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 1q2v_1_D DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDCATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.087 176.094 -0.011 0.000 1.182 9 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 9 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 10 V N 8.497 128.404 119.914 -0.011 0.000 2.442 10 V HA 0.065 4.185 4.120 0.001 0.000 0.272 10 V C 1.226 177.313 176.094 -0.012 0.000 0.989 10 V CA 1.275 63.567 62.300 -0.012 0.000 1.123 10 V CB -0.185 31.631 31.823 -0.011 0.000 1.008 10 V HN 0.744 nan 8.190 nan 0.000 0.469 11 I N 4.040 124.602 120.570 -0.013 0.000 2.947 11 I HA 0.171 4.342 4.170 0.001 0.000 0.263 11 I C 0.720 176.830 176.117 -0.013 0.000 1.130 11 I CA 0.518 61.811 61.300 -0.012 0.000 1.448 11 I CB 0.243 38.235 38.000 -0.013 0.000 1.222 11 I HN 0.366 nan 8.210 nan 0.000 0.453 12 L N 1.268 122.481 121.223 -0.017 0.000 2.334 12 L HA 0.432 4.772 4.340 0.001 0.000 0.272 12 L C -2.230 174.629 176.870 -0.018 0.000 1.020 12 L CA -1.925 52.904 54.840 -0.018 0.000 0.812 12 L CB 0.633 42.678 42.059 -0.024 0.000 1.264 12 L HN -0.157 nan 8.230 nan 0.000 0.439 13 P HA 0.031 nan 4.420 nan 0.000 0.269 13 P C -0.917 176.373 177.300 -0.017 0.000 1.215 13 P CA -0.410 62.682 63.100 -0.014 0.000 0.780 13 P CB 0.388 32.081 31.700 -0.011 0.000 0.898 14 E N 1.340 121.531 120.200 -0.015 0.000 2.384 14 E HA 0.320 4.671 4.350 0.001 0.000 0.266 14 E C 1.069 177.660 176.600 -0.015 0.000 1.012 14 E CA 0.416 56.806 56.400 -0.016 0.000 0.901 14 E CB -0.385 29.307 29.700 -0.013 0.000 0.967 14 E HN 0.713 nan 8.360 nan 0.000 0.435 15 G N 2.833 111.622 108.800 -0.018 0.000 2.213 15 G HA2 -0.253 3.708 3.960 0.001 0.000 0.236 15 G HA3 -0.253 3.708 3.960 0.001 0.000 0.236 15 G C 0.308 175.197 174.900 -0.018 0.000 0.991 15 G CA 0.102 45.194 45.100 -0.014 0.000 0.629 15 G HN 0.760 nan 8.290 nan 0.000 0.517 16 T N 2.247 116.786 114.554 -0.025 0.000 2.834 16 T HA 0.480 4.831 4.350 0.001 0.000 0.298 16 T C 0.423 175.091 174.700 -0.054 0.000 0.966 16 T CA 0.411 62.493 62.100 -0.029 0.000 1.141 16 T CB 1.066 69.916 68.868 -0.030 0.000 0.905 16 T HN 0.495 nan 8.240 nan 0.000 0.535 17 Q N 2.204 121.975 119.800 -0.048 0.000 2.222 17 Q HA 0.684 5.024 4.340 0.001 0.000 0.252 17 Q C -0.028 175.868 176.000 -0.175 0.000 0.926 17 Q CA -0.777 54.958 55.803 -0.114 0.000 0.899 17 Q CB 1.753 30.502 28.738 0.017 0.000 1.250 17 Q HN 0.446 nan 8.270 nan 0.000 0.441 18 R N 1.535 121.760 120.500 -0.458 0.000 2.561 18 R HA 0.405 4.745 4.340 0.001 0.000 0.266 18 R C -1.983 173.916 176.300 -0.668 0.000 1.091 18 R CA -0.468 55.416 56.100 -0.359 0.000 0.927 18 R CB 1.239 31.434 30.300 -0.176 0.000 1.240 18 R HN 0.672 nan 8.270 nan 0.000 0.449 19 Y N 2.571 122.871 120.300 -0.001 0.000 2.442 19 Y HA 0.521 5.071 4.550 0.001 0.000 0.344 19 Y C -0.159 175.742 175.900 0.002 0.000 0.976 19 Y CA -0.871 57.232 58.100 0.005 0.000 1.040 19 Y CB 2.285 40.755 38.460 0.015 0.000 1.228 19 Y HN 0.360 nan 8.280 nan 0.000 0.451 20 V N -0.560 119.427 119.914 0.121 0.000 3.001 20 V HA 1.043 5.163 4.120 0.001 0.000 0.314 20 V C 0.458 176.586 176.094 0.055 0.000 1.099 20 V CA -0.289 62.052 62.300 0.069 0.000 0.989 20 V CB 1.207 33.047 31.823 0.028 0.000 1.040 20 V HN 1.304 nan 8.190 nan 0.000 0.434 21 G N 2.549 111.366 108.800 0.029 0.000 2.611 21 G HA2 -0.292 3.668 3.960 0.001 0.000 0.301 21 G HA3 -0.292 3.668 3.960 0.001 0.000 0.301 21 G C 0.891 175.798 174.900 0.011 0.000 1.233 21 G CA 0.894 45.999 45.100 0.008 0.000 0.993 21 G HN 1.020 nan 8.290 nan 0.000 0.553 22 R N 0.846 121.349 120.500 0.005 0.000 2.117 22 R HA -0.060 4.281 4.340 0.001 0.000 0.243 22 R C 2.334 178.646 176.300 0.021 0.000 1.143 22 R CA 2.129 58.231 56.100 0.004 0.000 0.968 22 R CB -1.344 28.956 30.300 0.000 0.000 0.863 22 R HN 0.687 nan 8.270 nan 0.000 0.444 23 D N 0.143 120.573 120.400 0.051 0.000 2.092 23 D HA -0.128 4.513 4.640 0.001 0.000 0.193 23 D C 1.828 178.171 176.300 0.071 0.000 0.994 23 D CA 1.980 56.033 54.000 0.089 0.000 0.828 23 D CB -0.216 40.689 40.800 0.175 0.000 0.963 23 D HN 0.241 nan 8.370 nan 0.000 0.450 24 A N 0.410 123.288 122.820 0.097 0.000 1.883 24 A HA -0.287 4.034 4.320 0.001 0.000 0.217 24 A C 2.079 179.675 177.584 0.020 0.000 1.186 24 A CA 1.805 53.886 52.037 0.073 0.000 0.624 24 A CB -0.721 18.331 19.000 0.087 0.000 0.822 24 A HN 0.261 nan 8.150 nan 0.000 0.444 25 Q N -1.032 118.774 119.800 0.011 0.000 2.020 25 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 25 Q C 2.396 178.383 176.000 -0.021 0.000 0.982 25 Q CA 1.624 57.423 55.803 -0.007 0.000 0.838 25 Q CB -0.307 28.420 28.738 -0.017 0.000 0.899 25 Q HN 0.734 nan 8.270 nan 0.000 0.423 26 R N 1.031 121.517 120.500 -0.023 0.000 2.096 26 R HA -0.182 4.158 4.340 0.001 0.000 0.240 26 R C 2.117 178.376 176.300 -0.067 0.000 1.139 26 R CA 1.436 57.514 56.100 -0.037 0.000 0.952 26 R CB -0.279 30.006 30.300 -0.024 0.000 0.854 26 R HN 0.238 nan 8.270 nan 0.000 0.436 27 L N 0.156 121.329 121.223 -0.083 0.000 2.072 27 L HA -0.099 4.242 4.340 0.001 0.000 0.205 27 L C 2.130 178.900 176.870 -0.167 0.000 1.079 27 L CA 1.719 56.475 54.840 -0.140 0.000 0.752 27 L CB -0.745 41.202 42.059 -0.186 0.000 0.906 27 L HN 0.362 nan 8.230 nan 0.000 0.436 28 N N 0.443 119.110 118.700 -0.056 0.000 2.120 28 N HA -0.162 4.579 4.740 0.001 0.000 0.188 28 N C 1.968 177.429 175.510 -0.081 0.000 1.024 28 N CA 1.073 54.117 53.050 -0.011 0.000 0.852 28 N CB -0.056 38.459 38.487 0.047 0.000 1.003 28 N HN 0.246 nan 8.380 nan 0.000 0.424 29 I N 0.934 121.464 120.570 -0.065 0.000 2.252 29 I HA -0.213 3.957 4.170 0.001 0.000 0.245 29 I C 2.310 178.373 176.117 -0.090 0.000 1.102 29 I CA 0.677 61.942 61.300 -0.058 0.000 1.385 29 I CB -0.158 37.820 38.000 -0.037 0.000 1.064 29 I HN 0.255 nan 8.210 nan 0.000 0.414 30 L N 0.801 121.954 121.223 -0.116 0.000 2.046 30 L HA -0.219 4.122 4.340 0.001 0.000 0.208 30 L C 2.712 179.479 176.870 -0.172 0.000 1.077 30 L CA 2.100 56.864 54.840 -0.126 0.000 0.747 30 L CB -0.594 41.391 42.059 -0.124 0.000 0.896 30 L HN 0.258 nan 8.230 nan 0.000 0.432 31 A N -0.480 122.168 122.820 -0.287 0.000 1.930 31 A HA -0.100 4.220 4.320 0.001 0.000 0.217 31 A C 2.419 179.890 177.584 -0.188 0.000 1.175 31 A CA 1.507 53.332 52.037 -0.352 0.000 0.627 31 A CB -0.592 17.898 19.000 -0.851 0.000 0.815 31 A HN 0.519 nan 8.150 nan 0.000 0.443 32 A N -0.359 122.379 122.820 -0.137 0.000 1.930 32 A HA -0.100 4.221 4.320 0.001 0.000 0.217 32 A C 2.241 179.786 177.584 -0.064 0.000 1.175 32 A CA 1.352 53.347 52.037 -0.070 0.000 0.627 32 A CB -0.403 18.573 19.000 -0.041 0.000 0.815 32 A HN 0.525 nan 8.150 nan 0.000 0.443 33 R N -0.579 119.878 120.500 -0.072 0.000 2.066 33 R HA -0.028 4.312 4.340 0.001 0.000 0.232 33 R C 1.982 178.247 176.300 -0.059 0.000 1.131 33 R CA 1.619 57.683 56.100 -0.060 0.000 0.955 33 R CB -0.470 29.796 30.300 -0.057 0.000 0.851 33 R HN 0.557 nan 8.270 nan 0.000 0.432 34 I N 0.627 121.154 120.570 -0.071 0.000 2.264 34 I HA -0.292 3.878 4.170 0.001 0.000 0.248 34 I C 2.242 178.328 176.117 -0.051 0.000 1.111 34 I CA 0.907 62.170 61.300 -0.062 0.000 1.382 34 I CB -0.192 37.764 38.000 -0.073 0.000 1.060 34 I HN 0.175 nan 8.210 nan 0.000 0.418 35 I N 0.959 121.498 120.570 -0.053 0.000 2.179 35 I HA -0.270 3.901 4.170 0.001 0.000 0.242 35 I C 2.812 178.908 176.117 -0.035 0.000 1.088 35 I CA 1.795 63.073 61.300 -0.038 0.000 1.357 35 I CB -1.220 36.761 38.000 -0.032 0.000 1.051 35 I HN 0.183 nan 8.210 nan 0.000 0.409 36 A N 0.233 123.030 122.820 -0.039 0.000 1.902 36 A HA -0.229 4.091 4.320 0.001 0.000 0.217 36 A C 2.222 179.783 177.584 -0.038 0.000 1.181 36 A CA 1.711 53.725 52.037 -0.039 0.000 0.623 36 A CB -0.629 18.345 19.000 -0.044 0.000 0.818 36 A HN 0.483 nan 8.150 nan 0.000 0.443 37 E N -0.923 119.253 120.200 -0.039 0.000 2.077 37 E HA -0.131 4.220 4.350 0.001 0.000 0.193 37 E C 2.070 178.650 176.600 -0.033 0.000 0.989 37 E CA 1.575 57.952 56.400 -0.037 0.000 0.800 37 E CB -0.345 29.333 29.700 -0.037 0.000 0.746 37 E HN 0.577 nan 8.360 nan 0.000 0.452 38 T N 0.580 115.115 114.554 -0.032 0.000 2.737 38 T HA -0.167 4.184 4.350 0.001 0.000 0.269 38 T C 1.965 176.650 174.700 -0.026 0.000 1.040 38 T CA 1.631 63.714 62.100 -0.027 0.000 1.142 38 T CB -0.137 68.716 68.868 -0.025 0.000 0.861 38 T HN 0.219 nan 8.240 nan 0.000 0.456 39 V N 0.812 120.710 119.914 -0.027 0.000 3.660 39 V HA 0.217 4.337 4.120 0.001 0.000 0.276 39 V C 2.105 178.182 176.094 -0.029 0.000 1.317 39 V CA 0.274 62.559 62.300 -0.026 0.000 1.097 39 V CB -0.582 31.227 31.823 -0.024 0.000 0.863 39 V HN 0.454 nan 8.190 nan 0.000 0.438 40 R N 0.805 121.285 120.500 -0.033 0.000 2.200 40 R HA -0.079 4.262 4.340 0.001 0.000 0.234 40 R C 1.635 177.913 176.300 -0.037 0.000 1.127 40 R CA 1.819 57.897 56.100 -0.037 0.000 0.989 40 R CB -1.559 28.717 30.300 -0.040 0.000 0.869 40 R HN 0.469 nan 8.270 nan 0.000 0.459 41 T N 0.678 115.212 114.554 -0.033 0.000 3.113 41 T HA -0.059 4.291 4.350 0.001 0.000 0.263 41 T C 1.534 176.215 174.700 -0.031 0.000 1.143 41 T CA 1.441 63.522 62.100 -0.033 0.000 1.090 41 T CB 0.019 68.870 68.868 -0.028 0.000 0.922 41 T HN 0.615 nan 8.240 nan 0.000 0.521 42 T N -0.525 114.011 114.554 -0.029 0.000 3.081 42 T HA 0.277 4.628 4.350 0.001 0.000 0.250 42 T C 0.573 175.255 174.700 -0.030 0.000 1.100 42 T CA -0.433 61.651 62.100 -0.026 0.000 1.038 42 T CB -0.314 68.541 68.868 -0.022 0.000 0.962 42 T HN 0.193 nan 8.240 nan 0.000 0.516 43 L N 2.526 123.727 121.223 -0.036 0.000 2.416 43 L HA 0.563 4.903 4.340 0.001 0.000 0.272 43 L C 0.723 177.561 176.870 -0.052 0.000 1.161 43 L CA 1.503 56.319 54.840 -0.041 0.000 0.845 43 L CB -0.329 41.704 42.059 -0.044 0.000 1.119 43 L HN 0.655 nan 8.230 nan 0.000 0.464 44 G N 3.958 112.728 108.800 -0.050 0.000 2.760 44 G HA2 -0.197 3.763 3.960 0.001 0.000 0.246 44 G HA3 -0.197 3.763 3.960 0.001 0.000 0.246 44 G C -2.041 172.814 174.900 -0.073 0.000 1.359 44 G CA -0.373 44.685 45.100 -0.069 0.000 0.861 44 G HN 0.536 nan 8.290 nan 0.000 0.541 45 P HA 0.025 nan 4.420 nan 0.000 0.219 45 P C 1.274 178.495 177.300 -0.132 0.000 1.146 45 P CA 1.441 64.463 63.100 -0.129 0.000 0.808 45 P CB 0.114 31.582 31.700 -0.388 0.000 0.779 46 K N -0.579 119.713 120.400 -0.180 0.000 2.498 46 K HA 0.265 4.585 4.320 0.001 0.000 0.207 46 K C 0.934 177.497 176.600 -0.061 0.000 1.033 46 K CA -0.108 56.111 56.287 -0.113 0.000 1.138 46 K CB 0.041 32.452 32.500 -0.149 0.000 0.860 46 K HN 0.044 nan 8.250 nan 0.000 0.490 47 G N 1.325 110.095 108.800 -0.050 0.000 2.484 47 G HA2 0.144 4.105 3.960 0.001 0.000 0.235 47 G HA3 0.144 4.105 3.960 0.001 0.000 0.235 47 G C 0.137 175.025 174.900 -0.019 0.000 1.282 47 G CA -0.156 44.924 45.100 -0.034 0.000 0.857 47 G HN -0.021 nan 8.290 nan 0.000 0.571 48 M N 0.821 120.409 119.600 -0.020 0.000 2.705 48 M HA 0.407 4.888 4.480 0.001 0.000 0.311 48 M C -0.617 175.675 176.300 -0.013 0.000 1.214 48 M CA -0.752 54.539 55.300 -0.014 0.000 0.920 48 M CB 1.952 34.542 32.600 -0.017 0.000 1.687 48 M HN 0.388 nan 8.290 nan 0.000 0.481 49 D N 0.747 121.140 120.400 -0.012 0.000 2.384 49 D HA 0.548 5.188 4.640 0.001 0.000 0.250 49 D C -0.598 175.692 176.300 -0.016 0.000 1.029 49 D CA -0.403 53.589 54.000 -0.013 0.000 0.990 49 D CB 1.423 42.217 40.800 -0.010 0.000 1.175 49 D HN 0.266 nan 8.370 nan 0.000 0.532 50 K N 0.325 120.715 120.400 -0.017 0.000 2.318 50 K HA 0.507 4.827 4.320 0.001 0.000 0.249 50 K C -0.649 175.937 176.600 -0.023 0.000 0.942 50 K CA -0.749 55.527 56.287 -0.019 0.000 0.808 50 K CB 2.693 35.184 32.500 -0.016 0.000 1.189 50 K HN 0.277 nan 8.250 nan 0.000 0.428 51 M N 4.516 124.099 119.600 -0.028 0.000 2.114 51 M HA 0.342 4.822 4.480 0.001 0.000 0.332 51 M C -1.632 174.652 176.300 -0.026 0.000 1.014 51 M CA -0.663 54.614 55.300 -0.039 0.000 0.956 51 M CB 0.505 33.072 32.600 -0.054 0.000 1.551 51 M HN 0.459 nan 8.290 nan 0.000 0.427 52 L N 5.772 126.984 121.223 -0.018 0.000 2.307 52 L HA 0.687 5.027 4.340 0.001 0.000 0.284 52 L C -1.004 175.864 176.870 -0.003 0.000 1.023 52 L CA -1.028 53.808 54.840 -0.008 0.000 0.810 52 L CB 1.755 43.813 42.059 -0.001 0.000 1.231 52 L HN 0.394 nan 8.230 nan 0.000 0.423 53 V N 1.490 121.402 119.914 -0.002 0.000 2.443 53 V HA 0.219 4.340 4.120 0.001 0.000 0.293 53 V C -0.426 175.672 176.094 0.006 0.000 1.021 53 V CA -0.893 61.408 62.300 0.003 0.000 0.848 53 V CB 1.582 33.403 31.823 -0.003 0.000 0.998 53 V HN 0.828 nan 8.190 nan 0.000 0.424 54 D N 3.203 123.609 120.400 0.010 0.000 2.414 54 D HA 0.170 4.811 4.640 0.001 0.000 0.259 54 D C 1.267 177.572 176.300 0.008 0.000 1.269 54 D CA -0.303 53.702 54.000 0.009 0.000 1.028 54 D CB 0.535 41.341 40.800 0.011 0.000 1.093 54 D HN 0.232 nan 8.370 nan 0.000 0.545 55 S N -1.331 114.373 115.700 0.007 0.000 2.419 55 S HA -0.059 4.411 4.470 0.001 0.000 0.233 55 S C 1.688 176.293 174.600 0.007 0.000 1.016 55 S CA 0.588 58.792 58.200 0.007 0.000 0.974 55 S CB -0.461 62.742 63.200 0.006 0.000 0.786 55 S HN 0.409 nan 8.310 nan 0.000 0.492 56 L N 0.746 121.975 121.223 0.009 0.000 2.612 56 L HA 0.250 4.590 4.340 0.001 0.000 0.230 56 L C 1.631 178.509 176.870 0.013 0.000 1.140 56 L CA 0.264 55.110 54.840 0.010 0.000 0.896 56 L CB -0.768 41.297 42.059 0.010 0.000 1.065 56 L HN 0.451 nan 8.230 nan 0.000 0.447 57 G N 0.246 109.054 108.800 0.013 0.000 2.155 57 G HA2 -0.297 3.663 3.960 0.001 0.000 0.257 57 G HA3 -0.297 3.663 3.960 0.001 0.000 0.257 57 G C 0.103 175.019 174.900 0.026 0.000 0.983 57 G CA 0.291 45.401 45.100 0.016 0.000 0.676 57 G HN 0.495 nan 8.290 nan 0.000 0.528 58 D N 0.212 120.629 120.400 0.028 0.000 2.351 58 D HA 0.415 5.055 4.640 0.001 0.000 0.251 58 D C 0.196 176.529 176.300 0.055 0.000 1.137 58 D CA -0.159 53.867 54.000 0.043 0.000 0.879 58 D CB 0.516 41.335 40.800 0.032 0.000 1.181 58 D HN 0.120 nan 8.370 nan 0.000 0.448 59 I N 3.156 123.787 120.570 0.101 0.000 2.412 59 I HA 0.238 4.408 4.170 0.001 0.000 0.296 59 I C -0.120 176.087 176.117 0.149 0.000 0.987 59 I CA -0.775 60.583 61.300 0.096 0.000 1.180 59 I CB 2.003 40.027 38.000 0.039 0.000 1.340 59 I HN 0.089 nan 8.210 nan 0.000 0.455 60 V N 6.543 126.495 119.914 0.064 0.000 2.525 60 V HA 0.459 4.579 4.120 0.001 0.000 0.299 60 V C -0.586 175.521 176.094 0.021 0.000 1.034 60 V CA -0.681 61.664 62.300 0.074 0.000 0.863 60 V CB 2.096 33.946 31.823 0.044 0.000 0.999 60 V HN 0.406 nan 8.190 nan 0.000 0.423 61 V N 4.396 124.328 119.914 0.030 0.000 2.378 61 V HA 0.768 4.889 4.120 0.001 0.000 0.288 61 V C 0.047 176.148 176.094 0.011 0.000 1.016 61 V CA 0.029 62.322 62.300 -0.013 0.000 0.840 61 V CB 1.678 33.466 31.823 -0.058 0.000 0.994 61 V HN 0.977 nan 8.190 nan 0.000 0.431 62 T N 2.764 117.318 114.554 -0.000 0.000 2.792 62 T HA 0.296 4.647 4.350 0.001 0.000 0.303 62 T C 0.244 174.940 174.700 -0.006 0.000 1.310 62 T CA -0.382 61.718 62.100 -0.001 0.000 1.007 62 T CB 2.016 70.884 68.868 0.000 0.000 1.335 62 T HN 0.626 nan 8.240 nan 0.000 0.504 63 N N 0.685 119.381 118.700 -0.008 0.000 2.227 63 N HA 0.046 4.787 4.740 0.001 0.000 0.196 63 N C -0.404 175.099 175.510 -0.012 0.000 1.142 63 N CA -0.025 53.020 53.050 -0.010 0.000 0.887 63 N CB 0.390 38.873 38.487 -0.007 0.000 1.022 63 N HN 0.578 nan 8.380 nan 0.000 0.500 64 D N 1.152 121.545 120.400 -0.012 0.000 2.358 64 D HA -0.006 4.635 4.640 0.001 0.000 0.258 64 D C 1.387 177.680 176.300 -0.012 0.000 1.223 64 D CA -0.110 53.882 54.000 -0.013 0.000 0.886 64 D CB 0.854 41.645 40.800 -0.015 0.000 1.120 64 D HN 0.131 nan 8.370 nan 0.000 0.482 65 C N 4.252 123.544 119.300 -0.013 0.000 2.413 65 C HA -0.141 4.320 4.460 0.001 0.000 0.277 65 C C 2.587 177.571 174.990 -0.010 0.000 1.228 65 C CA 1.486 60.497 59.018 -0.013 0.000 1.731 65 C CB -1.200 26.531 27.740 -0.015 0.000 2.042 65 C HN 0.788 nan 8.230 nan 0.000 0.468 66 A N -0.294 122.521 122.820 -0.008 0.000 1.892 66 A HA -0.192 4.128 4.320 0.001 0.000 0.218 66 A C 2.292 179.873 177.584 -0.004 0.000 1.188 66 A CA 2.863 54.897 52.037 -0.005 0.000 0.631 66 A CB -1.432 17.565 19.000 -0.004 0.000 0.822 66 A HN 0.669 nan 8.150 nan 0.000 0.447 67 T N 0.288 114.839 114.554 -0.005 0.000 2.708 67 T HA -0.113 4.238 4.350 0.001 0.000 0.266 67 T C 1.816 176.515 174.700 -0.002 0.000 1.037 67 T CA 1.535 63.633 62.100 -0.004 0.000 1.146 67 T CB -0.452 68.412 68.868 -0.005 0.000 0.865 67 T HN 0.426 nan 8.240 nan 0.000 0.435 68 I N 0.893 121.460 120.570 -0.004 0.000 2.127 68 I HA -0.171 3.999 4.170 0.001 0.000 0.241 68 I C 2.271 178.386 176.117 -0.003 0.000 1.075 68 I CA 1.395 62.692 61.300 -0.004 0.000 1.334 68 I CB -0.416 37.579 38.000 -0.008 0.000 1.040 68 I HN 0.200 nan 8.210 nan 0.000 0.405 69 L N -0.047 121.174 121.223 -0.003 0.000 2.201 69 L HA -0.199 4.142 4.340 0.001 0.000 0.212 69 L C 2.070 178.941 176.870 0.002 0.000 1.105 69 L CA 1.292 56.131 54.840 -0.001 0.000 0.775 69 L CB -0.674 41.384 42.059 -0.002 0.000 0.913 69 L HN 0.317 nan 8.230 nan 0.000 0.440 70 D N 0.031 120.432 120.400 0.002 0.000 2.162 70 D HA -0.144 4.496 4.640 0.001 0.000 0.203 70 D C 2.140 178.443 176.300 0.004 0.000 0.967 70 D CA 0.935 54.937 54.000 0.003 0.000 0.840 70 D CB 0.302 41.104 40.800 0.003 0.000 0.972 70 D HN -0.103 nan 8.370 nan 0.000 0.482 71 K N -0.044 120.359 120.400 0.004 0.000 2.305 71 K HA 0.068 4.388 4.320 0.001 0.000 0.199 71 K C 0.371 176.974 176.600 0.005 0.000 1.047 71 K CA 0.060 56.350 56.287 0.005 0.000 0.976 71 K CB 0.375 32.879 32.500 0.006 0.000 0.765 71 K HN 0.274 nan 8.250 nan 0.000 0.474 72 I N 1.946 122.519 120.570 0.004 0.000 2.474 72 I HA -0.012 4.159 4.170 0.001 0.000 0.287 72 I C 0.164 176.284 176.117 0.006 0.000 1.048 72 I CA -0.733 60.569 61.300 0.003 0.000 1.383 72 I CB 0.924 38.925 38.000 0.001 0.000 1.412 72 I HN -0.051 nan 8.210 nan 0.000 0.531 73 D N 6.939 127.343 120.400 0.006 0.000 2.453 73 D HA 0.260 4.901 4.640 0.001 0.000 0.223 73 D C -0.325 175.982 176.300 0.011 0.000 1.183 73 D CA -0.128 53.877 54.000 0.008 0.000 0.933 73 D CB 0.017 40.822 40.800 0.007 0.000 1.038 73 D HN 0.270 nan 8.370 nan 0.000 0.513 74 L N 3.383 124.614 121.223 0.014 0.000 2.349 74 L HA 0.192 4.533 4.340 0.001 0.000 0.275 74 L C 1.525 178.410 176.870 0.025 0.000 1.115 74 L CA -0.633 54.220 