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 1lpo_1_A DATA FIRST_RESID 1 DATA SEQUENCE APTATLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLDG DATA SEQUENCE QKFTSYGPSc MQQNPEGTYE ENLPKAALDL VMQSKVFEAV SPSSEDcLTI DATA SEQUENCE NVVRPPGTKA GANLPVMLWI FGGGFEVGGT STFPPAQMIT KSIAMGKPII DATA SEQUENCE HVSVNYRVSS WGFLAGDEIK AEGSANAGLK DQRLGMQWVA DNIAAFGGDP DATA SEQUENCE TKVTIFGESA GSMSVMCHIL WNDGDNTYKG KPLFRAGIMQ SGAMVPSDAV DATA SEQUENCE DGIYGNEIFD LLASNAGcGS ASDKLAcLRG VSSDTLEDAT NNTPGFLAYS DATA SEQUENCE SLRLSYLPRP DGVNITDDMY ALVREGKYAN IPVIIGDQND EGTFFGTSSL DATA SEQUENCE NVTTDAQARE YFKQSFVHAS DAEIDTLMTA YPGDITQGSP FDTGILNALT DATA SEQUENCE PQFKRISAVL GDLGFTLARR YFLNHYTGGT KYSFLSKQLS GLPVLGTFHS DATA SEQUENCE NDIVFQDYLL GSGSLIYNNA FIAFATDLDP NTAGLLVKWP EYTSSSQSGN DATA SEQUENCE NLMMINALGL YTGKDNFRTA GYDALFSNPP SFFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.608 177.584 0.039 0.000 1.274 1 A CA 0.000 52.045 52.037 0.013 0.000 0.836 1 A CB 0.000 19.000 19.000 0.000 0.000 0.831 2 P HA 0.462 nan 4.420 nan 0.000 0.268 2 P C -0.545 176.907 177.300 0.254 0.000 1.204 2 P CA 1.074 64.230 63.100 0.094 0.000 0.768 2 P CB 1.042 32.669 31.700 -0.121 0.000 0.842 3 T N 1.291 116.055 114.554 0.351 0.000 2.903 3 T HA 0.777 5.128 4.350 0.001 0.000 0.299 3 T C -1.216 173.570 174.700 0.145 0.000 1.093 3 T CA -0.432 61.850 62.100 0.303 0.000 1.002 3 T CB 1.840 70.795 68.868 0.144 0.000 1.127 3 T HN 0.381 nan 8.240 nan 0.000 0.488 4 A N 1.391 124.200 122.820 -0.018 0.000 2.517 4 A HA 0.711 5.031 4.320 0.001 0.000 0.297 4 A C -0.631 176.801 177.584 -0.252 0.000 1.050 4 A CA -0.762 51.061 52.037 -0.357 0.000 0.694 4 A CB 1.478 19.838 19.000 -1.065 0.000 1.277 4 A HN 0.632 nan 8.150 nan 0.000 0.400 5 T N 3.570 117.974 114.554 -0.249 0.000 2.770 5 T HA 0.493 4.844 4.350 0.001 0.000 0.297 5 T C 0.435 175.014 174.700 -0.202 0.000 0.997 5 T CA -0.165 61.844 62.100 -0.151 0.000 0.949 5 T CB 0.019 68.829 68.868 -0.097 0.000 0.941 5 T HN 0.477 nan 8.240 nan 0.000 0.457 6 L N 1.795 122.931 121.223 -0.145 0.000 2.475 6 L HA 0.285 4.626 4.340 0.001 0.000 0.250 6 L C 2.157 178.957 176.870 -0.118 0.000 1.224 6 L CA -0.655 54.096 54.840 -0.149 0.000 0.821 6 L CB -0.011 42.022 42.059 -0.044 0.000 1.141 6 L HN 0.699 nan 8.230 nan 0.000 0.494 7 A N 1.269 124.006 122.820 -0.139 0.000 1.940 7 A HA -0.205 4.116 4.320 0.001 0.000 0.219 7 A C 1.625 179.179 177.584 -0.050 0.000 1.176 7 A CA 2.042 54.017 52.037 -0.103 0.000 0.631 7 A CB -0.836 18.090 19.000 -0.123 0.000 0.814 7 A HN 0.936 nan 8.150 nan 0.000 0.446 8 N N -1.265 117.422 118.700 -0.021 0.000 2.383 8 N HA 0.256 4.997 4.740 0.001 0.000 0.192 8 N C 0.981 176.499 175.510 0.013 0.000 1.141 8 N CA 1.257 54.313 53.050 0.010 0.000 0.851 8 N CB -0.182 38.332 38.487 0.045 0.000 0.976 8 N HN 0.801 nan 8.380 nan 0.000 0.465 9 G N -0.480 108.319 108.800 -0.003 0.000 2.234 9 G HA2 -0.248 3.713 3.960 0.001 0.000 0.235 9 G HA3 -0.248 3.713 3.960 0.001 0.000 0.235 9 G C -0.575 174.337 174.900 0.020 0.000 0.997 9 G CA 0.093 45.194 45.100 0.002 0.000 0.623 9 G HN 0.462 nan 8.290 nan 0.000 0.514 10 D N 1.444 121.871 120.400 0.045 0.000 2.443 10 D HA 0.467 5.108 4.640 0.001 0.000 0.239 10 D C 0.314 176.651 176.300 0.062 0.000 1.136 10 D CA 0.911 54.959 54.000 0.079 0.000 0.879 10 D CB 0.994 41.876 40.800 0.136 0.000 1.195 10 D HN 0.126 nan 8.370 nan 0.000 0.443 11 T N 2.151 116.753 114.554 0.081 0.000 2.786 11 T HA 0.535 4.885 4.350 0.001 0.000 0.283 11 T C 0.401 175.190 174.700 0.148 0.000 0.992 11 T CA -0.688 61.455 62.100 0.073 0.000 0.954 11 T CB 0.447 69.345 68.868 0.050 0.000 0.934 11 T HN 0.286 nan 8.240 nan 0.000 0.440 12 I N -0.020 120.674 120.570 0.205 0.000 2.863 12 I HA 0.828 4.998 4.170 0.001 0.000 0.311 12 I C -0.471 175.879 176.117 0.388 0.000 1.026 12 I CA -0.799 60.722 61.300 0.368 0.000 1.077 12 I CB 2.214 40.578 38.000 0.607 0.000 1.262 12 I HN 0.307 nan 8.210 nan 0.000 0.461 13 T N 2.356 117.138 114.554 0.380 0.000 2.856 13 T HA 0.681 5.031 4.350 0.001 0.000 0.283 13 T C 0.105 174.956 174.700 0.251 0.000 1.008 13 T CA -0.467 61.803 62.100 0.284 0.000 0.997 13 T CB 1.676 70.612 68.868 0.113 0.000 0.992 13 T HN 0.983 nan 8.240 nan 0.000 0.454 14 G N 0.889 109.648 108.800 -0.069 0.000 2.938 14 G HA2 0.705 4.666 3.960 0.001 0.000 0.258 14 G HA3 0.705 4.666 3.960 0.001 0.000 0.258 14 G C -1.433 173.255 174.900 -0.352 0.000 1.356 14 G CA -0.636 44.128 45.100 -0.559 0.000 1.052 14 G HN 0.648 nan 8.290 nan 0.000 0.550 15 L N -0.263 120.733 121.223 -0.377 0.000 2.331 15 L HA 0.647 4.988 4.340 0.001 0.000 0.275 15 L C -0.692 176.060 176.870 -0.196 0.000 1.022 15 L CA -0.944 53.769 54.840 -0.212 0.000 0.812 15 L CB 1.947 43.910 42.059 -0.160 0.000 1.257 15 L HN 0.460 nan 8.230 nan 0.000 0.435 16 N N 3.389 122.018 118.700 -0.118 0.000 2.501 16 N HA 0.461 5.202 4.740 0.001 0.000 0.245 16 N C -0.186 175.289 175.510 -0.058 0.000 0.974 16 N CA 0.085 53.088 53.050 -0.079 0.000 0.941 16 N CB 1.593 40.050 38.487 -0.050 0.000 1.122 16 N HN 0.740 nan 8.380 nan 0.000 0.507 17 A N 4.303 127.091 122.820 -0.054 0.000 2.370 17 A HA 0.260 4.580 4.320 0.001 0.000 0.238 17 A C 1.314 178.883 177.584 -0.025 0.000 1.289 17 A CA -0.206 51.807 52.037 -0.039 0.000 0.885 17 A CB -0.670 18.305 19.000 -0.041 0.000 0.961 17 A HN 0.728 nan 8.150 nan 0.000 0.499 18 I N -1.754 118.804 120.570 -0.020 0.000 4.624 18 I HA -0.406 3.764 4.170 0.001 0.000 0.049 18 I C 1.771 177.885 176.117 -0.005 0.000 0.621 18 I CA 2.404 63.698 61.300 -0.011 0.000 0.836 18 I CB -1.672 36.321 38.000 -0.011 0.000 0.765 18 I HN 0.610 nan 8.210 nan 0.000 0.159 19 I N 1.052 121.617 120.570 -0.008 0.000 3.291 19 I HA 0.117 4.288 4.170 0.001 0.000 0.279 19 I C 0.750 176.867 176.117 0.000 0.000 1.294 19 I CA 1.128 62.425 61.300 -0.005 0.000 1.428 19 I CB -0.381 37.612 38.000 -0.011 0.000 1.070 19 I HN 0.715 nan 8.210 nan 0.000 0.478 20 N N 0.224 118.924 118.700 -0.001 0.000 3.348 20 N HA 0.262 5.002 4.740 0.001 0.000 0.233 20 N C -1.624 173.887 175.510 0.001 0.000 1.440 20 N CA -0.816 52.241 53.050 0.012 0.000 0.887 20 N CB 1.323 39.816 38.487 0.010 0.000 1.410 20 N HN 0.096 nan 8.380 nan 0.000 0.502 21 E N -0.037 120.177 120.200 0.024 0.000 2.187 21 E HA 0.696 5.046 4.350 0.001 0.000 0.268 21 E C -1.151 175.438 176.600 -0.019 0.000 0.896 21 E CA -0.890 55.501 56.400 -0.016 0.000 0.766 21 E CB 2.162 31.897 29.700 0.058 0.000 1.142 21 E HN 0.660 nan 8.360 nan 0.000 0.408 22 A N 2.806 125.517 122.820 -0.182 0.000 2.414 22 A HA 0.719 5.039 4.320 0.001 0.000 0.306 22 A C -1.513 175.870 177.584 -0.335 0.000 1.054 22 A CA -0.642 51.317 52.037 -0.130 0.000 0.724 22 A CB 0.669 19.598 19.000 -0.119 0.000 1.267 22 A HN 0.519 nan 8.150 nan 0.000 0.418 23 F N 2.062 122.017 119.950 0.009 0.000 2.430 23 F HA 0.503 5.030 4.527 0.001 0.000 0.362 23 F C -0.299 175.459 175.800 -0.069 0.000 1.103 23 F CA -0.302 57.734 58.000 0.061 0.000 1.045 23 F CB 1.337 40.429 39.000 0.154 0.000 1.276 23 F HN 0.348 nan 8.300 nan 0.000 0.444 24 L N 1.949 123.192 121.223 0.033 0.000 2.325 24 L HA 0.773 5.113 4.340 0.001 0.000 0.278 24 L C 0.935 177.822 176.870 0.028 0.000 1.023 24 L CA -1.046 53.714 54.840 -0.134 0.000 0.811 24 L CB 1.710 43.504 42.059 -0.442 0.000 1.249 24 L HN 0.797 nan 8.230 nan 0.000 0.431 25 G N 2.629 111.423 108.800 -0.009 0.000 2.182 25 G HA2 -0.252 3.709 3.960 0.001 0.000 0.248 25 G HA3 -0.252 3.709 3.960 0.001 0.000 0.248 25 G C -0.075 174.844 174.900 0.032 0.000 1.042 25 G CA -0.357 44.785 45.100 0.071 0.000 0.775 25 G HN 0.487 nan 8.290 nan 0.000 0.501 26 I N 2.490 122.916 120.570 -0.241 0.000 2.436 26 I HA 0.213 4.383 4.170 0.001 0.000 0.289 26 I C -1.348 174.545 176.117 -0.373 0.000 1.083 26 I CA -1.947 59.016 61.300 -0.561 0.000 1.372 26 I CB 0.850 38.439 38.000 -0.686 0.000 1.408 26 I HN -0.020 nan 8.210 nan 0.000 0.516 27 P HA 0.010 nan 4.420 nan 0.000 0.276 27 P C -0.174 176.834 177.300 -0.488 0.000 1.235 27 P CA 0.033 62.845 63.100 -0.480 0.000 0.772 27 P CB 0.500 31.790 31.700 -0.683 0.000 0.871 28 F N 1.391 121.106 119.950 -0.391 0.000 2.682 28 F HA 0.725 5.253 4.527 0.001 0.000 0.308 28 F C 0.047 175.871 175.800 0.040 0.000 1.093 28 F CA -0.767 57.078 58.000 -0.258 0.000 1.244 28 F CB 0.261 38.944 39.000 -0.528 0.000 1.052 28 F HN 0.351 nan 8.300 nan 0.000 0.573 29 A N 0.032 122.645 122.820 -0.346 0.000 2.606 29 A HA 0.558 4.878 4.320 0.001 0.000 0.293 29 A C -0.953 176.664 177.584 0.054 0.000 1.082 29 A CA -0.835 51.136 52.037 -0.109 0.000 0.685 29 A CB 0.973 19.767 19.000 -0.343 0.000 1.284 29 A HN 0.068 nan 8.150 nan 0.000 0.408 30 E N 1.098 121.367 120.200 0.115 0.000 2.392 30 E HA 0.257 4.608 4.350 0.001 0.000 0.264 30 E C -2.328 174.284 176.600 0.020 0.000 1.024 30 E CA -1.378 55.087 56.400 0.107 0.000 0.903 30 E CB 0.039 29.763 29.700 0.040 0.000 0.963 30 E HN 0.243 nan 8.360 nan 0.000 0.432 31 P HA -0.021 nan 4.420 nan 0.000 0.258 31 P C -2.128 175.157 177.300 -0.026 0.000 1.187 31 P CA -0.579 62.509 63.100 -0.020 0.000 0.767 31 P CB -0.032 31.667 31.700 -0.001 0.000 0.770 32 P HA -0.014 nan 4.420 nan 0.000 0.237 32 P C -0.095 177.174 177.300 -0.051 0.000 1.723 32 P CA 0.189 63.266 63.100 -0.037 0.000 0.882 32 P CB -0.170 31.510 31.700 -0.033 0.000 1.810 33 V N -3.417 116.473 119.914 -0.040 0.000 3.211 33 V HA 0.877 4.997 4.120 0.001 0.000 0.319 33 V C 1.047 177.119 176.094 -0.037 0.000 1.096 33 V CA 0.146 62.421 62.300 -0.040 0.000 1.029 33 V CB 0.573 32.381 31.823 -0.025 0.000 1.137 33 V HN 0.497 nan 8.190 nan 0.000 0.453 34 G N 1.604 110.385 108.800 -0.032 0.000 2.622 34 G HA2 -0.350 3.610 3.960 0.001 0.000 0.307 34 G HA3 -0.350 3.610 3.960 0.001 0.000 0.307 34 G C 0.612 175.495 174.900 -0.028 0.000 1.226 34 G CA 0.809 45.898 45.100 -0.019 0.000 0.997 34 G HN 1.031 nan 8.290 nan 0.000 0.551 35 N N 0.758 119.455 118.700 -0.006 0.000 2.550 35 N HA 0.058 4.798 4.740 0.001 0.000 0.186 35 N C 2.141 177.652 175.510 0.002 0.000 1.110 35 N CA 0.718 53.772 53.050 0.007 0.000 0.912 35 N CB -0.059 38.442 38.487 0.023 0.000 0.968 35 N HN 0.479 nan 8.380 nan 0.000 0.448 36 L N 0.309 121.522 121.223 -0.016 0.000 2.554 36 L HA 0.069 4.410 4.340 0.001 0.000 0.226 36 L C 0.931 177.771 176.870 -0.051 0.000 1.137 36 L CA 0.075 54.907 54.840 -0.013 0.000 0.863 36 L CB -0.017 42.037 42.059 -0.009 0.000 0.985 36 L HN -0.034 nan 8.230 nan 0.000 0.451 37 R N 0.062 120.476 120.500 -0.144 0.000 2.640 37 R HA -0.071 4.269 4.340 0.001 0.000 0.270 37 R C 0.433 176.549 176.300 -0.307 0.000 1.024 37 R CA 0.225 56.085 56.100 -0.399 0.000 1.085 37 R CB 0.205 30.072 30.300 -0.721 0.000 0.963 37 R HN 0.049 nan 8.270 nan 0.000 0.426 38 F N -1.199 118.801 119.950 0.083 0.000 2.890 38 F HA -0.352 4.176 4.527 0.001 0.000 0.346 38 F C 0.415 176.245 175.800 0.050 0.000 0.660 38 F CA 1.000 59.037 58.000 0.062 0.000 1.091 38 F CB -1.263 37.776 39.000 0.065 0.000 1.535 38 F HN 0.460 nan 8.300 nan 0.000 0.314 39 K N 1.596 122.089 120.400 0.155 0.000 2.090 39 K HA 0.324 4.644 4.320 0.001 0.000 0.249 39 K C 0.193 176.850 176.600 0.094 0.000 0.995 39 K CA -0.768 55.589 56.287 0.116 0.000 0.914 39 K CB 0.485 33.035 32.500 0.083 0.000 1.057 39 K HN -0.122 nan 8.250 nan 0.000 0.462 40 D N 2.733 123.190 120.400 0.095 0.000 2.478 40 D HA 0.029 4.669 4.640 0.001 0.000 0.234 40 D C -2.013 174.337 176.300 0.083 0.000 1.154 40 D CA -0.518 53.542 54.000 0.100 0.000 0.874 40 D CB -0.017 40.849 40.800 0.109 0.000 1.198 40 D HN 0.221 nan 8.370 nan 0.000 0.455 41 P HA 0.081 nan 4.420 nan 0.000 0.275 41 P C -0.754 176.594 177.300 0.080 0.000 1.228 41 P CA -0.389 62.751 63.100 0.067 0.000 0.786 41 P CB 0.808 32.557 31.700 0.081 0.000 0.927 42 V N 5.050 125.001 119.914 0.061 0.000 2.394 42 V HA 0.258 4.378 4.120 0.001 0.000 0.282 42 V C -1.866 174.288 176.094 0.099 0.000 1.031 42 V CA -2.121 60.223 62.300 0.074 0.000 0.881 42 V CB 1.134 32.988 31.823 0.050 0.000 0.982 42 V HN 0.588 nan 8.190 nan 0.000 0.451 43 P HA -0.080 nan 4.420 nan 0.000 0.264 43 P C -0.798 176.616 177.300 0.190 0.000 1.183 43 P CA 0.046 63.260 63.100 0.190 0.000 0.763 43 P CB 0.308 32.118 31.700 0.183 0.000 0.807 44 Y N 2.902 123.270 120.300 0.114 0.000 2.605 44 Y HA 0.076 4.626 4.550 0.001 0.000 0.336 44 Y C 0.031 175.995 175.900 0.108 0.000 1.111 44 Y CA 0.750 58.903 58.100 0.089 0.000 1.422 44 Y CB 0.187 38.703 38.460 0.093 0.000 1.193 44 Y HN 0.235 nan 8.280 nan 0.000 0.526 45 S N 4.363 119.828 115.700 -0.391 0.000 2.437 45 S HA 0.850 5.320 4.470 0.001 0.000 0.305 45 S C -0.060 174.183 174.600 -0.594 0.000 1.109 45 S CA -0.066 57.958 58.200 -0.294 0.000 1.099 45 S CB 1.155 64.263 63.200 -0.154 0.000 1.004 45 S HN 1.160 nan 8.310 nan 0.000 0.475 46 G N 1.121 109.737 108.800 -0.307 0.000 2.339 46 G HA2 0.353 4.314 3.960 0.001 0.000 0.302 46 G HA3 0.353 4.314 3.960 0.001 0.000 0.302 46 G C -1.389 173.575 174.900 0.106 0.000 1.425 46 G CA -0.742 44.247 45.100 -0.184 0.000 0.899 46 G HN 0.615 nan 8.290 nan 0.000 0.619 47 S N -1.037 114.756 115.700 0.155 0.000 2.475 47 S HA 0.673 5.143 4.470 0.001 0.000 0.298 47 S C 0.869 175.629 174.600 0.266 0.000 1.119 47 S CA -0.757 57.557 58.200 0.190 0.000 1.085 47 S CB 0.926 64.197 63.200 0.120 0.000 1.028 47 S HN 0.588 nan 8.310 nan 0.000 0.489 48 L N 2.306 123.702 121.223 0.288 0.000 2.766 48 L HA 0.315 4.656 4.340 0.001 0.000 0.242 48 L C 0.206 177.242 176.870 0.277 0.000 1.136 48 L CA -0.233 54.820 54.840 0.356 0.000 0.933 48 L CB 0.070 42.392 42.059 0.439 0.000 1.241 48 L HN 0.555 nan 8.230 nan 0.000 0.522 49 D N 1.297 121.811 120.400 0.190 0.000 2.531 49 D HA 0.154 4.795 4.640 0.001 0.000 0.239 49 D C 1.384 177.750 176.300 0.110 0.000 1.144 49 D CA 1.626 55.708 54.000 0.136 0.000 0.869 49 D CB 0.908 41.766 40.800 0.097 0.000 1.160 49 D HN 0.331 nan 8.370 nan 0.000 0.484 50 G N 2.993 111.853 108.800 0.100 0.000 2.184 50 G HA2 -0.308 3.653 3.960 0.001 0.000 0.264 50 G HA3 -0.308 3.653 3.960 0.001 0.000 0.264 50 G C 0.327 175.246 174.900 0.031 0.000 0.975 50 G CA 0.533 45.671 45.100 0.062 0.000 0.642 50 G HN 0.601 nan 8.290 nan 0.000 0.536 51 Q N -0.104 119.718 119.800 0.037 0.000 2.227 51 Q HA 0.600 4.940 4.340 0.001 0.000 0.245 51 Q C 0.128 175.970 176.000 -0.263 0.000 0.926 51 Q CA -0.310 55.403 55.803 -0.151 0.000 0.895 51 Q CB 1.124 29.716 28.738 -0.243 0.000 1.230 51 Q HN 0.309 nan 8.270 nan 0.000 0.450 52 K N 1.346 121.491 120.400 -0.425 0.000 2.138 52 K HA 0.435 4.755 4.320 0.001 0.000 0.263 52 K C -1.143 175.077 176.600 -0.633 0.000 0.965 52 K CA -0.394 55.703 56.287 -0.317 0.000 0.868 52 K CB 1.006 33.405 32.500 -0.168 0.000 1.083 52 K HN 0.397 nan 8.250 nan 0.000 0.443 53 F N 1.275 121.257 119.950 0.054 0.000 2.564 53 F HA 0.136 4.664 4.527 0.001 0.000 0.368 53 F C 0.854 176.625 175.800 -0.048 0.000 1.127 53 F CA -0.682 57.338 58.000 0.034 0.000 1.170 53 F CB 1.373 40.450 39.000 0.128 0.000 1.397 53 F HN 0.541 nan 8.300 nan 0.000 0.493 54 T N -3.001 111.559 114.554 0.009 0.000 3.040 54 T HA 0.318 4.669 4.350 0.001 0.000 0.266 54 T C 0.236 174.894 174.700 -0.071 0.000 1.005 54 T CA 0.003 62.069 62.100 -0.056 0.000 0.906 54 T CB -0.005 68.821 68.868 -0.071 0.000 1.082 54 T HN 0.299 nan 8.240 nan 0.000 0.531 55 S N -0.021 115.648 115.700 -0.052 0.000 2.541 55 S HA 0.635 5.105 4.470 0.001 0.000 0.271 55 S C -1.186 173.395 174.600 -0.032 0.000 1.133 55 S CA -1.087 57.085 58.200 -0.046 0.000 0.876 55 S CB 0.649 63.853 63.200 0.007 0.000 1.105 55 S HN 0.190 nan 8.310 nan 0.000 0.470 56 Y N 1.521 121.832 120.300 0.017 0.000 2.597 56 Y HA 0.430 4.981 4.550 0.001 0.000 0.336 56 Y C 1.597 177.503 175.900 0.008 0.000 1.216 56 Y CA 1.302 59.413 58.100 0.019 0.000 1.463 56 Y CB 0.329 38.790 38.460 0.000 0.000 1.303 56 Y HN 1.051 nan 8.280 nan 0.000 0.576 57 G N 3.113 112.015 108.800 0.171 0.000 2.543 57 G HA2 0.427 4.388 3.960 0.001 0.000 0.290 57 G HA3 0.427 4.388 3.960 0.001 0.000 0.290 57 G C -2.508 172.427 174.900 0.057 0.000 1.310 57 G CA -1.372 43.780 45.100 0.088 0.000 1.025 57 G HN 0.446 nan 8.290 nan 0.000 0.502 58 P HA 0.216 nan 4.420 nan 0.000 0.274 58 P C -0.222 177.054 177.300 -0.039 0.000 1.237 58 P CA -0.228 62.854 63.100 -0.030 0.000 0.793 58 P CB 1.157 32.830 31.700 -0.045 0.000 0.977 59 S N -0.039 115.615 115.700 -0.076 0.000 2.669 59 S HA 0.267 4.738 4.470 0.001 0.000 0.270 59 S C 0.492 175.025 174.600 -0.112 0.000 1.225 59 S CA -0.570 57.575 58.200 -0.092 0.000 0.991 59 S CB 0.281 63.398 63.200 -0.139 0.000 0.987 59 S HN 0.518 nan 8.310 nan 0.000 0.552 60 c N 2.428 120.959 118.600 -0.115 0.000 2.639 60 c HA 0.271 4.841 4.570 0.001 0.000 0.360 60 c C 1.031 174.935 174.090 -0.311 0.000 1.351 60 c CA -0.853 55.360 56.329 -0.193 0.000 2.408 60 c CB -0.594 41.838 42.510 -0.129 0.000 2.517 60 c HN 0.673 nan 8.230 nan 0.000 0.696 61 M N 2.247 121.476 119.600 -0.619 0.000 2.250 61 M HA 0.072 4.552 4.480 0.001 0.000 0.337 61 M C 0.176 176.139 176.300 -0.561 0.000 1.161 61 M CA 1.202 55.981 55.300 -0.868 0.000 1.088 61 M CB -0.244 31.152 32.600 -2.008 0.000 1.639 61 M HN 0.632 nan 8.290 nan 0.000 0.447 62 Q N 1.960 121.622 119.800 -0.229 0.000 2.266 62 Q HA 0.394 4.734 4.340 0.001 0.000 0.261 62 Q C -0.594 175.538 176.000 0.220 0.000 0.985 62 Q CA -0.491 55.343 55.803 0.052 0.000 0.873 62 Q CB 2.322 31.113 28.738 0.090 0.000 1.306 62 Q HN 0.598 nan 8.270 nan 0.000 0.447 63 Q N 1.834 121.829 119.800 0.324 0.000 2.230 63 Q HA 0.166 4.506 4.340 0.001 0.000 0.253 63 Q C -0.417 175.709 176.000 0.210 0.000 0.919 63 Q CA -0.626 55.373 55.803 0.327 0.000 0.908 63 Q CB 1.038 29.996 28.738 0.367 0.000 1.245 63 Q HN 0.446 nan 8.270 nan 0.000 0.437 64 N N 4.447 123.230 118.700 0.139 0.000 2.438 64 N HA 0.046 4.787 4.740 0.001 0.000 0.267 64 N C -2.084 173.431 175.510 0.008 0.000 1.222 64 N CA -1.395 51.684 53.050 0.049 0.000 0.930 64 N CB 1.141 39.641 38.487 0.021 0.000 1.083 64 N HN 0.460 nan 8.380 nan 0.000 0.476 65 P HA -0.113 nan 4.420 nan 0.000 0.217 65 P C 0.223 177.358 177.300 -0.274 0.000 1.148 65 P CA 1.241 64.114 63.100 -0.379 0.000 0.828 65 P CB 0.329 31.722 31.700 -0.511 0.000 0.783 66 E N -0.756 119.359 120.200 -0.141 0.000 2.444 66 E HA 0.159 4.509 4.350 0.001 0.000 0.191 66 E C 1.124 177.691 176.600 -0.056 0.000 1.041 66 E CA -0.035 56.309 56.400 -0.093 0.000 0.883 66 E CB -0.225 29.428 29.700 -0.079 0.000 1.024 66 E HN 0.140 nan 8.360 nan 0.000 0.470 67 G N 0.697 109.481 108.800 -0.026 0.000 2.614 67 G HA2 0.242 4.203 3.960 0.001 0.000 0.239 67 G HA3 0.242 4.203 3.960 0.001 0.000 0.239 67 G C 0.018 174.906 174.900 -0.020 0.000 1.240 67 G CA 0.468 45.570 45.100 0.004 0.000 0.842 67 G HN 0.082 nan 8.290 nan 0.000 0.584 68 T N -0.757 113.769 114.554 -0.046 0.000 