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 1lps_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 0.000 177.605 177.584 0.035 0.000 1.274 1 A CA 0.000 52.043 52.037 0.010 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 2 P HA 0.424 nan 4.420 nan 0.000 0.264 2 P C -0.505 176.947 177.300 0.254 0.000 1.193 2 P CA 1.155 64.306 63.100 0.085 0.000 0.763 2 P CB 0.915 32.541 31.700 -0.123 0.000 0.810 3 T N 1.447 116.206 114.554 0.342 0.000 2.903 3 T HA 0.773 5.123 4.350 0.000 0.000 0.299 3 T C -1.250 173.527 174.700 0.127 0.000 1.093 3 T CA -0.395 61.887 62.100 0.303 0.000 1.002 3 T CB 1.644 70.599 68.868 0.144 0.000 1.127 3 T HN 0.366 nan 8.240 nan 0.000 0.488 4 A N 1.482 124.262 122.820 -0.068 0.000 2.517 4 A HA 0.699 5.019 4.320 0.000 0.000 0.297 4 A C -0.614 176.786 177.584 -0.307 0.000 1.050 4 A CA -0.726 51.052 52.037 -0.433 0.000 0.694 4 A CB 1.499 19.744 19.000 -1.258 0.000 1.277 4 A HN 0.633 nan 8.150 nan 0.000 0.400 5 T N 3.773 118.161 114.554 -0.277 0.000 2.770 5 T HA 0.485 4.836 4.350 0.000 0.000 0.297 5 T C 0.510 175.082 174.700 -0.214 0.000 0.997 5 T CA -0.192 61.806 62.100 -0.169 0.000 0.949 5 T CB -0.030 68.775 68.868 -0.105 0.000 0.941 5 T HN 0.481 nan 8.240 nan 0.000 0.457 6 L N 1.674 122.796 121.223 -0.167 0.000 2.456 6 L HA 0.288 4.628 4.340 0.000 0.000 0.246 6 L C 2.017 178.810 176.870 -0.128 0.000 1.238 6 L CA -0.674 54.068 54.840 -0.164 0.000 0.826 6 L CB -0.032 41.984 42.059 -0.073 0.000 1.150 6 L HN 0.666 nan 8.230 nan 0.000 0.514 7 A N 0.849 123.581 122.820 -0.147 0.000 2.248 7 A HA -0.112 4.208 4.320 0.000 0.000 0.210 7 A C 1.158 178.708 177.584 -0.057 0.000 1.174 7 A CA 1.313 53.285 52.037 -0.110 0.000 0.750 7 A CB -0.940 17.978 19.000 -0.136 0.000 0.780 7 A HN 0.870 nan 8.150 nan 0.000 0.478 8 N N -2.416 116.265 118.700 -0.032 0.000 2.197 8 N HA 0.261 5.002 4.740 0.000 0.000 0.228 8 N C 0.809 176.322 175.510 0.005 0.000 1.212 8 N CA 0.718 53.768 53.050 -0.000 0.000 0.883 8 N CB -0.151 38.355 38.487 0.031 0.000 1.107 8 N HN 0.587 nan 8.380 nan 0.000 0.519 9 G N 0.089 108.883 108.800 -0.011 0.000 2.176 9 G HA2 -0.242 3.718 3.960 0.000 0.000 0.253 9 G HA3 -0.242 3.718 3.960 0.000 0.000 0.253 9 G C -0.856 174.052 174.900 0.012 0.000 0.979 9 G CA 0.211 45.309 45.100 -0.004 0.000 0.641 9 G HN 0.462 nan 8.290 nan 0.000 0.530 10 D N 1.076 121.494 120.400 0.030 0.000 2.304 10 D HA 0.533 5.173 4.640 0.000 0.000 0.250 10 D C 0.278 176.607 176.300 0.047 0.000 1.107 10 D CA 0.510 54.548 54.000 0.064 0.000 0.885 10 D CB 1.246 42.116 40.800 0.117 0.000 1.192 10 D HN 0.051 nan 8.370 nan 0.000 0.436 11 T N 2.209 116.803 114.554 0.067 0.000 2.770 11 T HA 0.529 4.879 4.350 0.000 0.000 0.283 11 T C 0.428 175.213 174.700 0.142 0.000 0.988 11 T CA -0.653 61.483 62.100 0.061 0.000 0.957 11 T CB 0.273 69.168 68.868 0.045 0.000 0.930 11 T HN 0.283 nan 8.240 nan 0.000 0.443 12 I N 0.203 120.885 120.570 0.186 0.000 2.750 12 I HA 0.801 4.971 4.170 0.000 0.000 0.308 12 I C -0.369 175.993 176.117 0.410 0.000 1.016 12 I CA -0.736 60.788 61.300 0.373 0.000 1.098 12 I CB 2.124 40.448 38.000 0.540 0.000 1.279 12 I HN 0.302 nan 8.210 nan 0.000 0.454 13 T N 2.892 117.702 114.554 0.428 0.000 2.855 13 T HA 0.682 5.033 4.350 0.000 0.000 0.281 13 T C 0.169 175.052 174.700 0.305 0.000 1.007 13 T CA -0.437 61.861 62.100 0.329 0.000 1.009 13 T CB 1.676 70.630 68.868 0.143 0.000 0.983 13 T HN 0.980 nan 8.240 nan 0.000 0.455 14 G N 0.933 109.698 108.800 -0.057 0.000 2.990 14 G HA2 0.717 4.677 3.960 0.000 0.000 0.208 14 G HA3 0.717 4.677 3.960 0.000 0.000 0.208 14 G C -1.450 173.234 174.900 -0.359 0.000 1.334 14 G CA -0.590 44.166 45.100 -0.574 0.000 1.024 14 G HN 0.639 nan 8.290 nan 0.000 0.574 15 L N -0.320 120.664 121.223 -0.398 0.000 2.342 15 L HA 0.650 4.990 4.340 0.000 0.000 0.271 15 L C -0.846 175.906 176.870 -0.196 0.000 1.008 15 L CA -0.954 53.755 54.840 -0.217 0.000 0.818 15 L CB 2.104 44.067 42.059 -0.159 0.000 1.296 15 L HN 0.461 nan 8.230 nan 0.000 0.427 16 N N 3.113 121.744 118.700 -0.115 0.000 2.469 16 N HA 0.473 5.213 4.740 0.000 0.000 0.253 16 N C -0.275 175.202 175.510 -0.055 0.000 0.970 16 N CA 0.074 53.079 53.050 -0.075 0.000 0.940 16 N CB 1.679 40.138 38.487 -0.046 0.000 1.128 16 N HN 0.736 nan 8.380 nan 0.000 0.503 17 A N 4.335 127.126 122.820 -0.048 0.000 2.415 17 A HA 0.277 4.597 4.320 0.000 0.000 0.248 17 A C 1.282 178.855 177.584 -0.019 0.000 1.299 17 A CA -0.229 51.788 52.037 -0.033 0.000 0.899 17 A CB -0.605 18.375 19.000 -0.034 0.000 0.997 17 A HN 0.710 nan 8.150 nan 0.000 0.506 18 I N -1.648 118.913 120.570 -0.015 0.000 4.713 18 I HA -0.402 3.769 4.170 0.000 0.000 0.044 18 I C 1.812 177.929 176.117 -0.000 0.000 0.627 18 I CA 2.402 63.699 61.300 -0.006 0.000 0.714 18 I CB -1.659 36.337 38.000 -0.006 0.000 0.668 18 I HN 0.599 nan 8.210 nan 0.000 0.156 19 I N 1.087 121.656 120.570 -0.002 0.000 3.291 19 I HA 0.079 4.249 4.170 0.000 0.000 0.279 19 I C 0.753 176.874 176.117 0.008 0.000 1.294 19 I CA 1.311 62.612 61.300 0.003 0.000 1.428 19 I CB -0.429 37.570 38.000 -0.001 0.000 1.070 19 I HN 0.731 nan 8.210 nan 0.000 0.478 20 N N 0.247 118.951 118.700 0.006 0.000 3.185 20 N HA 0.296 5.036 4.740 0.000 0.000 0.238 20 N C -1.604 173.911 175.510 0.008 0.000 1.451 20 N CA -0.833 52.227 53.050 0.018 0.000 0.888 20 N CB 1.456 39.953 38.487 0.016 0.000 1.413 20 N HN 0.084 nan 8.380 nan 0.000 0.511 21 E N -0.003 120.217 120.200 0.032 0.000 2.187 21 E HA 0.679 5.029 4.350 0.000 0.000 0.268 21 E C -1.151 175.448 176.600 -0.002 0.000 0.896 21 E CA -0.861 55.536 56.400 -0.004 0.000 0.766 21 E CB 2.116 31.854 29.700 0.063 0.000 1.142 21 E HN 0.652 nan 8.360 nan 0.000 0.408 22 A N 2.832 125.559 122.820 -0.156 0.000 2.435 22 A HA 0.744 5.064 4.320 0.000 0.000 0.304 22 A C -1.527 175.871 177.584 -0.309 0.000 1.064 22 A CA -0.647 51.328 52.037 -0.103 0.000 0.727 22 A CB 0.753 19.698 19.000 -0.091 0.000 1.284 22 A HN 0.515 nan 8.150 nan 0.000 0.415 23 F N 1.702 121.668 119.950 0.027 0.000 2.513 23 F HA 0.504 5.031 4.527 0.000 0.000 0.358 23 F C -0.326 175.444 175.800 -0.050 0.000 1.118 23 F CA -0.302 57.746 58.000 0.081 0.000 1.037 23 F CB 1.387 40.499 39.000 0.186 0.000 1.276 23 F HN 0.352 nan 8.300 nan 0.000 0.446 24 L N 1.940 123.194 121.223 0.052 0.000 2.325 24 L HA 0.785 5.126 4.340 0.000 0.000 0.278 24 L C 0.939 177.841 176.870 0.053 0.000 1.023 24 L CA -1.077 53.686 54.840 -0.127 0.000 0.811 24 L CB 1.675 43.460 42.059 -0.456 0.000 1.249 24 L HN 0.807 nan 8.230 nan 0.000 0.431 25 G N 2.601 111.413 108.800 0.020 0.000 2.198 25 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 25 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 25 G C -0.124 174.853 174.900 0.128 0.000 1.042 25 G CA -0.349 44.817 45.100 0.111 0.000 0.791 25 G HN 0.485 nan 8.290 nan 0.000 0.502 26 I N 2.316 122.805 120.570 -0.135 0.000 2.379 26 I HA 0.224 4.394 4.170 0.000 0.000 0.290 26 I C -1.389 174.553 176.117 -0.292 0.000 1.063 26 I CA -2.092 58.953 61.300 -0.426 0.000 1.351 26 I CB 0.940 38.574 38.000 -0.610 0.000 1.410 26 I HN -0.025 nan 8.210 nan 0.000 0.505 27 P HA -0.014 nan 4.420 nan 0.000 0.271 27 P C -0.121 176.929 177.300 -0.416 0.000 1.226 27 P CA 0.091 62.931 63.100 -0.434 0.000 0.765 27 P CB 0.412 31.680 31.700 -0.721 0.000 0.835 28 F N 1.748 121.479 119.950 -0.365 0.000 2.682 28 F HA 0.700 5.228 4.527 0.000 0.000 0.308 28 F C 0.118 175.941 175.800 0.038 0.000 1.093 28 F CA -0.704 57.153 58.000 -0.237 0.000 1.244 28 F CB 0.258 38.963 39.000 -0.491 0.000 1.052 28 F HN 0.333 nan 8.300 nan 0.000 0.573 29 A N 0.092 122.682 122.820 -0.383 0.000 2.587 29 A HA 0.567 4.888 4.320 0.000 0.000 0.293 29 A C -0.959 176.639 177.584 0.023 0.000 1.087 29 A CA -0.821 51.120 52.037 -0.159 0.000 0.692 29 A CB 0.993 19.735 19.000 -0.430 0.000 1.291 29 A HN 0.075 nan 8.150 nan 0.000 0.407 30 E N 2.123 122.388 120.200 0.109 0.000 2.360 30 E HA 0.257 4.607 4.350 0.000 0.000 0.269 30 E C -2.248 174.362 176.600 0.016 0.000 1.022 30 E CA -1.511 54.962 56.400 0.122 0.000 0.887 30 E CB 0.309 30.044 29.700 0.058 0.000 0.990 30 E HN 0.335 nan 8.360 nan 0.000 0.426 31 P HA -0.033 nan 4.420 nan 0.000 0.256 31 P C -2.199 175.082 177.300 -0.032 0.000 1.173 31 P CA -0.787 62.296 63.100 -0.028 0.000 0.768 31 P CB -0.310 31.385 31.700 -0.008 0.000 0.758 32 P HA -0.010 nan 4.420 nan 0.000 0.249 32 P C 0.164 177.430 177.300 -0.056 0.000 1.686 32 P CA 0.132 63.206 63.100 -0.044 0.000 0.873 32 P CB -0.240 31.436 31.700 -0.040 0.000 1.828 33 V N -3.581 116.305 119.914 -0.047 0.000 2.966 33 V HA 0.876 4.996 4.120 0.000 0.000 0.317 33 V C 0.968 177.035 176.094 -0.044 0.000 1.070 33 V CA 0.136 62.407 62.300 -0.048 0.000 1.008 33 V CB 0.697 32.500 31.823 -0.033 0.000 1.070 33 V HN 0.505 nan 8.190 nan 0.000 0.457 34 G N 2.252 111.025 108.800 -0.044 0.000 2.561 34 G HA2 -0.336 3.624 3.960 0.000 0.000 0.289 34 G HA3 -0.336 3.624 3.960 0.000 0.000 0.289 34 G C 0.621 175.496 174.900 -0.042 0.000 1.169 34 G CA 0.725 45.806 45.100 -0.031 0.000 0.980 34 G HN 0.990 nan 8.290 nan 0.000 0.550 35 N N 0.754 119.445 118.700 -0.016 0.000 2.550 35 N HA 0.063 4.803 4.740 0.000 0.000 0.186 35 N C 2.131 177.638 175.510 -0.005 0.000 1.110 35 N CA 0.688 53.737 53.050 -0.001 0.000 0.912 35 N CB -0.033 38.464 38.487 0.016 0.000 0.968 35 N HN 0.462 nan 8.380 nan 0.000 0.448 36 L N 0.290 121.499 121.223 -0.023 0.000 2.554 36 L HA 0.079 4.420 4.340 0.000 0.000 0.226 36 L C 0.943 177.783 176.870 -0.050 0.000 1.137 36 L CA 0.075 54.904 54.840 -0.017 0.000 0.863 36 L CB 0.039 42.090 42.059 -0.012 0.000 0.985 36 L HN -0.017 nan 8.230 nan 0.000 0.451 37 R N -0.058 120.357 120.500 -0.141 0.000 2.697 37 R HA -0.100 4.241 4.340 0.000 0.000 0.265 37 R C 0.497 176.636 176.300 -0.268 0.000 1.009 37 R CA 0.236 56.117 56.100 -0.365 0.000 1.099 37 R CB 0.209 30.087 30.300 -0.703 0.000 0.965 37 R HN 0.037 nan 8.270 nan 0.000 0.428 38 F N -1.405 118.593 119.950 0.080 0.000 2.945 38 F HA -0.354 4.173 4.527 0.000 0.000 0.334 38 F C 0.455 176.280 175.800 0.041 0.000 0.683 38 F CA 1.046 59.080 58.000 0.056 0.000 1.044 38 F CB -1.241 37.794 39.000 0.057 0.000 1.478 38 F HN 0.456 nan 8.300 nan 0.000 0.324 39 K N 1.774 122.267 120.400 0.155 0.000 2.087 39 K HA 0.289 4.610 4.320 0.000 0.000 0.255 39 K C 0.265 176.918 176.600 0.087 0.000 0.988 39 K CA -0.707 55.647 56.287 0.111 0.000 0.915 39 K CB 0.517 33.064 32.500 0.077 0.000 1.043 39 K HN -0.105 nan 8.250 nan 0.000 0.457 40 D N 2.795 123.248 120.400 0.087 0.000 2.443 40 D HA 0.025 4.665 4.640 0.000 0.000 0.234 40 D C -2.002 174.343 176.300 0.075 0.000 1.172 40 D CA -0.630 53.425 54.000 0.091 0.000 0.878 40 D CB -0.076 40.786 40.800 0.104 0.000 1.204 40 D HN 0.231 nan 8.370 nan 0.000 0.453 41 P HA 0.070 nan 4.420 nan 0.000 0.275 41 P C -0.669 176.673 177.300 0.071 0.000 1.227 41 P CA -0.348 62.787 63.100 0.058 0.000 0.781 41 P CB 0.787 32.529 31.700 0.070 0.000 0.906 42 V N 5.683 125.629 119.914 0.052 0.000 2.427 42 V HA 0.246 4.367 4.120 0.000 0.000 0.286 42 V C -2.010 174.137 176.094 0.089 0.000 1.034 42 V CA -2.105 60.235 62.300 0.067 0.000 0.893 42 V CB 1.050 32.900 31.823 0.046 0.000 0.982 42 V HN 0.530 nan 8.190 nan 0.000 0.452 43 P HA -0.057 nan 4.420 nan 0.000 0.265 43 P C -0.808 176.600 177.300 0.181 0.000 1.187 43 P CA 0.090 63.296 63.100 0.176 0.000 0.766 43 P CB 0.126 31.924 31.700 0.164 0.000 0.820 44 Y N 3.076 123.438 120.300 0.104 0.000 2.537 44 Y HA 0.121 4.671 4.550 0.000 0.000 0.339 44 Y C -0.061 175.900 175.900 0.101 0.000 1.066 44 Y CA 0.597 58.746 58.100 0.082 0.000 1.357 44 Y CB 0.025 38.543 38.460 0.096 0.000 1.175 44 Y HN 0.215 nan 8.280 nan 0.000 0.525 45 S N 4.969 120.423 115.700 -0.410 0.000 2.532 45 S HA 0.775 5.245 4.470 0.000 0.000 0.318 45 S C 0.100 174.378 174.600 -0.537 0.000 1.083 45 S CA -0.102 57.910 58.200 -0.313 0.000 1.131 45 S CB 0.650 63.760 63.200 -0.150 0.000 0.973 45 S HN 1.105 nan 8.310 nan 0.000 0.468 46 G N 1.119 109.669 108.800 -0.416 0.000 2.342 46 G HA2 0.505 4.465 3.960 0.000 0.000 0.297 46 G HA3 0.505 4.465 3.960 0.000 0.000 0.297 46 G C -1.622 173.302 174.900 0.039 0.000 1.313 46 G CA -0.571 44.374 45.100 -0.258 0.000 0.830 46 G HN 0.466 nan 8.290 nan 0.000 0.506 47 S N -0.927 114.852 115.700 0.131 0.000 2.473 47 S HA 0.619 5.089 4.470 0.000 0.000 0.307 47 S C 0.655 175.413 174.600 0.263 0.000 1.094 47 S CA -0.747 57.562 58.200 0.181 0.000 1.070 47 S CB 0.985 64.252 63.200 0.112 0.000 1.019 47 S HN 0.516 nan 8.310 nan 0.000 0.480 48 L N 2.188 123.588 121.223 0.293 0.000 2.693 48 L HA 0.309 4.649 4.340 0.000 0.000 0.235 48 L C 0.321 177.364 176.870 0.288 0.000 1.127 48 L CA -0.226 54.834 54.840 0.365 0.000 0.914 48 L CB -0.093 42.232 42.059 0.444 0.000 1.193 48 L HN 0.563 nan 8.230 nan 0.000 0.502 49 D N 1.453 121.970 120.400 0.195 0.000 2.531 49 D HA 0.130 4.770 4.640 0.000 0.000 0.239 49 D C 1.381 177.755 176.300 0.124 0.000 1.144 49 D CA 1.648 55.733 54.000 0.142 0.000 0.869 49 D CB 0.839 41.697 40.800 0.098 0.000 1.160 49 D HN 0.348 nan 8.370 nan 0.000 0.484 50 G N 3.067 111.937 108.800 0.117 0.000 2.179 50 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 50 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 50 G C 0.331 175.266 174.900 0.058 0.000 0.977 50 G CA 0.441 45.589 45.100 0.080 0.000 0.641 50 G HN 0.606 nan 8.290 nan 0.000 0.533 51 Q N 0.053 119.902 119.800 0.081 0.000 2.260 51 Q HA 0.568 4.908 4.340 0.000 0.000 0.242 51 Q C 0.058 175.945 176.000 -0.188 0.000 0.932 51 Q CA -0.207 55.534 55.803 -0.102 0.000 0.891 51 Q CB 1.109 29.724 28.738 -0.204 0.000 1.222 51 Q HN 0.301 nan 8.270 nan 0.000 0.453 52 K N 1.415 121.597 120.400 -0.364 0.000 2.138 52 K HA 0.408 4.728 4.320 0.000 0.000 0.263 52 K C -1.110 175.151 176.600 -0.565 0.000 0.965 52 K CA -0.339 55.798 56.287 -0.250 0.000 0.868 52 K CB 0.920 33.339 32.500 -0.136 0.000 1.083 52 K HN 0.396 nan 8.250 nan 0.000 0.443 53 F N 1.360 121.355 119.950 0.074 0.000 2.564 53 F HA 0.132 4.659 4.527 0.000 0.000 0.361 53 F C 0.868 176.649 175.800 -0.032 0.000 1.161 53 F CA -0.660 57.374 58.000 0.057 0.000 1.198 53 F CB 1.296 40.395 39.000 0.166 0.000 1.424 53 F HN 0.529 nan 8.300 nan 0.000 0.517 54 T N -3.417 111.144 114.554 0.011 0.000 3.084 54 T HA 0.378 4.728 4.350 0.000 0.000 0.270 54 T C 0.353 175.011 174.700 -0.069 0.000 1.008 54 T CA -0.196 61.872 62.100 -0.053 0.000 0.900 54 T CB 0.180 69.008 68.868 -0.068 0.000 1.084 54 T HN 0.166 nan 8.240 nan 0.000 0.538 55 S N 0.006 115.674 115.700 -0.053 0.000 2.556 55 S HA 0.586 5.056 4.470 0.000 0.000 0.271 55 S C -1.576 173.000 174.600 -0.041 0.000 1.135 55 S CA -0.872 57.300 58.200 -0.045 0.000 0.858 55 S CB 1.078 64.279 63.200 0.002 0.000 1.114 55 S HN 0.294 nan 8.310 nan 0.000 0.468 56 Y N 1.506 121.817 120.300 0.019 0.000 2.411 56 Y HA 0.435 4.985 4.550 0.000 0.000 0.333 56 Y C 1.361 177.265 175.900 0.007 0.000 1.186 56 Y CA 0.718 58.830 58.100 0.020 0.000 1.381 56 Y CB 0.393 38.853 38.460 0.000 0.000 1.273 56 Y HN 0.834 nan 8.280 nan 0.000 0.546 57 G N 3.243 112.147 108.800 0.173 0.000 2.543 57 G HA2 0.430 4.390 3.960 0.000 0.000 0.290 57 G HA3 0.430 4.390 3.960 0.000 0.000 0.290 57 G C -2.488 172.444 174.900 0.054 0.000 1.310 57 G CA -1.361 43.790 45.100 0.085 0.000 1.025 57 G HN 0.432 nan 8.290 nan 0.000 0.502 58 P HA 0.217 nan 4.420 nan 0.000 0.274 58 P C -0.221 177.051 177.300 -0.046 0.000 1.256 58 P CA -0.252 62.824 63.100 -0.040 0.000 0.795 58 P CB 1.050 32.715 31.700 -0.058 0.000 1.038 59 S N -0.494 115.153 115.700 -0.088 0.000 2.669 59 S HA 0.292 4.762 4.470 0.000 0.000 0.270 59 S C 0.405 174.934 174.600 -0.118 0.000 1.225 59 S CA -0.564 57.576 58.200 -0.101 0.000 0.991 59 S CB 0.329 63.436 63.200 -0.156 0.000 0.987 59 S HN 0.505 nan 8.310 nan 0.000 0.552 60 c N 2.466 120.996 118.600 -0.116 0.000 2.639 60 c HA 0.285 4.856 4.570 0.000 0.000 0.360 60 c C 1.007 174.916 174.090 -0.301 0.000 1.351 60 c CA -0.854 55.361 56.329 -0.189 0.000 2.408 60 c CB -0.574 41.865 42.510 -0.118 0.000 2.517 60 c HN 0.676 nan 8.230 nan 0.000 0.696 61 M N 2.385 121.628 119.600 -0.595 0.000 2.251 61 M HA 0.067 4.548 4.480 0.000 0.000 0.343 61 M C 0.211 176.201 176.300 -0.517 0.000 1.245 61 M CA 1.189 55.999 55.300 -0.817 0.000 1.061 61 M CB -0.259 31.247 32.600 -1.824 0.000 1.723 61 M HN 0.641 nan 8.290 nan 0.000 0.449 62 Q N 1.979 121.658 119.800 -0.202 0.000 2.226 62 Q HA 0.420 4.760 4.340 0.000 0.000 0.256 62 Q C -0.578 175.549 176.000 0.212 0.000 0.962 62 Q CA -0.490 55.346 55.803 0.055 0.000 0.887 62 Q CB 2.237 31.026 28.738 0.086 0.000 1.282 62 Q HN 0.611 nan 8.270 nan 0.000 0.449 63 Q N 1.634 121.612 119.800 0.298 0.000 2.274 63 Q HA 0.195 4.535 4.340 0.000 0.000 0.260 63 Q C -0.527 175.585 176.000 0.187 0.000 0.974 63 Q CA -0.685 55.300 55.803 0.304 0.000 0.876 63 Q CB 1.206 30.155 28.738 0.351 0.000 1.297 63 Q HN 0.456 nan 8.270 nan 0.000 0.446 64 N N 4.958 123.729 118.700 0.120 0.000 2.434 64 N HA 0.011 4.751 4.740 0.000 0.000 0.268 64 N C -1.797 173.707 175.510 -0.010 0.000 1.256 64 N CA -1.272 51.793 53.050 0.026 0.000 0.914 64 N CB 1.032 39.523 38.487 0.008 0.000 1.088 64 N HN 0.502 nan 8.380 nan 0.000 0.478 65 P HA -0.104 nan 4.420 nan 0.000 0.223 65 P C 0.092 177.225 177.300 -0.279 0.000 1.144 65 P CA 1.163 64.041 63.100 -0.370 0.000 0.783 65 P CB 0.508 31.805 31.700 -0.671 0.000 0.771 66 E N -0.221 119.886 120.200 -0.156 0.000 2.476 66 E HA 0.162 4.513 4.350 0.000 0.000 0.196 66 E C 1.218 177.782 176.600 -0.059 0.000 1.029 66 E CA -0.148 56.191 56.400 -0.102 0.000 0.896 66 E CB 0.061 29.707 29.700 -0.091 0.000 1.012 66 E HN 0.166 nan 8.360 nan 0.000 0.475 67 G N 0.867 109.649 108.800 -0.030 0.000 2.559 67 G HA2 0.212 4.172 3.960 0.000 0.000 0.235 67 G HA3 0.212 4.172 3.960 0.000 0.000 0.235 67 G C 0.041 174.931 174.900 -0.017 0.000 1.266 67 G CA 0.577 45.679 45.100 0.003 0.000 0.847 67 G HN 0.078 nan 8.290 nan 0.000 0.583 68 T N -0.547 113.984 114.554 -0.039 0.000 2.800 68 T HA 0.203 4.553 4.350 0.000 0.000 0.327 68 T C 0.517 175.143 174.700 -0.123 0.000 1.838 68 T CA -0.059 61.951 62.100 -0.150 0.000 1.024 68 T CB 0.093 68.799 68.868 -0.269 0.000 1.755 68 T HN 0.894 nan 8.240 nan 0.000 0.507 69 Y N 0.556 120.876 120.300 0.033 0.000 2.571 69 Y HA 0.477 5.027 4.550 0.000 0.000 0.294 69 Y C 0.810 176.716 175.900 0.011 0.000 1.141 69 Y CA -0.140 57.971 58.100 0.018 0.000 1.308 69 Y CB -0.473 37.996 38.460 0.014 0.000 1.002 69 Y HN 0.508 nan 8.280 nan 0.000 0.551 70 E N 0.995 121.074 120.200 -0.202 0.000 2.385 70 E HA 0.184 4.535 4.350 0.000 0.000 0.254 70 E C -0.340 176.227 176.600 -0.055 0.000 1.228 70 E CA -0.577 55.771 56.400 -0.087 0.000 0.956 70 E CB 0.523 30.104 29.700 -0.198 0.000 1.116 70 E HN 0.137 nan 8.360 nan 0.000 0.507 71 E N 1.455 121.633 120.200 -0.037 0.000 2.234 71 E HA 0.325 4.675 4.350 0.000 0.000 0.266 71 E C -0.815 175.759 176.600 -0.043 0.000 0.877 71 E CA -0.528 55.853 56.400 -0.031 0.000 0.758 71 E CB 1.532 31.225 29.700 -0.012 0.000 1.170 71 E HN 0.623 nan 8.360 nan 0.000 0.415 72 N N 1.573 120.246 118.700 -0.044 0.000 3.116 72 N HA 0.078 4.818 4.740 0.000 0.000 0.244 72 N C 0.307 175.791 175.510 -0.044 0.000 1.485 72 N CA -0.610 52.412 53.050 -0.047 0.000 0.884 72 N CB 0.912 39.364 38.487 -0.057 0.000 1.415 72 N HN 0.231 nan 8.380 nan 0.000 0.524 73 L N 1.005 122.202 121.223 -0.043 0.000 1.994 73 L HA 0.087 4.427 4.340 0.000 0.000 0.208 73 L C -0.922 175.920 176.870 -0.047 0.000 1.071 73 L CA 2.037 56.852 54.840 -0.042 0.000 0.745 73 L CB -1.621 40.414 42.059 -0.040 0.000 0.892 73 L HN 0.568 nan 8.230 nan 0.000 0.431 74 P HA -0.216 nan 4.420 nan 0.000 0.215 74 P C 1.437 178.700 177.300 -0.062 0.000 1.153 74 P CA 1.624 64.691 63.100 -0.054 0.000 0.853 74 P CB -0.083 31.587 31.700 -0.050 0.000 0.788 75 K N -0.137 120.228 120.400 -0.057 0.000 2.002 75 K HA -0.133 4.187 4.320 0.000 0.000 0.209 75 K C 2.029 178.598 176.600 -0.053 0.000 1.048 75 K CA 1.635 57.888 56.287 -0.056 0.000 0.930 75 K CB -0.732 31.738 32.500 -0.050 0.000 0.714 75 K HN -0.056 nan 8.250 nan 0.000 0.438 76 A N 1.093 123.885 122.820 -0.047 0.000 1.908 76 A HA -0.148 4.173 4.320 0.000 0.000 0.218 76 A C 2.329 179.882 177.584 -0.052 0.000 1.181 76 A CA 2.105 54.116 52.037 -0.043 0.000 0.627 76 A CB -0.841 18.137 19.000 -0.036 0.000 0.818 76 A HN 0.541 nan 8.150 nan 0.000 0.445 77 A N -0.449 122.337 122.820 -0.058 0.000 1.873 77 A HA 0.020 4.340 4.320 0.000 0.000 0.215 77 A C 2.173 179.703 177.584 -0.090 0.000 1.186 77 A CA 1.386 53.383 52.037 -0.066 0.000 0.616 77 A CB -0.601 18.362 19.000 -0.061 0.000 0.823 77 A HN 0.450 nan 8.150 nan 0.000 0.442 78 L N -0.790 120.373 121.223 -0.100 0.000 2.131 78 L HA -0.213 4.128 4.340 0.000 0.000 0.210 78 L C 2.278 179.052 176.870 -0.161 0.000 1.092 78 L CA 1.898 56.654 54.840 -0.140 0.000 0.759 78 L CB -0.558 41.422 42.059 -0.131 0.000 0.903 78 L HN 0.473 nan 8.230 nan 0.000 0.435 79 D N -0.317 120.017 120.400 -0.110 0.000 2.117 79 D HA -0.204 4.436 4.640 0.000 0.000 0.198 79 D C 2.213 178.452 176.300 -0.102 0.000 0.982 79 D CA 0.588 54.532 54.000 -0.094 0.000 0.828 79 D CB 0.135 40.904 40.800 -0.052 0.000 0.967 79 D HN 0.058 nan 8.370 nan 0.000 0.464 80 L N 0.498 121.668 121.223 -0.088 0.000 2.013 80 L HA -0.162 4.179 4.340 0.000 0.000 0.212 80 L C 2.110 178.918 176.870 -0.103 0.000 1.073 80 L CA 1.495 56.291 54.840 -0.074 0.000 0.753 80 L CB -0.862 41.160 42.059 -0.061 0.000 0.890 80 L HN 0.076 nan 8.230 nan 0.000 0.432 81 V N 0.265 120.084 119.914 -0.158 0.000 2.237 81 V HA -0.349 3.771 4.120 0.000 0.000 0.245 81 V C 2.765 178.609 176.094 -0.416 0.000 1.046 81 V CA 2.216 64.378 62.300 -0.231 0.000 1.007 81 V CB -0.479 31.179 31.823 -0.274 0.000 0.638 81 V HN 0.407 nan 8.190 nan 0.000 0.445 82 M N -0.527 118.735 119.600 -0.562 0.000 2.267 82 M HA -0.194 4.286 4.480 0.000 0.000 0.263 82 M C 1.902 178.077 176.300 -0.208 0.000 1.063 82 M CA 1.457 56.328 55.300 -0.715 0.000 1.090 82 M CB -0.344 31.978 32.600 -0.463 0.000 1.392 82 M HN 0.327 nan 8.290 nan 0.000 0.422 83 Q N 0.089 119.826 119.800 -0.105 0.000 2.360 83 Q HA 0.136 4.476 4.340 0.000 0.000 0.202 83 Q C 0.646 176.665 176.000 0.031 0.000 0.915 83 Q CA 0.127 55.928 55.803 -0.003 0.000 0.943 83 Q CB -0.212 28.521 28.738 -0.008 0.000 1.064 83 Q HN 0.502 nan 8.270 nan 0.000 0.511 84 S N -0.053 115.668 115.700 0.035 0.000 2.562 84 S HA 0.161 4.632 4.470 0.000 0.000 0.281 84 S C 1.027 175.687 174.600 0.100 0.000 1.333 84 S CA -0.435 57.802 58.200 0.061 0.000 1.052 84 S CB 1.228 64.464 63.200 0.060 0.000 0.884 84 S HN -0.164 nan 8.310 nan 0.000 0.506 85 K N 2.320 122.756 120.400 0.060 0.000 2.152 85 K HA 0.003 4.323 4.320 0.000 0.000 0.206 85 K C 1.829 178.458 176.600 0.047 0.000 1.048 85 K CA 1.197 57.511 56.287 0.046 0.000 0.933 85 K CB -0.905 31.609 32.500 0.024 0.000 0.721 85 K HN 0.564 nan 8.250 nan 0.000 0.447 86 V N 0.176 120.125 119.914 0.058 0.000 2.427 86 V HA -0.190 3.930 4.120 0.000 0.000 0.248 86 V C 1.902 178.029 176.094 0.056 0.000 1.051 86 V CA 1.541 63.868 62.300 0.045 0.000 1.048 86 V CB -0.476 31.376 31.823 0.047 0.000 0.666 86 V HN 0.188 nan 8.190 nan 0.000 0.456 87 F N 1.205 121.137 119.950 -0.031 0.000 2.128 87 F HA -0.089 4.439 4.527 0.000 0.000 0.295 87 F C 2.511 178.288 175.800 -0.039 0.000 1.100 87 F CA 1.522 59.499 58.000 -0.037 0.000 1.260 87 F CB -0.115 38.864 39.000 -0.035 0.000 1.009 87 F HN 0.121 nan 8.300 nan 0.000 0.476 88 E N 0.355 120.627 120.200 0.120 0.000 2.265 88 E HA -0.183 4.167 4.350 0.000 0.000 0.196 88 E C 2.169 178.731 176.600 -0.064 0.000 0.996 88 E CA 0.994 57.412 56.400 0.029 0.000 0.832 88 E CB -0.513 29.222 29.700 0.059 0.000 0.756 88 E HN 0.530 nan 8.360 nan 0.000 0.491 89 A N 0.732 123.511 122.820 -0.069 0.000 1.887 89 A HA -0.002 4.318 4.320 0.000 0.000 0.212 89 A C 2.506 180.016 177.584 -0.124 0.000 1.198 89 A CA 0.548 52.539 52.037 -0.077 0.000 0.628 89 A CB -0.301 18.672 19.000 -0.045 0.000 0.847 89 A HN 0.110 nan 8.150 nan 0.000 0.449 90 V N -0.601 119.209 119.914 -0.174 0.000 2.548 90 V HA -0.014 4.107 4.120 0.000 0.000 0.249 90 V C 1.405 177.324 176.094 -0.292 0.000 1.055 90 V CA 1.849 64.025 62.300 -0.206 0.000 1.065 90 V CB -0.039 31.662 31.823 -0.203 0.000 0.681 90 V HN 0.434 nan 8.190 nan 0.000 0.462 91 S N 1.263 116.692 115.700 -0.451 0.000 2.112 91 S HA 0.366 4.836 4.470 0.000 0.000 0.151 91 S C -2.576 171.817 174.600 -0.346 0.000 1.723 91 S CA -1.182 56.730 58.200 -0.479 0.000 1.263 91 S CB 0.533 63.256 63.200 -0.796 0.000 1.194 91 S HN 0.295 nan 8.310 nan 0.000 0.419 92 P HA 0.294 nan 4.420 nan 0.000 0.275 92 P C -0.650 176.580 177.300 -0.116 0.000 1.227 92 P CA -0.118 62.905 63.100 -0.128 0.000 0.781 92 P CB 1.218 32.864 31.700 -0.090 0.000 0.906 93 S N 0.662 116.304 115.700 -0.096 0.000 2.599 93 S HA 0.802 5.273 4.470 0.000 0.000 0.287 93 S C -0.648 173.876 174.600 -0.126 0.000 1.105 93 S CA -0.783 57.347 58.200 -0.116 0.000 0.899 93 S CB 1.848 64.978 63.200 -0.117 0.000 1.100 93 S HN 0.601 nan 8.310 nan 0.000 0.482 94 S N -0.666 114.936 115.700 -0.164 0.000 2.595 94 S HA 0.364 4.834 4.470 0.000 0.000 0.270 94 S C -0.212 174.257 174.600 -0.219 0.000 1.145 94 S CA -0.589 57.513 58.200 -0.163 0.000 0.825 94 S CB 1.365 64.503 63.200 -0.102 0.000 1.107 94 S HN 0.793 nan 8.310 nan 0.000 0.461 95 E N 0.452 120.529 120.200 -0.205 0.000 2.285 95 E HA -0.031 4.319 4.350 0.000 0.000 0.194 95 E C -0.417 176.104 176.600 -0.132 0.000 0.997 95 E CA 0.451 56.726 56.400 -0.209 0.000 0.845 95 E CB 0.107 29.715 29.700 -0.153 0.000 0.782 95 E HN 0.485 nan 8.360 nan 0.000 0.491 96 D N 0.337 120.676 120.400 -0.103 0.000 2.494 96 D HA 0.010 4.651 4.640 0.000 0.000 0.217 96 D C 0.083 176.331 176.300 -0.087 0.000 1.153 96 D CA -0.344 53.607 54.000 -0.081 0.000 0.954 96 D CB 0.007 40.776 40.800 -0.053 0.000 1.034 96 D HN 0.115 nan 8.370 nan 0.000 0.518 97 c N 2.181 120.722 118.600 -0.098 0.000 3.911 97 c HA 0.377 4.947 4.570 0.000 0.000 0.318 97 c C 0.811 174.866 174.090 -0.059 0.000 1.643 97 c CA -0.648 55.639 56.329 -0.071 0.000 1.845 97 c CB -1.319 41.147 42.510 -0.074 0.000 2.981 97 c HN 0.432 nan 8.230 nan 0.000 0.656 98 L N 4.138 125.260 121.223 -0.167 0.000 2.382 98 L HA 0.311 4.651 4.340 0.000 0.000 0.259 98 L C 0.703 177.333 176.870 -0.400 0.000 1.291 98 L CA 0.862 55.492 54.840 -0.349 0.000 1.176 98 L CB -0.517 41.125 42.059 -0.695 0.000 1.373 98 L HN 0.603 nan 8.230 nan 0.000 0.426 99 T N -0.727 113.873 114.554 0.076 0.000 2.926 99 T HA 0.737 5.087 4.350 0.000 0.000 0.289 99 T C -0.481 174.376 174.700 0.263 0.000 1.054 99 T CA -0.748 61.434 62.100 0.137 0.000 1.015 99 T CB 2.826 71.716 68.868 0.037 0.000 1.167 99 T HN 0.209 nan 8.240 nan 0.000 0.526 100 I N 0.560 121.112 120.570 -0.031 0.000 2.730 100 I HA 0.540 4.711 4.170 0.000 0.000 0.298 100 I C -1.540 174.432 176.117 -0.242 0.000 1.089 100 I CA -1.136 59.997 61.300 -0.277 0.000 1.041 100 I CB 2.055 39.578 38.000 -0.796 0.000 1.235 100 I HN 0.883 nan 8.210 nan 0.000 0.423 101 N N 5.318 123.935 118.700 -0.138 0.000 2.314 101 N HA 0.566 5.306 4.740 0.000 0.000 0.294 101 N C -1.641 173.831 175.510 -0.064 0.000 1.029 101 N CA -0.677 52.330 53.050 -0.071 0.000 0.845 101 N CB 2.537 41.064 38.487 0.067 0.000 1.321 101 N HN 0.123 nan 8.380 nan 0.000 0.481 102 V N 2.327 122.193 119.914 -0.080 0.000 2.378 102 V HA 0.456 4.576 4.120 0.000 0.000 0.288 102 V C -0.459 175.704 176.094 0.116 0.000 1.016 102 V CA -0.686 61.562 62.300 -0.086 0.000 0.840 102 V CB 1.380 32.880 31.823 -0.537 0.000 0.994 102 V HN 0.384 nan 8.190 nan 0.000 0.431 103 V N 6.365 126.366 119.914 0.144 0.000 2.540 103 V HA 0.726 4.846 4.120 0.000 0.000 0.302 103 V C -0.043 176.151 176.094 0.167 0.000 1.035 103 V CA -0.755 61.636 62.300 0.151 0.000 0.873 103 V CB 1.879 33.757 31.823 0.092 0.000 0.992 103 V HN 1.040 nan 8.190 nan 0.000 0.428 104 R N 3.624 124.225 120.500 0.168 0.000 2.855 104 R HA 0.746 5.087 4.340 0.000 0.000 0.266 104 R C -3.225 173.144 176.300 0.116 0.000 1.034 104 R CA -2.273 53.921 56.100 0.157 0.000 0.944 104 R CB 1.626 32.049 30.300 0.206 0.000 1.219 104 R HN 0.322 nan 8.270 nan 0.000 0.474 105 P HA 0.175 nan 4.420 nan 0.000 0.271 105 P C -2.461 174.884 177.300 0.076 0.000 1.218 105 P CA -1.099 62.045 63.100 0.074 0.000 0.780 105 P CB 0.166 31.905 31.700 0.066 0.000 0.901 106 P HA 0.053 nan 4.420 nan 0.000 0.267 106 P C 0.904 178.238 177.300 0.057 0.000 1.200 106 P CA 1.121 64.253 63.100 0.053 0.000 0.772 106 P CB 0.172 31.892 31.700 0.034 0.000 0.855 107 G N 1.059 109.897 108.800 0.063 0.000 2.179 107 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 107 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 107 G C 0.313 175.254 174.900 0.067 0.000 0.977 107 G CA 0.171 45.306 45.100 0.058 0.000 0.641 107 G HN 0.599 nan 8.290 nan 0.000 0.533 108 T N 0.744 