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 2xmn_1_C 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 GFSVGTSTIV 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 0.000 176.656 176.600 0.094 0.000 1.382 1 E CA 0.000 56.457 56.400 0.095 0.000 0.976 1 E CB 0.000 29.771 29.700 0.118 0.000 0.812 2 N N 0.323 119.068 118.700 0.076 0.000 2.418 2 N HA 0.162 4.902 4.740 0.001 0.000 0.283 2 N C 0.638 176.076 175.510 -0.119 0.000 1.267 2 N CA -0.612 52.472 53.050 0.058 0.000 0.975 2 N CB 0.123 38.624 38.487 0.022 0.000 1.167 2 N HN 0.446 nan 8.380 nan 0.000 0.581 3 L N -0.533 120.427 121.223 -0.439 0.000 1.989 3 L HA -0.080 4.260 4.340 0.001 0.000 0.211 3 L C 2.103 178.797 176.870 -0.293 0.000 1.071 3 L CA 1.784 56.172 54.840 -0.753 0.000 0.749 3 L CB -0.934 40.674 42.059 -0.751 0.000 0.890 3 L HN 0.512 nan 8.230 nan 0.000 0.431 4 M N -0.821 118.690 119.600 -0.149 0.000 2.110 4 M HA -0.305 4.176 4.480 0.001 0.000 0.257 4 M C 2.295 178.620 176.300 0.042 0.000 1.071 4 M CA 1.950 57.241 55.300 -0.015 0.000 1.096 4 M CB -1.365 31.233 32.600 -0.002 0.000 1.300 4 M HN 0.418 nan 8.290 nan 0.000 0.411 5 Q N -0.684 119.126 119.800 0.015 0.000 2.181 5 Q HA -0.136 4.205 4.340 0.001 0.000 0.205 5 Q C 2.105 178.136 176.000 0.052 0.000 0.980 5 Q CA 1.428 57.257 55.803 0.042 0.000 0.862 5 Q CB -0.225 28.546 28.738 0.056 0.000 0.905 5 Q HN 0.391 nan 8.270 nan 0.000 0.429 6 V N 0.018 119.935 119.914 0.005 0.000 2.229 6 V HA -0.287 3.834 4.120 0.001 0.000 0.243 6 V C 1.888 178.007 176.094 0.042 0.000 1.042 6 V CA 1.989 64.291 62.300 0.005 0.000 1.000 6 V CB -0.988 30.756 31.823 -0.132 0.000 0.637 6 V HN 0.352 nan 8.190 nan 0.000 0.446 7 Y N 1.379 121.625 120.300 -0.089 0.000 2.029 7 Y HA -0.396 4.155 4.550 0.001 0.000 0.269 7 Y C 2.707 178.586 175.900 -0.035 0.000 1.201 7 Y CA 2.434 60.489 58.100 -0.076 0.000 1.115 7 Y CB -0.681 37.712 38.460 -0.112 0.000 0.945 7 Y HN 0.315 nan 8.280 nan 0.000 0.497 8 Q N -0.397 119.295 119.800 -0.180 0.000 2.096 8 Q HA -0.290 4.051 4.340 0.001 0.000 0.204 8 Q C 2.292 178.168 176.000 -0.208 0.000 0.982 8 Q CA 2.054 57.701 55.803 -0.260 0.000 0.850 8 Q CB -0.313 28.401 28.738 -0.039 0.000 0.901 8 Q HN 0.695 nan 8.270 nan 0.000 0.422 9 Q N -0.494 119.251 119.800 -0.092 0.000 2.291 9 Q HA -0.075 4.266 4.340 0.001 0.000 0.205 9 Q C 1.851 177.801 176.000 -0.084 0.000 0.970 9 Q CA 1.010 56.784 55.803 -0.049 0.000 0.876 9 Q CB 0.032 28.792 28.738 0.038 0.000 0.935 9 Q HN 0.352 nan 8.270 nan 0.000 0.455 10 A N 0.754 123.495 122.820 -0.132 0.000 1.975 10 A HA -0.077 4.243 4.320 0.001 0.000 0.215 10 A C 1.959 179.427 177.584 -0.193 0.000 1.170 10 A CA 0.420 52.381 52.037 -0.128 0.000 0.656 10 A CB -0.239 18.710 19.000 -0.086 0.000 0.821 10 A HN 0.136 nan 8.150 nan 0.000 0.449 11 R N 0.203 120.487 120.500 -0.360 0.000 2.117 11 R HA -0.112 4.228 4.340 0.001 0.000 0.243 11 R C 1.384 177.592 176.300 -0.153 0.000 1.143 11 R CA 1.645 57.550 56.100 -0.325 0.000 0.968 11 R CB -0.398 29.614 30.300 -0.480 0.000 0.863 11 R HN 0.561 nan 8.270 nan 0.000 0.444 12 L N 0.077 121.223 121.223 -0.129 0.000 2.599 12 L HA 0.025 4.366 4.340 0.001 0.000 0.230 12 L C 1.625 178.464 176.870 -0.052 0.000 1.141 12 L CA 0.839 55.635 54.840 -0.072 0.000 0.877 12 L CB 0.091 42.113 42.059 -0.062 0.000 1.009 12 L HN 0.267 nan 8.230 nan 0.000 0.447 13 S N -3.279 112.386 115.700 -0.058 0.000 2.617 13 S HA 0.028 4.498 4.470 0.001 0.000 0.278 13 S C 0.634 175.212 174.600 -0.036 0.000 1.082 13 S CA -0.506 57.669 58.200 -0.043 0.000 1.228 13 S CB -0.259 62.913 63.200 -0.047 0.000 1.130 13 S HN 0.260 nan 8.310 nan 0.000 0.621 14 N N 5.109 123.785 118.700 -0.041 0.000 2.418 14 N HA 0.165 4.905 4.740 0.001 0.000 0.277 14 N C -1.531 173.975 175.510 -0.007 0.000 1.317 14 N CA -1.267 51.767 53.050 -0.027 0.000 0.922 14 N CB 0.920 39.389 38.487 -0.031 0.000 1.194 14 N HN 0.204 nan 8.380 nan 0.000 0.485 15 P HA -0.029 nan 4.420 nan 0.000 0.242 15 P C 0.257 177.565 177.300 0.013 0.000 1.197 15 P CA 0.711 63.812 63.100 0.003 0.000 0.765 15 P CB 0.543 32.240 31.700 -0.004 0.000 0.936 16 E N -0.239 119.968 120.200 0.010 0.000 2.086 16 E HA -0.031 4.319 4.350 0.001 0.000 0.190 16 E C 1.816 178.437 176.600 0.035 0.000 0.975 16 E CA 0.600 57.010 56.400 0.017 0.000 0.813 16 E CB -0.983 28.722 29.700 0.007 0.000 0.768 16 E HN 0.128 nan 8.360 nan 0.000 0.457 17 L N 0.095 121.339 121.223 0.035 0.000 2.209 17 L HA 0.083 4.423 4.340 0.001 0.000 0.207 17 L C 1.901 178.865 176.870 0.157 0.000 1.094 17 L CA 1.253 56.135 54.840 0.070 0.000 0.790 17 L CB 0.057 42.127 42.059 0.019 0.000 0.932 17 L HN -0.099 nan 8.230 nan 0.000 0.447 18 R N -0.386 120.168 120.500 0.091 0.000 2.115 18 R HA -0.169 4.171 4.340 0.001 0.000 0.230 18 R C 2.215 178.555 176.300 0.066 0.000 1.111 18 R CA 1.546 57.691 56.100 0.076 0.000 0.976 18 R CB -0.161 30.159 30.300 0.033 0.000 0.870 18 R HN 0.308 nan 8.270 nan 0.000 0.445 19 K N 0.128 120.564 120.400 0.060 0.000 2.001 19 K HA -0.103 4.218 4.320 0.001 0.000 0.208 19 K C 2.098 178.746 176.600 0.079 0.000 1.048 19 K CA 1.900 58.218 56.287 0.052 0.000 0.932 19 K CB -0.369 32.154 32.500 0.039 0.000 0.715 19 K HN -0.037 nan 8.250 nan 0.000 0.437 20 S N -0.438 115.339 115.700 0.127 0.000 2.423 20 S HA -0.198 4.272 4.470 0.001 0.000 0.238 20 S C 1.837 176.559 174.600 0.203 0.000 1.028 20 S CA 1.386 59.704 58.200 0.196 0.000 1.000 20 S CB -0.464 62.894 63.200 0.263 0.000 0.797 20 S HN 0.513 nan 8.310 nan 0.000 0.487 21 A N 0.714 123.613 122.820 0.131 0.000 1.930 21 A HA 0.415 4.735 4.320 0.001 0.000 0.215 21 A C 2.403 179.919 177.584 -0.113 0.000 1.176 21 A CA 1.362 53.295 52.037 -0.173 0.000 0.632 21 A CB -1.155 17.760 19.000 -0.141 0.000 0.819 21 A HN 0.717 nan 8.150 nan 0.000 0.445 22 A N 0.026 122.830 122.820 -0.028 0.000 2.015 22 A HA -0.108 4.213 4.320 0.001 0.000 0.219 22 A C 1.606 179.190 177.584 -0.000 0.000 1.163 22 A CA 1.727 53.753 52.037 -0.018 0.000 0.646 22 A CB -0.400 18.599 19.000 -0.003 0.000 0.806 22 A HN 0.443 nan 8.150 nan 0.000 0.448 23 D N -0.690 119.720 120.400 0.018 0.000 2.123 23 D HA -0.095 4.545 4.640 0.001 0.000 0.200 23 D C 2.108 178.435 176.300 0.046 0.000 0.976 23 D CA 0.695 54.715 54.000 0.034 0.000 0.831 23 D CB -0.314 40.516 40.800 0.051 0.000 0.974 23 D HN 0.280 nan 8.370 nan 0.000 0.469 24 R N 1.022 121.546 120.500 0.040 0.000 2.081 24 R HA -0.125 4.216 4.340 0.001 0.000 0.235 24 R C 1.129 177.518 176.300 0.147 0.000 1.131 24 R CA 1.213 57.370 56.100 0.095 0.000 0.960 24 R CB -0.244 30.036 30.300 -0.032 0.000 0.856 24 R HN 0.078 nan 8.270 nan 0.000 0.436 25 D N 0.243 120.655 120.400 0.019 0.000 2.123 25 D HA -0.127 4.513 4.640 0.001 0.000 0.196 25 D C 1.707 178.050 176.300 0.072 0.000 0.992 25 D CA 1.615 55.627 54.000 0.019 0.000 0.833 25 D CB -0.241 40.534 40.800 -0.042 0.000 0.954 25 D HN 0.332 nan 8.370 nan 0.000 0.455 26 A N 0.867 123.717 122.820 0.049 0.000 1.898 26 A HA 0.044 4.365 4.320 0.001 0.000 0.216 26 A C 2.301 179.911 177.584 0.044 0.000 1.181 26 A CA 1.971 54.031 52.037 0.038 0.000 0.620 26 A CB -0.716 18.295 19.000 0.017 0.000 0.819 26 A HN 0.221 nan 8.150 nan 0.000 0.442 27 A N -1.230 121.618 122.820 0.045 0.000 1.933 27 A HA -0.030 4.290 4.320 0.001 0.000 0.218 27 A C 1.958 179.501 177.584 -0.069 0.000 1.175 27 A CA 1.521 53.540 52.037 -0.029 0.000 0.628 27 A CB -0.712 18.248 19.000 -0.066 0.000 0.814 27 A HN 0.467 nan 8.150 nan 0.000 0.444 28 F N -0.367 119.567 119.950 -0.027 0.000 2.163 28 F HA -0.062 4.466 4.527 0.001 0.000 0.297 28 F C 2.385 178.170 175.800 -0.025 0.000 1.094 28 F CA 1.630 59.615 58.000 -0.025 0.000 1.290 28 F CB -0.212 38.769 39.000 -0.032 0.000 1.017 28 F HN 0.314 nan 8.300 nan 0.000 0.483 29 E N 1.042 121.329 120.200 0.145 0.000 2.110 29 E HA -0.234 4.116 4.350 0.001 0.000 0.193 29 E C 1.999 178.616 176.600 0.027 0.000 0.988 29 E CA 1.367 57.809 56.400 0.070 0.000 0.804 29 E CB -0.314 29.411 29.700 0.042 0.000 0.745 29 E HN 0.209 nan 8.360 nan 0.000 0.458 30 K N 0.065 120.469 120.400 0.007 0.000 2.360 30 K HA -0.089 4.231 4.320 0.001 0.000 0.201 30 K C 1.878 178.454 176.600 -0.039 0.000 1.046 30 K CA 0.897 57.171 56.287 -0.023 0.000 0.945 30 K CB -0.181 32.298 32.500 -0.034 0.000 0.750 30 K HN 0.244 nan 8.250 nan 0.000 0.464 31 I N 1.229 121.775 120.570 -0.040 0.000 2.151 31 I HA -0.377 3.793 4.170 0.001 0.000 0.243 31 I C 1.725 177.822 176.117 -0.034 0.000 1.080 31 I CA 1.689 62.962 61.300 -0.044 0.000 1.339 31 I CB -0.534 37.448 38.000 -0.029 0.000 1.039 31 I HN 0.314 nan 8.210 nan 0.000 0.409 32 N N 0.582 119.273 118.700 -0.016 0.000 2.037 32 N HA -0.311 4.429 4.740 0.001 0.000 0.196 32 N C 1.806 177.292 175.510 -0.040 0.000 1.034 32 N CA 1.813 54.849 53.050 -0.023 0.000 0.861 32 N CB -0.292 38.190 38.487 -0.008 0.000 1.039 32 N HN 0.513 nan 8.380 nan 0.000 0.427 33 E N 0.923 121.101 120.200 -0.038 0.000 2.265 33 E HA -0.115 4.235 4.350 0.001 0.000 0.196 33 E C 1.714 178.276 176.600 -0.063 0.000 0.996 33 E CA 1.007 57.379 56.400 -0.046 0.000 0.832 33 E CB -0.008 29.669 29.700 -0.037 0.000 0.756 33 E HN 0.400 nan 8.360 nan 0.000 0.491 34 A N 1.217 123.996 122.820 -0.068 0.000 2.021 34 A HA 0.002 4.322 4.320 0.001 0.000 0.216 34 A C 2.202 179.713 177.584 -0.122 0.000 1.163 34 A CA 0.919 52.905 52.037 -0.086 0.000 0.676 34 A CB -0.355 18.599 19.000 -0.076 0.000 0.818 34 A HN 0.260 nan 8.150 nan 0.000 0.453 35 R N 0.536 120.966 120.500 -0.117 0.000 2.193 35 R HA -0.078 4.262 4.340 0.001 0.000 0.213 35 R C 2.212 178.410 176.300 -0.170 0.000 1.055 35 R CA 1.564 57.567 56.100 -0.162 0.000 0.995 35 R CB -0.268 29.962 30.300 -0.115 0.000 0.893 35 R HN 0.571 nan 8.270 nan 0.000 0.459 36 S N 0.818 116.446 115.700 -0.121 0.000 2.370 36 S HA 0.004 4.475 4.470 0.001 0.000 0.226 36 S C -0.932 173.597 174.600 -0.119 0.000 1.033 36 S CA 0.596 58.734 58.200 -0.103 0.000 1.011 36 S CB -1.055 62.102 63.200 -0.071 0.000 0.852 36 S HN 0.282 nan 8.310 nan 0.000 0.457 37 P HA 0.096 nan 4.420 nan 0.000 0.231 37 P C 0.842 178.037 177.300 -0.175 0.000 1.158 37 P CA 0.462 63.481 63.100 -0.136 0.000 0.763 37 P CB -0.097 31.520 31.700 -0.137 0.000 0.805 38 L N -2.523 118.554 121.223 -0.244 0.000 2.592 38 L HA 0.139 4.480 4.340 0.001 0.000 0.227 38 L C 0.840 177.607 176.870 -0.172 0.000 1.127 38 L CA 0.582 55.239 54.840 -0.306 0.000 0.884 38 L CB -0.872 40.842 42.059 -0.575 0.000 1.065 38 L HN -0.089 nan 8.230 nan 0.000 0.457 39 L N -1.182 119.967 121.223 -0.124 0.000 2.397 39 L HA 0.476 4.816 4.340 0.001 0.000 0.266 39 L C -2.087 174.756 176.870 -0.046 0.000 1.040 39 L CA -1.754 53.044 54.840 -0.070 0.000 0.800 39 L CB 0.042 42.063 42.059 -0.063 0.000 1.324 39 L HN -0.220 nan 8.230 nan 0.000 0.469 40 P HA 0.167 nan 4.420 nan 0.000 0.276 40 P C -1.393 175.894 177.300 -0.021 0.000 1.243 40 P CA -0.410 62.680 63.100 -0.017 0.000 0.768 40 P CB 0.537 32.233 31.700 -0.007 0.000 0.856 41 Q N 2.652 122.440 119.800 -0.020 0.000 2.274 41 Q HA 0.427 4.767 4.340 0.001 0.000 0.256 41 Q C -0.730 175.263 176.000 -0.012 0.000 0.927 41 Q CA -0.461 55.330 55.803 -0.020 0.000 0.939 41 Q CB 1.583 30.307 28.738 -0.023 0.000 1.201 41 Q HN 0.344 nan 8.270 nan 0.000 0.426 42 L N 1.848 123.064 121.223 -0.011 0.000 2.427 42 L HA 0.631 4.972 4.340 0.001 0.000 0.264 42 L C -0.437 176.430 176.870 -0.006 0.000 0.989 42 L CA -0.091 54.745 54.840 -0.007 0.000 0.865 42 L CB 1.471 43.527 42.059 -0.005 0.000 1.209 42 L HN 0.619 nan 8.230 nan 0.000 0.430 43 G N 3.411 112.208 108.800 -0.005 0.000 2.667 43 G HA2 0.675 4.635 3.960 0.001 0.000 0.310 43 G HA3 0.675 4.635 3.960 0.001 0.000 0.310 43 G C -1.828 173.071 174.900 -0.001 0.000 1.259 43 G CA -0.715 44.383 45.100 -0.004 0.000 1.019 43 G HN 0.606 nan 8.290 nan 0.000 0.496 44 L N 0.272 121.495 121.223 0.000 0.000 2.482 44 L HA 0.729 5.069 4.340 0.001 0.000 0.269 44 L C -0.105 176.768 176.870 0.004 0.000 0.967 44 L CA -0.398 54.443 54.840 0.002 0.000 0.851 44 L CB 1.848 43.908 42.059 0.002 0.000 1.242 44 L HN 0.761 nan 8.230 nan 0.000 0.404 45 G N 3.545 112.349 108.800 0.006 0.000 2.590 45 G HA2 0.765 4.726 3.960 0.001 0.000 0.310 45 G HA3 0.765 4.726 3.960 0.001 0.000 0.310 45 G C -1.495 173.413 174.900 0.013 0.000 1.347 45 G CA -0.260 44.846 45.100 0.009 0.000 0.963 45 G HN 0.830 nan 8.290 nan 0.000 0.494 46 A N 2.269 125.101 122.820 0.020 0.000 2.330 46 A HA 0.755 5.075 4.320 0.001 0.000 0.313 46 A C -1.156 176.453 177.584 0.042 0.000 1.124 46 A CA -0.738 51.316 52.037 0.029 0.000 0.774 46 A CB 1.465 20.485 19.000 0.032 0.000 1.198 46 A HN 0.576 nan 8.150 nan 0.000 0.465 47 D N 1.356 121.783 120.400 0.045 0.000 2.440 47 D HA 0.333 4.974 4.640 0.001 0.000 0.252 47 D C -0.964 175.378 176.300 0.070 0.000 1.180 47 D CA -0.027 54.004 54.000 0.052 0.000 0.894 47 D CB 0.985 41.795 40.800 0.016 0.000 1.111 47 D HN 0.523 nan 8.370 nan 0.000 0.544 48 Y N 1.992 122.295 120.300 0.005 0.000 2.359 48 Y HA 0.433 4.983 4.550 0.001 0.000 0.330 48 Y C -0.477 175.435 175.900 0.021 0.000 1.143 48 Y CA 0.394 58.500 58.100 0.010 0.000 1.318 48 Y CB 0.914 39.381 38.460 0.012 0.000 1.234 48 Y HN 0.223 nan 8.280 nan 0.000 0.522 49 T N 6.853 120.901 114.554 -0.843 0.000 2.952 49 T HA 0.204 4.555 4.350 0.001 0.000 0.305 49 T C -2.141 172.196 174.700 -0.605 0.000 1.064 49 T CA -0.547 61.242 62.100 -0.519 0.000 1.008 49 T CB 0.690 69.406 68.868 -0.252 0.000 1.078 49 T HN 0.537 nan 8.240 nan 0.000 0.459 50 Y N 2.377 122.452 120.300 -0.375 0.000 2.345 50 Y HA 0.608 5.158 4.550 0.001 0.000 0.331 50 Y C -0.356 175.487 175.900 -0.095 0.000 0.959 50 Y CA -0.474 57.507 58.100 -0.197 0.000 1.204 50 Y CB 0.901 39.362 38.460 0.001 0.000 1.135 50 Y HN 0.597 nan 8.280 nan 0.000 0.477 51 S N 4.851 120.137 115.700 -0.691 0.000 2.617 51 S HA 0.354 4.824 4.470 0.001 0.000 0.283 51 S C -0.968 173.126 174.600 -0.844 0.000 1.189 51 S CA -0.891 56.957 58.200 -0.587 0.000 1.036 51 S CB 1.063 64.076 63.200 -0.313 0.000 1.014 51 S HN 0.717 nan 8.310 nan 0.000 0.522 52 N N 1.065 119.476 118.700 -0.483 0.000 2.581 52 N HA 0.279 5.019 4.740 0.001 0.000 0.279 52 N C -0.329 175.107 175.510 -0.124 0.000 1.124 52 N CA -0.388 52.496 53.050 -0.278 0.000 0.833 52 N CB 1.001 39.422 38.487 -0.111 0.000 1.338 52 N HN 0.725 nan 8.380 nan 0.000 0.533 53 G N 2.144 110.887 108.800 -0.095 0.000 2.441 53 G HA2 0.375 4.336 3.960 0.001 0.000 0.243 53 G HA3 0.375 4.336 3.960 0.001 0.000 0.243 53 G C -0.774 174.134 174.900 0.014 0.000 1.281 53 G CA 0.227 45.271 45.100 -0.092 0.000 0.854 53 G HN 0.614 nan 8.290 nan 0.000 0.560 54 Y N -0.157 120.138 120.300 -0.009 0.000 2.689 54 Y HA 0.777 5.327 4.550 0.001 0.000 0.333 54 Y C 0.576 176.475 175.900 -0.001 0.000 1.190 54 Y CA -1.787 56.311 58.100 -0.003 0.000 1.063 54 Y CB 0.636 39.096 38.460 0.001 0.000 1.294 54 Y HN 0.865 nan 8.280 nan 0.000 0.466 55 R N -0.808 119.914 120.500 0.370 0.000 3.878 55 R HA -0.236 4.104 4.340 0.001 0.000 0.446 55 R C -0.101 176.250 176.300 0.084 0.000 0.241 55 R CA 1.431 57.646 56.100 0.192 0.000 1.411 55 R CB -1.495 28.923 30.300 0.196 0.000 1.019 55 R HN 0.915 nan 8.270 nan 0.000 0.555 