2.800 68 T HA 0.192 4.542 4.350 0.001 0.000 0.327 68 T C 0.466 175.081 174.700 -0.143 0.000 1.838 68 T CA -0.083 61.917 62.100 -0.166 0.000 1.024 68 T CB 0.076 68.767 68.868 -0.296 0.000 1.755 68 T HN 0.898 nan 8.240 nan 0.000 0.507 69 Y N 0.522 120.842 120.300 0.033 0.000 2.571 69 Y HA 0.481 5.031 4.550 0.001 0.000 0.294 69 Y C 0.730 176.636 175.900 0.010 0.000 1.141 69 Y CA -0.200 57.910 58.100 0.018 0.000 1.308 69 Y CB -0.493 37.975 38.460 0.014 0.000 1.002 69 Y HN 0.497 nan 8.280 nan 0.000 0.551 70 E N 1.134 121.217 120.200 -0.194 0.000 2.312 70 E HA 0.194 4.545 4.350 0.001 0.000 0.259 70 E C -0.360 176.208 176.600 -0.055 0.000 1.122 70 E CA -0.690 55.666 56.400 -0.074 0.000 0.922 70 E CB 0.621 30.217 29.700 -0.172 0.000 1.109 70 E HN 0.145 nan 8.360 nan 0.000 0.442 71 E N 1.802 121.982 120.200 -0.033 0.000 2.187 71 E HA 0.316 4.666 4.350 0.001 0.000 0.268 71 E C -0.677 175.897 176.600 -0.045 0.000 0.896 71 E CA -0.502 55.879 56.400 -0.031 0.000 0.766 71 E CB 1.423 31.115 29.700 -0.013 0.000 1.142 71 E HN 0.605 nan 8.360 nan 0.000 0.408 72 N N 1.448 120.119 118.700 -0.048 0.000 2.927 72 N HA 0.112 4.853 4.740 0.001 0.000 0.248 72 N C 0.309 175.791 175.510 -0.047 0.000 1.443 72 N CA -0.638 52.381 53.050 -0.052 0.000 0.870 72 N CB 1.043 39.491 38.487 -0.065 0.000 1.444 72 N HN 0.199 nan 8.380 nan 0.000 0.519 73 L N 0.979 122.174 121.223 -0.047 0.000 1.994 73 L HA 0.082 4.423 4.340 0.001 0.000 0.208 73 L C -0.945 175.896 176.870 -0.047 0.000 1.071 73 L CA 1.988 56.801 54.840 -0.044 0.000 0.745 73 L CB -1.552 40.480 42.059 -0.044 0.000 0.892 73 L HN 0.574 nan 8.230 nan 0.000 0.431 74 P HA -0.214 nan 4.420 nan 0.000 0.216 74 P C 1.439 178.706 177.300 -0.055 0.000 1.150 74 P CA 1.605 64.673 63.100 -0.054 0.000 0.837 74 P CB -0.079 31.586 31.700 -0.058 0.000 0.786 75 K N -0.112 120.256 120.400 -0.054 0.000 2.002 75 K HA -0.135 4.185 4.320 0.001 0.000 0.209 75 K C 2.022 178.594 176.600 -0.046 0.000 1.048 75 K CA 1.619 57.876 56.287 -0.050 0.000 0.930 75 K CB -0.702 31.770 32.500 -0.048 0.000 0.714 75 K HN -0.051 nan 8.250 nan 0.000 0.438 76 A N 1.040 123.835 122.820 -0.042 0.000 1.940 76 A HA -0.131 4.189 4.320 0.001 0.000 0.219 76 A C 2.306 179.862 177.584 -0.046 0.000 1.176 76 A CA 1.998 54.012 52.037 -0.039 0.000 0.631 76 A CB -0.783 18.197 19.000 -0.034 0.000 0.814 76 A HN 0.528 nan 8.150 nan 0.000 0.446 77 A N -0.302 122.488 122.820 -0.050 0.000 1.855 77 A HA 0.000 4.321 4.320 0.001 0.000 0.215 77 A C 2.170 179.709 177.584 -0.075 0.000 1.191 77 A CA 1.405 53.409 52.037 -0.055 0.000 0.613 77 A CB -0.666 18.304 19.000 -0.050 0.000 0.829 77 A HN 0.447 nan 8.150 nan 0.000 0.442 78 L N -0.727 120.448 121.223 -0.080 0.000 2.079 78 L HA -0.238 4.103 4.340 0.001 0.000 0.210 78 L C 2.328 179.112 176.870 -0.142 0.000 1.081 78 L CA 1.980 56.753 54.840 -0.112 0.000 0.752 78 L CB -0.598 41.405 42.059 -0.093 0.000 0.896 78 L HN 0.498 nan 8.230 nan 0.000 0.433 79 D N -0.246 120.095 120.400 -0.098 0.000 2.117 79 D HA -0.222 4.419 4.640 0.001 0.000 0.197 79 D C 2.087 178.326 176.300 -0.101 0.000 0.987 79 D CA 0.722 54.669 54.000 -0.088 0.000 0.829 79 D CB 0.148 40.919 40.800 -0.048 0.000 0.961 79 D HN 0.082 nan 8.370 nan 0.000 0.460 80 L N -0.094 121.078 121.223 -0.087 0.000 2.012 80 L HA -0.143 4.197 4.340 0.001 0.000 0.210 80 L C 2.121 178.927 176.870 -0.105 0.000 1.073 80 L CA 1.447 56.242 54.840 -0.074 0.000 0.748 80 L CB -0.514 41.511 42.059 -0.056 0.000 0.891 80 L HN 0.021 nan 8.230 nan 0.000 0.431 81 V N -0.486 119.334 119.914 -0.156 0.000 2.270 81 V HA -0.335 3.786 4.120 0.001 0.000 0.245 81 V C 2.546 178.367 176.094 -0.456 0.000 1.043 81 V CA 2.321 64.483 62.300 -0.230 0.000 1.014 81 V CB -0.591 31.084 31.823 -0.246 0.000 0.645 81 V HN 0.444 nan 8.190 nan 0.000 0.447 82 M N -0.428 118.821 119.600 -0.584 0.000 2.267 82 M HA -0.188 4.293 4.480 0.001 0.000 0.263 82 M C 1.896 178.029 176.300 -0.278 0.000 1.063 82 M CA 1.473 56.327 55.300 -0.743 0.000 1.090 82 M CB -0.330 32.002 32.600 -0.446 0.000 1.392 82 M HN 0.328 nan 8.290 nan 0.000 0.422 83 Q N 0.035 119.750 119.800 -0.142 0.000 2.319 83 Q HA 0.145 4.485 4.340 0.001 0.000 0.202 83 Q C 0.645 176.652 176.000 0.011 0.000 0.896 83 Q CA 0.125 55.910 55.803 -0.029 0.000 0.942 83 Q CB -0.152 28.573 28.738 -0.021 0.000 1.083 83 Q HN 0.494 nan 8.270 nan 0.000 0.510 84 S N 0.324 116.031 115.700 0.012 0.000 2.576 84 S HA 0.187 4.657 4.470 0.001 0.000 0.276 84 S C 1.072 175.733 174.600 0.103 0.000 1.339 84 S CA -0.554 57.678 58.200 0.053 0.000 1.039 84 S CB 1.276 64.507 63.200 0.053 0.000 0.902 84 S HN -0.130 nan 8.310 nan 0.000 0.516 85 K N 2.218 122.658 120.400 0.066 0.000 2.211 85 K HA 0.007 4.327 4.320 0.001 0.000 0.203 85 K C 1.892 178.528 176.600 0.059 0.000 1.050 85 K CA 0.765 57.086 56.287 0.057 0.000 0.945 85 K CB -1.007 31.512 32.500 0.032 0.000 0.732 85 K HN 0.549 nan 8.250 nan 0.000 0.451 86 V N 0.531 120.487 119.914 0.071 0.000 2.453 86 V HA -0.164 3.956 4.120 0.001 0.000 0.247 86 V C 2.019 178.153 176.094 0.066 0.000 1.048 86 V CA 1.231 63.563 62.300 0.053 0.000 1.049 86 V CB -0.498 31.356 31.823 0.053 0.000 0.672 86 V HN 0.098 nan 8.190 nan 0.000 0.457 87 F N 1.202 121.138 119.950 -0.022 0.000 2.113 87 F HA -0.113 4.414 4.527 0.001 0.000 0.297 87 F C 2.559 178.342 175.800 -0.028 0.000 1.103 87 F CA 1.629 59.613 58.000 -0.027 0.000 1.248 87 F CB -0.091 38.895 39.000 -0.023 0.000 0.999 87 F HN 0.109 nan 8.300 nan 0.000 0.475 88 E N 0.517 120.834 120.200 0.194 0.000 2.171 88 E HA -0.248 4.102 4.350 0.001 0.000 0.197 88 E C 2.291 178.873 176.600 -0.029 0.000 0.997 88 E CA 1.208 57.660 56.400 0.088 0.000 0.810 88 E CB -0.702 29.048 29.700 0.083 0.000 0.738 88 E HN 0.534 nan 8.360 nan 0.000 0.467 89 A N 0.870 123.668 122.820 -0.037 0.000 1.874 89 A HA -0.051 4.269 4.320 0.001 0.000 0.214 89 A C 2.547 180.064 177.584 -0.111 0.000 1.189 89 A CA 0.966 52.968 52.037 -0.059 0.000 0.615 89 A CB -0.410 18.570 19.000 -0.034 0.000 0.830 89 A HN 0.125 nan 8.150 nan 0.000 0.443 90 V N -0.617 119.198 119.914 -0.166 0.000 2.667 90 V HA 0.002 4.123 4.120 0.001 0.000 0.252 90 V C 1.344 177.260 176.094 -0.296 0.000 1.065 90 V CA 1.754 63.928 62.300 -0.209 0.000 1.083 90 V CB 0.030 31.724 31.823 -0.215 0.000 0.692 90 V HN 0.478 nan 8.190 nan 0.000 0.468 91 S N 1.205 116.650 115.700 -0.425 0.000 2.216 91 S HA 0.359 4.830 4.470 0.001 0.000 0.156 91 S C -2.684 171.745 174.600 -0.285 0.000 1.665 91 S CA -1.114 56.819 58.200 -0.444 0.000 1.262 91 S CB 0.705 63.439 63.200 -0.778 0.000 1.207 91 S HN 0.265 nan 8.310 nan 0.000 0.427 92 P HA 0.326 nan 4.420 nan 0.000 0.275 92 P C -0.640 176.609 177.300 -0.084 0.000 1.227 92 P CA -0.110 62.935 63.100 -0.091 0.000 0.781 92 P CB 1.260 32.920 31.700 -0.066 0.000 0.906 93 S N 0.623 116.283 115.700 -0.067 0.000 2.595 93 S HA 0.790 5.261 4.470 0.001 0.000 0.281 93 S C -0.699 173.834 174.600 -0.111 0.000 1.117 93 S CA -0.783 57.359 58.200 -0.096 0.000 0.873 93 S CB 1.825 64.966 63.200 -0.098 0.000 1.108 93 S HN 0.593 nan 8.310 nan 0.000 0.477 94 S N -0.507 115.102 115.700 -0.153 0.000 2.595 94 S HA 0.371 4.842 4.470 0.001 0.000 0.270 94 S C -0.111 174.364 174.600 -0.209 0.000 1.145 94 S CA -0.587 57.523 58.200 -0.151 0.000 0.825 94 S CB 1.449 64.595 63.200 -0.090 0.000 1.107 94 S HN 0.798 nan 8.310 nan 0.000 0.461 95 E N 0.534 120.617 120.200 -0.196 0.000 2.208 95 E HA -0.052 4.299 4.350 0.001 0.000 0.193 95 E C -0.334 176.192 176.600 -0.123 0.000 0.988 95 E CA 0.532 56.814 56.400 -0.197 0.000 0.828 95 E CB 0.106 29.729 29.700 -0.128 0.000 0.763 95 E HN 0.503 nan 8.360 nan 0.000 0.478 96 D N 0.299 120.643 120.400 -0.093 0.000 2.483 96 D HA 0.002 4.642 4.640 0.001 0.000 0.220 96 D C -0.011 176.240 176.300 -0.081 0.000 1.173 96 D CA -0.306 53.650 54.000 -0.072 0.000 0.964 96 D CB 0.026 40.800 40.800 -0.043 0.000 1.046 96 D HN 0.122 nan 8.370 nan 0.000 0.517 97 c N 2.395 120.938 118.600 -0.095 0.000 3.772 97 c HA 0.375 4.946 4.570 0.001 0.000 0.293 97 c C 0.719 174.768 174.090 -0.069 0.000 1.659 97 c CA -0.681 55.603 56.329 -0.074 0.000 1.810 97 c CB -1.316 41.148 42.510 -0.076 0.000 3.059 97 c HN 0.441 nan 8.230 nan 0.000 0.617 98 L N 4.014 125.132 121.223 -0.174 0.000 2.395 98 L HA 0.342 4.682 4.340 0.001 0.000 0.268 98 L C 0.656 177.244 176.870 -0.469 0.000 1.223 98 L CA 0.843 55.462 54.840 -0.368 0.000 1.093 98 L CB -0.411 41.256 42.059 -0.653 0.000 1.349 98 L HN 0.606 nan 8.230 nan 0.000 0.427 99 T N -0.658 113.892 114.554 -0.007 0.000 2.930 99 T HA 0.733 5.084 4.350 0.001 0.000 0.290 99 T C -0.518 174.334 174.700 0.254 0.000 1.052 99 T CA -0.727 61.420 62.100 0.078 0.000 1.017 99 T CB 2.845 71.714 68.868 0.002 0.000 1.137 99 T HN 0.216 nan 8.240 nan 0.000 0.511 100 I N 0.741 121.302 120.570 -0.014 0.000 2.785 100 I HA 0.560 4.731 4.170 0.001 0.000 0.302 100 I C -1.516 174.462 176.117 -0.231 0.000 1.069 100 I CA -1.122 60.036 61.300 -0.236 0.000 1.045 100 I CB 2.057 39.626 38.000 -0.719 0.000 1.236 100 I HN 0.897 nan 8.210 nan 0.000 0.429 101 N N 5.150 123.775 118.700 -0.126 0.000 2.314 101 N HA 0.593 5.334 4.740 0.001 0.000 0.294 101 N C -1.674 173.797 175.510 -0.066 0.000 1.029 101 N CA -0.670 52.336 53.050 -0.073 0.000 0.845 101 N CB 2.534 41.052 38.487 0.051 0.000 1.321 101 N HN 0.126 nan 8.380 nan 0.000 0.481 102 V N 2.123 121.987 119.914 -0.083 0.000 2.376 102 V HA 0.434 4.554 4.120 0.001 0.000 0.287 102 V C -0.571 175.586 176.094 0.105 0.000 1.015 102 V CA -0.706 61.535 62.300 -0.098 0.000 0.834 102 V CB 1.390 32.870 31.823 -0.571 0.000 1.001 102 V HN 0.404 nan 8.190 nan 0.000 0.428 103 V N 6.472 126.468 119.914 0.137 0.000 2.448 103 V HA 0.706 4.826 4.120 0.001 0.000 0.295 103 V C 0.042 176.233 176.094 0.161 0.000 1.025 103 V CA -0.706 61.681 62.300 0.144 0.000 0.859 103 V CB 1.791 33.664 31.823 0.084 0.000 0.988 103 V HN 1.030 nan 8.190 nan 0.000 0.431 104 R N 3.873 124.475 120.500 0.170 0.000 2.855 104 R HA 0.745 5.085 4.340 0.001 0.000 0.266 104 R C -3.204 173.167 176.300 0.118 0.000 1.034 104 R CA -2.289 53.905 56.100 0.158 0.000 0.944 104 R CB 1.705 32.130 30.300 0.209 0.000 1.219 104 R HN 0.312 nan 8.270 nan 0.000 0.474 105 P HA 0.161 nan 4.420 nan 0.000 0.269 105 P C -2.471 174.874 177.300 0.075 0.000 1.209 105 P CA -1.098 62.045 63.100 0.072 0.000 0.776 105 P CB 0.116 31.854 31.700 0.063 0.000 0.876 106 P HA 0.049 nan 4.420 nan 0.000 0.265 106 P C 0.875 178.208 177.300 0.056 0.000 1.193 106 P CA 1.239 64.369 63.100 0.050 0.000 0.765 106 P CB 0.093 31.812 31.700 0.031 0.000 0.823 107 G N 1.428 110.267 108.800 0.064 0.000 2.179 107 G HA2 -0.225 3.736 3.960 0.001 0.000 0.260 107 G HA3 -0.225 3.736 3.960 0.001 0.000 0.260 107 G C 0.329 175.271 174.900 0.070 0.000 0.977 107 G CA 0.055 45.191 45.100 0.060 0.000 0.641 107 G HN 0.582 nan 8.290 nan 0.000 0.533 108 T N 0.726 115.335 114.554 0.092 0.000 2.930 108 T HA 0.518 4.868 4.350 0.001 0.000 0.306 108 T C 0.369 175.125 174.700 0.094 0.000 1.045 108 T CA 0.526 62.683 62.100 0.094 0.000 1.134 108 T CB 1.316 70.255 68.868 0.118 0.000 0.961 108 T HN 0.388 nan 8.240 nan 0.000 0.545 109 K N 0.777 121.216 120.400 0.065 0.000 2.395 109 K HA 0.698 5.018 4.320 0.001 0.000 0.247 109 K C -0.364 176.249 176.600 0.022 0.000 0.973 109 K CA -0.695 55.618 56.287 0.042 0.000 0.828 109 K CB 1.586 34.103 32.500 0.029 0.000 1.272 109 K HN 0.684 nan 8.250 nan 0.000 0.439 110 A N 0.606 123.418 122.820 -0.012 0.000 2.561 110 A HA 0.406 4.727 4.320 0.001 0.000 0.234 110 A C 1.204 178.779 177.584 -0.016 0.000 1.055 110 A CA 1.309 53.324 52.037 -0.036 0.000 0.756 110 A CB -0.975 17.980 19.000 -0.075 0.000 0.986 110 A HN 1.011 nan 8.150 nan 0.000 0.505 111 G N 0.531 109.324 108.800 -0.011 0.000 2.195 111 G HA2 -0.027 3.933 3.960 0.001 0.000 0.246 111 G HA3 -0.027 3.933 3.960 0.001 0.000 0.246 111 G C 1.252 176.156 174.900 0.007 0.000 0.984 111 G CA 1.105 46.202 45.100 -0.005 0.000 0.633 111 G HN 2.036 nan 8.290 nan 0.000 0.525 112 A N 0.545 123.376 122.820 0.017 0.000 2.024 112 A HA 0.138 4.459 4.320 0.001 0.000 0.220 112 A C 1.621 179.219 177.584 0.022 0.000 1.164 112 A CA 1.865 53.916 52.037 0.024 0.000 0.643 112 A CB -0.443 18.581 19.000 0.039 0.000 0.806 112 A HN 1.438 nan 8.150 nan 0.000 0.451 113 N N -1.194 117.519 118.700 0.022 0.000 2.740 113 N HA -0.134 4.606 4.740 0.001 0.000 0.248 113 N C -0.521 175.001 175.510 0.020 0.000 1.062 113 N CA 0.900 53.961 53.050 0.018 0.000 0.704 113 N CB -1.758 36.733 38.487 0.008 0.000 0.968 113 N HN 0.574 nan 8.380 nan 0.000 0.547 114 L N 0.095 121.337 121.223 0.032 0.000 2.417 114 L HA 0.312 4.652 4.340 0.001 0.000 0.268 114 L C -1.559 175.327 176.870 0.027 0.000 1.158 114 L CA -1.451 53.408 54.840 0.032 0.000 0.819 114 L CB 0.300 42.389 42.059 0.048 0.000 1.112 114 L HN -0.154 nan 8.230 nan 0.000 0.458 115 P HA 0.074 nan 4.420 nan 0.000 0.271 115 P C -0.956 176.354 177.300 0.017 0.000 1.218 115 P CA -0.156 62.946 63.100 0.004 0.000 0.780 115 P CB 0.838 32.530 31.700 -0.014 0.000 0.901 116 V N 4.155 124.078 119.914 0.015 0.000 2.459 116 V HA 0.391 4.512 4.120 0.001 0.000 0.295 116 V C 0.146 176.247 176.094 0.012 0.000 1.029 116 V CA -0.340 61.975 62.300 0.026 0.000 0.874 116 V CB 1.374 33.218 31.823 0.034 0.000 0.985 116 V HN 0.471 nan 8.190 nan 0.000 0.438 117 M N 5.780 125.388 119.600 0.014 0.000 2.072 117 M HA 0.478 4.958 4.480 0.001 0.000 0.331 117 M C -0.865 175.512 176.300 0.129 0.000 1.004 117 M CA -0.288 55.017 55.300 0.008 0.000 0.952 117 M CB 1.626 34.145 32.600 -0.135 0.000 1.511 117 M HN 0.470 nan 8.290 nan 0.000 0.422 118 L N 4.734 126.068 121.223 0.184 0.000 2.255 118 L HA 0.373 4.714 4.340 0.001 0.000 0.289 118 L C -0.905 176.025 176.870 0.100 0.000 1.046 118 L CA -0.257 54.630 54.840 0.079 0.000 0.816 118 L CB 0.629 42.664 42.059 -0.041 0.000 1.197 118 L HN 0.753 nan 8.230 nan 0.000 0.427 119 W N 8.053 129.175 121.300 -0.296 0.000 2.322 119 W HA 0.412 5.072 4.660 0.001 0.000 0.307 119 W C -1.402 174.858 176.519 -0.432 0.000 1.220 119 W CA -0.726 56.244 57.345 -0.625 0.000 1.210 119 W CB 1.120 30.246 29.460 -0.557 0.000 1.223 119 W HN 0.366 nan 8.180 nan 0.000 0.511 120 I N 9.409 129.157 120.570 -1.371 0.000 2.382 120 I HA 0.136 4.306 4.170 0.001 0.000 0.285 120 I C 0.115 175.254 176.117 -1.629 0.000 1.007 120 I CA -0.971 59.628 61.300 -1.167 0.000 1.142 120 I CB 0.541 38.038 38.000 -0.837 0.000 1.289 120 I HN 0.213 nan 8.210 nan 0.000 0.453 121 F N 4.149 123.443 119.950 -1.094 0.000 2.444 121 F HA 0.731 5.259 4.527 0.001 0.000 0.331 121 F C 0.642 176.179 175.800 -0.437 0.000 1.167 121 F CA -0.882 56.574 58.000 -0.906 0.000 1.262 121 F CB 0.230 38.901 39.000 -0.548 0.000 1.196 121 F HN 0.369 nan 8.300 nan 0.000 0.583 122 G N -0.164 108.607 108.800 -0.049 0.000 2.544 122 G HA2 0.519 4.480 3.960 0.001 0.000 0.313 122 G HA3 0.519 4.480 3.960 0.001 0.000 0.313 122 G C -0.390 174.597 174.900 0.146 0.000 1.316 122 G CA -0.633 44.443 45.100 -0.041 0.000 0.944 122 G HN 1.239 nan 8.290 nan 0.000 0.489 123 G N 0.210 109.046 108.800 0.059 0.000 4.831 123 G HA2 0.518 4.479 3.960 0.001 0.000 0.231 123 G HA3 0.518 4.479 3.960 0.001 0.000 0.231 123 G C 0.904 175.691 174.900 -0.188 0.000 1.006 123 G CA 0.422 45.554 45.100 0.054 0.000 0.792 123 G HN 1.855 nan 8.290 nan 0.000 0.546 124 G N 0.399 108.967 108.800 -0.387 0.000 2.233 124 G HA2 -0.267 3.693 3.960 0.001 0.000 0.270 124 G HA3 -0.267 3.693 3.960 0.001 0.000 0.270 124 G C 0.773 175.679 174.900 0.009 0.000 1.011 124 G CA 0.467 45.329 45.100 -0.398 0.000 0.762 124 G HN 1.309 nan 8.290 nan 0.000 0.511 125 F N -2.024 117.970 119.950 0.073 0.000 3.069 125 F HA -0.232 4.296 4.527 0.001 0.000 0.285 125 F C 1.344 177.341 175.800 0.329 0.000 0.827 125 F CA 1.852 59.935 58.000 0.138 0.000 1.108 125 F CB -1.761 37.117 39.000 -0.203 0.000 1.252 125 F HN 0.514 nan 8.300 nan 0.000 0.483 126 E N -1.459 119.005 120.200 0.439 0.000 2.535 126 E HA 0.358 4.708 4.350 0.001 0.000 0.216 126 E C 0.396 177.256 176.600 0.433 0.000 0.845 126 E CA 0.709 57.411 56.400 0.504 0.000 1.306 126 E CB 1.316 31.397 29.700 0.635 0.000 1.291 126 E HN 0.219 nan 8.360 nan 0.000 0.635 127 V N -2.713 117.428 119.914 0.379 0.000 3.182 127 V HA 0.969 5.089 4.120 0.001 0.000 0.308 127 V C -0.334 175.888 176.094 0.213 0.000 1.240 127 V CA -0.199 62.274 62.300 0.288 0.000 1.063 127 V CB 1.563 33.592 31.823 0.343 0.000 1.076 127 V HN 0.161 nan 8.190 nan 0.000 0.446 128 G N -1.172 107.657 108.800 0.048 0.000 2.375 128 G HA2 0.596 4.556 3.960 0.001 0.000 0.663 128 G HA3 0.596 4.556 3.960 0.001 0.000 0.663 128 G C -0.403 174.021 174.900 -0.793 0.000 1.391 128 G CA 0.057 44.997 45.100 -0.266 0.000 0.949 128 G HN 2.524 nan 8.290 nan 0.000 0.646 129 G N -1.511 106.548 108.800 -1.235 0.000 2.646 129 G HA2 0.779 4.740 3.960 0.001 0.000 0.291 129 G HA3 0.779 4.740 3.960 0.001 0.000 0.291 129 G C 0.756 175.309 174.900 -0.579 0.000 1.445 129 G CA 0.924 45.487 45.100 -0.895 0.000 0.814 129 G HN 1.816 nan 8.290 nan 0.000 0.495 130 T N -2.082 112.392 114.554 -0.133 0.000 2.942 130 T HA -0.059 4.291 4.350 0.001 0.000 0.265 130 T C 2.542 177.215 174.700 -0.045 0.000 1.062 130 T CA 1.956 64.191 62.100 0.226 0.000 1.139 130 T CB -0.355 68.736 68.868 0.371 0.000 0.883 130 T HN 1.052 nan 8.240 nan 0.000 0.468 131 S N 2.346 117.741 115.700 -0.509 0.000 2.440 131 S HA -0.128 4.343 4.470 0.001 0.000 0.238 131 S C 1.951 176.181 174.600 -0.617 0.000 1.010 131 S CA 1.288 58.821 58.200 -1.111 0.000 0.972 131 S CB -1.411 61.253 63.200 -0.894 0.000 0.774 131 S HN 0.782 nan 8.310 nan 0.000 0.501 132 T N -1.527 112.757 114.554 -0.450 0.000 3.144 132 T HA 0.351 4.702 4.350 0.001 0.000 0.249 132 T C -0.143 174.060 174.700 -0.828 0.000 1.089 132 T CA -0.397 61.353 62.100 -0.584 0.000 0.989 132 T CB -0.740 67.726 68.868 -0.670 0.000 0.992 132 T HN 0.351 nan 8.240 nan 0.000 0.540 133 F N 3.009 122.859 119.950 -0.168 0.000 2.449 133 F HA 0.371 4.899 4.527 0.001 0.000 0.344 133 F C -2.447 173.148 175.800 -0.343 0.000 1.180 133 F CA -2.981 54.872 58.000 -0.245 0.000 1.209 133 F CB 1.020 39.881 39.000 -0.231 0.000 1.440 133 F HN -0.077 nan 8.300 nan 0.000 0.526 134 P HA 0.021 nan 4.420 nan 0.000 0.262 134 P C -2.151 174.936 177.300 -0.356 0.000 1.199 134 P CA -0.876 62.034 63.100 -0.316 0.000 0.763 134 P CB 1.156 32.608 31.700 -0.413 0.000 0.790 135 P HA -0.031 nan 4.420 nan 0.000 0.240 135 P C 1.291 178.436 177.300 -0.259 0.000 1.190 135 P CA 0.480 63.259 63.100 -0.534 0.000 0.781 135 P CB 0.040 31.216 31.700 -0.874 0.000 0.931 136 A N 1.091 123.801 122.820 -0.184 0.000 1.927 136 A HA -0.275 4.045 4.320 0.001 0.000 0.220 136 A C 2.499 180.031 177.584 -0.087 0.000 1.185 136 A CA 2.151 