115.351 114.554 0.088 0.000 2.919 108 T HA 0.531 4.881 4.350 0.000 0.000 0.302 108 T C 0.413 175.170 174.700 0.095 0.000 1.031 108 T CA 0.499 62.654 62.100 0.093 0.000 1.127 108 T CB 1.364 70.303 68.868 0.117 0.000 0.952 108 T HN 0.456 nan 8.240 nan 0.000 0.540 109 K N 0.590 121.031 120.400 0.069 0.000 2.444 109 K HA 0.712 5.032 4.320 0.000 0.000 0.252 109 K C -0.386 176.231 176.600 0.028 0.000 0.993 109 K CA -0.824 55.491 56.287 0.047 0.000 0.847 109 K CB 1.563 34.082 32.500 0.032 0.000 1.340 109 K HN 0.662 nan 8.250 nan 0.000 0.446 110 A N 0.368 123.185 122.820 -0.005 0.000 2.531 110 A HA 0.421 4.741 4.320 0.000 0.000 0.236 110 A C 1.171 178.750 177.584 -0.008 0.000 1.062 110 A CA 1.185 53.207 52.037 -0.026 0.000 0.760 110 A CB -0.953 18.010 19.000 -0.061 0.000 0.995 110 A HN 0.975 nan 8.150 nan 0.000 0.501 111 G N 0.271 109.067 108.800 -0.005 0.000 2.199 111 G HA2 -0.038 3.923 3.960 0.000 0.000 0.254 111 G HA3 -0.038 3.923 3.960 0.000 0.000 0.254 111 G C 1.243 176.149 174.900 0.010 0.000 0.982 111 G CA 1.171 46.270 45.100 -0.001 0.000 0.632 111 G HN 1.995 nan 8.290 nan 0.000 0.529 112 A N 0.550 123.383 122.820 0.021 0.000 1.940 112 A HA 0.116 4.436 4.320 0.000 0.000 0.219 112 A C 1.633 179.232 177.584 0.025 0.000 1.176 112 A CA 1.902 53.956 52.037 0.028 0.000 0.631 112 A CB -0.429 18.598 19.000 0.044 0.000 0.814 112 A HN 1.427 nan 8.150 nan 0.000 0.446 113 N N -0.979 117.736 118.700 0.026 0.000 2.738 113 N HA -0.130 4.610 4.740 0.000 0.000 0.249 113 N C -0.602 174.922 175.510 0.023 0.000 1.047 113 N CA 0.941 54.004 53.050 0.021 0.000 0.707 113 N CB -1.611 36.882 38.487 0.011 0.000 0.937 113 N HN 0.559 nan 8.380 nan 0.000 0.545 114 L N 0.078 121.322 121.223 0.035 0.000 2.418 114 L HA 0.386 4.726 4.340 0.000 0.000 0.265 114 L C -1.641 175.247 176.870 0.029 0.000 1.143 114 L CA -1.592 53.268 54.840 0.034 0.000 0.809 114 L CB 0.342 42.431 42.059 0.050 0.000 1.124 114 L HN -0.175 nan 8.230 nan 0.000 0.456 115 P HA 0.057 nan 4.420 nan 0.000 0.269 115 P C -0.944 176.367 177.300 0.019 0.000 1.209 115 P CA -0.119 62.984 63.100 0.005 0.000 0.776 115 P CB 0.793 32.484 31.700 -0.014 0.000 0.876 116 V N 4.308 124.233 119.914 0.017 0.000 2.459 116 V HA 0.393 4.513 4.120 0.000 0.000 0.295 116 V C 0.194 176.298 176.094 0.017 0.000 1.029 116 V CA -0.309 62.008 62.300 0.029 0.000 0.874 116 V CB 1.342 33.186 31.823 0.035 0.000 0.985 116 V HN 0.474 nan 8.190 nan 0.000 0.438 117 M N 5.680 125.295 119.600 0.025 0.000 2.044 117 M HA 0.464 4.944 4.480 0.000 0.000 0.333 117 M C -0.853 175.540 176.300 0.156 0.000 1.004 117 M CA -0.274 55.042 55.300 0.028 0.000 0.954 117 M CB 1.601 34.128 32.600 -0.123 0.000 1.468 117 M HN 0.480 nan 8.290 nan 0.000 0.414 118 L N 4.714 126.047 121.223 0.183 0.000 2.268 118 L HA 0.334 4.675 4.340 0.000 0.000 0.289 118 L C -0.790 176.124 176.870 0.073 0.000 1.064 118 L CA -0.230 54.651 54.840 0.068 0.000 0.824 118 L CB 0.524 42.554 42.059 -0.049 0.000 1.202 118 L HN 0.750 nan 8.230 nan 0.000 0.433 119 W N 7.956 129.064 121.300 -0.320 0.000 2.311 119 W HA 0.377 5.037 4.660 0.000 0.000 0.310 119 W C -1.311 174.955 176.519 -0.420 0.000 1.274 119 W CA -0.701 56.260 57.345 -0.640 0.000 1.215 119 W CB 1.066 30.183 29.460 -0.571 0.000 1.227 119 W HN 0.377 nan 8.180 nan 0.000 0.523 120 I N 9.710 129.462 120.570 -1.363 0.000 2.420 120 I HA 0.100 4.270 4.170 0.000 0.000 0.282 120 I C 0.178 175.378 176.117 -1.529 0.000 1.019 120 I CA -0.959 59.671 61.300 -1.118 0.000 1.130 120 I CB 0.359 37.872 38.000 -0.811 0.000 1.262 120 I HN 0.213 nan 8.210 nan 0.000 0.454 121 F N 4.355 123.674 119.950 -1.052 0.000 2.539 121 F HA 0.656 5.183 4.527 0.000 0.000 0.340 121 F C 0.701 176.238 175.800 -0.439 0.000 1.185 121 F CA -0.702 56.791 58.000 -0.846 0.000 1.333 121 F CB 0.035 38.801 39.000 -0.390 0.000 1.152 121 F HN 0.350 nan 8.300 nan 0.000 0.602 122 G N -0.683 108.106 108.800 -0.017 0.000 2.448 122 G HA2 0.539 4.499 3.960 0.000 0.000 0.324 122 G HA3 0.539 4.499 3.960 0.000 0.000 0.324 122 G C -0.207 174.794 174.900 0.169 0.000 1.203 122 G CA -0.685 44.400 45.100 -0.025 0.000 0.954 122 G HN 1.366 nan 8.290 nan 0.000 0.480 123 G N -0.913 107.872 108.800 -0.025 0.000 5.648 123 G HA2 0.502 4.462 3.960 0.000 0.000 0.192 123 G HA3 0.502 4.462 3.960 0.000 0.000 0.192 123 G C 0.842 175.512 174.900 -0.383 0.000 0.694 123 G CA 0.776 45.855 45.100 -0.034 0.000 0.654 123 G HN 2.032 nan 8.290 nan 0.000 0.324 124 G N 0.238 108.656 108.800 -0.637 0.000 2.203 124 G HA2 -0.227 3.733 3.960 0.000 0.000 0.263 124 G HA3 -0.227 3.733 3.960 0.000 0.000 0.263 124 G C 0.782 175.562 174.900 -0.201 0.000 1.012 124 G CA 0.510 45.161 45.100 -0.748 0.000 0.749 124 G HN 1.379 nan 8.290 nan 0.000 0.512 125 F N -1.843 118.073 119.950 -0.056 0.000 3.034 125 F HA -0.226 4.301 4.527 0.000 0.000 0.286 125 F C 1.311 177.257 175.800 0.243 0.000 0.804 125 F CA 1.831 59.866 58.000 0.058 0.000 1.161 125 F CB -1.812 37.035 39.000 -0.255 0.000 1.317 125 F HN 0.517 nan 8.300 nan 0.000 0.453 126 E N -1.548 118.866 120.200 0.356 0.000 2.576 126 E HA 0.357 4.707 4.350 0.000 0.000 0.214 126 E C 0.441 177.274 176.600 0.389 0.000 0.859 126 E CA 0.709 57.373 56.400 0.440 0.000 1.399 126 E CB 1.314 31.353 29.700 0.565 0.000 1.374 126 E HN 0.219 nan 8.360 nan 0.000 0.718 127 V N -2.517 117.597 119.914 0.333 0.000 3.182 127 V HA 0.966 5.087 4.120 0.000 0.000 0.308 127 V C -0.361 175.835 176.094 0.171 0.000 1.240 127 V CA -0.147 62.303 62.300 0.251 0.000 1.063 127 V CB 1.543 33.546 31.823 0.300 0.000 1.076 127 V HN 0.180 nan 8.190 nan 0.000 0.446 128 G N -1.193 107.614 108.800 0.012 0.000 2.402 128 G HA2 0.580 4.540 3.960 0.000 0.000 0.666 128 G HA3 0.580 4.540 3.960 0.000 0.000 0.666 128 G C -0.383 174.013 174.900 -0.841 0.000 1.402 128 G CA 0.024 44.952 45.100 -0.287 0.000 0.920 128 G HN 2.524 nan 8.290 nan 0.000 0.651 129 G N -1.313 106.758 108.800 -1.216 0.000 2.646 129 G HA2 0.787 4.748 3.960 0.000 0.000 0.291 129 G HA3 0.787 4.748 3.960 0.000 0.000 0.291 129 G C 0.815 175.372 174.900 -0.572 0.000 1.445 129 G CA 0.905 45.432 45.100 -0.955 0.000 0.814 129 G HN 1.852 nan 8.290 nan 0.000 0.495 130 T N -1.889 112.586 114.554 -0.131 0.000 2.857 130 T HA -0.116 4.234 4.350 0.000 0.000 0.266 130 T C 2.575 177.259 174.700 -0.027 0.000 1.048 130 T CA 2.173 64.419 62.100 0.243 0.000 1.139 130 T CB -0.466 68.621 68.868 0.365 0.000 0.874 130 T HN 1.072 nan 8.240 nan 0.000 0.455 131 S N 2.267 117.678 115.700 -0.481 0.000 2.440 131 S HA -0.132 4.339 4.470 0.000 0.000 0.238 131 S C 1.971 176.221 174.600 -0.583 0.000 1.010 131 S CA 1.340 58.917 58.200 -1.037 0.000 0.972 131 S CB -1.409 61.256 63.200 -0.891 0.000 0.774 131 S HN 0.817 nan 8.310 nan 0.000 0.501 132 T N -1.764 112.528 114.554 -0.436 0.000 3.188 132 T HA 0.372 4.722 4.350 0.000 0.000 0.250 132 T C -0.154 174.094 174.700 -0.754 0.000 1.077 132 T CA -0.467 61.302 62.100 -0.552 0.000 0.967 132 T CB -0.714 67.755 68.868 -0.664 0.000 1.006 132 T HN 0.330 nan 8.240 nan 0.000 0.552 133 F N 2.904 122.762 119.950 -0.154 0.000 2.550 133 F HA 0.378 4.905 4.527 0.000 0.000 0.348 133 F C -2.470 173.132 175.800 -0.330 0.000 1.219 133 F CA -2.963 54.895 58.000 -0.235 0.000 1.203 133 F CB 1.036 39.897 39.000 -0.231 0.000 1.436 133 F HN -0.072 nan 8.300 nan 0.000 0.541 134 P HA 0.003 nan 4.420 nan 0.000 0.260 134 P C -2.096 175.007 177.300 -0.329 0.000 1.185 134 P CA -0.798 62.134 63.100 -0.281 0.000 0.763 134 P CB 1.033 32.519 31.700 -0.357 0.000 0.776 135 P HA -0.026 nan 4.420 nan 0.000 0.240 135 P C 1.250 178.394 177.300 -0.259 0.000 1.190 135 P CA 0.459 63.224 63.100 -0.558 0.000 0.781 135 P CB 0.056 31.193 31.700 -0.939 0.000 0.931 136 A N 1.048 123.763 122.820 -0.175 0.000 1.892 136 A HA -0.264 4.056 4.320 0.000 0.000 0.218 136 A C 2.504 180.045 177.584 -0.071 0.000 1.188 136 A CA 2.051 54.030 52.037 -0.097 0.000 0.631 136 A CB -1.591 17.361 19.000 -0.079 0.000 0.822 136 A HN 0.236 nan 8.150 nan 0.000 0.447 137 Q N -1.588 118.157 119.800 -0.092 0.000 2.096 137 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 137 Q C 2.042 178.035 176.000 -0.013 0.000 0.982 137 Q CA 2.169 57.942 55.803 -0.049 0.000 0.850 137 Q CB -0.207 28.496 28.738 -0.059 0.000 0.901 137 Q HN 0.634 nan 8.270 nan 0.000 0.422 138 M N -0.106 119.489 119.600 -0.007 0.000 2.099 138 M HA -0.069 4.411 4.480 0.000 0.000 0.262 138 M C 1.707 178.035 176.300 0.047 0.000 1.067 138 M CA 1.435 56.764 55.300 0.048 0.000 1.124 138 M CB -0.067 32.602 32.600 0.116 0.000 1.353 138 M HN 0.303 nan 8.290 nan 0.000 0.410 139 I N -0.879 119.709 120.570 0.029 0.000 2.142 139 I HA -0.326 3.844 4.170 0.000 0.000 0.240 139 I C 2.055 178.189 176.117 0.029 0.000 1.078 139 I CA 1.731 63.055 61.300 0.040 0.000 1.343 139 I CB -0.823 37.197 38.000 0.033 0.000 1.046 139 I HN 0.316 nan 8.210 nan 0.000 0.405 140 T N 0.414 114.976 114.554 0.014 0.000 2.635 140 T HA -0.266 4.084 4.350 0.000 0.000 0.267 140 T C 1.916 176.626 174.700 0.017 0.000 1.040 140 T CA 1.882 63.990 62.100 0.013 0.000 1.156 140 T CB -0.248 68.623 68.868 0.005 0.000 0.863 140 T HN 0.123 nan 8.240 nan 0.000 0.430 141 K N 1.754 122.165 120.400 0.018 0.000 2.147 141 K HA -0.078 4.242 4.320 0.000 0.000 0.205 141 K C 2.434 179.048 176.600 0.023 0.000 1.049 141 K CA 1.818 58.116 56.287 0.018 0.000 0.936 141 K CB -0.614 31.897 32.500 0.017 0.000 0.722 141 K HN 0.433 nan 8.250 nan 0.000 0.446 142 S N 0.002 115.721 115.700 0.031 0.000 2.368 142 S HA -0.131 4.339 4.470 0.000 0.000 0.225 142 S C 2.087 176.704 174.600 0.029 0.000 1.030 142 S CA 1.301 59.521 58.200 0.034 0.000 0.999 142 S CB -0.632 62.594 63.200 0.044 0.000 0.844 142 S HN 0.342 nan 8.310 nan 0.000 0.459 143 I N 2.499 123.086 120.570 0.029 0.000 2.163 143 I HA -0.115 4.055 4.170 0.000 0.000 0.240 143 I C 3.136 179.265 176.117 0.020 0.000 1.081 143 I CA 1.151 62.467 61.300 0.026 0.000 1.353 143 I CB -0.768 37.247 38.000 0.026 0.000 1.054 143 I HN 0.421 nan 8.210 nan 0.000 0.407 144 A N 0.350 123.181 122.820 0.017 0.000 1.986 144 A HA -0.232 4.088 4.320 0.000 0.000 0.220 144 A C 2.303 179.895 177.584 0.013 0.000 1.171 144 A CA 1.795 53.840 52.037 0.013 0.000 0.640 144 A CB -0.632 18.375 19.000 0.011 0.000 0.811 144 A HN 0.424 nan 8.150 nan 0.000 0.451 145 M N -1.832 117.777 119.600 0.015 0.000 2.558 145 M HA 0.129 4.610 4.480 0.000 0.000 0.255 145 M C 1.374 177.682 176.300 0.015 0.000 1.113 145 M CA 0.831 56.139 55.300 0.014 0.000 1.097 145 M CB 0.169 32.779 32.600 0.016 0.000 1.426 145 M HN 0.651 nan 8.290 nan 0.000 0.488 146 G N 1.751 110.561 108.800 0.016 0.000 2.147 146 G HA2 -0.260 3.700 3.960 0.000 0.000 0.244 146 G HA3 -0.260 3.700 3.960 0.000 0.000 0.244 146 G C 0.027 174.938 174.900 0.017 0.000 1.005 146 G CA 0.107 45.216 45.100 0.016 0.000 0.713 146 G HN 0.475 nan 8.290 nan 0.000 0.515 147 K N 0.926 121.338 120.400 0.019 0.000 2.954 147 K HA 0.257 4.577 4.320 0.000 0.000 0.171 147 K C -2.683 173.933 176.600 0.025 0.000 1.079 147 K CA -1.533 54.766 56.287 0.019 0.000 0.908 147 K CB 2.369 34.879 32.500 0.018 0.000 1.142 147 K HN 0.227 nan 8.250 nan 0.000 0.613 148 P HA 0.074 nan 4.420 nan 0.000 0.271 148 P C -0.448 176.878 177.300 0.043 0.000 1.216 148 P CA -0.211 62.913 63.100 0.039 0.000 0.771 148 P CB 0.603 32.328 31.700 0.041 0.000 0.864 149 I N 0.453 121.056 120.570 0.055 0.000 3.002 149 I HA 0.591 4.761 4.170 0.000 0.000 0.310 149 I C -0.532 175.640 176.117 0.092 0.000 1.087 149 I CA -1.449 59.888 61.300 0.061 0.000 1.017 149 I CB 1.656 39.685 38.000 0.049 0.000 1.226 149 I HN 0.148 nan 8.210 nan 0.000 0.443 150 I N 2.969 123.598 120.570 0.098 0.000 2.404 150 I HA 0.315 4.485 4.170 0.000 0.000 0.293 150 I C -0.700 175.515 176.117 0.163 0.000 0.992 150 I CA -0.606 60.772 61.300 0.129 0.000 1.149 150 I CB 1.283 39.349 38.000 0.110 0.000 1.315 150 I HN 0.641 nan 8.210 nan 0.000 0.446 151 H N 6.568 125.697 119.070 0.097 0.000 2.488 151 H HA 0.515 5.071 4.556 0.000 0.000 0.322 151 H C -1.514 173.882 175.328 0.113 0.000 1.078 151 H CA -0.343 55.788 56.048 0.138 0.000 1.260 151 H CB 1.586 31.432 29.762 0.141 0.000 1.425 151 H HN 0.249 nan 8.280 nan 0.000 0.471 152 V N 4.659 124.567 119.914 -0.010 0.000 2.604 152 V HA 0.320 4.441 4.120 0.000 0.000 0.305 152 V C -0.356 175.742 176.094 0.005 0.000 1.043 152 V CA -0.737 61.572 62.300 0.015 0.000 0.888 152 V CB 1.778 33.582 31.823 -0.032 0.000 0.995 152 V HN 0.896 nan 8.190 nan 0.000 0.429 153 S N 3.051 118.811 115.700 0.100 0.000 2.536 153 S HA 0.836 5.307 4.470 0.000 0.000 0.287 153 S C -1.098 173.542 174.600 0.067 0.000 1.101 153 S CA -0.807 57.502 58.200 0.181 0.000 0.950 153 S CB 2.012 65.481 63.200 0.448 0.000 1.056 153 S HN 0.731 nan 8.310 nan 0.000 0.481 154 V N 2.384 122.318 119.914 0.034 0.000 2.588 154 V HA 0.488 4.608 4.120 0.000 0.000 0.304 154 V C -0.630 175.597 176.094 0.221 0.000 1.042 154 V CA -0.873 61.408 62.300 -0.030 0.000 0.877 154 V CB 1.595 33.234 31.823 -0.307 0.000 0.996 154 V HN 1.073 nan 8.190 nan 0.000 0.425 155 N N 4.407 123.304 118.700 0.330 0.000 2.529 155 N HA 0.525 5.265 4.740 0.000 0.000 0.278 155 N C -1.641 174.131 175.510 0.436 0.000 1.146 155 N CA -0.139 53.171 53.050 0.433 0.000 0.980 155 N CB 1.004 39.675 38.487 0.306 0.000 1.124 155 N HN 0.725 nan 8.380 nan 0.000 0.458 156 Y N -1.205 119.234 120.300 0.231 0.000 2.597 156 Y HA 0.469 5.019 4.550 0.000 0.000 0.340 156 Y C -0.684 175.320 175.900 0.174 0.000 1.097 156 Y CA -1.399 56.781 58.100 0.133 0.000 1.037 156 Y CB 0.638 39.096 38.460 -0.004 0.000 1.305 156 Y HN 0.229 nan 8.280 nan 0.000 0.463 157 R N 1.746 122.380 120.500 0.223 0.000 2.543 157 R HA 0.544 4.884 4.340 0.000 0.000 0.277 157 R C -0.517 175.937 176.300 0.258 0.000 1.074 157 R CA -0.284 55.910 56.100 0.157 0.000 1.076 157 R CB 1.018 31.399 30.300 0.135 0.000 0.993 157 R HN 0.706 nan 8.270 nan 0.000 0.459 158 V N -0.640 119.452 119.914 0.297 0.000 3.126 158 V HA 0.705 4.825 4.120 0.000 0.000 0.314 158 V C 0.550 176.957 176.094 0.522 0.000 1.138 158 V CA -0.600 61.992 62.300 0.486 0.000 1.034 158 V CB 1.616 33.647 31.823 0.347 0.000 1.075 158 V HN 1.026 nan 8.190 nan 0.000 0.442 159 S N 1.249 117.240 115.700 0.484 0.000 3.426 159 S HA -0.273 4.197 4.470 0.000 0.000 0.630 159 S C 1.646 175.953 174.600 -0.488 0.000 2.670 159 S CA 2.225 60.445 58.200 0.033 0.000 3.374 159 S CB -1.827 61.506 63.200 0.222 0.000 0.296 159 S HN 2.797 nan 8.310 nan 