54.840 0.021 0.000 0.820 74 L CB 1.435 43.508 42.059 0.024 0.000 1.135 74 L HN 0.356 nan 8.230 nan 0.000 0.445 75 Q N 0.803 120.625 119.800 0.037 0.000 2.252 75 Q HA 0.009 4.350 4.340 0.001 0.000 0.195 75 Q C 0.416 176.438 176.000 0.036 0.000 0.974 75 Q CA 0.609 56.431 55.803 0.032 0.000 0.846 75 Q CB -0.135 28.623 28.738 0.035 0.000 0.943 75 Q HN 0.584 nan 8.270 nan 0.000 0.516 76 H N 3.076 122.136 119.070 -0.016 0.000 3.034 76 H HA -0.030 4.526 4.556 0.001 0.000 0.324 76 H C -1.605 173.711 175.328 -0.020 0.000 1.015 76 H CA -0.833 55.200 56.048 -0.026 0.000 1.429 76 H CB 1.125 30.861 29.762 -0.042 0.000 1.429 76 H HN -0.061 nan 8.280 nan 0.000 0.585 77 P HA -0.190 nan 4.420 nan 0.000 0.216 77 P C 0.883 178.245 177.300 0.102 0.000 1.150 77 P CA 2.013 65.073 63.100 -0.065 0.000 0.837 77 P CB 0.125 31.727 31.700 -0.164 0.000 0.786 78 A N -0.129 122.904 122.820 0.355 0.000 1.930 78 A HA -0.047 4.273 4.320 0.001 0.000 0.217 78 A C 2.303 179.969 177.584 0.138 0.000 1.175 78 A CA 1.847 54.025 52.037 0.235 0.000 0.627 78 A CB -1.537 17.587 19.000 0.207 0.000 0.815 78 A HN 0.187 nan 8.150 nan 0.000 0.443 79 A N 0.087 123.011 122.820 0.173 0.000 1.902 79 A HA -0.156 4.164 4.320 0.001 0.000 0.217 79 A C 2.098 179.713 177.584 0.052 0.000 1.181 79 A CA 1.739 53.816 52.037 0.066 0.000 0.623 79 A CB -0.416 18.623 19.000 0.066 0.000 0.818 79 A HN 0.530 nan 8.150 nan 0.000 0.443 80 K N -0.810 119.628 120.400 0.063 0.000 2.097 80 K HA -0.046 4.274 4.320 0.001 0.000 0.206 80 K C 1.941 178.558 176.600 0.029 0.000 1.049 80 K CA 1.546 57.854 56.287 0.036 0.000 0.933 80 K CB -0.292 32.224 32.500 0.027 0.000 0.717 80 K HN 0.513 nan 8.250 nan 0.000 0.442 81 M N -0.195 119.427 119.600 0.036 0.000 2.374 81 M HA -0.117 4.363 4.480 0.001 0.000 0.264 81 M C 2.084 178.397 176.300 0.022 0.000 1.067 81 M CA 1.110 56.427 55.300 0.029 0.000 1.103 81 M CB -0.119 32.502 32.600 0.035 0.000 1.402 81 M HN 0.095 nan 8.290 nan 0.000 0.444 82 M N -0.368 119.244 119.600 0.019 0.000 2.419 82 M HA -0.047 4.433 4.480 0.001 0.000 0.264 82 M C 1.706 178.009 176.300 0.005 0.000 1.082 82 M CA 1.049 56.353 55.300 0.008 0.000 1.119 82 M CB -0.059 32.541 32.600 0.000 0.000 1.398 82 M HN -0.016 nan 8.290 nan 0.000 0.453 83 V N -0.011 119.909 119.914 0.009 0.000 2.407 83 V HA -0.255 3.865 4.120 0.001 0.000 0.248 83 V C 1.960 178.058 176.094 0.007 0.000 1.055 83 V CA 1.810 64.114 62.300 0.006 0.000 1.049 83 V CB -0.777 31.052 31.823 0.009 0.000 0.662 83 V HN 0.491 nan 8.190 nan 0.000 0.455 84 E N -0.175 120.031 120.200 0.010 0.000 2.204 84 E HA -0.144 4.207 4.350 0.001 0.000 0.194 84 E C 2.233 178.839 176.600 0.009 0.000 0.989 84 E CA 1.152 57.558 56.400 0.010 0.000 0.824 84 E CB -0.118 29.591 29.700 0.014 0.000 0.756 84 E HN 0.480 nan 8.360 nan 0.000 0.477 85 V N 1.413 121.332 119.914 0.007 0.000 2.307 85 V HA -0.262 3.859 4.120 0.001 0.000 0.245 85 V C 2.346 178.440 176.094 0.001 0.000 1.045 85 V CA 1.895 64.198 62.300 0.004 0.000 1.024 85 V CB -0.656 31.167 31.823 -0.000 0.000 0.651 85 V HN 0.306 nan 8.190 nan 0.000 0.449 86 A N -0.289 122.530 122.820 -0.001 0.000 1.877 86 A HA -0.175 4.145 4.320 0.001 0.000 0.216 86 A C 2.267 179.851 177.584 0.000 0.000 1.186 86 A CA 1.551 53.587 52.037 -0.003 0.000 0.620 86 A CB -0.427 18.570 19.000 -0.005 0.000 0.822 86 A HN 0.389 nan 8.150 nan 0.000 0.443 87 K N -0.234 120.168 120.400 0.003 0.000 2.063 87 K HA -0.093 4.227 4.320 0.001 0.000 0.208 87 K C 2.045 178.649 176.600 0.006 0.000 1.048 87 K CA 1.905 58.195 56.287 0.005 0.000 0.928 87 K CB -1.270 31.233 32.500 0.006 0.000 0.713 87 K HN 0.520 nan 8.250 nan 0.000 0.442 88 T N 1.316 115.875 114.554 0.007 0.000 2.812 88 T HA -0.148 4.202 4.350 0.001 0.000 0.264 88 T C 1.941 176.646 174.700 0.008 0.000 1.042 88 T CA 1.456 63.562 62.100 0.009 0.000 1.140 88 T CB -0.125 68.750 68.868 0.011 0.000 0.870 88 T HN 0.201 nan 8.240 nan 0.000 0.445 89 Q N 1.548 121.351 119.800 0.006 0.000 2.096 89 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 89 Q C 1.828 177.831 176.000 0.005 0.000 0.982 89 Q CA 2.103 57.908 55.803 0.004 0.000 0.850 89 Q CB -0.614 28.124 28.738 -0.000 0.000 0.901 89 Q HN 0.559 nan 8.270 nan 0.000 0.422 90 D N -0.605 119.797 120.400 0.004 0.000 2.084 90 D HA -0.167 4.473 4.640 0.001 0.000 0.194 90 D C 1.499 177.804 176.300 0.009 0.000 0.990 90 D CA 1.633 55.635 54.000 0.005 0.000 0.826 90 D CB 0.059 40.861 40.800 0.003 0.000 0.971 90 D HN 0.285 nan 8.370 nan 0.000 0.453 91 K N -0.112 120.294 120.400 0.010 0.000 2.097 91 K HA -0.123 4.197 4.320 0.001 0.000 0.206 91 K C 2.168 178.776 176.600 0.014 0.000 1.049 91 K CA 1.094 57.389 56.287 0.013 0.000 0.933 91 K CB 0.001 32.508 32.500 0.012 0.000 0.717 91 K HN 0.211 nan 8.250 nan 0.000 0.442 92 E N -0.104 120.104 120.200 0.013 0.000 2.051 92 E HA -0.062 4.289 4.350 0.001 0.000 0.189 92 E C 1.542 178.151 176.600 0.014 0.000 0.979 92 E CA 1.301 57.709 56.400 0.014 0.000 0.803 92 E CB 0.180 29.887 29.700 0.013 0.000 0.761 92 E HN 0.313 nan 8.360 nan 0.000 0.451 93 A N -1.131 121.696 122.820 0.012 0.000 2.498 93 A HA 0.516 4.837 4.320 0.001 0.000 0.238 93 A C 1.436 179.026 177.584 0.011 0.000 1.225 93 A CA 1.040 53.085 52.037 0.012 0.000 0.978 93 A CB 0.639 19.645 19.000 0.010 0.000 1.142 93 A HN 0.262 nan 8.150 nan 0.000 0.552 94 G N 0.242 109.048 108.800 0.010 0.000 5.353 94 G HA2 -0.285 3.676 3.960 0.001 0.000 0.283 94 G HA3 -0.285 3.676 3.960 0.001 0.000 0.283 94 G C 0.055 174.956 174.900 0.002 0.000 1.457 94 G CA 0.376 45.480 45.100 0.008 0.000 0.951 94 G HN 0.465 nan 8.290 nan 0.000 0.731 95 D N 1.792 122.193 120.400 0.003 0.000 2.377 95 D HA 0.477 5.118 4.640 0.001 0.000 0.245 95 D C 1.401 177.700 176.300 -0.003 0.000 1.196 95 D CA 1.574 55.573 54.000 -0.001 0.000 0.962 95 D CB 0.442 41.243 40.800 0.001 0.000 1.127 95 D HN 1.753 nan 8.370 nan 0.000 0.471 96 G N -0.431 108.365 108.800 -0.007 0.000 2.143 96 G HA2 -0.324 3.637 3.960 0.001 0.000 0.249 96 G HA3 -0.324 3.637 3.960 0.001 0.000 0.249 96 G C 1.106 175.998 174.900 -0.013 0.000 0.981 96 G CA 1.216 46.309 45.100 -0.011 0.000 0.665 96 G HN 0.597 nan 8.290 nan 0.000 0.528 97 T N -2.915 111.632 114.554 -0.012 0.000 2.821 97 T HA -0.071 4.280 4.350 0.001 0.000 0.267 97 T C 2.228 176.918 174.700 -0.017 0.000 1.046 97 T CA 2.539 64.632 62.100 -0.012 0.000 1.139 97 T CB -0.510 68.353 68.868 -0.010 0.000 0.871 97 T HN 0.306 nan 8.240 nan 0.000 0.454 98 T N 1.814 116.356 114.554 -0.020 0.000 2.812 98 T HA -0.052 4.299 4.350 0.001 0.000 0.264 98 T C 2.257 176.938 174.700 -0.032 0.000 1.042 98 T CA 1.703 63.787 62.100 -0.025 0.000 1.140 98 T CB -0.947 67.906 68.868 -0.027 0.000 0.870 98 T HN 0.482 nan 8.240 nan 0.000 0.445 99 T N 2.233 116.768 114.554 -0.032 0.000 2.665 99 T HA -0.134 4.217 4.350 0.001 0.000 0.268 99 T C 2.380 177.054 174.700 -0.044 0.000 1.035 99 T CA 1.387 63.464 62.100 -0.039 0.000 1.151 99 T CB -0.634 68.214 68.868 -0.033 0.000 0.862 99 T HN 0.443 nan 8.240 nan 0.000 0.438 100 A N 0.885 123.684 122.820 -0.035 0.000 1.883 100 A HA -0.081 4.240 4.320 0.001 0.000 0.217 100 A C 2.609 180.168 177.584 -0.041 0.000 1.186 100 A CA 1.715 53.731 52.037 -0.035 0.000 0.624 100 A CB -1.036 17.952 19.000 -0.020 0.000 0.822 100 A HN 0.376 nan 8.150 nan 0.000 0.444 101 V N -0.534 119.360 119.914 -0.034 0.000 2.358 101 V HA -0.201 3.919 4.120 0.001 0.000 0.246 101 V C 2.522 178.589 176.094 -0.045 0.000 1.047 101 V CA 1.835 64.115 62.300 -0.034 0.000 1.035 101 V CB -0.800 31.007 31.823 -0.026 0.000 0.658 101 V HN 0.353 nan 8.190 nan 0.000 0.452 102 V N -0.118 119.766 119.914 -0.050 0.000 2.358 102 V HA -0.223 3.897 4.120 0.001 0.000 0.246 102 V C 2.178 178.225 176.094 -0.079 0.000 1.047 102 V CA 2.080 64.345 62.300 -0.059 0.000 1.035 102 V CB -0.405 31.385 31.823 -0.056 0.000 0.658 102 V HN 0.443 nan 8.190 nan 0.000 0.452 103 I N 0.231 120.745 120.570 -0.093 0.000 2.252 103 I HA -0.194 3.977 4.170 0.001 0.000 0.245 103 I C 2.655 178.681 176.117 -0.152 0.000 1.102 103 I CA 1.269 62.485 61.300 -0.141 0.000 1.385 103 I CB -0.583 37.322 38.000 -0.159 0.000 1.064 103 I HN 0.276 nan 8.210 nan 0.000 0.414 104 A N 1.098 123.855 122.820 -0.105 0.000 1.865 104 A HA -0.183 4.138 4.320 0.001 0.000 0.217 104 A C 2.458 180.004 177.584 -0.063 0.000 1.191 104 A CA 2.136 54.126 52.037 -0.079 0.000 0.623 104 A CB -1.565 17.410 19.000 -0.041 0.000 0.826 104 A HN 0.451 nan 8.150 nan 0.000 0.444 105 G N -0.676 108.089 108.800 -0.057 0.000 2.446 105 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 105 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 105 G C 1.475 176.344 174.900 -0.052 0.000 1.168 105 G CA 1.425 46.496 45.100 -0.048 0.000 0.771 105 G HN 0.593 nan 8.290 nan 0.000 0.551 106 E N -0.295 119.861 120.200 -0.074 0.000 2.150 106 E HA -0.035 4.315 4.350 0.001 0.000 0.193 106 E C 2.320 178.871 176.600 -0.082 0.000 0.985 106 E CA 0.349 56.702 56.400 -0.078 0.000 0.814 106 E CB -0.309 29.330 29.700 -0.102 0.000 0.752 106 E HN 0.248 nan 8.360 nan 0.000 0.466 107 L N 0.116 121.264 121.223 -0.125 0.000 2.046 107 L HA -0.072 4.268 4.340 0.001 0.000 0.208 107 L C 2.089 179.020 176.870 0.103 0.000 1.077 107 L CA 1.491 56.254 54.840 -0.130 0.000 0.747 107 L CB -0.558 41.342 42.059 -0.266 0.000 0.896 107 L HN 0.280 nan 8.230 nan 0.000 0.432 108 L N -1.350 119.911 121.223 0.063 0.000 2.156 108 L HA -0.151 4.189 4.340 0.001 0.000 0.208 108 L C 2.688 179.585 176.870 0.046 0.000 1.095 108 L CA 0.831 55.717 54.840 0.076 0.000 0.770 108 L CB -0.483 41.594 42.059 0.031 0.000 0.914 108 L HN 0.255 nan 8.230 nan 0.000 0.439 109 R N 0.486 120.997 120.500 0.019 0.000 2.081 109 R HA -0.151 4.190 4.340 0.001 0.000 0.235 109 R C 2.130 178.445 176.300 0.026 0.000 1.131 109 R CA 1.191 57.295 56.100 0.006 0.000 0.960 109 R CB 0.093 30.386 30.300 -0.012 0.000 0.856 109 R HN 0.147 nan 8.270 nan 0.000 0.436 110 K N 0.278 120.710 120.400 0.053 0.000 2.217 110 K HA -0.007 4.314 4.320 0.001 0.000 0.202 110 K C 1.899 178.562 176.600 0.105 0.000 1.051 110 K CA 1.144 57.480 56.287 0.082 0.000 0.952 110 K CB -0.256 32.309 32.500 0.109 0.000 0.736 110 K HN 0.258 nan 8.250 nan 0.000 0.453 111 A N 1.279 124.174 122.820 0.125 0.000 1.930 111 A HA -0.181 4.140 4.320 0.001 0.000 0.217 111 A C 2.182 179.757 177.584 -0.015 0.000 1.175 111 A CA 1.649 53.699 52.037 0.022 0.000 0.627 111 A CB -0.359 18.637 19.000 -0.006 0.000 0.815 111 A HN 0.429 nan 8.150 nan 0.000 0.443 112 E N 0.062 120.263 120.200 0.001 0.000 2.110 112 E HA -0.213 4.138 4.350 0.001 0.000 0.193 112 E C 1.818 178.412 176.600 -0.010 0.000 0.988 112 E CA 1.302 57.694 56.400 -0.012 0.000 0.804 112 E CB -0.138 29.556 29.700 -0.011 0.000 0.745 112 E HN 0.738 nan 8.360 nan 0.000 0.458 113 E N 0.193 120.394 120.200 0.002 0.000 2.118 113 E HA -0.201 4.150 4.350 0.001 0.000 0.195 113 E C 2.157 178.756 176.600 -0.002 0.000 0.992 113 E CA 1.100 57.502 56.400 0.003 0.000 0.804 113 E CB -0.051 29.657 29.700 0.013 0.000 0.741 113 E HN 0.390 nan 8.360 nan 0.000 0.458 114 L N 0.381 121.600 121.223 -0.006 0.000 2.179 114 L HA -0.099 4.241 4.340 0.001 0.000 0.208 114 L C 2.411 179.266 176.870 -0.026 0.000 1.096 114 L CA 0.466 55.297 54.840 -0.014 0.000 0.779 114 L CB -0.305 41.738 42.059 -0.026 0.000 0.922 114 L HN 0.139 nan 8.230 nan 0.000 0.443 115 L N -0.100 121.101 121.223 -0.035 0.000 2.046 115 L HA -0.250 4.090 4.340 0.001 0.000 0.208 115 L C 2.371 179.223 176.870 -0.030 0.000 1.077 115 L CA 1.450 56.265 54.840 -0.043 0.000 0.747 115 L CB -0.546 41.485 42.059 -0.047 0.000 0.896 115 L HN 0.373 nan 8.230 nan 0.000 0.432 116 D N -0.267 120.120 120.400 -0.021 0.000 2.350 116 D HA -0.215 4.425 4.640 0.001 0.000 0.216 116 D C 1.871 178.164 176.300 -0.011 0.000 0.968 116 D CA 0.726 54.718 54.000 -0.015 0.000 0.894 116 D CB 0.260 41.053 40.800 -0.011 0.000 0.909 116 D HN 0.401 nan 8.370 nan 0.000 0.520 117 Q N 0.214 120.007 119.800 -0.010 0.000 2.320 117 Q HA 0.030 4.371 4.340 0.001 0.000 0.201 117 Q C -0.198 175.799 176.000 -0.005 0.000 0.910 117 Q CA 0.071 55.870 55.803 -0.005 0.000 0.946 117 Q CB -0.099 28.637 28.738 -0.003 0.000 1.062 117 Q HN 0.244 nan 8.270 nan 0.000 0.503 118 N N -0.394 118.299 118.700 -0.011 0.000 2.782 118 N HA -0.183 4.557 4.740 0.001 0.000 0.251 118 N C -0.987 174.523 175.510 -0.001 0.000 1.101 118 N CA 0.230 53.274 53.050 -0.010 0.000 0.764 118 N CB -1.025 37.460 38.487 -0.003 0.000 1.122 118 N HN 0.275 nan 8.380 nan 0.000 0.561 119 I N 1.550 122.118 120.570 -0.003 0.000 2.396 119 I HA 0.002 4.172 4.170 0.001 0.000 0.289 119 I C 1.219 177.350 176.117 0.024 0.000 1.056 119 I CA -0.302 61.007 61.300 0.015 0.000 1.365 119 I CB 0.325 38.325 38.000 0.000 0.000 1.407 119 I HN 0.210 nan 8.210 nan 0.000 0.509 120 H N 9.879 128.931 119.070 -0.030 0.000 3.034 120 H HA 0.014 4.571 4.556 0.001 0.000 0.324 120 H C -1.574 173.728 175.328 -0.044 0.000 1.015 120 H CA -1.143 54.887 56.048 -0.030 0.000 1.429 120 H CB 1.278 31.026 29.762 -0.023 0.000 1.429 120 H HN 0.403 nan 8.280 nan 0.000 0.585 121 P HA -0.202 nan 4.420 nan 0.000 0.216 121 P C 1.421 178.786 177.300 0.108 0.000 1.150 121 P CA 1.986 65.076 63.100 -0.015 0.000 0.843 121 P CB 0.109 31.743 31.700 -0.109 0.000 0.787 122 S N -1.071 114.833 115.700 0.340 0.000 2.423 122 S HA -0.102 4.368 4.470 0.001 0.000 0.231 122 S C 1.907 176.540 174.600 0.055 0.000 1.014 122 S CA 0.816 59.104 58.200 0.146 0.000 0.965 122 S CB -1.341 61.904 63.200 0.075 0.000 0.785 122 S HN -0.038 nan 8.310 nan 0.000 0.495 123 I N 2.204 122.814 120.570 0.066 0.000 2.233 123 I HA 0.001 4.172 4.170 0.001 0.000 0.243 123 I C 2.352 178.455 176.117 -0.023 0.000 1.093 123 I CA 0.809 62.113 61.300 0.008 0.000 1.380 123 I CB -0.593 37.416 38.000 0.015 0.000 1.067 123 I HN 0.261 nan 8.210 nan 0.000 0.413 124 I N -0.329 120.206 120.570 -0.057 0.000 2.163 124 I HA -0.337 3.834 4.170 0.001 0.000 0.243 124 I C 2.471 178.447 176.117 -0.236 0.000 1.085 124 I CA 1.668 62.852 61.300 -0.194 0.000 1.347 124 I CB -0.854 36.988 38.000 -0.264 0.000 1.044 124 I HN 0.198 nan 8.210 nan 0.000 0.408 125 T N 0.395 114.874 114.554 -0.124 0.000 2.759 125 T HA -0.229 4.121 4.350 0.001 0.000 0.269 125 T C 1.892 176.620 174.700 0.046 0.000 1.042 125 T CA 1.808 63.892 62.100 -0.027 0.000 1.140 125 T CB -0.153 68.724 68.868 0.016 0.000 0.864 125 T HN 0.176 nan 8.240 nan 0.000 0.455 126 K N 1.134 121.548 120.400 0.024 0.000 2.026 126 K HA 0.017 4.338 4.320 0.001 0.000 0.208 126 K C 2.319 178.951 176.600 0.053 0.000 1.048 126 K CA 1.900 58.207 56.287 0.033 0.000 0.929 126 K CB -1.081 31.424 32.500 0.008 0.000 0.713 126 K HN 0.274 nan 8.250 nan 0.000 0.439 127 G N -0.517 108.313 108.800 0.049 0.000 2.418 127 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 127 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 127 G C 1.547 176.566 174.900 0.199 0.000 1.158 127 G CA 1.006 46.158 45.100 0.087 0.000 0.771 127 G HN 0.443 nan 8.290 nan 0.000 0.545 128 Y N 0.950 121.277 120.300 0.046 0.000 2.181 128 Y HA -0.106 4.444 4.550 0.001 0.000 0.288 128 Y C 3.286 179.162 175.900 -0.040 0.000 1.146 128 Y CA 0.334 58.487 58.100 0.089 0.000 1.164 128 Y CB 0.022 38.628 38.460 0.243 0.000 0.982 128 Y HN 0.314 nan 8.280 nan 0.000 0.515 129 A N 0.436 123.358 122.820 0.170 0.000 1.877 129 A HA -0.198 4.123 4.320 0.001 0.000 0.216 129 A C 2.174 179.759 177.584 0.001 0.000 1.186 129 A CA 1.458 53.542 52.037 0.078 0.000 0.620 129 A CB -1.087 17.959 19.000 0.075 0.000 0.822 129 A HN 0.456 nan 8.150 nan 0.000 0.443 130 L N -0.804 120.434 121.223 0.024 0.000 2.012 130 L HA -0.249 4.091 4.340 0.001 0.000 0.210 130 L C 3.143 180.020 176.870 0.011 0.000 1.073 130 L CA 1.268 56.148 54.840 0.067 0.000 0.748 130 L CB -0.600 41.533 42.059 0.123 0.000 0.891 130 L HN 0.464 nan 8.230 nan 0.000 0.431 131 A N -0.152 122.562 122.820 -0.177 0.000 1.902 131 A HA -0.184 4.137 4.320 0.001 0.000 0.217 131 A C 2.506 179.677 177.584 -0.689 0.000 1.181 131 A CA 1.795 53.526 52.037 -0.511 0.000 0.623 131 A CB -0.738 17.609 19.000 -1.088 0.000 0.818 131 A HN 0.426 nan 8.150 nan 0.000 0.443 132 A N -0.261 122.170 122.820 -0.649 0.000 1.933 132 A HA -0.157 4.164 4.320 0.001 0.000 0.218 132 A C 1.917 179.428 177.584 -0.121 0.000 1.175 132 A CA 1.598 53.481 52.037 -0.256 0.000 0.628 132 A CB -0.462 18.533 19.000 -0.007 0.000 0.814 132 A HN 0.650 nan 8.150 nan 0.000 0.444 133 E N -0.799 119.332 120.200 -0.114 0.000 2.152 133 E HA -0.152 4.198 4.350 0.001 0.000 0.192 133 E C 1.961 178.481 176.600 -0.133 0.000 0.983 133 E CA 1.160 57.511 56.400 -0.082 0.000 0.818 133 E CB -0.048 29.624 29.700 -0.048 0.000 0.758 133 E HN 0.479 nan 8.360 nan 0.000 0.467 134 K N 1.399 121.672 120.400 -0.212 0.000 2.155 134 K HA -0.004 4.316 4.320 0.001 0.000 0.203 134 K C 1.796 178.269 176.600 -0.212 0.000 1.052 134 K CA 1.090 57.179 56.287 -0.329 0.000 0.948 134 K CB -0.185 31.924 32.500 -0.652 0.000 0.728 134 K HN 0.066 nan 8.250 nan 0.000 0.448 135 A N 0.486 123.214 122.820 -0.153 0.000 1.969 135 A HA -0.140 4.180 4.320 0.001 0.000 0.218 135 A C 1.945 179.504 177.584 -0.041 0.000 1.169 135 A CA 1.235 53.233 52.037 -0.065 0.000 0.635 135 A CB -0.427 18.578 19.000 0.009 0.000 0.810 135 A HN 0.329 nan 8.150 nan 0.000 0.445 136 Q N 0.036 119.808 119.800 -0.046 0.000 2.119 136 Q HA -0.148 4.192 4.340 0.001 0.000 0.201 136 Q C 1.814 177.790 176.000 -0.039 0.000 0.972 136 Q CA 1.599 57.385 55.803 -0.028 0.000 0.847 136 Q CB -0.370 28.355 28.738 -0.022 0.000 0.903 136 Q HN 0.826 nan 8.270 nan 0.000 0.433 137 E N 0.302 120.463 120.200 -0.066 0.000 2.106 137 E HA -0.100 4.250 4.350 0.001 0.000 0.192 137 E C 2.112 178.678 176.600 -0.056 0.000 0.984 137 E CA 0.651 57.012 56.400 -0.066 0.000 0.806 137 E CB -0.100 29.541 29.700 -0.099 0.000 0.750 137 E HN 0.321 nan 8.360 nan 0.000 0.458 138 I N 1.145 121.677 120.570 -0.064 0.000 2.315 138 I HA -0.250 3.920 4.170 0.001 0.000 0.248 138 I C 2.341 178.448 176.117 -0.017 0.000 1.117 138 I CA 0.911 62.186 61.300 -0.042 0.000 1.404 138 I CB -0.153 37.821 38.000 -0.043 0.000 1.071 138 I HN 0.081 nan 8.210 nan 0.000 0.419 139 L N 0.187 121.402 121.223 -0.013 0.000 2.141 139 L HA -0.215 4.126 4.340 0.001 0.000 0.209 139 L C 2.010 178.879 