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 2wmz_1_A DATA FIRST_RESID 1 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GYSVGTSTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.727 176.600 0.212 0.000 1.382 1 E CA 0.000 56.540 56.400 0.233 0.000 0.976 1 E CB 0.000 29.877 29.700 0.296 0.000 0.812 2 N N -0.303 118.487 118.700 0.150 0.000 2.671 2 N HA 0.366 5.106 4.740 0.000 0.000 0.303 2 N C 0.415 175.839 175.510 -0.144 0.000 1.277 2 N CA -0.757 52.363 53.050 0.117 0.000 0.933 2 N CB 0.237 38.759 38.487 0.058 0.000 1.190 2 N HN 0.460 nan 8.380 nan 0.000 0.600 3 L N -0.602 120.228 121.223 -0.655 0.000 1.990 3 L HA -0.033 4.308 4.340 0.000 0.000 0.213 3 L C 2.019 178.652 176.870 -0.396 0.000 1.072 3 L CA 1.930 56.137 54.840 -1.054 0.000 0.755 3 L CB -0.930 40.451 42.059 -1.130 0.000 0.889 3 L HN 0.839 nan 8.230 nan 0.000 0.432 4 M N -0.979 118.488 119.600 -0.220 0.000 2.446 4 M HA -0.194 4.286 4.480 0.000 0.000 0.263 4 M C 1.976 178.294 176.300 0.030 0.000 1.066 4 M CA 1.625 56.887 55.300 -0.063 0.000 1.087 4 M CB -0.346 32.227 32.600 -0.045 0.000 1.406 4 M HN 0.476 nan 8.290 nan 0.000 0.459 5 Q N -1.913 117.894 119.800 0.011 0.000 2.200 5 Q HA 0.030 4.370 4.340 0.000 0.000 0.197 5 Q C 1.952 178.000 176.000 0.080 0.000 0.953 5 Q CA 1.162 57.000 55.803 0.059 0.000 0.851 5 Q CB -0.104 28.684 28.738 0.085 0.000 0.938 5 Q HN 0.346 nan 8.270 nan 0.000 0.488 6 V N 0.965 120.916 119.914 0.061 0.000 2.469 6 V HA -0.293 3.827 4.120 0.000 0.000 0.251 6 V C 1.992 178.114 176.094 0.047 0.000 1.064 6 V CA 1.973 64.311 62.300 0.064 0.000 1.066 6 V CB -0.690 31.025 31.823 -0.180 0.000 0.667 6 V HN 0.385 nan 8.190 nan 0.000 0.461 7 Y N 1.295 121.537 120.300 -0.096 0.000 2.089 7 Y HA -0.269 4.281 4.550 0.000 0.000 0.282 7 Y C 2.626 178.502 175.900 -0.039 0.000 1.139 7 Y CA 2.041 60.088 58.100 -0.089 0.000 1.123 7 Y CB -0.536 37.847 38.460 -0.128 0.000 0.980 7 Y HN 0.257 nan 8.280 nan 0.000 0.493 8 Q N -0.084 119.569 119.800 -0.244 0.000 2.181 8 Q HA -0.258 4.082 4.340 0.000 0.000 0.205 8 Q C 2.201 178.076 176.000 -0.209 0.000 0.980 8 Q CA 1.936 57.562 55.803 -0.295 0.000 0.862 8 Q CB -0.184 28.515 28.738 -0.066 0.000 0.905 8 Q HN 0.655 nan 8.270 nan 0.000 0.429 9 Q N -0.875 118.867 119.800 -0.098 0.000 2.369 9 Q HA -0.053 4.287 4.340 0.000 0.000 0.206 9 Q C 1.686 177.638 176.000 -0.079 0.000 0.963 9 Q CA 1.000 56.775 55.803 -0.047 0.000 0.894 9 Q CB 0.138 28.905 28.738 0.048 0.000 0.965 9 Q HN 0.368 nan 8.270 nan 0.000 0.475 10 A N 0.566 123.301 122.820 -0.142 0.000 1.956 10 A HA -0.019 4.301 4.320 0.000 0.000 0.212 10 A C 1.871 179.337 177.584 -0.197 0.000 1.188 10 A CA 0.236 52.192 52.037 -0.135 0.000 0.675 10 A CB -0.140 18.799 19.000 -0.102 0.000 0.845 10 A HN 0.123 nan 8.150 nan 0.000 0.455 11 R N 0.028 120.305 120.500 -0.372 0.000 2.293 11 R HA 0.008 4.349 4.340 0.000 0.000 0.219 11 R C 0.304 176.503 176.300 -0.169 0.000 1.091 11 R CA 0.903 56.799 56.100 -0.340 0.000 1.004 11 R CB -0.235 29.717 30.300 -0.581 0.000 0.865 11 R HN 0.518 nan 8.270 nan 0.000 0.469 12 L N -0.255 120.886 121.223 -0.138 0.000 2.910 12 L HA 0.192 4.532 4.340 0.000 0.000 0.252 12 L C 0.785 177.621 176.870 -0.056 0.000 1.195 12 L CA 0.066 54.859 54.840 -0.078 0.000 1.003 12 L CB 0.893 42.909 42.059 -0.070 0.000 1.328 12 L HN 0.153 nan 8.230 nan 0.000 0.540 13 S N -3.589 112.075 115.700 -0.059 0.000 2.475 13 S HA 0.008 4.479 4.470 0.000 0.000 0.270 13 S C 0.558 175.137 174.600 -0.034 0.000 1.026 13 S CA -0.443 57.732 58.200 -0.042 0.000 1.437 13 S CB -0.160 63.014 63.200 -0.044 0.000 1.215 13 S HN 0.259 nan 8.310 nan 0.000 0.648 14 N N 4.862 123.538 118.700 -0.041 0.000 2.418 14 N HA 0.090 4.830 4.740 0.000 0.000 0.277 14 N C -1.325 174.180 175.510 -0.008 0.000 1.317 14 N CA -0.574 52.460 53.050 -0.027 0.000 0.922 14 N CB 1.101 39.569 38.487 -0.031 0.000 1.194 14 N HN 0.253 nan 8.380 nan 0.000 0.485 15 P HA -0.117 nan 4.420 nan 0.000 0.221 15 P C 0.341 177.649 177.300 0.014 0.000 1.145 15 P CA 1.190 64.291 63.100 0.003 0.000 0.795 15 P CB 0.598 32.296 31.700 -0.003 0.000 0.775 16 E N -0.166 120.042 120.200 0.013 0.000 2.051 16 E HA -0.054 4.296 4.350 0.000 0.000 0.189 16 E C 1.968 178.594 176.600 0.043 0.000 0.979 16 E CA 0.512 56.925 56.400 0.022 0.000 0.803 16 E CB -1.196 28.512 29.700 0.013 0.000 0.761 16 E HN 0.111 nan 8.360 nan 0.000 0.451 17 L N 0.692 121.939 121.223 0.039 0.000 2.201 17 L HA -0.061 4.279 4.340 0.000 0.000 0.212 17 L C 1.796 178.759 176.870 0.156 0.000 1.105 17 L CA 1.551 56.436 54.840 0.074 0.000 0.775 17 L CB -0.012 42.062 42.059 0.025 0.000 0.913 17 L HN -0.066 nan 8.230 nan 0.000 0.440 18 R N -0.770 119.785 120.500 0.091 0.000 2.073 18 R HA -0.095 4.245 4.340 0.000 0.000 0.229 18 R C 2.269 178.609 176.300 0.067 0.000 1.120 18 R CA 0.908 57.055 56.100 0.078 0.000 0.967 18 R CB -0.423 29.896 30.300 0.033 0.000 0.862 18 R HN 0.124 nan 8.270 nan 0.000 0.436 19 K N 0.767 121.201 120.400 0.057 0.000 2.063 19 K HA -0.140 4.181 4.320 0.000 0.000 0.208 19 K C 2.059 178.700 176.600 0.068 0.000 1.048 19 K CA 1.800 58.115 56.287 0.046 0.000 0.928 19 K CB -0.281 32.242 32.500 0.037 0.000 0.713 19 K HN 0.090 nan 8.250 nan 0.000 0.442 20 S N -0.026 115.748 115.700 0.123 0.000 2.402 20 S HA -0.081 4.390 4.470 0.000 0.000 0.229 20 S C 1.956 176.661 174.600 0.175 0.000 1.021 20 S CA 1.274 59.588 58.200 0.191 0.000 0.974 20 S CB -0.171 63.196 63.200 0.278 0.000 0.800 20 S HN 0.409 nan 8.310 nan 0.000 0.484 21 A N 1.708 124.595 122.820 0.112 0.000 1.845 21 A HA 0.203 4.523 4.320 0.000 0.000 0.215 21 A C 2.533 180.011 177.584 -0.176 0.000 1.195 21 A CA 1.863 53.734 52.037 -0.276 0.000 0.616 21 A CB -1.619 17.287 19.000 -0.157 0.000 0.832 21 A HN 0.848 nan 8.150 nan 0.000 0.443 22 A N -0.305 122.476 122.820 -0.064 0.000 2.032 22 A HA -0.227 4.093 4.320 0.000 0.000 0.221 22 A C 1.672 179.245 177.584 -0.018 0.000 1.165 22 A CA 2.130 54.144 52.037 -0.039 0.000 0.645 22 A CB -0.613 18.380 19.000 -0.013 0.000 0.807 22 A HN 0.494 nan 8.150 nan 0.000 0.453 23 D N -1.171 119.229 120.400 0.001 0.000 2.194 23 D HA -0.076 4.564 4.640 0.000 0.000 0.204 23 D C 2.083 178.406 176.300 0.037 0.000 0.964 23 D CA 0.902 54.917 54.000 0.025 0.000 0.846 23 D CB -0.254 40.574 40.800 0.048 0.000 0.962 23 D HN 0.531 nan 8.370 nan 0.000 0.490 24 R N 0.737 121.245 120.500 0.012 0.000 2.093 24 R HA -0.096 4.244 4.340 0.000 0.000 0.224 24 R C 0.971 177.351 176.300 0.133 0.000 1.101 24 R CA 1.020 57.167 56.100 0.078 0.000 0.979 24 R CB 0.140 30.404 30.300 -0.059 0.000 0.877 24 R HN -0.021 nan 8.270 nan 0.000 0.441 25 D N 0.818 121.218 120.400 -0.000 0.000 2.097 25 D HA -0.124 4.516 4.640 0.000 0.000 0.195 25 D C 1.785 178.128 176.300 0.071 0.000 0.989 25 D CA 1.644 55.651 54.000 0.011 0.000 0.827 25 D CB -0.356 40.414 40.800 -0.050 0.000 0.966 25 D HN 0.337 nan 8.370 nan 0.000 0.456 26 A N 1.216 124.061 122.820 0.042 0.000 1.883 26 A HA -0.098 4.223 4.320 0.000 0.000 0.217 26 A C 2.347 179.958 177.584 0.045 0.000 1.186 26 A CA 2.587 54.644 52.037 0.033 0.000 0.624 26 A CB -0.992 18.017 19.000 0.015 0.000 0.822 26 A HN 0.234 nan 8.150 nan 0.000 0.444 27 A N -1.461 121.392 122.820 0.055 0.000 1.948 27 A HA -0.115 4.205 4.320 0.000 0.000 0.220 27 A C 1.968 179.514 177.584 -0.064 0.000 1.177 27 A CA 1.859 53.893 52.037 -0.005 0.000 0.636 27 A CB -0.720 18.278 19.000 -0.003 0.000 0.815 27 A HN 0.504 nan 8.150 nan 0.000 0.449 28 F N -0.832 119.101 119.950 -0.029 0.000 2.270 28 F HA 0.041 4.569 4.527 0.000 0.000 0.295 28 F C 2.298 178.083 175.800 -0.025 0.000 1.087 28 F CA 1.314 59.299 58.000 -0.025 0.000 1.365 28 F CB -0.217 38.765 39.000 -0.030 0.000 1.056 28 F HN 0.280 nan 8.300 nan 0.000 0.506 29 E N 1.212 121.500 120.200 0.146 0.000 2.160 29 E HA -0.240 4.110 4.350 0.000 0.000 0.195 29 E C 1.983 178.597 176.600 0.024 0.000 0.991 29 E CA 1.389 57.830 56.400 0.067 0.000 0.810 29 E CB -0.313 29.411 29.700 0.040 0.000 0.742 29 E HN 0.268 nan 8.360 nan 0.000 0.466 30 K N 0.046 120.448 120.400 0.003 0.000 2.283 30 K HA -0.046 4.274 4.320 0.000 0.000 0.202 30 K C 1.946 178.519 176.600 -0.044 0.000 1.048 30 K CA 1.049 57.319 56.287 -0.027 0.000 0.948 30 K CB -0.185 32.291 32.500 -0.041 0.000 0.742 30 K HN 0.234 nan 8.250 nan 0.000 0.458 31 I N 1.265 121.806 120.570 -0.049 0.000 2.502 31 I HA -0.330 3.841 4.170 0.000 0.000 0.258 31 I C 1.529 177.622 176.117 -0.040 0.000 1.172 31 I CA 1.273 62.539 61.300 -0.057 0.000 1.430 31 I CB -0.452 37.518 38.000 -0.050 0.000 1.086 31 I HN 0.348 nan 8.210 nan 0.000 0.440 32 N N 0.670 119.355 118.700 -0.024 0.000 2.051 32 N HA -0.234 4.506 4.740 0.000 0.000 0.192 32 N C 1.859 177.340 175.510 -0.048 0.000 1.049 32 N CA 1.030 54.063 53.050 -0.028 0.000 0.845 32 N CB -0.163 38.316 38.487 -0.014 0.000 1.031 32 N HN 0.311 nan 8.380 nan 0.000 0.425 33 E N 0.872 121.046 120.200 -0.044 0.000 2.233 33 E HA -0.243 4.107 4.350 0.000 0.000 0.199 33 E C 1.729 178.286 176.600 -0.071 0.000 1.004 33 E CA 1.052 57.420 56.400 -0.052 0.000 0.819 33 E CB -0.009 29.665 29.700 -0.043 0.000 0.738 33 E HN 0.404 nan 8.360 nan 0.000 0.478 34 A N 1.142 123.917 122.820 -0.076 0.000 1.897 34 A HA -0.135 4.186 4.320 0.000 0.000 0.215 34 A C 2.167 179.672 177.584 -0.132 0.000 1.181 34 A CA 1.394 53.374 52.037 -0.094 0.000 0.620 34 A CB -0.393 18.556 19.000 -0.084 0.000 0.821 34 A HN 0.255 nan 8.150 nan 0.000 0.443 35 R N -0.331 120.092 120.500 -0.128 0.000 2.119 35 R HA -0.048 4.292 4.340 0.000 0.000 0.222 35 R C 2.251 178.443 176.300 -0.181 0.000 1.088 35 R CA 1.461 57.453 56.100 -0.181 0.000 0.984 35 R CB -0.392 29.830 30.300 -0.131 0.000 0.884 35 R HN 0.436 nan 8.270 nan 0.000 0.447 36 S N 1.117 116.743 115.700 -0.124 0.000 2.426 36 S HA -0.141 4.329 4.470 0.000 0.000 0.253 36 S C -0.878 173.648 174.600 -0.123 0.000 1.104 36 S CA 1.954 60.092 58.200 -0.103 0.000 1.158 36 S CB -1.014 62.139 63.200 -0.078 0.000 1.043 36 S HN 0.342 nan 8.310 nan 0.000 0.443 37 P HA 0.027 nan 4.420 nan 0.000 0.223 37 P C 1.050 178.234 177.300 -0.193 0.000 1.144 37 P CA 0.833 63.843 63.100 -0.150 0.000 0.783 37 P CB -0.142 31.466 31.700 -0.154 0.000 0.771 38 L N -2.151 118.910 121.223 -0.270 0.000 2.599 38 L HA 0.076 4.417 4.340 0.000 0.000 0.230 38 L C 1.028 177.788 176.870 -0.184 0.000 1.141 38 L CA 0.167 54.808 54.840 -0.332 0.000 0.877 38 L CB -0.292 41.400 42.059 -0.611 0.000 1.009 38 L HN 0.013 nan 8.230 nan 0.000 0.447 39 L N -0.830 120.315 121.223 -0.131 0.000 2.335 39 L HA 0.453 4.793 4.340 0.000 0.000 0.268 39 L C -2.208 174.631 176.870 -0.051 0.000 1.016 39 L CA -2.156 52.639 54.840 -0.075 0.000 0.805 39 L CB 0.630 42.651 42.059 -0.064 0.000 1.311 39 L HN -0.296 nan 8.230 nan 0.000 0.456 40 P HA 0.003 nan 4.420 nan 0.000 0.264 40 P C -1.206 176.080 177.300 -0.023 0.000 1.193 40 P CA 0.095 63.183 63.100 -0.019 0.000 0.763 40 P CB 0.350 32.044 31.700 -0.009 0.000 0.810 41 Q N 2.789 122.576 119.800 -0.021 0.000 2.394 41 Q HA 0.387 4.728 4.340 0.000 0.000 0.259 41 Q C -0.919 175.073 176.000 -0.013 0.000 1.021 41 Q CA -0.688 55.102 55.803 -0.021 0.000 0.805 41 Q CB 1.751 30.474 28.738 -0.026 0.000 1.226 41 Q HN 0.344 nan 8.270 nan 0.000 0.476 42 L N 1.663 122.879 121.223 -0.012 0.000 2.296 42 L HA 0.817 5.157 4.340 0.000 0.000 0.286 42 L C -0.177 176.689 176.870 -0.007 0.000 1.023 42 L CA -0.083 54.753 54.840 -0.007 0.000 0.812 42 L CB 1.763 43.819 42.059 -0.005 0.000 1.223 42 L HN 0.591 nan 8.230 nan 0.000 0.421 43 G N 3.852 112.649 108.800 -0.005 0.000 2.642 43 G HA2 0.601 4.561 3.960 0.000 0.000 0.293 43 G HA3 0.601 4.561 3.960 0.000 0.000 0.293 43 G C -2.327 172.573 174.900 -0.001 0.000 1.341 43 G CA -0.608 44.490 45.100 -0.004 0.000 0.916 43 G HN 0.559 nan 8.290 nan 0.000 0.474 44 L N 0.825 122.048 121.223 -0.000 0.000 2.356 44 L HA 0.866 5.207 4.340 0.000 0.000 0.277 44 L C 0.236 177.108 176.870 0.004 0.000 0.996 44 L CA -0.374 54.467 54.840 0.002 0.000 0.822 44 L CB 1.688 43.748 42.059 0.002 0.000 1.256 44 L HN 0.829 nan 8.230 nan 0.000 0.413 45 G N 3.218 112.021 108.800 0.005 0.000 2.498 45 G HA2 0.884 4.844 3.960 0.000 0.000 0.312 45 G HA3 0.884 4.844 3.960 0.000 0.000 0.312 45 G C -1.785 173.122 174.900 0.011 0.000 1.230 45 G CA -0.284 44.820 45.100 0.008 0.000 0.968 45 G HN 1.072 nan 8.290 nan 0.000 0.481 46 A N 1.309 124.139 122.820 0.017 0.000 2.512 46 A HA 0.664 4.984 4.320 0.000 0.000 0.294 46 A C -1.478 176.128 177.584 0.038 0.000 1.054 46 A CA -0.718 51.334 52.037 0.025 0.000 0.756 46 A CB 1.441 20.457 19.000 0.027 0.000 1.293 46 A HN 0.540 nan 8.150 nan 0.000 0.395 47 D N 0.113 120.538 120.400 0.042 0.000 2.493 47 D HA 0.580 5.220 4.640 0.000 0.000 0.239 47 D C -1.546 174.815 176.300 0.103 0.000 1.049 47 D CA 0.014 54.051 54.000 0.062 0.000 1.008 47 D CB 2.377 43.193 40.800 0.026 0.000 1.398 47 D HN 0.543 nan 8.370 nan 0.000 0.513 48 Y N 0.013 120.313 120.300 -0.001 0.000 2.361 48 Y HA 0.337 4.887 4.550 0.000 0.000 0.328 48 Y C -1.498 174.408 175.900 0.011 0.000 1.044 48 Y CA -0.237 57.865 58.100 0.002 0.000 1.085 48 Y CB 1.862 40.327 38.460 0.007 0.000 1.194 48 Y HN 0.145 nan 8.280 nan 0.000 0.438 49 T N 6.230 120.482 114.554 -0.503 0.000 2.949 49 T HA 0.181 4.531 4.350 0.000 0.000 0.300 49 T C -1.789 172.724 174.700 -0.311 0.000 0.988 49 T CA -0.489 61.468 62.100 -0.239 0.000 0.993 49 T CB 0.555 69.335 68.868 -0.147 0.000 0.984 49 T HN 0.539 nan 8.240 nan 0.000 0.442 50 Y N 2.955 123.171 120.300 -0.139 0.000 2.367 50 Y HA 0.578 5.128 4.550 0.000 0.000 0.342 50 Y C -0.128 175.742 175.900 -0.051 0.000 0.979 50 Y CA -0.352 57.700 58.100 -0.079 0.000 1.161 50 Y CB 0.587 39.101 38.460 0.089 0.000 1.155 50 Y HN 0.571 nan 8.280 nan 0.000 0.503 51 S N 5.707 120.921 115.700 -0.810 0.000 2.651 51 S HA 0.361 4.831 4.470 0.000 0.000 0.291 51 S C -0.831 173.278 174.600 -0.817 0.000 1.141 51 S CA -1.028 56.813 58.200 -0.599 0.000 1.027 51 S CB 0.882 63.871 63.200 -0.350 0.000 1.043 51 S HN 0.814 nan 8.310 nan 0.000 0.530 52 N N 0.915 119.398 118.700 -0.361 0.000 2.701 52 N HA 0.226 4.966 4.740 0.000 0.000 0.258 52 N C -0.142 175.346 175.510 -0.038 0.000 1.262 52 N CA -0.411 52.547 53.050 -0.153 0.000 0.780 52 N CB 0.575 39.122 38.487 0.100 0.000 1.380 52 N HN 0.738 nan 8.380 nan 0.000 0.548 53 G N 1.559 110.311 108.800 -0.080 0.000 2.554 53 G HA2 0.082 4.042 3.960 0.000 0.000 0.238 53 G HA3 0.082 4.042 3.960 0.000 0.000 0.238 53 G C -0.223 174.697 174.900 0.033 0.000 1.259 53 G CA 0.282 45.325 45.100 -0.096 0.000 0.843 53 G HN 0.737 nan 8.290 nan 0.000 0.582 54 Y N -1.371 118.928 120.300 -0.003 0.000 2.830 54 Y HA 0.542 5.093 4.550 0.000 0.000 0.248 54 Y C 0.707 176.612 175.900 0.008 0.000 1.119 54 Y CA -1.181 56.924 58.100 0.007 0.000 1.164 54 Y CB -0.252 38.215 38.460 0.013 0.000 1.237 54 Y HN 0.527 nan 8.280 nan 0.000 0.598 55 R N -0.393 120.178 120.500 0.118 0.000 2.905 55 R HA 0.194 4.534 4.340 0.000 0.000 0.092 55 R C 0.129 176.455 176.300 0.043 0.000 0.620 55 R CA 0.072 56.236 56.100 0.106 0.000 0.438 55 R CB -0.324 30.024 30.300 0.079 0.000 0.367 55 R HN -0.018 nan 8.270 nan 0.000 0.325 