.406 245 V N -0.230 119.674 119.914 -0.018 0.000 2.287 245 V HA -0.473 3.768 4.120 -0.050 -0.151 0.248 245 V C 2.387 178.486 176.094 0.008 0.000 1.053 245 V CA 3.883 66.165 62.300 -0.029 0.000 1.027 245 V CB -1.313 30.484 31.823 -0.044 0.000 0.646 245 V HN -0.157 8.017 8.190 -0.027 0.000 0.447 246 N N -0.583 118.123 118.700 0.011 0.000 2.120 246 N HA -0.262 4.488 4.740 0.017 0.000 0.188 246 N C 2.503 178.045 175.510 0.054 0.000 1.024 246 N CA 3.014 56.077 53.050 0.022 0.000 0.852 246 N CB -0.304 38.188 38.487 0.010 0.000 1.003 246 N HN -0.516 7.864 8.380 0.000 0.000 0.424 247 M N -0.533 119.114 119.600 0.077 0.000 2.117 247 M HA -0.279 4.274 4.480 0.122 0.000 0.262 247 M C 2.085 178.533 176.300 0.247 0.000 1.065 247 M CA 2.019 57.403 55.300 0.139 0.000 1.114 247 M CB -0.934 31.751 32.600 0.141 0.000 1.361 247 M HN -0.120 8.206 8.290 0.060 0.000 0.408 248 I N -0.502 120.206 120.570 0.230 0.000 2.142 248 I HA -0.568 3.927 4.170 0.541 0.000 0.240 248 I C 1.415 177.741 176.117 0.348 0.000 1.078 248 I CA 4.238 65.732 61.300 0.323 0.000 1.343 248 I CB -0.617 37.439 38.000 0.093 0.000 1.046 248 I HN -0.210 8.090 8.210 0.151 0.000 0.405 249 A N -0.482 122.449 122.820 0.185 0.000 1.877 249 A HA -0.301 4.117 4.320 0.163 0.000 0.216 249 A C 2.038 179.711 177.584 0.149 0.000 1.186 249 A CA 3.261 55.383 52.037 0.142 0.000 0.620 249 A CB -0.806 18.225 19.000 0.053 0.000 0.822 249 A HN -0.493 7.735 8.150 0.131 0.000 0.443 250 L N -2.938 118.351 121.223 0.110 0.000 2.083 250 L HA -0.438 3.913 4.340 0.017 0.000 0.209 250 L C 2.435 179.406 176.870 0.168 0.000 1.083 250 L CA 2.626 57.494 54.840 0.046 0.000 0.752 250 L CB -0.482 41.486 42.059 -0.152 0.000 0.899 250 L HN 0.216 8.505 8.230 0.098 0.000 0.433 251 G N -1.261 107.707 108.800 0.279 0.000 2.421 251 G HA2 -0.328 3.737 3.960 0.176 0.000 0.216 251 G HA3 -0.328 3.750 3.960 0.197 0.000 0.216 251 G C 1.298 176.409 174.900 0.352 0.000 1.171 251 G CA 2.209 47.467 45.100 0.262 0.000 0.775 251 G HN -0.178 8.307 8.290 0.325 0.000 0.543 252 V N 3.814 124.034 119.914 0.511 0.000 2.287 252 V HA -0.339 4.118 4.120 0.563 0.000 0.248 252 V C 2.396 178.640 176.094 0.250 0.000 1.053 252 V CA 3.230 65.792 62.300 0.436 0.000 1.027 252 V CB -0.826 31.206 31.823 0.348 0.000 0.646 252 V HN -0.489 8.042 8.190 0.569 0.000 0.447 253 A N -1.442 121.486 122.820 0.180 0.000 1.902 253 A HA -0.334 4.049 4.320 0.106 0.000 0.217 253 A C 2.072 179.735 177.584 0.132 0.000 1.181 253 A CA 3.409 55.521 52.037 0.126 0.000 0.623 253 A CB -0.709 18.347 19.000 0.093 0.000 0.818 253 A HN -0.051 8.209 8.150 0.184 0.000 0.443 254 T N 2.315 116.949 114.554 0.133 0.000 2.788 254 T HA -0.366 4.064 4.350 0.133 0.000 0.268 254 T C 1.756 176.487 174.700 0.051 0.000 1.044 254 T CA 5.222 67.356 62.100 0.056 0.000 1.139 254 T CB -0.016 68.730 68.868 -0.205 0.000 0.867 254 T HN -0.313 8.018 8.240 0.151 0.000 0.454 255 L N -0.041 121.198 121.223 0.026 0.000 2.093 255 L HA -0.296 4.001 4.340 -0.072 0.000 0.208 255 L C 1.420 178.296 176.870 0.011 0.000 1.085 255 L CA 3.029 57.844 54.840 -0.041 0.000 0.755 255 L CB -0.308 41.655 42.059 -0.159 0.000 0.904 255 L HN -0.400 7.871 8.230 0.069 0.000 0.435 256 A N -3.238 119.617 122.820 0.058 0.000 1.969 256 A HA -0.297 4.045 4.320 0.036 0.000 0.218 256 A C 1.630 179.231 177.584 0.028 0.000 1.169 256 A CA 2.086 54.153 52.037 0.050 0.000 0.635 256 A CB -0.262 18.779 19.000 0.067 0.000 0.810 256 A HN -0.598 7.604 8.150 0.087 0.000 0.445 257 Q N -2.324 117.493 119.800 0.030 0.000 2.083 257 Q HA -0.206 4.095 4.340 -0.065 0.000 0.198 257 Q C 1.125 177.026 176.000 -0.164 0.000 0.969 257 Q CA 2.379 58.133 55.803 -0.083 0.000 0.838 257 Q CB 0.913 29.559 28.738 -0.154 0.000 0.900 257 Q HN -0.458 7.727 8.270 0.066 0.124 0.436 258 H N -1.949 117.094 119.070 -0.045 0.000 2.572 258 H HA 0.380 4.928 4.556 -0.014 0.000 0.248 258 H C -1.616 173.691 175.328 -0.035 0.000 1.397 258 H CA -3.663 52.366 56.048 -0.031 0.000 1.319 258 H CB -0.592 29.155 29.762 -0.025 0.000 1.452 258 H HN -0.540 7.875 8.280 0.225 0.000 0.535 259 P HA -0.237 4.183 4.420 -0.000 0.000 0.217 259 P C 0.722 178.028 177.300 0.010 0.000 1.148 259 P CA 2.741 65.852 63.100 0.019 0.000 0.828 259 P CB 0.371 32.077 31.700 0.011 0.000 0.783 260 D N -5.355 115.067 120.400 0.036 0.000 2.224 260 D HA -0.223 4.422 4.640 0.007 0.000 0.205 260 D C 1.800 178.108 176.300 0.013 0.000 0.965 260 D CA 2.826 56.839 54.000 0.022 0.000 0.852 260 D CB -0.420 40.401 40.800 0.034 0.000 0.947 260 D HN 0.318 8.677 8.370 0.057 0.046 0.494 261 Q N -0.920 118.898 119.800 0.031 0.000 2.079 261 Q HA -0.292 4.068 4.340 0.034 0.000 0.200 261 Q C 2.302 178.258 176.000 -0.075 0.000 0.974 261 Q CA 2.765 58.579 55.803 0.018 0.000 0.840 261 Q CB -0.194 28.580 28.738 0.058 0.000 0.898 261 Q HN -0.500 7.791 8.270 0.062 0.016 0.430 262 L N 0.389 121.537 121.223 -0.126 0.000 2.046 262 L HA -0.377 3.739 4.340 -0.374 0.000 0.208 262 L C 1.316 178.068 176.870 -0.196 0.000 1.077 262 L CA 2.509 57.194 54.840 -0.259 0.000 0.747 262 L CB -0.868 41.024 42.059 -0.279 0.000 0.896 262 L HN -0.689 7.493 8.230 -0.081 0.000 0.432 263 A N -1.984 120.775 122.820 -0.102 0.000 1.908 263 A HA -0.467 3.811 4.320 -0.069 0.000 0.218 263 A C 2.243 179.795 177.584 -0.054 0.000 1.181 263 A CA 3.259 55.258 52.037 -0.065 0.000 0.627 263 A CB -0.890 18.093 19.000 -0.029 0.000 0.818 263 A HN -0.013 8.090 8.150 -0.078 0.000 0.445 264 Q N -1.493 118.281 119.800 -0.042 0.000 2.084 264 Q HA -0.346 3.988 4.340 -0.010 0.000 0.202 264 Q C 2.642 178.624 176.000 -0.031 0.000 0.978 264 Q CA 2.812 58.603 55.803 -0.020 0.000 0.844 264 Q CB -0.005 28.735 