176.870 -0.001 0.000 1.094 139 L CA 1.118 55.957 54.840 -0.000 0.000 0.763 139 L CB -0.606 41.455 42.059 0.003 0.000 0.908 139 L HN 0.255 nan 8.230 nan 0.000 0.437 140 D N -0.382 120.013 120.400 -0.008 0.000 2.149 140 D HA -0.186 4.455 4.640 0.001 0.000 0.201 140 D C 2.026 178.322 176.300 -0.005 0.000 0.972 140 D CA 0.926 54.923 54.000 -0.006 0.000 0.835 140 D CB 0.115 40.908 40.800 -0.010 0.000 0.966 140 D HN 0.370 nan 8.370 nan 0.000 0.476 141 E N 0.560 120.755 120.200 -0.009 0.000 2.047 141 E HA -0.117 4.233 4.350 0.001 0.000 0.191 141 E C 2.175 178.775 176.600 -0.000 0.000 0.987 141 E CA 0.684 57.080 56.400 -0.007 0.000 0.799 141 E CB -0.009 29.683 29.700 -0.013 0.000 0.752 141 E HN 0.382 nan 8.360 nan 0.000 0.449 142 I N -1.304 119.268 120.570 0.004 0.000 3.564 142 I HA 0.230 4.401 4.170 0.001 0.000 0.294 142 I C 0.750 176.875 176.117 0.013 0.000 1.289 142 I CA -0.171 61.136 61.300 0.012 0.000 1.325 142 I CB -0.076 37.938 38.000 0.023 0.000 1.039 142 I HN -0.104 nan 8.210 nan 0.000 0.474 143 A N 2.033 124.859 122.820 0.010 0.000 2.524 143 A HA 0.377 4.698 4.320 0.001 0.000 0.250 143 A C -0.064 177.526 177.584 0.010 0.000 1.078 143 A CA -0.128 51.916 52.037 0.011 0.000 0.761 143 A CB -0.442 18.564 19.000 0.009 0.000 1.012 143 A HN 0.370 nan 8.150 nan 0.000 0.500 144 I N 4.333 124.910 120.570 0.012 0.000 2.347 144 I HA 0.123 4.294 4.170 0.001 0.000 0.294 144 I C 0.675 176.799 176.117 0.011 0.000 1.090 144 I CA 0.166 61.472 61.300 0.011 0.000 1.314 144 I CB 0.201 38.208 38.000 0.011 0.000 1.423 144 I HN 0.458 nan 8.210 nan 0.000 0.503 145 R N 5.203 125.709 120.500 0.011 0.000 2.442 145 R HA 0.471 4.812 4.340 0.001 0.000 0.291 145 R C -0.169 176.140 176.300 0.015 0.000 1.069 145 R CA -0.315 55.793 56.100 0.014 0.000 1.022 145 R CB 1.204 31.512 30.300 0.013 0.000 0.976 145 R HN 0.457 nan 8.270 nan 0.000 0.443 146 V N 1.037 120.962 119.914 0.018 0.000 3.158 146 V HA 0.256 4.376 4.120 0.001 0.000 0.311 146 V C -0.938 175.171 176.094 0.025 0.000 1.181 146 V CA -0.951 61.360 62.300 0.017 0.000 1.054 146 V CB 2.770 34.601 31.823 0.013 0.000 1.085 146 V HN 0.760 nan 8.190 nan 0.000 0.446 147 D N 2.597 123.011 120.400 0.025 0.000 2.336 147 D HA 0.399 5.040 4.640 0.001 0.000 0.249 147 D C -1.750 174.572 176.300 0.038 0.000 1.213 147 D CA -1.296 52.726 54.000 0.037 0.000 0.870 147 D CB 1.859 42.679 40.800 0.034 0.000 1.076 147 D HN 0.328 nan 8.370 nan 0.000 0.483 148 P HA -0.191 nan 4.420 nan 0.000 0.219 148 P C 0.020 177.290 177.300 -0.050 0.000 1.149 148 P CA 1.204 64.340 63.100 0.061 0.000 0.835 148 P CB 0.126 31.954 31.700 0.214 0.000 0.778 149 D N -3.581 116.808 120.400 -0.018 0.000 2.513 149 D HA 0.030 4.671 4.640 0.001 0.000 0.222 149 D C -0.199 176.078 176.300 -0.038 0.000 1.210 149 D CA -0.366 53.577 54.000 -0.095 0.000 0.825 149 D CB -1.062 39.688 40.800 -0.083 0.000 1.037 149 D HN -0.010 nan 8.370 nan 0.000 0.506 150 D N 1.766 122.158 120.400 -0.013 0.000 2.359 150 D HA -0.079 4.562 4.640 0.001 0.000 0.273 150 D C 1.225 177.517 176.300 -0.014 0.000 1.362 150 D CA 0.225 54.223 54.000 -0.004 0.000 1.010 150 D CB 0.566 41.368 40.800 0.004 0.000 1.090 150 D HN 0.210 nan 8.370 nan 0.000 0.521 151 E N 2.639 122.831 120.200 -0.014 0.000 2.187 151 E HA -0.288 4.062 4.350 0.001 0.000 0.199 151 E C 1.206 177.801 176.600 -0.008 0.000 1.004 151 E CA 0.924 57.315 56.400 -0.015 0.000 0.813 151 E CB 0.290 29.984 29.700 -0.009 0.000 0.736 151 E HN 0.541 nan 8.360 nan 0.000 0.468 152 E N -0.244 119.954 120.200 -0.003 0.000 2.012 152 E HA -0.186 4.164 4.350 0.001 0.000 0.197 152 E C 2.287 178.887 176.600 -0.000 0.000 1.007 152 E CA 2.129 58.529 56.400 -0.000 0.000 0.816 152 E CB -0.441 29.260 29.700 0.002 0.000 0.762 152 E HN 0.484 nan 8.360 nan 0.000 0.451 153 T N -0.305 114.249 114.554 -0.001 0.000 2.777 153 T HA -0.148 4.203 4.350 0.001 0.000 0.266 153 T C 2.119 176.817 174.700 -0.003 0.000 1.040 153 T CA 0.991 63.091 62.100 0.000 0.000 1.141 153 T CB -0.445 68.424 68.868 0.001 0.000 0.868 153 T HN -0.024 nan 8.240 nan 0.000 0.444 154 L N 0.513 121.730 121.223 -0.011 0.000 2.013 154 L HA 0.040 4.381 4.340 0.001 0.000 0.212 154 L C 2.546 179.413 176.870 -0.006 0.000 1.073 154 L CA 1.277 56.107 54.840 -0.016 0.000 0.753 154 L CB -1.389 40.651 42.059 -0.033 0.000 0.890 154 L HN 0.249 nan 8.230 nan 0.000 0.432 155 L N -0.788 120.433 121.223 -0.004 0.000 2.127 155 L HA -0.216 4.125 4.340 0.001 0.000 0.211 155 L C 2.426 179.301 176.870 0.007 0.000 1.089 155 L CA 1.677 56.519 54.840 0.003 0.000 0.757 155 L CB -0.674 41.387 42.059 0.003 0.000 0.899 155 L HN 0.262 nan 8.230 nan 0.000 0.434 156 K N -1.098 119.306 120.400 0.007 0.000 2.062 156 K HA -0.069 4.252 4.320 0.001 0.000 0.205 156 K C 2.029 178.637 176.600 0.013 0.000 1.051 156 K CA 0.967 57.261 56.287 0.011 0.000 0.941 156 K CB -0.060 32.446 32.500 0.010 0.000 0.719 156 K HN 0.200 nan 8.250 nan 0.000 0.440 157 I N 1.215 121.791 120.570 0.010 0.000 2.226 157 I HA -0.263 3.908 4.170 0.001 0.000 0.245 157 I C 2.475 178.600 176.117 0.014 0.000 1.100 157 I CA 1.267 62.574 61.300 0.011 0.000 1.374 157 I CB -0.905 37.098 38.000 0.006 0.000 1.057 157 I HN 0.150 nan 8.210 nan 0.000 0.413 158 A N 1.033 123.861 122.820 0.013 0.000 1.845 158 A HA -0.138 4.182 4.320 0.001 0.000 0.215 158 A C 2.597 180.194 177.584 0.022 0.000 1.195 158 A CA 2.020 54.068 52.037 0.018 0.000 0.616 158 A CB -0.944 18.067 19.000 0.019 0.000 0.832 158 A HN 0.413 nan 8.150 nan 0.000 0.443 159 A N -1.084 121.749 122.820 0.021 0.000 1.940 159 A HA -0.123 4.198 4.320 0.001 0.000 0.219 159 A C 2.277 179.879 177.584 0.030 0.000 1.176 159 A CA 2.435 54.486 52.037 0.024 0.000 0.631 159 A CB -1.296 17.715 19.000 0.019 0.000 0.814 159 A HN 0.465 nan 8.150 nan 0.000 0.446 160 T N -0.766 113.806 114.554 0.030 0.000 2.777 160 T HA -0.123 4.228 4.350 0.001 0.000 0.266 160 T C 2.272 176.991 174.700 0.032 0.000 1.040 160 T CA 1.594 63.716 62.100 0.036 0.000 1.141 160 T CB -0.339 68.547 68.868 0.031 0.000 0.868 160 T HN 0.567 nan 8.240 nan 0.000 0.444 161 S N 0.847 116.561 115.700 0.024 0.000 2.359 161 S HA -0.107 4.364 4.470 0.001 0.000 0.224 161 S C 1.952 176.563 174.600 0.018 0.000 1.035 161 S CA 0.937 59.148 58.200 0.018 0.000 1.018 161 S CB -0.393 62.816 63.200 0.015 0.000 0.876 161 S HN 0.313 nan 8.310 nan 0.000 0.448 162 I N 1.602 122.186 120.570 0.023 0.000 2.676 162 I HA -0.002 4.169 4.170 0.001 0.000 0.259 162 I C 0.958 177.096 176.117 0.035 0.000 1.194 162 I CA 0.645 61.959 61.300 0.025 0.000 1.473 162 I CB -2.089 35.928 38.000 0.028 0.000 1.096 162 I HN 0.257 nan 8.210 nan 0.000 0.443 163 T N 1.368 115.950 114.554 0.047 0.000 2.940 163 T HA 0.317 4.668 4.350 0.001 0.000 0.309 163 T C 1.283 176.022 174.700 0.065 0.000 1.056 163 T CA 0.847 62.992 62.100 0.074 0.000 1.137 163 T CB 0.874 69.807 68.868 0.109 0.000 0.976 163 T HN 0.592 nan 8.240 nan 0.000 0.547 164 G N 1.966 110.814 108.800 0.079 0.000 2.157 164 G HA2 -0.221 3.739 3.960 0.001 0.000 0.248 164 G HA3 -0.221 3.739 3.960 0.001 0.000 0.248 164 G C 0.017 174.934 174.900 0.029 0.000 0.979 164 G CA 0.199 45.328 45.100 0.048 0.000 0.650 164 G HN 0.678 nan 8.290 nan 0.000 0.529 165 K N -0.847 119.572 120.400 0.032 0.000 2.295 165 K HA 0.492 4.812 4.320 0.001 0.000 0.239 165 K C 1.005 177.622 176.600 0.028 0.000 0.991 165 K CA -0.437 55.863 56.287 0.021 0.000 0.845 165 K CB 1.101 33.608 32.500 0.012 0.000 1.197 165 K HN 0.016 nan 8.250 nan 0.000 0.441 166 N N 1.124 119.839 118.700 0.024 0.000 2.094 166 N HA -0.210 4.530 4.740 0.001 0.000 0.191 166 N C 1.227 176.767 175.510 0.051 0.000 1.023 166 N CA 1.965 55.034 53.050 0.032 0.000 0.857 166 N CB -0.034 38.469 38.487 0.027 0.000 1.013 166 N HN 0.637 nan 8.380 nan 0.000 0.426 167 A N 0.310 123.160 122.820 0.051 0.000 2.235 167 A HA -0.030 4.290 4.320 0.001 0.000 0.208 167 A C 1.629 179.267 177.584 0.091 0.000 1.172 167 A CA 0.722 52.810 52.037 0.086 0.000 0.786 167 A CB -0.732 18.301 19.000 0.054 0.000 0.804 167 A HN 0.711 nan 8.150 nan 0.000 0.479 168 E N -0.091 120.141 120.200 0.053 0.000 2.331 168 E HA -0.149 4.202 4.350 0.001 0.000 0.199 168 E C 1.461 178.054 176.600 -0.010 0.000 1.008 168 E CA 1.299 57.718 56.400 0.032 0.000 0.843 168 E CB -0.449 29.274 29.700 0.038 0.000 0.761 168 E HN 0.412 nan 8.360 nan 0.000 0.507 169 S N 0.492 116.174 115.700 -0.030 0.000 2.419 169 S HA -0.137 4.334 4.470 0.001 0.000 0.235 169 S C 0.405 174.741 174.600 -0.441 0.000 1.019 169 S CA 1.431 59.502 58.200 -0.215 0.000 0.982 169 S CB -0.225 62.844 63.200 -0.218 0.000 0.789 169 S HN 0.548 nan 8.310 nan 0.000 0.490 170 H N 0.009 119.080 119.070 0.002 0.000 2.562 170 H HA 0.244 4.800 4.556 0.001 0.000 0.249 170 H C 1.238 176.568 175.328 0.004 0.000 1.195 170 H CA -0.356 55.693 56.048 0.003 0.000 0.938 170 H CB 0.096 29.862 29.762 0.007 0.000 1.891 170 H HN 0.362 nan 8.280 nan 0.000 0.595 171 K N 0.719 121.153 120.400 0.056 0.000 2.160 171 K HA -0.255 4.065 4.320 0.001 0.000 0.206 171 K C 1.662 178.287 176.600 0.042 0.000 1.047 171 K CA 1.983 58.297 56.287 0.045 0.000 0.930 171 K CB 0.269 32.782 32.500 0.020 0.000 0.720 171 K HN 0.425 nan 8.250 nan 0.000 0.450 172 E N 0.685 120.906 120.200 0.035 0.000 2.047 172 E HA -0.180 4.170 4.350 0.001 0.000 0.191 172 E C 2.066 178.692 176.600 0.044 0.000 0.987 172 E CA 0.962 57.380 56.400 0.030 0.000 0.799 172 E CB -0.049 29.662 29.700 0.018 0.000 0.752 172 E HN 0.357 nan 8.360 nan 0.000 0.449 173 L N 1.154 122.418 121.223 0.068 0.000 1.994 173 L HA -0.161 4.180 4.340 0.001 0.000 0.208 173 L C 2.184 179.089 176.870 0.058 0.000 1.071 173 L CA 1.634 56.514 54.840 0.066 0.000 0.745 173 L CB -0.618 41.495 42.059 0.089 0.000 0.892 173 L HN 0.199 nan 8.230 nan 0.000 0.431 174 L N -0.328 120.936 121.223 0.068 0.000 2.046 174 L HA -0.186 4.155 4.340 0.001 0.000 0.208 174 L C 2.727 179.628 176.870 0.052 0.000 1.077 174 L CA 1.230 56.106 54.840 0.059 0.000 0.747 174 L CB -1.147 40.947 42.059 0.058 0.000 0.896 174 L HN 0.430 nan 8.230 nan 0.000 0.432 175 A N 0.184 123.031 122.820 0.044 0.000 1.902 175 A HA -0.255 4.066 4.320 0.001 0.000 0.217 175 A C 2.432 180.034 177.584 0.031 0.000 1.181 175 A CA 1.972 54.030 52.037 0.035 0.000 0.623 175 A CB -0.458 18.558 19.000 0.027 0.000 0.818 175 A HN 0.337 nan 8.150 nan 0.000 0.443 176 K N -0.200 120.218 120.400 0.031 0.000 2.026 176 K HA -0.104 4.217 4.320 0.001 0.000 0.208 176 K C 1.907 178.523 176.600 0.028 0.000 1.048 176 K CA 1.506 57.808 56.287 0.025 0.000 0.929 176 K CB -0.337 32.179 32.500 0.026 0.000 0.713 176 K HN 0.501 nan 8.250 nan 0.000 0.439 177 L N 0.341 121.587 121.223 0.039 0.000 2.017 177 L HA -0.174 4.166 4.340 0.001 0.000 0.208 177 L C 2.698 179.597 176.870 0.047 0.000 1.073 177 L CA 1.317 56.184 54.840 0.044 0.000 0.745 177 L CB -0.681 41.415 42.059 0.062 0.000 0.894 177 L HN 0.295 nan 8.230 nan 0.000 0.432 178 A N -0.103 122.753 122.820 0.061 0.000 1.855 178 A HA -0.137 4.184 4.320 0.001 0.000 0.215 178 A C 2.350 179.952 177.584 0.029 0.000 1.191 178 A CA 1.734 53.811 52.037 0.067 0.000 0.613 178 A CB -0.893 18.152 19.000 0.076 0.000 0.829 178 A HN 0.160 nan 8.150 nan 0.000 0.442 179 V N 0.071 119.995 119.914 0.017 0.000 2.287 179 V HA -0.294 3.827 4.120 0.001 0.000 0.248 179 V C 2.540 178.625 176.094 -0.015 0.000 1.053 179 V CA 2.421 64.718 62.300 -0.005 0.000 1.027 179 V CB -0.761 31.058 31.823 -0.007 0.000 0.646 179 V HN 0.728 nan 8.190 nan 0.000 0.447 180 E N -0.101 120.096 120.200 -0.005 0.000 2.058 180 E HA -0.245 4.106 4.350 0.001 0.000 0.194 180 E C 2.298 178.888 176.600 -0.017 0.000 0.997 180 E CA 1.395 57.790 56.400 -0.008 0.000 0.801 180 E CB -0.247 29.454 29.700 0.002 0.000 0.746 180 E HN 0.572 nan 8.360 nan 0.000 0.450 181 A N 0.406 123.217 122.820 -0.016 0.000 1.883 181 A HA -0.179 4.142 4.320 0.001 0.000 0.217 181 A C 2.405 179.963 177.584 -0.042 0.000 1.186 181 A CA 1.691 53.707 52.037 -0.036 0.000 0.624 181 A CB -0.741 18.231 19.000 -0.046 0.000 0.822 181 A HN 0.223 nan 8.150 nan 0.000 0.444 182 V N -0.049 119.843 119.914 -0.035 0.000 2.358 182 V HA -0.254 3.867 4.120 0.001 0.000 0.246 182 V C 2.450 178.506 176.094 -0.063 0.000 1.047 182 V CA 2.276 64.549 62.300 -0.045 0.000 1.035 182 V CB -0.687 31.110 31.823 -0.043 0.000 0.658 182 V HN 0.522 nan 8.190 nan 0.000 0.452 183 K N -0.305 120.053 120.400 -0.071 0.000 2.063 183 K HA -0.273 4.048 4.320 0.001 0.000 0.208 183 K C 2.330 178.908 176.600 -0.036 0.000 1.048 183 K CA 1.842 58.077 56.287 -0.086 0.000 0.928 183 K CB -0.169 32.289 32.500 -0.070 0.000 0.713 183 K HN 0.341 nan 8.250 nan 0.000 0.442 184 Q N 0.706 120.493 119.800 -0.023 0.000 2.084 184 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 184 Q C 1.713 177.713 176.000 -0.000 0.000 0.978 184 Q CA 1.579 57.378 55.803 -0.006 0.000 0.844 184 Q CB 0.089 28.820 28.738 -0.012 0.000 0.898 184 Q HN 0.273 nan 8.270 nan 0.000 0.426 185 V N -2.196 117.711 119.914 -0.013 0.000 3.649 185 V HA 0.534 4.654 4.120 0.001 0.000 0.275 185 V C 0.689 176.792 176.094 0.016 0.000 1.281 185 V CA 0.152 62.447 62.300 -0.007 0.000 1.143 185 V CB -0.852 30.952 31.823 -0.032 0.000 0.892 185 V HN 0.278 nan 8.190 nan 0.000 0.441 186 A N 0.895 123.732 122.820 0.029 0.000 2.445 186 A HA 0.506 4.826 4.320 0.001 0.000 0.242 186 A C 0.193 177.871 177.584 0.156 0.000 1.075 186 A CA -0.084 52.005 52.037 0.086 0.000 0.777 186 A CB 0.022 19.043 19.000 0.035 0.000 1.013 186 A HN 0.693 nan 8.150 nan 0.000 0.493 187 E N 0.885 121.191 120.200 0.176 0.000 2.218 187 E HA 0.283 4.633 4.350 0.001 0.000 0.263 187 E C -1.000 175.648 176.600 0.081 0.000 0.879 187 E CA -0.599 55.869 56.400 0.113 0.000 0.762 187 E CB 1.972 31.704 29.700 0.053 0.000 1.166 187 E HN 0.584 nan 8.360 nan 0.000 0.415 188 K N 3.677 124.048 120.400 -0.048 0.000 2.253 188 K HA 0.121 4.442 4.320 0.001 0.000 0.277 188 K C 0.873 177.374 176.600 -0.165 0.000 1.053 188 K CA -0.174 55.939 56.287 -0.290 0.000 0.892 188 K CB 0.641 32.826 32.500 -0.525 0.000 1.102 188 K HN 0.458 nan 8.250 nan 0.000 0.469 189 K N 2.263 122.581 120.400 -0.136 0.000 2.017 189 K HA -0.042 4.279 4.320 0.001 0.000 0.207 189 K C -0.338 176.207 176.600 -0.093 0.000 1.035 189 K CA 1.108 57.345 56.287 -0.083 0.000 0.947 189 K CB 0.015 32.484 32.500 -0.053 0.000 0.749 189 K HN 0.519 nan 8.250 nan 0.000 0.443 190 D N -1.287 119.052 120.400 -0.102 0.000 2.968 190 D HA 0.300 4.940 4.640 0.001 0.000 0.301 190 D C 0.392 176.631 176.300 -0.102 0.000 1.226 190 D CA -0.205 53.743 54.000 -0.087 0.000 0.746 190 D CB 0.973 41.741 40.800 -0.054 0.000 1.278 190 D HN 0.520 nan 8.370 nan 0.000 0.544 191 G N 0.495 109.198 108.800 -0.162 0.000 2.299 191 G HA2 -0.278 3.683 3.960 0.001 0.000 0.237 191 G HA3 -0.278 3.683 3.960 0.001 0.000 0.237 191 G C 0.115 174.906 174.900 -0.182 0.000 1.027 191 G CA -0.211 44.795 45.100 -0.157 0.000 0.619 191 G HN 0.362 nan 8.290 nan 0.000 0.513 192 K N 0.719 121.028 120.400 -0.152 0.000 2.213 192 K HA 0.589 4.909 4.320 0.001 0.000 0.270 192 K C -0.559 175.970 176.600 -0.118 0.000 1.002 192 K CA -0.639 55.601 56.287 -0.077 0.000 0.868 192 K CB 1.042 33.529 32.500 -0.022 0.000 1.093 192 K HN 0.311 nan 8.250 nan 0.000 0.454 193 Y N 0.334 120.636 120.300 0.002 0.000 2.307 193 Y HA 0.342 4.892 4.550 0.001 0.000 0.324 193 Y C 0.497 176.398 175.900 0.002 0.000 1.238 193 Y CA -0.430 57.671 58.100 0.002 0.000 1.280 193 Y CB 1.523 39.985 38.460 0.003 0.000 1.248 193 Y HN 0.198 nan 8.280 nan 0.000 0.508 194 V N 3.622 123.645 119.914 0.181 0.000 2.686 194 V HA 0.698 4.818 4.120 0.001 0.000 0.306 194 V C -1.666 174.483 176.094 0.092 0.000 1.065 194 V CA -0.648 61.712 62.300 0.100 0.000 0.894 194 V CB 1.872 33.727 31.823 0.054 0.000 1.004 194 V HN 0.501 nan 8.190 nan 0.000 0.424 195 V N 5.277 125.227 119.914 0.059 0.000 2.531 195 V HA 0.516 4.637 4.120 0.001 0.000 0.301 195 V C -0.908 175.198 176.094 0.021 0.000 1.034 195 V CA -0.594 61.728 62.300 0.037 0.000 0.865 195 V CB 1.891 33.727 31.823 0.021 0.000 0.995 195 V HN 0.919 nan 8.190 nan 0.000 0.424 196 D N 3.866 124.273 120.400 0.011 0.000 2.427 196 D HA 0.362 5.003 4.640 0.001 0.000 0.226 196 D C 0.924 177.218 176.300 -0.010 0.000 1.076 196 D CA -0.300 53.702 54.000 0.002 0.000 0.849 196 D CB 1.571 42.370 40.800 -0.001 0.000 1.052 196 D HN 0.441 nan 8.370 nan 0.000 0.515 197 L N 2.475 123.695 121.223 -0.005 0.000 2.353 197 L HA -0.101 4.240 4.340 0.001 0.000 0.220 197 L C 1.357 178.204 176.870 -0.038 0.000 1.133 197 L CA 0.603 55.436 54.840 -0.013 0.000 0.798 197 L CB -0.055 42.017 42.059 0.022 0.000 0.922 197 L HN 0.358 nan 8.230 nan 0.000 0.445 198 D N 0.170 120.553 120.400 -0.029 0.000 2.310 198 D HA -0.123 4.518 4.640 0.001 0.000 0.212 198 D C 1.514 177.771 176.300 -0.070 0.000 0.965 198 D CA 0.769 54.744 54.000 -0.041 0.000 0.879 198 D CB -0.104 40.680 40.800 -0.026 0.000 0.921 198 D HN 0.387 nan 8.370 nan 0.000 0.510 199 N N 0.196 118.853 118.700 -0.072 0.000 2.461 199 N HA 0.043 4.784 4.740 0.001 0.000 0.188 199 N C 0.334 175.764 175.510 -0.132 0.000 1.134 199 N CA 0.181 53.180 53.050 -0.085 0.000 0.878 199 N CB 1.029 39.481 38.487 -0.058 0.000 0.972 199 N HN 0.277 nan 8.380 nan 0.000 0.456 200 I N 1.033 121.493 120.570 -0.183 0.000 2.355 200 I HA 0.173 4.344 4.170 0.001 0.000 0.288 200 I C 0.222 176.066 176.117 -0.454 0.000 0.999 200 I CA -0.615 60.496 61.300 -0.315 0.000 1.163 200 I CB 1.554 39.345 38.000 -0.349 0.000 1.316 200 I HN -0.242 nan 8.210 nan 0.000 0.454 201 K N 6.523 126.666 120.400 -0.428 0.000 2.123 201 K HA 0.561 4.881 4.320 0.001 0.000 0.259 201 K C -1.497 174.798 176.600 -0.508 0.000 0.960 201 K CA -0.435 55.628 56.287 -0.374 0.000 0.872 201 K CB 1.141 33.516 32.500 -0.209 0.000 1.079 201 K HN 0.347 nan 8.250 nan 0.000 0.440 202 F N 2.305 122.226 119.950 -0.047 0.000 2.402 202 F HA 0.235 4.763 4.527 0.001 0.000 0.355 202 F C -0.024 175.743 175.800 -0.054 0.000 1.123 202 F CA -0.833 57.141 58.000 -0.044 0.000 1.021 202 F CB 1.813 40.793 39.000 -0.032 0.000 1.160 202 F HN 0.525 nan 8.300 nan 0.000 0.451 203 E N 4.039 124.297 120.200 0.097 0.000 2.171 203 E HA 0.431 4.782 4.350 0.001 0.000 0.271 203 E C -1.375 175.246 176.600 0.036 0.000 0.916 203 E CA -0.723 55.689 56.400 0.020 0.000 