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 3cq6_1_E DATA FIRST_RESID 3 DATA SEQUENCE KITLSDLPLR EELRGEHAYG APQLNVDIRL NTNENPYPPS EALVADLVAT DATA SEQUENCE VDKIATELNR YPERDAVELR DELAAYITKQ TGVAVTRDNL WAANGSNEIL DATA SEQUENCE QQLLQAFGGP GRTALGFQPS YSMHPILAKG THTEFIAVSR GADFRIDMDV DATA SEQUENCE ALEEIRAKQP DIVFVTTPNN PTGDVTSLDD VERIINVAPG IVIVDEAYAE DATA SEQUENCE FSPSPSATTL LEKYPTKLVV SRTMSXAFDF AGGRLGYFVA NPAFIDAVML DATA SEQUENCE VRLPYHLSAL SQAAAIVALR HSADTLGTVE KLSVERVRVA ARLEELGYAV DATA SEQUENCE VPSESNFVFF GDFSDQHAAW QAFLDRGVLI RDVGIAGHLR TTIGVPEEND DATA SEQUENCE AFLDAAAEII KLNL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.603 176.600 0.005 0.000 0.988 3 K CA 0.000 56.290 56.287 0.004 0.000 0.838 3 K CB 0.000 32.503 32.500 0.004 0.000 1.064 4 I N -1.268 119.305 120.570 0.005 0.000 3.002 4 I HA 0.935 5.144 4.170 0.064 0.000 0.310 4 I C 0.132 176.253 176.117 0.007 0.000 1.087 4 I CA -0.521 60.782 61.300 0.006 0.000 1.017 4 I CB 2.690 40.694 38.000 0.006 0.000 1.226 4 I HN 0.939 nan 8.210 nan 0.000 0.443 5 T N 0.952 115.510 114.554 0.007 0.000 2.831 5 T HA 0.358 4.746 4.350 0.064 0.000 0.287 5 T C 0.550 175.254 174.700 0.008 0.000 1.070 5 T CA -0.654 61.451 62.100 0.008 0.000 1.010 5 T CB 1.289 70.162 68.868 0.008 0.000 1.264 5 T HN 0.752 nan 8.240 nan 0.000 0.532 6 L N 1.707 122.936 121.223 0.009 0.000 2.127 6 L HA 0.007 4.385 4.340 0.064 0.000 0.211 6 L C 2.662 179.536 176.870 0.006 0.000 1.089 6 L CA 2.765 57.610 54.840 0.008 0.000 0.757 6 L CB -1.192 40.873 42.059 0.009 0.000 0.899 6 L HN 0.924 nan 8.230 nan 0.000 0.434 7 S N -1.921 113.782 115.700 0.005 0.000 2.442 7 S HA -0.133 4.375 4.470 0.064 0.000 0.236 7 S C 1.422 176.024 174.600 0.003 0.000 1.007 7 S CA 1.037 59.239 58.200 0.003 0.000 0.965 7 S CB -0.614 62.587 63.200 0.002 0.000 0.773 7 S HN 0.522 nan 8.310 nan 0.000 0.504 8 D N 1.182 121.584 120.400 0.004 0.000 2.349 8 D HA 0.257 4.935 4.640 0.064 0.000 0.224 8 D C 0.339 176.642 176.300 0.005 0.000 1.029 8 D CA 0.229 54.232 54.000 0.005 0.000 0.879 8 D CB 0.007 40.809 40.800 0.005 0.000 0.906 8 D HN 0.444 nan 8.370 nan 0.000 0.528 9 L N 1.526 122.753 121.223 0.006 0.000 2.344 9 L HA 0.294 4.672 4.340 0.064 0.000 0.272 9 L C -1.740 175.134 176.870 0.007 0.000 1.035 9 L CA -1.849 52.995 54.840 0.007 0.000 0.807 9 L CB 1.401 43.465 42.059 0.008 0.000 1.237 9 L HN -0.279 nan 8.230 nan 0.000 0.442 10 P HA 0.067 nan 4.420 nan 0.000 0.237 10 P C -0.145 177.161 177.300 0.009 0.000 1.723 10 P CA -0.296 62.808 63.100 0.007 0.000 0.882 10 P CB -0.078 31.626 31.700 0.007 0.000 1.810 11 L N 0.743 121.972 121.223 0.009 0.000 2.506 11 L HA 0.011 4.390 4.340 0.064 0.000 0.281 11 L C 0.889 177.767 176.870 0.013 0.000 1.228 11 L CA 0.189 55.036 54.840 0.012 0.000 0.850 11 L CB 0.091 42.155 42.059 0.008 0.000 1.110 11 L HN 0.054 nan 8.230 nan 0.000 0.496 12 R N 2.610 123.122 120.500 0.021 0.000 2.583 12 R HA -0.092 4.286 4.340 0.064 0.000 0.274 12 R C 0.969 177.279 176.300 0.018 0.000 0.998 12 R CA 0.166 56.281 56.100 0.025 0.000 1.081 12 R CB 0.321 30.650 30.300 0.048 0.000 0.940 12 R HN 0.650 nan 8.270 nan 0.000 0.413 13 E N 2.770 122.978 120.200 0.013 0.000 2.153 13 E HA -0.214 4.175 4.350 0.064 0.000 0.194 13 E C 1.065 177.668 176.600 0.006 0.000 0.988 13 E CA 1.850 58.253 56.400 0.006 0.000 0.811 13 E CB 0.173 29.875 29.700 0.004 0.000 0.746 13 E HN 0.709 nan 8.360 nan 0.000 0.466 14 E N -0.305 119.906 120.200 0.018 0.000 2.418 14 E HA -0.107 4.282 4.350 0.064 0.000 0.197 14 E C 1.597 178.202 176.600 0.008 0.000 1.026 14 E CA 0.595 57.007 56.400 0.020 0.000 0.862 14 E CB -0.160 29.568 29.700 0.046 0.000 0.799 14 E HN 0.316 nan 8.360 nan 0.000 0.518 15 L N 0.532 121.758 121.223 0.006 0.000 2.554 15 L HA 0.155 4.533 4.340 0.064 0.000 0.225 15 L C 0.866 177.719 176.870 -0.029 0.000 1.104 15 L CA -0.370 54.464 54.840 -0.010 0.000 0.866 15 L CB 0.058 42.118 42.059 0.002 0.000 1.047 15 L HN -0.014 nan 8.230 nan 0.000 0.468 16 R N 0.915 121.400 120.500 -0.025 0.000 2.570 16 R HA 0.181 4.559 4.340 0.064 0.000 0.277 16 R C 1.147 177.408 176.300 -0.065 0.000 1.039 16 R CA 0.851 56.929 56.100 -0.035 0.000 1.065 16 R CB 0.046 30.332 30.300 -0.023 0.000 0.964 16 R HN 0.307 nan 8.270 nan 0.000 0.428 17 G N 1.516 110.262 108.800 -0.092 0.000 2.205 17 G HA2 -0.253 3.745 3.960 0.064 0.000 0.261 17 G HA3 -0.253 3.745 3.960 0.064 0.000 0.261 17 G C 0.085 174.807 174.900 -0.297 0.000 0.980 17 G CA 0.119 45.125 45.100 -0.157 0.000 0.632 17 G HN 0.541 nan 8.290 nan 0.000 0.533 18 E N 0.699 120.767 120.200 -0.221 0.000 2.366 18 E HA 0.450 4.839 4.350 0.064 0.000 0.266 18 E C 0.069 176.494 176.600 -0.290 0.000 1.051 18 E CA -0.088 56.171 56.400 -0.236 0.000 0.884 18 E CB 0.461 30.101 29.700 -0.100 0.000 1.006 18 E HN 0.673 nan 8.360 nan 0.000 0.417 19 H N -0.482 118.574 119.070 -0.023 0.000 2.472 19 H HA 0.482 5.076 4.556 0.063 0.000 0.338 19 H C -0.035 175.280 175.328 -0.021 0.000 1.133 19 H CA -0.865 55.166 56.048 -0.028 0.000 1.216 19 H CB 1.582 31.317 29.762 -0.045 0.000 1.497 19 H HN 0.581 nan 8.280 nan 0.000 0.500 20 A N 2.379 125.269 122.820 0.116 0.000 2.483 20 A HA -0.019 4.340 4.320 0.064 0.000 0.238 20 A C -0.551 177.078 177.584 0.075 0.000 1.070 20 A CA -0.188 51.897 52.037 0.079 0.000 0.770 20 A CB -0.277 18.760 19.000 0.062 0.000 1.008 20 A HN 0.792 nan 8.150 nan 0.000 0.497 21 Y N 1.275 121.557 120.300 -0.029 0.000 2.729 21 Y HA 0.314 4.905 4.550 0.069 0.000 0.331 21 Y C 0.996 176.871 175.900 -0.041 0.000 1.208 21 Y CA 1.118 59.185 58.100 -0.053 0.000 1.521 21 Y CB 0.263 38.676 38.460 -0.078 0.000 1.233 21 Y HN 0.617 nan 8.280 nan 0.000 0.539 22 G N 5.772 114.233 108.800 -0.565 0.000 4.632 22 G HA2 0.506 4.504 3.960 0.064 0.000 0.244 22 G HA3 0.506 4.504 3.960 0.064 0.000 0.244 22 G C -0.664 173.945 174.900 -0.486 0.000 1.070 22 G CA -0.099 44.761 45.100 -0.399 0.000 0.791 22 G HN 0.979 nan 8.290 nan 0.000 0.544 23 A N 1.591 123.948 122.820 -0.771 0.000 2.520 23 A HA 0.575 4.934 4.320 0.064 0.000 0.245 23 A C -1.717 175.762 177.584 -0.176 0.000 1.072 23 A CA -0.586 51.192 52.037 -0.432 0.000 0.761 23 A CB -0.092 18.705 19.000 -0.339 0.000 1.004 23 A HN 0.312 nan 8.150 nan 0.000 0.499 24 P HA 0.109 nan 4.420 nan 0.000 0.264 24 P C -0.584 176.745 177.300 0.048 0.000 1.193 24 P CA 0.328 63.446 63.100 0.031 0.000 0.763 24 P CB 0.360 32.170 31.700 0.184 0.000 0.810 25 Q N 3.121 122.946 119.800 0.041 0.000 2.454 25 Q HA 0.440 4.818 4.340 0.064 0.000 0.255 25 Q C -1.531 174.493 176.000 0.039 0.000 1.034 25 Q CA -0.381 55.448 55.803 0.043 0.000 0.736 25 Q CB 0.274 29.035 28.738 0.038 0.000 1.210 25 Q HN 0.434 nan 8.270 nan 0.000 0.500 26 L N 2.725 123.973 121.223 0.042 0.000 2.365 26 L HA 0.454 4.833 4.340 0.064 0.000 0.273 26 L C -0.121 176.759 176.870 0.017 0.000 1.000 26 L CA -1.011 53.846 54.840 0.028 0.000 0.819 26 L CB 1.789 43.866 42.059 0.030 0.000 1.284 26 L HN 0.474 nan 8.230 nan 0.000 0.418 27 N N 2.547 121.252 118.700 0.010 0.000 3.245 27 N HA 0.229 5.007 4.740 0.064 0.000 0.296 27 N C -0.566 174.943 175.510 -0.002 0.000 1.254 27 N CA -0.324 52.729 53.050 0.004 0.000 1.190 27 N CB 0.062 38.551 38.487 0.003 0.000 1.460 27 N HN 0.420 nan 8.380 nan 0.000 0.538 28 V N -1.307 118.604 119.914 -0.005 0.000 3.234 28 V HA 0.455 4.613 4.120 0.064 0.000 0.317 28 V C 1.112 177.200 176.094 -0.010 0.000 1.081 28 V CA -0.522 61.771 62.300 -0.013 0.000 1.037 28 V CB 1.205 33.013 31.823 -0.025 0.000 1.148 28 V HN 0.100 nan 8.190 nan 0.000 0.453 29 D N 0.127 120.521 120.400 -0.011 0.000 2.117 29 D HA 0.046 4.724 4.640 0.064 0.000 0.198 29 D C 0.603 176.899 176.300 -0.006 0.000 0.982 29 D CA 1.683 55.679 54.000 -0.007 0.000 0.828 29 D CB 0.086 40.882 40.800 -0.006 0.000 0.967 29 D HN 0.419 nan 8.370 nan 0.000 0.464 30 I N 1.780 122.348 120.570 -0.004 0.000 2.371 30 I HA 0.231 4.439 4.170 0.064 0.000 0.282 30 I C 0.090 176.203 176.117 -0.007 0.000 1.031 30 I CA -0.288 61.012 61.300 -0.000 0.000 1.180 30 I CB 0.896 38.910 38.000 0.023 0.000 1.336 30 I HN -0.306 nan 8.210 nan 0.000 0.467 31 R N 7.054 127.545 120.500 -0.015 0.000 2.215 31 R HA 0.548 4.926 4.340 0.064 0.000 0.337 31 R C -0.321 175.963 176.300 -0.027 0.000 1.010 31 R CA -0.376 55.717 56.100 -0.012 0.000 0.871 31 R CB 1.399 31.696 30.300 -0.005 0.000 1.134 31 R HN 0.553 nan 8.270 nan 0.000 0.477 32 L N 3.701 124.903 121.223 -0.035 0.000 3.186 32 L HA 0.177 4.555 4.340 0.064 0.000 0.317 32 L C 0.713 177.547 176.870 -0.060 0.000 1.296 32 L CA -0.119 54.675 54.840 -0.078 0.000 0.870 32 L CB 0.192 42.160 42.059 -0.151 0.000 1.302 32 L HN 0.562 nan 8.230 nan 0.000 0.590 33 N N -2.297 116.397 118.700 -0.010 0.000 2.193 33 N HA 0.047 4.825 4.740 0.064 0.000 0.210 33 N C 0.631 176.152 175.510 0.019 0.000 1.215 33 N CA 0.035 53.099 53.050 0.024 0.000 0.901 33 N CB 0.840 39.377 38.487 0.083 0.000 1.060 33 N HN -0.012 nan 8.380 nan 0.000 0.508 34 T N 0.587 115.154 114.554 0.021 0.000 3.209 34 T HA 0.204 4.592 4.350 0.064 0.000 0.295 34 T C -0.185 174.550 174.700 0.058 0.000 0.977 34 T CA -0.390 61.738 62.100 0.046 0.000 0.922 34 T CB 0.133 69.043 68.868 0.070 0.000 1.152 34 T HN 0.060 nan 8.240 nan 0.000 0.527 35 N N 2.026 120.751 118.700 0.041 0.000 2.741 35 N HA -0.140 4.639 4.740 0.064 0.000 0.250 35 N C -0.332 175.279 175.510 0.168 0.000 1.115 35 N CA 0.759 53.876 53.050 0.112 0.000 0.724 35 N CB -1.108 37.481 38.487 0.170 0.000 1.090 35 N HN 0.648 nan 8.380 nan 0.000 0.558 36 E N 0.551 120.820 120.200 0.115 0.000 2.383 36 E HA 0.118 4.506 4.350 0.064 0.000 0.264 36 E C 0.688 177.373 176.600 0.141 0.000 1.050 36 E CA -0.519 55.958 56.400 0.128 0.000 0.896 36 E CB 0.503 30.253 29.700 0.083 0.000 0.982 36 E HN 0.132 nan 8.360 nan 0.000 0.424 37 N N 3.310 122.126 118.700 0.195 0.000 2.468 37 N HA 0.006 4.784 4.740 0.064 0.000 0.265 37 N C -1.688 173.891 175.510 0.115 0.000 1.199 37 N CA -1.363 51.816 53.050 0.215 0.000 0.928 37 N CB 0.871 39.530 38.487 0.287 0.000 1.059 37 N HN 0.291 nan 8.380 nan 0.000 0.467 38 P HA -0.024 nan 4.420 nan 0.000 0.236 38 P C -0.376 176.818 177.300 -0.178 0.000 1.177 38 P CA 0.583 63.602 63.100 -0.136 0.000 0.773 38 P CB 0.103 31.632 31.700 -0.285 0.000 0.878 39 Y N 1.750 122.094 120.300 0.073 0.000 2.319 39 Y HA 0.286 4.874 4.550 0.063 0.000 0.328 39 Y C -1.629 174.310 175.900 0.065 0.000 1.133 39 Y CA -2.613 55.525 58.100 0.063 0.000 1.265 39 Y CB -0.214 38.284 38.460 0.064 0.000 1.218 39 Y HN -0.037 nan 8.280 nan 0.000 0.508 40 P HA 0.130 nan 4.420 nan 0.000 0.272 40 P C -2.544 174.842 177.300 0.143 0.000 1.240 40 P CA -1.391 61.790 63.100 0.135 0.000 0.791 40 P CB -0.010 31.747 31.700 0.095 0.000 0.978 41 P HA 0.025 nan 4.420 nan 0.000 0.267 41 P C -0.029 177.308 177.300 0.061 0.000 1.200 41 P CA 0.118 63.281 63.100 0.105 0.000 0.772 41 P CB 0.078 31.846 31.700 0.113 0.000 0.855 42 S N 0.850 116.570 115.700 0.033 0.000 2.579 42 S HA 0.062 4.570 4.470 0.064 0.000 0.275 42 S C 1.094 175.686 174.600 -0.014 0.000 1.345 42 S CA -0.328 57.879 58.200 0.011 0.000 1.031 42 S CB 0.443 63.646 63.200 0.006 0.000 0.892 42 S HN 0.441 nan 8.310 nan 0.000 0.529 43 E N 1.637 121.836 120.200 -0.001 0.000 2.130 43 E HA -0.194 4.194 4.350 0.064 0.000 0.196 43 E C 2.306 178.890 176.600 -0.027 0.000 0.998 43 E CA 1.403 57.799 56.400 -0.006 0.000 0.806 43 E CB -0.460 29.245 29.700 0.007 0.000 0.738 43 E HN 0.840 nan 8.360 nan 0.000 0.459 44 A N 1.195 123.999 122.820 -0.027 0.000 1.877 44 A HA -0.156 4.202 4.320 0.064 0.000 0.216 44 A C 2.174 179.613 177.584 -0.241 0.000 1.186 44 A CA 0.983 53.001 52.037 -0.032 0.000 0.620 44 A CB -0.629 18.422 19.000 0.086 0.000 0.822 44 A HN 0.273 nan 8.150 nan 0.000 0.443 45 L N -0.222 120.751 121.223 -0.417 0.000 2.017 45 L HA -0.146 4.233 4.340 0.064 0.000 0.208 45 L C 2.432 179.141 176.870 -0.268 0.000 1.073 45 L CA 1.502 55.958 54.840 -0.640 0.000 0.745 45 L CB -0.218 41.603 42.059 -0.397 0.000 0.894 45 L HN 0.228 nan 8.230 nan 0.000 0.432 46 V N 0.173 120.011 119.914 -0.127 0.000 2.295 46 V HA -0.315 3.843 4.120 0.064 0.000 0.246 46 V C 2.799 178.867 176.094 -0.043 0.000 1.049 46 V CA 1.791 64.061 62.300 -0.051 0.000 1.024 46 V CB -1.114 30.698 31.823 -0.019 0.000 0.648 46 V HN 0.606 nan 8.190 nan 0.000 0.447 47 A N -0.072 122.722 122.820 -0.044 0.000 1.908 47 A HA -0.303 4.056 4.320 0.064 0.000 0.218 47 A C 2.111 179.687 177.584 -0.013 0.000 1.181 47 A CA 2.169 54.195 52.037 -0.019 0.000 0.627 47 A CB -0.689 18.308 19.000 -0.005 0.000 0.818 47 A HN 0.584 nan 8.150 nan 0.000 0.445 48 D N -0.419 119.964 120.400 -0.028 0.000 2.097 48 D HA -0.140 4.539 