28.738 0.004 0.000 0.898 264 Q HN -0.558 7.688 8.270 -0.040 0.000 0.426 265 L N -0.342 120.834 121.223 -0.078 0.000 2.093 265 L HA -0.222 4.098 4.340 -0.033 0.000 0.208 265 L C 1.409 178.241 176.870 -0.062 0.000 1.085 265 L CA 2.405 57.192 54.840 -0.088 0.000 0.755 265 L CB -0.195 41.730 42.059 -0.223 0.000 0.904 265 L HN -0.279 7.887 8.230 -0.106 0.000 0.435 266 K N -2.270 118.074 120.400 -0.093 0.000 2.097 266 K HA -0.385 3.937 4.320 0.004 0.000 0.205 266 K C 2.367 178.966 176.600 -0.001 0.000 1.050 266 K CA 2.920 59.188 56.287 -0.032 0.000 0.938 266 K CB -0.132 32.342 32.500 -0.042 0.000 0.718 266 K HN -0.289 7.880 8.250 -0.135 0.000 0.442 267 A N -3.163 119.652 122.820 -0.008 0.000 2.066 267 A HA -0.098 4.227 4.320 0.009 0.000 0.218 267 A C 0.318 177.911 177.584 0.014 0.000 1.157 267 A CA 1.561 53.602 52.037 0.006 0.000 0.670 267 A CB 0.553 19.555 19.000 0.003 0.000 0.804 267 A HN -0.468 7.669 8.150 -0.021 0.000 0.453 268 N N -4.110 114.601 118.700 0.017 0.000 2.685 268 N HA 0.381 5.138 4.740 0.029 0.000 0.252 268 N C -2.496 173.039 175.510 0.042 0.000 1.261 268 N CA -2.152 50.915 53.050 0.029 0.000 0.768 268 N CB 0.770 39.276 38.487 0.032 0.000 1.304 268 N HN -0.634 7.610 8.380 0.009 0.141 0.536 269 P HA 0.041 4.587 4.420 0.076 -0.080 0.228 269 P C 0.784 178.132 177.300 0.081 0.000 1.151 269 P CA 1.248 64.390 63.100 0.069 0.000 0.770 269 P CB 0.299 32.039 31.700 0.066 0.000 0.786 270 S N 0.212 115.952 115.700 0.066 0.000 2.547 270 S HA -0.221 4.293 4.470 0.074 0.000 0.235 270 S C 1.195 175.847 174.600 0.087 0.000 0.980 270 S CA 2.939 61.182 58.200 0.071 0.000 0.941 270 S CB -0.944 62.288 63.200 0.054 0.000 0.763 270 S HN -0.358 8.111 8.310 0.056 -0.126 0.532 271 L N -0.168 121.112 121.223 0.095 0.000 2.610 271 L HA 0.049 4.458 4.340 0.116 0.000 0.232 271 L C 0.774 177.751 176.870 0.179 0.000 1.149 271 L CA 0.571 55.483 54.840 0.121 0.000 0.872 271 L CB -0.559 41.563 42.059 0.105 0.000 0.992 271 L HN -0.300 7.817 8.230 0.083 0.163 0.447 272 A N 0.767 123.698 122.820 0.186 0.000 1.908 272 A HA -0.203 4.317 4.320 0.335 0.000 0.218 272 A C -1.306 176.447 177.584 0.281 0.000 1.181 272 A CA 5.066 57.270 52.037 0.277 0.000 0.627 272 A CB -2.995 16.167 19.000 0.271 0.000 0.818 272 A HN -0.021 8.049 8.150 0.153 0.172 0.445 273 P HA -0.251 4.256 4.420 0.146 0.000 0.215 273 P C 1.319 178.690 177.300 0.119 0.000 1.157 273 P CA 2.765 65.947 63.100 0.137 0.000 0.868 273 P CB -0.336 31.415 31.700 0.085 0.000 0.788 274 Q N -2.095 117.789 119.800 0.140 0.000 2.172 274 Q HA -0.275 4.118 4.340 0.090 0.000 0.200 274 Q C 2.286 178.392 176.000 0.178 0.000 0.964 274 Q CA 2.692 58.584 55.803 0.148 0.000 0.855 274 Q CB -0.970 27.877 28.738 0.181 0.000 0.918 274 Q HN -0.585 7.774 8.270 0.149 0.000 0.444 275 F N 2.824 122.833 119.950 0.099 0.000 2.095 275 F HA -0.395 4.197 4.527 0.108 0.000 0.298 275 F C 1.515 177.381 175.800 0.111 0.000 1.104 275 F CA 3.615 61.677 58.000 0.104 0.000 1.232 275 F CB 0.209 39.256 39.000 0.078 0.000 0.987 275 F HN -0.257 8.256 8.300 0.356 0.000 0.475 276 V N -0.830 119.116 119.914 0.054 0.000 2.343 276 V HA -0.656 3.392 4.120 -0.121 0.000 0.247 276 V C 1.901 177.975 176.094 -0.034 0.000 1.051 276 V CA 4.699 67.002 62.300 0.006 0.000 1.036 276 V CB -0.372 31.574 31.823 0.204 0.000 0.654 276 V HN 0.080 8.421 8.190 0.252 0.000 0.451 277 E N -0.976 119.201 120.200 -0.038 0.000 2.058 277 E HA -0.399 3.877 4.350 -0.124 0.000 0.194 277 E C 2.551 179.158 176.600 0.012 0.000 0.997 277 E CA 3.198 59.521 56.400 -0.129 0.000 0.801 277 E CB -0.668 28.781 29.700 -0.417 0.000 0.746 277 E HN -0.381 7.973 8.360 -0.009 0.000 0.450 278 E N -0.459 119.776 120.200 0.059 0.000 2.106 278 E HA -0.245 4.206 4.350 0.168 0.000 0.192 278 E C 2.264 178.760 176.600 -0.174 0.000 0.984 278 E CA 2.391 58.728 56.400 -0.105 0.000 0.806 278 E CB -0.406 28.925 29.700 -0.614 0.000 0.750 278 E HN -0.627 7.745 8.360 0.019 0.000 0.458 279 L N -0.076 121.052 121.223 -0.158 0.000 2.046 279 L HA -0.354 4.162 4.340 0.292 0.000 0.208 279 L C 1.277 178.207 176.870 0.100 0.000 1.077 279 L CA 3.748 58.605 54.840 0.028 0.000 0.747 279 L CB -0.153 41.737 42.059 -0.282 0.000 0.896 279 L HN -0.081 7.966 8.230 -0.305 0.000 0.432 280 C N -3.534 115.798 119.300 0.053 0.000 2.448 280 C HA -0.161 4.317 4.460 0.029 0.000 0.280 280 C C 2.145 177.149 174.990 0.023 0.000 1.398 280 C CA 2.317 61.364 59.018 0.048 0.000 1.774 280 C CB -2.343 25.474 27.740 0.128 0.000 1.888 280 C HN -0.234 8.012 8.230 0.026 0.000 0.519 281 R N 0.684 121.209 120.500 0.041 0.000 2.057 281 R HA -0.244 4.070 4.340 -0.042 0.000 0.224 281 R C 1.774 178.061 176.300 -0.023 0.000 1.136 281 R CA 3.259 59.345 56.100 -0.023 0.000 0.968 281 R CB 0.074 30.335 30.300 -0.066 0.000 0.863 281 R HN -0.733 7.548 8.270 0.062 0.026 0.433 282 Y N -1.049 119.177 120.300 -0.124 0.000 2.200 282 Y HA -0.248 4.206 4.550 -0.160 0.000 0.290 282 Y C 0.204 175.997 175.900 -0.179 0.000 1.137 282 Y CA 2.741 60.748 58.100 -0.155 0.000 1.163 282 Y CB 1.285 39.685 38.460 -0.101 0.000 0.988 282 Y HN -0.277 8.079 8.280 0.127 0.000 0.518 283 H N -2.997 116.196 119.070 0.204 0.000 2.700 283 H HA 0.348 4.924 4.556 0.033 0.000 0.269 283 H C -0.750 174.590 175.328 0.021 0.000 1.222 283 H CA -1.567 54.542 56.048 0.102 0.000 1.254 283 H CB -0.822 29.046 29.762 0.176 0.000 1.413 283 H HN -0.344 8.085 8.280 0.249 0.000 0.507 284 T N 6.412 121.016 114.554 0.083 0.000 3.414 284 T HA -0.006 4.326 4.350 -0.030 0.000 0.304 284 T C -0.633 174.076 174.700 0.014 0.000 1.241 284 T CA 0.401 62.505 62.100 0.006 0.000 1.076 284 T CB -0.558 68.299 68.868 -0.019 0.000 1.134 