0.000 1.445 160 S N 0.890 115.886 115.700 -1.174 0.000 2.383 160 S HA -0.124 4.346 4.470 0.000 0.000 0.229 160 S C 1.860 176.331 174.600 -0.215 0.000 1.030 160 S CA 1.700 59.365 58.200 -0.892 0.000 1.002 160 S CB -0.907 61.757 63.200 -0.894 0.000 0.829 160 S HN 0.672 nan 8.310 nan 0.000 0.467 161 W N 1.616 122.974 121.300 0.097 0.000 2.363 161 W HA 0.147 4.807 4.660 0.000 0.000 0.296 161 W C 2.504 179.113 176.519 0.151 0.000 1.212 161 W CA 0.871 58.331 57.345 0.192 0.000 1.260 161 W CB -1.022 28.470 29.460 0.055 0.000 1.131 161 W HN 0.609 nan 8.180 nan 0.000 0.530 162 G N -2.268 106.701 108.800 0.282 0.000 2.850 162 G HA2 0.080 4.041 3.960 0.000 0.000 0.211 162 G HA3 0.080 4.041 3.960 0.000 0.000 0.211 162 G C 0.272 174.904 174.900 -0.447 0.000 1.124 162 G CA -0.033 45.030 45.100 -0.061 0.000 0.769 162 G HN 0.053 nan 8.290 nan 0.000 0.535 163 F N 0.432 120.506 119.950 0.207 0.000 2.749 163 F HA 0.463 4.990 4.527 0.000 0.000 0.380 163 F C -0.109 175.810 175.800 0.198 0.000 1.365 163 F CA -1.012 57.099 58.000 0.184 0.000 1.186 163 F CB 0.850 39.968 39.000 0.196 0.000 1.080 163 F HN -0.116 nan 8.300 nan 0.000 0.513 164 L N 1.525 122.866 121.223 0.196 0.000 2.380 164 L HA 0.699 5.039 4.340 0.000 0.000 0.273 164 L C 0.234 177.138 176.870 0.056 0.000 1.138 164 L CA 0.194 55.099 54.840 0.108 0.000 0.832 164 L CB 0.419 42.351 42.059 -0.211 0.000 1.124 164 L HN 0.278 nan 8.230 nan 0.000 0.454 165 A N 2.708 125.552 122.820 0.040 0.000 3.120 165 A HA 1.003 5.323 4.320 0.000 0.000 0.213 165 A C 0.137 177.617 177.584 -0.173 0.000 1.202 165 A CA -0.181 51.830 52.037 -0.044 0.000 0.876 165 A CB 0.291 19.285 19.000 -0.011 0.000 1.456 165 A HN 1.656 nan 8.150 nan 0.000 0.530 166 G N -1.506 107.189 108.800 -0.174 0.000 2.592 166 G HA2 0.049 4.009 3.960 0.000 0.000 0.684 166 G HA3 0.049 4.009 3.960 0.000 0.000 0.684 166 G C -0.257 174.468 174.900 -0.292 0.000 1.291 166 G CA 0.289 45.231 45.100 -0.264 0.000 0.891 166 G HN 0.576 nan 8.290 nan 0.000 0.544 167 D N 0.158 120.395 120.400 -0.271 0.000 2.117 167 D HA -0.037 4.603 4.640 0.000 0.000 0.197 167 D C 2.268 178.423 176.300 -0.242 0.000 0.987 167 D CA 1.860 55.739 54.000 -0.203 0.000 0.829 167 D CB -0.014 40.705 40.800 -0.136 0.000 0.961 167 D HN 0.600 nan 8.370 nan 0.000 0.460 168 E N 0.270 120.234 120.200 -0.393 0.000 2.047 168 E HA -0.089 4.261 4.350 0.000 0.000 0.191 168 E C 2.201 178.644 176.600 -0.262 0.000 0.987 168 E CA 0.329 56.535 56.400 -0.323 0.000 0.799 168 E CB -0.035 29.421 29.700 -0.406 0.000 0.752 168 E HN 0.168 nan 8.360 nan 0.000 0.449 169 I N 1.230 121.589 120.570 -0.353 0.000 2.226 169 I HA -0.267 3.903 4.170 0.000 0.000 0.245 169 I C 2.271 178.314 176.117 -0.122 0.000 1.100 169 I CA 1.430 62.609 61.300 -0.201 0.000 1.374 169 I CB -0.800 37.076 38.000 -0.206 0.000 1.057 169 I HN 0.143 nan 8.210 nan 0.000 0.413 170 K N 1.163 121.481 120.400 -0.136 0.000 2.002 170 K HA -0.173 4.147 4.320 0.000 0.000 0.209 170 K C 2.209 178.767 176.600 -0.069 0.000 1.048 170 K CA 1.731 57.965 56.287 -0.088 0.000 0.930 170 K CB -0.098 32.350 32.500 -0.087 0.000 0.714 170 K HN 0.212 nan 8.250 nan 0.000 0.438 171 A N 1.248 124.022 122.820 -0.078 0.000 1.986 171 A HA -0.246 4.074 4.320 0.000 0.000 0.220 171 A C 1.951 179.513 177.584 -0.036 0.000 1.171 171 A CA 2.046 54.050 52.037 -0.054 0.000 0.640 171 A CB -0.569 18.397 19.000 -0.057 0.000 0.811 171 A HN 0.659 nan 8.150 nan 0.000 0.451 172 E N -1.231 118.947 120.200 -0.037 0.000 2.371 172 E HA 0.198 4.548 4.350 0.000 0.000 0.194 172 E C 1.047 177.648 176.600 0.001 0.000 1.012 172 E CA 0.571 56.965 56.400 -0.011 0.000 0.860 172 E CB -0.248 29.451 29.700 -0.001 0.000 0.811 172 E HN 0.762 nan 8.360 nan 0.000 0.502 173 G N 0.673 109.467 108.800 -0.010 0.000 2.182 173 G HA2 -0.237 3.723 3.960 0.000 0.000 0.248 173 G HA3 -0.237 3.723 3.960 0.000 0.000 0.248 173 G C 0.479 175.392 174.900 0.022 0.000 1.042 173 G CA 0.553 45.653 45.100 0.000 0.000 0.775 173 G HN 0.267 nan 8.290 nan 0.000 0.501 174 S N -0.445 115.268 115.700 0.022 0.000 2.602 174 S HA 0.622 5.093 4.470 0.000 0.000 0.240 174 S C 1.260 175.889 174.600 0.049 0.000 0.992 174 S CA 0.482 58.713 58.200 0.052 0.000 0.971 174 S CB 0.659 63.905 63.200 0.076 0.000 0.855 174 S HN 1.499 nan 8.310 nan 0.000 0.481 175 A N 2.366 125.203 122.820 0.029 0.000 2.466 175 A HA 0.379 4.699 4.320 0.000 0.000 0.238 175 A C 0.673 178.308 177.584 0.084 0.000 1.074 175 A CA -0.281 51.779 52.037 0.039 0.000 0.774 175 A CB -0.121 18.887 19.000 0.012 0.000 1.015 175 A HN 0.471 nan 8.150 nan 0.000 0.498 176 N N -0.507 118.258 118.700 0.110 0.000 2.725 176 N HA -0.246 4.494 4.740 0.000 0.000 0.251 176 N C 0.981 176.478 175.510 -0.022 0.000 1.031 176 N CA 0.979 54.105 53.050 0.128 0.000 0.720 176 N CB -1.510 37.153 38.487 0.293 0.000 0.930 176 N HN 0.988 nan 8.380 nan 0.000 0.543 177 A N 0.173 122.920 122.820 -0.121 0.000 1.908 177 A HA -0.043 4.278 4.320 0.000 0.000 0.218 177 A C 2.309 179.798 177.584 -0.158 0.000 1.181 177 A CA 2.189 54.183 52.037 -0.071 0.000 0.627 177 A CB -0.764 18.235 19.000 -0.002 0.000 0.818 177 A HN 0.552 nan 8.150 nan 0.000 0.445 178 G N -0.403 108.091 108.800 -0.511 0.000 2.432 178 G HA2 -0.141 3.819 3.960 0.000 0.000 0.219 178 G HA3 -0.141 3.819 3.960 0.000 0.000 0.219 178 G C 1.516 176.361 174.900 -0.091 0.000 1.135 178 G CA 1.044 45.959 45.100 -0.309 0.000 0.767 178 G HN 0.455 nan 8.290 nan 0.000 0.550 179 L N -0.473 120.696 121.223 -0.090 0.000 2.156 179 L HA 0.066 4.407 4.340 0.000 0.000 0.208 179 L C 2.864 179.624 176.870 -0.184 0.000 1.095 179 L CA 0.864 55.633 54.840 -0.117 0.000 0.770 179 L CB -0.173 41.844 42.059 -0.069 0.000 0.914 179 L HN 0.134 nan 8.230 nan 0.000 0.439 180 K N -0.135 120.239 120.400 -0.043 0.000 2.148 180 K HA -0.149 4.171 4.320 0.000 0.000 0.204 180 K C 1.643 178.263 176.600 0.032 0.000 1.050 180 K CA 1.210 57.511 56.287 0.023 0.000 0.942 180 K CB -0.062 32.531 32.500 0.155 0.000 0.724 180 K HN 0.240 nan 8.250 nan 0.000 0.446 181 D N 1.027 121.467 120.400 0.066 0.000 2.084 181 D HA -0.175 4.465 4.640 0.000 0.000 0.194 181 D C 1.948 178.323 176.300 0.125 0.000 0.990 181 D CA 1.299 55.414 54.000 0.192 0.000 0.826 181 D CB -0.229 40.719 40.800 0.247 0.000 0.971 181 D HN 0.245 nan 8.370 nan 0.000 0.453 182 Q N 0.047 119.818 119.800 -0.048 0.000 2.152 182 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 182 Q C 2.240 178.049 176.000 -0.319 0.000 0.985 182 Q CA 1.240 56.904 55.803 -0.232 0.000 0.863 182 Q CB -0.059 28.501 28.738 -0.297 0.000 0.904 182 Q HN 0.018 nan 8.270 nan 0.000 0.422 183 R N 0.600 120.944 120.500 -0.261 0.000 2.096 183 R HA -0.123 4.217 4.340 0.000 0.000 0.235 183 R C 1.944 178.123 176.300 -0.201 0.000 1.127 183 R CA 0.896 56.813 56.100 -0.305 0.000 0.968 183 R CB -0.503 29.608 30.300 -0.315 0.000 0.861 183 R HN 0.234 nan 8.270 nan 0.000 0.440 184 L N -0.351 120.830 121.223 -0.070 0.000 2.056 184 L HA 0.087 4.428 4.340 0.000 0.000 0.207 184 L C 2.034 178.862 176.870 -0.071 0.000 1.078 184 L CA 2.264 57.120 54.840 0.025 0.000 0.749 184 L CB -1.085 41.122 42.059 0.247 0.000 0.901 184 L HN 0.295 nan 8.230 nan 0.000 0.433 185 G N -0.888 107.711 108.800 -0.335 0.000 2.422 185 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 185 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 185 G C 1.585 176.313 174.900 -0.286 0.000 1.146 185 G CA 1.079 45.788 45.100 -0.653 0.000 0.769 185 G HN 0.385 nan 8.290 nan 0.000 0.547 186 M N -0.136 119.295 119.600 -0.281 0.000 2.086 186 M HA -0.118 4.362 4.480 0.000 0.000 0.261 186 M C 2.841 179.035 176.300 -0.176 0.000 1.067 186 M CA 1.537 56.710 55.300 -0.211 0.000 1.116 186 M CB -0.290 32.156 32.600 -0.257 0.000 1.348 186 M HN 0.249 nan 8.290 nan 0.000 0.407 187 Q N -1.332 118.295 119.800 -0.288 0.000 2.181 187 Q HA -0.249 4.091 4.340 0.000 0.000 0.205 187 Q C 1.762 177.642 176.000 -0.200 0.000 0.980 187 Q CA 1.743 57.219 55.803 -0.545 0.000 0.862 187 Q CB -0.252 28.024 28.738 -0.770 0.000 0.905 187 Q HN 0.669 nan 8.270 nan 0.000 0.429 188 W N -0.038 121.132 121.300 -0.216 0.000 2.418 188 W HA -0.130 4.530 4.660 0.000 0.000 0.292 188 W C 1.707 178.176 176.519 -0.083 0.000 1.213 188 W CA 0.804 58.089 57.345 -0.100 0.000 1.283 188 W CB 0.123 29.523 29.460 -0.101 0.000 1.119 188 W HN -0.178 nan 8.180 nan 0.000 0.542 189 V N 1.262 121.326 119.914 0.251 0.000 2.358 189 V HA -0.289 3.831 4.120 0.000 0.000 0.246 189 V C 2.517 178.610 176.094 -0.001 0.000 1.047 189 V CA 2.062 64.453 62.300 0.150 0.000 1.035 189 V CB -1.553 30.329 31.823 0.100 0.000 0.658 189 V HN 0.315 nan 8.190 nan 0.000 0.452 190 A N -0.025 122.796 122.820 0.002 0.000 1.883 190 A HA -0.267 4.053 4.320 0.000 0.000 0.217 190 A C 1.972 179.570 177.584 0.023 0.000 1.186 190 A CA 2.201 54.268 52.037 0.050 0.000 0.624 190 A CB -0.605 18.494 19.000 0.166 0.000 0.822 190 A HN 0.549 nan 8.150 nan 0.000 0.444 191 D N -0.633 119.756 120.400 -0.018 0.000 2.234 191 D HA -0.035 4.605 4.640 0.000 0.000 0.205 191 D C 1.247 177.404 176.300 -0.238 0.000 0.962 191 D CA 0.907 54.859 54.000 -0.081 0.000 0.855 191 D CB -0.147 40.622 40.800 -0.053 0.000 0.951 191 D HN 0.541 nan 8.370 nan 0.000 0.500 192 N N -0.280 118.172 118.700 -0.414 0.000 2.239 192 N HA 0.024 4.764 4.740 0.000 0.000 0.208 192 N C 1.571 176.978 175.510 -0.171 0.000 1.200 192 N CA -0.179 52.589 53.050 -0.471 0.000 0.895 192 N CB 0.966 38.792 38.487 -1.101 0.000 1.085 192 N HN 0.013 nan 8.380 nan 0.000 0.500 193 I N 2.659 123.184 120.570 -0.076 0.000 2.335 193 I HA -0.197 3.973 4.170 0.000 0.000 0.251 193 I C 2.233 178.431 176.117 0.133 0.000 1.129 193 I CA 0.756 62.126 61.300 0.117 0.000 1.402 193 I CB -0.236 37.805 38.000 0.068 0.000 1.069 193 I HN 0.074 nan 8.210 nan 0.000 0.424 194 A N 0.195 123.031 122.820 0.026 0.000 1.940 194 A HA -0.155 4.165 4.320 0.000 0.000 0.219 194 A C 2.478 180.042 177.584 -0.032 0.000 1.176 194 A CA 1.726 53.764 52.037 0.001 0.000 0.631 194 A CB -1.148 17.834 19.000 -0.029 0.000 0.814 194 A HN 0.493 nan 8.150 nan 0.000 0.446 195 A N -1.684 121.074 122.820 -0.103 0.000 2.070 195 A HA 0.075 4.395 4.320 0.000 0.000 0.220 195 A C 1.658 179.004 177.584 -0.396 0.000 1.159 195 A CA 1.228 53.098 52.037 -0.278 0.000 0.656 195 A CB -0.622 18.117 19.000 -0.435 0.000 0.800 195 A HN 0.505 nan 8.150 nan 0.000 0.453 196 F N -1.541 118.337 119.950 -0.120 0.000 2.749 196 F HA 0.363 4.890 4.527 0.000 0.000 0.300 196 F C 1.829 177.616 175.800 -0.022 0.000 1.103 196 F CA 0.739 58.677 58.000 -0.103 0.000 1.342 196 F CB 0.461 39.396 39.000 -0.109 0.000 1.098 196 F HN 0.344 nan 8.300 nan 0.000 0.586 197 G N 0.090 108.962 108.800 0.121 0.000 2.163 197 G HA2 -0.136 3.824 3.960 0.000 0.000 0.213 197 G HA3 -0.136 3.824 3.960 0.000 0.000 0.213 197 G C 0.538 175.491 174.900 0.088 0.000 0.991 197 G CA -0.365 44.788 45.100 0.088 0.000 0.653 197 G HN 0.681 nan 8.290 nan 0.000 0.518 198 G N -0.614 108.249 108.800 0.105 0.000 2.477 198 G HA2 0.508 4.468 3.960 0.000 0.000 0.304 198 G HA3 0.508 4.468 3.960 0.000 0.000 0.304 198 G C -1.042 173.887 174.900 0.048 0.000 1.175 198 G CA 0.162 45.308 45.100 0.077 0.000 0.907 198 G HN 0.178 nan 8.290 nan 0.000 0.509 199 D N 0.643 121.063 120.400 0.034 0.000 2.392 199 D HA 0.294 4.934 4.640 0.000 0.000 0.228 199 D C -1.220 175.091 176.300 0.019 0.000 1.074 199 D CA -2.283 51.729 54.000 0.020 0.000 0.838 199 D CB 2.162 42.969 40.800 0.011 0.000 1.067 199 D HN 0.044 nan 8.370 nan 0.000 0.511 200 P HA -0.101 nan 4.420 nan 0.000 0.231 200 P C 0.843 178.154 177.300 0.020 0.000 1.158 200 P CA 0.883 63.996 63.100 0.022 0.000 0.763 200 P CB 0.032 31.744 31.700 0.019 0.000 0.805 201 T N -4.479 110.080 114.554 0.009 0.000 3.086 201 T HA 0.193 4.544 4.350 0.000 0.000 0.250 201 T C 1.026 175.723 174.700 -0.005 0.000 1.074 201 T CA -0.065 62.035 62.100 -0.000 0.000 0.988 201 T CB -0.233 68.630 68.868 -0.008 0.000 0.988 201 T HN 0.055 nan 8.240 nan 0.000 0.530 202 K N 1.747 122.147 120.400 0.000 0.000 3.045 202 K HA 0.385 4.706 4.320 0.000 0.000 0.211 202 K C -0.881 175.719 176.600 0.001 0.000 1.141 202 K CA -0.262 56.018 56.287 -0.011 0.000 1.036 202 K CB 1.398 33.889 32.500 -0.016 0.000 0.851 202 K HN 0.201 nan 8.250 nan 0.000 0.462 203 V N 1.434 121.365 119.914 0.028 0.000 2.432 203 V HA 0.182 4.302 4.120 0.000 0.000 0.275 203 V C 0.307 176.449 176.094 0.080 0.000 1.043 203 V CA -0.123 62.210 62.300 0.055 0.000 0.925 203 V CB 1.435 33.309 31.823 0.085 0.000 0.985 203 V HN 0.214 nan 8.190 nan 0.000 0.466 204 T N 6.434 121.015 114.554 0.046 0.000 2.786 204 T HA 0.575 4.926 4.350 0.000 0.000 0.283 204 T C -0.175 174.562 174.700 0.063 0.000 0.992 204 T CA -0.215 61.912 62.100 0.046 0.000 0.954 204 T CB 0.895 69.746 68.868 -0.028 0.000 0.934 204 T HN 0.625 nan 8.240 nan 0.000 0.440 205 I N 1.885 122.461 120.570 0.011 0.000 2.385 205 I HA 0.887 5.057 4.170 0.000 0.000 0.294 205 I C -0.887 175.291 176.117 0.102 0.000 0.988 205 I CA -0.901 60.369 61.300 -0.049 0.000 1.265 205 I CB 0.916 38.673 38.000 -0.405 0.000 1.388 205 I HN 0.530 nan 8.210 nan 0.000 0.480 206 F N 3.228 123.072 119.950 -0.176 0.000 2.641 206 F HA 0.976 5.504 4.527 0.000 0.000 0.308 206 F C -0.536 175.096 175.800 -0.280 0.000 1.105 206 F CA -0.970 56.951 58.000 -0.132 0.000 0.964 206 F CB 1.236 40.239 39.000 0.005 0.000 1.294 206 F HN 0.838 nan 8.300 nan 0.000 0.442 207 G N 1.080 109.604 108.800 -0.461 0.000 2.649 207 G HA2 0.525 4.485 3.960 0.000 0.000 0.290 207 G HA3 0.525 4.485 3.960 0.000 0.000 0.290 207 G C -2.481 172.163 174.900 -0.425 0.000 1.426 207 G CA -0.795 43.690 45.100 -1.026 0.000 0.794 207 G HN 0.877 nan 8.290 nan 0.000 0.483 208 E N 0.063 120.025 120.200 -0.396 0.000 2.248 208 E HA 0.593 4.943 4.350 0.000 0.000 0.267 208 E C 0.536 177.135 176.600 -0.002 0.000 0.877 208 E CA 0.264 56.669 56.400 0.007 0.000 0.759 208 E CB 2.138 31.999 29.700 0.268 0.000 1.182 208 E HN 0.889 nan 8.360 nan 0.000 0.418 209 S N 3.064 118.844 115.700 0.132 0.000 4.140 209 S HA -0.395 4.075 4.470 0.000 0.000 0.618 209 S C 1.482 176.103 174.600 0.035 0.000 1.896 209 S CA 2.273 60.633 58.200 0.267 0.000 4.240 209 S CB -1.669 61.707 63.200 0.294 0.000 0.208 209 S HN 1.010 nan 8.310 nan 0.000 0.487 210 A N 1.093 123.776 122.820 -0.228 0.000 2.019 210 A HA 0.203 4.523 4.320 0.000 0.000 0.219 210 A C 2.450 179.694 177.584 -0.567 0.000 1.164 210 A CA 2.320 53.909 52.037 -0.747 