54.123 52.037 -0.109 0.000 0.639 136 A CB -1.627 17.317 19.000 -0.094 0.000 0.820 136 A HN 0.253 nan 8.150 nan 0.000 0.451 137 Q N -1.654 118.079 119.800 -0.112 0.000 2.084 137 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 137 Q C 2.040 178.021 176.000 -0.032 0.000 0.978 137 Q CA 2.082 57.843 55.803 -0.070 0.000 0.844 137 Q CB -0.203 28.484 28.738 -0.085 0.000 0.898 137 Q HN 0.629 nan 8.270 nan 0.000 0.426 138 M N 0.044 119.626 119.600 -0.030 0.000 2.099 138 M HA -0.075 4.405 4.480 0.001 0.000 0.262 138 M C 1.722 178.042 176.300 0.033 0.000 1.067 138 M CA 1.478 56.796 55.300 0.030 0.000 1.124 138 M CB -0.107 32.550 32.600 0.096 0.000 1.353 138 M HN 0.310 nan 8.290 nan 0.000 0.410 139 I N -0.859 119.721 120.570 0.017 0.000 2.163 139 I HA -0.333 3.838 4.170 0.001 0.000 0.243 139 I C 2.038 178.166 176.117 0.020 0.000 1.085 139 I CA 1.753 63.071 61.300 0.030 0.000 1.347 139 I CB -0.874 37.139 38.000 0.022 0.000 1.044 139 I HN 0.327 nan 8.210 nan 0.000 0.408 140 T N 0.369 114.925 114.554 0.004 0.000 2.684 140 T HA -0.239 4.112 4.350 0.001 0.000 0.267 140 T C 1.914 176.618 174.700 0.008 0.000 1.036 140 T CA 1.742 63.844 62.100 0.003 0.000 1.148 140 T CB -0.220 68.644 68.868 -0.006 0.000 0.863 140 T HN 0.125 nan 8.240 nan 0.000 0.436 141 K N 1.915 122.320 120.400 0.007 0.000 2.063 141 K HA -0.095 4.225 4.320 0.001 0.000 0.208 141 K C 2.457 179.065 176.600 0.014 0.000 1.048 141 K CA 1.996 58.288 56.287 0.008 0.000 0.928 141 K CB -0.723 31.781 32.500 0.007 0.000 0.713 141 K HN 0.415 nan 8.250 nan 0.000 0.442 142 S N -0.104 115.609 115.700 0.022 0.000 2.382 142 S HA -0.130 4.340 4.470 0.001 0.000 0.228 142 S C 2.098 176.712 174.600 0.023 0.000 1.027 142 S CA 1.311 59.526 58.200 0.026 0.000 0.991 142 S CB -0.611 62.611 63.200 0.036 0.000 0.823 142 S HN 0.350 nan 8.310 nan 0.000 0.469 143 I N 2.341 122.924 120.570 0.022 0.000 2.202 143 I HA -0.085 4.086 4.170 0.001 0.000 0.242 143 I C 3.110 179.236 176.117 0.015 0.000 1.091 143 I CA 1.104 62.416 61.300 0.020 0.000 1.368 143 I CB -0.688 37.324 38.000 0.020 0.000 1.058 143 I HN 0.421 nan 8.210 nan 0.000 0.410 144 A N 0.359 123.186 122.820 0.012 0.000 1.978 144 A HA -0.224 4.096 4.320 0.001 0.000 0.220 144 A C 2.322 179.911 177.584 0.008 0.000 1.170 144 A CA 1.712 53.754 52.037 0.008 0.000 0.636 144 A CB -0.625 18.378 19.000 0.005 0.000 0.810 144 A HN 0.398 nan 8.150 nan 0.000 0.448 145 M N -1.661 117.945 119.600 0.010 0.000 2.562 145 M HA 0.095 4.575 4.480 0.001 0.000 0.257 145 M C 1.378 177.685 176.300 0.011 0.000 1.099 145 M CA 0.888 56.194 55.300 0.010 0.000 1.099 145 M CB 0.057 32.664 32.600 0.012 0.000 1.427 145 M HN 0.662 nan 8.290 nan 0.000 0.489 146 G N 1.685 110.492 108.800 0.013 0.000 2.147 146 G HA2 -0.261 3.699 3.960 0.001 0.000 0.244 146 G HA3 -0.261 3.699 3.960 0.001 0.000 0.244 146 G C 0.053 174.961 174.900 0.014 0.000 1.005 146 G CA 0.117 45.225 45.100 0.013 0.000 0.713 146 G HN 0.479 nan 8.290 nan 0.000 0.515 147 K N 0.845 121.254 120.400 0.016 0.000 3.146 147 K HA 0.243 4.564 4.320 0.001 0.000 0.168 147 K C -2.623 173.990 176.600 0.022 0.000 1.075 147 K CA -1.535 54.762 56.287 0.016 0.000 0.843 147 K CB 2.192 34.701 32.500 0.015 0.000 1.002 147 K HN 0.227 nan 8.250 nan 0.000 0.597 148 P HA 0.007 nan 4.420 nan 0.000 0.265 148 P C -0.416 176.908 177.300 0.039 0.000 1.193 148 P CA -0.000 63.121 63.100 0.035 0.000 0.765 148 P CB 0.475 32.197 31.700 0.037 0.000 0.823 149 I N 0.403 121.004 120.570 0.051 0.000 3.042 149 I HA 0.579 4.750 4.170 0.001 0.000 0.310 149 I C -0.560 175.609 176.117 0.086 0.000 1.117 149 I CA -1.452 59.882 61.300 0.056 0.000 1.003 149 I CB 1.797 39.824 38.000 0.044 0.000 1.228 149 I HN 0.136 nan 8.210 nan 0.000 0.443 150 I N 3.312 123.937 120.570 0.091 0.000 2.412 150 I HA 0.317 4.487 4.170 0.001 0.000 0.296 150 I C -0.665 175.543 176.117 0.153 0.000 0.987 150 I CA -0.590 60.782 61.300 0.120 0.000 1.180 150 I CB 1.216 39.276 38.000 0.101 0.000 1.340 150 I HN 0.639 nan 8.210 nan 0.000 0.455 151 H N 6.561 125.684 119.070 0.087 0.000 2.519 151 H HA 0.526 5.082 4.556 0.001 0.000 0.316 151 H C -1.532 173.860 175.328 0.107 0.000 1.065 151 H CA -0.374 55.750 56.048 0.126 0.000 1.264 151 H CB 1.579 31.417 29.762 0.126 0.000 1.413 151 H HN 0.245 nan 8.280 nan 0.000 0.465 152 V N 4.470 124.379 119.914 -0.009 0.000 2.604 152 V HA 0.354 4.475 4.120 0.001 0.000 0.305 152 V C -0.406 175.704 176.094 0.025 0.000 1.043 152 V CA -0.730 61.585 62.300 0.026 0.000 0.888 152 V CB 1.847 33.654 31.823 -0.026 0.000 0.995 152 V HN 0.901 nan 8.190 nan 0.000 0.429 153 S N 2.821 118.590 115.700 0.115 0.000 2.547 153 S HA 0.808 5.278 4.470 0.001 0.000 0.281 153 S C -1.156 173.498 174.600 0.089 0.000 1.118 153 S CA -0.778 57.538 58.200 0.192 0.000 0.947 153 S CB 1.915 65.398 63.200 0.471 0.000 1.053 153 S HN 0.742 nan 8.310 nan 0.000 0.482 154 V N 2.609 122.548 119.914 0.042 0.000 2.540 154 V HA 0.492 4.613 4.120 0.001 0.000 0.302 154 V C -0.522 175.723 176.094 0.251 0.000 1.035 154 V CA -0.853 61.446 62.300 -0.002 0.000 0.873 154 V CB 1.482 33.130 31.823 -0.291 0.000 0.992 154 V HN 1.069 nan 8.190 nan 0.000 0.428 155 N N 4.485 123.405 118.700 0.366 0.000 2.525 155 N HA 0.527 5.268 4.740 0.001 0.000 0.271 155 N C -1.606 174.176 175.510 0.455 0.000 1.194 155 N CA -0.120 53.206 53.050 0.460 0.000 0.964 155 N CB 0.949 39.615 38.487 0.300 0.000 1.126 155 N HN 0.735 nan 8.380 nan 0.000 0.452 156 Y N -1.645 118.809 120.300 0.257 0.000 2.597 156 Y HA 0.464 5.014 4.550 0.001 0.000 0.340 156 Y C -0.757 175.257 175.900 0.190 0.000 1.097 156 Y CA -1.417 56.774 58.100 0.151 0.000 1.037 156 Y CB 0.664 39.139 38.460 0.024 0.000 1.305 156 Y HN 0.228 nan 8.280 nan 0.000 0.463 157 R N 1.910 122.533 120.500 0.206 0.000 2.489 157 R HA 0.521 4.861 4.340 0.001 0.000 0.287 157 R C -0.493 175.936 176.300 0.216 0.000 1.053 157 R CA -0.285 55.898 56.100 0.138 0.000 1.036 157 R CB 0.884 31.260 30.300 0.127 0.000 0.966 157 R HN 0.693 nan 8.270 nan 0.000 0.432 158 V N -0.284 119.786 119.914 0.261 0.000 3.046 158 V HA 0.697 4.817 4.120 0.001 0.000 0.316 158 V C 0.643 177.051 176.094 0.522 0.000 1.104 158 V CA -0.677 61.897 62.300 0.457 0.000 1.006 158 V CB 1.654 33.673 31.823 0.327 0.000 1.058 158 V HN 1.013 nan 8.190 nan 0.000 0.440 159 S N 1.311 117.321 115.700 0.517 0.000 3.521 159 S HA -0.269 4.201 4.470 0.001 0.000 0.631 159 S C 1.637 175.975 174.600 -0.436 0.000 2.557 159 S CA 2.016 60.261 58.200 0.075 0.000 3.244 159 S CB -1.801 61.545 63.200 0.244 0.000 0.300 159 S HN 2.756 nan 8.310 nan 0.000 1.439 160 S N 0.925 115.949 115.700 -1.127 0.000 2.383 160 S HA -0.135 4.335 4.470 0.001 0.000 0.229 160 S C 1.852 176.354 174.600 -0.163 0.000 1.030 160 S CA 1.729 59.430 58.200 -0.832 0.000 1.002 160 S CB -0.908 61.794 63.200 -0.829 0.000 0.829 160 S HN 0.672 nan 8.310 nan 0.000 0.467 161 W N 1.719 123.082 121.300 0.105 0.000 2.342 161 W HA 0.085 4.746 4.660 0.001 0.000 0.297 161 W C 2.429 179.039 176.519 0.151 0.000 1.213 161 W CA 1.044 58.495 57.345 0.176 0.000 1.251 161 W CB -1.050 28.434 29.460 0.041 0.000 1.136 161 W HN 0.621 nan 8.180 nan 0.000 0.526 162 G N -2.798 106.163 108.800 0.268 0.000 2.944 162 G HA2 0.129 4.089 3.960 0.001 0.000 0.223 162 G HA3 0.129 4.089 3.960 0.001 0.000 0.223 162 G C 0.248 174.883 174.900 -0.442 0.000 1.071 162 G CA -0.097 44.964 45.100 -0.066 0.000 0.806 162 G HN 0.052 nan 8.290 nan 0.000 0.538 163 F N 0.385 120.483 119.950 0.247 0.000 2.810 163 F HA 0.460 4.987 4.527 0.001 0.000 0.353 163 F C 0.024 175.976 175.800 0.254 0.000 1.227 163 F CA -1.043 57.096 58.000 0.231 0.000 1.210 163 F CB 0.744 39.895 39.000 0.250 0.000 1.039 163 F HN -0.101 nan 8.300 nan 0.000 0.509 164 L N 1.561 122.944 121.223 0.266 0.000 2.426 164 L HA 0.640 4.981 4.340 0.001 0.000 0.271 164 L C 0.239 177.173 176.870 0.107 0.000 1.169 164 L CA 0.194 55.141 54.840 0.177 0.000 0.836 164 L CB 0.330 42.313 42.059 -0.127 0.000 1.112 164 L HN 0.241 nan 8.230 nan 0.000 0.465 165 A N 2.630 125.497 122.820 0.079 0.000 2.726 165 A HA 1.002 5.322 4.320 0.001 0.000 0.248 165 A C 0.052 177.555 177.584 -0.136 0.000 1.249 165 A CA -0.184 51.846 52.037 -0.012 0.000 0.846 165 A CB 0.525 19.532 19.000 0.011 0.000 1.391 165 A HN 1.695 nan 8.150 nan 0.000 0.497 166 G N -1.391 107.312 108.800 -0.161 0.000 2.541 166 G HA2 0.091 4.051 3.960 0.001 0.000 0.686 166 G HA3 0.091 4.051 3.960 0.001 0.000 0.686 166 G C -0.275 174.445 174.900 -0.301 0.000 1.286 166 G CA 0.269 45.209 45.100 -0.267 0.000 0.894 166 G HN 0.603 nan 8.290 nan 0.000 0.575 167 D N 0.207 120.440 120.400 -0.277 0.000 2.123 167 D HA -0.060 4.580 4.640 0.001 0.000 0.196 167 D C 2.242 178.396 176.300 -0.244 0.000 0.992 167 D CA 1.925 55.801 54.000 -0.206 0.000 0.833 167 D CB -0.011 40.703 40.800 -0.143 0.000 0.954 167 D HN 0.617 nan 8.370 nan 0.000 0.455 168 E N 0.275 120.236 120.200 -0.399 0.000 2.047 168 E HA -0.094 4.257 4.350 0.001 0.000 0.191 168 E C 2.226 178.677 176.600 -0.248 0.000 0.987 168 E CA 0.322 56.531 56.400 -0.319 0.000 0.799 168 E CB -0.056 29.407 29.700 -0.394 0.000 0.752 168 E HN 0.193 nan 8.360 nan 0.000 0.449 169 I N 1.194 121.567 120.570 -0.327 0.000 2.163 169 I HA -0.276 3.895 4.170 0.001 0.000 0.243 169 I C 2.295 178.349 176.117 -0.105 0.000 1.085 169 I CA 1.451 62.644 61.300 -0.178 0.000 1.347 169 I CB -0.817 37.077 38.000 -0.177 0.000 1.044 169 I HN 0.140 nan 8.210 nan 0.000 0.408 170 K N 1.181 121.509 120.400 -0.120 0.000 2.026 170 K HA -0.163 4.158 4.320 0.001 0.000 0.208 170 K C 2.184 178.748 176.600 -0.060 0.000 1.048 170 K CA 1.709 57.949 56.287 -0.077 0.000 0.929 170 K CB -0.099 32.354 32.500 -0.078 0.000 0.713 170 K HN 0.225 nan 8.250 nan 0.000 0.439 171 A N 1.055 123.833 122.820 -0.070 0.000 2.024 171 A HA -0.218 4.102 4.320 0.001 0.000 0.220 171 A C 1.925 179.492 177.584 -0.029 0.000 1.164 171 A CA 1.904 53.912 52.037 -0.048 0.000 0.643 171 A CB -0.482 18.486 19.000 -0.053 0.000 0.806 171 A HN 0.643 nan 8.150 nan 0.000 0.451 172 E N -1.324 118.859 120.200 -0.028 0.000 2.385 172 E HA 0.227 4.577 4.350 0.001 0.000 0.194 172 E C 1.057 177.664 176.600 0.010 0.000 1.013 172 E CA 0.588 56.987 56.400 -0.002 0.000 0.866 172 E CB -0.164 29.541 29.700 0.009 0.000 0.832 172 E HN 0.715 nan 8.360 nan 0.000 0.500 173 G N 0.756 109.556 108.800 0.001 0.000 2.149 173 G HA2 -0.235 3.726 3.960 0.001 0.000 0.235 173 G HA3 -0.235 3.726 3.960 0.001 0.000 0.235 173 G C 0.519 175.440 174.900 0.034 0.000 1.018 173 G CA 0.546 45.652 45.100 0.011 0.000 0.728 173 G HN 0.257 nan 8.290 nan 0.000 0.508 174 S N -0.156 115.566 115.700 0.037 0.000 2.574 174 S HA 0.622 5.092 4.470 0.001 0.000 0.242 174 S C 1.200 175.841 174.600 0.069 0.000 0.982 174 S CA 0.469 58.711 58.200 0.069 0.000 0.977 174 S CB 0.592 63.849 63.200 0.095 0.000 0.814 174 S HN 1.443 nan 8.310 nan 0.000 0.464 175 A N 2.278 125.127 122.820 0.049 0.000 2.445 175 A HA 0.426 4.746 4.320 0.001 0.000 0.242 175 A C 0.687 178.335 177.584 0.107 0.000 1.075 175 A CA -0.376 51.697 52.037 0.059 0.000 0.777 175 A CB -0.076 18.940 19.000 0.026 0.000 1.013 175 A HN 0.455 nan 8.150 nan 0.000 0.493 176 N N -0.410 118.372 118.700 0.136 0.000 2.725 176 N HA -0.239 4.502 4.740 0.001 0.000 0.251 176 N C 0.985 176.521 175.510 0.043 0.000 1.031 176 N CA 0.981 54.136 53.050 0.174 0.000 0.720 176 N CB -1.499 37.169 38.487 0.303 0.000 0.930 176 N HN 0.983 nan 8.380 nan 0.000 0.543 177 A N 0.202 122.983 122.820 -0.066 0.000 1.908 177 A HA -0.038 4.283 4.320 0.001 0.000 0.218 177 A C 2.320 179.833 177.584 -0.118 0.000 1.181 177 A CA 2.232 54.247 52.037 -0.037 0.000 0.627 177 A CB -0.817 18.193 19.000 0.016 0.000 0.818 177 A HN 0.548 nan 8.150 nan 0.000 0.445 178 G N -0.357 108.174 108.800 -0.447 0.000 2.442 178 G HA2 -0.176 3.784 3.960 0.001 0.000 0.219 178 G HA3 -0.176 3.784 3.960 0.001 0.000 0.219 178 G C 1.525 176.405 174.900 -0.034 0.000 1.141 178 G CA 1.078 46.029 45.100 -0.249 0.000 0.763 178 G HN 0.454 nan 8.290 nan 0.000 0.554 179 L N -0.460 120.747 121.223 -0.026 0.000 2.156 179 L HA 0.038 4.379 4.340 0.001 0.000 0.208 179 L C 2.893 179.678 176.870 -0.142 0.000 1.095 179 L CA 0.937 55.740 54.840 -0.061 0.000 0.770 179 L CB -0.195 41.869 42.059 0.008 0.000 0.914 179 L HN 0.163 nan 8.230 nan 0.000 0.439 180 K N -0.179 120.213 120.400 -0.012 0.000 2.148 180 K HA -0.146 4.174 4.320 0.001 0.000 0.204 180 K C 1.630 178.252 176.600 0.036 0.000 1.050 180 K CA 1.167 57.473 56.287 0.032 0.000 0.942 180 K CB -0.065 32.532 32.500 0.162 0.000 0.724 180 K HN 0.231 nan 8.250 nan 0.000 0.446 181 D N 1.081 121.526 120.400 0.075 0.000 2.097 181 D HA -0.167 4.474 4.640 0.001 0.000 0.195 181 D C 1.947 178.317 176.300 0.116 0.000 0.989 181 D CA 1.282 55.397 54.000 0.191 0.000 0.827 181 D CB -0.148 40.800 40.800 0.246 0.000 0.966 181 D HN 0.257 nan 8.370 nan 0.000 0.456 182 Q N 0.016 119.784 119.800 -0.053 0.000 2.096 182 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 182 Q C 2.236 178.040 176.000 -0.327 0.000 0.982 182 Q CA 1.066 56.727 55.803 -0.236 0.000 0.850 182 Q CB -0.018 28.547 28.738 -0.290 0.000 0.901 182 Q HN 0.005 nan 8.270 nan 0.000 0.422 183 R N 0.781 121.119 120.500 -0.271 0.000 2.081 183 R HA -0.136 4.205 4.340 0.001 0.000 0.235 183 R C 1.973 178.144 176.300 -0.214 0.000 1.131 183 R CA 1.004 56.915 56.100 -0.316 0.000 0.960 183 R CB -0.634 29.471 30.300 -0.326 0.000 0.856 183 R HN 0.241 nan 8.270 nan 0.000 0.436 184 L N -0.292 120.880 121.223 -0.085 0.000 2.046 184 L HA 0.062 4.402 4.340 0.001 0.000 0.208 184 L C 2.028 178.843 176.870 -0.091 0.000 1.077 184 L CA 2.307 57.152 54.840 0.009 0.000 0.747 184 L CB -1.100 41.097 42.059 0.230 0.000 0.896 184 L HN 0.301 nan 8.230 nan 0.000 0.432 185 G N -0.890 107.695 108.800 -0.359 0.000 2.422 185 G HA2 -0.293 3.667 3.960 0.001 0.000 0.218 185 G HA3 -0.293 3.667 3.960 0.001 0.000 0.218 185 G C 1.578 176.299 174.900 -0.297 0.000 1.146 185 G CA 1.049 45.730 45.100 -0.697 0.000 0.769 185 G HN 0.397 nan 8.290 nan 0.000 0.547 186 M N -0.117 119.313 119.600 -0.282 0.000 2.117 186 M HA -0.102 4.378 4.480 0.001 0.000 0.262 186 M C 2.818 179.014 176.300 -0.174 0.000 1.065 186 M CA 1.428 56.605 55.300 -0.205 0.000 1.114 186 M CB -0.240 32.216 32.600 -0.241 0.000 1.361 186 M HN 0.262 nan 8.290 nan 0.000 0.408 187 Q N -1.326 118.300 119.800 -0.289 0.000 2.167 187 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 187 Q C 1.782 177.664 176.000 -0.196 0.000 0.970 187 Q CA 1.621 57.093 55.803 -0.552 0.000 0.855 187 Q CB -0.244 27.988 28.738 -0.843 0.000 0.911 187 Q HN 0.653 nan 8.270 nan 0.000 0.438 188 W N 0.304 121.475 121.300 -0.215 0.000 2.388 188 W HA -0.176 4.485 4.660 0.001 0.000 0.294 188 W C 1.776 178.250 176.519 -0.075 0.000 1.212 188 W CA 1.030 58.317 57.345 -0.096 0.000 1.271 188 W CB 0.023 29.416 29.460 -0.112 0.000 1.126 188 W HN -0.168 nan 8.180 nan 0.000 0.535 189 V N 1.243 121.294 119.914 0.229 0.000 2.295 189 V HA -0.314 3.807 4.120 0.001 0.000 0.246 189 V C 2.544 178.631 176.094 -0.012 0.000 1.049 189 V CA 2.170 64.549 62.300 0.132 0.000 1.024 189 V CB -1.650 30.229 31.823 0.094 0.000 0.648 189 V HN 0.322 nan 8.190 nan 0.000 0.447 190 A N -0.022 122.800 122.820 0.002 0.000 1.892 190 A HA -0.298 4.023 4.320 0.001 0.000 0.218 190 A C 1.982 179.581 177.584 0.024 0.000 1.188 190 A CA 2.341 54.410 52.037 0.053 0.000 0.631 190 A CB -0.665 18.442 19.000 0.178 0.000 0.822 190 A HN 0.568 nan 8.150 nan 0.000 0.447 191 D N -0.765 119.626 120.400 -0.014 0.000 2.234 191 D HA -0.036 4.605 4.640 0.001 0.000 0.205 191 D C 1.260 177.415 176.300 -0.241 0.000 0.962 191 D CA 0.914 54.864 54.000 -0.083 0.000 0.855 191 D CB -0.171 40.596 40.800 -0.054 0.000 0.951 191 D HN 0.524 nan 8.370 nan 0.000 0.500 192 N N -0.190 118.255 118.700 -0.426 0.000 2.210 192 N HA 0.029 4.769 4.740 0.001 0.000 0.203 192 N C 1.554 176.955 175.510 -0.182 0.000 1.175 192 N CA -0.158 52.600 53.050 -0.486 0.000 0.894 192 N CB 1.029 38.834 38.487 -1.137 0.000 1.041 192 N HN 0.034 nan 8.380 nan 0.000 0.506 193 I N 2.433 122.961 120.570 -0.071 0.000 2.454 193 I HA -0.140 4.030 4.170 0.001 0.000 0.254 193 I C 2.194 178.393 176.117 0.136 0.000 1.156 193 I CA 0.657 62.042 61.300 0.141 0.000 1.433 193 I CB -0.177 37.873 38.000 0.083 0.000 1.082 193 I HN 0.049 nan 8.210 nan 0.000 0.432 194 A N 0.274 123.105 122.820 0.018 0.000 1.978 194 A HA -0.157 4.164 4.320 0.001 0.000 0.220 194 A C 2.477 180.030 177.584 -0.052 0.000 1.170 194 A CA 1.679 53.711 52.037 -0.009 0.000 0.636 194 A CB -1.119 17.860 19.000 -0.036 0.000 0.810 194 A HN 0.486 nan 8.150 nan 0.000 0.448 195 A N -1.590 121.145 122.820 -0.140 0.000 2.070 195 A HA 0.069 4.390 4.320 0.001 0.000 0.220 195 A C 1.694 179.007 177.584 -0.452 0.000 1.159 195 A CA 1.266 53.109 52.037 -0.323 0.000 0.656 195 A CB -0.626 18.082 19.000 -0.485 0.000 0.800 195 A HN 0.500 nan 8.150 nan 0.000 0.453 196 F N -1.529 118.341 119.950 -0.132 0.000 2.754 196 F HA 0.355 4.883 4.527 0.001 0.000 0.297 196 F C 1.877 177.655 175.800 -0.037 0.000 1.122 196 F CA 0.793 58.716 58.000 -0.128 0.000 1.400 196 F CB 0.388 39.305 39.000 -0.138 0.000 1.117 196 F HN 0.350 nan 8.300 nan 0.000 0.587 197 G N -0.143 108.724 108.800 0.112 0.000 2.192 197 G HA2 -0.102 3.859 3.960 0.001 0.000 0.193 197 G HA3 -0.102 3.859 3.960 0.001 0.000 0.193 197 G C 0.496 175.446 174.900 0.083 0.000 0.999 197 G CA -0.420 44.730 45.100 0.083 0.000 0.659 197 G HN 0.666 nan 8.290 nan 0.000 0.503 198 G N -0.505 108.355 108.800 0.100 0.000 2.437 198 G HA2 0.509 4.470 3.960 0.001 0.000 0.319 198 G HA3 0.509 4.470 3.960 0.001 0.000 0.319 198 G C -1.110 173.816 174.900 0.044 0.000 1.158 198 G CA 0.057 45.200 45.100 0.073 0.000 0.899 198 G HN 0.140 nan 8.290 nan 0.000 0.502 199 D N 1.158 121.576 120.400 0.031 0.000 2.373 199 D HA 0.273 4.913 4.640 0.001 0.000 0.227 199 D C -1.141 175.169 176.300 0.017 0.000 1.091 199 D CA -2.201 51.809 54.000 0.016 0.000 0.840 199 D CB 2.165 42.970 40.800 0.009 0.000 1.060 199 D HN 0.045 nan 8.370 nan 0.000 0.502 200 P HA -0.131 nan 4.420 nan 0.000 0.221 200 P C 1.008 178.318 177.300 0.017 0.000 1.145 200 P CA 1.026 64.138 63.100 0.019 0.000 0.795 200 P CB 0.017 31.726 31.700 0.016 0.000 0.775 201 T N -4.060 110.498 114.554 0.007 0.000 3.129 201 T HA 0.120 4.470 4.350 0.001 0.000 0.251 201 T C 1.129 175.827 174.700 -0.004 0.000 1.117 201 T CA 0.193 62.292 62.100 -0.001 0.000 1.034 201 T CB -0.372 68.490 68.868 -0.009 0.000 0.968 201 T HN 0.083 nan 8.240 nan 0.000 0.526 202 K N 1.739 122.139 120.400 0.001 0.000 3.135 202 K HA 0.395 4.715 4.320 0.001 0.000 0.210 202 K C -0.932 175.670 176.600 0.003 0.000 1.176 202 K CA -0.262 56.020 56.287 -0.009 0.000 1.064 