284 T HN 0.124 8.401 8.240 0.062 0.000 0.759 285 A N 4.756 127.577 122.820 0.002 0.000 2.168 285 A HA -0.021 4.313 4.320 0.024 0.000 0.215 285 A C -0.717 176.852 177.584 -0.026 0.000 1.152 285 A CA 1.085 53.122 52.037 0.000 0.000 0.716 285 A CB 0.361 19.361 19.000 0.000 0.000 0.794 285 A HN -0.431 7.713 8.150 -0.010 0.000 0.465 286 S N -3.439 112.228 115.700 -0.056 0.000 2.622 286 S HA 0.096 4.703 4.470 -0.026 -0.153 0.283 286 S C -1.075 173.508 174.600 -0.028 0.000 1.197 286 S CA -1.157 57.016 58.200 -0.044 0.000 1.146 286 S CB -0.279 62.882 63.200 -0.065 0.000 1.007 286 S HN -0.517 7.704 8.310 -0.083 0.039 0.478 287 A N 5.346 128.170 122.820 0.007 0.000 2.431 287 A HA 0.479 4.996 4.320 0.005 -0.194 0.239 287 A C -0.976 176.642 177.584 0.056 0.000 1.230 287 A CA -0.045 52.009 52.037 0.029 0.000 0.928 287 A CB 1.925 20.967 19.000 0.070 0.000 1.006 287 A HN -0.002 8.400 8.150 0.013 -0.244 0.520 288 L N -3.908 117.346 121.223 0.051 0.000 3.122 288 L HA 0.141 4.552 4.340 0.118 0.000 0.274 288 L C -0.862 176.040 176.870 0.054 0.000 1.222 288 L CA -0.533 54.354 54.840 0.079 0.000 1.028 288 L CB -0.095 42.006 42.059 0.070 0.000 1.386 288 L HN 0.002 8.250 8.230 0.031 0.000 0.578 289 A N -1.209 121.630 122.820 0.031 0.000 2.220 289 A HA -0.002 4.341 4.320 0.039 0.000 0.211 289 A C 0.317 177.912 177.584 0.017 0.000 1.176 289 A CA 0.720 52.773 52.037 0.027 0.000 0.834 289 A CB 0.566 19.576 19.000 0.017 0.000 0.868 289 A HN -0.080 8.084 8.150 0.024 0.000 0.488 290 I N 0.708 121.282 120.570 0.006 0.000 2.224 290 I HA -0.042 4.120 4.170 -0.013 0.000 0.293 290 I C -1.757 174.342 176.117 -0.031 0.000 1.155 290 I CA -0.584 60.710 61.300 -0.010 0.000 1.297 290 I CB -1.710 36.286 38.000 -0.006 0.000 1.487 290 I HN -0.132 8.083 8.210 0.008 0.000 0.564 291 K N 5.203 125.585 120.400 -0.030 0.000 2.371 291 K HA 0.966 5.389 4.320 -0.134 -0.184 0.251 291 K C -1.033 175.535 176.600 -0.053 0.000 0.934 291 K CA -1.531 54.693 56.287 -0.104 0.000 0.798 291 K CB 3.757 36.148 32.500 -0.182 0.000 1.204 291 K HN -0.457 7.789 8.250 -0.006 0.000 0.427 292 R N -0.446 119.976 120.500 -0.131 0.000 2.781 292 R HA 0.847 5.440 4.340 0.133 -0.174 0.269 292 R C -1.601 174.680 176.300 -0.031 0.000 1.025 292 R CA -2.052 54.048 56.100 0.001 0.000 0.914 292 R CB 4.648 34.951 30.300 0.004 0.000 1.236 292 R HN 0.520 8.664 8.270 -0.209 0.000 0.465 293 T N 0.045 114.662 114.554 0.106 0.000 2.885 293 T HA 0.547 5.077 4.350 0.051 -0.150 0.285 293 T C -1.712 173.032 174.700 0.074 0.000 1.019 293 T CA -2.314 59.840 62.100 0.091 0.000 1.010 293 T CB 2.062 71.021 68.868 0.152 0.000 1.022 293 T HN 0.292 8.636 8.240 0.173 0.000 0.466 294 A N 6.687 129.547 122.820 0.067 0.000 2.409 294 A HA 0.192 4.539 4.320 0.044 0.000 0.267 294 A C -0.093 177.523 177.584 0.054 0.000 1.127 294 A CA -0.538 51.532 52.037 0.054 0.000 0.795 294 A CB 0.474 19.505 19.000 0.052 0.000 1.061 294 A HN 0.554 8.749 8.150 0.075 0.000 0.502 295 K N 3.843 124.269 120.400 0.043 0.000 2.155 295 K HA -0.158 4.188 4.320 0.044 0.000 0.203 295 K C 0.454 177.075 176.600 0.035 0.000 1.052 295 K CA 2.677 58.988 56.287 0.039 0.000 0.948 295 K CB 0.621 33.140 32.500 0.031 0.000 0.728 295 K HN 0.240 8.513 8.250 0.038 0.000 0.448 296 E N -3.895 116.325 120.200 0.033 0.000 2.445 296 E HA 0.171 4.538 4.350 0.029 0.000 0.279 296 E C -1.863 174.754 176.600 0.028 0.000 1.018 296 E CA -1.579 54.838 56.400 0.029 0.000 0.816 296 E CB 2.338 32.053 29.700 0.025 0.000 1.356 296 E HN -0.783 7.559 8.360 0.034 0.038 0.462 297 D N 0.330 120.743 120.400 0.022 0.000 2.472 297 D HA 0.227 5.055 4.640 0.009 -0.183 0.237 297 D C -0.464 175.843 176.300 0.011 0.000 1.141 297 D CA 1.049 55.056 54.000 0.010 0.000 0.875 297 D CB 0.365 41.167 40.800 0.004 0.000 1.192 297 D HN 0.172 8.554 8.370 0.021 0.000 0.450 298 V N -3.263 116.646 119.914 -0.007 0.000 2.733 298 V HA 0.492 4.631 4.120 0.033 0.000 0.306 298 V C -2.110 173.942 176.094 -0.071 0.000 1.084 298 V CA -1.903 60.407 62.300 0.016 0.000 0.905 298 V CB 3.072 34.961 31.823 0.111 0.000 1.010 298 V HN 0.531 8.703 8.190 -0.030 0.000 0.424 299 M N 6.792 126.335 119.600 -0.096 0.000 2.188 299 M HA 0.459 4.973 4.480 -0.209 -0.159 0.357 299 M C -0.276 175.845 176.300 -0.300 0.000 1.204 299 M CA 0.114 55.301 55.300 -0.188 0.000 1.095 299 M CB 1.190 33.698 32.600 -0.153 0.000 1.604 299 M HN 0.164 8.420 8.290 -0.056 0.000 0.464 300 I N 3.379 123.750 120.570 -0.332 0.000 2.476 300 I HA 0.267 4.122 4.170 -0.524 0.000 0.281 300 I C -0.082 175.859 176.117 -0.293 0.000 1.040 300 I CA -1.070 60.000 61.300 -0.383 0.000 1.094 300 I CB 1.213 39.036 38.000 -0.296 0.000 1.219 300 I HN 0.451 8.467 8.210 -0.323 0.000 0.450 301 G N 9.067 117.705 108.800 -0.270 0.000 2.583 301 G HA2 -0.469 3.392 3.960 -0.165 0.000 0.292 301 G HA3 -0.469 3.398 3.960 -0.155 0.000 0.292 301 G C -0.559 174.247 174.900 -0.156 0.000 1.203 301 G CA 1.467 46.459 45.100 -0.181 0.000 0.987 301 G HN 0.489 8.585 8.290 -0.324 0.000 0.554 302 D N 2.797 123.125 120.400 -0.121 0.000 2.336 302 D HA 0.038 4.620 4.640 -0.096 0.000 0.228 302 D C -0.737 175.492 176.300 -0.119 0.000 1.120 302 D CA -0.052 53.890 54.000 -0.097 0.000 0.839 302 D CB -0.393 40.374 40.800 -0.054 0.000 0.932 302 D HN 0.287 8.593 8.370 -0.107 0.000 0.509 303 K N -0.408 119.870 120.400 -0.203 0.000 2.318 303 K HA 0.380 4.574 4.320 -0.211 0.000 0.249 303 K C -1.924 174.459 176.600 -0.362 0.000 0.942 303 K CA -2.016 54.086 56.287 -0.309 0.000 0.808 303 K CB 2.571 34.734 32.500 -0.562 0.000 1.189 303 K HN -0.374 7.660 8.250 -0.222 0.083 0.428 304 L N 3.316 124.349 121.223 -0.317 0.000 2.257 304 L HA 0.205 