0.000 0.644 210 A CB -1.465 16.734 19.000 -1.336 0.000 0.805 210 A HN 1.592 nan 8.150 nan 0.000 0.449 211 G N -1.272 107.268 108.800 -0.434 0.000 2.448 211 G HA2 -0.081 3.879 3.960 0.000 0.000 0.218 211 G HA3 -0.081 3.879 3.960 0.000 0.000 0.218 211 G C 1.826 176.482 174.900 -0.406 0.000 1.135 211 G CA 1.285 46.071 45.100 -0.525 0.000 0.784 211 G HN 0.542 nan 8.290 nan 0.000 0.543 212 S N -0.014 115.533 115.700 -0.255 0.000 2.377 212 S HA 0.004 4.474 4.470 0.000 0.000 0.223 212 S C 2.468 176.983 174.600 -0.143 0.000 1.030 212 S CA 0.973 59.074 58.200 -0.165 0.000 0.970 212 S CB -0.261 62.914 63.200 -0.042 0.000 0.830 212 S HN 0.343 nan 8.310 nan 0.000 0.473 213 M N 0.873 120.430 119.600 -0.071 0.000 2.279 213 M HA -0.038 4.443 4.480 0.000 0.000 0.264 213 M C 2.287 178.548 176.300 -0.064 0.000 1.062 213 M CA 0.986 56.266 55.300 -0.034 0.000 1.099 213 M CB -0.447 32.224 32.600 0.119 0.000 1.394 213 M HN 0.248 nan 8.290 nan 0.000 0.426 214 S N 0.281 115.926 115.700 -0.090 0.000 2.383 214 S HA -0.084 4.386 4.470 0.000 0.000 0.227 214 S C 1.987 176.445 174.600 -0.237 0.000 1.026 214 S CA 1.010 59.104 58.200 -0.176 0.000 0.981 214 S CB -0.226 62.810 63.200 -0.273 0.000 0.818 214 S HN 0.256 nan 8.310 nan 0.000 0.472 215 V N 1.729 121.511 119.914 -0.219 0.000 2.343 215 V HA -0.189 3.932 4.120 0.000 0.000 0.247 215 V C 2.341 178.307 176.094 -0.214 0.000 1.051 215 V CA 1.973 64.142 62.300 -0.218 0.000 1.036 215 V CB -0.543 31.133 31.823 -0.245 0.000 0.654 215 V HN 0.448 nan 8.190 nan 0.000 0.451 216 M N -0.107 119.349 119.600 -0.240 0.000 2.117 216 M HA -0.179 4.301 4.480 0.000 0.000 0.262 216 M C 2.140 178.346 176.300 -0.155 0.000 1.065 216 M CA 1.979 57.119 55.300 -0.267 0.000 1.114 216 M CB -1.097 31.302 32.600 -0.336 0.000 1.361 216 M HN 0.396 nan 8.290 nan 0.000 0.408 217 C N -0.108 119.089 119.300 -0.171 0.000 2.413 217 C HA -0.162 4.298 4.460 0.000 0.000 0.277 217 C C 2.653 177.585 174.990 -0.097 0.000 1.265 217 C CA 0.945 59.889 59.018 -0.124 0.000 1.752 217 C CB -1.716 25.911 27.740 -0.189 0.000 1.998 217 C HN 0.556 nan 8.230 nan 0.000 0.489 218 H N -0.069 118.970 119.070 -0.052 0.000 2.462 218 H HA 0.094 4.650 4.556 0.000 0.000 0.292 218 H C 2.180 177.630 175.328 0.203 0.000 1.049 218 H CA 1.132 57.153 56.048 -0.045 0.000 1.334 218 H CB -0.202 29.357 29.762 -0.340 0.000 1.404 218 H HN 0.500 nan 8.280 nan 0.000 0.544 219 I N 0.414 121.125 120.570 0.235 0.000 2.546 219 I HA -0.176 3.995 4.170 0.000 0.000 0.255 219 I C 1.819 178.152 176.117 0.360 0.000 1.163 219 I CA 0.720 62.228 61.300 0.347 0.000 1.457 219 I CB 0.084 38.188 38.000 0.174 0.000 1.092 219 I HN 0.129 nan 8.210 nan 0.000 0.434 220 L N -0.961 120.428 121.223 0.276 0.000 2.477 220 L HA 0.019 4.360 4.340 0.000 0.000 0.220 220 L C 1.082 178.116 176.870 0.274 0.000 1.106 220 L CA -0.199 54.796 54.840 0.259 0.000 0.851 220 L CB -0.233 41.923 42.059 0.162 0.000 0.994 220 L HN 0.333 nan 8.230 nan 0.000 0.462 221 W N 3.252 124.608 121.300 0.094 0.000 2.343 221 W HA -0.146 4.515 4.660 0.000 0.000 0.337 221 W C 0.304 176.882 176.519 0.099 0.000 1.320 221 W CA 0.534 57.930 57.345 0.085 0.000 1.290 221 W CB 0.289 29.825 29.460 0.127 0.000 1.206 221 W HN 0.347 nan 8.180 nan 0.000 0.565 222 N N 4.218 122.844 118.700 -0.123 0.000 2.725 222 N HA -0.243 4.497 4.740 0.000 0.000 0.251 222 N C -0.164 175.362 175.510 0.027 0.000 1.031 222 N CA 1.899 54.906 53.050 -0.072 0.000 0.720 222 N CB -1.461 37.069 38.487 0.071 0.000 0.930 222 N HN 0.469 nan 8.380 nan 0.000 0.543 223 D N -1.848 118.561 120.400 0.015 0.000 2.882 223 D HA -0.206 4.434 4.640 0.000 0.000 0.229 223 D C 1.225 177.568 176.300 0.071 0.000 1.167 223 D CA 2.454 56.473 54.000 0.031 0.000 0.759 223 D CB -1.340 39.455 40.800 -0.008 0.000 1.088 223 D HN 0.918 nan 8.370 nan 0.000 0.425 224 G N -0.226 108.665 108.800 0.152 0.000 2.195 224 G HA2 -0.275 3.685 3.960 0.000 0.000 0.224 224 G HA3 -0.275 3.685 3.960 0.000 0.000 0.224 224 G C -0.095 174.901 174.900 0.161 0.000 0.990 224 G CA 0.120 45.334 45.100 0.190 0.000 0.639 224 G HN 0.514 nan 8.290 nan 0.000 0.514 225 D N 1.655 122.140 120.400 0.141 0.000 2.359 225 D HA 0.332 4.972 4.640 0.000 0.000 0.250 225 D C 1.253 177.649 176.300 0.160 0.000 1.264 225 D CA -0.074 53.996 54.000 0.116 0.000 0.911 225 D CB 0.049 40.905 40.800 0.094 0.000 1.056 225 D HN 0.346 nan 8.370 nan 0.000 0.499 226 N N 2.017 120.765 118.700 0.081 0.000 2.279 226 N HA -0.018 4.723 4.740 0.000 0.000 0.226 226 N C -0.305 175.193 175.510 -0.019 0.000 1.126 226 N CA -0.451 52.612 53.050 0.022 0.000 0.846 226 N CB -0.077 38.248 38.487 -0.270 0.000 1.050 226 N HN 0.282 nan 8.380 nan 0.000 0.502 227 T N -2.402 112.180 114.554 0.047 0.000 2.918 227 T HA 0.397 4.747 4.350 0.000 0.000 0.283 227 T C -0.952 173.849 174.700 0.169 0.000 1.001 227 T CA -0.589 61.548 62.100 0.062 0.000 1.041 227 T CB 1.460 70.346 68.868 0.031 0.000 1.028 227 T HN 0.187 nan 8.240 nan 0.000 0.511 228 Y N 0.808 121.113 120.300 0.007 0.000 2.361 228 Y HA 0.373 4.923 4.550 0.000 0.000 0.328 228 Y C 0.149 176.054 175.900 0.010 0.000 1.044 228 Y CA -1.416 56.697 58.100 0.023 0.000 1.085 228 Y CB 1.129 39.604 38.460 0.024 0.000 1.194 228 Y HN 0.986 nan 8.280 nan 0.000 0.438 229 K N 4.569 124.700 120.400 -0.448 0.000 3.069 229 K HA -0.233 4.087 4.320 0.000 0.000 0.267 229 K C 0.915 177.413 176.600 -0.169 0.000 1.082 229 K CA 1.104 57.164 56.287 -0.378 0.000 0.782 229 K CB -1.602 30.575 32.500 -0.538 0.000 1.230 229 K HN 1.501 nan 8.250 nan 0.000 0.488 230 G N -0.650 108.094 108.800 -0.093 0.000 2.225 230 G HA2 -0.339 3.621 3.960 0.000 0.000 0.254 230 G HA3 -0.339 3.621 3.960 0.000 0.000 0.254 230 G C -0.166 174.714 174.900 -0.032 0.000 0.988 230 G CA 0.849 45.918 45.100 -0.051 0.000 0.625 230 G HN 0.311 nan 8.290 nan 0.000 0.527 231 K N 0.721 121.107 120.400 -0.023 0.000 2.259 231 K HA 0.677 4.997 4.320 0.000 0.000 0.249 231 K C -2.815 173.784 176.600 -0.002 0.000 0.942 231 K CA -2.336 53.944 56.287 -0.012 0.000 0.816 231 K CB 1.763 34.258 32.500 -0.008 0.000 1.155 231 K HN -0.016 nan 8.250 nan 0.000 0.428 232 P HA 0.065 nan 4.420 nan 0.000 0.269 232 P C 0.061 177.297 177.300 -0.107 0.000 1.209 232 P CA -0.065 62.960 63.100 -0.125 0.000 0.776 232 P CB 0.484 32.078 31.700 -0.177 0.000 0.876 233 L N 1.901 123.022 121.223 -0.170 0.000 2.418 233 L HA 0.119 4.459 4.340 0.000 0.000 0.218 233 L C 0.339 177.260 176.870 0.084 0.000 1.125 233 L CA 0.770 55.603 54.840 -0.010 0.000 0.835 233 L CB -0.411 41.706 42.059 0.097 0.000 0.953 233 L HN 0.440 nan 8.230 nan 0.000 0.454 234 F N -3.467 116.481 119.950 -0.004 0.000 2.672 234 F HA 0.376 4.903 4.527 0.000 0.000 0.311 234 F C 0.403 176.206 175.800 0.004 0.000 1.113 234 F CA -1.526 56.466 58.000 -0.015 0.000 0.996 234 F CB 0.829 39.809 39.000 -0.033 0.000 1.286 234 F HN -0.181 nan 8.300 nan 0.000 0.441 235 R N 1.283 121.846 120.500 0.104 0.000 2.334 235 R HA 0.833 5.173 4.340 0.000 0.000 0.216 235 R C -0.064 176.296 176.300 0.100 0.000 0.905 235 R CA 0.390 56.511 56.100 0.034 0.000 1.064 235 R CB 0.393 30.680 30.300 -0.022 0.000 1.046 235 R HN 0.940 nan 8.270 nan 0.000 0.508 236 A N -0.426 122.532 122.820 0.229 0.000 2.566 236 A HA 0.734 5.054 4.320 0.000 0.000 0.290 236 A C -1.300 176.438 177.584 0.257 0.000 1.071 236 A CA -0.479 51.690 52.037 0.220 0.000 0.658 236 A CB 1.055 20.035 19.000 -0.034 0.000 1.285 236 A HN 0.244 nan 8.150 nan 0.000 0.427 237 G N -0.493 108.462 108.800 0.257 0.000 2.719 237 G HA2 0.623 4.583 3.960 0.000 0.000 0.298 237 G HA3 0.623 4.583 3.960 0.000 0.000 0.298 237 G C -1.590 173.369 174.900 0.098 0.000 1.411 237 G CA -0.405 44.757 45.100 0.104 0.000 0.991 237 G HN 0.721 nan 8.290 nan 0.000 0.509 238 I N 1.420 121.999 120.570 0.015 0.000 2.418 238 I HA 0.374 4.544 4.170 0.000 0.000 0.287 238 I C -0.247 175.847 176.117 -0.039 0.000 1.008 238 I CA -0.481 60.756 61.300 -0.106 0.000 1.104 238 I CB 2.104 39.888 38.000 -0.359 0.000 1.264 238 I HN 0.219 nan 8.210 nan 0.000 0.438 239 M N 6.309 125.885 119.600 -0.040 0.000 2.044 239 M HA 0.346 4.826 4.480 0.000 0.000 0.333 239 M C -0.801 175.548 176.300 0.082 0.000 1.004 239 M CA -0.335 54.949 55.300 -0.027 0.000 0.954 239 M CB 1.172 33.695 32.600 -0.129 0.000 1.468 239 M HN 0.435 nan 8.290 nan 0.000 0.414 240 Q N 2.073 121.969 119.800 0.160 0.000 2.456 240 Q HA 0.351 4.691 4.340 0.000 0.000 0.234 240 Q C -0.447 175.621 176.000 0.113 0.000 1.061 240 Q CA -0.389 55.573 55.803 0.264 0.000 0.896 240 Q CB 0.839 29.814 28.738 0.394 0.000 1.233 240 Q HN 0.801 nan 8.270 nan 0.000 0.506 241 S N 1.397 117.120 115.700 0.039 0.000 3.734 241 S HA -0.017 4.453 4.470 0.000 0.000 0.531 241 S C -0.041 174.753 174.600 0.324 0.000 0.757 241 S CA 0.291 58.499 58.200 0.014 0.000 1.388 241 S CB -1.250 61.719 63.200 -0.386 0.000 0.878 241 S HN 1.117 nan 8.310 nan 0.000 0.735 242 G N -0.612 108.397 108.800 0.350 0.000 2.326 242 G HA2 0.629 4.590 3.960 0.000 0.000 0.299 242 G HA3 0.629 4.590 3.960 0.000 0.000 0.299 242 G C -0.476 174.437 174.900 0.022 0.000 1.643 242 G CA 0.210 45.504 45.100 0.324 0.000 0.916 242 G HN 1.363 nan 8.290 nan 0.000 0.700 243 A N 2.014 124.789 122.820 -0.075 0.000 3.191 243 A HA 0.955 5.275 4.320 0.000 0.000 0.191 243 A C 0.502 177.928 177.584 -0.263 0.000 1.221 243 A CA -0.138 51.749 52.037 -0.249 0.000 1.399 243 A CB -0.182 18.658 19.000 -0.267 0.000 1.688 243 A HN 1.051 nan 8.150 nan 0.000 0.593 244 M N 0.868 120.265 119.600 -0.339 0.000 2.250 244 M HA 0.316 4.797 4.480 0.000 0.000 0.325 244 M C -0.383 175.791 176.300 -0.210 0.000 1.084 244 M CA 0.452 55.547 55.300 -0.341 0.000 1.161 244 M CB 0.437 32.646 32.600 -0.651 0.000 1.481 244 M HN 0.197 nan 8.290 nan 0.000 0.449 245 V N 4.421 124.224 119.914 -0.185 0.000 2.432 245 V HA 0.303 4.424 4.120 0.000 0.000 0.275 245 V C -1.892 174.069 176.094 -0.222 0.000 1.043 245 V CA -1.262 60.932 62.300 -0.176 0.000 0.925 245 V CB 0.843 32.533 31.823 -0.222 0.000 0.985 245 V HN 0.711 nan 8.190 nan 0.000 0.466 246 P HA 0.183 nan 4.420 nan 0.000 0.231 246 P C -0.361 176.532 177.300 -0.678 0.000 1.811 246 P CA 0.086 62.909 63.100 -0.460 0.000 1.051 246 P CB 0.200 31.892 31.700 -0.015 0.000 1.951 247 S N 0.731 115.928 115.700 -0.839 0.000 2.570 247 S HA 0.510 4.981 4.470 0.000 0.000 0.286 247 S C -0.411 173.998 174.600 -0.318 0.000 1.099 247 S CA -0.844 57.097 58.200 -0.431 0.000 0.913 247 S CB 1.459 64.513 63.200 -0.244 0.000 1.085 247 S HN -0.035 nan 8.310 nan 0.000 0.480 248 D N 1.260 121.656 120.400 -0.006 0.000 2.384 248 D HA 0.556 5.196 4.640 0.000 0.000 0.244 248 D C 0.788 177.102 176.300 0.025 0.000 1.251 248 D CA -0.033 54.027 54.000 0.101 0.000 0.961 248 D CB 0.568 41.473 40.800 0.175 0.000 1.116 248 D HN 0.878 nan 8.370 nan 0.000 0.484 249 A N 0.133 122.973 122.820 0.033 0.000 2.429 249 A HA 0.042 4.363 4.320 0.000 0.000 0.242 249 A C 1.558 179.141 177.584 -0.002 0.000 1.088 249 A CA -0.220 51.819 52.037 0.004 0.000 0.784 249 A CB 0.212 19.213 19.000 0.002 0.000 1.038 249 A HN 0.405 nan 8.150 nan 0.000 0.501 250 V N 0.419 120.322 119.914 -0.019 0.000 2.407 250 V HA -0.143 3.977 4.120 0.000 0.000 0.248 250 V C 1.450 177.522 176.094 -0.038 0.000 1.055 250 V CA 2.788 65.073 62.300 -0.026 0.000 1.049 250 V CB -0.734 31.069 31.823 -0.034 0.000 0.662 250 V HN 0.991 nan 8.190 nan 0.000 0.455 251 D N -0.420 119.958 120.400 -0.038 0.000 2.460 251 D HA 0.215 4.855 4.640 0.000 0.000 0.229 251 D C 0.776 177.070 176.300 -0.011 0.000 1.170 251 D CA 0.447 54.420 54.000 -0.045 0.000 0.827 251 D CB -0.366 40.401 40.800 -0.054 0.000 0.973 251 D HN 0.444 nan 8.370 nan 0.000 0.496 252 G N 0.271 109.079 108.800 0.014 0.000 2.588 252 G HA2 0.241 4.201 3.960 0.000 0.000 0.278 252 G HA3 0.241 4.201 3.960 0.000 0.000 0.278 252 G C 0.883 175.823 174.900 0.066 0.000 1.307 252 G CA -0.661 44.471 45.100 0.053 0.000 1.016 252 G HN 0.223 nan 8.290 nan 0.000 0.503 253 I N -1.529 119.103 120.570 0.104 0.000 2.179 253 I HA -0.160 4.010 4.170 0.000 0.000 0.242 253 I C 2.184 178.391 176.117 0.150 0.000 1.088 253 I CA 1.343 62.706 61.300 0.106 0.000 1.357 253 I CB -0.017 38.042 38.000 0.098 0.000 1.051 253 I HN 0.534 nan 8.210 nan 0.000 0.409 254 Y N 1.387 121.689 120.300 0.004 0.000 2.337 254 Y HA 0.051 4.601 4.550 0.000 0.000 0.293 254 Y C 2.277 178.165 175.900 -0.020 0.000 1.123 254 Y CA 0.971 59.060 58.100 -0.018 0.000 1.201 254 Y CB -0.859 37.583 38.460 -0.030 0.000 1.011 254 Y HN 0.176 nan 8.280 nan 0.000 0.545 255 G N -0.285 108.517 108.800 0.004 0.000 2.418 255 G HA2 -0.329 3.631 3.960 0.000 0.000 0.217 255 G HA3 -0.329 3.631 3.960 0.000 0.000 0.217 255 G C 1.571 176.432 174.900 -0.065 0.000 1.158 255 G CA 1.142 46.200 45.100 -0.070 0.000 0.771 255 G HN 0.442 nan 8.290 nan 0.000 0.545 256 N N -0.278 118.409 118.700 -0.021 0.000 2.300 256 N HA 0.019 4.759 4.740 0.000 0.000 0.179 256 N C 2.137 177.671 175.510 0.039 0.000 1.016 256 N CA 0.596 53.660 53.050 0.023 0.000 0.876 256 N CB 0.050 38.546 38.487 0.015 0.000 0.979 256 N HN 0.385 nan 8.380 nan 0.000 0.432 257 E N 0.387 120.574 120.200 -0.022 0.000 2.051 257 E HA -0.158 4.193 4.350 0.000 0.000 0.192 257 E C 1.601 178.125 176.600 -0.127 0.000 0.991 257 E CA 0.763 57.137 56.400 -0.044 0.000 0.799 257 E CB 0.086 29.791 29.700 0.008 0.000 0.748 257 E HN 0.335 nan 8.360 nan 0.000 0.449 258 I N 0.586 120.989 120.570 -0.279 0.000 2.226 258 I HA -0.234 3.936 4.170 0.000 0.000 0.245 258 I C 2.294 178.334 176.117 -0.129 0.000 1.100 258 I CA 1.099 62.211 61.300 -0.313 0.000 1.374 258 I CB -0.933 36.731 38.000 -0.561 0.000 1.057 258 I HN 0.105 nan 8.210 nan 0.000 0.413 259 F N 2.513 122.356 119.950 -0.180 0.000 2.134 259 F HA -0.251 4.276 4.527 0.000 0.000 0.299 259 F C 2.151 177.888 175.800 -0.105 0.000 1.097 259 F CA 1.824 59.745 58.000 -0.132 0.000 1.264 259 F CB -0.285 38.641 39.000 -0.125 0.000 1.001 259 F HN 0.111 nan 8.300 nan 0.000 0.479 260 D N 0.304 120.648 120.400 -0.093 0.000 2.117 260 D HA -0.151 4.489 4.640 0.000 0.000 0.198 260 D C 2.241 178.426 176.300 -0.191 0.000 0.982 260 D CA 1.248 55.154 54.000 -0.158 0.000 0.828 260 D CB -0.717 40.068 40.800 -0.025 0.000 0.967 260 D HN 0.334 nan 8.370 nan 0.000 0.464 261 L N 0.590 121.722 121.223 -0.151 0.000 2.017 261 L HA -0.112 4.228 4.340 0.000 0.000 0.208 261 L C 2.109 178.899 176.870 -0.133 0.000 1.073 261 L CA 1.355 56.120 54.840 -0.127 0.000 0.745 261 L CB -0.765 41.233 