56 D N 1.336 121.742 120.400 0.011 0.000 2.310 56 D HA -0.004 4.636 4.640 0.000 0.000 0.212 56 D C 1.153 177.452 176.300 -0.002 0.000 0.965 56 D CA 1.145 55.149 54.000 0.007 0.000 0.879 56 D CB 0.036 40.834 40.800 -0.002 0.000 0.921 56 D HN 0.412 nan 8.370 nan 0.000 0.510 57 A N 0.077 122.880 122.820 -0.028 0.000 2.251 57 A HA -0.024 4.296 4.320 0.000 0.000 0.209 57 A C 1.159 178.733 177.584 -0.017 0.000 1.187 57 A CA -0.267 51.744 52.037 -0.044 0.000 0.823 57 A CB -0.268 18.668 19.000 -0.106 0.000 0.846 57 A HN 0.070 nan 8.150 nan 0.000 0.486 58 N N 0.425 119.138 118.700 0.022 0.000 2.292 58 N HA 0.095 4.835 4.740 0.000 0.000 0.242 58 N C 1.278 176.810 175.510 0.036 0.000 1.243 58 N CA 1.812 54.894 53.050 0.053 0.000 0.851 58 N CB 0.237 38.767 38.487 0.071 0.000 1.093 58 N HN 0.663 nan 8.380 nan 0.000 0.450 59 G N 2.157 110.982 108.800 0.042 0.000 2.189 59 G HA2 -0.253 3.707 3.960 0.000 0.000 0.267 59 G HA3 -0.253 3.707 3.960 0.000 0.000 0.267 59 G C 0.195 175.096 174.900 0.002 0.000 0.975 59 G CA 0.650 45.771 45.100 0.035 0.000 0.644 59 G HN 0.619 nan 8.290 nan 0.000 0.537 60 I N 1.225 121.775 120.570 -0.034 0.000 2.355 60 I HA 0.382 4.552 4.170 0.000 0.000 0.288 60 I C -0.031 176.023 176.117 -0.106 0.000 0.999 60 I CA -0.657 60.571 61.300 -0.119 0.000 1.163 60 I CB 1.325 39.226 38.000 -0.165 0.000 1.316 60 I HN 0.126 nan 8.210 nan 0.000 0.454 61 N N 3.838 122.476 118.700 -0.103 0.000 2.380 61 N HA 0.762 5.502 4.740 0.000 0.000 0.290 61 N C -1.155 174.250 175.510 -0.175 0.000 1.236 61 N CA -0.784 52.173 53.050 -0.155 0.000 0.780 61 N CB 2.363 40.820 38.487 -0.049 0.000 1.438 61 N HN 0.646 nan 8.380 nan 0.000 0.491 62 S N -0.042 115.448 115.700 -0.350 0.000 2.565 62 S HA 0.495 4.965 4.470 0.000 0.000 0.269 62 S C -1.744 172.621 174.600 -0.391 0.000 1.153 62 S CA -1.028 56.933 58.200 -0.397 0.000 0.835 62 S CB 1.560 64.467 63.200 -0.489 0.000 1.122 62 S HN 0.555 nan 8.310 nan 0.000 0.462 63 N N 0.333 118.822 118.700 -0.351 0.000 2.577 63 N HA 0.724 5.464 4.740 0.000 0.000 0.275 63 N C -1.036 174.245 175.510 -0.381 0.000 1.091 63 N CA -0.189 52.679 53.050 -0.303 0.000 0.843 63 N CB 1.813 40.240 38.487 -0.101 0.000 1.295 63 N HN 0.988 nan 8.380 nan 0.000 0.530 64 A N 1.104 123.655 122.820 -0.447 0.000 2.337 64 A HA 0.892 5.212 4.320 0.000 0.000 0.331 64 A C -0.255 177.113 177.584 -0.360 0.000 1.137 64 A CA -0.577 51.253 52.037 -0.345 0.000 0.807 64 A CB 0.905 19.738 19.000 -0.279 0.000 1.250 64 A HN 0.472 nan 8.150 nan 0.000 0.468 65 T N -1.062 113.374 114.554 -0.197 0.000 3.032 65 T HA 0.700 5.050 4.350 0.000 0.000 0.312 65 T C -0.392 174.279 174.700 -0.047 0.000 1.078 65 T CA -0.007 62.033 62.100 -0.100 0.000 1.028 65 T CB 0.983 69.855 68.868 0.006 0.000 1.091 65 T HN 1.469 nan 8.240 nan 0.000 0.457 66 S N 1.358 117.044 115.700 -0.023 0.000 2.715 66 S HA 0.978 5.448 4.470 0.000 0.000 0.307 66 S C -0.492 174.112 174.600 0.006 0.000 1.119 66 S CA -0.852 57.340 58.200 -0.013 0.000 0.937 66 S CB 1.764 64.952 63.200 -0.020 0.000 1.150 66 S HN 2.060 nan 8.310 nan 0.000 0.521 67 A N 1.227 124.050 122.820 0.005 0.000 2.480 67 A HA 0.597 4.917 4.320 0.000 0.000 0.302 67 A C -0.280 177.308 177.584 0.006 0.000 1.151 67 A CA -0.434 51.608 52.037 0.009 0.000 0.907 67 A CB 0.008 19.016 19.000 0.013 0.000 1.487 67 A HN 1.452 nan 8.150 nan 0.000 0.396 68 S N 0.864 116.567 115.700 0.005 0.000 2.690 68 S HA 0.851 5.321 4.470 0.000 0.000 0.291 68 S C -0.497 174.106 174.600 0.004 0.000 1.138 68 S CA -0.698 57.505 58.200 0.004 0.000 1.013 68 S CB 1.774 64.976 63.200 0.003 0.000 1.053 68 S HN 1.492 nan 8.310 nan 0.000 0.539 69 L N 1.590 122.815 121.223 0.004 0.000 2.401 69 L HA 0.462 4.803 4.340 0.000 0.000 0.263 69 L C -0.669 176.203 176.870 0.004 0.000 1.004 69 L CA -0.086 54.756 54.840 0.004 0.000 0.881 69 L CB 1.115 43.176 42.059 0.004 0.000 1.219 69 L HN 0.832 nan 8.230 nan 0.000 0.441 70 Q N 3.716 123.517 119.800 0.003 0.000 2.214 70 Q HA 0.710 5.050 4.340 0.000 0.000 0.251 70 Q C -1.252 174.749 176.000 0.001 0.000 0.936 70 Q CA -0.532 55.272 55.803 0.003 0.000 0.894 70 Q CB 2.819 31.558 28.738 0.002 0.000 1.252 70 Q HN 0.654 nan 8.270 nan 0.000 0.448 71 L N 0.535 121.760 121.223 0.003 0.000 2.455 71 L HA 0.694 5.035 4.340 0.000 0.000 0.264 71 L C -1.338 175.534 176.870 0.003 0.000 0.968 71 L CA -0.323 54.518 54.840 0.002 0.000 0.827 71 L CB 2.350 44.411 42.059 0.004 0.000 1.317 71 L HN 0.780 nan 8.230 nan 0.000 0.407 72 T N 0.747 115.301 114.554 -0.001 0.000 2.907 72 T HA 0.725 5.075 4.350 0.000 0.000 0.292 72 T C -0.917 173.782 174.700 -0.002 0.000 1.043 72 T CA -0.691 61.410 62.100 0.000 0.000 1.003 72 T CB 1.940 70.804 68.868 -0.006 0.000 1.084 72 T HN 0.569 nan 8.240 nan 0.000 0.483 73 Q N 0.822 120.626 119.800 0.006 0.000 2.263 73 Q HA 0.506 4.846 4.340 0.000 0.000 0.262 73 Q C -1.048 174.963 176.000 0.020 0.000 0.984 73 Q CA -0.280 55.528 55.803 0.009 0.000 0.813 73 Q CB 2.311 31.062 28.738 0.021 0.000 1.299 73 Q HN 0.817 nan 8.270 nan 0.000 0.428 74 S N 4.867 120.570 115.700 0.004 0.000 2.505 74 S HA 0.314 4.785 4.470 0.000 0.000 0.276 74 S C 0.792 175.441 174.600 0.082 0.000 1.274 74 S CA -0.403 57.809 58.200 0.020 0.000 1.053 74 S CB 0.161 63.337 63.200 -0.039 0.000 0.919 74 S HN 0.660 nan 8.310 nan 0.000 0.490 75 I N 3.636 124.283 120.570 0.128 0.000 2.685 75 I HA 0.286 4.456 4.170 0.000 0.000 0.251 75 I C 0.332 176.628 176.117 0.297 0.000 1.102 75 I CA 0.800 62.212 61.300 0.187 0.000 1.442 75 I CB -0.505 37.597 38.000 0.171 0.000 1.194 75 I HN 0.679 nan 8.210 nan 0.000 0.448 76 F N 1.976 122.003 119.950 0.128 0.000 3.034 76 F HA 0.414 4.941 4.527 0.000 0.000 0.371 76 F C -1.280 174.594 175.800 0.124 0.000 1.233 76 F CA -0.847 57.242 58.000 0.148 0.000 1.134 76 F CB 0.686 39.746 39.000 0.100 0.000 1.495 76 F HN -0.139 nan 8.300 nan 0.000 0.563 77 D N 6.846 127.041 120.400 -0.340 0.000 2.346 77 D HA 0.193 4.833 4.640 0.000 0.000 0.255 77 D C 1.062 177.195 176.300 -0.278 0.000 1.276 77 D CA -0.253 53.577 54.000 -0.283 0.000 0.941 77 D CB 0.941 41.671 40.800 -0.116 0.000 1.199 77 D HN 0.409 nan 8.370 nan 0.000 0.537 78 M N 1.127 120.430 119.600 -0.496 0.000 2.089 78 M HA -0.201 4.279 4.480 0.000 0.000 0.257 78 M C 2.172 178.455 176.300 -0.029 0.000 1.071 78 M CA 1.545 56.712 55.300 -0.223 0.000 1.096 78 M CB -1.354 31.135 32.600 -0.184 0.000 1.330 78 M HN 0.493 nan 8.290 nan 0.000 0.403 79 S N -0.348 115.311 115.700 -0.068 0.000 2.383 79 S HA -0.173 4.298 4.470 0.000 0.000 0.229 79 S C 1.876 176.438 174.600 -0.064 0.000 1.030 79 S CA 1.179 59.349 58.200 -0.052 0.000 1.002 79 S CB -0.537 62.623 63.200 -0.066 0.000 0.829 79 S HN 0.477 nan 8.310 nan 0.000 0.467 80 K N -0.114 120.218 120.400 -0.113 0.000 2.209 80 K HA -0.074 4.246 4.320 0.000 0.000 0.204 80 K C 1.714 178.142 176.600 -0.287 0.000 1.048 80 K CA 1.429 57.587 56.287 -0.215 0.000 0.940 80 K CB -0.211 32.111 32.500 -0.297 0.000 0.729 80 K HN 0.574 nan 8.250 nan 0.000 0.451 81 W N 0.883 122.111 121.300 -0.121 0.000 2.452 81 W HA -0.060 4.600 4.660 0.000 0.000 0.313 81 W C 2.492 178.964 176.519 -0.078 0.000 1.176 81 W CA 0.335 57.622 57.345 -0.096 0.000 1.350 81 W CB -0.452 28.941 29.460 -0.112 0.000 1.148 81 W HN -0.019 nan 8.180 nan 0.000 0.498 82 R N 1.288 121.882 120.500 0.157 0.000 2.162 82 R HA -0.295 4.045 4.340 0.000 0.000 0.245 82 R C 2.068 178.381 176.300 0.022 0.000 1.129 82 R CA 2.701 58.840 56.100 0.066 0.000 0.940 82 R CB -1.339 28.974 30.300 0.022 0.000 0.875 82 R HN 0.145 nan 8.270 nan 0.000 0.437 83 A N 0.192 123.001 122.820 -0.019 0.000 1.873 83 A HA -0.205 4.115 4.320 0.000 0.000 0.218 83 A C 2.128 179.682 177.584 -0.050 0.000 1.193 83 A CA 1.841 53.849 52.037 -0.047 0.000 0.629 83 A CB -0.960 17.994 19.000 -0.078 0.000 0.826 83 A HN 0.404 nan 8.150 nan 0.000 0.447 84 L N -0.342 120.843 121.223 -0.063 0.000 1.989 84 L HA -0.141 4.199 4.340 0.000 0.000 0.211 84 L C 2.470 179.333 176.870 -0.013 0.000 1.071 84 L CA 2.952 57.756 54.840 -0.059 0.000 0.749 84 L CB -1.409 40.596 42.059 -0.089 0.000 0.890 84 L HN 0.404 nan 8.230 nan 0.000 0.431 85 T N 0.183 114.759 114.554 0.036 0.000 2.597 85 T HA -0.257 4.093 4.350 0.000 0.000 0.267 85 T C 1.976 176.674 174.700 -0.003 0.000 1.053 85 T CA 2.268 64.390 62.100 0.036 0.000 1.165 85 T CB -0.476 68.427 68.868 0.059 0.000 0.863 85 T HN 0.353 nan 8.240 nan 0.000 0.427 86 L N 0.812 122.030 121.223 -0.009 0.000 2.079 86 L HA -0.169 4.172 4.340 0.000 0.000 0.210 86 L C 2.828 179.668 176.870 -0.050 0.000 1.081 86 L CA 1.297 56.123 54.840 -0.023 0.000 0.752 86 L CB -0.525 41.522 42.059 -0.019 0.000 0.896 86 L HN 0.243 nan 8.230 nan 0.000 0.433 87 Q N 0.465 120.228 119.800 -0.062 0.000 2.224 87 Q HA -0.197 4.143 4.340 0.000 0.000 0.203 87 Q C 1.859 177.774 176.000 -0.141 0.000 0.970 87 Q CA 1.562 57.309 55.803 -0.093 0.000 0.865 87 Q CB 0.023 28.709 28.738 -0.087 0.000 0.922 87 Q HN 0.528 nan 8.270 nan 0.000 0.445 88 E N -0.263 119.868 120.200 -0.114 0.000 2.051 88 E HA -0.106 4.244 4.350 0.000 0.000 0.189 88 E C 1.927 178.434 176.600 -0.156 0.000 0.979 88 E CA 0.940 57.251 56.400 -0.148 0.000 0.803 88 E CB -0.051 29.612 29.700 -0.062 0.000 0.761 88 E HN 0.274 nan 8.360 nan 0.000 0.451 89 K N 0.840 121.189 120.400 -0.084 0.000 2.103 89 K HA -0.137 4.183 4.320 0.000 0.000 0.207 89 K C 2.192 178.743 176.600 -0.083 0.000 1.048 89 K CA 1.106 57.358 56.287 -0.057 0.000 0.930 89 K CB -0.151 32.336 32.500 -0.020 0.000 0.716 89 K HN 0.061 nan 8.250 nan 0.000 0.444 90 A N 1.530 124.286 122.820 -0.106 0.000 1.873 90 A HA -0.103 4.217 4.320 0.000 0.000 0.215 90 A C 2.392 179.871 177.584 -0.176 0.000 1.186 90 A CA 1.774 53.747 52.037 -0.107 0.000 0.616 90 A CB -0.686 18.256 19.000 -0.096 0.000 0.823 90 A HN 0.325 nan 8.150 nan 0.000 0.442 91 A N -0.430 122.175 122.820 -0.357 0.000 1.933 91 A HA 0.110 4.430 4.320 0.000 0.000 0.218 91 A C 2.386 179.697 177.584 -0.454 0.000 1.175 91 A CA 1.952 53.565 52.037 -0.708 0.000 0.628 91 A CB -1.372 16.652 19.000 -1.627 0.000 0.814 91 A HN 0.719 nan 8.150 nan 0.000 0.444 92 G N 0.169 108.814 108.800 -0.258 0.000 2.459 92 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 92 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 92 G C 1.526 176.463 174.900 0.062 0.000 1.183 92 G CA 1.151 46.257 45.100 0.009 0.000 0.776 92 G HN 0.475 nan 8.290 nan 0.000 0.552 93 I N 0.383 120.962 120.570 0.014 0.000 2.286 93 I HA -0.202 3.968 4.170 0.000 0.000 0.248 93 I C 2.825 178.981 176.117 0.065 0.000 1.115 93 I CA 1.468 62.791 61.300 0.037 0.000 1.392 93 I CB -0.194 37.815 38.000 0.015 0.000 1.065 93 I HN 0.218 nan 8.210 nan 0.000 0.418 94 Q N 1.106 120.940 119.800 0.058 0.000 2.226 94 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 94 Q C 1.567 177.684 176.000 0.194 0.000 0.975 94 Q CA 1.868 57.734 55.803 0.105 0.000 0.866 94 Q CB -0.210 28.577 28.738 0.082 0.000 0.915 94 Q HN 0.432 nan 8.270 nan 0.000 0.440 95 D N -1.410 119.142 120.400 0.253 0.000 2.091 95 D HA -0.104 4.536 4.640 0.000 0.000 0.199 95 D C 1.726 178.154 176.300 0.214 0.000 0.980 95 D CA 1.357 55.530 54.000 0.289 0.000 0.831 95 D CB -0.043 40.955 40.800 0.331 0.000 0.987 95 D HN 0.146 nan 8.370 nan 0.000 0.460 96 V N 0.232 120.238 119.914 0.152 0.000 2.380 96 V HA -0.294 3.826 4.120 0.000 0.000 0.251 96 V C 2.475 178.626 176.094 0.094 0.000 1.063 96 V CA 2.099 64.462 62.300 0.103 0.000 1.055 96 V CB -0.856 31.013 31.823 0.075 0.000 0.657 96 V HN 0.310 nan 8.190 nan 0.000 0.455 97 T N -1.200 113.421 114.554 0.111 0.000 2.643 97 T HA -0.237 4.113 4.350 0.000 0.000 0.264 97 T C 1.740 176.510 174.700 0.117 0.000 1.045 97 T CA 2.073 64.232 62.100 0.098 0.000 1.155 97 T CB -0.384 68.545 68.868 0.103 0.000 0.863 97 T HN 0.571 nan 8.240 nan 0.000 0.420 98 Y N 2.022 122.351 120.300 0.049 0.000 2.139 98 Y HA -0.263 4.287 4.550 0.000 0.000 0.282 98 Y C 2.521 178.440 175.900 0.031 0.000 1.179 98 Y CA 1.629 59.752 58.100 0.039 0.000 1.161 98 Y CB -0.563 37.923 38.460 0.043 0.000 0.970 98 Y HN 0.320 nan 8.280 nan 0.000 0.511 99 Q N -1.057 118.731 119.800 -0.021 0.000 2.030 99 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 99 Q C 2.209 178.133 176.000 -0.126 0.000 0.986 99 Q CA 2.475 58.216 55.803 -0.103 0.000 0.843 99 Q CB -0.489 28.253 28.738 0.007 0.000 0.904 99 Q HN 0.423 nan 8.270 nan 0.000 0.420 100 T N 1.319 115.838 114.554 -0.057 0.000 2.699 100 T HA -0.162 4.188 4.350 0.000 0.000 0.268 100 T C 1.159 175.812 174.700 -0.078 0.000 1.036 100 T CA 1.570 63.641 62.100 -0.047 0.000 1.147 100 T CB -0.314 68.546 68.868 -0.012 0.000 0.862 100 T HN 0.254 nan 8.240 nan 0.000 0.446 101 D N 0.874 121.209 120.400 -0.108 0.000 2.264 101 D HA -0.039 4.602 4.640 0.000 0.000 0.208 101 D C 2.285 178.476 176.300 -0.181 0.000 0.966 101 D CA 0.761 54.691 54.000 -0.117 0.000 0.864 101 D CB -0.131 40.616 40.800 -0.088 0.000 0.933 101 D HN 0.525 nan 8.370 nan 0.000 0.499 102 Q N 0.158 119.787 119.800 -0.285 0.000 2.062 102 Q HA -0.064 4.276 4.340 0.000 0.000 0.196 102 Q C 2.217 178.155 176.000 -0.102 0.000 0.967 102 Q CA 0.692 56.349 55.803 -0.245 0.000 0.832 102 Q CB 0.023 28.572 28.738 -0.315 0.000 0.899 102 Q HN 0.356 nan 8.270 nan 0.000 0.442 103 Q N -0.046 119.697 119.800 -0.094 0.000 2.061 103 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 103 Q C 2.119 178.092 176.000 -0.046 0.000 0.984 103 Q CA 1.757 57.523 55.803 -0.063 0.000 0.846 103 Q CB -0.215 28.490 28.738 -0.055 0.000 0.902 103 Q HN 0.350 nan 8.270 nan 0.000 0.421 104 T N 1.759 116.287 114.554 -0.043 0.000 2.778 104 T HA -0.161 4.190 4.350 0.000 0.000 0.269 104 T C 1.717 176.411 174.700 -0.009 0.000 1.050 104 T CA 1.006 63.091 62.100 -0.026 0.000 1.137 104 T CB -0.235 68.618 68.868 -0.024 0.000 0.860 104 T HN 0.127 nan 8.240 nan 0.000 0.468 105 L N 0.526 121.751 121.223 0.003 0.000 2.141 105 L HA 0.092 4.432 4.340 0.000 0.000 0.209 105 L C 1.951 178.883 176.870 0.104 0.000 1.094 105 L CA 1.324 56.194 54.840 0.050 0.000 0.763 105 L CB -0.493 41.603 42.059 0.062 0.000 0.908 105 L HN 0.287 nan 8.230 nan 0.000 0.437 106 I N -1.339 119.265 120.570 0.057 0.000 2.094 106 I HA -0.313 3.857 4.170 0.000 0.000 0.234 106 I C 2.401 178.476 176.117 -0.071 0.000 1.063 106 I CA 1.430 62.692 61.300 -0.064 0.000 1.328 106 I CB -0.372 37.517 38.000 -0.186 0.000 1.058 106 I HN 0.215 nan 8.210 nan 0.000 0.400 107 L N 0.862 122.051 121.223 -0.056 0.000 2.021 107 L HA -0.339 4.001 4.340 0.000 0.000 0.215 107 L C 2.181 179.040 176.870 -0.019 0.000 1.074 107 L CA 2.149 56.968 54.840 -0.036 0.000 0.760 107 L CB -0.504 41.542 42.059 -0.022 0.000 0.889 107 L HN 0.374 nan 8.230 nan 0.000 0.433 108 N N -2.046 116.649 118.700 -0.009 0.000 2.188 108 N HA -0.153 4.587 4.740 0.000 0.000 0.184 108 N C 1.524 177.031 175.510 -0.006 0.000 1.018 108 N CA 1.497 54.546 53.050 -0.002 0.000 0.858 108 N CB 0.027 38.515 38.487 0.002 0.000 0.989 108 N HN 0.314 nan 8.380 nan 0.000 0.426 109 T N 0.603 115.159 114.554 0.003 0.000 2.770 109 T HA -0.020 4.331 4.350 0.000 0.000 0.263 109 T C 2.098 176.756 174.700 -0.070 0.000 1.039 109 T CA 1.035 