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 3b3r_1_A DATA FIRST_RESID 4 DATA SEQUENCE SADNGGYVPA VVIGTGYGAA VSALRLGEAG VQTLMLEMGQ LWNQPGPDGN DATA SEQUENCE IFCGMLNPDK RSSWFKNRTE APLGSFLWLD VVNRNIDPYA GVLDRVNYDQ DATA SEQUENCE MSVYVGRGVG GGSLVNGGMA VEPKRSYFEE ILPRVDSSEM YDRYFPRANS DATA SEQUENCE MLRVNHIDTK WFEDTEWYKF ARVSREQAGK AGLGTVFVPN VYDFGYMQRE DATA SEQUENCE AAGEVPKSAL ATEVIYGNNH GKQSLDKTYL AAALGTGKVT IQTLHQVKTI DATA SEQUENCE RQTKDGGYAL TVEQKDTDGK LLATKEISCR YLFLGAGSLG STELLVRARD DATA SEQUENCE TGTLPNLNSE VGAGWGPNGN IMTARANHMW NPTGAHQSSI PALGIDAWDN DATA SEQUENCE SDSSVFAQIA PMPAGLETWV SLYLAITKNP QRGTFVYDAA TDRAKLNWTR DATA SEQUENCE DQNAPAVNAA KALFDRINKA NGTIYRYDLF GTQLKAFADD FCYQPLGGCV DATA SEQUENCE LGKATDDYGR VAGYKNLYVT DGSLIPGSVG VNPFVTITAL AERNVERIIK DATA SEQUENCE QDV 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.602 174.600 0.004 0.000 1.055 4 S CA 0.000 58.210 58.200 0.017 0.000 1.107 4 S CB 0.000 nan 63.200 nan 0.000 0.593 5 A N 1.697 124.501 122.820 -0.027 0.000 1.883 5 A HA -0.210 3.728 4.320 -0.636 0.000 0.217 5 A C 1.609 179.185 177.584 -0.013 0.000 1.186 5 A CA 0.695 52.691 52.037 -0.068 0.000 0.624 5 A CB -0.487 18.439 19.000 -0.122 0.000 0.822 5 A HN 0.305 nan 8.150 nan 0.000 0.444 6 D N -1.012 119.392 120.400 0.006 0.000 2.117 6 D HA -0.127 4.131 4.640 -0.636 0.000 0.198 6 D C 1.657 177.990 176.300 0.056 0.000 0.982 6 D CA 1.633 55.655 54.000 0.036 0.000 0.828 6 D CB -0.418 40.394 40.800 0.021 0.000 0.967 6 D HN 0.460 nan 8.370 nan 0.000 0.464 7 N N -0.637 118.090 118.700 0.045 0.000 2.159 7 N HA 0.019 4.377 4.740 -0.636 0.000 0.217 7 N C 0.012 175.550 175.510 0.047 0.000 1.223 7 N CA -0.127 52.949 53.050 0.044 0.000 0.896 7 N CB 1.004 39.511 38.487 0.032 0.000 1.064 7 N HN 0.238 nan 8.380 nan 0.000 0.518 8 G N -0.866 107.965 108.800 0.051 0.000 2.692 8 G HA2 -0.220 3.359 3.960 -0.636 0.000 0.686 8 G HA3 -0.220 3.359 3.960 -0.636 0.000 0.686 8 G C -1.748 173.182 174.900 0.050 0.000 1.243 8 G CA -0.641 44.489 45.100 0.051 0.000 0.782 8 G HN -0.506 nan 8.290 nan 0.000 0.625 9 G N -1.317 107.519 108.800 0.059 0.000 2.352 9 G HA2 -0.183 3.833 3.960 0.093 0.000 0.283 9 G HA3 -0.183 3.826 3.960 0.082 0.000 0.283 9 G C -3.514 171.453 174.900 0.112 0.000 1.308 9 G CA -0.239 44.913 45.100 0.086 0.000 0.892 9 G HN -0.376 7.948 8.290 0.057 0.000 0.504 10 Y N 2.196 122.506 120.300 0.018 0.000 2.323 10 Y HA 0.777 5.544 4.550 0.024 -0.203 0.331 10 Y C -0.991 174.926 175.900 0.029 0.000 1.092 10 Y CA -1.145 56.968 58.100 0.021 0.000 1.150 10 Y CB 2.189 40.657 38.460 0.012 0.000 1.200 10 Y HN -0.017 8.406 8.280 0.239 0.000 0.472 11 V N 7.539 126.990 119.914 -0.771 0.000 2.888 11 V HA 0.591 4.501 4.120 -0.349 0.000 0.309 11 V C -2.689 172.939 176.094 -0.776 0.000 1.114 11 V CA -4.251 57.719 62.300 -0.551 0.000 0.940 11 V CB 3.582 35.274 31.823 -0.218 0.000 1.021 11 V HN 0.315 7.957 8.190 -0.912 0.000 0.426 12 P HA -0.139 4.239 4.420 -0.071 0.000 0.214 12 P C -1.570 175.771 177.300 0.068 0.000 1.163 12 P CA 2.151 65.210 63.100 -0.068 0.000 0.889 12 P CB 0.518 32.308 31.700 0.150 0.000 0.790 13 A N -6.407 116.476 122.820 0.104 0.000 2.365 13 A HA 0.881 5.613 4.320 0.330 -0.214 0.318 13 A C -2.102 175.547 177.584 0.110 0.000 1.091 13 A CA -1.721 50.453 52.037 0.228 0.000 0.763 13 A CB 3.355 22.517 19.000 0.271 0.000 1.248 13 A HN -0.486 7.692 8.150 0.048 0.000 0.442 14 V N 2.058 122.071 119.914 0.166 0.000 2.555 14 V HA 0.838 5.191 4.120 0.052 -0.202 0.302 14 V C -1.450 174.751 176.094 0.179 0.000 1.038 14 V CA -2.318 60.044 62.300 0.103 0.000 0.887 14 V CB 3.489 35.346 31.823 0.055 0.000 0.991 14 V HN 0.133 8.468 8.190 0.242 0.000 0.434 15 V N 6.845 126.814 119.914 0.093 0.000 2.409 15 V HA 0.539 4.966 4.120 0.182 -0.197 0.291 15 V C -0.775 175.350 176.094 0.052 0.000 1.020 15 V CA -1.905 60.450 62.300 0.092 0.000 0.848 15 V CB 1.677 33.497 31.823 -0.004 0.000 0.990 15 V HN 0.515 8.732 8.190 0.046 0.000 0.430 16 I N 6.189 126.795 120.570 0.060 0.000 2.325 16 I HA 0.068 4.254 4.170 0.027 0.000 0.291 16 I C -0.294 175.835 176.117 0.020 0.000 1.019 16 I CA -0.283 61.036 61.300 0.031 0.000 1.302 16 I CB -0.337 37.676 38.000 0.020 0.000 1.401 16 I HN 0.466 8.729 8.210 0.088 0.000 0.485 17 G N 7.789 116.595 108.800 0.009 0.000 2.707 17 G HA2 -0.272 3.804 3.960 -0.003 0.000 0.686 17 G HA3 -0.272 3.857 3.960 -0.003 -0.171 0.686 17 G C -1.517 173.373 174.900 -0.016 0.000 1.315 17 G CA -0.094 45.004 45.100 -0.003 0.000 0.832 17 G HN 0.547 8.845 8.290 0.013 0.000 0.573 18 T N -4.160 110.376 114.554 -0.030 0.000 3.604 18 T HA 0.267 4.579 4.350 -0.063 0.000 0.305 18 T C -0.721 173.915 174.700 -0.106 0.000 0.978 18 T CA -1.709 60.358 62.100 -0.056 0.000 0.999 18 T CB 1.124 69.970 68.868 -0.037 0.000 1.204 18 T HN -0.146 8.163 8.240 -0.027 -0.085 0.476 19 G N 0.881 109.622 108.800 -0.098 0.000 2.504 19 G HA2 -0.017 3.946 3.960 -0.258 0.000 0.257 19 G HA3 -0.017 3.905 3.960 -0.063 0.000 0.257 19 G C -0.405 174.360 174.900 -0.225 0.000 1.451 19 G CA -0.984 44.019 45.100 -0.162 0.000 1.059 19 G HN -0.601 7.655 8.290 -0.057 0.000 0.550 20 Y N 0.067 120.312 120.300 -0.090 0.000 2.114 20 Y HA -0.414 4.014 4.550 -0.202 0.000 0.284 20 Y C 2.393 178.190 175.900 -0.172 0.000 1.143 20 Y CA 4.184 62.196 58.100 -0.146 0.000 1.135 20 Y CB -0.384 38.029 38.460 -0.077 0.000 0.980 20 Y HN 0.236 8.567 8.280 0.084 0.000 0.499 21 G N -3.656 105.181 108.800 0.061 0.000 2.418 21 G HA2 -0.339 3.607 3.960 -0.023 0.000 0.217 21 G HA3 -0.339 3.768 3.960 0.030 -0.130 0.217 21 G C 0.592 175.458 174.900 -0.055 0.000 1.158 21 G CA 2.197 47.296 45.100 -0.002 0.000 0.771 21 G HN 0.212 8.576 8.290 0.123 0.000 0.545 22 A N 2.142 124.932 122.820 -0.050 0.000 1.877 22 A HA -0.164 4.125 4.320 -0.052 0.000 0.216 22 A C 1.847 179.353 177.584 -0.129 0.000 1.186 22 A CA 2.640 54.635 52.037 -0.070 0.000 0.620 22 A CB -0.696 18.275 19.000 -0.048 0.000 0.822 22 A HN -0.143 7.989 8.150 -0.030 0.000 0.443 23 A N -1.435 121.286 122.820 -0.166 0.000 1.898 23 A HA -0.274 3.978 4.320 -0.113 0.000 0.216 23 A C 1.847 179.312 177.584 -0.199 0.000 1.181 23 A CA 2.694 54.630 52.037 -0.169 0.000 0.620 23 A CB -0.497 18.381 19.000 -0.203 0.000 0.819 23 A HN -0.188 7.858 8.150 -0.174 0.000 0.442 24 V N -2.020 117.668 119.914 -0.377 0.000 2.287 24 V HA -0.511 3.403 4.120 -0.343 0.000 0.248 24 V C 1.770 177.766 176.094 -0.163 0.000 1.053 24 V CA 4.172 66.264 62.300 -0.346 0.000 1.027 24 V CB -0.819 30.776 31.823 -0.379 0.000 0.646 24 V HN -0.406 7.545 8.190 -0.398 0.000 0.447 25 S N 0.289 115.867 115.700 -0.204 0.000 2.359 25 S HA -0.331 3.964 4.470 -0.293 0.000 0.224 25 S C 1.960 176.361 174.600 -0.333 0.000 1.035 25 S CA 3.430 61.447 58.200 -0.305 0.000 1.018 25 S CB -0.916 62.058 63.200 -0.377 0.000 0.876 25 S HN -0.517 7.675 8.310 -0.197 0.000 0.448 26 A N 2.275 124.948 122.820 -0.245 0.000 1.933 26 A HA -0.263 3.906 4.320 -0.251 0.000 0.218 26 A C 1.600 179.111 177.584 -0.121 0.000 1.175 26 A CA 2.765 54.686 52.037 -0.194 0.000 0.628 26 A CB -0.626 18.297 19.000 -0.128 0.000 0.814 26 A HN -0.256 7.768 8.150 -0.210 0.000 0.444 27 L N -0.795 120.396 121.223 -0.054 0.000 1.989 27 L HA -0.361 3.973 4.340 -0.009 0.000 0.211 27 L C 1.742 178.591 176.870 -0.035 0.000 1.071 27 L CA 3.120 57.961 54.840 0.000 0.000 0.749 27 L CB -0.387 41.745 42.059 0.120 0.000 0.890 27 L HN -0.417 7.787 8.230 -0.043 0.000 0.431 28 R N -2.553 117.913 120.500 -0.056 0.000 2.090 28 R HA -0.198 4.119 4.340 -0.038 0.000 0.228 28 R C 2.986 179.220 176.300 -0.111 0.000 1.110 28 R CA 1.029 57.089 56.100 -0.067 0.000 0.973 28 R CB -0.816 29.445 30.300 -0.064 0.000 0.869 28 R HN -0.542 7.690 8.270 -0.064 0.000 0.440 29 L N -0.947 120.171 121.223 -0.176 0.000 2.012 29 L HA -0.372 3.862 4.340 -0.176 0.000 0.210 29 L C 1.954 178.761 176.870 -0.105 0.000 1.073 29 L CA 3.310 58.042 54.840 -0.180 0.000 0.748 29 L CB -0.667 41.231 42.059 -0.268 0.000 0.891 29 L HN 0.055 8.156 8.230 -0.214 0.000 0.431 30 G N -2.821 105.926 108.800 -0.088 0.000 2.422 30 G HA2 -0.350 3.581 3.960 -0.048 0.000 0.218 30 G HA3 -0.350 3.579 3.960 -0.051 0.000 0.218 30 G C 1.925 176.800 174.900 -0.041 0.000 1.146 30 G CA 1.723 46.790 45.100 -0.055 0.000 0.769 30 G HN -0.166 8.064 8.290 -0.101 0.000 0.547 31 E N 2.626 122.801 120.200 -0.042 0.000 2.204 31 E HA -0.275 4.059 4.350 -0.026 0.000 0.195 31 E C 1.388 177.969 176.600 -0.030 0.000 0.990 31 E CA 2.049 58.430 56.400 -0.031 0.000 0.821 31 E CB -0.051 29.633 29.700 -0.027 0.000 0.750 31 E HN -0.205 8.127 8.360 -0.047 0.000 0.477 32 A N -3.398 119.398 122.820 -0.041 0.000 2.238 32 A HA 0.072 4.375 4.320 -0.030 0.000 0.208 32 A C 0.045 177.614 177.584 -0.024 0.000 1.177 32 A CA -0.019 51.996 52.037 -0.037 0.000 0.804 32 A CB 0.005 18.970 19.000 -0.058 0.000 0.823 32 A HN -0.428 7.563 8.150 -0.052 0.128 0.482 33 G N -2.148 106.640 108.800 -0.020 0.000 2.136 33 G HA2 -0.313 3.644 3.960 -0.005 0.000 0.242 33 G HA3 -0.313 3.648 3.960 0.002 0.000 0.242 33 G C -0.736 174.168 174.900 0.006 0.000 0.989 33 G CA -0.018 45.080 45.100 -0.004 0.000 0.682 33 G HN -0.471 7.613 8.290 -0.026 0.191 0.522 34 V N 2.821 122.731 119.914 -0.006 0.000 2.385 34 V HA -0.032 4.117 4.120 0.050 0.000 0.269 34 V C -0.862 175.239 176.094 0.013 0.000 1.043 34 V CA -1.326 60.986 62.300 0.020 0.000 0.906 34 V CB -0.249 31.574 31.823 0.001 0.000 0.995 34 V HN -0.409 7.727 8.190 -0.025 0.039 0.467 35 Q N 8.917 128.737 119.800 0.033 0.000 2.255 35 Q HA -0.050 4.474 4.340 0.002 -0.182 0.280 35 Q C -0.560 175.443 176.000 0.005 0.000 1.068 35 Q CA 0.300 56.112 55.803 0.016 0.000 0.911 35 Q CB 0.067 28.821 28.738 0.027 0.000 1.157 35 Q HN 0.568 8.870 8.270 0.053 0.000 0.380 36 T N 8.759 123.303 114.554 -0.018 0.000 2.881 36 T HA 0.596 5.159 4.350 -0.012 -0.220 0.290 36 T C -2.224 172.454 174.700 -0.038 0.000 1.000 36 T CA -0.813 61.270 62.100 -0.028 0.000 0.978 36 T CB 2.583 71.414 68.868 -0.061 0.000 0.997 36 T HN 0.493 8.720 8.240 -0.022 0.000 0.443 37 L N 7.348 128.549 121.223 -0.036 0.000 2.305 37 L HA 0.613 5.231 4.340 -0.050 -0.308 0.284 37 L C -2.393 174.456 176.870 -0.035 0.000 1.013 37 L CA -1.462 53.351 54.840 -0.044 0.000 0.819 37 L CB 2.979 45.005 42.059 -0.054 0.000 1.227 37 L HN 0.525 8.739 8.230 -0.026 0.000 0.417 38 M N 5.991 125.565 119.600 -0.044 0.000 2.209 38 M HA 0.603 5.298 4.480 -0.021 -0.227 0.355 38 M C -1.184 175.094 176.300 -0.038 0.000 1.171 38 M CA -0.685 54.595 55.300 -0.034 0.000 1.069 38 M CB 1.811 34.388 32.600 -0.038 0.000 1.622 38 M HN 0.842 9.102 8.290 -0.050 0.000 0.459 39 L N 2.519 123.733 121.223 -0.014 0.000 2.298 39 L HA 0.599 5.067 4.340 -0.025 -0.143 0.284 39 L C -1.496 175.392 176.870 0.030 0.000 1.013 39 L CA -1.142 53.700 54.840 0.004 0.000 0.824 39 L CB 1.093 43.171 42.059 0.032 0.000 1.221 39 L HN 0.473 8.702 8.230 -0.002 0.000 0.418 40 E N 4.263 124.491 120.200 0.045 0.000 2.199 40 E HA 0.453 4.825 4.350 0.037 0.000 0.265 40 E C -0.314 176.346 176.600 0.099 0.000 0.882 40 E CA -1.682 54.750 56.400 0.053 0.000 0.759 40 E CB 3.064 32.789 29.700 0.041 0.000 1.148 40 E HN 0.237 8.622 8.360 0.041 0.000 0.412 41 M N 4.675 124.324 119.600 0.082 0.000 2.319 41 M HA 0.039 4.709 4.480 0.171 -0.088 0.265 41 M C 0.388 176.829 176.300 0.236 0.000 1.068 41 M CA 2.326 57.710 55.300 0.141 0.000 1.118 41 M CB 0.574 33.230 32.600 0.092 0.000 1.395 41 M HN 0.504 8.819 8.290 0.041 0.000 0.435 42 G N -2.047 106.846 108.800 0.156 0.000 2.525 42 G HA2 0.100 4.376 3.960 0.527 0.000 0.287 42 G HA3 0.100 4.288 3.960 0.257 -0.074 0.287 42 G C -2.022 172.994 174.900 0.192 0.000 1.350 42 G CA -1.787 43.488 45.100 0.291 0.000 1.039 42 G HN -0.344 8.323 8.290 0.073 -0.333 0.513 43 Q N -2.501 117.375 119.800 0.126 0.000 2.260 43 Q HA 0.063 4.329 4.340 -0.123 0.000 0.238 43 Q C -1.063 174.850 176.000 -0.145 0.000 0.948 43 Q CA -0.992 54.700 55.803 -0.184 0.000 0.895 43 Q CB 2.113 30.430 28.738 -0.703 0.000 1.218 43 Q HN 0.340 8.768 8.270 0.264 0.000 0.470 44 L N 1.236 122.358 121.223 -0.168 0.000 2.369 44 L HA 0.069 4.431 4.340 0.036 0.000 0.279 44 L C -0.956 175.797 176.870 -0.196 0.000 1.108 44 L CA 0.016 54.807 54.840 -0.081 0.000 0.852 44 L CB 0.171 42.195 42.059 -0.058 0.000 1.169 44 L HN 0.256 8.388 8.230 -0.164 0.000 0.452 45 W N 8.359 129.661 121.300 0.004 0.000 2.247 45 W HA 0.030 4.636 4.660 -0.089 0.000 0.394 45 W C -1.069 175.349 176.519 -0.167 0.000 0.939 45 W CA -0.010 57.285 57.345 -0.083 0.000 1.548 45 W CB -0.733 28.724 29.460 -0.004 0.000 1.610 45 W HN 0.505 8.870 8.180 0.309 0.000 0.336 46 N N -1.112 117.553 118.700 -0.059 0.000 2.142 46 N HA -0.018 4.680 4.740 -0.070 0.000 0.233 46 N C -1.228 174.231 175.510 -0.085 0.000 1.335 46 N CA 0.181 53.191 53.050 -0.066 0.000 0.837 46 N CB 0.876 39.338 38.487 -0.041 0.000 1.238 46 N HN -0.314 7.990 8.380 -0.127 0.000 0.501 47 Q N 0.451 120.189 119.800 -0.105 0.000 2.312 47 Q HA 0.505 4.804 4.340 -0.069 0.000 0.263 47 Q C -1.982 173.977 176.000 -0.068 0.000 0.995 47 Q CA -3.283 52.470 55.803 -0.083 0.000 0.853 47 Q CB 0.654 29.337 28.738 -0.093 0.000 1.300 47 Q HN -0.176 8.018 8.270 -0.127 0.000 0.448 48 P HA -0.095 4.421 4.420 -0.038 -0.118 0.271 48 P C -0.757 176.530 177.300 -0.021 0.000 1.216 48 P CA -0.280 62.800 63.100 -0.032 0.000 0.771 48 P CB 0.533 32.221 31.700 -0.020 0.000 0.864 49 G N 2.659 111.456 108.800 -0.006 0.000 2.516 49 G HA2 0.202 4.151 3.960 -0.018 0.000 0.276 49 G HA3 0.202 4.165 3.960 0.006 0.000 0.276 49 G C -0.415 174.479 174.900 -0.010 0.000 1.390 49 G CA -1.419 43.677 45.100 -0.006 0.000 1.050 49 G HN 0.168 8.353 8.290 -0.001 0.104 0.519 50 P HA -0.066 4.344 4.420 -0.016 0.000 0.226 50 P C -1.273 176.026 177.300 -0.002 0.000 1.153 50 P CA 1.735 64.826 63.100 -0.016 0.000 0.777 50 P CB -0.006 31.677 31.700 -0.029 0.000 0.794 51 D N -5.651 114.755 120.400 0.009 0.000 2.340 51 D HA -0.059 4.592 4.640 0.018 0.000 0.217 51 D C 1.145 177.461 176.300 0.027 0.000 1.081 51 D CA -0.981 53.031 54.000 0.021 0.000 0.842 51 D CB -1.258 39.562 40.800 0.033 0.000 0.934 51 D HN -0.414 7.858 8.370 0.010 0.105 0.511 52 G N -0.693 108.118 108.800 0.018 0.000 2.179 52 G HA2 -0.480 3.487 3.960 0.011 0.000 0.260 52 G HA3 -0.480 3.496 3.960 0.026 0.000 0.260 52 G C -0.701 174.212 174.900 0.022 0.000 0.977 52 G CA 0.441 45.553 45.100 0.019 0.000 0.641 52 G HN 0.044 7.984 8.290 0.011 0.356 0.533 53 N N -0.597 118.118 118.700 0.025 0.000 2.430 53 N HA 0.358 5.102 4.740 0.006 0.000 0.298 53 N C 0.039 175.537 175.510 -0.021 0.000 1.130 53 N CA -1.526 51.534 53.050 0.016 0.000 0.894 53 N CB 2.025 40.547 38.487 0.057 0.000 1.209 53 N HN -0.554 8.044 8.380 0.030 -0.200 0.503 54 I N 1.080 121.584 120.570 -0.110 0.000 2.202 54 I HA -0.223 4.040 4.170 -0.136 -0.175 0.242 54 I C 0.632 176.630 176.117 -0.198 0.000 1.091 54 I CA 3.683 64.833 61.300 -0.250 0.000 1.368 54 I CB 0.917 38.585 38.000 -0.552 0.000 1.058 54 I HN -0.023 8.196 8.210 -0.121 -0.082 0.410 55 F N -2.584 117.420 119.950 0.090 0.000 2.492 55 F HA 0.221 4.778 4.527 0.050 0.000 0.327 55 F C -0.309 175.524 175.800 0.055 0.000 1.079 55 F CA -0.780 57.244 58.000 0.041 0.000 0.967 55 F CB 2.116 41.091 39.000 -0.043 0.000 1.169 55 F HN -0.514 8.120 8.300 0.011 -0.327 0.472 56 C N 2.218 121.679 119.300 0.268 0.000 2.652 56 C HA -0.077 4.474 4.460 0.151 0.000 0.412 56 C C -0.164 174.979 174.990 0.255 0.000 1.294 56 C CA 0.750 59.886 59.018 0.196 0.000 2.127 56 C CB -0.413 27.402 27.740 0.124 0.000 2.691 56 C HN 0.606 8.999 8.230 0.271 0.000 0.615 57 G N 0.238 109.160 108.800 0.204 0.000 2.557 57 G HA2 0.407 4.459 3.960 0.154 0.000 0.292 57 G HA3 0.407 4.487 3.960 0.131 -0.042 0.292 57 G C -0.018 175.038 174.900 0.260 0.000 1.237 57 G CA -1.041 44.168 45.100 0.183 0.000 0.978 57 G HN -0.081 8.651 8.290 0.163 -0.345 0.498 58 M N -0.504 119.169 119.600 0.122 0.000 2.394 58 M HA -0.185 4.444 4.480 0.249 0.000 0.264 58 M C 0.767 177.150 176.300 0.139 0.000 1.073 58 M CA 2.719 58.086 55.300 0.112 0.000 1.111 58 M CB 0.588 33.145 32.600 -0.072 0.000 1.401 58 M HN 0.287 8.606 8.290 0.048 0.000 0.448 59 L N -3.280 118.001 121.223 0.097 0.000 2.567 59 L HA -0.020 4.363 4.340 0.072 0.000 0.225 59 L C -0.424 176.492 176.870 0.077 0.000 1.119 59 L CA -0.181 54.704 54.840 0.075 0.000 0.871 59 L CB 0.332 42.422 42.059 0.052 0.000 1.036 59 L HN -0.146 8.106 8.230 0.088 0.030 0.459 60 N N -4.653 114.106 118.700 0.097 0.000 2.646 60 N HA 0.284 5.056 4.740 0.053 0.000 0.303 60 N C -2.286 173.261 175.510 0.062 0.000 1.921 60 N CA -3.123 49.968 53.050 0.069 0.000 0.872 60 N CB -0.334 38.189 38.487 0.061 0.000 1.327 60 N HN -0.666 7.633 8.380 0.125 0.156 0.492 61 P HA -0.023 4.342 4.420 -0.092 0.000 0.271 61 P C -1.579 175.678 177.300 -0.071 0.000 1.216 61 P CA 0.284 63.353 63.100 -0.051 0.000 0.776 61 P CB 0.707 32.367 31.700 -0.068 0.000 0.881 62 D N 0.825 121.156 120.400 -0.115 0.000 2.958 62 D HA 0.065 4.658 4.640 -0.079 0.000 0.306 62 D C 0.494 176.725 176.300 -0.115 0.000 1.226 62 D CA -1.395 52.549 54.000 -0.093 0.000 1.032 62 D CB 0.885 41.642 40.800 -0.071 0.000 1.400 62 D HN -0.476 7.799 8.370 -0.157 0.000 0.587 63 K N -2.859 117.464 120.400 -0.129 0.000 2.280 63 K HA -0.274 4.001 4.320 -0.074 0.000 0.202 63 K C 2.271 178.878 176.600 0.011 0.000 1.047 63 K CA 2.783 58.998 56.287 -0.120 0.000 0.942 63 K CB -0.412 31.925 32.500 -0.271 0.000 0.739 63 K HN 0.260 8.422 8.250 -0.147 0.000 0.457 64 R N -1.347 119.169 120.500 0.028 0.000 2.241 64 R HA -0.259 4.456 4.340 0.624 0.000 0.224 64 R C 1.911 178.296 176.300 0.142 0.000 1.101 64 R CA 2.650 58.933 56.100 0.304 0.000 0.995 64 R CB -0.265 30.228 30.300 0.322 0.000 0.870 64 R HN -0.347 8.093 8.270 -0.057 -0.204 0.463 65 S N -2.928 112.704 115.700 -0.113 0.000 2.461 65 S HA -0.083 4.126 4.470 -0.435 0.000 0.228 65 S C -0.323 174.208 174.600 -0.114 0.000 1.005 65 S CA 1.957 59.899 58.200 -0.430 0.000 0.942 65 S CB 0.514 63.068 63.200 -1.077 0.000 0.776 65 S HN -0.301 7.870 8.310 -0.132 0.061 0.514 66 S N 1.225 116.951 115.700 0.044 0.000 2.571 66 S HA 0.339 5.093 4.470 0.184 -0.174 0.284 66 S C -1.186 173.525 174.600 0.184 0.000 1.128 66 S CA -0.374 57.905 58.200 0.131 0.000 0.970 66 S CB 2.506 65.747 63.200 0.069 0.000 1.039 66 S HN -0.769 7.527 8.310 0.069 0.056 0.485 67 W N 7.355 128.698 121.300 0.071 0.000 2.507 67 W HA -0.029 4.707 4.660 -0.084 -0.126 0.334 67 W C -0.380 176.203 176.519 0.106 0.000 1.165 67 W CA -0.604 56.774 57.345 0.054 0.000 1.460 67 W CB 0.193 29.762 29.460 0.182 0.000 1.404 67 W HN 0.067 8.508 8.180 0.436 0.000 0.435 68 F N 4.665 124.481 119.950 -0.222 0.000 2.866 68 F HA -0.442 4.047 4.527 -0.177 -0.069 0.254 68 F C -1.487 174.297 175.800 -0.026 0.000 1.009 68 F CA 1.216 59.091 58.000 -0.208 0.000 0.907 68 F CB -2.438 36.324 39.000 -0.397 0.000 0.859 68 F HN 0.293 7.994 8.300 -0.999 0.000 0.842 69 K N -3.246 117.196 120.400 0.071 0.000 2.281 69 K HA 0.257 4.640 4.320 0.106 0.000 0.242 69 K C -0.567 176.067 176.600 0.056 0.000 0.971 69 K CA -2.306 54.034 56.287 0.089 0.000 0.834 69 K CB 2.302 34.863 32.500 0.102 0.000 1.181 69 K HN -0.443 7.809 8.250 0.004 0.000 0.435 70 N N -0.838 117.897 118.700 0.059 0.000 2.299 70 N HA 0.037 4.959 4.740 0.036 -0.160 0.187 70 N C -0.574 174.959 175.510 0.039 0.000 1.099 70 N CA 1.415 54.491 53.050 0.044 0.000 0.867 70 N CB 1.639 40.153 38.487 0.045 0.000 0.974 70 N HN 0.326 8.746 8.380 0.068 0.000 0.477 71 R N -3.065 117.465 120.500 0.050 0.000 2.604 71 R HA 0.447 4.958 4.340 0.036 -0.149 0.270 71 R C -1.380 174.957 176.300 0.061 0.000 1.052 71 R CA -1.103 55.028 56.100 0.051 0.000 0.902 71 R CB 3.080 33.419 30.300 0.065 0.000 1.233 71 R HN -0.817 7.436 8.270 0.059 0.052 0.455 72 T N 3.784 118.365 114.554 0.045 0.000 2.802 72 T HA -0.006 4.366 4.350 0.038 0.000 0.305 72 T C 0.570 175.341 174.700 0.118 0.000 1.053 72 T CA -0.215 61.915 62.100 0.049 0.000 1.058 72 T CB 0.703 69.573 68.868 0.003 0.000 0.988 72 T HN 0.162 8.421 8.240 0.032 0.000 0.539 73 E N 1.302 121.603 120.200 0.169 0.000 2.238 73 E HA 0.345 4.313 4.350 -0.636 0.000 0.267 73 E C -1.990 174.770 176.600 0.267 0.000 0.887 73 E CA -1.484 55.061 56.400 0.241 0.000 0.769 73 E CB 1.657 31.527 29.700 0.284 0.000 1.187 73 E HN 0.072 nan 8.360 nan 0.000 0.416 74 A N 1.836 124.819 122.820 0.272 0.000 2.445 74 A HA 0.062 4.502 4.320 0.201 0.000 0.242 74 A C -1.668 176.042 177.584 0.210 0.000 1.075 74 A CA -1.118 51.058 52.037 0.232 0.000 0.777 74 A CB -0.416 18.722 19.000 0.230 0.000 1.013 74 A HN 0.145 8.482 8.150 0.312 0.000 0.493 75 P HA -0.180 4.245 4.420 0.009 0.000 0.264 75 P C -1.045 176.302 177.300 0.077 0.000 1.183 75 P CA 0.023 63.145 63.100 0.037 0.000 0.763 75 P CB 0.558 32.224 31.700 -0.056 0.000 0.807 76 L N 4.137 125.396 121.223 0.059 0.000 2.559 76 L HA -0.362 4.017 4.340 0.065 0.000 0.274 76 L C 0.716 177.669 176.870 0.139 0.000 1.205 76 L CA 1.507 56.389 54.840 0.071 0.000 0.907 76 L CB 0.022 42.062 42.059 -0.031 0.000 1.153 76 L HN 0.044 8.291 8.230 0.029 0.000 0.490 77 G N 4.703 113.585 108.800 0.137 0.000 2.232 77 G HA2 -0.244 3.531 3.960 -0.309 0.000 0.226 77 G HA3 -0.244 3.736 3.960 0.033 0.000 0.226 77 G C -0.804 174.136 174.900 0.066 0.000 0.996 77 G CA 0.532 45.619 45.100 -0.021 0.000 0.626 77 G HN 0.408 8.782 8.290 0.141 0.000 0.509 78 S N -1.758 114.034 115.700 0.154 0.000 2.559 78 S HA 0.189 4.948 4.470 0.482 0.000 0.226 78 S C 0.475 175.227 174.600 0.253 0.000 1.000 78 S CA -0.058 58.312 58.200 0.283 0.000 0.948 78 S CB 0.987 64.278 63.200 0.153 0.000 0.870 78 S HN -0.407 7.913 8.310 0.134 0.070 0.497 79 F N 4.454 124.417 119.950 0.022 0.000 2.115 79 F HA -0.451 4.083 4.527 0.013 0.000 0.300 79 F C 0.897 176.609 175.800 -0.147 0.000 1.092 79 F CA 3.905 61.885 58.000 -0.033 0.000 1.245 79 F CB 0.092 39.068 39.000 -0.041 0.000 0.995 79 F HN -0.107 8.359 8.300 0.277 0.000 0.481 80 L N -4.012 117.042 121.223 -0.282 0.000 2.191 80 L HA -0.371 3.664 4.340 -0.509 0.000 0.212 80 L C 1.352 177.721 176.870 -0.836 0.000 1.103 80 L CA 2.440 56.836 54.840 -0.741 0.000 0.769 80 L CB -0.640 40.608 42.059 -1.351 0.000 0.908 80 L HN -0.124 7.970 8.230 -0.193 0.020 0.438 81 W N -4.215 117.008 121.300 -0.128 0.000 2.842 81 W HA -0.029 4.564 4.660 -0.112 0.000 0.267 81 W C 0.837 177.275 176.519 -0.135 0.000 1.219 81 W CA 0.927 58.200 57.345 -0.119 0.000 1.458 81 W CB 1.408 30.810 29.460 -0.097 0.000 1.006 81 W HN -0.476 7.642 8.180 -0.043 0.036 0.603 82 L N -2.497 118.757 121.223 0.052 0.000 2.693 82 L HA 0.178 4.534 4.340 0.025 0.000 0.235 82 L C 1.361 178.165 176.870 -0.110 0.000 1.127 82 L CA 0.320 55.164 54.840 0.006 0.000 0.914 82 L CB -0.199 41.900 42.059 0.067 0.000 1.193 82 L HN -0.109 8.148 8.230 0.046 0.000 0.502 83 D N 2.003 122.195 120.400 -0.346 0.000 2.218 83 D HA -0.245 4.217 4.640 -0.296 0.000 0.204 83 D C 2.261 178.426 176.300 -0.224 0.000 0.976 83 D CA 3.074 56.807 54.000 -0.444 0.000 0.853 83 D CB -0.133 40.011 40.800 -1.094 0.000 0.939 83 D HN -0.625 7.475 8.370 -0.449 0.000 0.481 84 V N -1.282 118.527 119.914 -0.175 0.000 2.568 84 V HA -0.278 3.784 4.120 -0.098 0.000 0.253 84 V C 0.235 176.301 176.094 -0.047 0.000 1.072 84 V CA 2.740 64.984 62.300 -0.093 0.000 1.084 84 V CB -0.197 31.586 31.823 -0.067 0.000 0.676 84 V HN 0.149 8.191 8.190 -0.195 0.031 0.469 85 V N -6.024 113.872 119.914 -0.030 0.000 3.647 85 V HA 0.096 4.216 4.120 -0.001 0.000 0.279 85 V C -0.069 176.029 176.094 0.008 0.000 1.314 85 V CA -0.680 61.620 62.300 0.000 0.000 1.125 85 V CB -0.940 30.897 31.823 0.023 0.000 0.907 85 V HN -0.737 7.391 8.190 -0.039 0.038 0.434 86 N N 1.456 120.155 118.700 -0.000 0.000 2.508 86 N HA 0.064 4.823 4.740 0.032 0.000 0.264 86 N C -0.408 175.111 175.510 0.015 0.000 1.216 86 N CA 0.922 53.984 53.050 0.022 0.000 0.943 86 N CB 0.478 38.989 38.487 0.039 0.000 1.113 86 N HN -0.572 7.623 8.380 -0.023 0.172 0.447 87 R N -0.987 119.523 120.500 0.017 0.000 2.707 87 R HA 0.184 4.531 4.340 0.011 0.000 0.272 87 R C -1.315 174.992 176.300 0.012 0.000 1.011 87 R CA -2.696 53.410 56.100 0.009 0.000 0.893 87 R CB 3.918 34.217 30.300 -0.002 0.000 1.233 87 R HN 0.222 8.503 8.270 0.020 0.000 0.464 88 N N 0.856 119.563 118.700 0.011 0.000 2.492 88 N HA 0.060 4.953 4.740 0.019 -0.142 0.260 88 N C 0.372 175.880 175.510 -0.004 0.000 1.215 88 N CA 0.594 53.651 53.050 0.011 0.000 0.923 88 N CB 0.323 38.817 38.487 0.011 0.000 1.092 88 N HN 0.219 8.605 8.380 0.010 0.000 0.448 89 I N -4.244 116.323 120.570 -0.005 0.000 2.994 89 I HA 0.350 4.500 4.170 -0.034 0.000 0.306 89 I C -1.649 174.459 176.117 -0.015 0.000 1.195 89 I CA -2.066 59.220 61.300 -0.024 0.000 1.001 89 I CB 3.953 41.931 38.000 -0.036 0.000 1.244 89 I HN 0.052 8.155 8.210 0.006 0.111 0.437 90 D N 2.388 122.771 120.400 -0.029 0.000 2.350 90 D HA 0.142 4.787 4.640 0.008 0.000 0.249 90 D C -1.599 174.702 176.300 0.001 0.000 1.119 90 D CA -1.535 52.461 54.000 -0.006 0.000 0.886 90 D CB -0.333 40.461 40.800 -0.010 0.000 1.195 90 D HN 0.072 8.413 8.370 -0.049 0.000 0.437 91 P HA -0.123 4.411 4.420 -0.048 -0.142 0.263 91 P C -1.781 175.453 177.300 -0.110 0.000 1.195 91 P CA 0.202 63.311 63.100 0.014 0.000 0.762 91 P CB 0.582 32.397 31.700 0.191 0.000 0.799 92 Y N 2.684 122.498 120.300 -0.809 0.000 2.609 92 Y HA 0.207 4.504 4.550 -0.673 -0.152 0.336 92 Y C -1.888 173.080 175.900 -1.553 0.000 1.129 92 Y CA -1.340 56.230 58.100 -0.883 0.000 1.040 92 Y CB 4.481 42.719 38.460 -0.370 0.000 1.310 92 Y HN -0.528 7.304 8.280 -0.746 0.000 0.460 93 A N 4.199 125.976 122.820 -1.738 0.000 3.029 93 A HA 0.136 3.556 4.320 -1.500 0.000 0.251 93 A C -0.759 176.652 177.584 -0.290 0.000 1.749 93 A CA -0.790 50.574 52.037 -1.123 0.000 1.386 93 A CB -2.062 16.584 19.000 -0.589 0.000 1.043 93 A HN -0.042 7.050 8.150 -1.763 0.000 0.638 94 G N -0.543 108.285 108.800 0.048 0.000 2.611 94 G HA2 0.157 4.627 3.960 0.850 0.000 0.273 94 G HA3 0.157 4.504 3.960 0.429 -0.130 0.273 94 G C -0.499 174.791 174.900 0.649 0.000 1.305 94 G CA -0.840 44.592 45.100 0.553 0.000 1.010 94 G HN -0.484 7.590 8.290 -0.229 0.078 0.509 95 V N -1.483 118.632 119.914 0.336 0.000 3.174 95 V HA 0.116 4.570 4.120 0.279 -0.166 0.254 95 V C -0.865 175.308 176.094 0.130 0.000 1.120 95 V CA 0.222 62.577 62.300 0.092 0.000 1.114 95 V CB 1.368 32.861 31.823 -0.550 0.000 0.756 95 V HN -0.139 8.183 8.190 0.220 0.000 0.467 96 L N -1.107 120.241 121.223 0.209 0.000 2.333 96 L HA 0.464 5.044 4.340 0.192 -0.125 0.280 96 L C -2.502 174.557 176.870 0.314 0.000 1.004 96 L CA -1.535 53.451 54.840 0.243 0.000 0.820 96 L CB 2.763 45.003 42.059 0.301 0.000 1.247 96 L HN -0.942 7.425 8.230 0.228 0.000 0.416 97 D N 6.560 127.124 120.400 0.273 0.000 2.381 97 D HA 0.356 5.211 4.640 0.359 0.000 0.235 97 D C -1.918 174.528 176.300 0.243 0.000 1.068 97 D CA -1.656 52.508 54.000 0.272 0.000 0.832 97 D CB 2.782 43.638 40.800 0.095 0.000 1.101 97 D HN 0.515 9.019 8.370 0.222 0.000 0.515 98 R N 6.172 126.809 120.500 0.228 0.000 2.210 98 R HA 0.007 4.407 4.340 -0.095 -0.117 0.338 98 R C -1.069 175.211 176.300 -0.032 0.000 1.062 98 R CA -0.119 55.996 56.100 0.025 0.000 0.902 98 R CB 0.215 30.540 30.300 0.043 0.000 1.050 98 R HN 0.396 8.829 8.270 0.271 0.000 0.461 99 V N 8.860 128.703 119.914 -0.118 0.000 2.348 99 V HA 0.060 4.076 4.120 -0.173 0.000 0.270 99 V C -1.537 174.321 176.094 -0.393 0.000 1.037 99 V CA -1.465 60.701 62.300 -0.223 0.000 0.872 99 V CB 0.183 31.879 31.823 -0.212 0.000 1.002 99 V HN 0.713 8.827 8.190 -0.127 0.000 0.464 100 N N 7.807 126.279 118.700 -0.381 0.000 2.426 100 N HA 0.168 4.733 4.740 -0.292 0.000 0.257 100 N C -0.877 174.369 175.510 -0.440 0.000 1.002 100 N CA -0.679 52.175 53.050 -0.325 0.000 0.942 100 N CB 0.969 39.349 38.487 -0.178 0.000 1.112 100 N HN 0.376 8.571 8.380 -0.309 0.000 0.499 101 Y N 4.071 124.299 120.300 -0.120 0.000 2.565 101 Y HA 0.104 4.604 4.550 -0.083 0.000 0.325 101 Y C 1.341 177.185 175.900 -0.093 0.000 1.221 101 Y CA -1.400 56.634 58.100 -0.110 0.000 1.316 101 Y CB 1.857 40.218 38.460 -0.165 0.000 1.404 101 Y HN 0.067 8.259 8.280 -0.145 0.000 0.527 102 D N -0.182 120.285 120.400 0.113 0.000 2.126 102 D HA -0.262 4.392 4.640 0.023 0.000 0.190 102 D C 0.452 176.767 176.300 0.026 0.000 1.001 102 D CA 2.694 56.719 54.000 0.043 0.000 0.841 102 D CB 0.375 41.193 40.800 0.031 0.000 0.949 102 D HN 0.543 9.006 8.370 0.154 0.000 0.446 103 Q N -4.620 115.215 119.800 0.059 0.000 2.063 103 Q HA 0.148 4.498 4.340 0.016 0.000 0.245 103 Q C -1.944 174.119 176.000 0.104 0.000 0.828 103 Q CA -1.126 54.716 55.803 0.065 0.000 1.089 103 Q CB 1.100 29.884 28.738 0.077 0.000 1.232 103 Q HN 0.268 8.590 8.270 0.086 0.000 0.445 104 M N -1.392 118.221 119.600 0.022 0.000 2.365 104 M HA 0.144 4.697 4.480 -0.116 -0.142 0.288 104 M C -2.731 173.489 176.300 -0.134 0.000 1.152 104 M CA -0.255 55.008 55.300 -0.063 0.000 0.948 104 M CB 3.619 36.169 32.600 -0.083 0.000 1.729 104 M HN -0.805 7.497 8.290 0.020 0.000 0.487 105 S N 4.469 119.974 115.700 -0.325 0.000 2.498 105 S HA 0.723 5.213 4.470 -0.272 -0.184 0.317 105 S C -0.776 173.656 174.600 -0.279 0.000 1.090 105 S CA -1.642 56.336 58.200 -0.369 0.000 1.089 105 S CB 1.281 64.114 63.200 -0.611 0.000 0.997 105 S HN -0.002 8.051 8.310 -0.427 0.000 0.470 106 V N 8.584 128.402 119.914 -0.159 0.000 2.384 106 V HA 0.397 4.879 4.120 -0.017 -0.373 0.287 106 V C -0.717 175.332 176.094 -0.075 0.000 1.020 106 V CA -2.351 59.933 62.300 -0.026 0.000 0.850 106 V CB 1.404 33.340 31.823 0.188 0.000 0.987 106 V HN 0.755 8.854 8.190 -0.152 0.000 0.436 107 Y N 7.767 128.113 120.300 0.076 0.000 2.336 107 Y HA 0.450 5.249 4.550 0.114 -0.181 0.335 107 Y C 0.316 176.302 175.900 0.143 0.000 1.046 107 Y CA -0.149 58.015 58.100 0.107 0.000 1.198 107 Y CB 0.670 39.194 38.460 0.107 0.000 1.182 107 Y HN 0.188 8.508 8.280 0.066 0.000 0.502 108 V N -0.828 119.249 119.914 0.273 0.000 3.007 108 V HA 0.400 4.646 4.120 0.210 0.000 0.311 108 V C -2.020 174.150 176.094 0.127 0.000 1.120 108 V CA -3.400 59.009 62.300 0.181 0.000 0.980 108 V CB 3.458 35.345 31.823 0.107 0.000 1.033 108 V HN 0.266 8.614 8.190 0.263 0.000 0.429 109 G N 0.817 109.669 108.800 0.087 0.000 2.476 109 G HA2 0.290 4.439 3.960 0.048 0.000 0.269 109 G HA3 0.290 4.412 3.960 0.026 -0.147 0.269 109 G C -0.754 174.129 174.900 -0.027 0.000 1.195 109 G CA -0.690 44.431 45.100 0.035 0.000 0.843 109 G HN 0.229 8.581 8.290 0.104 0.000 0.545 110 R N 2.274 122.765 120.500 -0.015 0.000 2.468 110 R HA 0.274 4.514 4.340 -0.167 0.000 0.302 110 R C -1.379 175.040 176.300 0.199 0.000 1.041 110 R CA -1.325 54.726 56.100 -0.082 0.000 0.899 110 R CB 1.492 31.575 30.300 -0.362 0.000 1.167 110 R HN -0.005 8.286 8.270 0.036 0.000 0.483 111 G N 0.547 109.458 108.800 0.185 0.000 2.337 111 G HA2 0.057 4.411 3.960 0.371 0.000 0.298 111 G HA3 0.057 4.374 3.960 0.596 0.000 0.298 111 G C -2.567 172.457 174.900 0.208 0.000 1.335 111 G CA 0.275 45.595 45.100 0.366 0.000 0.875 111 G HN -0.383 8.070 8.290 0.077 -0.117 0.579 112 V N 1.695 121.743 119.914 0.224 0.000 2.403 112 V HA -0.361 3.797 4.120 0.063 0.000 0.265 112 V C 0.393 176.534 176.094 0.078 0.000 1.034 112 V CA 1.614 63.981 62.300 0.111 0.000 1.036 112 V CB -0.717 31.158 31.823 0.088 0.000 1.032 112 V HN -0.003 8.368 8.190 0.301 0.000 0.478 113 G N 5.094 113.886 108.800 -0.013 0.000 2.211 113 G HA2 -0.232 3.705 3.960 -0.168 0.000 0.201 113 G HA3 -0.232 3.678 3.960 -0.083 0.000 0.201 113 G C 0.220 175.033 174.900 -0.145 0.000 0.997 113 G CA -0.494 44.542 45.100 -0.106 0.000 0.652 113 G HN 0.325 8.600 8.290 -0.024 0.000 0.500 114 G N 1.510 110.275 108.800 -0.058 0.000 2.596 114 G HA2 -0.455 3.495 3.960 -0.016 0.000 0.295 114 G HA3 -0.455 3.473 3.960 -0.053 0.000 0.295 114 G C -0.024 174.857 174.900 -0.032 0.000 1.240 114 G CA 0.286 45.361 45.100 -0.042 0.000 0.985 114 G HN -0.074 8.209 8.290 -0.011 0.000 0.555 115 G N 0.341 109.159 108.800 0.031 0.000 2.498 115 G HA2 -0.238 3.763 3.960 0.069 0.000 0.219 115 G HA3 -0.238 3.824 3.960 0.170 0.000 0.219 115 G C 1.068 176.003 174.900 0.058 0.000 1.119 115 G CA 1.592 46.746 45.100 0.091 0.000 0.766 115 G HN 0.280 8.602 8.290 0.055 0.000 0.552 116 S N 1.285 116.948 115.700 -0.061 0.000 2.442 116 S HA -0.249 4.189 4.470 -0.053 0.000 0.236 116 S C 1.177 175.692 174.600 -0.141 0.000 1.007 116 S CA 2.926 61.033 58.200 -0.155 0.000 0.965 116 S CB -0.570 62.360 63.200 -0.450 0.000 0.773 116 S HN -0.527 7.652 8.310 -0.152 0.040 0.504 117 L N -0.859 120.280 121.223 -0.140 0.000 2.109 117 L HA -0.112 4.103 4.340 -0.208 0.000 0.207 117 L C 1.541 178.234 176.870 -0.295 0.000 1.086 117 L CA 2.425 57.136 54.840 -0.215 0.000 0.760 117 L CB 0.185 42.120 42.059 -0.208 0.000 0.910 117 L HN -0.538 7.579 8.230 -0.118 0.042 0.437 118 V N -7.538 112.266 119.914 -0.183 0.000 3.605 118 V HA 0.416 4.509 4.120 -0.263 -0.130 0.284 118 V C -0.384 175.649 176.094 -0.103 0.000 1.386 118 V CA -1.679 60.517 62.300 -0.173 0.000 1.053 118 V CB 0.507 32.271 31.823 -0.098 0.000 0.857 118 V HN -0.614 7.368 8.190 -0.116 0.139 0.436 119 N N 2.906 121.588 118.700 -0.031 0.000 2.379 119 N HA 0.007 4.746 4.740 -0.002 0.000 0.260 119 N C 0.786 176.306 175.510 0.016 0.000 1.254 119 N CA -0.175 52.894 53.050 0.031 0.000 0.958 119 N CB 0.241 38.824 38.487 0.162 0.000 1.208 119 N HN -0.522 7.841 8.380 -0.029 0.000 0.532 120 G N -4.908 103.911 108.800 0.032 0.000 2.920 120 G HA2 -0.130 3.821 3.960 -0.014 0.000 0.208 120 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.208 120 G C -0.092 174.881 174.900 0.122 0.000 1.159 120 G CA -0.341 44.776 45.100 0.028 0.000 0.784 120 G HN 0.246 8.557 8.290 0.034 0.000 0.535 121 G N -0.442 108.505 108.800 0.246 0.000 2.189 121 G HA2 -0.390 3.906 3.960 0.445 0.000 0.267 121 G HA3 -0.390 3.886 3.960 0.243 -0.170 0.267 121 G C 0.416 175.537 174.900 0.368 0.000 0.975 121 G CA 0.384 45.696 45.100 0.353 0.000 0.644 121 G HN -0.416 8.199 8.290 0.272 -0.161 0.537 122 M N 1.928 121.644 119.600 0.194 0.000 2.227 122 M HA 0.017 4.115 4.480 -0.636 0.000 0.349 122 M C -1.678 174.432 176.300 -0.317 0.000 1.443 122 M CA -0.231 55.080 55.300 0.018 0.000 1.110 122 M CB 0.161 32.771 32.600 0.016 0.000 1.773 122 M HN -0.402 nan 8.290 nan 0.000 0.463 123 A N 6.179 128.867 122.820 -0.219 0.000 2.399 123 A HA 0.366 4.183 4.320 -0.839 0.000 0.327 123 A C -1.875 175.595 177.584 -0.189 0.000 1.367 123 A CA -0.577 51.243 52.037 -0.362 0.000 0.842 123 A CB 0.629 19.616 19.000 -0.022 0.000 1.142 123 A HN 0.341 8.460 8.150 -0.051 0.000 0.495 124 V N 3.169 122.937 119.914 -0.243 0.000 2.531 124 V HA 0.071 4.124 4.120 -0.112 0.000 0.301 124 V C -1.242 174.735 176.094 -0.195 0.000 1.034 124 V CA -1.390 60.819 62.300 -0.153 0.000 0.865 124 V CB 3.089 34.863 31.823 -0.083 0.000 0.995 124 V HN -0.011 7.957 8.190 -0.370 0.000 0.424 125 E N 6.413 126.468 120.200 -0.240 0.000 2.313 125 E HA 0.132 4.183 4.350 -0.500 0.000 0.276 125 E C -1.861 174.539 176.600 -0.333 0.000 1.031 125 E CA -3.045 53.093 56.400 -0.436 0.000 0.857 125 E CB 1.031 30.386 29.700 -0.575 0.000 1.040 125 E HN 0.087 8.326 8.360 -0.201 0.000 0.408 126 P HA 0.088 4.393 4.420 -0.193 0.000 0.272 126 P C -0.047 177.223 177.300 -0.050 0.000 1.240 126 P CA -0.324 62.710 63.100 -0.111 0.000 0.791 126 P CB 1.182 32.956 31.700 0.122 0.000 0.978 127 K N 2.903 123.263 120.400 -0.067 0.000 2.436 127 K HA -0.016 3.922 4.320 -0.636 0.000 0.282 127 K C 1.269 177.916 176.600 0.078 0.000 1.044 127 K CA -0.242 56.032 56.287 -0.022 0.000 1.028 127 K CB 0.753 33.244 32.500 -0.015 0.000 0.919 127 K HN 0.280 nan 8.250 nan 0.000 0.474 128 R N 6.047 126.470 120.500 -0.129 0.000 2.091 128 R HA -0.436 3.800 4.340 -0.173 0.000 0.238 128 R C 1.381 177.698 176.300 0.028 0.000 1.136 128 R CA 3.043 58.977 56.100 -0.276 0.000 0.959 128 R CB -0.147 29.666 30.300 -0.812 0.000 0.856 128 R HN 0.649 8.792 8.270 -0.212 0.000 0.437 129 S N -3.106 112.618 115.700 0.040 0.000 2.399 129 S HA -0.112 4.406 4.470 0.081 0.000 0.231 129 S C 1.920 176.650 174.600 0.217 0.000 1.022 129 S CA 2.603 60.870 58.200 0.111 0.000 0.983 129 S CB -1.272 61.986 63.200 0.096 0.000 0.803 129 S HN 0.324 8.625 8.310 -0.004 0.008 0.480 130 Y N 4.298 124.680 120.300 