202 K CB 1.257 33.748 32.500 -0.015 0.000 1.009 202 K HN 0.208 nan 8.250 nan 0.000 0.472 203 V N 1.390 121.322 119.914 0.029 0.000 2.432 203 V HA 0.182 4.302 4.120 0.001 0.000 0.275 203 V C 0.283 176.424 176.094 0.079 0.000 1.043 203 V CA -0.205 62.127 62.300 0.054 0.000 0.925 203 V CB 1.499 33.371 31.823 0.081 0.000 0.985 203 V HN 0.224 nan 8.190 nan 0.000 0.466 204 T N 6.517 121.096 114.554 0.042 0.000 2.779 204 T HA 0.603 4.954 4.350 0.001 0.000 0.280 204 T C -0.167 174.565 174.700 0.053 0.000 0.987 204 T CA -0.202 61.923 62.100 0.042 0.000 0.966 204 T CB 0.898 69.755 68.868 -0.019 0.000 0.933 204 T HN 0.609 nan 8.240 nan 0.000 0.442 205 I N 1.690 122.260 120.570 0.000 0.000 2.428 205 I HA 0.913 5.084 4.170 0.001 0.000 0.296 205 I C -0.844 175.336 176.117 0.106 0.000 0.985 205 I CA -1.004 60.267 61.300 -0.050 0.000 1.260 205 I CB 1.164 38.922 38.000 -0.404 0.000 1.389 205 I HN 0.559 nan 8.210 nan 0.000 0.484 206 F N 2.684 122.521 119.950 -0.189 0.000 2.678 206 F HA 0.969 5.496 4.527 0.001 0.000 0.308 206 F C -0.592 175.041 175.800 -0.278 0.000 1.118 206 F CA -0.856 57.058 58.000 -0.144 0.000 0.959 206 F CB 1.223 40.216 39.000 -0.011 0.000 1.305 206 F HN 0.876 nan 8.300 nan 0.000 0.443 207 G N 0.932 109.459 108.800 -0.455 0.000 2.559 207 G HA2 0.505 4.465 3.960 0.001 0.000 0.291 207 G HA3 0.505 4.465 3.960 0.001 0.000 0.291 207 G C -2.556 172.096 174.900 -0.414 0.000 1.424 207 G CA -0.767 43.742 45.100 -0.984 0.000 0.786 207 G HN 0.885 nan 8.290 nan 0.000 0.485 208 E N 0.075 120.034 120.200 -0.401 0.000 2.288 208 E HA 0.627 4.978 4.350 0.001 0.000 0.268 208 E C 0.705 177.265 176.600 -0.066 0.000 0.885 208 E CA 0.311 56.679 56.400 -0.054 0.000 0.767 208 E CB 2.181 31.967 29.700 0.144 0.000 1.220 208 E HN 0.947 nan 8.360 nan 0.000 0.427 209 S N 2.789 118.532 115.700 0.072 0.000 4.138 209 S HA -0.406 4.065 4.470 0.001 0.000 0.574 209 S C 1.518 176.140 174.600 0.036 0.000 1.895 209 S CA 2.526 60.886 58.200 0.267 0.000 4.239 209 S CB -1.625 61.821 63.200 0.410 0.000 0.264 209 S HN 1.012 nan 8.310 nan 0.000 0.489 210 A N 0.977 123.690 122.820 -0.177 0.000 2.024 210 A HA 0.146 4.466 4.320 0.001 0.000 0.220 210 A C 2.468 179.742 177.584 -0.517 0.000 1.164 210 A CA 2.404 54.041 52.037 -0.667 0.000 0.643 210 A CB -1.523 16.727 19.000 -1.249 0.000 0.806 210 A HN 1.583 nan 8.150 nan 0.000 0.451 211 G N -1.335 107.208 108.800 -0.427 0.000 2.448 211 G HA2 -0.078 3.883 3.960 0.001 0.000 0.218 211 G HA3 -0.078 3.883 3.960 0.001 0.000 0.218 211 G C 1.828 176.480 174.900 -0.413 0.000 1.135 211 G CA 1.278 46.056 45.100 -0.536 0.000 0.784 211 G HN 0.554 nan 8.290 nan 0.000 0.543 212 S N -0.021 115.518 115.700 -0.269 0.000 2.371 212 S HA 0.003 4.473 4.470 0.001 0.000 0.224 212 S C 2.455 176.957 174.600 -0.162 0.000 1.029 212 S CA 1.009 59.101 58.200 -0.180 0.000 0.978 212 S CB -0.256 62.909 63.200 -0.058 0.000 0.833 212 S HN 0.350 nan 8.310 nan 0.000 0.466 213 M N 0.733 120.272 119.600 -0.102 0.000 2.296 213 M HA -0.016 4.464 4.480 0.001 0.000 0.265 213 M C 2.339 178.586 176.300 -0.088 0.000 1.064 213 M CA 0.912 56.171 55.300 -0.068 0.000 1.109 213 M CB -0.389 32.252 32.600 0.067 0.000 1.396 213 M HN 0.238 nan 8.290 nan 0.000 0.430 214 S N 0.338 115.975 115.700 -0.105 0.000 2.368 214 S HA -0.098 4.372 4.470 0.001 0.000 0.224 214 S C 1.990 176.458 174.600 -0.219 0.000 1.029 214 S CA 1.119 59.212 58.200 -0.179 0.000 0.988 214 S CB -0.259 62.776 63.200 -0.275 0.000 0.838 214 S HN 0.250 nan 8.310 nan 0.000 0.462 215 V N 1.754 121.539 119.914 -0.214 0.000 2.332 215 V HA -0.222 3.899 4.120 0.001 0.000 0.248 215 V C 2.348 178.312 176.094 -0.216 0.000 1.055 215 V CA 2.079 64.246 62.300 -0.223 0.000 1.038 215 V CB -0.567 31.102 31.823 -0.258 0.000 0.651 215 V HN 0.447 nan 8.190 nan 0.000 0.450 216 M N -0.079 119.375 119.600 -0.243 0.000 2.080 216 M HA -0.182 4.299 4.480 0.001 0.000 0.260 216 M C 2.166 178.378 176.300 -0.147 0.000 1.068 216 M CA 2.032 57.173 55.300 -0.264 0.000 1.109 216 M CB -1.085 31.321 32.600 -0.324 0.000 1.342 216 M HN 0.406 nan 8.290 nan 0.000 0.405 217 C N -0.061 119.142 119.300 -0.162 0.000 2.411 217 C HA -0.170 4.290 4.460 0.001 0.000 0.279 217 C C 2.647 177.598 174.990 -0.066 0.000 1.288 217 C CA 0.967 59.920 59.018 -0.109 0.000 1.764 217 C CB -1.774 25.861 27.740 -0.175 0.000 1.974 217 C HN 0.551 nan 8.230 nan 0.000 0.498 218 H N -0.110 118.950 119.070 -0.016 0.000 2.462 218 H HA 0.100 4.656 4.556 0.001 0.000 0.292 218 H C 2.172 177.657 175.328 0.262 0.000 1.049 218 H CA 1.122 57.175 56.048 0.009 0.000 1.334 218 H CB -0.170 29.422 29.762 -0.283 0.000 1.404 218 H HN 0.507 nan 8.280 nan 0.000 0.544 219 I N 0.385 121.120 120.570 0.274 0.000 2.617 219 I HA -0.169 4.001 4.170 0.001 0.000 0.256 219 I C 1.812 178.155 176.117 0.376 0.000 1.167 219 I CA 0.715 62.240 61.300 0.374 0.000 1.469 219 I CB 0.088 38.211 38.000 0.204 0.000 1.098 219 I HN 0.117 nan 8.210 nan 0.000 0.436 220 L N -0.845 120.553 121.223 0.292 0.000 2.529 220 L HA 0.019 4.360 4.340 0.001 0.000 0.223 220 L C 1.054 178.084 176.870 0.267 0.000 1.113 220 L CA -0.219 54.779 54.840 0.263 0.000 0.861 220 L CB -0.238 41.922 42.059 0.169 0.000 1.012 220 L HN 0.337 nan 8.230 nan 0.000 0.461 221 W N 3.085 124.445 121.300 0.100 0.000 2.314 221 W HA -0.142 4.519 4.660 0.001 0.000 0.339 221 W C 0.342 176.920 176.519 0.098 0.000 1.293 221 W CA 0.459 57.858 57.345 0.089 0.000 1.288 221 W CB 0.309 29.851 29.460 0.137 0.000 1.186 221 W HN 0.331 nan 8.180 nan 0.000 0.566 222 N N 4.195 122.783 118.700 -0.186 0.000 2.714 222 N HA -0.248 4.493 4.740 0.001 0.000 0.252 222 N C -0.120 175.400 175.510 0.017 0.000 1.014 222 N CA 1.930 54.924 53.050 -0.093 0.000 0.735 222 N CB -1.434 37.095 38.487 0.071 0.000 0.924 222 N HN 0.454 nan 8.380 nan 0.000 0.540 223 D N -2.015 118.386 120.400 0.002 0.000 2.882 223 D HA -0.212 4.428 4.640 0.001 0.000 0.229 223 D C 1.213 177.554 176.300 0.068 0.000 1.167 223 D CA 2.412 56.427 54.000 0.024 0.000 0.759 223 D CB -1.322 39.470 40.800 -0.013 0.000 1.088 223 D HN 0.917 nan 8.370 nan 0.000 0.425 224 G N -0.149 108.739 108.800 0.147 0.000 2.184 224 G HA2 -0.259 3.701 3.960 0.001 0.000 0.206 224 G HA3 -0.259 3.701 3.960 0.001 0.000 0.206 224 G C -0.145 174.849 174.900 0.157 0.000 0.995 224 G CA 0.131 45.343 45.100 0.187 0.000 0.651 224 G HN 0.511 nan 8.290 nan 0.000 0.511 225 D N 1.593 122.074 120.400 0.136 0.000 2.365 225 D HA 0.370 5.011 4.640 0.001 0.000 0.237 225 D C 1.115 177.501 176.300 0.144 0.000 1.190 225 D CA -0.232 53.833 54.000 0.108 0.000 0.867 225 D CB 0.106 40.958 40.800 0.086 0.000 1.050 225 D HN 0.301 nan 8.370 nan 0.000 0.491 226 N N 2.138 120.872 118.700 0.056 0.000 2.380 226 N HA 0.004 4.744 4.740 0.001 0.000 0.255 226 N C -0.462 175.003 175.510 -0.074 0.000 1.158 226 N CA -0.481 52.550 53.050 -0.032 0.000 0.878 226 N CB -0.056 38.217 38.487 -0.356 0.000 1.138 226 N HN 0.284 nan 8.380 nan 0.000 0.509 227 T N -2.619 111.949 114.554 0.024 0.000 2.934 227 T HA 0.434 4.784 4.350 0.001 0.000 0.283 227 T C -0.997 173.795 174.700 0.154 0.000 1.005 227 T CA -0.647 61.480 62.100 0.044 0.000 1.041 227 T CB 1.636 70.518 68.868 0.023 0.000 1.042 227 T HN 0.191 nan 8.240 nan 0.000 0.505 228 Y N 0.799 121.094 120.300 -0.008 0.000 2.361 228 Y HA 0.387 4.937 4.550 0.001 0.000 0.328 228 Y C 0.102 176.002 175.900 0.000 0.000 1.044 228 Y CA -1.431 56.676 58.100 0.011 0.000 1.085 228 Y CB 1.169 39.636 38.460 0.011 0.000 1.194 228 Y HN 0.980 nan 8.280 nan 0.000 0.438 229 K N 4.609 124.774 120.400 -0.391 0.000 3.071 229 K HA -0.219 4.101 4.320 0.001 0.000 0.265 229 K C 0.885 177.388 176.600 -0.162 0.000 1.060 229 K CA 1.090 57.164 56.287 -0.354 0.000 0.767 229 K CB -1.610 30.566 32.500 -0.540 0.000 1.241 229 K HN 1.511 nan 8.250 nan 0.000 0.486 230 G N -0.457 108.291 108.800 -0.086 0.000 2.179 230 G HA2 -0.348 3.612 3.960 0.001 0.000 0.260 230 G HA3 -0.348 3.612 3.960 0.001 0.000 0.260 230 G C -0.081 174.799 174.900 -0.035 0.000 0.977 230 G CA 0.937 46.007 45.100 -0.050 0.000 0.641 230 G HN 0.346 nan 8.290 nan 0.000 0.533 231 K N 0.367 120.752 120.400 -0.026 0.000 2.385 231 K HA 0.588 4.908 4.320 0.001 0.000 0.248 231 K C -2.825 173.767 176.600 -0.014 0.000 0.955 231 K CA -2.321 53.955 56.287 -0.019 0.000 0.816 231 K CB 2.545 35.037 32.500 -0.014 0.000 1.250 231 K HN -0.079 nan 8.250 nan 0.000 0.434 232 P HA 0.059 nan 4.420 nan 0.000 0.269 232 P C 0.006 177.226 177.300 -0.134 0.000 1.209 232 P CA -0.012 63.002 63.100 -0.144 0.000 0.776 232 P CB 0.539 32.135 31.700 -0.174 0.000 0.876 233 L N 1.953 123.039 121.223 -0.228 0.000 2.418 233 L HA 0.115 4.455 4.340 0.001 0.000 0.218 233 L C 0.380 177.273 176.870 0.038 0.000 1.125 233 L CA 0.827 55.626 54.840 -0.068 0.000 0.835 233 L CB -0.374 41.696 42.059 0.019 0.000 0.953 233 L HN 0.437 nan 8.230 nan 0.000 0.454 234 F N -3.278 116.668 119.950 -0.006 0.000 2.665 234 F HA 0.417 4.945 4.527 0.001 0.000 0.308 234 F C 0.403 176.206 175.800 0.005 0.000 1.112 234 F CA -1.475 56.516 58.000 -0.014 0.000 0.972 234 F CB 0.936 39.917 39.000 -0.031 0.000 1.295 234 F HN -0.194 nan 8.300 nan 0.000 0.440 235 R N 1.014 121.606 120.500 0.153 0.000 2.362 235 R HA 0.845 5.185 4.340 0.001 0.000 0.227 235 R C -0.217 176.153 176.300 0.117 0.000 0.905 235 R CA 0.298 56.440 56.100 0.070 0.000 1.067 235 R CB 0.575 30.873 30.300 -0.004 0.000 1.078 235 R HN 0.908 nan 8.270 nan 0.000 0.516 236 A N -0.344 122.605 122.820 0.214 0.000 2.586 236 A HA 0.763 5.083 4.320 0.001 0.000 0.290 236 A C -1.235 176.491 177.584 0.236 0.000 1.086 236 A CA -0.509 51.648 52.037 0.199 0.000 0.665 236 A CB 1.219 20.185 19.000 -0.056 0.000 1.279 236 A HN 0.242 nan 8.150 nan 0.000 0.423 237 G N -0.401 108.558 108.800 0.264 0.000 2.667 237 G HA2 0.629 4.590 3.960 0.001 0.000 0.298 237 G HA3 0.629 4.590 3.960 0.001 0.000 0.298 237 G C -1.445 173.495 174.900 0.065 0.000 1.377 237 G CA -0.429 44.726 45.100 0.092 0.000 0.964 237 G HN 0.708 nan 8.290 nan 0.000 0.493 238 I N 1.563 122.119 120.570 -0.024 0.000 2.439 238 I HA 0.334 4.504 4.170 0.001 0.000 0.285 238 I C -0.384 175.697 176.117 -0.061 0.000 1.021 238 I CA -0.447 60.763 61.300 -0.149 0.000 1.091 238 I CB 2.093 39.872 38.000 -0.368 0.000 1.242 238 I HN 0.201 nan 8.210 nan 0.000 0.439 239 M N 6.245 125.810 119.600 -0.060 0.000 2.044 239 M HA 0.342 4.822 4.480 0.001 0.000 0.333 239 M C -0.726 175.630 176.300 0.094 0.000 1.004 239 M CA -0.343 54.935 55.300 -0.037 0.000 0.954 239 M CB 1.230 33.741 32.600 -0.148 0.000 1.468 239 M HN 0.439 nan 8.290 nan 0.000 0.414 240 Q N 2.086 121.988 119.800 0.170 0.000 2.456 240 Q HA 0.340 4.681 4.340 0.001 0.000 0.234 240 Q C -0.451 175.647 176.000 0.163 0.000 1.061 240 Q CA -0.374 55.605 55.803 0.294 0.000 0.896 240 Q CB 0.791 29.751 28.738 0.370 0.000 1.233 240 Q HN 0.797 nan 8.270 nan 0.000 0.506 241 S N 1.436 117.222 115.700 0.144 0.000 3.590 241 S HA -0.014 4.456 4.470 0.001 0.000 0.527 241 S C -0.037 174.806 174.600 0.406 0.000 0.745 241 S CA 0.307 58.639 58.200 0.220 0.000 1.392 241 S CB -1.206 62.057 63.200 0.106 0.000 0.906 241 S HN 1.121 nan 8.310 nan 0.000 0.760 242 G N -0.425 108.560 108.800 0.309 0.000 2.350 242 G HA2 0.619 4.580 3.960 0.001 0.000 0.274 242 G HA3 0.619 4.580 3.960 0.001 0.000 0.274 242 G C -0.455 174.426 174.900 -0.031 0.000 1.621 242 G CA 0.198 45.420 45.100 0.204 0.000 0.935 242 G HN 1.373 nan 8.290 nan 0.000 0.694 243 A N 2.134 124.886 122.820 -0.114 0.000 3.191 243 A HA 0.962 5.282 4.320 0.001 0.000 0.191 243 A C 0.511 177.931 177.584 -0.273 0.000 1.221 243 A CA -0.139 51.739 52.037 -0.265 0.000 1.399 243 A CB -0.146 18.694 19.000 -0.268 0.000 1.688 243 A HN 1.038 nan 8.150 nan 0.000 0.593 244 M N 0.831 120.230 119.600 -0.336 0.000 2.245 244 M HA 0.346 4.826 4.480 0.001 0.000 0.330 244 M C -0.383 175.785 176.300 -0.220 0.000 1.098 244 M CA 0.370 55.468 55.300 -0.337 0.000 1.172 244 M CB 0.575 32.808 32.600 -0.612 0.000 1.467 244 M HN 0.182 nan 8.290 nan 0.000 0.454 245 V N 4.454 124.250 119.914 -0.197 0.000 2.432 245 V HA 0.315 4.435 4.120 0.001 0.000 0.275 245 V C -1.908 174.046 176.094 -0.234 0.000 1.043 245 V CA -1.212 60.972 62.300 -0.194 0.000 0.925 245 V CB 0.931 32.606 31.823 -0.245 0.000 0.985 245 V HN 0.705 nan 8.190 nan 0.000 0.466 246 P HA 0.207 nan 4.420 nan 0.000 0.225 246 P C -0.444 176.414 177.300 -0.737 0.000 1.830 246 P CA -0.017 62.771 63.100 -0.521 0.000 1.051 246 P CB 0.273 31.962 31.700 -0.018 0.000 1.929 247 S N 0.845 116.036 115.700 -0.850 0.000 2.542 247 S HA 0.509 4.979 4.470 0.001 0.000 0.293 247 S C -0.323 174.090 174.600 -0.311 0.000 1.089 247 S CA -0.814 57.127 58.200 -0.432 0.000 0.961 247 S CB 1.452 64.499 63.200 -0.255 0.000 1.062 247 S HN -0.032 nan 8.310 nan 0.000 0.483 248 D N 1.421 121.821 120.400 -0.001 0.000 2.384 248 D HA 0.527 5.167 4.640 0.001 0.000 0.244 248 D C 0.794 177.113 176.300 0.032 0.000 1.251 248 D CA -0.004 54.062 54.000 0.111 0.000 0.961 248 D CB 0.510 41.420 40.800 0.183 0.000 1.116 248 D HN 0.887 nan 8.370 nan 0.000 0.484 249 A N 0.178 123.021 122.820 0.038 0.000 2.492 249 A HA 0.026 4.347 4.320 0.001 0.000 0.236 249 A C 1.559 179.145 177.584 0.003 0.000 1.078 249 A CA -0.243 51.799 52.037 0.008 0.000 0.773 249 A CB 0.233 19.237 19.000 0.005 0.000 1.023 249 A HN 0.412 nan 8.150 nan 0.000 0.504 250 V N 0.471 120.377 119.914 -0.013 0.000 2.469 250 V HA -0.143 3.977 4.120 0.001 0.000 0.251 250 V C 1.308 177.384 176.094 -0.031 0.000 1.064 250 V CA 2.751 65.040 62.300 -0.018 0.000 1.066 250 V CB -0.732 31.077 31.823 -0.023 0.000 0.667 250 V HN 0.989 nan 8.190 nan 0.000 0.461 251 D N -0.648 119.733 120.400 -0.031 0.000 2.491 251 D HA 0.241 4.881 4.640 0.001 0.000 0.228 251 D C 0.720 177.016 176.300 -0.007 0.000 1.183 251 D CA 0.398 54.374 54.000 -0.040 0.000 0.827 251 D CB -0.220 40.549 40.800 -0.051 0.000 0.989 251 D HN 0.413 nan 8.370 nan 0.000 0.494 252 G N 0.173 108.985 108.800 0.020 0.000 2.535 252 G HA2 0.326 4.286 3.960 0.001 0.000 0.282 252 G HA3 0.326 4.286 3.960 0.001 0.000 0.282 252 G C 1.126 176.068 174.900 0.071 0.000 1.350 252 G CA -0.713 44.422 45.100 0.058 0.000 1.039 252 G HN 0.123 nan 8.290 nan 0.000 0.509 253 I N -1.410 119.225 120.570 0.108 0.000 2.099 253 I HA -0.220 3.950 4.170 0.001 0.000 0.239 253 I C 2.329 178.539 176.117 0.156 0.000 1.066 253 I CA 1.488 62.854 61.300 0.109 0.000 1.324 253 I CB -0.246 37.812 38.000 0.097 0.000 1.037 253 I HN 0.460 nan 8.210 nan 0.000 0.401 254 Y N 1.500 121.802 120.300 0.003 0.000 2.373 254 Y HA -0.031 4.519 4.550 0.001 0.000 0.293 254 Y C 2.319 178.209 175.900 -0.016 0.000 1.129 254 Y CA 0.881 58.971 58.100 -0.017 0.000 1.226 254 Y CB -0.810 37.632 38.460 -0.030 0.000 1.000 254 Y HN 0.087 nan 8.280 nan 0.000 0.549 255 G N -0.373 108.440 108.800 0.022 0.000 2.418 255 G HA2 -0.304 3.656 3.960 0.001 0.000 0.217 255 G HA3 -0.304 3.656 3.960 0.001 0.000 0.217 255 G C 1.536 176.410 174.900 -0.045 0.000 1.158 255 G CA 1.057 46.127 45.100 -0.051 0.000 0.771 255 G HN 0.428 nan 8.290 nan 0.000 0.545 256 N N 0.044 118.739 118.700 -0.008 0.000 2.216 256 N HA -0.003 4.738 4.740 0.001 0.000 0.183 256 N C 2.133 177.673 175.510 0.050 0.000 1.017 256 N CA 0.909 53.978 53.050 0.031 0.000 0.861 256 N CB -0.016 38.483 38.487 0.020 0.000 0.986 256 N HN 0.402 nan 8.380 nan 0.000 0.428 257 E N 0.481 120.673 120.200 -0.014 0.000 2.038 257 E HA -0.170 4.181 4.350 0.001 0.000 0.195 257 E C 1.700 178.218 176.600 -0.137 0.000 1.000 257 E CA 0.827 57.198 56.400 -0.047 0.000 0.803 257 E CB 0.010 29.712 29.700 0.003 0.000 0.750 257 E HN 0.308 nan 8.360 nan 0.000 0.448 258 I N 0.695 121.084 120.570 -0.303 0.000 2.208 258 I HA -0.249 3.922 4.170 0.001 0.000 0.245 258 I C 2.340 178.376 176.117 -0.135 0.000 1.097 258 I CA 1.178 62.285 61.300 -0.321 0.000 1.363 258 I CB -1.014 36.655 38.000 -0.551 0.000 1.051 258 I HN 0.102 nan 8.210 nan 0.000 0.413 259 F N 2.462 122.307 119.950 -0.176 0.000 2.095 259 F HA -0.273 4.254 4.527 0.001 0.000 0.298 259 F C 2.247 177.986 175.800 -0.102 0.000 1.104 259 F CA 1.937 59.861 58.000 -0.127 0.000 1.232 259 F CB -0.328 38.601 39.000 -0.120 0.000 0.987 259 F HN 0.124 nan 8.300 nan 0.000 0.475 260 D N 0.307 120.659 120.400 -0.080 0.000 2.144 260 D HA -0.162 4.478 4.640 0.001 0.000 0.199 260 D C 2.249 178.438 176.300 -0.185 0.000 0.984 260 D CA 1.353 55.267 54.000 -0.142 0.000 0.834 260 D CB -0.678 40.116 40.800 -0.011 0.000 0.955 260 D HN 0.352 nan 8.370 nan 0.000 0.465 261 L N 0.620 121.754 121.223 -0.148 0.000 2.017 261 L HA -0.106 4.235 4.340 0.001 0.000 0.208 261 L C 2.120 178.911 176.870 -0.131 0.000 1.073 261 L CA 1.329 56.095 54.840 -0.123 0.000 0.745 261 L CB -0.750 41.252 42.059 -0.095 0.000 0.894 261 L HN -0.006 nan 8.230 nan 0.000 0.432 262 L N 0.034 121.155 121.223 -0.169 0.000 2.042 262 L HA -0.110 4.230 4.340 0.001 0.000 0.210 262 L C 2.511 179.245 176.870 -0.227 0.000 1.076 262 L CA 2.114 56.853 54.840 -0.168 0.000 0.749 262 L CB -1.041 40.910 42.059 -0.178 0.000 0.893 262 L HN 0.316 nan 8.230 nan 0.000 0.432 263 A N -1.553 121.046 122.820 -0.370 0.000 1.933 263 A HA -0.181 4.139 4.320 0.001 0.000 0.218 263 A C 2.364 179.840 177.584 -0.180 0.000 1.175 263 A CA 1.974 53.808 52.037 -0.339 0.000 0.628 263 A CB -0.890 17.818 19.000 -0.487 0.000 0.814 263 A HN 0.546 nan 8.150 nan 0.000 0.444 264 S N 0.799 116.409 115.700 -0.149 0.000 2.355 264 S HA -0.160 4.311 4.470 0.001 0.000 0.222 264 S C 1.864 176.425 174.600 -0.065 0.000 1.031 264 S CA 1.369 59.515 58.200 -0.090 0.000 0.993 264 S CB -0.514 62.638 63.200 -0.080 0.000 0.859 264 S HN 0.677 nan 8.310 nan 0.000 0.453 265 N N 2.305 120.967 118.700 -0.063 0.000 2.137 265 N HA -0.054 4.686 4.740 0.001 0.000 0.190 265 N C 1.548 177.041 175.510 -0.028 0.000 1.017 265 N CA 1.376 54.407 53.050 -0.032 0.000 0.859 265 N CB -0.581 37.895 38.487 -0.018 0.000 1.002 265 N HN 0.470 nan 8.380 nan 0.000 0.428 266 A N -0.540 122.251 122.820 -0.048 0.000 2.206 266 A HA 0.388 4.709 4.320 0.001 0.000 0.211 266 A C 1.471 179.043 177.584 -0.020 0.000 1.158 266 A CA 0.981 53.001 52.037 -0.029 0.000 0.761 266 A CB -0.316 18.661 19.000 -0.039 0.000 0.801 266 A HN 0.370 nan 8.150 nan 0.000 0.473 267 G N -2.840 105.942 108.800 -0.030 0.000 2.131 267 G HA2 -0.237 3.723 3.960 0.001 0.000 0.223 267 G HA3 -0.237 3.723 3.960 0.001 0.000 0.223 267 G C 0.446 175.332 174.900 -0.023 0.000 0.990 267 G CA 0.138 45.226 45.100 -0.020 0.000 0.671 267 G HN 0.598 nan 8.290 nan 0.000 0.521 268 c N 0.919 119.493 118.600 -0.043 0.000 2.780 268 c HA 0.499 5.069 4.570 0.001 0.000 0.287 268 c C 2.678 176.740 174.090 -0.048 0.000 1.288 268 c CA 0.498 56.802 56.329 -0.041 0.000 1.713 268 c CB -0.724 