63.136 62.100 0.001 0.000 1.142 109 T CB -0.245 68.679 68.868 0.094 0.000 0.868 109 T HN 0.280 nan 8.240 nan 0.000 0.435 110 A N 1.364 124.104 122.820 -0.133 0.000 1.865 110 A HA -0.169 4.151 4.320 0.000 0.000 0.217 110 A C 2.548 180.020 177.584 -0.185 0.000 1.191 110 A CA 2.346 54.216 52.037 -0.280 0.000 0.623 110 A CB -1.409 17.465 19.000 -0.210 0.000 0.826 110 A HN 0.463 nan 8.150 nan 0.000 0.444 111 T N 0.296 114.835 114.554 -0.025 0.000 2.684 111 T HA -0.079 4.271 4.350 0.000 0.000 0.267 111 T C 2.215 176.928 174.700 0.022 0.000 1.036 111 T CA 1.877 64.010 62.100 0.056 0.000 1.148 111 T CB -0.560 68.335 68.868 0.046 0.000 0.863 111 T HN 0.639 nan 8.240 nan 0.000 0.436 112 A N 0.229 123.042 122.820 -0.011 0.000 1.940 112 A HA -0.135 4.185 4.320 0.000 0.000 0.219 112 A C 2.088 179.638 177.584 -0.056 0.000 1.176 112 A CA 1.712 53.732 52.037 -0.028 0.000 0.631 112 A CB -0.942 18.042 19.000 -0.027 0.000 0.814 112 A HN 0.639 nan 8.150 nan 0.000 0.446 113 Y N -0.960 119.207 120.300 -0.221 0.000 2.184 113 Y HA -0.106 4.444 4.550 0.000 0.000 0.290 113 Y C 1.688 177.454 175.900 -0.223 0.000 1.129 113 Y CA 1.622 59.541 58.100 -0.302 0.000 1.144 113 Y CB -0.291 37.889 38.460 -0.466 0.000 0.995 113 Y HN 0.257 nan 8.280 nan 0.000 0.513 114 F N 0.579 120.560 119.950 0.051 0.000 2.699 114 F HA -0.072 4.455 4.527 0.000 0.000 0.298 114 F C 1.837 177.411 175.800 -0.376 0.000 1.154 114 F CA 0.451 58.353 58.000 -0.164 0.000 1.457 114 F CB -0.670 38.311 39.000 -0.031 0.000 1.106 114 F HN 0.208 nan 8.300 nan 0.000 0.585 115 N N -0.400 118.254 118.700 -0.076 0.000 2.368 115 N HA -0.039 4.701 4.740 0.000 0.000 0.176 115 N C 2.109 177.511 175.510 -0.179 0.000 1.021 115 N CA 0.701 53.674 53.050 -0.127 0.000 0.888 115 N CB -0.135 38.313 38.487 -0.065 0.000 0.995 115 N HN 0.098 nan 8.380 nan 0.000 0.437 116 V N 1.642 121.434 119.914 -0.204 0.000 2.667 116 V HA -0.065 4.055 4.120 0.000 0.000 0.252 116 V C 2.309 178.251 176.094 -0.253 0.000 1.065 116 V CA 0.895 63.064 62.300 -0.217 0.000 1.083 116 V CB -0.249 31.416 31.823 -0.263 0.000 0.692 116 V HN 0.223 nan 8.190 nan 0.000 0.468 117 L N -0.101 120.929 121.223 -0.321 0.000 2.049 117 L HA -0.106 4.234 4.340 0.000 0.000 0.203 117 L C 2.390 179.044 176.870 -0.359 0.000 1.074 117 L CA 1.864 56.518 54.840 -0.310 0.000 0.749 117 L CB -0.599 41.303 42.059 -0.262 0.000 0.907 117 L HN 0.377 nan 8.230 nan 0.000 0.439 118 N N 0.193 118.528 118.700 -0.607 0.000 2.289 118 N HA -0.149 4.591 4.740 0.000 0.000 0.184 118 N C 1.656 177.061 175.510 -0.175 0.000 1.016 118 N CA 1.233 54.059 53.050 -0.372 0.000 0.872 118 N CB 0.079 38.352 38.487 -0.357 0.000 0.973 118 N HN 0.302 nan 8.380 nan 0.000 0.433 119 A N 0.213 122.927 122.820 -0.177 0.000 1.930 119 A HA -0.032 4.289 4.320 0.000 0.000 0.217 119 A C 2.216 179.729 177.584 -0.118 0.000 1.175 119 A CA 0.871 52.836 52.037 -0.121 0.000 0.627 119 A CB -0.552 18.383 19.000 -0.108 0.000 0.815 119 A HN 0.373 nan 8.150 nan 0.000 0.443 120 I N -0.247 120.243 120.570 -0.135 0.000 2.202 120 I HA -0.214 3.956 4.170 0.000 0.000 0.242 120 I C 1.913 177.930 176.117 -0.167 0.000 1.091 120 I CA 1.387 62.612 61.300 -0.125 0.000 1.368 120 I CB -0.470 37.462 38.000 -0.112 0.000 1.058 120 I HN 0.231 nan 8.210 nan 0.000 0.410 121 D N 0.710 120.986 120.400 -0.207 0.000 2.092 121 D HA -0.164 4.476 4.640 0.000 0.000 0.193 121 D C 2.328 178.377 176.300 -0.418 0.000 0.994 121 D CA 1.192 54.941 54.000 -0.418 0.000 0.828 121 D CB -0.513 40.079 40.800 -0.346 0.000 0.963 121 D HN 0.075 nan 8.370 nan 0.000 0.450 122 V N 0.803 120.602 119.914 -0.193 0.000 2.380 122 V HA -0.231 3.889 4.120 0.000 0.000 0.251 122 V C 2.403 178.459 176.094 -0.063 0.000 1.063 122 V CA 1.190 63.445 62.300 -0.074 0.000 1.055 122 V CB -0.395 31.404 31.823 -0.040 0.000 0.657 122 V HN 0.148 nan 8.190 nan 0.000 0.455 123 L N -0.365 120.803 121.223 -0.092 0.000 2.027 123 L HA -0.082 4.258 4.340 0.000 0.000 0.206 123 L C 2.542 179.373 176.870 -0.065 0.000 1.074 123 L CA 2.145 56.942 54.840 -0.072 0.000 0.745 123 L CB -0.722 41.294 42.059 -0.072 0.000 0.898 123 L HN 0.254 nan 8.230 nan 0.000 0.433 124 S N -1.162 114.480 115.700 -0.097 0.000 2.359 124 S HA -0.189 4.281 4.470 0.000 0.000 0.224 124 S C 1.874 176.515 174.600 0.069 0.000 1.035 124 S CA 1.391 59.561 58.200 -0.050 0.000 1.018 124 S CB -0.525 62.616 63.200 -0.098 0.000 0.876 124 S HN 0.472 nan 8.310 nan 0.000 0.448 125 Y N 1.915 122.193 120.300 -0.037 0.000 2.333 125 Y HA -0.037 4.513 4.550 0.000 0.000 0.290 125 Y C 2.798 178.586 175.900 -0.187 0.000 1.144 125 Y CA 0.419 58.489 58.100 -0.050 0.000 1.228 125 Y CB -1.550 36.935 38.460 0.041 0.000 0.985 125 Y HN 0.231 nan 8.280 nan 0.000 0.542 126 T N -0.667 113.896 114.554 0.014 0.000 3.014 126 T HA -0.091 4.259 4.350 0.000 0.000 0.263 126 T C 1.748 176.369 174.700 -0.133 0.000 1.078 126 T CA 0.834 62.885 62.100 -0.082 0.000 1.135 126 T CB 0.003 68.838 68.868 -0.055 0.000 0.895 126 T HN 0.415 nan 8.240 nan 0.000 0.480 127 Q N 0.396 120.139 119.800 -0.096 0.000 2.269 127 Q HA 0.180 4.520 4.340 0.000 0.000 0.201 127 Q C 2.627 178.558 176.000 -0.115 0.000 0.946 127 Q CA 0.918 56.666 55.803 -0.091 0.000 0.877 127 Q CB -0.098 28.608 28.738 -0.054 0.000 0.963 127 Q HN 0.495 nan 8.270 nan 0.000 0.472 128 A N 1.298 124.023 122.820 -0.159 0.000 1.872 128 A HA -0.243 4.077 4.320 0.000 0.000 0.214 128 A C 2.014 179.315 177.584 -0.473 0.000 1.187 128 A CA 1.505 53.416 52.037 -0.210 0.000 0.614 128 A CB -0.538 18.390 19.000 -0.119 0.000 0.826 128 A HN 0.372 nan 8.150 nan 0.000 0.442 129 Q N -0.148 119.123 119.800 -0.882 0.000 2.226 129 Q HA -0.188 4.153 4.340 0.000 0.000 0.204 129 Q C 1.997 177.855 176.000 -0.237 0.000 0.975 129 Q CA 1.908 57.216 55.803 -0.825 0.000 0.866 129 Q CB -0.139 28.181 28.738 -0.696 0.000 0.915 129 Q HN 0.680 nan 8.270 nan 0.000 0.440 130 K N 0.289 120.590 120.400 -0.165 0.000 2.044 130 K HA -0.131 4.189 4.320 0.000 0.000 0.204 130 K C 1.641 178.314 176.600 0.121 0.000 1.049 130 K CA 1.356 57.626 56.287 -0.029 0.000 0.945 130 K CB 0.070 32.513 32.500 -0.096 0.000 0.724 130 K HN 0.271 nan 8.250 nan 0.000 0.440 131 E N 0.172 120.401 120.200 0.048 0.000 2.204 131 E HA -0.174 4.176 4.350 0.000 0.000 0.195 131 E C 1.756 178.452 176.600 0.161 0.000 0.990 131 E CA 0.893 57.359 56.400 0.111 0.000 0.821 131 E CB 0.006 29.738 29.700 0.053 0.000 0.750 131 E HN 0.416 nan 8.360 nan 0.000 0.477 132 A N 1.328 124.216 122.820 0.113 0.000 1.843 132 A HA -0.080 4.240 4.320 0.000 0.000 0.213 132 A C 2.069 179.739 177.584 0.143 0.000 1.202 132 A CA 0.635 52.755 52.037 0.138 0.000 0.607 132 A CB -0.480 18.634 19.000 0.190 0.000 0.847 132 A HN 0.125 nan 8.150 nan 0.000 0.445 133 I N -1.070 119.599 120.570 0.164 0.000 2.953 133 I HA -0.241 3.930 4.170 0.000 0.000 0.271 133 I C 2.134 178.370 176.117 0.198 0.000 1.286 133 I CA 1.231 62.641 61.300 0.183 0.000 1.449 133 I CB -0.279 37.866 38.000 0.241 0.000 1.086 133 I HN 0.566 nan 8.210 nan 0.000 0.483 134 Y N 1.385 121.722 120.300 0.062 0.000 2.301 134 Y HA -0.005 4.546 4.550 0.000 0.000 0.295 134 Y C 2.567 178.419 175.900 -0.081 0.000 1.126 134 Y CA 0.935 58.976 58.100 -0.099 0.000 1.154 134 Y CB -0.114 38.332 38.460 -0.023 0.000 1.075 134 Y HN -0.095 nan 8.280 nan 0.000 0.534 135 R N -0.134 120.368 120.500 0.002 0.000 2.082 135 R HA -0.200 4.140 4.340 0.000 0.000 0.234 135 R C 2.202 178.434 176.300 -0.114 0.000 1.136 135 R CA 1.770 57.829 56.100 -0.067 0.000 0.935 135 R CB -0.417 29.902 30.300 0.032 0.000 0.842 135 R HN 0.315 nan 8.270 nan 0.000 0.430 136 Q N 0.589 120.351 119.800 -0.063 0.000 2.197 136 Q HA -0.181 4.160 4.340 0.000 0.000 0.207 136 Q C 2.145 178.068 176.000 -0.129 0.000 0.984 136 Q CA 1.210 56.963 55.803 -0.083 0.000 0.869 136 Q CB -0.284 28.406 28.738 -0.080 0.000 0.906 136 Q HN 0.228 nan 8.270 nan 0.000 0.426 137 L N 1.392 122.502 121.223 -0.187 0.000 1.988 137 L HA -0.142 4.198 4.340 0.000 0.000 0.207 137 L C 2.073 178.784 176.870 -0.265 0.000 1.071 137 L CA 2.135 56.830 54.840 -0.242 0.000 0.744 137 L CB -0.837 41.002 42.059 -0.367 0.000 0.893 137 L HN 0.191 nan 8.230 nan 0.000 0.433 138 D N -1.091 119.061 120.400 -0.414 0.000 2.190 138 D HA -0.309 4.331 4.640 0.000 0.000 0.200 138 D C 1.946 178.157 176.300 -0.149 0.000 0.992 138 D CA 1.705 55.501 54.000 -0.339 0.000 0.854 138 D CB 0.108 40.642 40.800 -0.442 0.000 0.936 138 D HN 0.665 nan 8.370 nan 0.000 0.462 139 Q N -0.163 119.580 119.800 -0.097 0.000 2.062 139 Q HA -0.114 4.226 4.340 0.000 0.000 0.196 139 Q C 2.203 178.250 176.000 0.078 0.000 0.967 139 Q CA 2.194 58.000 55.803 0.006 0.000 0.832 139 Q CB -0.221 28.543 28.738 0.044 0.000 0.899 139 Q HN 0.337 nan 8.270 nan 0.000 0.442 140 T N -2.177 112.430 114.554 0.089 0.000 2.897 140 T HA -0.116 4.234 4.350 0.000 0.000 0.271 140 T C 1.667 176.451 174.700 0.140 0.000 1.084 140 T CA 1.613 63.818 62.100 0.175 0.000 1.123 140 T CB -0.534 68.396 68.868 0.102 0.000 0.865 140 T HN 0.226 nan 8.240 nan 0.000 0.496 141 T N 2.021 116.610 114.554 0.058 0.000 2.770 141 T HA -0.053 4.297 4.350 0.000 0.000 0.263 141 T C 2.161 176.949 174.700 0.148 0.000 1.039 141 T CA 1.356 63.507 62.100 0.086 0.000 1.142 141 T CB -0.286 68.578 68.868 -0.007 0.000 0.868 141 T HN 0.550 nan 8.240 nan 0.000 0.435 142 Q N 0.618 120.464 119.800 0.076 0.000 2.050 142 Q HA -0.027 4.313 4.340 0.000 0.000 0.202 142 Q C 2.656 178.691 176.000 0.059 0.000 0.980 142 Q CA 0.950 56.785 55.803 0.054 0.000 0.840 142 Q CB -0.150 28.602 28.738 0.023 0.000 0.898 142 Q HN 0.310 nan 8.270 nan 0.000 0.424 143 R N -0.020 120.526 120.500 0.077 0.000 2.159 143 R HA -0.131 4.209 4.340 0.000 0.000 0.237 143 R C 1.994 178.336 176.300 0.070 0.000 1.131 143 R CA 0.988 57.116 56.100 0.047 0.000 0.982 143 R CB -0.416 29.910 30.300 0.045 0.000 0.868 143 R HN 0.297 nan 8.270 nan 0.000 0.453 144 F N 2.015 121.965 119.950 0.001 0.000 2.416 144 F HA 0.053 4.580 4.527 0.001 0.000 0.296 144 F C 1.454 177.249 175.800 -0.008 0.000 1.099 144 F CA 0.731 58.731 58.000 -0.000 0.000 1.427 144 F CB -0.036 38.969 39.000 0.008 0.000 1.079 144 F HN -0.107 nan 8.300 nan 0.000 0.536 145 N N 0.259 118.930 118.700 -0.048 0.000 2.521 145 N HA -0.011 4.729 4.740 0.000 0.000 0.188 145 N C 0.547 175.956 175.510 -0.168 0.000 1.146 145 N CA 0.618 53.594 53.050 -0.124 0.000 0.893 145 N CB 0.443 38.936 38.487 0.011 0.000 0.975 145 N HN 0.200 nan 8.380 nan 0.000 0.451 146 V N -0.373 119.440 119.914 -0.168 0.000 2.909 146 V HA 0.269 4.389 4.120 0.000 0.000 0.362 146 V C 1.161 177.154 176.094 -0.168 0.000 1.356 146 V CA -0.166 62.052 62.300 -0.136 0.000 1.195 146 V CB 0.214 31.988 31.823 -0.081 0.000 1.256 146 V HN 0.242 nan 8.190 nan 0.000 0.567 147 G N 1.314 109.945 108.800 -0.283 0.000 2.420 147 G HA2 -0.302 3.658 3.960 0.000 0.000 0.305 147 G HA3 -0.302 3.658 3.960 0.000 0.000 0.305 147 G C 0.707 175.520 174.900 -0.144 0.000 0.971 147 G CA 1.219 46.159 45.100 -0.266 0.000 0.843 147 G HN 0.589 nan 8.290 nan 0.000 0.512 148 L N -1.040 120.117 121.223 -0.111 0.000 2.592 148 L HA 0.351 4.691 4.340 0.000 0.000 0.227 148 L C 0.823 177.664 176.870 -0.048 0.000 1.127 148 L CA 0.345 55.139 54.840 -0.077 0.000 0.884 148 L CB 0.075 42.083 42.059 -0.086 0.000 1.065 148 L HN 0.381 nan 8.230 nan 0.000 0.457 149 V N -4.599 115.326 119.914 0.018 0.000 3.000 149 V HA 0.766 4.886 4.120 0.000 0.000 0.300 149 V C -0.038 176.201 176.094 0.242 0.000 1.251 149 V CA -1.151 61.215 62.300 0.109 0.000 0.972 149 V CB 1.066 32.984 31.823 0.159 0.000 1.065 149 V HN -0.035 nan 8.190 nan 0.000 0.431 150 A N 2.641 125.585 122.820 0.207 0.000 2.387 150 A HA 0.569 4.890 4.320 0.000 0.000 0.251 150 A C 1.012 178.799 177.584 0.338 0.000 1.113 150 A CA 0.558 52.745 52.037 0.250 0.000 0.794 150 A CB -0.077 19.004 19.000 0.136 0.000 1.069 150 A HN 1.547 nan 8.150 nan 0.000 0.506 151 I N 0.005 120.719 120.570 0.239 0.000 2.546 151 I HA -0.137 4.033 4.170 0.000 0.000 0.255 151 I C 2.589 178.611 176.117 -0.159 0.000 1.163 151 I CA 2.491 63.681 61.300 -0.182 0.000 1.457 151 I CB -0.581 37.353 38.000 -0.110 0.000 1.092 151 I HN 0.822 nan 8.210 nan 0.000 0.434 152 T N -2.612 111.927 114.554 -0.024 0.000 2.803 152 T HA -0.198 4.153 4.350 0.000 0.000 0.269 152 T C 1.635 176.326 174.700 -0.016 0.000 1.052 152 T CA 1.772 63.861 62.100 -0.018 0.000 1.136 152 T CB -0.703 68.175 68.868 0.018 0.000 0.864 152 T HN 0.288 nan 8.240 nan 0.000 0.467 153 D N 0.786 121.200 120.400 0.023 0.000 2.144 153 D HA -0.010 4.631 4.640 0.000 0.000 0.199 153 D C 2.153 178.439 176.300 -0.023 0.000 0.984 153 D CA 0.727 54.756 54.000 0.050 0.000 0.834 153 D CB -0.237 40.672 40.800 0.182 0.000 0.955 153 D HN 0.357 nan 8.370 nan 0.000 0.465 154 V N 0.193 120.043 119.914 -0.106 0.000 2.535 154 V HA -0.135 3.985 4.120 0.000 0.000 0.246 154 V C 2.170 178.183 176.094 -0.135 0.000 1.045 154 V CA 1.187 63.390 62.300 -0.162 0.000 1.058 154 V CB -0.360 31.266 31.823 -0.328 0.000 0.689 154 V HN 0.181 nan 8.190 nan 0.000 0.461 155 Q N -0.119 119.603 119.800 -0.129 0.000 2.230 155 Q HA -0.153 4.188 4.340 0.000 0.000 0.202 155 Q C 2.188 178.161 176.000 -0.044 0.000 0.963 155 Q CA 1.115 56.868 55.803 -0.083 0.000 0.866 155 Q CB -0.174 28.520 28.738 -0.074 0.000 0.931 155 Q HN 0.595 nan 8.270 nan 0.000 0.452 156 N N 0.718 119.395 118.700 -0.039 0.000 2.148 156 N HA -0.077 4.663 4.740 0.000 0.000 0.186 156 N C 1.612 177.112 175.510 -0.016 0.000 1.031 156 N CA 1.338 54.375 53.050 -0.021 0.000 0.848 156 N CB -0.019 38.456 38.487 -0.020 0.000 1.005 156 N HN 0.172 nan 8.380 nan 0.000 0.427 157 A N 1.378 124.177 122.820 -0.035 0.000 2.070 157 A HA -0.055 4.265 4.320 0.000 0.000 0.220 157 A C 2.240 179.836 177.584 0.021 0.000 1.159 157 A CA 0.784 52.806 52.037 -0.025 0.000 0.656 157 A CB -0.220 18.736 19.000 -0.074 0.000 0.800 157 A HN 0.173 nan 8.150 nan 0.000 0.453 158 R N -0.429 120.073 120.500 0.003 0.000 2.062 158 R HA 0.038 4.378 4.340 0.000 0.000 0.229 158 R C 2.529 178.893 176.300 0.106 0.000 1.128 158 R CA 1.388 57.514 56.100 0.045 0.000 0.960 158 R CB -1.234 29.064 30.300 -0.004 0.000 0.855 158 R HN 0.489 nan 8.270 nan 0.000 0.432 159 A N 1.286 124.137 122.820 0.053 0.000 1.865 159 A HA -0.213 4.107 4.320 0.000 0.000 0.217 159 A C 2.085 179.705 177.584 0.059 0.000 1.191 159 A CA 1.495 53.560 52.037 0.046 0.000 0.623 159 A CB -0.598 18.413 19.000 0.019 0.000 0.826 159 A HN 0.382 nan 8.150 nan 0.000 0.444 160 Q N -2.439 117.397 119.800 0.060 0.000 2.364 160 Q HA -0.173 4.167 4.340 0.000 0.000 0.209 160 Q C 1.793 177.847 176.000 0.090 0.000 0.977 160 Q CA 1.411 57.247 55.803 0.056 0.000 0.885 160 Q CB -0.205 28.559 28.738 0.045 0.000 0.941 160 Q HN 0.859 nan 8.270 nan 0.000 0.464 161 Y N 1.449 121.751 120.300 0.003 0.000 2.206 161 Y HA -0.162 4.389 4.550 0.000 0.000 0.292 161 Y C 1.598 177.503 175.900 0.009 0.000 1.123 161 Y CA 1.423 59.534 58.100 0.018 0.000 1.142 161 Y CB 0.055 38.541 38.460 0.043 0.000 1.006 161 Y HN 0.044 nan 8.280 nan 0.000 0.518 162 D N -0.719 119.712 120.400 0.052 0.000 2.123 162 D HA -0.181 4.459 4.640 0.000 0.000 0.196 162 