0.136 0.000 2.243 130 Y HA -0.277 4.378 4.550 0.176 0.000 0.293 130 Y C 1.067 177.063 175.900 0.161 0.000 1.124 130 Y CA 1.598 59.800 58.100 0.170 0.000 1.159 130 Y CB 0.332 38.904 38.460 0.187 0.000 1.008 130 Y HN -0.717 7.657 8.280 0.334 0.106 0.527 131 F N 1.279 121.271 119.950 0.071 0.000 2.091 131 F HA -0.560 3.957 4.527 -0.017 0.000 0.299 131 F C 1.341 177.141 175.800 0.001 0.000 1.103 131 F CA 4.520 62.552 58.000 0.054 0.000 1.228 131 F CB 0.112 39.284 39.000 0.287 0.000 0.984 131 F HN 0.187 8.745 8.300 0.429 0.000 0.477 132 E N -2.523 117.804 120.200 0.212 0.000 2.153 132 E HA -0.450 3.984 4.350 0.139 0.000 0.194 132 E C 1.939 178.517 176.600 -0.037 0.000 0.988 132 E CA 2.833 59.297 56.400 0.108 0.000 0.811 132 E CB -0.421 29.359 29.700 0.133 0.000 0.746 132 E HN -0.240 8.295 8.360 0.292 0.000 0.466 133 E N -0.312 119.843 120.200 -0.074 0.000 2.047 133 E HA -0.215 4.102 4.350 -0.055 0.000 0.191 133 E C 2.120 178.586 176.600 -0.222 0.000 0.987 133 E CA 2.570 58.903 56.400 -0.112 0.000 0.799 133 E CB 0.152 29.820 29.700 -0.053 0.000 0.752 133 E HN -0.825 7.408 8.360 -0.040 0.104 0.449 134 I N -6.850 113.477 120.570 -0.405 0.000 2.617 134 I HA -0.111 3.877 4.170 -0.304 0.000 0.256 134 I C 0.126 176.039 176.117 -0.340 0.000 1.167 134 I CA 2.156 63.216 61.300 -0.400 0.000 1.469 134 I CB 1.087 38.764 38.000 -0.538 0.000 1.098 134 I HN -0.394 7.526 8.210 -0.484 0.000 0.436 135 L N -0.650 120.326 121.223 -0.412 0.000 2.594 135 L HA 0.617 4.795 4.340 -0.269 0.000 0.245 135 L C -1.570 175.170 176.870 -0.217 0.000 1.460 135 L CA -2.779 51.840 54.840 -0.367 0.000 0.865 135 L CB 0.881 42.572 42.059 -0.613 0.000 1.131 135 L HN -0.547 7.415 8.230 -0.447 0.000 0.506 136 P HA -0.021 4.482 4.420 -0.030 -0.101 0.226 136 P C 0.264 177.549 177.300 -0.025 0.000 1.153 136 P CA 1.233 64.302 63.100 -0.052 0.000 0.777 136 P CB 0.277 31.952 31.700 -0.042 0.000 0.794 137 R N -2.708 117.764 120.500 -0.046 0.000 2.275 137 R HA 0.037 4.371 4.340 -0.010 0.000 0.199 137 R C -0.022 176.264 176.300 -0.023 0.000 0.989 137 R CA 0.072 56.154 56.100 -0.030 0.000 1.016 137 R CB -0.196 30.077 30.300 -0.045 0.000 0.918 137 R HN 0.029 8.212 8.270 -0.073 0.043 0.473 138 V N -0.091 119.817 119.914 -0.009 0.000 2.509 138 V HA -0.092 4.012 4.120 -0.028 0.000 0.284 138 V C -1.376 174.804 176.094 0.143 0.000 1.047 138 V CA -0.395 61.929 62.300 0.040 0.000 0.952 138 V CB 1.136 33.014 31.823 0.093 0.000 0.988 138 V HN -0.685 7.437 8.190 -0.023 0.054 0.469 139 D N 5.936 126.415 120.400 0.132 0.000 2.363 139 D HA -0.041 4.686 4.640 0.146 0.000 0.263 139 D C 0.165 176.596 176.300 0.218 0.000 1.258 139 D CA 0.349 54.446 54.000 0.161 0.000 0.907 139 D CB 0.752 41.643 40.800 0.151 0.000 1.107 139 D HN 0.391 8.817 8.370 0.094 0.000 0.495 140 S N 5.068 120.916 115.700 0.247 0.000 2.436 140 S HA -0.105 4.548 4.470 0.304 0.000 0.228 140 S C 1.889 176.644 174.600 0.259 0.000 1.014 140 S CA 2.293 60.671 58.200 0.297 0.000 0.950 140 S CB -0.305 63.091 63.200 0.327 0.000 0.784 140 S HN 0.280 8.723 8.310 0.221 0.000 0.504 141 S N 3.546 119.353 115.700 0.178 0.000 2.368 141 S HA -0.294 4.270 4.470 0.157 0.000 0.224 141 S C 1.974 176.653 174.600 0.131 0.000 1.029 141 S CA 3.187 61.473 58.200 0.144 0.000 0.988 141 S CB -0.934 62.321 63.200 0.092 0.000 0.838 141 S HN 0.040 8.676 8.310 0.159 -0.231 0.462 142 E N 2.540 122.821 120.200 0.136 0.000 2.085 142 E HA -0.372 3.981 4.350 0.004 0.000 0.194 142 E C 2.008 178.676 176.600 0.113 0.000 0.994 142 E CA 2.561 59.028 56.400 0.110 0.000 0.801 142 E CB -0.614 29.255 29.700 0.282 0.000 0.743 142 E HN -0.293 8.677 8.360 0.153 -0.519 0.453 143 M N -0.492 119.213 119.600 0.174 0.000 2.067 143 M HA -0.291 4.250 4.480 0.101 0.000 0.260 143 M C 2.435 178.690 176.300 -0.075 0.000 1.069 143 M CA 2.520 57.804 55.300 -0.028 0.000 1.117 143 M CB -0.415 31.960 32.600 -0.374 0.000 1.334 143 M HN -0.844 7.538 8.290 0.180 0.015 0.407 144 Y N -2.603 117.762 120.300 0.108 0.000 2.395 144 Y HA -0.095 4.628 4.550 0.289 0.000 0.293 144 Y C 2.748 178.685 175.900 0.062 0.000 1.123 144 Y CA 2.384 60.568 58.100 0.139 0.000 1.227 144 Y CB -0.076 38.410 38.460 0.042 0.000 1.012 144 Y HN -0.248 8.221 8.280 0.314 0.000 0.552 145 D N -2.601 117.866 120.400 0.111 0.000 2.271 145 D HA 0.021 4.692 4.640 0.051 0.000 0.206 145 D C 0.424 176.683 176.300 -0.067 0.000 0.967 145 D CA 2.401 56.417 54.000 0.025 0.000 0.867 145 D CB 0.520 41.325 40.800 0.007 0.000 0.960 145 D HN -0.240 8.198 8.370 0.112 0.000 0.509 146 R N -2.090 118.299 120.500 -0.186 0.000 2.342 146 R HA 0.114 4.310 4.340 -0.240 0.000 0.179 146 R C 1.689 177.788 176.300 -0.334 0.000 0.989 146 R CA 1.522 57.401 56.100 -0.368 0.000 1.125 146 R CB 1.795 31.667 30.300 -0.714 0.000 1.211 146 R HN -0.530 7.636 8.270 -0.173 0.000 0.568 147 Y N -0.735 119.506 120.300 -0.098 0.000 2.220 147 Y HA -0.255 4.228 4.550 -0.111 0.000 0.291 147 Y C 2.230 178.005 175.900 -0.208 0.000 1.129 147 Y CA 3.036 61.028 58.100 -0.180 0.000 1.161 147 Y CB -0.021 38.264 38.460 -0.291 0.000 0.997 147 Y HN -0.206 7.835 8.280 -0.399 0.000 0.522 148 F N -2.117 117.800 119.950 -0.056 0.000 2.102 148 F HA -0.083 4.392 4.527 -0.086 0.000 0.298 148 F C -0.511 175.266 175.800 -0.039 0.000 1.105 148 F CA 4.754 62.683 58.000 -0.118 0.000 1.239 148 F CB -3.250 35.562 39.000 -0.314 0.000 0.991 148 F HN 0.274 8.513 8.300 -0.101 0.000 0.474 149 P HA -0.282 4.199 4.420 0.102 0.000 0.216 149 P C 1.443 178.792 177.300 0.081 0.000 1.150 149 P CA 2.734 65.888 63.100 0.090 0.000 0.837 149 P CB -0.291 31.436 31.700 0.045 0.000 0.786 150 R N -1.404 119.136 120.500 0.066 0.000 2.073 150 R HA -0.349 4.022 4.340 0.051 0.000 0.234 150 R C 2.077 178.453 176.300 0.128 0.000 1.134 150 R CA 3.347 59.493 56.100 0.076 0.000 0.952 150 R CB -0.172 30.178 30.300 0.083 0.000 0.850 150 R HN -0.463 7.835 8.270 0.047 0.000 0.433 151 A N -1.123 121.799 122.820 0.169 0.000 1.877 151 A HA -0.204 4.313 4.320 0.328 0.000 0.216 151 A C 2.175 179.894 177.584 0.225 0.000 1.186 151 A CA 2.927 55.110 52.037 0.243 0.000 0.620 151 A CB -0.637 18.490 19.000 0.212 0.000 0.822 151 A HN 0.116 8.354 8.150 0.146 0.000 0.443 152 N N -2.454 116.356 118.700 0.182 0.000 2.244 152 N HA -0.313 4.535 4.740 0.179 0.000 0.183 152 N C 2.354 177.932 175.510 0.114 0.000 1.016 152 N CA 2.956 56.099 53.050 0.155 0.000 0.866 152 N CB -0.140 38.426 38.487 0.131 0.000 0.980 152 N HN -0.101 8.387 8.380 0.180 0.000 0.430 153 S N 0.558 116.308 115.700 0.083 0.000 2.371 153 S HA -0.141 4.355 4.470 0.044 0.000 0.224 153 S C 2.490 177.090 174.600 -0.001 0.000 1.029 153 S CA 2.810 61.033 58.200 0.040 0.000 0.978 153 S CB -0.298 62.915 63.200 0.022 0.000 0.833 153 S HN -0.416 7.948 8.310 0.089 0.000 0.466 154 M N 2.846 122.430 119.600 -0.027 0.000 2.254 154 M HA -0.151 4.201 4.480 -0.214 0.000 0.265 154 M C 1.500 177.712 176.300 -0.146 0.000 1.066 154 M CA 1.629 56.806 55.300 -0.205 0.000 1.123 154 M CB 0.187 32.505 32.600 -0.471 0.000 1.388 154 M HN -0.334 7.967 8.290 0.019 0.000 0.425 155 L N -5.875 115.402 121.223 0.090 0.000 2.376 155 L HA -0.149 4.311 4.340 0.199 0.000 0.219 155 L C -0.159 176.765 176.870 0.090 0.000 1.133 155 L CA 0.659 55.608 54.840 0.182 0.000 0.816 155 L CB 0.201 42.457 42.059 0.329 0.000 0.933 155 L HN -0.484 7.834 8.230 0.146 0.000 0.449 156 R N -6.916 113.611 120.500 0.045 0.000 3.527 156 R HA -0.379 3.968 4.340 0.012 0.000 0.288 156 R C -0.673 175.649 176.300 0.036 0.000 1.146 156 R CA 0.016 56.127 56.100 0.019 0.000 0.778 156 R CB -3.038 27.251 30.300 -0.018 0.000 1.289 156 R HN -0.707 7.424 8.270 0.040 0.163 0.454 157 V N -1.424 118.527 119.914 0.062 0.000 2.694 157 V HA -0.293 4.014 4.120 0.044 -0.160 0.306 157 V C 0.110 176.177 176.094 -0.044 0.000 1.054 157 V CA 1.307 63.623 62.300 0.027 0.000 1.161 157 V CB -0.788 31.057 31.823 0.037 0.000 0.916 157 V HN -0.706 7.533 8.190 0.083 0.000 0.490 158 N N 6.241 124.879 118.700 -0.103 0.000 2.902 158 N HA 0.172 4.848 4.740 -0.107 0.000 0.268 158 N C -2.502 172.896 175.510 -0.187 0.000 1.450 158 N CA -1.044 51.956 53.050 -0.083 0.000 0.819 158 N CB 2.891 41.434 38.487 0.093 0.000 1.540 158 N HN 0.581 8.918 8.380 -0.071 0.000 0.545 159 H N -2.546 116.672 119.070 0.246 0.000 2.679 159 H HA 0.409 5.013 4.556 0.079 0.000 0.360 159 H C -1.165 174.060 175.328 -0.170 0.000 1.105 159 H CA -1.078 55.002 56.048 0.054 0.000 1.196 159 H CB 3.050 32.778 29.762 -0.056 0.000 1.636 159 H HN 0.190 8.607 8.280 0.229 0.000 0.531 160 I N 2.864 123.027 120.570 -0.678 0.000 2.692 160 I HA -0.152 3.478 4.170 -0.900 0.000 0.284 160 I C -0.982 174.871 176.117 -0.440 0.000 1.159 160 I CA 0.261 60.997 61.300 -0.941 0.000 1.423 160 I CB 1.274 38.473 38.000 -1.335 0.000 1.380 160 I HN 0.049 7.836 8.210 -0.705 0.000 0.580 161 D N 6.326 126.622 120.400 -0.173 0.000 2.371 161 D HA 0.032 4.603 4.640 -0.115 0.000 0.256 161 D C 0.985 177.256 176.300 -0.049 0.000 1.193 161 D CA 0.187 54.146 54.000 -0.067 0.000 0.881 161 D CB 1.320 42.157 40.800 0.062 0.000 1.143 161 D HN 0.270 8.578 8.370 -0.104 0.000 0.473 162 T N 6.538 120.998 114.554 -0.157 0.000 2.788 162 T HA -0.457 3.748 4.350 -0.242 0.000 0.268 162 T C 2.442 177.217 174.700 0.124 0.000 1.044 162 T CA 2.918 64.950 62.100 -0.114 0.000 1.139 162 T CB -0.011 68.782 68.868 -0.126 0.000 0.867 162 T HN 0.329 8.465 8.240 -0.174 0.000 0.454 163 K N 2.483 122.950 120.400 0.111 0.000 2.026 163 K HA -0.189 3.749 4.320 -0.636 0.000 0.208 163 K C 2.260 178.966 176.600 0.177 0.000 1.048 163 K CA 1.466 57.832 56.287 0.132 0.000 0.929 163 K CB -0.108 32.457 32.500 0.109 0.000 0.713 163 K HN -0.194 nan 8.250 nan 0.000 0.439 164 W N 0.717 122.053 121.300 0.060 0.000 2.335 164 W HA -0.387 4.321 4.660 0.078 0.000 0.311 164 W C 1.115 177.710 176.519 0.127 0.000 1.213 164 W CA 3.298 60.695 57.345 0.087 0.000 1.274 164 W CB 0.233 29.744 29.460 0.084 0.000 1.148 164 W HN -0.377 8.622 8.180 0.352 -0.607 0.498 165 F N -0.964 118.973 119.950 -0.022 0.000 2.120 165 F HA -0.635 3.694 4.527 -0.330 0.000 0.300 165 F C 1.448 177.157 175.800 -0.153 0.000 1.095 165 F CA 4.104 61.995 58.000 -0.182 0.000 1.249 165 F CB 0.141 39.077 39.000 -0.107 0.000 0.995 165 F HN -0.172 8.376 8.300 0.414 0.000 0.480 166 E N -2.763 117.424 120.200 -0.021 0.000 2.150 166 E HA -0.315 3.936 4.350 -0.164 0.000 0.193 166 E C 1.343 177.819 176.600 -0.207 0.000 0.985 166 E CA 2.409 58.753 56.400 -0.092 0.000 0.814 166 E CB -0.441 29.304 29.700 0.075 0.000 0.752 166 E HN -0.492 7.947 8.360 0.161 0.017 0.466 167 D N -3.253 117.025 120.400 -0.202 0.000 2.183 167 D HA 0.065 4.626 4.640 -0.132 0.000 0.205 167 D C 0.592 176.733 176.300 -0.265 0.000 0.962 167 D CA 1.706 55.598 54.000 -0.181 0.000 0.849 167 D CB 0.842 41.586 40.800 -0.093 0.000 0.978 167 D HN -0.544 7.686 8.370 -0.183 0.030 0.488 168 T N 1.462 115.743 114.554 -0.456 0.000 2.919 168 T HA 0.003 4.187 4.350 -0.278 0.000 0.302 168 T C 1.112 175.633 174.700 -0.299 0.000 1.031 168 T CA -0.722 61.123 62.100 -0.425 0.000 1.127 168 T CB 0.969 69.324 68.868 -0.854 0.000 0.952 168 T HN -0.602 7.302 8.240 -0.560 0.000 0.540 169 E N 8.058 128.111 120.200 -0.245 0.000 2.209 169 E HA -0.196 3.996 4.350 -0.263 0.000 0.196 169 E C 1.564 177.960 176.600 -0.341 0.000 0.993 169 E CA 2.514 58.723 56.400 -0.319 0.000 0.819 169 E CB -0.793 28.671 29.700 -0.393 0.000 0.745 169 E HN 0.752 8.995 8.360 -0.195 0.000 0.477 170 W N -1.436 119.748 121.300 -0.193 0.000 2.699 170 W HA -0.098 4.682 4.660 -0.126 -0.196 0.249 170 W C 1.074 177.374 176.519 -0.364 0.000 1.280 170 W CA 1.766 58.978 57.345 -0.223 0.000 1.345 170 W CB 0.425 29.765 29.460 -0.199 0.000 1.128 170 W HN -0.660 7.422 8.180 -0.078 0.051 0.642 171 Y N -4.262 116.003 120.300 -0.058 0.000 2.682 171 Y HA 0.089 4.543 4.550 -0.160 0.000 0.251 171 Y C -0.015 175.592 175.900 -0.490 0.000 1.172 171 Y CA -0.194 57.719 58.100 -0.311 0.000 1.186 171 Y CB 0.158 38.276 38.460 -0.571 0.000 1.216 171 Y HN -0.496 7.643 8.280 -0.136 0.059 0.540 172 K N 3.143 123.428 120.400 -0.192 0.000 2.113 172 K HA -0.459 3.724 4.320 -0.228 0.000 0.208 172 K C 1.112 177.625 176.600 -0.146 0.000 1.047 172 K CA 4.278 60.456 56.287 -0.183 0.000 0.928 172 K CB -0.309 32.102 32.500 -0.148 0.000 0.716 172 K HN -0.664 7.388 8.250 -0.155 0.105 0.446 173 F N -5.035 114.848 119.950 -0.110 0.000 2.161 173 F HA -0.330 4.128 4.527 -0.116 0.000 0.300 173 F C 1.221 177.020 175.800 -0.003 0.000 1.089 173 F CA 2.333 60.279 58.000 -0.090 0.000 1.282 173 F CB -1.523 37.402 39.000 -0.124 0.000 1.010 173 F HN -0.357 8.043 8.300 0.194 0.016 0.485 174 A N 0.631 122.865 122.820 -0.977 0.000 1.897 174 A HA -0.327 3.754 4.320 -0.399 0.000 0.215 174 A C 1.813 179.317 177.584 -0.133 0.000 1.181 174 A CA 2.703 54.424 52.037 -0.526 0.000 0.620 174 A CB -0.491 18.272 19.000 -0.395 0.000 0.821 174 A HN -0.558 6.664 8.150 -1.359 0.113 0.443 175 R N -2.307 118.096 120.500 -0.162 0.000 2.092 175 R HA -0.325 4.024 4.340 0.015 0.000 0.231 175 R C 2.259 178.547 176.300 -0.021 0.000 1.119 175 R CA 3.337 59.398 56.100 -0.065 0.000 0.970 175 R CB -0.123 30.087 30.300 -0.150 0.000 0.864 175 R HN -0.643 7.457 8.270 -0.283 0.000 0.440 176 V N -0.025 119.872 119.914 -0.029 0.000 2.295 176 V HA -0.458 3.682 4.120 0.033 0.000 0.246 176 V C 1.921 178.053 176.094 0.063 0.000 1.049 176 V CA 4.494 66.807 62.300 0.022 0.000 1.024 176 V CB -0.754 31.078 31.823 0.015 0.000 0.648 176 V HN -0.080 8.069 8.190 -0.067 0.000 0.447 177 S N -0.124 115.625 115.700 0.081 0.000 2.402 177 S HA -0.225 4.363 4.470 0.196 0.000 0.229 177 S C 2.119 176.799 174.600 0.133 0.000 1.021 177 S CA 3.476 61.778 58.200 0.170 0.000 0.974 177 S CB -0.554 62.816 63.200 0.283 0.000 0.800 177 S HN -0.643 7.697 8.310 0.049 0.000 0.484 178 R N 2.122 122.670 120.500 0.080 0.000 2.083 178 R HA -0.446 3.920 4.340 0.043 0.000 0.237 178 R C 1.631 177.960 176.300 0.049 0.000 1.137 178 R CA 3.991 60.120 56.100 0.048 0.000 0.951 178 R CB -0.167 30.148 30.300 0.025 0.000 0.851 178 R HN -0.155 8.153 8.270 0.063 0.000 0.434 179 E N -1.282 118.952 120.200 0.057 0.000 2.106 179 E HA -0.258 4.123 4.350 0.052 0.000 0.192 179 E C 2.175 178.820 176.600 0.075 0.000 0.984 179 E CA 2.777 59.215 56.400 0.063 0.000 0.806 179 E CB -0.298 29.446 29.700 0.072 0.000 0.750 179 E HN -0.512 7.882 8.360 0.056 0.000 0.458 180 Q N -2.381 117.472 119.800 0.089 0.000 2.046 180 Q HA -0.206 4.193 4.340 0.098 0.000 0.200 180 Q C 2.350 178.389 176.000 0.066 0.000 0.975 180 Q CA 2.504 58.361 55.803 0.091 0.000 0.836 180 Q CB 0.191 28.989 28.738 0.101 0.000 0.896 180 Q HN -0.501 7.825 8.270 0.092 0.000 0.428 181 A N -1.314 121.543 122.820 0.061 0.000 1.972 181 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 181 A C 2.172 179.759 177.584 0.005 0.000 1.169 181 A CA 2.553 54.601 52.037 0.018 0.000 0.635 181 A CB -0.748 18.259 19.000 0.012 0.000 0.810 181 A HN 0.243 8.441 8.150 0.080 0.000 0.446 182 G N -1.410 107.401 108.800 0.018 0.000 2.422 182 G HA2 -0.322 3.997 3.960 0.002 0.000 0.218 182 G HA3 -0.322 3.648 3.960 0.016 0.000 0.218 182 G C 2.045 176.954 174.900 0.016 0.000 1.140 182 G CA 1.130 46.237 45.100 0.012 0.000 0.775 182 G HN 0.137 8.417 8.290 0.030 0.028 0.545 183 K N 1.904 122.323 120.400 0.031 0.000 2.280 183 K HA -0.117 3.821 4.320 -0.636 0.000 0.202 183 K C 0.938 177.550 176.600 0.020 0.000 1.047 183 K CA 0.421 56.729 56.287 0.035 0.000 0.942 183 K CB -0.631 31.905 32.500 0.059 0.000 0.739 183 K HN 0.423 nan 8.250 nan 0.000 0.457 184 A N -2.555 120.270 122.820 0.008 0.000 2.370 184 A HA -0.004 4.313 4.320 -0.005 0.000 0.238 184 A C 0.084 177.657 177.584 -0.019 0.000 1.289 184 A CA -0.320 51.711 52.037 -0.010 0.000 0.885 184 A CB -0.174 18.807 19.000 -0.032 0.000 0.961 184 A HN -0.298 7.588 8.150 0.009 0.270 0.499 185 G N -0.686 108.107 108.800 -0.011 0.000 2.160 185 G HA2 -0.303 3.652 3.960 -0.009 0.000 0.251 185 G HA3 -0.303 3.648 3.960 -0.015 0.000 0.251 185 G C -0.831 174.056 174.900 -0.021 0.000 1.008 185 G CA 0.643 45.735 45.100 -0.014 0.000 0.724 185 G HN 0.127 8.141 8.290 -0.003 0.274 0.514 186 L N -0.850 120.359 121.223 -0.023 0.000 2.362 186 L HA 0.273 4.596 4.340 -0.028 0.000 0.275 186 L C -0.812 176.047 176.870 -0.019 0.000 0.998 186 L CA -1.501 53.322 54.840 -0.028 0.000 0.820 186 L CB 1.909 43.938 42.059 -0.050 0.000 1.270 186 L HN -0.556 7.577 8.230 -0.019 0.086 0.415 187 G N 0.557 109.345 108.800 -0.020 0.000 2.532 187 G HA2 0.353 4.297 3.960 -0.026 0.000 0.291 187 G HA3 0.353 4.295 3.960 -0.030 0.000 0.291 187 G C -1.936 172.949 174.900 -0.026 0.000 1.349 187 G CA -1.193 43.891 45.100 -0.026 0.000 1.038 187 G HN 0.241 8.519 8.290 -0.019 0.000 0.518 188 T N -4.793 109.727 114.554 -0.057 0.000 2.887 188 T HA 0.651 5.126 4.350 -0.019 -0.136 0.292 188 T C -1.478 173.141 174.700 -0.135 0.000 1.087 188 T CA -2.647 59.405 62.100 -0.080 0.000 1.009 188 T CB 3.574 72.360 68.868 -0.136 0.000 1.203 188 T HN -0.221 7.976 8.240 -0.072 0.000 0.518 189 V N 0.257 120.096 119.914 -0.124 0.000 2.789 189 V HA 0.380 4.392 4.120 -0.179 0.000 0.311 189 V C -1.885 174.085 176.094 -0.206 0.000 1.073 189 V CA -2.610 59.612 62.300 -0.131 0.000 0.921 189 V CB 3.664 35.486 31.823 -0.002 0.000 1.009 189 V HN 0.521 8.672 8.190 -0.065 0.000 0.426 190 F N 6.380 126.272 119.950 -0.097 0.000 2.471 190 F HA 0.245 4.825 4.527 -0.207 -0.177 0.353 190 F C 0.272 176.062 175.800 -0.016 0.000 1.113 190 F CA 0.087 58.001 58.000 -0.142 0.000 1.262 190 F CB 1.063 39.937 39.000 -0.211 0.000 1.146 190 F HN 0.042 8.276 8.300 -0.109 0.000 0.578 191 V N 4.424 124.472 119.914 0.223 0.000 2.328 191 V HA 0.399 4.637 4.120 0.197 0.000 0.278 191 V C -2.168 174.054 176.094 0.214 0.000 1.021 191 V CA -3.615 58.810 62.300 0.208 0.000 0.838 191 V CB 0.788 32.736 31.823 0.209 0.000 0.999 191 V HN 0.130 8.452 8.190 0.220 0.000 0.447 192 P HA 0.139 4.710 4.420 0.100 -0.091 0.271 192 P C -1.526 175.865 177.300 0.152 0.000 1.233 192 P CA -0.508 62.647 63.100 0.091 0.000 0.789 192 P CB 0.980 32.646 31.700 -0.057 0.000 0.951 193 N N -1.373 117.426 118.700 0.165 0.000 