41.753 42.510 -0.054 0.000 1.955 268 c HN 0.800 nan 8.230 nan 0.000 0.613 269 G N 1.676 110.446 108.800 -0.051 0.000 2.462 269 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 269 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 269 G C 1.635 176.522 174.900 -0.022 0.000 1.121 269 G CA 1.616 46.689 45.100 -0.045 0.000 0.758 269 G HN 0.660 nan 8.290 nan 0.000 0.559 270 S N -0.457 115.235 115.700 -0.013 0.000 2.556 270 S HA 0.619 5.090 4.470 0.001 0.000 0.216 270 S C 1.159 175.762 174.600 0.006 0.000 0.970 270 S CA 0.373 58.572 58.200 -0.002 0.000 0.912 270 S CB 0.291 63.490 63.200 -0.002 0.000 0.790 270 S HN 0.551 nan 8.310 nan 0.000 0.504 271 A N 2.131 124.956 122.820 0.008 0.000 2.425 271 A HA 0.537 4.857 4.320 0.001 0.000 0.249 271 A C 1.411 179.013 177.584 0.030 0.000 1.084 271 A CA 0.058 52.108 52.037 0.021 0.000 0.781 271 A CB 0.276 19.292 19.000 0.027 0.000 1.019 271 A HN 0.561 nan 8.150 nan 0.000 0.490 272 S N 0.544 116.263 115.700 0.031 0.000 2.436 272 S HA -0.027 4.443 4.470 0.001 0.000 0.228 272 S C 0.361 174.988 174.600 0.045 0.000 1.014 272 S CA 1.079 59.299 58.200 0.033 0.000 0.950 272 S CB -0.029 63.187 63.200 0.026 0.000 0.784 272 S HN 0.749 nan 8.310 nan 0.000 0.504 273 D N 0.824 121.256 120.400 0.054 0.000 2.408 273 D HA 0.353 4.994 4.640 0.001 0.000 0.261 273 D C 0.428 176.785 176.300 0.096 0.000 1.190 273 D CA -0.439 53.604 54.000 0.072 0.000 0.910 273 D CB 0.947 41.784 40.800 0.061 0.000 1.097 273 D HN 0.057 nan 8.370 nan 0.000 0.522 274 K N 1.615 122.094 120.400 0.133 0.000 2.152 274 K HA -0.135 4.186 4.320 0.001 0.000 0.206 274 K C 1.667 178.375 176.600 0.180 0.000 1.048 274 K CA 0.647 57.013 56.287 0.132 0.000 0.933 274 K CB 0.227 32.810 32.500 0.139 0.000 0.721 274 K HN 0.269 nan 8.250 nan 0.000 0.447 275 L N 1.087 122.469 121.223 0.265 0.000 2.017 275 L HA -0.115 4.225 4.340 0.001 0.000 0.208 275 L C 2.212 179.208 176.870 0.209 0.000 1.073 275 L CA 1.786 56.781 54.840 0.258 0.000 0.745 275 L CB -0.762 41.408 42.059 0.185 0.000 0.894 275 L HN 0.124 nan 8.230 nan 0.000 0.432 276 A N -1.870 121.039 122.820 0.148 0.000 1.969 276 A HA -0.241 4.079 4.320 0.001 0.000 0.218 276 A C 2.523 180.172 177.584 0.107 0.000 1.169 276 A CA 1.477 53.586 52.037 0.119 0.000 0.635 276 A CB -1.465 17.586 19.000 0.084 0.000 0.810 276 A HN 0.648 nan 8.150 nan 0.000 0.445 277 c N -0.559 118.098 118.600 0.096 0.000 2.446 277 c HA -0.002 4.569 4.570 0.001 0.000 0.277 277 c C 2.570 176.712 174.090 0.086 0.000 1.275 277 c CA 1.126 57.497 56.329 0.070 0.000 1.727 277 c CB -1.498 41.039 42.510 0.044 0.000 2.010 277 c HN 0.594 nan 8.230 nan 0.000 0.486 278 L N 0.307 121.604 121.223 0.124 0.000 2.131 278 L HA -0.097 4.244 4.340 0.001 0.000 0.210 278 L C 2.905 179.913 176.870 0.231 0.000 1.092 278 L CA 1.415 56.365 54.840 0.184 0.000 0.759 278 L CB -0.611 41.589 42.059 0.235 0.000 0.903 278 L HN 0.344 nan 8.230 nan 0.000 0.435 279 R N -0.405 120.223 120.500 0.213 0.000 2.235 279 R HA -0.049 4.291 4.340 0.001 0.000 0.213 279 R C 2.166 178.502 176.300 0.060 0.000 1.059 279 R CA 0.910 57.073 56.100 0.105 0.000 0.997 279 R CB -0.297 30.063 30.300 0.101 0.000 0.884 279 R HN 0.395 nan 8.270 nan 0.000 0.462 280 G N 0.884 109.727 108.800 0.071 0.000 2.662 280 G HA2 -0.008 3.953 3.960 0.001 0.000 0.212 280 G HA3 -0.008 3.953 3.960 0.001 0.000 0.212 280 G C 0.726 175.654 174.900 0.046 0.000 1.141 280 G CA 0.149 45.279 45.100 0.050 0.000 0.797 280 G HN 0.170 nan 8.290 nan 0.000 0.531 281 V N 0.586 120.533 119.914 0.055 0.000 3.096 281 V HA 0.536 4.657 4.120 0.001 0.000 0.306 281 V C 0.721 176.849 176.094 0.055 0.000 1.088 281 V CA -0.688 61.642 62.300 0.050 0.000 1.129 281 V CB 0.905 32.759 31.823 0.051 0.000 1.014 281 V HN 0.345 nan 8.190 nan 0.000 0.486 282 S N 2.568 118.300 115.700 0.053 0.000 2.589 282 S HA 0.130 4.600 4.470 0.001 0.000 0.265 282 S C 1.299 175.952 174.600 0.087 0.000 1.342 282 S CA 0.098 58.333 58.200 0.058 0.000 1.005 282 S CB 0.853 64.083 63.200 0.049 0.000 0.909 282 S HN 1.594 nan 8.310 nan 0.000 0.555 283 S N 0.753 116.511 115.700 0.097 0.000 2.423 283 S HA -0.112 4.358 4.470 0.001 0.000 0.231 283 S C 0.951 175.649 174.600 0.163 0.000 1.014 283 S CA 1.154 59.447 58.200 0.155 0.000 0.965 283 S CB -0.856 62.414 63.200 0.117 0.000 0.785 283 S HN 0.829 nan 8.310 nan 0.000 0.495 284 D N 1.921 122.385 120.400 0.106 0.000 2.097 284 D HA -0.055 4.586 4.640 0.001 0.000 0.195 284 D C 1.973 178.334 176.300 0.102 0.000 0.989 284 D CA 1.762 55.820 54.000 0.096 0.000 0.827 284 D CB -0.559 40.279 40.800 0.064 0.000 0.966 284 D HN 0.355 nan 8.370 nan 0.000 0.456 285 T N 0.663 115.267 114.554 0.084 0.000 2.746 285 T HA -0.133 4.218 4.350 0.001 0.000 0.267 285 T C 1.759 176.503 174.700 0.074 0.000 1.039 285 T CA 0.535 62.675 62.100 0.067 0.000 1.142 285 T CB -0.259 68.639 68.868 0.051 0.000 0.866 285 T HN 0.016 nan 8.240 nan 0.000 0.444 286 L N 1.302 122.588 121.223 0.105 0.000 2.093 286 L HA 0.069 4.409 4.340 0.001 0.000 0.208 286 L C 2.427 179.362 176.870 0.108 0.000 1.085 286 L CA 1.787 56.675 54.840 0.081 0.000 0.755 286 L CB -0.672 41.464 42.059 0.127 0.000 0.904 286 L HN 0.281 nan 8.230 nan 0.000 0.435 287 E N -0.798 119.570 120.200 0.280 0.000 2.077 287 E HA -0.271 4.079 4.350 0.001 0.000 0.193 287 E C 1.729 178.441 176.600 0.187 0.000 0.989 287 E CA 1.613 58.236 56.400 0.372 0.000 0.800 287 E CB -0.084 29.817 29.700 0.335 0.000 0.746 287 E HN 0.608 nan 8.360 nan 0.000 0.452 288 D N -0.314 120.159 120.400 0.123 0.000 2.084 288 D HA -0.138 4.502 4.640 0.001 0.000 0.194 288 D C 1.887 178.222 176.300 0.058 0.000 0.990 288 D CA 1.845 55.893 54.000 0.080 0.000 0.826 288 D CB -0.111 40.725 40.800 0.060 0.000 0.971 288 D HN 0.322 nan 8.370 nan 0.000 0.453 289 A N -0.425 122.416 122.820 0.035 0.000 1.908 289 A HA -0.194 4.127 4.320 0.001 0.000 0.218 289 A C 2.296 179.889 177.584 0.014 0.000 1.181 289 A CA 2.133 54.176 52.037 0.010 0.000 0.627 289 A CB -0.994 17.993 19.000 -0.023 0.000 0.818 289 A HN 0.249 nan 8.150 nan 0.000 0.445 290 T N 0.686 115.232 114.554 -0.013 0.000 2.821 290 T HA -0.100 4.250 4.350 0.001 0.000 0.267 290 T C 1.608 176.368 174.700 0.100 0.000 1.046 290 T CA 1.365 63.460 62.100 -0.008 0.000 1.139 290 T CB -0.375 68.363 68.868 -0.217 0.000 0.871 290 T HN 0.475 nan 8.240 nan 0.000 0.454 291 N N 1.807 120.569 118.700 0.104 0.000 2.573 291 N HA 0.011 4.751 4.740 0.001 0.000 0.187 291 N C 0.885 176.444 175.510 0.082 0.000 1.107 291 N CA 0.403 53.516 53.050 0.105 0.000 0.918 291 N CB -0.187 38.356 38.487 0.094 0.000 0.966 291 N HN 0.328 nan 8.380 nan 0.000 0.448 292 N N 0.237 118.987 118.700 0.084 0.000 2.251 292 N HA 0.020 4.761 4.740 0.001 0.000 0.217 292 N C -0.145 175.447 175.510 0.136 0.000 1.124 292 N CA 0.146 53.250 53.050 0.091 0.000 0.843 292 N CB 0.700 39.237 38.487 0.082 0.000 1.024 292 N HN 0.245 nan 8.380 nan 0.000 0.501 293 T N -2.438 112.199 114.554 0.138 0.000 2.908 293 T HA 0.522 4.872 4.350 0.001 0.000 0.290 293 T C -3.117 171.664 174.700 0.134 0.000 1.034 293 T CA -2.370 59.827 62.100 0.161 0.000 1.010 293 T CB 2.556 71.510 68.868 0.144 0.000 1.068 293 T HN -0.256 nan 8.240 nan 0.000 0.481 294 P HA 0.298 nan 4.420 nan 0.000 0.264 294 P C 0.340 177.729 177.300 0.148 0.000 1.193 294 P CA 0.229 63.383 63.100 0.089 0.000 0.763 294 P CB 0.206 31.975 31.700 0.114 0.000 0.810 295 G N 2.072 110.939 108.800 0.113 0.000 2.502 295 G HA2 0.340 4.301 3.960 0.001 0.000 0.305 295 G HA3 0.340 4.301 3.960 0.001 0.000 0.305 295 G C 0.421 175.396 174.900 0.126 0.000 1.190 295 G CA -0.784 44.395 45.100 0.131 0.000 0.933 295 G HN 0.517 nan 8.290 nan 0.000 0.503 296 F N -1.011 119.075 119.950 0.226 0.000 2.408 296 F HA 0.100 4.627 4.527 0.001 0.000 0.300 296 F C 1.609 177.563 175.800 0.256 0.000 1.090 296 F CA 0.652 58.795 58.000 0.239 0.000 1.427 296 F CB -0.243 38.931 39.000 0.290 0.000 1.070 296 F HN 0.169 nan 8.300 nan 0.000 0.549 297 L N 0.111 121.232 121.223 -0.170 0.000 2.585 297 L HA 0.382 4.722 4.340 0.001 0.000 0.226 297 L C 1.767 178.639 176.870 0.003 0.000 1.113 297 L CA -0.072 54.743 54.840 -0.042 0.000 0.876 297 L CB -0.554 41.400 42.059 -0.174 0.000 1.072 297 L HN 0.267 nan 8.230 nan 0.000 0.468 298 A N -0.873 121.955 122.820 0.013 0.000 2.310 298 A HA -0.062 4.258 4.320 0.001 0.000 0.260 298 A C 0.869 178.527 177.584 0.123 0.000 1.112 298 A CA -0.047 52.016 52.037 0.044 0.000 0.804 298 A CB -0.125 18.887 19.000 0.021 0.000 1.081 298 A HN 0.254 nan 8.150 nan 0.000 0.499 299 Y N 0.653 120.950 120.300 -0.005 0.000 2.181 299 Y HA -0.250 4.300 4.550 0.001 0.000 0.284 299 Y C 2.611 178.600 175.900 0.150 0.000 1.179 299 Y CA 2.490 60.611 58.100 0.035 0.000 1.179 299 Y CB -0.440 38.021 38.460 0.001 0.000 0.973 299 Y HN 0.524 nan 8.280 nan 0.000 0.519 300 S N -0.735 115.039 115.700 0.123 0.000 2.419 300 S HA -0.192 4.279 4.470 0.001 0.000 0.235 300 S C 1.408 176.016 174.600 0.013 0.000 1.019 300 S CA 0.881 59.103 58.200 0.037 0.000 0.982 300 S CB -0.651 62.612 63.200 0.104 0.000 0.789 300 S HN 0.655 nan 8.310 nan 0.000 0.490 301 S N 0.131 115.889 115.700 0.097 0.000 4.059 301 S HA -0.272 4.199 4.470 0.001 0.000 0.624 301 S C 0.887 175.557 174.600 0.117 0.000 2.019 301 S CA 1.344 59.635 58.200 0.151 0.000 4.197 301 S CB -1.550 61.743 63.200 0.155 0.000 0.215 301 S HN 0.441 nan 8.310 nan 0.000 0.609 302 L N 1.519 122.756 121.223 0.023 0.000 2.622 302 L HA 0.050 4.391 4.340 0.001 0.000 0.233 302 L C 1.747 178.594 176.870 -0.039 0.000 1.156 302 L CA 0.835 55.642 54.840 -0.055 0.000 0.866 302 L CB -0.505 41.451 42.059 -0.171 0.000 0.980 302 L HN 0.375 nan 8.230 nan 0.000 0.448 303 R N 1.751 122.216 120.500 -0.060 0.000 3.701 303 R HA 0.204 4.544 4.340 0.001 0.000 0.210 303 R C -0.226 176.115 176.300 0.069 0.000 1.598 303 R CA -0.307 55.742 56.100 -0.084 0.000 1.427 303 R CB -0.266 29.883 30.300 -0.252 0.000 1.339 303 R HN 0.235 nan 8.270 nan 0.000 0.720 304 L N 1.682 122.965 121.223 0.099 0.000 2.514 304 L HA -0.024 4.317 4.340 0.001 0.000 0.280 304 L C 1.469 178.418 176.870 0.131 0.000 1.223 304 L CA -0.007 54.922 54.840 0.149 0.000 0.864 304 L CB 1.073 43.215 42.059 0.138 0.000 1.118 304 L HN 0.503 nan 8.230 nan 0.000 0.494 305 S N 0.776 116.480 115.700 0.007 0.000 2.414 305 S HA 0.015 4.486 4.470 0.001 0.000 0.227 305 S C -0.353 173.797 174.600 -0.751 0.000 1.022 305 S CA 0.901 58.843 58.200 -0.429 0.000 0.958 305 S CB -0.005 62.847 63.200 -0.580 0.000 0.797 305 S HN 0.407 nan 8.310 nan 0.000 0.493 306 Y N 0.993 121.369 120.300 0.126 0.000 2.373 306 Y HA 0.703 5.254 4.550 0.001 0.000 0.336 306 Y C -0.383 175.500 175.900 -0.029 0.000 0.979 306 Y CA -1.318 56.860 58.100 0.130 0.000 1.080 306 Y CB 1.273 39.898 38.460 0.276 0.000 1.190 306 Y HN 0.025 nan 8.280 nan 0.000 0.446 307 L N 0.369 121.494 121.223 -0.164 0.000 3.002 307 L HA 0.718 5.058 4.340 0.001 0.000 0.267 307 L C -3.389 173.049 176.870 -0.720 0.000 0.997 307 L CA -2.439 51.909 54.840 -0.821 0.000 0.961 307 L CB 2.150 43.906 42.059 -0.505 0.000 1.502 307 L HN 0.159 nan 8.230 nan 0.000 0.408 308 P HA 0.269 nan 4.420 nan 0.000 0.264 308 P C -1.317 175.843 177.300 -0.234 0.000 1.193 308 P CA 0.264 63.117 63.100 -0.410 0.000 0.763 308 P CB 0.434 31.860 31.700 -0.458 0.000 0.810 309 R N 4.378 124.828 120.500 -0.083 0.000 2.628 309 R HA 0.422 4.763 4.340 0.001 0.000 0.288 309 R C -2.677 173.592 176.300 -0.051 0.000 0.980 309 R CA -2.320 53.734 56.100 -0.077 0.000 0.891 309 R CB 1.636 31.914 30.300 -0.038 0.000 1.188 309 R HN 0.252 nan 8.270 nan 0.000 0.450 310 P HA -0.047 nan 4.420 nan 0.000 0.264 310 P C -0.353 176.917 177.300 -0.051 0.000 1.193 310 P CA 0.410 63.476 63.100 -0.056 0.000 0.763 310 P CB 0.570 32.248 31.700 -0.038 0.000 0.810 311 D N 1.388 121.745 120.400 -0.073 0.000 2.441 311 D HA 0.137 4.777 4.640 0.001 0.000 0.210 311 D C 1.373 177.628 176.300 -0.075 0.000 1.102 311 D CA 0.271 54.231 54.000 -0.068 0.000 0.840 311 D CB -0.470 40.286 40.800 -0.073 0.000 0.990 311 D HN 0.495 nan 8.370 nan 0.000 0.505 312 G N -0.006 108.744 108.800 -0.083 0.000 2.184 312 G HA2 -0.321 3.639 3.960 0.001 0.000 0.264 312 G HA3 -0.321 3.639 3.960 0.001 0.000 0.264 312 G C 0.781 175.624 174.900 -0.096 0.000 0.975 312 G CA 0.772 45.827 45.100 -0.075 0.000 0.642 312 G HN 0.664 nan 8.290 nan 0.000 0.536 313 V N -0.886 118.947 119.914 -0.135 0.000 3.054 313 V HA 0.322 4.442 4.120 0.001 0.000 0.227 313 V C 1.770 177.705 176.094 -0.265 0.000 1.252 313 V CA 1.970 64.178 62.300 -0.154 0.000 1.279 313 V CB 0.088 31.843 31.823 -0.113 0.000 1.118 313 V HN 0.271 nan 8.190 nan 0.000 0.504 314 N N -0.128 118.317 118.700 -0.425 0.000 2.414 314 N HA 0.397 5.137 4.740 0.001 0.000 0.177 314 N C 0.140 175.169 175.510 -0.801 0.000 1.062 314 N CA 0.495 53.028 53.050 -0.861 0.000 0.890 314 N CB 0.813 38.422 38.487 -1.464 0.000 1.070 314 N HN 0.396 nan 8.380 nan 0.000 0.454 315 I N 1.317 121.609 120.570 -0.463 0.000 2.537 315 I HA 0.097 4.267 4.170 0.001 0.000 0.276 315 I C 0.898 176.919 176.117 -0.159 0.000 1.063 315 I CA -0.248 60.908 61.300 -0.240 0.000 1.144 315 I CB 1.377 39.292 38.000 -0.143 0.000 1.252 315 I HN 0.135 nan 8.210 nan 0.000 0.480 316 T N 0.056 114.533 114.554 -0.128 0.000 3.007 316 T HA -0.045 4.305 4.350 0.001 0.000 0.270 316 T C 0.454 175.126 174.700 -0.046 0.000 1.107 316 T CA 1.057 63.105 62.100 -0.086 0.000 1.118 316 T CB 0.130 68.955 68.868 -0.072 0.000 0.889 316 T HN 0.545 nan 8.240 nan 0.000 0.506 317 D N -0.393 119.991 120.400 -0.026 0.000 2.738 317 D HA 0.219 4.860 4.640 0.001 0.000 0.308 317 D C -1.802 174.518 176.300 0.033 0.000 1.311 317 D CA -0.728 53.275 54.000 0.006 0.000 0.799 317 D CB 1.095 41.905 40.800 0.018 0.000 1.332 317 D HN 0.036 nan 8.370 nan 0.000 0.441 318 D N 0.951 121.400 120.400 0.082 0.000 2.752 318 D HA -0.110 4.530 4.640 0.001 0.000 0.225 318 D C 1.244 177.631 176.300 0.145 0.000 1.104 318 D CA 0.687 54.789 54.000 0.169 0.000 0.832 318 D CB 0.557 41.513 40.800 0.261 0.000 1.161 318 D HN 0.417 nan 8.370 nan 0.000 0.505 319 M N 3.338 122.995 119.600 0.096 0.000 2.296 319 M HA -0.189 4.291 4.480 0.001 0.000 0.265 319 M C 1.203 177.544 176.300 0.068 0.000 1.064 319 M CA 0.989 56.315 55.300 0.044 0.000 1.109 319 M CB -0.189 32.367 32.600 -0.074 0.000 1.396 319 M HN 0.512 nan 8.290 nan 0.000 0.430 320 Y N 0.124 120.475 120.300 0.085 0.000 2.263 320 Y HA -0.053 4.497 4.550 0.001 0.000 0.292 320 Y C 2.640 178.615 175.900 0.125 0.000 1.130 320 Y CA 1.352 59.492 58.100 0.068 0.000 1.179 320 Y CB -0.638 37.791 38.460 -0.053 0.000 0.998 320 Y HN 0.203 nan 8.280 nan 0.000 0.532 321 A N -0.139 122.831 122.820 0.250 0.000 1.929 321 A HA -0.098 4.222 4.320 0.001 0.000 0.216 321 A C 2.173 179.834 177.584 0.130 0.000 1.176 321 A CA 1.186 53.319 52.037 0.161 0.000 0.628 321 A CB -0.991 18.081 19.000 0.121 0.000 0.816 321 A HN 0.447 nan 8.150 nan 0.000 0.444 322 L N -0.479 120.820 121.223 0.126 0.000 2.083 322 L HA -0.159 4.181 4.340 0.001 0.000 0.209 322 L C 2.436 179.415 176.870 0.181 0.000 1.083 322 L CA 0.958 55.865 54.840 0.113 0.000 0.752 322 L CB -0.521 41.602 42.059 0.106 0.000 0.899 322 L HN 0.245 nan 8.230 nan 0.000 0.433 323 V N -0.411 119.655 119.914 0.252 0.000 2.453 323 V HA -0.196 3.925 4.120 0.001 0.000 0.247 323 V C 2.579 178.866 176.094 0.320 0.000 1.048 323 V CA 1.482 64.025 62.300 0.406 0.000 1.049 323 V CB -0.513 31.519 31.823 0.350 0.000 0.672 323 V HN 0.392 nan 8.190 nan 0.000 0.457 324 R N 0.036 120.637 120.500 0.169 0.000 2.092 324 R HA -0.115 4.225 4.340 0.001 0.000 0.231 324 R C 2.021 178.386 176.300 0.109 0.000 1.119 324 R CA 1.331 57.497 56.100 0.111 0.000 0.970 324 R CB -0.174 30.167 30.300 0.069 0.000 0.864 324 R HN 0.593 nan 8.270 nan 0.000 0.440 325 E N -0.537 119.704 120.200 0.069 0.000 2.511 325 E HA 0.027 4.378 4.350 0.001 0.000 0.196 325 E C 0.714 177.255 176.600 -0.098 0.000 1.066 325 E CA 0.351 56.752 56.400 0.002 0.000 0.871 325 E CB 0.375 30.076 29.700 0.002 0.000 0.863 325 E HN 0.518 nan 8.360 nan 0.000 0.520 326 G N 2.192 110.878 108.800 -0.189 0.000 2.143 326 G HA2 -0.341 3.619 3.960 0.001 0.000 0.248 326 G HA3 -0.341 3.619 3.960 0.001 0.000 0.248 326 G C 0.133 174.531 174.900 -0.837 0.000 0.991 326 G CA 0.151 44.860 45.100 -0.653 0.000 0.689 326 G HN 0.213 nan 8.290 nan 0.000 0.522 327 K N 0.470 120.603 120.400 -0.445 0.000 2.502 327 K HA 0.479 4.799 4.320 0.001 0.000 0.244 327 K C -0.194 176.378 176.600 -0.047 0.000 1.249 327 K CA -0.228 55.931 56.287 -0.215 0.000 1.193 327 K CB -0.113 32.349 32.500 -0.062 0.000 1.674 327 K HN 0.636 nan 8.250 nan 0.000 0.302 328 Y N -2.212 118.183 120.300 0.158 0.000 2.625 328 Y HA 0.629 5.180 4.550 0.001 0.000 0.338 328 Y C -0.562 175.468 175.900 0.217 0.000 1.123 328 Y CA -2.226 56.015 58.100 0.236 0.000 1.046 328 Y CB 0.423 39.115 38.460 0.387 0.000 1.299 328 Y HN 0.051 nan 8.280 nan 0.000 0.464 329 A N 1.055 124.187 122.820 0.520 0.000 2.371 329 A HA 0.396 4.717 4.320 0.001 0.000 0.257 329 A C -0.683 177.172 177.584 0.452 0.000 1.089 329 A CA -0.697 51.560 52.037 0.366 0.000 0.794 329 A CB -0.423 18.749 19.000 0.287 0.000 1.029 329 A HN 0.820 nan 8.150 nan 0.000 0.488 330 N N 0.939 119.811 118.700 0.286 0.000 2.558 330 N HA 0.489 5.229 4.740 0.001 0.000 0.233 330 N C -0.607 175.028 175.510 0.209 0.000 1.038 330 N CA -0.069 53.118 53.050 0.230 0.000 0.934 330 N CB 0.439 38.998 38.487 0.121 0.000 1.175 330 N HN 0.674 nan 8.380 nan 0.000 0.512 331 I N -1.885 118.877 120.570 0.321 0.000 2.994 331 I HA 0.687 4.857 4.170 0.001 0.000 0.306 331 I C -2.792 173.526 176.117 0.335 0.000 1.195 331 I CA -2.835 58.631 61.300 0.277 0.000 1.001 331 I CB 2.664 40.844 38.000 0.301 0.000 1.244 331 I HN 0.095 nan 8.210 nan 0.000 0.437 332 P HA 0.236 nan 4.420 nan 0.000 0.275 332 P C -0.751 176.854 177.300 0.508 0.000 1.227 332 P CA -0.058 63.262 63.100 0.366 0.000 0.781 332 P CB 1.593 33.475 31.700 0.305 0.000 0.906 333 V N 0.689 120.855 119.914 0.420 0.000 3.049 333 V HA 0.647 4.767 4.120 0.001 0.000 0.309 333 V C -0.676 175.394 176.094 -0.040 0.000 1.148 333 V CA -1.063 61.365 62.300 0.212 0.000 0.990 333 V CB 2.327 34.188 31.823 0.064 0.000 1.039 333 V HN 0.339 nan 8.190 nan 0.000 0.430 334 I N 3.561 123.981 120.570 -0.251 0.000 2.465 334 I HA 0.645 4.815 4.170 0.001 0.000 0.291 334 I C -0.991 175.100 176.117 -0.044 0.000 1.014 334 I CA -0.564 60.592 61.300 -0.240 0.000 1.093 334 I CB 2.011 39.687 38.000 -0.540 0.000 1.267 334 I HN 0.750 nan 8.210 nan 0.000 0.431 335 I N 5.075 125.682 120.570 0.063 0.000 2.571 335 I HA 0.769 4.939 4.170 0.001 0.000 0.289 335 I C -0.709 175.336 176.117 -0.120 0.000 1.115 335 I CA 0.048 61.343 61.300 -0.009 0.000 1.045 335 I