D C 2.132 178.373 176.300 -0.099 0.000 0.992 162 D CA 1.944 55.921 54.000 -0.039 0.000 0.833 162 D CB -0.578 40.242 40.800 0.033 0.000 0.954 162 D HN 0.326 nan 8.370 nan 0.000 0.455 163 T N 0.128 114.647 114.554 -0.058 0.000 2.708 163 T HA -0.102 4.249 4.350 0.000 0.000 0.266 163 T C 2.110 176.753 174.700 -0.095 0.000 1.037 163 T CA 0.720 62.785 62.100 -0.057 0.000 1.146 163 T CB -0.247 68.606 68.868 -0.025 0.000 0.865 163 T HN -0.050 nan 8.240 nan 0.000 0.435 164 V N 1.498 121.332 119.914 -0.133 0.000 2.594 164 V HA -0.106 4.014 4.120 0.000 0.000 0.253 164 V C 2.376 178.348 176.094 -0.204 0.000 1.069 164 V CA 1.306 63.512 62.300 -0.157 0.000 1.082 164 V CB -0.581 31.137 31.823 -0.174 0.000 0.680 164 V HN 0.464 nan 8.190 nan 0.000 0.469 165 L N -0.013 121.045 121.223 -0.276 0.000 2.056 165 L HA -0.120 4.220 4.340 0.000 0.000 0.207 165 L C 2.731 179.515 176.870 -0.142 0.000 1.078 165 L CA 1.531 56.224 54.840 -0.245 0.000 0.749 165 L CB -0.834 41.059 42.059 -0.277 0.000 0.901 165 L HN 0.353 nan 8.230 nan 0.000 0.433 166 A N 0.211 122.965 122.820 -0.111 0.000 2.024 166 A HA -0.203 4.117 4.320 0.000 0.000 0.220 166 A C 1.985 179.530 177.584 -0.066 0.000 1.164 166 A CA 1.875 53.868 52.037 -0.073 0.000 0.643 166 A CB -0.465 18.502 19.000 -0.055 0.000 0.806 166 A HN 0.462 nan 8.150 nan 0.000 0.451 167 N N -0.431 118.224 118.700 -0.076 0.000 2.197 167 N HA -0.095 4.645 4.740 0.000 0.000 0.184 167 N C 1.678 177.148 175.510 -0.067 0.000 1.030 167 N CA 1.183 54.195 53.050 -0.062 0.000 0.851 167 N CB -0.640 37.812 38.487 -0.058 0.000 1.003 167 N HN 0.659 nan 8.380 nan 0.000 0.430 168 E N 1.329 121.476 120.200 -0.089 0.000 2.233 168 E HA -0.204 4.146 4.350 0.000 0.000 0.199 168 E C 1.921 178.477 176.600 -0.073 0.000 1.004 168 E CA 0.614 56.962 56.400 -0.087 0.000 0.819 168 E CB -0.098 29.534 29.700 -0.114 0.000 0.738 168 E HN 0.313 nan 8.360 nan 0.000 0.478 169 L N 0.667 121.847 121.223 -0.071 0.000 1.976 169 L HA -0.186 4.154 4.340 0.000 0.000 0.209 169 L C 2.833 179.675 176.870 -0.047 0.000 1.071 169 L CA 2.435 57.241 54.840 -0.058 0.000 0.746 169 L CB -0.751 41.276 42.059 -0.055 0.000 0.890 169 L HN 0.252 nan 8.230 nan 0.000 0.432 170 T N -2.362 112.166 114.554 -0.043 0.000 2.857 170 T HA -0.033 4.317 4.350 0.000 0.000 0.266 170 T C 1.939 176.617 174.700 -0.036 0.000 1.048 170 T CA 0.833 62.912 62.100 -0.035 0.000 1.139 170 T CB -0.633 68.217 68.868 -0.030 0.000 0.874 170 T HN 0.441 nan 8.240 nan 0.000 0.455 171 A N 1.663 124.459 122.820 -0.040 0.000 2.032 171 A HA -0.076 4.245 4.320 0.000 0.000 0.221 171 A C 2.455 180.012 177.584 -0.045 0.000 1.165 171 A CA 1.894 53.907 52.037 -0.041 0.000 0.645 171 A CB -0.786 18.188 19.000 -0.044 0.000 0.807 171 A HN 0.633 nan 8.150 nan 0.000 0.453 172 R N -0.584 119.889 120.500 -0.045 0.000 2.173 172 R HA -0.026 4.315 4.340 0.000 0.000 0.208 172 R C 1.923 178.202 176.300 -0.036 0.000 1.035 172 R CA 1.194 57.268 56.100 -0.043 0.000 1.004 172 R CB -0.293 29.980 30.300 -0.045 0.000 0.917 172 R HN 0.544 nan 8.270 nan 0.000 0.462 173 N N 0.275 118.955 118.700 -0.033 0.000 2.270 173 N HA -0.093 4.647 4.740 0.000 0.000 0.181 173 N C 0.960 176.456 175.510 -0.024 0.000 1.016 173 N CA 1.694 54.728 53.050 -0.026 0.000 0.870 173 N CB -0.046 38.426 38.487 -0.024 0.000 0.979 173 N HN 0.364 nan 8.380 nan 0.000 0.431 174 N N -0.460 118.223 118.700 -0.028 0.000 2.216 174 N HA -0.099 4.641 4.740 0.000 0.000 0.183 174 N C 1.463 176.952 175.510 -0.034 0.000 1.017 174 N CA 0.589 53.621 53.050 -0.029 0.000 0.861 174 N CB -0.043 38.425 38.487 -0.032 0.000 0.986 174 N HN 0.176 nan 8.380 nan 0.000 0.428 175 L N 1.530 122.729 121.223 -0.041 0.000 2.131 175 L HA -0.129 4.211 4.340 0.000 0.000 0.210 175 L C 1.326 178.179 176.870 -0.028 0.000 1.092 175 L CA 1.783 56.596 54.840 -0.046 0.000 0.759 175 L CB -0.379 41.650 42.059 -0.051 0.000 0.903 175 L HN 0.022 nan 8.230 nan 0.000 0.435 176 D N -0.163 120.225 120.400 -0.019 0.000 2.075 176 D HA -0.142 4.498 4.640 0.000 0.000 0.196 176 D C 1.798 178.107 176.300 0.014 0.000 0.985 176 D CA 1.329 55.328 54.000 -0.001 0.000 0.834 176 D CB -0.354 40.441 40.800 -0.008 0.000 0.987 176 D HN 0.336 nan 8.370 nan 0.000 0.452 177 N N 0.586 119.288 118.700 0.004 0.000 2.519 177 N HA -0.085 4.656 4.740 0.000 0.000 0.186 177 N C 1.372 176.884 175.510 0.003 0.000 1.062 177 N CA 0.695 53.750 53.050 0.009 0.000 0.910 177 N CB -0.092 38.395 38.487 0.000 0.000 0.958 177 N HN 0.127 nan 8.380 nan 0.000 0.445 178 A N -0.145 122.669 122.820 -0.010 0.000 2.072 178 A HA 0.069 4.389 4.320 0.000 0.000 0.216 178 A C 2.274 179.847 177.584 -0.019 0.000 1.156 178 A CA 0.472 52.493 52.037 -0.027 0.000 0.701 178 A CB -0.038 18.930 19.000 -0.053 0.000 0.816 178 A HN 0.100 nan 8.150 nan 0.000 0.458 179 V N -0.064 119.857 119.914 0.013 0.000 2.649 179 V HA -0.083 4.037 4.120 0.000 0.000 0.248 179 V C 2.305 178.451 176.094 0.086 0.000 1.054 179 V CA 1.480 63.814 62.300 0.056 0.000 1.073 179 V CB -0.386 31.502 31.823 0.107 0.000 0.699 179 V HN 0.437 nan 8.190 nan 0.000 0.463 180 E N -0.028 120.225 120.200 0.088 0.000 2.153 180 E HA -0.182 4.168 4.350 0.000 0.000 0.194 180 E C 2.319 178.927 176.600 0.012 0.000 0.988 180 E CA 0.862 57.312 56.400 0.084 0.000 0.811 180 E CB -0.172 29.575 29.700 0.079 0.000 0.746 180 E HN 0.547 nan 8.360 nan 0.000 0.466 181 Q N 0.381 120.182 119.800 0.003 0.000 1.993 181 Q HA -0.130 4.211 4.340 0.000 0.000 0.202 181 Q C 2.405 178.389 176.000 -0.027 0.000 0.984 181 Q CA 0.731 56.525 55.803 -0.014 0.000 0.837 181 Q CB -0.813 27.915 28.738 -0.017 0.000 0.902 181 Q HN 0.221 nan 8.270 nan 0.000 0.423 182 L N 1.283 122.488 121.223 -0.030 0.000 2.012 182 L HA -0.224 4.116 4.340 0.000 0.000 0.210 182 L C 2.552 179.400 176.870 -0.037 0.000 1.073 182 L CA 1.898 56.717 54.840 -0.034 0.000 0.748 182 L CB -0.592 41.438 42.059 -0.049 0.000 0.891 182 L HN 0.135 nan 8.230 nan 0.000 0.431 183 R N -0.045 120.397 120.500 -0.096 0.000 2.094 183 R HA -0.264 4.076 4.340 0.000 0.000 0.239 183 R C 2.323 178.517 176.300 -0.176 0.000 1.137 183 R CA 2.394 58.330 56.100 -0.273 0.000 0.943 183 R CB -1.062 28.881 30.300 -0.596 0.000 0.850 183 R HN 0.649 nan 8.270 nan 0.000 0.433 184 Q N -0.353 119.382 119.800 -0.108 0.000 2.096 184 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 184 Q C 2.128 178.099 176.000 -0.048 0.000 0.982 184 Q CA 2.331 58.094 55.803 -0.066 0.000 0.850 184 Q CB -0.155 28.561 28.738 -0.036 0.000 0.901 184 Q HN 0.572 nan 8.270 nan 0.000 0.422 185 I N 0.185 120.734 120.570 -0.036 0.000 2.233 185 I HA -0.206 3.965 4.170 0.000 0.000 0.243 185 I C 2.514 178.619 176.117 -0.021 0.000 1.093 185 I CA 1.635 62.922 61.300 -0.022 0.000 1.380 185 I CB -0.354 37.638 38.000 -0.013 0.000 1.067 185 I HN 0.421 nan 8.210 nan 0.000 0.413 186 T N -2.550 111.999 114.554 -0.009 0.000 3.035 186 T HA 0.222 4.572 4.350 0.000 0.000 0.259 186 T C 1.655 176.349 174.700 -0.010 0.000 1.078 186 T CA 0.700 62.812 62.100 0.019 0.000 1.132 186 T CB 0.521 69.468 68.868 0.132 0.000 0.900 186 T HN 0.514 nan 8.240 nan 0.000 0.480 187 G N 1.343 110.107 108.800 -0.060 0.000 2.175 187 G HA2 -0.207 3.753 3.960 0.000 0.000 0.244 187 G HA3 -0.207 3.753 3.960 0.000 0.000 0.244 187 G C -0.020 174.778 174.900 -0.169 0.000 0.982 187 G CA 0.044 45.082 45.100 -0.104 0.000 0.641 187 G HN 0.655 nan 8.290 nan 0.000 0.527 188 N N -0.864 117.735 118.700 -0.167 0.000 2.531 188 N HA 0.719 5.459 4.740 0.000 0.000 0.290 188 N C -1.341 173.930 175.510 -0.399 0.000 1.257 188 N CA -0.382 52.492 53.050 -0.294 0.000 0.863 188 N CB 1.088 39.322 38.487 -0.421 0.000 1.320 188 N HN 0.057 nan 8.380 nan 0.000 0.538 189 Y N 0.130 120.288 120.300 -0.236 0.000 2.409 189 Y HA 0.417 4.967 4.550 0.000 0.000 0.343 189 Y C -0.783 174.951 175.900 -0.277 0.000 0.973 189 Y CA -0.524 57.523 58.100 -0.089 0.000 1.064 189 Y CB 1.122 39.542 38.460 -0.066 0.000 1.207 189 Y HN 0.339 nan 8.280 nan 0.000 0.452 190 Y N 3.542 123.928 120.300 0.144 0.000 2.364 190 Y HA 0.374 4.924 4.550 0.000 0.000 0.340 190 Y C -1.813 174.119 175.900 0.054 0.000 0.975 190 Y CA -2.701 55.444 58.100 0.075 0.000 1.089 190 Y CB 1.426 39.910 38.460 0.039 0.000 1.192 190 Y HN 0.438 nan 8.280 nan 0.000 0.454 191 P HA -0.062 nan 4.420 nan 0.000 0.220 191 P C -0.826 176.525 177.300 0.085 0.000 1.152 191 P CA 1.090 64.239 63.100 0.080 0.000 0.812 191 P CB 0.496 32.225 31.700 0.048 0.000 0.792 192 E N -1.903 118.369 120.200 0.121 0.000 2.390 192 E HA 0.531 4.882 4.350 0.000 0.000 0.280 192 E C -1.392 175.268 176.600 0.101 0.000 0.992 192 E CA -0.860 55.590 56.400 0.084 0.000 0.790 192 E CB 0.906 30.644 29.700 0.064 0.000 1.248 192 E HN -0.172 nan 8.360 nan 0.000 0.447 193 L N 0.475 121.715 121.223 0.028 0.000 2.309 193 L HA 0.773 5.113 4.340 0.000 0.000 0.261 193 L C -0.380 176.543 176.870 0.089 0.000 1.021 193 L CA -1.534 53.319 54.840 0.021 0.000 0.823 193 L CB 2.045 43.926 42.059 -0.296 0.000 1.366 193 L HN 0.803 nan 8.230 nan 0.000 0.423 194 A N 1.355 124.306 122.820 0.219 0.000 2.376 194 A HA 0.629 4.949 4.320 0.000 0.000 0.298 194 A C 0.356 178.088 177.584 0.247 0.000 1.271 194 A CA -0.224 51.940 52.037 0.213 0.000 0.926 194 A CB -0.091 19.040 19.000 0.217 0.000 1.141 194 A HN 0.717 nan 8.150 nan 0.000 0.539 195 A N 2.570 125.489 122.820 0.165 0.000 2.425 195 A HA 0.471 4.791 4.320 0.000 0.000 0.242 195 A C 0.354 178.067 177.584 0.215 0.000 1.077 195 A CA -0.449 51.694 52.037 0.176 0.000 0.781 195 A CB 0.032 19.094 19.000 0.104 0.000 1.020 195 A HN 1.427 nan 8.150 nan 0.000 0.494 196 L N 1.733 123.105 121.223 0.248 0.000 2.513 196 L HA 0.024 4.365 4.340 0.000 0.000 0.272 196 L C 0.568 177.509 176.870 0.119 0.000 1.187 196 L CA 0.347 55.304 54.840 0.195 0.000 0.895 196 L CB -0.164 41.938 42.059 0.072 0.000 1.147 196 L HN 0.729 nan 8.230 nan 0.000 0.483 197 N N 4.350 123.137 118.700 0.145 0.000 2.555 197 N HA 0.025 4.766 4.740 0.000 0.000 0.244 197 N C 1.071 176.653 175.510 0.121 0.000 1.114 197 N CA 0.104 53.224 53.050 0.116 0.000 0.963 197 N CB 0.758 39.314 38.487 0.116 0.000 1.276 197 N HN 0.662 nan 8.380 nan 0.000 0.510 198 V N 1.755 121.702 119.914 0.056 0.000 2.688 198 V HA -0.216 3.905 4.120 0.000 0.000 0.256 198 V C 1.463 177.603 176.094 0.077 0.000 1.084 198 V CA 1.477 63.790 62.300 0.021 0.000 1.103 198 V CB -0.579 31.227 31.823 -0.029 0.000 0.688 198 V HN 0.422 nan 8.190 nan 0.000 0.480 199 E N 1.496 121.742 120.200 0.076 0.000 2.033 199 E HA -0.043 4.307 4.350 0.000 0.000 0.189 199 E C 1.878 178.526 176.600 0.080 0.000 0.979 199 E CA 1.403 57.842 56.400 0.066 0.000 0.802 199 E CB -0.562 29.167 29.700 0.049 0.000 0.763 199 E HN 0.754 nan 8.360 nan 0.000 0.449 200 N N -0.111 118.642 118.700 0.088 0.000 2.501 200 N HA 0.016 4.756 4.740 0.000 0.000 0.195 200 N C -0.569 174.984 175.510 0.072 0.000 1.213 200 N CA -0.331 52.758 53.050 0.066 0.000 0.864 200 N CB 0.032 38.552 38.487 0.055 0.000 0.999 200 N HN 0.025 nan 8.380 nan 0.000 0.454 201 F N 2.348 122.284 119.950 -0.024 0.000 2.456 201 F HA 0.217 4.744 4.527 0.000 0.000 0.358 201 F C 0.015 175.776 175.800 -0.065 0.000 1.095 201 F CA 0.083 58.056 58.000 -0.044 0.000 1.216 201 F CB 0.486 39.442 39.000 -0.073 0.000 1.125 201 F HN -0.252 nan 8.300 nan 0.000 0.549 202 K N 3.503 123.513 120.400 -0.650 0.000 2.543 202 K HA 0.279 4.600 4.320 0.000 0.000 0.255 202 K C -0.760 175.466 176.600 -0.623 0.000 0.934 202 K CA -0.937 55.101 56.287 -0.415 0.000 0.810 202 K CB 2.003 34.374 32.500 -0.215 0.000 1.315 202 K HN 0.661 nan 8.250 nan 0.000 0.433 203 T N -1.570 112.688 114.554 -0.494 0.000 2.847 203 T HA 0.396 4.747 4.350 0.000 0.000 0.279 203 T C -0.381 174.216 174.700 -0.173 0.000 0.984 203 T CA -0.607 61.130 62.100 -0.606 0.000 0.988 203 T CB 0.922 69.365 68.868 -0.709 0.000 1.040 203 T HN 0.358 nan 8.240 nan 0.000 0.528 204 D N 0.838 121.286 120.400 0.080 0.000 2.602 204 D HA 0.195 4.836 4.640 0.000 0.000 0.245 204 D C -0.491 175.886 176.300 0.128 0.000 1.325 204 D CA -0.586 53.466 54.000 0.086 0.000 0.952 204 D CB 1.877 42.726 40.800 0.082 0.000 1.317 204 D HN 0.671 nan 8.370 nan 0.000 0.577 205 K N 3.472 123.916 120.400 0.074 0.000 2.511 205 K HA -0.006 4.314 4.320 0.000 0.000 0.277 205 K C -2.092 174.572 176.600 0.108 0.000 1.025 205 K CA -0.465 55.871 56.287 0.082 0.000 1.112 205 K CB 0.423 32.958 32.500 0.058 0.000 0.859 205 K HN 0.155 nan 8.250 nan 0.000 0.485 206 P HA 0.036 nan 4.420 nan 0.000 0.276 206 P C -0.782 176.634 177.300 0.194 0.000 1.244 206 P CA -0.400 62.800 63.100 0.166 0.000 0.801 206 P CB 0.724 32.551 31.700 0.212 0.000 1.006 207 Q N 0.885 120.758 119.800 0.121 0.000 2.450 207 Q HA 0.065 4.406 4.340 0.000 0.000 0.294 207 Q C -1.947 174.082 176.000 0.049 0.000 1.129 207 Q CA -0.803 55.039 55.803 0.064 0.000 0.970 207 Q CB -1.365 27.382 28.738 0.015 0.000 1.294 207 Q HN 0.402 nan 8.270 nan 0.000 0.453 208 P HA -0.051 nan 4.420 nan 0.000 0.267 208 P C 0.899 177.948 177.300 -0.417 0.000 1.200 208 P CA -0.009 63.003 63.100 -0.147 0.000 0.772 208 P CB 0.515 32.161 31.700 -0.091 0.000 0.855 209 V N 2.838 122.175 119.914 -0.962 0.000 2.392 209 V HA -0.305 3.815 4.120 0.000 0.000 0.249 209 V C 1.892 177.735 176.094 -0.419 0.000 1.059 209 V CA 2.295 63.993 62.300 -1.004 0.000 1.051 209 V CB -1.036 30.043 31.823 -1.241 0.000 0.658 209 V HN 0.543 nan 8.190 nan 0.000 0.455 210 N N -0.123 118.399 118.700 -0.296 0.000 2.104 210 N HA -0.131 4.609 4.740 0.000 0.000 0.190 210 N C 1.795 177.234 175.510 -0.118 0.000 1.024 210 N CA 1.728 54.681 53.050 -0.161 0.000 0.853 210 N CB -0.408 38.012 38.487 -0.111 0.000 1.008 210 N HN 0.562 nan 8.380 nan 0.000 0.424 211 A N 0.361 123.112 122.820 -0.115 0.000 1.898 211 A HA -0.049 4.272 4.320 0.000 0.000 0.216 211 A C 2.167 179.707 177.584 -0.075 0.000 1.181 211 A CA 0.857 52.850 52.037 -0.074 0.000 0.620 211 A CB -0.725 18.241 19.000 -0.058 0.000 0.819 211 A HN 0.246 nan 8.150 nan 0.000 0.442 212 L N -0.882 120.279 121.223 -0.103 0.000 1.989 212 L HA -0.222 4.118 4.340 0.000 0.000 0.211 212 L C 2.664 179.489 176.870 -0.075 0.000 1.071 212 L CA 1.606 56.397 54.840 -0.082 0.000 0.749 212 L CB -0.597 41.403 42.059 -0.099 0.000 0.890 212 L HN 0.437 nan 8.230 nan 0.000 0.431 213 L N -0.209 120.955 121.223 -0.099 0.000 2.042 213 L HA -0.277 4.063 4.340 0.000 0.000 0.210 213 L C 2.700 179.538 176.870 -0.054 0.000 1.076 213 L CA 1.612 56.402 54.840 -0.083 0.000 0.749 213 L CB -0.183 41.821 42.059 -0.091 0.000 0.893 213 L HN 0.223 nan 8.230 nan 0.000 0.432 214 K N -0.756 119.618 120.400 -0.044 0.000 2.148 214 K HA -0.235 4.086 4.320 0.000 0.000 0.204 214 K C 1.927 178.519 176.600 -0.015 0.000 1.050 214 K CA 1.511 57.786 56.287 -0.020 0.000 0.942 214 K CB 0.000 32.489 32.500 -0.019 0.000 0.724 214 K HN 0.385 nan 8.250 nan 0.000 0.446 215 E N 0.779 120.965 120.200 -0.023 0.000 2.076 215 E HA -0.101 4.250 4.350 0.000 0.000 0.190 215 E C 1.919 178.510 176.600 -0.015 0.000 0.979 215 E CA 0.819 57.210 56.400 -0.016 0.000 0.807 215 E CB -0.015 29.675 29.700 -0.018 0.000 0.761 215 E HN 0.251 nan 8.360 nan 0.000 0.454 216 A N 1.078 123.882 