4.640 0.064 0.000 0.197 48 D C 1.817 178.115 176.300 -0.004 0.000 0.984 48 D CA 1.295 55.300 54.000 0.009 0.000 0.826 48 D CB -0.357 40.485 40.800 0.069 0.000 0.973 48 D HN 0.211 nan 8.370 nan 0.000 0.460 49 L N 0.340 121.545 121.223 -0.031 0.000 2.021 49 L HA -0.187 4.192 4.340 0.064 0.000 0.215 49 L C 2.497 179.368 176.870 0.002 0.000 1.074 49 L CA 1.560 56.396 54.840 -0.005 0.000 0.760 49 L CB -0.768 41.296 42.059 0.008 0.000 0.889 49 L HN -0.003 nan 8.230 nan 0.000 0.433 50 V N -0.226 119.687 119.914 -0.002 0.000 2.295 50 V HA -0.283 3.875 4.120 0.064 0.000 0.246 50 V C 2.757 178.852 176.094 0.001 0.000 1.049 50 V CA 1.652 63.952 62.300 -0.000 0.000 1.024 50 V CB -1.349 30.473 31.823 -0.002 0.000 0.648 50 V HN 0.624 nan 8.190 nan 0.000 0.447 51 A N -0.295 122.527 122.820 0.003 0.000 1.933 51 A HA -0.213 4.145 4.320 0.064 0.000 0.218 51 A C 2.393 179.980 177.584 0.004 0.000 1.175 51 A CA 2.454 54.494 52.037 0.005 0.000 0.628 51 A CB -0.918 18.088 19.000 0.010 0.000 0.814 51 A HN 0.513 nan 8.150 nan 0.000 0.444 52 T N -0.267 114.291 114.554 0.005 0.000 2.674 52 T HA -0.130 4.259 4.350 0.064 0.000 0.265 52 T C 1.892 176.592 174.700 -0.001 0.000 1.039 52 T CA 1.617 63.718 62.100 0.003 0.000 1.150 52 T CB -0.552 68.318 68.868 0.004 0.000 0.864 52 T HN 0.143 nan 8.240 nan 0.000 0.427 53 V N 1.939 121.853 119.914 -0.000 0.000 2.324 53 V HA -0.241 3.918 4.120 0.064 0.000 0.250 53 V C 2.371 178.462 176.094 -0.005 0.000 1.060 53 V CA 2.193 64.491 62.300 -0.003 0.000 1.042 53 V CB -0.714 31.107 31.823 -0.002 0.000 0.650 53 V HN 0.532 nan 8.190 nan 0.000 0.450 54 D N -0.393 120.005 120.400 -0.004 0.000 2.182 54 D HA -0.218 4.460 4.640 0.064 0.000 0.201 54 D C 2.214 178.512 176.300 -0.005 0.000 0.986 54 D CA 1.441 55.439 54.000 -0.004 0.000 0.847 54 D CB -0.113 40.686 40.800 -0.002 0.000 0.942 54 D HN 0.428 nan 8.370 nan 0.000 0.467 55 K N 0.114 120.512 120.400 -0.004 0.000 2.044 55 K HA -0.069 4.289 4.320 0.064 0.000 0.204 55 K C 2.158 178.754 176.600 -0.006 0.000 1.049 55 K CA 1.323 57.608 56.287 -0.004 0.000 0.945 55 K CB -0.184 32.315 32.500 -0.003 0.000 0.724 55 K HN 0.393 nan 8.250 nan 0.000 0.440 56 I N -2.505 118.060 120.570 -0.008 0.000 3.728 56 I HA 0.205 4.413 4.170 0.064 0.000 0.307 56 I C 1.917 178.025 176.117 -0.014 0.000 1.276 56 I CA 0.487 61.781 61.300 -0.010 0.000 1.285 56 I CB 0.168 38.162 38.000 -0.011 0.000 1.038 56 I HN -0.044 nan 8.210 nan 0.000 0.445 57 A N 2.243 125.055 122.820 -0.014 0.000 1.978 57 A HA -0.195 4.163 4.320 0.064 0.000 0.220 57 A C 2.406 179.977 177.584 -0.021 0.000 1.170 57 A CA 2.368 54.394 52.037 -0.018 0.000 0.636 57 A CB -1.398 17.593 19.000 -0.016 0.000 0.810 57 A HN 0.649 nan 8.150 nan 0.000 0.448 58 T N -2.615 111.929 114.554 -0.016 0.000 3.113 58 T HA 0.004 4.393 4.350 0.064 0.000 0.263 58 T C 0.893 175.582 174.700 -0.019 0.000 1.143 58 T CA 1.221 63.312 62.100 -0.017 0.000 1.090 58 T CB -0.061 68.800 68.868 -0.012 0.000 0.922 58 T HN 0.447 nan 8.240 nan 0.000 0.521 59 E N 0.431 120.619 120.200 -0.020 0.000 2.498 59 E HA 0.305 4.694 4.350 0.064 0.000 0.203 59 E C 1.644 178.222 176.600 -0.036 0.000 1.013 59 E CA -0.098 56.289 56.400 -0.022 0.000 0.927 59 E CB 0.085 29.778 29.700 -0.012 0.000 1.012 59 E HN 0.508 nan 8.360 nan 0.000 0.482 60 L N 2.142 123.338 121.223 -0.044 0.000 2.549 60 L HA -0.113 4.265 4.340 0.064 0.000 0.229 60 L C 1.990 178.803 176.870 -0.095 0.000 1.158 60 L CA 0.554 55.355 54.840 -0.064 0.000 0.842 60 L CB -0.429 41.596 42.059 -0.057 0.000 0.952 60 L HN 0.156 nan 8.230 nan 0.000 0.452 61 N N 0.048 118.698 118.700 -0.083 0.000 2.331 61 N HA -0.114 4.665 4.740 0.064 0.000 0.180 61 N C 0.789 176.215 175.510 -0.140 0.000 1.019 61 N CA 0.560 53.548 53.050 -0.104 0.000 0.881 61 N CB -0.043 38.403 38.487 -0.067 0.000 0.972 61 N HN 0.150 nan 8.380 nan 0.000 0.435 62 R N 0.634 121.075 120.500 -0.100 0.000 2.490 62 R HA 0.164 4.542 4.340 0.064 0.000 0.278 62 R C -0.255 175.960 176.300 -0.142 0.000 1.069 62 R CA -0.655 55.398 56.100 -0.078 0.000 1.080 62 R CB -0.063 30.235 30.300 -0.004 0.000 1.030 62 R HN 0.173 nan 8.270 nan 0.000 0.491 63 Y N 2.435 122.648 120.300 -0.145 0.000 2.683 63 Y HA -0.012 4.569 4.550 0.051 0.000 0.340 63 Y C -1.046 174.815 175.900 -0.064 0.000 1.245 63 Y CA -0.264 57.700 58.100 -0.227 0.000 1.485 63 Y CB -0.296 37.798 38.460 -0.611 0.000 1.328 63 Y HN 0.436 nan 8.280 nan 0.000 0.603 64 P HA -0.037 nan 4.420 nan 0.000 0.274 64 P C -0.551 176.892 177.300 0.239 0.000 1.256 64 P CA -0.457 62.734 63.100 0.152 0.000 0.795 64 P CB 0.571 32.339 31.700 0.113 0.000 1.038 65 E N 1.360 121.641 120.200 0.136 0.000 2.383 65 E HA -0.085 4.303 4.350 0.064 0.000 0.257 65 E C 1.244 177.912 176.600 0.114 0.000 1.079 65 E CA 0.203 56.674 56.400 0.119 0.000 0.934 65 E CB 0.121 29.854 29.700 0.054 0.000 0.978 65 E HN 0.337 nan 8.360 nan 0.000 0.462 66 R N 3.581 124.157 120.500 0.127 0.000 2.105 66 R HA -0.162 4.216 4.340 0.064 0.000 0.239 66 R C 0.300 176.618 176.300 0.029 0.000 1.135 66 R CA 1.611 57.714 56.100 0.005 0.000 0.967 66 R CB 0.325 30.496 30.300 -0.216 0.000 0.861 66 R HN 0.406 nan 8.270 nan 0.000 0.442 67 D N -0.612 119.817 120.400 0.050 0.000 2.349 67 D HA 0.141 4.820 4.640 0.064 0.000 0.214 67 D C 0.134 176.433 176.300 -0.001 0.000 1.063 67 D CA 0.720 54.777 54.000 0.096 0.000 0.847 67 D CB 0.762 41.636 40.800 0.124 0.000 0.933 67 D HN 0.268 nan 8.370 nan 0.000 0.513 68 A N 0.356 123.142 122.820 -0.056 0.000 2.511 68 A HA -0.236 4.122 4.320 0.064 0.000 0.297 68 A C 1.749 179.283 177.584 -0.083 0.000 1.476 68 A CA 0.427 52.397 52.037 -0.112 0.000 0.757 68 A CB -1.945 16.916 19.000 -0.231 0.000 1.072 68 A HN 0.191 nan 8.150 nan 0.000 0.413 69 V N -0.326 119.570 119.914 -0.031 0.000 2.307 69 V HA -0.241 3.917 4.120 0.064 0.000 0.245 69 V C 2.389 178.464 176.094 -0.033 0.000 1.045 69 V CA 2.662 64.954 62.300 -0.012 0.000 1.024 69 V CB -0.331 31.499 31.823 0.010 0.000 0.651 69 V HN 0.914 nan 8.190 nan 0.000 0.449 70 E N -0.239 119.937 120.200 -0.040 0.000 2.072 70 E HA -0.253 4.135 4.350 0.064 0.000 0.191 70 E C 2.194 178.747 176.600 -0.077 0.000 0.985 70 E CA 1.494 57.865 56.400 -0.048 0.000 0.801 70 E CB -0.145 29.530 29.700 -0.041 0.000 0.750 70 E HN 0.436 nan 8.360 nan 0.000 0.452 71 L N 1.372 122.532 121.223 -0.104 0.000 2.042 71 L HA -0.165 4.213 4.340 0.064 0.000 0.210 71 L C 2.222 178.992 176.870 -0.167 0.000 1.076 71 L CA 1.800 56.550 54.840 -0.151 0.000 0.749 71 L CB -0.353 41.598 42.059 -0.180 0.000 0.893 71 L HN 0.002 nan 8.230 nan 0.000 0.432 72 R N -0.428 119.987 120.500 -0.141 0.000 2.092 72 R HA -0.126 4.252 4.340 0.064 0.000 0.231 72 R C 1.965 178.219 176.300 -0.077 0.000 1.119 72 R CA 1.263 57.290 56.100 -0.121 0.000 0.970 72 R CB -0.490 29.765 30.300 -0.075 0.000 0.864 72 R HN 0.440 nan 8.270 nan 0.000 0.440 73 D N 0.560 120.927 120.400 -0.054 0.000 2.116 73 D HA -0.170 4.508 4.640 0.064 0.000 0.193 73 D C 1.786 178.061 176.300 -0.043 0.000 0.998 73 D CA 1.254 55.233 54.000 -0.034 0.000 0.836 73 D CB 0.012 40.795 40.800 -0.028 0.000 0.951 73 D HN 0.190 nan 8.370 nan 0.000 0.449 74 E N 0.209 120.367 120.200 -0.071 0.000 2.112 74 E HA -0.008 4.381 4.350 0.064 0.000 0.190 74 E C 2.591 179.148 176.600 -0.072 0.000 0.979 74 E CA 0.043 56.402 56.400 -0.068 0.000 0.814 74 E CB -0.300 29.343 29.700 -0.096 0.000 0.762 74 E HN 0.343 nan 8.360 nan 0.000 0.460 75 L N 0.783 121.908 121.223 -0.163 0.000 2.079 75 L HA -0.176 4.203 4.340 0.064 0.000 0.210 75 L C 2.520 179.364 176.870 -0.043 0.000 1.081 75 L CA 1.306 56.010 54.840 -0.227 0.000 0.752 75 L CB -0.568 41.187 42.059 -0.506 0.000 0.896 75 L HN 0.061 nan 8.230 nan 0.000 0.433 76 A N -0.063 122.739 122.820 -0.029 0.000 1.902 76 A HA -0.140 4.218 4.320 0.064 0.000 0.217 76 A C 2.535 180.139 177.584 0.033 0.000 1.181 76 A CA 1.650 53.700 52.037 0.022 0.000 0.623 76 A CB -0.679 18.331 19.000 0.018 0.000 0.818 76 A HN 0.395 nan 8.150 nan 0.000 0.443 77 A N -1.399 121.438 122.820 0.029 0.000 1.933 77 A HA -0.081 4.277 4.320 0.064 0.000 0.218 77 A C 2.128 179.745 177.584 0.054 0.000 1.175 77 A CA 1.660 53.716 52.037 0.030 0.000 0.628 77 A CB -0.766 18.248 19.000 0.024 0.000 0.814 77 A HN 0.789 nan 8.150 nan 0.000 0.444 78 Y N 0.500 120.796 120.300 -0.007 0.000 2.133 78 Y HA -0.164 4.426 4.550 0.068 0.000 0.287 78 Y C 1.985 177.918 175.900 0.055 0.000 1.134 78 Y CA 1.553 59.673 58.100 0.034 0.000 1.133 78 Y CB -0.188 38.315 38.460 0.072 0.000 0.987 78 Y HN 0.208 nan 8.280 nan 0.000 0.502 79 I N 0.200 120.720 120.570 -0.084 0.000 2.286 79 I HA -0.284 3.924 4.170 0.064 0.000 0.248 79 I C 2.184 178.219 176.117 -0.135 0.000 1.115 79 I CA 1.863 63.087 61.300 -0.126 0.000 1.392 79 I CB -1.609 36.469 38.000 0.129 0.000 1.065 79 I HN 0.316 nan 8.210 nan 0.000 0.418 80 T N 0.780 115.291 114.554 -0.071 0.000 2.652 80 T HA -0.259 4.129 4.350 0.064 0.000 0.267 80 T C 2.003 176.647 174.700 -0.094 0.000 1.039 80 T CA 1.838 63.906 62.100 -0.054 0.000 1.153 80 T CB -0.182 68.672 68.868 -0.023 0.000 0.863 80 T HN 0.313 nan 8.240 nan 0.000 0.428 81 K N 0.461 120.786 120.400 -0.126 0.000 2.057 81 K HA -0.170 4.189 4.320 0.064 0.000 0.206 81 K C 2.499 178.989 176.600 -0.184 0.000 1.050 81 K CA 1.468 57.679 56.287 -0.128 0.000 0.935 81 K CB -0.108 32.332 32.500 -0.101 0.000 0.715 81 K HN 0.180 nan 8.250 nan 0.000 0.439 82 Q N 0.489 120.084 119.800 -0.341 0.000 2.119 82 Q HA -0.102 4.276 4.340 0.064 0.000 0.201 82 Q C 1.649 177.527 176.000 -0.205 0.000 0.972 82 Q CA 2.454 58.033 55.803 -0.372 0.000 0.847 82 Q CB -0.213 28.043 28.738 -0.804 0.000 0.903 82 Q HN 0.451 nan 8.270 nan 0.000 0.433 83 T N -5.154 109.303 114.554 -0.162 0.000 2.990 83 T HA 0.394 4.783 4.350 0.064 0.000 0.250 83 T C 1.377 176.048 174.700 -0.049 0.000 1.041 83 T CA 0.491 62.545 62.100 -0.078 0.000 1.010 83 T CB 0.379 69.224 68.868 -0.039 0.000 1.003 83 T HN 0.544 nan 8.240 nan 0.000 0.499 84 G N 0.839 109.605 108.800 -0.055 0.000 2.176 84 G HA2 -0.219 3.780 3.960 0.064 0.000 0.253 84 G HA3 -0.219 3.780 3.960 0.064 0.000 0.253 84 G C 0.027 174.917 174.900 -0.017 0.000 0.979 84 G CA 0.039 45.119 45.100 -0.033 0.000 0.641 84 G HN 0.765 nan 8.290 nan 0.000 0.530 85 V N 1.508 121.415 119.914 -0.012 0.000 2.347 85 V HA 0.730 4.888 4.120 0.064 0.000 0.280 85 V C 0.875 176.976 176.094 0.011 0.000 1.021 85 V CA -0.418 61.887 62.300 0.008 0.000 0.847 85 V CB 1.322 33.159 31.823 0.023 0.000 0.990 85 V HN 1.121 nan 8.190 nan 0.000 0.444 86 A N 6.006 128.834 122.820 0.013 0.000 2.515 86 A HA 0.534 4.892 4.320 0.064 0.000 0.263 86 A C 0.011 177.614 177.584 0.031 0.000 1.096 86 A CA 0.038 52.084 52.037 0.016 0.000 0.769 86 A CB -0.227 18.781 19.000 0.014 0.000 1.040 86 A HN 1.303 nan 8.150 nan 0.000 0.505 87 V N 0.876 120.811 119.914 0.034 0.000 2.962 87 V HA 0.932 5.090 4.120 0.064 0.000 0.313 87 V C 0.016 176.136 176.094 0.043 0.000 1.099 87 V CA -0.067 62.263 62.300 0.050 0.000 0.971 87 V CB 1.414 33.280 31.823 0.071 0.000 1.028 87 V HN 1.144 nan 8.190 nan 0.000 0.430 88 T N -0.238 114.345 114.554 0.049 0.000 2.905 88 T HA 0.484 4.872 4.350 0.064 0.000 0.283 88 T C 1.066 175.794 174.700 0.046 0.000 1.031 88 T CA -0.169 61.955 62.100 0.040 0.000 1.002 88 T CB 1.704 70.596 68.868 0.039 0.000 1.200 88 T HN 1.043 nan 8.240 nan 0.000 0.560 89 R N 0.210 120.732 120.500 0.036 0.000 2.159 89 R HA -0.081 4.298 4.340 0.064 0.000 0.237 89 R C 0.807 177.149 176.300 0.070 0.000 1.131 89 R CA 1.742 57.865 56.100 0.038 0.000 0.982 89 R CB -0.866 29.450 30.300 0.027 0.000 0.868 89 R HN 0.511 nan 8.270 nan 0.000 0.453 90 D N 0.585 121.030 120.400 0.075 0.000 2.310 90 D HA -0.060 4.619 4.640 0.064 0.000 0.212 90 D C 0.852 177.226 176.300 0.122 0.000 0.965 90 D CA 0.721 54.778 54.000 0.094 0.000 0.879 90 D CB -0.093 40.754 40.800 0.077 0.000 0.921 90 D HN 0.362 nan 8.370 nan 0.000 0.510 91 N N -0.328 118.444 118.700 0.119 0.000 2.325 91 N HA 0.042 4.820 4.740 0.064 0.000 0.182 91 N C -0.060 175.542 175.510 0.153 0.000 1.088 91 N CA 0.079 53.223 53.050 0.156 0.000 0.879 91 N CB 1.143 39.713 38.487 0.138 0.000 0.983 91 N HN 0.152 nan 8.380 nan 0.000 0.471 92 L N -0.168 121.112 121.223 0.095 0.000 2.334 92 L HA 0.454 4.833 4.340 0.064 0.000 0.273 92 L C -0.792 176.083 176.870 0.008 0.000 1.013 92 L CA -0.447 54.410 54.840 0.028 0.000 0.816 92 L CB 2.244 44.312 42.059 0.015 0.000 1.278 92 L HN 0.041 nan 8.230 nan 0.000 0.431 93 W N 3.483 124.500 121.300 -0.472 0.000 3.042 93 W HA 0.765 5.469 4.660 0.073 0.000 0.337 93 W C -1.482 174.901 176.519 -0.226 0.000 1.086 93 W CA -0.907 56.168 57.345 -0.450 0.000 