CB 1.842 39.792 38.000 -0.083 0.000 1.238 335 I HN 0.665 nan 8.210 nan 0.000 0.424 336 G N 5.102 113.657 108.800 -0.409 0.000 2.727 336 G HA2 0.576 4.536 3.960 0.001 0.000 0.289 336 G HA3 0.576 4.536 3.960 0.001 0.000 0.289 336 G C -2.052 172.446 174.900 -0.670 0.000 1.418 336 G CA -0.413 43.976 45.100 -1.185 0.000 0.818 336 G HN 0.519 nan 8.290 nan 0.000 0.486 337 D N -0.864 119.217 120.400 -0.531 0.000 2.579 337 D HA 0.364 5.004 4.640 0.001 0.000 0.257 337 D C -0.856 175.496 176.300 0.085 0.000 1.176 337 D CA -0.426 53.536 54.000 -0.063 0.000 0.914 337 D CB 2.355 43.203 40.800 0.080 0.000 1.431 337 D HN 0.104 nan 8.370 nan 0.000 0.454 338 Q N 0.979 120.857 119.800 0.130 0.000 2.230 338 Q HA 0.231 4.572 4.340 0.001 0.000 0.253 338 Q C 0.766 176.858 176.000 0.153 0.000 0.919 338 Q CA -0.246 55.643 55.803 0.144 0.000 0.908 338 Q CB 1.572 30.355 28.738 0.075 0.000 1.245 338 Q HN 0.534 nan 8.270 nan 0.000 0.437 339 N N 1.431 120.221 118.700 0.150 0.000 2.094 339 N HA -0.160 4.580 4.740 0.001 0.000 0.191 339 N C -0.590 175.107 175.510 0.311 0.000 1.023 339 N CA 0.990 54.146 53.050 0.177 0.000 0.857 339 N CB 0.421 39.003 38.487 0.159 0.000 1.013 339 N HN 0.469 nan 8.380 nan 0.000 0.426 340 D N 0.689 121.240 120.400 0.251 0.000 2.683 340 D HA 0.076 4.716 4.640 0.001 0.000 0.309 340 D C 0.276 176.704 176.300 0.213 0.000 1.238 340 D CA -0.153 53.979 54.000 0.219 0.000 0.936 340 D CB 0.949 41.830 40.800 0.135 0.000 1.001 340 D HN 0.230 nan 8.370 nan 0.000 0.505 341 E N 0.529 120.867 120.200 0.230 0.000 2.110 341 E HA -0.103 4.247 4.350 0.001 0.000 0.193 341 E C 1.945 178.688 176.600 0.237 0.000 0.988 341 E CA 0.625 57.128 56.400 0.172 0.000 0.804 341 E CB 0.138 29.862 29.700 0.040 0.000 0.745 341 E HN 0.411 nan 8.360 nan 0.000 0.458 342 G N 1.292 110.262 108.800 0.283 0.000 2.777 342 G HA2 -0.142 3.818 3.960 0.001 0.000 0.211 342 G HA3 -0.142 3.818 3.960 0.001 0.000 0.211 342 G C 1.670 176.695 174.900 0.208 0.000 1.149 342 G CA 0.988 46.300 45.100 0.354 0.000 0.785 342 G HN 0.346 nan 8.290 nan 0.000 0.536 343 T N -1.252 113.363 114.554 0.102 0.000 2.759 343 T HA -0.160 4.191 4.350 0.001 0.000 0.269 343 T C 2.048 176.858 174.700 0.182 0.000 1.042 343 T CA 0.944 63.087 62.100 0.071 0.000 1.140 343 T CB -0.404 68.549 68.868 0.142 0.000 0.864 343 T HN 0.073 nan 8.240 nan 0.000 0.455 344 F N 1.353 121.279 119.950 -0.039 0.000 2.186 344 F HA 0.175 4.703 4.527 0.001 0.000 0.299 344 F C 1.594 177.304 175.800 -0.149 0.000 1.090 344 F CA 0.179 58.076 58.000 -0.172 0.000 1.307 344 F CB -0.363 38.428 39.000 -0.348 0.000 1.019 344 F HN 0.114 nan 8.300 nan 0.000 0.489 345 F N -0.510 119.541 119.950 0.168 0.000 2.367 345 F HA 0.136 4.663 4.527 0.001 0.000 0.298 345 F C 2.604 178.451 175.800 0.079 0.000 1.094 345 F CA 0.866 58.944 58.000 0.130 0.000 1.409 345 F CB -1.452 37.668 39.000 0.200 0.000 1.064 345 F HN -0.060 nan 8.300 nan 0.000 0.528 346 G N -0.407 108.533 108.800 0.234 0.000 2.559 346 G HA2 -0.181 3.780 3.960 0.001 0.000 0.216 346 G HA3 -0.181 3.780 3.960 0.001 0.000 0.216 346 G C 1.640 176.703 174.900 0.271 0.000 1.126 346 G CA 1.232 46.448 45.100 0.194 0.000 0.778 346 G HN 0.410 nan 8.290 nan 0.000 0.543 347 T N -2.094 112.548 114.554 0.146 0.000 3.072 347 T HA 0.018 4.369 4.350 0.001 0.000 0.266 347 T C 2.255 176.918 174.700 -0.062 0.000 1.127 347 T CA 1.294 63.378 62.100 -0.027 0.000 1.107 347 T CB -0.078 68.620 68.868 -0.285 0.000 0.910 347 T HN 0.082 nan 8.240 nan 0.000 0.513 348 S N 1.805 117.499 115.700 -0.011 0.000 2.522 348 S HA 0.073 4.543 4.470 0.001 0.000 0.227 348 S C 1.431 176.039 174.600 0.013 0.000 0.986 348 S CA 0.621 58.827 58.200 0.010 0.000 0.929 348 S CB -0.120 63.122 63.200 0.071 0.000 0.769 348 S HN 0.812 nan 8.310 nan 0.000 0.529 349 S N 0.356 116.019 115.700 -0.062 0.000 2.740 349 S HA 0.382 4.853 4.470 0.001 0.000 0.244 349 S C 0.538 175.081 174.600 -0.096 0.000 1.101 349 S CA -0.442 57.660 58.200 -0.164 0.000 1.123 349 S CB -0.473 62.277 63.200 -0.749 0.000 1.012 349 S HN 0.268 nan 8.310 nan 0.000 0.491 350 L N 1.837 123.034 121.223 -0.042 0.000 2.622 350 L HA 0.052 4.392 4.340 0.001 0.000 0.233 350 L C 1.818 178.653 176.870 -0.059 0.000 1.156 350 L CA 0.320 55.128 54.840 -0.053 0.000 0.866 350 L CB -0.504 41.498 42.059 -0.095 0.000 0.980 350 L HN 0.556 nan 8.230 nan 0.000 0.448 351 N N -0.929 117.737 118.700 -0.056 0.000 2.280 351 N HA -0.013 4.728 4.740 0.001 0.000 0.192 351 N C 0.145 175.618 175.510 -0.063 0.000 1.109 351 N CA 0.010 53.020 53.050 -0.068 0.000 0.855 351 N CB 0.142 38.569 38.487 -0.100 0.000 0.974 351 N HN 0.027 nan 8.380 nan 0.000 0.482 352 V N 2.029 121.900 119.914 -0.072 0.000 2.368 352 V HA 0.233 4.354 4.120 0.001 0.000 0.266 352 V C 1.074 177.136 176.094 -0.054 0.000 1.045 352 V CA 0.093 62.341 62.300 -0.087 0.000 0.899 352 V CB 0.832 32.536 31.823 -0.198 0.000 1.006 352 V HN 0.498 nan 8.190 nan 0.000 0.470 353 T N -0.383 114.151 114.554 -0.033 0.000 2.958 353 T HA 0.135 4.485 4.350 0.001 0.000 0.256 353 T C 0.705 175.406 174.700 0.002 0.000 0.983 353 T CA 0.494 62.587 62.100 -0.012 0.000 0.924 353 T CB 0.501 69.361 68.868 -0.014 0.000 1.136 353 T HN 0.656 nan 8.240 nan 0.000 0.506 354 T N -0.648 113.906 114.554 -0.001 0.000 2.950 354 T HA 0.480 4.830 4.350 0.001 0.000 0.288 354 T C 0.184 174.896 174.700 0.020 0.000 1.035 354 T CA -0.597 61.511 62.100 0.013 0.000 1.028 354 T CB 1.785 70.660 68.868 0.012 0.000 1.109 354 T HN -0.218 nan 8.240 nan 0.000 0.514 355 D N 0.880 121.303 120.400 0.038 0.000 2.117 355 D HA -0.045 4.596 4.640 0.001 0.000 0.197 355 D C 2.299 178.630 176.300 0.053 0.000 0.987 355 D CA 1.701 55.735 54.000 0.057 0.000 0.829 355 D CB -0.645 40.197 40.800 0.069 0.000 0.961 355 D HN 0.753 nan 8.370 nan 0.000 0.460 356 A N 0.592 123.437 122.820 0.042 0.000 1.933 356 A HA -0.212 4.109 4.320 0.001 0.000 0.218 356 A C 2.109 179.713 177.584 0.032 0.000 1.175 356 A CA 1.338 53.400 52.037 0.041 0.000 0.628 356 A CB -0.509 18.510 19.000 0.033 0.000 0.814 356 A HN 0.223 nan 8.150 nan 0.000 0.444 357 Q N -0.771 119.038 119.800 0.015 0.000 2.123 357 Q HA 0.006 4.347 4.340 0.001 0.000 0.199 357 Q C 2.394 178.381 176.000 -0.021 0.000 0.966 357 Q CA 1.110 56.916 55.803 0.005 0.000 0.845 357 Q CB -0.326 28.406 28.738 -0.010 0.000 0.907 357 Q HN 0.682 nan 8.270 nan 0.000 0.439 358 A N 1.297 124.083 122.820 -0.058 0.000 1.898 358 A HA -0.213 4.108 4.320 0.001 0.000 0.216 358 A C 2.016 179.483 177.584 -0.194 0.000 1.181 358 A CA 1.513 53.429 52.037 -0.203 0.000 0.620 358 A CB -0.473 18.454 19.000 -0.121 0.000 0.819 358 A HN 0.232 nan 8.150 nan 0.000 0.442 359 R N -0.548 119.975 120.500 0.038 0.000 2.096 359 R HA -0.186 4.154 4.340 0.001 0.000 0.235 359 R C 1.993 178.365 176.300 0.121 0.000 1.127 359 R CA 1.863 58.059 56.100 0.160 0.000 0.968 359 R CB -0.187 30.198 30.300 0.141 0.000 0.861 359 R HN 0.478 nan 8.270 nan 0.000 0.440 360 E N -0.730 119.511 120.200 0.067 0.000 2.158 360 E HA -0.166 4.184 4.350 0.001 0.000 0.191 360 E C 1.448 178.090 176.600 0.069 0.000 0.982 360 E CA 0.888 57.329 56.400 0.068 0.000 0.823 360 E CB -0.278 29.461 29.700 0.065 0.000 0.766 360 E HN 0.422 nan 8.360 nan 0.000 0.468 361 Y N -0.275 119.945 120.300 -0.134 0.000 2.200 361 Y HA -0.163 4.388 4.550 0.001 0.000 0.290 361 Y C 1.528 177.308 175.900 -0.199 0.000 1.137 361 Y CA 1.426 59.395 58.100 -0.217 0.000 1.163 361 Y CB -0.431 37.804 38.460 -0.374 0.000 0.988 361 Y HN 0.035 nan 8.280 nan 0.000 0.518 362 F N 0.746 120.637 119.950 -0.097 0.000 2.134 362 F HA -0.152 4.376 4.527 0.001 0.000 0.299 362 F C 2.315 178.036 175.800 -0.132 0.000 1.097 362 F CA 1.411 59.324 58.000 -0.146 0.000 1.264 362 F CB -0.909 38.189 39.000 0.163 0.000 1.001 362 F HN -0.014 nan 8.300 nan 0.000 0.479 363 K N 0.060 120.545 120.400 0.141 0.000 2.063 363 K HA -0.259 4.062 4.320 0.001 0.000 0.208 363 K C 2.126 178.683 176.600 -0.072 0.000 1.048 363 K CA 1.726 58.047 56.287 0.057 0.000 0.928 363 K CB -0.485 32.047 32.500 0.054 0.000 0.713 363 K HN 0.385 nan 8.250 nan 0.000 0.442 364 Q N 0.614 120.342 119.800 -0.121 0.000 2.119 364 Q HA -0.109 4.232 4.340 0.001 0.000 0.201 364 Q C 1.714 177.513 176.000 -0.335 0.000 0.972 364 Q CA 1.656 57.356 55.803 -0.171 0.000 0.847 364 Q CB 0.125 28.808 28.738 -0.090 0.000 0.903 364 Q HN 0.093 nan 8.270 nan 0.000 0.433 365 S N -0.183 115.191 115.700 -0.544 0.000 2.395 365 S HA 0.044 4.515 4.470 0.001 0.000 0.225 365 S C -0.175 173.955 174.600 -0.783 0.000 1.027 365 S CA 0.383 58.094 58.200 -0.816 0.000 0.965 365 S CB 0.120 62.570 63.200 -1.250 0.000 0.812 365 S HN 0.315 nan 8.310 nan 0.000 0.482 366 F N 1.738 121.598 119.950 -0.150 0.000 2.310 366 F HA 0.328 4.855 4.527 0.001 0.000 0.365 366 F C 1.082 176.735 175.800 -0.244 0.000 1.080 366 F CA -1.660 56.243 58.000 -0.160 0.000 1.187 366 F CB 0.171 39.114 39.000 -0.095 0.000 1.465 366 F HN -0.103 nan 8.300 nan 0.000 0.496 367 V N -1.246 118.532 119.914 -0.227 0.000 2.867 367 V HA -0.199 3.921 4.120 0.001 0.000 0.260 367 V C 1.480 177.370 176.094 -0.340 0.000 1.099 367 V CA 1.795 63.901 62.300 -0.323 0.000 1.122 367 V CB -0.738 30.835 31.823 -0.417 0.000 0.708 367 V HN 0.666 nan 8.190 nan 0.000 0.490 368 H N 0.772 119.779 119.070 -0.104 0.000 2.551 368 H HA 0.584 5.141 4.556 0.001 0.000 0.271 368 H C 1.167 176.340 175.328 -0.259 0.000 0.984 368 H CA 0.459 56.407 56.048 -0.166 0.000 1.164 368 H CB 0.184 29.834 29.762 -0.188 0.000 1.437 368 H HN 0.619 nan 8.280 nan 0.000 0.550 369 A N 1.999 124.689 122.820 -0.217 0.000 2.328 369 A HA 0.373 4.694 4.320 0.001 0.000 0.284 369 A C 0.873 178.358 177.584 -0.166 0.000 1.160 369 A CA -0.343 51.487 52.037 -0.346 0.000 0.818 369 A CB 0.423 19.109 19.000 -0.523 0.000 1.087 369 A HN 0.346 nan 8.150 nan 0.000 0.504 370 S N 1.608 117.220 115.700 -0.146 0.000 2.634 370 S HA 0.175 4.645 4.470 0.001 0.000 0.261 370 S C 0.394 174.973 174.600 -0.035 0.000 1.271 370 S CA -0.128 58.028 58.200 -0.072 0.000 0.985 370 S CB 0.552 63.713 63.200 -0.065 0.000 0.968 370 S HN 0.631 nan 8.310 nan 0.000 0.568 371 D N 0.846 121.241 120.400 -0.008 0.000 2.144 371 D HA -0.024 4.617 4.640 0.001 0.000 0.200 371 D C 2.197 178.513 176.300 0.027 0.000 0.978 371 D CA 1.565 55.577 54.000 0.020 0.000 0.833 371 D CB -0.699 40.113 40.800 0.021 0.000 0.961 371 D HN 0.675 nan 8.370 nan 0.000 0.470 372 A N 1.155 123.982 122.820 0.011 0.000 1.902 372 A HA -0.202 4.118 4.320 0.001 0.000 0.217 372 A C 2.070 179.670 177.584 0.027 0.000 1.181 372 A CA 1.420 53.467 52.037 0.017 0.000 0.623 372 A CB -0.483 18.520 19.000 0.004 0.000 0.818 372 A HN 0.200 nan 8.150 nan 0.000 0.443 373 E N -0.411 119.796 120.200 0.012 0.000 2.106 373 E HA -0.136 4.214 4.350 0.001 0.000 0.192 373 E C 1.819 178.491 176.600 0.119 0.000 0.984 373 E CA 0.963 57.390 56.400 0.045 0.000 0.806 373 E CB -0.186 29.481 29.700 -0.056 0.000 0.750 373 E HN 0.510 nan 8.360 nan 0.000 0.458 374 I N 1.814 122.442 120.570 0.097 0.000 2.286 374 I HA -0.213 3.957 4.170 0.001 0.000 0.248 374 I C 1.694 177.889 176.117 0.130 0.000 1.115 374 I CA 1.348 62.738 61.300 0.150 0.000 1.392 374 I CB -0.900 37.196 38.000 0.160 0.000 1.065 374 I HN 0.056 nan 8.210 nan 0.000 0.418 375 D N 0.379 120.837 120.400 0.097 0.000 2.144 375 D HA -0.103 4.537 4.640 0.001 0.000 0.200 375 D C 2.169 178.514 176.300 0.074 0.000 0.978 375 D CA 1.330 55.382 54.000 0.087 0.000 0.833 375 D CB -0.070 40.769 40.800 0.065 0.000 0.961 375 D HN 0.257 nan 8.370 nan 0.000 0.470 376 T N 1.247 115.837 114.554 0.061 0.000 2.777 376 T HA -0.126 4.225 4.350 0.001 0.000 0.266 376 T C 1.951 176.674 174.700 0.038 0.000 1.040 376 T CA 0.436 62.561 62.100 0.042 0.000 1.141 376 T CB -0.281 68.607 68.868 0.032 0.000 0.868 376 T HN 0.039 nan 8.240 nan 0.000 0.444 377 L N 0.875 122.120 121.223 0.036 0.000 2.083 377 L HA 0.080 4.420 4.340 0.001 0.000 0.209 377 L C 2.124 179.051 176.870 0.095 0.000 1.083 377 L CA 1.727 56.565 54.840 -0.004 0.000 0.752 377 L CB -0.564 41.400 42.059 -0.158 0.000 0.899 377 L HN 0.251 nan 8.230 nan 0.000 0.433 378 M N -1.930 117.737 119.600 0.111 0.000 2.659 378 M HA -0.047 4.434 4.480 0.001 0.000 0.243 378 M C 1.414 177.796 176.300 0.137 0.000 1.111 378 M CA 0.833 56.237 55.300 0.173 0.000 1.070 378 M CB -0.273 32.453 32.600 0.210 0.000 1.525 378 M HN 0.225 nan 8.290 nan 0.000 0.517 379 T N 0.131 114.738 114.554 0.089 0.000 3.021 379 T HA 0.164 4.514 4.350 0.001 0.000 0.245 379 T C 1.953 176.661 174.700 0.013 0.000 1.028 379 T CA 0.954 63.086 62.100 0.053 0.000 1.139 379 T CB 0.088 68.978 68.868 0.036 0.000 0.884 379 T HN 0.417 nan 8.240 nan 0.000 0.457 380 A N 0.562 123.372 122.820 -0.016 0.000 1.969 380 A HA 0.054 4.374 4.320 0.001 0.000 0.218 380 A C 0.304 177.673 177.584 -0.358 0.000 1.169 380 A CA 0.995 52.926 52.037 -0.176 0.000 0.635 380 A CB -0.470 18.415 19.000 -0.192 0.000 0.810 380 A HN 0.578 nan 8.150 nan 0.000 0.445 381 Y N 0.636 120.949 120.300 0.022 0.000 2.805 381 Y HA 0.329 4.880 4.550 0.001 0.000 0.339 381 Y C -2.410 173.546 175.900 0.092 0.000 1.012 381 Y CA -3.062 55.077 58.100 0.064 0.000 1.262 381 Y CB 0.817 39.306 38.460 0.047 0.000 1.100 381 Y HN 0.186 nan 8.280 nan 0.000 0.559 382 P HA 0.060 nan 4.420 nan 0.000 0.274 382 P C 0.929 178.320 177.300 0.152 0.000 1.237 382 P CA 0.171 63.353 63.100 0.137 0.000 0.793 382 P CB 1.512 33.265 31.700 0.087 0.000 0.977 383 G N 0.659 109.538 108.800 0.130 0.000 2.432 383 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 383 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 383 G C 0.561 175.523 174.900 0.103 0.000 1.135 383 G CA 0.264 45.435 45.100 0.118 0.000 0.767 383 G HN 0.582 nan 8.290 nan 0.000 0.550 384 D N 1.223 121.679 120.400 0.093 0.000 2.854 384 D HA -0.118 4.522 4.640 0.001 0.000 0.243 384 D C 2.083 178.437 176.300 0.091 0.000 1.243 384 D CA 0.046 54.096 54.000 0.083 0.000 0.883 384 D CB -0.160 40.686 40.800 0.077 0.000 1.145 384 D HN 0.457 nan 8.370 nan 0.000 0.555 385 I N 1.522 122.141 120.570 0.083 0.000 2.530 385 I HA -0.256 3.914 4.170 0.001 0.000 0.257 385 I C 1.734 177.901 176.117 0.083 0.000 1.179 385 I CA 1.544 62.895 61.300 0.084 0.000 1.440 385 I CB -0.854 37.193 38.000 0.080 0.000 1.087 385 I HN 0.369 nan 8.210 nan 0.000 0.440 386 T N -1.953 112.651 114.554 0.083 0.000 3.035 386 T HA -0.021 4.330 4.350 0.001 0.000 0.268 386 T C 1.744 176.513 174.700 0.115 0.000 1.109 386 T CA 0.618 62.771 62.100 0.088 0.000 1.119 386 T CB -0.194 68.720 68.868 0.076 0.000 0.900 386 T HN 0.470 nan 8.240 nan 0.000 0.503 387 Q N 0.891 120.766 119.800 0.126 0.000 2.398 387 Q HA 0.284 4.625 4.340 0.001 0.000 0.204 387 Q C 1.426 177.574 176.000 0.247 0.000 0.932 387 Q CA 0.483 56.389 55.803 0.172 0.000 0.916 387 Q CB -0.004 28.819 28.738 0.142 0.000 1.024 387 Q HN 0.678 nan 8.270 nan 0.000 0.504 388 G N 0.451 109.338 108.800 0.144 0.000 2.543 388 G HA2 0.262 4.222 3.960 0.001 0.000 0.290 388 G HA3 0.262 4.222 3.960 0.001 0.000 0.290 388 G C -0.772 173.936 174.900 -0.321 0.000 1.310 388 G CA -0.353 44.763 45.100 0.026 0.000 1.025 388 G HN 0.081 nan 8.290 nan 0.000 0.502 389 S N -0.005 115.280 115.700 -0.691 0.000 2.508 389 S HA 0.523 4.993 4.470 0.001 0.000 0.284 389 S C -2.496 171.823 174.600 -0.469 0.000 1.192 389 S CA -1.335 56.253 58.200 -1.021 0.000 1.070 389 S CB 1.234 63.772 63.200 -1.104 0.000 1.004 389 S HN 0.202 nan 8.310 nan 0.000 0.493 390 P HA 0.054 nan 4.420 nan 0.000 0.257 390 P C -0.781 176.434 177.300 -0.143 0.000 1.189 390 P CA 0.163 63.168 63.100 -0.159 0.000 0.780 390 P CB -0.203 31.515 31.700 0.030 0.000 0.772 391 F N 2.729 122.715 119.950 0.060 0.000 2.602 391 F HA -0.014 4.513 4.527 0.001 0.000 0.367 391 F C 1.486 177.312 175.800 0.043 0.000 1.126 391 F CA 0.827 58.854 58.000 0.044 0.000 1.321 391 F CB -0.251 38.756 39.000 0.012 0.000 1.094 391 F HN 0.442 nan 8.300 nan 0.000 0.594 392 D N 0.140 120.691 120.400 0.252 0.000 2.800 392 D HA -0.172 4.469 4.640 0.001 0.000 0.232 392 D C 0.862 177.229 176.300 0.111 0.000 1.137 392 D CA 1.243 55.334 54.000 0.151 0.000 0.718 392 D CB -1.552 39.323 40.800 0.125 0.000 1.084 392 D HN 0.759 nan 8.370 nan 0.000 0.432 393 T N -3.581 111.034 114.554 0.102 0.000 3.129 393 T HA 0.479 4.829 4.350 0.001 0.000 0.267 393 T C 1.328 176.070 174.700 0.071 0.000 1.018 393 T CA 0.686 62.834 62.100 0.080 0.000 0.903 393 T CB 1.113 70.027 68.868 0.077 0.000 1.067 393 T HN 0.659 nan 8.240 nan 0.000 0.549 394 G N 3.475 112.320 108.800 0.074 0.000 2.622 394 G HA2 -0.369 3.591 3.960 0.001 0.000 0.307 394 G HA3 -0.369 3.591 3.960 0.001 0.000 0.307 394 G C 0.761 175.699 174.900 0.064 0.000 1.226 394 G CA 0.507 45.646 45.100 0.065 0.000 0.997 394 G HN 1.134 nan 8.290 nan 0.000 0.551 395 I N -0.001 120.602 120.570 0.055 0.000 3.684 395 I HA 0.471 4.641 4.170 0.001 0.000 0.304 395 I C 1.112 177.262 176.117 0.054 0.000 1.278 395 I CA -0.268 61.064 61.300 0.053 0.000 1.272 395 I CB -0.333 37.693 38.000 0.043 0.000 1.029 395 I HN 0.287 nan 8.210 nan 0.000 0.458 396 L N 2.025 123.282 121.223 0.057 0.000 2.466 396 L HA 0.261 4.601 4.340 0.001 0.000 0.257 396 L C 0.583 177.499 176.870 0.077 0.000 1.189 396 L CA -0.388 54.486 54.840 0.057 0.000 0.813 396 L CB -0.006 42.085 42.059 0.054 0.000 1.118 396 L HN 0.348 nan 8.230 nan 0.000 0.471 397 N N -0.202 118.542 118.700 0.073 0.000 2.776 397 N HA -0.169 4.572 4.740 0.001 0.000 0.249 397 N C -0.062 175.532 175.510 0.141 0.000 1.111 397 N CA 0.970 54.083 53.050 0.107 0.000 0.711 397 N CB -1.096 37.498 38.487 0.179 0.000 1.065 397 N HN 0.744 nan 8.380 nan 0.000 0.556 398 A N 0.779 123.648 122.820 0.082 0.000 3.091 398 A HA 0.344 4.665 4.320 0.001 0.000 0.264 398 A C 1.709 179.306 177.584 0.021 0.000 1.673 398 A CA -0.448 51.641 52.037 0.087 0.000 1.362 398 A CB -0.377 18.660 19.000 0.062 0.000 1.137 398 A HN 0.341 nan 8.150 nan 0.000 0.617 399 L N 0.361 121.554 121.223 -0.050 0.000 2.081 399 L HA -0.088 4.252 4.340 0.001 0.000 0.212 399 L C 1.566 178.384 176.870 -0.086 0.000 1.080 399 L CA 1.850 56.578 54.840 -0.186 0.000 0.754 399 L CB -1.099 40.642 42.059 -0.530 0.000 0.893 399 L HN 0.787 nan 8.230 nan 0.000 0.433 400 T N -6.301 108.257 114.554 0.007 0.000 2.787 400 T HA 0.365 4.715 4.350 0.001 0.000 0.297 400 T C -2.466 172.280 174.700 0.077 0.000 1.221 400 T CA -1.270 60.848 62.100 0.029 0.000 1.006 400 T CB 1.820 70.706 68.868 0.029 0.000 1.328 400 T HN -0.336 nan 8.240 nan 0.000 0.509 401 P HA 0.113 nan 4.420 nan 0.000 0.233 401 P C 0.970 178.322 177.300 0.086 0.000 1.167 401 P CA 0.614 63.754 63.100 0.068 0.000 0.770 401 P CB 0.175 31.903 31.700 0.047 0.000 0.837 402 Q N -2.963 116.893 119.800 0.092 0.000 2.280 402 Q HA 0.152 4.493 4.340 0.001 