56 D N 0.372 120.801 120.400 0.049 0.000 2.429 56 D HA 0.067 4.708 4.640 0.001 0.000 0.237 56 D C 0.726 177.035 176.300 0.015 0.000 1.045 56 D CA 1.445 55.460 54.000 0.026 0.000 0.974 56 D CB -0.107 40.704 40.800 0.017 0.000 0.871 56 D HN 0.517 nan 8.370 nan 0.000 0.525 57 A N -0.122 122.706 122.820 0.013 0.000 2.628 57 A HA 0.054 4.374 4.320 0.001 0.000 0.267 57 A C 0.702 178.294 177.584 0.013 0.000 1.159 57 A CA -0.497 51.539 52.037 -0.001 0.000 0.972 57 A CB 0.052 19.029 19.000 -0.038 0.000 1.211 57 A HN 0.043 nan 8.150 nan 0.000 0.576 58 N N 1.487 120.214 118.700 0.046 0.000 2.394 58 N HA 0.281 5.022 4.740 0.001 0.000 0.277 58 N C 1.145 176.667 175.510 0.019 0.000 1.346 58 N CA 1.906 54.992 53.050 0.060 0.000 0.910 58 N CB -0.153 38.375 38.487 0.068 0.000 1.201 58 N HN 0.880 nan 8.380 nan 0.000 0.488 59 G N 2.992 111.802 108.800 0.016 0.000 2.184 59 G HA2 -0.193 3.767 3.960 0.001 0.000 0.206 59 G HA3 -0.193 3.767 3.960 0.001 0.000 0.206 59 G C 0.053 174.929 174.900 -0.040 0.000 0.995 59 G CA -0.087 45.006 45.100 -0.011 0.000 0.651 59 G HN 0.550 nan 8.290 nan 0.000 0.511 60 I N 1.879 122.434 120.570 -0.025 0.000 2.312 60 I HA 0.372 4.543 4.170 0.001 0.000 0.290 60 I C -0.132 176.009 176.117 0.039 0.000 1.008 60 I CA -0.544 60.756 61.300 0.000 0.000 1.226 60 I CB 1.135 39.160 38.000 0.041 0.000 1.371 60 I HN 0.132 nan 8.210 nan 0.000 0.468 61 N N 4.081 122.827 118.700 0.077 0.000 2.265 61 N HA 0.657 5.397 4.740 0.001 0.000 0.300 61 N C -1.288 174.247 175.510 0.042 0.000 1.148 61 N CA -0.793 52.267 53.050 0.016 0.000 0.772 61 N CB 2.326 40.857 38.487 0.073 0.000 1.434 61 N HN 0.547 nan 8.380 nan 0.000 0.481 62 S N 0.337 115.961 115.700 -0.127 0.000 2.540 62 S HA 0.476 4.946 4.470 0.001 0.000 0.275 62 S C -1.378 173.135 174.600 -0.145 0.000 1.123 62 S CA -1.061 57.017 58.200 -0.202 0.000 0.907 62 S CB 1.312 64.313 63.200 -0.332 0.000 1.081 62 S HN 0.522 nan 8.310 nan 0.000 0.476 63 N N 0.970 119.611 118.700 -0.098 0.000 2.518 63 N HA 0.673 5.414 4.740 0.001 0.000 0.254 63 N C -0.842 174.560 175.510 -0.180 0.000 0.979 63 N CA -0.320 52.702 53.050 -0.047 0.000 0.930 63 N CB 1.693 40.260 38.487 0.133 0.000 1.152 63 N HN 0.919 nan 8.380 nan 0.000 0.505 64 A N 1.481 124.122 122.820 -0.298 0.000 2.340 64 A HA 0.844 5.165 4.320 0.001 0.000 0.331 64 A C -0.332 177.124 177.584 -0.212 0.000 1.140 64 A CA -0.458 51.438 52.037 -0.236 0.000 0.801 64 A CB 1.190 20.057 19.000 -0.223 0.000 1.234 64 A HN 0.397 nan 8.150 nan 0.000 0.469 65 T N 1.305 115.811 114.554 -0.080 0.000 2.991 65 T HA 0.621 4.971 4.350 0.001 0.000 0.303 65 T C -0.574 174.125 174.700 -0.000 0.000 1.015 65 T CA -0.132 61.972 62.100 0.007 0.000 1.007 65 T CB 1.046 69.966 68.868 0.087 0.000 1.034 65 T HN 1.255 nan 8.240 nan 0.000 0.446 66 S N 2.061 117.765 115.700 0.007 0.000 2.570 66 S HA 0.976 5.446 4.470 0.001 0.000 0.286 66 S C -0.932 173.678 174.600 0.016 0.000 1.099 66 S CA -0.843 57.360 58.200 0.005 0.000 0.913 66 S CB 2.156 65.351 63.200 -0.009 0.000 1.085 66 S HN 1.028 nan 8.310 nan 0.000 0.480 67 A N 1.166 123.994 122.820 0.013 0.000 2.572 67 A HA 0.955 5.276 4.320 0.001 0.000 0.295 67 A C -0.627 176.963 177.584 0.009 0.000 1.072 67 A CA -0.618 51.427 52.037 0.014 0.000 0.691 67 A CB 1.475 20.485 19.000 0.016 0.000 1.291 67 A HN 2.003 nan 8.150 nan 0.000 0.404 68 S N -0.183 115.522 115.700 0.008 0.000 2.537 68 S HA 0.623 5.093 4.470 0.001 0.000 0.271 68 S C -1.541 173.062 174.600 0.005 0.000 1.148 68 S CA -0.541 57.662 58.200 0.006 0.000 0.868 68 S CB 1.242 64.445 63.200 0.004 0.000 1.115 68 S HN 1.287 nan 8.310 nan 0.000 0.461 69 L N 1.966 123.191 121.223 0.004 0.000 2.297 69 L HA 0.516 4.856 4.340 0.001 0.000 0.277 69 L C -0.258 176.614 176.870 0.003 0.000 1.040 69 L CA 0.054 54.896 54.840 0.004 0.000 0.867 69 L CB 0.960 43.022 42.059 0.004 0.000 1.244 69 L HN 0.822 nan 8.230 nan 0.000 0.433 70 Q N 2.843 122.644 119.800 0.002 0.000 2.230 70 Q HA 0.675 5.015 4.340 0.001 0.000 0.248 70 Q C -1.362 174.639 176.000 0.001 0.000 0.915 70 Q CA -0.354 55.451 55.803 0.002 0.000 0.900 70 Q CB 2.116 30.855 28.738 0.001 0.000 1.229 70 Q HN 0.595 nan 8.270 nan 0.000 0.439 71 L N 1.518 122.743 121.223 0.003 0.000 2.438 71 L HA 0.628 4.968 4.340 0.001 0.000 0.270 71 L C -1.097 175.775 176.870 0.003 0.000 0.972 71 L CA -0.184 54.657 54.840 0.002 0.000 0.831 71 L CB 2.258 44.319 42.059 0.004 0.000 1.273 71 L HN 0.705 nan 8.230 nan 0.000 0.405 72 T N 1.577 116.130 114.554 -0.001 0.000 2.885 72 T HA 0.763 5.113 4.350 0.001 0.000 0.285 72 T C -0.845 173.855 174.700 -0.000 0.000 1.019 72 T CA -0.498 61.602 62.100 0.001 0.000 1.010 72 T CB 1.779 70.643 68.868 -0.006 0.000 1.022 72 T HN 0.705 nan 8.240 nan 0.000 0.466 73 Q N 1.765 121.570 119.800 0.008 0.000 2.275 73 Q HA 0.473 4.813 4.340 0.001 0.000 0.258 73 Q C -0.890 175.125 176.000 0.025 0.000 0.960 73 Q CA -0.295 55.515 55.803 0.012 0.000 0.801 73 Q CB 2.147 30.900 28.738 0.024 0.000 1.302 73 Q HN 0.810 nan 8.270 nan 0.000 0.433 74 S N 4.171 119.878 115.700 0.011 0.000 2.516 74 S HA 0.290 4.761 4.470 0.001 0.000 0.282 74 S C 0.651 175.308 174.600 0.095 0.000 1.286 74 S CA 0.051 58.269 58.200 0.029 0.000 1.066 74 S CB 0.166 63.354 63.200 -0.020 0.000 0.884 74 S HN 0.762 nan 8.310 nan 0.000 0.491 75 I N 3.405 124.057 120.570 0.137 0.000 3.300 75 I HA 0.330 4.501 4.170 0.001 0.000 0.279 75 I C -0.066 176.249 176.117 0.329 0.000 1.172 75 I CA 0.260 61.678 61.300 0.198 0.000 1.431 75 I CB 0.368 38.465 38.000 0.162 0.000 1.240 75 I HN 0.641 nan 8.210 nan 0.000 0.453 76 F N 1.388 121.412 119.950 0.123 0.000 2.902 76 F HA 0.367 4.894 4.527 0.001 0.000 0.368 76 F C -1.345 174.529 175.800 0.123 0.000 1.202 76 F CA -0.740 57.343 58.000 0.137 0.000 1.109 76 F CB 0.839 39.896 39.000 0.095 0.000 1.418 76 F HN -0.208 nan 8.300 nan 0.000 0.527 77 D N 6.371 126.592 120.400 -0.299 0.000 2.363 77 D HA 0.119 4.760 4.640 0.001 0.000 0.258 77 D C 0.796 176.962 176.300 -0.224 0.000 1.259 77 D CA -0.257 53.544 54.000 -0.332 0.000 0.921 77 D CB 1.384 42.104 40.800 -0.134 0.000 1.201 77 D HN 0.641 nan 8.370 nan 0.000 0.524 78 M N 2.380 121.688 119.600 -0.486 0.000 2.144 78 M HA -0.175 4.305 4.480 0.001 0.000 0.260 78 M C 1.938 178.232 176.300 -0.011 0.000 1.067 78 M CA 1.817 57.007 55.300 -0.182 0.000 1.095 78 M CB -0.525 31.940 32.600 -0.224 0.000 1.365 78 M HN 0.326 nan 8.290 nan 0.000 0.406 79 S N -0.564 115.087 115.700 -0.082 0.000 2.399 79 S HA -0.177 4.294 4.470 0.001 0.000 0.231 79 S C 1.897 176.474 174.600 -0.038 0.000 1.022 79 S CA 1.362 59.530 58.200 -0.054 0.000 0.983 79 S CB -0.532 62.618 63.200 -0.083 0.000 0.803 79 S HN 0.655 nan 8.310 nan 0.000 0.480 80 K N -0.665 119.701 120.400 -0.056 0.000 2.243 80 K HA 0.035 4.356 4.320 0.001 0.000 0.201 80 K C 1.665 178.171 176.600 -0.157 0.000 1.051 80 K CA 0.913 57.124 56.287 -0.127 0.000 0.970 80 K CB -0.212 32.168 32.500 -0.200 0.000 0.755 80 K HN 0.516 nan 8.250 nan 0.000 0.465 81 W N 1.341 122.597 121.300 -0.073 0.000 2.418 81 W HA -0.062 4.598 4.660 0.001 0.000 0.292 81 W C 2.430 178.924 176.519 -0.041 0.000 1.213 81 W CA 0.519 57.837 57.345 -0.045 0.000 1.283 81 W CB -0.003 29.437 29.460 -0.034 0.000 1.119 81 W HN -0.007 nan 8.180 nan 0.000 0.542 82 R N 0.978 121.574 120.500 0.161 0.000 2.092 82 R HA -0.073 4.267 4.340 0.001 0.000 0.231 82 R C 2.122 178.440 176.300 0.029 0.000 1.119 82 R CA 1.889 58.036 56.100 0.078 0.000 0.970 82 R CB -0.975 29.348 30.300 0.037 0.000 0.864 82 R HN 0.049 nan 8.270 nan 0.000 0.440 83 A N 0.557 123.374 122.820 -0.005 0.000 1.877 83 A HA -0.130 4.190 4.320 0.001 0.000 0.216 83 A C 2.013 179.574 177.584 -0.037 0.000 1.186 83 A CA 1.488 53.504 52.037 -0.034 0.000 0.620 83 A CB -0.800 18.165 19.000 -0.059 0.000 0.822 83 A HN 0.361 nan 8.150 nan 0.000 0.443 84 L N -0.290 120.906 121.223 -0.046 0.000 2.012 84 L HA -0.144 4.197 4.340 0.001 0.000 0.210 84 L C 2.433 179.303 176.870 -0.001 0.000 1.073 84 L CA 2.846 57.659 54.840 -0.044 0.000 0.748 84 L CB -1.247 40.767 42.059 -0.076 0.000 0.891 84 L HN 0.359 nan 8.230 nan 0.000 0.431 85 T N -0.280 114.299 114.554 0.041 0.000 2.720 85 T HA -0.163 4.188 4.350 0.001 0.000 0.268 85 T C 1.932 176.634 174.700 0.003 0.000 1.037 85 T CA 1.884 64.009 62.100 0.042 0.000 1.144 85 T CB -0.248 68.660 68.868 0.067 0.000 0.864 85 T HN 0.329 nan 8.240 nan 0.000 0.444 86 L N 0.653 121.872 121.223 -0.008 0.000 2.093 86 L HA -0.085 4.256 4.340 0.001 0.000 0.208 86 L C 2.815 179.656 176.870 -0.048 0.000 1.085 86 L CA 1.082 55.908 54.840 -0.023 0.000 0.755 86 L CB -0.521 41.526 42.059 -0.020 0.000 0.904 86 L HN 0.212 nan 8.230 nan 0.000 0.435 87 Q N 0.759 120.524 119.800 -0.058 0.000 2.124 87 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 87 Q C 1.933 177.853 176.000 -0.134 0.000 0.977 87 Q CA 1.675 57.425 55.803 -0.088 0.000 0.850 87 Q CB -0.056 28.634 28.738 -0.080 0.000 0.901 87 Q HN 0.417 nan 8.270 nan 0.000 0.429 88 E N -0.156 119.979 120.200 -0.108 0.000 2.049 88 E HA -0.222 4.128 4.350 0.001 0.000 0.198 88 E C 1.957 178.464 176.600 -0.156 0.000 1.007 88 E CA 1.549 57.869 56.400 -0.134 0.000 0.809 88 E CB -0.029 29.641 29.700 -0.050 0.000 0.749 88 E HN 0.300 nan 8.360 nan 0.000 0.450 89 K N 0.163 120.509 120.400 -0.090 0.000 2.026 89 K HA -0.136 4.185 4.320 0.001 0.000 0.208 89 K C 2.257 178.800 176.600 -0.094 0.000 1.048 89 K CA 1.064 57.310 56.287 -0.068 0.000 0.929 89 K CB -0.220 32.263 32.500 -0.028 0.000 0.713 89 K HN 0.074 nan 8.250 nan 0.000 0.439 90 A N 1.686 124.445 122.820 -0.102 0.000 1.948 90 A HA -0.203 4.117 4.320 0.001 0.000 0.220 90 A C 2.383 179.862 177.584 -0.175 0.000 1.177 90 A CA 2.095 54.069 52.037 -0.105 0.000 0.636 90 A CB -0.714 18.233 19.000 -0.089 0.000 0.815 90 A HN 0.378 nan 8.150 nan 0.000 0.449 91 A N -0.649 121.971 122.820 -0.333 0.000 1.898 91 A HA 0.173 4.493 4.320 0.001 0.000 0.216 91 A C 2.426 179.701 177.584 -0.515 0.000 1.181 91 A CA 1.815 53.453 52.037 -0.665 0.000 0.620 91 A CB -1.365 16.850 19.000 -1.308 0.000 0.819 91 A HN 0.747 nan 8.150 nan 0.000 0.442 92 G N 0.119 108.736 108.800 -0.306 0.000 2.440 92 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 92 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 92 G C 1.536 176.447 174.900 0.017 0.000 1.154 92 G CA 1.163 46.235 45.100 -0.047 0.000 0.767 92 G HN 0.468 nan 8.290 nan 0.000 0.552 93 I N -0.037 120.520 120.570 -0.021 0.000 2.179 93 I HA -0.185 3.985 4.170 0.001 0.000 0.242 93 I C 2.863 179.005 176.117 0.041 0.000 1.088 93 I CA 1.310 62.617 61.300 0.012 0.000 1.357 93 I CB -0.202 37.796 38.000 -0.003 0.000 1.051 93 I HN 0.171 nan 8.210 nan 0.000 0.409 94 Q N 0.942 120.759 119.800 0.027 0.000 2.181 94 Q HA -0.284 4.056 4.340 0.001 0.000 0.205 94 Q C 1.569 177.669 176.000 0.166 0.000 0.980 94 Q CA 2.026 57.876 55.803 0.079 0.000 0.862 94 Q CB -0.312 28.459 28.738 0.055 0.000 0.905 94 Q HN 0.493 nan 8.270 nan 0.000 0.429 95 D N -1.929 118.600 120.400 0.216 0.000 2.149 95 D HA -0.082 4.558 4.640 0.001 0.000 0.201 95 D C 1.617 178.045 176.300 0.213 0.000 0.972 95 D CA 0.919 55.086 54.000 0.279 0.000 0.835 95 D CB 0.208 41.230 40.800 0.369 0.000 0.966 95 D HN 0.140 nan 8.370 nan 0.000 0.476 96 V N 0.061 120.062 119.914 0.145 0.000 2.407 96 V HA -0.226 3.895 4.120 0.001 0.000 0.248 96 V C 2.429 178.577 176.094 0.090 0.000 1.055 96 V CA 1.980 64.339 62.300 0.100 0.000 1.049 96 V CB -0.711 31.151 31.823 0.065 0.000 0.662 96 V HN 0.318 nan 8.190 nan 0.000 0.455 97 T N -0.976 113.639 114.554 0.100 0.000 2.720 97 T HA -0.248 4.102 4.350 0.001 0.000 0.268 97 T C 1.754 176.524 174.700 0.117 0.000 1.037 97 T CA 2.138 64.292 62.100 0.089 0.000 1.144 97 T CB -0.364 68.555 68.868 0.084 0.000 0.864 97 T HN 0.580 nan 8.240 nan 0.000 0.444 98 Y N 1.735 122.063 120.300 0.046 0.000 2.181 98 Y HA -0.160 4.391 4.550 0.001 0.000 0.288 98 Y C 2.595 178.515 175.900 0.033 0.000 1.146 98 Y CA 1.361 59.486 58.100 0.040 0.000 1.164 98 Y CB -0.448 38.041 38.460 0.048 0.000 0.982 98 Y HN 0.232 nan 8.280 nan 0.000 0.515 99 Q N -0.932 118.904 119.800 0.060 0.000 2.112 99 Q HA -0.219 4.121 4.340 0.001 0.000 0.206 99 Q C 2.149 178.097 176.000 -0.087 0.000 0.987 99 Q CA 2.429 58.214 55.803 -0.030 0.000 0.858 99 Q CB -0.307 28.457 28.738 0.044 0.000 0.905 99 Q HN 0.440 nan 8.270 nan 0.000 0.420 100 T N 0.861 115.388 114.554 -0.045 0.000 2.746 100 T HA -0.134 4.216 4.350 0.001 0.000 0.267 100 T C 1.063 175.714 174.700 -0.081 0.000 1.039 100 T CA 1.489 63.561 62.100 -0.046 0.000 1.142 100 T CB -0.246 68.612 68.868 -0.016 0.000 0.866 100 T HN 0.249 nan 8.240 nan 0.000 0.444 101 D N 0.973 121.304 120.400 -0.115 0.000 2.178 101 D HA -0.038 4.603 4.640 0.001 0.000 0.202 101 D C 2.340 178.525 176.300 -0.193 0.000 0.974 101 D CA 0.744 54.667 54.000 -0.129 0.000 0.841 101 D CB -0.263 40.478 40.800 -0.098 0.000 0.953 101 D HN 0.449 nan 8.370 nan 0.000 0.478 102 Q N 0.273 119.877 119.800 -0.326 0.000 2.030 102 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 102 Q C 2.239 178.177 176.000 -0.104 0.000 0.986 102 Q CA 1.215 56.854 55.803 -0.273 0.000 0.843 102 Q CB -0.080 28.464 28.738 -0.324 0.000 0.904 102 Q HN 0.405 nan 8.270 nan 0.000 0.420 103 Q N -0.450 119.293 119.800 -0.094 0.000 2.030 103 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 103 Q C 2.154 178.127 176.000 -0.045 0.000 0.986 103 Q CA 1.839 57.605 55.803 -0.061 0.000 0.843 103 Q CB -0.147 28.558 28.738 -0.054 0.000 0.904 103 Q HN 0.375 nan 8.270 nan 0.000 0.420 104 T N 1.577 116.105 114.554 -0.044 0.000 2.803 104 T HA -0.166 4.184 4.350 0.001 0.000 0.269 104 T C 1.707 176.400 174.700 -0.011 0.000 1.052 104 T CA 0.951 63.035 62.100 -0.027 0.000 1.136 104 T CB -0.253 68.600 68.868 -0.025 0.000 0.864 104 T HN 0.115 nan 8.240 nan 0.000 0.467 105 L N 0.890 122.112 121.223 -0.002 0.000 2.042 105 L HA -0.005 4.336 4.340 0.001 0.000 0.210 105 L C 2.093 179.022 176.870 0.098 0.000 1.076 105 L CA 1.497 56.366 54.840 0.048 0.000 0.749 105 L CB -0.632 41.462 42.059 0.060 0.000 0.893 105 L HN 0.290 nan 8.230 nan 0.000 0.432 106 I N -1.376 119.235 120.570 0.069 0.000 2.099 106 I HA -0.321 3.850 4.170 0.001 0.000 0.239 106 I C 2.353 178.424 176.117 -0.076 0.000 1.066 106 I CA 1.356 62.615 61.300 -0.068 0.000 1.324 106 I CB -0.462 37.418 38.000 -0.201 0.000 1.037 106 I HN 0.280 nan 8.210 nan 0.000 0.401 107 L N 1.032 122.223 121.223 -0.053 0.000 2.079 107 L HA -0.225 4.115 4.340 0.001 0.000 0.210 107 L C 1.985 178.841 176.870 -0.023 0.000 1.081 107 L CA 1.947 56.765 54.840 -0.037 0.000 0.752 107 L CB -0.814 41.233 42.059 -0.020 0.000 0.896 107 L HN 0.235 nan 8.230 nan 0.000 0.433 108 N N -1.692 117.001 118.700 -0.012 0.000 2.376 108 N HA -0.061 4.679 4.740 0.001 0.000 0.177 108 N C 1.636 177.140 175.510 -0.009 0.000 1.024 108 N CA 1.418 54.465 53.050 -0.004 0.000 0.893 108 N CB -0.213 38.276 38.487 0.003 0.000 0.980 108 N HN 0.357 nan 8.380 nan 0.000 0.439 109 T N 0.347 114.899 114.554 -0.003 0.000 2.770 109 T HA 0.031 4.381 4.350 0.001 0.000 0.263 109 T C 1.988 176.631 174.700 -0.094 0.000 1.039 109 T CA 1.196 63.292 62.100 -0.006 0.000 1.142 109 T CB -0.360 68.558 68.868 0.083 0.000 0.868 109 T HN 0.253 nan 8.240 nan 0.000 0.435 110 A N 1.543 124.265 122.820 -0.163 0.000 1.883 110 A HA -0.154 4.166 4.320 0.001 0.000 0.217 110 A C 2.561 179.987 177.584 -0.263 0.000 1.186 110 A CA 2.192 54.029 52.037 -0.333 0.000 0.624 110 A CB -1.397 17.465 19.000 -0.231 0.000 0.822 110 A HN 0.453 nan 8.150 nan 0.000 0.444 111 T N 0.101 114.612 114.554 -0.072 0.000 2.708 111 T HA -0.022 4.328 4.350 0.001 0.000 0.266 111 T C 2.207 176.903 174.700 -0.006 0.000 1.037 111 T CA 1.669 63.779 62.100 0.017 0.000 1.146 111 T CB -0.434 68.454 68.868 0.033 0.000 0.865 111 T HN 0.605 nan 8.240 nan 0.000 0.435 112 A N 0.175 122.977 122.820 -0.030 0.000 1.930 112 A HA -0.070 4.250 4.320 0.001 0.000 0.217 112 A C 2.062 179.609 177.584 -0.062 0.000 1.175 112 A CA 1.394 53.413 52.037 -0.030 0.000 0.627 112 A CB -0.977 18.012 19.000 -0.018 0.000 0.815 112 A HN 0.594 nan 8.150 nan 0.000 0.443 113 Y N -0.485 119.660 120.300 -0.259 0.000 2.128 113 Y HA -0.241 4.310 4.550 0.001 0.000 0.284 113 Y C 1.907 177.627 175.900 -0.299 0.000 1.154 113 Y CA 2.176 60.068 58.100 -0.348 0.000 1.149 113 Y CB -0.345 37.788 38.460 -0.545 0.000 0.976 113 Y HN 0.296 nan 8.280 nan 0.000 0.505 114 F N 0.190 120.145 119.950 0.008 0.000 2.259 114 F HA -0.122 4.405 4.527 0.000 0.000 0.298 114 F C 2.066 177.629 175.800 -0.395 0.000 1.088 114 F CA 0.949 58.783 58.000 -0.277 0.000 1.358 114 F CB -1.190 37.692 39.000 -0.197 0.000 1.040 114 F HN 0.091 nan 8.300 nan 0.000 0.505 115 N N 0.200 118.879 118.700 -0.035 0.000 2.272 115 N HA -0.126 4.615 4.740 0.001 0.000 0.185 115 N C 2.077 177.521 175.510 -0.111 0.000 1.014 115 N CA 0.860 53.873 53.050 -0.062 0.000 0.870 115 N CB -0.498 37.977 38.487 -0.019 0.000 0.975 115 N HN 0.126 nan 8.380 nan 0.000 0.433 116 V N 0.941 120.758 119.914 -0.161 0.000 2.379 116 V HA -0.037 4.083 4.120 0.001 0.000 0.243 116 V C 2.311 178.280 176.094 -0.209 0.000 1.035 116 V CA 0.749 62.942 62.300 -0.178 0.000 1.035 116 V CB -0.342 31.345 31.823 -0.226 0.000 0.673 116 V HN 0.239 nan 8.190 nan 0.000 0.457 117 L N 0.421 121.467 121.223 -0.295 0.000 2.081 117 L HA -0.253 4.088 4.340 0.001 0.000 0.212 117 L C 2.346 179.091 176.870 -0.209 0.000 1.080 117 L CA 2.170 56.846 54.840 -0.274 0.000 0.754 117 L CB -0.698 41.161 42.059 -0.333 0.000 0.893 117 L HN 0.464 nan 8.230 nan 0.000 0.433 118 N N -0.050 118.483 118.700 -0.278 0.000 2.173 118 N HA -0.084 4.656 4.740 0.001 0.000 0.184 118 N C 1.812 177.304 175.510 -0.029 0.000 1.025 118 N CA 1.227 54.255 53.050 -0.037 0.000 0.852 118 N CB -0.039 38.441 38.487 -0.011 0.000 0.998 118 N HN 0.225 nan 8.380 nan 0.000 0.427 119 A N 0.431 123.213 122.820 -0.062 0.000 2.024 119 A HA -0.105 4.215 4.320 0.001 0.000 0.220 119 A C 2.187 179.733 177.584 -0.063 0.000 1.164 119 A CA 1.008 53.015 52.037 -0.050 0.000 0.643 119 A CB -0.709 18.261 19.000 -0.050 0.000 0.806 119 A HN 0.406 nan 8.150 nan 0.000 0.451 120 I N -0.747 119.774 120.570 -0.083 0.000 2.235 120 I HA -0.165 4.005 4.170 0.001 0.000 0.241 120 I C 1.978 178.012 176.117 -0.139 0.000 1.085 120 I CA 1.281 62.525 61.300 -0.094 0.000 1.378 120 I CB -0.457 37.488 38.000 -0.091 0.000 1.076 120 I HN 0.211 nan 8.210 nan 0.000 0.415 121 D N 0.761 121.069 120.400 -0.154 0.000 2.106 121 D HA -0.167 4.473 4.640 0.001 0.000 0.191 121 D C 2.304 178.356 176.300 -0.412 0.000 0.997 121 D CA 1.255 55.039 54.000 -0.360 0.000 0.834 121 D CB -0.405 40.261 40.800 -0.222 0.000 0.956 121 D HN 0.084 nan 8.370 nan 0.000 0.448 122 V N 0.844 120.670 119.914 -0.146 0.000 2.287 122 V HA -0.236 3.884 4.120 0.001 0.000 0.248 122 V C 2.514 178.591 176.094 -0.027 0.000 1.053 122 V CA 1.194 63.476 62.300 -0.030 0.000 1.027 122 V CB -0.507 31.324 31.823 0.013 0.000 0.646 122 V HN 0.136 nan 8.190 nan 0.000 0.447 123 L N 1.078 122.266 121.223 -0.058 0.000 1.956 123 L HA -0.228 4.112 4.340 0.001 0.000 0.216 123 L C 2.828 179.676 176.870 -0.038 0.000 1.073 123 L CA 2.755 57.567 54.840 -0.045 0.000 0.762 123 L CB -0.842 41.185 42.059 -0.054 0.000 0.889 123 L HN 0.536 nan 8.230 nan 0.000 0.433 124 S N -1.784 113.865 115.700 -0.085 0.000 2.400 124 S HA -0.246 4.225 4.470 0.001 0.000 0.232 124 S C 2.045 176.701 174.600 0.093 0.000 1.025 124 S CA 1.327 59.499 58.200 -0.046 0.000 0.993 124 S CB -0.977 62.164 63.200 -0.099 0.000 0.808 124 S HN 0.500 nan 8.310 nan 0.000 0.478 125 Y N 2.432 122.773 120.300 0.069 0.000 2.200 125 Y HA 0.061 4.612 4.550 0.000 0.000 0.290 125 Y C 3.097 179.027 175.900 0.050 0.000 1.137 125 Y CA 0.739 58.931 58.100 0.153 0.000 1.163 125 Y CB -1.530 37.034 38.460 0.174 0.000 0.988 125 Y HN 0.297 nan 8.280 nan 0.000 0.518 126 T N -0.027 114.615 114.554 0.146 0.000 2.915 126 T HA -0.174 4.176 4.350 0.001 0.000 0.269 126 T C 1.801 176.464 174.700 -0.061 0.000 1.071 126 T CA 1.313 63.416 62.100 0.005 0.000 1.132 126 T CB -0.149 68.714 68.868 -0.008 0.000 0.878 126 T HN 0.430 nan 8.240 nan 0.000 0.479 127 Q N 0.468 120.254 119.800 -0.022 0.000 2.083 127 Q HA 0.088 4.428 4.340 0.001 0.000 0.198 127 Q C 2.731 178.703 176.000 -0.047 0.000 0.969 127 Q CA 1.222 57.001 55.803 -0.040 0.000 0.838 127 Q CB -0.224 28.505 28.738 -0.016 0.000 0.900 127 Q HN 0.533 nan 8.270 nan 0.000 0.436 128 A N 0.961 123.780 122.820 -0.001 0.000 2.015 128 A HA -0.238 4.083 4.320 0.001 0.000 0.219 128 A C 1.970 179.350 177.584 -0.340 0.000 1.163 128 A CA 1.443 53.477 52.037 -0.006 0.000 0.646 128 A CB -0.420 18.744 19.000 0.275 0.000 0.806 128 A HN 0.394 nan 8.150 nan 0.000 0.448 129 Q N -0.033 119.401 119.800 -0.609 0.000 2.083 129 Q HA -0.180 4.161 4.340 0.001 0.000 0.198 129 Q C 2.130 177.937 176.000 -0.323 0.000 0.969 129 Q CA 1.725 57.055 55.803 -0.788 0.000 0.838 129 Q CB -0.196 28.157 28.738 -0.642 0.000 0.900 129 Q HN 0.657 nan 8.270 nan 0.000 0.436 130 K N 0.758 121.033 120.400 -0.208 0.000 1.987 130 K HA -0.285 4.036 4.320 0.001 0.000 0.216 130 K C 2.073 178.700 176.600 0.045 0.000 1.051 130 K CA 1.953 58.170 56.287 -0.116 0.000 0.942 130 K CB -0.349 32.056 32.500 -0.158 0.000 0.722 130 K HN 0.324 nan 8.250 nan 0.000 0.444 131 E N -0.129 120.079 120.200 0.013 0.000 2.147 131 E HA -0.246 4.104 4.350 0.001 0.000 0.199 131 E C 1.666 178.328 176.600 0.102 0.000 1.005 131 E CA 1.345 57.786 56.400 0.069 0.000 0.810 131 E CB -0.176 29.542 29.700 0.030 0.000 0.736 131 E HN 0.474 nan 8.360 nan 0.000 0.460 132 A N 0.844 123.680 122.820 0.025 0.000 1.968 132 A HA -0.062 4.259 4.320 0.001 0.000 0.217 132 A C 2.145 179.759 177.584 0.049 0.000 1.169 132 A CA 0.964 53.021 52.037 0.034 0.000 0.638 132 A CB -0.374 18.623 19.000 -0.005 0.000 0.812 132 A HN 0.345 nan 8.150 nan 0.000 0.446 133 I N -2.141 118.472 120.570 0.071 0.000 2.439 133 I HA -0.205 3.965 4.170 0.001 0.000 0.251 133 I C 2.397 178.594 176.117 0.133 0.000 1.139 133 I CA 1.230 62.593 61.300 0.106 0.000 1.438 133 I CB -0.410 37.695 38.000 0.175 0.000 1.085 133 I HN 0.459 nan 8.210 nan 0.000 0.427 134 Y N 2.113 122.459 120.300 0.076 0.000 2.097 134 Y HA -0.255 4.295 4.550 0.001 0.000 0.282 134 Y C 2.758 178.621 175.900 -0.061 0.000 1.152 134 Y CA 1.741 59.803 58.100 -0.064 0.000 1.136 134 Y CB -0.258 38.203 38.460 0.002 0.000 0.975 134 Y HN -0.043 nan 8.280 nan 0.000 0.498 135 R N -0.363 120.191 120.500 0.091 0.000 2.120 135 R HA -0.186 4.154 4.340 0.001 0.000 0.234 135 R C 2.208 178.492 176.300 -0.027 0.000 1.123 135 R CA 1.754 57.868 56.100 0.023 0.000 0.975 135 R CB -0.257 30.089 30.300 0.076 0.000 0.866 135 R HN 0.520 nan 8.270 nan 0.000 0.446 136 Q N -0.119 119.656 119.800 -0.042 0.000 2.311 136 Q HA -0.064 4.276 4.340 0.001 0.000 0.203 136 Q C 1.764 177.697 176.000 -0.113 0.000 0.954 136 Q CA 0.540 56.289 55.803 -0.090 0.000 0.885 136 Q CB 0.161 28.801 28.738 -0.164 0.000 0.963 136 Q HN 0.183 nan 8.270 nan 0.000 0.471 137 L N 0.465 121.596 121.223 -0.154 0.000 2.240 137 L HA -0.036 4.304 4.340 0.001 0.000 0.211 137 L C 1.287 178.032 176.870 -0.207 0.000 1.106 137 L CA 1.480 56.200 54.840 -0.201 0.000 0.793 137 L CB 0.258 42.130 42.059 -0.313 0.000 0.927 137 L HN 0.004 nan 8.230 nan 0.000 0.446 138 D N -1.153 119.108 120.400 -0.232 0.000 2.328 138 D HA -0.046 4.595 4.640 0.001 0.000 0.221 138 D C 1.442 177.712 176.300 -0.049 0.000 1.072 138 D CA 0.240 54.128 54.000 -0.187 0.000 0.850 138 D CB 0.565 41.206 40.800 -0.265 0.000 0.922 138 D HN 0.509 nan 8.370 nan 0.000 0.516 139 Q N -0.875 118.941 119.800 0.027 0.000 2.316 139 Q HA 0.022 4.362 4.340 0.001 0.000 0.235 139 Q C 1.399 177.515 176.000 0.193 0.000 0.863 139 Q CA 0.323 56.197 55.803 0.118 0.000 0.939 139 Q CB 0.627 29.488 28.738 0.206 0.000 1.108 139 Q HN -0.040 nan 8.270 nan 0.000 0.522 140 T N -0.952 113.722 114.554 0.200 0.000 3.107 140 T HA 0.063 4.414 4.350 0.001 0.000 0.249 140 T C 1.135 175.904 174.700 0.115 0.000 1.096 140 T CA 0.947 63.181 62.100 0.224 0.000 1.012 140 T CB 0.213 69.189 68.868 0.180 0.000 0.977 140 T HN 0.086 nan 8.240 nan 0.000 0.527 141 T N 0.522 115.107 114.554 0.052 0.000 3.044 141 T HA 0.278 4.629 4.350 0.001 0.000 0.260 141 T C 1.095 175.842 174.700 0.079 0.000 1.019 141 T CA -0.054 62.072 62.100 0.044 0.000 0.921 141 T CB 0.128 68.961 68.868 -0.058 0.000 1.053 141 T HN 0.391 nan 8.240 nan 0.000 0.533 142 Q N -0.286 119.553 119.800 0.065 0.000 2.159 142 Q HA 0.342 4.683 4.340 0.001 0.000 0.217 142 Q C 1.413 177.437 176.000 0.039 0.000 0.818 142 Q CA -0.105 55.725 55.803 0.045 0.000 1.008 142 Q CB 0.926 29.675 28.738 0.018 0.000 1.148 142 Q HN 0.229 nan 8.270 nan 0.000 0.491 143 R N -1.164 119.377 120.500 0.069 0.000 2.435 143 R HA 0.138 4.478 4.340 0.001 0.000 0.221 143 R C 1.358 177.702 176.300 0.073 0.000 0.885 143 R CA -0.013 56.107 56.100 0.033 0.000 1.018 143 R CB 0.330 30.623 30.300 -0.012 0.000 1.259 143 R HN 0.091 nan 8.270 nan 0.000 0.597 144 F N 2.326 122.270 119.950 -0.009 0.000 2.163 144 F HA -0.019 4.509 4.527 0.001 0.000 0.297 144 F C 1.524 177.317 175.800 -0.013 0.000 1.094 144 F CA 1.304 59.300 58.000 -0.007 0.000 1.290 144 F CB 0.032 39.031 39.000 -0.001 0.000 1.017 144 F HN -0.125 nan 8.300 nan 0.000 0.483 145 N N 0.506 119.235 118.700 0.048 0.000 2.272 145 N HA -0.131 4.610 4.740 0.001 0.000 0.185 145 N C 1.482 176.911 175.510 -0.135 0.000 1.014 145 N CA 1.583 54.597 53.050 -0.061 0.000 0.870 145 N CB -0.406 38.104 38.487 0.037 0.000 0.975 145 N HN 0.281 nan 8.380 nan 0.000 0.433 146 V N -1.202 118.651 119.914 -0.103 0.000 3.596 146 V HA 0.354 4.474 4.120 0.001 0.000 0.289 146 V C 1.583 177.601 176.094 -0.125 0.000 1.336 146 V CA 0.581 62.824 62.300 -0.095 0.000 1.137 146 V CB -0.251 31.537 31.823 -0.058 0.000 0.966 146 V HN 0.400 nan 8.190 nan 0.000 0.428 147 G N 1.940 110.618 108.800 -0.204 0.000 2.284 147 G HA2 -0.267 3.694 3.960 0.001 0.000 0.230 147 G HA3 -0.267 3.694 3.960 0.001 0.000 0.230 147 G C 0.518 175.333 174.900 -0.142 0.000 1.021 147 G CA 0.202 45.173 45.100 -0.216 0.000 0.619 147 G HN 0.708 nan 8.290 nan 0.000 0.510 148 L N -0.158 121.014 121.223 -0.085 0.000 2.805 148 L HA 0.781 5.121 4.340 0.001 0.000 0.237 148 L C -0.045 176.826 176.870 0.001 0.000 1.252 148 L CA -0.808 54.005 54.840 -0.044 0.000 1.064 148 L CB 0.514 42.542 42.059 -0.051 0.000 1.361 148 L HN 0.167 nan 8.230 nan 0.000 0.474 149 V N -0.309 119.635 119.914 0.049 0.000 2.711 149 V HA 0.773 4.893 4.120 0.001 0.000 0.304 149 V C 0.506 176.752 176.094 0.254 0.000 1.097 149 V CA -0.795 61.593 62.300 0.147 0.000 0.906 149 V CB 1.377 33.330 31.823 0.217 0.000 1.015 149 V HN 0.363 nan 8.190 nan 0.000 0.427 150 A N 3.449 126.385 122.820 0.193 0.000 2.466 150 A HA 0.479 4.800 4.320 0.001 0.000 0.238 150 A C 1.199 178.940 177.584 0.263 0.000 1.074 150 A CA 0.170 52.334 52.037 0.211 0.000 0.774 150 A CB 0.156 19.225 19.000 0.115 0.000 1.015 150 A HN 1.080 nan 8.150 nan 0.000 0.498 151 I N 1.187 121.926 120.570 0.281 0.000 2.614 151 I HA -0.171 3.999 4.170 0.001 0.000 0.258 151 I C 2.259 178.332 176.117 -0.073 0.000 1.189 151 I CA 1.991 63.303 61.300 0.020 0.000 1.462 151 I CB 0.003 38.055 38.000 0.087 0.000 1.092 151 I HN 0.859 nan 8.210 nan 0.000 0.442 152 T N -3.447 111.111 114.554 0.006 0.000 3.085 152 T HA -0.062 4.289 4.350 0.001 0.000 0.263 152 T C 1.407 176.100 174.700 -0.012 0.000 1.127 152 T CA 0.654 62.749 62.100 -0.008 0.000 1.103 152 T CB -0.294 68.582 68.868 0.013 0.000 0.921 152 T HN 0.254 nan 8.240 nan 0.000 0.510 153 D N 0.671 121.073 120.400 0.002 0.000 2.289 153 D HA 0.093 4.733 4.640 0.001 0.000 0.207 153 D C 1.960 178.239 176.300 -0.035 0.000 0.966 153 D CA 0.333 54.339 54.000 0.010 0.000 0.868 153 D CB 0.261 41.100 40.800 0.066 0.000 0.943 153 D HN 0.310 nan 8.370 nan 0.000 0.514 154 V N 0.486 120.337 119.914 -0.106 0.000 2.992 154 V HA -0.057 4.063 4.120 0.001 0.000 0.250 154 V C 2.252 178.261 176.094 -0.142 0.000 1.090 154 V CA 0.817 63.016 62.300 -0.169 0.000 1.101 154 V CB 0.076 31.686 31.823 -0.355 0.000 0.743 154 V HN 0.108 nan 8.190 nan 0.000 0.468 155 Q N -0.132 119.597 119.800 -0.120 0.000 2.083 155 Q HA -0.149 4.191 4.340 0.001 0.000 0.198 155 Q C 2.176 178.149 176.000 -0.045 0.000 0.969 155 Q CA 1.248 57.003 55.803 -0.079 0.000 0.838 155 Q CB -0.246 28.454 28.738 -0.064 0.000 0.900 155 Q HN 0.574 nan 8.270 nan 0.000 0.436 156 N N 0.867 119.545 118.700 -0.037 0.000 2.084 156 N HA -0.144 4.597 4.740 0.001 0.000 0.190 156 N C 1.647 177.146 175.510 -0.019 0.000 1.030 156 N CA 1.484 54.521 53.050 -0.021 0.000 0.849 156 N CB 0.030 38.508 38.487 -0.015 0.000 1.012 156 N HN 0.197 nan 8.380 nan 0.000 0.423 157 A N 1.008 123.808 122.820 -0.034 0.000 2.015 157 A HA -0.053 4.268 4.320 0.001 0.000 0.219 157 A C 2.318 179.897 177.584 -0.007 0.000 1.163 157 A CA 0.718 52.736 52.037 -0.032 0.000 0.646 157 A CB -0.347 18.615 19.000 -0.062 0.000 0.806 157 A HN 0.249 nan 8.150 nan 0.000 0.448 158 R N -0.612 119.875 120.500 -0.022 0.000 2.100 158 R HA 0.051 4.391 4.340 0.001 0.000 0.220 158 R C 2.253 178.593 176.300 0.066 0.000 1.091 158 R CA 1.064 57.169 56.100 0.009 0.000 0.986 158 R CB -0.271 30.006 30.300 -0.038 0.000 0.888 158 R HN 0.446 nan 8.270 nan 0.000 0.444 159 A N 0.479 123.317 122.820 0.029 0.000 2.019 159 A HA -0.167 4.154 4.320 0.001 0.000 0.219 159 A C 1.935 179.540 177.584 0.035 0.000 1.164 159 A CA 1.040 53.094 52.037 0.029 0.000 0.644 159 A CB -0.273 18.731 19.000 0.008 0.000 0.805 159 A HN 0.380 nan 8.150 nan 0.000 0.449 160 Q N -2.376 117.449 119.800 0.042 0.000 2.302 160 Q HA -0.076 4.264 4.340 0.001 0.000 0.202 160 Q C 1.761 177.796 176.000 0.059 0.000 0.936 160 Q CA 0.978 56.800 55.803 0.032 0.000 0.886 160 Q CB -0.082 28.666 28.738 0.016 0.000 0.986 160 Q HN 0.842 nan 8.270 nan 0.000 0.487 161 Y N 1.105 121.391 120.300 -0.025 0.000 2.314 161 Y HA -0.156 4.394 4.550 0.001 0.000 0.293 161 Y C 1.461 177.357 175.900 -0.006 0.000 1.129 161 Y CA 1.403 59.497 58.100 -0.010 0.000 1.201 161 Y CB 0.168 38.636 38.460 0.014 0.000 0.999 161 Y HN 0.102 nan 8.280 nan 0.000 0.541 162 D N -0.601 119.862 120.400 0.106 0.000 2.178 162 D HA -0.147 4.493 4.640 0.001 0.000 0.201 162 D C 2.047 178.303 