4.396 4.340 -0.249 0.000 0.290 304 L C -0.574 176.064 176.870 -0.387 0.000 1.044 304 L CA -0.713 53.969 54.840 -0.263 0.000 0.810 304 L CB 1.068 43.061 42.059 -0.111 0.000 1.193 304 L HN 0.361 8.444 8.230 -0.246 0.000 0.425 305 V N 9.065 128.727 119.914 -0.419 0.000 2.368 305 V HA 0.091 3.971 4.120 -0.400 0.000 0.266 305 V C -0.631 175.423 176.094 -0.067 0.000 1.045 305 V CA -1.176 60.908 62.300 -0.359 0.000 0.899 305 V CB -0.352 31.226 31.823 -0.408 0.000 1.006 305 V HN 0.733 8.707 8.190 -0.361 0.000 0.470 306 R N 6.815 127.354 120.500 0.065 0.000 2.560 306 R HA 0.135 4.659 4.340 0.036 -0.163 0.270 306 R C -0.252 176.092 176.300 0.073 0.000 1.074 306 R CA -0.863 55.278 56.100 0.068 0.000 1.140 306 R CB 1.304 31.659 30.300 0.093 0.000 1.073 306 R HN 0.157 8.814 8.270 0.155 -0.294 0.527 307 A N 1.391 124.242 122.820 0.053 0.000 2.587 307 A HA -0.371 4.094 4.320 0.051 -0.114 0.235 307 A C -0.090 177.532 177.584 0.064 0.000 1.044 307 A CA 1.233 53.301 52.037 0.052 0.000 0.754 307 A CB -0.140 18.884 19.000 0.041 0.000 0.968 307 A HN -0.127 8.342 8.150 0.043 -0.293 0.509 308 N N -4.097 114.643 118.700 0.067 0.000 2.850 308 N HA -0.557 4.227 4.740 0.072 0.000 0.249 308 N C -1.110 174.448 175.510 0.079 0.000 1.060 308 N CA 1.882 54.974 53.050 0.069 0.000 0.825 308 N CB -1.624 36.897 38.487 0.056 0.000 1.132 308 N HN 0.498 8.917 8.380 0.065 0.000 0.564 309 E N -1.497 118.768 120.200 0.108 0.000 2.242 309 E HA 0.261 4.669 4.350 0.096 0.000 0.275 309 E C -0.602 176.075 176.600 0.128 0.000 1.002 309 E CA -1.010 55.475 56.400 0.141 0.000 0.841 309 E CB 2.601 32.469 29.700 0.279 0.000 1.109 309 E HN -0.821 7.541 8.360 0.110 0.064 0.394 310 G N -0.081 108.763 108.800 0.074 0.000 2.476 310 G HA2 0.638 4.734 3.960 -0.028 0.000 0.286 310 G HA3 0.638 4.649 3.960 -0.084 -0.101 0.286 310 G C -2.095 172.838 174.900 0.055 0.000 1.177 310 G CA -0.893 44.203 45.100 -0.007 0.000 0.870 310 G HN 0.421 8.739 8.290 0.046 0.000 0.528 311 I N 0.649 121.201 120.570 -0.030 0.000 2.569 311 I HA 0.590 4.997 4.170 0.082 -0.188 0.290 311 I C -1.550 174.506 176.117 -0.103 0.000 1.088 311 I CA -0.696 60.609 61.300 0.007 0.000 1.047 311 I CB 4.133 42.156 38.000 0.038 0.000 1.237 311 I HN 0.292 8.434 8.210 -0.113 0.000 0.421 312 I N 5.409 125.908 120.570 -0.119 0.000 2.389 312 I HA 0.447 4.668 4.170 -0.131 -0.129 0.288 312 I C -2.006 174.037 176.117 -0.122 0.000 0.999 312 I CA -1.445 59.762 61.300 -0.156 0.000 1.129 312 I CB 3.004 40.841 38.000 -0.273 0.000 1.288 312 I HN 0.847 8.999 8.210 -0.097 0.000 0.444 313 A N 8.063 130.833 122.820 -0.083 0.000 2.256 313 A HA 0.552 4.962 4.320 -0.082 -0.138 0.317 313 A C -1.232 176.294 177.584 -0.097 0.000 1.318 313 A CA -1.854 50.137 52.037 -0.077 0.000 0.894 313 A CB 1.399 20.371 19.000 -0.048 0.000 1.165 313 A HN 0.706 8.813 8.150 -0.072 0.000 0.525 314 S N 4.846 120.452 115.700 -0.157 0.000 2.423 314 S HA 0.097 4.485 4.470 -0.136 0.000 0.302 314 S C 0.944 175.423 174.600 -0.201 0.000 1.143 314 S CA -1.681 56.384 58.200 -0.224 0.000 1.080 314 S CB 0.500 63.374 63.200 -0.545 0.000 1.081 314 S HN -0.042 8.167 8.310 -0.168 0.000 0.522 315 N N 9.021 127.649 118.700 -0.120 0.000 2.309 315 N HA -0.377 4.303 4.740 -0.099 0.000 0.182 315 N C 1.596 177.055 175.510 -0.085 0.000 1.018 315 N CA 2.979 55.975 53.050 -0.089 0.000 0.876 315 N CB -0.567 37.893 38.487 -0.046 0.000 0.972 315 N HN 0.234 8.561 8.380 -0.089 0.000 0.434 316 Q N 1.728 121.461 119.800 -0.112 0.000 2.050 316 Q HA -0.304 4.006 4.340 -0.050 0.000 0.202 316 Q C 1.933 177.853 176.000 -0.133 0.000 0.980 316 Q CA 3.033 58.784 55.803 -0.087 0.000 0.840 316 Q CB -0.341 28.391 28.738 -0.010 0.000 0.898 316 Q HN -0.133 8.046 8.270 -0.115 0.022 0.424 317 S N -0.275 115.216 115.700 -0.348 0.000 2.368 317 S HA -0.354 4.017 4.470 -0.165 0.000 0.225 317 S C 2.068 176.620 174.600 -0.079 0.000 1.030 317 S CA 2.896 60.917 58.200 -0.299 0.000 0.999 317 S CB -0.133 62.692 63.200 -0.625 0.000 0.844 317 S HN -0.588 7.408 8.310 -0.524 0.000 0.459 318 A N 1.480 124.264 122.820 -0.060 0.000 1.940 318 A HA -0.239 4.148 4.320 0.112 0.000 0.219 318 A C 2.207 179.959 177.584 0.281 0.000 1.176 318 A CA 2.771 54.864 52.037 0.094 0.000 0.631 318 A CB -0.723 18.274 19.000 -0.005 0.000 0.814 318 A HN -0.249 7.822 8.150 -0.131 0.000 0.446 319 N N -4.027 114.769 118.700 0.161 0.000 2.550 319 N HA -0.108 4.759 4.740 0.212 0.000 0.186 319 N C -0.268 175.272 175.510 0.052 0.000 1.110 319 N CA 1.690 54.801 53.050 0.102 0.000 0.912 319 N CB 0.030 38.494 38.487 -0.038 0.000 0.968 319 N HN -0.411 7.987 8.380 0.063 0.020 0.448 320 R N -4.574 115.987 120.500 0.102 0.000 2.509 320 R HA 0.260 4.641 4.340 0.068 0.000 0.300 320 R C -1.158 175.227 176.300 0.142 0.000 0.985 320 R CA -2.572 53.580 56.100 0.087 0.000 1.092 320 R CB -0.128 30.191 30.300 0.031 0.000 1.237 320 R HN -0.599 7.546 8.270 0.093 0.180 0.546 321 D N 1.287 121.816 120.400 0.214 0.000 2.338 321 D HA -0.068 4.626 4.640 0.090 0.000 0.255 321 D C 0.053 176.401 176.300 0.079 0.000 1.237 321 D CA -0.361 53.714 54.000 0.125 0.000 0.883 321 D CB 0.648 41.516 40.800 0.113 0.000 1.087 321 D HN -0.715 7.680 8.370 0.308 0.160 0.485 322 E N 7.177 127.403 120.200 0.044 0.000 2.265 322 E HA -0.268 4.270 4.350 0.034 -0.167 0.196 322 E C 1.464 178.041 176.600 -0.038 0.000 0.996 322 E CA 2.376 58.785 56.400 0.016 0.000 0.832 322 E CB -0.341 29.366 29.700 0.013 0.000 0.756 322 E HN 0.485 8.873 8.360 0.046 0.000 0.491 323 E N -1.387 118.778 120.200 -0.059 0.000 2.274 323 E HA -0.226 4.075 4.350 -0.081 0.000 0.194 323 E C 0.787 177.275 176.600 -0.188 0.000 0.996 323 E CA 2.186 58.528 