0.774 203 E CB 1.115 30.776 29.700 -0.065 0.000 1.128 203 E HN 0.450 nan 8.360 nan 0.000 0.403 204 K N 3.455 123.866 120.400 0.019 0.000 2.259 204 K HA 0.587 4.907 4.320 0.001 0.000 0.252 204 K C -0.863 175.739 176.600 0.002 0.000 0.936 204 K CA -1.149 55.145 56.287 0.011 0.000 0.810 204 K CB 1.548 34.047 32.500 -0.001 0.000 1.143 204 K HN 0.171 nan 8.250 nan 0.000 0.427 205 K N 1.529 121.933 120.400 0.006 0.000 2.619 205 K HA 0.313 4.633 4.320 0.001 0.000 0.251 205 K C -1.034 175.571 176.600 0.007 0.000 0.987 205 K CA -0.522 55.772 56.287 0.011 0.000 0.844 205 K CB 1.988 34.505 32.500 0.030 0.000 1.237 205 K HN 0.844 nan 8.250 nan 0.000 0.447 206 A N 1.243 124.063 122.820 -0.000 0.000 2.448 206 A HA 0.674 4.994 4.320 0.001 0.000 0.239 206 A C 0.626 178.215 177.584 0.007 0.000 1.080 206 A CA 1.151 53.188 52.037 -0.001 0.000 0.779 206 A CB 0.004 19.001 19.000 -0.005 0.000 1.026 206 A HN 0.948 nan 8.150 nan 0.000 0.499 207 G N 0.114 108.918 108.800 0.007 0.000 2.484 207 G HA2 0.420 4.380 3.960 0.001 0.000 0.685 207 G HA3 0.420 4.380 3.960 0.001 0.000 0.685 207 G C -0.365 174.539 174.900 0.006 0.000 1.294 207 G CA -0.037 45.068 45.100 0.009 0.000 0.879 207 G HN 1.527 nan 8.290 nan 0.000 0.646 208 E N -1.666 118.537 120.200 0.005 0.000 3.509 208 E HA -0.133 4.217 4.350 0.001 0.000 0.270 208 E C 0.862 177.457 176.600 -0.008 0.000 1.485 208 E CA 1.926 58.326 56.400 -0.000 0.000 2.150 208 E CB -1.344 28.355 29.700 -0.002 0.000 2.030 208 E HN 2.130 nan 8.360 nan 0.000 0.478 209 G N -1.587 107.198 108.800 -0.026 0.000 2.798 209 G HA2 0.484 4.445 3.960 0.001 0.000 0.286 209 G HA3 0.484 4.445 3.960 0.001 0.000 0.286 209 G C 0.655 175.485 174.900 -0.117 0.000 1.389 209 G CA -0.098 44.973 45.100 -0.049 0.000 0.894 209 G HN 0.268 nan 8.290 nan 0.000 0.488 210 V N 0.359 120.150 119.914 -0.205 0.000 2.720 210 V HA -0.102 4.018 4.120 0.001 0.000 0.256 210 V C 2.631 178.458 176.094 -0.444 0.000 1.082 210 V CA 1.800 63.914 62.300 -0.310 0.000 1.101 210 V CB -0.311 31.308 31.823 -0.339 0.000 0.693 210 V HN 0.668 nan 8.190 nan 0.000 0.479 211 E N 0.475 120.356 120.200 -0.531 0.000 2.118 211 E HA -0.226 4.125 4.350 0.001 0.000 0.195 211 E C 2.041 178.575 176.600 -0.111 0.000 0.992 211 E CA 1.200 57.423 56.400 -0.295 0.000 0.804 211 E CB -0.048 29.605 29.700 -0.080 0.000 0.741 211 E HN 0.650 nan 8.360 nan 0.000 0.458 212 E N 0.335 120.484 120.200 -0.085 0.000 2.511 212 E HA 0.041 4.392 4.350 0.001 0.000 0.196 212 E C 0.245 176.837 176.600 -0.014 0.000 1.066 212 E CA -0.073 56.309 56.400 -0.030 0.000 0.871 212 E CB 0.155 29.846 29.700 -0.015 0.000 0.863 212 E HN -0.054 nan 8.360 nan 0.000 0.520 213 S N 1.435 117.114 115.700 -0.035 0.000 2.566 213 S HA 0.123 4.594 4.470 0.001 0.000 0.280 213 S C 0.335 174.948 174.600 0.021 0.000 1.343 213 S CA 0.025 58.223 58.200 -0.003 0.000 1.036 213 S CB 0.353 63.544 63.200 -0.015 0.000 0.866 213 S HN 0.321 nan 8.310 nan 0.000 0.526 214 E N 0.191 120.416 120.200 0.042 0.000 2.445 214 E HA 0.579 4.930 4.350 0.001 0.000 0.279 214 E C -1.748 174.880 176.600 0.046 0.000 1.018 214 E CA -1.040 55.388 56.400 0.046 0.000 0.816 214 E CB 0.796 30.531 29.700 0.058 0.000 1.356 214 E HN 0.323 nan 8.360 nan 0.000 0.462 215 L N 1.513 122.760 121.223 0.038 0.000 2.287 215 L HA 0.461 4.802 4.340 0.001 0.000 0.287 215 L C -1.485 175.400 176.870 0.024 0.000 1.022 215 L CA -0.672 54.182 54.840 0.022 0.000 0.814 215 L CB 1.616 43.684 42.059 0.016 0.000 1.217 215 L HN 0.503 nan 8.230 nan 0.000 0.420 216 V N 6.183 126.103 119.914 0.010 0.000 2.370 216 V HA 0.436 4.557 4.120 0.001 0.000 0.279 216 V C 0.570 176.661 176.094 -0.006 0.000 1.029 216 V CA -0.592 61.721 62.300 0.021 0.000 0.870 216 V CB 1.120 32.952 31.823 0.014 0.000 0.984 216 V HN 0.636 nan 8.190 nan 0.000 0.451 217 R N 4.271 124.776 120.500 0.008 0.000 3.710 217 R HA 0.519 4.860 4.340 0.001 0.000 0.201 217 R C 0.716 177.012 176.300 -0.007 0.000 1.641 217 R CA 0.289 56.389 56.100 -0.001 0.000 1.390 217 R CB 0.153 30.462 30.300 0.014 0.000 1.341 217 R HN 0.981 nan 8.270 nan 0.000 0.728 218 G N -0.421 108.360 108.800 -0.031 0.000 2.512 218 G HA2 0.141 4.102 3.960 0.001 0.000 0.181 218 G HA3 0.141 4.102 3.960 0.001 0.000 0.181 218 G C -1.536 173.314 174.900 -0.084 0.000 1.173 218 G CA -0.604 44.468 45.100 -0.045 0.000 0.988 218 G HN 0.097 nan 8.290 nan 0.000 0.485 219 V N -0.032 119.819 119.914 -0.105 0.000 2.789 219 V HA 0.730 4.850 4.120 0.001 0.000 0.311 219 V C -0.461 175.511 176.094 -0.203 0.000 1.073 219 V CA -0.764 61.440 62.300 -0.160 0.000 0.921 219 V CB 1.724 33.429 31.823 -0.197 0.000 1.009 219 V HN 0.741 nan 8.190 nan 0.000 0.426 220 V N 5.199 124.952 119.914 -0.269 0.000 2.409 220 V HA 0.575 4.695 4.120 0.001 0.000 0.291 220 V C -0.691 175.230 176.094 -0.288 0.000 1.020 220 V CA -0.316 61.729 62.300 -0.425 0.000 0.848 220 V CB 1.561 33.018 31.823 -0.611 0.000 0.990 220 V HN 0.704 nan 8.190 nan 0.000 0.430 221 I N 3.468 123.902 120.570 -0.227 0.000 2.465 221 I HA 0.371 4.542 4.170 0.001 0.000 0.291 221 I C 0.158 176.233 176.117 -0.070 0.000 1.014 221 I CA -0.227 60.996 61.300 -0.129 0.000 1.093 221 I CB 1.792 39.734 38.000 -0.096 0.000 1.267 221 I HN 0.448 nan 8.210 nan 0.000 0.431 222 D N 7.090 127.459 120.400 -0.051 0.000 2.551 222 D HA 0.150 4.791 4.640 0.001 0.000 0.223 222 D C -0.461 175.849 176.300 0.016 0.000 1.144 222 D CA 0.334 54.325 54.000 -0.016 0.000 1.025 222 D CB 0.079 40.868 40.800 -0.018 0.000 1.085 222 D HN 0.255 nan 8.370 nan 0.000 0.506 223 K N 1.118 121.544 120.400 0.042 0.000 2.522 223 K HA 0.406 4.727 4.320 0.001 0.000 0.275 223 K C -0.399 176.247 176.600 0.077 0.000 1.006 223 K CA -0.663 55.663 56.287 0.064 0.000 0.890 223 K CB 1.934 34.490 32.500 0.093 0.000 1.475 223 K HN 0.190 nan 8.250 nan 0.000 0.441 224 E N 0.303 120.544 120.200 0.068 0.000 2.281 224 E HA 0.376 4.726 4.350 0.001 0.000 0.262 224 E C -0.788 175.845 176.600 0.054 0.000 0.933 224 E CA -1.075 55.361 56.400 0.060 0.000 0.809 224 E CB 2.317 32.042 29.700 0.042 0.000 1.242 224 E HN 0.097 nan 8.360 nan 0.000 0.418 225 V N 2.566 122.506 119.914 0.043 0.000 2.470 225 V HA -0.068 4.053 4.120 0.001 0.000 0.276 225 V C 1.363 177.480 176.094 0.038 0.000 1.040 225 V CA 0.370 62.686 62.300 0.028 0.000 1.008 225 V CB 1.110 32.948 31.823 0.025 0.000 0.990 225 V HN 0.641 nan 8.190 nan 0.000 0.477 226 V N 4.685 124.624 119.914 0.042 0.000 2.380 226 V HA -0.192 3.929 4.120 0.001 0.000 0.251 226 V C 0.899 177.041 176.094 0.081 0.000 1.063 226 V CA 2.113 64.447 62.300 0.057 0.000 1.055 226 V CB -0.427 31.433 31.823 0.062 0.000 0.657 226 V HN 1.009 nan 8.190 nan 0.000 0.455 227 H N -1.467 117.605 119.070 0.003 0.000 2.572 227 H HA 0.411 4.967 4.556 0.001 0.000 0.359 227 H C -1.878 173.453 175.328 0.005 0.000 1.134 227 H CA -1.848 54.205 56.048 0.008 0.000 1.187 227 H CB 2.270 32.039 29.762 0.011 0.000 1.597 227 H HN -0.065 nan 8.280 nan 0.000 0.524 228 P HA -0.099 nan 4.420 nan 0.000 0.218 228 P C 1.223 178.604 177.300 0.134 0.000 1.149 228 P CA 0.939 64.039 63.100 0.000 0.000 0.817 228 P CB 0.325 31.964 31.700 -0.102 0.000 0.785 229 R N -1.182 119.537 120.500 0.365 0.000 2.313 229 R HA 0.184 4.524 4.340 0.001 0.000 0.199 229 R C 0.803 177.164 176.300 0.102 0.000 0.958 229 R CA 0.212 56.436 56.100 0.208 0.000 1.047 229 R CB -0.399 30.014 30.300 0.188 0.000 0.955 229 R HN 0.342 nan 8.270 nan 0.000 0.481 230 M N 0.986 120.655 119.600 0.115 0.000 2.247 230 M HA 0.220 4.701 4.480 0.001 0.000 0.326 230 M C -2.055 174.260 176.300 0.025 0.000 1.134 230 M CA -1.680 53.641 55.300 0.036 0.000 1.136 230 M CB 0.322 32.942 32.600 0.034 0.000 1.454 230 M HN -0.292 nan 8.290 nan 0.000 0.467 231 P HA 0.043 nan 4.420 nan 0.000 0.268 231 P C -0.305 176.998 177.300 0.004 0.000 1.205 231 P CA -0.023 63.079 63.100 0.004 0.000 0.771 231 P CB 0.477 32.175 31.700 -0.003 0.000 0.858 232 K N 1.745 122.150 120.400 0.007 0.000 2.404 232 K HA 0.124 4.444 4.320 0.001 0.000 0.194 232 K C 0.573 177.177 176.600 0.007 0.000 1.023 232 K CA 0.378 56.671 56.287 0.010 0.000 1.094 232 K CB 0.360 32.866 32.500 0.011 0.000 0.841 232 K HN 0.419 nan 8.250 nan 0.000 0.523 233 R N 0.103 120.604 120.500 0.001 0.000 2.515 233 R HA 0.297 4.637 4.340 0.001 0.000 0.278 233 R C -1.813 174.486 176.300 -0.003 0.000 1.107 233 R CA -0.286 55.814 56.100 -0.001 0.000 0.945 233 R CB 1.557 31.852 30.300 -0.008 0.000 1.219 233 R HN -0.227 nan 8.270 nan 0.000 0.434 234 V N 4.697 124.609 119.914 -0.003 0.000 2.444 234 V HA 0.230 4.351 4.120 0.001 0.000 0.294 234 V C 0.742 176.832 176.094 -0.007 0.000 1.022 234 V CA -0.725 61.572 62.300 -0.005 0.000 0.850 234 V CB 1.622 33.437 31.823 -0.012 0.000 0.992 234 V HN 0.833 nan 8.190 nan 0.000 0.426 235 E N 2.799 123.000 120.200 0.002 0.000 1.984 235 E HA -0.076 4.274 4.350 0.001 0.000 0.203 235 E C 0.378 176.979 176.600 0.002 0.000 0.998 235 E CA 1.110 57.514 56.400 0.008 0.000 0.865 235 E CB -0.022 29.693 29.700 0.024 0.000 0.806 235 E HN 0.617 nan 8.360 nan 0.000 0.504 236 N N 1.488 120.216 118.700 0.046 0.000 3.229 236 N HA 0.257 4.998 4.740 0.001 0.000 0.275 236 N C -0.740 174.809 175.510 0.065 0.000 1.225 236 N CA -0.009 53.101 53.050 0.101 0.000 1.119 236 N CB 0.674 39.311 38.487 0.251 0.000 1.392 236 N HN 0.116 nan 8.380 nan 0.000 0.520 237 A N 1.649 124.437 122.820 -0.053 0.000 2.567 237 A HA -0.019 4.302 4.320 0.001 0.000 0.240 237 A C 0.521 178.122 177.584 0.028 0.000 1.053 237 A CA 0.432 52.452 52.037 -0.027 0.000 0.755 237 A CB 0.298 19.266 19.000 -0.053 0.000 0.978 237 A HN 0.365 nan 8.150 nan 0.000 0.507 238 K N 2.343 122.775 120.400 0.053 0.000 2.334 238 K HA 0.405 4.726 4.320 0.001 0.000 0.265 238 K C -1.322 175.309 176.600 0.051 0.000 1.039 238 K CA -0.195 56.138 56.287 0.077 0.000 0.920 238 K CB 0.916 33.454 32.500 0.063 0.000 1.160 238 K HN 0.586 nan 8.250 nan 0.000 0.451 239 I N 2.685 123.298 120.570 0.073 0.000 2.315 239 I HA 0.228 4.398 4.170 0.001 0.000 0.291 239 I C 0.147 176.321 176.117 0.095 0.000 1.006 239 I CA -0.177 61.177 61.300 0.091 0.000 1.265 239 I CB 1.637 39.725 38.000 0.147 0.000 1.387 239 I HN 0.490 nan 8.210 nan 0.000 0.475 240 A N 6.974 129.843 122.820 0.081 0.000 2.304 240 A HA 0.840 5.160 4.320 0.001 0.000 0.323 240 A C -1.020 176.638 177.584 0.122 0.000 1.195 240 A CA -0.473 51.610 52.037 0.077 0.000 0.826 240 A CB 0.651 19.675 19.000 0.041 0.000 1.184 240 A HN 0.502 nan 8.150 nan 0.000 0.496 241 L N 3.250 124.539 121.223 0.111 0.000 2.316 241 L HA 0.554 4.895 4.340 0.001 0.000 0.280 241 L C -0.557 176.359 176.870 0.077 0.000 1.006 241 L CA 0.031 54.944 54.840 0.122 0.000 0.836 241 L CB 0.872 42.985 42.059 0.090 0.000 1.221 241 L HN 0.597 nan 8.230 nan 0.000 0.418 242 I N 3.006 123.622 120.570 0.077 0.000 2.466 242 I HA 0.313 4.484 4.170 0.001 0.000 0.289 242 I C 0.437 176.581 176.117 0.045 0.000 1.026 242 I CA -0.501 60.826 61.300 0.046 0.000 1.078 242 I CB 1.850 39.870 38.000 0.034 0.000 1.249 242 I HN 0.591 nan 8.210 nan 0.000 0.429 243 N N 3.747 122.465 118.700 0.029 0.000 2.392 243 N HA -0.044 4.697 4.740 0.001 0.000 0.177 243 N C 0.421 175.943 175.510 0.020 0.000 1.066 243 N CA -0.022 53.044 53.050 0.026 0.000 0.895 243 N CB 0.239 38.736 38.487 0.017 0.000 0.988 243 N HN 0.664 nan 8.380 nan 0.000 0.457 244 E N 0.771 120.980 120.200 0.014 0.000 2.331 244 E HA 0.388 4.739 4.350 0.001 0.000 0.272 244 E C -0.555 176.054 176.600 0.014 0.000 1.036 244 E CA -0.781 55.625 56.400 0.009 0.000 0.864 244 E CB 0.909 30.609 29.700 -0.000 0.000 1.035 244 E HN 0.296 nan 8.360 nan 0.000 0.408 245 A N 4.037 126.866 122.820 0.015 0.000 2.498 245 A HA 0.123 4.444 4.320 0.001 0.000 0.239 245 A C -0.219 177.377 177.584 0.020 0.000 1.068 245 A CA -0.302 51.747 52.037 0.020 0.000 0.766 245 A CB 0.179 19.190 19.000 0.020 0.000 1.003 245 A HN 0.560 nan 8.150 nan 0.000 0.497 246 L N 3.101 124.340 121.223 0.027 0.000 2.422 246 L HA 0.302 4.642 4.340 0.001 0.000 0.256 246 L C 0.323 177.216 176.870 0.039 0.000 1.202 246 L CA 0.897 55.755 54.840 0.030 0.000 1.119 246 L CB -1.070 41.011 42.059 0.036 0.000 1.383 246 L HN 0.831 nan 8.230 nan 0.000 0.411 247 E N -0.177 120.043 120.200 0.033 0.000 2.456 247 E HA 0.436 4.787 4.350 0.001 0.000 0.276 247 E C -1.074 175.546 176.600 0.033 0.000 0.981 247 E CA -1.208 55.213 56.400 0.036 0.000 0.814 247 E CB 1.892 31.610 29.700 0.030 0.000 1.382 247 E HN -0.177 nan 8.360 nan 0.000 0.459 248 V N 2.565 122.501 119.914 0.036 0.000 2.450 248 V HA 0.005 4.126 4.120 0.001 0.000 0.281 248 V C 0.170 176.280 176.094 0.026 0.000 1.019 248 V CA 0.268 62.589 62.300 0.035 0.000 1.062 248 V CB -0.190 31.657 31.823 0.041 0.000 0.979 248 V HN 0.422 nan 8.190 nan 0.000 0.477 249 K N 5.412 125.826 120.400 0.022 0.000 2.270 249 K HA 0.407 4.728 4.320 0.001 0.000 0.276 249 K C -0.390 176.220 176.600 0.016 0.000 1.023 249 K CA -0.391 55.906 56.287 0.016 0.000 0.955 249 K CB 1.120 33.627 32.500 0.010 0.000 0.975 249 K HN 0.545 nan 8.250 nan 0.000 0.471 250 K N 1.125 121.532 120.400 0.011 0.000 2.259 250 K HA 0.207 4.528 4.320 0.001 0.000 0.249 250 K C -0.159 176.444 176.600 0.006 0.000 0.942 250 K CA -0.659 55.633 56.287 0.008 0.000 0.816 250 K CB 1.755 34.257 32.500 0.003 0.000 1.155 250 K HN 0.645 nan 8.250 nan 0.000 0.428 251 T N -1.054 113.504 114.554 0.005 0.000 2.856 251 T HA 0.024 4.375 4.350 0.001 0.000 0.306 251 T C 1.095 175.796 174.700 0.002 0.000 1.062 251 T CA -0.414 61.689 62.100 0.005 0.000 1.083 251 T CB 0.961 69.832 68.868 0.005 0.000 0.984 251 T HN 0.600 nan 8.240 nan 0.000 0.542 252 E N 0.619 120.820 120.200 0.002 0.000 2.107 252 E HA 0.032 4.383 4.350 0.001 0.000 0.191 252 E C 0.663 177.263 176.600 -0.000 0.000 0.982 252 E CA 0.735 57.135 56.400 0.001 0.000 0.809 252 E CB -0.324 29.377 29.700 0.001 0.000 0.756 252 E HN 0.774 nan 8.360 nan 0.000 0.459 253 T N 1.759 116.313 114.554 0.000 0.000 2.913 253 T HA 0.087 4.438 4.350 0.001 0.000 0.297 253 T C -0.435 174.264 174.700 -0.003 0.000 1.029 253 T CA -0.536 61.564 62.100 -0.001 0.000 1.104 253 T CB 0.647 69.516 68.868 0.001 0.000 0.964 253 T HN -0.001 nan 8.240 nan 0.000 0.532 254 D N 1.717 122.114 120.400 -0.004 0.000 2.488 254 D HA 0.448 5.089 4.640 0.001 0.000 0.238 254 D C -0.090 176.204 176.300 -0.010 0.000 1.138 254 D CA 0.413 54.408 54.000 -0.008 0.000 0.873 254 D CB 0.526 41.321 40.800 -0.008 0.000 1.183 254 D HN 0.698 nan 8.370 nan 0.000 0.458 255 A N 2.036 124.846 122.820 -0.015 0.000 2.594 255 A HA 0.690 5.010 4.320 0.001 0.000 0.295 255 A C -0.874 176.688 177.584 -0.037 0.000 1.071 255 A CA -0.786 51.239 52.037 -0.021 0.000 0.685 255 A CB 1.851 20.841 19.000 -0.016 0.000 1.285 255 A HN 0.414 nan 8.150 nan 0.000 0.405 256 K N 1.375 121.745 120.400 -0.051 0.000 2.543 256 K HA 0.592 4.912 4.320 0.001 0.000 0.255 256 K C -1.724 174.807 176.600 -0.115 0.000 0.934 256 K CA -0.571 55.669 56.287 -0.077 0.000 0.810 256 K CB 1.464 33.929 32.500 -0.059 0.000 1.315 256 K HN 0.660 nan 8.250 nan 0.000 0.433 257 I N 3.605 124.059 120.570 -0.195 0.000 2.416 257 I HA 0.128 4.299 4.170 0.001 0.000 0.288 257 I C -0.231 175.756 176.117 -0.216 0.000 1.051 257 I CA -0.563 60.546 61.300 -0.319 0.000 1.375 257 I CB 0.772 38.372 38.000 -0.666 0.000 1.407 257 I HN 0.391 nan 8.210 nan 0.000 0.516 258 N N 8.318 126.935 118.700 -0.138 0.000 2.527 258 N HA 0.393 5.133 4.740 0.001 0.000 0.236 258 N C -0.482 175.012 175.510 -0.025 0.000 0.999 258 N CA -0.286 52.726 53.050 -0.062 0.000 0.935 258 N CB 1.409 39.883 38.487 -0.022 0.000 1.132 258 N HN 0.461 nan 8.380 nan 0.000 0.511 259 I N 1.359 121.912 120.570 -0.028 0.000 2.416 259 I HA 0.062 4.232 4.170 0.001 0.000 0.288 259 I C 1.415 177.555 176.117 0.039 0.000 1.051 259 I CA 0.084 61.402 61.300 0.030 0.000 1.375 259 I CB 0.861 38.870 38.000 0.016 0.000 1.407 259 I HN 0.496 nan 8.210 nan 0.000 0.516 260 T N -0.364 114.227 114.554 0.062 0.000 3.004 260 T HA 0.199 4.550 4.350 0.001 0.000 0.266 260 T C 0.261 174.987 174.700 0.043 0.000 0.986 260 T CA -0.162 61.964 62.100 0.044 0.000 0.902 260 T CB 0.159 69.052 68.868 0.041 0.000 1.118 260 T HN 0.571 nan 8.240 nan 0.000 0.522 261 S N 0.294 116.028 115.700 0.056 0.000 2.533 261 S HA 0.561 5.031 4.470 0.001 0.000 0.271 261 S C -2.828 171.802 174.600 0.050 0.000 1.143 261 S CA -1.159 57.068 58.200 0.044 0.000 0.891 261 S CB 1.984 65.206 63.200 0.036 0.000 1.105 261 S HN -0.184 nan 8.310 nan 0.000 0.468 262 P HA -0.198 nan 4.420 nan 0.000 0.217 262 P C 0.995 178.319 177.300 0.040 0.000 1.148 262 P CA 1.747 64.868 63.100 0.036 0.000 0.834 262 P CB -0.098 31.617 31.700 0.025 0.000 0.783 263 D N -0.887 119.533 120.400 0.033 0.000 2.348 263 D HA -0.167 4.474 4.640 0.001 0.000 0.216 263 D C 1.530 177.849 176.300 0.031 0.000 0.970 263 D CA 0.921 54.934 54.000 0.022 0.000 0.889 263 D CB -0.765 40.038 40.800 0.006 0.000 0.912 263 D HN 0.303 nan 8.370 nan 0.000 0.524 264 Q N -0.091 119.753 119.800 0.075 0.000 2.269 264 Q HA 0.130 4.471 4.340 0.001 0.000 0.201 264 Q C 2.470 178.611 176.000 0.235 0.000 0.946 264 Q CA 0.158 56.053 55.803 0.152 0.000 0.877 264 Q CB 0.150 29.058 28.738 0.283 0.000 0.963 264 Q HN 0.319 nan 8.270 nan 0.000 0.472 265 L N -0.055 121.258 121.223 0.150 0.000 2.079 265 L HA -0.204 4.136 4.340 0.001 0.000 0.210 265 L C 2.373 179.315 176.870 0.120 0.000 1.081 265 L CA 0.901 55.819 54.840 0.129 0.000 0.752 265 L CB -0.311 41.791 42.059 0.073 0.000 0.896 265 L HN 0.354 nan 8.230 nan 0.000 0.433 266 M N -0.851 118.797 119.600 0.080 0.000 2.325 266 M HA -0.064 4.416 4.480 0.001 0.000 0.265 266 M C 2.736 179.057 176.300 0.035 0.000 1.094 266 M CA 1.585 56.917 55.300 0.053 0.000 1.161 266 M CB -0.659 31.958 32.600 0.028 0.000 1.358 266 M HN 0.372 nan 8.290 nan 0.000 0.446 267 S N 0.412 116.106 115.700 -0.011 0.000 2.370 267 S HA -0.136 4.334 4.470 0.001 0.000 0.226 267 S C 1.900 176.414 174.600 -0.143 0.000 1.033 267 S CA 1.201 59.330 58.200 -0.118 0.000 1.011 267 S CB -1.065 61.994 63.200 -0.235 0.000 0.852 267 S HN 0.369 nan 8.310 nan 0.000 0.457 268 F N 0.797 120.754 119.950 0.011 0.000 2.206 268 F HA 0.143 4.671 4.527 0.001 0.000 0.298 268 F C 2.215 178.024 175.800 0.014 0.000 1.090 268 F CA 0.415 58.422 58.000 0.011 0.000 1.323 268 F CB -0.313 