42.059 -0.101 0.000 0.894 261 L HN 0.009 nan 8.230 nan 0.000 0.432 262 L N -0.076 121.048 121.223 -0.165 0.000 2.042 262 L HA -0.121 4.219 4.340 0.000 0.000 0.210 262 L C 2.513 179.249 176.870 -0.223 0.000 1.076 262 L CA 2.120 56.863 54.840 -0.161 0.000 0.749 262 L CB -1.055 40.905 42.059 -0.164 0.000 0.893 262 L HN 0.318 nan 8.230 nan 0.000 0.432 263 A N -1.481 121.119 122.820 -0.366 0.000 1.902 263 A HA -0.203 4.117 4.320 0.000 0.000 0.217 263 A C 2.375 179.850 177.584 -0.182 0.000 1.181 263 A CA 2.059 53.891 52.037 -0.341 0.000 0.623 263 A CB -0.982 17.720 19.000 -0.497 0.000 0.818 263 A HN 0.544 nan 8.150 nan 0.000 0.443 264 S N 0.734 116.343 115.700 -0.152 0.000 2.356 264 S HA -0.175 4.295 4.470 0.000 0.000 0.223 264 S C 1.879 176.439 174.600 -0.067 0.000 1.032 264 S CA 1.452 59.597 58.200 -0.093 0.000 1.005 264 S CB -0.523 62.627 63.200 -0.083 0.000 0.867 264 S HN 0.678 nan 8.310 nan 0.000 0.449 265 N N 2.134 120.795 118.700 -0.065 0.000 2.104 265 N HA -0.031 4.709 4.740 0.000 0.000 0.190 265 N C 1.544 177.036 175.510 -0.029 0.000 1.024 265 N CA 1.361 54.390 53.050 -0.034 0.000 0.853 265 N CB -0.563 37.912 38.487 -0.021 0.000 1.008 265 N HN 0.463 nan 8.380 nan 0.000 0.424 266 A N -0.522 122.269 122.820 -0.048 0.000 2.208 266 A HA 0.400 4.721 4.320 0.000 0.000 0.209 266 A C 1.342 178.914 177.584 -0.020 0.000 1.161 266 A CA 0.857 52.877 52.037 -0.027 0.000 0.782 266 A CB -0.334 18.646 19.000 -0.033 0.000 0.816 266 A HN 0.354 nan 8.150 nan 0.000 0.477 267 G N -2.703 106.078 108.800 -0.031 0.000 2.140 267 G HA2 -0.222 3.738 3.960 0.000 0.000 0.211 267 G HA3 -0.222 3.738 3.960 0.000 0.000 0.211 267 G C 0.321 175.206 174.900 -0.025 0.000 1.013 267 G CA 0.077 45.164 45.100 -0.022 0.000 0.705 267 G HN 0.640 nan 8.290 nan 0.000 0.508 268 c N 0.473 119.045 118.600 -0.046 0.000 3.000 268 c HA 0.524 5.094 4.570 0.000 0.000 0.286 268 c C 2.557 176.614 174.090 -0.055 0.000 1.343 268 c CA 0.372 56.674 56.329 -0.045 0.000 1.742 268 c CB -0.436 42.039 42.510 -0.060 0.000 2.200 268 c HN 0.815 nan 8.230 nan 0.000 0.621 269 G N 1.661 110.427 108.800 -0.056 0.000 2.470 269 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 269 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 269 G C 1.599 176.483 174.900 -0.027 0.000 1.121 269 G CA 1.612 46.681 45.100 -0.051 0.000 0.766 269 G HN 0.652 nan 8.290 nan 0.000 0.553 270 S N -0.489 115.201 115.700 -0.017 0.000 2.535 270 S HA 0.606 5.076 4.470 0.000 0.000 0.214 270 S C 1.232 175.834 174.600 0.004 0.000 0.980 270 S CA 0.394 58.590 58.200 -0.005 0.000 0.907 270 S CB 0.290 63.487 63.200 -0.004 0.000 0.790 270 S HN 0.535 nan 8.310 nan 0.000 0.510 271 A N 2.270 125.093 122.820 0.005 0.000 2.498 271 A HA 0.496 4.816 4.320 0.000 0.000 0.239 271 A C 1.480 179.080 177.584 0.028 0.000 1.068 271 A CA 0.154 52.202 52.037 0.018 0.000 0.766 271 A CB 0.177 19.191 19.000 0.023 0.000 1.003 271 A HN 0.595 nan 8.150 nan 0.000 0.497 272 S N 0.579 116.296 115.700 0.029 0.000 2.414 272 S HA -0.039 4.432 4.470 0.000 0.000 0.227 272 S C 0.421 175.048 174.600 0.045 0.000 1.022 272 S CA 1.095 59.314 58.200 0.032 0.000 0.958 272 S CB -0.037 63.178 63.200 0.025 0.000 0.797 272 S HN 0.758 nan 8.310 nan 0.000 0.493 273 D N 0.850 121.282 120.400 0.053 0.000 2.446 273 D HA 0.359 5.000 4.640 0.000 0.000 0.251 273 D C 0.406 176.763 176.300 0.096 0.000 1.137 273 D CA -0.422 53.621 54.000 0.073 0.000 0.890 273 D CB 1.132 41.970 40.800 0.062 0.000 1.071 273 D HN 0.093 nan 8.370 nan 0.000 0.528 274 K N 1.949 122.431 120.400 0.137 0.000 2.148 274 K HA -0.110 4.210 4.320 0.000 0.000 0.204 274 K C 1.676 178.389 176.600 0.189 0.000 1.050 274 K CA 0.545 56.912 56.287 0.133 0.000 0.942 274 K CB 0.248 32.829 32.500 0.135 0.000 0.724 274 K HN 0.264 nan 8.250 nan 0.000 0.446 275 L N 1.114 122.509 121.223 0.287 0.000 2.046 275 L HA -0.109 4.232 4.340 0.000 0.000 0.208 275 L C 2.176 179.179 176.870 0.222 0.000 1.077 275 L CA 1.687 56.698 54.840 0.285 0.000 0.747 275 L CB -0.677 41.504 42.059 0.202 0.000 0.896 275 L HN 0.112 nan 8.230 nan 0.000 0.432 276 A N -1.947 120.965 122.820 0.153 0.000 2.014 276 A HA -0.229 4.091 4.320 0.000 0.000 0.218 276 A C 2.513 180.161 177.584 0.106 0.000 1.163 276 A CA 1.410 53.518 52.037 0.119 0.000 0.652 276 A CB -1.416 17.634 19.000 0.083 0.000 0.808 276 A HN 0.633 nan 8.150 nan 0.000 0.449 277 c N -0.603 118.055 118.600 0.097 0.000 2.446 277 c HA 0.035 4.606 4.570 0.000 0.000 0.277 277 c C 2.548 176.690 174.090 0.086 0.000 1.275 277 c CA 1.050 57.420 56.329 0.069 0.000 1.727 277 c CB -1.484 41.051 42.510 0.041 0.000 2.010 277 c HN 0.590 nan 8.230 nan 0.000 0.486 278 L N 0.393 121.693 121.223 0.128 0.000 2.191 278 L HA -0.101 4.239 4.340 0.000 0.000 0.212 278 L C 2.906 179.911 176.870 0.224 0.000 1.103 278 L CA 1.395 56.350 54.840 0.192 0.000 0.769 278 L CB -0.588 41.632 42.059 0.268 0.000 0.908 278 L HN 0.361 nan 8.230 nan 0.000 0.438 279 R N -0.470 120.147 120.500 0.194 0.000 2.189 279 R HA -0.043 4.297 4.340 0.000 0.000 0.218 279 R C 2.173 178.500 176.300 0.044 0.000 1.074 279 R CA 0.944 57.090 56.100 0.078 0.000 0.991 279 R CB -0.318 30.028 30.300 0.077 0.000 0.883 279 R HN 0.385 nan 8.270 nan 0.000 0.457 280 G N 1.001 109.838 108.800 0.060 0.000 2.683 280 G HA2 -0.008 3.953 3.960 0.000 0.000 0.213 280 G HA3 -0.008 3.953 3.960 0.000 0.000 0.213 280 G C 0.717 175.641 174.900 0.041 0.000 1.142 280 G CA 0.107 45.233 45.100 0.043 0.000 0.793 280 G HN 0.169 nan 8.290 nan 0.000 0.534 281 V N 0.827 120.771 119.914 0.050 0.000 2.811 281 V HA 0.541 4.662 4.120 0.000 0.000 0.302 281 V C 0.657 176.783 176.094 0.054 0.000 1.063 281 V CA -0.788 61.541 62.300 0.048 0.000 1.088 281 V CB 0.855 32.709 31.823 0.051 0.000 0.982 281 V HN 0.324 nan 8.190 nan 0.000 0.485 282 S N 3.089 118.820 115.700 0.051 0.000 2.596 282 S HA 0.129 4.600 4.470 0.000 0.000 0.260 282 S C 1.217 175.869 174.600 0.087 0.000 1.336 282 S CA 0.264 58.498 58.200 0.056 0.000 0.993 282 S CB 0.711 63.939 63.200 0.046 0.000 0.923 282 S HN 0.983 nan 8.310 nan 0.000 0.567 283 S N 0.884 116.639 115.700 0.092 0.000 2.368 283 S HA -0.129 4.341 4.470 0.000 0.000 0.225 283 S C 1.495 176.189 174.600 0.156 0.000 1.030 283 S CA 1.330 59.616 58.200 0.142 0.000 0.999 283 S CB -0.684 62.565 63.200 0.081 0.000 0.844 283 S HN 0.758 nan 8.310 nan 0.000 0.459 284 D N 1.259 121.720 120.400 0.101 0.000 2.092 284 D HA -0.098 4.542 4.640 0.000 0.000 0.193 284 D C 1.977 178.338 176.300 0.101 0.000 0.994 284 D CA 1.634 55.690 54.000 0.093 0.000 0.828 284 D CB -0.448 40.388 40.800 0.060 0.000 0.963 284 D HN 0.340 nan 8.370 nan 0.000 0.450 285 T N 1.650 116.254 114.554 0.082 0.000 2.720 285 T HA -0.171 4.179 4.350 0.000 0.000 0.268 285 T C 1.933 176.680 174.700 0.078 0.000 1.037 285 T CA 0.561 62.701 62.100 0.067 0.000 1.144 285 T CB -0.309 68.589 68.868 0.050 0.000 0.864 285 T HN 0.004 nan 8.240 nan 0.000 0.444 286 L N 1.270 122.561 121.223 0.113 0.000 2.056 286 L HA 0.052 4.393 4.340 0.000 0.000 0.207 286 L C 2.471 179.419 176.870 0.130 0.000 1.078 286 L CA 1.801 56.700 54.840 0.097 0.000 0.749 286 L CB -0.704 41.449 42.059 0.156 0.000 0.901 286 L HN 0.302 nan 8.230 nan 0.000 0.433 287 E N -1.200 119.182 120.200 0.304 0.000 2.153 287 E HA -0.244 4.106 4.350 0.000 0.000 0.194 287 E C 1.769 178.487 176.600 0.197 0.000 0.988 287 E CA 1.362 57.995 56.400 0.389 0.000 0.811 287 E CB -0.109 29.790 29.700 0.331 0.000 0.746 287 E HN 0.559 nan 8.360 nan 0.000 0.466 288 D N -0.239 120.237 120.400 0.127 0.000 2.084 288 D HA -0.115 4.526 4.640 0.000 0.000 0.196 288 D C 1.907 178.243 176.300 0.060 0.000 0.985 288 D CA 1.270 55.319 54.000 0.082 0.000 0.826 288 D CB -0.006 40.831 40.800 0.062 0.000 0.978 288 D HN 0.292 nan 8.370 nan 0.000 0.456 289 A N 0.385 123.227 122.820 0.038 0.000 1.908 289 A HA -0.177 4.143 4.320 0.000 0.000 0.218 289 A C 2.361 179.955 177.584 0.017 0.000 1.181 289 A CA 2.189 54.233 52.037 0.012 0.000 0.627 289 A CB -0.925 18.062 19.000 -0.022 0.000 0.818 289 A HN 0.222 nan 8.150 nan 0.000 0.445 290 T N 0.742 115.290 114.554 -0.010 0.000 2.746 290 T HA -0.108 4.242 4.350 0.000 0.000 0.267 290 T C 1.596 176.356 174.700 0.101 0.000 1.039 290 T CA 1.410 63.508 62.100 -0.003 0.000 1.142 290 T CB -0.400 68.342 68.868 -0.210 0.000 0.866 290 T HN 0.486 nan 8.240 nan 0.000 0.444 291 N N 1.823 120.586 118.700 0.104 0.000 2.609 291 N HA 0.008 4.748 4.740 0.000 0.000 0.190 291 N C 0.866 176.424 175.510 0.080 0.000 1.157 291 N CA 0.389 53.501 53.050 0.103 0.000 0.918 291 N CB -0.203 38.338 38.487 0.091 0.000 0.978 291 N HN 0.378 nan 8.380 nan 0.000 0.448 292 N N 0.307 119.058 118.700 0.085 0.000 2.273 292 N HA 0.028 4.769 4.740 0.000 0.000 0.231 292 N C -0.255 175.338 175.510 0.139 0.000 1.134 292 N CA 0.146 53.252 53.050 0.093 0.000 0.856 292 N CB 0.811 39.349 38.487 0.084 0.000 1.068 292 N HN 0.228 nan 8.380 nan 0.000 0.510 293 T N -2.248 112.389 114.554 0.138 0.000 2.907 293 T HA 0.500 4.850 4.350 0.000 0.000 0.292 293 T C -3.107 171.670 174.700 0.129 0.000 1.043 293 T CA -2.322 59.875 62.100 0.160 0.000 1.003 293 T CB 2.473 71.422 68.868 0.135 0.000 1.084 293 T HN -0.243 nan 8.240 nan 0.000 0.483 294 P HA 0.292 nan 4.420 nan 0.000 0.264 294 P C 0.376 177.757 177.300 0.134 0.000 1.183 294 P CA 0.236 63.384 63.100 0.080 0.000 0.763 294 P CB 0.212 31.974 31.700 0.104 0.000 0.807 295 G N 1.941 110.803 108.800 0.103 0.000 2.502 295 G HA2 0.335 4.295 3.960 0.000 0.000 0.305 295 G HA3 0.335 4.295 3.960 0.000 0.000 0.305 295 G C 0.397 175.377 174.900 0.133 0.000 1.190 295 G CA -0.759 44.418 45.100 0.129 0.000 0.933 295 G HN 0.521 nan 8.290 nan 0.000 0.503 296 F N -1.149 118.881 119.950 0.133 0.000 2.408 296 F HA 0.127 4.655 4.527 0.000 0.000 0.300 296 F C 1.560 177.435 175.800 0.125 0.000 1.090 296 F CA 0.619 58.684 58.000 0.110 0.000 1.427 296 F CB -0.247 38.821 39.000 0.113 0.000 1.070 296 F HN 0.157 nan 8.300 nan 0.000 0.549 297 L N 0.117 121.233 121.223 -0.179 0.000 2.585 297 L HA 0.421 4.761 4.340 0.000 0.000 0.226 297 L C 1.613 178.496 176.870 0.022 0.000 1.113 297 L CA -0.142 54.664 54.840 -0.056 0.000 0.876 297 L CB -0.496 41.432 42.059 -0.218 0.000 1.072 297 L HN 0.238 nan 8.230 nan 0.000 0.468 298 A N -0.913 121.919 122.820 0.021 0.000 2.327 298 A HA -0.027 4.293 4.320 0.000 0.000 0.255 298 A C 0.839 178.502 177.584 0.132 0.000 1.099 298 A CA -0.116 51.955 52.037 0.055 0.000 0.801 298 A CB -0.049 18.967 19.000 0.027 0.000 1.062 298 A HN 0.261 nan 8.150 nan 0.000 0.496 299 Y N 1.066 121.372 120.300 0.011 0.000 2.173 299 Y HA -0.288 4.262 4.550 0.000 0.000 0.282 299 Y C 2.572 178.561 175.900 0.148 0.000 1.192 299 Y CA 2.565 60.693 58.100 0.047 0.000 1.176 299 Y CB -0.479 37.988 38.460 0.011 0.000 0.969 299 Y HN 0.550 nan 8.280 nan 0.000 0.519 300 S N -0.770 114.994 115.700 0.106 0.000 2.419 300 S HA -0.201 4.269 4.470 0.000 0.000 0.235 300 S C 1.469 176.060 174.600 -0.016 0.000 1.019 300 S CA 0.877 59.085 58.200 0.014 0.000 0.982 300 S CB -0.657 62.591 63.200 0.079 0.000 0.789 300 S HN 0.649 nan 8.310 nan 0.000 0.490 301 S N 0.140 115.875 115.700 0.057 0.000 4.054 301 S HA -0.303 4.167 4.470 0.000 0.000 0.618 301 S C 1.029 175.621 174.600 -0.014 0.000 2.026 301 S CA 1.245 59.487 58.200 0.071 0.000 4.205 301 S CB -1.564 61.712 63.200 0.126 0.000 0.233 301 S HN 0.397 nan 8.310 nan 0.000 0.612 302 L N 2.617 123.781 121.223 -0.098 0.000 2.129 302 L HA 0.010 4.350 4.340 0.000 0.000 0.212 302 L C 1.946 178.776 176.870 -0.066 0.000 1.087 302 L CA 2.374 57.128 54.840 -0.143 0.000 0.757 302 L CB -0.386 41.625 42.059 -0.080 0.000 0.896 302 L HN 0.509 nan 8.230 nan 0.000 0.434 303 R N 1.012 121.457 120.500 -0.093 0.000 3.641 303 R HA 0.080 4.421 4.340 0.000 0.000 0.189 303 R C -0.542 175.784 176.300 0.042 0.000 1.706 303 R CA -0.199 55.839 56.100 -0.102 0.000 1.311 303 R CB -0.817 29.312 30.300 -0.285 0.000 1.330 303 R HN 0.303 nan 8.270 nan 0.000 0.727 304 L N 1.431 122.698 121.223 0.074 0.000 2.461 304 L HA -0.001 4.339 4.340 0.000 0.000 0.272 304 L C 1.500 178.441 176.870 0.117 0.000 1.197 304 L CA -0.068 54.842 54.840 0.116 0.000 0.836 304 L CB 1.242 43.359 42.059 0.096 0.000 1.105 304 L HN 0.473 nan 8.230 nan 0.000 0.477 305 S N 0.486 116.170 115.700 -0.026 0.000 2.414 305 S HA 0.025 4.495 4.470 0.000 0.000 0.227 305 S C -0.408 173.722 174.600 -0.782 0.000 1.022 305 S CA 0.864 58.781 58.200 -0.472 0.000 0.958 305 S CB 0.004 62.817 63.200 -0.645 0.000 0.797 305 S HN 0.406 nan 8.310 nan 0.000 0.493 306 Y N 1.073 121.423 120.300 0.082 0.000 2.386 306 Y HA 0.708 5.258 4.550 0.000 0.000 0.334 306 Y C -0.386 175.459 175.900 -0.091 0.000 1.002 306 Y CA -1.324 56.823 58.100 0.079 0.000 1.068 306 Y CB 1.249 39.839 38.460 0.217 0.000 1.203 306 Y HN 0.031 nan 8.280 nan 0.000 0.443 307 L N 0.316 121.411 121.223 -0.215 0.000 2.947 307 L HA 0.746 5.086 4.340 0.000 0.000 0.267 307 L C -3.394 173.013 176.870 -0.771 0.000 1.004 307 L CA -2.479 51.842 54.840 -0.865 0.000 0.937 307 L CB 2.197 43.941 42.059 -0.526 0.000 1.496 307 L HN 0.151 nan 8.230 nan 0.000 0.409 308 P HA 0.321 nan 4.420 nan 0.000 0.267 308 P C -1.347 175.808 177.300 -0.241 0.000 1.209 308 P CA 0.178 63.024 63.100 -0.424 0.000 0.763 308 P CB 0.513 31.942 31.700 -0.452 0.000 0.816 309 R N 4.444 124.891 120.500 -0.088 0.000 2.686 309 R HA 0.442 4.783 4.340 0.000 0.000 0.286 309 R C -2.650 173.618 176.300 -0.053 0.000 0.969 309 R CA -2.342 53.710 56.100 -0.081 0.000 0.898 309 R CB 1.529 31.803 30.300 -0.044 0.000 1.183 309 R HN 0.257 nan 8.270 nan 0.000 0.456 310 P HA -0.039 nan 4.420 nan 0.000 0.264 310 P C -0.385 176.882 177.300 -0.054 0.000 1.193 310 P CA 0.365 63.431 63.100 -0.057 0.000 0.763 310 P CB 0.555 32.232 31.700 -0.039 0.000 0.810 311 D N 1.430 121.784 120.400 -0.077 0.000 2.433 311 D HA 0.140 4.780 4.640 0.000 0.000 0.211 311 D C 1.372 177.624 176.300 -0.080 0.000 1.114 311 D CA 0.134 54.090 54.000 -0.074 0.000 0.837 311 D CB -0.501 40.250 40.800 -0.082 0.000 0.984 311 D HN 0.493 nan 8.370 nan 0.000 0.505 312 G N -0.153 108.597 108.800 -0.084 0.000 2.189 312 G HA2 -0.327 3.634 3.960 0.000 0.000 0.267 312 G HA3 -0.327 3.634 3.960 0.000 0.000 0.267 312 G C 0.734 175.577 174.900 -0.095 0.000 0.975 312 G CA 0.773 45.828 45.100 -0.075 0.000 0.644 312 G HN 0.596 nan 8.290 nan 0.000 0.537 313 V N -0.786 119.046 119.914 -0.136 0.000 3.134 313 V HA 0.298 4.419 4.120 0.000 0.000 