56.400 -0.098 0.000 0.840 323 E CB 0.128 29.783 29.700 -0.076 0.000 0.772 323 E HN -0.608 7.955 8.360 -0.039 -0.226 0.491 324 V N -3.061 116.676 119.914 -0.296 0.000 2.743 324 V HA -0.072 3.744 4.120 -0.507 0.000 0.237 324 V C 0.313 175.994 176.094 -0.688 0.000 1.113 324 V CA 1.666 63.599 62.300 -0.612 0.000 1.141 324 V CB 1.843 33.068 31.823 -0.997 0.000 0.873 324 V HN -0.606 7.291 8.190 -0.230 0.155 0.486 325 F N 0.080 119.959 119.950 -0.119 0.000 2.325 325 F HA 0.153 4.577 4.527 -0.170 0.000 0.369 325 F C -1.275 174.451 175.800 -0.124 0.000 1.095 325 F CA -1.698 56.218 58.000 -0.141 0.000 1.082 325 F CB 0.369 39.289 39.000 -0.133 0.000 1.289 325 F HN -0.241 7.907 8.300 -0.253 0.000 0.462 326 E N 4.664 124.862 120.200 -0.004 0.000 2.414 326 E HA -0.239 4.097 4.350 -0.023 0.000 0.263 326 E C -0.100 176.488 176.600 -0.021 0.000 1.000 326 E CA 1.007 57.391 56.400 -0.027 0.000 0.914 326 E CB 0.788 30.456 29.700 -0.054 0.000 0.948 326 E HN 0.537 8.877 8.360 -0.034 0.000 0.444 327 N N 3.419 122.113 118.700 -0.009 0.000 2.688 327 N HA -0.259 4.486 4.740 0.008 0.000 0.258 327 N C -1.163 174.352 175.510 0.008 0.000 1.016 327 N CA 0.518 53.566 53.050 -0.002 0.000 0.747 327 N CB -1.612 36.865 38.487 -0.018 0.000 0.895 327 N HN 0.762 9.137 8.380 -0.008 0.000 0.543 328 P HA -0.042 4.394 4.420 0.027 0.000 0.223 328 P C -0.217 177.115 177.300 0.053 0.000 1.151 328 P CA 1.784 64.910 63.100 0.044 0.000 0.787 328 P CB 0.103 31.852 31.700 0.083 0.000 0.788 329 D N -3.480 116.963 120.400 0.072 0.000 2.339 329 D HA 0.031 4.727 4.640 0.094 0.000 0.217 329 D C -0.440 176.014 176.300 0.258 0.000 1.050 329 D CA 0.045 54.118 54.000 0.122 0.000 0.856 329 D CB -0.706 40.138 40.800 0.072 0.000 0.922 329 D HN 0.177 8.540 8.370 0.058 0.041 0.518 330 E N 0.355 120.657 120.200 0.170 0.000 2.227 330 E HA 0.087 4.553 4.350 0.193 0.000 0.282 330 E C -1.916 174.705 176.600 0.036 0.000 1.015 330 E CA -0.912 55.568 56.400 0.132 0.000 0.823 330 E CB 1.404 31.126 29.700 0.036 0.000 1.081 330 E HN -0.744 7.610 8.360 0.103 0.067 0.396 331 F N 7.553 127.356 119.950 -0.245 0.000 2.444 331 F HA 0.079 4.401 4.527 -0.568 -0.135 0.360 331 F C -1.240 174.324 175.800 -0.394 0.000 1.106 331 F CA 0.426 58.060 58.000 -0.610 0.000 1.170 331 F CB 0.510 38.802 39.000 -1.179 0.000 1.113 331 F HN 0.496 8.850 8.300 0.090 0.000 0.521 332 N N 9.100 127.389 118.700 -0.685 0.000 2.577 332 N HA 0.303 4.912 4.740 -0.218 0.000 0.275 332 N C 0.006 175.253 175.510 -0.438 0.000 1.091 332 N CA -0.402 52.417 53.050 -0.385 0.000 0.843 332 N CB 2.031 40.363 38.487 -0.259 0.000 1.295 332 N HN 0.455 8.645 8.380 -0.919 -0.362 0.530 333 M N 4.000 123.462 119.600 -0.230 0.000 2.446 333 M HA -0.161 4.226 4.480 -0.156 0.000 0.263 333 M C -1.032 175.274 176.300 0.011 0.000 1.066 333 M CA 3.335 58.600 55.300 -0.058 0.000 1.087 333 M CB 0.136 32.868 32.600 0.220 0.000 1.406 333 M HN 0.079 8.649 8.290 -0.088 -0.333 0.459 334 N N -3.049 115.632 118.700 -0.031 0.000 2.276 334 N HA 0.023 4.790 4.740 0.045 0.000 0.212 334 N C -0.668 174.795 175.510 -0.077 0.000 1.127 334 N CA -0.577 52.468 53.050 -0.008 0.000 0.834 334 N CB -0.271 38.215 38.487 -0.002 0.000 1.014 334 N HN -0.408 7.890 8.380 -0.060 0.046 0.491 335 R N 1.018 121.398 120.500 -0.200 0.000 2.566 335 R HA -0.254 3.870 4.340 -0.360 0.000 0.273 335 R C -0.359 175.723 176.300 -0.364 0.000 0.981 335 R CA 0.848 56.688 56.100 -0.433 0.000 1.091 335 R CB 0.720 30.472 30.300 -0.913 0.000 0.924 335 R HN -0.677 7.379 8.270 -0.198 0.095 0.411 336 K N 7.695 127.920 120.400 -0.292 0.000 2.273 336 K HA -0.060 4.249 4.320 -0.019 0.000 0.287 336 K C -0.411 176.089 176.600 -0.167 0.000 1.089 336 K CA -0.524 55.686 56.287 -0.128 0.000 0.909 336 K CB -0.168 32.290 32.500 -0.070 0.000 1.123 336 K HN 0.261 8.341 8.250 -0.283 0.000 0.473 337 W N 5.869 127.193 121.300 0.040 0.000 2.272 337 W HA 0.068 4.804 4.660 0.127 0.000 0.318 337 W C -1.152 175.396 176.519 0.048 0.000 1.255 337 W CA -1.862 55.531 57.345 0.080 0.000 1.200 337 W CB -0.234 29.275 29.460 0.081 0.000 1.170 337 W HN -0.063 8.290 8.180 0.289 0.000 0.549 338 P HA 0.193 4.639 4.420 0.043 0.000 0.279 338 P C -1.857 175.508 177.300 0.108 0.000 1.282 338 P CA -1.396 61.747 63.100 0.072 0.000 0.788 338 P CB -0.143 31.486 31.700 -0.120 0.000 1.139 339 P HA -0.057 4.413 4.420 0.083 0.000 0.221 339 P C -0.734 176.607 177.300 0.069 0.000 1.150 339 P CA 0.785 63.920 63.100 0.058 0.000 0.800 339 P CB 0.223 31.941 31.700 0.030 0.000 0.787 340 Q N -0.452 119.346 119.800 -0.003 0.000 2.304 340 Q HA -0.004 4.384 4.340 0.080 0.000 0.260 340 Q C -0.676 175.419 176.000 0.159 0.000 0.965 340 Q CA 0.403 56.204 55.803 -0.004 0.000 0.898 340 Q CB 0.173 28.707 28.738 -0.339 0.000 1.196 340 Q HN -0.385 7.802 8.270 -0.072 0.039 0.402 341 D N 3.715 124.288 120.400 0.289 0.000 2.424 341 D HA 0.064 4.884 4.640 0.301 0.000 0.244 341 D C -1.236 175.381 176.300 0.528 0.000 1.134 341 D CA -1.239 52.980 54.000 0.365 0.000 0.881 341 D CB -0.135 40.910 40.800 0.408 0.000 1.191 341 D HN -0.073 8.473 8.370 0.292 0.000 0.445 342 P HA -0.045 4.826 4.420 0.610 -0.085 0.269 342 P C -1.603 175.882 177.300 0.308 0.000 1.215 342 P CA 0.187 63.547 63.100 0.434 0.000 0.780 342 P CB 1.232 33.063 31.700 0.219 0.000 0.898 343 L N -1.865 119.495 121.223 0.227 0.000 3.017 343 L HA 0.430 4.896 4.340 0.210 0.000 0.255 343 L C 2.096 179.014 176.870 0.080 0.000 1.247 343 L CA -1.009 53.921 54.840 0.150 0.000 1.038 343 L CB -0.388 41.689 42.059 0.030 0.000 1.380 343 L HN 0.133 8.849 8.230 0.213 -0.358 0.548 344 G N 1.063 109.891 108.800 0.046 0.000 2.462 344 G HA2 -0.269 3.601 3.960 -0.150 0.000 0.220 344 G HA3 -0.269 3.664 3.960 -0.233 -0.113 0.220 344 G C 0.071 174.752 174.900 -0.365 0.000 1.121 344 G CA 1.860 46.861 45.100 -0.167 0.000 0.758 344 G HN 0.284 8.634 8.290 0.100 0.000 0.559 345 F N -1.350 118.630 119.950 0.050 0.000 2.647 345 F HA 0.158 4.702 4.527 0.027 0.000 0.300 345 F C -0.482 175.356 175.800 0.063 0.000 1.106 345 F CA -1.029 56.993 58.000 0.037 0.000 1.313 345 F CB -0.013 38.989 39.000 0.004 0.000 1.007 345 F HN -0.449 7.966 8.300 0.255 0.039 0.536 346 G N 0.122 109.031 108.800 0.182 0.000 2.593 346 G HA2 -0.413 3.634 3.960 0.145 0.000 0.237 346 G HA3 -0.413 3.650 3.960 0.170 0.000 0.237 346 G C -2.414 172.679 174.900 0.322 0.000 1.312 346 G CA 0.097 45.312 45.100 0.191 0.000 0.896 346 G HN -0.595 7.593 8.290 0.128 0.178 0.574 347 F N -0.352 119.636 119.950 0.063 0.000 2.744 347 F HA 0.090 4.654 4.527 0.062 0.000 0.311 347 F C -1.880 173.951 175.800 0.051 0.000 1.144 347 F CA -0.481 57.549 58.000 0.050 0.000 0.938 347 F CB 2.367 41.375 39.000 0.013 0.000 1.292 347 F HN -0.168 8.286 8.300 0.258 0.000 0.444 348 G N 4.465 113.002 108.800 -0.438 0.000 2.632 348 G HA2 -0.366 3.384 3.960 -0.351 0.000 0.224 348 G HA3 -0.366 3.549 3.960 -0.075 0.000 0.224 348 G C 0.604 175.438 174.900 -0.110 0.000 1.341 348 G CA 0.249 45.208 45.100 -0.235 0.000 0.880 348 G HN 0.203 7.874 8.290 -1.032 0.000 0.566 349 D N 2.364 122.734 120.400 -0.049 0.000 2.218 349 D HA -0.153 4.468 4.640 -0.030 0.000 0.204 349 D C 0.393 176.700 176.300 0.011 0.000 0.976 349 D CA 2.286 56.269 54.000 -0.027 0.000 0.853 349 D CB -0.207 40.574 40.800 -0.031 0.000 0.939 349 D HN 0.382 8.729 8.370 -0.038 0.000 0.481 350 H N -4.231 114.852 119.070 0.022 0.000 2.547 350 H HA 0.001 4.667 4.556 0.183 0.000 0.266 350 H C -0.438 174.949 175.328 0.098 0.000 0.988 350 H CA 0.459 56.546 56.048 0.065 0.000 1.147 350 H CB 0.417 30.158 29.762 -0.035 0.000 1.365 350 H HN -0.063 8.261 8.280 0.120 0.028 0.589 351 R N 0.427 121.012 120.500 0.143 0.000 2.566 351 R HA -0.365 4.183 4.340 0.155 -0.114 0.273 351 R C 0.365 176.729 176.300 0.105 0.000 0.981 351 R CA 0.730 56.901 56.100 0.118 0.000 1.091 351 R CB -0.035 30.289 30.300 0.040 0.000 0.924 351 R HN -0.790 7.365 8.270 0.097 0.173 0.411 352 C N 7.264 126.648 119.300 0.140 0.000 2.298 352 C HA -0.152 4.381 4.460 0.122 0.000 0.395 352 C C 1.597 176.578 174.990 -0.015 0.000 1.526 352 C CA 1.224 60.312 59.018 0.116 0.000 1.458 352 C CB -0.942 26.965 27.740 0.278 0.000 2.506 352 C HN 0.095 8.438 8.230 0.188 0.000 0.604 353 I N 8.128 128.672 120.570 -0.044 0.000 2.335 353 I HA -0.338 3.759 4.170 -0.122 0.000 0.251 353 I C -0.053 175.898 176.117 -0.276 0.000 1.129 353 I CA 2.431 63.625 61.300 -0.177 0.000 1.402 353 I CB 0.365 38.208 38.000 -0.261 0.000 1.069 353 I HN 0.739 8.958 8.210 0.015 0.000 0.424 354 A N -2.678 119.995 122.820 -0.245 0.000 2.415 354 A HA 0.068 4.368 4.320 -0.033 0.000 0.248 354 A C 0.172 177.675 177.584 -0.136 0.000 1.299 354 A CA -0.841 51.122 52.037 -0.123 0.000 0.899 354 A CB -0.379 18.587 19.000 -0.057 0.000 0.997 354 A HN -0.612 7.393 8.150 -0.170 0.043 0.506 355 E N 0.846 120.820 120.200 -0.377 0.000 2.070 355 E HA -0.484 3.151 4.350 -1.192 0.000 0.197 355 E C 0.863 177.052 176.600 -0.685 0.000 1.004 355 E CA 3.922 59.800 56.400 -0.870 0.000 0.805 355 E CB -0.022 29.095 29.700 -0.972 0.000 0.744 355 E HN -0.586 7.498 8.360 -0.342 0.071 0.451 356 H N -2.525 116.429 119.070 -0.193 0.000 2.357 356 H HA -0.185 4.284 4.556 -0.145 0.000 0.301 356 H C 2.498 177.811 175.328 -0.025 0.000 1.082 356 H CA 2.846 58.833 56.048 -0.101 0.000 1.342 356 H CB -0.760 28.981 29.762 -0.035 0.000 1.389 356 H HN 0.196 8.016 8.280 -0.768 0.000 0.511 357 L N 0.423 121.730 121.223 0.140 0.000 2.017 357 L HA -0.392 4.038 4.340 0.150 0.000 0.208 357 L C 1.119 178.057 176.870 0.113 0.000 1.073 357 L CA 3.008 57.943 54.840 0.159 0.000 0.745 357 L CB -0.761 41.462 42.059 0.273 0.000 0.894 357 L HN -0.228 8.096 8.230 0.157 0.000 0.432 358 A N -1.346 121.526 122.820 0.087 0.000 1.883 358 A HA -0.328 4.085 4.320 0.155 0.000 0.217 358 A C 2.141 179.810 177.584 0.141 0.000 1.186 358 A CA 3.154 55.278 52.037 0.144 0.000 0.624 358 A CB -0.648 18.522 19.000 0.283 0.000 0.822 358 A HN 0.335 8.516 8.150 0.052 0.000 0.444 359 K N -2.318 118.106 120.400 0.041 0.000 2.097 359 K HA -0.394 4.020 4.320 0.157 0.000 0.206 359 K C 1.983 178.649 176.600 0.110 0.000 1.049 359 K CA 3.036 59.371 56.287 0.080 0.000 0.933 359 K CB 0.001 32.491 32.500 -0.016 0.000 0.717 359 K HN -0.355 7.845 8.250 -0.083 0.000 0.442 360 A N -0.890 121.984 122.820 0.091 0.000 1.898 360 A HA -0.176 4.199 4.320 0.092 0.000 0.216 360 A C 2.397 180.037 177.584 0.092 0.000 1.181 360 A CA 2.806 54.898 52.037 0.091 0.000 0.620 360 A CB -0.599 18.450 19.000 0.082 0.000 0.819 360 A HN -0.320 7.877 8.150 0.079 0.000 0.442 361 E N -0.778 119.476 120.200 0.090 0.000 2.051 361 E HA -0.395 3.972 4.350 0.028 0.000 0.192 361 E C 2.610 179.263 176.600 0.089 0.000 0.991 361 E CA 3.157 59.593 56.400 0.060 0.000 0.799 361 E CB -0.125 29.605 29.700 0.049 0.000 0.748 361 E HN -0.296 8.123 8.360 0.097 0.000 0.449 362 L N -2.193 119.133 121.223 0.172 0.000 2.056 362 L HA -0.319 4.191 4.340 0.284 0.000 0.207 362 L C 2.171 179.264 176.870 0.371 0.000 1.078 362 L CA 3.028 58.055 54.840 0.312 0.000 0.749 362 L CB -0.189 42.104 42.059 0.389 0.000 0.901 362 L HN -0.018 8.316 8.230 0.173 0.000 0.433 363 T N -2.483 112.237 114.554 0.277 0.000 2.788 363 T HA -0.383 4.181 4.350 0.358 0.000 0.268 363 T C 2.117 176.934 174.700 0.196 0.000 1.044 363 T CA 4.108 66.368 62.100 0.265 0.000 1.139 363 T CB -0.376 