2.591 193 N HA 0.542 5.580 4.740 0.160 -0.203 0.263 193 N C -0.106 175.446 175.510 0.071 0.000 1.308 193 N CA -0.624 52.510 53.050 0.140 0.000 0.837 193 N CB 4.255 42.797 38.487 0.091 0.000 1.548 193 N HN -0.111 8.340 8.380 0.118 0.000 0.493 194 V N -1.833 118.160 119.914 0.131 0.000 3.608 194 V HA 0.286 4.434 4.120 0.047 0.000 0.269 194 V C -0.255 175.817 176.094 -0.037 0.000 1.245 194 V CA -0.272 62.072 62.300 0.073 0.000 1.138 194 V CB -0.340 31.564 31.823 0.136 0.000 0.841 194 V HN 0.163 8.481 8.190 0.213 0.000 0.451 195 Y N 3.614 123.787 120.300 -0.211 0.000 2.442 195 Y HA -0.242 4.330 4.550 -0.211 -0.149 0.330 195 Y C -0.921 174.723 175.900 -0.426 0.000 1.129 195 Y CA 0.908 58.827 58.100 -0.301 0.000 1.365 195 Y CB 0.389 38.653 38.460 -0.326 0.000 1.233 195 Y HN -0.037 8.651 8.280 0.034 -0.388 0.529 196 D N 7.453 127.656 120.400 -0.329 0.000 2.346 196 D HA -0.128 4.585 4.640 -0.095 -0.130 0.260 196 D C 0.508 176.849 176.300 0.069 0.000 1.252 196 D CA 0.062 53.985 54.000 -0.128 0.000 0.895 196 D CB 0.231 40.955 40.800 -0.127 0.000 1.097 196 D HN -0.126 7.871 8.370 -0.622 0.000 0.489 197 F N 6.100 126.146 119.950 0.160 0.000 2.325 197 F HA -0.332 4.311 4.527 0.194 0.000 0.299 197 F C 1.883 177.653 175.800 -0.051 0.000 1.090 197 F CA 3.149 61.214 58.000 0.108 0.000 1.392 197 F CB -0.027 39.017 39.000 0.074 0.000 1.053 197 F HN 0.262 8.970 8.300 0.144 -0.321 0.521 198 G N -0.781 108.095 108.800 0.127 0.000 2.418 198 G HA2 -0.421 3.491 3.960 -0.080 0.000 0.217 198 G HA3 -0.421 3.546 3.960 0.013 0.000 0.217 198 G C 0.553 175.431 174.900 -0.036 0.000 1.158 198 G CA 2.054 47.151 45.100 -0.006 0.000 0.771 198 G HN -0.313 8.289 8.290 0.157 -0.218 0.545 199 Y N 3.473 123.736 120.300 -0.062 0.000 2.128 199 Y HA -0.421 4.081 4.550 -0.080 0.000 0.284 199 Y C 1.406 177.280 175.900 -0.043 0.000 1.154 199 Y CA 3.730 61.792 58.100 -0.065 0.000 1.149 199 Y CB 0.247 38.650 38.460 -0.094 0.000 0.976 199 Y HN -0.424 8.529 8.280 0.181 -0.564 0.505 200 M N -0.632 119.076 119.600 0.179 0.000 2.159 200 M HA -0.479 4.323 4.480 0.168 -0.221 0.263 200 M C 2.054 178.185 176.300 -0.281 0.000 1.063 200 M CA 3.682 59.032 55.300 0.084 0.000 1.110 200 M CB -0.070 32.672 32.600 0.236 0.000 1.374 200 M HN -0.442 7.933 8.290 0.274 0.080 0.411 201 Q N -1.217 118.233 119.800 -0.584 0.000 2.124 201 Q HA -0.386 3.287 4.340 -1.111 0.000 0.202 201 Q C 2.481 178.269 176.000 -0.353 0.000 0.977 201 Q CA 3.453 58.765 55.803 -0.818 0.000 0.850 201 Q CB -0.210 27.940 28.738 -0.979 0.000 0.901 201 Q HN -0.366 7.615 8.270 -0.482 0.000 0.429 202 R N -1.154 119.148 120.500 -0.329 0.000 2.092 202 R HA -0.294 3.917 4.340 -0.215 0.000 0.231 202 R C 2.532 178.651 176.300 -0.301 0.000 1.119 202 R CA 3.522 59.444 56.100 -0.297 0.000 0.970 202 R CB -0.113 29.966 30.300 -0.368 0.000 0.864 202 R HN -0.543 7.519 8.270 -0.346 0.000 0.440 203 E N 0.191 120.173 120.200 -0.363 0.000 2.058 203 E HA -0.286 3.885 4.350 -0.300 0.000 0.194 203 E C 2.645 179.136 176.600 -0.181 0.000 0.997 203 E CA 2.973 59.202 56.400 -0.286 0.000 0.801 203 E CB -0.244 29.309 29.700 -0.245 0.000 0.746 203 E HN -0.175 7.858 8.360 -0.411 0.080 0.450 204 A N -1.456 121.299 122.820 -0.108 0.000 1.969 204 A HA -0.211 4.114 4.320 0.007 0.000 0.218 204 A C 1.179 178.848 177.584 0.141 0.000 1.169 204 A CA 2.283 54.368 52.037 0.080 0.000 0.635 204 A CB -0.516 18.729 19.000 0.407 0.000 0.810 204 A HN -0.568 7.513 8.150 -0.116 0.000 0.445 205 A N -4.400 118.453 122.820 0.055 0.000 2.238 205 A HA 0.009 4.381 4.320 0.087 0.000 0.208 205 A C 0.325 177.909 177.584 0.000 0.000 1.177 205 A CA -0.362 51.700 52.037 0.042 0.000 0.804 205 A CB -0.073 18.933 19.000 0.010 0.000 0.823 205 A HN -0.644 7.397 8.150 0.002 0.110 0.482 206 G N -1.410 107.375 108.800 -0.026 0.000 2.160 206 G HA2 -0.322 3.612 3.960 -0.043 0.000 0.251 206 G HA3 -0.322 3.629 3.960 -0.014 0.000 0.251 206 G C 0.353 175.213 174.900 -0.068 0.000 1.008 206 G CA 1.047 46.124 45.100 -0.038 0.000 0.724 206 G HN -0.419 7.662 8.290 -0.034 0.189 0.514 207 E N -2.238 117.896 120.200 -0.110 0.000 2.364 207 E HA 0.040 4.339 4.350 -0.086 0.000 0.196 207 E C -0.546 175.958 176.600 -0.160 0.000 0.990 207 E CA 0.325 56.653 56.400 -0.121 0.000 0.886 207 E CB 1.347 30.970 29.700 -0.127 0.000 0.866 207 E HN -0.229 8.029 8.360 -0.132 0.023 0.493 208 V N -4.434 115.339 119.914 -0.236 0.000 3.114 208 V HA 0.492 4.499 4.120 -0.189 0.000 0.308 208 V C -2.888 173.062 176.094 -0.240 0.000 1.168 208 V CA -3.816 58.318 62.300 -0.277 0.000 1.015 208 V CB 0.551 32.047 31.823 -0.544 0.000 1.050 208 V HN -0.736 7.305 8.190 -0.247 0.000 0.433 209 P HA -0.018 4.323 4.420 -0.133 0.000 0.264 209 P C -1.168 176.071 177.300 -0.102 0.000 1.193 209 P CA 0.206 63.173 63.100 -0.222 0.000 0.763 209 P CB 0.060 31.454 31.700 -0.511 0.000 0.810 210 K N 3.459 123.852 120.400 -0.012 0.000 2.237 210 K HA -0.173 4.322 4.320 0.047 -0.146 0.270 210 K C -0.827 175.893 176.600 0.200 0.000 1.015 210 K CA 0.979 57.297 56.287 0.051 0.000 0.949 210 K CB 0.789 33.264 32.500 -0.041 0.000 0.976 210 K HN 0.002 8.239 8.250 -0.022 0.000 0.472 211 S N 3.698 119.534 115.700 0.226 0.000 4.403 211 S HA 0.152 4.832 4.470 0.205 -0.087 0.183 211 S C 1.017 175.680 174.600 0.105 0.000 1.070 211 S CA 1.480 59.824 58.200 0.239 0.000 1.145 211 S CB 0.566 63.977 63.200 0.353 0.000 1.585 211 S HN 0.634 9.441 8.310 0.198 -0.378 0.634 212 A N 5.134 128.008 122.820 0.091 0.000 1.948 212 A HA -0.119 4.093 4.320 -0.180 0.000 0.220 212 A C 1.428 178.885 177.584 -0.212 0.000 1.177 212 A CA 2.912 54.834 52.037 -0.193 0.000 0.636 212 A CB 0.042 18.682 19.000 -0.600 0.000 0.815 212 A HN -0.109 8.226 8.150 0.309 0.000 0.449 213 L N -5.523 115.525 121.223 -0.292 0.000 2.653 213 L HA 0.046 3.981 4.340 -0.674 0.000 0.232 213 L C -0.279 176.409 176.870 -0.303 0.000 1.169 213 L CA 0.010 54.468 54.840 -0.636 0.000 0.951 213 L CB -0.714 40.608 42.059 -1.229 0.000 1.181 213 L HN -0.442 7.931 8.230 -0.201 -0.265 0.460 214 A N -1.261 121.508 122.820 -0.085 0.000 2.674 214 A HA 0.445 4.798 4.320 0.056 0.000 0.286 214 A C -1.005 176.599 177.584 0.034 0.000 0.980 214 A CA -1.075 50.975 52.037 0.021 0.000 1.028 214 A CB 0.269 19.298 19.000 0.047 0.000 1.199 214 A HN -0.361 7.538 8.150 -0.079 0.203 0.499 215 T N -4.769 109.791 114.554 0.010 0.000 3.882 215 T HA -0.563 3.760 4.350 -0.045 0.000 0.366 215 T C -1.131 173.552 174.700 -0.028 0.000 0.760 215 T CA 0.517 62.608 62.100 -0.015 0.000 1.931 215 T CB -2.073 66.796 68.868 0.001 0.000 1.807 215 T HN -0.220 8.019 8.240 -0.001 0.000 0.790 216 E N -0.319 119.859 120.200 -0.037 0.000 2.222 216 E HA 0.459 4.774 4.350 -0.060 0.000 0.267 216 E C -2.438 174.097 176.600 -0.109 0.000 0.884 216 E CA -0.868 55.502 56.400 -0.050 0.000 0.764 216 E CB 4.045 33.756 29.700 0.017 0.000 1.169 216 E HN -0.633 7.706 8.360 -0.036 0.000 0.413 217 V N 3.528 123.330 119.914 -0.187 0.000 4.496 217 V HA 0.166 4.405 4.120 -0.166 -0.219 0.146 217 V C -0.500 175.421 176.094 -0.287 0.000 1.365 217 V CA 1.640 63.818 62.300 -0.204 0.000 1.001 217 V CB 2.380 34.098 31.823 -0.175 0.000 1.083 217 V HN 0.007 8.061 8.190 -0.228 0.000 0.624 218 I N 0.484 120.818 120.570 -0.393 0.000 2.928 218 I HA -0.196 4.017 4.170 -0.297 -0.221 0.266 218 I C -1.386 174.510 176.117 -0.368 0.000 1.234 218 I CA 1.623 62.670 61.300 -0.421 0.000 1.483 218 I CB 0.307 37.996 38.000 -0.518 0.000 1.097 218 I HN -0.665 7.284 8.210 -0.435 0.000 0.455 219 Y N -4.013 116.171 120.300 -0.193 0.000 2.658 219 Y HA 0.072 4.488 4.550 -0.224 0.000 0.276 219 Y C -0.972 174.626 175.900 -0.504 0.000 1.167 219 Y CA -2.758 55.203 58.100 -0.233 0.000 1.230 219 Y CB -0.844 37.559 38.460 -0.095 0.000 1.144 219 Y HN -0.426 7.540 8.280 -0.468 0.033 0.529 220 G N -0.203 108.232 108.800 -0.609 0.000 2.629 220 G HA2 -0.342 3.183 3.960 -1.142 0.000 0.686 220 G HA3 -0.342 2.106 3.960 -2.521 0.000 0.686 220 G C -1.888 172.595 174.900 -0.695 0.000 1.232 220 G CA -0.396 43.936 45.100 -1.280 0.000 0.803 220 G HN -0.680 7.174 8.290 -0.450 0.166 0.638 221 N N 0.879 119.250 118.700 -0.549 0.000 2.407 221 N HA 0.153 4.986 4.740 -0.044 -0.120 0.277 221 N C -0.186 175.365 175.510 0.069 0.000 0.995 221 N CA -0.566 52.419 53.050 -0.108 0.000 0.903 221 N CB 2.199 40.681 38.487 -0.008 0.000 1.218 221 N HN 0.216 8.168 8.380 -0.713 0.000 0.487 222 N N 3.157 121.915 118.700 0.096 0.000 2.453 222 N HA -0.088 4.681 4.740 0.048 0.000 0.183 222 N C -0.725 174.375 175.510 -0.683 0.000 1.041 222 N CA 1.977 54.936 53.050 -0.153 0.000 0.900 222 N CB 0.823 39.178 38.487 -0.219 0.000 0.961 222 N HN 0.244 9.022 8.380 0.102 -0.336 0.443 223 H N -1.165 117.897 119.070 -0.014 0.000 3.008 223 H HA 0.225 4.619 4.556 -0.270 0.000 0.354 223 H C 0.043 175.085 175.328 -0.477 0.000 1.252 223 H CA -0.294 55.609 56.048 -0.243 0.000 1.117 223 H CB 3.581 33.233 29.762 -0.183 0.000 1.857 223 H HN -1.036 7.173 8.280 -0.051 0.041 0.547 224 G N 1.386 109.697 108.800 -0.816 0.000 2.458 224 G HA2 -0.467 2.711 3.960 -1.304 0.000 0.237 224 G HA3 -0.467 2.522 3.960 -1.619 0.000 0.237 224 G C -0.976 173.167 174.900 -1.261 0.000 1.113 224 G CA 1.003 45.321 45.100 -1.305 0.000 0.655 224 G HN 0.410 8.219 8.290 -0.801 0.000 0.513 225 K N 2.965 122.885 120.400 -0.799 0.000 2.276 225 K HA 0.060 4.099 4.320 -0.469 0.000 0.285 225 K C -0.486 175.955 176.600 -0.265 0.000 1.062 225 K CA -0.950 55.089 56.287 -0.415 0.000 0.918 225 K CB 0.306 32.750 32.500 -0.093 0.000 1.055 225 K HN -0.622 7.191 8.250 -0.588 0.085 0.477 226 Q N 8.289 127.967 119.800 -0.203 0.000 3.026 226 Q HA 0.120 4.372 4.340 -0.147 0.000 0.258 226 Q C -1.002 174.937 176.000 -0.102 0.000 1.388 226 Q CA -0.717 55.004 55.803 -0.136 0.000 1.000 226 Q CB -1.802 26.874 28.738 -0.102 0.000 1.634 226 Q HN -0.193 7.959 8.270 -0.197 0.000 0.571 227 S N -0.147 115.487 115.700 -0.111 0.000 2.606 227 S HA -0.038 4.339 4.470 -0.156 0.000 0.257 227 S C 1.057 175.584 174.600 -0.121 0.000 1.327 227 S CA -0.113 58.010 58.200 -0.128 0.000 0.984 227 S CB 1.121 64.257 63.200 -0.107 0.000 0.941 227 S HN -0.472 7.714 8.310 -0.114 0.056 0.576 228 L N -0.554 120.558 121.223 -0.186 0.000 2.275 228 L HA -0.062 4.223 4.340 -0.091 0.000 0.215 228 L C 1.900 178.728 176.870 -0.071 0.000 1.119 228 L CA 2.450 57.197 54.840 -0.154 0.000 0.790 228 L CB -0.300 41.570 42.059 -0.316 0.000 0.919 228 L HN 0.099 8.182 8.230 -0.244 0.000 0.443 229 D N -1.770 118.595 120.400 -0.057 0.000 2.221 229 D HA -0.317 4.311 4.640 -0.020 0.000 0.204 229 D C 1.346 177.632 176.300 -0.025 0.000 0.982 229 D CA 2.850 56.838 54.000 -0.020 0.000 0.857 229 D CB -1.135 39.676 40.800 0.018 0.000 0.934 229 D HN 0.288 8.594 8.370 -0.066 0.024 0.475 230 K N -2.190 118.187 120.400 -0.039 0.000 2.167 230 K HA -0.030 4.263 4.320 -0.045 0.000 0.203 230 K C 0.898 177.465 176.600 -0.055 0.000 1.052 230 K CA 1.606 57.863 56.287 -0.050 0.000 0.956 230 K CB 0.266 32.725 32.500 -0.069 0.000 0.735 230 K HN -0.234 7.965 8.250 -0.046 0.022 0.451 231 T N -3.640 110.886 114.554 -0.047 0.000 3.274 231 T HA 0.049 4.340 4.350 -0.099 0.000 0.186 231 T C 0.789 175.450 174.700 -0.066 0.000 0.799 231 T CA 0.728 62.784 62.100 -0.073 0.000 1.611 231 T CB 0.515 69.349 68.868 -0.056 0.000 2.155 231 T HN -0.961 7.142 8.240 -0.036 0.115 0.427 232 Y N 1.138 121.397 120.300 -0.068 0.000 2.128 232 Y HA -0.339 4.181 4.550 -0.049 0.000 0.284 232 Y C 2.295 178.152 175.900 -0.071 0.000 1.154 232 Y CA 4.028 62.089 58.100 -0.064 0.000 1.149 232 Y CB -0.043 38.374 38.460 -0.071 0.000 0.976 232 Y HN -0.007 8.385 8.280 0.187 0.000 0.505 233 L N -2.668 118.601 121.223 0.077 0.000 2.109 233 L HA -0.390 3.962 4.340 0.019 0.000 0.207 233 L C 2.137 179.005 176.870 -0.004 0.000 1.086 233 L CA 2.879 57.729 54.840 0.016 0.000 0.760 233 L CB -0.734 41.317 42.059 -0.014 0.000 0.910 233 L HN 0.091 8.364 8.230 0.071 0.000 0.437 234 A N -0.469 122.342 122.820 -0.015 0.000 1.908 234 A HA -0.360 3.946 4.320 -0.023 0.000 0.218 234 A C 1.898 179.464 177.584 -0.031 0.000 1.181 234 A CA 2.987 55.008 52.037 -0.026 0.000 0.627 234 A CB -1.197 17.782 19.000 -0.035 0.000 0.818 234 A HN -0.334 7.808 8.150 -0.014 0.000 0.445 235 A N -2.641 120.156 122.820 -0.039 0.000 1.898 235 A HA -0.301 3.991 4.320 -0.048 0.000 0.216 235 A C 1.794 179.362 177.584 -0.027 0.000 1.181 235 A CA 2.672 54.681 52.037 -0.046 0.000 0.620 235 A CB -0.618 18.335 19.000 -0.080 0.000 0.819 235 A HN -0.375 7.750 8.150 -0.042 0.000 0.442 236 A N -1.139 121.675 122.820 -0.010 0.000 1.877 236 A HA -0.358 3.952 4.320 -0.016 0.000 0.216 236 A C 1.896 179.466 177.584 -0.024 0.000 1.186 236 A CA 2.811 54.839 52.037 -0.014 0.000 0.620 236 A CB -0.545 18.448 19.000 -0.011 0.000 0.822 236 A HN -0.346 7.729 8.150 0.001 0.075 0.443 237 L N -2.569 118.641 121.223 -0.023 0.000 2.079 237 L HA -0.249 4.075 4.340 -0.026 0.000 0.210 237 L C 3.301 180.157 176.870 -0.024 0.000 1.081 237 L CA 2.224 57.049 54.840 -0.024 0.000 0.752 237 L CB -0.441 41.604 42.059 -0.023 0.000 0.896 237 L HN -0.042 8.176 8.230 -0.021 0.000 0.433 238 G N -2.858 105.927 108.800 -0.025 0.000 2.509 238 G HA2 -0.212 3.734 3.960 -0.023 0.000 0.218 238 G HA3 -0.212 3.731 3.960 -0.027 0.000 0.218 238 G C 0.206 175.092 174.900 -0.023 0.000 1.124 238 G CA 1.534 46.620 45.100 -0.025 0.000 0.776 238 G HN -0.170 7.995 8.290 -0.026 0.109 0.547 239 T N -1.994 112.546 114.554 -0.024 0.000 2.995 239 T HA -0.156 4.181 4.350 -0.022 0.000 0.269 239 T C 1.284 175.973 174.700 -0.019 0.000 1.091 239 T CA 0.400 62.486 62.100 -0.022 0.000 1.128 239 T CB 0.421 69.274 68.868 -0.025 0.000 0.891 239 T HN -0.709 7.354 8.240 -0.025 0.162 0.492 240 G N 1.219 110.008 108.800 -0.018 0.000 2.184 240 G HA2 -0.317 3.634 3.960 -0.015 0.000 0.264 240 G HA3 -0.317 3.636 3.960 -0.013 0.000 0.264 240 G C 0.416 175.307 174.900 -0.014 0.000 0.975 240 G CA 0.848 45.939 45.100 -0.015 0.000 0.642 240 G HN -0.344 7.880 8.290 -0.020 0.054 0.536 241 K N -2.958 117.431 120.400 -0.018 0.000 2.402 241 K HA 0.261 4.574 4.320 -0.011 0.000 0.204 241 K C -1.896 174.690 176.600 -0.025 0.000 1.056 241 K CA -0.336 55.941 56.287 -0.017 0.000 1.069 241 K CB 1.737 34.227 32.500 -0.017 0.000 0.888 241 K HN -0.396 7.777 8.250 -0.021 0.064 0.546 242 V N -0.567 119.330 119.914 -0.029 0.000 2.588 242 V HA 0.893 5.206 4.120 -0.040 -0.216 0.304 242 V C -0.442 175.631 176.094 -0.035 0.000 1.042 242 V CA -2.141 60.136 62.300 -0.037 0.000 0.877 242 V CB 2.087 33.884 31.823 -0.043 0.000 0.996 242 V HN -0.575 7.599 8.190 -0.027 0.000 0.425 243 T N 8.525 123.055 114.554 -0.040 0.000 2.856 243 T HA 0.419 4.745 4.350 -0.040 0.000 0.283 243 T C -1.782 172.887 174.700 -0.052 0.000 1.008 243 T CA -1.103 60.970 62.100 -0.044 0.000 0.997 243 T CB 2.015 70.855 68.868 -0.047 0.000 0.992 243 T HN 0.289 8.504 8.240 -0.042 0.000 0.454 244 I N 3.970 124.508 120.570 -0.053 0.000 2.418 244 I HA 0.301 4.601 4.170 -0.058 -0.166 0.287 244 I C -1.250 174.821 176.117 -0.078 0.000 1.008 244 I CA -1.275 59.991 61.300 -0.056 0.000 1.104 244 I CB 1.807 39.785 38.000 -0.037 0.000 1.264 244 I HN 0.192 8.372 8.210 -0.050 0.000 0.438 245 Q N 9.280 129.009 119.800 -0.118 0.000 2.325 245 Q HA 0.427 4.666 4.340 -0.170 0.000 0.262 245 Q C -1.592 174.345 176.000 -0.103 0.000 0.968 245 Q CA -2.077 53.605 55.803 -0.203 0.000 0.877 245 Q CB 2.449 30.917 28.738 -0.450 0.000 1.253 245 Q HN 0.519 8.722 8.270 -0.113 0.000 0.448 246 T N 1.654 116.208 114.554 -0.000 0.000 2.936 246 T HA 0.556 5.110 4.350 0.085 -0.154 0.282 246 T C 0.591 175.435 174.700 0.239 0.000 1.003 246 T CA -2.796 59.358 62.100 0.091 0.000 1.005 246 T CB 1.853 70.743 68.868 0.036 0.000 1.097 246 T HN 0.246 8.476 8.240 -0.016 0.000 0.532 247 L N -2.702 118.636 121.223 0.191 0.000 3.839 247 L HA -0.460 4.234 4.340 0.191 -0.239 0.416 247 L C -1.755 175.197 176.870 0.136 0.000 1.195 247 L CA 0.954 55.897 54.840 0.172 0.000 0.946 247 L CB -2.461 39.653 42.059 0.091 0.000 1.891 247 L HN 0.410 8.735 8.230 0.158 0.000 0.963 248 H N -1.502 117.602 119.070 0.056 0.000 2.708 248 H HA 0.676 5.465 4.556 0.038 -0.210 0.320 248 H C -0.857 174.498 175.328 0.046 0.000 0.991 248 H CA -1.140 54.932 56.048 0.041 0.000 1.243 248 H CB 1.255 31.031 29.762 0.024 0.000 1.446 248 H HN -0.490 7.924 8.280 0.292 0.042 0.502 249 Q N 5.490 125.350 119.800 0.101 0.000 2.325 249 Q HA 0.331 4.722 4.340 0.084 0.000 0.262 249 Q C -1.758 174.276 176.000 0.057 0.000 0.968 249 Q CA -1.807 54.044 55.803 0.079 0.000 0.877 249 Q CB 2.113 30.896 28.738 0.076 0.000 1.253 249 Q HN 0.364 8.662 8.270 0.045 0.000 0.448 250 V N 8.087 128.030 119.914 0.049 0.000 2.572 250 V HA -0.202 4.078 4.120 0.038 -0.137 0.291 250 V C 0.174 176.279 176.094 0.018 0.000 1.039 250 V CA 1.102 63.421 62.300 0.032 0.000 1.055 250 V CB -0.445 31.390 31.823 0.021 0.000 0.969 250 V HN 0.644 8.864 8.190 0.050 0.000 0.482 251 K N 6.141 126.549 120.400 0.014 0.000 2.306 251 K HA 0.314 4.642 4.320 0.014 0.000 0.200 251 K C -0.155 176.444 176.600 -0.002 0.000 1.083 251 K CA 0.673 56.966 56.287 0.010 0.000 0.959 251 K CB 1.819 34.328 32.500 0.013 0.000 0.994 251 K HN 0.771 9.031 8.250 0.016 0.000 0.492 252 T N -5.766 108.783 114.554 -0.007 0.000 2.903 252 T HA 0.272 4.600 4.350 -0.037 0.000 0.299 252 T C -2.124 172.562 174.700 -0.023 0.000 1.093 252 T CA -1.654 60.433 62.100 -0.022 0.000 1.002 252 T CB 2.825 71.683 68.868 -0.016 0.000 1.127 252 T HN -0.837 7.403 8.240 0.000 0.000 0.488 253 I N 1.897 122.441 120.570 -0.043 0.000 2.533 253 I HA 0.562 4.881 4.170 -0.008 -0.153 0.290 253 I C -1.788 174.313 176.117 -0.027 0.000 1.056 253 I CA -1.041 60.237 61.300 -0.037 0.000 1.057 253 I CB 3.211 41.154 38.000 -0.095 0.000 1.240 253 I HN 0.558 8.733 8.210 -0.058 0.000 0.423 254 R N 2.633 123.147 120.500 0.024 0.000 2.817 254 R HA 0.685 5.159 4.340 -0.007 -0.138 0.268 254 R C -2.403 173.933 176.300 0.060 0.000 1.027 254 R CA -2.711 53.400 56.100 0.019 0.000 0.928 254 R CB 3.893 34.192 30.300 -0.000 0.000 1.228 254 R HN 0.326 8.626 8.270 0.050 0.000 0.469 255 Q N 1.840 121.637 119.800 -0.005 0.000 2.278 255 