0.222 313 V C 1.833 177.767 176.094 -0.267 0.000 1.247 313 V CA 1.886 64.092 62.300 -0.157 0.000 1.281 313 V CB 0.034 31.785 31.823 -0.120 0.000 1.169 313 V HN 0.283 nan 8.190 nan 0.000 0.512 314 N N -0.226 118.220 118.700 -0.424 0.000 2.409 314 N HA 0.370 5.110 4.740 0.000 0.000 0.174 314 N C 0.078 175.105 175.510 -0.805 0.000 1.037 314 N CA 0.544 53.086 53.050 -0.847 0.000 0.898 314 N CB 0.782 38.416 38.487 -1.420 0.000 1.010 314 N HN 0.389 nan 8.380 nan 0.000 0.445 315 I N 0.961 121.257 120.570 -0.456 0.000 2.521 315 I HA 0.081 4.252 4.170 0.000 0.000 0.277 315 I C 0.823 176.847 176.117 -0.155 0.000 1.054 315 I CA -0.271 60.891 61.300 -0.230 0.000 1.117 315 I CB 1.554 39.473 38.000 -0.134 0.000 1.217 315 I HN 0.102 nan 8.210 nan 0.000 0.469 316 T N 0.052 114.534 114.554 -0.119 0.000 3.035 316 T HA 0.002 4.352 4.350 0.000 0.000 0.268 316 T C 0.420 175.094 174.700 -0.043 0.000 1.109 316 T CA 0.920 62.971 62.100 -0.082 0.000 1.119 316 T CB 0.137 68.963 68.868 -0.069 0.000 0.900 316 T HN 0.535 nan 8.240 nan 0.000 0.503 317 D N -0.265 120.122 120.400 -0.021 0.000 2.713 317 D HA 0.226 4.866 4.640 0.000 0.000 0.306 317 D C -1.769 174.553 176.300 0.038 0.000 1.299 317 D CA -0.748 53.259 54.000 0.011 0.000 0.823 317 D CB 1.241 42.055 40.800 0.024 0.000 1.353 317 D HN 0.022 nan 8.370 nan 0.000 0.447 318 D N 0.983 121.435 120.400 0.087 0.000 2.752 318 D HA -0.114 4.526 4.640 0.000 0.000 0.225 318 D C 1.248 177.637 176.300 0.148 0.000 1.104 318 D CA 0.665 54.768 54.000 0.172 0.000 0.832 318 D CB 0.546 41.507 40.800 0.268 0.000 1.161 318 D HN 0.418 nan 8.370 nan 0.000 0.505 319 M N 3.324 122.979 119.600 0.091 0.000 2.358 319 M HA -0.202 4.278 4.480 0.000 0.000 0.264 319 M C 1.063 177.397 176.300 0.057 0.000 1.064 319 M CA 1.044 56.366 55.300 0.036 0.000 1.093 319 M CB -0.142 32.408 32.600 -0.083 0.000 1.401 319 M HN 0.528 nan 8.290 nan 0.000 0.440 320 Y N -0.255 120.103 120.300 0.097 0.000 2.286 320 Y HA -0.010 4.540 4.550 0.000 0.000 0.293 320 Y C 2.600 178.589 175.900 0.148 0.000 1.124 320 Y CA 1.229 59.389 58.100 0.100 0.000 1.178 320 Y CB -0.687 37.762 38.460 -0.018 0.000 1.010 320 Y HN 0.190 nan 8.280 nan 0.000 0.536 321 A N 0.118 123.099 122.820 0.267 0.000 1.898 321 A HA -0.136 4.184 4.320 0.000 0.000 0.216 321 A C 2.209 179.878 177.584 0.143 0.000 1.181 321 A CA 1.424 53.566 52.037 0.175 0.000 0.620 321 A CB -1.085 17.995 19.000 0.133 0.000 0.819 321 A HN 0.446 nan 8.150 nan 0.000 0.442 322 L N -0.537 120.768 121.223 0.135 0.000 2.042 322 L HA -0.194 4.146 4.340 0.000 0.000 0.210 322 L C 2.527 179.510 176.870 0.188 0.000 1.076 322 L CA 1.265 56.178 54.840 0.121 0.000 0.749 322 L CB -0.649 41.477 42.059 0.113 0.000 0.893 322 L HN 0.250 nan 8.230 nan 0.000 0.432 323 V N -0.387 119.690 119.914 0.273 0.000 2.358 323 V HA -0.251 3.869 4.120 0.000 0.000 0.246 323 V C 2.648 178.963 176.094 0.368 0.000 1.047 323 V CA 1.630 64.199 62.300 0.449 0.000 1.035 323 V CB -0.579 31.474 31.823 0.383 0.000 0.658 323 V HN 0.395 nan 8.190 nan 0.000 0.452 324 R N 0.001 120.625 120.500 0.207 0.000 2.075 324 R HA -0.142 4.198 4.340 0.000 0.000 0.232 324 R C 2.057 178.439 176.300 0.138 0.000 1.126 324 R CA 1.534 57.724 56.100 0.150 0.000 0.963 324 R CB -0.247 30.112 30.300 0.098 0.000 0.858 324 R HN 0.607 nan 8.270 nan 0.000 0.435 325 E N -0.541 119.713 120.200 0.090 0.000 2.511 325 E HA 0.015 4.365 4.350 0.000 0.000 0.196 325 E C 0.727 177.280 176.600 -0.078 0.000 1.066 325 E CA 0.362 56.773 56.400 0.019 0.000 0.871 325 E CB 0.268 29.977 29.700 0.015 0.000 0.863 325 E HN 0.545 nan 8.360 nan 0.000 0.520 326 G N 2.216 110.923 108.800 -0.155 0.000 2.153 326 G HA2 -0.342 3.618 3.960 0.000 0.000 0.252 326 G HA3 -0.342 3.618 3.960 0.000 0.000 0.252 326 G C 0.075 174.486 174.900 -0.815 0.000 0.994 326 G CA 0.160 44.898 45.100 -0.605 0.000 0.698 326 G HN 0.226 nan 8.290 nan 0.000 0.521 327 K N 0.484 120.629 120.400 -0.426 0.000 2.187 327 K HA 0.501 4.821 4.320 0.000 0.000 0.242 327 K C -0.256 176.314 176.600 -0.050 0.000 1.179 327 K CA -0.275 55.885 56.287 -0.211 0.000 1.097 327 K CB -0.062 32.405 32.500 -0.056 0.000 1.634 327 K HN 0.631 nan 8.250 nan 0.000 0.335 328 Y N -2.071 118.324 120.300 0.158 0.000 2.638 328 Y HA 0.595 5.145 4.550 0.000 0.000 0.335 328 Y C -0.731 175.298 175.900 0.215 0.000 1.155 328 Y CA -2.198 56.040 58.100 0.231 0.000 1.046 328 Y CB 0.438 39.117 38.460 0.365 0.000 1.303 328 Y HN 0.107 nan 8.280 nan 0.000 0.460 329 A N 1.195 124.321 122.820 0.510 0.000 2.425 329 A HA 0.377 4.698 4.320 0.000 0.000 0.249 329 A C -0.605 177.244 177.584 0.441 0.000 1.084 329 A CA -0.678 51.572 52.037 0.354 0.000 0.781 329 A CB -0.433 18.720 19.000 0.255 0.000 1.019 329 A HN 0.814 nan 8.150 nan 0.000 0.490 330 N N 1.180 120.049 118.700 0.281 0.000 2.602 330 N HA 0.457 5.197 4.740 0.000 0.000 0.238 330 N C -0.526 175.105 175.510 0.202 0.000 1.084 330 N CA -0.053 53.136 53.050 0.231 0.000 0.952 330 N CB 0.267 38.827 38.487 0.122 0.000 1.244 330 N HN 0.687 nan 8.380 nan 0.000 0.512 331 I N -1.943 118.818 120.570 0.318 0.000 2.969 331 I HA 0.700 4.870 4.170 0.000 0.000 0.307 331 I C -2.759 173.562 176.117 0.339 0.000 1.149 331 I CA -2.902 58.561 61.300 0.272 0.000 1.008 331 I CB 2.653 40.824 38.000 0.285 0.000 1.232 331 I HN 0.075 nan 8.210 nan 0.000 0.435 332 P HA 0.236 nan 4.420 nan 0.000 0.275 332 P C -0.739 176.864 177.300 0.505 0.000 1.227 332 P CA -0.059 63.265 63.100 0.374 0.000 0.781 332 P CB 1.659 33.554 31.700 0.326 0.000 0.906 333 V N 0.955 121.117 119.914 0.413 0.000 3.078 333 V HA 0.661 4.781 4.120 0.000 0.000 0.311 333 V C -0.686 175.401 176.094 -0.013 0.000 1.138 333 V CA -1.103 61.334 62.300 0.228 0.000 1.007 333 V CB 2.356 34.224 31.823 0.076 0.000 1.045 333 V HN 0.346 nan 8.190 nan 0.000 0.432 334 I N 3.161 123.619 120.570 -0.187 0.000 2.498 334 I HA 0.627 4.797 4.170 0.000 0.000 0.290 334 I C -1.071 175.041 176.117 -0.010 0.000 1.032 334 I CA -0.558 60.627 61.300 -0.193 0.000 1.073 334 I CB 2.042 39.773 38.000 -0.448 0.000 1.251 334 I HN 0.729 nan 8.210 nan 0.000 0.426 335 I N 5.133 125.748 120.570 0.075 0.000 2.548 335 I HA 0.718 4.888 4.170 0.000 0.000 0.287 335 I C -0.651 175.380 176.117 -0.143 0.000 1.103 335 I CA 0.033 61.328 61.300 -0.008 0.000 1.049 335 I CB 1.701 39.670 38.000 -0.052 0.000 1.232 335 I HN 0.663 nan 8.210 nan 0.000 0.429 336 G N 5.121 113.646 108.800 -0.458 0.000 2.798 336 G HA2 0.598 4.559 3.960 0.000 0.000 0.286 336 G HA3 0.598 4.559 3.960 0.000 0.000 0.286 336 G C -1.941 172.541 174.900 -0.698 0.000 1.389 336 G CA -0.374 43.980 45.100 -1.244 0.000 0.894 336 G HN 0.511 nan 8.290 nan 0.000 0.488 337 D N -0.965 119.103 120.400 -0.553 0.000 2.570 337 D HA 0.347 4.987 4.640 0.000 0.000 0.244 337 D C -0.828 175.462 176.300 -0.016 0.000 1.178 337 D CA -0.396 53.511 54.000 -0.154 0.000 0.881 337 D CB 2.443 43.245 40.800 0.002 0.000 1.453 337 D HN 0.109 nan 8.370 nan 0.000 0.447 338 Q N 0.890 120.687 119.800 -0.005 0.000 2.222 338 Q HA 0.240 4.580 4.340 0.000 0.000 0.252 338 Q C 0.768 176.805 176.000 0.062 0.000 0.926 338 Q CA -0.291 55.538 55.803 0.043 0.000 0.899 338 Q CB 1.571 30.290 28.738 -0.031 0.000 1.250 338 Q HN 0.538 nan 8.270 nan 0.000 0.441 339 N N 1.145 119.893 118.700 0.081 0.000 2.094 339 N HA -0.155 4.585 4.740 0.000 0.000 0.191 339 N C -0.581 175.074 175.510 0.241 0.000 1.023 339 N CA 0.959 54.078 53.050 0.115 0.000 0.857 339 N CB 0.413 38.960 38.487 0.101 0.000 1.013 339 N HN 0.457 nan 8.380 nan 0.000 0.426 340 D N 0.815 121.313 120.400 0.164 0.000 2.683 340 D HA 0.075 4.715 4.640 0.000 0.000 0.309 340 D C 0.196 176.548 176.300 0.086 0.000 1.238 340 D CA -0.128 53.943 54.000 0.119 0.000 0.936 340 D CB 0.903 41.715 40.800 0.020 0.000 1.001 340 D HN 0.239 nan 8.370 nan 0.000 0.505 341 E N 0.282 120.562 120.200 0.133 0.000 2.268 341 E HA -0.074 4.276 4.350 0.000 0.000 0.195 341 E C 1.764 178.433 176.600 0.116 0.000 0.995 341 E CA 0.425 56.890 56.400 0.109 0.000 0.836 341 E CB 0.272 30.048 29.700 0.126 0.000 0.763 341 E HN 0.389 nan 8.360 nan 0.000 0.491 342 G N 1.166 110.038 108.800 0.120 0.000 3.126 342 G HA2 -0.065 3.895 3.960 0.000 0.000 0.224 342 G HA3 -0.065 3.895 3.960 0.000 0.000 0.224 342 G C 1.511 176.371 174.900 -0.068 0.000 1.142 342 G CA 0.555 45.719 45.100 0.107 0.000 0.759 342 G HN 0.266 nan 8.290 nan 0.000 0.550 343 T N -1.249 113.206 114.554 -0.166 0.000 2.833 343 T HA -0.078 4.272 4.350 0.000 0.000 0.269 343 T C 1.937 176.578 174.700 -0.098 0.000 1.054 343 T CA 0.602 62.584 62.100 -0.196 0.000 1.135 343 T CB -0.345 68.411 68.868 -0.185 0.000 0.869 343 T HN 0.037 nan 8.240 nan 0.000 0.466 344 F N 1.342 121.210 119.950 -0.136 0.000 2.113 344 F HA 0.178 4.705 4.527 0.001 0.000 0.297 344 F C 1.979 177.802 175.800 0.038 0.000 1.103 344 F CA 0.188 58.115 58.000 -0.122 0.000 1.248 344 F CB -0.782 38.045 39.000 -0.287 0.000 0.999 344 F HN 0.091 nan 8.300 nan 0.000 0.475 345 F N -0.083 120.086 119.950 0.364 0.000 2.216 345 F HA 0.001 4.528 4.527 0.000 0.000 0.300 345 F C 2.640 178.576 175.800 0.226 0.000 1.085 345 F CA 0.794 58.965 58.000 0.284 0.000 1.326 345 F CB -1.894 37.278 39.000 0.286 0.000 1.027 345 F HN -0.037 nan 8.300 nan 0.000 0.497 346 G N -0.517 108.480 108.800 0.328 0.000 2.509 346 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 346 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 346 G C 1.626 176.760 174.900 0.391 0.000 1.124 346 G CA 1.292 46.551 45.100 0.265 0.000 0.776 346 G HN 0.442 nan 8.290 nan 0.000 0.547 347 T N -2.033 112.741 114.554 0.366 0.000 3.035 347 T HA 0.021 4.371 4.350 0.000 0.000 0.268 347 T C 2.293 177.087 174.700 0.157 0.000 1.109 347 T CA 1.330 63.566 62.100 0.228 0.000 1.119 347 T CB -0.079 68.892 68.868 0.173 0.000 0.900 347 T HN 0.104 nan 8.240 nan 0.000 0.503 348 S N 1.894 117.705 115.700 0.184 0.000 2.522 348 S HA 0.071 4.542 4.470 0.000 0.000 0.227 348 S C 1.430 176.088 174.600 0.096 0.000 0.986 348 S CA 0.596 58.881 58.200 0.141 0.000 0.929 348 S CB -0.088 63.213 63.200 0.169 0.000 0.769 348 S HN 0.796 nan 8.310 nan 0.000 0.529 349 S N 0.468 116.172 115.700 0.007 0.000 2.668 349 S HA 0.397 4.867 4.470 0.000 0.000 0.244 349 S C 0.522 175.096 174.600 -0.043 0.000 1.140 349 S CA -0.450 57.688 58.200 -0.104 0.000 1.134 349 S CB -0.482 62.306 63.200 -0.687 0.000 0.954 349 S HN 0.262 nan 8.310 nan 0.000 0.490 350 L N 1.790 123.022 121.223 0.015 0.000 2.622 350 L HA 0.046 4.386 4.340 0.000 0.000 0.233 350 L C 1.881 178.738 176.870 -0.022 0.000 1.156 350 L CA 0.336 55.175 54.840 -0.001 0.000 0.866 350 L CB -0.501 41.540 42.059 -0.030 0.000 0.980 350 L HN 0.561 nan 8.230 nan 0.000 0.448 351 N N -0.932 117.754 118.700 -0.024 0.000 2.280 351 N HA -0.016 4.724 4.740 0.000 0.000 0.192 351 N C 0.167 175.654 175.510 -0.039 0.000 1.109 351 N CA 0.034 53.059 53.050 -0.042 0.000 0.855 351 N CB 0.197 38.638 38.487 -0.076 0.000 0.974 351 N HN 0.030 nan 8.380 nan 0.000 0.482 352 V N 2.095 121.982 119.914 -0.045 0.000 2.334 352 V HA 0.239 4.359 4.120 0.000 0.000 0.267 352 V C 1.054 177.127 176.094 -0.035 0.000 1.040 352 V CA 0.077 62.342 62.300 -0.060 0.000 0.866 352 V CB 0.803 32.531 31.823 -0.159 0.000 1.019 352 V HN 0.502 nan 8.190 nan 0.000 0.468 353 T N -0.349 114.195 114.554 -0.017 0.000 2.958 353 T HA 0.130 4.480 4.350 0.000 0.000 0.256 353 T C 0.734 175.441 174.700 0.011 0.000 0.983 353 T CA 0.517 62.618 62.100 0.001 0.000 0.924 353 T CB 0.512 69.379 68.868 -0.001 0.000 1.136 353 T HN 0.649 nan 8.240 nan 0.000 0.506 354 T N -0.688 113.870 114.554 0.008 0.000 2.950 354 T HA 0.462 4.812 4.350 0.000 0.000 0.288 354 T C 0.201 174.916 174.700 0.024 0.000 1.035 354 T CA -0.626 61.486 62.100 0.019 0.000 1.028 354 T CB 1.759 70.638 68.868 0.018 0.000 1.109 354 T HN -0.182 nan 8.240 nan 0.000 0.514 355 D N 0.702 121.127 120.400 0.040 0.000 2.144 355 D HA -0.028 4.612 4.640 0.000 0.000 0.200 355 D C 2.312 178.643 176.300 0.052 0.000 0.978 355 D CA 1.526 55.561 54.000 0.057 0.000 0.833 355 D CB -0.598 40.246 40.800 0.073 0.000 0.961 355 D HN 0.737 nan 8.370 nan 0.000 0.470 356 A N 0.931 123.777 122.820 0.043 0.000 1.902 356 A HA -0.239 4.081 4.320 0.000 0.000 0.217 356 A C 2.153 179.758 177.584 0.034 0.000 1.181 356 A CA 1.465 53.528 52.037 0.042 0.000 0.623 356 A CB -0.612 18.409 19.000 0.034 0.000 0.818 356 A HN 0.209 nan 8.150 nan 0.000 0.443 357 Q N -0.732 119.081 119.800 0.020 0.000 2.079 357 Q HA -0.043 4.297 4.340 0.000 0.000 0.200 357 Q C 2.414 178.405 176.000 -0.015 0.000 0.974 357 Q CA 1.277 57.089 55.803 0.013 0.000 0.840 357 Q CB -0.385 28.355 28.738 0.002 0.000 0.898 357 Q HN 0.682 nan 8.270 nan 0.000 0.430 358 A N 1.256 124.043 122.820 -0.056 0.000 1.933 358 A HA -0.235 4.085 4.320 0.000 0.000 0.218 358 A C 2.017 179.461 177.584 -0.234 0.000 1.175 358 A CA 1.621 53.532 52.037 -0.210 0.000 0.628 358 A CB -0.494 18.432 19.000 -0.123 0.000 0.814 358 A HN 0.242 nan 8.150 nan 0.000 0.444 359 R N -0.611 119.900 120.500 0.018 0.000 2.092 359 R HA -0.165 4.176 4.340 0.000 0.000 0.231 359 R C 2.037 178.403 176.300 0.110 0.000 1.119 359 R CA 1.761 57.948 56.100 0.145 0.000 0.970 359 R CB -0.154 30.228 30.300 0.137 0.000 0.864 359 R HN 0.487 nan 8.270 nan 0.000 0.440 360 E N -0.628 119.609 120.200 0.061 0.000 2.158 360 E HA -0.169 4.181 4.350 0.000 0.000 0.191 360 E C 1.479 178.114 176.600 0.057 0.000 0.982 360 E CA 0.864 57.301 56.400 0.062 0.000 0.823 360 E CB -0.322 29.416 29.700 0.064 0.000 0.766 360 E HN 0.423 nan 8.360 nan 0.000 0.468 361 Y N -0.121 120.104 120.300 -0.125 0.000 2.163 361 Y HA -0.149 4.401 4.550 0.000 0.000 0.288 361 Y C 1.514 177.301 175.900 -0.188 0.000 1.136 361 Y CA 1.531 59.513 58.100 -0.197 0.000 1.147 361 Y CB -0.491 37.772 38.460 -0.329 0.000 0.987 361 Y HN 0.038 nan 8.280 nan 0.000 0.509 362 F N 0.543 120.407 119.950 -0.145 0.000 2.134 362 F HA -0.120 4.407 4.527 0.000 0.000 0.299 362 F C 2.426 178.107 175.800 -0.198 0.000 1.097 362 F CA 1.636 59.525 58.000 -0.185 0.000 1.264 362 F CB -1.065 38.031 39.000 0.159 0.000 1.001 362 F HN -0.031 nan 8.300 nan 0.000 0.479 363 K N 0.062 120.520 120.400 0.097 0.000 2.097 363 K HA -0.179 4.141 4.320 0.000 0.000 0.206 363 K C 2.093 178.624 176.600 -0.114 0.000 1.049 363 K CA 1.272 57.572 56.287 0.022 0.000 0.933 363 K CB -0.168 32.355 32.500 0.040 0.000 0.717 363 K HN 0.286 nan 8.250 nan 0.000 0.442 364 Q N -0.795 118.900 119.800 -0.175 0.000 