38.693 39.000 0.009 0.000 1.028 268 F HN 0.213 nan 8.300 nan 0.000 0.492 269 L N 0.359 121.696 121.223 0.190 0.000 2.093 269 L HA -0.170 4.171 4.340 0.001 0.000 0.208 269 L C 2.087 179.008 176.870 0.084 0.000 1.085 269 L CA 1.784 56.695 54.840 0.118 0.000 0.755 269 L CB -0.853 41.259 42.059 0.088 0.000 0.904 269 L HN 0.159 nan 8.230 nan 0.000 0.435 270 E N -1.641 118.594 120.200 0.059 0.000 2.216 270 E HA -0.233 4.118 4.350 0.001 0.000 0.192 270 E C 1.977 178.598 176.600 0.035 0.000 0.988 270 E CA 0.555 56.979 56.400 0.039 0.000 0.834 270 E CB 0.009 29.718 29.700 0.015 0.000 0.772 270 E HN 0.360 nan 8.360 nan 0.000 0.479 271 Q N 1.571 121.390 119.800 0.032 0.000 2.123 271 Q HA -0.149 4.192 4.340 0.001 0.000 0.199 271 Q C 1.588 177.624 176.000 0.061 0.000 0.966 271 Q CA 1.501 57.322 55.803 0.029 0.000 0.845 271 Q CB 0.106 28.854 28.738 0.016 0.000 0.907 271 Q HN 0.275 nan 8.270 nan 0.000 0.439 272 E N -0.065 120.187 120.200 0.088 0.000 2.106 272 E HA -0.169 4.182 4.350 0.001 0.000 0.192 272 E C 1.889 178.534 176.600 0.075 0.000 0.984 272 E CA 1.084 57.534 56.400 0.082 0.000 0.806 272 E CB 0.018 29.771 29.700 0.088 0.000 0.750 272 E HN 0.536 nan 8.360 nan 0.000 0.458 273 E N 1.068 121.315 120.200 0.079 0.000 2.072 273 E HA -0.177 4.173 4.350 0.001 0.000 0.191 273 E C 2.080 178.730 176.600 0.083 0.000 0.985 273 E CA 0.796 57.255 56.400 0.099 0.000 0.801 273 E CB -0.025 29.737 29.700 0.104 0.000 0.750 273 E HN 0.063 nan 8.360 nan 0.000 0.452 274 K N 0.900 121.330 120.400 0.050 0.000 2.057 274 K HA -0.161 4.159 4.320 0.001 0.000 0.207 274 K C 2.166 178.777 176.600 0.018 0.000 1.049 274 K CA 1.334 57.633 56.287 0.020 0.000 0.931 274 K CB -0.021 32.484 32.500 0.009 0.000 0.714 274 K HN 0.060 nan 8.250 nan 0.000 0.440 275 M N 0.378 119.997 119.600 0.031 0.000 2.108 275 M HA -0.196 4.285 4.480 0.001 0.000 0.261 275 M C 2.164 178.482 176.300 0.031 0.000 1.066 275 M CA 1.161 56.477 55.300 0.027 0.000 1.107 275 M CB -0.273 32.348 32.600 0.035 0.000 1.356 275 M HN 0.167 nan 8.290 nan 0.000 0.406 276 L N 0.569 121.826 121.223 0.055 0.000 2.056 276 L HA -0.148 4.192 4.340 0.001 0.000 0.207 276 L C 2.385 179.301 176.870 0.077 0.000 1.078 276 L CA 1.857 56.745 54.840 0.080 0.000 0.749 276 L CB -0.724 41.407 42.059 0.119 0.000 0.901 276 L HN 0.225 nan 8.230 nan 0.000 0.433 277 K N -0.859 119.561 120.400 0.034 0.000 2.097 277 K HA -0.172 4.148 4.320 0.001 0.000 0.205 277 K C 1.550 178.091 176.600 -0.098 0.000 1.050 277 K CA 1.554 57.763 56.287 -0.130 0.000 0.938 277 K CB -0.043 32.276 32.500 -0.301 0.000 0.718 277 K HN 0.310 nan 8.250 nan 0.000 0.442 278 D N 0.772 121.148 120.400 -0.040 0.000 2.144 278 D HA -0.157 4.483 4.640 0.001 0.000 0.200 278 D C 1.962 178.269 176.300 0.012 0.000 0.978 278 D CA 1.239 55.230 54.000 -0.014 0.000 0.833 278 D CB -0.117 40.683 40.800 0.001 0.000 0.961 278 D HN 0.314 nan 8.370 nan 0.000 0.470 279 M N 0.215 119.819 119.600 0.006 0.000 2.065 279 M HA -0.161 4.320 4.480 0.001 0.000 0.259 279 M C 2.409 178.717 176.300 0.013 0.000 1.071 279 M CA 1.145 56.446 55.300 0.003 0.000 1.109 279 M CB -0.398 32.204 32.600 0.003 0.000 1.313 279 M HN -0.116 nan 8.290 nan 0.000 0.408 280 V N 0.526 120.442 119.914 0.004 0.000 2.343 280 V HA -0.285 3.835 4.120 0.001 0.000 0.247 280 V C 1.864 177.861 176.094 -0.161 0.000 1.051 280 V CA 1.934 64.212 62.300 -0.037 0.000 1.036 280 V CB -0.756 31.104 31.823 0.061 0.000 0.654 280 V HN 0.420 nan 8.190 nan 0.000 0.451 281 D N -1.241 119.085 120.400 -0.122 0.000 2.123 281 D HA -0.195 4.445 4.640 0.001 0.000 0.196 281 D C 2.073 178.286 176.300 -0.145 0.000 0.992 281 D CA 1.444 55.348 54.000 -0.160 0.000 0.833 281 D CB -0.367 40.408 40.800 -0.041 0.000 0.954 281 D HN 0.526 nan 8.370 nan 0.000 0.455 282 H N 0.973 119.966 119.070 -0.129 0.000 2.290 282 H HA -0.082 4.475 4.556 0.001 0.000 0.298 282 H C 2.411 177.666 175.328 -0.121 0.000 1.087 282 H CA 1.102 57.092 56.048 -0.097 0.000 1.291 282 H CB -0.346 29.378 29.762 -0.062 0.000 1.369 282 H HN 0.131 nan 8.280 nan 0.000 0.492 283 I N 0.888 121.489 120.570 0.051 0.000 2.118 283 I HA -0.340 3.831 4.170 0.001 0.000 0.241 283 I C 3.055 179.076 176.117 -0.161 0.000 1.070 283 I CA 1.369 62.658 61.300 -0.019 0.000 1.327 283 I CB -0.558 37.413 38.000 -0.048 0.000 1.034 283 I HN 0.289 nan 8.210 nan 0.000 0.405 284 A N 0.186 122.807 122.820 -0.331 0.000 1.873 284 A HA -0.323 3.998 4.320 0.001 0.000 0.218 284 A C 2.216 179.664 177.584 -0.226 0.000 1.193 284 A CA 2.052 53.840 52.037 -0.416 0.000 0.629 284 A CB -0.892 17.463 19.000 -1.076 0.000 0.826 284 A HN 0.538 nan 8.150 nan 0.000 0.447 285 Q N -0.728 118.938 119.800 -0.223 0.000 2.248 285 Q HA -0.169 4.172 4.340 0.001 0.000 0.208 285 Q C 2.080 177.991 176.000 -0.148 0.000 0.984 285 Q CA 1.911 57.615 55.803 -0.164 0.000 0.875 285 Q CB -0.568 28.047 28.738 -0.205 0.000 0.910 285 Q HN 0.923 nan 8.270 nan 0.000 0.433 286 T N -3.836 110.622 114.554 -0.159 0.000 3.085 286 T HA 0.147 4.497 4.350 0.001 0.000 0.263 286 T C 1.414 176.082 174.700 -0.053 0.000 1.127 286 T CA 0.672 62.712 62.100 -0.100 0.000 1.103 286 T CB 0.251 69.080 68.868 -0.065 0.000 0.921 286 T HN 0.470 nan 8.240 nan 0.000 0.510 287 G N 0.948 109.716 108.800 -0.053 0.000 2.175 287 G HA2 -0.023 3.938 3.960 0.001 0.000 0.244 287 G HA3 -0.023 3.938 3.960 0.001 0.000 0.244 287 G C 0.276 175.169 174.900 -0.012 0.000 0.982 287 G CA -0.126 44.960 45.100 -0.022 0.000 0.641 287 G HN 1.219 nan 8.290 nan 0.000 0.527 288 A N 0.431 123.236 122.820 -0.026 0.000 2.492 288 A HA 0.554 4.874 4.320 0.001 0.000 0.254 288 A C 1.044 178.612 177.584 -0.027 0.000 1.091 288 A CA 0.977 53.004 52.037 -0.016 0.000 0.768 288 A CB 0.092 19.081 19.000 -0.019 0.000 1.028 288 A HN 1.112 nan 8.150 nan 0.000 0.498 289 N N 0.789 119.480 118.700 -0.015 0.000 2.184 289 N HA 0.251 4.992 4.740 0.001 0.000 0.206 289 N C -0.732 174.749 175.510 -0.049 0.000 1.151 289 N CA -0.002 53.036 53.050 -0.020 0.000 0.878 289 N CB 0.688 39.175 38.487 -0.000 0.000 1.014 289 N HN 0.228 nan 8.380 nan 0.000 0.512 290 V N 0.594 120.468 119.914 -0.067 0.000 2.668 290 V HA 0.504 4.625 4.120 0.001 0.000 0.304 290 V C -1.139 174.855 176.094 -0.166 0.000 1.071 290 V CA -0.863 61.350 62.300 -0.145 0.000 0.894 290 V CB 2.318 34.065 31.823 -0.127 0.000 1.008 290 V HN -0.080 nan 8.190 nan 0.000 0.425 291 V N 4.840 124.591 119.914 -0.272 0.000 2.577 291 V HA 0.582 4.703 4.120 0.001 0.000 0.303 291 V C -1.065 174.835 176.094 -0.324 0.000 1.042 291 V CA -0.583 61.604 62.300 -0.190 0.000 0.872 291 V CB 1.941 33.709 31.823 -0.092 0.000 0.998 291 V HN 0.684 nan 8.190 nan 0.000 0.423 292 F N 3.148 123.102 119.950 0.007 0.000 2.426 292 F HA 0.686 5.214 4.527 0.001 0.000 0.348 292 F C 0.014 175.818 175.800 0.006 0.000 1.124 292 F CA -0.792 57.211 58.000 0.006 0.000 1.008 292 F CB 2.063 41.063 39.000 -0.000 0.000 1.139 292 F HN 0.200 nan 8.300 nan 0.000 0.452 293 V N 4.031 124.046 119.914 0.167 0.000 2.459 293 V HA 0.195 4.316 4.120 0.001 0.000 0.295 293 V C 0.662 176.813 176.094 0.094 0.000 1.029 293 V CA -0.542 61.819 62.300 0.102 0.000 0.874 293 V CB 1.676 33.535 31.823 0.060 0.000 0.985 293 V HN 0.884 nan 8.190 nan 0.000 0.438 294 Q N 3.294 123.134 119.800 0.066 0.000 2.046 294 Q HA -0.065 4.275 4.340 0.001 0.000 0.200 294 Q C 1.102 177.125 176.000 0.039 0.000 0.975 294 Q CA 1.276 57.107 55.803 0.046 0.000 0.836 294 Q CB 0.258 29.014 28.738 0.029 0.000 0.896 294 Q HN 0.605 nan 8.270 nan 0.000 0.428 295 K N -0.242 120.178 120.400 0.034 0.000 2.761 295 K HA 0.315 4.636 4.320 0.001 0.000 0.286 295 K C 0.391 177.012 176.600 0.034 0.000 1.019 295 K CA 0.189 56.493 56.287 0.029 0.000 1.070 295 K CB -0.548 31.966 32.500 0.022 0.000 1.387 295 K HN 0.238 nan 8.250 nan 0.000 0.509 296 G N -0.059 108.759 108.800 0.030 0.000 2.563 296 G HA2 0.559 4.520 3.960 0.001 0.000 0.283 296 G HA3 0.559 4.520 3.960 0.001 0.000 0.283 296 G C -0.534 174.387 174.900 0.035 0.000 1.309 296 G CA -0.575 44.545 45.100 0.033 0.000 1.022 296 G HN 0.341 nan 8.290 nan 0.000 0.501 297 I N 0.380 120.973 120.570 0.039 0.000 2.534 297 I HA 0.178 4.349 4.170 0.001 0.000 0.286 297 I C -1.117 175.031 176.117 0.050 0.000 1.094 297 I CA -0.824 60.503 61.300 0.045 0.000 1.055 297 I CB 2.128 40.157 38.000 0.047 0.000 1.225 297 I HN 0.260 nan 8.210 nan 0.000 0.435 298 D N 4.467 124.899 120.400 0.053 0.000 2.378 298 D HA -0.008 4.633 4.640 0.001 0.000 0.238 298 D C 0.921 177.258 176.300 0.063 0.000 1.180 298 D CA 0.128 54.159 54.000 0.052 0.000 0.895 298 D CB 1.011 41.843 40.800 0.054 0.000 1.192 298 D HN 0.449 nan 8.370 nan 0.000 0.438 299 D N 0.335 120.766 120.400 0.052 0.000 2.123 299 D HA -0.157 4.484 4.640 0.001 0.000 0.196 299 D C 1.992 178.327 176.300 0.059 0.000 0.992 299 D CA 0.674 54.709 54.000 0.060 0.000 0.833 299 D CB -0.020 40.798 40.800 0.029 0.000 0.954 299 D HN 0.185 nan 8.370 nan 0.000 0.455 300 L N 1.154 122.399 121.223 0.037 0.000 2.042 300 L HA -0.118 4.223 4.340 0.001 0.000 0.210 300 L C 2.206 179.127 176.870 0.086 0.000 1.076 300 L CA 1.796 56.646 54.840 0.018 0.000 0.749 300 L CB -0.814 41.287 42.059 0.069 0.000 0.893 300 L HN -0.030 nan 8.230 nan 0.000 0.432 301 A N -1.391 121.510 122.820 0.135 0.000 1.972 301 A HA -0.257 4.064 4.320 0.001 0.000 0.219 301 A C 2.194 179.851 177.584 0.121 0.000 1.169 301 A CA 1.795 53.931 52.037 0.165 0.000 0.635 301 A CB -0.520 18.549 19.000 0.114 0.000 0.810 301 A HN 0.663 nan 8.150 nan 0.000 0.446 302 Q N -1.634 118.222 119.800 0.093 0.000 2.119 302 Q HA -0.162 4.179 4.340 0.001 0.000 0.201 302 Q C 2.103 178.067 176.000 -0.061 0.000 0.972 302 Q CA 1.251 57.096 55.803 0.070 0.000 0.847 302 Q CB -0.294 28.555 28.738 0.184 0.000 0.903 302 Q HN 0.895 nan 8.270 nan 0.000 0.433 303 H N -0.546 118.426 119.070 -0.165 0.000 2.293 303 H HA -0.166 4.391 4.556 0.001 0.000 0.300 303 H C 1.474 176.639 175.328 -0.273 0.000 1.082 303 H CA 1.633 57.489 56.048 -0.320 0.000 1.308 303 H CB 0.150 29.689 29.762 -0.372 0.000 1.375 303 H HN 0.280 nan 8.280 nan 0.000 0.495 304 Y N -0.025 120.270 120.300 -0.008 0.000 2.293 304 Y HA -0.151 4.399 4.550 0.001 0.000 0.291 304 Y C 2.541 178.502 175.900 0.103 0.000 1.137 304 Y CA 0.292 58.409 58.100 0.029 0.000 1.202 304 Y CB -0.364 38.188 38.460 0.153 0.000 0.990 304 Y HN 0.191 nan 8.280 nan 0.000 0.537 305 L N -0.346 120.970 121.223 0.156 0.000 2.046 305 L HA -0.167 4.174 4.340 0.001 0.000 0.208 305 L C 2.434 179.312 176.870 0.014 0.000 1.077 305 L CA 1.878 56.766 54.840 0.080 0.000 0.747 305 L CB -1.460 40.608 42.059 0.016 0.000 0.896 305 L HN 0.193 nan 8.230 nan 0.000 0.432 306 A N -1.048 121.681 122.820 -0.151 0.000 1.873 306 A HA -0.205 4.116 4.320 0.001 0.000 0.215 306 A C 2.309 179.800 177.584 -0.154 0.000 1.186 306 A CA 1.472 53.376 52.037 -0.223 0.000 0.616 306 A CB -0.410 18.262 19.000 -0.546 0.000 0.823 306 A HN 0.355 nan 8.150 nan 0.000 0.442 307 K N -1.535 118.735 120.400 -0.217 0.000 2.160 307 K HA -0.191 4.129 4.320 0.001 0.000 0.206 307 K C 1.492 178.013 176.600 -0.132 0.000 1.047 307 K CA 1.815 57.981 56.287 -0.203 0.000 0.930 307 K CB -0.338 32.012 32.500 -0.251 0.000 0.720 307 K HN 0.664 nan 8.250 nan 0.000 0.450 308 Y N -0.073 120.187 120.300 -0.066 0.000 2.529 308 Y HA 0.014 4.565 4.550 0.001 0.000 0.290 308 Y C 1.395 177.268 175.900 -0.045 0.000 1.177 308 Y CA 0.623 58.700 58.100 -0.040 0.000 1.305 308 Y CB 0.533 38.979 38.460 -0.023 0.000 1.047 308 Y HN 0.268 nan 8.280 nan 0.000 0.522 309 G N 1.078 109.918 108.800 0.066 0.000 2.176 309 G HA2 -0.309 3.651 3.960 0.001 0.000 0.252 309 G HA3 -0.309 3.651 3.960 0.001 0.000 0.252 309 G C -0.048 174.869 174.900 0.028 0.000 1.024 309 G CA 0.107 45.224 45.100 0.028 0.000 0.755 309 G HN 0.328 nan 8.290 nan 0.000 0.507 310 I N 0.624 121.213 120.570 0.032 0.000 2.331 310 I HA 0.380 4.550 4.170 0.001 0.000 0.292 310 I C 0.871 176.965 176.117 -0.039 0.000 0.998 310 I CA -0.654 60.642 61.300 -0.007 0.000 1.267 310 I CB 1.554 39.543 38.000 -0.018 0.000 1.386 310 I HN 0.253 nan 8.210 nan 0.000 0.476 311 M N 6.833 126.394 119.600 -0.064 0.000 2.162 311 M HA 0.550 5.031 4.480 0.001 0.000 0.356 311 M C -0.613 175.591 176.300 -0.160 0.000 1.303 311 M CA -0.010 55.235 55.300 -0.092 0.000 1.116 311 M CB 0.580 33.119 32.600 -0.101 0.000 1.632 311 M HN 0.729 nan 8.290 nan 0.000 0.469 312 A N 4.916 127.657 122.820 -0.131 0.000 2.401 312 A HA 0.842 5.162 4.320 0.001 0.000 0.310 312 A C -1.505 176.000 177.584 -0.132 0.000 1.075 312 A CA -0.661 51.280 52.037 -0.159 0.000 0.746 312 A CB 1.865 20.820 19.000 -0.074 0.000 1.277 312 A HN 0.640 nan 8.150 nan 0.000 0.425 313 V N 2.203 122.027 119.914 -0.150 0.000 2.686 313 V HA 0.602 4.723 4.120 0.001 0.000 0.306 313 V C -0.012 176.114 176.094 0.054 0.000 1.065 313 V CA -0.719 61.568 62.300 -0.022 0.000 0.894 313 V CB 1.768 33.617 31.823 0.044 0.000 1.004 313 V HN 1.157 nan 8.190 nan 0.000 0.424 314 R N 2.674 123.212 120.500 0.065 0.000 2.875 314 R HA 0.830 5.171 4.340 0.001 0.000 0.251 314 R C -0.141 176.202 176.300 0.072 0.000 1.123 314 R CA -0.961 55.179 56.100 0.066 0.000 1.064 314 R CB 0.583 30.912 30.300 0.048 0.000 1.205 314 R HN 0.326 nan 8.270 nan 0.000 0.503 315 R N -0.754 119.781 120.500 0.058 0.000 3.502 315 R HA -0.115 4.225 4.340 0.001 0.000 0.266 315 R C -0.863 175.467 176.300 0.049 0.000 1.077 315 R CA 0.691 56.818 56.100 0.046 0.000 0.718 315 R CB -2.352 27.969 30.300 0.036 0.000 1.120 315 R HN 0.453 nan 8.270 nan 0.000 0.457 316 V N 1.079 121.033 119.914 0.067 0.000 2.555 316 V HA 0.067 4.188 4.120 0.001 0.000 0.286 316 V C 1.267 177.370 176.094 0.015 0.000 1.044 316 V CA -0.351 61.982 62.300 0.054 0.000 1.026 316 V CB 1.228 33.103 31.823 0.088 0.000 0.981 316 V HN 0.196 nan 8.190 nan 0.000 0.480 317 K N 3.533 123.929 120.400 -0.006 0.000 2.489 317 K HA -0.016 4.304 4.320 0.001 0.000 0.278 317 K C 1.313 177.898 176.600 -0.026 0.000 1.000 317 K CA 0.032 56.309 56.287 -0.016 0.000 1.012 317 K CB 0.593 33.077 32.500 -0.025 0.000 0.903 317 K HN 0.610 nan 8.250 nan 0.000 0.485 318 K N 1.877 122.267 120.400 -0.018 0.000 2.074 318 K HA -0.219 4.101 4.320 0.001 0.000 0.209 318 K C 1.823 178.403 176.600 -0.035 0.000 1.048 318 K CA 2.222 58.496 56.287 -0.020 0.000 0.926 318 K CB -0.041 32.452 32.500 -0.013 0.000 0.713 318 K HN 0.679 nan 8.250 nan 0.000 0.444 319 S N 0.305 115.983 115.700 -0.037 0.000 2.419 319 S HA -0.137 4.334 4.470 0.001 0.000 0.233 319 S C 1.433 175.990 174.600 -0.072 0.000 1.016 319 S CA 1.333 59.504 58.200 -0.047 0.000 0.974 319 S CB -0.169 63.007 63.200 -0.040 0.000 0.786 319 S HN 0.311 nan 8.310 nan 0.000 0.492 320 D N 1.281 121.630 120.400 -0.085 0.000 2.137 320 D HA 0.082 4.723 4.640 0.001 0.000 0.202 320 D C 2.046 178.251 176.300 -0.159 0.000 0.970 320 D CA 0.862 54.782 54.000 -0.132 0.000 0.837 320 D CB -0.240 40.474 40.800 -0.142 0.000 0.981 320 D HN 0.270 nan 8.370 nan 0.000 0.475 321 M N 0.745 120.274 119.600 -0.118 0.000 2.106 321 M HA -0.141 4.340 4.480 0.001 0.000 0.259 321 M C 1.956 178.202 176.300 -0.089 0.000 1.068 321 M CA 1.330 56.568 55.300 -0.104 0.000 1.100 321 M CB -0.963 31.611 32.600 -0.043 0.000 1.351 321 M HN 0.113 nan 8.290 nan 0.000 0.404 322 E N -0.001 120.156 120.200 -0.071 0.000 2.110 322 E HA -0.178 4.172 4.350 0.001 0.000 0.193 322 E C 2.086 178.644 176.600 -0.070 0.000 0.988 322 E CA 1.066 57.432 56.400 -0.057 0.000 0.804 322 E CB -0.013 29.660 29.700 -0.045 0.000 0.745 322 E HN 0.523 nan 8.360 nan 0.000 0.458 323 K N 0.452 120.795 120.400 -0.095 0.000 2.057 323 K HA -0.077 4.243 4.320 0.001 0.000 0.206 323 K C 2.232 178.762 176.600 -0.116 0.000 1.050 323 K CA 0.694 56.919 56.287 -0.104 0.000 0.935 323 K CB -0.072 32.352 32.500 -0.125 0.000 0.715 323 K HN 0.090 nan 8.250 nan 0.000 0.439 324 L N 0.753 121.881 121.223 -0.159 0.000 2.012 324 L HA -0.241 4.100 4.340 0.001 0.000 0.210 324 L C 2.621 179.438 176.870 -0.088 0.000 1.073 324 L CA 1.337 56.070 54.840 -0.179 0.000 0.748 324 L CB -0.608 41.270 42.059 -0.302 0.000 0.891 324 L HN 0.225 nan 8.230 nan 0.000 0.431 325 A N 0.083 122.864 122.820 -0.064 0.000 1.877 325 A HA -0.226 4.094 4.320 0.001 0.000 0.216 325 A C 2.292 179.865 177.584 -0.018 0.000 1.186 325 A CA 1.779 53.801 52.037 -0.025 0.000 0.620 325 A CB -0.387 18.601 19.000 -0.019 0.000 0.822 325 A HN 0.343 nan 8.150 nan 0.000 0.443 326 K N -0.472 119.910 120.400 -0.030 0.000 2.211 326 K HA 0.011 4.331 4.320 0.001 0.000 0.203 326 K C 2.152 178.742 176.600 -0.018 0.000 1.050 326 K CA 0.989 57.263 56.287 -0.022 0.000 0.945 326 K CB -0.204 32.277 32.500 -0.031 0.000 0.732 326 K HN 0.469 nan 8.250 nan 0.000 0.451 327 A N 1.199 124.000 122.820 -0.030 0.000 1.871 327 A HA -0.084 4.236 4.320 0.001 0.000 0.211 327 A C 2.287 179.875 177.584 0.006 0.000 1.207 327 A CA 1.566 53.590 52.037 -0.021 0.000 0.620 327 A CB -0.713 18.258 19.000 -0.048 0.000 0.860 327 A HN 0.375 nan 8.150 nan 0.000 0.450 328 T N -4.307 110.249 114.554 0.004 0.000 3.043 328 T HA 0.351 4.702 4.350 0.001 0.000 0.263 328 T C 1.519 176.262 174.700 0.071 0.000 1.094 328 T CA 1.368 63.492 62.100 0.039 0.000 1.127 328 T CB 0.003 68.891 68.868 0.032 0.000 0.905 328 T HN 1.736 nan 8.240 nan 0.000 0.490 329 G N 1.198 110.025 108.800 0.045 0.000 2.175 329 G HA2 -0.031 3.930 3.960 0.001 0.000 0.244 329 G HA3 -0.031 3.930 3.960 0.001 0.000 0.244 329 G C 0.380 175.307 174.900 0.046 0.000 0.982 329 G CA 0.012 45.141 45.100 0.048 0.000 0.641 329 G HN 1.155 nan 8.290 nan 0.000 0.527 330 A N -0.149 122.700 122.820 0.048 0.000 2.366 330 A HA 0.631 4.952 4.320 0.001 0.000 0.250 330 A C 0.528 178.132 177.584 0.033 0.000 1.099 330 A CA 0.590 52.656 52.037 0.049 0.000 0.794 330 A CB 0.358 19.395 19.000 0.063 0.000 1.056 330 A HN 0.424 nan 8.150 nan 0.000 0.499 331 K N 0.826 121.246 120.400 0.034 0.000 2.358 331 K HA 0.433 4.753 4.320 0.001 0.000 0.260 331 K C -1.166 175.450 176.600 0.027 0.000 0.956 331 K CA -0.199 56.103 56.287 0.025 0.000 0.834 331 K CB 1.677 34.191 32.500 0.023 0.000 1.102 331 K HN 0.599 nan 8.250 nan 0.000 0.431 332 I N 3.083 123.665 120.570 0.019 0.000 2.598 332 I HA -0.013 4.158 4.170 0.001 0.000 0.284 332 I C 0.018 176.145 176.117 0.018 0.000 1.140 332 I CA -0.185 61.127 61.300 