Q HA 0.404 4.682 4.340 -0.364 -0.156 0.257 255 Q C 0.197 176.116 176.000 -0.135 0.000 0.928 255 Q CA -1.116 54.586 55.803 -0.167 0.000 0.932 255 Q CB 2.458 31.142 28.738 -0.089 0.000 1.221 255 Q HN 0.169 8.442 8.270 0.004 0.000 0.434 256 T N 4.370 118.805 114.554 -0.198 0.000 2.860 256 T HA -0.005 4.298 4.350 -0.077 0.000 0.299 256 T C 1.555 176.191 174.700 -0.106 0.000 1.045 256 T CA -0.257 61.772 62.100 -0.119 0.000 1.071 256 T CB 0.640 69.444 68.868 -0.107 0.000 0.985 256 T HN 0.138 8.090 8.240 -0.301 0.108 0.537 257 K N 2.935 123.294 120.400 -0.069 0.000 2.001 257 K HA -0.176 3.762 4.320 -0.636 0.000 0.214 257 K C 0.582 177.145 176.600 -0.061 0.000 1.050 257 K CA 1.954 58.210 56.287 -0.052 0.000 0.934 257 K CB -0.369 32.106 32.500 -0.042 0.000 0.718 257 K HN 0.452 nan 8.250 nan 0.000 0.443 258 D N -0.184 120.175 120.400 -0.069 0.000 2.369 258 D HA 0.054 4.312 4.640 -0.636 0.000 0.211 258 D C -0.332 175.914 176.300 -0.090 0.000 1.077 258 D CA -0.150 53.807 54.000 -0.072 0.000 0.842 258 D CB 0.607 41.366 40.800 -0.069 0.000 0.947 258 D HN 0.261 nan 8.370 nan 0.000 0.509 259 G N -0.434 108.297 108.800 -0.115 0.000 2.764 259 G HA2 -0.140 3.438 3.960 -0.636 0.000 0.678 259 G HA3 -0.140 3.438 3.960 -0.636 0.000 0.678 259 G C -1.522 173.263 174.900 -0.191 0.000 1.341 259 G CA -0.517 44.494 45.100 -0.149 0.000 0.836 259 G HN -0.675 nan 8.290 nan 0.000 0.632 260 G N 0.939 109.532 108.800 -0.346 0.000 2.466 260 G HA2 -0.237 3.509 3.960 -0.357 0.000 0.316 260 G HA3 -0.237 3.694 3.960 -0.173 -0.075 0.316 260 G C -2.148 172.319 174.900 -0.722 0.000 1.270 260 G CA -0.359 44.513 45.100 -0.380 0.000 0.982 260 G HN -0.289 7.854 8.290 -0.245 0.000 0.506 261 Y N -0.593 119.695 120.300 -0.019 0.000 2.462 261 Y HA 0.626 5.311 4.550 -0.050 -0.165 0.346 261 Y C -1.847 174.045 175.900 -0.012 0.000 0.976 261 Y CA -1.583 56.493 58.100 -0.040 0.000 1.044 261 Y CB 4.169 42.583 38.460 -0.076 0.000 1.230 261 Y HN -0.303 7.971 8.280 -0.011 0.000 0.455 262 A N 0.318 123.204 122.820 0.110 0.000 2.371 262 A HA 0.773 5.290 4.320 0.077 -0.151 0.311 262 A C -2.572 175.048 177.584 0.061 0.000 1.068 262 A CA -2.059 50.021 52.037 0.071 0.000 0.744 262 A CB 3.550 22.573 19.000 0.038 0.000 1.239 262 A HN 0.819 9.034 8.150 0.109 0.000 0.435 263 L N 1.535 122.788 121.223 0.050 0.000 2.362 263 L HA 0.867 5.427 4.340 0.026 -0.204 0.271 263 L C -0.052 176.837 176.870 0.032 0.000 1.002 263 L CA -2.339 52.521 54.840 0.034 0.000 0.818 263 L CB 3.419 45.498 42.059 0.033 0.000 1.298 263 L HN 0.635 8.896 8.230 0.052 0.000 0.420 264 T N 5.983 120.551 114.554 0.023 0.000 2.771 264 T HA 0.415 5.182 4.350 0.026 -0.402 0.291 264 T C -1.269 173.447 174.700 0.027 0.000 0.954 264 T CA 0.797 62.910 62.100 0.022 0.000 1.045 264 T CB 0.820 69.696 68.868 0.013 0.000 0.917 264 T HN 0.028 8.277 8.240 0.016 0.000 0.484 265 V N 6.601 126.536 119.914 0.034 0.000 2.525 265 V HA 0.499 4.816 4.120 0.043 -0.171 0.299 265 V C -1.688 174.409 176.094 0.005 0.000 1.034 265 V CA -1.919 60.409 62.300 0.047 0.000 0.863 265 V CB 2.081 33.968 31.823 0.108 0.000 0.999 265 V HN 0.744 8.953 8.190 0.032 0.000 0.423 266 E N 6.740 126.924 120.200 -0.025 0.000 2.197 266 E HA 0.402 4.847 4.350 -0.080 -0.142 0.281 266 E C -1.581 174.900 176.600 -0.198 0.000 0.995 266 E CA -1.218 55.133 56.400 -0.081 0.000 0.808 266 E CB 2.052 31.720 29.700 -0.052 0.000 1.093 266 E HN 0.386 8.743 8.360 -0.004 0.000 0.394 267 Q N 6.743 126.363 119.800 -0.299 0.000 2.314 267 Q HA 0.706 4.874 4.340 -0.642 -0.214 0.259 267 Q C -1.295 174.574 176.000 -0.219 0.000 0.951 267 Q CA -1.131 54.387 55.803 -0.476 0.000 0.909 267 Q CB 2.489 30.886 28.738 -0.567 0.000 1.236 267 Q HN 0.377 8.515 8.270 -0.221 0.000 0.444 268 K N 7.398 127.706 120.400 -0.153 0.000 2.295 268 K HA 0.844 5.283 4.320 -0.090 -0.173 0.239 268 K C -0.706 175.862 176.600 -0.053 0.000 0.991 268 K CA -1.787 54.448 56.287 -0.087 0.000 0.845 268 K CB 3.659 36.113 32.500 -0.077 0.000 1.197 268 K HN -0.030 8.124 8.250 -0.160 0.000 0.441 269 D N -0.734 119.643 120.400 -0.038 0.000 2.466 269 D HA 0.193 4.818 4.640 -0.025 0.000 0.262 269 D C 1.693 177.982 176.300 -0.019 0.000 1.177 269 D CA -1.398 52.588 54.000 -0.023 0.000 1.035 269 D CB 0.965 41.757 40.800 -0.013 0.000 1.105 269 D HN 0.059 8.403 8.370 -0.043 0.000 0.551 270 T N -7.620 106.904 114.554 -0.050 0.000 3.072 270 T HA -0.219 3.999 4.350 -0.220 0.000 0.266 270 T C 0.258 174.913 174.700 -0.076 0.000 1.127 270 T CA 2.240 64.236 62.100 -0.172 0.000 1.107 270 T CB -0.231 68.480 68.868 -0.262 0.000 0.910 270 T HN 0.100 8.317 8.240 -0.037 0.000 0.513 271 D N 1.008 121.450 120.400 0.070 0.000 2.340 271 D HA 0.063 4.819 4.640 0.193 0.000 0.220 271 D C 0.971 177.404 176.300 0.221 0.000 1.039 271 D CA 0.419 54.514 54.000 0.159 0.000 0.866 271 D CB -0.054 40.806 40.800 0.100 0.000 0.913 271 D HN -0.599 7.936 8.370 0.047 -0.137 0.523 272 G N 0.298 109.175 108.800 0.128 0.000 2.159 272 G HA2 -0.435 3.363 3.960 -0.271 0.000 0.256 272 G HA3 -0.435 3.294 3.960 -0.385 0.000 0.256 272 G C -0.070 174.741 174.900 -0.147 0.000 0.977 272 G CA 0.376 45.368 45.100 -0.180 0.000 0.652 272 G HN -0.441 7.788 8.290 0.122 0.134 0.531 273 K N 1.317 121.680 120.400 -0.062 0.000 2.322 273 K HA 0.156 4.094 4.320 -0.636 0.000 0.283 273 K C -0.964 175.595 176.600 -0.069 0.000 1.042 273 K CA -1.238 55.013 56.287 -0.059 0.000 0.958 273 K CB 0.833 33.316 32.500 -0.029 0.000 0.984 273 K HN -0.401 nan 8.250 nan 0.000 0.473 274 L N 5.613 126.794 121.223 -0.071 0.000 2.418 274 L HA -0.112 4.292 4.340 -0.082 -0.113 0.274 274 L C -0.403 176.434 176.870 -0.056 0.000 1.135 274 L CA 1.062 55.860 54.840 -0.070 0.000 0.870 274 L CB 0.414 42.435 42.059 -0.063 0.000 1.154 274 L HN 0.419 8.607 8.230 -0.070 0.000 0.462 275 L N 7.714 128.899 121.223 -0.065 0.000 2.316 275 L HA 0.102 4.418 4.340 -0.039 0.000 0.207 275 L C 0.093 176.935 176.870 -0.047 0.000 1.070 275 L CA 0.625 55.434 54.840 -0.051 0.000 0.820 275 L CB 0.699 42.726 42.059 -0.054 0.000 0.992 275 L HN 0.940 9.121 8.230 -0.081 0.000 0.466 276 A N -3.660 119.122 122.820 -0.063 0.000 2.605 276 A HA 0.296 4.597 4.320 -0.032 0.000 0.294 276 A C -2.533 175.017 177.584 -0.055 0.000 1.062 276 A CA 0.053 52.062 52.037 -0.046 0.000 0.682 276 A CB 2.634 21.614 19.000 -0.032 0.000 1.278 276 A HN -0.681 7.419 8.150 -0.083 0.000 0.410 277 T N 2.942 117.479 114.554 -0.029 0.000 2.812 277 T HA 0.747 5.261 4.350 -0.030 -0.182 0.282 277 T C -0.658 174.044 174.700 0.004 0.000 0.990 277 T CA -0.823 61.266 62.100 -0.019 0.000 0.960 277 T CB 1.432 70.292 68.868 -0.013 0.000 0.948 277 T HN 0.105 8.334 8.240 -0.020 0.000 0.438 278 K N 6.107 126.519 120.400 0.020 0.000 2.328 278 K HA 0.347 4.688 4.320 0.035 0.000 0.246 278 K C -1.966 174.660 176.600 0.044 0.000 0.955 278 K CA -1.776 54.536 56.287 0.042 0.000 0.817 278 K CB 3.537 36.083 32.500 0.077 0.000 1.208 278 K HN 0.733 8.994 8.250 0.018 0.000 0.432 279 E N 1.890 122.115 120.200 0.042 0.000 2.113 279 E HA 0.762 5.539 4.350 0.040 -0.403 0.273 279 E C -0.837 175.793 176.600 0.050 0.000 0.924 279 E CA -1.713 54.712 56.400 0.042 0.000 0.764 279 E CB 0.823 30.544 29.700 0.035 0.000 1.104 279 E HN 0.261 8.646 8.360 0.041 0.000 0.406 280 I N 5.543 126.143 120.570 0.049 0.000 2.465 280 I HA 0.403 4.772 4.170 0.045 -0.172 0.291 280 I C -1.455 174.690 176.117 0.047 0.000 1.014 280 I CA -1.214 60.112 61.300 0.043 0.000 1.093 280 I CB 2.722 40.742 38.000 0.033 0.000 1.267 280 I HN 0.256 8.494 8.210 0.048 0.000 0.431 281 S N 6.421 122.154 115.700 0.055 0.000 2.638 281 S HA 1.035 5.709 4.470 0.081 -0.156 0.302 281 S C -1.120 173.465 174.600 -0.025 0.000 1.096 281 S CA -1.633 56.618 58.200 0.085 0.000 0.953 281 S CB 3.503 66.806 63.200 0.173 0.000 1.107 281 S HN 0.272 8.617 8.310 0.058 0.000 0.503 282 C N -1.716 117.601 119.300 0.028 0.000 3.320 282 C HA 0.948 5.227 4.460 -0.595 -0.177 0.335 282 C C -0.869 174.181 174.990 0.100 0.000 1.430 282 C CA -1.393 57.542 59.018 -0.139 0.000 1.271 282 C CB 3.174 30.878 27.740 -0.061 0.000 1.609 282 C HN 0.493 8.794 8.230 0.117 0.000 0.457 283 R N 1.543 122.066 120.500 0.039 0.000 2.075 283 R HA -0.046 4.257 4.340 -0.062 0.000 0.220 283 R C -0.261 175.906 176.300 -0.222 0.000 1.118 283 R CA 1.904 57.926 56.100 -0.130 0.000 0.986 283 R CB 1.577 31.678 30.300 -0.332 0.000 0.884 283 R HN -0.043 8.202 8.270 -0.041 0.000 0.439 284 Y N -3.540 116.898 120.300 0.230 0.000 2.364 284 Y HA 0.389 5.222 4.550 0.198 -0.163 0.340 284 Y C -1.724 174.286 175.900 0.184 0.000 0.975 284 Y CA -1.451 56.794 58.100 0.242 0.000 1.089 284 Y CB 2.476 41.172 38.460 0.393 0.000 1.192 284 Y HN -0.351 8.019 8.280 0.151 0.000 0.454 285 L N 2.381 123.651 121.223 0.078 0.000 2.349 285 L HA 0.662 5.247 4.340 0.155 -0.152 0.278 285 L C -2.341 174.444 176.870 -0.141 0.000 0.996 285 L CA -1.390 53.437 54.840 -0.023 0.000 0.825 285 L CB 3.526 45.413 42.059 -0.286 0.000 1.243 285 L HN 0.240 8.431 8.230 -0.066 0.000 0.412 286 F N 5.382 125.386 119.950 0.091 0.000 2.449 286 F HA 0.373 5.155 4.527 0.173 -0.151 0.342 286 F C -1.542 174.269 175.800 0.018 0.000 1.127 286 F CA -1.695 56.368 58.000 0.105 0.000 0.975 286 F CB 2.873 41.924 39.000 0.085 0.000 1.146 286 F HN 0.724 9.270 8.300 0.411 0.000 0.444 287 L N 3.208 124.509 121.223 0.130 0.000 2.265 287 L HA 0.183 4.552 4.340 0.048 0.000 0.288 287 L C -1.037 175.882 176.870 0.081 0.000 1.058 287 L CA -0.163 54.712 54.840 0.058 0.000 0.809 287 L CB 0.250 42.302 42.059 -0.012 0.000 1.179 287 L HN 0.683 8.978 8.230 0.108 0.000 0.429 288 G N 1.603 110.438 108.800 0.059 0.000 4.543 288 G HA2 0.284 4.404 3.960 0.052 0.000 0.286 288 G HA3 0.284 4.248 3.960 0.039 0.020 0.286 288 G C -0.822 174.092 174.900 0.025 0.000 1.112 288 G CA 0.196 45.322 45.100 0.044 0.000 0.870 288 G HN 0.556 8.876 8.290 0.051 0.000 0.540 289 A N 0.771 123.600 122.820 0.014 0.000 2.278 289 A HA 0.132 4.450 4.320 -0.003 0.000 0.212 289 A C -0.964 176.624 177.584 0.007 0.000 1.213 289 A CA -0.653 51.384 52.037 -0.001 0.000 0.840 289 A CB 0.282 19.272 19.000 -0.016 0.000 0.866 289 A HN -0.403 7.770 8.150 0.014 -0.015 0.489 290 G N -1.666 107.153 108.800 0.031 0.000 2.746 290 G HA2 -0.349 3.661 3.960 0.083 0.000 0.685 290 G HA3 -0.349 3.651 3.960 0.067 0.000 0.685 290 G C 0.162 175.096 174.900 0.055 0.000 1.350 290 G CA -0.439 44.698 45.100 0.061 0.000 0.837 290 G HN -0.523 7.957 8.290 0.035 -0.169 0.564 291 S N 0.384 116.152 115.700 0.113 0.000 2.372 291 S HA -0.345 4.256 4.470 0.128 -0.053 0.227 291 S C 2.246 176.864 174.600 0.030 0.000 1.044 291 S CA 3.076 61.368 58.200 0.154 0.000 1.050 291 S CB -0.278 63.114 63.200 0.320 0.000 0.901 291 S HN 0.472 8.864 8.310 0.136 0.000 0.447 292 L N -0.738 120.508 121.223 0.038 0.000 2.044 292 L HA -0.168 3.961 4.340 -0.351 0.000 0.205 292 L C 2.166 178.923 176.870 -0.188 0.000 1.075 292 L CA 2.222 56.992 54.840 -0.118 0.000 0.747 292 L CB -0.488 41.622 42.059 0.085 0.000 0.903 292 L HN -0.178 8.121 8.230 0.115 0.000 0.435 293 G N -2.508 106.245 108.800 -0.078 0.000 2.394 293 G HA2 -0.258 3.660 3.960 -0.071 0.000 0.215 293 G HA3 -0.258 3.813 3.960 -0.047 -0.139 0.215 293 G C 1.220 176.066 174.900 -0.089 0.000 1.165 293 G CA 1.861 46.918 45.100 -0.072 0.000 0.784 293 G HN -0.432 7.837 8.290 -0.034 0.000 0.535 294 S N 2.590 118.243 115.700 -0.078 0.000 2.368 294 S HA -0.338 4.093 4.470 -0.066 0.000 0.224 294 S C 2.033 176.563 174.600 -0.118 0.000 1.029 294 S CA 3.851 62.007 58.200 -0.074 0.000 0.988 294 S CB 0.075 63.254 63.200 -0.036 0.000 0.838 294 S HN -0.032 8.242 8.310 -0.059 0.000 0.462 295 T N 5.071 119.512 114.554 -0.188 0.000 2.746 295 T HA -0.357 3.898 4.350 -0.157 0.000 0.267 295 T C 1.411 175.958 174.700 -0.255 0.000 1.039 295 T CA 4.783 66.729 62.100 -0.256 0.000 1.142 295 T CB -0.030 68.547 68.868 -0.485 0.000 0.866 295 T HN -0.724 7.399 8.240 -0.195 0.000 0.444 296 E N 2.138 122.171 120.200 -0.278 0.000 2.077 296 E HA -0.326 3.950 4.350 -0.123 0.000 0.193 296 E C 2.197 178.746 176.600 -0.085 0.000 0.989 296 E CA 3.137 59.450 56.400 -0.144 0.000 0.800 296 E CB -0.195 29.453 29.700 -0.087 0.000 0.746 296 E HN -0.566 7.604 8.360 -0.317 0.000 0.452 297 L N -1.552 119.615 121.223 -0.093 0.000 2.042 297 L HA -0.365 3.930 4.340 -0.076 0.000 0.210 297 L C 2.425 179.224 176.870 -0.119 0.000 1.076 297 L CA 3.184 57.970 54.840 -0.090 0.000 0.749 297 L CB -0.030 41.979 42.059 -0.082 0.000 0.893 297 L HN -0.587 7.582 8.230 -0.102 0.000 0.432 298 L N -2.635 118.517 121.223 -0.118 0.000 2.131 298 L HA -0.404 3.855 4.340 -0.135 0.000 0.206 298 L C 2.145 178.948 176.870 -0.113 0.000 1.087 298 L CA 2.861 57.630 54.840 -0.118 0.000 0.767 298 L CB -0.438 41.564 42.059 -0.095 0.000 0.917 298 L HN -0.548 7.613 8.230 -0.115 0.000 0.441 299 V N -0.373 119.484 119.914 -0.094 0.000 2.343 299 V HA -0.494 3.596 4.120 -0.050 0.000 0.247 299 V C 1.832 177.771 176.094 -0.258 0.000 1.051 299 V CA 4.261 66.514 62.300 -0.078 0.000 1.036 299 V CB -0.901 30.936 31.823 0.024 0.000 0.654 299 V HN 0.077 8.213 8.190 -0.090 0.000 0.451 300 R N -0.220 120.071 120.500 -0.348 0.000 2.083 300 R HA -0.494 2.926 4.340 -1.532 0.000 0.237 300 R C 2.170 178.183 176.300 -0.479 0.000 1.137 300 R CA 4.062 59.735 56.100 -0.711 0.000 0.951 300 R CB -0.190 29.909 30.300 -0.336 0.000 0.851 300 R HN -0.162 7.987 8.270 -0.202 0.000 0.434 301 A N -1.810 120.852 122.820 -0.263 0.000 1.933 301 A HA -0.171 4.046 4.320 -0.173 0.000 0.218 301 A C 2.571 180.063 177.584 -0.152 0.000 1.175 301 A CA 2.704 54.630 52.037 -0.184 0.000 0.628 301 A CB -0.658 18.247 19.000 -0.159 0.000 0.814 301 A HN -0.268 7.746 8.150 -0.226 0.000 0.444 302 R N -1.060 119.356 120.500 -0.140 0.000 2.070 302 R HA -0.263 4.246 4.340 -0.031 -0.188 0.233 302 R C 1.607 177.856 176.300 -0.085 0.000 1.137 302 R CA 2.971 59.029 56.100 -0.071 0.000 0.945 302 R CB 0.202 30.480 30.300 -0.037 0.000 0.845 302 R HN -0.249 7.928 8.270 -0.155 0.000 0.430 303 D N -3.095 117.205 120.400 -0.166 0.000 2.347 303 D HA -0.020 4.606 4.640 -0.024 0.000 0.213 303 D C 1.647 177.891 176.300 -0.093 0.000 0.985 303 D CA 2.168 56.110 54.000 -0.097 0.000 0.879 303 D CB 0.049 40.842 40.800 -0.013 0.000 0.919 303 D HN -0.420 7.799 8.370 -0.253 0.000 0.526 304 T N -6.318 108.126 114.554 -0.184 0.000 3.086 304 T HA 0.175 4.518 4.350 -0.012 0.000 0.250 304 T C 1.138 175.813 174.700 -0.042 0.000 1.074 304 T CA -0.287 61.765 62.100 -0.081 0.000 0.988 304 T CB 0.680 69.486 68.868 -0.104 0.000 0.988 304 T HN -0.360 7.713 8.240 -0.279 0.000 0.530 305 G N 2.499 111.273 108.800 -0.043 0.000 2.143 305 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.249 305 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.249 305 G C 0.477 175.373 174.900 -0.007 0.000 0.981 305 G CA 0.595 45.689 45.100 -0.011 0.000 0.665 305 G HN -0.422 7.667 8.290 -0.062 0.163 0.528 306 T N -3.165 111.371 114.554 -0.030 0.000 3.051 306 T HA -0.018 4.328 4.350 -0.007 0.000 0.255 306 T C -0.310 174.377 174.700 -0.022 0.000 1.085 306 T CA 0.752 62.838 62.100 -0.024 0.000 1.109 306 T CB 0.923 69.766 68.868 -0.040 0.000 0.921 306 T HN -0.402 7.806 8.240 -0.054 0.000 0.488 307 L N 1.108 122.312 121.223 -0.032 0.000 2.529 307 L HA 0.681 5.054 4.340 0.054 0.000 0.246 307 L C -2.188 174.765 176.870 0.139 0.000 1.394 307 L CA -2.638 52.197 54.840 -0.010 0.000 0.906 307 L CB 1.152 43.049 42.059 -0.270 0.000 1.170 307 L HN -0.478 7.620 8.230 -0.046 0.104 0.501 308 P HA 0.012 4.472 4.420 0.067 0.000 0.230 308 P C -0.261 177.111 177.300 0.120 0.000 1.158 308 P CA 1.095 64.258 63.100 0.105 0.000 0.769 308 P CB 0.030 31.771 31.700 0.069 0.000 0.807 309 N N -1.822 116.997 118.700 0.199 0.000 2.268 309 N HA 0.146 4.899 4.740 0.021 0.000 0.204 309 N C -0.037 175.543 175.510 0.118 0.000 1.124 309 N CA -0.632 52.446 53.050 0.048 0.000 0.838 309 N CB 0.542 38.908 38.487 -0.202 0.000 0.994 309 N HN -0.396 8.149 8.380 0.370 0.057 0.489 310 L N -0.362 121.007 121.223 0.243 0.000 2.483 310 L HA -0.209 4.251 4.340 0.201 0.000 0.276 310 L C 0.082 177.000 176.870 0.080 0.000 1.213 310 L CA 0.935 55.876 54.840 0.169 0.000 0.843 310 L CB 0.375 42.501 42.059 0.112 0.000 1.107 310 L HN -0.908 7.425 8.230 0.272 0.061 0.487 311 N N 0.655 119.391 118.700 0.062 0.000 2.405 311 N HA 0.015 4.777 4.740 0.035 0.000 0.269 311 N C 0.836 176.371 175.510 0.042 0.000 1.249 311 N CA -1.041 52.034 53.050 0.041 0.000 0.974 311 N CB 0.980 39.486 38.487 0.032 0.000 1.204 311 N HN -0.051 8.370 8.380 0.069 0.000 0.565 312 S N -3.584 112.138 115.700 0.037 0.000 2.481 312 S HA -0.151 4.345 4.470 0.043 0.000 0.231 312 S C 1.537 176.167 174.600 0.049 0.000 0.996 312 S CA 2.080 60.304 58.200 0.041 0.000 0.942 312 S CB -0.517 62.705 63.200 0.035 0.000 0.768 312 S HN 0.300 8.629 8.310 0.032 0.000 0.520 313 E N 0.820 121.049 120.200 0.047 0.000 2.358 313 E HA -0.028 4.358 4.350 0.060 0.000 0.195 313 E C 0.016 176.656 176.600 0.067 0.000 1.010 313 E CA 0.309 56.742 56.400 0.055 0.000 0.856 313 E CB -0.039 29.689 29.700 0.046 0.000 0.795 313 E HN -0.556 7.961 8.360 0.042 -0.131 0.504 314 V N -0.138 119.811 119.914 0.059 0.000 2.540 314 V HA -0.505 3.650 4.120 0.057 0.000 0.297 314 V C 0.909 177.055 176.094 0.086 0.000 1.024 314 V CA 2.239 64.574 62.300 0.057 0.000 1.105 314 V CB -1.761 30.082 31.823 0.033 0.000 0.938 314 V HN -0.834 7.482 8.190 0.052 -0.095 0.482 315 G N 7.024 115.897 108.800 0.122 0.000 2.254 315 G HA2 -0.377 3.738 3.960 0.257 0.000 0.225 315 G HA3 -0.377 3.699 3.960 0.193 0.000 0.225 315 G C -1.589 173.474 174.900 0.272 0.000 1.003 315 G CA 0.297 45.527 45.100 0.216 0.000 0.622 315 G HN 0.884 9.239 8.290 0.108 0.000 0.507 316 A N 0.357 123.291 122.820 0.189 0.000 2.252 316 A HA 0.335 4.757 4.320 0.170 0.000 0.305 316 A C -0.559 177.146 177.584 0.202 0.000 1.097 316 A CA -1.559 50.581 52.037 0.171 0.000 0.849 316 A CB 1.244 20.311 19.000 0.112 0.000 1.142 316 A HN -0.601 7.575 8.150 0.153 0.066 0.499 317 G N -2.539 106.372 108.800 0.184 0.000 2.182 317 G HA2 -0.409 3.634 3.960 0.139 0.000 0.248 317 G HA3 -0.409 3.628 3.960 0.127 