122.820 -0.026 0.000 1.978 216 A HA -0.246 4.075 4.320 0.000 0.000 0.220 216 A C 1.976 179.546 177.584 -0.024 0.000 1.170 216 A CA 1.744 53.763 52.037 -0.030 0.000 0.636 216 A CB -0.624 18.348 19.000 -0.046 0.000 0.810 216 A HN 0.407 nan 8.150 nan 0.000 0.448 217 E N -0.806 119.383 120.200 -0.018 0.000 2.472 217 E HA -0.077 4.273 4.350 0.000 0.000 0.200 217 E C 0.675 177.297 176.600 0.036 0.000 1.046 217 E CA 0.805 57.215 56.400 0.017 0.000 0.871 217 E CB 0.025 29.753 29.700 0.046 0.000 0.806 217 E HN 0.601 nan 8.360 nan 0.000 0.533 218 K N -0.975 119.436 120.400 0.018 0.000 2.589 218 K HA 0.247 4.568 4.320 0.000 0.000 0.198 218 K C 0.475 177.083 176.600 0.013 0.000 1.114 218 K CA -0.149 56.150 56.287 0.020 0.000 1.070 218 K CB 1.015 33.525 32.500 0.016 0.000 0.860 218 K HN -0.149 nan 8.250 nan 0.000 0.536 219 R N -0.419 120.085 120.500 0.008 0.000 2.658 219 R HA 0.051 4.391 4.340 0.000 0.000 0.223 219 R C -0.084 176.217 176.300 0.002 0.000 0.985 219 R CA -0.213 55.890 56.100 0.005 0.000 1.290 219 R CB -0.271 30.029 30.300 -0.001 0.000 1.723 219 R HN 0.062 nan 8.270 nan 0.000 0.527 220 N N 2.890 121.589 118.700 -0.003 0.000 2.386 220 N HA -0.053 4.688 4.740 0.000 0.000 0.273 220 N C 1.290 176.801 175.510 0.002 0.000 1.331 220 N CA 0.196 53.241 53.050 -0.008 0.000 0.891 220 N CB 0.357 38.833 38.487 -0.018 0.000 1.139 220 N HN 0.121 nan 8.380 nan 0.000 0.487 221 L N 2.059 123.282 121.223 0.001 0.000 2.129 221 L HA -0.229 4.112 4.340 0.000 0.000 0.212 221 L C 1.993 178.870 176.870 0.012 0.000 1.087 221 L CA 1.040 55.885 54.840 0.008 0.000 0.757 221 L CB -0.373 41.688 42.059 0.003 0.000 0.896 221 L HN 0.559 nan 8.230 nan 0.000 0.434 222 S N -0.154 115.549 115.700 0.006 0.000 2.371 222 S HA -0.123 4.347 4.470 0.000 0.000 0.224 222 S C 1.805 176.413 174.600 0.014 0.000 1.029 222 S CA 0.800 59.005 58.200 0.008 0.000 0.978 222 S CB -0.227 62.973 63.200 0.000 0.000 0.833 222 S HN 0.233 nan 8.310 nan 0.000 0.466 223 L N 1.748 122.979 121.223 0.014 0.000 2.141 223 L HA 0.051 4.392 4.340 0.000 0.000 0.209 223 L C 1.979 178.869 176.870 0.033 0.000 1.094 223 L CA 1.162 56.019 54.840 0.029 0.000 0.763 223 L CB -0.687 41.392 42.059 0.034 0.000 0.908 223 L HN 0.261 nan 8.230 nan 0.000 0.437 224 L N -0.636 120.604 121.223 0.028 0.000 2.017 224 L HA -0.243 4.097 4.340 0.000 0.000 0.208 224 L C 2.450 179.339 176.870 0.032 0.000 1.073 224 L CA 1.860 56.719 54.840 0.032 0.000 0.745 224 L CB -0.758 41.319 42.059 0.031 0.000 0.894 224 L HN 0.397 nan 8.230 nan 0.000 0.432 225 Q N -0.823 118.995 119.800 0.030 0.000 2.124 225 Q HA -0.167 4.174 4.340 0.000 0.000 0.202 225 Q C 2.221 178.234 176.000 0.023 0.000 0.977 225 Q CA 1.506 57.326 55.803 0.029 0.000 0.850 225 Q CB -0.315 28.440 28.738 0.028 0.000 0.901 225 Q HN 0.718 nan 8.270 nan 0.000 0.429 226 A N 1.102 123.934 122.820 0.019 0.000 1.978 226 A HA -0.231 4.089 4.320 0.000 0.000 0.220 226 A C 1.932 179.521 177.584 0.009 0.000 1.170 226 A CA 1.359 53.402 52.037 0.010 0.000 0.636 226 A CB -0.330 18.678 19.000 0.013 0.000 0.810 226 A HN 0.244 nan 8.150 nan 0.000 0.448 227 R N -0.597 119.916 120.500 0.022 0.000 2.055 227 R HA 0.058 4.398 4.340 0.000 0.000 0.228 227 R C 2.100 178.421 176.300 0.034 0.000 1.143 227 R CA 1.302 57.419 56.100 0.027 0.000 0.945 227 R CB -0.564 29.756 30.300 0.034 0.000 0.841 227 R HN 0.452 nan 8.270 nan 0.000 0.429 228 L N 0.589 121.833 121.223 0.035 0.000 2.013 228 L HA -0.228 4.112 4.340 0.000 0.000 0.212 228 L C 2.341 179.233 176.870 0.037 0.000 1.073 228 L CA 1.467 56.329 54.840 0.037 0.000 0.753 228 L CB -0.552 41.528 42.059 0.035 0.000 0.890 228 L HN 0.224 nan 8.230 nan 0.000 0.432 229 S N -1.046 114.671 115.700 0.028 0.000 2.423 229 S HA -0.229 4.241 4.470 0.000 0.000 0.231 229 S C 1.858 176.477 174.600 0.031 0.000 1.014 229 S CA 1.104 59.318 58.200 0.025 0.000 0.965 229 S CB -0.148 63.059 63.200 0.012 0.000 0.785 229 S HN 0.447 nan 8.310 nan 0.000 0.495 230 Q N 0.985 120.798 119.800 0.022 0.000 2.137 230 Q HA -0.160 4.180 4.340 0.000 0.000 0.198 230 Q C 1.749 177.847 176.000 0.164 0.000 0.960 230 Q CA 1.505 57.314 55.803 0.010 0.000 0.847 230 Q CB -0.144 28.565 28.738 -0.048 0.000 0.915 230 Q HN 0.589 nan 8.270 nan 0.000 0.448 231 D N 0.067 120.545 120.400 0.131 0.000 2.084 231 D HA -0.218 4.422 4.640 0.000 0.000 0.194 231 D C 1.969 178.345 176.300 0.127 0.000 0.990 231 D CA 1.162 55.246 54.000 0.140 0.000 0.826 231 D CB -0.169 40.681 40.800 0.082 0.000 0.971 231 D HN 0.272 nan 8.370 nan 0.000 0.453 232 L N 0.423 121.699 121.223 0.089 0.000 2.129 232 L HA -0.066 4.274 4.340 0.000 0.000 0.212 232 L C 2.138 179.068 176.870 0.100 0.000 1.087 232 L CA 2.026 56.908 54.840 0.069 0.000 0.757 232 L CB -0.898 41.186 42.059 0.042 0.000 0.896 232 L HN 0.181 nan 8.230 nan 0.000 0.434 233 A N -0.668 122.250 122.820 0.164 0.000 1.930 233 A HA -0.225 4.096 4.320 0.000 0.000 0.217 233 A C 2.531 180.286 177.584 0.284 0.000 1.175 233 A CA 1.665 53.846 52.037 0.240 0.000 0.627 233 A CB -0.576 18.598 19.000 0.290 0.000 0.815 233 A HN 0.512 nan 8.150 nan 0.000 0.443 234 R N -0.533 120.136 120.500 0.281 0.000 2.066 234 R HA -0.158 4.182 4.340 0.000 0.000 0.232 234 R C 2.106 178.383 176.300 -0.039 0.000 1.131 234 R CA 1.687 57.761 56.100 -0.044 0.000 0.955 234 R CB -0.253 29.991 30.300 -0.095 0.000 0.851 234 R HN 0.426 nan 8.270 nan 0.000 0.432 235 E N 0.895 121.105 120.200 0.016 0.000 2.118 235 E HA -0.219 4.131 4.350 0.000 0.000 0.195 235 E C 1.789 178.388 176.600 -0.001 0.000 0.992 235 E CA 1.736 58.138 56.400 0.003 0.000 0.804 235 E CB 0.009 29.719 29.700 0.017 0.000 0.741 235 E HN 0.479 nan 8.360 nan 0.000 0.458 236 Q N -0.574 119.236 119.800 0.017 0.000 2.297 236 Q HA -0.009 4.331 4.340 0.000 0.000 0.204 236 Q C 2.181 178.177 176.000 -0.006 0.000 0.962 236 Q CA 0.863 56.672 55.803 0.011 0.000 0.879 236 Q CB 0.050 28.807 28.738 0.031 0.000 0.947 236 Q HN 0.398 nan 8.270 nan 0.000 0.462 237 I N 0.453 121.010 120.570 -0.022 0.000 2.202 237 I HA -0.267 3.903 4.170 0.000 0.000 0.242 237 I C 2.242 178.328 176.117 -0.052 0.000 1.091 237 I CA 1.169 62.437 61.300 -0.052 0.000 1.368 237 I CB -0.219 37.707 38.000 -0.123 0.000 1.058 237 I HN 0.160 nan 8.210 nan 0.000 0.410 238 R N 0.499 120.967 120.500 -0.052 0.000 2.083 238 R HA -0.263 4.077 4.340 0.000 0.000 0.237 238 R C 2.319 178.602 176.300 -0.028 0.000 1.137 238 R CA 1.817 57.895 56.100 -0.036 0.000 0.951 238 R CB -0.557 29.725 30.300 -0.030 0.000 0.851 238 R HN 0.437 nan 8.270 nan 0.000 0.434 239 Q N 0.568 120.353 119.800 -0.026 0.000 2.096 239 Q HA -0.252 4.088 4.340 0.000 0.000 0.208 239 Q C 2.065 178.036 176.000 -0.048 0.000 0.993 239 Q CA 2.079 57.865 55.803 -0.029 0.000 0.862 239 Q CB -0.177 28.547 28.738 -0.023 0.000 0.915 239 Q HN 0.426 nan 8.270 nan 0.000 0.416 240 A N 0.614 123.403 122.820 -0.052 0.000 1.883 240 A HA -0.269 4.051 4.320 0.000 0.000 0.217 240 A C 1.935 179.445 177.584 -0.123 0.000 1.186 240 A CA 1.857 53.847 52.037 -0.078 0.000 0.624 240 A CB -0.675 18.288 19.000 -0.061 0.000 0.822 240 A HN 0.616 nan 8.150 nan 0.000 0.444 241 Q N -0.474 119.277 119.800 -0.082 0.000 2.226 241 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 241 Q C 1.013 176.977 176.000 -0.060 0.000 0.975 241 Q CA 1.165 56.931 55.803 -0.060 0.000 0.866 241 Q CB -0.241 28.514 28.738 0.029 0.000 0.915 241 Q HN 0.579 nan 8.270 nan 0.000 0.440 242 D N 0.189 120.560 120.400 -0.049 0.000 2.351 242 D HA -0.094 4.546 4.640 0.000 0.000 0.216 242 D C 1.713 177.978 176.300 -0.058 0.000 0.968 242 D CA 1.020 55.007 54.000 -0.023 0.000 0.899 242 D CB -0.448 40.336 40.800 -0.028 0.000 0.907 242 D HN 0.398 nan 8.370 nan 0.000 0.514 243 G N -0.742 107.962 108.800 -0.160 0.000 2.625 243 G HA2 -0.214 3.746 3.960 0.000 0.000 0.214 243 G HA3 -0.214 3.746 3.960 0.000 0.000 0.214 243 G C 1.138 175.936 174.900 -0.170 0.000 1.132 243 G CA 0.438 45.420 45.100 -0.195 0.000 0.782 243 G HN 0.428 nan 8.290 nan 0.000 0.538 244 H N -1.045 118.026 119.070 0.003 0.000 2.553 244 H HA 0.315 4.872 4.556 0.000 0.000 0.276 244 H C 0.922 176.265 175.328 0.026 0.000 0.979 244 H CA -0.613 55.443 56.048 0.014 0.000 1.268 244 H CB 0.380 30.155 29.762 0.021 0.000 1.450 244 H HN 0.161 nan 8.280 nan 0.000 0.527 245 L N 3.305 124.617 121.223 0.149 0.000 2.452 245 L HA 0.166 4.506 4.340 0.000 0.000 0.267 245 L C -1.913 175.010 176.870 0.089 0.000 1.188 245 L CA -1.881 53.044 54.840 0.143 0.000 0.821 245 L CB 0.223 42.393 42.059 0.186 0.000 1.102 245 L HN 0.068 nan 8.230 nan 0.000 0.470 246 P HA 0.291 nan 4.420 nan 0.000 0.283 246 P C -1.116 176.200 177.300 0.026 0.000 1.271 246 P CA -0.408 62.629 63.100 -0.106 0.000 0.841 246 P CB 1.658 33.184 31.700 -0.290 0.000 1.122 247 T N -1.463 113.015 114.554 -0.126 0.000 2.893 247 T HA 0.615 4.965 4.350 0.000 0.000 0.291 247 T C -0.844 173.868 174.700 0.021 0.000 1.028 247 T CA -0.814 61.310 62.100 0.040 0.000 0.995 247 T CB 1.256 70.110 68.868 -0.023 0.000 1.051 247 T HN 0.300 nan 8.240 nan 0.000 0.470 248 L N 1.806 123.138 121.223 0.182 0.000 2.372 248 L HA 0.661 5.001 4.340 0.000 0.000 0.273 248 L C -1.616 175.341 176.870 0.144 0.000 0.989 248 L CA -0.131 54.821 54.840 0.186 0.000 0.841 248 L CB 1.178 43.393 42.059 0.260 0.000 1.225 248 L HN 0.800 nan 8.230 nan 0.000 0.414 249 D N 3.831 124.290 120.400 0.098 0.000 2.299 249 D HA 0.584 5.224 4.640 0.000 0.000 0.243 249 D C -1.064 175.278 176.300 0.070 0.000 0.982 249 D CA -0.288 53.754 54.000 0.070 0.000 0.924 249 D CB 2.365 43.188 40.800 0.038 0.000 1.238 249 D HN 0.530 nan 8.370 nan 0.000 0.484 250 L N 1.178 122.435 121.223 0.056 0.000 2.341 250 L HA 0.683 5.023 4.340 0.000 0.000 0.278 250 L C -0.938 175.952 176.870 0.034 0.000 1.005 250 L CA -0.279 54.591 54.840 0.049 0.000 0.818 250 L CB 1.330 43.419 42.059 0.051 0.000 1.259 250 L HN 0.599 nan 8.230 nan 0.000 0.418 251 T N 1.763 116.335 114.554 0.030 0.000 2.908 251 T HA 0.938 5.288 4.350 0.000 0.000 0.290 251 T C -0.593 174.119 174.700 0.020 0.000 1.034 251 T CA -0.605 61.508 62.100 0.022 0.000 1.010 251 T CB 2.057 70.937 68.868 0.020 0.000 1.068 251 T HN 0.876 nan 8.240 nan 0.000 0.481 252 A N 1.232 124.061 122.820 0.015 0.000 2.574 252 A HA 0.937 5.257 4.320 0.000 0.000 0.297 252 A C -0.470 177.120 177.584 0.010 0.000 1.062 252 A CA -0.630 51.415 52.037 0.014 0.000 0.686 252 A CB 1.365 20.373 19.000 0.014 0.000 1.285 252 A HN 1.950 nan 8.150 nan 0.000 0.403 253 S N -0.449 115.257 115.700 0.010 0.000 2.595 253 S HA 0.812 5.282 4.470 0.000 0.000 0.270 253 S C -0.882 173.722 174.600 0.007 0.000 1.145 253 S CA -0.130 58.075 58.200 0.008 0.000 0.825 253 S CB 1.529 64.733 63.200 0.007 0.000 1.107 253 S HN 1.989 nan 8.310 nan 0.000 0.461 254 T N 0.107 114.664 114.554 0.006 0.000 3.170 254 T HA 0.702 5.052 4.350 0.000 0.000 0.315 254 T C -0.305 174.398 174.700 0.005 0.000 0.967 254 T CA 0.254 62.358 62.100 0.006 0.000 1.024 254 T CB 0.465 69.337 68.868 0.006 0.000 1.018 254 T HN 1.563 nan 8.240 nan 0.000 0.449 255 G N 3.684 112.487 108.800 0.005 0.000 2.619 255 G HA2 0.764 4.725 3.960 0.000 0.000 0.296 255 G HA3 0.764 4.725 3.960 0.000 0.000 0.296 255 G C -0.918 173.983 174.900 0.003 0.000 1.334 255 G CA -0.950 44.152 45.100 0.004 0.000 0.934 255 G HN 1.040 nan 8.290 nan 0.000 0.476 256 I N -1.257 119.314 120.570 0.002 0.000 2.797 256 I HA 0.916 5.087 4.170 0.000 0.000 0.307 256 I C -0.347 175.768 176.117 -0.004 0.000 1.033 256 I CA -1.052 60.248 61.300 0.001 0.000 1.071 256 I CB 2.698 40.700 38.000 0.003 0.000 1.255 256 I HN 0.578 nan 8.210 nan 0.000 0.445 257 S N 1.498 117.193 115.700 -0.008 0.000 2.689 257 S HA 0.474 4.944 4.470 0.000 0.000 0.274 257 S C -1.748 172.835 174.600 -0.027 0.000 1.176 257 S CA -0.848 57.339 58.200 -0.021 0.000 1.014 257 S CB 1.204 64.390 63.200 -0.024 0.000 1.071 257 S HN 0.648 nan 8.310 nan 0.000 0.478 258 D N 2.770 123.147 120.400 -0.040 0.000 2.381 258 D HA 0.583 5.223 4.640 0.000 0.000 0.235 258 D C -0.523 175.719 176.300 -0.098 0.000 1.068 258 D CA -0.016 53.956 54.000 -0.046 0.000 0.832 258 D CB 1.726 42.510 40.800 -0.025 0.000 1.101 258 D HN 0.567 nan 8.370 nan 0.000 0.515 259 T N 0.290 114.773 114.554 -0.118 0.000 2.888 259 T HA 0.729 5.079 4.350 0.000 0.000 0.284 259 T C -0.203 174.336 174.700 -0.269 0.000 1.017 259 T CA -0.920 61.033 62.100 -0.245 0.000 1.022 259 T CB 1.387 70.086 68.868 -0.280 0.000 1.013 259 T HN 0.284 nan 8.240 nan 0.000 0.465 260 S N 1.621 117.078 115.700 -0.405 0.000 2.575 260 S HA 0.659 5.129 4.470 0.000 0.000 0.278 260 S C -1.404 172.950 174.600 -0.410 0.000 1.139 260 S CA -0.902 57.136 58.200 -0.269 0.000 0.954 260 S CB 0.675 63.817 63.200 -0.098 0.000 1.054 260 S HN 0.573 nan 8.310 nan 0.000 0.483 261 Y N 1.718 121.984 120.300 -0.057 0.000 2.480 261 Y HA 0.804 5.354 4.550 0.000 0.000 0.323 261 Y C 1.013 176.868 175.900 -0.074 0.000 1.267 261 Y CA -0.085 57.940 58.100 -0.125 0.000 1.336 261 Y CB 1.737 40.056 38.460 -0.236 0.000 1.361 261 Y HN 1.082 nan 8.280 nan 0.000 0.518 262 S N -0.601 115.143 115.700 0.073 0.000 2.586 262 S HA 0.777 5.247 4.470 0.000 0.000 0.277 262 S C -0.710 173.910 174.600 0.033 0.000 1.131 262 S CA -0.325 57.911 58.200 0.060 0.000 0.848 262 S CB 1.351 64.591 63.200 0.066 0.000 1.091 262 S HN 1.757 nan 8.310 nan 0.000 0.453 263 G N 1.117 109.948 108.800 0.051 0.000 2.355 263 G HA2 0.311 4.271 3.960 0.000 0.000 0.619 263 G HA3 0.311 4.271 3.960 0.000 0.000 0.619 263 G C 0.299 175.233 174.900 0.058 0.000 1.337 263 G CA -0.006 45.122 45.100 0.047 0.000 0.993 263 G HN 1.413 nan 8.290 nan 0.000 0.599 264 S N 0.240 115.973 115.700 0.054 0.000 2.456 264 S HA -0.196 4.275 4.470 0.000 0.000 0.232 264 S C 2.025 176.672 174.600 0.078 0.000 1.046 264 S CA 1.921 60.156 58.200 0.058 0.000 1.175 264 S CB -0.424 62.806 63.200 0.050 0.000 1.129 264 S HN 0.719 nan 8.310 nan 0.000 0.420 265 K N 0.958 121.411 120.400 0.088 0.000 2.642 265 K HA -0.033 4.287 4.320 0.000 0.000 0.194 265 K C 1.413 178.176 176.600 0.271 0.000 1.039 265 K CA 1.035 57.407 56.287 0.142 0.000 0.947 265 K CB -0.362 32.226 32.500 0.146 0.000 0.784 265 K HN 0.387 nan 8.250 nan 0.000 0.491 266 T N -0.123 114.562 114.554 0.218 0.000 3.034 266 T HA 0.051 4.401 4.350 0.000 0.000 0.248 266 T C 0.639 175.461 174.700 0.203 0.000 1.040 266 T CA 0.049 62.353 62.100 0.340 0.000 1.107 266 T CB 0.231 69.203 68.868 0.173 0.000 0.932 266 T HN 0.112 nan 8.240 nan 0.000 0.474 267 R N 1.890 122.463 120.500 0.120 0.000 2.878 267 R HA 0.433 4.773 4.340 0.000 0.000 0.239 267 R C 0.995 177.326 176.300 0.053 0.000 1.515 267 R CA 0.225 56.371 56.100 0.077 0.000 1.210 267 R CB -0.283 30.052 30.300 0.059 0.000 1.209 267 R HN 0.515 nan 8.270 nan 0.000 0.610 268 G N 0.446 109.269 108.800 0.038 0.000 1.701 268 G HA2 -0.226 3.734 3.960 0.000 0.000 0.057 268 G HA3 -0.226 3.734 3.960 0.000 0.000 0.057 268 G C 0.824 175.708 174.900 -0.027 0.000 1.314 268 G CA -0.023 45.082 45.100 0.008 0.000 1.162 268 G HN 0.395 nan 8.290 nan 0.000 0.358 269 A N 0.428 123.219 122.820 -0.048 0.000 2.027 269 A HA 0.066 4.386 4.320 0.000 0.000 0.238 269 A C 3.102 