1.236 93 W CB 2.040 30.989 29.460 -0.852 0.000 1.381 93 W HN 0.612 nan 8.180 nan 0.000 0.472 94 A N 3.397 125.740 122.820 -0.795 0.000 2.325 94 A HA 0.954 5.313 4.320 0.064 0.000 0.333 94 A C -1.033 176.268 177.584 -0.471 0.000 1.155 94 A CA -0.134 51.619 52.037 -0.474 0.000 0.814 94 A CB 1.505 20.291 19.000 -0.355 0.000 1.206 94 A HN 1.056 nan 8.150 nan 0.000 0.482 95 A N 1.030 123.804 122.820 -0.076 0.000 2.533 95 A HA 0.659 5.017 4.320 0.064 0.000 0.293 95 A C -0.729 176.912 177.584 0.095 0.000 1.228 95 A CA -0.826 51.304 52.037 0.156 0.000 0.689 95 A CB 0.604 19.775 19.000 0.285 0.000 1.303 95 A HN 0.696 nan 8.150 nan 0.000 0.444 96 N N 1.301 120.088 118.700 0.146 0.000 2.671 96 N HA 0.394 5.172 4.740 0.064 0.000 0.274 96 N C 0.462 176.025 175.510 0.088 0.000 1.188 96 N CA 1.452 54.553 53.050 0.086 0.000 1.065 96 N CB -0.113 38.426 38.487 0.087 0.000 1.415 96 N HN 1.449 nan 8.380 nan 0.000 0.511 97 G N 0.576 109.424 108.800 0.081 0.000 2.755 97 G HA2 -0.258 3.741 3.960 0.064 0.000 0.686 97 G HA3 -0.258 3.741 3.960 0.064 0.000 0.686 97 G C 0.773 175.738 174.900 0.109 0.000 1.427 97 G CA -0.386 44.763 45.100 0.082 0.000 0.873 97 G HN 0.333 nan 8.290 nan 0.000 0.580 98 S N 0.343 116.101 115.700 0.097 0.000 2.402 98 S HA -0.185 4.323 4.470 0.064 0.000 0.233 98 S C 2.156 176.844 174.600 0.146 0.000 1.030 98 S CA 1.939 60.212 58.200 0.122 0.000 1.003 98 S CB -0.365 62.889 63.200 0.089 0.000 0.813 98 S HN 0.684 nan 8.310 nan 0.000 0.477 99 N N 0.743 119.512 118.700 0.115 0.000 2.036 99 N HA -0.206 4.572 4.740 0.064 0.000 0.195 99 N C 1.933 177.503 175.510 0.101 0.000 1.037 99 N CA 1.512 54.614 53.050 0.085 0.000 0.855 99 N CB -0.120 38.382 38.487 0.026 0.000 1.033 99 N HN 0.519 nan 8.380 nan 0.000 0.423 100 E N 0.418 120.690 120.200 0.120 0.000 2.158 100 E HA -0.090 4.298 4.350 0.064 0.000 0.191 100 E C 1.837 178.557 176.600 0.200 0.000 0.982 100 E CA 0.390 56.877 56.400 0.145 0.000 0.823 100 E CB 0.224 30.019 29.700 0.159 0.000 0.766 100 E HN 0.238 nan 8.360 nan 0.000 0.468 101 I N 1.276 121.987 120.570 0.235 0.000 2.127 101 I HA -0.293 3.915 4.170 0.064 0.000 0.241 101 I C 2.380 178.664 176.117 0.278 0.000 1.075 101 I CA 1.328 62.827 61.300 0.332 0.000 1.334 101 I CB -0.920 37.292 38.000 0.353 0.000 1.040 101 I HN 0.305 nan 8.210 nan 0.000 0.405 102 L N -0.204 121.150 121.223 0.219 0.000 2.141 102 L HA -0.199 4.180 4.340 0.064 0.000 0.209 102 L C 2.612 179.589 176.870 0.177 0.000 1.094 102 L CA 0.925 55.887 54.840 0.204 0.000 0.763 102 L CB -0.598 41.594 42.059 0.223 0.000 0.908 102 L HN 0.358 nan 8.230 nan 0.000 0.437 103 Q N 0.215 120.103 119.800 0.147 0.000 2.084 103 Q HA -0.258 4.121 4.340 0.064 0.000 0.202 103 Q C 2.223 178.296 176.000 0.120 0.000 0.978 103 Q CA 1.650 57.520 55.803 0.112 0.000 0.844 103 Q CB 0.040 28.828 28.738 0.084 0.000 0.898 103 Q HN 0.545 nan 8.270 nan 0.000 0.426 104 Q N -0.031 119.861 119.800 0.152 0.000 2.084 104 Q HA -0.137 4.242 4.340 0.064 0.000 0.202 104 Q C 2.181 178.269 176.000 0.146 0.000 0.978 104 Q CA 1.333 57.222 55.803 0.145 0.000 0.844 104 Q CB 0.008 28.870 28.738 0.208 0.000 0.898 104 Q HN 0.401 nan 8.270 nan 0.000 0.426 105 L N -0.042 121.291 121.223 0.183 0.000 2.093 105 L HA -0.172 4.207 4.340 0.064 0.000 0.208 105 L C 2.136 179.145 176.870 0.231 0.000 1.085 105 L CA 0.731 55.705 54.840 0.224 0.000 0.755 105 L CB -0.216 41.893 42.059 0.083 0.000 0.904 105 L HN 0.233 nan 8.230 nan 0.000 0.435 106 L N -0.929 120.391 121.223 0.160 0.000 2.093 106 L HA -0.199 4.180 4.340 0.064 0.000 0.208 106 L C 2.650 179.577 176.870 0.095 0.000 1.085 106 L CA 1.128 56.051 54.840 0.139 0.000 0.755 106 L CB -0.362 41.783 42.059 0.142 0.000 0.904 106 L HN 0.291 nan 8.230 nan 0.000 0.435 107 Q N -0.469 119.372 119.800 0.069 0.000 2.084 107 Q HA -0.181 4.198 4.340 0.064 0.000 0.202 107 Q C 2.312 178.283 176.000 -0.047 0.000 0.978 107 Q CA 1.708 57.525 55.803 0.023 0.000 0.844 107 Q CB -0.218 28.531 28.738 0.018 0.000 0.898 107 Q HN 0.569 nan 8.270 nan 0.000 0.426 108 A N -0.886 121.872 122.820 -0.103 0.000 2.030 108 A HA 0.029 4.388 4.320 0.064 0.000 0.215 108 A C 1.079 178.284 177.584 -0.631 0.000 1.164 108 A CA 0.644 52.449 52.037 -0.387 0.000 0.697 108 A CB 0.133 18.823 19.000 -0.517 0.000 0.827 108 A HN 0.328 nan 8.150 nan 0.000 0.457 109 F N -1.917 118.029 119.950 -0.005 0.000 2.798 109 F HA 0.363 4.927 4.527 0.060 0.000 0.328 109 F C 1.456 177.244 175.800 -0.020 0.000 1.098 109 F CA 0.006 57.998 58.000 -0.013 0.000 1.172 109 F CB 0.429 39.426 39.000 -0.004 0.000 1.072 109 F HN 0.251 nan 8.300 nan 0.000 0.555 110 G N -0.688 108.185 108.800 0.122 0.000 3.356 110 G HA2 0.596 4.594 3.960 0.064 0.000 0.178 110 G HA3 0.596 4.594 3.960 0.064 0.000 0.178 110 G C 0.282 175.220 174.900 0.062 0.000 1.175 110 G CA -0.124 45.029 45.100 0.087 0.000 0.840 110 G HN 0.511 nan 8.290 nan 0.000 0.658 111 G N -0.972 107.875 108.800 0.079 0.000 2.660 111 G HA2 0.042 4.040 3.960 0.064 0.000 0.247 111 G HA3 0.042 4.040 3.960 0.064 0.000 0.247 111 G C -3.025 171.925 174.900 0.083 0.000 1.328 111 G CA -0.335 44.816 45.100 0.085 0.000 0.884 111 G HN 0.660 nan 8.290 nan 0.000 0.531 112 P HA 0.312 nan 4.420 nan 0.000 0.260 112 P C 1.121 178.437 177.300 0.027 0.000 1.172 112 P CA 2.435 65.562 63.100 0.046 0.000 0.760 112 P CB 0.377 32.075 31.700 -0.004 0.000 0.773 113 G N 2.371 111.188 108.800 0.028 0.000 2.205 113 G HA2 -0.261 3.737 3.960 0.064 0.000 0.261 113 G HA3 -0.261 3.737 3.960 0.064 0.000 0.261 113 G C 0.318 175.231 174.900 0.021 0.000 0.980 113 G CA -0.239 44.872 45.100 0.018 0.000 0.632 113 G HN 0.557 nan 8.290 nan 0.000 0.533 114 R N 0.116 120.635 120.500 0.032 0.000 2.782 114 R HA 0.728 5.107 4.340 0.064 0.000 0.258 114 R C -0.037 176.286 176.300 0.038 0.000 1.055 114 R CA 0.135 56.253 56.100 0.031 0.000 1.065 114 R CB 1.385 31.706 30.300 0.036 0.000 1.172 114 R HN 0.398 nan 8.270 nan 0.000 0.510 115 T N -2.211 112.356 114.554 0.022 0.000 2.909 115 T HA 0.748 5.136 4.350 0.064 0.000 0.299 115 T C -0.886 173.810 174.700 -0.006 0.000 1.073 115 T CA -0.950 61.158 62.100 0.013 0.000 0.999 115 T CB 2.073 70.930 68.868 -0.019 0.000 1.098 115 T HN 0.649 nan 8.240 nan 0.000 0.477 116 A N 2.061 124.890 122.820 0.016 0.000 2.374 116 A HA 0.890 5.248 4.320 0.064 0.000 0.317 116 A C -1.126 176.352 177.584 -0.177 0.000 1.094 116 A CA -0.989 51.048 52.037 -0.000 0.000 0.765 116 A CB 1.494 20.663 19.000 0.283 0.000 1.268 116 A HN 1.079 nan 8.150 nan 0.000 0.438 117 L N 1.468 122.540 121.223 -0.252 0.000 2.385 117 L HA 0.842 5.221 4.340 0.064 0.000 0.273 117 L C 0.039 176.629 176.870 -0.466 0.000 0.990 117 L CA -0.069 54.487 54.840 -0.475 0.000 0.821 117 L CB 2.120 43.962 42.059 -0.362 0.000 1.279 117 L HN 0.933 nan 8.230 nan 0.000 0.412 118 G N 2.428 110.842 108.800 -0.642 0.000 2.672 118 G HA2 0.573 4.571 3.960 0.064 0.000 0.292 118 G HA3 0.573 4.571 3.960 0.064 0.000 0.292 118 G C -1.780 172.849 174.900 -0.452 0.000 1.375 118 G CA -0.494 44.370 45.100 -0.392 0.000 0.890 118 G HN 0.319 nan 8.290 nan 0.000 0.476 119 F N 1.463 121.522 119.950 0.181 0.000 2.291 119 F HA 0.381 4.947 4.527 0.065 0.000 0.368 119 F C 0.666 176.550 175.800 0.140 0.000 1.085 119 F CA -1.003 57.069 58.000 0.121 0.000 1.165 119 F CB 1.244 40.302 39.000 0.095 0.000 1.429 119 F HN 0.038 nan 8.300 nan 0.000 0.503 120 Q N 4.168 124.122 119.800 0.256 0.000 2.340 120 Q HA 0.253 4.632 4.340 0.064 0.000 0.249 120 Q C -2.370 173.740 176.000 0.183 0.000 0.957 120 Q CA -1.932 53.993 55.803 0.205 0.000 0.882 120 Q CB 0.886 29.736 28.738 0.188 0.000 1.235 120 Q HN 0.248 nan 8.270 nan 0.000 0.439 121 P HA 0.141 nan 4.420 nan 0.000 0.282 121 P C -0.572 176.773 177.300 0.075 0.000 1.274 121 P CA 0.111 63.282 63.100 0.119 0.000 0.770 121 P CB 1.256 33.023 31.700 0.112 0.000 0.867 122 S N 2.675 118.419 115.700 0.073 0.000 2.971 122 S HA 0.358 4.866 4.470 0.064 0.000 0.320 122 S C -1.040 173.557 174.600 -0.005 0.000 1.111 122 S CA -0.826 57.411 58.200 0.063 0.000 0.870 122 S CB 0.248 63.552 63.200 0.172 0.000 1.331 122 S HN 0.408 nan 8.310 nan 0.000 0.635 123 Y N 2.313 122.460 120.300 -0.255 0.000 2.721 123 Y HA -0.016 4.569 4.550 0.057 0.000 0.329 123 Y C 1.871 177.534 175.900 -0.394 0.000 1.211 123 Y CA 0.580 58.439 58.100 -0.402 0.000 1.512 123 Y CB 0.589 38.634 38.460 -0.691 0.000 1.249 123 Y HN 0.807 nan 8.280 nan 0.000 0.549 124 S N 4.471 119.898 115.700 -0.455 0.000 2.407 124 S HA -0.266 4.243 4.470 0.064 0.000 0.235 124 S C 1.536 175.743 174.600 -0.656 0.000 1.036 124 S CA 1.493 59.424 58.200 -0.449 0.000 1.013 124 S CB -0.146 62.927 63.200 -0.211 0.000 0.820 124 S HN 0.806 nan 8.310 nan 0.000 0.476 125 M N 1.174 120.063 119.600 -1.184 0.000 2.419 125 M HA 0.106 4.624 4.480 0.064 0.000 0.264 125 M C 1.897 177.859 176.300 -0.562 0.000 1.082 125 M CA 0.979 55.748 55.300 -0.885 0.000 1.119 125 M CB -1.515 30.480 32.600 -1.009 0.000 1.398 125 M HN 0.535 nan 8.290 nan 0.000 0.453 126 H N 0.521 119.190 119.070 -0.670 0.000 2.267 126 H HA -0.121 4.472 4.556 0.061 0.000 0.297 126 H C -0.544 174.332 175.328 -0.754 0.000 1.080 126 H CA 1.464 57.057 56.048 -0.758 0.000 1.278 126 H CB -1.294 27.894 29.762 -0.957 0.000 1.365 126 H HN 0.254 nan 8.280 nan 0.000 0.489 127 P HA -0.152 nan 4.420 nan 0.000 0.216 127 P C 1.432 178.466 177.300 -0.444 0.000 1.150 127 P CA 1.405 63.896 63.100 -1.015 0.000 0.837 127 P CB -0.079 30.971 31.700 -1.083 0.000 0.786 128 I N -1.029 119.323 120.570 -0.363 0.000 2.315 128 I HA -0.189 4.020 4.170 0.064 0.000 0.248 128 I C 2.537 178.545 176.117 -0.182 0.000 1.117 128 I CA 1.136 62.296 61.300 -0.234 0.000 1.404 128 I CB -0.517 37.347 38.000 -0.226 0.000 1.071 128 I HN -0.130 nan 8.210 nan 0.000 0.419 129 L N 0.374 121.486 121.223 -0.186 0.000 2.109 129 L HA -0.116 4.262 4.340 0.064 0.000 0.207 129 L C 2.885 179.729 176.870 -0.042 0.000 1.086 129 L CA 1.049 55.831 54.840 -0.096 0.000 0.760 129 L CB -0.697 41.330 42.059 -0.054 0.000 0.910 129 L HN 0.194 nan 8.230 nan 0.000 0.437 130 A N 0.406 123.209 122.820 -0.029 0.000 1.873 130 A HA -0.302 4.056 4.320 0.064 0.000 0.218 130 A C 2.386 179.976 177.584 0.010 0.000 1.193 130 A CA 2.287 54.365 52.037 0.067 0.000 0.629 130 A CB -0.520 18.585 19.000 0.176 0.000 0.826 130 A HN 0.319 nan 8.150 nan 0.000 0.447 131 K N -0.939 119.432 120.400 -0.049 0.000 2.057 131 K HA -0.103 4.256 4.320 0.064 0.000 0.207 131 K C 2.043 178.541 176.600 -0.170 0.000 1.049 131 K CA 1.341 57.585 56.287 -0.072 0.000 0.931 131 K CB -0.564 31.891 32.500 -0.075 0.000 0.714 131 K HN 0.411 nan 8.250 nan 0.000 0.440 132 G N -0.200 108.505 108.800 -0.158 0.000 2.450 132 G HA2 -0.258 3.741 3.960 0.064 0.000 0.220 132 G HA3 -0.258 3.741 3.960 0.064 0.000 0.220 132 G C 1.337 176.065 174.900 -0.286 0.000 1.130 132 G CA 1.506 46.487 45.100 -0.199 0.000 0.760 132 G HN 0.538 nan 8.290 nan 0.000 0.557 133 T N -3.257 111.189 114.554 -0.181 0.000 3.163 133 T HA 0.174 4.563 4.350 0.064 0.000 0.252 133 T C 0.893 175.575 174.700 -0.031 0.000 1.056 133 T CA 0.291 62.334 62.100 -0.096 0.000 0.947 133 T CB -0.320 68.559 68.868 0.017 0.000 1.016 133 T HN 0.523 nan 8.240 nan 0.000 0.554 134 H N 0.219 119.310 119.070 0.034 0.000 2.820 134 H HA -0.121 4.475 4.556 0.066 0.000 0.295 134 H C -0.504 174.851 175.328 0.045 0.000 1.187 134 H CA 1.139 57.206 56.048 0.033 0.000 1.144 134 H CB -2.579 27.196 29.762 0.022 0.000 1.354 134 H HN 0.470 nan 8.280 nan 0.000 0.395 135 T N 0.834 115.461 114.554 0.122 0.000 2.837 135 T HA 0.293 4.681 4.350 0.064 0.000 0.285 135 T C 0.674 175.456 174.700 0.136 0.000 0.984 135 T CA -0.686 61.488 62.100 0.124 0.000 1.049 135 T CB 2.529 71.477 68.868 0.133 0.000 0.947 135 T HN 0.284 nan 8.240 nan 0.000 0.472 136 E N 2.019 122.291 120.200 0.119 0.000 2.289 136 E HA 0.278 4.666 4.350 0.064 0.000 0.278 136 E C -1.196 175.501 176.600 0.162 0.000 1.032 136 E CA -0.498 55.973 56.400 0.119 0.000 0.854 136 E CB 0.467 30.208 29.700 0.068 0.000 1.046 136 E HN 0.459 nan 8.360 nan 0.000 0.409 137 F N 5.406 125.374 119.950 0.030 0.000 2.420 137 F HA 0.444 5.011 4.527 0.066 0.000 0.342 137 F C -0.738 175.072 175.800 0.016 0.000 1.113 137 F CA -0.725 57.294 58.000 0.032 0.000 1.059 137 F CB 0.735 39.749 39.000 0.024 0.000 1.128 137 F HN 0.365 nan 8.300 nan 0.000 0.475 138 I N 5.931 126.060 120.570 -0.734 0.000 2.382 138 I HA 0.430 4.639 4.170 0.064 0.000 0.286 138 I C -0.466 175.238 176.117 -0.688 0.000 1.002 138 I CA -0.811 60.190 61.300 -0.499 0.000 1.135 138 I CB 1.510 39.327 38.000 -0.304 0.000 1.288 138 I HN 0.727 nan 8.210 nan 0.000 0.448 139 A N 6.997 129.637 122.820 -0.299 0.000 2.276 139 A HA 0.654 5.012 4.320 0.064 0.000 0.300 139 A C -0.410 177.146 177.584 -0.047 0.000 1.235 139 A CA -0.367 51.605 52.037 -0.107 0.000 0.867 139 A CB 0.555 19.631 19.000 0.125 0.000 1.137 139 A HN 0.470 nan 8.150 nan 0.000 0.527 140 V N 3.172 123.078 119.914 -0.012 0.000 2.370 140 V HA 0.255 4.413 4.120 0.064 0.000 0.283 140 V C 0.429 176.621 176.094 0.164 0.000 1.023 140 V CA -0.476 61.882 62.300 0.097 0.000 0.857 140 V CB 1.560 33.507 31.823 0.207 0.000 0.985 140 V HN 0.903 nan 8.190 nan 0.000 0.443 141 S N 5.589 121.355 115.700 0.109 0.000 2.510 141 S HA 0.327 4.835 4.470 0.064 0.000 0.279 141 S C 0.508 175.159 174.600 0.085 0.000 1.284 141 S CA -0.460 57.794 58.200 0.090 0.000 1.059 141 S CB 0.273 63.498 63.200 0.041 0.000 0.901 141 S HN 0.633 nan 8.310 nan 0.000 0.491 142 R N 1.192 121.745 120.500 0.089 0.000 2.893 142 R HA 0.317 4.696 4.340 0.064 0.000 0.279 142 R C 1.268 177.538 176.300 -0.050 0.000 1.076 142 R CA 0.034 56.157 56.100 0.038 0.000 1.203 142 R CB 0.100 30.447 30.300 0.079 0.000 1.137 142 R HN 0.720 nan 8.270 nan 0.000 0.541 143 G N -0.801 107.956 108.800 -0.072 0.000 2.563 143 G HA2 0.305 4.304 3.960 0.064 0.000 0.283 143 G HA3 0.305 4.304 3.960 0.064 0.000 0.283 143 G C 0.574 175.345 174.900 -0.216 0.000 1.309 143 G CA 0.022 45.060 45.100 -0.104 0.000 1.022 143 G HN 0.614 nan 8.290 nan 0.000 0.501 144 A N -0.485 122.231 122.820 -0.174 0.000 2.067 144 A HA 0.003 4.362 4.320 0.064 0.000 0.219 144 A C 1.788 179.259 177.584 -0.188 0.000 1.158 144 A CA 1.996 53.900 52.037 -0.222 0.000 0.661 144 A CB -0.279 18.663 19.000 -0.097 0.000 0.801 144 A HN 0.612 nan 8.150 nan 0.000 0.452 145 D N -2.809 117.557 120.400 -0.057 0.000 2.340 145 D HA 0.048 4.726 4.640 0.064 0.000 0.220 145 D C 0.336 176.783 176.300 0.245 0.000 1.039 145 D CA -0.132 53.930 54.000 0.102 0.000 0.866 145 D CB -0.688 40.163 40.800 0.085 0.000 0.913 145 D HN 0.346 nan 8.370 nan 0.000 0.523 146 F N -0.674 119.302 119.950 0.043 0.000 2.748 146 F HA -0.279 4.287 4.527 0.064 0.000 0.370 146 F C 0.747 176.558 175.800 0.018 0.000 0.620 146 F CA 0.497 58.518 58.000 0.035 0.000 1.233 146 F CB -1.564 37.465 39.000 0.048 0.000 1.708 146 F HN 0.001 nan 8.300 nan 0.000 0.298 147 R N 0.628 121.205 120.500 0.130 0.000 2.543 147 R HA 0.612 4.991 4.340 0.064 0.000 0.268 147 R C 0.387 176.692 176.300 0.009 0.000 1.067 147 R CA -1.008 55.131 56.100 0.065 0.000 1.142 147 R CB 0.796 31.121 30.300 0.041 0.000 1.110 147 R HN 0.093 nan 8.270 nan 0.000 0.549 148 I N 1.648 122.192 120.570 -0.043 0.000 2.668 148 I HA -0.123 4.085 4.170 0.064 0.000 0.285 148 I C 0.648 176.686 176.117 -0.133 0.000 1.168 148 I CA 0.476 61.685 61.300 -0.151 0.000 1.424 148 I CB 0.144 37.933 38.000 -0.353 0.000 1.377 148 I HN 0.407 nan 8.210 nan 0.000 0.560 149 D N 8.173 128.504 120.400 -0.115 0.000 2.402 149 D HA 0.038 4.717 4.640 0.064 0.000 0.235 149 D C 1.002 177.234 176.300 -0.114 0.000 1.226 149 D CA -0.358 53.591 54.000 -0.086 0.000 0.918 149 D CB 0.904 41.674 40.800 -0.051 0.000 1.043 149 D HN 0.416 nan 8.370 nan 0.000 0.506 150 M N 2.572 122.105 119.600 -0.113 0.000 2.108 150 M HA -0.166 4.353 4.480 0.064 0.000 0.261 150 M C 1.112 177.368 176.300 -0.074 0.000 1.066 150 M CA 1.324 56.555 55.300 -0.115 0.000 1.107 150 M CB -0.655 31.892 32.600 -0.088 0.000 1.356 150 M HN 0.339 nan 8.290 nan 0.000 0.406 151 D N -0.115 120.255 120.400 -0.049 0.000 2.097 151 D HA -0.128 4.550 4.640 0.064 0.000 0.195 151 D C 2.125 178.413 176.300 -0.020 0.000 0.989 151 D CA 1.084 55.067 54.000 -0.029 0.000 0.827 151 D CB -0.349 40.439 40.800 -0.021 0.000 0.966 151 D HN 0.193 nan 8.370 nan 0.000 0.456 152 V N 0.228 120.130 119.914 -0.019 0.000 2.548 152 V HA -0.086 4.073 4.120 0.064 0.000 0.249 152 V C 2.007 178.113 176.094 0.019 0.000 1.055 152 V CA 1.757 64.058 62.300 0.002 0.000 1.065 152 V CB -0.378 31.450 31.823 0.008 0.000 0.681 152 V HN 0.181 nan 8.190 nan 0.000 0.462 153 A N 0.250 123.062 122.820 -0.014 0.000 1.851 153 A HA -0.188 4.170 4.320 0.064 0.000 0.216 153 A C 2.137 179.753 177.584 0.053 0.000 1.195 153 A CA 2.326 54.370 52.037 0.011 0.000 0.622 153 A CB -0.772 18.080 19.000 -0.246 0.000 0.831 153 A HN 0.550 nan 8.150 nan 0.000 0.444 154 L N -0.844 120.379 121.223 -0.000 0.000 2.046 154 L HA -0.217 4.161 4.340 0.064 0.000 0.208 154 L C 2.696 179.577 176.870 0.018 0.000 1.077 154 L CA 1.828 56.673 54.840 0.009 0.000 0.747 154 L CB -0.562 41.490 42.059 -0.010 0.000 0.896 154 L HN 0.642 nan 8.230 nan 0.000 0.432 155 E N 0.387 120.596 120.200 0.014 0.000 2.058 155 E HA -0.296 4.093 4.350 0.064 0.000 0.194 155 E C 2.030 178.643 176.600 0.020 0.000 0.997 155 E CA 1.588 57.996 56.400 0.014 0.000 0.801 155 E CB 0.134 29.840 29.700 0.010 0.000 0.746 155 E HN 0.332 nan 8.360 nan 0.000 0.450 156 E N 0.236 120.457 120.200 0.036 0.000 2.152 156 E HA -0.065 4.324 4.350 0.064 0.000 0.192 156 E C 1.919 178.535 176.600 0.026 0.000 0.983 156 E CA 0.701 57.121 56.400 0.034 0.000 0.818 156 E CB -0.023 29.709 29.700 0.053 0.000 0.758 156 E HN 0.359 nan 8.360 nan 0.000 0.467 157 I N -0.063 120.534 120.570 0.045 0.000 2.142 157 I HA -0.274 3.934 4.170 0.064 0.000 0.240 157 I C 2.408 178.530 176.117 0.008 0.000 1.078 157 I CA 1.086 62.402 61.300 0.026 0.000 1.343 157 I CB -0.233 37.795 38.000 0.047 0.000 1.046 157 I HN 0.015 nan 8.210 nan 0.000 0.405 158 R N 0.657 121.164 120.500 0.011 0.000 2.103 158 R HA -0.219 4.159 4.340 0.064 0.000 0.242 158 R C 2.409 178.710 176.300 0.002 0.000 1.142 158 R CA 1.839 57.942 56.100 0.005 0.000 0.960 158 R CB -0.496 29.808 30.300 0.006 0.000 0.858 158 R HN 0.437 nan 8.270 nan 0.000 0.439 159 A N 0.750 123.571 122.820 0.002 0.000 1.873 159 A HA -0.115 4.244 4.320 0.064 0.000 0.215 159 A C 1.772 179.353 177.584 -0.006 0.000 1.186 159 A CA 1.233 53.269 52.037 -0.001 0.000 0.616 159 A CB -0.066 18.935 19.000 0.001 0.000 0.823 159 A HN 0.051 nan 8.150 nan 0.000 0.442 160 K N -0.996 119.397 120.400 -0.012 0.000 2.323 160 K HA 0.053 4.412 4.320 0.064 0.000 0.197 160 K C -0.226 176.361 176.600 -0.022 0.000 1.043 160 K CA 0.198 56.473 56.287 -0.020 0.000 0.997 160 K CB 0.143 32.622 32.500 -0.035 0.000 0.807 160 K HN 0.462 nan 8.250 nan 0.000 0.497 161 Q N 0.642 120.431 119.800 -0.019 0.000 2.453 161 Q HA -0.131 4.247 4.340 0.064 0.000 0.350 161 Q C -2.386 173.596 176.000 -0.029 0.000 1.447 161 Q CA 0.473 56.264 55.803 -0.019 0.000 0.968 161 Q CB -1.786 26.945 28.738 -0.011 0.000 1.175 161 Q HN 0.306 nan 8.270 nan 0.000 0.354 162 P HA 0.103 nan 4.420 nan 0.000 0.281 162 P C 0.489 177.752 177.300 -0.062 0.000 1.252 162 P CA -0.182 62.878 63.100 -0.066 0.000 0.778 162 P CB 0.812 32.450 31.700 -0.104 0.000 0.895 163 D N 1.986 122.358 120.400 -0.048 0.000 2.144 163 D HA -0.036 4.642 4.640 0.064 0.000 0.199 163 D C 0.780 177.035 176.300 -0.075 0.000 0.984 163 D CA 1.467 55.449 54.000 -0.031 0.000 0.834 163 D CB 0.329 41.133 40.800 0.005 0.000 0.955 163 D HN 0.415 nan 8.370 nan 0.000 0.465 164 I N 0.710 121.198 120.570 -0.136 0.000 2.608 164 I HA 0.216 4.425 4.170 0.064 0.000 0.295 164 I C -0.642 175.272 176.117 -0.339 0.000 1.049 164 I CA -0.787 60.346 61.300 -0.279 0.000 1.063 164 I CB 3.002 40.774 38.000 -0.380 0.000 1.248 164 I HN -0.378 nan 8.210 nan 0.000 0.424 165 V N 5.621 125.305 119.914 -0.383 0.000 2.495 165 V HA 0.418 4.577 4.120 0.064 0.000 0.298 165 V C -0.716 175.131 176.094 -0.412 0.000 1.031 165 V CA -0.552 61.547 62.300 -0.335 0.000 0.871 165 V CB 1.758 33.489 31.823 -0.154 0.000 0.988 165 V HN 0.388 nan 8.190 nan 0.000 0.432 166 F N 3.626 123.457 119.950 -0.197 0.000 2.410 166 F HA 0.598 5.162 4.527 0.061 0.000 0.349 166 F C 0.085 175.900 175.800 0.025 0.000 1.117 166 F CA -0.608 57.314 58.000 -0.129 0.000 1.104 166 F CB 1.774 40.686 39.000 -0.146 0.000 1.122 166 F HN 0.172 nan 8.300 nan 0.000 0.483 167 V N 2.910 123.008 119.914 0.307 0.000 2.376 167 V HA 0.322 4.480 4.120 0.064 0.000 0.287 167 V C -0.381 175.898 176.094 0.308 0.000 1.015 167 V CA -0.762 61.759 62.300 0.368 0.000 0.834 167 V CB 1.582 33.563 31.823 0.263 0.000 1.001 167 V HN 0.733 nan 8.190 nan 0.000 0.428 168 T N 2.903 117.662 114.554 0.342 0.000 2.744 168 T HA 0.559 4.948 4.350 0.064 0.000 0.291 168 T C 0.037 174.869 174.700 0.220 0.000 0.957 168 T CA -0.317 61.957 62.100 0.290 0.000 1.002 168 T CB 1.244 70.293 68.868 0.301 0.000 0.919 168 T HN 0.737 nan 8.240 nan 0.000 0.468 169 T N 4.439 119.106 114.554 0.190 0.000 3.293 169 T HA 0.448 4.836 4.350 0.064 0.000 0.320 169 T C -2.964 171.835 174.700 0.165 0.000 0.995 169 T CA -1.644 60.548 62.100 0.154 0.000 1.041 169 T CB 0.981 69.915 68.868 0.111 0.000 1.058 169 T HN 0.160 nan 8.240 nan 0.000 0.453 170 P HA 0.178 nan 4.420 nan 0.000 0.267 170 P C -0.443 176.976 177.300 0.198 0.000 1.200 170 P CA -0.259 62.924 63.100 0.138 0.000 0.772 170 P CB 0.389 32.126 31.700 0.063 0.000 0.855 171 N N 2.156 120.937 118.700 0.136 0.000 2.530 171 N HA 0.091 4.870 4.740 0.064 0.000 0.273 171 N C -0.455 175.158 175.510 0.172 0.000 1.173 171 N CA -0.098 53.041 53.050 0.148 0.000 0.967 171 N CB -0.041 38.505 38.487 0.098 0.000 1.109 171 N HN 0.250 nan 8.380 nan 0.000 0.453 172 N N 2.922 121.681 118.700 0.100 0.000 2.417 172 N HA 0.432 5.210 4.740 0.064 0.000 0.274 172 N C -2.433 172.978 175.510 -0.164 0.000 0.987 172 N CA -2.105 50.872 53.050 -0.122 0.000 0.912 172 N CB 1.840 40.245 38.487 -0.136 0.000 1.177 172 N HN 0.382 nan 8.380 nan 0.000 0.490 173 P HA 0.166 nan 4.420 nan 0.000 0.274 173 P C 0.656 177.642 177.300 -0.523 0.000 1.352 173 P CA 0.201 62.964 63.100 -0.563 0.000 0.947 173 P CB 0.324 31.658 31.700 -0.610 0.000 1.437 174 T N -4.811 109.494 114.554 -0.415 0.000 3.009 174 T HA 0.291 4.679 4.350 0.064 0.000 0.258 174 T C 1.653 176.333 174.700 -0.033 0.000 1.063 174 T CA 1.201 63.065 62.100 -0.393 0.000 1.139 174 T CB -0.872 67.826 68.868 -0.284 0.000 0.890 174 T HN 0.163 nan 8.240 nan 0.000 0.471 175 G N 2.339 111.168 108.800 0.047 0.000 2.179 175 G HA2 -0.168 3.831 3.960 0.064 0.000 0.220 175 G HA3 -0.168 3.831 3.960 0.064 0.000 0.220 175 G C -0.298 174.538 174.900 -0.105 0.000 0.990 175 G CA 0.007 45.028 45.100 -0.131 0.000 0.646 175 G HN 0.898 nan 8.290 nan 0.000 0.517 176 D N 0.811 121.203 120.400 -0.015 0.000 2.256 176 D HA 0.422 5.101 4.640 0.064 0.000 0.250 176 D C 0.281 176.597 176.300 0.026 0.000 1.093 176 D CA -0.582 53.423 54.000 0.009 0.000 0.882 176 D CB 2.425 43.249 40.800 0.040 0.000 1.185 176 D HN 0.084 nan 8.370 nan 0.000 0.437 177 V N 2.441 122.368 119.914 0.022 0.000 2.455 177 V HA 0.077 4.235 4.120 0.064 0.000 0.273 177 V C 0.740 176.852 176.094 0.030 0.000 1.045 177 V CA -0.145 62.176 62.300 0.035 0.000 0.976 177 V CB 1.010 32.850 31.823 0.029 0.000 0.993 177 V HN 0.601 nan 8.190 nan 0.000 0.475 178 T N 4.684 119.259 114.554 0.035 0.000 2.761 178 T HA 0.213 4.601 4.350 0.064 0.000 0.296 178 T C 0.534 175.240 174.700 0.010 0.000 0.934 178 T CA -0.238 61.870 62.100 0.013 0.000 1.091 178 T CB 0.643 69.516 68.868 0.009 0.000 0.896 178 T HN 0.945 nan 8.240 nan 0.000 0.515 179 S N 4.083 119.782 115.700 -0.001 0.000 2.568 179 S HA 0.144 4.652 4.470 0.064 0.000 0.282 179 S C 1.559 176.159 174.600 0.000 0.000 1.338 179 S CA -0.753 57.448 58.200 0.003 0.000 1.045 179 S CB 0.251 63.451 63.200 -0.001 0.000 0.873 179 S HN 0.635 nan 8.310 nan 0.000 0.516 180 L N 0.854 122.082 121.223 0.008 0.000 2.191 180 L HA -0.122 4.257 4.340 0.064 0.000 0.212 180 L C 1.937 178.808 176.870 0.003 0.000 1.103 180 L CA 1.308 56.153 54.840 0.008 0.000 0.769 180 L CB -0.708 41.363 42.059 0.021 0.000 0.908 180 L HN 0.675 nan 8.230 nan 0.000 0.438 181 D N 0.035 120.437 120.400 0.004 0.000 2.117 181 D HA -0.177 4.501 4.640 0.064 0.000 0.197 181 D C 1.780 178.070 176.300 -0.015 0.000 0.987 181 D CA 1.172 55.174 54.000 0.003 0.000 0.829 181 D CB -0.149 40.654 40.800 0.005 0.000 0.961 181 D HN 0.299 nan 8.370 nan 0.000 0.460 182 D N -0.050 120.334 120.400 -0.026 0.000 2.224 182 D HA -0.053 4.626 4.640 0.064 0.000 0.205 182 D C 2.256 178.518 176.300 -0.062 0.000 0.965 182 D CA 0.218 54.189 54.000 -0.048 0.000 0.852 182 D CB 0.213 40.979 40.800 -0.058 0.000 0.947 182 D HN 0.071 nan 8.370 nan 0.000 0.494 183 V N 1.765 121.648 119.914 -0.051 0.000 2.261 183 V HA -0.220 3.938 4.120 0.064 0.000 0.246 183 V C 2.401 178.424 176.094 -0.118 0.000 1.047 183 V CA 1.516 63.778 62.300 -0.064 0.000 1.015 183 V CB -0.443 31.355 31.823 -0.042 0.000 0.642 183 V HN 0.169 nan 8.190 nan 0.000 0.446 184 E N 0.158 120.292 120.200 -0.110 0.000 2.086 184 E HA -0.303 4.085 4.350 0.064 0.000 0.200 184 E