176.300 -0.073 0.000 0.980 162 D CA 1.760 55.769 54.000 0.015 0.000 0.842 162 D CB -0.249 40.588 40.800 0.061 0.000 0.948 162 D HN 0.358 nan 8.370 nan 0.000 0.472 163 T N 0.023 114.542 114.554 -0.060 0.000 2.737 163 T HA -0.103 4.247 4.350 0.001 0.000 0.265 163 T C 2.033 176.665 174.700 -0.114 0.000 1.038 163 T CA 0.676 62.735 62.100 -0.068 0.000 1.144 163 T CB -0.399 68.445 68.868 -0.040 0.000 0.866 163 T HN -0.025 nan 8.240 nan 0.000 0.434 164 V N 1.292 121.109 119.914 -0.162 0.000 2.720 164 V HA -0.052 4.069 4.120 0.001 0.000 0.256 164 V C 2.117 178.055 176.094 -0.260 0.000 1.082 164 V CA 1.287 63.466 62.300 -0.202 0.000 1.101 164 V CB -0.519 31.169 31.823 -0.226 0.000 0.693 164 V HN 0.464 nan 8.190 nan 0.000 0.479 165 L N -0.417 120.608 121.223 -0.330 0.000 2.072 165 L HA -0.022 4.318 4.340 0.001 0.000 0.205 165 L C 2.638 179.416 176.870 -0.153 0.000 1.079 165 L CA 1.501 56.170 54.840 -0.285 0.000 0.752 165 L CB -0.642 41.242 42.059 -0.292 0.000 0.906 165 L HN 0.423 nan 8.230 nan 0.000 0.436 166 A N -0.334 122.416 122.820 -0.116 0.000 2.016 166 A HA -0.138 4.182 4.320 0.001 0.000 0.217 166 A C 1.897 179.440 177.584 -0.067 0.000 1.162 166 A CA 1.185 53.177 52.037 -0.074 0.000 0.662 166 A CB -0.351 18.617 19.000 -0.053 0.000 0.812 166 A HN 0.383 nan 8.150 nan 0.000 0.450 167 N N 0.028 118.680 118.700 -0.079 0.000 2.171 167 N HA -0.124 4.616 4.740 0.001 0.000 0.184 167 N C 1.650 177.122 175.510 -0.064 0.000 1.021 167 N CA 1.340 54.352 53.050 -0.063 0.000 0.854 167 N CB -0.399 38.050 38.487 -0.064 0.000 0.994 167 N HN 0.704 nan 8.380 nan 0.000 0.426 168 E N 0.595 120.743 120.200 -0.087 0.000 2.209 168 E HA -0.153 4.198 4.350 0.001 0.000 0.196 168 E C 1.888 178.452 176.600 -0.061 0.000 0.993 168 E CA 0.497 56.850 56.400 -0.077 0.000 0.819 168 E CB -0.015 29.624 29.700 -0.101 0.000 0.745 168 E HN 0.290 nan 8.360 nan 0.000 0.477 169 L N 0.515 121.702 121.223 -0.060 0.000 1.993 169 L HA -0.108 4.233 4.340 0.001 0.000 0.206 169 L C 2.337 179.185 176.870 -0.036 0.000 1.074 169 L CA 1.801 56.612 54.840 -0.047 0.000 0.746 169 L CB -0.295 41.737 42.059 -0.045 0.000 0.896 169 L HN 0.226 nan 8.230 nan 0.000 0.435 170 T N -2.697 111.837 114.554 -0.034 0.000 3.509 170 T HA 0.212 4.563 4.350 0.001 0.000 0.250 170 T C 0.801 175.487 174.700 -0.024 0.000 1.076 170 T CA 0.437 62.522 62.100 -0.025 0.000 0.966 170 T CB 0.137 68.992 68.868 -0.021 0.000 1.046 170 T HN 0.388 nan 8.240 nan 0.000 0.591 171 A N 2.438 125.241 122.820 -0.028 0.000 1.999 171 A HA 0.286 4.607 4.320 0.001 0.000 0.200 171 A C 2.249 179.817 177.584 -0.027 0.000 1.363 171 A CA 0.223 52.245 52.037 -0.025 0.000 0.844 171 A CB -0.082 18.901 19.000 -0.028 0.000 0.954 171 A HN 0.574 nan 8.150 nan 0.000 0.481 172 R N 0.177 120.659 120.500 -0.031 0.000 2.276 172 R HA 0.051 4.392 4.340 0.001 0.000 0.203 172 R C 1.424 177.708 176.300 -0.026 0.000 1.017 172 R CA 1.520 57.602 56.100 -0.031 0.000 1.010 172 R CB -0.495 29.785 30.300 -0.034 0.000 0.900 172 R HN 0.426 nan 8.270 nan 0.000 0.469 173 N N 1.084 119.770 118.700 -0.023 0.000 2.092 173 N HA -0.122 4.619 4.740 0.001 0.000 0.189 173 N C 1.140 176.642 175.510 -0.013 0.000 1.040 173 N CA 1.508 54.547 53.050 -0.017 0.000 0.845 173 N CB -0.181 38.296 38.487 -0.016 0.000 1.017 173 N HN 0.172 nan 8.380 nan 0.000 0.426 174 N N 0.498 119.190 118.700 -0.013 0.000 2.069 174 N HA -0.203 4.538 4.740 0.001 0.000 0.196 174 N C 1.605 177.107 175.510 -0.013 0.000 1.024 174 N CA 1.085 54.128 53.050 -0.011 0.000 0.869 174 N CB -0.711 37.769 38.487 -0.011 0.000 1.035 174 N HN 0.330 nan 8.380 nan 0.000 0.434 175 L N 1.149 122.360 121.223 -0.020 0.000 2.017 175 L HA -0.111 4.230 4.340 0.001 0.000 0.208 175 L C 1.560 178.423 176.870 -0.013 0.000 1.073 175 L CA 1.895 56.720 54.840 -0.025 0.000 0.745 175 L CB -0.771 41.269 42.059 -0.032 0.000 0.894 175 L HN 0.023 nan 8.230 nan 0.000 0.432 176 D N -0.185 120.210 120.400 -0.010 0.000 2.097 176 D HA -0.173 4.467 4.640 0.001 0.000 0.195 176 D C 1.881 178.193 176.300 0.020 0.000 0.989 176 D CA 1.300 55.300 54.000 0.000 0.000 0.827 176 D CB -0.285 40.509 40.800 -0.011 0.000 0.966 176 D HN 0.409 nan 8.370 nan 0.000 0.456 177 N N 0.770 119.478 118.700 0.013 0.000 2.272 177 N HA -0.114 4.627 4.740 0.001 0.000 0.185 177 N C 1.657 177.180 175.510 0.021 0.000 1.014 177 N CA 1.013 54.075 53.050 0.020 0.000 0.870 177 N CB -0.319 38.174 38.487 0.011 0.000 0.975 177 N HN 0.136 nan 8.380 nan 0.000 0.433 178 A N 0.664 123.489 122.820 0.009 0.000 1.933 178 A HA -0.088 4.232 4.320 0.001 0.000 0.218 178 A C 2.373 179.964 177.584 0.012 0.000 1.175 178 A CA 1.684 53.720 52.037 -0.001 0.000 0.628 178 A CB -0.714 18.271 19.000 -0.025 0.000 0.814 178 A HN 0.231 nan 8.150 nan 0.000 0.444 179 V N -2.605 117.334 119.914 0.041 0.000 2.719 179 V HA -0.073 4.047 4.120 0.001 0.000 0.252 179 V C 1.871 178.043 176.094 0.130 0.000 1.065 179 V CA 2.066 64.421 62.300 0.093 0.000 1.086 179 V CB -0.579 31.329 31.823 0.142 0.000 0.700 179 V HN 0.366 nan 8.190 nan 0.000 0.467 180 E N 0.525 120.799 120.200 0.124 0.000 2.072 180 E HA -0.158 4.192 4.350 0.001 0.000 0.191 180 E C 2.375 178.996 176.600 0.035 0.000 0.985 180 E CA 1.482 57.951 56.400 0.115 0.000 0.801 180 E CB -0.409 29.349 29.700 0.098 0.000 0.750 180 E HN 0.659 nan 8.360 nan 0.000 0.452 181 Q N 0.425 120.240 119.800 0.025 0.000 2.030 181 Q HA -0.154 4.186 4.340 0.001 0.000 0.204 181 Q C 2.395 178.392 176.000 -0.004 0.000 0.986 181 Q CA 0.848 56.654 55.803 0.006 0.000 0.843 181 Q CB -0.871 27.870 28.738 0.004 0.000 0.904 181 Q HN 0.225 nan 8.270 nan 0.000 0.420 182 L N 0.961 122.186 121.223 0.004 0.000 2.079 182 L HA -0.195 4.145 4.340 0.001 0.000 0.210 182 L C 2.508 179.374 176.870 -0.006 0.000 1.081 182 L CA 1.835 56.682 54.840 0.012 0.000 0.752 182 L CB -0.373 41.705 42.059 0.031 0.000 0.896 182 L HN 0.127 nan 8.230 nan 0.000 0.433 183 R N -0.649 119.798 120.500 -0.088 0.000 2.066 183 R HA -0.184 4.157 4.340 0.001 0.000 0.232 183 R C 2.332 178.526 176.300 -0.176 0.000 1.131 183 R CA 1.933 57.872 56.100 -0.267 0.000 0.955 183 R CB -0.672 29.249 30.300 -0.630 0.000 0.851 183 R HN 0.549 nan 8.270 nan 0.000 0.432 184 Q N 0.111 119.848 119.800 -0.105 0.000 2.045 184 Q HA -0.188 4.153 4.340 0.001 0.000 0.206 184 Q C 2.025 177.996 176.000 -0.048 0.000 0.991 184 Q CA 2.509 58.274 55.803 -0.064 0.000 0.851 184 Q CB -0.187 28.532 28.738 -0.031 0.000 0.911 184 Q HN 0.534 nan 8.270 nan 0.000 0.418 185 I N -0.795 119.755 120.570 -0.032 0.000 2.394 185 I HA -0.193 3.977 4.170 0.001 0.000 0.251 185 I C 2.103 178.209 176.117 -0.018 0.000 1.136 185 I CA 1.262 62.551 61.300 -0.017 0.000 1.425 185 I CB 0.021 38.020 38.000 -0.003 0.000 1.079 185 I HN 0.268 nan 8.210 nan 0.000 0.425 186 T N -1.561 112.982 114.554 -0.019 0.000 2.955 186 T HA 0.237 4.587 4.350 0.001 0.000 0.251 186 T C 1.228 175.909 174.700 -0.032 0.000 1.002 186 T CA 0.786 62.892 62.100 0.010 0.000 0.970 186 T CB 0.445 69.381 68.868 0.113 0.000 1.091 186 T HN 0.520 nan 8.240 nan 0.000 0.495 187 G N 1.517 110.260 108.800 -0.095 0.000 2.176 187 G HA2 -0.188 3.772 3.960 0.001 0.000 0.253 187 G HA3 -0.188 3.772 3.960 0.001 0.000 0.253 187 G C 0.000 174.763 174.900 -0.228 0.000 0.979 187 G CA 0.079 45.096 45.100 -0.138 0.000 0.641 187 G HN 0.531 nan 8.290 nan 0.000 0.530 188 N N -1.029 117.490 118.700 -0.302 0.000 2.509 188 N HA 0.706 5.446 4.740 0.001 0.000 0.280 188 N C -1.492 173.615 175.510 -0.671 0.000 1.306 188 N CA -0.466 52.293 53.050 -0.484 0.000 0.782 188 N CB 1.188 39.292 38.487 -0.639 0.000 1.493 188 N HN 0.050 nan 8.380 nan 0.000 0.498 189 Y N 0.266 120.321 120.300 -0.409 0.000 2.376 189 Y HA 0.423 4.974 4.550 0.001 0.000 0.340 189 Y C -0.725 174.919 175.900 -0.427 0.000 0.965 189 Y CA -0.538 57.397 58.100 -0.276 0.000 1.078 189 Y CB 1.098 39.477 38.460 -0.136 0.000 1.193 189 Y HN 0.345 nan 8.280 nan 0.000 0.452 190 Y N 3.885 124.265 120.300 0.132 0.000 2.335 190 Y HA 0.342 4.892 4.550 0.001 0.000 0.338 190 Y C -1.745 174.180 175.900 0.041 0.000 0.977 190 Y CA -2.363 55.774 58.100 0.062 0.000 1.114 190 Y CB 1.298 39.771 38.460 0.023 0.000 1.182 190 Y HN 0.468 nan 8.280 nan 0.000 0.463 191 P HA -0.098 nan 4.420 nan 0.000 0.219 191 P C -0.624 176.721 177.300 0.074 0.000 1.150 191 P CA 1.143 64.289 63.100 0.078 0.000 0.814 191 P CB 0.450 32.181 31.700 0.051 0.000 0.787 192 E N -2.438 117.823 120.200 0.100 0.000 2.413 192 E HA 0.455 4.805 4.350 0.001 0.000 0.277 192 E C -0.739 175.891 176.600 0.050 0.000 0.958 192 E CA -0.830 55.605 56.400 0.057 0.000 0.779 192 E CB 1.026 30.754 29.700 0.046 0.000 1.278 192 E HN -0.143 nan 8.360 nan 0.000 0.456 193 L N 0.323 121.533 121.223 -0.022 0.000 2.679 193 L HA 0.836 5.176 4.340 0.001 0.000 0.217 193 L C -0.309 176.583 176.870 0.037 0.000 1.659 193 L CA -0.634 54.164 54.840 -0.070 0.000 2.908 193 L CB 0.579 42.441 42.059 -0.328 0.000 2.698 193 L HN 0.801 nan 8.230 nan 0.000 0.828 194 A N -0.162 122.696 122.820 0.064 0.000 2.401 194 A HA 0.639 4.960 4.320 0.001 0.000 0.313 194 A C -1.069 176.633 177.584 0.197 0.000 1.013 194 A CA -0.073 52.049 52.037 0.142 0.000 1.034 194 A CB 0.187 19.299 19.000 0.187 0.000 1.324 194 A HN 0.442 nan 8.150 nan 0.000 0.366 195 A N 1.335 124.242 122.820 0.144 0.000 2.252 195 A HA 0.780 5.100 4.320 0.001 0.000 0.305 195 A C 0.086 177.792 177.584 0.202 0.000 1.097 195 A CA -0.557 51.592 52.037 0.186 0.000 0.849 195 A CB 0.381 19.454 19.000 0.122 0.000 1.142 195 A HN 2.005 nan 8.150 nan 0.000 0.499 196 L N 1.420 122.781 121.223 0.231 0.000 2.530 196 L HA 0.103 4.444 4.340 0.001 0.000 0.273 196 L C 0.396 177.297 176.870 0.052 0.000 1.141 196 L CA -0.018 54.907 54.840 0.142 0.000 0.905 196 L CB -0.788 41.279 42.059 0.013 0.000 1.202 196 L HN 0.688 nan 8.230 nan 0.000 0.473 197 N N 3.884 122.641 118.700 0.095 0.000 2.394 197 N HA -0.069 4.671 4.740 0.001 0.000 0.277 197 N C 1.002 176.546 175.510 0.056 0.000 1.346 197 N CA 0.516 53.612 53.050 0.077 0.000 0.910 197 N CB 0.692 39.238 38.487 0.099 0.000 1.201 197 N HN 0.518 nan 8.380 nan 0.000 0.488 198 V N 2.544 122.463 119.914 0.008 0.000 2.453 198 V HA -0.136 3.985 4.120 0.001 0.000 0.247 198 V C 2.136 178.243 176.094 0.022 0.000 1.048 198 V CA 1.558 63.834 62.300 -0.041 0.000 1.049 198 V CB -0.702 31.088 31.823 -0.056 0.000 0.672 198 V HN 0.712 nan 8.190 nan 0.000 0.457 199 E N 1.302 121.528 120.200 0.043 0.000 2.076 199 E HA -0.148 4.202 4.350 0.001 0.000 0.190 199 E C 0.707 177.357 176.600 0.083 0.000 0.979 199 E CA 0.930 57.361 56.400 0.052 0.000 0.807 199 E CB -0.778 28.942 29.700 0.033 0.000 0.761 199 E HN 0.537 nan 8.360 nan 0.000 0.454 200 N N 0.665 119.419 118.700 0.091 0.000 3.167 200 N HA 0.135 4.875 4.740 0.001 0.000 0.318 200 N C -1.603 174.001 175.510 0.156 0.000 1.268 200 N CA 0.124 53.229 53.050 0.092 0.000 1.197 200 N CB -0.865 37.667 38.487 0.075 0.000 1.464 200 N HN 0.106 nan 8.380 nan 0.000 0.555 201 F N 0.197 120.129 119.950 -0.030 0.000 2.585 201 F HA 0.423 4.950 4.527 0.001 0.000 0.319 201 F C -0.861 174.893 175.800 -0.078 0.000 1.165 201 F CA -0.819 57.151 58.000 -0.049 0.000 0.949 201 F CB 1.231 40.191 39.000 -0.067 0.000 1.218 201 F HN -0.201 nan 8.300 nan 0.000 0.453 202 K N 3.087 123.112 120.400 -0.626 0.000 2.477 202 K HA 0.485 4.805 4.320 0.001 0.000 0.255 202 K C -0.890 175.246 176.600 -0.773 0.000 0.952 202 K CA -1.141 54.843 56.287 -0.503 0.000 0.826 202 K CB 2.275 34.627 32.500 -0.246 0.000 1.331 202 K HN 0.620 nan 8.250 nan 0.000 0.437 203 T N -1.264 112.924 114.554 -0.609 0.000 2.889 203 T HA 0.281 4.631 4.350 0.001 0.000 0.291 203 T C -0.360 174.210 174.700 -0.217 0.000 0.995 203 T CA -0.760 60.965 62.100 -0.624 0.000 1.092 203 T CB 0.684 69.152 68.868 -0.668 0.000 0.954 203 T HN 0.278 nan 8.240 nan 0.000 0.506 204 D N 2.122 122.530 120.400 0.013 0.000 2.303 204 D HA 0.268 4.909 4.640 0.001 0.000 0.236 204 D C 0.161 176.520 176.300 0.099 0.000 1.068 204 D CA -0.512 53.514 54.000 0.043 0.000 0.830 204 D CB 1.677 42.503 40.800 0.042 0.000 1.109 204 D HN 0.608 nan 8.370 nan 0.000 0.496 205 K N 2.714 123.141 120.400 0.045 0.000 2.494 205 K HA 0.087 4.407 4.320 0.001 0.000 0.273 205 K C -2.156 174.486 176.600 0.069 0.000 0.970 205 K CA -0.736 55.580 56.287 0.048 0.000 0.963 205 K CB 0.346 32.864 32.500 0.029 0.000 0.913 205 K HN 0.219 nan 8.250 nan 0.000 0.502 206 P HA 0.116 nan 4.420 nan 0.000 0.287 206 P C -1.114 176.300 177.300 0.189 0.000 1.270 206 P CA -0.588 62.592 63.100 0.132 0.000 0.844 206 P CB 0.952 32.747 31.700 0.158 0.000 1.068 207 Q N 1.272 121.160 119.800 0.147 0.000 2.414 207 Q HA 0.123 4.463 4.340 0.001 0.000 0.288 207 Q C -1.900 174.173 176.000 0.121 0.000 1.086 207 Q CA -0.998 54.867 55.803 0.104 0.000 0.943 207 Q CB -1.114 27.656 28.738 0.052 0.000 1.282 207 Q HN 0.388 nan 8.270 nan 0.000 0.438 208 P HA -0.071 nan 4.420 nan 0.000 0.268 208 P C 0.826 177.936 177.300 -0.317 0.000 1.208 208 P CA 0.015 63.066 63.100 -0.081 0.000 0.777 208 P CB 0.519 32.182 31.700 -0.062 0.000 0.875 209 V N 2.580 122.052 119.914 -0.735 0.000 2.427 209 V HA -0.223 3.897 4.120 0.001 0.000 0.248 209 V C 1.778 177.663 176.094 -0.349 0.000 1.051 209 V CA 1.860 63.659 62.300 -0.835 0.000 1.048 209 V CB -0.903 30.192 31.823 -1.214 0.000 0.666 209 V HN 0.478 nan 8.190 nan 0.000 0.456 210 N N 0.516 119.067 118.700 -0.248 0.000 2.289 210 N HA -0.134 4.606 4.740 0.001 0.000 0.184 210 N C 1.843 177.294 175.510 -0.098 0.000 1.016 210 N CA 1.443 54.410 53.050 -0.139 0.000 0.872 210 N CB -0.188 38.238 38.487 -0.103 0.000 0.973 210 N HN 0.584 nan 8.380 nan 0.000 0.433 211 A N 1.798 124.560 122.820 -0.097 0.000 1.872 211 A HA -0.013 4.308 4.320 0.001 0.000 0.214 211 A C 2.377 179.930 177.584 -0.051 0.000 1.187 211 A CA 0.690 52.692 52.037 -0.059 0.000 0.614 211 A CB -0.671 18.303 19.000 -0.043 0.000 0.826 211 A HN 0.114 nan 8.150 nan 0.000 0.442 212 L N -1.010 120.171 121.223 -0.069 0.000 2.046 212 L HA -0.187 4.154 4.340 0.001 0.000 0.208 212 L C 2.551 179.399 176.870 -0.036 0.000 1.077 212 L CA 1.088 55.903 54.840 -0.043 0.000 0.747 212 L CB -0.557 41.475 42.059 -0.046 0.000 0.896 212 L HN 0.416 nan 8.230 nan 0.000 0.432 213 L N 0.012 121.200 121.223 -0.059 0.000 2.017 213 L HA -0.226 4.114 4.340 0.001 0.000 0.208 213 L C 2.540 179.402 176.870 -0.013 0.000 1.073 213 L CA 1.855 56.674 54.840 -0.034 0.000 0.745 213 L CB -0.534 41.494 42.059 -0.052 0.000 0.894 213 L HN 0.100 nan 8.230 nan 0.000 0.432 214 K N -0.868 119.519 120.400 -0.022 0.000 2.097 214 K HA -0.234 4.086 4.320 0.001 0.000 0.206 214 K C 2.044 178.644 176.600 0.001 0.000 1.049 214 K CA 1.503 57.785 56.287 -0.008 0.000 0.933 214 K CB -0.054 32.436 32.500 -0.016 0.000 0.717 214 K HN 0.303 nan 8.250 nan 0.000 0.442 215 E N 0.968 121.165 120.200 -0.004 0.000 2.072 215 E HA -0.130 4.221 4.350 0.001 0.000 0.191 215 E C 1.703 178.306 176.600 0.006 0.000 0.985 215 E CA 1.389 57.790 56.400 0.001 0.000 0.801 215 E CB -0.092 29.607 29.700 -0.003 0.000 0.750 215 E HN 0.269 nan 8.360 nan 0.000 0.452 216 A N 0.675 123.499 122.820 0.006 0.000 1.898 216 A HA -0.183 