180.597 177.584 -0.148 0.000 1.809 269 A CA 4.464 56.435 52.037 -0.109 0.000 0.738 269 A CB -1.247 17.655 19.000 -0.164 0.000 0.832 269 A HN 2.843 nan 8.150 nan 0.000 0.554 270 A N -3.687 119.044 122.820 -0.148 0.000 5.023 270 A HA 0.004 4.324 4.320 0.000 0.000 0.346 270 A C 2.398 179.858 177.584 -0.208 0.000 1.724 270 A CA 3.490 55.445 52.037 -0.137 0.000 0.700 270 A CB -1.904 17.051 19.000 -0.074 0.000 1.464 270 A HN 2.663 nan 8.150 nan 0.000 0.404 271 G N -2.805 105.904 108.800 -0.152 0.000 2.200 271 G HA2 -0.066 3.894 3.960 0.000 0.000 0.268 271 G HA3 -0.066 3.894 3.960 0.000 0.000 0.268 271 G C 1.362 176.179 174.900 -0.138 0.000 0.986 271 G CA 1.903 46.911 45.100 -0.153 0.000 0.677 271 G HN 2.609 nan 8.290 nan 0.000 0.532 272 T N -1.776 112.709 114.554 -0.114 0.000 6.387 272 T HA -0.328 4.022 4.350 0.000 0.000 0.290 272 T C 1.592 176.245 174.700 -0.078 0.000 1.901 272 T CA 2.303 64.361 62.100 -0.070 0.000 3.035 272 T CB -1.298 67.545 68.868 -0.042 0.000 1.917 272 T HN 0.812 nan 8.240 nan 0.000 1.121 273 Q N -0.449 119.246 119.800 -0.174 0.000 1.984 273 Q HA 0.027 4.368 4.340 0.000 0.000 0.196 273 Q C 1.231 177.202 176.000 -0.048 0.000 0.975 273 Q CA 1.125 56.824 55.803 -0.173 0.000 0.827 273 Q CB -0.023 28.484 28.738 -0.384 0.000 0.894 273 Q HN 0.670 nan 8.270 nan 0.000 0.438 274 Y N 1.649 121.795 120.300 -0.257 0.000 2.542 274 Y HA 0.067 4.618 4.550 0.000 0.000 0.326 274 Y C 0.055 175.981 175.900 0.044 0.000 1.218 274 Y CA -0.419 57.519 58.100 -0.271 0.000 1.277 274 Y CB -0.811 37.538 38.460 -0.185 0.000 1.064 274 Y HN 0.003 nan 8.280 nan 0.000 0.499 275 D N 0.786 121.296 120.400 0.183 0.000 2.341 275 D HA 0.013 4.653 4.640 0.000 0.000 0.245 275 D C -0.349 176.084 176.300 0.222 0.000 1.106 275 D CA -0.162 53.936 54.000 0.162 0.000 0.905 275 D CB 0.884 41.736 40.800 0.086 0.000 1.202 275 D HN 0.072 nan 8.370 nan 0.000 0.426 276 D N 0.588 121.086 120.400 0.163 0.000 2.412 276 D HA -0.005 4.635 4.640 0.000 0.000 0.257 276 D C 0.107 176.464 176.300 0.095 0.000 1.217 276 D CA 0.439 54.510 54.000 0.119 0.000 0.897 276 D CB 0.358 41.196 40.800 0.063 0.000 1.132 276 D HN -0.020 nan 8.370 nan 0.000 0.493 277 S N 2.901 118.661 115.700 0.099 0.000 2.480 277 S HA 0.299 4.769 4.470 0.000 0.000 0.286 277 S C -0.389 174.228 174.600 0.028 0.000 1.180 277 S CA -0.854 57.389 58.200 0.073 0.000 1.075 277 S CB 0.280 63.541 63.200 0.102 0.000 0.996 277 S HN 0.265 nan 8.310 nan 0.000 0.487 278 N N 5.246 123.960 118.700 0.024 0.000 2.804 278 N HA 0.218 4.958 4.740 0.000 0.000 0.251 278 N C -0.801 174.716 175.510 0.012 0.000 1.250 278 N CA -0.419 52.638 53.050 0.011 0.000 0.820 278 N CB 1.018 39.512 38.487 0.012 0.000 1.156 278 N HN 0.534 nan 8.380 nan 0.000 0.512 279 M N 0.570 120.176 119.600 0.009 0.000 2.228 279 M HA 0.426 4.906 4.480 0.000 0.000 0.326 279 M C 1.029 177.333 176.300 0.006 0.000 1.122 279 M CA -0.345 54.961 55.300 0.009 0.000 1.161 279 M CB 0.830 33.435 32.600 0.009 0.000 1.437 279 M HN 0.316 nan 8.290 nan 0.000 0.465 280 G N 1.607 110.411 108.800 0.007 0.000 2.701 280 G HA2 0.643 4.603 3.960 0.000 0.000 0.300 280 G HA3 0.643 4.603 3.960 0.000 0.000 0.300 280 G C -1.303 173.601 174.900 0.006 0.000 1.410 280 G CA -0.412 44.692 45.100 0.006 0.000 1.014 280 G HN 0.525 nan 8.290 nan 0.000 0.509 281 Q N 0.660 120.464 119.800 0.006 0.000 2.377 281 Q HA 0.387 4.727 4.340 0.000 0.000 0.279 281 Q C -1.313 174.691 176.000 0.007 0.000 1.049 281 Q CA -0.823 54.984 55.803 0.006 0.000 0.825 281 Q CB 2.950 31.692 28.738 0.006 0.000 1.401 281 Q HN 0.627 nan 8.270 nan 0.000 0.404 282 N N 1.648 120.352 118.700 0.007 0.000 2.295 282 N HA 0.513 5.254 4.740 0.000 0.000 0.293 282 N C -1.131 174.384 175.510 0.009 0.000 1.040 282 N CA -0.434 52.620 53.050 0.008 0.000 0.840 282 N CB 2.284 40.776 38.487 0.008 0.000 1.468 282 N HN 0.345 nan 8.380 nan 0.000 0.478 283 K N 0.218 120.623 120.400 0.010 0.000 2.508 283 K HA 0.682 5.002 4.320 0.000 0.000 0.260 283 K C -1.027 175.581 176.600 0.013 0.000 0.949 283 K CA -0.965 55.329 56.287 0.011 0.000 0.834 283 K CB 2.793 35.299 32.500 0.011 0.000 1.365 283 K HN 0.329 nan 8.250 nan 0.000 0.437 284 V N -2.404 117.519 119.914 0.015 0.000 3.012 284 V HA 0.986 5.106 4.120 0.000 0.000 0.307 284 V C -0.615 175.492 176.094 0.021 0.000 1.166 284 V CA -0.402 61.909 62.300 0.018 0.000 0.974 284 V CB 1.787 33.621 31.823 0.018 0.000 1.040 284 V HN 0.972 nan 8.190 nan 0.000 0.428 285 G N 2.120 110.936 108.800 0.027 0.000 2.576 285 G HA2 0.626 4.586 3.960 0.000 0.000 0.290 285 G HA3 0.626 4.586 3.960 0.000 0.000 0.290 285 G C -2.045 172.880 174.900 0.043 0.000 1.442 285 G CA -0.912 44.207 45.100 0.032 0.000 0.792 285 G HN 0.985 nan 8.290 nan 0.000 0.491 286 L N 0.488 121.742 121.223 0.052 0.000 2.362 286 L HA 0.771 5.112 4.340 0.000 0.000 0.271 286 L C -0.090 176.833 176.870 0.089 0.000 1.002 286 L CA -1.015 53.868 54.840 0.073 0.000 0.818 286 L CB 2.239 44.345 42.059 0.078 0.000 1.298 286 L HN 0.532 nan 8.230 nan 0.000 0.420 287 S N 2.151 117.914 115.700 0.106 0.000 2.605 287 S HA 0.566 5.036 4.470 0.000 0.000 0.308 287 S C -1.208 173.494 174.600 0.171 0.000 1.113 287 S CA -0.447 57.824 58.200 0.118 0.000 1.049 287 S CB 0.740 63.984 63.200 0.072 0.000 1.001 287 S HN 0.394 nan 8.310 nan 0.000 0.480 288 F N 4.458 124.432 119.950 0.039 0.000 2.436 288 F HA 0.731 5.258 4.527 0.000 0.000 0.340 288 F C -0.191 175.636 175.800 0.045 0.000 1.113 288 F CA -0.192 57.837 58.000 0.047 0.000 1.022 288 F CB 1.641 40.661 39.000 0.035 0.000 1.128 288 F HN 0.494 nan 8.300 nan 0.000 0.466 289 S N 6.712 122.086 115.700 -0.543 0.000 2.571 289 S HA 0.731 5.201 4.470 0.000 0.000 0.284 289 S C -2.049 172.226 174.600 -0.542 0.000 1.128 289 S CA -0.602 57.386 58.200 -0.352 0.000 0.970 289 S CB 1.243 64.355 63.200 -0.147 0.000 1.039 289 S HN 0.781 nan 8.310 nan 0.000 0.485 290 L N 6.338 127.379 121.223 -0.303 0.000 2.441 290 L HA 0.712 5.052 4.340 0.000 0.000 0.270 290 L C -2.737 174.124 176.870 -0.016 0.000 0.973 290 L CA -1.405 53.331 54.840 -0.174 0.000 0.842 290 L CB 1.432 43.455 42.059 -0.059 0.000 1.239 290 L HN 0.433 nan 8.230 nan 0.000 0.406 291 P HA 0.358 nan 4.420 nan 0.000 0.271 291 P C 0.370 177.719 177.300 0.082 0.000 1.216 291 P CA -0.041 63.080 63.100 0.036 0.000 0.771 291 P CB 0.977 32.696 31.700 0.032 0.000 0.864 292 I N 0.901 121.531 120.570 0.100 0.000 3.300 292 I HA 0.130 4.300 4.170 0.000 0.000 0.279 292 I C -0.146 176.100 176.117 0.215 0.000 1.172 292 I CA 0.350 61.730 61.300 0.134 0.000 1.431 292 I CB 0.289 38.362 38.000 0.123 0.000 1.240 292 I HN 0.289 nan 8.210 nan 0.000 0.453 293 Y N 1.811 122.138 120.300 0.045 0.000 2.376 293 Y HA 0.300 4.850 4.550 0.000 0.000 0.321 293 Y C -1.379 174.545 175.900 0.040 0.000 1.189 293 Y CA -1.059 57.068 58.100 0.045 0.000 1.069 293 Y CB 1.032 39.511 38.460 0.032 0.000 1.292 293 Y HN 0.025 nan 8.280 nan 0.000 0.430 294 Q N 4.961 124.383 119.800 -0.631 0.000 2.628 294 Q HA 0.361 4.701 4.340 0.000 0.000 0.397 294 Q C 0.840 176.459 176.000 -0.635 0.000 0.916 294 Q CA -0.104 55.389 55.803 -0.516 0.000 1.071 294 Q CB 1.287 29.890 28.738 -0.225 0.000 1.367 294 Q HN 1.161 nan 8.270 nan 0.000 0.404 295 G N 0.481 108.606 108.800 -1.124 0.000 2.258 295 G HA2 -0.321 3.640 3.960 0.000 0.000 0.274 295 G HA3 -0.321 3.640 3.960 0.000 0.000 0.274 295 G C 0.871 175.640 174.900 -0.219 0.000 1.021 295 G CA 0.577 45.381 45.100 -0.492 0.000 0.798 295 G HN 0.978 nan 8.290 nan 0.000 0.507 296 G N -0.996 107.660 108.800 -0.240 0.000 2.253 296 G HA2 -0.371 3.589 3.960 0.000 0.000 0.251 296 G HA3 -0.371 3.589 3.960 0.000 0.000 0.251 296 G C 1.330 176.216 174.900 -0.022 0.000 0.998 296 G CA 1.605 46.709 45.100 0.006 0.000 0.621 296 G HN 1.551 nan 8.290 nan 0.000 0.524 297 M N 0.892 120.441 119.600 -0.085 0.000 2.204 297 M HA -0.229 4.251 4.480 0.000 0.000 0.255 297 M C 2.485 178.749 176.300 -0.060 0.000 1.073 297 M CA 3.238 58.497 55.300 -0.068 0.000 1.084 297 M CB -0.440 32.102 32.600 -0.096 0.000 1.289 297 M HN 0.386 nan 8.290 nan 0.000 0.419 298 V N 1.272 121.138 119.914 -0.081 0.000 2.469 298 V HA -0.294 3.827 4.120 0.000 0.000 0.251 298 V C 2.075 178.116 176.094 -0.088 0.000 1.064 298 V CA 2.119 64.323 62.300 -0.160 0.000 1.066 298 V CB -1.359 30.240 31.823 -0.375 0.000 0.667 298 V HN 0.566 nan 8.190 nan 0.000 0.461 299 N N -0.234 118.492 118.700 0.043 0.000 2.251 299 N HA -0.083 4.657 4.740 0.000 0.000 0.181 299 N C 2.155 177.678 175.510 0.023 0.000 1.019 299 N CA 1.428 54.520 53.050 0.071 0.000 0.862 299 N CB -0.231 38.323 38.487 0.112 0.000 0.992 299 N HN 0.434 nan 8.380 nan 0.000 0.429 300 S N 1.295 117.007 115.700 0.022 0.000 2.402 300 S HA -0.180 4.291 4.470 0.000 0.000 0.233 300 S C 1.826 176.433 174.600 0.011 0.000 1.030 300 S CA 1.415 59.629 58.200 0.023 0.000 1.003 300 S CB 0.003 63.216 63.200 0.022 0.000 0.813 300 S HN 0.334 nan 8.310 nan 0.000 0.477 301 Q N -0.268 119.525 119.800 -0.012 0.000 2.062 301 Q HA 0.006 4.346 4.340 0.000 0.000 0.196 301 Q C 2.323 178.307 176.000 -0.027 0.000 0.967 301 Q CA 1.546 57.336 55.803 -0.022 0.000 0.832 301 Q CB -0.231 28.476 28.738 -0.052 0.000 0.899 301 Q HN 0.447 nan 8.270 nan 0.000 0.442 302 V N 1.527 121.418 119.914 -0.038 0.000 2.407 302 V HA -0.275 3.846 4.120 0.000 0.000 0.248 302 V C 2.039 178.096 176.094 -0.062 0.000 1.055 302 V CA 1.729 64.004 62.300 -0.041 0.000 1.049 302 V CB -0.441 31.373 31.823 -0.015 0.000 0.662 302 V HN 0.287 nan 8.190 nan 0.000 0.455 303 K N -0.356 120.001 120.400 -0.071 0.000 2.001 303 K HA -0.202 4.119 4.320 0.000 0.000 0.208 303 K C 2.334 178.829 176.600 -0.176 0.000 1.048 303 K CA 1.652 57.835 56.287 -0.174 0.000 0.932 303 K CB -0.258 32.163 32.500 -0.133 0.000 0.715 303 K HN 0.510 nan 8.250 nan 0.000 0.437 304 Q N 0.218 120.016 119.800 -0.002 0.000 2.062 304 Q HA -0.213 4.127 4.340 0.000 0.000 0.209 304 Q C 2.174 178.226 176.000 0.087 0.000 0.996 304 Q CA 1.812 57.684 55.803 0.115 0.000 0.859 304 Q CB -0.338 28.457 28.738 0.096 0.000 0.920 304 Q HN 0.368 nan 8.270 nan 0.000 0.415 305 A N 0.807 123.648 122.820 0.034 0.000 2.032 305 A HA -0.281 4.039 4.320 0.000 0.000 0.221 305 A C 1.899 179.527 177.584 0.073 0.000 1.165 305 A CA 1.748 53.812 52.037 0.044 0.000 0.645 305 A CB -0.401 18.603 19.000 0.005 0.000 0.807 305 A HN 0.416 nan 8.150 nan 0.000 0.453 306 Q N -2.171 117.633 119.800 0.006 0.000 2.123 306 Q HA -0.075 4.265 4.340 0.000 0.000 0.196 306 Q C 1.856 177.932 176.000 0.126 0.000 0.958 306 Q CA 1.177 56.994 55.803 0.024 0.000 0.841 306 Q CB -0.222 28.438 28.738 -0.129 0.000 0.915 306 Q HN 0.760 nan 8.270 nan 0.000 0.455 307 Y N 1.540 121.899 120.300 0.099 0.000 2.224 307 Y HA -0.212 4.339 4.550 0.001 0.000 0.289 307 Y C 2.212 178.154 175.900 0.070 0.000 1.146 307 Y CA 0.963 59.108 58.100 0.075 0.000 1.182 307 Y CB -0.525 37.963 38.460 0.046 0.000 0.983 307 Y HN 0.258 nan 8.280 nan 0.000 0.524 308 N N -0.145 118.701 118.700 0.243 0.000 2.309 308 N HA -0.218 4.523 4.740 0.000 0.000 0.182 308 N C 1.872 177.465 175.510 0.139 0.000 1.018 308 N CA 0.911 54.052 53.050 0.151 0.000 0.876 308 N CB -0.451 38.109 38.487 0.123 0.000 0.972 308 N HN 0.350 nan 8.380 nan 0.000 0.434 309 F N 1.446 121.428 119.950 0.053 0.000 2.259 309 F HA -0.020 4.507 4.527 0.000 0.000 0.298 309 F C 2.138 177.964 175.800 0.043 0.000 1.088 309 F CA 0.646 58.666 58.000 0.033 0.000 1.358 309 F CB -0.313 38.695 39.000 0.014 0.000 1.040 309 F HN -0.174 nan 8.300 nan 0.000 0.505 310 V N 0.434 120.363 119.914 0.025 0.000 2.295 310 V HA -0.224 3.896 4.120 0.000 0.000 0.246 310 V C 2.790 178.816 176.094 -0.113 0.000 1.049 310 V CA 1.980 64.252 62.300 -0.046 0.000 1.024 310 V CB -1.614 30.282 31.823 0.121 0.000 0.648 310 V HN 0.513 nan 8.190 nan 0.000 0.447 311 G N -0.226 108.551 108.800 -0.040 0.000 2.476 311 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 311 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 311 G C 1.777 176.616 174.900 -0.102 0.000 1.164 311 G CA 1.168 46.240 45.100 -0.047 0.000 0.768 311 G HN 0.626 nan 8.290 nan 0.000 0.560 312 A N 0.409 123.140 122.820 -0.148 0.000 1.978 312 A HA 0.001 4.321 4.320 0.000 0.000 0.220 312 A C 2.703 180.145 177.584 -0.236 0.000 1.170 312 A CA 2.333 54.267 52.037 -0.171 0.000 0.636 312 A CB -0.504 18.390 19.000 -0.177 0.000 0.810 312 A HN 0.339 nan 8.150 nan 0.000 0.448 313 S N -0.473 115.008 115.700 -0.364 0.000 2.345 313 S HA -0.105 4.365 4.470 0.000 0.000 0.219 313 S C 1.934 176.442 174.600 -0.153 0.000 1.031 313 S CA 1.142 59.156 58.200 -0.310 0.000 0.984 313 S CB -0.302 62.666 63.200 -0.386 0.000 0.874 313 S HN 0.585 nan 8.310 nan 0.000 0.451 314 E N 1.678 121.808 120.200 -0.117 0.000 2.097 314 E HA -0.195 4.155 4.350 0.000 0.000 0.196 314 E C 2.115 178.687 176.600 -0.046 0.000 1.000 314 E CA 1.189 57.551 56.400 -0.063 0.000 0.804 314 E CB -0.442 29.231 29.700 -0.044 0.000 0.740 314 E HN 0.631 nan 8.360 nan 0.000 0.454 315 Q N -0.088 119.680 119.800 -0.054 0.000 2.224 315 Q HA -0.109 4.232 4.340 0.000 0.000 0.203 315 Q C 2.239 178.227 176.000 -0.021 0.000 0.970 315 Q CA 0.627 56.410 55.803 -0.032 0.000 0.865 315 Q CB -0.138 28.580 28.738 -0.033 0.000 0.922 315 Q HN 0.135 nan 8.270 nan 0.000 0.445 316 L N 1.191 122.391 121.223 -0.038 0.000 2.093 316 L HA -0.164 4.176 4.340 0.000 0.000 0.208 316 L C 2.184 179.064 176.870 0.017 0.000 1.085 316 L CA 1.959 56.790 54.840 -0.015 0.000 0.755 316 L CB -0.410 41.623 42.059 -0.043 0.000 0.904 316 L HN 0.081 nan 8.230 nan 0.000 0.435 317 E N -0.472 119.726 120.200 -0.004 0.000 2.051 317 E HA -0.175 4.176 4.350 0.000 0.000 0.192 317 E C 2.101 178.736 176.600 0.057 0.000 0.991 317 E CA 1.839 58.249 56.400 0.018 0.000 0.799 317 E CB -0.363 29.332 29.700 -0.009 0.000 0.748 317 E HN 0.542 nan 8.360 nan 0.000 0.449 318 S N 0.401 116.118 115.700 0.029 0.000 2.359 318 S HA -0.187 4.283 4.470 0.000 0.000 0.224 318 S C 2.092 176.714 174.600 0.036 0.000 1.035 318 S CA 1.175 59.391 58.200 0.027 0.000 1.018 318 S CB -0.717 62.489 63.200 0.010 0.000 0.876 318 S HN 0.534 nan 8.310 nan 0.000 0.448 319 A N 1.760 124.602 122.820 0.038 0.000 1.917 319 A HA -0.249 4.071 4.320 0.000 0.000 0.219 319 A C 2.047 179.658 177.584 0.044 0.000 1.182 319 A CA 1.939 53.996 52.037 0.034 0.000 0.633 319 A CB -1.063 17.958 19.000 0.035 0.000 0.819 319 A HN 0.664 nan 8.150 nan 0.000 0.448 320 H N -0.326 118.739 119.070 -0.009 0.000 2.326 320 H HA -0.007 4.549 4.556 0.000 0.000 0.301 320 H C 2.278 177.603 175.328 -0.005 0.000 1.081 320 H CA 1.645 57.688 56.048 -0.007 0.000 1.334 320 H CB -0.096 29.661 29.762 -0.009 0.000 1.385 320 H HN 0.447 nan 8.280 nan 0.000 0.504 321 R N -0.031 120.527 120.500 0.098 0.000 2.127 321 R HA -0.109 4.231 4.340 0.000 0.000 0.238 321 R C 2.700 178.986 176.300 -0.023 0.000 1.134 321 R CA 1.276 57.402 56.100 0.044 0.000 0.975 321 R CB -0.160 30.173 30.300 0.055 0.000 0.865 321 R HN 0.195 nan 8.270 nan 0.000 0.447 322 S N 0.241 115.926 115.700 -0.024 0.000 2.357 322 S HA -0.078 4.393 4.470 0.000 0.000 0.221 322 S C 1.987 176.550 174.600 -0.061 0.000 1.031 322 S CA 1.048 59.230 