0.020 0.000 1.420 332 I CB 0.399 38.406 38.000 0.011 0.000 1.387 332 I HN 0.158 nan 8.210 nan 0.000 0.553 333 V N 6.273 126.200 119.914 0.021 0.000 2.513 333 V HA 0.167 4.288 4.120 0.001 0.000 0.299 333 V C 0.826 176.924 176.094 0.007 0.000 1.035 333 V CA -0.311 61.997 62.300 0.013 0.000 0.889 333 V CB 1.676 33.508 31.823 0.016 0.000 0.988 333 V HN 0.872 nan 8.190 nan 0.000 0.440 334 T N 2.934 117.488 114.554 0.000 0.000 2.698 334 T HA -0.010 4.341 4.350 0.001 0.000 0.260 334 T C 0.694 175.388 174.700 -0.011 0.000 1.044 334 T CA 1.195 63.294 62.100 -0.003 0.000 1.149 334 T CB -0.096 68.769 68.868 -0.004 0.000 0.864 334 T HN 0.665 nan 8.240 nan 0.000 0.419 335 N N 0.899 119.585 118.700 -0.023 0.000 2.400 335 N HA 0.314 5.054 4.740 0.001 0.000 0.288 335 N C 0.837 176.303 175.510 -0.074 0.000 1.024 335 N CA -0.471 52.554 53.050 -0.043 0.000 0.894 335 N CB 2.428 40.887 38.487 -0.046 0.000 1.173 335 N HN -0.134 nan 8.380 nan 0.000 0.487 336 V N 3.509 123.369 119.914 -0.091 0.000 2.278 336 V HA -0.374 3.746 4.120 0.001 0.000 0.251 336 V C 2.390 178.275 176.094 -0.350 0.000 1.062 336 V CA 1.887 64.100 62.300 -0.146 0.000 1.038 336 V CB -0.744 31.002 31.823 -0.129 0.000 0.646 336 V HN 0.815 nan 8.190 nan 0.000 0.447 337 K N 0.315 120.498 120.400 -0.362 0.000 2.228 337 K HA -0.262 4.059 4.320 0.001 0.000 0.205 337 K C 1.204 177.619 176.600 -0.309 0.000 1.045 337 K CA 2.215 58.227 56.287 -0.457 0.000 0.931 337 K CB -0.453 31.924 32.500 -0.204 0.000 0.727 337 K HN 0.470 nan 8.250 nan 0.000 0.458 338 D N 0.639 120.946 120.400 -0.155 0.000 2.339 338 D HA 0.033 4.674 4.640 0.001 0.000 0.217 338 D C 0.124 176.444 176.300 0.034 0.000 1.050 338 D CA -0.099 53.880 54.000 -0.035 0.000 0.856 338 D CB 0.075 40.862 40.800 -0.021 0.000 0.922 338 D HN 0.113 nan 8.370 nan 0.000 0.518 339 L N 2.132 123.390 121.223 0.059 0.000 2.462 339 L HA 0.132 4.473 4.340 0.001 0.000 0.272 339 L C 0.417 177.415 176.870 0.213 0.000 1.166 339 L CA 0.610 55.537 54.840 0.146 0.000 0.880 339 L CB 0.522 42.674 42.059 0.157 0.000 1.142 339 L HN -0.043 nan 8.230 nan 0.000 0.473 340 T N 1.551 116.164 114.554 0.100 0.000 2.901 340 T HA 0.540 4.890 4.350 0.001 0.000 0.293 340 T C -2.189 172.528 174.700 0.029 0.000 1.084 340 T CA -1.660 60.472 62.100 0.054 0.000 1.008 340 T CB 1.594 70.488 68.868 0.042 0.000 1.170 340 T HN 0.311 nan 8.240 nan 0.000 0.509 341 P HA -0.052 nan 4.420 nan 0.000 0.218 341 P C 1.045 178.357 177.300 0.019 0.000 1.148 341 P CA 0.974 64.079 63.100 0.008 0.000 0.822 341 P CB 0.051 31.749 31.700 -0.004 0.000 0.784 342 E N -0.761 119.450 120.200 0.019 0.000 2.265 342 E HA -0.146 4.205 4.350 0.001 0.000 0.196 342 E C 1.426 178.042 176.600 0.028 0.000 0.996 342 E CA 0.980 57.392 56.400 0.020 0.000 0.832 342 E CB -0.863 28.847 29.700 0.017 0.000 0.756 342 E HN 0.336 nan 8.360 nan 0.000 0.491 343 D N -0.336 120.083 120.400 0.033 0.000 2.289 343 D HA -0.004 4.636 4.640 0.001 0.000 0.207 343 D C 0.467 176.795 176.300 0.047 0.000 0.966 343 D CA 0.184 54.206 54.000 0.038 0.000 0.868 343 D CB 0.135 40.960 40.800 0.042 0.000 0.943 343 D HN 0.195 nan 8.370 nan 0.000 0.514 344 L N 0.848 122.100 121.223 0.049 0.000 2.461 344 L HA 0.270 4.610 4.340 0.001 0.000 0.272 344 L C 1.323 178.240 176.870 0.078 0.000 1.197 344 L CA -0.196 54.681 54.840 0.062 0.000 0.836 344 L CB 0.601 42.695 42.059 0.058 0.000 1.105 344 L HN -0.081 nan 8.230 nan 0.000 0.477 345 G N 0.775 109.631 108.800 0.094 0.000 2.552 345 G HA2 0.432 4.393 3.960 0.001 0.000 0.318 345 G HA3 0.432 4.393 3.960 0.001 0.000 0.318 345 G C -1.942 173.060 174.900 0.169 0.000 1.240 345 G CA -0.260 44.909 45.100 0.114 0.000 1.002 345 G HN 0.481 nan 8.290 nan 0.000 0.493 346 Y N -0.587 119.735 120.300 0.038 0.000 2.499 346 Y HA 0.671 5.221 4.550 0.001 0.000 0.347 346 Y C -0.412 175.514 175.900 0.044 0.000 0.987 346 Y CA -0.940 57.183 58.100 0.038 0.000 1.044 346 Y CB 2.210 40.686 38.460 0.027 0.000 1.245 346 Y HN 0.850 nan 8.280 nan 0.000 0.461 347 A N 4.624 126.805 122.820 -1.066 0.000 2.491 347 A HA 0.325 4.645 4.320 0.001 0.000 0.293 347 A C 0.137 177.168 177.584 -0.922 0.000 1.047 347 A CA -0.385 51.207 52.037 -0.742 0.000 0.735 347 A CB 1.261 20.104 19.000 -0.261 0.000 1.281 347 A HN 0.962 nan 8.150 nan 0.000 0.398 348 E N 0.883 120.724 120.200 -0.598 0.000 2.160 348 E HA 0.017 4.367 4.350 0.001 0.000 0.195 348 E C -0.107 176.417 176.600 -0.126 0.000 0.991 348 E CA 1.648 57.909 56.400 -0.232 0.000 0.810 348 E CB 0.108 29.800 29.700 -0.014 0.000 0.742 348 E HN 0.548 nan 8.360 nan 0.000 0.466 349 V N 0.153 119.999 119.914 -0.113 0.000 2.924 349 V HA 0.256 4.377 4.120 0.001 0.000 0.300 349 V C -1.159 174.929 176.094 -0.011 0.000 1.227 349 V CA -0.931 61.343 62.300 -0.044 0.000 0.954 349 V CB 2.234 34.050 31.823 -0.011 0.000 1.055 349 V HN -0.195 nan 8.190 nan 0.000 0.429 350 V N 3.661 123.583 119.914 0.012 0.000 2.482 350 V HA 0.666 4.787 4.120 0.001 0.000 0.295 350 V C -0.503 175.630 176.094 0.065 0.000 1.026 350 V CA -0.275 62.066 62.300 0.068 0.000 0.856 350 V CB 1.716 33.578 31.823 0.065 0.000 1.001 350 V HN 0.999 nan 8.190 nan 0.000 0.424 351 E N 3.392 123.657 120.200 0.108 0.000 2.343 351 E HA 0.436 4.787 4.350 0.001 0.000 0.278 351 E C -1.149 175.525 176.600 0.123 0.000 0.910 351 E CA -0.693 55.749 56.400 0.070 0.000 0.757 351 E CB 2.358 32.059 29.700 0.002 0.000 1.218 351 E HN 0.704 nan 8.360 nan 0.000 0.435 352 E N 3.546 123.795 120.200 0.083 0.000 2.229 352 E HA 0.260 4.611 4.350 0.001 0.000 0.283 352 E C -0.879 175.756 176.600 0.059 0.000 1.030 352 E CA -0.224 56.242 56.400 0.109 0.000 0.836 352 E CB 0.760 30.502 29.700 0.071 0.000 1.068 352 E HN 0.342 nan 8.360 nan 0.000 0.401 353 R N 3.602 124.161 120.500 0.099 0.000 2.744 353 R HA 0.347 4.688 4.340 0.001 0.000 0.279 353 R C -0.789 175.561 176.300 0.084 0.000 0.977 353 R CA -0.932 55.161 56.100 -0.013 0.000 0.906 353 R CB 1.946 32.057 30.300 -0.315 0.000 1.197 353 R HN 0.320 nan 8.270 nan 0.000 0.463 354 K N 2.554 122.974 120.400 0.033 0.000 2.248 354 K HA 0.390 4.711 4.320 0.001 0.000 0.281 354 K C -0.745 175.891 176.600 0.061 0.000 1.054 354 K CA -0.243 56.076 56.287 0.054 0.000 0.903 354 K CB 0.843 33.359 32.500 0.027 0.000 1.077 354 K HN 0.312 nan 8.250 nan 0.000 0.474 355 L N 2.523 123.801 121.223 0.092 0.000 2.333 355 L HA 0.359 4.700 4.340 0.001 0.000 0.280 355 L C 0.448 177.350 176.870 0.054 0.000 1.004 355 L CA -0.572 54.319 54.840 0.086 0.000 0.820 355 L CB 1.724 43.864 42.059 0.134 0.000 1.247 355 L HN 0.941 nan 8.230 nan 0.000 0.416 356 A N 2.823 125.666 122.820 0.037 0.000 2.832 356 A HA -0.130 4.191 4.320 0.001 0.000 0.280 356 A C 1.395 178.993 177.584 0.023 0.000 1.464 356 A CA 1.239 53.291 52.037 0.025 0.000 0.804 356 A CB -1.907 17.106 19.000 0.023 0.000 1.020 356 A HN 1.683 nan 8.150 nan 0.000 0.563 357 G N -1.661 107.154 108.800 0.024 0.000 2.304 357 G HA2 -0.271 3.689 3.960 0.001 0.000 0.252 357 G HA3 -0.271 3.689 3.960 0.001 0.000 0.252 357 G C -0.115 174.800 174.900 0.025 0.000 1.014 357 G CA 1.095 46.207 45.100 0.020 0.000 0.619 357 G HN 2.023 nan 8.290 nan 0.000 0.525 358 E N 1.499 121.718 120.200 0.033 0.000 2.174 358 E HA 0.464 4.815 4.350 0.001 0.000 0.282 358 E C -0.404 176.230 176.600 0.056 0.000 0.992 358 E CA -1.056 55.367 56.400 0.037 0.000 0.803 358 E CB 1.041 30.759 29.700 0.030 0.000 1.090 358 E HN 0.239 nan 8.360 nan 0.000 0.396 359 N N 3.341 122.074 118.700 0.055 0.000 2.395 359 N HA 0.106 4.847 4.740 0.001 0.000 0.246 359 N C -0.090 175.479 175.510 0.098 0.000 1.246 359 N CA 0.725 53.821 53.050 0.076 0.000 0.879 359 N CB 0.572 39.095 38.487 0.060 0.000 1.098 359 N HN 0.534 nan 8.380 nan 0.000 0.444 360 M N 1.177 120.869 119.600 0.153 0.000 2.644 360 M HA 0.448 4.928 4.480 0.001 0.000 0.273 360 M C -0.993 175.451 176.300 0.240 0.000 1.253 360 M CA -0.662 54.732 55.300 0.158 0.000 0.852 360 M CB 1.913 34.603 32.600 0.151 0.000 1.708 360 M HN 0.186 nan 8.290 nan 0.000 0.471 361 I N 1.446 122.112 120.570 0.159 0.000 2.362 361 I HA 0.415 4.586 4.170 0.001 0.000 0.289 361 I C -1.401 174.810 176.117 0.156 0.000 0.994 361 I CA -0.318 61.121 61.300 0.233 0.000 1.158 361 I CB 1.213 39.356 38.000 0.239 0.000 1.315 361 I HN 0.376 nan 8.210 nan 0.000 0.451 362 F N 5.957 125.938 119.950 0.053 0.000 2.411 362 F HA 0.440 4.968 4.527 0.001 0.000 0.352 362 F C 0.043 175.863 175.800 0.034 0.000 1.123 362 F CA -0.858 57.159 58.000 0.028 0.000 1.044 362 F CB 1.541 40.549 39.000 0.013 0.000 1.135 362 F HN -0.009 nan 8.300 nan 0.000 0.461 363 V N 4.366 124.356 119.914 0.126 0.000 2.284 363 V HA 0.353 4.474 4.120 0.001 0.000 0.274 363 V C -0.337 175.783 176.094 0.043 0.000 1.023 363 V CA -0.663 61.683 62.300 0.077 0.000 0.808 363 V CB 0.497 32.336 31.823 0.026 0.000 1.035 363 V HN 0.794 nan 8.190 nan 0.000 0.445 364 E N 2.536 122.769 120.200 0.055 0.000 2.378 364 E HA 0.750 5.101 4.350 0.001 0.000 0.265 364 E C 0.667 177.266 176.600 -0.002 0.000 0.932 364 E CA -0.712 55.714 56.400 0.043 0.000 0.795 364 E CB 1.940 31.700 29.700 0.099 0.000 1.296 364 E HN 0.676 nan 8.360 nan 0.000 0.438 365 G N 0.049 108.858 108.800 0.016 0.000 2.160 365 G HA2 -0.297 3.664 3.960 0.001 0.000 0.251 365 G HA3 -0.297 3.664 3.960 0.001 0.000 0.251 365 G C 0.156 175.076 174.900 0.033 0.000 1.008 365 G CA 0.088 45.203 45.100 0.024 0.000 0.724 365 G HN 0.585 nan 8.290 nan 0.000 0.514 366 C N 0.474 119.787 119.300 0.021 0.000 2.689 366 C HA 0.372 4.833 4.460 0.001 0.000 0.409 366 C C 2.181 177.253 174.990 0.136 0.000 1.293 366 C CA 0.008 59.063 59.018 0.062 0.000 2.136 366 C CB 1.430 29.186 27.740 0.028 0.000 2.719 366 C HN 0.578 nan 8.230 nan 0.000 0.644 367 K N 1.911 122.444 120.400 0.221 0.000 1.969 367 K HA -0.149 4.171 4.320 0.001 0.000 0.223 367 K C 0.709 177.358 176.600 0.082 0.000 1.048 367 K CA 1.831 58.209 56.287 0.151 0.000 0.983 367 K CB -0.304 32.272 32.500 0.126 0.000 0.738 367 K HN 0.828 nan 8.250 nan 0.000 0.446 368 N N 0.896 119.635 118.700 0.064 0.000 2.765 368 N HA 0.205 4.945 4.740 0.001 0.000 0.277 368 N C -2.690 172.840 175.510 0.032 0.000 1.750 368 N CA -1.270 51.804 53.050 0.041 0.000 0.827 368 N CB 1.081 39.588 38.487 0.033 0.000 1.200 368 N HN 0.065 nan 8.380 nan 0.000 0.494 369 P HA -0.050 nan 4.420 nan 0.000 0.261 369 P C -0.197 177.103 177.300 0.000 0.000 1.173 369 P CA 0.111 63.216 63.100 0.009 0.000 0.760 369 P CB 0.931 32.630 31.700 -0.001 0.000 0.783 370 K N 0.886 121.283 120.400 -0.006 0.000 2.358 370 K HA 0.391 4.712 4.320 0.001 0.000 0.197 370 K C 0.674 177.257 176.600 -0.027 0.000 1.025 370 K CA -0.103 56.178 56.287 -0.009 0.000 1.104 370 K CB 0.480 32.978 32.500 -0.003 0.000 0.855 370 K HN 0.568 nan 8.250 nan 0.000 0.531 371 A N 0.107 122.902 122.820 -0.041 0.000 2.515 371 A HA 0.743 5.064 4.320 0.001 0.000 0.298 371 A C -1.114 176.423 177.584 -0.077 0.000 1.059 371 A CA -0.592 51.405 52.037 -0.067 0.000 0.698 371 A CB 1.862 20.817 19.000 -0.075 0.000 1.289 371 A HN -0.090 nan 8.150 nan 0.000 0.404 372 V N 0.123 119.974 119.914 -0.106 0.000 3.206 372 V HA 0.801 4.921 4.120 0.001 0.000 0.305 372 V C -0.681 175.319 176.094 -0.157 0.000 1.257 372 V CA -0.343 61.892 62.300 -0.109 0.000 1.057 372 V CB 2.906 34.676 31.823 -0.089 0.000 1.075 372 V HN 1.065 nan 8.190 nan 0.000 0.443 373 T N 3.379 117.849 114.554 -0.140 0.000 2.881 373 T HA 0.636 4.986 4.350 0.001 0.000 0.290 373 T C -0.809 173.821 174.700 -0.118 0.000 1.000 373 T CA -0.146 61.854 62.100 -0.166 0.000 0.978 373 T CB 1.308 70.082 68.868 -0.157 0.000 0.997 373 T HN 0.398 nan 8.240 nan 0.000 0.443 374 I N 3.278 123.776 120.570 -0.120 0.000 2.328 374 I HA 0.366 4.536 4.170 0.001 0.000 0.287 374 I C -0.241 175.915 176.117 0.066 0.000 1.012 374 I CA -0.716 60.592 61.300 0.013 0.000 1.195 374 I CB 1.336 39.414 38.000 0.130 0.000 1.350 374 I HN 0.376 nan 8.210 nan 0.000 0.464 375 L N 8.129 129.377 121.223 0.041 0.000 2.283 375 L HA 0.448 4.789 4.340 0.001 0.000 0.287 375 L C -0.695 176.208 176.870 0.056 0.000 1.073 375 L CA -0.511 54.351 54.840 0.036 0.000 0.822 375 L CB 0.362 42.442 42.059 0.035 0.000 1.186 375 L HN 0.457 nan 8.230 nan 0.000 0.436 376 I N 5.653 126.258 120.570 0.058 0.000 2.395 376 I HA 0.411 4.581 4.170 0.001 0.000 0.289 376 I C 0.293 176.418 176.117 0.013 0.000 1.023 376 I CA -0.052 61.267 61.300 0.032 0.000 1.350 376 I CB 0.855 38.869 38.000 0.023 0.000 1.409 376 I HN 0.528 nan 8.210 nan 0.000 0.507 377 R N 3.384 123.881 120.500 -0.005 0.000 2.919 377 R HA 0.942 5.283 4.340 0.001 0.000 0.260 377 R C -0.343 175.940 176.300 -0.030 0.000 1.067 377 R CA -1.193 54.901 56.100 -0.010 0.000 1.003 377 R CB 1.947 32.243 30.300 -0.008 0.000 1.192 377 R HN 0.856 nan 8.270 nan 0.000 0.488 378 G N -1.535 107.253 108.800 -0.022 0.000 2.361 378 G HA2 0.266 4.226 3.960 0.001 0.000 0.299 378 G HA3 0.266 4.226 3.960 0.001 0.000 0.299 378 G C 0.217 175.115 174.900 -0.003 0.000 1.544 378 G CA -0.270 44.818 45.100 -0.021 0.000 0.860 378 G HN 0.529 nan 8.290 nan 0.000 0.610 379 G N -0.973 107.831 108.800 0.006 0.000 2.559 379 G HA2 0.369 4.330 3.960 0.001 0.000 0.216 379 G HA3 0.369 4.330 3.960 0.001 0.000 0.216 379 G C 0.633 175.545 174.900 0.020 0.000 1.126 379 G CA 1.762 46.871 45.100 0.015 0.000 0.778 379 G HN 0.934 nan 8.290 nan 0.000 0.543 380 T N -1.636 112.931 114.554 0.022 0.000 2.853 380 T HA 0.341 4.691 4.350 0.001 0.000 0.311 380 T C 0.304 175.008 174.700 0.007 0.000 1.307 380 T CA -0.572 61.546 62.100 0.030 0.000 1.019 380 T CB 2.045 70.953 68.868 0.067 0.000 1.264 380 T HN -0.012 nan 8.240 nan 0.000 0.497 381 E N 0.156 120.338 120.200 -0.029 0.000 2.072 381 E HA -0.065 4.286 4.350 0.001 0.000 0.191 381 E C 1.503 178.022 176.600 -0.135 0.000 0.985 381 E CA 1.564 57.901 56.400 -0.106 0.000 0.801 381 E CB -0.080 29.511 29.700 -0.181 0.000 0.750 381 E HN 0.603 nan 8.360 nan 0.000 0.452 382 H N -0.953 118.113 119.070 -0.006 0.000 2.389 382 H HA -0.051 4.505 4.556 0.001 0.000 0.299 382 H C 1.959 177.280 175.328 -0.011 0.000 1.081 382 H CA 1.281 57.324 56.048 -0.008 0.000 1.345 382 H CB 0.054 29.813 29.762 -0.005 0.000 1.393 382 H HN -0.027 nan 8.280 nan 0.000 0.520 383 V N 0.571 120.547 119.914 0.104 0.000 2.295 383 V HA -0.244 3.876 4.120 0.001 0.000 0.246 383 V C 2.366 178.470 176.094 0.017 0.000 1.049 383 V CA 1.779 64.111 62.300 0.054 0.000 1.024 383 V CB -0.472 31.376 31.823 0.042 0.000 0.648 383 V HN 0.408 nan 8.190 nan 0.000 0.447 384 I N 0.205 120.774 120.570 -0.002 0.000 2.151 384 I HA -0.318 3.853 4.170 0.001 0.000 0.243 384 I C 2.331 178.425 176.117 -0.038 0.000 1.080 384 I CA 1.995 63.280 61.300 -0.024 0.000 1.339 384 I CB -0.355 37.627 38.000 -0.030 0.000 1.039 384 I HN 0.409 nan 8.210 nan 0.000 0.409 385 D N -0.054 120.323 120.400 -0.038 0.000 2.144 385 D HA -0.222 4.419 4.640 0.001 0.000 0.200 385 D C 2.006 178.279 176.300 -0.045 0.000 0.978 385 D CA 1.121 55.094 54.000 -0.046 0.000 0.833 385 D CB -0.227 40.550 40.800 -0.039 0.000 0.961 385 D HN 0.333 nan 8.370 nan 0.000 0.470 386 E N 0.767 120.957 120.200 -0.017 0.000 2.152 386 E HA -0.080 4.271 4.350 0.001 0.000 0.192 386 E C 2.008 178.578 176.600 -0.050 0.000 0.983 386 E CA 0.364 56.751 56.400 -0.021 0.000 0.818 386 E CB -0.118 29.587 29.700 0.008 0.000 0.758 386 E HN -0.015 nan 8.360 nan 0.000 0.467 387 V N 1.036 120.920 119.914 -0.050 0.000 2.407 387 V HA -0.215 3.905 4.120 0.001 0.000 0.248 387 V C 2.407 178.413 176.094 -0.147 0.000 1.055 387 V CA 2.144 64.404 62.300 -0.067 0.000 1.049 387 V CB -0.494 31.301 31.823 -0.047 0.000 0.662 387 V HN 0.397 nan 8.190 nan 0.000 0.455 388 E N 0.143 120.234 120.200 -0.181 0.000 2.047 388 E HA -0.230 4.121 4.350 0.001 0.000 0.191 388 E C 2.495 178.869 176.600 -0.376 0.000 0.987 388 E CA 1.161 57.352 56.400 -0.348 0.000 0.799 388 E CB -0.038 29.509 29.700 -0.254 0.000 0.752 388 E HN 0.496 nan 8.360 nan 0.000 0.449 389 R N -0.072 120.304 120.500 -0.207 0.000 2.091 389 R HA -0.141 4.199 4.340 0.001 0.000 0.238 389 R C 2.402 178.612 176.300 -0.150 0.000 1.136 389 R CA 1.262 57.268 56.100 -0.156 0.000 0.959 389 R CB -0.317 29.933 30.300 -0.083 0.000 0.856 389 R HN 0.175 nan 8.270 nan 0.000 0.437 390 A N 0.856 123.601 122.820 -0.126 0.000 1.933 390 A HA -0.114 4.207 4.320 0.001 0.000 0.218 390 A C 2.129 179.648 177.584 -0.109 0.000 1.175 390 A CA 1.070 53.055 52.037 -0.087 0.000 0.628 390 A CB -0.408 18.562 19.000 -0.050 0.000 0.814 390 A HN 0.201 nan 8.150 nan 0.000 0.444 391 L N -0.691 120.408 121.223 -0.206 0.000 2.141 391 L HA -0.172 4.168 4.340 0.001 0.000 0.209 391 L C 2.531 179.302 176.870 -0.164 0.000 1.094 391 L CA 1.316 56.035 54.840 -0.203 0.000 0.763 391 L CB -0.446 41.388 42.059 -0.374 0.000 0.908 391 L HN 0.485 nan 8.230 nan 0.000 0.437 392 E N -0.094 119.926 120.200 -0.301 0.000 2.077 392 E HA -0.212 4.139 4.350 0.001 0.000 0.193 392 E C 1.601 178.204 176.600 0.005 0.000 0.989 392 E CA 1.238 57.585 56.400 -0.089 0.000 0.800 392 E CB -0.036 29.594 29.700 -0.117 0.000 0.746 392 E HN 0.488 nan 8.360 nan 0.000 0.452 393 D N 0.693 121.076 120.400 -0.029 0.000 2.084 393 D HA -0.097 4.543 4.640 0.001 0.000 0.196 393 D C 1.993 178.303 176.300 0.015 0.000 0.985 393 D CA 1.274 55.272 54.000 -0.003 0.000 0.826 393 D CB -0.350 40.441 40.800 -0.014 0.000 0.978 393 D HN 0.130 nan 8.370 nan 0.000 0.456 394 A N 0.866 123.694 122.820 0.014 0.000 1.892 394 A HA -0.171 4.150 4.320 0.001 0.000 0.218 394 A C 2.462 180.075 177.584 0.049 0.000 1.188 394 A CA 1.489 53.544 52.037 0.030 0.000 0.631 394 A CB -0.962 18.056 19.000 0.031 0.000 0.822 394 A HN 0.185 nan 8.150 nan 0.000 0.447 395 V N -0.301 119.666 119.914 0.088 0.000 2.626 395 V HA -0.183 3.938 4.120 0.001 0.000 0.252 395 V C 2.436 178.568 176.094 0.064 0.000 1.067 395 V CA 2.498 64.858 62.300 0.100 0.000 1.081 395 V CB -0.430 31.514 31.823 0.202 0.000 0.686 395 V HN 0.692 nan 8.190 nan 0.000 0.468 396 K N -0.258 120.178 120.400 0.059 0.000 2.116 396 K HA -0.092 4.228 4.320 0.001 0.000 0.203 396 K C 1.945 178.560 176.600 0.024 0.000 1.052 396 K CA 1.611 57.923 56.287 0.040 0.000 0.952 396 K CB 0.047 32.569 32.500 0.038 0.000 0.729 396 K HN 0.513 nan 8.250 nan 0.000 0.446 397 V N -1.739 118.187 119.914 0.021 0.000 2.548 397 V HA -0.109 4.011 