4.137 4.320 0.001 0.000 0.216 216 A C 2.021 179.616 177.584 0.019 0.000 1.181 216 A CA 1.631 53.674 52.037 0.010 0.000 0.620 216 A CB -0.613 18.393 19.000 0.010 0.000 0.819 216 A HN 0.351 nan 8.150 nan 0.000 0.442 217 E N -0.393 119.829 120.200 0.038 0.000 2.331 217 E HA -0.162 4.189 4.350 0.001 0.000 0.199 217 E C 1.513 178.144 176.600 0.050 0.000 1.008 217 E CA 0.978 57.420 56.400 0.070 0.000 0.843 217 E CB 0.074 29.835 29.700 0.102 0.000 0.761 217 E HN 0.401 nan 8.360 nan 0.000 0.507 218 K N -0.238 120.180 120.400 0.030 0.000 2.308 218 K HA 0.118 4.439 4.320 0.001 0.000 0.197 218 K C 1.486 178.095 176.600 0.014 0.000 1.049 218 K CA 0.537 56.838 56.287 0.024 0.000 0.991 218 K CB 0.457 32.968 32.500 0.019 0.000 0.836 218 K HN 0.052 nan 8.250 nan 0.000 0.500 219 R N 0.272 120.778 120.500 0.009 0.000 2.544 219 R HA 0.105 4.445 4.340 0.001 0.000 0.303 219 R C 0.055 176.354 176.300 -0.001 0.000 0.939 219 R CA -0.312 55.791 56.100 0.005 0.000 1.102 219 R CB 0.186 30.489 30.300 0.005 0.000 1.440 219 R HN -0.002 nan 8.270 nan 0.000 0.532 220 N N 2.189 120.885 118.700 -0.006 0.000 2.434 220 N HA -0.032 4.708 4.740 0.001 0.000 0.268 220 N C 1.077 176.576 175.510 -0.018 0.000 1.256 220 N CA 0.162 53.204 53.050 -0.012 0.000 0.914 220 N CB 0.587 39.064 38.487 -0.016 0.000 1.088 220 N HN 0.089 nan 8.380 nan 0.000 0.478 221 L N 2.194 123.410 121.223 -0.012 0.000 2.081 221 L HA -0.221 4.119 4.340 0.001 0.000 0.212 221 L C 2.176 179.037 176.870 -0.015 0.000 1.080 221 L CA 1.051 55.886 54.840 -0.008 0.000 0.754 221 L CB -0.467 41.590 42.059 -0.004 0.000 0.893 221 L HN 0.527 nan 8.230 nan 0.000 0.433 222 S N -0.079 115.608 115.700 -0.022 0.000 2.368 222 S HA -0.158 4.313 4.470 0.001 0.000 0.225 222 S C 1.879 176.449 174.600 -0.050 0.000 1.030 222 S CA 1.196 59.378 58.200 -0.029 0.000 0.999 222 S CB -0.281 62.902 63.200 -0.028 0.000 0.844 222 S HN 0.234 nan 8.310 nan 0.000 0.459 223 L N 1.499 122.679 121.223 -0.070 0.000 2.093 223 L HA 0.027 4.368 4.340 0.001 0.000 0.208 223 L C 2.036 178.853 176.870 -0.088 0.000 1.085 223 L CA 1.200 55.967 54.840 -0.122 0.000 0.755 223 L CB -0.588 41.377 42.059 -0.156 0.000 0.904 223 L HN 0.303 nan 8.230 nan 0.000 0.435 224 L N -0.591 120.605 121.223 -0.046 0.000 2.083 224 L HA -0.221 4.120 4.340 0.001 0.000 0.209 224 L C 2.436 179.299 176.870 -0.011 0.000 1.083 224 L CA 2.137 56.965 54.840 -0.020 0.000 0.752 224 L CB -0.859 41.200 42.059 -0.000 0.000 0.899 224 L HN 0.546 nan 8.230 nan 0.000 0.433 225 Q N -0.572 119.220 119.800 -0.013 0.000 2.123 225 Q HA -0.107 4.233 4.340 0.001 0.000 0.199 225 Q C 2.123 178.115 176.000 -0.014 0.000 0.966 225 Q CA 1.556 57.357 55.803 -0.004 0.000 0.845 225 Q CB -0.227 28.511 28.738 0.000 0.000 0.907 225 Q HN 0.615 nan 8.270 nan 0.000 0.439 226 A N 0.745 123.543 122.820 -0.036 0.000 2.019 226 A HA -0.155 4.165 4.320 0.001 0.000 0.219 226 A C 2.020 179.585 177.584 -0.031 0.000 1.164 226 A CA 1.252 53.263 52.037 -0.044 0.000 0.644 226 A CB -0.341 18.612 19.000 -0.078 0.000 0.805 226 A HN 0.337 nan 8.150 nan 0.000 0.449 227 R N -0.713 119.771 120.500 -0.026 0.000 2.055 227 R HA 0.110 4.451 4.340 0.001 0.000 0.226 227 R C 2.052 178.367 176.300 0.025 0.000 1.135 227 R CA 1.040 57.140 56.100 0.000 0.000 0.959 227 R CB -0.534 29.766 30.300 0.001 0.000 0.854 227 R HN 0.478 nan 8.270 nan 0.000 0.431 228 L N 0.539 121.774 121.223 0.020 0.000 2.081 228 L HA -0.236 4.104 4.340 0.001 0.000 0.212 228 L C 2.367 179.257 176.870 0.033 0.000 1.080 228 L CA 1.311 56.167 54.840 0.027 0.000 0.754 228 L CB -0.449 41.623 42.059 0.022 0.000 0.893 228 L HN 0.183 nan 8.230 nan 0.000 0.433 229 S N -1.057 114.658 115.700 0.025 0.000 2.387 229 S HA -0.220 4.251 4.470 0.001 0.000 0.226 229 S C 1.896 176.530 174.600 0.058 0.000 1.026 229 S CA 1.028 59.246 58.200 0.030 0.000 0.972 229 S CB -0.097 63.111 63.200 0.012 0.000 0.814 229 S HN 0.424 nan 8.310 nan 0.000 0.477 230 Q N 0.869 120.702 119.800 0.055 0.000 2.124 230 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 230 Q C 1.702 177.856 176.000 0.256 0.000 0.977 230 Q CA 1.796 57.663 55.803 0.106 0.000 0.850 230 Q CB -0.181 28.578 28.738 0.036 0.000 0.901 230 Q HN 0.479 nan 8.270 nan 0.000 0.429 231 D N -0.222 120.272 120.400 0.157 0.000 2.117 231 D HA -0.188 4.452 4.640 0.001 0.000 0.197 231 D C 1.858 178.216 176.300 0.096 0.000 0.987 231 D CA 0.889 54.965 54.000 0.127 0.000 0.829 231 D CB -0.132 40.714 40.800 0.075 0.000 0.961 231 D HN 0.281 nan 8.370 nan 0.000 0.460 232 L N 0.292 121.563 121.223 0.080 0.000 2.042 232 L HA -0.060 4.280 4.340 0.001 0.000 0.210 232 L C 2.182 179.100 176.870 0.080 0.000 1.076 232 L CA 1.990 56.865 54.840 0.058 0.000 0.749 232 L CB -0.677 41.406 42.059 0.039 0.000 0.893 232 L HN 0.112 nan 8.230 nan 0.000 0.432 233 A N -0.978 121.932 122.820 0.151 0.000 2.067 233 A HA -0.200 4.120 4.320 0.001 0.000 0.219 233 A C 2.491 180.153 177.584 0.130 0.000 1.158 233 A CA 1.605 53.761 52.037 0.198 0.000 0.661 233 A CB -0.566 18.629 19.000 0.325 0.000 0.801 233 A HN 0.497 nan 8.150 nan 0.000 0.452 234 R N -0.827 119.701 120.500 0.047 0.000 2.112 234 R HA -0.045 4.295 4.340 0.001 0.000 0.216 234 R C 1.957 178.175 176.300 -0.137 0.000 1.080 234 R CA 1.236 57.184 56.100 -0.253 0.000 0.996 234 R CB -0.107 29.992 30.300 -0.335 0.000 0.902 234 R HN 0.411 nan 8.270 nan 0.000 0.449 235 E N 0.833 121.003 120.200 -0.049 0.000 2.150 235 E HA -0.166 4.185 4.350 0.001 0.000 0.193 235 E C 1.718 178.303 176.600 -0.026 0.000 0.985 235 E CA 1.376 57.757 56.400 -0.031 0.000 0.814 235 E CB 0.124 29.820 29.700 -0.006 0.000 0.752 235 E HN 0.358 nan 8.360 nan 0.000 0.466 236 Q N -0.507 119.285 119.800 -0.013 0.000 2.230 236 Q HA -0.035 4.305 4.340 0.001 0.000 0.202 236 Q C 2.050 178.038 176.000 -0.021 0.000 0.963 236 Q CA 0.972 56.772 55.803 -0.006 0.000 0.866 236 Q CB 0.027 28.776 28.738 0.019 0.000 0.931 236 Q HN 0.408 nan 8.270 nan 0.000 0.452 237 I N 0.159 120.701 120.570 -0.047 0.000 2.315 237 I HA -0.257 3.913 4.170 0.001 0.000 0.248 237 I C 2.103 178.188 176.117 -0.054 0.000 1.117 237 I CA 1.066 62.327 61.300 -0.065 0.000 1.404 237 I CB -0.226 37.695 38.000 -0.131 0.000 1.071 237 I HN 0.150 nan 8.210 nan 0.000 0.419 238 R N 0.393 120.859 120.500 -0.056 0.000 2.120 238 R HA -0.197 4.143 4.340 0.001 0.000 0.234 238 R C 2.283 178.571 176.300 -0.020 0.000 1.123 238 R CA 1.112 57.192 56.100 -0.034 0.000 0.975 238 R CB -0.343 29.938 30.300 -0.032 0.000 0.866 238 R HN 0.468 nan 8.270 nan 0.000 0.446 239 Q N 0.638 120.425 119.800 -0.023 0.000 2.084 239 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 239 Q C 2.084 178.064 176.000 -0.034 0.000 0.978 239 Q CA 1.605 57.394 55.803 -0.023 0.000 0.844 239 Q CB -0.064 28.662 28.738 -0.021 0.000 0.898 239 Q HN 0.372 nan 8.270 nan 0.000 0.426 240 A N 0.711 123.511 122.820 -0.033 0.000 1.908 240 A HA -0.248 4.073 4.320 0.001 0.000 0.218 240 A C 1.881 179.436 177.584 -0.048 0.000 1.181 240 A CA 1.736 53.746 52.037 -0.044 0.000 0.627 240 A CB -0.553 18.427 19.000 -0.034 0.000 0.818 240 A HN 0.533 nan 8.150 nan 0.000 0.445 241 Q N -0.681 119.114 119.800 -0.007 0.000 2.369 241 Q HA -0.116 4.224 4.340 0.001 0.000 0.206 241 Q C 0.877 176.915 176.000 0.064 0.000 0.963 241 Q CA 0.937 56.779 55.803 0.064 0.000 0.894 241 Q CB -0.054 28.724 28.738 0.066 0.000 0.965 241 Q HN 0.557 nan 8.270 nan 0.000 0.475 242 D N -0.132 120.267 120.400 -0.001 0.000 2.310 242 D HA -0.070 4.570 4.640 0.001 0.000 0.212 242 D C 1.641 177.910 176.300 -0.051 0.000 0.965 242 D CA 0.823 54.815 54.000 -0.014 0.000 0.879 242 D CB -0.259 40.520 40.800 -0.034 0.000 0.921 242 D HN 0.354 nan 8.370 nan 0.000 0.510 243 G N -0.873 107.856 108.800 -0.119 0.000 2.708 243 G HA2 -0.184 3.777 3.960 0.001 0.000 0.210 243 G HA3 -0.184 3.777 3.960 0.001 0.000 0.210 243 G C 1.038 175.798 174.900 -0.233 0.000 1.141 243 G CA 0.302 45.288 45.100 -0.190 0.000 0.788 243 G HN 0.400 nan 8.290 nan 0.000 0.531 244 H N -1.116 117.938 119.070 -0.028 0.000 2.595 244 H HA 0.333 4.889 4.556 0.001 0.000 0.265 244 H C 0.967 176.293 175.328 -0.003 0.000 0.953 244 H CA -0.432 55.608 56.048 -0.012 0.000 1.197 244 H CB 0.446 30.209 29.762 0.002 0.000 1.438 244 H HN 0.168 nan 8.280 nan 0.000 0.531 245 L N 2.404 123.685 121.223 0.097 0.000 2.418 245 L HA 0.263 4.603 4.340 0.001 0.000 0.265 245 L C -2.033 174.841 176.870 0.007 0.000 1.143 245 L CA -2.161 52.727 54.840 0.082 0.000 0.809 245 L CB 0.518 42.621 42.059 0.072 0.000 1.124 245 L HN 0.031 nan 8.230 nan 0.000 0.456 246 P HA 0.297 nan 4.420 nan 0.000 0.281 246 P C -1.094 176.144 177.300 -0.104 0.000 1.264 246 P CA -0.490 62.528 63.100 -0.138 0.000 0.824 246 P CB 1.228 32.805 31.700 -0.206 0.000 1.092 247 T N -1.162 113.261 114.554 -0.218 0.000 2.861 247 T HA 0.622 4.972 4.350 0.001 0.000 0.287 247 T C -0.913 173.760 174.700 -0.044 0.000 1.003 247 T CA -0.754 61.272 62.100 -0.123 0.000 0.977 247 T CB 0.902 69.683 68.868 -0.145 0.000 0.996 247 T HN 0.231 nan 8.240 nan 0.000 0.448 248 L N 2.557 123.852 121.223 0.120 0.000 2.342 248 L HA 0.644 4.984 4.340 0.001 0.000 0.276 248 L C -1.433 175.518 176.870 0.135 0.000 0.997 248 L CA -0.170 54.781 54.840 0.185 0.000 0.838 248 L CB 1.115 43.358 42.059 0.306 0.000 1.224 248 L HN 0.789 nan 8.230 nan 0.000 0.416 249 D N 3.632 124.087 120.400 0.091 0.000 2.340 249 D HA 0.606 5.246 4.640 0.001 0.000 0.243 249 D C -0.960 175.382 176.300 0.071 0.000 0.988 249 D CA -0.350 53.691 54.000 0.068 0.000 0.959 249 D CB 2.126 42.945 40.800 0.032 0.000 1.226 249 D HN 0.499 nan 8.370 nan 0.000 0.509 250 L N 0.444 121.701 121.223 0.056 0.000 2.346 250 L HA 0.753 5.093 4.340 0.001 0.000 0.274 250 L C -0.944 175.945 176.870 0.033 0.000 1.007 250 L CA -0.275 54.594 54.840 0.048 0.000 0.818 250 L CB 1.581 43.669 42.059 0.049 0.000 1.284 250 L HN 0.664 nan 8.230 nan 0.000 0.424 251 T N 1.392 115.963 114.554 0.029 0.000 2.906 251 T HA 0.892 5.243 4.350 0.001 0.000 0.295 251 T C -0.818 173.893 174.700 0.018 0.000 1.061 251 T CA -0.549 61.563 62.100 0.020 0.000 1.000 251 T CB 1.912 70.790 68.868 0.017 0.000 1.103 251 T HN 0.913 nan 8.240 nan 0.000 0.486 252 A N 1.765 124.593 122.820 0.013 0.000 2.429 252 A HA 0.770 5.090 4.320 0.001 0.000 0.289 252 A C -0.248 177.342 177.584 0.009 0.000 1.043 252 A CA -0.860 51.184 52.037 0.012 0.000 0.722 252 A CB 1.233 20.240 19.000 0.012 0.000 1.243 252 A HN 1.133 nan 8.150 nan 0.000 0.415 253 S N 0.449 116.154 115.700 0.008 0.000 2.689 253 S HA 0.867 5.337 4.470 0.001 0.000 0.306 253 S C -0.222 174.381 174.600 0.006 0.000 1.104 253 S CA -0.777 57.426 58.200 0.006 0.000 0.973 253 S CB 1.916 65.119 63.200 0.005 0.000 1.121 253 S HN 1.026 nan 8.310 nan 0.000 0.523 254 T N 0.789 115.346 114.554 0.005 0.000 3.103 254 T HA 0.566 4.917 4.350 0.001 0.000 0.352 254 T C 0.034 174.737 174.700 0.005 0.000 1.048 254 T CA -0.366 61.737 62.100 0.005 0.000 1.175 254 T CB -0.409 68.463 68.868 0.005 0.000 1.029 254 T HN 0.893 nan 8.240 nan 0.000 0.498 255 G N 2.669 111.472 108.800 0.004 0.000 2.488 255 G HA2 0.798 4.759 3.960 0.001 0.000 0.318 255 G HA3 0.798 4.759 3.960 0.001 0.000 0.318 255 G C -0.910 173.993 174.900 0.004 0.000 1.188 255 G CA -0.612 44.490 45.100 0.004 0.000 0.944 255 G HN 0.728 nan 8.290 nan 0.000 0.495 256 I N 0.337 120.910 120.570 0.004 0.000 2.599 256 I HA 0.219 4.389 4.170 0.001 0.000 0.285 256 I C -0.529 175.590 176.117 0.003 0.000 1.168 256 I CA -0.373 60.931 61.300 0.005 0.000 1.060 256 I CB 2.196 40.201 38.000 0.008 0.000 1.249 256 I HN 0.490 nan 8.210 nan 0.000 0.442 257 S N 4.123 119.823 115.700 0.000 0.000 2.454 257 S HA 0.541 5.012 4.470 0.001 0.000 0.306 257 S C -1.070 173.525 174.600 -0.007 0.000 1.100 257 S CA -0.415 57.780 58.200 -0.007 0.000 1.087 257 S CB 1.106 64.299 63.200 -0.011 0.000 1.019 257 S HN 0.507 nan 8.310 nan 0.000 0.480 258 D N 2.927 123.319 120.400 -0.014 0.000 2.443 258 D HA 0.310 4.951 4.640 0.001 0.000 0.281 258 D C -0.646 175.626 176.300 -0.047 0.000 1.210 258 D CA -0.123 53.869 54.000 -0.013 0.000 0.875 258 D CB 1.236 42.040 40.800 0.007 0.000 1.125 258 D HN 0.432 nan 8.370 nan 0.000 0.503 259 T N 0.265 114.773 114.554 -0.076 0.000 2.904 259 T HA 0.623 4.973 4.350 0.001 0.000 0.290 259 T C 0.218 174.799 174.700 -0.197 0.000 1.018 259 T CA -0.660 61.325 62.100 -0.191 0.000 1.075 259 T CB 1.278 69.999 68.868 -0.246 0.000 0.986 259 T HN 0.214 nan 8.240 nan 0.000 0.523 260 S N 1.077 116.569 115.700 -0.347 0.000 2.562 260 S HA 0.568 5.039 4.470 0.001 0.000 0.274 260 S C -1.689 172.743 174.600 -0.280 0.000 1.160 260 S CA -0.959 57.132 58.200 -0.182 0.000 0.933 260 S CB 0.619 63.804 63.200 -0.026 0.000 1.100 260 S HN 0.531 nan 8.310 nan 0.000 0.468 261 Y N 1.907 122.258 120.300 0.085 0.000 2.519 261 Y HA 0.850 5.400 4.550 0.001 0.000 0.324 261 Y C 1.199 177.151 175.900 0.087 0.000 1.214 261 Y CA 0.065 58.228 58.100 0.106 0.000 1.260 261 Y CB 1.909 40.486 38.460 0.195 0.000 1.311 261 Y HN 1.125 nan 8.280 nan 0.000 0.505 262 S N -0.982 114.857 115.700 0.232 0.000 2.815 262 S HA 0.856 5.326 4.470 0.001 0.000 0.296 262 S C -0.162 174.490 174.600 0.087 0.000 1.224 262 S CA -0.376 57.905 58.200 0.136 0.000 0.938 262 S CB 1.124 64.400 63.200 0.126 0.000 1.285 262 S HN 1.868 nan 8.310 nan 0.000 0.549 263 G N 0.834 109.672 108.800 0.063 0.000 2.587 263 G HA2 0.025 3.985 3.960 0.001 0.000 0.212 263 G HA3 0.025 3.985 3.960 0.001 0.000 0.212 263 G C 0.695 175.592 174.900 -0.005 0.000 1.327 263 G CA 0.728 45.847 45.100 0.032 0.000 0.898 263 G HN 2.075 nan 8.290 nan 0.000 0.551 264 S N -0.570 115.115 115.700 -0.025 0.000 2.398 264 S HA 0.124 4.594 4.470 0.001 0.000 0.220 264 S C 1.640 176.189 174.600 -0.085 0.000 1.046 264 S CA 1.460 59.636 58.200 -0.039 0.000 0.953 264 S CB -0.096 63.090 63.200 -0.024 0.000 0.856 264 S HN 0.712 nan 8.310 nan 0.000 0.506 265 K N 1.349 121.673 120.400 -0.127 0.000 2.699 265 K HA 0.078 4.398 4.320 0.001 0.000 0.205 265 K C 0.858 177.229 176.600 -0.381 0.000 1.008 265 K CA 0.679 56.842 56.287 -0.207 0.000 1.100 265 K CB -0.310 32.069 32.500 -0.201 0.000 0.878 265 K HN 0.475 nan 8.250 nan 0.000 0.496 266 T N -0.642 113.744 114.554 -0.280 0.000 3.040 266 T HA 0.075 4.425 4.350 0.001 0.000 0.266 266 T C 0.709 175.348 174.700 -0.102 0.000 1.005 266 T CA -0.242 61.691 62.100 -0.279 0.000 0.906 266 T CB 0.206 68.990 68.868 -0.141 0.000 1.082 266 T HN 0.110 nan 8.240 nan 0.000 0.531 267 R N 0.566 121.019 120.500 -0.078 0.000 4.394 267 R HA 0.421 4.762 4.340 0.001 0.000 0.257 267 R C 0.847 177.132 176.300 -0.025 0.000 1.727 267 R CA 0.552 56.633 56.100 -0.031 0.000 1.497 267 R CB -0.629 29.658 30.300 -0.022 0.000 1.406 267 R HN 0.404 nan 8.270 nan 0.000 0.745 268 G N -0.955 107.832 108.800 -0.022 0.000 2.456 268 G HA2 -0.197 3.764 3.960 0.001 0.000 0.208 268 G HA3 -0.197 3.764 3.960 0.001 0.000 0.208 268 G C 0.683 175.580 174.900 -0.006 0.000 1.004 268 G CA -0.056 45.039 45.100 -0.008 0.000 0.791 268 G HN 0.382 nan 8.290 nan 0.000 0.537 269 A N 0.715 123.526 122.820 -0.015 0.000 1.986 269 A HA 0.374 4.694 4.320 0.001 0.000 0.220 269 A C 