0.000 0.228 402 Q C 1.484 177.553 176.000 0.116 0.000 0.857 402 Q CA -0.083 55.774 55.803 0.090 0.000 0.939 402 Q CB -0.551 28.210 28.738 0.038 0.000 1.114 402 Q HN 0.265 nan 8.270 nan 0.000 0.514 403 F N 3.051 123.000 119.950 -0.000 0.000 2.065 403 F HA -0.232 4.295 4.527 0.001 0.000 0.298 403 F C 1.816 177.627 175.800 0.019 0.000 1.112 403 F CA 1.815 59.812 58.000 -0.005 0.000 1.212 403 F CB 0.128 39.114 39.000 -0.023 0.000 0.975 403 F HN -0.099 nan 8.300 nan 0.000 0.476 404 K N -0.100 120.196 120.400 -0.173 0.000 2.097 404 K HA -0.196 4.124 4.320 0.001 0.000 0.206 404 K C 2.359 178.860 176.600 -0.166 0.000 1.049 404 K CA 1.448 57.557 56.287 -0.296 0.000 0.933 404 K CB -0.344 32.116 32.500 -0.067 0.000 0.717 404 K HN 0.314 nan 8.250 nan 0.000 0.442 405 R N 1.523 122.021 120.500 -0.002 0.000 2.070 405 R HA -0.096 4.245 4.340 0.001 0.000 0.232 405 R C 2.217 178.594 176.300 0.129 0.000 1.138 405 R CA 1.396 57.569 56.100 0.123 0.000 0.936 405 R CB -0.294 30.116 30.300 0.184 0.000 0.839 405 R HN 0.110 nan 8.270 nan 0.000 0.429 406 I N 0.959 121.601 120.570 0.119 0.000 2.264 406 I HA -0.253 3.918 4.170 0.001 0.000 0.248 406 I C 2.228 178.390 176.117 0.075 0.000 1.111 406 I CA 1.303 62.720 61.300 0.194 0.000 1.382 406 I CB -0.176 37.898 38.000 0.122 0.000 1.060 406 I HN 0.239 nan 8.210 nan 0.000 0.418 407 S N 0.699 116.322 115.700 -0.129 0.000 2.383 407 S HA -0.113 4.357 4.470 0.001 0.000 0.227 407 S C 2.251 176.820 174.600 -0.051 0.000 1.026 407 S CA 1.202 59.302 58.200 -0.166 0.000 0.981 407 S CB -0.258 62.633 63.200 -0.514 0.000 0.818 407 S HN 0.548 nan 8.310 nan 0.000 0.472 408 A N 1.210 124.005 122.820 -0.043 0.000 1.898 408 A HA -0.028 4.292 4.320 0.001 0.000 0.216 408 A C 2.327 179.931 177.584 0.032 0.000 1.181 408 A CA 1.431 53.564 52.037 0.159 0.000 0.620 408 A CB -0.853 18.385 19.000 0.396 0.000 0.819 408 A HN 0.337 nan 8.150 nan 0.000 0.442 409 V N -0.248 119.511 119.914 -0.258 0.000 2.237 409 V HA -0.219 3.901 4.120 0.001 0.000 0.245 409 V C 2.490 178.491 176.094 -0.155 0.000 1.046 409 V CA 1.855 63.834 62.300 -0.534 0.000 1.007 409 V CB -0.846 30.686 31.823 -0.486 0.000 0.638 409 V HN 0.461 nan 8.190 nan 0.000 0.445 410 L N 1.159 122.410 121.223 0.048 0.000 2.042 410 L HA -0.106 4.234 4.340 0.001 0.000 0.210 410 L C 2.547 179.562 176.870 0.242 0.000 1.076 410 L CA 2.392 57.319 54.840 0.146 0.000 0.749 410 L CB -1.701 40.487 42.059 0.215 0.000 0.893 410 L HN 0.385 nan 8.230 nan 0.000 0.432 411 G N -1.522 107.463 108.800 0.309 0.000 2.408 411 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 411 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 411 G C 1.295 176.476 174.900 0.469 0.000 1.150 411 G CA 0.740 46.120 45.100 0.467 0.000 0.776 411 G HN 0.326 nan 8.290 nan 0.000 0.542 412 D N -0.136 120.459 120.400 0.326 0.000 2.103 412 D HA -0.043 4.597 4.640 0.001 0.000 0.199 412 D C 2.366 178.829 176.300 0.271 0.000 0.978 412 D CA 0.385 54.582 54.000 0.329 0.000 0.829 412 D CB -0.269 40.720 40.800 0.316 0.000 0.981 412 D HN 0.221 nan 8.370 nan 0.000 0.464 413 L N 0.514 121.789 121.223 0.087 0.000 2.027 413 L HA 0.097 4.438 4.340 0.001 0.000 0.206 413 L C 2.070 178.984 176.870 0.073 0.000 1.074 413 L CA 2.012 56.873 54.840 0.034 0.000 0.745 413 L CB -0.889 41.061 42.059 -0.182 0.000 0.898 413 L HN 0.064 nan 8.230 nan 0.000 0.433 414 G N -2.229 106.532 108.800 -0.066 0.000 2.464 414 G HA2 -0.097 3.864 3.960 0.001 0.000 0.217 414 G HA3 -0.097 3.864 3.960 0.001 0.000 0.217 414 G C 0.785 175.225 174.900 -0.767 0.000 1.138 414 G CA 1.065 45.854 45.100 -0.518 0.000 0.793 414 G HN 0.467 nan 8.290 nan 0.000 0.539 415 F N -1.072 118.971 119.950 0.155 0.000 1.881 415 F HA 0.193 4.721 4.527 0.001 0.000 0.233 415 F C 2.583 178.496 175.800 0.190 0.000 1.186 415 F CA 0.563 58.659 58.000 0.161 0.000 1.298 415 F CB -0.562 38.554 39.000 0.193 0.000 1.756 415 F HN -0.145 nan 8.300 nan 0.000 0.431 416 T N 2.403 117.248 114.554 0.485 0.000 2.665 416 T HA -0.140 4.211 4.350 0.001 0.000 0.268 416 T C 1.975 176.908 174.700 0.388 0.000 1.035 416 T CA 1.777 64.117 62.100 0.399 0.000 1.151 416 T CB -0.490 68.631 68.868 0.421 0.000 0.862 416 T HN 0.102 nan 8.240 nan 0.000 0.438 417 L N 0.201 121.698 121.223 0.457 0.000 2.375 417 L HA 0.229 4.569 4.340 0.001 0.000 0.215 417 L C 2.998 180.125 176.870 0.429 0.000 1.108 417 L CA 0.461 55.639 54.840 0.562 0.000 0.830 417 L CB -0.621 41.889 42.059 0.751 0.000 0.959 417 L HN 0.240 nan 8.230 nan 0.000 0.457 418 A N 0.755 123.772 122.820 0.328 0.000 1.908 418 A HA -0.253 4.067 4.320 0.001 0.000 0.218 418 A C 2.436 180.053 177.584 0.054 0.000 1.181 418 A CA 1.783 53.853 52.037 0.054 0.000 0.627 418 A CB -0.557 18.522 19.000 0.131 0.000 0.818 418 A HN 0.359 nan 8.150 nan 0.000 0.445 419 R N -0.406 120.172 120.500 0.129 0.000 2.083 419 R HA -0.168 4.172 4.340 0.001 0.000 0.237 419 R C 2.408 178.790 176.300 0.136 0.000 1.137 419 R CA 1.775 57.939 56.100 0.108 0.000 0.951 419 R CB -0.352 29.998 30.300 0.084 0.000 0.851 419 R HN 0.539 nan 8.270 nan 0.000 0.434 420 R N -0.697 119.907 120.500 0.173 0.000 2.096 420 R HA -0.215 4.126 4.340 0.001 0.000 0.235 420 R C 2.137 178.590 176.300 0.254 0.000 1.127 420 R CA 1.808 58.002 56.100 0.156 0.000 0.968 420 R CB -0.471 29.926 30.300 0.163 0.000 0.861 420 R HN 0.348 nan 8.270 nan 0.000 0.440 421 Y N 0.166 120.602 120.300 0.226 0.000 2.145 421 Y HA -0.277 4.273 4.550 0.001 0.000 0.286 421 Y C 1.888 177.925 175.900 0.229 0.000 1.145 421 Y CA 2.036 60.270 58.100 0.224 0.000 1.148 421 Y CB -0.477 37.848 38.460 -0.225 0.000 0.981 421 Y HN 0.140 nan 8.280 nan 0.000 0.507 422 F N 0.185 120.229 119.950 0.156 0.000 2.075 422 F HA -0.243 4.285 4.527 0.001 0.000 0.297 422 F C 1.890 177.698 175.800 0.012 0.000 1.113 422 F CA 1.826 59.849 58.000 0.038 0.000 1.218 422 F CB -0.779 38.150 39.000 -0.119 0.000 0.984 422 F HN 0.020 nan 8.300 nan 0.000 0.472 423 L N 0.306 121.428 121.223 -0.168 0.000 2.079 423 L HA -0.261 4.080 4.340 0.001 0.000 0.210 423 L C 1.875 178.632 176.870 -0.188 0.000 1.081 423 L CA 1.880 56.526 54.840 -0.323 0.000 0.752 423 L CB -0.880 40.895 42.059 -0.474 0.000 0.896 423 L HN 0.249 nan 8.230 nan 0.000 0.433 424 N N -1.666 116.961 118.700 -0.122 0.000 2.515 424 N HA -0.105 4.635 4.740 0.001 0.000 0.185 424 N C 1.070 176.317 175.510 -0.437 0.000 1.109 424 N CA 0.315 53.232 53.050 -0.222 0.000 0.903 424 N CB 0.155 38.480 38.487 -0.270 0.000 0.969 424 N HN 0.431 nan 8.380 nan 0.000 0.450 425 H N -2.304 116.634 119.070 -0.220 0.000 3.205 425 H HA 0.117 4.674 4.556 0.001 0.000 0.252 425 H C -0.688 174.570 175.328 -0.117 0.000 1.015 425 H CA -0.387 55.568 56.048 -0.155 0.000 1.192 425 H CB 0.328 30.005 29.762 -0.143 0.000 1.474 425 H HN 0.115 nan 8.280 nan 0.000 0.484 426 Y N 2.695 122.749 120.300 -0.409 0.000 2.436 426 Y HA 0.163 4.713 4.550 0.001 0.000 0.336 426 Y C 0.857 176.555 175.900 -0.338 0.000 1.049 426 Y CA 0.071 57.799 58.100 -0.620 0.000 1.294 426 Y CB 0.774 38.398 38.460 -1.394 0.000 1.179 426 Y HN 0.133 nan 8.280 nan 0.000 0.520 427 T N 0.166 114.368 114.554 -0.586 0.000 3.145 427 T HA 0.195 4.546 4.350 0.001 0.000 0.281 427 T C 1.579 175.971 174.700 -0.513 0.000 1.003 427 T CA 0.197 62.064 62.100 -0.388 0.000 0.901 427 T CB 0.088 68.876 68.868 -0.134 0.000 1.112 427 T HN 0.725 nan 8.240 nan 0.000 0.535 428 G N 0.947 109.015 108.800 -1.220 0.000 2.470 428 G HA2 0.453 4.414 3.960 0.001 0.000 0.220 428 G HA3 0.453 4.414 3.960 0.001 0.000 0.220 428 G C 0.726 175.479 174.900 -0.246 0.000 1.121 428 G CA 0.341 45.033 45.100 -0.679 0.000 0.766 428 G HN 0.989 nan 8.290 nan 0.000 0.553 429 G N -2.080 106.619 108.800 -0.168 0.000 2.342 429 G HA2 0.409 4.370 3.960 0.001 0.000 0.297 429 G HA3 0.409 4.370 3.960 0.001 0.000 0.297 429 G C -0.865 174.087 174.900 0.086 0.000 1.313 429 G CA -0.293 44.840 45.100 0.056 0.000 0.830 429 G HN 0.125 nan 8.290 nan 0.000 0.506 430 T N 1.248 115.849 114.554 0.078 0.000 2.928 430 T HA 0.369 4.719 4.350 0.001 0.000 0.305 430 T C 0.106 174.784 174.700 -0.036 0.000 1.035 430 T CA 0.452 62.539 62.100 -0.021 0.000 1.145 430 T CB 0.409 69.261 68.868 -0.026 0.000 0.963 430 T HN 0.450 nan 8.240 nan 0.000 0.545 431 K N 1.915 122.203 120.400 -0.187 0.000 2.270 431 K HA 0.526 4.846 4.320 0.001 0.000 0.255 431 K C -1.423 174.955 176.600 -0.369 0.000 0.936 431 K CA -0.677 55.524 56.287 -0.143 0.000 0.809 431 K CB 1.625 34.109 32.500 -0.026 0.000 1.131 431 K HN 0.510 nan 8.250 nan 0.000 0.427 432 Y N -0.058 120.212 120.300 -0.050 0.000 2.391 432 Y HA 0.407 4.958 4.550 0.001 0.000 0.341 432 Y C -0.028 175.979 175.900 0.179 0.000 0.965 432 Y CA -0.655 57.395 58.100 -0.084 0.000 1.067 432 Y CB 2.586 40.600 38.460 -0.743 0.000 1.199 432 Y HN 0.458 nan 8.280 nan 0.000 0.450 433 S N 3.706 119.821 115.700 0.692 0.000 2.548 433 S HA 0.834 5.305 4.470 0.001 0.000 0.286 433 S C -1.402 173.614 174.600 0.693 0.000 1.098 433 S CA -0.586 57.929 58.200 0.524 0.000 0.930 433 S CB 0.559 63.850 63.200 0.153 0.000 1.070 433 S HN 0.494 nan 8.310 nan 0.000 0.480 434 F N 2.326 122.509 119.950 0.389 0.000 2.620 434 F HA 0.926 5.453 4.527 0.001 0.000 0.320 434 F C -1.581 174.293 175.800 0.123 0.000 1.069 434 F CA -1.309 56.764 58.000 0.122 0.000 0.953 434 F CB 1.211 40.218 39.000 0.013 0.000 1.322 434 F HN 0.445 nan 8.300 nan 0.000 0.479 435 L N 2.156 123.496 121.223 0.195 0.000 2.482 435 L HA 0.541 4.882 4.340 0.001 0.000 0.269 435 L C -0.899 176.066 176.870 0.157 0.000 0.967 435 L CA -0.170 54.746 54.840 0.127 0.000 0.851 435 L CB 1.820 43.933 42.059 0.090 0.000 1.242 435 L HN 0.900 nan 8.230 nan 0.000 0.404 436 S N 3.802 119.648 115.700 0.243 0.000 2.525 436 S HA 0.522 4.992 4.470 0.001 0.000 0.278 436 S C 0.240 174.907 174.600 0.113 0.000 1.234 436 S CA -0.363 57.944 58.200 0.177 0.000 1.058 436 S CB 0.561 63.930 63.200 0.281 0.000 0.983 436 S HN 0.715 nan 8.310 nan 0.000 0.495 437 K N 3.556 124.006 120.400 0.083 0.000 2.706 437 K HA 0.132 4.453 4.320 0.001 0.000 0.203 437 K C 1.224 177.868 176.600 0.073 0.000 1.102 437 K CA -0.204 56.140 56.287 0.095 0.000 1.058 437 K CB 0.394 32.968 32.500 0.122 0.000 0.779 437 K HN 0.685 nan 8.250 nan 0.000 0.483 438 Q N 0.565 120.387 119.800 0.037 0.000 2.135 438 Q HA -0.102 4.239 4.340 0.001 0.000 0.204 438 Q C 0.626 176.627 176.000 0.002 0.000 0.981 438 Q CA 1.287 57.073 55.803 -0.028 0.000 0.856 438 Q CB 0.260 28.924 28.738 -0.123 0.000 0.902 438 Q HN 0.150 nan 8.270 nan 0.000 0.425 439 L N 0.926 122.183 121.223 0.057 0.000 2.848 439 L HA 0.238 4.578 4.340 0.001 0.000 0.240 439 L C -0.067 176.873 176.870 0.118 0.000 1.232 439 L CA 0.234 55.137 54.840 0.105 0.000 1.031 439 L CB 0.381 42.535 42.059 0.159 0.000 1.338 439 L HN -0.104 nan 8.230 nan 0.000 0.509 440 S N 0.416 116.173 115.700 0.095 0.000 2.563 440 S HA 0.342 4.813 4.470 0.001 0.000 0.294 440 S C 1.408 176.061 174.600 0.088 0.000 1.279 440 S CA 0.864 59.121 58.200 0.096 0.000 1.069 440 S CB 0.384 63.633 63.200 0.080 0.000 0.828 440 S HN 0.719 nan 8.310 nan 0.000 0.497 441 G N 1.677 110.533 108.800 0.093 0.000 2.232 441 G HA2 -0.226 3.735 3.960 0.001 0.000 0.226 441 G HA3 -0.226 3.735 3.960 0.001 0.000 0.226 441 G C -0.037 174.918 174.900 0.091 0.000 0.996 441 G CA -0.101 45.048 45.100 0.081 0.000 0.626 441 G HN 0.682 nan 8.290 nan 0.000 0.509 442 L N 3.353 124.649 121.223 0.120 0.000 2.500 442 L HA 0.538 4.879 4.340 0.001 0.000 0.272 442 L C -1.613 175.325 176.870 0.113 0.000 1.149 442 L CA -1.379 53.540 54.840 0.131 0.000 0.897 442 L CB 0.186 42.367 42.059 0.204 0.000 1.178 442 L HN -0.017 nan 8.230 nan 0.000 0.473 443 P HA 0.085 nan 4.420 nan 0.000 0.267 443 P C 0.728 178.067 177.300 0.064 0.000 1.200 443 P CA 0.113 63.251 63.100 0.062 0.000 0.772 443 P CB 0.696 32.417 31.700 0.034 0.000 0.855 444 V N 0.675 120.635 119.914 0.077 0.000 0.456 444 V HA -0.343 3.777 4.120 0.001 0.000 0.092 444 V C 1.658 177.870 176.094 0.195 0.000 2.503 444 V CA 2.387 64.747 62.300 0.099 0.000 3.694 444 V CB -1.931 29.889 31.823 -0.006 0.000 0.970 444 V HN 0.550 nan 8.190 nan 0.000 1.019 445 L N -0.489 120.823 121.223 0.150 0.000 2.470 445 L HA 0.580 4.920 4.340 0.001 0.000 0.219 445 L C 1.611 178.640 176.870 0.265 0.000 1.071 445 L CA 0.832 55.793 54.840 0.200 0.000 0.850 445 L CB 0.036 42.125 42.059 0.050 0.000 1.040 445 L HN 0.880 nan 8.230 nan 0.000 0.475 446 G N 0.726 109.670 108.800 0.239 0.000 2.552 446 G HA2 -0.300 3.660 3.960 0.001 0.000 0.265 446 G HA3 -0.300 3.660 3.960 0.001 0.000 0.265 446 G C 0.089 175.171 174.900 0.303 0.000 1.234 446 G CA -0.003 45.232 45.100 0.226 0.000 0.944 446 G HN 0.112 nan 8.290 nan 0.000 0.568 447 T N 2.482 117.164 114.554 0.214 0.000 3.414 447 T HA 0.479 4.830 4.350 0.001 0.000 0.304 447 T C 0.471 175.235 174.700 0.108 0.000 1.241 447 T CA 0.672 62.851 62.100 0.131 0.000 1.076 447 T CB -0.939 67.993 68.868 0.107 0.000 1.134 447 T HN 0.781 nan 8.240 nan 0.000 0.759 448 F N 0.456 120.475 119.950 0.115 0.000 2.440 448 F HA 0.459 4.986 4.527 0.001 0.000 0.323 448 F C 0.726 176.576 175.800 0.083 0.000 1.192 448 F CA -1.591 56.471 58.000 0.103 0.000 1.252 448 F CB 0.108 39.160 39.000 0.087 0.000 1.214 448 F HN 0.347 nan 8.300 nan 0.000 0.578 449 H N 1.306 120.450 119.070 0.125 0.000 3.070 449 H HA 0.216 4.773 4.556 0.001 0.000 0.313 449 H C 0.913 176.234 175.328 -0.011 0.000 0.997 449 H CA 1.112 57.155 56.048 -0.009 0.000 1.438 449 H CB 0.415 30.161 29.762 -0.027 0.000 1.455 449 H HN 1.012 nan 8.280 nan 0.000 0.575 450 S N 1.951 117.374 115.700 -0.462 0.000 2.857 450 S HA -0.344 4.126 4.470 0.001 0.000 0.268 450 S C 1.405 175.862 174.600 -0.239 0.000 1.297 450 S CA 1.344 59.373 58.200 -0.286 0.000 1.280 450 S CB -2.675 60.457 63.200 -0.114 0.000 1.562 450 S HN 0.977 nan 8.310 nan 0.000 0.661 451 N N 2.915 121.333 118.700 -0.469 0.000 2.364 451 N HA -0.110 4.631 4.740 0.001 0.000 0.183 451 N C 1.191 176.602 175.510 -0.165 0.000 1.022 451 N CA 1.438 54.202 53.050 -0.476 0.000 0.883 451 N CB -0.671 37.312 38.487 -0.839 0.000 0.965 451 N HN 0.759 nan 8.380 nan 0.000 0.438 452 D N 1.009 121.289 120.400 -0.201 0.000 2.178 452 D HA -0.172 4.468 4.640 0.001 0.000 0.201 452 D C 1.722 177.869 176.300 -0.255 0.000 0.980 452 D CA 0.659 54.424 54.000 -0.392 0.000 0.842 452 D CB -0.255 40.023 40.800 -0.870 0.000 0.948 452 D HN 0.299 nan 8.370 nan 0.000 0.472 453 I N 1.105 121.611 120.570 -0.106 0.000 2.286 453 I HA -0.188 3.982 4.170 0.001 0.000 0.248 453 I C 2.646 178.797 176.117 0.056 0.000 1.115 453 I CA 0.437 61.760 61.300 0.038 0.000 1.392 453 I CB -0.956 37.148 38.000 0.174 0.000 1.065 453 I HN -0.021 nan 8.210 nan 0.000 0.418 454 V N 0.584 120.456 119.914 -0.071 0.000 2.261 454 V HA -0.257 3.864 4.120 0.001 0.000 0.246 454 V C 2.187 178.136 176.094 -0.242 0.000 1.047 454 V CA 1.803 63.985 62.300 -0.197 0.000 1.015 454 V CB -0.802 30.670 31.823 -0.584 0.000 0.642 454 V HN 0.177 nan 8.190 nan 0.000 0.446 455 F N -0.303 119.706 119.950 0.099 0.000 2.802 455 F HA 0.056 4.584 4.527 0.001 0.000 0.300 455 F C 2.263 178.156 175.800 0.156 0.000 1.168 455 F CA 0.914 58.998 58.000 0.140 0.000 1.433 455 F CB -0.325 38.797 39.000 0.204 0.000 1.115 455 F HN 0.185 nan 8.300 nan 0.000 0.582 456 Q N -0.432 119.488 119.800 0.200 0.000 2.394 456 Q HA -0.019 4.321 4.340 0.001 0.000 0.218 456 Q C 0.760 176.762 176.000 0.004 0.000 0.907 456 Q CA 0.876 56.763 55.803 0.141 0.000 0.919 456 Q CB 0.452 29.253 28.738 0.104 0.000 1.051 456 Q HN 0.177 nan 8.270 nan 0.000 0.538 457 D N -1.410 118.939 120.400 -0.085 0.000 2.489 457 D HA 0.070 4.710 4.640 0.001 0.000 0.231 457 D C 0.389 176.372 176.300 -0.529 0.000 1.114 457 D CA 0.310 54.110 54.000 -0.333 0.000 0.842 457 D CB 0.494 40.989 40.800 -0.508 0.000 1.133 457 D HN 0.220 nan 8.370 nan 0.000 0.506 458 Y N 0.081 120.318 120.300 -0.105 0.000 2.678 458 Y HA 0.369 4.919 4.550 0.001 0.000 0.274 458 Y C 0.930 176.776 175.900 -0.090 0.000 1.114 458 Y CA 0.032 58.061 58.100 -0.118 0.000 1.274 458 Y CB 0.992 39.351 38.460 -0.168 0.000 1.438 458 Y HN -0.277 nan 8.280 nan 0.000 0.493 459 L N 0.791 122.053 121.223 0.065 0.000 2.323 459 L HA 0.414 4.755 4.340 0.001 0.000 0.265 459 L C -1.112 175.877 176.870 0.197 0.000 1.012 459 L CA -1.089 53.795 54.840 0.074 0.000 0.820 459 L CB 1.909 43.965 42.059 -0.004 0.000 1.334 459 L HN -0.110 nan 8.230 nan 0.000 0.427 460 L N 0.963 122.311 121.223 0.208 0.000 2.325 460 L HA 0.785 5.125 4.340 0.001 0.000 0.279 460 L C 0.385 177.408 176.870 0.254 0.000 1.054 460 L CA 0.138 55.100 54.840 0.203 0.000 0.804 460 L CB 0.991 43.105 42.059 0.092 0.000 1.200 460 L HN 0.800 nan 8.230 nan 0.000 0.436 461 G N 0.320 109.196 108.800 0.128 0.000 2.606 461 G HA2 0.351 4.312 3.960 0.001 0.000 0.300 461 G HA3 0.351 4.312 3.960 0.001 0.000 0.300 461 G C 0.474 175.234 174.900 -0.232 0.000 1.360 461 G CA 0.329 45.346 45.100 -0.139 0.000 0.783 461 G HN 0.524 nan 8.290 nan 0.000 0.484 462 S N -1.050 114.470 115.700 -0.300 0.000 2.383 462 S HA -0.056 4.414 4.470 0.001 0.000 0.229 462 S C 2.392 176.785 174.600 -0.346 0.000 1.030 462 S CA 2.154 60.198 58.200 -0.260 0.000 1.002 462 S CB -0.644 62.424 63.200 -0.220 0.000 0.829 462 S HN 1.457 nan 8.310 nan 0.000 0.467 463 G N 1.150 109.675 108.800 -0.459 0.000 2.443 463 G HA2 -0.081 3.880 3.960 0.001 0.000 0.219 463 G HA3 -0.081 3.880 3.960 0.001 0.000 0.219 463 G C 1.482 175.976 174.900 -0.676 0.000 1.131 463 G CA 0.815 45.544 45.100 -0.619 0.000 0.775 463 G HN 0.600 nan 8.290 nan 0.000 0.547 464 S N 0.484 116.026 115.700 -0.264 0.000 2.419 464 S HA -0.061 4.409 4.470 0.001 0.000 0.233 464 S C 2.102 176.553 174.600 -0.248 0.000 1.016 464 S CA 0.435 58.561 58.200 -0.123 0.000 0.974 464 S CB -0.135 63.076 63.200 0.019 0.000 0.786 464 S HN 0.167 nan 8.310 nan 0.000 0.492 465 L N 1.153 122.199 121.223 -0.295 0.000 2.187 465 L HA -0.032 4.308 4.340 0.001 0.000 0.213 465 L C 1.800 178.463 176.870 -0.346 0.000 1.100 465 L CA 1.386 56.072 54.840 -0.257 0.000 0.765 465 L CB -0.693 41.226 42.059 -0.234 0.000 0.904 465 L HN 0.310 nan 8.230 nan 0.000 0.437 466 I N -2.678 117.530 120.570 -0.602 0.000 2.685 466 I HA -0.122 4.048 4.170 0.001 0.000 0.251 466 I C 2.295 177.723 176.117 -1.148 0.000 1.102 466 I CA 0.691 61.515 61.300 -0.794 0.000 1.442 466 I CB -1.259 36.111 38.000 -1.049 0.000 1.194 466 I HN 0.130 nan 8.210 nan 0.000 0.448 467 Y N 1.764 121.569 120.300 -0.824 0.000 2.403 467 Y HA -0.111 4.439 4.550 0.001 0.000 0.291 467 Y C 2.087 177.751 175.900 -0.394 0.000 1.143 467 Y CA 0.796 58.423 58.100 -0.788 0.000 1.257 467 Y CB -1.235 37.073 38.460 -0.253 0.000 0.984 467 Y HN 0.369 nan 8.280 nan 0.000 0.550 468 N N -1.057 117.545 118.700 -0.164 0.000 