C 2.437 178.949 176.600 -0.146 0.000 1.012 184 E CA 1.789 58.092 56.400 -0.161 0.000 0.812 184 E CB -0.277 29.422 29.700 -0.001 0.000 0.743 184 E HN 0.558 nan 8.360 nan 0.000 0.453 185 R N 0.295 120.752 120.500 -0.071 0.000 2.091 185 R HA -0.108 4.271 4.340 0.064 0.000 0.238 185 R C 2.510 178.773 176.300 -0.062 0.000 1.136 185 R CA 1.174 57.245 56.100 -0.048 0.000 0.959 185 R CB -0.311 29.967 30.300 -0.037 0.000 0.856 185 R HN 0.220 nan 8.270 nan 0.000 0.437 186 I N 0.577 121.102 120.570 -0.075 0.000 2.226 186 I HA -0.276 3.933 4.170 0.064 0.000 0.245 186 I C 2.191 178.260 176.117 -0.079 0.000 1.100 186 I CA 1.360 62.632 61.300 -0.047 0.000 1.374 186 I CB -0.252 37.742 38.000 -0.010 0.000 1.057 186 I HN 0.139 nan 8.210 nan 0.000 0.413 187 I N 0.751 121.215 120.570 -0.178 0.000 2.286 187 I HA -0.302 3.907 4.170 0.064 0.000 0.248 187 I C 1.904 177.914 176.117 -0.178 0.000 1.115 187 I CA 1.721 62.860 61.300 -0.268 0.000 1.392 187 I CB -0.591 37.030 38.000 -0.631 0.000 1.065 187 I HN 0.282 nan 8.210 nan 0.000 0.418 188 N N 0.030 118.655 118.700 -0.125 0.000 2.331 188 N HA -0.120 4.659 4.740 0.064 0.000 0.180 188 N C 1.749 177.264 175.510 0.009 0.000 1.019 188 N CA 1.212 54.264 53.050 0.003 0.000 0.881 188 N CB 0.160 38.678 38.487 0.052 0.000 0.972 188 N HN 0.315 nan 8.380 nan 0.000 0.435 189 V N -2.335 117.573 119.914 -0.011 0.000 2.725 189 V HA 0.337 4.495 4.120 0.064 0.000 0.247 189 V C 0.923 177.014 176.094 -0.006 0.000 1.058 189 V CA 0.008 62.307 62.300 -0.001 0.000 1.080 189 V CB -0.934 30.890 31.823 0.002 0.000 0.713 189 V HN 0.107 nan 8.190 nan 0.000 0.465 190 A N 2.995 125.803 122.820 -0.020 0.000 2.524 190 A HA 0.399 4.757 4.320 0.064 0.000 0.250 190 A C -0.579 176.992 177.584 -0.022 0.000 1.078 190 A CA -0.187 51.832 52.037 -0.030 0.000 0.761 190 A CB -0.126 18.840 19.000 -0.058 0.000 1.012 190 A HN 0.472 nan 8.150 nan 0.000 0.500 191 P HA 0.050 nan 4.420 nan 0.000 0.224 191 P C 1.178 178.474 177.300 -0.007 0.000 1.159 191 P CA 1.415 64.510 63.100 -0.007 0.000 0.824 191 P CB 0.308 32.004 31.700 -0.006 0.000 0.833 192 G N 1.157 109.943 108.800 -0.023 0.000 3.348 192 G HA2 0.443 4.442 3.960 0.064 0.000 0.180 192 G HA3 0.443 4.442 3.960 0.064 0.000 0.180 192 G C 0.341 175.209 174.900 -0.052 0.000 1.915 192 G CA -0.227 44.862 45.100 -0.018 0.000 0.937 192 G HN 0.278 nan 8.290 nan 0.000 0.564 193 I N -1.983 118.518 120.570 -0.116 0.000 2.910 193 I HA 0.768 4.976 4.170 0.064 0.000 0.310 193 I C -1.229 174.742 176.117 -0.243 0.000 1.043 193 I CA -1.111 60.073 61.300 -0.194 0.000 1.053 193 I CB 2.444 40.238 38.000 -0.344 0.000 1.242 193 I HN 0.119 nan 8.210 nan 0.000 0.452 194 V N 5.072 124.829 119.914 -0.261 0.000 2.444 194 V HA 0.433 4.591 4.120 0.064 0.000 0.294 194 V C -0.061 175.848 176.094 -0.309 0.000 1.022 194 V CA -0.357 61.786 62.300 -0.260 0.000 0.850 194 V CB 1.529 33.243 31.823 -0.181 0.000 0.992 194 V HN 0.522 nan 8.190 nan 0.000 0.426 195 I N 5.254 125.613 120.570 -0.352 0.000 2.307 195 I HA 0.311 4.519 4.170 0.064 0.000 0.289 195 I C -0.251 175.812 176.117 -0.091 0.000 1.021 195 I CA -0.560 60.573 61.300 -0.278 0.000 1.224 195 I CB 1.587 39.386 38.000 -0.335 0.000 1.376 195 I HN 0.290 nan 8.210 nan 0.000 0.470 196 V N 5.470 125.351 119.914 -0.056 0.000 2.353 196 V HA 0.088 4.247 4.120 0.064 0.000 0.264 196 V C 0.233 176.366 176.094 0.065 0.000 1.049 196 V CA -0.415 61.904 62.300 0.032 0.000 0.896 196 V CB 0.973 32.803 31.823 0.012 0.000 1.025 196 V HN 0.614 nan 8.190 nan 0.000 0.475 197 D N 4.788 125.274 120.400 0.144 0.000 2.374 197 D HA 0.095 4.774 4.640 0.064 0.000 0.240 197 D C 0.515 176.876 176.300 0.102 0.000 1.229 197 D CA -0.061 54.025 54.000 0.145 0.000 0.895 197 D CB 0.782 41.749 40.800 0.277 0.000 1.046 197 D HN 0.622 nan 8.370 nan 0.000 0.498 198 E N 2.779 123.004 120.200 0.041 0.000 2.434 198 E HA 0.182 4.570 4.350 0.064 0.000 0.243 198 E C 1.107 177.690 176.600 -0.029 0.000 1.250 198 E CA -0.416 56.008 56.400 0.040 0.000 1.568 198 E CB 0.708 30.430 29.700 0.037 0.000 1.435 198 E HN 0.518 nan 8.360 nan 0.000 0.432 199 A N 0.248 122.989 122.820 -0.131 0.000 1.948 199 A HA -0.194 4.164 4.320 0.064 0.000 0.220 199 A C 1.061 178.365 177.584 -0.467 0.000 1.177 199 A CA 1.334 53.135 52.037 -0.395 0.000 0.636 199 A CB -0.353 18.230 19.000 -0.696 0.000 0.815 199 A HN 0.379 nan 8.150 nan 0.000 0.449 200 Y N -1.340 119.060 120.300 0.166 0.000 2.720 200 Y HA 0.527 5.118 4.550 0.068 0.000 0.277 200 Y C 1.978 178.020 175.900 0.236 0.000 1.144 200 Y CA -0.402 57.877 58.100 0.299 0.000 1.221 200 Y CB -0.525 38.082 38.460 0.244 0.000 1.163 200 Y HN 0.271 nan 8.280 nan 0.000 0.537 201 A N 0.333 123.274 122.820 0.202 0.000 1.883 201 A HA -0.239 4.120 4.320 0.064 0.000 0.217 201 A C 1.933 179.569 177.584 0.087 0.000 1.186 201 A CA 2.020 54.136 52.037 0.131 0.000 0.624 201 A CB -0.283 18.767 19.000 0.083 0.000 0.822 201 A HN 0.425 nan 8.150 nan 0.000 0.444 202 E N -0.856 119.351 120.200 0.011 0.000 2.267 202 E HA -0.153 4.236 4.350 0.064 0.000 0.197 202 E C 1.196 177.656 176.600 -0.233 0.000 0.998 202 E CA 1.118 57.423 56.400 -0.158 0.000 0.830 202 E CB -0.377 29.127 29.700 -0.326 0.000 0.751 202 E HN 0.724 nan 8.360 nan 0.000 0.491 203 F N -0.355 119.628 119.950 0.056 0.000 2.780 203 F HA 0.133 4.697 4.527 0.061 0.000 0.299 203 F C 0.964 176.764 175.800 -0.001 0.000 1.146 203 F CA 0.208 58.224 58.000 0.026 0.000 1.428 203 F CB 0.363 39.380 39.000 0.028 0.000 1.115 203 F HN -0.230 nan 8.300 nan 0.000 0.583 204 S N -0.040 115.741 115.700 0.133 0.000 2.482 204 S HA 0.383 4.891 4.470 0.064 0.000 0.303 204 S C -1.796 172.826 174.600 0.037 0.000 1.091 204 S CA -1.521 56.726 58.200 0.078 0.000 1.057 204 S CB 1.345 64.590 63.200 0.075 0.000 1.031 204 S HN -0.180 nan 8.310 nan 0.000 0.485 205 P HA 0.116 nan 4.420 nan 0.000 0.233 205 P C 0.072 177.378 177.300 0.009 0.000 1.167 205 P CA 0.255 63.361 63.100 0.009 0.000 0.770 205 P CB 0.013 31.717 31.700 0.008 0.000 0.837 206 S N 1.698 117.408 115.700 0.017 0.000 2.576 206 S HA 0.198 4.706 4.470 0.064 0.000 0.272 206 S C -1.956 172.654 174.600 0.017 0.000 1.352 206 S CA -0.696 57.515 58.200 0.017 0.000 1.021 206 S CB -0.561 62.653 63.200 0.023 0.000 0.887 206 S HN 0.156 nan 8.310 nan 0.000 0.542 207 P HA 0.152 nan 4.420 nan 0.000 0.274 207 P C -0.415 176.898 177.300 0.022 0.000 1.231 207 P CA -0.350 62.758 63.100 0.014 0.000 0.790 207 P CB 0.646 32.355 31.700 0.014 0.000 0.951 208 S N 0.935 116.647 115.700 0.021 0.000 2.592 208 S HA 0.317 4.825 4.470 0.064 0.000 0.271 208 S C 1.515 176.135 174.600 0.033 0.000 1.326 208 S CA -0.027 58.192 58.200 0.031 0.000 1.024 208 S CB 0.118 63.337 63.200 0.031 0.000 0.921 208 S HN 0.491 nan 8.310 nan 0.000 0.527 209 A N 2.781 125.622 122.820 0.035 0.000 2.259 209 A HA 0.012 4.371 4.320 0.064 0.000 0.212 209 A C 2.108 179.717 177.584 0.041 0.000 1.178 209 A CA 1.621 53.677 52.037 0.032 0.000 0.734 209 A CB -1.443 17.568 19.000 0.019 0.000 0.774 209 A HN 1.086 nan 8.150 nan 0.000 0.481 210 T N -1.947 112.634 114.554 0.046 0.000 2.833 210 T HA -0.206 4.182 4.350 0.064 0.000 0.269 210 T C 1.815 176.548 174.700 0.055 0.000 1.054 210 T CA 2.056 64.190 62.100 0.056 0.000 1.135 210 T CB -1.365 67.539 68.868 0.060 0.000 0.869 210 T HN 0.654 nan 8.240 nan 0.000 0.466 211 T N 0.812 115.394 114.554 0.046 0.000 2.929 211 T HA 0.118 4.506 4.350 0.064 0.000 0.271 211 T C 1.746 176.485 174.700 0.065 0.000 1.085 211 T CA 0.638 62.766 62.100 0.046 0.000 1.125 211 T CB -0.674 68.215 68.868 0.035 0.000 0.874 211 T HN 0.461 nan 8.240 nan 0.000 0.494 212 L N -0.159 121.116 121.223 0.086 0.000 2.592 212 L HA 0.351 4.729 4.340 0.064 0.000 0.227 212 L C 2.156 179.132 176.870 0.176 0.000 1.127 212 L CA -0.012 54.918 54.840 0.150 0.000 0.884 212 L CB -0.402 41.748 42.059 0.151 0.000 1.065 212 L HN 0.232 nan 8.230 nan 0.000 0.457 213 L N -0.002 121.288 121.223 0.112 0.000 2.093 213 L HA -0.183 4.195 4.340 0.064 0.000 0.208 213 L C 2.509 179.437 176.870 0.096 0.000 1.085 213 L CA 1.266 56.171 54.840 0.108 0.000 0.755 213 L CB -0.227 41.885 42.059 0.089 0.000 0.904 213 L HN 0.313 nan 8.230 nan 0.000 0.435 214 E N 0.382 120.620 120.200 0.064 0.000 2.153 214 E HA -0.275 4.114 4.350 0.064 0.000 0.194 214 E C 2.169 178.756 176.600 -0.021 0.000 0.988 214 E CA 1.162 57.578 56.400 0.027 0.000 0.811 214 E CB 0.166 29.875 29.700 0.015 0.000 0.746 214 E HN 0.260 nan 8.360 nan 0.000 0.466 215 K N -0.855 119.513 120.400 -0.055 0.000 2.167 215 K HA -0.078 4.281 4.320 0.064 0.000 0.203 215 K C 0.008 176.313 176.600 -0.493 0.000 1.052 215 K CA 0.805 56.919 56.287 -0.288 0.000 0.956 215 K CB 0.255 32.541 32.500 -0.357 0.000 0.735 215 K HN 0.137 nan 8.250 nan 0.000 0.451 216 Y N 0.058 120.370 120.300 0.019 0.000 2.578 216 Y HA 0.254 4.843 4.550 0.064 0.000 0.317 216 Y C -2.024 173.902 175.900 0.042 0.000 0.940 216 Y CA -2.043 56.069 58.100 0.020 0.000 1.174 216 Y CB 1.039 39.502 38.460 0.005 0.000 1.198 216 Y HN 0.109 nan 8.280 nan 0.000 0.597 217 P HA -0.230 nan 4.420 nan 0.000 0.217 217 P C 1.520 178.952 177.300 0.221 0.000 1.151 217 P CA 2.113 65.306 63.100 0.156 0.000 0.849 217 P CB 0.043 31.799 31.700 0.093 0.000 0.787 218 T N -4.687 109.963 114.554 0.160 0.000 3.129 218 T HA 0.176 4.565 4.350 0.064 0.000 0.251 218 T C 1.578 176.387 174.700 0.182 0.000 1.117 218 T CA 0.417 62.592 62.100 0.125 0.000 1.034 218 T CB -0.182 68.713 68.868 0.045 0.000 0.968 218 T HN 0.129 nan 8.240 nan 0.000 0.526 219 K N -0.759 119.757 120.400 0.192 0.000 2.380 219 K HA 0.379 4.738 4.320 0.064 0.000 0.200 219 K C -0.179 176.388 176.600 -0.055 0.000 1.201 219 K CA -0.336 56.001 56.287 0.084 0.000 0.916 219 K CB 0.416 32.954 32.500 0.064 0.000 1.187 219 K HN 0.196 nan 8.250 nan 0.000 0.498 220 L N 1.872 123.060 121.223 -0.058 0.000 2.289 220 L HA 0.346 4.725 4.340 0.064 0.000 0.285 220 L C -1.119 175.508 176.870 -0.405 0.000 1.049 220 L CA -0.411 54.317 54.840 -0.187 0.000 0.804 220 L CB 1.632 43.655 42.059 -0.059 0.000 1.195 220 L HN -0.254 nan 8.230 nan 0.000 0.428 221 V N 5.646 125.259 119.914 -0.500 0.000 2.577 221 V HA 0.445 4.603 4.120 0.064 0.000 0.303 221 V C -0.666 175.262 176.094 -0.277 0.000 1.042 221 V CA -0.748 61.205 62.300 -0.579 0.000 0.872 221 V CB 2.067 33.310 31.823 -0.966 0.000 0.998 221 V HN 0.462 nan 8.190 nan 0.000 0.423 222 V N 3.727 123.576 119.914 -0.109 0.000 2.328 222 V HA 0.379 4.537 4.120 0.064 0.000 0.278 222 V C 0.512 176.629 176.094 0.038 0.000 1.021 222 V CA -0.210 62.079 62.300 -0.019 0.000 0.838 222 V CB 1.578 33.416 31.823 0.025 0.000 0.999 222 V HN 0.892 nan 8.190 nan 0.000 0.447 223 S N 6.962 122.669 115.700 0.012 0.000 2.523 223 S HA 0.598 5.107 4.470 0.064 0.000 0.275 223 S C -0.183 174.357 174.600 -0.099 0.000 1.281 223 S CA -0.636 57.577 58.200 0.021 0.000 1.050 223 S CB 0.264 63.503 63.200 0.064 0.000 0.937 223 S HN 0.668 nan 8.310 nan 0.000 0.492 224 R N 1.986 122.300 120.500 -0.309 0.000 2.888 224 R HA 0.656 5.035 4.340 0.064 0.000 0.264 224 R C -0.577 175.446 176.300 -0.461 0.000 1.045 224 R CA -0.758 55.036 56.100 -0.509 0.000 0.962 224 R CB 1.225 30.911 30.300 -1.023 0.000 1.210 224 R HN 0.676 nan 8.270 nan 0.000 0.479 225 T N -0.468 113.952 114.554 -0.224 0.000 2.883 225 T HA 0.444 4.833 4.350 0.064 0.000 0.301 225 T C 0.090 174.891 174.700 0.169 0.000 1.158 225 T CA -0.521 61.573 62.100 -0.011 0.000 1.007 225 T CB 1.280 70.126 68.868 -0.036 0.000 1.186 225 T HN 0.484 nan 8.240 nan 0.000 0.499 226 M N 1.833 121.539 119.600 0.177 0.000 2.383 226 M HA 0.262 4.781 4.480 0.064 0.000 0.247 226 M C 0.634 177.088 176.300 0.256 0.000 1.117 226 M CA -0.195 55.213 55.300 0.180 0.000 0.995 226 M CB 0.452 32.999 32.600 -0.089 0.000 1.480 226 M HN 0.367 nan 8.290 nan 0.000 0.485 230 F N 1.869 121.840 119.950 0.034 0.000 2.771 230 F HA 0.190 4.761 4.527 0.073 0.000 0.299 230 F C 1.014 176.877 175.800 0.105 0.000 1.177 230 F CA 1.324 59.333 58.000 0.015 0.000 1.450 230 F CB -0.029 38.952 39.000 -0.033 0.000 1.114 230 F HN 0.431 nan 8.300 nan 0.000 0.587 231 D N -1.550 119.053 120.400 0.338 0.000 2.800 231 D HA -0.311 4.367 4.640 0.064 0.000 0.232 231 D C 0.062 176.584 176.300 0.371 0.000 1.137 231 D CA 0.611 54.792 54.000 0.302 0.000 0.718 231 D CB -1.680 39.277 40.800 0.261 0.000 1.084 231 D HN 0.248 nan 8.370 nan 0.000 0.432 232 F N -1.162 118.858 119.950 0.117 0.000 2.697 232 F HA 0.621 5.184 4.527 0.061 0.000 0.367 232 F C 1.544 177.365 175.800 0.036 0.000 1.300 232 F CA 0.262 58.293 58.000 0.051 0.000 1.121 232 F CB -0.242 38.757 39.000 -0.002 0.000 1.188 232 F HN 0.073 nan 8.300 nan 0.000 