2.602 180.213 177.584 0.047 0.000 1.171 269 A CA 2.747 54.795 52.037 0.018 0.000 0.640 269 A CB -0.722 18.315 19.000 0.061 0.000 0.811 269 A HN 2.440 nan 8.150 nan 0.000 0.451 270 A N -2.667 120.180 122.820 0.046 0.000 2.774 270 A HA -0.111 4.209 4.320 0.001 0.000 0.290 270 A C 1.530 179.133 177.584 0.031 0.000 1.484 270 A CA 1.592 53.649 52.037 0.034 0.000 0.863 270 A CB -1.987 17.025 19.000 0.020 0.000 0.989 270 A HN 1.699 nan 8.150 nan 0.000 0.554 271 G N -2.291 106.537 108.800 0.046 0.000 3.337 271 G HA2 0.365 4.325 3.960 0.001 0.000 0.246 271 G HA3 0.365 4.325 3.960 0.001 0.000 0.246 271 G C 0.789 175.681 174.900 -0.014 0.000 1.131 271 G CA 1.141 46.251 45.100 0.016 0.000 0.773 271 G HN 1.659 nan 8.290 nan 0.000 0.544 272 T N -0.385 114.170 114.554 0.002 0.000 3.728 272 T HA -0.285 4.065 4.350 0.001 0.000 0.355 272 T C 1.696 176.346 174.700 -0.084 0.000 0.760 272 T CA 1.902 63.992 62.100 -0.017 0.000 1.841 272 T CB -1.028 67.834 68.868 -0.011 0.000 1.853 272 T HN 0.636 nan 8.240 nan 0.000 0.743 273 Q N -1.023 118.677 119.800 -0.165 0.000 2.107 273 Q HA 0.065 4.406 4.340 0.001 0.000 0.195 273 Q C 0.957 176.597 176.000 -0.600 0.000 0.964 273 Q CA 1.197 56.752 55.803 -0.414 0.000 0.833 273 Q CB 0.170 28.515 28.738 -0.654 0.000 0.910 273 Q HN 0.809 nan 8.270 nan 0.000 0.465 274 Y N 1.245 121.330 120.300 -0.358 0.000 2.550 274 Y HA 0.083 4.633 4.550 0.001 0.000 0.351 274 Y C -0.291 175.539 175.900 -0.117 0.000 1.160 274 Y CA -0.211 57.569 58.100 -0.532 0.000 1.337 274 Y CB -0.162 38.095 38.460 -0.338 0.000 1.196 274 Y HN -0.038 nan 8.280 nan 0.000 0.498 275 D N 0.399 120.809 120.400 0.018 0.000 2.175 275 D HA 0.096 4.736 4.640 0.001 0.000 0.248 275 D C -0.667 175.743 176.300 0.185 0.000 1.047 275 D CA -0.672 53.394 54.000 0.110 0.000 0.883 275 D CB 0.767 41.596 40.800 0.048 0.000 1.180 275 D HN 0.036 nan 8.370 nan 0.000 0.438 276 D N 0.848 121.355 120.400 0.178 0.000 2.662 276 D HA -0.041 4.600 4.640 0.001 0.000 0.237 276 D C -0.154 176.211 176.300 0.108 0.000 1.154 276 D CA 0.669 54.756 54.000 0.145 0.000 0.861 276 D CB 0.226 41.080 40.800 0.090 0.000 1.146 276 D HN -0.037 nan 8.370 nan 0.000 0.518 277 S N 2.400 118.168 115.700 0.113 0.000 2.489 277 S HA 0.379 4.850 4.470 0.001 0.000 0.291 277 S C -0.378 174.245 174.600 0.038 0.000 1.151 277 S CA -0.851 57.393 58.200 0.073 0.000 1.082 277 S CB 0.418 63.672 63.200 0.091 0.000 1.019 277 S HN 0.282 nan 8.310 nan 0.000 0.492 278 N N 4.418 123.134 118.700 0.027 0.000 2.752 278 N HA 0.234 4.975 4.740 0.001 0.000 0.260 278 N C -0.728 174.789 175.510 0.013 0.000 1.562 278 N CA -0.407 52.654 53.050 0.018 0.000 0.788 278 N CB 0.809 39.308 38.487 0.019 0.000 1.192 278 N HN 0.501 nan 8.380 nan 0.000 0.503 279 M N 0.125 119.731 119.600 0.010 0.000 2.103 279 M HA 0.506 4.986 4.480 0.001 0.000 0.291 279 M C 1.065 177.369 176.300 0.006 0.000 1.216 279 M CA -0.328 54.976 55.300 0.007 0.000 1.132 279 M CB 0.214 32.816 32.600 0.004 0.000 1.396 279 M HN 0.371 nan 8.290 nan 0.000 0.479 280 G N 1.206 110.008 108.800 0.005 0.000 2.078 280 G HA2 0.421 4.382 3.960 0.001 0.000 0.297 280 G HA3 0.421 4.382 3.960 0.001 0.000 0.297 280 G C -1.418 173.485 174.900 0.004 0.000 1.370 280 G CA -0.595 44.508 45.100 0.005 0.000 1.222 280 G HN 0.435 nan 8.290 nan 0.000 0.586 281 Q N 1.276 121.078 119.800 0.004 0.000 2.333 281 Q HA 0.392 4.733 4.340 0.001 0.000 0.267 281 Q C -0.790 175.213 176.000 0.004 0.000 1.012 281 Q CA -0.852 54.953 55.803 0.004 0.000 0.824 281 Q CB 2.383 31.122 28.738 0.003 0.000 1.290 281 Q HN 0.522 nan 8.270 nan 0.000 0.449 282 N N 2.214 120.916 118.700 0.005 0.000 2.422 282 N HA 0.291 5.031 4.740 0.001 0.000 0.266 282 N C -0.742 174.772 175.510 0.006 0.000 1.007 282 N CA -0.152 52.901 53.050 0.006 0.000 0.941 282 N CB 1.170 39.660 38.487 0.006 0.000 1.115 282 N HN 0.188 nan 8.380 nan 0.000 0.492 283 K N 0.455 120.860 120.400 0.007 0.000 2.328 283 K HA 0.739 5.059 4.320 0.001 0.000 0.246 283 K C -0.883 175.723 176.600 0.011 0.000 0.955 283 K CA -1.085 55.208 56.287 0.009 0.000 0.817 283 K CB 2.465 34.970 32.500 0.008 0.000 1.208 283 K HN 0.298 nan 8.250 nan 0.000 0.432 284 V N -2.126 117.795 119.914 0.013 0.000 2.808 284 V HA 0.939 5.059 4.120 0.001 0.000 0.308 284 V C -0.698 175.407 176.094 0.019 0.000 1.099 284 V CA -0.383 61.926 62.300 0.016 0.000 0.920 284 V CB 1.680 33.513 31.823 0.016 0.000 1.014 284 V HN 0.917 nan 8.190 nan 0.000 0.425 285 G N 3.284 112.098 108.800 0.024 0.000 2.677 285 G HA2 0.670 4.631 3.960 0.001 0.000 0.291 285 G HA3 0.670 4.631 3.960 0.001 0.000 0.291 285 G C -1.965 172.959 174.900 0.040 0.000 1.435 285 G CA -0.922 44.195 45.100 0.029 0.000 0.826 285 G HN 1.003 nan 8.290 nan 0.000 0.491 286 L N 1.077 122.330 121.223 0.050 0.000 2.376 286 L HA 0.539 4.879 4.340 0.001 0.000 0.275 286 L C 0.000 176.924 176.870 0.090 0.000 0.987 286 L CA -0.786 54.097 54.840 0.072 0.000 0.828 286 L CB 2.137 44.242 42.059 0.076 0.000 1.249 286 L HN 0.433 nan 8.230 nan 0.000 0.409 287 S N 2.743 118.501 115.700 0.096 0.000 2.442 287 S HA 0.535 5.006 4.470 0.001 0.000 0.297 287 S C -0.837 173.869 174.600 0.176 0.000 1.131 287 S CA -0.350 57.917 58.200 0.112 0.000 1.092 287 S CB 0.777 64.015 63.200 0.063 0.000 0.998 287 S HN 0.365 nan 8.310 nan 0.000 0.478 288 F N 3.487 123.460 119.950 0.038 0.000 2.458 288 F HA 0.658 5.186 4.527 0.001 0.000 0.336 288 F C -0.120 175.705 175.800 0.041 0.000 1.114 288 F CA -0.370 57.659 58.000 0.049 0.000 0.987 288 F CB 1.408 40.437 39.000 0.049 0.000 1.130 288 F HN 0.436 nan 8.300 nan 0.000 0.458 289 S N 7.273 122.618 115.700 -0.592 0.000 2.647 289 S HA 0.668 5.139 4.470 0.001 0.000 0.300 289 S C -1.963 172.293 174.600 -0.574 0.000 1.129 289 S CA -0.607 57.346 58.200 -0.413 0.000 1.029 289 S CB 1.029 64.113 63.200 -0.193 0.000 1.007 289 S HN 0.797 nan 8.310 nan 0.000 0.484 290 L N 6.815 127.821 121.223 -0.362 0.000 2.343 290 L HA 0.742 5.082 4.340 0.001 0.000 0.278 290 L C -2.574 174.267 176.870 -0.049 0.000 0.996 290 L CA -1.473 53.249 54.840 -0.196 0.000 0.831 290 L CB 1.387 43.430 42.059 -0.028 0.000 1.232 290 L HN 0.454 nan 8.230 nan 0.000 0.413 291 P HA 0.427 nan 4.420 nan 0.000 0.275 291 P C 0.003 177.335 177.300 0.053 0.000 1.227 291 P CA -0.165 62.931 63.100 -0.006 0.000 0.781 291 P CB 1.321 32.999 31.700 -0.036 0.000 0.906 292 I N -0.111 120.506 120.570 0.077 0.000 4.046 292 I HA 0.192 4.362 4.170 0.001 0.000 0.285 292 I C -0.436 175.807 176.117 0.209 0.000 1.183 292 I CA 0.120 61.497 61.300 0.129 0.000 1.337 292 I CB 0.446 38.517 38.000 0.117 0.000 1.478 292 I HN 0.229 nan 8.210 nan 0.000 0.452 293 Y N 1.556 121.877 120.300 0.035 0.000 2.358 293 Y HA 0.394 4.945 4.550 0.001 0.000 0.324 293 Y C -0.593 175.317 175.900 0.017 0.000 1.123 293 Y CA -0.677 57.443 58.100 0.033 0.000 1.067 293 Y CB 1.287 39.766 38.460 0.030 0.000 1.230 293 Y HN -0.040 nan 8.280 nan 0.000 0.429 294 Q N 4.427 123.825 119.800 -0.670 0.000 2.211 294 Q HA 0.316 4.657 4.340 0.001 0.000 0.301 294 Q C 0.860 176.510 176.000 -0.582 0.000 0.884 294 Q CA 0.278 55.798 55.803 -0.471 0.000 1.115 294 Q CB 0.806 29.391 28.738 -0.256 0.000 1.217 294 Q HN 1.168 nan 8.270 nan 0.000 0.451 295 G N -0.255 107.888 108.800 -1.095 0.000 2.143 295 G HA2 -0.305 3.655 3.960 0.001 0.000 0.248 295 G HA3 -0.305 3.655 3.960 0.001 0.000 0.248 295 G C 0.660 175.365 174.900 -0.326 0.000 0.991 295 G CA 0.159 44.945 45.100 -0.524 0.000 0.689 295 G HN 0.817 nan 8.290 nan 0.000 0.522 296 G N -0.684 107.830 108.800 -0.477 0.000 2.179 296 G HA2 -0.287 3.673 3.960 0.001 0.000 0.257 296 G HA3 -0.287 3.673 3.960 0.001 0.000 0.257 296 G C 1.141 175.979 174.900 -0.104 0.000 1.010 296 G CA 1.560 46.584 45.100 -0.128 0.000 0.736 296 G HN 1.707 nan 8.290 nan 0.000 0.513 297 M N -0.406 119.096 119.600 -0.164 0.000 2.213 297 M HA -0.018 4.462 4.480 0.001 0.000 0.263 297 M C 2.196 178.426 176.300 -0.117 0.000 1.062 297 M CA 2.371 57.599 55.300 -0.119 0.000 1.105 297 M CB -0.146 32.375 32.600 -0.133 0.000 1.385 297 M HN 0.172 nan 8.290 nan 0.000 0.417 298 V N 1.437 121.254 119.914 -0.162 0.000 2.379 298 V HA -0.213 3.908 4.120 0.001 0.000 0.245 298 V C 2.151 178.180 176.094 -0.108 0.000 1.044 298 V CA 1.697 63.860 62.300 -0.228 0.000 1.036 298 V CB -1.114 30.394 31.823 -0.525 0.000 0.664 298 V HN 0.529 nan 8.190 nan 0.000 0.453 299 N N 0.023 118.719 118.700 -0.007 0.000 2.142 299 N HA -0.130 4.610 4.740 0.001 0.000 0.186 299 N C 2.199 177.722 175.510 0.021 0.000 1.023 299 N CA 1.741 54.825 53.050 0.057 0.000 0.852 299 N CB -0.324 38.218 38.487 0.092 0.000 0.998 299 N HN 0.430 nan 8.380 nan 0.000 0.424 300 S N 0.923 116.629 115.700 0.010 0.000 2.368 300 S HA -0.132 4.339 4.470 0.001 0.000 0.225 300 S C 1.833 176.438 174.600 0.008 0.000 1.030 300 S CA 1.205 59.415 58.200 0.017 0.000 0.999 300 S CB -0.052 63.158 63.200 0.017 0.000 0.844 300 S HN 0.307 nan 8.310 nan 0.000 0.459 301 Q N -0.079 119.711 119.800 -0.018 0.000 2.096 301 Q HA -0.093 4.248 4.340 0.001 0.000 0.204 301 Q C 2.280 178.268 176.000 -0.019 0.000 0.982 301 Q CA 1.864 57.654 55.803 -0.023 0.000 0.850 301 Q CB -0.315 28.391 28.738 -0.053 0.000 0.901 301 Q HN 0.451 nan 8.270 nan 0.000 0.422 302 V N 1.098 120.998 119.914 -0.022 0.000 2.295 302 V HA -0.289 3.831 4.120 0.001 0.000 0.246 302 V C 2.097 178.158 176.094 -0.054 0.000 1.049 302 V CA 1.797 64.083 62.300 -0.023 0.000 1.024 302 V CB -0.395 31.434 31.823 0.010 0.000 0.648 302 V HN 0.320 nan 8.190 nan 0.000 0.447 303 K N -0.570 119.792 120.400 -0.063 0.000 2.009 303 K HA -0.263 4.058 4.320 0.001 0.000 0.210 303 K C 2.273 178.768 176.600 -0.175 0.000 1.049 303 K CA 1.910 58.099 56.287 -0.164 0.000 0.929 303 K CB -0.298 32.144 32.500 -0.098 0.000 0.714 303 K HN 0.515 nan 8.250 nan 0.000 0.440 304 Q N 0.120 119.927 119.800 0.012 0.000 2.029 304 Q HA -0.238 4.102 4.340 0.001 0.000 0.209 304 Q C 2.216 178.259 176.000 0.071 0.000 0.999 304 Q CA 1.981 57.852 55.803 0.114 0.000 0.857 304 Q CB -0.361 28.430 28.738 0.088 0.000 0.926 304 Q HN 0.405 nan 8.270 nan 0.000 0.415 305 A N 0.663 123.497 122.820 0.023 0.000 1.986 305 A HA -0.307 4.014 4.320 0.001 0.000 0.220 305 A C 1.922 179.531 177.584 0.041 0.000 1.171 305 A CA 1.916 53.970 52.037 0.028 0.000 0.640 305 A CB -0.540 18.459 19.000 -0.002 0.000 0.811 305 A HN 0.431 nan 8.150 nan 0.000 0.451 306 Q N -1.918 117.860 119.800 -0.036 0.000 2.083 306 Q HA -0.153 4.187 4.340 0.001 0.000 0.198 306 Q C 1.924 177.943 176.000 0.032 0.000 0.969 306 Q CA 1.634 57.411 55.803 -0.042 0.000 0.838 306 Q CB -0.285 28.340 28.738 -0.188 0.000 0.900 306 Q HN 0.820 nan 8.270 nan 0.000 0.436 307 Y N 0.626 120.979 120.300 0.090 0.000 2.181 307 Y HA -0.217 4.333 4.550 0.001 0.000 0.288 307 Y C 2.095 178.039 175.900 0.074 0.000 1.146 307 Y CA 1.209 59.351 58.100 0.070 0.000 1.164 307 Y CB -0.729 37.757 38.460 0.043 0.000 0.982 307 Y HN 0.187 nan 8.280 nan 0.000 0.515 308 N N -0.270 118.562 118.700 0.221 0.000 2.094 308 N HA -0.257 4.483 4.740 0.001 0.000 0.191 308 N C 1.694 177.307 175.510 0.173 0.000 1.023 308 N CA 1.381 54.526 53.050 0.158 0.000 0.857 308 N CB -0.531 38.032 38.487 0.127 0.000 1.013 308 N HN 0.228 nan 8.380 nan 0.000 0.426 309 F N 0.270 120.244 119.950 0.041 0.000 2.171 309 F HA -0.067 4.460 4.527 0.000 0.000 0.300 309 F C 2.010 177.836 175.800 0.042 0.000 1.090 309 F CA 0.787 58.804 58.000 0.029 0.000 1.293 309 F CB -0.487 38.519 39.000 0.010 0.000 1.013 309 F HN -0.107 nan 8.300 nan 0.000 0.486 310 V N 0.261 120.208 119.914 0.056 0.000 2.295 310 V HA -0.264 3.856 4.120 0.001 0.000 0.246 310 V C 2.787 178.830 176.094 -0.084 0.000 1.049 310 V CA 2.046 64.323 62.300 -0.038 0.000 1.024 310 V CB -1.641 30.244 31.823 0.103 0.000 0.648 310 V HN 0.511 nan 8.190 nan 0.000 0.447 311 G N -0.498 108.297 108.800 -0.008 0.000 2.442 311 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 311 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 311 G C 1.688 176.549 174.900 -0.065 0.000 1.141 311 G CA 1.045 46.133 45.100 -0.020 0.000 0.763 311 G HN 0.637 nan 8.290 nan 0.000 0.554 312 A N 0.164 122.923 122.820 -0.101 0.000 2.066 312 A HA 0.175 4.495 4.320 0.001 0.000 0.218 312 A C 2.625 180.099 177.584 -0.184 0.000 1.157 312 A CA 2.010 53.981 52.037 -0.111 0.000 0.670 312 A CB -0.243 18.716 19.000 -0.069 0.000 0.804 312 A HN 0.306 nan 8.150 nan 0.000 0.453 313 S N -0.593 114.932 115.700 -0.293 0.000 2.371 313 S HA -0.051 4.420 4.470 0.001 0.000 0.221 313 S C 1.901 176.420 174.600 -0.136 0.000 1.036 313 S CA 0.790 58.817 58.200 -0.289 0.000 0.965 313 S CB -0.185 62.762 63.200 -0.421 0.000 0.845 313 S HN 0.555 nan 8.310 nan 0.000 0.475 314 E N 1.786 121.923 120.200 -0.104 0.000 2.085 314 E HA -0.173 4.177 4.350 0.001 0.000 0.194 314 E C 2.121 178.697 176.600 -0.040 0.000 0.994 314 E CA 1.048 57.417 56.400 -0.052 0.000 0.801 314 E CB -0.452 29.227 29.700 -0.037 0.000 0.743 314 E HN 0.563 nan 8.360 nan 0.000 0.453 315 Q N 0.178 119.948 119.800 -0.050 0.000 2.112 315 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 315 Q C 2.386 178.362 176.000 -0.040 0.000 0.987 315 Q CA 1.188 56.968 55.803 -0.038 0.000 0.858 315 Q CB -0.233 28.482 28.738 -0.038 0.000 0.905 315 Q HN 0.161 nan 8.270 nan 0.000 0.420 316 L N 0.851 122.043 121.223 -0.053 0.000 2.012 316 L HA -0.239 4.101 4.340 0.001 0.000 0.210 316 L C 2.248 179.117 176.870 -0.001 0.000 1.073 316 L CA 2.010 56.819 54.840 -0.052 0.000 0.748 316 L CB -0.289 41.740 42.059 -0.050 0.000 0.891 316 L HN 0.145 nan 8.230 nan 0.000 0.431 317 E N -0.569 119.652 120.200 0.036 0.000 2.085 317 E HA -0.210 4.141 4.350 0.001 0.000 0.194 317 E C 2.155 178.793 176.600 0.063 0.000 0.994 317 E CA 1.766 58.219 56.400 0.087 0.000 0.801 317 E CB -0.351 29.373 29.700 0.040 0.000 0.743 317 E HN 0.506 nan 8.360 nan 0.000 0.453 318 S N -0.297 115.414 115.700 0.019 0.000 2.419 318 S HA -0.173 4.297 4.470 0.001 0.000 0.235 318 S C 1.844 176.445 174.600 0.003 0.000 1.019 318 S CA 0.956 59.161 58.200 0.009 0.000 0.982 318 S CB -0.382 62.815 63.200 -0.004 0.000 0.789 318 S HN 0.520 nan 8.310 nan 0.000 0.490 319 A N 1.249 124.054 122.820 -0.024 0.000 1.874 319 A HA -0.083 4.237 4.320 0.001 0.000 0.214 319 A C 1.855 179.400 177.584 -0.065 0.000 1.189 319 A CA 0.983 52.979 52.037 -0.068 0.000 0.615 319 A CB -0.777 18.146 19.000 -0.129 0.000 0.830 319 A HN 0.503 nan 8.150 nan 0.000 0.443 320 H N -0.016 119.049 119.070 -0.009 0.000 2.290 320 H HA -0.094 4.462 4.556 0.001 0.000 0.298 320 H C 2.336 177.660 175.328 -0.007 0.000 1.087 320 H CA 1.882 57.925 56.048 -0.008 0.000 1.291 320 H CB -0.211 29.544 29.762 -0.010 0.000 1.369 320 H HN 0.453 nan 8.280 nan 0.000 0.492 321 R N 0.085 120.658 120.500 0.121 0.000 2.103 321 R HA -0.128 4.212 4.340 0.001 0.000 0.242 321 R C 2.694 179.019 176.300 0.042 0.000 1.142 321 R CA 1.404 57.542 56.100 0.064 0.000 0.960 321 R CB -0.311 30.015 30.300 0.043 0.000 0.858 321 R HN 0.139 nan 8.270 nan 0.000 0.439 322 S N 0.279 115.996 115.700 0.029 0.000 2.368 322 S HA -0.097 4.373 4.470 0.001 0.000 0.225 322 S C 2.028 176.639 174.600 0.019 0.000 1.030 