2.804 468 N HA -0.018 4.722 4.740 0.001 0.000 0.233 468 N C 1.257 176.743 175.510 -0.040 0.000 1.020 468 N CA 0.396 53.431 53.050 -0.025 0.000 1.164 468 N CB -0.219 38.268 38.487 -0.000 0.000 1.571 468 N HN -0.021 nan 8.380 nan 0.000 0.551 469 N N 1.799 120.453 118.700 -0.077 0.000 2.005 469 N HA -0.206 4.534 4.740 0.001 0.000 0.199 469 N C 1.646 177.156 175.510 -0.000 0.000 1.054 469 N CA 1.944 54.970 53.050 -0.040 0.000 0.864 469 N CB -0.671 37.780 38.487 -0.059 0.000 1.063 469 N HN 0.287 nan 8.380 nan 0.000 0.428 470 A N 0.189 122.990 122.820 -0.032 0.000 1.940 470 A HA -0.126 4.195 4.320 0.001 0.000 0.219 470 A C 1.840 179.568 177.584 0.241 0.000 1.176 470 A CA 1.259 53.349 52.037 0.088 0.000 0.631 470 A CB -0.821 18.277 19.000 0.164 0.000 0.814 470 A HN 0.236 nan 8.150 nan 0.000 0.446 471 F N -0.322 119.638 119.950 0.016 0.000 2.234 471 F HA -0.018 4.509 4.527 0.001 0.000 0.299 471 F C 2.138 177.940 175.800 0.004 0.000 1.087 471 F CA 0.143 58.147 58.000 0.007 0.000 1.340 471 F CB -0.892 38.100 39.000 -0.012 0.000 1.031 471 F HN 0.144 nan 8.300 nan 0.000 0.500 472 I N -0.288 120.389 120.570 0.179 0.000 2.286 472 I HA -0.233 3.938 4.170 0.001 0.000 0.245 472 I C 2.583 178.743 176.117 0.072 0.000 1.104 472 I CA 1.115 62.465 61.300 0.083 0.000 1.397 472 I CB -0.631 37.402 38.000 0.055 0.000 1.072 472 I HN 0.010 nan 8.210 nan 0.000 0.417 473 A N 0.514 123.386 122.820 0.087 0.000 1.933 473 A HA -0.248 4.073 4.320 0.001 0.000 0.218 473 A C 2.216 179.842 177.584 0.070 0.000 1.175 473 A CA 1.412 53.486 52.037 0.061 0.000 0.628 473 A CB -0.894 18.138 19.000 0.054 0.000 0.814 473 A HN 0.430 nan 8.150 nan 0.000 0.444 474 F N 0.938 120.853 119.950 -0.059 0.000 2.113 474 F HA -0.023 4.504 4.527 0.001 0.000 0.297 474 F C 2.541 178.299 175.800 -0.070 0.000 1.103 474 F CA 1.147 59.087 58.000 -0.100 0.000 1.248 474 F CB -0.540 38.377 39.000 -0.138 0.000 0.999 474 F HN 0.234 nan 8.300 nan 0.000 0.475 475 A N -0.934 121.880 122.820 -0.011 0.000 1.972 475 A HA -0.153 4.168 4.320 0.001 0.000 0.219 475 A C 2.144 179.654 177.584 -0.123 0.000 1.169 475 A CA 2.266 54.234 52.037 -0.115 0.000 0.635 475 A CB -1.259 17.702 19.000 -0.067 0.000 0.810 475 A HN 0.463 nan 8.150 nan 0.000 0.446 476 T N -0.577 113.931 114.554 -0.076 0.000 2.901 476 T HA -0.013 4.338 4.350 0.001 0.000 0.252 476 T C 1.015 175.667 174.700 -0.079 0.000 1.035 476 T CA 1.264 63.328 62.100 -0.059 0.000 1.142 476 T CB -0.111 68.744 68.868 -0.021 0.000 0.869 476 T HN 0.493 nan 8.240 nan 0.000 0.442 477 D N 0.323 120.669 120.400 -0.089 0.000 2.433 477 D HA 0.287 4.928 4.640 0.001 0.000 0.211 477 D C 0.779 177.001 176.300 -0.130 0.000 1.114 477 D CA 0.022 53.973 54.000 -0.081 0.000 0.837 477 D CB 0.646 41.425 40.800 -0.035 0.000 0.984 477 D HN 0.208 nan 8.370 nan 0.000 0.505 478 L N 0.975 122.030 121.223 -0.280 0.000 4.291 478 L HA -0.209 4.132 4.340 0.001 0.000 0.413 478 L C -0.564 176.230 176.870 -0.126 0.000 1.162 478 L CA 0.572 55.130 54.840 -0.470 0.000 0.961 478 L CB -1.225 40.655 42.059 -0.298 0.000 2.095 478 L HN 0.064 nan 8.230 nan 0.000 0.838 479 D N -0.674 119.723 120.400 -0.004 0.000 2.613 479 D HA 0.287 4.927 4.640 0.001 0.000 0.230 479 D C -1.686 174.593 176.300 -0.035 0.000 1.365 479 D CA -1.316 52.704 54.000 0.033 0.000 0.976 479 D CB 1.839 42.667 40.800 0.047 0.000 1.415 479 D HN -0.208 nan 8.370 nan 0.000 0.589 480 P HA -0.080 nan 4.420 nan 0.000 0.222 480 P C 0.719 177.992 177.300 -0.045 0.000 1.147 480 P CA 0.477 63.470 63.100 -0.178 0.000 0.790 480 P CB 0.514 31.870 31.700 -0.573 0.000 0.780 481 N N -0.043 118.627 118.700 -0.051 0.000 2.520 481 N HA -0.058 4.682 4.740 0.001 0.000 0.185 481 N C 1.514 177.048 175.510 0.040 0.000 1.068 481 N CA 1.519 54.595 53.050 0.043 0.000 0.911 481 N CB -0.643 37.889 38.487 0.076 0.000 0.961 481 N HN 0.341 nan 8.380 nan 0.000 0.446 482 T N -2.257 112.312 114.554 0.024 0.000 3.113 482 T HA 0.151 4.502 4.350 0.001 0.000 0.263 482 T C 1.846 176.561 174.700 0.025 0.000 1.143 482 T CA 0.605 62.719 62.100 0.024 0.000 1.090 482 T CB -0.017 68.861 68.868 0.016 0.000 0.922 482 T HN 0.108 nan 8.240 nan 0.000 0.521 483 A N 1.491 124.329 122.820 0.031 0.000 2.121 483 A HA 0.460 4.781 4.320 0.001 0.000 0.218 483 A C 2.039 179.635 177.584 0.020 0.000 1.154 483 A CA 0.697 52.750 52.037 0.026 0.000 0.679 483 A CB -1.292 17.727 19.000 0.032 0.000 0.795 483 A HN 1.438 nan 8.150 nan 0.000 0.458 484 G N -0.922 107.893 108.800 0.026 0.000 2.256 484 G HA2 -0.195 3.765 3.960 0.001 0.000 0.272 484 G HA3 -0.195 3.765 3.960 0.001 0.000 0.272 484 G C -0.063 174.846 174.900 0.015 0.000 1.076 484 G CA 0.316 45.429 45.100 0.021 0.000 0.882 484 G HN 0.467 nan 8.290 nan 0.000 0.497 485 L N -0.497 120.739 121.223 0.022 0.000 2.456 485 L HA 0.346 4.686 4.340 0.001 0.000 0.257 485 L C 1.830 178.708 176.870 0.013 0.000 1.162 485 L CA -1.262 53.582 54.840 0.007 0.000 0.808 485 L CB 0.513 42.577 42.059 0.007 0.000 1.136 485 L HN 0.015 nan 8.230 nan 0.000 0.466 486 L N 1.566 122.789 121.223 0.000 0.000 2.313 486 L HA 0.079 4.420 4.340 0.001 0.000 0.214 486 L C 0.415 177.295 176.870 0.016 0.000 1.119 486 L CA 0.912 55.756 54.840 0.007 0.000 0.809 486 L CB 0.084 42.143 42.059 -0.001 0.000 0.933 486 L HN 0.279 nan 8.230 nan 0.000 0.449 487 V N 0.952 120.872 119.914 0.010 0.000 2.394 487 V HA 0.200 4.320 4.120 0.001 0.000 0.282 487 V C 0.546 176.671 176.094 0.051 0.000 1.031 487 V CA -0.973 61.338 62.300 0.018 0.000 0.881 487 V CB 1.763 33.577 31.823 -0.014 0.000 0.982 487 V HN 0.130 nan 8.190 nan 0.000 0.451 488 K N 4.198 124.648 120.400 0.082 0.000 2.298 488 K HA 0.083 4.403 4.320 0.001 0.000 0.280 488 K C -0.749 175.983 176.600 0.221 0.000 1.032 488 K CA -0.527 55.846 56.287 0.143 0.000 0.958 488 K CB 0.597 33.173 32.500 0.128 0.000 0.978 488 K HN 0.701 nan 8.250 nan 0.000 0.472 489 W N 8.090 129.434 121.300 0.073 0.000 2.342 489 W HA 0.233 4.894 4.660 0.001 0.000 0.310 489 W C -2.374 174.279 176.519 0.223 0.000 1.128 489 W CA -2.792 54.627 57.345 0.124 0.000 1.322 489 W CB 0.563 30.070 29.460 0.079 0.000 1.251 489 W HN 0.475 nan 8.180 nan 0.000 0.439 490 P HA 0.063 nan 4.420 nan 0.000 0.279 490 P C -0.504 177.026 177.300 0.383 0.000 1.239 490 P CA -0.052 63.279 63.100 0.386 0.000 0.789 490 P CB 1.402 33.242 31.700 0.234 0.000 0.933 491 E N 2.805 123.101 120.200 0.160 0.000 2.392 491 E HA -0.022 4.329 4.350 0.001 0.000 0.264 491 E C -1.348 175.274 176.600 0.038 0.000 1.024 491 E CA -0.293 56.057 56.400 -0.083 0.000 0.903 491 E CB 0.196 29.809 29.700 -0.146 0.000 0.963 491 E HN 0.353 nan 8.360 nan 0.000 0.432 492 Y N 3.719 123.957 120.300 -0.105 0.000 2.320 492 Y HA 0.237 4.787 4.550 0.001 0.000 0.334 492 Y C 0.847 176.701 175.900 -0.077 0.000 1.055 492 Y CA 0.304 58.384 58.100 -0.033 0.000 1.143 492 Y CB 1.558 40.026 38.460 0.013 0.000 1.193 492 Y HN 0.775 nan 8.280 nan 0.000 0.477 493 T N -0.080 114.454 114.554 -0.034 0.000 3.058 493 T HA 0.315 4.666 4.350 0.001 0.000 0.247 493 T C 0.265 174.974 174.700 0.014 0.000 0.987 493 T CA 0.481 62.584 62.100 0.004 0.000 1.062 493 T CB -0.080 68.747 68.868 -0.069 0.000 1.048 493 T HN 0.480 nan 8.240 nan 0.000 0.468 494 S N -0.091 115.496 115.700 -0.188 0.000 2.565 494 S HA 0.482 4.952 4.470 0.001 0.000 0.269 494 S C 0.698 175.113 174.600 -0.308 0.000 1.153 494 S CA 0.121 58.250 58.200 -0.118 0.000 0.835 494 S CB 1.499 64.622 63.200 -0.127 0.000 1.122 494 S HN 0.487 nan 8.310 nan 0.000 0.462 495 S N 1.618 117.241 115.700 -0.129 0.000 2.481 495 S HA 0.038 4.508 4.470 0.001 0.000 0.231 495 S C 1.071 175.545 174.600 -0.211 0.000 0.996 495 S CA 1.010 59.105 58.200 -0.176 0.000 0.942 495 S CB -0.257 62.857 63.200 -0.145 0.000 0.768 495 S HN 0.529 nan 8.310 nan 0.000 0.520 496 S N 1.675 117.264 115.700 -0.185 0.000 2.577 496 S HA 0.144 4.614 4.470 0.001 0.000 0.219 496 S C 0.659 175.173 174.600 -0.143 0.000 0.962 496 S CA -0.566 57.544 58.200 -0.150 0.000 0.921 496 S CB -0.146 62.980 63.200 -0.124 0.000 0.789 496 S HN 0.848 nan 8.310 nan 0.000 0.497 497 Q N 1.440 121.129 119.800 -0.185 0.000 2.454 497 Q HA 0.312 4.653 4.340 0.001 0.000 0.247 497 Q C -0.091 175.829 176.000 -0.133 0.000 1.028 497 Q CA -0.071 55.634 55.803 -0.164 0.000 0.910 497 Q CB 0.446 29.055 28.738 -0.214 0.000 1.276 497 Q HN 0.096 nan 8.270 nan 0.000 0.489 498 S N 1.348 116.989 115.700 -0.097 0.000 2.523 498 S HA 0.578 5.048 4.470 0.001 0.000 0.275 498 S C 0.025 174.586 174.600 -0.066 0.000 1.281 498 S CA 0.646 58.804 58.200 -0.070 0.000 1.050 498 S CB -0.321 62.848 63.200 -0.051 0.000 0.937 498 S HN 1.210 nan 8.310 nan 0.000 0.492 499 G N 4.355 113.124 108.800 -0.052 0.000 2.699 499 G HA2 -0.186 3.774 3.960 0.001 0.000 0.686 499 G HA3 -0.186 3.774 3.960 0.001 0.000 0.686 499 G C -0.738 174.136 174.900 -0.044 0.000 1.301 499 G CA -0.813 44.265 45.100 -0.036 0.000 0.816 499 G HN 0.909 nan 8.290 nan 0.000 0.595 500 N N 0.927 119.619 118.700 -0.013 0.000 2.412 500 N HA 0.201 4.942 4.740 0.001 0.000 0.258 500 N C 0.964 176.469 175.510 -0.007 0.000 1.236 500 N CA 0.639 53.689 53.050 -0.001 0.000 0.882 500 N CB 0.323 38.825 38.487 0.026 0.000 1.066 500 N HN 0.723 nan 8.380 nan 0.000 0.465 501 N N 2.369 121.059 118.700 -0.018 0.000 2.143 501 N HA 0.125 4.866 4.740 0.001 0.000 0.222 501 N C -0.926 174.710 175.510 0.210 0.000 1.264 501 N CA 0.027 53.073 53.050 -0.006 0.000 0.897 501 N CB 0.621 38.883 38.487 -0.375 0.000 1.092 501 N HN 0.319 nan 8.380 nan 0.000 0.516 502 L N 0.975 122.290 121.223 0.153 0.000 2.362 502 L HA 0.513 4.854 4.340 0.001 0.000 0.275 502 L C -0.668 176.165 176.870 -0.061 0.000 0.998 502 L CA -1.062 53.873 54.840 0.158 0.000 0.820 502 L CB 2.094 44.240 42.059 0.144 0.000 1.270 502 L HN 0.019 nan 8.230 nan 0.000 0.415 503 M N 4.345 123.794 119.600 -0.251 0.000 2.211 503 M HA 0.451 4.931 4.480 0.001 0.000 0.356 503 M C -0.877 175.169 176.300 -0.424 0.000 1.216 503 M CA 0.792 55.711 55.300 -0.635 0.000 1.134 503 M CB 0.695 32.323 32.600 -1.620 0.000 1.564 503 M HN 0.473 nan 8.290 nan 0.000 0.463 504 M N 5.632 124.909 119.600 -0.538 0.000 2.591 504 M HA 0.584 5.065 4.480 0.001 0.000 0.306 504 M C -1.308 174.676 176.300 -0.526 0.000 1.190 504 M CA -0.556 54.385 55.300 -0.599 0.000 0.889 504 M CB 2.188 34.156 32.600 -1.053 0.000 1.728 504 M HN 0.596 nan 8.290 nan 0.000 0.458 505 I N 2.257 122.665 120.570 -0.271 0.000 2.498 505 I HA 0.434 4.604 4.170 0.001 0.000 0.290 505 I C -0.806 175.337 176.117 0.044 0.000 1.032 505 I CA -0.791 60.433 61.300 -0.127 0.000 1.073 505 I CB 1.850 39.731 38.000 -0.199 0.000 1.251 505 I HN 0.730 nan 8.210 nan 0.000 0.426 506 N N 4.407 123.172 118.700 0.108 0.000 2.966 506 N HA 0.530 5.270 4.740 0.001 0.000 0.314 506 N C 0.518 176.015 175.510 -0.022 0.000 1.397 506 N CA -0.611 52.493 53.050 0.090 0.000 0.776 506 N CB 0.884 39.447 38.487 0.126 0.000 1.576 506 N HN 0.499 nan 8.380 nan 0.000 0.592 507 A N -0.529 122.272 122.820 -0.032 0.000 1.978 507 A HA -0.048 4.272 4.320 0.001 0.000 0.220 507 A C 1.660 179.200 177.584 -0.072 0.000 1.170 507 A CA 1.184 53.181 52.037 -0.067 0.000 0.636 507 A CB -0.737 18.241 19.000 -0.036 0.000 0.810 507 A HN 0.513 nan 8.150 nan 0.000 0.448 508 L N -2.331 118.861 121.223 -0.052 0.000 2.209 508 L HA 0.241 4.581 4.340 0.001 0.000 0.207 508 L C 1.516 178.353 176.870 -0.055 0.000 1.094 508 L CA 1.655 56.464 54.840 -0.051 0.000 0.790 508 L CB -1.808 40.222 42.059 -0.048 0.000 0.932 508 L HN 0.572 nan 8.230 nan 0.000 0.447 509 G N -1.362 107.411 108.800 -0.045 0.000 2.566 509 G HA2 0.253 4.213 3.960 0.001 0.000 0.138 509 G HA3 0.253 4.213 3.960 0.001 0.000 0.138 509 G C -1.390 173.501 174.900 -0.016 0.000 1.133 509 G CA -0.680 44.387 45.100 -0.055 0.000 1.037 509 G HN -0.036 nan 8.290 nan 0.000 0.491 510 L N 0.585 121.800 121.223 -0.013 0.000 2.322 510 L HA 0.906 5.247 4.340 0.001 0.000 0.269 510 L C -0.231 176.722 176.870 0.138 0.000 1.012 510 L CA -1.111 53.716 54.840 -0.021 0.000 0.815 510 L CB 1.849 43.828 42.059 -0.132 0.000 1.295 510 L HN 0.918 nan 8.230 nan 0.000 0.438 511 Y N -1.219 119.013 120.300 -0.113 0.000 2.741 511 Y HA 0.637 5.187 4.550 0.001 0.000 0.339 511 Y C -0.825 175.027 175.900 -0.079 0.000 1.226 511 Y CA -1.290 56.764 58.100 -0.075 0.000 1.072 511 Y CB 0.919 39.348 38.460 -0.052 0.000 1.331 511 Y HN 0.595 nan 8.280 nan 0.000 0.453 512 T N -0.704 113.840 114.554 -0.017 0.000 2.940 512 T HA 0.952 5.303 4.350 0.001 0.000 0.288 512 T C -0.087 174.599 174.700 -0.024 0.000 1.033 512 T CA -0.163 61.873 62.100 -0.107 0.000 1.033 512 T CB 1.639 70.494 68.868 -0.022 0.000 1.079 512 T HN 1.639 nan 8.240 nan 0.000 0.496 513 G N 0.523 109.300 108.800 -0.039 0.000 2.782 513 G HA2 0.642 4.603 3.960 0.001 0.000 0.304 513 G HA3 0.642 4.603 3.960 0.001 0.000 0.304 513 G C -1.766 173.165 174.900 0.053 0.000 1.315 513 G CA -1.146 43.980 45.100 0.042 0.000 0.791 513 G HN 0.795 nan 8.290 nan 0.000 0.519 514 K N -0.194 120.256 120.400 0.083 0.000 2.203 514 K HA 0.403 4.724 4.320 0.001 0.000 0.251 514 K C -1.320 175.333 176.600 0.087 0.000 0.944 514 K CA -0.688 55.629 56.287 0.049 0.000 0.829 514 K CB 2.426 34.937 32.500 0.018 0.000 1.125 514 K HN 0.347 nan 8.250 nan 0.000 0.430 515 D N 2.108 122.503 120.400 -0.008 0.000 2.943 515 D HA 0.042 4.682 4.640 0.001 0.000 0.249 515 D C -0.307 175.781 176.300 -0.353 0.000 1.231 515 D CA -0.143 53.774 54.000 -0.139 0.000 0.979 515 D CB -0.181 40.668 40.800 0.082 0.000 1.053 515 D HN 0.499 nan 8.370 nan 0.000 0.504 516 N N 0.734 119.244 118.700 -0.315 0.000 2.238 516 N HA 0.067 4.807 4.740 0.001 0.000 0.235 516 N C -0.294 175.084 175.510 -0.219 0.000 1.209 516 N CA -0.575 52.319 53.050 -0.259 0.000 0.879 516 N CB -0.793 37.626 38.487 -0.114 0.000 1.136 516 N HN 0.086 nan 8.380 nan 0.000 0.517 517 F N 0.171 120.105 119.950 -0.027 0.000 2.382 517 F HA 0.558 5.085 4.527 0.001 0.000 0.331 517 F C 1.091 176.869 175.800 -0.038 0.000 1.121 517 F CA -1.258 56.713 58.000 -0.048 0.000 1.183 517 F CB 0.583 39.532 39.000 -0.086 0.000 1.207 517 F HN -0.115 nan 8.300 nan 0.000 0.555 518 R N -0.221 120.365 120.500 0.144 0.000 3.251 518 R HA -0.193 4.148 4.340 0.001 0.000 0.249 518 R C 0.966 177.291 176.300 0.041 0.000 0.949 518 R CA 0.679 56.818 56.100 0.065 0.000 0.645 518 R CB -2.237 28.140 30.300 0.128 0.000 1.065 518 R HN 1.017 nan 8.270 nan 0.000 0.452 519 T N -3.341 111.214 114.554 0.002 0.000 2.867 519 T HA -0.059 4.292 4.350 0.001 0.000 0.268 519 T C 1.989 176.733 174.700 0.073 0.000 1.057 519 T CA 0.871 62.984 62.100 0.021 0.000 1.136 519 T CB 0.042 68.894 68.868 -0.028 0.000 0.874 519 T HN 0.500 nan 8.240 nan 0.000 0.466 520 A N 1.717 124.537 122.820 0.001 0.000 1.930 520 A HA 0.284 4.605 4.320 0.001 0.000 0.217 520 A C 2.665 180.214 177.584 -0.058 0.000 1.175 520 A CA 1.490 53.509 52.037 -0.030 0.000 0.627 520 A CB -1.464 17.489 19.000 -0.078 0.000 0.815 520 A HN 0.601 nan 8.150 nan 0.000 0.443 521 G N -1.957 106.775 108.800 -0.113 0.000 2.403 521 G HA2 -0.195 3.765 3.960 0.001 0.000 0.216 521 G HA3 -0.195 3.765 3.960 0.001 0.000 0.216 521 G C 1.507 176.443 174.900 0.061 0.000 1.154 521 G CA 1.066 46.117 45.100 -0.081 0.000 0.784 521 G HN 0.562 nan 8.290 nan 0.000 0.538 522 Y N 1.763 122.093 120.300 0.049 0.000 2.128 522 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 522 Y C 2.376 178.343 175.900 0.111 0.000 1.154 522 Y CA 2.203 60.410 58.100 0.179 0.000 1.149 522 Y CB 0.061 38.659 38.460 0.231 0.000 0.976 522 Y HN 0.184 nan 8.280 nan 0.000 0.505 523 D N -0.185 120.340 120.400 0.209 0.000 2.183 523 D HA -0.095 4.546 4.640 0.001 0.000 0.203 523 D C 2.220 178.492 176.300 -0.046 0.000 0.969 523 D CA 1.125 55.187 54.000 0.104 0.000 0.842 523 D CB -0.299 40.590 40.800 0.148 0.000 0.957 523 D HN 0.502 nan 8.370 nan 0.000 0.484 524 A N 0.805 123.565 122.820 -0.099 0.000 1.902 524 A HA -0.137 4.184 4.320 0.001 0.000 0.217 524 A C 2.090 179.473 177.584 -0.336 0.000 1.181 524 A CA 0.948 52.895 52.037 -0.149 0.000 0.623 524 A CB -0.358 18.567 19.000 -0.124 0.000 0.818 524 A HN 0.109 nan 8.150 nan 0.000 0.443 525 L N -2.033 118.819 121.223 -0.618 0.000 2.068 525 L HA 0.127 4.468 4.340 0.001 0.000 0.204 525 L C 1.477 177.777 176.870 -0.950 0.000 1.076 525 L CA 1.631 55.784 54.840 -1.145 0.000 0.753 525 L CB -1.114 39.946 42.059 -1.666 0.000 0.910 525 L HN 0.429 nan 8.230 nan 0.000 0.439 526 F N -1.735 118.021 119.950 -0.323 0.000 2.664 526 F HA 0.222 4.750 4.527 0.001 0.000 0.303 526 F C 2.227 177.954 175.800 -0.123 0.000 1.092 526 F CA -0.146 57.665 58.000 -0.314 0.000 1.305 526 F CB -0.991 37.741 39.000 -0.446 0.000 1.054 526 F HN -0.115 nan 8.300 nan 0.000 0.565 527 S N -0.159 115.553 115.700 0.021 0.000 2.382 527 S HA -0.157 4.313 4.470 0.001 0.000 0.228 527 S C 1.036 175.654 174.600 0.030 0.000 1.027 527 S CA 1.073 59.310 58.200 0.062 0.000 0.991 527 S CB -0.237 62.982 63.200 0.033 0.000 0.823 527 S HN 0.450 nan 8.310 nan 0.000 0.469 528 N N 0.093 118.770 118.700 -0.038 0.000 2.675 528 N HA 0.191 4.932 4.740 0.001 0.000 0.254 528 N C -2.837 172.540 175.510 -0.220 0.000 1.224 528 N CA -1.476 51.505 53.050 -0.114 0.000 0.777 528 N CB 1.360 39.767 38.487 -0.132 0.000 1.256 528 N HN -0.108 nan 8.380 nan 0.000 0.531 529 P HA -0.135 nan 4.420 nan 0.000 0.216 529 P C -1.578 175.203 177.300 -0.864 0.000 1.157 529 P CA 1.425 64.227 63.100 -0.497 0.000 0.880 529 P CB -0.530 30.741 31.700 -0.714 0.000 0.791 530 P HA -0.060 nan 4.420 nan 0.000 0.228 530 P C 1.018 177.804 177.300 -0.857 0.000 1.151 530 P CA 1.314 63.439 63.100 -1.625 0.000 0.770 530 P CB -0.431 30.609 31.700 -1.101 0.000 0.786 531 S N -0.988 114.349 115.700 -0.606 0.000 2.474 531 S HA -0.000 4.470 4.470 0.001 0.000 0.235 531 S C 0.861 174.968 174.600 -0.820 0.000 0.997 531 S CA 0.845 58.682 58.200 -0.607 0.000 0.949 531 S CB -0.640 62.145 63.200 -0.691 0.000 0.766 531 S HN 0.185 nan 8.310 nan 0.000 0.517 532 F N 0.356 120.114 119.950 -0.320 0.000 2.708 532 F HA 0.425 4.953 4.527 0.001 0.000 0.300 532 F C -0.037 175.846 175.800 0.139 0.000 1.118 532 F CA -0.882 56.926 58.000 -0.319 0.000 1.307 532 F CB 0.189 38.754 39.000 -0.724 0.000 0.986 532 F HN 0.005 nan 8.300 nan 0.000 0.522 533 F N 0.768 120.770 119.950 0.088 0.000 2.380 533 F HA 0.487 5.014 4.527 0.001 0.000 0.325 533 F C 0.700 176.624 175.800 0.206 0.000 1.136 533 F CA -1.765 56.307 58.000 0.120 0.000 1.171 533 F CB 0.747 39.768 39.000 0.036 0.000 1.230 533 F HN -0.220 nan 8.300 nan 0.000 0.554 534 V N 0.000 120.076 119.914 0.270 0.000 2.409 534 V HA 0.000 4.120 4.120 0.001 0.000 0.244 534 V CA 0.000 62.376 62.300 0.126 0.000 1.235 534 V CB 0.000 31.846 31.823 0.038 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556