0.000 0.248 317 G C -0.611 174.409 174.900 0.201 0.000 1.042 317 G CA -0.116 45.081 45.100 0.162 0.000 0.775 317 G HN 0.371 8.763 8.290 0.171 0.000 0.501 318 W N 2.613 123.959 121.300 0.078 0.000 2.315 318 W HA 0.240 5.121 4.660 0.079 -0.173 0.316 318 W C -2.007 174.512 176.519 -0.001 0.000 1.211 318 W CA 0.180 57.552 57.345 0.045 0.000 1.201 318 W CB 1.564 31.003 29.460 -0.035 0.000 1.184 318 W HN -0.409 8.004 8.180 0.388 0.000 0.544 319 G N 3.910 112.109 108.800 -1.000 0.000 2.690 319 G HA2 0.459 3.786 3.960 -1.054 0.000 0.293 319 G HA3 0.459 4.074 3.960 -0.575 0.000 0.293 319 G C -3.065 170.831 174.900 -1.673 0.000 1.399 319 G CA -1.208 43.219 45.100 -1.121 0.000 0.890 319 G HN 0.583 8.188 8.290 -1.142 0.000 0.485 320 P HA 0.222 4.120 4.420 -0.869 0.000 0.249 320 P C -0.499 176.612 177.300 -0.315 0.000 1.544 320 P CA -0.944 61.691 63.100 -0.775 0.000 0.932 320 P CB -0.415 30.972 31.700 -0.522 0.000 1.524 321 N N -0.147 118.390 118.700 -0.271 0.000 2.708 321 N HA -0.435 4.401 4.740 -0.041 -0.121 0.249 321 N C -0.225 175.306 175.510 0.035 0.000 1.097 321 N CA 1.083 54.094 53.050 -0.064 0.000 0.710 321 N CB -1.107 37.372 38.487 -0.014 0.000 1.032 321 N HN -0.388 7.661 8.380 -0.393 0.096 0.551 322 G N -7.183 101.631 108.800 0.024 0.000 2.225 322 G HA2 -0.539 3.487 3.960 0.110 0.000 0.267 322 G HA3 -0.539 3.699 3.960 0.159 -0.183 0.267 322 G C -0.489 174.489 174.900 0.129 0.000 1.024 322 G CA 0.598 45.764 45.100 0.110 0.000 0.784 322 G HN 0.575 8.797 8.290 -0.053 0.037 0.507 323 N N 1.474 120.235 118.700 0.102 0.000 2.452 323 N HA 0.203 5.238 4.740 0.169 -0.194 0.266 323 N C -1.224 174.386 175.510 0.167 0.000 1.209 323 N CA 0.906 54.047 53.050 0.153 0.000 0.929 323 N CB 0.887 39.480 38.487 0.176 0.000 1.063 323 N HN -0.656 7.728 8.380 0.049 0.025 0.472 324 I N 2.031 122.713 120.570 0.186 0.000 2.619 324 I HA 0.478 4.894 4.170 0.159 -0.151 0.292 324 I C -1.983 174.237 176.117 0.171 0.000 1.100 324 I CA -2.446 58.964 61.300 0.182 0.000 1.043 324 I CB 3.776 41.907 38.000 0.217 0.000 1.239 324 I HN 0.162 8.488 8.210 0.195 0.000 0.420 325 M N 7.077 126.725 119.600 0.080 0.000 2.472 325 M HA 0.891 5.627 4.480 0.123 -0.182 0.331 325 M C -1.671 174.616 176.300 -0.022 0.000 1.170 325 M CA -1.457 53.877 55.300 0.057 0.000 1.009 325 M CB 3.669 36.301 32.600 0.053 0.000 1.672 325 M HN 0.033 8.335 8.290 0.020 0.000 0.453 326 T N 3.642 118.206 114.554 0.017 0.000 2.739 326 T HA 0.660 5.098 4.350 -0.076 -0.134 0.303 326 T C -2.815 171.872 174.700 -0.023 0.000 1.389 326 T CA -1.862 60.142 62.100 -0.160 0.000 1.001 326 T CB 2.646 71.125 68.868 -0.649 0.000 1.436 326 T HN 0.150 8.426 8.240 0.060 0.000 0.500 327 A N -0.504 122.281 122.820 -0.059 0.000 2.574 327 A HA 0.862 5.370 4.320 0.036 -0.166 0.297 327 A C -2.206 175.417 177.584 0.065 0.000 1.062 327 A CA -0.843 51.199 52.037 0.008 0.000 0.686 327 A CB 3.317 22.285 19.000 -0.052 0.000 1.285 327 A HN 0.319 8.369 8.150 -0.167 0.000 0.403 328 R N 0.153 120.710 120.500 0.095 0.000 2.670 328 R HA 0.448 4.894 4.340 -0.003 -0.108 0.289 328 R C -1.528 174.773 176.300 0.003 0.000 0.965 328 R CA -1.868 54.257 56.100 0.043 0.000 0.899 328 R CB 4.487 34.844 30.300 0.095 0.000 1.173 328 R HN 0.413 8.743 8.270 0.100 0.000 0.456 329 A N 3.418 126.218 122.820 -0.033 0.000 2.302 329 A HA 0.154 4.481 4.320 0.012 0.000 0.295 329 A C -1.403 176.112 177.584 -0.115 0.000 1.235 329 A CA -0.764 51.253 52.037 -0.032 0.000 0.876 329 A CB 0.528 19.515 19.000 -0.022 0.000 1.133 329 A HN 0.243 8.363 8.150 -0.051 0.000 0.533 330 N N 5.865 124.520 118.700 -0.075 0.000 2.503 330 N HA -0.009 4.553 4.740 -0.296 0.000 0.267 330 N C -0.388 174.934 175.510 -0.312 0.000 1.214 330 N CA -0.059 52.882 53.050 -0.182 0.000 0.959 330 N CB 1.672 40.145 38.487 -0.024 0.000 1.142 330 N HN -0.284 8.106 8.380 0.016 0.000 0.455 331 H N 0.259 119.064 119.070 -0.441 0.000 2.929 331 H HA -0.057 4.059 4.556 -0.733 0.000 0.358 331 H C 1.390 176.285 175.328 -0.722 0.000 1.111 331 H CA 1.000 56.524 56.048 -0.873 0.000 1.409 331 H CB 0.930 29.550 29.762 -1.902 0.000 1.373 331 H HN 0.187 7.982 8.280 -0.808 0.000 0.610 332 M N 1.820 121.090 119.600 -0.549 0.000 2.202 332 M HA -0.209 3.907 4.480 -0.606 0.000 0.262 332 M C 0.502 176.877 176.300 0.125 0.000 1.063 332 M CA 2.309 57.427 55.300 -0.305 0.000 1.097 332 M CB -0.245 32.220 32.600 -0.226 0.000 1.382 332 M HN 0.423 8.371 8.290 -0.570 0.000 0.413 333 W N -5.340 116.060 121.300 0.167 0.000 3.180 333 W HA -0.017 4.731 4.660 0.146 0.000 0.254 333 W C -1.092 175.529 176.519 0.169 0.000 1.318 333 W CA -1.392 56.040 57.345 0.145 0.000 1.608 333 W CB -0.623 28.877 29.460 0.067 0.000 1.124 333 W HN -0.252 7.632 8.180 -0.437 0.034 0.694 334 N N 0.428 119.130 118.700 0.004 0.000 2.914 334 N HA 0.364 5.176 4.740 0.120 0.000 0.304 334 N C -2.631 172.933 175.510 0.090 0.000 1.727 334 N CA -2.233 50.854 53.050 0.061 0.000 0.986 334 N CB -0.377 38.101 38.487 -0.015 0.000 1.297 334 N HN -0.371 7.737 8.380 -0.146 0.184 0.490 335 P HA 0.022 4.305 4.420 -0.375 -0.088 0.271 335 P C -0.159 177.027 177.300 -0.190 0.000 1.218 335 P CA 0.077 63.051 63.100 -0.209 0.000 0.780 335 P CB 0.597 32.132 31.700 -0.274 0.000 0.901 336 T N -3.078 111.309 114.554 -0.278 0.000 3.060 336 T HA 0.041 4.335 4.350 -0.094 0.000 0.249 336 T C -0.118 174.464 174.700 -0.198 0.000 1.079 336 T CA -0.375 61.626 62.100 -0.165 0.000 1.013 336 T CB 1.110 69.901 68.868 -0.128 0.000 0.975 336 T HN 0.004 8.341 8.240 -0.409 -0.343 0.518 337 G N 1.161 109.764 108.800 -0.328 0.000 2.712 337 G HA2 -0.218 3.520 3.960 -0.370 0.000 0.686 337 G HA3 -0.218 3.565 3.960 -0.295 0.000 0.686 337 G C -0.813 173.826 174.900 -0.434 0.000 1.181 337 G CA -0.402 44.486 45.100 -0.354 0.000 0.762 337 G HN -0.592 7.879 8.290 -0.405 -0.425 0.641 338 A N 0.698 123.199 122.820 -0.531 0.000 2.123 338 A HA -0.057 3.960 4.320 -0.505 0.000 0.214 338 A C -1.123 176.094 177.584 -0.612 0.000 1.152 338 A CA 0.925 52.603 52.037 -0.597 0.000 0.728 338 A CB 0.608 19.210 19.000 -0.664 0.000 0.814 338 A HN 0.276 8.102 8.150 -0.540 0.000 0.464 339 H N -2.064 116.739 119.070 -0.445 0.000 2.638 339 H HA 0.293 4.594 4.556 -0.424 0.000 0.303 339 H C -1.449 173.634 175.328 -0.409 0.000 1.034 339 H CA -1.398 54.270 56.048 -0.633 0.000 1.225 339 H CB 0.083 29.003 29.762 -1.403 0.000 1.394 339 H HN -0.090 7.785 8.280 -0.607 0.041 0.477 340 Q N 5.189 124.995 119.800 0.010 0.000 2.325 340 Q HA 0.299 4.825 4.340 0.053 -0.154 0.270 340 Q C -0.878 175.177 176.000 0.091 0.000 1.020 340 Q CA -1.771 54.004 55.803 -0.046 0.000 0.785 340 Q CB 2.677 31.124 28.738 -0.485 0.000 1.259 340 Q HN 0.263 8.568 8.270 0.060 0.000 0.452 341 S N 4.675 120.434 115.700 0.100 0.000 2.552 341 S HA -0.277 4.283 4.470 -0.046 -0.118 0.289 341 S C 0.998 175.522 174.600 -0.126 0.000 1.304 341 S CA 0.639 58.796 58.200 -0.072 0.000 1.063 341 S CB 0.881 63.889 63.200 -0.319 0.000 0.848 341 S HN 0.046 8.414 8.310 0.098 0.000 0.499 342 S N 5.574 121.193 115.700 -0.135 0.000 2.515 342 S HA -0.001 4.360 4.470 -0.182 0.000 0.231 342 S C 0.588 175.128 174.600 -0.100 0.000 0.987 342 S CA 1.124 59.234 58.200 -0.151 0.000 0.936 342 S CB 0.181 63.290 63.200 -0.153 0.000 0.766 342 S HN 0.160 8.381 8.310 -0.148 0.000 0.528 343 I N 3.377 123.931 120.570 -0.027 0.000 2.321 343 I HA 0.424 4.610 4.170 0.026 0.000 0.291 343 I C -1.645 174.690 176.117 0.363 0.000 0.998 343 I CA -4.572 56.774 61.300 0.077 0.000 1.227 343 I CB -0.186 37.770 38.000 -0.073 0.000 1.368 343 I HN -0.843 7.279 8.210 -0.034 0.068 0.466 344 P HA -0.019 4.745 4.420 0.573 0.000 0.269 344 P C -1.471 176.093 177.300 0.441 0.000 1.209 344 P CA -0.149 63.199 63.100 0.414 0.000 0.776 344 P CB 0.599 32.434 31.700 0.225 0.000 0.876 345 A N -0.138 122.915 122.820 0.388 0.000 2.340 345 A HA 0.194 4.663 4.320 0.249 0.000 0.213 345 A C -1.742 175.878 177.584 0.059 0.000 1.299 345 A CA -0.002 52.138 52.037 0.172 0.000 0.994 345 A CB 2.395 21.286 19.000 -0.181 0.000 1.132 345 A HN 0.541 8.950 8.150 0.431 0.000 0.519 346 L N -2.122 119.127 121.223 0.044 0.000 2.381 346 L HA 0.897 5.329 4.340 -0.151 -0.183 0.268 346 L C -1.745 175.144 176.870 0.033 0.000 0.997 346 L CA -0.849 53.949 54.840 -0.070 0.000 0.818 346 L CB 4.466 46.433 42.059 -0.153 0.000 1.310 346 L HN -0.579 7.727 8.230 0.128 0.000 0.416 347 G N 1.642 110.471 108.800 0.048 0.000 2.605 347 G HA2 0.824 4.913 3.960 0.037 0.000 0.296 347 G HA3 0.824 4.816 3.960 0.076 0.015 0.296 347 G C -2.482 172.498 174.900 0.134 0.000 1.304 347 G CA -1.474 43.672 45.100 0.077 0.000 0.941 347 G HN 0.600 8.905 8.290 0.025 0.000 0.475 348 I N -0.272 120.382 120.570 0.140 0.000 2.312 348 I HA 0.291 4.684 4.170 0.107 -0.158 0.290 348 I C -1.672 174.614 176.117 0.281 0.000 1.008 348 I CA -0.372 61.013 61.300 0.142 0.000 1.226 348 I CB 1.464 39.499 38.000 0.058 0.000 1.371 348 I HN 0.596 8.860 8.210 0.091 0.000 0.468 349 D N 8.529 129.083 120.400 0.255 0.000 2.428 349 D HA 0.157 5.082 4.640 0.475 0.000 0.221 349 D C -1.470 174.917 176.300 0.145 0.000 1.123 349 D CA -1.048 53.112 54.000 0.267 0.000 0.869 349 D CB 0.871 41.713 40.800 0.069 0.000 1.032 349 D HN -0.193 8.275 8.370 0.164 0.000 0.506 350 A N 4.725 127.647 122.820 0.170 0.000 2.749 350 A HA 0.314 4.657 4.320 0.038 0.000 0.299 350 A C -0.848 176.786 177.584 0.085 0.000 1.105 350 A CA -1.196 50.883 52.037 0.069 0.000 0.987 350 A CB 0.717 19.709 19.000 -0.012 0.000 1.180 350 A HN 0.470 8.773 8.150 0.254 0.000 0.528 351 W N 2.528 123.808 121.300 -0.033 0.000 2.291 351 W HA 0.192 4.810 4.660 -0.070 0.000 0.312 351 W C -2.404 174.060 176.519 -0.091 0.000 1.061 351 W CA -1.017 56.284 57.345 -0.073 0.000 1.296 351 W CB 1.332 30.732 29.460 -0.101 0.000 1.223 351 W HN 0.271 9.136 8.180 0.257 -0.531 0.421 352 D N 4.742 125.017 120.400 -0.209 0.000 2.479 352 D HA 0.154 4.818 4.640 0.039 0.000 0.218 352 D C 0.059 176.277 176.300 -0.137 0.000 1.177 352 D CA -1.256 52.691 54.000 -0.089 0.000 0.830 352 D CB 0.589 41.336 40.800 -0.087 0.000 1.014 352 D HN -0.272 7.841 8.370 -0.429 0.000 0.503 353 N N -4.736 113.740 118.700 -0.373 0.000 2.948 353 N HA -0.403 4.213 4.740 -0.206 0.000 0.239 353 N C -1.387 173.999 175.510 -0.207 0.000 0.954 353 N CA 1.802 54.749 53.050 -0.171 0.000 0.941 353 N CB -1.174 37.398 38.487 0.142 0.000 1.101 353 N HN -0.148 7.723 8.380 -0.849 0.000 0.579 354 S N -1.812 113.700 115.700 -0.314 0.000 2.730 354 S HA 0.329 4.711 4.470 -0.146 0.000 0.284 354 S C 0.381 174.801 174.600 -0.300 0.000 1.153 354 S CA -0.696 57.369 58.200 -0.226 0.000 0.995 354 S CB 2.653 65.750 63.200 -0.171 0.000 1.058 354 S HN -0.325 7.967 8.310 -0.345 -0.189 0.552 355 D N -0.455 119.831 120.400 -0.190 0.000 2.348 355 D HA -0.042 4.481 4.640 -0.194 0.000 0.216 355 D C 0.885 177.066 176.300 -0.199 0.000 0.970 355 D CA 2.290 56.186 54.000 -0.173 0.000 0.889 355 D CB -0.329 40.414 40.800 -0.095 0.000 0.912 355 D HN 0.335 8.620 8.370 -0.142 0.000 0.524 356 S N -2.147 113.426 115.700 -0.212 0.000 2.575 356 S HA 0.093 4.472 4.470 -0.153 0.000 0.215 356 S C 0.108 174.552 174.600 -0.260 0.000 0.966 356 S CA -0.291 57.796 58.200 -0.188 0.000 0.911 356 S CB 0.131 63.247 63.200 -0.140 0.000 0.780 356 S HN -0.774 7.361 8.310 -0.209 0.050 0.514 357 S N 2.601 118.025 115.700 -0.460 0.000 2.552 357 S HA -0.121 4.226 4.470 -0.485 -0.169 0.289 357 S C -0.808 173.581 174.600 -0.351 0.000 1.304 357 S CA 0.977 58.785 58.200 -0.654 0.000 1.063 357 S CB 0.711 62.878 63.200 -1.723 0.000 0.848 357 S HN -0.464 7.370 8.310 -0.506 0.172 0.499 358 V N 4.424 124.312 119.914 -0.042 0.000 2.733 358 V HA 0.293 4.761 4.120 0.266 -0.188 0.306 358 V C -0.096 176.251 176.094 0.423 0.000 1.084 358 V CA -0.716 61.703 62.300 0.198 0.000 0.905 358 V CB 2.556 34.423 31.823 0.074 0.000 1.010 358 V HN 0.048 8.100 8.190 -0.041 0.114 0.424 359 F N 10.140 130.298 119.950 0.347 0.000 2.403 359 F HA 0.775 4.923 4.527 -0.632 0.000 0.355 359 F C -2.581 173.329 175.800 0.183 0.000 1.119 359 F CA -2.104 56.022 58.000 0.211 0.000 1.007 359 F CB 1.174 40.242 39.000 0.113 0.000 1.194 359 F HN 0.250 nan 8.300 nan 0.000 0.443 360 A N 6.332 129.068 122.820 -0.141 0.000 2.318 360 A HA 0.526 4.984 4.320 -0.058 -0.172 0.317 360 A C -0.257 177.212 177.584 -0.192 0.000 1.159 360 A CA -0.873 51.126 52.037 -0.064 0.000 0.799 360 A CB 1.544 20.709 19.000 0.276 0.000 1.194 360 A HN 0.871 9.029 8.150 0.012 0.000 0.479 361 Q N 6.950 126.645 119.800 -0.174 0.000 2.297 361 Q HA 0.263 4.221 4.340 -0.636 0.000 0.267 361 Q C -1.365 174.714 176.000 0.131 0.000 1.006 361 Q CA -0.542 55.212 55.803 -0.081 0.000 0.896 361 Q CB 0.830 29.518 28.738 -0.082 0.000 1.186 361 Q HN 0.408 nan 8.270 nan 0.000 0.392 362 I N 7.354 128.025 120.570 0.168 0.000 2.347 362 I HA -0.014 4.251 4.170 0.158 0.000 0.294 362 I C -2.002 174.254 176.117 0.231 0.000 1.090 362 I CA -0.017 61.401 61.300 0.195 0.000 1.314 362 I CB -0.348 37.776 38.000 0.207 0.000 1.423 362 I HN -0.039 8.250 8.210 0.133 0.000 0.503 363 A N 7.465 130.323 122.820 0.064 0.000 2.309 363 A HA 0.669 5.171 4.320 0.061 -0.146 0.298 363 A C -2.693 174.799 177.584 -0.154 0.000 1.165 363 A CA -3.420 48.617 52.037 -0.000 0.000 0.821 363 A CB 0.956 19.901 19.000 -0.090 0.000 1.102 363 A HN 0.302 8.410 8.150 -0.070 0.000 0.500 364 P HA 0.227 3.840 4.420 -1.544 -0.120 0.274 364 P C -1.370 175.605 177.300 -0.542 0.000 1.237 364 P CA -0.850 61.671 63.100 -0.965 0.000 0.793 364 P CB 1.109 32.239 31.700 -0.951 0.000 0.977 365 M N -1.059 118.206 119.600 -0.558 0.000 2.465 365 M HA 0.498 4.787 4.480 -0.318 0.000 0.316 365 M C -1.317 174.770 176.300 -0.356 0.000 1.121 365 M CA -2.659 52.405 55.300 -0.394 0.000 0.934 365 M CB 2.170 34.516 32.600 -0.423 0.000 1.692 365 M HN 0.105 8.332 8.290 -0.689 -0.351 0.444 366 P HA 0.183 4.497 4.420 -0.177 0.000 0.255 366 P C -0.508 176.692 177.300 -0.168 0.000 1.248 366 P CA 0.289 63.279 63.100 -0.183 0.000 0.807 366 P CB 0.757 32.381 31.700 -0.126 0.000 1.150 367 A N -1.178 121.491 122.820 -0.252 0.000 1.978 367 A HA -0.253 4.003 4.320 -0.107 0.000 0.220 367 A C 0.719 178.178 177.584 -0.208 0.000 1.170 367 A CA 1.731 53.627 52.037 -0.235 0.000 0.636 367 A CB -0.297 18.394 19.000 -0.514 0.000 0.810 367 A HN 0.021 7.917 8.150 -0.331 0.056 0.448 368 G N -5.202 103.450 108.800 -0.247 0.000 2.162 368 G HA2 -0.371 3.732 3.960 -0.213 0.000 0.260 368 G HA3 -0.371 3.513 3.960 -0.127 0.000 0.260 368 G C -1.236 173.504 174.900 -0.268 0.000 0.976 368 G CA 0.648 45.624 45.100 -0.207 0.000 0.655 368 G HN 0.511 8.614 8.290 -0.292 0.013 0.533 369 L N -6.878 114.156 121.223 -0.315 0.000 2.327 369 L HA 0.488 4.631 4.340 -0.328 0.000 0.258 369 L C -1.663 174.944 176.870 -0.439 0.000 1.024 369 L CA -3.304 51.344 54.840 -0.320 0.000 0.825 369 L CB 2.616 44.557 42.059 -0.197 0.000 1.386 369 L HN -0.832 7.116 8.230 -0.356 0.068 0.417 370 E N 0.077 119.988 120.200 -0.482 0.000 2.324 370 E HA -0.040 3.889 4.350 -0.702 0.000 0.271 370 E C -0.064 176.124 176.600 -0.685 0.000 1.028 370 E CA 0.745 56.717 56.400 -0.714 0.000 0.890 370 E CB 0.481 29.620 29.700 -0.935 0.000 1.004 370 E HN 0.225 8.334 8.360 -0.418 0.000 0.431 371 T N 1.300 115.468 114.554 -0.643 0.000 2.975 371 T HA 0.148 4.500 4.350 0.004 0.000 0.261 371 T C 0.409 175.159 174.700 0.084 0.000 0.984 371 T CA -0.610 61.329 62.100 -0.268 0.000 0.911 371 T CB 1.219 69.703 68.868 -0.640 0.000 1.127 371 T HN 0.168 7.996 8.240 -0.686 0.000 0.514 372 W N -3.702 117.490 121.300 -0.180 0.000 2.589 372 W HA -0.388 4.262 4.660 -0.151 -0.080 0.272 372 W C -1.780 174.649 176.519 -0.151 0.000 1.060 372 W CA 1.097 58.354 57.345 -0.148 0.000 0.533 372 W CB -2.428 26.961 29.460 -0.119 0.000 2.084 372 W HN -0.169 7.885 8.180 -0.656 -0.268 1.371 373 V N -0.485 119.398 119.914 -0.051 0.000 2.465 373 V HA 0.302 4.571 4.120 -0.011 -0.155 0.279 373 V C -0.373 175.636 176.094 -0.142 0.000 1.045 373 V CA -0.621 61.633 62.300 -0.077 0.000 0.938 373 V CB 0.251 32.004 31.823 -0.116 0.000 0.986 373 V HN -0.712 7.319 8.190 -0.157 0.065 0.467 374 S N 7.115 122.740 115.700 -0.125 0.000 2.442 374 S HA 0.325 4.647 4.470 -0.246 0.000 0.297 374 S C -1.802 172.530 174.600 -0.447 0.000 1.131 374 S CA -0.254 57.793 58.200 -0.254 0.000 1.092 374 S CB 1.386 64.488 63.200 -0.163 0.000 0.998 374 S HN 0.090 8.358 8.310 -0.070 0.000 0.478 375 L N 5.997 126.877 121.223 -0.572 0.000 2.334 375 L HA 0.684 4.958 4.340 -0.327 -0.129 0.276 375 L C -2.091 174.356 176.870 -0.706 0.000 1.014 375 L CA -1.121 53.441 54.840 -0.463 0.000 0.815 375 L CB 4.113 46.026 42.059 -0.244 0.000 1.268 375 L HN 0.316 8.249 8.230 -0.496 0.000 0.428 376 Y N 1.421 121.677 120.300 -0.072 0.000 2.492 376 Y HA 0.688 5.632 4.550 0.013 -0.386 0.346 376 Y C -1.623 174.271 175.900 -0.010 0.000 0.997 376 Y CA -2.036 56.035 58.100 -0.050 0.000 1.025 376 Y CB 3.855 42.200 38.460 -0.191 0.000 1.263 376 Y HN 0.630 8.871 8.280 -0.064 0.000 0.454 377 L N 3.838 125.161 121.223 0.167 0.000 2.277 377 L HA 0.561 5.111 4.340 0.157 -0.116 0.284 377 L C -1.725 175.235 176.870 0.150 0.000 1.028 377 L CA -1.681 53.239 54.840 0.134 0.000 0.835 377 L CB 1.789 43.881 42.059 0.055 0.000 1.215 377 L HN -0.148 8.173 8.230 0.151 0.000 0.425 378 A N 7.514 130.461 122.820 0.211 0.000 2.309 378 A HA 0.470 5.042 4.320 0.214 -0.124 0.298 378 A C -1.555 176.146 177.584 0.196 0.000 1.165 378 A CA -1.809 50.370 52.037 0.237 0.000 0.821 378 A CB 1.867 21.073 19.000 0.343 0.000 1.102 378 A HN 0.948 9.229 8.150 0.218 0.000 0.500 379 I N 4.245 124.935 120.570 0.200 0.000 2.339 379 I HA 0.226 4.524 4.170 0.214 0.000 0.290 379 I C -0.923 175.437 176.117 0.404 0.000 0.994 379 I CA -0.639 60.811 61.300 0.249 0.000 1.191 379 I CB 1.626 39.748 38.000 0.203 0.000 1.343 379 I HN 0.410 8.729 8.210 0.181 0.000 0.458 380 T N 2.911 117.682 114.554 0.361 0.000 2.888 380 T HA 0.454 5.122 4.350 0.263 -0.161 0.288 380 T C -0.900 173.973 174.700 0.288 0.000 1.063 380 T CA -2.611 59.656 62.100 0.279 0.000 1.010 380 T CB 2.732 71.682 68.868 0.137 0.000 1.214 380 T HN 0.076 8.490 8.240 0.290 0.000 0.533 381 K N 1.613 