58.200 -0.030 0.000 0.982 322 S CB -0.188 63.003 63.200 -0.014 0.000 0.853 322 S HN 0.206 nan 8.310 nan 0.000 0.458 323 V N 1.623 121.479 119.914 -0.098 0.000 2.392 323 V HA -0.105 4.015 4.120 0.000 0.000 0.249 323 V C 2.246 178.255 176.094 -0.142 0.000 1.059 323 V CA 2.126 64.355 62.300 -0.119 0.000 1.051 323 V CB -0.478 31.255 31.823 -0.150 0.000 0.658 323 V HN 0.454 nan 8.190 nan 0.000 0.455 324 V N 0.131 119.925 119.914 -0.200 0.000 2.223 324 V HA -0.266 3.855 4.120 0.000 0.000 0.244 324 V C 2.585 178.638 176.094 -0.068 0.000 1.045 324 V CA 2.490 64.698 62.300 -0.154 0.000 1.000 324 V CB -0.826 30.907 31.823 -0.150 0.000 0.635 324 V HN 0.637 nan 8.190 nan 0.000 0.445 325 Q N -0.128 119.645 119.800 -0.044 0.000 2.152 325 Q HA -0.239 4.101 4.340 0.000 0.000 0.206 325 Q C 2.136 178.133 176.000 -0.004 0.000 0.985 325 Q CA 2.700 58.495 55.803 -0.012 0.000 0.863 325 Q CB -0.626 28.108 28.738 -0.006 0.000 0.904 325 Q HN 0.692 nan 8.270 nan 0.000 0.422 326 T N 0.288 114.832 114.554 -0.017 0.000 2.777 326 T HA -0.057 4.293 4.350 0.000 0.000 0.266 326 T C 1.987 176.690 174.700 0.006 0.000 1.040 326 T CA 1.273 63.370 62.100 -0.006 0.000 1.141 326 T CB -0.210 68.648 68.868 -0.015 0.000 0.868 326 T HN 0.089 nan 8.240 nan 0.000 0.444 327 V N 1.824 121.732 119.914 -0.010 0.000 2.237 327 V HA -0.193 3.928 4.120 0.000 0.000 0.245 327 V C 2.631 178.757 176.094 0.053 0.000 1.046 327 V CA 1.694 63.995 62.300 0.003 0.000 1.007 327 V CB -0.550 31.249 31.823 -0.040 0.000 0.638 327 V HN 0.398 nan 8.190 nan 0.000 0.445 328 R N 0.035 120.559 120.500 0.041 0.000 2.103 328 R HA -0.175 4.165 4.340 0.000 0.000 0.242 328 R C 2.534 178.924 176.300 0.150 0.000 1.142 328 R CA 1.858 58.021 56.100 0.105 0.000 0.960 328 R CB -0.714 29.623 30.300 0.062 0.000 0.858 328 R HN 0.445 nan 8.270 nan 0.000 0.439 329 S N 0.566 116.317 115.700 0.085 0.000 2.356 329 S HA -0.116 4.354 4.470 0.000 0.000 0.223 329 S C 2.077 176.722 174.600 0.075 0.000 1.032 329 S CA 1.523 59.764 58.200 0.068 0.000 1.005 329 S CB -0.133 63.091 63.200 0.040 0.000 0.867 329 S HN 0.288 nan 8.310 nan 0.000 0.449 330 S N 0.945 116.691 115.700 0.078 0.000 2.400 330 S HA -0.077 4.394 4.470 0.000 0.000 0.232 330 S C 1.476 176.144 174.600 0.114 0.000 1.025 330 S CA 1.043 59.286 58.200 0.072 0.000 0.993 330 S CB -0.382 62.852 63.200 0.056 0.000 0.808 330 S HN 0.544 nan 8.310 nan 0.000 0.478 331 F N 2.869 122.818 119.950 -0.002 0.000 2.060 331 F HA -0.069 4.458 4.527 0.000 0.000 0.295 331 F C 1.809 177.619 175.800 0.017 0.000 1.120 331 F CA 1.416 59.419 58.000 0.005 0.000 1.205 331 F CB -1.030 37.971 39.000 0.002 0.000 0.986 331 F HN 0.188 nan 8.300 nan 0.000 0.470 332 N N 0.197 118.878 118.700 -0.032 0.000 2.036 332 N HA -0.269 4.471 4.740 0.000 0.000 0.195 332 N C 1.480 176.920 175.510 -0.118 0.000 1.037 332 N CA 1.458 54.430 53.050 -0.131 0.000 0.855 332 N CB -0.354 38.135 38.487 0.004 0.000 1.033 332 N HN 0.327 nan 8.380 nan 0.000 0.423 333 N N 1.370 120.047 118.700 -0.039 0.000 2.120 333 N HA -0.114 4.626 4.740 0.000 0.000 0.188 333 N C 1.834 177.338 175.510 -0.010 0.000 1.024 333 N CA 0.628 53.670 53.050 -0.013 0.000 0.852 333 N CB -0.317 38.178 38.487 0.014 0.000 1.003 333 N HN 0.324 nan 8.380 nan 0.000 0.424 334 I N 1.209 121.763 120.570 -0.027 0.000 2.315 334 I HA -0.234 3.936 4.170 0.000 0.000 0.248 334 I C 1.613 177.744 176.117 0.022 0.000 1.117 334 I CA 1.028 62.337 61.300 0.014 0.000 1.404 334 I CB 0.023 38.016 38.000 -0.012 0.000 1.071 334 I HN 0.037 nan 8.210 nan 0.000 0.419 335 N N 1.464 120.084 118.700 -0.135 0.000 2.039 335 N HA -0.142 4.598 4.740 0.000 0.000 0.193 335 N C 1.879 177.348 175.510 -0.069 0.000 1.044 335 N CA 1.799 54.754 53.050 -0.159 0.000 0.847 335 N CB -0.590 37.691 38.487 -0.344 0.000 1.030 335 N HN 0.431 nan 8.380 nan 0.000 0.422 336 A N 0.086 122.865 122.820 -0.067 0.000 2.076 336 A HA -0.126 4.194 4.320 0.000 0.000 0.220 336 A C 2.459 180.057 177.584 0.023 0.000 1.160 336 A CA 1.849 53.871 52.037 -0.024 0.000 0.653 336 A CB -0.687 18.303 19.000 -0.017 0.000 0.801 336 A HN 0.318 nan 8.150 nan 0.000 0.455 337 S N -0.688 115.048 115.700 0.060 0.000 2.371 337 S HA -0.039 4.431 4.470 0.000 0.000 0.224 337 S C 1.846 176.508 174.600 0.104 0.000 1.029 337 S CA 1.158 59.434 58.200 0.125 0.000 0.978 337 S CB -0.403 62.928 63.200 0.217 0.000 0.833 337 S HN 0.535 nan 8.310 nan 0.000 0.466 338 I N 0.502 121.118 120.570 0.076 0.000 2.233 338 I HA -0.096 4.074 4.170 0.000 0.000 0.243 338 I C 2.662 178.761 176.117 -0.030 0.000 1.093 338 I CA 1.109 62.393 61.300 -0.026 0.000 1.380 338 I CB -0.509 37.472 38.000 -0.033 0.000 1.067 338 I HN 0.306 nan 8.210 nan 0.000 0.413 339 S N -0.185 115.501 115.700 -0.023 0.000 2.400 339 S HA -0.206 4.264 4.470 0.000 0.000 0.232 339 S C 2.220 176.796 174.600 -0.039 0.000 1.025 339 S CA 2.033 60.211 58.200 -0.037 0.000 0.993 339 S CB -0.192 62.982 63.200 -0.043 0.000 0.808 339 S HN 0.388 nan 8.310 nan 0.000 0.478 340 S N 0.292 115.992 115.700 -0.002 0.000 2.395 340 S HA 0.177 4.648 4.470 0.000 0.000 0.225 340 S C 1.697 176.347 174.600 0.085 0.000 1.027 340 S CA 0.642 58.858 58.200 0.027 0.000 0.965 340 S CB -0.344 62.935 63.200 0.131 0.000 0.812 340 S HN 0.580 nan 8.310 nan 0.000 0.482 341 I N 1.975 122.585 120.570 0.066 0.000 2.335 341 I HA -0.238 3.932 4.170 0.000 0.000 0.251 341 I C 1.961 178.091 176.117 0.022 0.000 1.129 341 I CA 1.174 62.504 61.300 0.050 0.000 1.402 341 I CB -0.574 37.417 38.000 -0.015 0.000 1.069 341 I HN 0.428 nan 8.210 nan 0.000 0.424 342 N N 0.816 119.505 118.700 -0.019 0.000 2.092 342 N HA -0.106 4.634 4.740 0.000 0.000 0.189 342 N C 2.097 177.567 175.510 -0.068 0.000 1.040 342 N CA 1.093 54.118 53.050 -0.041 0.000 0.845 342 N CB -0.215 38.241 38.487 -0.052 0.000 1.017 342 N HN 0.258 nan 8.380 nan 0.000 0.426 343 A N 0.826 123.568 122.820 -0.131 0.000 1.927 343 A HA -0.215 4.105 4.320 0.000 0.000 0.220 343 A C 1.727 179.150 177.584 -0.268 0.000 1.185 343 A CA 1.564 53.460 52.037 -0.235 0.000 0.639 343 A CB -0.992 17.792 19.000 -0.360 0.000 0.820 343 A HN 0.378 nan 8.150 nan 0.000 0.451 344 Y N -0.483 119.791 120.300 -0.043 0.000 2.286 344 Y HA -0.053 4.497 4.550 0.000 0.000 0.293 344 Y C 2.338 178.202 175.900 -0.060 0.000 1.124 344 Y CA 1.316 59.386 58.100 -0.050 0.000 1.178 344 Y CB -0.276 38.156 38.460 -0.048 0.000 1.010 344 Y HN 0.306 nan 8.280 nan 0.000 0.536 345 K N 0.242 120.685 120.400 0.071 0.000 2.063 345 K HA -0.304 4.016 4.320 0.000 0.000 0.208 345 K C 2.173 178.769 176.600 -0.007 0.000 1.048 345 K CA 1.803 58.099 56.287 0.015 0.000 0.928 345 K CB -0.009 32.488 32.500 -0.005 0.000 0.713 345 K HN 0.231 nan 8.250 nan 0.000 0.442 346 Q N 0.730 120.515 119.800 -0.025 0.000 1.941 346 Q HA -0.084 4.257 4.340 0.000 0.000 0.201 346 Q C 1.794 177.773 176.000 -0.035 0.000 0.982 346 Q CA 2.402 58.182 55.803 -0.039 0.000 0.839 346 Q CB -0.766 27.936 28.738 -0.060 0.000 0.904 346 Q HN 0.298 nan 8.270 nan 0.000 0.427 347 A N -0.097 122.701 122.820 -0.037 0.000 2.093 347 A HA -0.159 4.161 4.320 0.000 0.000 0.222 347 A C 2.238 179.815 177.584 -0.012 0.000 1.162 347 A CA 1.753 53.779 52.037 -0.019 0.000 0.655 347 A CB -0.857 18.144 19.000 0.002 0.000 0.805 347 A HN 0.314 nan 8.150 nan 0.000 0.461 348 V N -0.904 119.004 119.914 -0.010 0.000 2.809 348 V HA -0.150 3.971 4.120 0.000 0.000 0.256 348 V C 2.362 178.413 176.094 -0.072 0.000 1.080 348 V CA 1.626 63.893 62.300 -0.055 0.000 1.102 348 V CB -0.181 31.604 31.823 -0.063 0.000 0.705 348 V HN 0.415 nan 8.190 nan 0.000 0.475 349 V N 0.426 120.309 119.914 -0.051 0.000 2.374 349 V HA -0.118 4.003 4.120 0.000 0.000 0.241 349 V C 2.617 178.681 176.094 -0.049 0.000 1.034 349 V CA 1.767 64.036 62.300 -0.050 0.000 1.037 349 V CB -0.423 31.377 31.823 -0.039 0.000 0.682 349 V HN 0.716 nan 8.190 nan 0.000 0.463 350 S N 1.461 117.136 115.700 -0.042 0.000 2.419 350 S HA -0.144 4.326 4.470 0.000 0.000 0.235 350 S C 1.893 176.467 174.600 -0.043 0.000 1.019 350 S CA 1.472 59.649 58.200 -0.038 0.000 0.982 350 S CB -0.440 62.739 63.200 -0.035 0.000 0.789 350 S HN 0.564 nan 8.310 nan 0.000 0.490 351 A N 0.649 123.437 122.820 -0.054 0.000 2.081 351 A HA 0.182 4.502 4.320 0.000 0.000 0.214 351 A C 2.201 179.731 177.584 -0.090 0.000 1.158 351 A CA 1.008 53.004 52.037 -0.067 0.000 0.724 351 A CB -0.548 18.407 19.000 -0.075 0.000 0.826 351 A HN 0.502 nan 8.150 nan 0.000 0.463 352 Q N 0.452 120.196 119.800 -0.094 0.000 2.083 352 Q HA -0.053 4.287 4.340 0.000 0.000 0.198 352 Q C 2.117 178.077 176.000 -0.067 0.000 0.969 352 Q CA 2.270 58.012 55.803 -0.102 0.000 0.838 352 Q CB -0.431 28.250 28.738 -0.096 0.000 0.900 352 Q HN 0.495 nan 8.270 nan 0.000 0.436 353 S N -0.341 115.329 115.700 -0.050 0.000 2.348 353 S HA -0.159 4.311 4.470 0.000 0.000 0.221 353 S C 1.984 176.566 174.600 -0.028 0.000 1.033 353 S CA 1.207 59.387 58.200 -0.034 0.000 1.010 353 S CB -0.783 62.400 63.200 -0.028 0.000 0.891 353 S HN 0.493 nan 8.310 nan 0.000 0.442 354 S N 1.059 116.740 115.700 -0.031 0.000 2.387 354 S HA -0.113 4.358 4.470 0.000 0.000 0.230 354 S C 1.822 176.409 174.600 -0.023 0.000 1.035 354 S CA 1.136 59.322 58.200 -0.023 0.000 1.014 354 S CB -0.429 62.756 63.200 -0.025 0.000 0.836 354 S HN 0.365 nan 8.310 nan 0.000 0.466 355 L N 1.638 122.839 121.223 -0.038 0.000 2.072 355 L HA 0.006 4.346 4.340 0.000 0.000 0.205 355 L C 1.687 178.546 176.870 -0.018 0.000 1.079 355 L CA 2.035 56.854 54.840 -0.035 0.000 0.752 355 L CB -0.818 41.202 42.059 -0.064 0.000 0.906 355 L HN 0.123 nan 8.230 nan 0.000 0.436 356 D N -0.023 120.365 120.400 -0.020 0.000 2.178 356 D HA -0.136 4.504 4.640 0.000 0.000 0.201 356 D C 2.122 178.426 176.300 0.006 0.000 0.980 356 D CA 1.349 55.346 54.000 -0.006 0.000 0.842 356 D CB -0.107 40.686 40.800 -0.011 0.000 0.948 356 D HN 0.522 nan 8.370 nan 0.000 0.472 357 A N 0.605 123.427 122.820 0.004 0.000 1.825 357 A HA -0.170 4.151 4.320 0.000 0.000 0.214 357 A C 2.097 179.698 177.584 0.028 0.000 1.206 357 A CA 1.520 53.564 52.037 0.013 0.000 0.609 357 A CB -0.669 18.335 19.000 0.007 0.000 0.851 357 A HN 0.037 nan 8.150 nan 0.000 0.445 358 M N 0.113 119.729 119.600 0.026 0.000 2.124 358 M HA -0.262 4.218 4.480 0.000 0.000 0.253 358 M C 1.856 178.202 176.300 0.076 0.000 1.077 358 M CA 2.097 57.424 55.300 0.044 0.000 1.085 358 M CB -1.077 31.535 32.600 0.019 0.000 1.320 358 M HN 0.597 nan 8.290 nan 0.000 0.404 359 E N -1.025 119.207 120.200 0.053 0.000 2.031 359 E HA -0.174 4.176 4.350 0.000 0.000 0.193 359 E C 2.053 178.715 176.600 0.103 0.000 0.994 359 E CA 1.291 57.736 56.400 0.075 0.000 0.800 359 E CB -0.301 29.425 29.700 0.043 0.000 0.752 359 E HN 0.577 nan 8.360 nan 0.000 0.447 360 A N 1.208 124.066 122.820 0.064 0.000 1.883 360 A HA -0.166 4.154 4.320 0.000 0.000 0.217 360 A C 2.433 180.051 177.584 0.056 0.000 1.186 360 A CA 2.007 54.074 52.037 0.050 0.000 0.624 360 A CB -1.306 17.712 19.000 0.029 0.000 0.822 360 A HN 0.385 nan 8.150 nan 0.000 0.444 361 G N -1.991 106.847 108.800 0.064 0.000 2.421 361 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 361 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 361 G C 1.549 176.492 174.900 0.073 0.000 1.171 361 G CA 1.226 46.360 45.100 0.057 0.000 0.775 361 G HN 0.555 nan 8.290 nan 0.000 0.543 362 Y N 2.705 123.007 120.300 0.003 0.000 2.193 362 Y HA -0.252 4.298 4.550 0.000 0.000 0.285 362 Y C 3.069 178.972 175.900 0.005 0.000 1.166 362 Y CA 1.794 59.897 58.100 0.005 0.000 1.181 362 Y CB -0.265 38.199 38.460 0.007 0.000 0.976 362 Y HN 0.324 nan 8.280 nan 0.000 0.520 363 S N -0.781 114.938 115.700 0.032 0.000 2.507 363 S HA -0.084 4.387 4.470 0.000 0.000 0.235 363 S C 1.121 175.669 174.600 -0.086 0.000 0.988 363 S CA 0.870 59.050 58.200 -0.033 0.000 0.944 363 S CB -0.861 62.359 63.200 0.032 0.000 0.762 363 S HN 0.436 nan 8.310 nan 0.000 0.526 364 V N -3.303 116.560 119.914 -0.084 0.000 2.909 364 V HA 0.765 4.886 4.120 0.000 0.000 0.362 364 V C 1.079 177.117 176.094 -0.093 0.000 1.356 364 V CA -0.261 61.994 62.300 -0.075 0.000 1.195 364 V CB -0.689 31.111 31.823 -0.037 0.000 1.256 364 V HN 0.567 nan 8.190 nan 0.000 0.567 365 G N 1.630 110.332 108.800 -0.164 0.000 2.200 365 G HA2 -0.398 3.562 3.960 0.000 0.000 0.267 365 G HA3 -0.398 3.562 3.960 0.000 0.000 0.267 365 G C 0.926 175.783 174.900 -0.071 0.000 0.993 365 G CA 1.769 46.778 45.100 -0.152 0.000 0.701 365 G HN 1.289 nan 8.290 nan 0.000 0.524 366 T N -3.738 110.793 114.554 -0.038 0.000 3.035 366 T HA 0.464 4.814 4.350 0.000 0.000 0.259 366 T C 1.108 175.826 174.700 0.030 0.000 1.078 366 T CA 1.239 63.337 62.100 -0.002 0.000 1.132 366 T CB 0.388 69.257 68.868 0.003 0.000 0.900 366 T HN 0.441 nan 8.240 nan 0.000 0.480 367 S N 1.649 117.389 115.700 0.067 0.000 2.482 367 S HA 0.571 5.041 4.470 0.000 0.000 0.303 367 S C -0.176 174.566 174.600 0.235 0.000 1.091 367 S CA -0.738 57.536 58.200 0.122 0.000 1.057 367 S CB 1.720 64.996 63.200 0.126 0.000 1.031 367 S HN 0.573 nan 8.310 nan 0.000 0.485 368 T N 1.365 116.026 114.554 0.178 0.000 2.918 368 T HA 0.185 4.535 4.350 0.000 0.000 0.302 368 T C 1.404 176.205 174.700 0.167 0.000 1.045 368 T CA -0.502 61.723 62.100 0.208 0.000 1.114 368 T CB 0.095 69.026 68.868 0.105 0.000 0.965 368 T HN 0.436 nan 8.240 nan 0.000 0.540 369 I N 4.718 125.362 120.570 0.122 0.000 2.264 369 I HA -0.091 4.079 4.170 0.000 0.000 0.248 369 I C 2.174 178.213 176.117 -0.130 0.000 1.111 369 I CA 1.485 62.633 61.300 -0.252 0.000 1.382 369 I CB -0.429 37.442 38.000 -0.216 0.000 1.060 369 I HN 0.665 nan 8.210 nan 0.000 0.418 370 V N 0.514 120.409 119.914 -0.032 0.000 2.392 370 V HA -0.301 3.820 4.120 0.000 0.000 0.249 370 V C 2.161 178.244 176.094 -0.018 0.000 1.059 370 V CA 2.199 64.488 62.300 -0.019 0.000 1.051 370 V CB -1.088 30.738 31.823 0.006 0.000 0.658 370 V HN 0.369 nan 8.190 nan 0.000 0.455 371 D N -0.029 120.369 120.400 -0.004 0.000 2.144 371 D HA -0.119 4.522 4.640 0.000 0.000 0.199 371 D C 2.086 178.375 176.300 -0.018 0.000 0.984 371 D CA 1.143 55.144 54.000 0.002 0.000 0.834 371 D CB -0.213 40.604 40.800 0.027 0.000 0.955 371 D HN 0.298 nan 8.370 nan 0.000 0.465 372 V N 0.526 120.408 119.914 -0.055 0.000 2.244 372 V HA -0.183 3.937 4.120 0.000 0.000 0.244 372 V C 2.491 178.548 176.094 -0.061 0.000 1.042 372 V CA 1.133 63.384 62.300 -0.081 0.000 1.006 372 V CB -0.574 31.129 31.823 -0.199 0.000 0.641 372 V HN 0.234 nan 8.190 nan 0.000 0.446 373 L N 0.081 121.259 121.223 -0.075 0.000 2.261 373 L HA -0.211 4.129 4.340 0.000 0.000 0.216 373 L C 2.041 178.908 176.870 -0.005 0.000 1.114 373 L CA 1.432 56.252 54.840 -0.034 0.000 0.777 373 L CB -0.677 41.359 42.059 -0.038 0.000 0.910 373 L HN 0.393 nan 8.230 nan 0.000 0.440 374 D N -0.249 120.145 120.400 -0.010 0.000 2.240 374 D HA -0.004 4.636 4.640 0.000 0.000 0.206 374 D C 2.232 178.530 176.300 -0.002 0.000 0.963 374 D CA 1.042 55.041 54.000 -0.000 0.000 0.863 374 D CB 0.109 40.909 40.800 -0.001 0.000 0.973 374 D HN 0.212 nan 8.370 nan 0.000 0.501 375 A N -0.058 122.756 122.820 -0.011 0.000 1.968 375 A HA -0.105 4.215 4.320 0.000 0.000 