4.120 0.001 0.000 0.249 397 V C 2.035 178.134 176.094 0.008 0.000 1.055 397 V CA 1.126 63.434 62.300 0.014 0.000 1.065 397 V CB -0.424 31.406 31.823 0.013 0.000 0.681 397 V HN 0.006 nan 8.190 nan 0.000 0.462 398 V N 0.814 120.732 119.914 0.007 0.000 2.307 398 V HA -0.258 3.863 4.120 0.001 0.000 0.245 398 V C 2.700 178.783 176.094 -0.019 0.000 1.045 398 V CA 2.635 64.930 62.300 -0.008 0.000 1.024 398 V CB -0.791 31.028 31.823 -0.007 0.000 0.651 398 V HN 0.694 nan 8.190 nan 0.000 0.449 399 K N 0.085 120.481 120.400 -0.007 0.000 2.020 399 K HA -0.282 4.038 4.320 0.001 0.000 0.212 399 K C 1.877 178.476 176.600 -0.001 0.000 1.050 399 K CA 2.268 58.550 56.287 -0.008 0.000 0.929 399 K CB -0.404 32.101 32.500 0.009 0.000 0.714 399 K HN 0.439 nan 8.250 nan 0.000 0.443 400 D N 0.375 120.779 120.400 0.007 0.000 2.133 400 D HA -0.161 4.479 4.640 0.001 0.000 0.195 400 D C 1.953 178.259 176.300 0.009 0.000 0.997 400 D CA 1.450 55.457 54.000 0.011 0.000 0.840 400 D CB -0.166 40.642 40.800 0.012 0.000 0.947 400 D HN 0.131 nan 8.370 nan 0.000 0.452 401 V N 0.762 120.676 119.914 -0.000 0.000 2.667 401 V HA -0.138 3.983 4.120 0.001 0.000 0.252 401 V C 2.374 178.464 176.094 -0.008 0.000 1.065 401 V CA 0.948 63.247 62.300 -0.002 0.000 1.083 401 V CB -0.305 31.512 31.823 -0.008 0.000 0.692 401 V HN 0.209 nan 8.190 nan 0.000 0.468 402 M N -0.789 118.792 119.600 -0.031 0.000 2.349 402 M HA -0.052 4.429 4.480 0.001 0.000 0.266 402 M C 1.990 178.327 176.300 0.061 0.000 1.076 402 M CA 1.346 56.611 55.300 -0.059 0.000 1.126 402 M CB -0.145 32.335 32.600 -0.200 0.000 1.392 402 M HN 0.387 nan 8.290 nan 0.000 0.440 403 E N 0.210 120.443 120.200 0.055 0.000 2.250 403 E HA -0.039 4.312 4.350 0.001 0.000 0.192 403 E C -0.446 176.191 176.600 0.062 0.000 0.986 403 E CA 0.513 56.960 56.400 0.078 0.000 0.849 403 E CB 0.420 30.153 29.700 0.055 0.000 0.797 403 E HN 0.447 nan 8.360 nan 0.000 0.482 404 D N 0.375 120.802 120.400 0.044 0.000 2.421 404 D HA 0.145 4.786 4.640 0.001 0.000 0.254 404 D C -0.107 176.212 176.300 0.033 0.000 1.238 404 D CA -0.396 53.626 54.000 0.036 0.000 0.919 404 D CB 1.280 42.096 40.800 0.025 0.000 1.152 404 D HN 0.001 nan 8.370 nan 0.000 0.552 405 G N 1.067 109.891 108.800 0.040 0.000 3.180 405 G HA2 0.410 4.371 3.960 0.001 0.000 0.252 405 G HA3 0.410 4.371 3.960 0.001 0.000 0.252 405 G C 0.113 175.027 174.900 0.024 0.000 0.871 405 G CA -0.221 44.900 45.100 0.035 0.000 1.979 405 G HN 0.566 nan 8.290 nan 0.000 0.624 406 A N 0.035 122.866 122.820 0.019 0.000 2.455 406 A HA 0.812 5.132 4.320 0.001 0.000 0.300 406 A C -0.430 177.163 177.584 0.013 0.000 1.040 406 A CA -0.368 51.678 52.037 0.015 0.000 0.697 406 A CB 1.930 20.938 19.000 0.015 0.000 1.265 406 A HN 1.291 nan 8.150 nan 0.000 0.407 407 V N -0.114 119.808 119.914 0.013 0.000 3.167 407 V HA 0.934 5.054 4.120 0.001 0.000 0.310 407 V C -0.942 175.160 176.094 0.015 0.000 1.207 407 V CA -0.931 61.377 62.300 0.013 0.000 1.059 407 V CB 1.692 33.522 31.823 0.012 0.000 1.079 407 V HN 0.891 nan 8.190 nan 0.000 0.446 408 L N 1.157 122.390 121.223 0.016 0.000 2.415 408 L HA 0.664 5.004 4.340 0.001 0.000 0.256 408 L C -2.660 174.224 176.870 0.023 0.000 1.010 408 L CA -1.890 52.962 54.840 0.020 0.000 0.826 408 L CB 3.260 45.331 42.059 0.020 0.000 1.405 408 L HN 0.540 nan 8.230 nan 0.000 0.410 409 P HA 0.236 nan 4.420 nan 0.000 0.274 409 P C -0.895 176.422 177.300 0.029 0.000 1.246 409 P CA -0.162 62.958 63.100 0.032 0.000 0.795 409 P CB 1.704 33.430 31.700 0.044 0.000 1.006 410 A N 0.948 123.784 122.820 0.026 0.000 3.888 410 A HA 0.647 4.968 4.320 0.001 0.000 0.158 410 A C 1.352 178.945 177.584 0.015 0.000 1.485 410 A CA 0.147 52.194 52.037 0.016 0.000 1.261 410 A CB -1.015 17.994 19.000 0.014 0.000 1.670 410 A HN 0.655 nan 8.150 nan 0.000 0.661 411 G N -2.044 106.757 108.800 0.003 0.000 2.200 411 G HA2 0.149 4.110 3.960 0.001 0.000 0.267 411 G HA3 0.149 4.110 3.960 0.001 0.000 0.267 411 G C 1.712 176.604 174.900 -0.013 0.000 0.993 411 G CA 1.451 46.548 45.100 -0.005 0.000 0.701 411 G HN 2.582 nan 8.290 nan 0.000 0.524 412 G N -1.619 107.170 108.800 -0.018 0.000 2.159 412 G HA2 0.082 4.043 3.960 0.001 0.000 0.256 412 G HA3 0.082 4.043 3.960 0.001 0.000 0.256 412 G C 1.568 176.440 174.900 -0.045 0.000 0.977 412 G CA 1.267 46.346 45.100 -0.036 0.000 0.652 412 G HN 2.009 nan 8.290 nan 0.000 0.531 413 A N 0.963 123.781 122.820 -0.004 0.000 1.858 413 A HA 0.207 4.527 4.320 0.001 0.000 0.216 413 A C 0.647 178.226 177.584 -0.008 0.000 1.190 413 A CA 2.495 54.551 52.037 0.031 0.000 0.617 413 A CB -1.062 18.015 19.000 0.129 0.000 0.827 413 A HN 0.458 nan 8.150 nan 0.000 0.443 414 P HA -0.188 nan 4.420 nan 0.000 0.215 414 P C 1.204 178.488 177.300 -0.026 0.000 1.157 414 P CA 1.537 64.643 63.100 0.010 0.000 0.868 414 P CB -0.162 31.546 31.700 0.014 0.000 0.788 415 E N -0.409 119.765 120.200 -0.043 0.000 2.150 415 E HA -0.132 4.219 4.350 0.001 0.000 0.193 415 E C 1.943 178.490 176.600 -0.089 0.000 0.985 415 E CA 1.101 57.471 56.400 -0.051 0.000 0.814 415 E CB -1.167 28.499 29.700 -0.056 0.000 0.752 415 E HN 0.222 nan 8.360 nan 0.000 0.466 416 I N 1.596 122.066 120.570 -0.167 0.000 2.252 416 I HA -0.175 3.996 4.170 0.001 0.000 0.245 416 I C 2.489 178.432 176.117 -0.290 0.000 1.102 416 I CA 1.175 62.310 61.300 -0.275 0.000 1.385 416 I CB -0.939 36.772 38.000 -0.483 0.000 1.064 416 I HN 0.117 nan 8.210 nan 0.000 0.414 417 E N 1.485 121.527 120.200 -0.264 0.000 2.051 417 E HA -0.189 4.162 4.350 0.001 0.000 0.192 417 E C 2.292 178.892 176.600 0.001 0.000 0.991 417 E CA 1.398 57.778 56.400 -0.033 0.000 0.799 417 E CB -0.381 29.390 29.700 0.119 0.000 0.748 417 E HN 0.418 nan 8.360 nan 0.000 0.449 418 L N -0.140 121.081 121.223 -0.004 0.000 2.046 418 L HA -0.165 4.176 4.340 0.001 0.000 0.208 418 L C 2.519 179.411 176.870 0.036 0.000 1.077 418 L CA 1.162 56.016 54.840 0.024 0.000 0.747 418 L CB -0.632 41.452 42.059 0.041 0.000 0.896 418 L HN 0.222 nan 8.230 nan 0.000 0.432 419 A N 0.394 123.220 122.820 0.010 0.000 1.873 419 A HA -0.228 4.093 4.320 0.001 0.000 0.218 419 A C 2.189 179.790 177.584 0.029 0.000 1.193 419 A CA 1.753 53.802 52.037 0.020 0.000 0.629 419 A CB -0.614 18.374 19.000 -0.020 0.000 0.826 419 A HN 0.266 nan 8.150 nan 0.000 0.447 420 I N -0.282 120.295 120.570 0.012 0.000 2.127 420 I HA -0.221 3.950 4.170 0.001 0.000 0.241 420 I C 2.639 178.787 176.117 0.051 0.000 1.075 420 I CA 1.666 62.986 61.300 0.034 0.000 1.334 420 I CB -1.358 36.671 38.000 0.047 0.000 1.040 420 I HN 0.373 nan 8.210 nan 0.000 0.405 421 R N 0.241 120.771 120.500 0.051 0.000 2.092 421 R HA -0.079 4.262 4.340 0.001 0.000 0.231 421 R C 2.339 178.686 176.300 0.079 0.000 1.119 421 R CA 0.936 57.068 56.100 0.054 0.000 0.970 421 R CB -0.346 29.973 30.300 0.032 0.000 0.864 421 R HN 0.341 nan 8.270 nan 0.000 0.440 422 L N 0.454 121.727 121.223 0.083 0.000 2.141 422 L HA -0.170 4.171 4.340 0.001 0.000 0.209 422 L C 1.844 178.799 176.870 0.142 0.000 1.094 422 L CA 1.081 56.001 54.840 0.134 0.000 0.763 422 L CB -0.346 41.785 42.059 0.120 0.000 0.908 422 L HN 0.115 nan 8.230 nan 0.000 0.437 423 D N -0.302 120.157 120.400 0.098 0.000 2.144 423 D HA -0.182 4.459 4.640 0.001 0.000 0.199 423 D C 2.120 178.461 176.300 0.068 0.000 0.984 423 D CA 0.921 54.965 54.000 0.075 0.000 0.834 423 D CB 0.246 41.080 40.800 0.056 0.000 0.955 423 D HN 0.162 nan 8.370 nan 0.000 0.465 424 E N -0.782 119.468 120.200 0.084 0.000 2.158 424 E HA -0.136 4.215 4.350 0.001 0.000 0.191 424 E C 1.762 178.429 176.600 0.112 0.000 0.982 424 E CA 0.339 56.786 56.400 0.078 0.000 0.823 424 E CB -0.524 29.219 29.700 0.073 0.000 0.766 424 E HN 0.469 nan 8.360 nan 0.000 0.468 425 Y N 1.792 122.092 120.300 -0.000 0.000 2.224 425 Y HA -0.126 4.425 4.550 0.001 0.000 0.289 425 Y C 2.155 178.051 175.900 -0.007 0.000 1.146 425 Y CA 1.090 59.185 58.100 -0.009 0.000 1.182 425 Y CB -0.510 37.936 38.460 -0.023 0.000 0.983 425 Y HN -0.007 nan 8.280 nan 0.000 0.524 426 A N 0.527 123.297 122.820 -0.084 0.000 1.902 426 A HA -0.212 4.109 4.320 0.001 0.000 0.217 426 A C 2.282 179.787 177.584 -0.133 0.000 1.181 426 A CA 1.992 53.932 52.037 -0.162 0.000 0.623 426 A CB -0.564 18.411 19.000 -0.041 0.000 0.818 426 A HN 0.509 nan 8.150 nan 0.000 0.443 427 K N -0.419 119.946 120.400 -0.059 0.000 2.097 427 K HA -0.174 4.147 4.320 0.001 0.000 0.206 427 K C 2.240 178.808 176.600 -0.054 0.000 1.049 427 K CA 1.583 57.847 56.287 -0.039 0.000 0.933 427 K CB -0.206 32.291 32.500 -0.006 0.000 0.717 427 K HN 0.661 nan 8.250 nan 0.000 0.442 428 Q N 0.232 119.996 119.800 -0.061 0.000 2.167 428 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 428 Q C 2.099 178.036 176.000 -0.106 0.000 0.970 428 Q CA 1.142 56.916 55.803 -0.049 0.000 0.855 428 Q CB 0.053 28.802 28.738 0.019 0.000 0.911 428 Q HN 0.125 nan 8.270 nan 0.000 0.438 429 V N -0.054 119.729 119.914 -0.219 0.000 2.446 429 V HA 0.037 4.158 4.120 0.001 0.000 0.244 429 V C 1.246 177.260 176.094 -0.133 0.000 1.039 429 V CA 0.996 63.162 62.300 -0.224 0.000 1.045 429 V CB -0.983 30.602 31.823 -0.396 0.000 0.681 429 V HN 0.585 nan 8.190 nan 0.000 0.459 430 G N -0.335 108.396 108.800 -0.116 0.000 2.801 430 G HA2 0.262 4.223 3.960 0.001 0.000 0.244 430 G HA3 0.262 4.223 3.960 0.001 0.000 0.244 430 G C 0.560 175.424 174.900 -0.060 0.000 1.385 430 G CA -0.285 44.773 45.100 -0.070 0.000 0.894 430 G HN 1.800 nan 8.290 nan 0.000 0.562 431 G N -1.385 107.392 108.800 -0.040 0.000 2.642 431 G HA2 -0.083 3.877 3.960 0.001 0.000 0.231 431 G HA3 -0.083 3.877 3.960 0.001 0.000 0.231 431 G C 0.795 175.679 174.900 -0.026 0.000 1.338 431 G CA 0.875 45.956 45.100 -0.031 0.000 0.883 431 G HN 1.395 nan 8.290 nan 0.000 0.570 432 K N 0.460 120.847 120.400 -0.021 0.000 2.288 432 K HA 0.014 4.335 4.320 0.001 0.000 0.201 432 K C 2.306 178.897 176.600 -0.015 0.000 1.048 432 K CA 1.502 57.781 56.287 -0.013 0.000 0.956 432 K CB -0.032 32.463 32.500 -0.008 0.000 0.746 432 K HN 0.626 nan 8.250 nan 0.000 0.461 433 E N 0.910 121.094 120.200 -0.027 0.000 2.153 433 E HA -0.171 4.179 4.350 0.001 0.000 0.194 433 E C 1.999 178.579 176.600 -0.032 0.000 0.988 433 E CA 0.967 57.349 56.400 -0.030 0.000 0.811 433 E CB -0.087 29.583 29.700 -0.049 0.000 0.746 433 E HN 0.313 nan 8.360 nan 0.000 0.466 434 A N 0.982 123.773 122.820 -0.048 0.000 1.933 434 A HA -0.166 4.155 4.320 0.001 0.000 0.218 434 A C 2.051 179.637 177.584 0.002 0.000 1.175 434 A CA 0.978 52.985 52.037 -0.050 0.000 0.628 434 A CB -0.360 18.607 19.000 -0.055 0.000 0.814 434 A HN 0.108 nan 8.150 nan 0.000 0.444 435 L N -0.438 120.792 121.223 0.011 0.000 2.083 435 L HA -0.137 4.203 4.340 0.001 0.000 0.209 435 L C 2.922 179.838 176.870 0.076 0.000 1.083 435 L CA 1.860 56.721 54.840 0.034 0.000 0.752 435 L CB -1.165 40.906 42.059 0.019 0.000 0.899 435 L HN 0.418 nan 8.230 nan 0.000 0.433 436 A N -0.715 122.151 122.820 0.077 0.000 1.897 436 A HA -0.115 4.206 4.320 0.001 0.000 0.215 436 A C 2.300 180.073 177.584 0.315 0.000 1.181 436 A CA 1.410 53.543 52.037 0.161 0.000 0.620 436 A CB -0.579 18.460 19.000 0.065 0.000 0.821 436 A HN 0.360 nan 8.150 nan 0.000 0.443 437 I N -0.198 120.475 120.570 0.173 0.000 2.226 437 I HA -0.252 3.918 4.170 0.001 0.000 0.245 437 I C 2.423 178.644 176.117 0.173 0.000 1.100 437 I CA 1.507 62.891 61.300 0.141 0.000 1.374 437 I CB -0.456 37.546 38.000 0.003 0.000 1.057 437 I HN 0.419 nan 8.210 nan 0.000 0.413 438 E N 0.803 121.080 120.200 0.129 0.000 2.072 438 E HA -0.203 4.147 4.350 0.001 0.000 0.191 438 E C 1.828 178.517 176.600 0.148 0.000 0.985 438 E CA 1.226 57.696 56.400 0.115 0.000 0.801 438 E CB -0.194 29.549 29.700 0.073 0.000 0.750 438 E HN 0.451 nan 8.360 nan 0.000 0.452 439 N N 0.460 119.274 118.700 0.190 0.000 2.188 439 N HA -0.132 4.609 4.740 0.001 0.000 0.184 439 N C 1.414 177.043 175.510 0.197 0.000 1.018 439 N CA 0.704 53.871 53.050 0.195 0.000 0.858 439 N CB -0.298 38.331 38.487 0.238 0.000 0.989 439 N HN 0.138 nan 8.380 nan 0.000 0.426 440 F N 1.119 121.110 119.950 0.067 0.000 2.134 440 F HA -0.103 4.424 4.527 0.001 0.000 0.299 440 F C 2.113 177.847 175.800 -0.110 0.000 1.097 440 F CA 1.232 59.112 58.000 -0.199 0.000 1.264 440 F CB -0.121 38.705 39.000 -0.290 0.000 1.001 440 F HN 0.042 nan 8.300 nan 0.000 0.479 441 A N -0.234 122.776 122.820 0.317 0.000 1.902 441 A HA -0.267 4.054 4.320 0.001 0.000 0.217 441 A C 1.811 179.434 177.584 0.065 0.000 1.181 441 A CA 2.110 54.268 52.037 0.201 0.000 0.623 441 A CB -1.235 17.857 19.000 0.153 0.000 0.818 441 A HN 0.537 nan 8.150 nan 0.000 0.443 442 D N -0.553 119.876 120.400 0.048 0.000 2.178 442 D HA 0.019 4.660 4.640 0.001 0.000 0.202 442 D C 1.963 178.239 176.300 -0.040 0.000 0.974 442 D CA 1.272 55.276 54.000 0.007 0.000 0.841 442 D CB -0.131 40.683 40.800 0.022 0.000 0.953 442 D HN 0.354 nan 8.370 nan 0.000 0.478 443 A N 0.191 122.960 122.820 -0.085 0.000 1.933 443 A HA -0.101 4.219 4.320 0.001 0.000 0.218 443 A C 2.263 179.742 177.584 -0.174 0.000 1.175 443 A CA 0.864 52.807 52.037 -0.156 0.000 0.628 443 A CB -0.825 18.008 19.000 -0.280 0.000 0.814 443 A HN 0.376 nan 8.150 nan 0.000 0.444 444 L N -0.743 120.373 121.223 -0.177 0.000 2.261 444 L HA -0.204 4.137 4.340 0.001 0.000 0.216 444 L C 2.127 178.940 176.870 -0.095 0.000 1.114 444 L CA 1.426 56.183 54.840 -0.139 0.000 0.777 444 L CB -0.457 41.557 42.059 -0.075 0.000 0.910 444 L HN 0.388 nan 8.230 nan 0.000 0.440 445 K N 0.383 120.737 120.400 -0.077 0.000 2.515 445 K HA -0.093 4.227 4.320 0.001 0.000 0.196 445 K C 1.863 178.424 176.600 -0.065 0.000 1.038 445 K CA 0.786 57.034 56.287 -0.065 0.000 0.967 445 K CB -0.187 32.283 32.500 -0.050 0.000 0.780 445 K HN 0.429 nan 8.250 nan 0.000 0.483 446 I N -0.466 120.059 120.570 -0.074 0.000 2.286 446 I HA -0.269 3.901 4.170 0.001 0.000 0.248 446 I C 1.847 177.926 176.117 -0.063 0.000 1.115 446 I CA 0.944 62.203 61.300 -0.067 0.000 1.392 446 I CB -0.524 37.432 38.000 -0.073 0.000 1.065 446 I HN -0.038 nan 8.210 nan 0.000 0.418 447 I N 1.519 122.049 120.570 -0.068 0.000 2.076 447 I HA -0.157 4.014 4.170 0.001 0.000 0.237 447 I C 0.230 176.313 176.117 -0.057 0.000 1.059 447 I CA 2.052 63.315 61.300 -0.061 0.000 1.317 447 I CB -2.963 35.002 38.000 -0.059 0.000 1.037 447 I HN 0.176 nan 8.210 nan 0.000 0.398 448 P HA -0.197 nan 4.420 nan 0.000 0.216 448 P C 1.807 179.076 177.300 -0.050 0.000 1.153 448 P CA 1.766 64.834 63.100 -0.054 0.000 0.858 448 P CB -0.079 31.586 31.700 -0.058 0.000 0.789 449 K N -0.507 119.863 120.400 -0.050 0.000 1.985 449 K HA -0.157 4.164 4.320 0.001 0.000 0.210 449 K C 2.165 178.737 176.600 -0.047 0.000 1.047 449 K CA 2.375 58.635 56.287 -0.045 0.000 0.932 449 K CB -0.915 31.559 32.500 -0.043 0.000 0.716 449 K HN 0.120 nan 8.250 nan 0.000 0.439 450 T N -0.157 114.367 114.554 -0.050 0.000 2.962 450 T HA -0.052 4.299 4.350 0.001 0.000 0.270 450 T C 1.927 176.593 174.700 -0.058 0.000 1.088 450 T CA 0.770 62.840 62.100 -0.051 0.000 1.127 450 T CB -0.179 68.659 68.868 -0.050 0.000 0.883 450 T HN 0.230 nan 8.240 nan 0.000 0.493 451 L N 0.541 121.727 121.223 -0.062 0.000 2.017 451 L HA 0.037 4.377 4.340 0.001 0.000 0.208 451 L C 3.325 180.147 176.870 -0.080 0.000 1.073 451 L CA 1.435 56.229 54.840 -0.076 0.000 0.745 451 L CB -0.836 41.179 42.059 -0.074 0.000 0.894 451 L HN 0.428 nan 8.230 nan 0.000 0.432 452 A N -0.295 122.486 122.820 -0.064 0.000 1.858 452 A HA -0.274 4.046 4.320 0.001 0.000 0.216 452 A C 2.193 179.745 177.584 -0.054 0.000 1.190 452 A CA 1.839 53.841 52.037 -0.058 0.000 0.617 452 A CB -0.663 18.311 19.000 -0.043 0.000 0.827 452 A HN 0.456 nan 8.150 nan 0.000 0.443 453 E N -0.108 120.063 120.200 -0.048 0.000 2.065 453 E HA -0.303 4.048 4.350 0.001 0.000 0.201 453 E C 1.760 178.333 176.600 -0.046 0.000 1.016 453 E CA 1.805 58.180 56.400 -0.042 0.000 0.818 453 E CB -0.209 29.468 29.700 -0.040 0.000 0.749 453 E HN 0.566 nan 8.360 nan 0.000 0.453 454 N N 0.012 118.678 118.700 -0.055 0.000 2.272 454 N HA -0.139 4.601 4.740 0.001 0.000 0.185 454 N C 1.344 176.814 175.510 -0.067 0.000 1.014 454 N CA 1.242 54.257 53.050 -0.059 0.000 0.870 454 N CB -0.369 38.078 38.487 -0.067 0.000 0.975 454 N HN 0.276 nan 8.380 nan 0.000 0.433 455 A N -0.463 122.308 122.820 -0.081 0.000 2.119 455 A HA 0.347 4.667 4.320 0.001 0.000 0.216 455 A C 1.574 179.126 177.584 -0.052 0.000 1.152 455 A CA 1.114 53.098 52.037 -0.089 0.000 0.708 455 A CB -0.341 18.591 19.000 -0.113 0.000 0.805 455 A HN 0.338 nan 8.150 nan 0.000 0.460 456 G N -1.595 107.179 108.800 -0.042 0.000 2.141 456 G HA2 -0.182 3.778 3.960 0.001 0.000 0.231 456 G HA3 -0.182 3.778 3.960 0.001 0.000 0.231 456 G C 0.119 175.004 174.900 -0.024 0.000 0.984 456 G CA 0.226 45.309 45.100 -0.028 0.000 0.660 456 G HN 0.417 nan 8.290 nan 0.000 0.525 457 L N 0.017 121.222 121.223 -0.029 0.000 2.479 457 L HA 0.509 4.850 4.340 0.001 0.000 0.249 457 L C 0.560 177.418 176.870 -0.020 0.000 1.178 457 L CA -0.773 54.054 54.840 -0.023 0.000 0.811 457 L CB 0.353 42.396 42.059 -0.027 0.000 1.187 457 L HN 0.092 nan 8.230 nan 0.000 0.480 458 D N -0.068 120.322 120.400 -0.016 0.000 2.393 458 D HA 0.072 4.713 4.640 0.001 0.000 0.232 458 D C 0.901 177.192 176.300 -0.016 0.000 1.192 458 D CA -0.131 53.861 54.000 -0.014 0.000 0.882 458 D CB 1.163 41.957 40.800 -0.010 0.000 1.038 458 D HN 0.457 nan 8.370 nan 0.000 0.499 459 T N 2.605 117.148 114.554 -0.019 0.000 2.592 459 T HA -0.192 4.158 4.350 0.001 0.000 0.267 459 T C 2.021 176.711 174.700 -0.017 0.000 1.060 459 T CA 1.784 63.872 62.100 -0.021 0.000 1.167 459 T CB -0.160 68.694 68.868 -0.023 0.000 0.863 459 T HN 0.346 nan 8.240 nan 0.000 0.431 460 V N 1.486 121.392 119.914 -0.014 0.000 2.282 460 V HA -0.240 3.881 4.120 0.001 0.000 0.249 460 V C 2.491 178.580 176.094 -0.008 0.000 1.057 460 V CA 2.006 64.299 62.300 -0.011 0.000 1.032 460 V CB -0.687 31.131 31.823 -0.009 0.000 0.645 460 V HN 0.591 nan 8.190 nan 0.000 0.447 461 E N -0.740 119.456 120.200 -0.007 0.000 2.015 461 E HA -0.198 4.152 4.350 0.001 0.000 0.191 461 E C 2.349 178.946 176.600 -0.004 0.000 0.991 461 E CA 1.324 57.721 56.400 -0.004 0.000 0.802 461 E CB -0.270 29.428 29.700 -0.004 0.000 0.759 461 E HN 0.351 nan 8.360 nan 0.000 