122.027 120.400 0.022 0.000 2.414 381 K HA 0.179 4.641 4.320 0.235 0.000 0.251 381 K C -1.623 175.002 176.600 0.041 0.000 1.037 381 K CA -0.976 55.335 56.287 0.040 0.000 0.980 381 K CB 0.341 32.676 32.500 -0.275 0.000 1.280 381 K HN 0.223 8.407 8.250 -0.110 0.000 0.451 382 N N 6.481 125.247 118.700 0.110 0.000 2.448 382 N HA 0.392 5.169 4.740 0.062 0.000 0.279 382 N C -1.179 174.402 175.510 0.119 0.000 1.025 382 N CA -3.127 49.982 53.050 0.099 0.000 0.898 382 N CB 1.787 40.354 38.487 0.133 0.000 1.303 382 N HN 0.190 8.662 8.380 0.152 0.000 0.495 383 P HA 0.083 4.562 4.420 0.098 0.000 0.233 383 P C -0.117 177.243 177.300 0.099 0.000 1.167 383 P CA 0.324 63.476 63.100 0.087 0.000 0.770 383 P CB 0.299 32.031 31.700 0.053 0.000 0.837 384 Q N 1.117 120.984 119.800 0.112 0.000 2.349 384 Q HA -0.116 4.256 4.340 0.053 0.000 0.287 384 Q C -0.519 175.651 176.000 0.284 0.000 1.044 384 Q CA 1.100 56.970 55.803 0.111 0.000 0.918 384 Q CB 0.627 29.357 28.738 -0.014 0.000 1.242 384 Q HN -0.442 8.128 8.270 0.108 -0.236 0.405 385 R N 0.808 121.460 120.500 0.254 0.000 2.795 385 R HA 0.609 5.392 4.340 0.497 -0.146 0.275 385 R C -0.198 176.349 176.300 0.411 0.000 0.981 385 R CA -2.061 54.262 56.100 0.371 0.000 0.917 385 R CB 3.064 33.487 30.300 0.205 0.000 1.202 385 R HN 0.001 8.357 8.270 0.143 0.000 0.469 386 G N -0.576 108.573 108.800 0.582 0.000 2.552 386 G HA2 0.515 4.768 3.960 0.273 0.000 0.324 386 G HA3 0.515 4.812 3.960 0.500 -0.037 0.324 386 G C -1.944 173.054 174.900 0.163 0.000 1.217 386 G CA -1.084 44.251 45.100 0.391 0.000 0.989 386 G HN 0.587 9.272 8.290 0.659 0.000 0.490 387 T N 1.760 116.302 114.554 -0.019 0.000 2.881 387 T HA 0.685 5.239 4.350 0.058 -0.169 0.290 387 T C -1.375 173.203 174.700 -0.203 0.000 1.000 387 T CA -0.832 61.250 62.100 -0.029 0.000 0.978 387 T CB 3.113 72.002 68.868 0.036 0.000 0.997 387 T HN 0.119 8.653 8.240 -0.049 -0.324 0.443 388 F N 6.066 125.985 119.950 -0.051 0.000 2.420 388 F HA 0.321 4.957 4.527 -0.162 -0.206 0.352 388 F C -0.477 175.316 175.800 -0.012 0.000 1.108 388 F CA 0.236 58.179 58.000 -0.095 0.000 1.162 388 F CB 0.845 39.785 39.000 -0.101 0.000 1.118 388 F HN 0.529 8.970 8.300 0.234 0.000 0.510 389 V N 2.700 122.710 119.914 0.160 0.000 2.448 389 V HA 0.185 4.393 4.120 0.146 0.000 0.295 389 V C -1.500 174.696 176.094 0.170 0.000 1.025 389 V CA -1.763 60.617 62.300 0.132 0.000 0.859 389 V CB 2.409 34.267 31.823 0.059 0.000 0.988 389 V HN 0.589 8.848 8.190 0.115 0.000 0.431 390 Y N 9.368 129.703 120.300 0.058 0.000 2.442 390 Y HA -0.172 4.411 4.550 0.056 0.000 0.330 390 Y C -1.220 174.704 175.900 0.039 0.000 1.129 390 Y CA 0.371 58.500 58.100 0.048 0.000 1.365 390 Y CB 0.817 39.297 38.460 0.034 0.000 1.233 390 Y HN 0.629 9.080 8.280 0.286 0.000 0.529 391 D N 7.866 127.945 120.400 -0.535 0.000 2.443 391 D HA 0.116 4.571 4.640 -0.308 0.000 0.221 391 D C -0.721 175.074 176.300 -0.842 0.000 1.097 391 D CA -2.029 51.679 54.000 -0.486 0.000 0.865 391 D CB 0.924 41.574 40.800 -0.250 0.000 1.034 391 D HN 0.078 8.151 8.370 -0.495 0.000 0.511 392 A N 6.717 129.168 122.820 -0.615 0.000 2.019 392 A HA -0.253 3.751 4.320 -0.526 0.000 0.219 392 A C 0.801 178.277 177.584 -0.181 0.000 1.164 392 A CA 2.435 54.260 52.037 -0.353 0.000 0.644 392 A CB -0.345 18.665 19.000 0.016 0.000 0.805 392 A HN 0.579 8.503 8.150 -0.377 0.000 0.449 393 A N -0.001 122.726 122.820 -0.156 0.000 1.877 393 A HA -0.225 4.062 4.320 -0.055 0.000 0.216 393 A C 1.342 178.875 177.584 -0.084 0.000 1.186 393 A CA 2.568 54.553 52.037 -0.086 0.000 0.620 393 A CB -0.103 18.857 19.000 -0.067 0.000 0.822 393 A HN -0.149 8.073 8.150 -0.175 -0.177 0.443 394 T N -5.282 109.202 114.554 -0.118 0.000 3.060 394 T HA -0.081 4.237 4.350 -0.054 0.000 0.249 394 T C 0.407 175.061 174.700 -0.077 0.000 1.079 394 T CA -0.182 61.869 62.100 -0.082 0.000 1.013 394 T CB 1.152 69.981 68.868 -0.065 0.000 0.975 394 T HN -0.674 7.666 8.240 -0.157 -0.195 0.518 395 D N 1.107 121.420 120.400 -0.144 0.000 2.746 395 D HA -0.429 4.202 4.640 -0.083 -0.041 0.236 395 D C -0.837 175.481 176.300 0.030 0.000 1.129 395 D CA 1.173 55.154 54.000 -0.031 0.000 0.691 395 D CB -0.457 40.400 40.800 0.095 0.000 1.077 395 D HN -0.246 7.827 8.370 -0.227 0.161 0.432 396 R N -1.714 118.725 120.500 -0.103 0.000 2.744 396 R HA 0.388 4.347 4.340 -0.636 0.000 0.279 396 R C -1.903 174.432 176.300 0.059 0.000 0.977 396 R CA -1.768 54.355 56.100 0.037 0.000 0.906 396 R CB 1.744 32.061 30.300 0.027 0.000 1.197 396 R HN -0.436 nan 8.270 nan 0.000 0.463 397 A N 2.728 125.664 122.820 0.193 0.000 2.354 397 A HA 0.169 4.771 4.320 0.242 -0.137 0.281 397 A C -0.808 176.941 177.584 0.274 0.000 1.174 397 A CA -0.436 51.745 52.037 0.239 0.000 0.828 397 A CB 0.193 19.310 19.000 0.194 0.000 1.099 397 A HN 0.292 8.868 8.150 0.192 -0.311 0.516 398 K N 4.380 124.892 120.400 0.187 0.000 2.156 398 K HA 0.241 4.711 4.320 0.250 0.000 0.271 398 K C -1.429 175.126 176.600 -0.076 0.000 0.995 398 K CA -1.263 55.101 56.287 0.129 0.000 0.890 398 K CB 2.522 35.058 32.500 0.059 0.000 1.073 398 K HN 0.278 8.616 8.250 0.147 0.000 0.454 399 L N 4.077 125.043 121.223 -0.429 0.000 2.255 399 L HA 0.116 3.966 4.340 -1.026 -0.125 0.289 399 L C -1.097 175.516 176.870 -0.428 0.000 1.046 399 L CA -0.776 53.522 54.840 -0.904 0.000 0.816 399 L CB 0.902 41.913 42.059 -1.748 0.000 1.197 399 L HN 0.338 8.362 8.230 -0.344 0.000 0.427 400 N N 6.471 124.985 118.700 -0.310 0.000 2.663 400 N HA 0.095 4.778 4.740 -0.095 0.000 0.250 400 N C -1.810 173.683 175.510 -0.028 0.000 1.129 400 N CA -0.061 52.914 53.050 -0.125 0.000 0.995 400 N CB -0.262 38.176 38.487 -0.081 0.000 1.324 400 N HN 0.132 8.291 8.380 -0.369 0.000 0.512 401 W N 5.344 126.515 121.300 -0.215 0.000 2.998 401 W HA 0.616 5.453 4.660 -0.070 -0.219 0.335 401 W C -1.987 174.484 176.519 -0.080 0.000 1.110 401 W CA -1.535 55.739 57.345 -0.119 0.000 1.230 401 W CB 4.482 33.865 29.460 -0.129 0.000 1.405 401 W HN -0.183 7.925 8.180 0.042 0.096 0.493 402 T N 0.533 114.758 114.554 -0.547 0.000 2.912 402 T HA 0.460 4.809 4.350 -0.142 -0.084 0.288 402 T C 0.543 174.981 174.700 -0.436 0.000 1.030 402 T CA -2.098 59.798 62.100 -0.341 0.000 1.020 402 T CB 3.487 72.202 68.868 -0.256 0.000 1.056 402 T HN -0.009 8.025 8.240 -0.830 -0.292 0.480 403 R N 2.512 122.938 120.500 -0.123 0.000 2.127 403 R HA -0.359 4.056 4.340 0.125 0.000 0.238 403 R C 1.858 178.109 176.300 -0.083 0.000 1.134 403 R CA 3.915 60.010 56.100 -0.009 0.000 0.975 403 R CB -0.095 30.224 30.300 0.030 0.000 0.865 403 R HN 0.462 9.067 8.270 -0.072 -0.378 0.447 404 D N -1.578 118.734 120.400 -0.147 0.000 2.182 404 D HA -0.228 4.357 4.640 -0.092 0.000 0.201 404 D C 2.240 178.416 176.300 -0.207 0.000 0.986 404 D CA 3.029 56.943 54.000 -0.144 0.000 0.847 404 D CB -0.959 39.759 40.800 -0.138 0.000 0.942 404 D HN 0.382 8.643 8.370 -0.152 0.018 0.467 405 Q N -2.947 116.606 119.800 -0.412 0.000 2.364 405 Q HA -0.209 3.895 4.340 -0.392 0.000 0.207 405 Q C 1.001 176.856 176.000 -0.242 0.000 0.970 405 Q CA 2.320 57.786 55.803 -0.561 0.000 0.888 405 Q CB -0.121 27.821 28.738 -1.327 0.000 0.951 405 Q HN -0.444 7.383 8.270 -0.503 0.141 0.469 406 N N -2.202 116.500 118.700 0.004 0.000 2.398 406 N HA -0.050 4.865 4.740 0.293 0.000 0.188 406 N C 0.350 175.904 175.510 0.073 0.000 1.122 406 N CA 0.288 53.461 53.050 0.206 0.000 0.866 406 N CB 0.354 39.037 38.487 0.326 0.000 0.970 406 N HN -0.521 7.681 8.380 -0.046 0.151 0.462 407 A N 1.253 124.071 122.820 -0.002 0.000 1.908 407 A HA -0.059 4.244 4.320 -0.029 0.000 0.218 407 A C -1.450 176.116 177.584 -0.029 0.000 1.181 407 A CA 4.755 56.775 52.037 -0.028 0.000 0.627 407 A CB -2.358 16.614 19.000 -0.047 0.000 0.818 407 A HN -0.219 7.736 8.150 -0.035 0.173 0.445 408 P HA -0.170 4.231 4.420 -0.033 0.000 0.217 408 P C 1.079 178.375 177.300 -0.007 0.000 1.150 408 P CA 2.835 65.926 63.100 -0.015 0.000 0.832 408 P CB -0.598 31.101 31.700 -0.002 0.000 0.787 409 A N -2.162 120.680 122.820 0.037 0.000 1.877 409 A HA -0.227 4.125 4.320 0.052 0.000 0.216 409 A C 2.128 179.715 177.584 0.004 0.000 1.186 409 A CA 2.987 55.057 52.037 0.055 0.000 0.620 409 A CB -0.792 18.280 19.000 0.121 0.000 0.822 409 A HN -0.765 7.421 8.150 0.061 0.000 0.443 410 V N -1.048 118.842 119.914 -0.040 0.000 2.332 410 V HA -0.676 3.321 4.120 -0.205 0.000 0.248 410 V C 1.804 177.716 176.094 -0.302 0.000 1.055 410 V CA 4.877 67.055 62.300 -0.202 0.000 1.038 410 V CB -0.267 31.436 31.823 -0.201 0.000 0.651 410 V HN -0.116 8.070 8.190 -0.007 0.000 0.450 411 N N -0.635 117.959 118.700 -0.178 0.000 2.166 411 N HA -0.300 4.320 4.740 -0.201 0.000 0.186 411 N C 2.082 177.521 175.510 -0.120 0.000 1.019 411 N CA 3.070 56.026 53.050 -0.157 0.000 0.856 411 N CB -0.784 37.645 38.487 -0.095 0.000 0.993 411 N HN -0.147 8.147 8.380 -0.124 0.011 0.426 412 A N -0.236 122.535 122.820 -0.081 0.000 1.873 412 A HA -0.168 4.113 4.320 -0.066 0.000 0.215 412 A C 1.772 179.348 177.584 -0.012 0.000 1.186 412 A CA 3.015 55.018 52.037 -0.056 0.000 0.616 412 A CB -0.763 18.203 19.000 -0.057 0.000 0.823 412 A HN -0.379 7.727 8.150 -0.073 0.000 0.442 413 A N -1.334 121.505 122.820 0.033 0.000 1.902 413 A HA -0.435 4.037 4.320 0.254 0.000 0.217 413 A C 1.448 179.209 177.584 0.295 0.000 1.181 413 A CA 3.283 55.452 52.037 0.220 0.000 0.623 413 A CB -0.766 18.427 19.000 0.321 0.000 0.818 413 A HN -0.229 7.922 8.150 0.002 0.000 0.443 414 K N -0.600 119.764 120.400 -0.061 0.000 2.097 414 K HA -0.248 4.307 4.320 0.393 0.000 0.205 414 K C 2.006 178.702 176.600 0.161 0.000 1.050 414 K CA 2.989 59.282 56.287 0.011 0.000 0.938 414 K CB 0.092 32.323 32.500 -0.447 0.000 0.718 414 K HN 0.011 8.103 8.250 -0.264 0.000 0.442 415 A N -0.474 122.369 122.820 0.037 0.000 1.933 415 A HA -0.244 4.104 4.320 0.048 0.000 0.218 415 A C 1.949 179.537 177.584 0.007 0.000 1.175 415 A CA 3.009 55.062 52.037 0.026 0.000 0.628 415 A CB -0.723 18.264 19.000 -0.023 0.000 0.814 415 A HN -0.340 7.800 8.150 -0.016 0.000 0.444 416 L N -1.748 119.447 121.223 -0.045 0.000 2.005 416 L HA -0.282 3.947 4.340 -0.186 0.000 0.207 416 L C 2.011 178.712 176.870 -0.281 0.000 1.072 416 L CA 3.323 58.031 54.840 -0.220 0.000 0.744 416 L CB -0.501 41.337 42.059 -0.369 0.000 0.895 416 L HN -0.709 7.509 8.230 -0.020 0.000 0.433 417 F N -2.499 117.513 119.950 0.103 0.000 2.407 417 F HA -0.335 4.174 4.527 -0.031 0.000 0.299 417 F C 2.142 177.995 175.800 0.089 0.000 1.097 417 F CA 3.784 61.841 58.000 0.095 0.000 1.422 417 F CB -0.668 38.489 39.000 0.262 0.000 1.067 417 F HN -0.230 8.148 8.300 0.129 0.000 0.539 418 D N -0.495 120.076 120.400 0.285 0.000 2.144 418 D HA -0.334 4.391 4.640 0.141 0.000 0.199 418 D C 2.174 178.506 176.300 0.054 0.000 0.984 418 D CA 3.982 58.083 54.000 0.168 0.000 0.834 418 D CB -0.547 40.366 40.800 0.188 0.000 0.955 418 D HN 0.185 8.733 8.370 0.326 0.018 0.465 419 R N -0.033 120.476 120.500 0.016 0.000 2.081 419 R HA -0.245 4.094 4.340 -0.002 0.000 0.235 419 R C 2.197 178.483 176.300 -0.024 0.000 1.131 419 R CA 3.047 59.137 56.100 -0.017 0.000 0.960 419 R CB -0.342 29.927 30.300 -0.051 0.000 0.856 419 R HN -0.807 7.470 8.270 0.013 0.000 0.436 420 I N -1.249 119.295 120.570 -0.044 0.000 2.252 420 I HA -0.472 3.684 4.170 -0.023 0.000 0.245 420 I C 1.680 177.789 176.117 -0.014 0.000 1.102 420 I CA 3.842 65.126 61.300 -0.027 0.000 1.385 420 I CB -0.241 37.741 38.000 -0.030 0.000 1.064 420 I HN -0.653 7.519 8.210 -0.064 0.000 0.414 421 N N -0.051 118.623 118.700 -0.043 0.000 2.120 421 N HA -0.269 4.416 4.740 -0.092 0.000 0.188 421 N C 2.056 177.553 175.510 -0.021 0.000 1.024 421 N CA 2.578 55.578 53.050 -0.083 0.000 0.852 421 N CB -0.315 38.055 38.487 -0.195 0.000 1.003 421 N HN -0.187 8.170 8.380 -0.039 0.000 0.424 422 K N 0.295 120.696 120.400 0.000 0.000 2.057 422 K HA -0.340 3.997 4.320 0.028 0.000 0.207 422 K C 2.412 179.033 176.600 0.035 0.000 1.049 422 K CA 3.055 59.355 56.287 0.023 0.000 0.931 422 K CB -0.031 32.483 32.500 0.024 0.000 0.714 422 K HN -0.161 8.087 8.250 -0.002 0.000 0.440 423 A N -2.715 120.123 122.820 0.031 0.000 2.015 423 A HA -0.129 4.217 4.320 0.043 0.000 0.219 423 A C 1.016 178.648 177.584 0.079 0.000 1.163 423 A CA 2.350 54.414 52.037 0.044 0.000 0.646 423 A CB -0.032 18.987 19.000 0.032 0.000 0.806 423 A HN -0.404 7.758 8.150 0.019 0.000 0.448 424 N N -4.820 113.934 118.700 0.088 0.000 2.197 424 N HA 0.036 4.904 4.740 0.214 0.000 0.201 424 N C 0.035 175.683 175.510 0.231 0.000 1.148 424 N CA 0.173 53.324 53.050 0.169 0.000 0.883 424 N CB 2.086 40.636 38.487 0.106 0.000 1.012 424 N HN -0.687 7.583 8.380 0.058 0.145 0.507 425 G N 0.778 109.662 108.800 0.139 0.000 2.249 425 G HA2 -0.420 3.601 3.960 0.102 0.000 0.273 425 G HA3 -0.420 3.665 3.960 0.208 0.000 0.273 425 G C -0.828 174.139 174.900 0.111 0.000 1.036 425 G CA 1.120 46.310 45.100 0.151 0.000 0.824 425 G HN -0.143 8.205 8.290 0.097 0.000 0.504 426 T N -2.168 112.366 114.554 -0.034 0.000 2.948 426 T HA 0.224 4.483 4.350 -0.152 0.000 0.285 426 T C -1.385 173.242 174.700 -0.122 0.000 1.019 426 T CA -1.655 60.352 62.100 -0.155 0.000 1.013 426 T CB 2.742 71.437 68.868 -0.289 0.000 1.117 426 T HN -0.751 7.443 8.240 -0.031 0.027 0.533 427 I N -6.107 114.392 120.570 -0.118 0.000 2.957 427 I HA 0.501 4.582 4.170 -0.148 0.000 0.310 427 I C -1.710 174.316 176.117 -0.152 0.000 1.063 427 I CA -2.580 58.667 61.300 -0.088 0.000 1.033 427 I CB 3.166 41.217 38.000 0.085 0.000 1.230 427 I HN 0.050 8.189 8.210 -0.118 0.000 0.447 428 Y N -0.478 119.804 120.300 -0.030 0.000 2.426 428 Y HA -0.077 4.485 4.550 -0.201 -0.132 0.344 428 Y C 0.892 176.648 175.900 -0.238 0.000 1.256 428 Y CA 1.489 59.435 58.100 -0.256 0.000 1.451 428 Y CB 0.591 38.673 38.460 -0.631 0.000 1.342 428 Y HN 0.089 8.307 8.280 -0.103 0.000 0.600 429 R N -0.505 119.958 120.500 -0.062 0.000 2.539 429 R HA 0.068 4.444 4.340 0.060 0.000 0.275 429 R C -0.281 175.861 176.300 -0.263 0.000 1.077 429 R CA -0.741 55.325 56.100 -0.057 0.000 1.097 429 R CB 0.637 30.922 30.300 -0.026 0.000 1.018 429 R HN -0.094 8.159 8.270 -0.028 0.000 0.483 430 Y N -1.472 118.857 120.300 0.049 0.000 2.527 430 Y HA 0.080 4.670 4.550 0.065 0.000 0.247 430 Y C -0.702 175.214 175.900 0.027 0.000 1.138 430 Y CA 1.007 59.139 58.100 0.054 0.000 1.228 430 Y CB 1.448 39.949 38.460 0.068 0.000 1.252 430 Y HN 0.411 8.826 8.280 0.225 0.000 0.531 431 D N -1.677 118.770 120.400 0.079 0.000 2.469 431 D HA 0.187 4.855 4.640 0.047 0.000 0.215 431 D C 0.424 176.652 176.300 -0.120 0.000 1.154 431 D CA -0.438 53.567 54.000 0.008 0.000 0.832 431 D CB -0.962 39.839 40.800 0.003 0.000 1.008 431 D HN -0.075 8.322 8.370 0.045 0.000 0.506 432 L N -2.202 118.847 121.223 -0.291 0.000 2.446 432 L HA 0.033 4.169 4.340 -0.340 0.000 0.219 432 L C -0.563 175.946 176.870 -0.603 0.000 1.116 432 L CA 1.644 56.161 54.840 -0.538 0.000 0.844 432 L CB 0.171 41.701 42.059 -0.882 0.000 0.970 432 L HN -0.348 7.712 8.230 -0.283 0.000 0.457 433 F N -4.618 115.335 119.950 0.005 0.000 2.881 433 F HA 0.004 4.520 4.527 -0.019 0.000 0.343 433 F C -0.436 175.354 175.800 -0.018 0.000 1.233 433 F CA -0.871 57.128 58.000 -0.001 0.000 1.262 433 F CB -0.184 38.837 39.000 0.035 0.000 0.980 433 F HN -0.233 7.909 8.300 -0.160 0.062 0.506 434 G N -0.259 108.555 108.800 0.024 0.000 2.479 434 G HA2 -0.260 3.611 3.960 -0.148 0.000 0.686 434 G HA3 -0.260 3.705 3.960 0.008 0.000 0.686 434 G C 0.607 175.510 174.900 0.004 0.000 1.295 434 G CA -0.977 44.103 45.100 -0.034 0.000 0.922 434 G HN -0.621 7.668 8.290 -0.002 0.000 0.582 435 T N -0.017 114.531 114.554 -0.009 0.000 2.746 435 T HA -0.044 3.924 4.350 -0.636 0.000 0.267 435 T C 1.523 176.246 174.700 0.037 0.000 1.039 435 T CA 1.095 63.203 62.100 0.012 0.000 1.142 435 T CB -0.352 68.520 68.868 0.007 0.000 0.866 435 T HN 0.107 nan 8.240 nan 0.000 0.444 436 Q N 1.406 121.237 119.800 0.050 0.000 2.352 436 Q HA 0.050 4.008 4.340 -0.636 0.000 0.260 436 Q C -0.116 175.945 176.000 0.103 0.000 0.976 436 Q CA -0.281 55.561 55.803 0.065 0.000 0.881 436 Q CB 0.038 28.815 28.738 0.066 0.000 1.235 436 Q HN 0.132 nan 8.270 nan 0.000 0.419 437 L N 2.822 124.106 121.223 0.102 0.000 2.700 437 L HA -0.031 3.927 4.340 -0.636 0.000 0.272 437 L C -0.238 176.779 176.870 0.245 0.000 1.176 437 L CA 0.161 55.101 54.840 0.166 0.000 0.961 437 L CB -1.242 40.849 42.059 0.053 0.000 1.249 437 L HN 0.108 nan 8.230 nan 0.000 0.487 438 K N 5.247 125.836 120.400 0.315 0.000 2.695 438 K HA 0.168 4.657 4.320 0.282 0.000 0.255 438 K C -1.024 175.726 176.600 0.249 0.000 1.016 438 K CA 0.204 56.662 56.287 0.285 0.000 0.928 438 K CB 2.562 35.205 32.500 0.239 0.000 1.235 438 K HN 0.060 8.506 8.250 0.327 0.000 0.467 439 A N 3.025 125.890 122.820 0.076 0.000 2.123 439 A HA 0.079 4.352 4.320 -0.324 -0.148 0.214 439 A C -1.541 175.721 177.584 -0.537 0.000 1.152 439 A CA 0.965 52.767 52.037 -0.393 0.000 0.728 439 A CB 0.797 19.211 19.000 -0.977 0.000 0.814 439 A HN 0.356 8.619 8.150 0.188 0.000 0.464 440 F N -3.443 116.458 119.950 -0.082 0.000 2.460 440 F HA 0.571 5.367 4.527 -0.167 -0.369 0.341 440 F C -0.935 174.711 175.800 -0.257 0.000 1.130 440 F CA -2.179 55.725 58.000 -0.159 0.000 0.962 440 F CB 2.789 41.718 39.000 -0.119 0.000 1.171 440 F HN -0.643 7.708 8.300 0.153 0.040 0.436 441 A N 4.179 126.707 122.820 -0.487 0.000 2.404 441 A HA 0.064 4.170 4.320 -0.356 0.000 0.273 441 A C -1.154 176.400 177.584 -0.049 0.000 1.144 441 A CA -0.187 51.559 52.037 -0.485 0.000 0.806 441 A CB 0.691 19.084 19.000 -1.011 0.000 1.080 441 A HN 0.601 8.365 8.150 -0.643 0.000 0.509 442 D N 0.102 120.543 120.400 0.067 0.000 2.563 442 D HA 0.091 4.814 4.640 0.139 0.000 0.237 442 D C -1.242 175.145 176.300 0.144 0.000 1.282 442 D CA -1.165 52.910 54.000 0.126 0.000 0.816 442 D CB 1.444 42.316 40.800 0.119 0.000 1.066 442 D HN 0.233 8.642 8.370 0.065 0.000 0.501 443 D N -2.988 117.467 120.400 0.092 0.000 2.692 443 D HA 0.037 4.698 4.640 0.035 0.000 0.290 443 D C -0.539 175.520 176.300 -0.402 0.000 1.455 443 D CA -1.169 52.785 54.000 -0.076 0.000 0.796 443 D CB -1.235 39.490 40.800 -0.125 0.000 1.131 443 D HN -0.364 8.099 8.370 0.155 0.000 0.467 444 F N 0.225 120.163 119.950 -0.020 0.000 2.577 444 F HA 0.441 4.590 4.527 -0.629 0.000 0.318 444 F C -0.739 175.022 175.800 -0.065 0.000 1.065 444 F CA -0.983 56.966 58.000 -0.086 0.000 0.929 444 F CB 1.681 40.637 39.000 -0.074 0.000 1.237 444 F HN -0.746 nan 8.300 nan 0.000 0.468 445 C N 4.309 123.648 119.300 0.065 0.000 3.006 445 C HA 0.402 4.481 4.460 -0.636 0.000 0.359 445 C C 0.172 175.206 174.990 0.074 0.000 1.103 445 C CA -1.361 57.709 59.018 0.086 0.000 1.286 445 C CB -0.101 27.699 27.740 0.101 0.000 1.694 445 C HN 0.178 nan 8.230 nan 0.000 0.511 446 Y N 1.557 122.032 120.300 0.292 0.000 2.497 446 Y HA -0.012 4.155 4.550 -0.638 0.000 0.265 446 Y C -0.090 175.931 175.900 0.203 0.000 1.111 446 Y CA -0.550 57.718 58.100 0.280 0.000 1.288 446 Y CB 0.860 39.436 38.460 0.194 0.000 1.082 446 Y HN 0.355 nan 8.280 nan 0.000 0.536 447 Q N -0.691 119.282 119.800 0.289 0.000 2.831 447 Q HA 0.381 4.841 4.340 0.200 0.000 0.366 447 Q C -3.031 173.026 176.000 0.095 0.000 0.899 447 Q CA -2.906 53.007 55.803 0.183 0.000 0.987 447 Q CB 0.856 29.679 28.738 0.140 0.000 1.382 447 Q HN -0.500 7.992 8.270 0.263 -0.064 0.403 448 P HA -0.044 4.363 4.420 -0.022 0.000 0.271 448 P C -2.118 175.204 177.300 0.036 0.000 1.216 448 P CA -0.344 62.861 63.100 0.174 0.000 0.771 448 P CB 0.757 32.788 31.700 0.551 0.000 0.864 449 L N 1.268 122.324 121.223 -0.278 0.000 2.436 449 L HA 0.362 4.839 4.340 -0.009 -0.143 0.268 449 L C -0.657 176.108 176.870 -0.175 0.000 0.974 449 L CA -0.897 53.852 54.840 -0.152 0.000 0.826 449 L CB 3.591 45.559 42.059 -0.152 0.000 1.291 449 L HN 0.002 7.812 8.230 -0.700 0.000 0.406 450 G N 1.235 110.071 108.800 0.060 0.000 2.549 450 G HA2 -0.324 3.909 3.960 0.106 0.000 0.404 450 G HA3 -0.324 3.884 3.960 0.107 -0.184 0.404 450 G C -0.238 174.878 174.900 0.359 0.000 1.292 450 G CA -0.300 44.890 45.100 0.149 0.000 0.935 450 G HN 0.383 8.722 8.290 0.082 0.000 0.512 451 G N -3.657 105.347 108.800 0.340 0.000 2.284 451 G HA2 -0.375 3.916 3.960 0.417 0.000 0.216 451 G HA3 -0.375 3.782 3.960 0.329 0.000 0.216 451 G C -1.383 173.611 174.900 0.157 0.000 1.009 451 G CA 0.768 46.065 45.100 0.328 0.000 0.625 451 G HN -0.186 8.270 8.290 0.277 0.000 0.501 452 C N 1.098 120.462 119.300 0.107 0.000 3.370 452 C HA 0.342 4.837 4.460 0.058 0.000 0.190 452 C C -1.104 173.916 174.990 0.050 0.000 1.647 452 C CA -0.741 58.313 59.018 0.060 0.000 1.277 452 C CB -0.477 27.281 27.740 0.029 0.000 2.037 452 C HN -0.288 7.943 8.230 0.118 0.070 0.537 453 V N 2.251 122.197 119.914 0.054 0.000 2.655 453 V HA -0.149 4.141 4.120 0.026 -0.154 0.300 453 V C -0.048 176.051 176.094 0.008 0.000 1.044 453 V CA 0.211 62.529 62.300 0.029 0.000 1.095 453 V CB 0.329 32.169 31.823 0.028 0.000 0.952 453 V HN 0.062 8.291 8.190 0.066 0.000 0.485 454 L N 7.393 128.608 121.223 -0.013 0.000 2.584 454 L HA -0.280 4.050 4.340 -0.018 0.000 0.272 454 L C 0.527 177.373 176.870 -0.040 0.000 1.195 454 L CA 1.468 56.288 54.840 -0.032 0.000 0.920 454 L CB -0.313 41.707 42.059 -0.066 0.000 1.173 454 L HN 0.008 8.123 8.230 -0.016 0.105 0.489 455 G N 4.339 113.124 108.800 -0.026 0.000 2.199 455 G HA2 -0.305 3.693 3.960 -0.015 0.000 0.254 455 G HA3 -0.305 3.634 3.960 -0.036 0.000 0.254 455 G C -0.453 174.444 174.900 -0.004 0.000 0.982 455 G CA 0.664 45.751 45.100 -0.021 0.000 0.632 455 G HN -0.002 8.280 8.290 -0.014 0.000 0.529 456 K N -0.247 120.155 120.400 0.004 0.000 2.363 456 K HA 0.216 4.543 4.320 0.013 0.000 0.215 456 K C -0.118 176.497 176.600 0.025 0.000 1.179 456 K CA 0.246 56.542 56.287 0.015 0.000 0.856 456 K CB 1.405 33.916 32.500 0.017 0.000 1.371 456 K HN -0.255 7.915 8.250 0.003 0.081 0.455 457 A N -2.319 120.519 122.820 0.030 0.000 2.123 457 A HA 0.116 4.632 4.320 0.037 -0.174 0.214 457 A C -0.612 176.992 177.584 0.033 0.000 1.152 457 A CA 1.304 53.361 52.037 0.035 0.000 0.728 457 A CB 1.446 20.469 19.000 0.039 0.000 0.814 457 A HN -0.303 7.864 8.150 0.030 0.000 0.464 458 T N -6.411 108.161 114.554 0.030 0.000 2.864 458 T HA 0.692 5.191 4.350 0.042 -0.124 0.289 458 T C -1.537 173.186 174.700 0.039 0.000 1.082 458 T CA -2.725 59.398 62.100 0.038 0.000 1.009 458 T CB 3.095 71.988 68.868 0.042 0.000 1.234 458 T HN -0.807 7.397 8.240 0.025 0.051 0.526 459 D N -1.204 119.233 120.400 0.062 0.000 2.398 459 D HA -0.077 4.593 4.640 0.050 0.000 0.264 459 D C 0.829 177.150 176.300 0.035 0.000 1.263 459 D CA -1.023 53.019 54.000 0.071 0.000 1.037 459 D CB 0.391 41.265 40.800 0.123 0.000 1.101 459 D HN 0.024 8.440 8.370 0.077 0.000 0.551 460 D N -3.635 116.764 120.400 -0.002 0.000 2.378 460 D HA -0.130 4.404 4.640 -0.176 0.000 0.227 460 D C -0.303 175.705 176.300 -0.487 0.000 1.012 460 D CA 2.148 56.013 54.000 -0.225 0.000 0.905 460 D CB -0.604 40.020 40.800 -0.294 0.000 0.895 460 D HN 0.418 8.823 8.370 0.058 0.000 0.532 461 Y N -2.960 117.352 120.300 0.021 0.000 2.641 461 Y HA 0.168 4.909 4.550 -0.014 -0.200 0.248 461 Y C 0.197 176.122 175.900 0.042 0.000 1.170 461 Y CA -1.501 56.605 58.100 0.011 0.000 1.201 461 Y CB 0.951 39.416 38.460 0.008 0.000 1.232 461 Y HN -0.406 8.207 8.280 0.153 -0.241 0.537 462 G N -1.001 107.878 108.800 0.132 0.000 2.159 462 G HA2 -0.431 3.579 3.960 0.084 0.000 0.256 462 G HA3 -0.431 3.742 3.960 0.132 -0.134 0.256 462 G C -0.562 174.447 174.900 0.180 0.000 0.977 462 G CA -0.025 45.153 45.100 0.129 0.000 0.652 462 G HN -0.505 7.873 8.290 0.085 -0.037 0.531 463 R N 0.651 121.282 120.500 0.218 0.000 2.370 463 R HA 0.009 4.589 4.340 0.178 -0.133 0.309 463 R C 0.337 176.668 176.300 0.052 0.000 1.059 463 R CA -0.034 56.166 56.100 0.166 0.000 0.981 463 R CB 0.121 30.534 30.300 0.188 0.000 0.972 463 R HN -0.425 8.209 8.270 0.231 -0.226 0.437 464 V N 5.814 125.712 119.914 -0.026 0.000 2.529 464 V HA -0.271 3.860 4.120 0.018 0.000 0.292 464 V C -0.532 175.596 176.094 0.057 0.000 1.028 464 V CA 1.402 63.704 62.300 0.005 0.000 1.074 464 V CB 0.290 32.088 31.823 -0.043 0.000 0.958 464 V HN 0.116 8.241 8.190 -0.109 0.000 0.481 465 A N 7.156 130.011 122.820 0.059 0.000 2.511 465 A HA -0.152 4.187 4.320 0.031 0.000 0.242 465 A C 0.434 178.048 177.584 0.050 0.000 1.069 465 A CA 1.620 53.684 52.037 0.044 0.000 0.763 465 A CB -0.030 18.989 19.000 0.032 0.000 1.001 465 A HN -0.043 8.138 8.150 0.052 0.000 0.498 466 G N 1.945 110.713 108.800 -0.053 0.000 2.213 466 G HA2 -0.226 3.584 3.960 -0.251 0.000 0.226 466 G HA3 -0.226 3.868 3.960 -0.261 -0.290 0.226 466 G C -0.929 173.607 174.900 -0.607 0.000 0.992 466 G CA 0.239 45.179 45.100 -0.267 0.000 0.632 466 G HN 0.349 8.610 8.290 -0.047 0.000 0.511 467 Y N -0.934 119.359 120.300 -0.013 0.000 2.524 467 Y HA 0.162 4.729 4.550 0.029 0.000 0.347 467 Y C -1.118 174.768 175.900 -0.024 0.000 1.005 467 Y CA -0.999 57.105 58.100 0.006 0.000 1.025 467 Y CB 3.639 42.111 38.460 0.020 0.000 1.275 467 Y HN -0.760 7.470 8.280 0.020 0.062 0.460 468 K N 2.745 123.239 120.400 0.157 0.000 2.138 468 K HA 0.158 4.496 4.320 0.031 0.000 0.263 468 K C -0.466 176.172 176.600 0.063 0.000 0.965 468 K CA -0.612 55.721 56.287 0.076 0.000 0.868 468 K CB 1.863 34.405 32.500 0.070 0.000 1.083 468 K HN 0.373 8.751 8.250 0.213 0.000 0.443 469 N N -1.904 116.738 118.700 -0.096 0.000 2.741 469 N HA -0.377 4.302 4.740 -0.101 0.000 0.250 469 N C -2.064 173.047 175.510 -0.664 0.000 1.115 469 N CA 0.530 53.486 53.050 -0.156 0.000 0.724 469 N CB -0.366 38.232 38.487 0.185 0.000 1.090 469 N HN 0.478 8.811 8.380 -0.079 0.000 0.558 470 L N -2.153 118.438 121.223 -1.054 0.000 2.372 470 L HA 0.697 4.594 4.340 -0.994 -0.154 0.274 470 L C -2.144 174.129 176.870 -0.996 0.000 0.988 470 L CA -0.624 53.620 54.840 -0.993 0.000 0.833 470 L CB 2.755 44.389 42.059 -0.709 0.000 1.236 470 L HN -0.692 6.938 8.230 -0.929 0.042 0.410 471 Y N 4.067 124.140 120.300 -0.379 0.000 2.512 471 Y HA 0.662 5.277 4.550 -0.179 -0.172 0.348 471 Y C -1.365 174.445 175.900 -0.150 0.000 0.990 471 Y CA -2.437 55.495 58.100 -0.280 0.000 1.033 471 Y CB 4.192 42.357 38.460 -0.491 0.000 1.259 471 Y HN 0.607 8.549 8.280 -0.563 0.000 0.461 472 V N 1.173 121.145 119.914 0.097 0.000 2.555 472 V HA 0.482 4.784 4.120 0.072 -0.139 0.302 472 V C -0.077 176.086 176.094 0.114 0.000 1.038 472 V CA -1.260 61.086 62.300 0.077 0.000 0.887 472 V CB 2.407 34.249 31.823 0.031 0.000 0.991 472 V HN 0.510 8.770 8.190 0.117 0.000 0.434 473 T N -1.156 113.463 114.554 0.108 0.000 3.058 473 T HA 0.215 4.625 4.350 0.101 0.000 0.278 473 T C -0.808 173.929 174.700 0.062 0.000 0.974 473 T CA -1.116 61.044 62.100 0.101 0.000 0.893 473 T CB 1.466 70.412 68.868 0.129 0.000 1.138 473 T HN 0.322 8.618 8.240 0.094 0.000 0.529 474 D N 0.146 120.583 120.400 0.061 0.000 2.784 474 D HA 0.097 4.779 4.640 0.070 0.000 0.256 474 D C 0.986 177.326 176.300 0.067 0.000 1.129 474 D CA -0.838 53.202 54.000 0.068 0.000 1.102 474 D CB 1.010 41.853 40.800 0.071 0.000 1.330 474 D HN -0.897 7.510 8.370 0.061 0.000 0.626 475 G N -1.962 106.889 108.800 0.085 0.000 2.535 475 G HA2 -0.313 3.687 3.960 0.067 0.000 0.218 475 G HA3 -0.313 3.705 3.960 0.098 0.000 0.218 475 G C 1.181 176.131 174.900 0.083 0.000 1.122 475 G CA 1.683 46.833 45.100 0.083 0.000 0.769 475 G HN 0.328 8.677 8.290 0.098 0.000 0.549 476 S N 3.626 119.378 115.700 0.086 0.000 2.402 476 S HA -0.258 4.502 4.470 0.131 -0.211 0.233 476 S C 2.269 176.911 174.600 0.070 0.000 1.030 476 S CA 3.264 61.518 58.200 0.090 0.000 1.003 476 S CB -0.597 62.635 63.200 0.054 0.000 0.813 476 S HN -0.347 8.233 8.310 0.079 -0.222 0.477 477 L N -1.110 120.141 121.223 0.046 0.000 2.217 477 L HA -0.027 4.543 4.340 0.025 -0.215 0.211 477 L C 0.633 177.505 176.870 0.004 0.000 1.107 477 L CA 1.359 56.213 54.840 0.023 0.000 0.783 477 L CB 0.271 42.339 42.059 0.014 0.000 0.919 477 L HN -0.472 7.738 8.230 0.048 0.049 0.442 478 I N -2.442 118.131 120.570 0.006 0.000 2.496 478 I HA 0.122 4.265 4.170 -0.044 0.000 0.285 478 I C -1.628 174.470 176.117 -0.033 0.000 1.080 478 I CA -3.430 57.856 61.300 -0.023 0.000 1.404 478 I CB -1.307 36.689 38.000 -0.007 0.000 1.403 478 I HN -0.801 7.383 8.210 0.022 0.040 0.539 479 P HA 0.142 4.550 4.420 -0.020 0.000 0.226 479 P C 0.014 177.286 177.300 -0.046 0.000 1.783 479 P CA -0.444 62.629 63.100 -0.044 0.000 0.980 479 P CB -1.598 30.062 31.700 -0.066 0.000 1.967 480 G N -0.327 108.424 108.800 -0.081 0.000 2.284 480 G HA2 -0.507 3.473 3.960 -0.282 0.000 0.261 480 G HA3 -0.507 3.382 3.960 -0.119 0.000 0.261 480 G C -1.853 172.983 174.900 -0.108 0.000 0.997 480 G CA 0.925 45.933 45.100 -0.154 0.000 0.621 480 G HN 0.235 8.390 8.290 -0.082 0.085 0.534 481 S N -1.956 113.739 115.700 -0.008 0.000 2.548 481 S HA 0.441 5.140 4.470 0.076 -0.184 0.278 481 S C -1.189 173.503 174.600 0.153 0.000 1.150 481 S CA -0.816 57.450 58.200 0.108 0.000 0.907 481 S CB 1.987 65.341 63.200 0.256 0.000 1.108 481 S HN -0.731 7.488 8.310 -0.018 0.081 0.459 482 V N 6.430 126.441 119.914 0.160 0.000 3.382 482 V HA 0.254 4.522 4.120 0.247 0.000 0.296 482 V C -0.651 175.472 176.094 0.048 0.000 1.529 482 V CA -1.616 60.790 62.300 0.178 0.000 1.048 482 V CB 1.720 33.598 31.823 0.091 0.000 0.878 482 V HN 0.719 9.283 8.190 0.106 -0.311 0.442 483 G N -0.643 108.012 108.800 -0.243 0.000 2.179 483 G HA2 -0.265 2.741 3.960 -1.589 0.000 0.260 483 G HA3 -0.265 2.593 3.960 -1.836 0.000 0.260 483 G C -1.701 172.803 174.900 -0.661 0.000 0.977 483 G CA 0.865 45.247 45.100 -1.196 0.000 0.641 483 G HN -0.559 7.850 8.290 -0.066 -0.158 0.533 484 V N -5.994 113.792 119.914 -0.213 0.000 3.226 484 V HA 0.221 4.533 4.120 0.320 0.000 0.304 484 V C -1.348 174.772 176.094 0.043 0.000 1.336 484 V CA -1.642 60.674 62.300 0.026 0.000 1.066 484 V CB 1.598 33.341 31.823 -0.133 0.000 1.087 484 V HN -0.874 7.137 8.190 -0.164 0.081 0.451 485 N N 3.513 122.256 118.700 0.072 0.000 2.412 485 N HA 0.149 4.507 4.740 -0.636 0.000 0.258 485 N C -0.713 174.728 175.510 -0.115 0.000 1.236 485 N CA -0.646 52.383 53.050 -0.034 0.000 0.882 485 N CB -0.253 38.181 38.487 -0.088 0.000 1.066 485 N HN 0.060 nan 8.380 nan 0.000 0.465 486 P HA 0.193 4.596 4.420 -0.029 0.000 0.245 486 P C -0.067 177.184 177.300 -0.080 0.000 1.203 486 P CA 0.779 63.852 63.100 -0.046 0.000 0.792 486 P CB 0.653 32.362 31.700 0.014 0.000 0.997 487 F N -1.967 117.859 119.950 -0.208 0.000 2.293 487 F HA -0.180 4.050 4.527 -0.494 0.000 0.300 487 F C 0.994 176.595 175.800 -0.332 0.000 1.086 487 F CA 2.194 59.889 58.000 -0.509 0.000 1.375 487 F CB -1.582 36.726 39.000 -1.153 0.000 1.045 487 F HN -0.029 8.102 8.300 -0.282 0.000 0.516 488 V N 1.312 121.149 119.914 -0.129 0.000 2.343 488 V HA -0.387 3.866 4.120 0.222 0.000 0.247 488 V C 2.015 178.224 176.094 0.193 0.000 1.051 488 V CA 4.577 66.937 62.300 0.098 0.000 1.036 488 V CB -1.032 30.799 31.823 0.013 0.000 0.654 488 V HN 0.071 7.997 8.190 -0.440 0.000 0.451 489 T N 2.983 117.651 114.554 0.190 0.000 2.708 489 T HA -0.345 4.219 4.350 0.356 0.000 0.266 489 T C 2.402 177.144 174.700 0.070 0.000 1.037 489 T CA 4.884 67.127 62.100 0.238 0.000 1.146 489 T CB -0.483 68.544 68.868 0.264 0.000 0.865 489 T HN -0.814 7.488 8.240 0.104 0.000 0.435 490 I N 1.493 122.092 120.570 0.048 0.000 2.163 490 I HA -0.570 3.617 4.170 0.029 0.000 0.243 490 I C 1.814 177.938 176.117 0.011 0.000 1.085 490 I CA 4.521 65.838 61.300 0.029 0.000 1.347 490 I CB -0.584 37.440 38.000 0.039 0.000 1.044 490 I HN -0.144 8.092 8.210 0.044 0.000 0.408 491 T N 1.673 116.247 114.554 0.033 0.000 2.708 491 T HA -0.382 3.958 4.350 -0.016 0.000 0.266 491 T C 1.825 176.498 174.700 -0.045 0.000 1.037 491 T CA 4.665 66.778 62.100 0.021 0.000 1.146 491 T CB -0.448 68.502 68.868 0.137 0.000 0.865 491 T HN -0.330 7.931 8.240 0.047 0.007 0.435 492 A N 2.120 124.881 122.820 -0.099 0.000 1.902 492 A HA -0.192 4.037 4.320 -0.151 0.000 0.217 492 A C 1.878 179.272 177.584 -0.316 0.000 1.181 492 A CA 2.936 54.804 52.037 -0.281 0.000 0.623 492 A CB -0.677 17.846 19.000 -0.795 0.000 0.818 492 A HN -0.094 8.021 8.150 -0.059 0.000 0.443 493 L N -0.613 120.455 121.223 -0.259 0.000 2.083 493 L HA -0.242 3.938 4.340 -0.267 0.000 0.209 493 L C 1.712 178.480 176.870 -0.170 0.000 1.083 493 L CA 2.541 57.261 54.840 -0.201 0.000 0.752 493 L CB -0.477 41.534 42.059 -0.081 0.000 0.899 493 L HN -0.139 7.960 8.230 -0.218 0.000 0.433 494 A N -1.451 121.300 122.820 -0.116 0.000 1.930 494 A HA -0.379 3.902 4.320 -0.064 0.000 0.217 494 A C 2.072 179.588 177.584 -0.115 0.000 1.175 494 A CA 3.365 55.348 52.037 -0.091 0.000 0.627 494 A CB -0.842 18.111 19.000 -0.079 0.000 0.815 494 A HN -0.148 7.941 8.150 -0.101 0.000 0.443 495 E N -1.602 118.527 120.200 -0.119 0.000 2.051 495 E HA -0.377 3.959 4.350 -0.024 0.000 0.192 495 E C 2.461 178.940 176.600 -0.202 0.000 0.991 495 E CA 3.283 59.644 56.400 -0.065 0.000 0.799 495 E CB -0.276 29.466 29.700 0.071 0.000 0.748 495 E HN -0.366 7.924 8.360 -0.118 0.000 0.449 496 R N -1.011 119.154 120.500 -0.557 0.000 2.083 496 R HA -0.414 3.095 4.340 -1.385 0.000 0.237 496 R C 2.033 178.175 176.300 -0.263 0.000 1.137 496 R CA 3.648 59.197 56.100 -0.918 0.000 0.951 496 R CB -0.117 29.545 30.300 -1.063 0.000 0.851 496 R HN -0.341 7.613 8.270 -0.526 0.000 0.434 497 N N -0.887 117.739 118.700 -0.123 0.000 2.106 497 N HA -0.225 4.668 4.740 0.254 0.000 0.188 497 N C 2.293 177.799 175.510 -0.007 0.000 1.029 497 N CA 2.988 56.073 53.050 0.059 0.000 0.848 497 N CB -0.236 38.282 38.487 0.052 0.000 1.007 497 N HN -0.292 7.982 8.380 -0.176 0.000 0.423 498 V N 1.140 121.023 119.914 -0.053 0.000 2.515 498 V HA -0.498 3.579 4.120 -0.072 0.000 0.250 498 V C 0.925 176.966 176.094 -0.089 0.000 1.058 498 V CA 3.753 66.005 62.300 -0.080 0.000 1.064 498 V CB 0.043 31.793 31.823 -0.123 0.000 0.675 498 V HN -0.096 8.055 8.190 -0.065 0.000 0.461 499 E N 0.222 120.386 120.200 -0.060 0.000 2.085 499 E HA -0.436 3.896 4.350 -0.031 0.000 0.194 499 E C 1.926 178.488 176.600 -0.064 0.000 0.994 499 E CA 3.662 60.045 56.400 -0.029 0.000 0.801 499 E CB -0.212 29.523 29.700 0.058 0.000 0.743 499 E HN -0.668 7.642 8.360 -0.060 0.015 0.453 500 R N -1.111 119.326 120.500 -0.106 0.000 2.062 500 R HA -0.189 4.044 4.340 -0.179 0.000 0.229 500 R C 2.447 178.619 176.300 -0.212 0.000 1.128 500 R CA 2.088 58.056 56.100 -0.219 0.000 0.960 500 R CB -0.679 29.312 30.300 -0.515 0.000 0.855 500 R HN -0.818 7.401 8.270 -0.085 0.000 0.432 501 I N -0.489 119.967 120.570 -0.190 0.000 2.208 501 I HA -0.515 3.556 4.170 -0.166 0.000 0.245 501 I C 1.934 177.951 176.117 -0.166 0.000 1.097 501 I CA 4.563 65.743 61.300 -0.200 0.000 1.363 501 I CB -0.017 37.769 38.000 -0.357 0.000 1.051 501 I HN -0.232 7.878 8.210 -0.166 0.000 0.413 502 I N -0.806 119.674 120.570 -0.150 0.000 2.226 502 I HA -0.607 3.463 4.170 -0.167 0.000 0.245 502 I C 2.292 178.353 176.117 -0.094 0.000 1.100 502 I CA 4.184 65.403 61.300 -0.134 0.000 1.374 502 I CB -0.423 37.506 38.000 -0.118 0.000 1.057 502 I HN -0.190 7.934 8.210 -0.143 0.000 0.413 503 K N -0.992 119.359 120.400 -0.081 0.000 2.026 503 K HA -0.324 3.969 4.320 -0.044 0.000 0.208 503 K C 2.030 178.601 176.600 -0.049 0.000 1.048 503 K CA 3.030 59.282 56.287 -0.058 0.000 0.929 503 K CB -0.004 32.462 32.500 -0.057 0.000 0.713 503 K HN -0.616 7.580 8.250 -0.090 0.000 0.439 504 Q N -3.420 116.342 119.800 -0.063 0.000 2.339 504 Q HA 0.021 4.346 4.340 -0.025 0.000 0.205 504 Q C 1.224 177.230 176.000 0.010 0.000 0.925 504 Q CA 1.539 57.321 55.803 -0.036 0.000 0.898 504 Q CB 0.503 29.203 28.738 -0.063 0.000 1.013 504 Q HN -0.363 7.854 8.270 -0.089 0.000 0.504 505 D N -3.715 116.693 120.400 0.014 0.000 2.455 505 D HA 0.064 4.779 4.640 0.126 0.000 0.228 505 D C -0.272 176.090 176.300 0.104 0.000 1.070 505 D CA 0.735 54.794 54.000 0.099 0.000 0.881 505 D CB 2.088 42.994 40.800 0.178 0.000 1.087 505 D HN -0.088 8.265 8.370 -0.028 0.000 0.498 506 V N 0.000 119.888 119.914 -0.043 0.000 2.409 506 V HA 0.000 4.036 4.120 -0.140 0.000 0.244 506 V CA 0.000 62.216 62.300 -0.140 0.000 1.235 506 V CB 0.000 31.608 31.823 -0.359 0.000 1.184 506 V HN 0.000 8.151 8.190 -0.065 0.000 0.556