0.217 375 A C 2.236 179.804 177.584 -0.027 0.000 1.169 375 A CA 1.540 53.564 52.037 -0.021 0.000 0.638 375 A CB -0.746 18.240 19.000 -0.023 0.000 0.812 375 A HN 0.150 nan 8.150 nan 0.000 0.446 376 T N -0.450 114.104 114.554 -0.001 0.000 2.777 376 T HA -0.102 4.249 4.350 0.000 0.000 0.266 376 T C 2.023 176.777 174.700 0.090 0.000 1.040 376 T CA 1.981 64.109 62.100 0.045 0.000 1.141 376 T CB -0.388 68.535 68.868 0.091 0.000 0.868 376 T HN 0.515 nan 8.240 nan 0.000 0.444 377 T N 1.453 116.049 114.554 0.070 0.000 2.821 377 T HA -0.078 4.272 4.350 0.000 0.000 0.267 377 T C 2.227 176.953 174.700 0.044 0.000 1.046 377 T CA 1.390 63.536 62.100 0.077 0.000 1.139 377 T CB -0.481 68.416 68.868 0.047 0.000 0.871 377 T HN 0.377 nan 8.240 nan 0.000 0.454 378 T N 2.180 116.738 114.554 0.007 0.000 2.821 378 T HA -0.002 4.348 4.350 0.000 0.000 0.267 378 T C 1.869 176.538 174.700 -0.053 0.000 1.046 378 T CA 0.769 62.862 62.100 -0.012 0.000 1.139 378 T CB -0.353 68.504 68.868 -0.018 0.000 0.871 378 T HN 0.151 nan 8.240 nan 0.000 0.454 379 L N 0.119 121.267 121.223 -0.124 0.000 2.005 379 L HA -0.009 4.331 4.340 0.000 0.000 0.207 379 L C 1.566 178.237 176.870 -0.332 0.000 1.072 379 L CA 1.699 56.378 54.840 -0.269 0.000 0.744 379 L CB -0.631 41.169 42.059 -0.432 0.000 0.895 379 L HN 0.219 nan 8.230 nan 0.000 0.433 380 Y N 0.177 120.427 120.300 -0.084 0.000 2.542 380 Y HA -0.013 4.537 4.550 0.000 0.000 0.326 380 Y C 1.907 177.756 175.900 -0.085 0.000 1.218 380 Y CA 0.585 58.617 58.100 -0.112 0.000 1.277 380 Y CB -0.898 37.522 38.460 -0.067 0.000 1.064 380 Y HN 0.443 nan 8.280 nan 0.000 0.499 381 N N -1.253 117.457 118.700 0.016 0.000 2.684 381 N HA 0.048 4.788 4.740 0.000 0.000 0.220 381 N C 2.006 177.480 175.510 -0.059 0.000 1.037 381 N CA 0.630 53.682 53.050 0.003 0.000 0.975 381 N CB -0.026 38.470 38.487 0.015 0.000 1.426 381 N HN 0.194 nan 8.380 nan 0.000 0.450 382 A N 2.069 124.864 122.820 -0.043 0.000 1.997 382 A HA -0.214 4.106 4.320 0.000 0.000 0.221 382 A C 1.990 179.513 177.584 -0.101 0.000 1.172 382 A CA 1.549 53.581 52.037 -0.009 0.000 0.645 382 A CB -0.410 18.617 19.000 0.044 0.000 0.813 382 A HN 0.211 nan 8.150 nan 0.000 0.454 383 K N -0.935 119.366 120.400 -0.166 0.000 2.026 383 K HA -0.165 4.155 4.320 0.000 0.000 0.208 383 K C 2.410 178.925 176.600 -0.142 0.000 1.048 383 K CA 1.750 57.871 56.287 -0.277 0.000 0.929 383 K CB -0.182 31.995 32.500 -0.537 0.000 0.713 383 K HN 0.656 nan 8.250 nan 0.000 0.439 384 Q N 0.163 119.955 119.800 -0.014 0.000 2.083 384 Q HA -0.122 4.219 4.340 0.000 0.000 0.198 384 Q C 1.965 177.949 176.000 -0.027 0.000 0.969 384 Q CA 0.837 56.751 55.803 0.185 0.000 0.838 384 Q CB 0.112 28.961 28.738 0.184 0.000 0.900 384 Q HN 0.210 nan 8.270 nan 0.000 0.436 385 E N 0.913 120.975 120.200 -0.230 0.000 2.097 385 E HA -0.208 4.142 4.350 0.000 0.000 0.196 385 E C 2.040 178.338 176.600 -0.504 0.000 1.000 385 E CA 0.867 56.936 56.400 -0.553 0.000 0.804 385 E CB -0.242 28.722 29.700 -1.227 0.000 0.740 385 E HN 0.210 nan 8.360 nan 0.000 0.454 386 L N 0.808 121.837 121.223 -0.324 0.000 2.017 386 L HA -0.098 4.243 4.340 0.000 0.000 0.208 386 L C 2.244 179.031 176.870 -0.138 0.000 1.073 386 L CA 2.270 57.032 54.840 -0.130 0.000 0.745 386 L CB -0.839 41.195 42.059 -0.041 0.000 0.894 386 L HN 0.045 nan 8.230 nan 0.000 0.432 387 A N -0.315 122.469 122.820 -0.061 0.000 1.892 387 A HA -0.295 4.025 4.320 0.000 0.000 0.218 387 A C 2.310 179.806 177.584 -0.147 0.000 1.188 387 A CA 2.102 54.086 52.037 -0.088 0.000 0.631 387 A CB -1.075 18.013 19.000 0.146 0.000 0.822 387 A HN 0.672 nan 8.150 nan 0.000 0.447 388 N N 0.190 118.875 118.700 -0.025 0.000 2.120 388 N HA -0.135 4.605 4.740 0.000 0.000 0.188 388 N C 1.958 177.464 175.510 -0.007 0.000 1.024 388 N CA 1.554 54.631 53.050 0.045 0.000 0.852 388 N CB -0.326 38.161 38.487 -0.000 0.000 1.003 388 N HN 0.394 nan 8.380 nan 0.000 0.424 389 A N 1.610 124.388 122.820 -0.071 0.000 1.908 389 A HA -0.150 4.170 4.320 0.000 0.000 0.218 389 A C 2.324 179.886 177.584 -0.035 0.000 1.181 389 A CA 1.139 53.168 52.037 -0.014 0.000 0.627 389 A CB -0.517 18.503 19.000 0.034 0.000 0.818 389 A HN 0.321 nan 8.150 nan 0.000 0.445 390 R N -1.896 118.468 120.500 -0.227 0.000 2.083 390 R HA -0.170 4.170 4.340 0.000 0.000 0.237 390 R C 2.069 178.227 176.300 -0.236 0.000 1.137 390 R CA 1.915 57.772 56.100 -0.405 0.000 0.951 390 R CB -0.540 29.168 30.300 -0.987 0.000 0.851 390 R HN 0.655 nan 8.270 nan 0.000 0.434 391 Y N 0.847 121.057 120.300 -0.150 0.000 2.165 391 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 391 Y C 1.975 177.836 175.900 -0.066 0.000 1.155 391 Y CA 1.334 59.324 58.100 -0.183 0.000 1.164 391 Y CB -0.760 37.606 38.460 -0.158 0.000 0.978 391 Y HN 0.208 nan 8.280 nan 0.000 0.513 392 N N -1.298 117.490 118.700 0.147 0.000 2.149 392 N HA -0.267 4.473 4.740 0.000 0.000 0.188 392 N C 1.715 177.299 175.510 0.123 0.000 1.019 392 N CA 1.141 54.263 53.050 0.120 0.000 0.857 392 N CB -0.464 38.084 38.487 0.102 0.000 0.997 392 N HN 0.353 nan 8.380 nan 0.000 0.426 393 Y N 2.173 122.503 120.300 0.050 0.000 2.114 393 Y HA -0.160 4.390 4.550 0.000 0.000 0.284 393 Y C 2.040 177.985 175.900 0.076 0.000 1.143 393 Y CA 1.316 59.459 58.100 0.073 0.000 1.135 393 Y CB -0.497 38.043 38.460 0.133 0.000 0.980 393 Y HN -0.022 nan 8.280 nan 0.000 0.499 394 L N -0.348 120.889 121.223 0.023 0.000 2.013 394 L HA -0.290 4.051 4.340 0.000 0.000 0.212 394 L C 2.397 179.238 176.870 -0.049 0.000 1.073 394 L CA 1.246 56.043 54.840 -0.072 0.000 0.753 394 L CB -0.718 41.298 42.059 -0.072 0.000 0.890 394 L HN 0.314 nan 8.230 nan 0.000 0.432 395 I N -0.123 120.467 120.570 0.033 0.000 2.142 395 I HA -0.265 3.906 4.170 0.000 0.000 0.240 395 I C 2.269 178.382 176.117 -0.007 0.000 1.078 395 I CA 1.404 62.749 61.300 0.074 0.000 1.343 395 I CB -1.516 36.550 38.000 0.111 0.000 1.046 395 I HN 0.361 nan 8.210 nan 0.000 0.405 396 N N 0.980 119.655 118.700 -0.041 0.000 2.247 396 N HA -0.222 4.518 4.740 0.000 0.000 0.189 396 N C 1.809 177.257 175.510 -0.103 0.000 1.009 396 N CA 1.140 54.156 53.050 -0.057 0.000 0.872 396 N CB -0.149 38.309 38.487 -0.049 0.000 0.980 396 N HN 0.570 nan 8.380 nan 0.000 0.436 397 Q N 0.041 119.725 119.800 -0.193 0.000 2.016 397 Q HA -0.059 4.281 4.340 0.000 0.000 0.200 397 Q C 1.965 177.914 176.000 -0.086 0.000 0.978 397 Q CA 0.787 56.480 55.803 -0.184 0.000 0.833 397 Q CB -0.145 28.434 28.738 -0.265 0.000 0.895 397 Q HN 0.181 nan 8.270 nan 0.000 0.427 398 L N 1.684 122.873 121.223 -0.057 0.000 2.081 398 L HA -0.230 4.110 4.340 0.000 0.000 0.212 398 L C 1.885 178.739 176.870 -0.026 0.000 1.080 398 L CA 1.535 56.357 54.840 -0.031 0.000 0.754 398 L CB -0.875 41.184 42.059 -0.001 0.000 0.893 398 L HN 0.234 nan 8.230 nan 0.000 0.433 399 N N -0.391 118.298 118.700 -0.019 0.000 2.084 399 N HA -0.122 4.618 4.740 0.000 0.000 0.190 399 N C 1.983 177.488 175.510 -0.010 0.000 1.030 399 N CA 1.428 54.472 53.050 -0.010 0.000 0.849 399 N CB -0.235 38.252 38.487 -0.000 0.000 1.012 399 N HN 0.335 nan 8.380 nan 0.000 0.423 400 I N 1.119 121.683 120.570 -0.009 0.000 2.226 400 I HA -0.224 3.946 4.170 0.000 0.000 0.245 400 I C 2.281 178.391 176.117 -0.011 0.000 1.100 400 I CA 0.969 62.271 61.300 0.002 0.000 1.374 400 I CB -0.168 37.844 38.000 0.020 0.000 1.057 400 I HN 0.019 nan 8.210 nan 0.000 0.413 401 K N 0.518 120.905 120.400 -0.022 0.000 2.032 401 K HA -0.199 4.121 4.320 0.000 0.000 0.209 401 K C 2.367 178.951 176.600 -0.027 0.000 1.048 401 K CA 1.744 58.015 56.287 -0.027 0.000 0.927 401 K CB -0.599 31.879 32.500 -0.037 0.000 0.712 401 K HN 0.203 nan 8.250 nan 0.000 0.441 402 S N 0.439 116.123 115.700 -0.027 0.000 2.370 402 S HA -0.149 4.322 4.470 0.000 0.000 0.226 402 S C 1.998 176.586 174.600 -0.021 0.000 1.033 402 S CA 1.486 59.670 58.200 -0.026 0.000 1.011 402 S CB -0.187 62.999 63.200 -0.024 0.000 0.852 402 S HN 0.373 nan 8.310 nan 0.000 0.457 403 A N 1.094 123.903 122.820 -0.018 0.000 1.978 403 A HA 0.037 4.357 4.320 0.000 0.000 0.220 403 A C 2.121 179.690 177.584 -0.024 0.000 1.170 403 A CA 1.330 53.355 52.037 -0.019 0.000 0.636 403 A CB -0.629 18.363 19.000 -0.014 0.000 0.810 403 A HN 0.604 nan 8.150 nan 0.000 0.448 404 L N -1.633 119.577 121.223 -0.021 0.000 2.313 404 L HA 0.126 4.466 4.340 0.000 0.000 0.214 404 L C 1.658 178.517 176.870 -0.018 0.000 1.119 404 L CA 0.618 55.446 54.840 -0.021 0.000 0.809 404 L CB -0.448 41.599 42.059 -0.020 0.000 0.933 404 L HN 0.597 nan 8.230 nan 0.000 0.449 405 G N 0.844 109.632 108.800 -0.019 0.000 2.204 405 G HA2 -0.270 3.690 3.960 0.000 0.000 0.244 405 G HA3 -0.270 3.690 3.960 0.000 0.000 0.244 405 G C 0.551 175.441 174.900 -0.017 0.000 1.062 405 G CA 0.477 45.567 45.100 -0.017 0.000 0.798 405 G HN 0.396 nan 8.290 nan 0.000 0.496 406 T N -3.008 111.532 114.554 -0.022 0.000 3.332 406 T HA 0.504 4.854 4.350 0.000 0.000 0.304 406 T C 0.563 175.243 174.700 -0.034 0.000 0.971 406 T CA 0.263 62.349 62.100 -0.023 0.000 0.954 406 T CB 0.398 69.254 68.868 -0.019 0.000 1.175 406 T HN 1.155 nan 8.240 nan 0.000 0.519 407 L N 4.096 125.295 121.223 -0.041 0.000 2.477 407 L HA 0.554 4.894 4.340 0.000 0.000 0.272 407 L C -0.195 176.633 176.870 -0.069 0.000 1.157 407 L CA 0.267 55.073 54.840 -0.057 0.000 0.889 407 L CB -0.277 41.747 42.059 -0.059 0.000 1.158 407 L HN 0.693 nan 8.230 nan 0.000 0.473 408 N N 0.698 119.348 118.700 -0.084 0.000 3.157 408 N HA 0.246 4.986 4.740 0.000 0.000 0.291 408 N C 0.193 175.618 175.510 -0.143 0.000 1.515 408 N CA -0.476 52.519 53.050 -0.092 0.000 0.807 408 N CB 0.359 38.813 38.487 -0.055 0.000 1.672 408 N HN 0.496 nan 8.380 nan 0.000 0.592 409 E N -1.116 119.006 120.200 -0.131 0.000 2.267 409 E HA -0.247 4.103 4.350 0.000 0.000 0.197 409 E C 0.984 177.507 176.600 -0.128 0.000 0.998 409 E CA 1.418 57.718 56.400 -0.167 0.000 0.830 409 E CB 0.084 29.762 29.700 -0.038 0.000 0.751 409 E HN 0.449 nan 8.360 nan 0.000 0.491 410 Q N 0.641 120.391 119.800 -0.084 0.000 2.020 410 Q HA -0.136 4.204 4.340 0.000 0.000 0.198 410 Q C 1.739 177.696 176.000 -0.072 0.000 0.974 410 Q CA 1.218 56.985 55.803 -0.061 0.000 0.829 410 Q CB -0.280 28.433 28.738 -0.040 0.000 0.894 410 Q HN 0.423 nan 8.270 nan 0.000 0.433 411 D N 0.446 120.798 120.400 -0.080 0.000 2.271 411 D HA -0.150 4.490 4.640 0.000 0.000 0.207 411 D C 1.692 177.938 176.300 -0.091 0.000 0.983 411 D CA 0.594 54.550 54.000 -0.074 0.000 0.878 411 D CB 0.114 40.869 40.800 -0.075 0.000 0.920 411 D HN 0.094 nan 8.370 nan 0.000 0.479 412 L N 0.298 121.434 121.223 -0.145 0.000 2.554 412 L HA 0.024 4.364 4.340 0.000 0.000 0.226 412 L C 1.718 178.509 176.870 -0.132 0.000 1.137 412 L CA 0.562 55.289 54.840 -0.189 0.000 0.863 412 L CB 0.070 41.919 42.059 -0.351 0.000 0.985 412 L HN -0.064 nan 8.230 nan 0.000 0.451 413 L N -1.121 120.050 121.223 -0.087 0.000 2.286 413 L HA 0.285 4.626 4.340 0.000 0.000 0.203 413 L C 2.434 179.290 176.870 -0.024 0.000 1.068 413 L CA 1.535 56.345 54.840 -0.050 0.000 0.811 413 L CB -0.732 41.305 42.059 -0.037 0.000 0.989 413 L HN 0.121 nan 8.230 nan 0.000 0.467 414 A N -0.316 122.491 122.820 -0.023 0.000 1.986 414 A HA -0.183 4.137 4.320 0.000 0.000 0.220 414 A C 2.162 179.754 177.584 0.013 0.000 1.171 414 A CA 2.147 54.179 52.037 -0.008 0.000 0.640 414 A CB -0.785 18.206 19.000 -0.015 0.000 0.811 414 A HN 0.498 nan 8.150 nan 0.000 0.451 415 L N -1.391 119.846 121.223 0.024 0.000 2.249 415 L HA -0.023 4.317 4.340 0.000 0.000 0.207 415 L C 2.162 179.091 176.870 0.098 0.000 1.090 415 L CA 0.987 55.881 54.840 0.091 0.000 0.802 415 L CB -0.487 41.662 42.059 0.150 0.000 0.947 415 L HN 0.419 nan 8.230 nan 0.000 0.453 416 N N 0.808 119.523 118.700 0.025 0.000 2.588 416 N HA -0.176 4.564 4.740 0.000 0.000 0.190 416 N C 1.256 176.797 175.510 0.053 0.000 1.094 416 N CA 1.066 54.123 53.050 0.012 0.000 0.921 416 N CB -0.092 38.375 38.487 -0.033 0.000 0.959 416 N HN 0.407 nan 8.380 nan 0.000 0.448 417 N N -0.653 118.082 118.700 0.058 0.000 2.278 417 N HA 0.023 4.763 4.740 0.000 0.000 0.181 417 N C 1.305 176.866 175.510 0.084 0.000 1.023 417 N CA 0.736 53.821 53.050 0.057 0.000 0.862 417 N CB -0.128 38.380 38.487 0.035 0.000 1.003 417 N HN 0.193 nan 8.380 nan 0.000 0.431 418 A N 1.234 124.118 122.820 0.106 0.000 2.259 418 A HA 0.053 4.373 4.320 0.000 0.000 0.212 418 A C 0.795 178.493 177.584 0.189 0.000 1.178 418 A CA 0.551 52.673 52.037 0.142 0.000 0.734 418 A CB -0.540 18.557 19.000 0.162 0.000 0.774 418 A HN 0.161 nan 8.150 nan 0.000 0.481 419 L N -1.941 119.391 121.223 0.182 0.000 2.387 419 L HA 0.607 4.948 4.340 0.000 0.000 0.266 419 L C 1.111 178.069 176.870 0.147 0.000 1.059 419 L CA 0.074 55.038 54.840 0.207 0.000 0.801 419 L CB 1.616 43.812 42.059 0.230 0.000 1.223 419 L HN 0.322 nan 8.230 nan 0.000 0.456 420 S N -0.438 115.348 115.700 0.142 0.000 6.884 420 S HA 0.036 4.506 4.470 0.000 0.000 0.076 420 S C -0.752 173.906 174.600 0.097 0.000 1.403 420 S CA -0.460 57.803 58.200 0.106 0.000 1.134 420 S CB -0.186 63.069 63.200 0.091 0.000 1.550 420 S HN 0.524 nan 8.310 nan 0.000 0.558 421 K N 3.241 123.694 120.400 0.088 0.000 2.366 421 K HA 0.123 4.443 4.320 0.000 0.000 0.272 421 K C -2.727 173.919 176.600 0.076 0.000 1.151 421 K CA -0.317 56.014 56.287 0.073 0.000 1.173 421 K CB 0.064 32.603 32.500 0.065 0.000 0.853 421 K HN 0.244 nan 8.250 nan 0.000 0.473 422 P HA -0.046 nan 4.420 nan 0.000 0.269 422 P C -0.629 176.700 177.300 0.048 0.000 1.252 422 P CA -0.261 62.879 63.100 0.066 0.000 0.780 422 P CB 0.582 32.321 31.700 0.064 0.000 0.829 423 V N 1.297 121.235 119.914 0.039 0.000 2.630 423 V HA 0.624 4.744 4.120 0.000 0.000 0.305 423 V C 0.285 176.384 176.094 0.008 0.000 1.046 423 V CA -0.848 61.463 62.300 0.018 0.000 0.934 423 V CB 1.888 33.715 31.823 0.006 0.000 1.003 423 V HN 0.384 nan 8.190 nan 0.000 0.451 424 S N 1.882 117.584 115.700 0.003 0.000 2.592 424 S HA 0.338 4.809 4.470 0.000 0.000 0.271 424 S C 1.166 175.758 174.600 -0.015 0.000 1.326 424 S CA 0.264 58.465 58.200 0.002 0.000 1.024 424 S CB 1.111 64.311 63.200 0.001 0.000 0.921 424 S HN 1.461 nan 8.310 nan 0.000 0.527 425 T N 0.695 115.246 114.554 -0.006 0.000 3.054 425 T HA 0.222 4.573 4.350 0.000 0.000 0.255 425 T C 0.251 174.943 174.700 -0.012 0.000 1.035 425 T CA -0.308 61.782 62.100 -0.017 0.000 0.941 425 T CB -0.446 68.427 68.868 0.008 0.000 1.026 425 T HN 0.502 nan 8.240 nan 0.000 0.533 426 N N 3.363 122.057 118.700 -0.010 0.000 2.422 426 N HA 0.346 5.086 4.740 0.000 0.000 0.266 426 N C -2.781 172.715 175.510 -0.025 0.000 1.007 426 N CA -2.250 50.790 53.050 -0.018 0.000 0.941 426 N CB 1.587 40.064 38.487 -0.017 0.000 1.115 426 N HN 0.010 nan 8.380 nan 0.000 0.492 427 P HA 0.148 nan 4.420 nan 0.000 0.231 427 P C -0.938 176.343 177.300 -0.032 0.000 1.811 427 P CA -0.198 62.881 63.100 -0.034 0.000 1.051 427 P CB -0.120 31.557 31.700 -0.038 0.000 1.951 428 E N 0.000 120.183 120.200 -0.028 0.000 2.725 428 E HA 0.000 4.350 4.350 0.000 0.000 0.291 428 E CA 0.000 56.385 56.400 -0.026 0.000 0.976 428 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440