68.604 68.868 0.187 0.000 0.867 363 T HN 0.083 8.458 8.240 0.225 0.000 0.454 364 T N 4.913 119.539 114.554 0.120 0.000 2.708 364 T HA -0.360 4.029 4.350 0.064 0.000 0.266 364 T C 1.779 176.500 174.700 0.035 0.000 1.037 364 T CA 4.772 66.909 62.100 0.063 0.000 1.146 364 T CB -0.057 68.826 68.868 0.025 0.000 0.865 364 T HN -0.467 7.843 8.240 0.115 0.000 0.435 365 V N 1.862 121.772 119.914 -0.008 0.000 2.255 365 V HA -0.565 3.541 4.120 -0.022 0.000 0.247 365 V C 1.486 177.437 176.094 -0.238 0.000 1.051 365 V CA 4.739 66.952 62.300 -0.145 0.000 1.018 365 V CB -0.036 31.580 31.823 -0.346 0.000 0.641 365 V HN -0.284 7.914 8.190 0.013 0.000 0.445 366 F N -4.482 115.586 119.950 0.196 0.000 2.780 366 F HA -0.128 4.518 4.527 0.199 0.000 0.299 366 F C 0.956 176.841 175.800 0.141 0.000 1.146 366 F CA 2.402 60.516 58.000 0.189 0.000 1.428 366 F CB -0.010 39.139 39.000 0.248 0.000 1.115 366 F HN -0.141 8.236 8.300 0.127 0.000 0.583 367 S N -3.079 112.743 115.700 0.205 0.000 2.556 367 S HA 0.026 4.588 4.470 0.153 0.000 0.216 367 S C 0.560 175.202 174.600 0.070 0.000 0.970 367 S CA 1.394 59.676 58.200 0.137 0.000 0.912 367 S CB 0.718 63.986 63.200 0.114 0.000 0.790 367 S HN -0.269 8.109 8.310 0.180 0.040 0.504 368 T N 1.685 116.252 114.554 0.023 0.000 3.098 368 T HA 0.220 4.543 4.350 -0.045 0.000 0.246 368 T C 0.966 175.581 174.700 -0.142 0.000 0.983 368 T CA 1.581 63.648 62.100 -0.055 0.000 1.094 368 T CB 1.642 70.472 68.868 -0.063 0.000 1.035 368 T HN -0.765 7.323 8.240 0.025 0.167 0.456 369 L N 2.113 123.206 121.223 -0.216 0.000 2.013 369 L HA -0.351 3.701 4.340 -0.480 0.000 0.212 369 L C 0.430 177.037 176.870 -0.439 0.000 1.073 369 L CA 3.985 58.556 54.840 -0.448 0.000 0.753 369 L CB 0.069 41.737 42.059 -0.652 0.000 0.890 369 L HN -0.090 8.039 8.230 -0.168 0.000 0.432 370 Y N -7.323 112.948 120.300 -0.049 0.000 2.482 370 Y HA 0.076 4.808 4.550 0.022 -0.169 0.270 370 Y C 1.589 177.468 175.900 -0.035 0.000 1.152 370 Y CA 1.094 59.188 58.100 -0.010 0.000 1.292 370 Y CB -0.691 37.775 38.460 0.009 0.000 1.070 370 Y HN -0.106 8.195 8.280 0.036 0.000 0.528 371 Q N -0.799 119.018 119.800 0.027 0.000 2.083 371 Q HA -0.209 4.134 4.340 0.005 0.000 0.198 371 Q C 1.535 177.453 176.000 -0.136 0.000 0.969 371 Q CA 2.236 58.018 55.803 -0.034 0.000 0.838 371 Q CB -0.412 28.302 28.738 -0.040 0.000 0.900 371 Q HN -0.517 7.763 8.270 0.017 0.000 0.436 372 K N -0.712 119.513 120.400 -0.291 0.000 2.026 372 K HA -0.161 3.873 4.320 -0.477 0.000 0.208 372 K C -0.105 176.132 176.600 -0.605 0.000 1.048 372 K CA 2.045 57.981 56.287 -0.584 0.000 0.929 372 K CB 0.802 32.733 32.500 -0.948 0.000 0.713 372 K HN -0.487 7.596 8.250 -0.279 0.000 0.439 373 F N -3.240 116.610 119.950 -0.166 0.000 2.531 373 F HA 0.477 4.970 4.527 -0.056 0.000 0.333 373 F C -1.704 174.099 175.800 0.004 0.000 1.292 373 F CA -3.198 54.734 58.000 -0.114 0.000 1.184 373 F CB 0.659 39.508 39.000 -0.252 0.000 1.426 373 F HN -0.542 7.612 8.300 -0.242 0.000 0.559 374 P HA 0.017 4.723 4.420 0.239 -0.143 0.225 374 P C -1.081 176.342 177.300 0.206 0.000 1.148 374 P CA 1.348 64.564 63.100 0.193 0.000 0.779 374 P CB 0.226 31.994 31.700 0.114 0.000 0.780 375 D N -3.602 116.919 120.400 0.202 0.000 2.463 375 D HA 0.046 4.770 4.640 0.140 0.000 0.224 375 D C -0.666 175.735 176.300 0.168 0.000 1.174 375 D CA -0.878 53.218 54.000 0.159 0.000 0.829 375 D CB -0.399 40.471 40.800 0.116 0.000 0.993 375 D HN 0.063 8.521 8.370 0.224 0.046 0.497 376 L N 2.338 123.694 121.223 0.221 0.000 2.499 376 L HA -0.138 4.495 4.340 0.142 -0.208 0.273 376 L C -0.838 176.133 176.870 0.167 0.000 1.195 376 L CA 1.060 56.001 54.840 0.169 0.000 0.882 376 L CB 0.540 42.655 42.059 0.092 0.000 1.133 376 L HN -0.750 7.568 8.230 0.266 0.072 0.483 377 K N 6.975 127.434 120.400 0.098 0.000 2.464 377 K HA 0.281 4.661 4.320 0.100 0.000 0.253 377 K C -1.864 174.763 176.600 0.045 0.000 0.933 377 K CA -1.951 54.380 56.287 0.073 0.000 0.801 377 K CB 4.204 36.728 32.500 0.040 0.000 1.271 377 K HN 0.369 8.663 8.250 0.074 0.000 0.430 378 V N 3.208 123.151 119.914 0.048 0.000 2.585 378 V HA -0.150 4.123 4.120 0.019 -0.142 0.296 378 V C 0.333 176.427 176.094 0.001 0.000 1.035 378 V CA 0.234 62.548 62.300 0.023 0.000 1.084 378 V CB -0.379 31.460 31.823 0.027 0.000 0.953 378 V HN 0.536 8.763 8.190 0.063 0.000 0.483 379 A N 8.580 131.390 122.820 -0.016 0.000 2.379 379 A HA 0.163 4.466 4.320 -0.028 0.000 0.236 379 A C -0.907 176.662 177.584 -0.025 0.000 1.272 379 A CA 0.433 52.453 52.037 -0.029 0.000 0.886 379 A CB 0.510 19.480 19.000 -0.049 0.000 0.962 379 A HN 0.569 8.605 8.150 -0.016 0.104 0.504 380 V N -5.424 114.478 119.914 -0.019 0.000 3.074 380 V HA 0.545 4.656 4.120 -0.016 0.000 0.314 380 V C -2.967 173.123 176.094 -0.007 0.000 1.117 380 V CA -4.044 58.247 62.300 -0.016 0.000 1.014 380 V CB 0.487 32.298 31.823 -0.021 0.000 1.057 380 V HN -0.683 7.432 8.190 -0.017 0.065 0.438 381 P HA 0.128 4.551 4.420 0.005 0.000 0.266 381 P C 0.545 177.853 177.300 0.013 0.000 1.195 381 P CA 0.050 63.154 63.100 0.005 0.000 0.768 381 P CB 0.628 32.332 31.700 0.007 0.000 0.838 382 L N 2.756 123.992 121.223 0.021 0.000 2.131 382 L HA -0.293 4.063 4.340 0.026 0.000 0.210 382 L C 2.292 179.203 176.870 0.069 0.000 1.092 382 L CA 2.568 57.430 54.840 0.038 0.000 0.759 382 L CB -0.561 41.523 42.059 0.042 0.000 0.903 382 L HN 0.211 8.452 8.230 0.018 0.000 0.435 383 G N -1.949 106.887 108.800 0.060 0.000 2.559 383 G HA2 -0.185 3.840 3.960 0.110 0.000 0.216 383 G HA3 -0.185 3.810 3.960 0.058 0.000 0.216 383 G C 0.219 175.168 174.900 0.082 0.000 1.126 383 G CA 1.021 46.169 45.100 0.080 0.000 0.778 