322 S CA 1.344 59.554 58.200 0.017 0.000 0.999 322 S CB -0.069 63.133 63.200 0.003 0.000 0.844 322 S HN 0.140 nan 8.310 nan 0.000 0.459 323 V N 1.368 121.293 119.914 0.019 0.000 2.427 323 V HA -0.080 4.040 4.120 0.001 0.000 0.248 323 V C 2.460 178.574 176.094 0.033 0.000 1.051 323 V CA 1.487 63.799 62.300 0.021 0.000 1.048 323 V CB -0.865 30.967 31.823 0.016 0.000 0.666 323 V HN 0.384 nan 8.190 nan 0.000 0.456 324 V N 0.171 120.112 119.914 0.045 0.000 2.220 324 V HA -0.305 3.815 4.120 0.001 0.000 0.246 324 V C 2.660 178.771 176.094 0.028 0.000 1.049 324 V CA 2.545 64.865 62.300 0.034 0.000 1.003 324 V CB -0.652 31.191 31.823 0.034 0.000 0.634 324 V HN 0.596 nan 8.190 nan 0.000 0.444 325 Q N -0.249 119.569 119.800 0.030 0.000 2.124 325 Q HA -0.211 4.129 4.340 0.001 0.000 0.202 325 Q C 2.126 178.148 176.000 0.036 0.000 0.977 325 Q CA 2.628 58.450 55.803 0.032 0.000 0.850 325 Q CB -0.534 28.221 28.738 0.028 0.000 0.901 325 Q HN 0.693 nan 8.270 nan 0.000 0.429 326 T N 0.602 115.175 114.554 0.031 0.000 2.777 326 T HA -0.067 4.283 4.350 0.001 0.000 0.266 326 T C 1.986 176.712 174.700 0.043 0.000 1.040 326 T CA 1.373 63.492 62.100 0.032 0.000 1.141 326 T CB -0.233 68.649 68.868 0.022 0.000 0.868 326 T HN 0.093 nan 8.240 nan 0.000 0.444 327 V N 1.344 121.281 119.914 0.039 0.000 2.427 327 V HA -0.121 3.999 4.120 0.001 0.000 0.248 327 V C 2.602 178.741 176.094 0.074 0.000 1.051 327 V CA 1.497 63.824 62.300 0.044 0.000 1.048 327 V CB -0.482 31.351 31.823 0.017 0.000 0.666 327 V HN 0.384 nan 8.190 nan 0.000 0.456 328 R N -0.173 120.366 120.500 0.065 0.000 2.060 328 R HA -0.090 4.250 4.340 0.001 0.000 0.225 328 R C 2.577 178.973 176.300 0.160 0.000 1.155 328 R CA 1.586 57.750 56.100 0.107 0.000 0.930 328 R CB -0.851 29.488 30.300 0.065 0.000 0.829 328 R HN 0.390 nan 8.270 nan 0.000 0.433 329 S N 0.776 116.537 115.700 0.101 0.000 2.409 329 S HA -0.253 4.218 4.470 0.001 0.000 0.237 329 S C 2.016 176.669 174.600 0.088 0.000 1.060 329 S CA 1.917 60.167 58.200 0.084 0.000 1.052 329 S CB -0.377 62.856 63.200 0.056 0.000 0.871 329 S HN 0.370 nan 8.310 nan 0.000 0.465 330 S N -0.030 115.728 115.700 0.097 0.000 2.387 330 S HA -0.045 4.426 4.470 0.001 0.000 0.226 330 S C 1.537 176.205 174.600 0.114 0.000 1.026 330 S CA 0.920 59.170 58.200 0.083 0.000 0.972 330 S CB -0.414 62.827 63.200 0.068 0.000 0.814 330 S HN 0.535 nan 8.310 nan 0.000 0.477 331 F N 3.141 123.095 119.950 0.006 0.000 2.051 331 F HA -0.083 4.444 4.527 0.000 0.000 0.296 331 F C 2.000 177.810 175.800 0.017 0.000 1.122 331 F CA 2.003 60.008 58.000 0.009 0.000 1.201 331 F CB -0.923 38.081 39.000 0.008 0.000 0.978 331 F HN 0.190 nan 8.300 nan 0.000 0.472 332 N N 1.233 119.965 118.700 0.054 0.000 2.073 332 N HA -0.272 4.469 4.740 0.001 0.000 0.199 332 N C 1.467 176.913 175.510 -0.106 0.000 1.023 332 N CA 1.911 54.926 53.050 -0.059 0.000 0.880 332 N CB -0.911 37.618 38.487 0.069 0.000 1.052 332 N HN 0.394 nan 8.380 nan 0.000 0.449 333 N N 0.791 119.468 118.700 -0.037 0.000 2.142 333 N HA -0.044 4.697 4.740 0.001 0.000 0.186 333 N C 1.895 177.386 175.510 -0.031 0.000 1.023 333 N CA 0.275 53.313 53.050 -0.019 0.000 0.852 333 N CB -0.337 38.158 38.487 0.014 0.000 0.998 333 N HN 0.321 nan 8.380 nan 0.000 0.424 334 I N 1.074 121.608 120.570 -0.060 0.000 2.361 334 I HA -0.247 3.923 4.170 0.001 0.000 0.251 334 I C 1.357 177.451 176.117 -0.038 0.000 1.133 334 I CA 1.060 62.339 61.300 -0.035 0.000 1.413 334 I CB 0.047 38.009 38.000 -0.063 0.000 1.073 334 I HN 0.052 nan 8.210 nan 0.000 0.424 335 N N 1.226 119.815 118.700 -0.184 0.000 2.142 335 N HA -0.082 4.658 4.740 0.001 0.000 0.186 335 N C 1.773 177.225 175.510 -0.096 0.000 1.023 335 N CA 1.576 54.511 53.050 -0.192 0.000 0.852 335 N CB -0.357 37.916 38.487 -0.357 0.000 0.998 335 N HN 0.401 nan 8.380 nan 0.000 0.424 336 A N -0.475 122.297 122.820 -0.079 0.000 2.066 336 A HA -0.008 4.312 4.320 0.001 0.000 0.218 336 A C 2.367 179.946 177.584 -0.008 0.000 1.157 336 A CA 1.375 53.387 52.037 -0.043 0.000 0.670 336 A CB -0.510 18.473 19.000 -0.028 0.000 0.804 336 A HN 0.265 nan 8.150 nan 0.000 0.453 337 S N -0.723 114.994 115.700 0.028 0.000 2.414 337 S HA 0.027 4.497 4.470 0.001 0.000 0.227 337 S C 1.781 176.429 174.600 0.080 0.000 1.022 337 S CA 0.815 59.070 58.200 0.091 0.000 0.958 337 S CB -0.404 62.894 63.200 0.164 0.000 0.797 337 S HN 0.530 nan 8.310 nan 0.000 0.493 338 I N 0.229 120.827 120.570 0.047 0.000 2.193 338 I HA -0.062 4.109 4.170 0.001 0.000 0.240 338 I C 2.448 178.535 176.117 -0.051 0.000 1.084 338 I CA 0.845 62.130 61.300 -0.024 0.000 1.365 338 I CB -0.493 37.490 38.000 -0.027 0.000 1.064 338 I HN 0.216 nan 8.210 nan 0.000 0.410 339 S N -0.286 115.383 115.700 -0.052 0.000 2.537 339 S HA -0.143 4.327 4.470 0.001 0.000 0.240 339 S C 2.067 176.609 174.600 -0.098 0.000 0.981 339 S CA 1.374 59.531 58.200 -0.072 0.000 0.948 339 S CB -0.205 62.953 63.200 -0.070 0.000 0.759 339 S HN 0.367 nan 8.310 nan 0.000 0.531 340 S N 0.272 115.926 115.700 -0.077 0.000 2.452 340 S HA 0.253 4.723 4.470 0.001 0.000 0.225 340 S C 1.610 176.170 174.600 -0.066 0.000 1.057 340 S CA 0.028 58.156 58.200 -0.121 0.000 0.949 340 S CB -0.151 63.040 63.200 -0.014 0.000 0.836 340 S HN 0.516 nan 8.310 nan 0.000 0.518 341 I N 2.316 122.892 120.570 0.010 0.000 2.335 341 I HA -0.230 3.940 4.170 0.001 0.000 0.251 341 I C 1.975 178.089 176.117 -0.005 0.000 1.129 341 I CA 1.174 62.494 61.300 0.032 0.000 1.402 341 I CB -0.551 37.448 38.000 -0.001 0.000 1.069 341 I HN 0.409 nan 8.210 nan 0.000 0.424 342 N N 0.697 119.366 118.700 -0.051 0.000 2.109 342 N HA -0.111 4.630 4.740 0.001 0.000 0.188 342 N C 2.076 177.540 175.510 -0.076 0.000 1.034 342 N CA 1.097 54.111 53.050 -0.060 0.000 0.846 342 N CB -0.156 38.290 38.487 -0.068 0.000 1.010 342 N HN 0.291 nan 8.380 nan 0.000 0.425 343 A N 0.748 123.480 122.820 -0.146 0.000 1.908 343 A HA -0.167 4.153 4.320 0.001 0.000 0.218 343 A C 1.612 179.097 177.584 -0.165 0.000 1.181 343 A CA 1.350 53.264 52.037 -0.204 0.000 0.627 343 A CB -0.881 17.918 19.000 -0.335 0.000 0.818 343 A HN 0.341 nan 8.150 nan 0.000 0.445 344 Y N -0.217 120.058 120.300 -0.043 0.000 2.373 344 Y HA -0.044 4.507 4.550 0.001 0.000 0.293 344 Y C 2.254 178.115 175.900 -0.065 0.000 1.129 344 Y CA 1.047 59.116 58.100 -0.052 0.000 1.226 344 Y CB -0.323 38.105 38.460 -0.053 0.000 1.000 344 Y HN 0.287 nan 8.280 nan 0.000 0.549 345 K N 0.402 120.844 120.400 0.071 0.000 2.103 345 K HA -0.276 4.045 4.320 0.001 0.000 0.207 345 K C 2.111 178.708 176.600 -0.005 0.000 1.048 345 K CA 1.767 58.062 56.287 0.013 0.000 0.930 345 K CB -0.029 32.467 32.500 -0.006 0.000 0.716 345 K HN 0.415 nan 8.250 nan 0.000 0.444 346 Q N -0.685 119.110 119.800 -0.008 0.000 2.250 346 Q HA 0.027 4.367 4.340 0.001 0.000 0.200 346 Q C 1.684 177.678 176.000 -0.011 0.000 0.941 346 Q CA 0.804 56.596 55.803 -0.018 0.000 0.872 346 Q CB 0.059 28.779 28.738 -0.030 0.000 0.965 346 Q HN 0.321 nan 8.270 nan 0.000 0.480 347 A N 0.070 122.898 122.820 0.013 0.000 2.067 347 A HA -0.075 4.245 4.320 0.001 0.000 0.219 347 A C 2.056 179.640 177.584 -0.001 0.000 1.158 347 A CA 1.090 53.142 52.037 0.025 0.000 0.661 347 A CB -0.503 18.553 19.000 0.093 0.000 0.801 347 A HN 0.336 nan 8.150 nan 0.000 0.452 348 V N -0.948 118.955 119.914 -0.019 0.000 2.379 348 V HA -0.144 3.976 4.120 0.001 0.000 0.245 348 V C 2.438 178.487 176.094 -0.075 0.000 1.044 348 V CA 1.928 64.182 62.300 -0.076 0.000 1.036 348 V CB -0.087 31.673 31.823 -0.105 0.000 0.664 348 V HN 0.318 nan 8.190 nan 0.000 0.453 349 V N -0.046 119.836 119.914 -0.052 0.000 2.287 349 V HA -0.254 3.866 4.120 0.001 0.000 0.248 349 V C 2.817 178.888 176.094 -0.038 0.000 1.053 349 V CA 2.664 64.937 62.300 -0.045 0.000 1.027 349 V CB -0.425 31.378 31.823 -0.034 0.000 0.646 349 V HN 0.758 nan 8.190 nan 0.000 0.447 350 S N 0.245 115.928 115.700 -0.029 0.000 2.353 350 S HA -0.214 4.257 4.470 0.001 0.000 0.222 350 S C 2.115 176.699 174.600 -0.026 0.000 1.035 350 S CA 1.892 60.079 58.200 -0.022 0.000 1.025 350 S CB -0.533 62.658 63.200 -0.015 0.000 0.902 350 S HN 0.655 nan 8.310 nan 0.000 0.440 351 A N 0.503 123.302 122.820 -0.034 0.000 2.076 351 A HA -0.105 4.215 4.320 0.001 0.000 0.220 351 A C 2.146 179.699 177.584 -0.052 0.000 1.160 351 A CA 1.979 53.992 52.037 -0.041 0.000 0.653 351 A CB -0.835 18.131 19.000 -0.057 0.000 0.801 351 A HN 0.654 nan 8.150 nan 0.000 0.455 352 Q N 0.568 120.331 119.800 -0.062 0.000 2.061 352 Q HA -0.085 4.256 4.340 0.001 0.000 0.195 352 Q C 2.303 178.282 176.000 -0.034 0.000 0.967 352 Q CA 2.361 58.125 55.803 -0.064 0.000 0.829 352 Q CB -0.451 28.241 28.738 -0.077 0.000 0.900 352 Q HN 0.673 nan 8.270 nan 0.000 0.450 353 S N -0.991 114.693 115.700 -0.026 0.000 2.423 353 S HA -0.088 4.382 4.470 0.001 0.000 0.231 353 S C 2.111 176.707 174.600 -0.006 0.000 1.014 353 S CA 1.135 59.327 58.200 -0.013 0.000 0.965 353 S CB -0.588 62.604 63.200 -0.012 0.000 0.785 353 S HN 0.326 nan 8.310 nan 0.000 0.495 354 S N 1.064 116.759 115.700 -0.008 0.000 2.383 354 S HA 0.009 4.480 4.470 0.001 0.000 0.227 354 S C 1.714 176.316 174.600 0.004 0.000 1.026 354 S CA 0.931 59.130 58.200 -0.001 0.000 0.981 354 S CB -0.562 62.636 63.200 -0.003 0.000 0.818 354 S HN 0.461 nan 8.310 nan 0.000 0.472 355 L N 2.145 123.368 121.223 -0.000 0.000 2.007 355 L HA 0.006 4.346 4.340 0.001 0.000 0.205 355 L C 1.929 178.809 176.870 0.017 0.000 1.073 355 L CA 2.188 57.033 54.840 0.008 0.000 0.744 355 L CB -1.044 41.020 42.059 0.008 0.000 0.898 355 L HN 0.168 nan 8.230 nan 0.000 0.435 356 D N -0.044 120.364 120.400 0.013 0.000 2.191 356 D HA -0.279 4.362 4.640 0.001 0.000 0.195 356 D C 2.065 178.383 176.300 0.030 0.000 1.003 356 D CA 1.688 55.700 54.000 0.021 0.000 0.867 356 D CB -0.104 40.703 40.800 0.011 0.000 0.926 356 D HN 0.548 nan 8.370 nan 0.000 0.450 357 A N 0.623 123.458 122.820 0.025 0.000 1.873 357 A HA -0.090 4.231 4.320 0.001 0.000 0.215 357 A C 2.152 179.764 177.584 0.047 0.000 1.186 357 A CA 1.115 53.170 52.037 0.030 0.000 0.616 357 A CB -0.383 18.630 19.000 0.022 0.000 0.823 357 A HN 0.170 nan 8.150 nan 0.000 0.442 358 M N -0.716 118.912 119.600 0.047 0.000 2.618 358 M HA 0.052 4.533 4.480 0.001 0.000 0.240 358 M C 1.296 177.657 176.300 0.101 0.000 1.123 358 M CA 0.529 55.869 55.300 0.067 0.000 1.060 358 M CB -0.182 32.443 32.600 0.042 0.000 1.535 358 M HN 0.509 nan 8.290 nan 0.000 0.507 359 E N 0.768 121.026 120.200 0.096 0.000 2.166 359 E HA 0.029 4.380 4.350 0.001 0.000 0.192 359 E C 2.147 178.859 176.600 0.187 0.000 0.967 359 E CA 0.617 57.107 56.400 0.149 0.000 0.840 359 E CB 0.211 29.967 29.700 0.094 0.000 0.795 359 E HN 0.471 nan 8.360 nan 0.000 0.470 360 A N 1.036 123.922 122.820 0.111 0.000 1.898 360 A HA -0.076 4.244 4.320 0.001 0.000 0.216 360 A C 2.347 179.977 177.584 0.077 0.000 1.181 360 A CA 1.654 53.738 52.037 0.079 0.000 0.620 360 A CB -1.033 17.996 19.000 0.049 0.000 0.819 360 A HN 0.348 nan 8.150 nan 0.000 0.442 361 G N -0.972 107.884 108.800 0.094 0.000 2.422 361 G HA2 -0.196 3.765 3.960 0.001 0.000 0.218 361 G HA3 -0.196 3.765 3.960 0.001 0.000 0.218 361 G C 1.450 176.417 174.900 0.112 0.000 1.146 361 G CA 1.247 46.398 45.100 0.085 0.000 0.769 361 G HN 0.661 nan 8.290 nan 0.000 0.547 362 F N 2.606 122.562 119.950 0.009 0.000 2.234 362 F HA 0.028 4.555 4.527 0.001 0.000 0.296 362 F C 2.606 178.412 175.800 0.009 0.000 1.089 362 F CA 1.517 59.523 58.000 0.010 0.000 1.343 362 F CB -0.290 38.716 39.000 0.011 0.000 1.040 362 F HN 0.159 nan 8.300 nan 0.000 0.498 363 S N -0.203 115.287 115.700 -0.350 0.000 2.603 363 S HA 0.048 4.519 4.470 0.001 0.000 0.229 363 S C 0.551 174.995 174.600 -0.259 0.000 0.972 363 S CA 0.604 58.534 58.200 -0.450 0.000 0.935 363 S CB -0.713 62.420 63.200 -0.112 0.000 0.769 363 S HN 0.170 nan 8.310 nan 0.000 0.536 364 V N -0.115 119.696 119.914 -0.172 0.000 2.724 364 V HA 0.669 4.789 4.120 0.001 0.000 0.341 364 V C 1.332 177.378 176.094 -0.080 0.000 1.254 364 V CA -0.397 61.840 62.300 -0.105 0.000 1.261 364 V CB -0.620 31.171 31.823 -0.053 0.000 1.445 364 V HN 0.451 nan 8.190 nan 0.000 0.652 365 G N 1.297 110.031 108.800 -0.111 0.000 2.412 365 G HA2 -0.402 3.558 3.960 0.001 0.000 0.252 365 G HA3 -0.402 3.558 3.960 0.001 0.000 0.252 365 G C 1.008 175.901 174.900 -0.013 0.000 1.038 365 G CA 1.434 46.498 45.100 -0.060 0.000 0.628 365 G HN 0.469 nan 8.290 nan 0.000 0.531 366 T N 0.387 114.942 114.554 0.002 0.000 2.652 366 T HA 0.186 4.537 4.350 0.001 0.000 0.267 366 T C 1.247 175.976 174.700 0.047 0.000 1.039 366 T CA 1.875 63.989 62.100 0.024 0.000 1.153 366 T CB -0.136 68.748 68.868 0.026 0.000 0.863 366 T HN 0.532 nan 8.240 nan 0.000 0.428 367 S N 0.158 115.908 115.700 0.083 0.000 2.568 367 S HA 0.500 4.970 4.470 0.001 0.000 0.293 367 S C 0.127 174.831 174.600 0.174 0.000 1.089 367 S CA -1.014 57.248 58.200 0.103 0.000 0.945 367 S CB 1.983 65.237 63.200 0.090 0.000 1.077 367 S HN 0.585 nan 8.310 nan 0.000 0.485 368 T N -0.304 114.335 114.554 0.141 0.000 2.667 368 T HA 0.279 4.629 4.350 0.001 0.000 0.305 368 T C 1.265 176.080 174.700 0.192 0.000 1.022 368 T CA -0.448 61.760 62.100 0.180 0.000 0.995 368 T CB 0.147 69.075 68.868 0.099 0.000 1.026 368 T HN 0.560 nan 8.240 nan 0.000 0.527 369 I N -0.206 120.445 120.570 0.135 0.000 2.617 369 I HA -0.020 4.150 4.170 0.001 0.000 0.256 369 I C 1.840 177.881 176.117 -0.125 0.000 1.167 369 I CA 0.667 61.853 61.300 -0.189 0.000 1.469 369 I CB -0.027 37.859 38.000 -0.190 0.000 1.098 369 I HN 0.454 nan 8.210 nan 0.000 0.436 370 V N 0.866 120.761 119.914 -0.030 0.000 3.380 370 V HA -0.155 3.965 4.120 0.001 0.000 0.268 370 V C 1.500 177.585 176.094 -0.015 0.000 1.168 370 V CA 1.253 63.540 62.300 -0.023 0.000 1.156 370 V CB -0.661 31.162 31.823 -0.000 0.000 0.785 370 V HN 0.384 nan 8.190 nan 0.000 0.487 371 D N -0.671 119.725 120.400 -0.007 0.000 2.216 371 D HA -0.032 4.608 4.640 0.001 0.000 0.208 371 D C 2.047 178.333 176.300 -0.024 0.000 0.960 371 D CA 0.774 54.775 54.000 0.002 0.000 0.861 371 D CB 0.182 41.001 40.800 0.032 0.000 0.985 371 D HN 0.246 nan 8.370 nan 0.000 0.493 372 V N 0.563 120.432 119.914 -0.076 0.000 2.591 372 V HA -0.068 4.052 4.120 0.001 0.000 0.249 372 V C 2.158 178.190 176.094 -0.104 0.000 1.053 372 V CA 0.874 63.103 62.300 -0.119 0.000 1.068 372 V CB -0.103 31.544 31.823 -0.293 0.000 0.689 372 V HN 0.151 nan 8.190 nan 0.000 0.462 373 L N -0.411 120.749 121.223 -0.105 0.000 1.988 373 L HA -0.127 4.213 4.340 0.001 0.000 0.207 373 L C 2.415 179.268 176.870 -0.028 0.000 1.071 373 L CA 1.993 56.792 54.840 -0.068 0.000 0.744 373 L CB -0.919 41.103 42.059 -0.062 0.000 0.893 373 L HN 0.309 nan 8.230 nan 0.000 0.433 374 D N 0.691 121.079 120.400 -0.021 0.000 2.126 374 D HA -0.230 4.411 4.640 0.001 0.000 0.190 374 D C 2.157 178.460 176.300 0.005 0.000 1.001 374 D CA 1.721 55.718 54.000 -0.005 0.000 0.841 374 D CB -0.292 40.507 40.800 -0.003 0.000 0.949 374 D HN 0.329 nan 8.370 nan 0.000 0.446 375 A N 0.034 122.855 122.820 0.002 0.000 1.978 375 A HA -0.180 4.140 4.320 0.001 0.000 0.220 375 A C 2.336 