0.511 233 A N 0.280 123.133 122.820 0.054 0.000 1.948 233 A HA -0.141 4.217 4.320 0.064 0.000 0.220 233 A C 2.468 179.990 177.584 -0.104 0.000 1.177 233 A CA 2.169 54.209 52.037 0.006 0.000 0.636 233 A CB -1.274 17.749 19.000 0.039 0.000 0.815 233 A HN 0.526 nan 8.150 nan 0.000 0.449 234 G N -1.128 107.547 108.800 -0.208 0.000 2.509 234 G HA2 0.109 4.107 3.960 0.064 0.000 0.218 234 G HA3 0.109 4.107 3.960 0.064 0.000 0.218 234 G C 1.277 175.955 174.900 -0.370 0.000 1.124 234 G CA 1.095 46.043 45.100 -0.253 0.000 0.776 234 G HN 0.749 nan 8.290 nan 0.000 0.547 235 G N -0.160 108.260 108.800 -0.635 0.000 2.777 235 G HA2 0.101 4.100 3.960 0.064 0.000 0.211 235 G HA3 0.101 4.100 3.960 0.064 0.000 0.211 235 G C 0.739 175.556 174.900 -0.138 0.000 1.149 235 G CA -0.365 44.400 45.100 -0.557 0.000 0.785 235 G HN 0.233 nan 8.290 nan 0.000 0.536 236 R N -0.829 119.621 120.500 -0.084 0.000 2.974 236 R HA -0.133 4.245 4.340 0.064 0.000 0.258 236 R C -0.880 175.441 176.300 0.036 0.000 0.892 236 R CA 0.259 56.356 56.100 -0.005 0.000 0.664 236 R CB -2.111 28.182 30.300 -0.011 0.000 1.478 236 R HN 0.301 nan 8.270 nan 0.000 0.498 237 L N 0.865 122.134 121.223 0.077 0.000 2.427 237 L HA 0.598 4.976 4.340 0.064 0.000 0.264 237 L C 0.310 177.252 176.870 0.120 0.000 0.989 237 L CA 0.057 54.944 54.840 0.078 0.000 0.865 237 L CB 1.644 43.747 42.059 0.073 0.000 1.209 237 L HN 0.492 nan 8.230 nan 0.000 0.430 238 G N 3.744 112.619 108.800 0.125 0.000 2.454 238 G HA2 0.654 4.652 3.960 0.064 0.000 0.329 238 G HA3 0.654 4.652 3.960 0.064 0.000 0.329 238 G C -1.681 173.365 174.900 0.243 0.000 1.177 238 G CA -0.337 44.856 45.100 0.155 0.000 0.951 238 G HN 0.591 nan 8.290 nan 0.000 0.485 239 Y N -0.770 119.569 120.300 0.065 0.000 2.638 239 Y HA 0.782 5.365 4.550 0.055 0.000 0.335 239 Y C -1.403 174.613 175.900 0.194 0.000 1.155 239 Y CA -2.530 55.602 58.100 0.054 0.000 1.046 239 Y CB 1.337 39.776 38.460 -0.035 0.000 1.303 239 Y HN 0.793 nan 8.280 nan 0.000 0.460 240 F N -0.153 119.967 119.950 0.283 0.000 2.593 240 F HA 0.905 5.468 4.527 0.061 0.000 0.320 240 F C -1.985 173.969 175.800 0.256 0.000 1.060 240 F CA -1.860 56.238 58.000 0.163 0.000 0.940 240 F CB 1.622 40.683 39.000 0.102 0.000 1.268 240 F HN 0.386 nan 8.300 nan 0.000 0.475 241 V N 2.415 122.621 119.914 0.486 0.000 2.409 241 V HA 0.942 5.100 4.120 0.064 0.000 0.291 241 V C -0.120 176.184 176.094 0.349 0.000 1.020 241 V CA -0.029 62.489 62.300 0.363 0.000 0.848 241 V CB 0.286 32.262 31.823 0.255 0.000 0.990 241 V HN 1.357 nan 8.190 nan 0.000 0.430 242 A N 3.846 126.878 122.820 0.354 0.000 2.493 242 A HA 0.574 4.932 4.320 0.064 0.000 0.300 242 A C -0.676 177.076 177.584 0.280 0.000 1.152 242 A CA -0.733 51.449 52.037 0.242 0.000 0.643 242 A CB 1.058 20.126 19.000 0.113 0.000 1.316 242 A HN 0.647 nan 8.150 nan 0.000 0.469 243 N N 0.130 119.017 118.700 0.313 0.000 2.454 243 N HA 0.121 4.899 4.740 0.064 0.000 0.254 243 N C -1.717 173.977 175.510 0.307 0.000 1.228 243 N CA -0.952 52.267 53.050 0.282 0.000 0.900 243 N CB 1.090 39.739 38.487 0.269 0.000 1.089 243 N HN 0.142 nan 8.380 nan 0.000 0.449 244 P HA -0.147 nan 4.420 nan 0.000 0.218 244 P C 0.728 178.115 177.300 0.145 0.000 1.146 244 P CA 1.293 64.493 63.100 0.167 0.000 0.820 244 P CB 0.086 31.849 31.700 0.106 0.000 0.778 245 A N -1.496 121.387 122.820 0.106 0.000 1.933 245 A HA -0.194 4.164 4.320 0.064 0.000 0.218 245 A C 1.903 179.483 177.584 -0.008 0.000 1.175 245 A CA 1.417 53.452 52.037 -0.004 0.000 0.628 245 A CB -1.728 17.209 19.000 -0.106 0.000 0.814 245 A HN 0.105 nan 8.150 nan 0.000 0.444 246 F N -0.429 119.597 119.950 0.127 0.000 2.234 246 F HA -0.113 4.451 4.527 0.062 0.000 0.299 246 F C 1.972 177.893 175.800 0.202 0.000 1.087 246 F CA 0.947 59.050 58.000 0.172 0.000 1.340 246 F CB -0.361 38.691 39.000 0.085 0.000 1.031 246 F HN 0.110 nan 8.300 nan 0.000 0.500 247 I N 0.285 121.068 120.570 0.355 0.000 2.163 247 I HA -0.287 3.922 4.170 0.064 0.000 0.243 247 I C 1.962 178.013 176.117 -0.111 0.000 1.085 247 I CA 1.423 62.765 61.300 0.070 0.000 1.347 247 I CB -0.973 37.077 38.000 0.082 0.000 1.044 247 I HN 0.027 nan 8.210 nan 0.000 0.408 248 D N 0.495 120.876 120.400 -0.032 0.000 2.178 248 D HA -0.116 4.563 4.640 0.064 0.000 0.201 248 D C 2.286 178.520 176.300 -0.110 0.000 0.980 248 D CA 1.430 55.383 54.000 -0.079 0.000 0.842 248 D CB -0.296 40.475 40.800 -0.048 0.000 0.948 248 D HN 0.360 nan 8.370 nan 0.000 0.472 249 A N 0.753 123.532 122.820 -0.068 0.000 1.877 249 A HA -0.133 4.226 4.320 0.064 0.000 0.216 249 A C 2.439 179.937 177.584 -0.142 0.000 1.186 249 A CA 2.006 53.979 52.037 -0.107 0.000 0.620 249 A CB -0.805 18.190 19.000 -0.008 0.000 0.822 249 A HN 0.236 nan 8.150 nan 0.000 0.443 250 V N -2.820 117.011 119.914 -0.138 0.000 2.667 250 V HA -0.167 3.991 4.120 0.064 0.000 0.252 250 V C 2.175 178.062 176.094 -0.344 0.000 1.065 250 V CA 1.694 63.855 62.300 -0.232 0.000 1.083 250 V CB -1.001 30.647 31.823 -0.291 0.000 0.692 250 V HN 0.472 nan 8.190 nan 0.000 0.468 251 M N 0.051 119.403 119.600 -0.412 0.000 2.346 251 M HA -0.082 4.437 4.480 0.064 0.000 0.263 251 M C 2.113 178.321 176.300 -0.153 0.000 1.064 251 M CA 1.762 56.890 55.300 -0.288 0.000 1.083 251 M CB -0.696 31.767 32.600 -0.229 0.000 1.399 251 M HN 0.410 nan 8.290 nan 0.000 0.435 252 L N -0.397 120.738 121.223 -0.147 0.000 2.240 252 L HA -0.096 4.282 4.340 0.064 0.000 0.211 252 L C 2.262 179.079 176.870 -0.089 0.000 1.106 252 L CA 0.556 55.329 54.840 -0.111 0.000 0.793 252 L CB -0.457 41.525 42.059 -0.127 0.000 0.927 252 L HN 0.242 nan 8.230 nan 0.000 0.446 253 V N -2.717 117.142 119.914 -0.092 0.000 3.523 253 V HA 0.144 4.303 4.120 0.064 0.000 0.255 253 V C 1.088 177.166 176.094 -0.026 0.000 1.226 253 V CA -0.512 61.756 62.300 -0.053 0.000 1.092 253 V CB -0.516 31.277 31.823 -0.050 0.000 0.817 253 V HN 0.373 nan 8.190 nan 0.000 0.458 254 R N 1.655 122.132 120.500 -0.038 0.000 2.679 254 R HA 0.364 4.743 4.340 0.064 0.000 0.268 254 R C -0.226 176.078 176.300 0.007 0.000 1.044 254 R CA -0.231 55.855 56.100 -0.024 0.000 1.105 254 R CB -0.250 30.052 30.300 0.002 0.000 0.989 254 R HN 0.386 nan 8.270 nan 0.000 0.447 255 L N 3.812 125.056 121.223 0.035 0.000 2.410 255 L HA 0.253 4.631 4.340 0.064 0.000 0.273 255 L C -1.820 175.136 176.870 0.142 0.000 1.152 255 L CA -2.039 52.861 54.840 0.099 0.000 0.855 255 L CB 0.624 42.772 42.059 0.148 0.000 1.129 255 L HN 0.537 nan 8.230 nan 0.000 0.463 256 P HA 0.038 nan 4.420 nan 0.000 0.271 256 P C -0.832 176.548 177.300 0.132 0.000 1.216 256 P CA 0.014 63.097 63.100 -0.028 0.000 0.776 256 P CB 0.187 31.790 31.700 -0.162 0.000 0.881 257 Y N -0.562 119.854 120.300 0.193 0.000 4.177 257 Y HA -0.292 4.286 4.550 0.047 0.000 0.227 257 Y C 1.937 177.924 175.900 0.145 0.000 1.154 257 Y CA 1.025 59.221 58.100 0.159 0.000 1.887 257 Y CB -3.074 35.504 38.460 0.197 0.000 1.594 257 Y HN 0.629 nan 8.280 nan 0.000 0.668 258 H N -1.114 118.056 119.070 0.166 0.000 2.518 258 H HA 0.063 4.640 4.556 0.035 0.000 0.289 258 H C 0.491 175.868 175.328 0.082 0.000 1.051 258 H CA 1.121 57.245 56.048 0.128 0.000 1.280 258 H CB 0.218 30.051 29.762 0.120 0.000 1.380 258 H HN 0.363 nan 8.280 nan 0.000 0.566 259 L N 3.020 123.943 121.223 -0.500 0.000 2.298 259 L HA 0.230 4.608 4.340 0.064 0.000 0.284 259 L C 0.042 176.822 176.870 -0.149 0.000 1.013 259 L CA -0.748 53.847 54.840 -0.409 0.000 0.824 259 L CB 1.578 43.251 42.059 -0.642 0.000 1.221 259 L HN 0.354 nan 8.230 nan 0.000 0.418 260 S N 2.936 118.587 115.700 -0.081 0.000 2.593 260 S HA 0.395 4.903 4.470 0.064 0.000 0.269 260 S C 1.466 176.042 174.600 -0.041 0.000 1.334 260 S CA 0.002 58.181 58.200 -0.036 0.000 1.015 260 S CB 1.055 64.237 63.200 -0.030 0.000 0.912 260 S HN 0.792 nan 8.310 nan 0.000 0.541 261 A N 2.080 124.885 122.820 -0.024 0.000 1.917 261 A HA -0.063 4.295 4.320 0.064 0.000 0.219 261 A C 2.161 179.729 177.584 -0.027 0.000 1.182 261 A CA 1.655 53.678 52.037 -0.023 0.000 0.633 261 A CB -1.044 17.944 19.000 -0.021 0.000 0.819 261 A HN 0.862 nan 8.150 nan 0.000 0.448 262 L N -0.820 120.388 121.223 -0.026 0.000 2.072 262 L HA -0.116 4.262 4.340 0.064 0.000 0.205 262 L C 2.867 179.734 176.870 -0.005 0.000 1.079 262 L CA 1.320 56.150 54.840 -0.015 0.000 0.752 262 L CB -0.385 41.663 42.059 -0.017 0.000 0.906 262 L HN 0.357 nan 8.230 nan 0.000 0.436 263 S N -0.477 115.213 115.700 -0.017 0.000 2.368 263 S HA -0.241 4.267 4.470 0.064 0.000 0.225 263 S C 1.880 176.467 174.600 -0.020 0.000 1.030 263 S CA 1.289 59.485 58.200 -0.007 0.000 0.999 263 S CB -0.216 62.961 63.200 -0.038 0.000 0.844 263 S HN 0.442 nan 8.310 nan 0.000 0.459 264 Q N 0.773 120.538 119.800 -0.059 0.000 2.050 264 Q HA -0.073 4.306 4.340 0.064 0.000 0.202 264 Q C 2.584 178.543 176.000 -0.067 0.000 0.980 264 Q CA 1.466 57.219 55.803 -0.083 0.000 0.840 264 Q CB -0.402 28.284 28.738 -0.088 0.000 0.898 264 Q HN 0.599 nan 8.270 nan 0.000 0.424 265 A N 1.127 123.923 122.820 -0.041 0.000 1.877 265 A HA -0.132 4.227 4.320 0.064 0.000 0.216 265 A C 2.304 179.873 177.584 -0.027 0.000 1.186 265 A CA 1.678 53.695 52.037 -0.032 0.000 0.620 265 A CB -0.836 18.154 19.000 -0.017 0.000 0.822 265 A HN 0.405 nan 8.150 nan 0.000 0.443 266 A N -0.199 122.632 122.820 0.018 0.000 1.902 266 A HA 0.183 4.541 4.320 0.064 0.000 0.217 266 A C 2.512 180.067 177.584 -0.048 0.000 1.181 266 A CA 2.071 54.161 52.037 0.088 0.000 0.623 266 A CB -1.028 18.122 19.000 0.250 0.000 0.818 266 A HN 1.057 nan 8.150 nan 0.000 0.443 267 A N -0.069 122.706 122.820 -0.075 0.000 1.902 267 A HA -0.092 4.267 4.320 0.064 0.000 0.217 267 A C 2.106 179.485 177.584 -0.342 0.000 1.181 267 A CA 1.516 53.362 52.037 -0.318 0.000 0.623 267 A CB -0.630 18.246 19.000 -0.206 0.000 0.818 267 A HN 0.492 nan 8.150 nan 0.000 0.443 268 I N -0.461 119.985 120.570 -0.207 0.000 2.208 268 I HA -0.244 3.965 4.170 0.064 0.000 0.245 268 I C 2.351 178.385 176.117 -0.140 0.000 1.097 268 I CA 1.185 62.386 61.300 -0.167 0.000 1.363 268 I CB -0.261 37.676 38.000 -0.106 0.000 1.051 268 I HN 0.172 nan 8.210 nan 0.000 0.413 269 V N 0.868 120.712 119.914 -0.118 0.000 2.261 269 V HA -0.311 3.848 4.120 0.064 0.000 0.246 269 V C 2.724 178.780 176.094 -0.064 0.000 1.047 269 V CA 1.992 64.264 62.300 -0.046 0.000 1.015 269 V CB -1.077 30.724 31.823 -0.037 0.000 0.642 269 V HN 0.507 nan 8.190 nan 0.000 0.446 270 A N -0.102 122.531 122.820 -0.312 0.000 1.873 270 A HA -0.252 4.106 4.320 0.064 0.000 0.218 270 A C 2.227 179.686 177.584 -0.208 0.000 1.193 270 A CA 2.270 54.050 52.037 -0.429 0.000 0.629 270 A CB -0.757 17.578 19.000 -1.107 0.000 0.826 270 A HN 0.502 nan 8.150 nan 0.000 0.447 271 L N -0.350 120.688 121.223 -0.307 0.000 2.081 271 L HA -0.242 4.136 4.340 0.064 0.000 0.212 271 L C 2.716 179.574 176.870 -0.019 0.000 1.080 271 L CA 1.940 56.667 54.840 -0.187 0.000 0.754 271 L CB -0.439 41.471 42.059 -0.249 0.000 0.893 271 L HN 0.625 nan 8.230 nan 0.000 0.433 272 R N -1.382 119.100 120.500 -0.030 0.000 2.313 272 R HA -0.062 4.317 4.340 0.064 0.000 0.199 272 R C 0.603 176.790 176.300 -0.189 0.000 0.958 272 R CA 0.712 56.767 56.100 -0.076 0.000 1.047 272 R CB -0.326 29.911 30.300 -0.105 0.000 0.955 272 R HN 0.379 nan 8.270 nan 0.000 0.481 273 H N 0.405 119.466 119.070 -0.015 0.000 2.486 273 H HA 0.156 4.750 4.556 0.063 0.000 0.284 273 H C 1.355 176.700 175.328 0.028 0.000 1.103 273 H CA 0.309 56.357 56.048 0.001 0.000 1.089 273 H CB 1.110 30.865 29.762 -0.012 0.000 1.603 273 H HN 0.355 nan 8.280 nan 0.000 0.557 274 S N -0.584 115.192 115.700 0.127 0.000 2.402 274 S HA -0.126 4.383 4.470 0.064 0.000 0.229 274 S C 2.345 176.953 174.600 0.013 0.000 1.021 274 S CA 0.676 58.947 58.200 0.118 0.000 0.974 274 S CB -0.075 63.240 63.200 0.193 0.000 0.800 274 S HN 0.415 nan 8.310 nan 0.000 0.484 275 A N 2.112 124.943 122.820 0.018 0.000 1.873 275 A HA -0.086 4.272 4.320 0.064 0.000 0.215 275 A C 1.986 179.557 177.584 -0.022 0.000 1.186 275 A CA 1.765 53.796 52.037 -0.010 0.000 0.616 275 A CB -1.149 17.843 19.000 -0.013 0.000 0.823 275 A HN 0.576 nan 8.150 nan 0.000 0.442 276 D N -1.124 119.277 120.400 0.001 0.000 2.097 276 D HA -0.103 4.576 4.640 0.064 0.000 0.197 276 D C 1.980 178.269 176.300 -0.018 0.000 0.984 276 D CA 1.995 55.995 54.000 0.000 0.000 0.826 276 D CB -0.230 40.595 40.800 0.043 0.000 0.973 276 D HN 0.322 nan 8.370 nan 0.000 0.460 277 T N 0.137 114.696 114.554 0.008 0.000 2.652 277 T HA -0.104 4.285 4.350 0.064 0.000 0.267 277 T C 1.881 176.538 174.700 -0.070 0.000 1.039 277 T CA 0.991 63.091 62.100 0.000 0.000 1.153 277 T CB -0.342 68.565 