0.447 462 M N 0.767 120.362 119.600 -0.008 0.000 2.089 462 M HA -0.188 4.292 4.480 0.001 0.000 0.257 462 M C 2.379 178.675 176.300 -0.008 0.000 1.071 462 M CA 1.253 56.548 55.300 -0.008 0.000 1.096 462 M CB -0.859 31.732 32.600 -0.015 0.000 1.330 462 M HN 0.168 nan 8.290 nan 0.000 0.403 463 L N -0.600 120.615 121.223 -0.013 0.000 1.989 463 L HA -0.191 4.149 4.340 0.001 0.000 0.211 463 L C 2.616 179.482 176.870 -0.006 0.000 1.071 463 L CA 1.458 56.289 54.840 -0.015 0.000 0.749 463 L CB -1.456 40.591 42.059 -0.019 0.000 0.890 463 L HN 0.132 nan 8.230 nan 0.000 0.431 464 V N 0.119 120.031 119.914 -0.002 0.000 2.282 464 V HA -0.354 3.766 4.120 0.001 0.000 0.249 464 V C 2.586 178.686 176.094 0.010 0.000 1.057 464 V CA 1.929 64.231 62.300 0.004 0.000 1.032 464 V CB -0.567 31.258 31.823 0.004 0.000 0.645 464 V HN 0.469 nan 8.190 nan 0.000 0.447 465 K N -0.332 120.074 120.400 0.010 0.000 2.001 465 K HA -0.117 4.204 4.320 0.001 0.000 0.208 465 K C 2.042 178.659 176.600 0.028 0.000 1.048 465 K CA 1.585 57.882 56.287 0.017 0.000 0.932 465 K CB -0.507 32.001 32.500 0.013 0.000 0.715 465 K HN 0.388 nan 8.250 nan 0.000 0.437 466 V N 2.076 122.005 119.914 0.024 0.000 2.287 466 V HA -0.271 3.849 4.120 0.001 0.000 0.248 466 V C 2.265 178.399 176.094 0.066 0.000 1.053 466 V CA 1.792 64.117 62.300 0.041 0.000 1.027 466 V CB -0.639 31.194 31.823 0.016 0.000 0.646 466 V HN 0.265 nan 8.190 nan 0.000 0.447 467 I N 0.239 120.828 120.570 0.031 0.000 2.264 467 I HA -0.245 3.926 4.170 0.001 0.000 0.248 467 I C 2.751 178.915 176.117 0.078 0.000 1.111 467 I CA 1.854 63.175 61.300 0.035 0.000 1.382 467 I CB -0.461 37.542 38.000 0.005 0.000 1.060 467 I HN 0.342 nan 8.210 nan 0.000 0.418 468 S N 0.364 116.098 115.700 0.056 0.000 2.338 468 S HA -0.179 4.291 4.470 0.001 0.000 0.218 468 S C 2.065 176.700 174.600 0.058 0.000 1.032 468 S CA 1.258 59.487 58.200 0.049 0.000 0.999 468 S CB -0.159 63.060 63.200 0.031 0.000 0.905 468 S HN 0.319 nan 8.310 nan 0.000 0.439 469 E N 0.314 120.548 120.200 0.057 0.000 2.085 469 E HA -0.203 4.148 4.350 0.001 0.000 0.194 469 E C 1.905 178.539 176.600 0.056 0.000 0.994 469 E CA 1.556 57.984 56.400 0.047 0.000 0.801 469 E CB -0.751 28.975 29.700 0.044 0.000 0.743 469 E HN 0.763 nan 8.360 nan 0.000 0.453 470 H N 0.959 120.032 119.070 0.005 0.000 2.319 470 H HA -0.052 4.505 4.556 0.001 0.000 0.299 470 H C 2.000 177.332 175.328 0.006 0.000 1.092 470 H CA 2.067 58.119 56.048 0.005 0.000 1.302 470 H CB 0.212 29.977 29.762 0.005 0.000 1.373 470 H HN -0.022 nan 8.280 nan 0.000 0.497 471 K N -0.372 120.109 120.400 0.135 0.000 2.147 471 K HA -0.115 4.206 4.320 0.001 0.000 0.205 471 K C 1.786 178.392 176.600 0.010 0.000 1.049 471 K CA 1.224 57.555 56.287 0.074 0.000 0.936 471 K CB 0.094 32.637 32.500 0.072 0.000 0.722 471 K HN 0.406 nan 8.250 nan 0.000 0.446 472 N N 0.367 119.068 118.700 0.001 0.000 2.290 472 N HA -0.025 4.716 4.740 0.001 0.000 0.179 472 N C 1.243 176.730 175.510 -0.038 0.000 1.016 472 N CA 0.902 53.945 53.050 -0.012 0.000 0.871 472 N CB 0.261 38.747 38.487 -0.001 0.000 0.987 472 N HN 0.162 nan 8.380 nan 0.000 0.431 473 R N -0.044 120.415 120.500 -0.067 0.000 2.397 473 R HA 0.298 4.639 4.340 0.001 0.000 0.241 473 R C 0.662 176.873 176.300 -0.148 0.000 0.914 473 R CA 0.258 56.307 56.100 -0.086 0.000 1.071 473 R CB 0.978 31.241 30.300 -0.062 0.000 1.116 473 R HN 0.096 nan 8.270 nan 0.000 0.524 474 G N 0.909 109.558 108.800 -0.252 0.000 2.631 474 G HA2 -0.258 3.703 3.960 0.001 0.000 0.504 474 G HA3 -0.258 3.703 3.960 0.001 0.000 0.504 474 G C 0.217 174.789 174.900 -0.547 0.000 1.306 474 G CA -0.332 44.580 45.100 -0.313 0.000 0.897 474 G HN 0.088 nan 8.290 nan 0.000 0.520 475 L N 0.754 121.812 121.223 -0.275 0.000 2.103 475 L HA 0.039 4.379 4.340 0.001 0.000 0.215 475 L C 2.665 179.530 176.870 -0.008 0.000 1.080 475 L CA 3.751 58.535 54.840 -0.094 0.000 0.764 475 L CB -0.687 41.373 42.059 0.001 0.000 0.890 475 L HN 1.477 nan 8.230 nan 0.000 0.435 476 G N -0.718 108.048 108.800 -0.056 0.000 2.920 476 G HA2 0.065 4.026 3.960 0.001 0.000 0.208 476 G HA3 0.065 4.026 3.960 0.001 0.000 0.208 476 G C 0.683 175.604 174.900 0.034 0.000 1.159 476 G CA -0.266 44.838 45.100 0.007 0.000 0.784 476 G HN 0.251 nan 8.290 nan 0.000 0.535 477 I N 2.314 122.895 120.570 0.018 0.000 2.347 477 I HA 0.327 4.497 4.170 0.001 0.000 0.294 477 I C 0.971 177.246 176.117 0.264 0.000 1.090 477 I CA -0.242 61.130 61.300 0.121 0.000 1.314 477 I CB 0.135 38.168 38.000 0.055 0.000 1.423 477 I HN 0.014 nan 8.210 nan 0.000 0.503 478 G N 6.492 115.368 108.800 0.125 0.000 3.209 478 G HA2 0.724 4.684 3.960 0.001 0.000 0.236 478 G HA3 0.724 4.684 3.960 0.001 0.000 0.236 478 G C -0.929 173.997 174.900 0.044 0.000 1.329 478 G CA -0.530 44.616 45.100 0.078 0.000 1.015 478 G HN 0.288 nan 8.290 nan 0.000 0.571 479 I N 0.776 121.354 120.570 0.014 0.000 2.354 479 I HA 0.256 4.426 4.170 0.001 0.000 0.292 479 I C -0.847 175.266 176.117 -0.007 0.000 0.989 479 I CA -0.480 60.820 61.300 -0.000 0.000 1.188 479 I CB 1.920 39.907 38.000 -0.023 0.000 1.342 479 I HN 0.254 nan 8.210 nan 0.000 0.457 480 D N 5.942 126.346 120.400 0.007 0.000 2.428 480 D HA 0.124 4.764 4.640 0.001 0.000 0.221 480 D C 1.115 177.405 176.300 -0.018 0.000 1.123 480 D CA -0.311 53.701 54.000 0.021 0.000 0.869 480 D CB 1.270 42.105 40.800 0.059 0.000 1.032 480 D HN 0.361 nan 8.370 nan 0.000 0.506 481 V N 2.547 122.391 119.914 -0.117 0.000 2.407 481 V HA -0.163 3.958 4.120 0.001 0.000 0.248 481 V C 1.876 177.865 176.094 -0.175 0.000 1.055 481 V CA 1.119 63.296 62.300 -0.205 0.000 1.049 481 V CB -1.110 30.495 31.823 -0.364 0.000 0.662 481 V HN 0.312 nan 8.190 nan 0.000 0.455 482 F N 1.290 121.238 119.950 -0.004 0.000 2.171 482 F HA 0.031 4.559 4.527 0.001 0.000 0.300 482 F C 2.539 178.336 175.800 -0.004 0.000 1.090 482 F CA 2.042 60.039 58.000 -0.005 0.000 1.293 482 F CB -0.603 38.393 39.000 -0.006 0.000 1.013 482 F HN 0.283 nan 8.300 nan 0.000 0.486 483 E N -0.275 120.031 120.200 0.177 0.000 2.250 483 E HA 0.144 4.495 4.350 0.001 0.000 0.192 483 E C 1.484 178.117 176.600 0.055 0.000 0.986 483 E CA 0.811 57.271 56.400 0.100 0.000 0.849 483 E CB -0.112 29.636 29.700 0.081 0.000 0.797 483 E HN 0.253 nan 8.360 nan 0.000 0.482 484 G N 1.087 109.908 108.800 0.034 0.000 2.212 484 G HA2 -0.296 3.665 3.960 0.001 0.000 0.255 484 G HA3 -0.296 3.665 3.960 0.001 0.000 0.255 484 G C -0.210 174.697 174.900 0.011 0.000 1.062 484 G CA 0.702 45.810 45.100 0.012 0.000 0.815 484 G HN 0.473 nan 8.290 nan 0.000 0.497 485 K N -2.434 117.974 120.400 0.014 0.000 2.658 485 K HA 0.639 4.959 4.320 0.001 0.000 0.293 485 K C -3.433 173.178 176.600 0.019 0.000 1.026 485 K CA -1.941 54.355 56.287 0.015 0.000 0.871 485 K CB 0.873 33.384 32.500 0.018 0.000 1.524 485 K HN -0.046 nan 8.250 nan 0.000 0.400 486 P HA 0.310 nan 4.420 nan 0.000 0.271 486 P C -1.230 176.089 177.300 0.031 0.000 1.244 486 P CA -0.158 62.959 63.100 0.030 0.000 0.793 486 P CB 0.767 32.488 31.700 0.035 0.000 0.984 487 A N 0.131 122.974 122.820 0.037 0.000 2.567 487 A HA 0.360 4.681 4.320 0.001 0.000 0.291 487 A C -1.577 176.027 177.584 0.033 0.000 1.048 487 A CA -0.500 51.556 52.037 0.033 0.000 0.661 487 A CB 0.549 19.571 19.000 0.036 0.000 1.288 487 A HN 0.434 nan 8.150 nan 0.000 0.424 488 D N 2.117 122.531 120.400 0.024 0.000 2.393 488 D HA 0.256 4.897 4.640 0.001 0.000 0.232 488 D C 1.128 177.443 176.300 0.026 0.000 1.192 488 D CA -0.397 53.613 54.000 0.018 0.000 0.882 488 D CB 0.506 41.309 40.800 0.006 0.000 1.038 488 D HN 0.376 nan 8.370 nan 0.000 0.499 489 M N 3.193 122.813 119.600 0.034 0.000 2.202 489 M HA -0.179 4.301 4.480 0.001 0.000 0.262 489 M C 1.634 177.951 176.300 0.029 0.000 1.063 489 M CA 0.759 56.081 55.300 0.036 0.000 1.097 489 M CB -0.565 32.059 32.600 0.041 0.000 1.382 489 M HN 0.388 nan 8.290 nan 0.000 0.413 490 L N 0.429 121.665 121.223 0.022 0.000 1.994 490 L HA -0.161 4.179 4.340 0.001 0.000 0.208 490 L C 2.349 179.227 176.870 0.014 0.000 1.071 490 L CA 1.808 56.658 54.840 0.016 0.000 0.745 490 L CB -1.187 40.877 42.059 0.010 0.000 0.892 490 L HN 0.361 nan 8.230 nan 0.000 0.431 491 E N -0.534 119.673 120.200 0.012 0.000 2.118 491 E HA -0.237 4.114 4.350 0.001 0.000 0.195 491 E C 1.836 178.444 176.600 0.014 0.000 0.992 491 E CA 1.122 57.528 56.400 0.010 0.000 0.804 491 E CB -0.105 29.600 29.700 0.008 0.000 0.741 491 E HN 0.448 nan 8.360 nan 0.000 0.458 492 K N -0.486 119.926 120.400 0.020 0.000 2.487 492 K HA 0.041 4.361 4.320 0.001 0.000 0.192 492 K C 0.968 177.583 176.600 0.025 0.000 1.027 492 K CA 0.482 56.784 56.287 0.025 0.000 1.054 492 K CB 0.469 32.992 32.500 0.038 0.000 0.824 492 K HN 0.239 nan 8.250 nan 0.000 0.510 493 G N 2.067 110.880 108.800 0.022 0.000 2.160 493 G HA2 -0.242 3.719 3.960 0.001 0.000 0.251 493 G HA3 -0.242 3.719 3.960 0.001 0.000 0.251 493 G C -0.121 174.795 174.900 0.027 0.000 1.008 493 G CA -0.142 44.970 45.100 0.020 0.000 0.724 493 G HN 0.183 nan 8.290 nan 0.000 0.514 494 I N 1.416 122.006 120.570 0.033 0.000 2.276 494 I HA 0.543 4.713 4.170 0.001 0.000 0.290 494 I C 0.417 176.552 176.117 0.030 0.000 1.109 494 I CA -1.059 60.264 61.300 0.039 0.000 1.229 494 I CB 0.294 38.323 38.000 0.050 0.000 1.452 494 I HN 0.322 nan 8.210 nan 0.000 0.497 495 I N 2.717 123.302 120.570 0.025 0.000 3.174 495 I HA 0.884 5.055 4.170 0.001 0.000 0.313 495 I C -0.655 175.473 176.117 0.018 0.000 1.155 495 I CA -1.114 60.198 61.300 0.021 0.000 0.977 495 I CB 2.095 40.106 38.000 0.018 0.000 1.248 495 I HN 0.493 nan 8.210 nan 0.000 0.453 496 E N 1.126 121.335 120.200 0.015 0.000 2.413 496 E HA 0.631 4.981 4.350 0.001 0.000 0.277 496 E C -3.173 173.434 176.600 0.011 0.000 0.958 496 E CA -2.155 54.252 56.400 0.012 0.000 0.779 496 E CB 1.852 31.559 29.700 0.011 0.000 1.278 496 E HN 0.329 nan 8.360 nan 0.000 0.456 497 P HA -0.045 nan 4.420 nan 0.000 0.266 497 P C 0.775 178.082 177.300 0.011 0.000 1.195 497 P CA -0.192 62.914 63.100 0.010 0.000 0.768 497 P CB 0.590 32.295 31.700 0.010 0.000 0.838 498 L N 3.334 124.564 121.223 0.012 0.000 2.079 498 L HA -0.200 4.141 4.340 0.001 0.000 0.210 498 L C 2.254 179.131 176.870 0.011 0.000 1.081 498 L CA 1.735 56.581 54.840 0.012 0.000 0.752 498 L CB -0.282 41.785 42.059 0.012 0.000 0.896 498 L HN 0.439 nan 8.230 nan 0.000 0.433 499 R N -0.727 119.780 120.500 0.011 0.000 2.159 499 R HA -0.162 4.178 4.340 0.001 0.000 0.237 499 R C 2.073 178.379 176.300 0.010 0.000 1.131 499 R CA 1.523 57.630 56.100 0.011 0.000 0.982 499 R CB -0.121 30.187 30.300 0.013 0.000 0.868 499 R HN 0.311 nan 8.270 nan 0.000 0.453 500 V N 1.163 121.082 119.914 0.009 0.000 2.261 500 V HA -0.275 3.845 4.120 0.001 0.000 0.246 500 V C 2.396 178.493 176.094 0.004 0.000 1.047 500 V CA 1.721 64.025 62.300 0.006 0.000 1.015 500 V CB -0.398 31.428 31.823 0.004 0.000 0.642 500 V HN 0.252 nan 8.190 nan 0.000 0.446 501 K N 0.396 120.800 120.400 0.006 0.000 2.002 501 K HA -0.155 4.166 4.320 0.001 0.000 0.209 501 K C 2.140 178.746 176.600 0.011 0.000 1.048 501 K CA 1.530 57.821 56.287 0.006 0.000 0.930 501 K CB -0.529 31.976 32.500 0.008 0.000 0.714 501 K HN 0.445 nan 8.250 nan 0.000 0.438 502 K N 0.604 121.011 120.400 0.012 0.000 2.015 502 K HA -0.255 4.066 4.320 0.001 0.000 0.216 502 K C 2.294 178.904 176.600 0.017 0.000 1.052 502 K CA 1.920 58.215 56.287 0.015 0.000 0.937 502 K CB -0.172 32.335 32.500 0.012 0.000 0.719 502 K HN 0.035 nan 8.250 nan 0.000 0.446 503 Q N 0.617 120.425 119.800 0.013 0.000 2.124 503 Q HA -0.086 4.254 4.340 0.001 0.000 0.202 503 Q C 1.845 177.852 176.000 0.012 0.000 0.977 503 Q CA 1.829 57.640 55.803 0.014 0.000 0.850 503 Q CB -0.276 28.469 28.738 0.011 0.000 0.901 503 Q HN 0.339 nan 8.270 nan 0.000 0.429 504 A N 0.437 123.261 122.820 0.007 0.000 1.877 504 A HA -0.161 4.160 4.320 0.001 0.000 0.216 504 A C 1.928 179.513 177.584 0.001 0.000 1.186 504 A CA 1.629 53.664 52.037 -0.002 0.000 0.620 504 A CB -0.736 18.258 19.000 -0.011 0.000 0.822 504 A HN 0.448 nan 8.150 nan 0.000 0.443 505 I N -0.045 120.534 120.570 0.015 0.000 2.226 505 I HA -0.211 3.960 4.170 0.001 0.000 0.245 505 I C 2.248 178.402 176.117 0.062 0.000 1.100 505 I CA 1.599 62.925 61.300 0.043 0.000 1.374 505 I CB -1.325 36.725 38.000 0.083 0.000 1.057 505 I HN 0.371 nan 8.210 nan 0.000 0.413 506 K N 0.541 120.969 120.400 0.047 0.000 2.026 506 K HA -0.116 4.204 4.320 0.001 0.000 0.208 506 K C 2.347 178.973 176.600 0.043 0.000 1.048 506 K CA 1.742 58.058 56.287 0.048 0.000 0.929 506 K CB -0.145 32.375 32.500 0.033 0.000 0.713 506 K HN 0.145 nan 8.250 nan 0.000 0.439 507 S N 0.556 116.272 115.700 0.028 0.000 2.383 507 S HA -0.090 4.381 4.470 0.001 0.000 0.227 507 S C 2.050 176.662 174.600 0.020 0.000 1.026 507 S CA 1.086 59.299 58.200 0.022 0.000 0.981 507 S CB -0.118 63.089 63.200 0.013 0.000 0.818 507 S HN 0.421 nan 8.310 nan 0.000 0.472 508 A N 1.355 124.178 122.820 0.006 0.000 1.898 508 A HA -0.048 4.272 4.320 0.001 0.000 0.216 508 A C 2.323 179.910 177.584 0.005 0.000 1.181 508 A CA 1.797 53.824 52.037 -0.017 0.000 0.620 508 A CB -0.886 18.076 19.000 -0.064 0.000 0.819 508 A HN 0.440 nan 8.150 nan 0.000 0.442 509 S N 0.039 115.767 115.700 0.046 0.000 2.343 509 S HA -0.176 4.295 4.470 0.001 0.000 0.219 509 S C 1.847 176.525 174.600 0.131 0.000 1.033 509 S CA 1.576 59.853 58.200 0.128 0.000 1.014 509 S CB -0.421 62.904 63.200 0.208 0.000 0.915 509 S HN 0.701 nan 8.310 nan 0.000 0.435 510 E N 1.343 121.601 120.200 0.096 0.000 2.153 510 E HA -0.095 4.255 4.350 0.001 0.000 0.194 510 E C 2.312 178.956 176.600 0.074 0.000 0.988 510 E CA 0.940 57.390 56.400 0.084 0.000 0.811 510 E CB -0.252 29.484 29.700 0.061 0.000 0.746 510 E HN 0.509 nan 8.360 nan 0.000 0.466 511 A N 1.820 124.676 122.820 0.060 0.000 1.855 511 A HA -0.053 4.268 4.320 0.001 0.000 0.215 511 A C 2.468 180.091 177.584 0.065 0.000 1.191 511 A CA 1.560 53.626 52.037 0.050 0.000 0.613 511 A CB -0.716 18.303 19.000 0.031 0.000 0.829 511 A HN 0.279 nan 8.150 nan 0.000 0.442 512 A N 0.064 122.932 122.820 0.079 0.000 1.892 512 A HA -0.166 4.155 4.320 0.001 0.000 0.218 512 A C 2.139 179.811 177.584 0.146 0.000 1.188 512 A CA 1.740 53.846 52.037 0.115 0.000 0.631 512 A CB -0.743 18.344 19.000 0.146 0.000 0.822 512 A HN 0.509 nan 8.150 nan 0.000 0.447 513 I N -1.020 119.655 120.570 0.174 0.000 2.208 513 I HA -0.318 3.853 4.170 0.001 0.000 0.245 513 I C 2.732 178.901 176.117 0.087 0.000 1.097 513 I CA 2.003 63.392 61.300 0.149 0.000 1.363 513 I CB -0.270 37.824 38.000 0.157 0.000 1.051 513 I HN 0.546 nan 8.210 nan 0.000 0.413 514 M N 0.884 120.529 119.600 0.076 0.000 2.080 514 M HA -0.238 4.242 4.480 0.001 0.000 0.260 514 M C 2.299 178.627 176.300 0.047 0.000 1.068 514 M CA 2.071 57.404 55.300 0.055 0.000 1.109 514 M CB -0.136 32.493 32.600 0.048 0.000 1.342 514 M HN 0.098 nan 8.290 nan 0.000 0.405 515 I N 0.187 120.786 120.570 0.049 0.000 2.286 515 I HA -0.285 3.885 4.170 0.001 0.000 0.248 515 I C 2.061 178.196 176.117 0.031 0.000 1.115 515 I CA 0.609 61.934 61.300 0.041 0.000 1.392 515 I CB -0.451 37.573 38.000 0.040 0.000 1.065 515 I HN 0.342 nan 8.210 nan 0.000 0.418 516 L N 0.686 121.929 121.223 0.034 0.000 2.131 516 L HA -0.160 4.180 4.340 0.001 0.000 0.210 516 L C 2.379 179.251 176.870 0.002 0.000 1.092 516 L CA 1.738 56.584 54.840 0.009 0.000 0.759 516 L CB -0.978 41.079 42.059 -0.002 0.000 0.903 516 L HN 0.201 nan 8.230 nan 0.000 0.435 517 R N -1.167 119.345 120.500 0.019 0.000 2.307 517 R HA 0.101 4.442 4.340 0.001 0.000 0.199 517 R C 0.324 176.634 176.300 0.017 0.000 1.000 517 R CA 0.016 56.128 56.100 0.021 0.000 1.023 517 R CB -0.026 30.294 30.300 0.033 0.000 0.908 517 R HN 0.245 nan 8.270 nan 0.000 0.473 518 I N 2.456 123.036 120.570 0.017 0.000 2.371 518 I HA -0.008 4.162 4.170 0.001 0.000 0.290 518 I C 0.331 176.456 176.117 0.014 0.000 1.028 518 I CA 0.012 61.324 61.300 0.020 0.000 1.345 518 I CB 1.086 39.103 38.000 0.029 0.000 1.407 518 I HN 0.103 nan 8.210 nan 0.000 0.501 519 D N 3.762 124.171 120.400 0.016 0.000 2.620 519 D HA 0.152 4.792 4.640 0.001 0.000 0.260 519 D C -0.522 175.795 176.300 0.030 0.000 1.367 519 D CA -0.115 53.892 54.000 0.013 0.000 0.805 519 D CB 0.411 41.205 40.800 -0.010 0.000 1.096 519 D HN 0.348 nan 8.370 nan 0.000 0.488 520 D N 0.212 120.637 120.400 0.041 0.000 2.688 520 D HA 0.237 4.877 4.640 0.001 0.000 0.210 520 D C -1.606 174.732 176.300 0.063 0.000 1.333 520 D CA -0.386 53.645 54.000 0.051 0.000 0.920 520 D CB 2.009 42.827 40.800 0.031 0.000 1.554 520 D HN -0.160 nan 8.370 nan 0.000 0.579 521 V N 4.887 124.864 119.914 0.105 0.000 2.448 521 V HA 0.570 4.691 4.120 0.001 0.000 0.295 521 V C 0.178 176.339 176.094 0.110 0.000 1.025 521 V CA -0.590 61.778 62.300 0.113 0.000 0.859 521 V CB 1.625 33.539 31.823 0.151 0.000 0.988 521 V HN 0.484 nan 8.190 nan 0.000 0.431 522 I N 4.350 124.954 120.570 0.057 0.000 2.448 522 I HA 0.703 4.874 4.170 0.001 0.000 0.281 522 I C 0.117 176.248 176.117 0.022 0.000 1.027 522 I CA -0.463 60.854 61.300 0.030 0.000 1.111 522 I CB 1.711 39.717 38.000 0.009 0.000 1.236 522 I HN 0.655 nan 8.210 nan 0.000 0.452 523 A N 5.009 127.846 122.820 0.028 0.000 2.287 523 A HA 0.882 5.203 4.320 0.001 0.000 0.317 523 A C 0.193 177.781 177.584 0.006 0.000 1.220 523 A CA -0.458 51.589 52.037 0.016 0.000 0.835 523 A CB 1.061 20.075 19.000 0.023 0.000 1.180 523 A HN 0.767 nan 8.150 nan 0.000 0.500 524 A N 2.221 125.040 122.820 -0.000 0.000 2.366 524 A HA 0.471 4.792 4.320 0.001 0.000 0.250 524 A C 0.612 178.195 177.584 -0.001 0.000 1.099 524 A CA -0.163 51.872 52.037 -0.003 0.000 0.794 524 A CB 0.141 19.139 19.000 -0.004 0.000 1.056 524 A HN 0.855 nan 8.150 nan 0.000 0.499 525 K N 0.396 120.794 120.400 -0.003 0.000 2.322 525 K HA 0.466 4.787 4.320 0.001 0.000 0.283 525 K C 0.434 177.034 176.600 0.000 0.000 1.042 525 K CA 0.021 56.308 56.287 -0.000 0.000 0.958 525 K CB 0.639 33.138 32.500 -0.002 0.000 0.984 525 K HN 0.800 nan 8.250 nan 0.000 0.473 526 A N 0.000 122.821 122.820 0.002 0.000 2.254 526 A HA 0.000 4.321 4.320 0.001 0.000 0.244 526 A CA 0.000 52.038 52.037 0.001 0.000 0.836 526 A CB 0.000 19.001 19.000 0.002 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486