179.935 177.584 0.026 0.000 1.170 375 A CA 2.122 54.165 52.037 0.009 0.000 0.636 375 A CB -0.805 18.197 19.000 0.004 0.000 0.810 375 A HN 0.254 nan 8.150 nan 0.000 0.448 376 T N -0.955 113.621 114.554 0.037 0.000 2.698 376 T HA -0.089 4.261 4.350 0.001 0.000 0.260 376 T C 2.093 176.887 174.700 0.157 0.000 1.044 376 T CA 1.780 63.941 62.100 0.102 0.000 1.149 376 T CB -0.564 68.342 68.868 0.063 0.000 0.864 376 T HN 0.494 nan 8.240 nan 0.000 0.419 377 T N 1.700 116.298 114.554 0.073 0.000 2.649 377 T HA -0.186 4.164 4.350 0.001 0.000 0.268 377 T C 2.177 176.923 174.700 0.077 0.000 1.036 377 T CA 1.991 64.128 62.100 0.061 0.000 1.157 377 T CB -0.759 68.119 68.868 0.016 0.000 0.861 377 T HN 0.384 nan 8.240 nan 0.000 0.445 378 T N 1.808 116.390 114.554 0.046 0.000 2.720 378 T HA -0.074 4.276 4.350 0.001 0.000 0.268 378 T C 1.860 176.562 174.700 0.004 0.000 1.037 378 T CA 1.211 63.325 62.100 0.023 0.000 1.144 378 T CB -0.472 68.404 68.868 0.012 0.000 0.864 378 T HN 0.194 nan 8.240 nan 0.000 0.444 379 L N 0.126 121.348 121.223 -0.000 0.000 1.989 379 L HA -0.125 4.216 4.340 0.001 0.000 0.211 379 L C 2.050 178.794 176.870 -0.210 0.000 1.071 379 L CA 1.855 56.625 54.840 -0.116 0.000 0.749 379 L CB -0.712 41.245 42.059 -0.169 0.000 0.890 379 L HN 0.317 nan 8.230 nan 0.000 0.431 380 Y N -0.261 119.961 120.300 -0.130 0.000 2.421 380 Y HA -0.179 4.371 4.550 0.001 0.000 0.292 380 Y C 2.340 178.148 175.900 -0.154 0.000 1.136 380 Y CA 1.192 59.185 58.100 -0.178 0.000 1.255 380 Y CB -0.482 37.913 38.460 -0.107 0.000 0.991 380 Y HN 0.379 nan 8.280 nan 0.000 0.552 381 N N -0.029 118.678 118.700 0.012 0.000 2.135 381 N HA -0.118 4.623 4.740 0.001 0.000 0.186 381 N C 2.043 177.481 175.510 -0.120 0.000 1.027 381 N CA 1.351 54.380 53.050 -0.034 0.000 0.849 381 N CB -0.698 37.781 38.487 -0.014 0.000 1.002 381 N HN 0.317 nan 8.380 nan 0.000 0.425 382 A N 1.372 124.117 122.820 -0.125 0.000 1.933 382 A HA -0.109 4.211 4.320 0.001 0.000 0.218 382 A C 2.070 179.520 177.584 -0.224 0.000 1.175 382 A CA 1.152 53.096 52.037 -0.155 0.000 0.628 382 A CB -0.272 18.687 19.000 -0.068 0.000 0.814 382 A HN 0.069 nan 8.150 nan 0.000 0.444 383 K N -0.313 119.904 120.400 -0.305 0.000 2.063 383 K HA -0.181 4.140 4.320 0.001 0.000 0.208 383 K C 2.233 178.640 176.600 -0.321 0.000 1.048 383 K CA 1.772 57.761 56.287 -0.496 0.000 0.928 383 K CB -0.283 31.663 32.500 -0.923 0.000 0.713 383 K HN 0.684 nan 8.250 nan 0.000 0.442 384 Q N 0.165 119.885 119.800 -0.134 0.000 1.969 384 Q HA -0.155 4.186 4.340 0.001 0.000 0.198 384 Q C 2.042 178.008 176.000 -0.056 0.000 0.978 384 Q CA 1.056 56.928 55.803 0.116 0.000 0.830 384 Q CB -0.113 28.695 28.738 0.116 0.000 0.896 384 Q HN 0.168 nan 8.270 nan 0.000 0.431 385 E N 0.840 120.907 120.200 -0.223 0.000 2.208 385 E HA -0.237 4.113 4.350 0.001 0.000 0.202 385 E C 1.710 178.006 176.600 -0.506 0.000 1.014 385 E CA 0.930 57.041 56.400 -0.480 0.000 0.819 385 E CB -0.218 28.967 29.700 -0.858 0.000 0.735 385 E HN 0.189 nan 8.360 nan 0.000 0.469 386 L N -0.011 121.013 121.223 -0.333 0.000 1.973 386 L HA -0.030 4.311 4.340 0.001 0.000 0.208 386 L C 2.177 178.955 176.870 -0.153 0.000 1.073 386 L CA 2.510 57.259 54.840 -0.152 0.000 0.746 386 L CB -1.218 40.782 42.059 -0.097 0.000 0.891 386 L HN 0.116 nan 8.230 nan 0.000 0.433 387 A N -0.426 122.314 122.820 -0.134 0.000 1.978 387 A HA -0.285 4.035 4.320 0.001 0.000 0.220 387 A C 2.149 179.539 177.584 -0.323 0.000 1.170 387 A CA 1.943 53.824 52.037 -0.261 0.000 0.636 387 A CB -1.252 17.690 19.000 -0.097 0.000 0.810 387 A HN 0.748 nan 8.150 nan 0.000 0.448 388 N N 0.295 118.939 118.700 -0.093 0.000 2.084 388 N HA -0.082 4.658 4.740 0.001 0.000 0.190 388 N C 1.743 177.250 175.510 -0.005 0.000 1.030 388 N CA 2.102 55.166 53.050 0.024 0.000 0.849 388 N CB -0.406 38.096 38.487 0.026 0.000 1.012 388 N HN 0.311 nan 8.380 nan 0.000 0.423 389 A N 0.527 123.326 122.820 -0.036 0.000 1.978 389 A HA -0.127 4.193 4.320 0.001 0.000 0.220 389 A C 2.267 179.861 177.584 0.016 0.000 1.170 389 A CA 1.181 53.246 52.037 0.047 0.000 0.636 389 A CB -0.600 18.489 19.000 0.150 0.000 0.810 389 A HN 0.370 nan 8.150 nan 0.000 0.448 390 R N -1.753 118.652 120.500 -0.158 0.000 2.070 390 R HA -0.163 4.178 4.340 0.001 0.000 0.233 390 R C 2.037 178.255 176.300 -0.137 0.000 1.137 390 R CA 1.879 57.823 56.100 -0.259 0.000 0.945 390 R CB -0.547 29.316 30.300 -0.729 0.000 0.845 390 R HN 0.643 nan 8.270 nan 0.000 0.430 391 Y N 1.266 121.488 120.300 -0.129 0.000 2.114 391 Y HA -0.240 4.310 4.550 0.001 0.000 0.282 391 Y C 2.172 178.038 175.900 -0.056 0.000 1.165 391 Y CA 1.138 59.117 58.100 -0.201 0.000 1.148 391 Y CB -0.802 37.561 38.460 -0.160 0.000 0.972 391 Y HN 0.100 nan 8.280 nan 0.000 0.504 392 N N -0.805 117.997 118.700 0.171 0.000 2.137 392 N HA -0.247 4.494 4.740 0.001 0.000 0.190 392 N C 1.787 177.384 175.510 0.145 0.000 1.017 392 N CA 1.579 54.717 53.050 0.147 0.000 0.859 392 N CB -0.998 37.566 38.487 0.129 0.000 1.002 392 N HN 0.555 nan 8.380 nan 0.000 0.428 393 Y N 1.440 121.776 120.300 0.060 0.000 2.145 393 Y HA -0.106 4.444 4.550 0.000 0.000 0.286 393 Y C 2.133 178.076 175.900 0.072 0.000 1.145 393 Y CA 1.337 59.478 58.100 0.068 0.000 1.148 393 Y CB -0.506 38.018 38.460 0.107 0.000 0.981 393 Y HN -0.029 nan 8.280 nan 0.000 0.507 394 L N 0.027 121.293 121.223 0.071 0.000 1.990 394 L HA -0.292 4.048 4.340 0.001 0.000 0.213 394 L C 2.539 179.401 176.870 -0.013 0.000 1.072 394 L CA 1.984 56.803 54.840 -0.036 0.000 0.755 394 L CB -0.666 41.344 42.059 -0.082 0.000 0.889 394 L HN 0.326 nan 8.230 nan 0.000 0.432 395 I N -0.267 120.349 120.570 0.076 0.000 2.493 395 I HA -0.249 3.921 4.170 0.001 0.000 0.254 395 I C 2.020 178.151 176.117 0.022 0.000 1.160 395 I CA 0.789 62.160 61.300 0.117 0.000 1.445 395 I CB -0.232 37.870 38.000 0.170 0.000 1.086 395 I HN 0.328 nan 8.210 nan 0.000 0.433 396 N N 0.302 118.980 118.700 -0.035 0.000 2.409 396 N HA -0.122 4.618 4.740 0.001 0.000 0.179 396 N C 1.698 177.136 175.510 -0.119 0.000 1.032 396 N CA 0.800 53.814 53.050 -0.059 0.000 0.898 396 N CB 0.014 38.472 38.487 -0.049 0.000 0.971 396 N HN 0.452 nan 8.380 nan 0.000 0.441 397 Q N -0.402 119.270 119.800 -0.215 0.000 2.172 397 Q HA -0.012 4.328 4.340 0.001 0.000 0.200 397 Q C 1.265 177.208 176.000 -0.094 0.000 0.964 397 Q CA 0.671 56.349 55.803 -0.208 0.000 0.855 397 Q CB 0.171 28.727 28.738 -0.302 0.000 0.918 397 Q HN 0.174 nan 8.270 nan 0.000 0.444 398 L N 0.404 121.592 121.223 -0.059 0.000 2.162 398 L HA -0.075 4.265 4.340 0.001 0.000 0.205 398 L C 1.481 178.337 176.870 -0.023 0.000 1.086 398 L CA 1.540 56.362 54.840 -0.031 0.000 0.778 398 L CB -0.575 41.483 42.059 -0.002 0.000 0.928 398 L HN 0.178 nan 8.230 nan 0.000 0.446 399 N N -0.493 118.198 118.700 -0.015 0.000 2.166 399 N HA -0.173 4.567 4.740 0.001 0.000 0.186 399 N C 1.749 177.259 175.510 -0.001 0.000 1.019 399 N CA 1.058 54.106 53.050 -0.003 0.000 0.856 399 N CB 0.018 38.510 38.487 0.007 0.000 0.993 399 N HN 0.222 nan 8.380 nan 0.000 0.426 400 I N 1.241 121.808 120.570 -0.005 0.000 2.226 400 I HA -0.214 3.956 4.170 0.001 0.000 0.245 400 I C 1.954 178.072 176.117 0.001 0.000 1.100 400 I CA 1.245 62.551 61.300 0.011 0.000 1.374 400 I CB -0.712 37.298 38.000 0.017 0.000 1.057 400 I HN 0.156 nan 8.210 nan 0.000 0.413 401 K N 0.708 121.100 120.400 -0.014 0.000 2.097 401 K HA -0.104 4.216 4.320 0.001 0.000 0.205 401 K C 2.329 178.919 176.600 -0.017 0.000 1.050 401 K CA 1.141 57.417 56.287 -0.018 0.000 0.938 401 K CB -0.348 32.133 32.500 -0.032 0.000 0.718 401 K HN 0.196 nan 8.250 nan 0.000 0.442 402 S N 0.889 116.579 115.700 -0.017 0.000 2.348 402 S HA -0.126 4.344 4.470 0.001 0.000 0.221 402 S C 2.095 176.690 174.600 -0.008 0.000 1.033 402 S CA 1.366 59.557 58.200 -0.016 0.000 1.010 402 S CB -0.185 63.007 63.200 -0.014 0.000 0.891 402 S HN 0.375 nan 8.310 nan 0.000 0.442 403 A N 1.384 124.204 122.820 -0.000 0.000 1.978 403 A HA -0.014 4.306 4.320 0.001 0.000 0.220 403 A C 2.180 179.766 177.584 0.003 0.000 1.170 403 A CA 1.361 53.401 52.037 0.005 0.000 0.636 403 A CB -0.748 18.262 19.000 0.016 0.000 0.810 403 A HN 0.584 nan 8.150 nan 0.000 0.448 404 L N -1.739 119.484 121.223 0.001 0.000 2.141 404 L HA -0.011 4.329 4.340 0.001 0.000 0.209 404 L C 1.940 178.807 176.870 -0.004 0.000 1.094 404 L CA 1.045 55.885 54.840 -0.000 0.000 0.763 404 L CB -0.589 41.470 42.059 -0.001 0.000 0.908 404 L HN 0.659 nan 8.230 nan 0.000 0.437 405 G N -0.283 108.512 108.800 -0.008 0.000 2.141 405 G HA2 -0.314 3.646 3.960 0.001 0.000 0.242 405 G HA3 -0.314 3.646 3.960 0.001 0.000 0.242 405 G C 0.817 175.710 174.900 -0.012 0.000 0.982 405 G CA 0.699 45.793 45.100 -0.010 0.000 0.662 405 G HN 0.388 nan 8.290 nan 0.000 0.527 406 T N -1.959 112.586 114.554 -0.015 0.000 3.023 406 T HA 0.462 4.812 4.350 0.001 0.000 0.253 406 T C 1.167 175.850 174.700 -0.029 0.000 1.038 406 T CA 0.558 62.648 62.100 -0.017 0.000 0.962 406 T CB 0.264 69.124 68.868 -0.013 0.000 1.018 406 T HN 1.066 nan 8.240 nan 0.000 0.521 407 L N 4.532 125.734 121.223 -0.036 0.000 2.700 407 L HA 0.257 4.597 4.340 0.001 0.000 0.276 407 L C -0.063 176.767 176.870 -0.066 0.000 1.200 407 L CA 0.391 55.198 54.840 -0.054 0.000 0.951 407 L CB -1.048 40.977 42.059 -0.056 0.000 1.226 407 L HN 0.788 nan 8.230 nan 0.000 0.489 408 N N 0.773 119.422 118.700 -0.085 0.000 3.243 408 N HA 0.238 4.978 4.740 0.001 0.000 0.280 408 N C 0.204 175.630 175.510 -0.140 0.000 1.545 408 N CA -0.330 52.667 53.050 -0.087 0.000 0.854 408 N CB 0.333 38.792 38.487 -0.048 0.000 1.612 408 N HN 0.414 nan 8.380 nan 0.000 0.577 409 E N -1.184 118.946 120.200 -0.118 0.000 2.153 409 E HA -0.206 4.144 4.350 0.001 0.000 0.194 409 E C 0.899 177.426 176.600 -0.122 0.000 0.988 409 E CA 1.361 57.668 56.400 -0.155 0.000 0.811 409 E CB 0.077 29.765 29.700 -0.020 0.000 0.746 409 E HN 0.473 nan 8.360 nan 0.000 0.466 410 Q N 0.683 120.439 119.800 -0.074 0.000 2.119 410 Q HA -0.146 4.195 4.340 0.001 0.000 0.201 410 Q C 1.649 177.612 176.000 -0.062 0.000 0.972 410 Q CA 1.060 56.832 55.803 -0.052 0.000 0.847 410 Q CB -0.260 28.459 28.738 -0.031 0.000 0.903 410 Q HN 0.376 nan 8.270 nan 0.000 0.433 411 D N 0.452 120.806 120.400 -0.077 0.000 2.149 411 D HA -0.108 4.533 4.640 0.001 0.000 0.198 411 D C 2.046 178.295 176.300 -0.086 0.000 0.990 411 D CA 0.700 54.656 54.000 -0.073 0.000 0.839 411 D CB 0.026 40.780 40.800 -0.077 0.000 0.948 411 D HN 0.229 nan 8.370 nan 0.000 0.460 412 L N 0.057 121.194 121.223 -0.144 0.000 2.072 412 L HA -0.122 4.219 4.340 0.001 0.000 0.205 412 L C 2.465 179.271 176.870 -0.106 0.000 1.079 412 L CA 0.313 55.051 54.840 -0.169 0.000 0.752 412 L CB -0.282 41.588 42.059 -0.315 0.000 0.906 412 L HN 0.051 nan 8.230 nan 0.000 0.436 413 L N 0.271 121.444 121.223 -0.083 0.000 2.042 413 L HA -0.211 4.129 4.340 0.001 0.000 0.210 413 L C 2.600 179.458 176.870 -0.020 0.000 1.076 413 L CA 2.043 56.858 54.840 -0.042 0.000 0.749 413 L CB -0.535 41.508 42.059 -0.027 0.000 0.893 413 L HN 0.173 nan 8.230 nan 0.000 0.432 414 A N -1.019 121.790 122.820 -0.017 0.000 1.930 414 A HA -0.160 4.161 4.320 0.001 0.000 0.217 414 A C 2.303 179.901 177.584 0.024 0.000 1.175 414 A CA 1.729 53.767 52.037 0.002 0.000 0.627 414 A CB -0.848 18.150 19.000 -0.003 0.000 0.815 414 A HN 0.473 nan 8.150 nan 0.000 0.443 415 L N -0.303 120.935 121.223 0.026 0.000 2.201 415 L HA -0.151 4.189 4.340 0.001 0.000 0.212 415 L C 2.236 179.161 176.870 0.092 0.000 1.105 415 L CA 1.436 56.325 54.840 0.082 0.000 0.775 415 L CB -0.276 41.842 42.059 0.099 0.000 0.913 415 L HN 0.510 nan 8.230 nan 0.000 0.440 416 N N 0.052 118.769 118.700 0.028 0.000 2.120 416 N HA -0.205 4.535 4.740 0.001 0.000 0.188 416 N C 1.480 177.023 175.510 0.055 0.000 1.024 416 N CA 1.422 54.482 53.050 0.017 0.000 0.852 416 N CB -0.038 38.436 38.487 -0.022 0.000 1.003 416 N HN 0.256 nan 8.380 nan 0.000 0.424 417 N N 0.031 118.760 118.700 0.049 0.000 2.364 417 N HA -0.064 4.676 4.740 0.001 0.000 0.183 417 N C 0.688 176.245 175.510 0.078 0.000 1.022 417 N CA 1.003 54.085 53.050 0.053 0.000 0.883 417 N CB -0.340 38.169 38.487 0.038 0.000 0.965 417 N HN 0.331 nan 8.380 nan 0.000 0.438 418 A N -0.134 122.751 122.820 0.108 0.000 2.337 418 A HA 0.321 4.642 4.320 0.001 0.000 0.227 418 A C 0.129 177.820 177.584 0.178 0.000 1.259 418 A CA -0.138 51.988 52.037 0.148 0.000 0.870 418 A CB -0.477 18.631 19.000 0.181 0.000 0.927 418 A HN 0.241 nan 8.150 nan 0.000 0.497 419 L N -4.667 116.649 121.223 0.156 0.000 2.376 419 L HA 0.907 5.248 4.340 0.001 0.000 0.258 419 L C 0.198 177.143 176.870 0.124 0.000 1.013 419 L CA 0.207 55.146 54.840 0.164 0.000 0.822 419 L CB 1.656 43.855 42.059 0.233 0.000 1.388 419 L HN 0.086 nan 8.230 nan 0.000 0.413 420 S N -1.391 114.377 115.700 0.113 0.000 2.961 420 S HA 0.194 4.665 4.470 0.001 0.000 0.253 420 S C 0.350 174.997 174.600 0.078 0.000 1.029 420 S CA -0.223 58.029 58.200 0.087 0.000 1.087 420 S CB -0.356 62.887 63.200 0.071 0.000 0.932 420 S HN 0.637 nan 8.310 nan 0.000 0.418 421 K N 4.053 124.497 120.400 0.075 0.000 2.378 421 K HA 0.323 4.644 4.320 0.001 0.000 0.288 421 K C -2.909 173.727 176.600 0.060 0.000 1.057 421 K CA -1.929 54.393 56.287 0.059 0.000 0.971 421 K CB 0.340 32.870 32.500 0.050 0.000 0.975 421 K HN 0.107 nan 8.250 nan 0.000 0.475 422 P HA 0.011 nan 4.420 nan 0.000 0.269 422 P C -1.129 176.189 177.300 0.031 0.000 1.252 422 P CA -0.227 62.901 63.100 0.046 0.000 0.780 422 P CB 0.801 32.528 31.700 0.045 0.000 0.829 423 V N 3.043 122.968 119.914 0.020 0.000 2.547 423 V HA 0.351 4.471 4.120 0.001 0.000 0.299 423 V C 0.635 176.725 176.094 -0.007 0.000 1.040 423 V CA -0.590 61.711 62.300 0.002 0.000 0.913 423 V CB 1.919 33.736 31.823 -0.010 0.000 0.992 423 V HN 0.428 nan 8.190 nan 0.000 0.449 424 S N 1.836 117.532 115.700 -0.008 0.000 2.565 424 S HA 0.154 4.625 4.470 0.001 0.000 0.276 424 S C 1.210 175.799 174.600 -0.019 0.000 1.326 424 S CA 0.242 58.439 58.200 -0.006 0.000 1.045 424 S CB 1.014 64.211 63.200 -0.005 0.000 0.918 424 S HN 1.079 nan 8.310 nan 0.000 0.505 425 T N 1.097 115.645 114.554 -0.009 0.000 3.086 425 T HA 0.226 4.576 4.350 0.001 0.000 0.250 425 T C 0.478 175.170 174.700 -0.013 0.000 1.074 425 T CA -0.069 62.022 62.100 -0.015 0.000 0.988 425 T CB -0.219 68.656 68.868 0.011 0.000 0.988 425 T HN 0.473 nan 8.240 nan 0.000 0.530 426 N N 2.005 120.696 118.700 -0.015 0.000 2.646 426 N HA 0.357 5.097 4.740 0.001 0.000 0.303 426 N C -3.136 172.360 175.510 -0.024 0.000 1.921 426 N CA -1.627 51.410 53.050 -0.022 0.000 0.872 426 N CB 0.612 39.084 38.487 -0.025 0.000 1.327 426 N HN 0.195 nan 8.380 nan 0.000 0.492 427 P HA 0.031 nan 4.420 nan 0.000 0.262 427 P C 0.276 177.561 177.300 -0.025 0.000 1.182 427 P CA 0.383 63.469 63.100 -0.024 0.000 0.761 427 P CB 0.689 32.372 31.700 -0.028 0.000 0.795 428 E N 0.000 120.187 120.200 -0.022 0.000 2.725 428 E HA 0.000 4.350 4.350 0.001 0.000 0.291 428 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 428 E CB 0.000 29.689 29.700 -0.019 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440