68.868 0.064 0.000 0.863 277 T HN 0.163 nan 8.240 nan 0.000 0.428 278 L N 0.832 121.973 121.223 -0.136 0.000 2.551 278 L HA 0.134 4.513 4.340 0.064 0.000 0.228 278 L C 2.682 179.466 176.870 -0.142 0.000 1.153 278 L CA 0.301 55.019 54.840 -0.203 0.000 0.851 278 L CB -0.549 41.339 42.059 -0.286 0.000 0.959 278 L HN 0.322 nan 8.230 nan 0.000 0.451 279 G N -0.064 108.673 108.800 -0.104 0.000 2.509 279 G HA2 -0.226 3.772 3.960 0.064 0.000 0.218 279 G HA3 -0.226 3.772 3.960 0.064 0.000 0.218 279 G C 1.665 176.504 174.900 -0.101 0.000 1.124 279 G CA 1.071 46.116 45.100 -0.091 0.000 0.776 279 G HN 0.457 nan 8.290 nan 0.000 0.547 280 T N -0.993 113.490 114.554 -0.119 0.000 2.929 280 T HA -0.084 4.304 4.350 0.064 0.000 0.271 280 T C 2.217 176.944 174.700 0.045 0.000 1.085 280 T CA 1.080 63.111 62.100 -0.115 0.000 1.125 280 T CB -0.240 68.590 68.868 -0.064 0.000 0.874 280 T HN 0.021 nan 8.240 nan 0.000 0.494 281 V N 1.795 121.708 119.914 -0.003 0.000 2.490 281 V HA -0.159 3.999 4.120 0.064 0.000 0.250 281 V C 2.746 178.889 176.094 0.081 0.000 1.061 281 V CA 1.818 64.133 62.300 0.025 0.000 1.064 281 V CB -0.674 31.032 31.823 -0.195 0.000 0.670 281 V HN 0.592 nan 8.190 nan 0.000 0.461 282 E N 0.169 120.383 120.200 0.024 0.000 2.051 282 E HA -0.244 4.145 4.350 0.064 0.000 0.192 282 E C 2.311 178.946 176.600 0.058 0.000 0.991 282 E CA 1.315 57.732 56.400 0.029 0.000 0.799 282 E CB -0.169 29.529 29.700 -0.003 0.000 0.748 282 E HN 0.589 nan 8.360 nan 0.000 0.449 283 K N 0.670 121.108 120.400 0.064 0.000 2.026 283 K HA -0.117 4.241 4.320 0.064 0.000 0.208 283 K C 2.260 178.950 176.600 0.150 0.000 1.048 283 K CA 0.991 57.339 56.287 0.102 0.000 0.929 283 K CB -0.164 32.403 32.500 0.113 0.000 0.713 283 K HN 0.066 nan 8.250 nan 0.000 0.439 284 L N 0.692 122.040 121.223 0.208 0.000 2.083 284 L HA -0.187 4.192 4.340 0.064 0.000 0.209 284 L C 2.341 179.286 176.870 0.124 0.000 1.083 284 L CA 1.027 55.987 54.840 0.201 0.000 0.752 284 L CB -0.288 41.964 42.059 0.322 0.000 0.899 284 L HN 0.116 nan 8.230 nan 0.000 0.433 285 S N -0.787 114.999 115.700 0.144 0.000 2.402 285 S HA -0.109 4.399 4.470 0.064 0.000 0.229 285 S C 1.975 176.602 174.600 0.044 0.000 1.021 285 S CA 1.007 59.263 58.200 0.094 0.000 0.974 285 S CB -0.044 63.224 63.200 0.114 0.000 0.800 285 S HN 0.176 nan 8.310 nan 0.000 0.484 286 V N 1.869 121.813 119.914 0.049 0.000 2.379 286 V HA -0.061 4.098 4.120 0.064 0.000 0.245 286 V C 2.453 178.563 176.094 0.026 0.000 1.044 286 V CA 1.237 63.557 62.300 0.033 0.000 1.036 286 V CB -0.504 31.341 31.823 0.037 0.000 0.664 286 V HN 0.344 nan 8.190 nan 0.000 0.453 287 E N 0.269 120.491 120.200 0.035 0.000 2.110 287 E HA -0.204 4.184 4.350 0.064 0.000 0.193 287 E C 2.325 178.921 176.600 -0.008 0.000 0.988 287 E CA 0.843 57.256 56.400 0.022 0.000 0.804 287 E CB -0.336 29.385 29.700 0.034 0.000 0.745 287 E HN 0.442 nan 8.360 nan 0.000 0.458 288 R N 0.968 121.452 120.500 -0.027 0.000 2.083 288 R HA -0.132 4.247 4.340 0.064 0.000 0.237 288 R C 2.267 178.542 176.300 -0.043 0.000 1.137 288 R CA 1.415 57.475 56.100 -0.067 0.000 0.951 288 R CB -0.412 29.825 30.300 -0.105 0.000 0.851 288 R HN 0.038 nan 8.270 nan 0.000 0.434 289 V N 1.273 121.174 119.914 -0.022 0.000 2.343 289 V HA -0.257 3.901 4.120 0.064 0.000 0.247 289 V C 2.714 178.808 176.094 0.000 0.000 1.051 289 V CA 2.219 64.513 62.300 -0.009 0.000 1.036 289 V CB -0.658 31.166 31.823 0.001 0.000 0.654 289 V HN 0.425 nan 8.190 nan 0.000 0.451 290 R N -0.222 120.282 120.500 0.006 0.000 2.070 290 R HA -0.147 4.232 4.340 0.064 0.000 0.233 290 R C 2.246 178.557 176.300 0.019 0.000 1.137 290 R CA 1.931 58.040 56.100 0.015 0.000 0.945 290 R CB -0.438 29.874 30.300 0.021 0.000 0.845 290 R HN 0.354 nan 8.270 nan 0.000 0.430 291 V N 1.117 121.039 119.914 0.013 0.000 2.287 291 V HA -0.256 3.902 4.120 0.064 0.000 0.248 291 V C 2.480 178.580 176.094 0.011 0.000 1.053 291 V CA 2.037 64.355 62.300 0.030 0.000 1.027 291 V CB -0.783 31.040 31.823 -0.000 0.000 0.646 291 V HN 0.606 nan 8.190 nan 0.000 0.447 292 A N -0.323 122.489 122.820 -0.014 0.000 1.933 292 A HA -0.110 4.248 4.320 0.064 0.000 0.218 292 A C 2.384 179.977 177.584 0.016 0.000 1.175 292 A CA 2.108 54.139 52.037 -0.009 0.000 0.628 292 A CB -0.672 18.322 19.000 -0.009 0.000 0.814 292 A HN 0.583 nan 8.150 nan 0.000 0.444 293 A N -0.286 122.545 122.820 0.018 0.000 1.873 293 A HA -0.089 4.270 4.320 0.064 0.000 0.215 293 A C 2.182 179.786 177.584 0.033 0.000 1.186 293 A CA 1.953 54.006 52.037 0.026 0.000 0.616 293 A CB -0.426 18.586 19.000 0.021 0.000 0.823 293 A HN 0.423 nan 8.150 nan 0.000 0.442 294 R N 0.234 120.754 120.500 0.032 0.000 2.081 294 R HA -0.003 4.376 4.340 0.064 0.000 0.235 294 R C 1.856 178.191 176.300 0.059 0.000 1.131 294 R CA 1.564 57.686 56.100 0.037 0.000 0.960 294 R CB -0.982 29.336 30.300 0.031 0.000 0.856 294 R HN 0.529 nan 8.270 nan 0.000 0.436 295 L N 0.068 121.323 121.223 0.054 0.000 2.046 295 L HA -0.160 4.219 4.340 0.064 0.000 0.208 295 L C 2.361 179.353 176.870 0.203 0.000 1.077 295 L CA 1.804 56.717 54.840 0.122 0.000 0.747 295 L CB -0.496 41.524 42.059 -0.066 0.000 0.896 295 L HN 0.325 nan 8.230 nan 0.000 0.432 296 E N -0.169 120.100 120.200 0.116 0.000 2.077 296 E HA -0.277 4.111 4.350 0.064 0.000 0.193 296 E C 2.100 178.739 176.600 0.065 0.000 0.989 296 E CA 1.221 57.679 56.400 0.097 0.000 0.800 296 E CB -0.012 29.729 29.700 0.068 0.000 0.746 296 E HN 0.442 nan 8.360 nan 0.000 0.452 297 E N 0.343 120.575 120.200 0.053 0.000 2.110 297 E HA -0.201 4.187 4.350 0.064 0.000 0.193 297 E C 1.861 178.472 176.600 0.019 0.000 0.988 297 E CA 0.565 56.983 56.400 0.030 0.000 0.804 297 E CB 0.164 29.880 29.700 0.026 0.000 0.745 297 E HN 0.081 nan 8.360 nan 0.000 0.458 298 L N -0.646 120.603 121.223 0.043 0.000 2.201 298 L HA 0.025 4.404 4.340 0.064 0.000 0.212 298 L C 1.881 178.692 176.870 -0.099 0.000 1.105 298 L CA 1.971 56.815 54.840 0.006 0.000 0.775 298 L CB -0.168 41.954 42.059 0.105 0.000 0.913 298 L HN 0.436 nan 8.230 nan 0.000 0.440 299 G N -3.940 104.815 108.800 -0.076 0.000 2.227 299 G HA2 -0.223 3.775 3.960 0.064 0.000 0.168 299 G HA3 -0.223 3.775 3.960 0.064 0.000 0.168 299 G C 0.044 174.847 174.900 -0.162 0.000 1.006 299 G CA -0.463 44.553 45.100 -0.140 0.000 0.684 299 G HN 0.154 nan 8.290 nan 0.000 0.489 300 Y N 1.208 121.507 120.300 -0.001 0.000 2.357 300 Y HA 0.519 5.108 4.550 0.065 0.000 0.340 300 Y C 1.024 176.934 175.900 0.015 0.000 1.260 300 Y CA 0.424 58.528 58.100 0.006 0.000 1.425 300 Y CB 0.977 39.500 38.460 0.104 0.000 1.326 300 Y HN 0.371 nan 8.280 nan 0.000 0.580 301 A N 2.639 125.568 122.820 0.182 0.000 2.279 301 A HA 0.570 4.929 4.320 0.064 0.000 0.306 301 A C -1.009 176.695 177.584 0.201 0.000 1.300 301 A CA -0.499 51.622 52.037 0.140 0.000 0.925 301 A CB -0.383 18.667 19.000 0.082 0.000 1.152 301 A HN 0.498 nan 8.150 nan 0.000 0.544 302 V N 4.282 124.308 119.914 0.187 0.000 2.448 302 V HA 0.262 4.421 4.120 0.064 0.000 0.295 302 V C 0.085 176.279 176.094 0.166 0.000 1.025 302 V CA -0.603 61.810 62.300 0.188 0.000 0.859 302 V CB 1.622 33.528 31.823 0.138 0.000 0.988 302 V HN 0.617 nan 8.190 nan 0.000 0.431 303 V N 7.842 127.864 119.914 0.181 0.000 2.530 303 V HA 0.270 4.428 4.120 0.064 0.000 0.282 303 V C -1.780 174.385 176.094 0.117 0.000 1.048 303 V CA -1.345 61.052 62.300 0.163 0.000 0.997 303 V CB 1.314 33.241 31.823 0.172 0.000 0.987 303 V HN 0.773 nan 8.190 nan 0.000 0.477 304 P HA 0.207 nan 4.420 nan 0.000 0.276 304 P C -0.566 176.739 177.300 0.008 0.000 1.230 304 P CA 0.078 63.205 63.100 0.044 0.000 0.776 304 P CB 1.291 33.017 31.700 0.044 0.000 0.888 305 S N 1.717 117.392 115.700 -0.041 0.000 2.600 305 S HA 0.374 4.882 4.470 0.064 0.000 0.300 305 S C -0.065 174.447 174.600 -0.146 0.000 1.087 305 S CA -0.592 57.530 58.200 -0.130 0.000 0.965 305 S CB 1.260 64.334 63.200 -0.211 0.000 1.089 305 S HN 0.394 nan 8.310 nan 0.000 0.496 306 E N 1.362 121.445 120.200 -0.196 0.000 2.887 306 E HA 0.254 4.642 4.350 0.064 0.000 0.206 306 E C -0.291 176.198 176.600 -0.185 0.000 0.983 306 E CA -0.291 56.029 56.400 -0.133 0.000 1.141 306 E CB 0.913 30.583 29.700 -0.051 0.000 1.061 306 E HN 0.637 nan 8.360 nan 0.000 0.468 307 S N 0.109 115.540 115.700 -0.449 0.000 2.971 307 S HA 0.243 4.752 4.470 0.064 0.000 0.320 307 S C 0.234 174.303 174.600 -0.886 0.000 1.111 307 S CA -0.881 56.896 58.200 -0.706 0.000 0.870 307 S CB 0.495 62.931 63.200 -1.274 0.000 1.331 307 S HN 0.129 nan 8.310 nan 0.000 0.635 308 N N 0.573 118.535 118.700 -1.229 0.000 2.378 308 N HA 0.267 5.045 4.740 0.064 0.000 0.243 308 N C -0.514 174.756 175.510 -0.400 0.000 1.137 308 N CA -0.472 52.080 53.050 -0.830 0.000 0.862 308 N CB -0.950 36.939 38.487 -0.997 0.000 1.116 308 N HN 0.658 nan 8.380 nan 0.000 0.499 309 F N -3.089 116.634 119.950 -0.378 0.000 2.711 309 F HA 0.775 5.340 4.527 0.064 0.000 0.313 309 F C -1.352 174.337 175.800 -0.186 0.000 1.141 309 F CA -1.469 56.365 58.000 -0.275 0.000 0.941 309 F CB 0.961 39.796 39.000 -0.276 0.000 1.349 309 F HN -0.243 nan 8.300 nan 0.000 0.464 310 V N 1.660 121.677 119.914 0.171 0.000 2.686 310 V HA 0.434 4.592 4.120 0.064 0.000 0.306 310 V C -1.578 174.756 176.094 0.399 0.000 1.065 310 V CA -0.583 61.817 62.300 0.167 0.000 0.894 310 V CB 1.983 33.809 31.823 0.006 0.000 1.004 310 V HN 0.727 nan 8.190 nan 0.000 0.424 311 F N 7.154 127.221 119.950 0.195 0.000 2.415 311 F HA 0.855 5.420 4.527 0.065 0.000 0.348 311 F C -0.594 175.382 175.800 0.294 0.000 1.119 311 F CA -1.404 56.695 58.000 0.164 0.000 1.069 311 F CB 1.092 40.066 39.000 -0.044 0.000 1.124 311 F HN 0.470 nan 8.300 nan 0.000 0.472 312 F N 2.764 122.601 119.950 -0.189 0.000 2.686 312 F HA 0.966 5.531 4.527 0.063 0.000 0.311 312 F C -0.560 175.118 175.800 -0.203 0.000 1.128 312 F CA -0.990 56.949 58.000 -0.102 0.000 0.946 312 F CB 1.270 40.228 39.000 -0.071 0.000 1.336 312 F HN 0.704 nan 8.300 nan 0.000 0.457 313 G N 0.154 108.797 108.800 -0.262 0.000 2.570 313 G HA2 0.470 4.468 3.960 0.064 0.000 0.310 313 G HA3 0.470 4.468 3.960 0.064 0.000 0.310 313 G C -2.461 172.143 174.900 -0.495 0.000 1.266 313 G CA -0.905 43.744 45.100 -0.752 0.000 0.825 313 G HN 0.636 nan 8.290 nan 0.000 0.483 314 D N 0.609 120.682 120.400 -0.545 0.000 2.440 314 D HA 0.561 5.239 4.640 0.064 0.000 0.239 314 D C -0.782 175.251 176.300 -0.443 0.000 1.084 314 D CA -0.116 53.536 54.000 -0.581 0.000 0.843 314 D CB 1.311 41.922 40.800 -0.315 0.000 1.097 314 D HN 0.121 nan 8.370 nan 0.000 0.531 315 F N 0.396 120.272 119.950 -0.123 0.000 2.371 315 F HA 0.187 4.752 4.527 0.064 0.000 0.329 315 F C 2.032 177.818 175.800 -0.022 0.000 1.107 315 F CA -0.591 57.389 58.000 -0.034 0.000 1.137 315 F CB 1.038 40.035 39.000 -0.005 0.000 1.214 315 F HN 0.151 nan 8.300 nan 0.000 0.536 316 S N -0.438 115.373 115.700 0.185 0.000 2.356 316 S HA -0.165 4.343 4.470 0.064 0.000 0.223 316 S C 0.243 174.917 174.600 0.123 0.000 1.032 316 S CA 1.414 59.684 58.200 0.116 0.000 1.005 316 S CB -0.217 63.035 63.200 0.087 0.000 0.867 316 S HN 0.643 nan 8.310 nan 0.000 0.449 317 D N 0.051 120.537 120.400 0.144 0.000 2.421 317 D HA 0.351 5.030 4.640 0.064 0.000 0.254 317 D C 0.301 176.650 176.300 0.082 0.000 1.238 317 D CA -0.495 53.570 54.000 0.108 0.000 0.919 317 D CB 1.096 41.946 40.800 0.083 0.000 1.152 317 D HN -0.017 nan 8.370 nan 0.000 0.552 318 Q N 1.470 121.323 119.800 0.089 0.000 2.297 318 Q HA -0.077 4.302 4.340 0.064 0.000 0.204 318 Q C 1.610 177.589 176.000 -0.035 0.000 0.962 318 Q CA 1.094 56.877 55.803 -0.033 0.000 0.879 318 Q CB -0.313 28.467 28.738 0.069 0.000 0.947 318 Q HN 0.592 nan 8.270 nan 0.000 0.462 319 H N 0.536 119.592 119.070 -0.024 0.000 2.395 319 H HA 0.135 4.729 4.556 0.063 0.000 0.299 319 H C 1.809 177.206 175.328 0.116 0.000 1.070 319 H CA 1.328 57.397 56.048 0.035 0.000 1.356 319 H CB 0.162 29.912 29.762 -0.020 0.000 1.401 319 H HN 0.360 nan 8.280 nan 0.000 0.524 320 A N 1.295 124.184 122.820 0.115 0.000 1.883 320 A HA -0.177 4.181 4.320 0.064 0.000 0.217 320 A C 2.710 180.252 177.584 -0.071 0.000 1.186 320 A CA 2.073 54.134 52.037 0.041 0.000 0.624 320 A CB -1.135 17.889 19.000 0.041 0.000 0.822 320 A HN 0.551 nan 8.150 nan 0.000 0.444 321 A N -1.625 121.078 122.820 -0.196 0.000 1.877 321 A HA -0.167 4.191 4.320 0.064 0.000 0.216 321 A C 1.985 179.530 177.584 -0.065 0.000 1.186 321 A CA 1.654 53.473 52.037 -0.363 0.000 0.620 321 A CB -1.023 17.237 19.000 -1.233 0.000 0.822 321 A HN 0.883 nan 8.150 nan 0.000 0.443 322 W N 0.624 121.789 121.300 -0.226 0.000 2.317 322 W HA -0.311 4.386 4.660 0.063 0.000 0.318 322 