383 G HN 0.306 8.600 8.290 0.042 0.021 0.543 384 K N -1.214 119.216 120.400 0.049 0.000 2.372 384 K HA 0.121 4.469 4.320 0.046 0.000 0.200 384 K C -0.326 176.277 176.600 0.004 0.000 1.022 384 K CA -1.655 54.652 56.287 0.032 0.000 1.125 384 K CB 0.219 32.726 32.500 0.012 0.000 0.855 384 K HN -0.307 7.787 8.250 0.037 0.178 0.524 385 I N 0.685 121.240 120.570 -0.026 0.000 2.845 385 I HA -0.334 3.736 4.170 -0.166 0.000 0.296 385 I C -1.038 174.952 176.117 -0.210 0.000 1.216 385 I CA 1.558 62.740 61.300 -0.196 0.000 1.438 385 I CB 0.133 37.881 38.000 -0.419 0.000 1.342 385 I HN -0.821 7.343 8.210 0.015 0.055 0.577 386 N N 7.668 126.243 118.700 -0.209 0.000 2.521 386 N HA 0.198 4.926 4.740 -0.020 0.000 0.236 386 N C -1.332 174.083 175.510 -0.158 0.000 1.067 386 N CA -0.480 52.506 53.050 -0.105 0.000 0.939 386 N CB 0.165 38.620 38.487 -0.054 0.000 1.201 386 N HN 0.490 8.748 8.380 -0.204 0.000 0.511 387 Y N 2.803 123.102 120.300 -0.002 0.000 2.298 387 Y HA 0.039 4.699 4.550 -0.011 -0.117 0.329 387 Y C 1.552 177.445 175.900 -0.011 0.000 1.293 387 Y CA 0.452 58.547 58.100 -0.008 0.000 1.388 387 Y CB 1.263 39.720 38.460 -0.005 0.000 1.309 387 Y HN -0.534 7.849 8.280 0.171 0.000 0.544 388 T N 1.206 115.858 114.554 0.163 0.000 2.855 388 T HA 0.050 4.433 4.350 0.055 0.000 0.322 388 T C -0.863 173.880 174.700 0.072 0.000 1.088 388 T CA -1.055 61.094 62.100 0.082 0.000 1.104 388 T CB -0.384 68.516 68.868 0.054 0.000 0.996 388 T HN 0.182 8.421 8.240 0.187 0.113 0.549 389 P HA -0.043 4.391 4.420 0.024 0.000 0.266 389 P C 0.656 177.959 177.300 0.005 0.000 1.193 389 P CA 0.281 63.391 63.100 0.018 0.000 0.770 389 P CB 0.550 32.250 31.700 0.001 0.000 0.836 390 L N 0.972 122.191 121.223 -0.005 0.000 2.275 390 L HA -0.331 3.994 4.340 -0.025 0.000 0.215 390 L C 1.290 178.139 176.870 -0.034 0.000 1.119 390 L CA 2.426 57.252 54.840 -0.023 0.000 0.790 390 L CB -0.319 41.721 42.059 -0.031 0.000 0.919 390 L HN 0.295 8.523 8.230 -0.002 0.000 0.443 391 N N -4.633 114.044 118.700 -0.038 0.000 2.370 391 N HA -0.093 4.606 4.740 -0.070 0.000 0.198 391 N C -0.229 175.239 175.510 -0.069 0.000 1.156 391 N CA 0.008 53.022 53.050 -0.060 0.000 0.839 391 N CB -0.059 38.394 38.487 -0.057 0.000 0.989 391 N HN 0.071 8.397 8.380 -0.030 0.036 0.468 392 R N -0.265 120.208 120.500 -0.046 0.000 2.875 392 R HA 0.289 4.597 4.340 -0.054 0.000 0.251 392 R C -1.108 175.178 176.300 -0.023 0.000 1.123 392 R CA -2.486 53.590 56.100 -0.039 0.000 1.064 392 R CB 1.423 31.709 30.300 -0.023 0.000 1.205 392 R HN -0.345 7.815 8.270 -0.034 0.090 0.503 393 D N 0.267 120.658 120.400 -0.015 0.000 2.478 393 D HA -0.167 4.482 4.640 0.015 0.000 0.234 393 D C -0.543 175.767 176.300 0.017 0.000 1.154 393 D CA 1.237 55.240 54.000 0.005 0.000 0.874 393 D CB 0.569 41.370 40.800 0.001 0.000 1.198 393 D HN 0.155 8.512 8.370 -0.022 0.000 0.455 394 V N 1.367 121.300 119.914 0.031 0.000 2.763 394 V HA -0.291 3.854 4.120 0.041 0.000 0.306 394 V C -0.649 175.468 176.094 0.038 0.000 1.059 394 V CA 0.973 63.297 62.300 0.040 0.000 1.138 394 V CB 0.449 32.307 31.823 0.059 0.000 0.940 394 V HN 0.330 8.543 8.190 0.038 0.000 0.489 395 G N 4.995 113.840 108.800 0.076 0.000 2.349 395 G HA2 0.363 4.341 3.960 0.030 0.000 0.294 395 G HA3 0.363 4.441 3.960 0.039 -0.095 0.294 395 G C -2.581 172.382 174.900 0.104 0.000 1.380 395 G CA 0.208 45.344 45.100 0.060 0.000 0.811 395 G HN -0.655 7.708 8.290 0.123 0.000 0.519 396 I N -0.614 119.967 120.570 0.017 0.000 2.499 396 I HA 0.269 4.493 4.170 -0.091 -0.109 0.288 396 I C -0.596 175.493 176.117 -0.047 0.000 1.048 396 I CA -0.469 60.791 61.300 -0.067 0.000 1.062 396 I CB 3.190 41.104 38.000 -0.143 0.000 1.238 396 I HN -0.090 8.384 8.210 0.008 -0.259 0.426 397 V N 6.799 126.681 119.914 -0.053 0.000 2.346 397 V HA -0.167 3.939 4.120 -0.023 0.000 0.244 397 V C -0.242 175.829 176.094 -0.039 0.000 1.037 397 V CA 2.417 64.697 62.300 -0.033 0.000 1.029 397 V CB 0.779 32.588 31.823 -0.023 0.000 0.663 397 V HN 0.483 8.631 8.190 -0.070 0.000 0.454 398 D N -5.096 115.271 120.400 -0.056 0.000 2.602 398 D HA 0.108 4.817 4.640 -0.033 -0.089 0.236 398 D C -2.252 174.010 176.300 -0.063 0.000 1.209 398 D CA -1.017 52.956 54.000 -0.045 0.000 0.831 398 D CB 3.342 44.121 40.800 -0.034 0.000 1.478 398 D HN -0.793 7.532 8.370 -0.075 0.000 0.438 399 L N -0.781 120.418 121.223 -0.040 0.000 2.563 399 L HA 0.523 4.826 4.340 -0.062 0.000 0.259 399 L C -2.960 173.899 176.870 -0.019 0.000 1.034 399 L CA -2.587 52.229 54.840 -0.040 0.000 0.899 399 L CB 3.211 45.255 42.059 -0.026 0.000 1.159 399 L HN 0.321 8.883 8.230 -0.025 -0.347 0.456 400 P HA 0.193 4.783 4.420 -0.019 -0.181 0.267 400 P C -1.062 176.227 177.300 -0.018 0.000 1.205 400 P CA -0.125 62.961 63.100 -0.023 0.000 0.765 400 P CB 0.009 31.690 31.700 -0.031 0.000 0.828 401 V N -2.071 117.834 119.914 -0.014 0.000 3.007 401 V HA 1.040 5.317 4.120 -0.010 -0.163 0.311 401 V C -1.780 174.271 176.094 -0.072 0.000 1.120 401 V CA -3.273 59.023 62.300 -0.007 0.000 0.980 401 V CB 4.555 36.397 31.823 0.032 0.000 1.033 401 V HN 0.553 8.735 8.190 -0.014 0.000 0.429 402 I N -4.196 116.308 120.570 -0.110 0.000 3.067 402 I HA 0.496 4.330 4.170 -0.561 0.000 0.312 402 I C -2.321 173.673 176.117 -0.204 0.000 1.073 402 I CA -1.467 59.646 61.300 -0.311 0.000 1.016 402 I CB 2.993 40.843 38.000 -0.250 0.000 1.227 402 I HN 0.009 8.183 8.210 -0.059 0.000 0.456 403 F N 0.000 119.830 119.950 -0.201 0.000 2.286 403 F HA 0.000 4.453 4.527 -0.123 0.000 0.279 403 F CA 0.000 57.874 58.000 -0.210 0.000 1.383 403 F CB 0.000 38.649 39.000 -0.585 0.000 1.145 403 F HN 0.000 7.793 8.300 -0.844 0.000 0.574