W C 2.315 178.773 176.519 -0.102 0.000 1.227 322 W CA 2.633 59.902 57.345 -0.126 0.000 1.269 322 W CB -0.409 28.883 29.460 -0.280 0.000 1.155 322 W HN 0.406 nan 8.180 nan 0.000 0.484 323 Q N 0.692 120.413 119.800 -0.133 0.000 2.096 323 Q HA -0.165 4.213 4.340 0.064 0.000 0.204 323 Q C 2.271 178.123 176.000 -0.247 0.000 0.982 323 Q CA 2.759 58.390 55.803 -0.286 0.000 0.850 323 Q CB -1.057 27.631 28.738 -0.085 0.000 0.901 323 Q HN 0.323 nan 8.270 nan 0.000 0.422 324 A N -0.606 122.106 122.820 -0.180 0.000 1.917 324 A HA -0.185 4.173 4.320 0.064 0.000 0.219 324 A C 1.931 179.362 177.584 -0.255 0.000 1.182 324 A CA 1.627 53.535 52.037 -0.216 0.000 0.633 324 A CB -1.020 17.827 19.000 -0.254 0.000 0.819 324 A HN 0.476 nan 8.150 nan 0.000 0.448 325 F N -0.950 118.871 119.950 -0.214 0.000 2.102 325 F HA -0.137 4.430 4.527 0.065 0.000 0.298 325 F C 2.091 177.742 175.800 -0.248 0.000 1.105 325 F CA 1.561 59.452 58.000 -0.182 0.000 1.239 325 F CB -0.514 38.409 39.000 -0.128 0.000 0.991 325 F HN 0.246 nan 8.300 nan 0.000 0.474 326 L N 0.297 121.376 121.223 -0.240 0.000 2.046 326 L HA -0.203 4.175 4.340 0.064 0.000 0.208 326 L C 1.829 178.574 176.870 -0.210 0.000 1.077 326 L CA 1.835 56.469 54.840 -0.344 0.000 0.747 326 L CB -0.981 40.656 42.059 -0.703 0.000 0.896 326 L HN -0.015 nan 8.230 nan 0.000 0.432 327 D N -0.258 120.028 120.400 -0.191 0.000 2.182 327 D HA -0.184 4.495 4.640 0.064 0.000 0.201 327 D C 1.924 178.164 176.300 -0.099 0.000 0.986 327 D CA 1.157 55.079 54.000 -0.130 0.000 0.847 327 D CB -0.098 40.630 40.800 -0.120 0.000 0.942 327 D HN 0.365 nan 8.370 nan 0.000 0.467 328 R N -0.693 119.748 120.500 -0.097 0.000 2.356 328 R HA 0.268 4.647 4.340 0.064 0.000 0.234 328 R C 1.129 177.408 176.300 -0.035 0.000 0.929 328 R CA 0.452 56.512 56.100 -0.066 0.000 1.084 328 R CB 0.384 30.636 30.300 -0.080 0.000 1.105 328 R HN 0.125 nan 8.270 nan 0.000 0.515 329 G N 0.225 108.997 108.800 -0.047 0.000 2.143 329 G HA2 -0.238 3.761 3.960 0.064 0.000 0.249 329 G HA3 -0.238 3.761 3.960 0.064 0.000 0.249 329 G C -0.074 174.820 174.900 -0.011 0.000 0.981 329 G CA -0.028 45.052 45.100 -0.033 0.000 0.665 329 G HN 0.162 nan 8.290 nan 0.000 0.528 330 V N 1.032 120.952 119.914 0.009 0.000 2.350 330 V HA 0.634 4.792 4.120 0.064 0.000 0.285 330 V C -0.035 176.050 176.094 -0.015 0.000 1.014 330 V CA -0.874 61.463 62.300 0.062 0.000 0.831 330 V CB 1.601 33.557 31.823 0.221 0.000 1.000 330 V HN 0.373 nan 8.190 nan 0.000 0.433 331 L N 8.098 129.295 121.223 -0.044 0.000 2.262 331 L HA 0.633 5.011 4.340 0.064 0.000 0.288 331 L C -0.094 176.764 176.870 -0.022 0.000 1.035 331 L CA 0.330 55.120 54.840 -0.082 0.000 0.820 331 L CB 0.464 42.502 42.059 -0.035 0.000 1.204 331 L HN 0.684 nan 8.230 nan 0.000 0.424 332 I N 1.564 122.128 120.570 -0.009 0.000 4.030 332 I HA 0.698 4.907 4.170 0.064 0.000 0.248 332 I C -0.670 175.610 176.117 0.272 0.000 1.284 332 I CA -1.361 59.967 61.300 0.046 0.000 1.223 332 I CB 1.535 39.485 38.000 -0.083 0.000 1.446 332 I HN 0.552 nan 8.210 nan 0.000 0.519 333 R N 1.242 121.853 120.500 0.185 0.000 2.513 333 R HA 0.316 4.694 4.340 0.064 0.000 0.301 333 R C -1.605 174.700 176.300 0.008 0.000 0.968 333 R CA -0.363 55.802 56.100 0.109 0.000 0.872 333 R CB 1.046 31.355 30.300 0.015 0.000 1.177 333 R HN 0.693 nan 8.270 nan 0.000 0.444 334 D N 4.187 124.446 120.400 -0.234 0.000 2.443 334 D HA 0.065 4.744 4.640 0.064 0.000 0.221 334 D C 0.635 176.830 176.300 -0.176 0.000 1.097 334 D CA -0.470 53.376 54.000 -0.256 0.000 0.865 334 D CB 1.395 41.891 40.800 -0.507 0.000 1.034 334 D HN 0.370 nan 8.370 nan 0.000 0.511 335 V N 1.826 121.712 119.914 -0.046 0.000 3.620 335 V HA 0.368 4.527 4.120 0.064 0.000 0.286 335 V C 1.390 177.480 176.094 -0.006 0.000 1.288 335 V CA 0.333 62.620 62.300 -0.022 0.000 1.178 335 V CB -0.575 31.267 31.823 0.031 0.000 0.986 335 V HN 0.697 nan 8.190 nan 0.000 0.431 336 G N 0.793 109.584 108.800 -0.015 0.000 2.143 336 G HA2 -0.194 3.805 3.960 0.064 0.000 0.248 336 G HA3 -0.194 3.805 3.960 0.064 0.000 0.248 336 G C -0.205 174.736 174.900 0.069 0.000 0.991 336 G CA 0.242 45.343 45.100 0.001 0.000 0.689 336 G HN 0.488 nan 8.290 nan 0.000 0.522 337 I N 1.390 122.039 120.570 0.133 0.000 2.312 337 I HA 0.595 4.804 4.170 0.064 0.000 0.290 337 I C 1.143 177.390 176.117 0.217 0.000 1.008 337 I CA -1.090 60.339 61.300 0.215 0.000 1.226 337 I CB 0.534 38.754 38.000 0.367 0.000 1.371 337 I HN 0.423 nan 8.210 nan 0.000 0.468 338 A N 4.712 127.651 122.820 0.198 0.000 2.591 338 A HA 0.360 4.719 4.320 0.064 0.000 0.244 338 A C 1.454 179.187 177.584 0.249 0.000 1.031 338 A CA 1.044 53.191 52.037 0.182 0.000 0.767 338 A CB -0.454 18.639 19.000 0.154 0.000 0.942 338 A HN 1.427 nan 8.150 nan 0.000 0.514 339 G N 1.991 110.883 108.800 0.154 0.000 2.320 339 G HA2 -0.237 3.761 3.960 0.064 0.000 0.242 339 G HA3 -0.237 3.761 3.960 0.064 0.000 0.242 339 G C 0.183 174.965 174.900 -0.195 0.000 1.033 339 G CA 0.925 46.029 45.100 0.006 0.000 0.620 339 G HN 1.270 nan 8.290 nan 0.000 0.517 340 H N -0.612 118.404 119.070 -0.090 0.000 2.731 340 H HA 0.841 5.436 4.556 0.064 0.000 0.368 340 H C 0.112 175.227 175.328 -0.355 0.000 1.168 340 H CA -0.603 55.192 56.048 -0.421 0.000 1.181 340 H CB 1.685 30.797 29.762 -1.084 0.000 1.743 340 H HN 0.293 nan 8.280 nan 0.000 0.547 341 L N 0.791 121.730 121.223 -0.472 0.000 2.371 341 L HA 0.569 4.948 4.340 0.064 0.000 0.262 341 L C -0.381 176.357 176.870 -0.220 0.000 1.006 341 L CA -0.921 53.716 54.840 -0.338 0.000 0.818 341 L CB 2.390 44.212 42.059 -0.395 0.000 1.354 341 L HN 0.373 nan 8.230 nan 0.000 0.415 342 R N 0.546 121.089 120.500 0.071 0.000 2.387 342 R HA 0.481 4.860 4.340 0.064 0.000 0.314 342 R C -1.106 175.255 176.300 0.101 0.000 0.958 342 R CA -0.232 55.985 56.100 0.195 0.000 0.846 342 R CB 1.824 32.191 30.300 0.111 0.000 1.147 342 R HN 0.637 nan 8.270 nan 0.000 0.447 343 T N 2.522 117.132 114.554 0.094 0.000 2.779 343 T HA 0.289 4.678 4.350 0.064 0.000 0.280 343 T C -0.394 174.201 174.700 -0.175 0.000 0.987 343 T CA -0.253 61.724 62.100 -0.205 0.000 0.966 343 T CB 1.091 69.495 68.868 -0.774 0.000 0.933 343 T HN 0.561 nan 8.240 nan 0.000 0.442 344 T N 5.867 120.322 114.554 -0.164 0.000 2.913 344 T HA 0.361 4.749 4.350 0.064 0.000 0.297 344 T C 0.364 174.950 174.700 -0.190 0.000 1.029 344 T CA -0.602 61.435 62.100 -0.105 0.000 1.104 344 T CB 0.237 69.069 68.868 -0.060 0.000 0.964 344 T HN 0.432 nan 8.240 nan 0.000 0.532 345 I N 3.115 123.595 120.570 -0.150 0.000 2.352 345 I HA 0.343 4.551 4.170 0.064 0.000 0.290 345 I C 1.086 177.138 176.117 -0.108 0.000 1.036 345 I CA 0.016 61.226 61.300 -0.150 0.000 1.336 345 I CB 0.351 38.273 38.000 -0.131 0.000 1.407 345 I HN 0.758 nan 8.210 nan 0.000 0.497 346 G N 5.855 114.586 108.800 -0.115 0.000 2.890 346 G HA2 0.587 4.586 3.960 0.064 0.000 0.189 346 G HA3 0.587 4.586 3.960 0.064 0.000 0.189 346 G C -0.125 174.680 174.900 -0.159 0.000 1.342 346 G CA -0.395 44.626 45.100 -0.132 0.000 1.026 346 G HN 0.490 nan 8.290 nan 0.000 0.579 347 V N -1.441 118.339 119.914 -0.223 0.000 2.881 347 V HA 0.331 4.490 4.120 0.064 0.000 0.303 347 V C -1.409 174.654 176.094 -0.051 0.000 1.070 347 V CA -1.082 61.104 62.300 -0.191 0.000 1.074 347 V CB 1.264 32.945 31.823 -0.237 0.000 1.012 347 V HN 0.432 nan 8.190 nan 0.000 0.482 348 P HA -0.211 nan 4.420 nan 0.000 0.218 348 P C 1.593 178.907 177.300 0.024 0.000 1.154 348 P CA 2.063 65.180 63.100 0.028 0.000 0.872 348 P CB 0.187 31.915 31.700 0.047 0.000 0.790 349 E N -0.520 119.690 120.200 0.017 0.000 2.150 349 E HA -0.202 4.187 4.350 0.064 0.000 0.193 349 E C 1.804 178.417 176.600 0.021 0.000 0.985 349 E CA 0.913 57.325 56.400 0.019 0.000 0.814 349 E CB -0.120 29.589 29.700 0.015 0.000 0.752 349 E HN 0.349 nan 8.360 nan 0.000 0.466 350 E N 0.100 120.303 120.200 0.006 0.000 2.107 350 E HA -0.125 4.263 4.350 0.064 0.000 0.191 350 E C 1.888 178.523 176.600 0.059 0.000 0.982 350 E CA 0.649 57.058 56.400 0.016 0.000 0.809 350 E CB 0.023 29.707 29.700 -0.026 0.000 0.756 350 E HN 0.225 nan 8.360 nan 0.000 0.459 351 N N 1.303 120.031 118.700 0.046 0.000 2.188 351 N HA -0.133 4.645 4.740 0.064 0.000 0.184 351 N C 1.256 176.856 175.510 0.150 0.000 1.018 351 N CA 1.013 54.122 53.050 0.099 0.000 0.858 351 N CB -0.195 38.319 38.487 0.045 0.000 0.989 351 N HN 0.158 nan 8.380 nan 0.000 0.426 352 D N 1.069 121.521 120.400 0.087 0.000 2.117 352 D HA -0.044 4.635 4.640 0.064 0.000 0.197 352 D C 1.842 178.181 176.300 0.065 0.000 0.987 352 D CA 1.002 55.041 54.000 0.065 0.000 0.829 352 D CB -0.251 40.573 40.800 0.040 0.000 0.961 352 D HN 0.214 nan 8.370 nan 0.000 0.460 353 A N 0.401 123.267 122.820 0.077 0.000 1.930 353 A HA -0.149 4.210 4.320 0.064 0.000 0.217 353 A C 2.073 179.728 177.584 0.118 0.000 1.175 353 A CA 0.903 52.984 52.037 0.074 0.000 0.627 353 A CB -0.921 18.118 19.000 0.066 0.000 0.815 353 A HN 0.258 nan 8.150 nan 0.000 0.443 354 F N 0.347 120.316 119.950 0.032 0.000 2.095 354 F HA -0.165 4.402 4.527 0.066 0.000 0.298 354 F C 1.745 177.607 175.800 0.103 0.000 1.104 354 F CA 1.608 59.646 58.000 0.063 0.000 1.232 354 F CB -0.315 38.666 39.000 -0.031 0.000 0.987 354 F HN 0.141 nan 8.300 nan 0.000 0.475 355 L N 0.727 121.859 121.223 -0.150 0.000 2.056 355 L HA -0.166 4.212 4.340 0.064 0.000 0.207 355 L C 2.127 178.906 176.870 -0.152 0.000 1.078 355 L CA 1.671 56.371 54.840 -0.234 0.000 0.749 355 L CB -1.533 40.510 42.059 -0.027 0.000 0.901 355 L HN 0.102 nan 8.230 nan 0.000 0.433 356 D N -0.251 120.106 120.400 -0.071 0.000 2.106 356 D HA -0.208 4.470 4.640 0.064 0.000 0.191 356 D C 2.210 178.460 176.300 -0.083 0.000 0.997 356 D CA 1.706 55.673 54.000 -0.054 0.000 0.834 356 D CB -0.146 40.638 40.800 -0.026 0.000 0.956 356 D HN 0.319 nan 8.370 nan 0.000 0.448 357 A N 0.553 123.318 122.820 -0.092 0.000 1.933 357 A HA 0.006 4.364 4.320 0.064 0.000 0.218 357 A C 2.257 179.693 177.584 -0.247 0.000 1.175 357 A CA 2.103 54.054 52.037 -0.144 0.000 0.628 357 A CB -0.699 18.280 19.000 -0.034 0.000 0.814 357 A HN 0.240 nan 8.150 nan 0.000 0.444 358 A N -0.259 122.453 122.820 -0.179 0.000 1.969 358 A HA 0.220 4.578 4.320 0.064 0.000 0.218 358 A C 2.419 180.065 177.584 0.105 0.000 1.169 358 A CA 1.821 53.835 52.037 -0.039 0.000 0.635 358 A CB -0.773 18.046 19.000 -0.302 0.000 0.810 358 A HN 0.942 nan 8.150 nan 0.000 0.445 359 A N -0.003 122.815 122.820 -0.002 0.000 1.872 359 A HA -0.124 4.234 4.320 0.064 0.000 0.214 359 A C 1.921 179.487 177.584 -0.031 0.000 1.187 359 A CA 1.432 53.471 52.037 0.005 0.000 0.614 359 A CB -0.477 18.511 19.000 -0.020 0.000 0.826 359 A HN 0.602 nan 8.150 nan 0.000 0.442 360 E N -0.236 119.922 120.200 -0.070 0.000 2.058 360 E HA -0.180 4.208 4.350 0.064 0.000 0.194 360 E C 1.896 178.442 176.600 -0.089 0.000 0.997 360 E CA 1.408 57.757 56.400 -0.086 0.000 0.801 360 E CB -0.335 29.298 29.700 -0.111 0.000 0.746 360 E HN 0.690 nan 8.360 nan 0.000 0.450 361 I N 0.966 121.459 120.570 -0.128 0.000 2.394 361 I HA -0.211 3.997 4.170 0.064 0.000 0.251 361 I C 2.539 178.683 176.117 0.044 0.000 1.136 361 I CA 0.578 61.809 61.300 -0.115 0.000 1.425 361 I CB -0.058 37.731 38.000 -0.352 0.000 1.079 361 I HN 0.102 nan 8.210 nan 0.000 0.425 362 I N 0.970 121.583 120.570 0.073 0.000 2.454 362 I HA -0.288 3.920 4.170 0.064 0.000 0.254 362 I C 2.158 178.235 176.117 -0.067 0.000 1.156 362 I CA 1.552 62.819 61.300 -0.054 0.000 1.433 362 I CB -0.082 37.711 38.000 -0.344 0.000 1.082 362 I HN 0.139 nan 8.210 nan 0.000 0.432 363 K N 0.189 120.558 120.400 -0.052 0.000 2.439 363 K HA -0.017 4.342 4.320 0.064 0.000 0.197 363 K C 1.696 178.278 176.600 -0.031 0.000 1.041 363 K CA 0.762 57.020 56.287 -0.048 0.000 0.970 363 K CB 0.071 32.543 32.500 -0.047 0.000 0.773 363 K HN 0.411 nan 8.250 nan 0.000 0.479 364 L N 0.199 121.411 121.223 -0.019 0.000 2.418 364 L HA 0.017 4.395 4.340 0.064 0.000 0.218 364 L C 0.367 177.247 176.870 0.016 0.000 1.125 364 L CA -0.114 54.721 54.840 -0.008 0.000 0.835 364 L CB -0.634 41.413 42.059 -0.018 0.000 0.953 364 L HN 0.281 nan 8.230 nan 0.000 0.454 365 N N 1.001 119.720 118.700 0.032 0.000 2.714 365 N HA -0.198 4.581 4.740 0.064 0.000 0.253 365 N C -0.321 175.242 175.510 0.088 0.000 1.024 365 N CA 0.329 53.406 53.050 0.046 0.000 0.726 365 N CB -1.214 37.277 38.487 0.008 0.000 0.908 365 N HN 0.264 nan 8.380 nan 0.000 0.542 366 L N 0.000 121.319 121.223 0.159 0.000 2.949 366 L HA 0.000 4.378 4.340 0.064 0.000 0.249 366 L CA 0.000 54.933 54.840 0.154 0.000 0.813 366 L CB 0.000 42.113 42.059 0.090 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502