2.119 364 Q HA -0.074 4.266 4.340 0.000 0.000 0.201 364 Q C 2.035 177.800 176.000 -0.393 0.000 0.972 364 Q CA 1.543 57.216 55.803 -0.216 0.000 0.847 364 Q CB 0.176 28.827 28.738 -0.145 0.000 0.903 364 Q HN 0.232 nan 8.270 nan 0.000 0.433 365 S N 0.100 115.415 115.700 -0.643 0.000 2.387 365 S HA -0.012 4.458 4.470 0.000 0.000 0.226 365 S C 0.122 174.153 174.600 -0.949 0.000 1.026 365 S CA 0.697 58.321 58.200 -0.960 0.000 0.972 365 S CB 0.120 62.442 63.200 -1.464 0.000 0.814 365 S HN 0.172 nan 8.310 nan 0.000 0.477 366 F N 1.461 121.311 119.950 -0.167 0.000 2.366 366 F HA 0.340 4.868 4.527 0.000 0.000 0.357 366 F C 1.041 176.684 175.800 -0.261 0.000 1.107 366 F CA -1.738 56.156 58.000 -0.178 0.000 1.208 366 F CB 0.099 39.033 39.000 -0.109 0.000 1.464 366 F HN -0.111 nan 8.300 nan 0.000 0.501 367 V N -1.459 118.302 119.914 -0.255 0.000 2.720 367 V HA -0.215 3.905 4.120 0.000 0.000 0.256 367 V C 1.498 177.381 176.094 -0.351 0.000 1.082 367 V CA 1.826 63.922 62.300 -0.340 0.000 1.101 367 V CB -0.734 30.834 31.823 -0.425 0.000 0.693 367 V HN 0.651 nan 8.190 nan 0.000 0.479 368 H N 0.831 119.836 119.070 -0.109 0.000 2.539 368 H HA 0.607 5.163 4.556 0.000 0.000 0.269 368 H C 1.056 176.226 175.328 -0.263 0.000 0.980 368 H CA 0.466 56.413 56.048 -0.168 0.000 1.152 368 H CB 0.075 29.724 29.762 -0.189 0.000 1.407 368 H HN 0.622 nan 8.280 nan 0.000 0.564 369 A N 1.998 124.688 122.820 -0.216 0.000 2.289 369 A HA 0.380 4.700 4.320 0.000 0.000 0.298 369 A C 0.821 178.307 177.584 -0.162 0.000 1.208 369 A CA -0.435 51.400 52.037 -0.338 0.000 0.845 369 A CB 0.435 19.141 19.000 -0.490 0.000 1.125 369 A HN 0.335 nan 8.150 nan 0.000 0.517 370 S N 1.866 117.480 115.700 -0.142 0.000 2.624 370 S HA 0.142 4.612 4.470 0.000 0.000 0.263 370 S C 0.411 174.994 174.600 -0.029 0.000 1.287 370 S CA -0.143 58.016 58.200 -0.068 0.000 0.990 370 S CB 0.621 63.785 63.200 -0.060 0.000 0.950 370 S HN 0.640 nan 8.310 nan 0.000 0.561 371 D N 1.167 121.565 120.400 -0.004 0.000 2.144 371 D HA -0.093 4.547 4.640 0.000 0.000 0.199 371 D C 2.222 178.541 176.300 0.033 0.000 0.984 371 D CA 1.662 55.676 54.000 0.025 0.000 0.834 371 D CB -0.640 40.174 40.800 0.024 0.000 0.955 371 D HN 0.708 nan 8.370 nan 0.000 0.465 372 A N 1.401 124.232 122.820 0.017 0.000 1.883 372 A HA -0.229 4.091 4.320 0.000 0.000 0.217 372 A C 2.087 179.692 177.584 0.035 0.000 1.186 372 A CA 1.554 53.605 52.037 0.023 0.000 0.624 372 A CB -0.554 18.452 19.000 0.009 0.000 0.822 372 A HN 0.215 nan 8.150 nan 0.000 0.444 373 E N -0.435 119.780 120.200 0.024 0.000 2.106 373 E HA -0.133 4.217 4.350 0.000 0.000 0.192 373 E C 1.875 178.554 176.600 0.131 0.000 0.984 373 E CA 0.977 57.417 56.400 0.065 0.000 0.806 373 E CB -0.208 29.485 29.700 -0.011 0.000 0.750 373 E HN 0.526 nan 8.360 nan 0.000 0.458 374 I N 1.887 122.521 120.570 0.106 0.000 2.226 374 I HA -0.222 3.948 4.170 0.000 0.000 0.245 374 I C 1.699 177.899 176.117 0.137 0.000 1.100 374 I CA 1.377 62.770 61.300 0.156 0.000 1.374 374 I CB -0.901 37.198 38.000 0.165 0.000 1.057 374 I HN 0.064 nan 8.210 nan 0.000 0.413 375 D N 0.407 120.870 120.400 0.105 0.000 2.144 375 D HA -0.104 4.537 4.640 0.000 0.000 0.200 375 D C 2.170 178.519 176.300 0.082 0.000 0.978 375 D CA 1.311 55.368 54.000 0.095 0.000 0.833 375 D CB -0.094 40.749 40.800 0.073 0.000 0.961 375 D HN 0.267 nan 8.370 nan 0.000 0.470 376 T N 1.306 115.901 114.554 0.069 0.000 2.777 376 T HA -0.125 4.225 4.350 0.000 0.000 0.266 376 T C 1.924 176.654 174.700 0.049 0.000 1.040 376 T CA 0.418 62.548 62.100 0.050 0.000 1.141 376 T CB -0.276 68.616 68.868 0.040 0.000 0.868 376 T HN 0.035 nan 8.240 nan 0.000 0.444 377 L N 1.111 122.362 121.223 0.048 0.000 2.042 377 L HA 0.061 4.402 4.340 0.000 0.000 0.210 377 L C 2.107 179.039 176.870 0.105 0.000 1.076 377 L CA 1.783 56.628 54.840 0.008 0.000 0.749 377 L CB -0.642 41.339 42.059 -0.131 0.000 0.893 377 L HN 0.256 nan 8.230 nan 0.000 0.432 378 M N -1.927 117.748 119.600 0.124 0.000 2.659 378 M HA -0.046 4.434 4.480 0.000 0.000 0.243 378 M C 1.405 177.799 176.300 0.157 0.000 1.111 378 M CA 0.867 56.283 55.300 0.194 0.000 1.070 378 M CB -0.418 32.322 32.600 0.233 0.000 1.525 378 M HN 0.246 nan 8.290 nan 0.000 0.517 379 T N 0.211 114.830 114.554 0.107 0.000 3.033 379 T HA 0.179 4.529 4.350 0.000 0.000 0.248 379 T C 1.973 176.692 174.700 0.031 0.000 1.040 379 T CA 0.883 63.024 62.100 0.069 0.000 1.133 379 T CB 0.130 69.027 68.868 0.048 0.000 0.895 379 T HN 0.420 nan 8.240 nan 0.000 0.465 380 A N 0.652 123.477 122.820 0.007 0.000 1.930 380 A HA 0.042 4.362 4.320 0.000 0.000 0.217 380 A C 0.284 177.682 177.584 -0.310 0.000 1.175 380 A CA 1.029 52.979 52.037 -0.146 0.000 0.627 380 A CB -0.479 18.429 19.000 -0.152 0.000 0.815 380 A HN 0.573 nan 8.150 nan 0.000 0.443 381 Y N 0.624 120.944 120.300 0.033 0.000 2.805 381 Y HA 0.338 4.888 4.550 0.000 0.000 0.339 381 Y C -2.392 173.569 175.900 0.102 0.000 1.012 381 Y CA -3.104 55.041 58.100 0.076 0.000 1.262 381 Y CB 0.821 39.321 38.460 0.067 0.000 1.100 381 Y HN 0.184 nan 8.280 nan 0.000 0.559 382 P HA 0.056 nan 4.420 nan 0.000 0.272 382 P C 0.871 178.267 177.300 0.160 0.000 1.240 382 P CA 0.128 63.316 63.100 0.146 0.000 0.791 382 P CB 1.449 33.206 31.700 0.095 0.000 0.978 383 G N 0.299 109.180 108.800 0.134 0.000 2.534 383 G HA2 -0.157 3.804 3.960 0.000 0.000 0.217 383 G HA3 -0.157 3.804 3.960 0.000 0.000 0.217 383 G C 0.508 175.470 174.900 0.103 0.000 1.128 383 G CA 0.171 45.344 45.100 0.122 0.000 0.784 383 G HN 0.560 nan 8.290 nan 0.000 0.542 384 D N 1.314 121.771 120.400 0.095 0.000 2.536 384 D HA -0.087 4.553 4.640 0.000 0.000 0.260 384 D C 2.094 178.447 176.300 0.088 0.000 1.270 384 D CA -0.154 53.895 54.000 0.082 0.000 0.934 384 D CB -0.156 40.689 40.800 0.076 0.000 1.129 384 D HN 0.423 nan 8.370 nan 0.000 0.533 385 I N 1.434 122.051 120.570 0.078 0.000 2.623 385 I HA -0.249 3.921 4.170 0.000 0.000 0.261 385 I C 1.595 177.756 176.117 0.074 0.000 1.204 385 I CA 1.537 62.883 61.300 0.077 0.000 1.444 385 I CB -0.825 37.218 38.000 0.071 0.000 1.094 385 I HN 0.378 nan 8.210 nan 0.000 0.451 386 T N -2.104 112.495 114.554 0.075 0.000 3.055 386 T HA 0.004 4.354 4.350 0.000 0.000 0.265 386 T C 1.755 176.518 174.700 0.106 0.000 1.111 386 T CA 0.497 62.644 62.100 0.078 0.000 1.118 386 T CB -0.145 68.763 68.868 0.067 0.000 0.909 386 T HN 0.449 nan 8.240 nan 0.000 0.501 387 Q N 1.042 120.914 119.800 0.119 0.000 2.354 387 Q HA 0.280 4.620 4.340 0.000 0.000 0.203 387 Q C 1.478 177.628 176.000 0.250 0.000 0.933 387 Q CA 0.561 56.466 55.803 0.169 0.000 0.901 387 Q CB -0.235 28.589 28.738 0.144 0.000 1.007 387 Q HN 0.670 nan 8.270 nan 0.000 0.495 388 G N 0.490 109.375 108.800 0.141 0.000 2.563 388 G HA2 0.249 4.209 3.960 0.000 0.000 0.283 388 G HA3 0.249 4.209 3.960 0.000 0.000 0.283 388 G C -0.745 173.947 174.900 -0.347 0.000 1.309 388 G CA -0.351 44.758 45.100 0.015 0.000 1.022 388 G HN 0.098 nan 8.290 nan 0.000 0.501 389 S N -0.023 115.241 115.700 -0.727 0.000 2.508 389 S HA 0.529 4.999 4.470 0.000 0.000 0.284 389 S C -2.504 171.774 174.600 -0.537 0.000 1.192 389 S CA -1.329 56.232 58.200 -1.065 0.000 1.070 389 S CB 1.276 63.758 63.200 -1.197 0.000 1.004 389 S HN 0.204 nan 8.310 nan 0.000 0.493 390 P HA 0.053 nan 4.420 nan 0.000 0.258 390 P C -0.813 176.368 177.300 -0.199 0.000 1.187 390 P CA 0.173 63.133 63.100 -0.233 0.000 0.767 390 P CB -0.138 31.534 31.700 -0.046 0.000 0.770 391 F N 2.819 122.777 119.950 0.014 0.000 2.563 391 F HA 0.005 4.532 4.527 0.000 0.000 0.363 391 F C 1.434 177.241 175.800 0.011 0.000 1.123 391 F CA 0.808 58.813 58.000 0.009 0.000 1.307 391 F CB -0.232 38.756 39.000 -0.020 0.000 1.115 391 F HN 0.433 nan 8.300 nan 0.000 0.592 392 D N 0.202 120.737 120.400 0.225 0.000 2.800 392 D HA -0.169 4.471 4.640 0.000 0.000 0.232 392 D C 0.816 177.169 176.300 0.089 0.000 1.137 392 D CA 1.268 55.346 54.000 0.129 0.000 0.718 392 D CB -1.551 39.311 40.800 0.103 0.000 1.084 392 D HN 0.737 nan 8.370 nan 0.000 0.432 393 T N -3.423 111.178 114.554 0.078 0.000 3.174 393 T HA 0.490 4.840 4.350 0.000 0.000 0.269 393 T C 1.332 176.063 174.700 0.052 0.000 1.017 393 T CA 0.608 62.742 62.100 0.056 0.000 0.899 393 T CB 1.016 69.912 68.868 0.047 0.000 1.077 393 T HN 0.642 nan 8.240 nan 0.000 0.552 394 G N 3.542 112.377 108.800 0.057 0.000 2.611 394 G HA2 -0.371 3.590 3.960 0.000 0.000 0.301 394 G HA3 -0.371 3.590 3.960 0.000 0.000 0.301 394 G C 0.747 175.677 174.900 0.050 0.000 1.233 394 G CA 0.535 45.666 45.100 0.052 0.000 0.993 394 G HN 1.158 nan 8.290 nan 0.000 0.553 395 I N -0.084 120.512 120.570 0.043 0.000 3.735 395 I HA 0.496 4.667 4.170 0.000 0.000 0.310 395 I C 0.931 177.072 176.117 0.041 0.000 1.270 395 I CA -0.271 61.054 61.300 0.042 0.000 1.207 395 I CB -0.387 37.634 38.000 0.035 0.000 1.013 395 I HN 0.261 nan 8.210 nan 0.000 0.452 396 L N 1.765 123.013 121.223 0.041 0.000 2.456 396 L HA 0.363 4.703 4.340 0.000 0.000 0.257 396 L C 0.572 177.475 176.870 0.055 0.000 1.162 396 L CA -0.555 54.308 54.840 0.038 0.000 0.808 396 L CB 0.177 42.256 42.059 0.033 0.000 1.136 396 L HN 0.305 nan 8.230 nan 0.000 0.466 397 N N -0.145 118.585 118.700 0.049 0.000 2.818 397 N HA -0.159 4.581 4.740 0.000 0.000 0.250 397 N C -0.100 175.480 175.510 0.118 0.000 1.108 397 N CA 0.948 54.047 53.050 0.080 0.000 0.745 397 N CB -1.036 37.540 38.487 0.148 0.000 1.104 397 N HN 0.747 nan 8.380 nan 0.000 0.557 398 A N 0.917 123.776 122.820 0.065 0.000 3.091 398 A HA 0.358 4.678 4.320 0.000 0.000 0.264 398 A C 1.698 179.290 177.584 0.013 0.000 1.673 398 A CA -0.424 51.657 52.037 0.074 0.000 1.362 398 A CB -0.377 18.655 19.000 0.054 0.000 1.137 398 A HN 0.327 nan 8.150 nan 0.000 0.617 399 L N 0.483 121.674 121.223 -0.054 0.000 2.042 399 L HA -0.066 4.274 4.340 0.000 0.000 0.210 399 L C 1.525 178.353 176.870 -0.070 0.000 1.076 399 L CA 1.817 56.553 54.840 -0.174 0.000 0.749 399 L CB -1.054 40.715 42.059 -0.484 0.000 0.893 399 L HN 0.787 nan 8.230 nan 0.000 0.432 400 T N -6.198 108.367 114.554 0.019 0.000 2.787 400 T HA 0.363 4.713 4.350 0.000 0.000 0.297 400 T C -2.486 172.262 174.700 0.080 0.000 1.221 400 T CA -1.277 60.846 62.100 0.039 0.000 1.006 400 T CB 1.798 70.691 68.868 0.041 0.000 1.328 400 T HN -0.328 nan 8.240 nan 0.000 0.509 401 P HA 0.123 nan 4.420 nan 0.000 0.237 401 P C 0.869 178.221 177.300 0.086 0.000 1.178 401 P CA 0.563 63.704 63.100 0.069 0.000 0.766 401 P CB 0.158 31.888 31.700 0.050 0.000 0.876 402 Q N -3.072 116.786 119.800 0.096 0.000 2.245 402 Q HA 0.152 4.493 4.340 0.000 0.000 0.236 402 Q C 1.460 177.533 176.000 0.122 0.000 0.842 402 Q CA -0.113 55.746 55.803 0.094 0.000 0.945 402 Q CB -0.581 28.184 28.738 0.046 0.000 1.122 402 Q HN 0.248 nan 8.270 nan 0.000 0.506 403 F N 3.265 123.219 119.950 0.007 0.000 2.043 403 F HA -0.263 4.264 4.527 0.000 0.000 0.297 403 F C 1.843 177.651 175.800 0.014 0.000 1.118 403 F CA 1.932 59.933 58.000 0.002 0.000 1.202 403 F CB 0.057 39.046 39.000 -0.018 0.000 0.965 403 F HN -0.097 nan 8.300 nan 0.000 0.482 404 K N -0.147 120.141 120.400 -0.187 0.000 2.097 404 K HA -0.214 4.106 4.320 0.000 0.000 0.206 404 K C 2.369 178.869 176.600 -0.166 0.000 1.049 404 K CA 1.550 57.653 56.287 -0.307 0.000 0.933 404 K CB -0.368 32.082 32.500 -0.084 0.000 0.717 404 K HN 0.328 nan 8.250 nan 0.000 0.442 405 R N 1.394 121.893 120.500 -0.002 0.000 2.061 405 R HA -0.084 4.256 4.340 0.000 0.000 0.230 405 R C 2.271 178.651 176.300 0.134 0.000 1.140 405 R CA 1.344 57.519 56.100 0.124 0.000 0.940 405 R CB -0.270 30.141 30.300 0.184 0.000 0.839 405 R HN 0.106 nan 8.270 nan 0.000 0.429 406 I N 0.787 121.435 120.570 0.130 0.000 2.264 406 I HA -0.261 3.910 4.170 0.000 0.000 0.248 406 I C 2.255 178.436 176.117 0.107 0.000 1.111 406 I CA 1.293 62.719 61.300 0.211 0.000 1.382 406 I CB -0.134 37.955 38.000 0.149 0.000 1.060 406 I HN 0.212 nan 8.210 nan 0.000 0.418 407 S N 0.591 116.226 115.700 -0.109 0.000 2.382 407 S HA -0.135 4.335 4.470 0.000 0.000 0.228 407 S C 2.217 176.785 174.600 -0.054 0.000 1.027 407 S CA 1.241 59.338 58.200 -0.172 0.000 0.991 407 S CB -0.277 62.576 63.200 -0.578 0.000 0.823 407 S HN 0.554 nan 8.310 nan 0.000 0.469 408 A N 1.106 123.898 122.820 -0.047 0.000 1.898 408 A HA -0.000 4.320 4.320 0.000 0.000 0.216 408 A C 2.324 179.945 177.584 0.060 0.000 1.181 408 A CA 1.304 53.427 52.037 0.142 0.000 0.620 408 A CB -0.815 18.390 19.000 0.342 0.000 0.819 408 A HN 0.331 nan 8.150 nan 0.000 0.442 409 V N -0.144 119.638 119.914 -0.221 0.000 2.237 409 V HA -0.220 3.900 4.120 0.000 0.000 0.245 409 V C 2.492 178.509 176.094 -0.127 0.000 1.046 409 V CA 1.870 63.851 62.300 -0.532 0.000 1.007 409 V CB -0.843 30.693 31.823 -0.478 0.000 0.638 409 V HN 0.461 nan 8.190 nan 0.000 0.445 410 L N 1.140 122.435 121.223 0.119 0.000 2.042 410 L HA -0.110 4.230 4.340 0.000 0.000 0.210 410 L C 2.527 179.651 176.870 0.423 0.000 1.076 410 L CA 2.389 57.403 54.840 0.289 0.000 0.749 410 L CB -1.720 40.590 42.059 0.418 0.000 0.893 410 L HN 0.397 nan 8.230 nan 0.000 0.432 411 G N -1.707 107.365 108.800 0.453 0.000 2.422 411 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 411 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 411 G C 1.276 176.510 174.900 0.556 0.000 1.140 411 G CA 0.637 46.099 45.100 0.603 0.000 0.775 411 G HN 0.318 nan 8.290 nan 0.000 0.545 412 D N -0.059 120.572 120.400 0.385 0.000 2.110 412 D HA -0.045 4.595 4.640 0.000 0.000 0.202 412 D C 2.378 178.876 176.300 0.330 0.000 0.975 412 D CA 0.381 54.606 54.000 0.374 0.000 0.839 412 D CB -0.328 40.679 40.800 0.345 0.000 0.996 412 D HN 0.205 nan 8.370 nan 0.000 0.464 413 L N 0.527 121.834 121.223 0.141 0.000 2.017 413 L HA 0.034 4.374 4.340 0.000 0.000 0.208 413 L C 2.032 178.986 176.870 0.141 0.000 1.073 413 L CA 2.181 57.070 54.840 0.081 0.000 0.745 413 L CB -0.868 41.081 42.059 -0.185 0.000 0.894 413 L HN 0.079 nan 8.230 nan 0.000 0.432 414 G N -2.462 106.353 108.800 0.024 0.000 2.511 414 G HA2 -0.062 3.898 3.960 0.000 0.000 0.217 414 G HA3 -0.062 3.898 3.960 0.000 0.000 0.217 414 G C 0.743 175.167 174.900 -0.792 0.000 1.133 414 G CA 1.012 45.858 45.100 -0.424 0.000 0.792 414 G HN 0.488 nan 8.290 nan 0.000 0.539 415 F N -1.197 118.923 119.950 0.283 0.000 1.835 415 F HA 0.170 4.697 4.527 0.000 0.000 0.231 415 F C 2.551 178.478 175.800 0.213 0.000 1.216 415 F CA 0.510 58.649 58.000 0.231 0.000 1.310 415 F CB -0.516 38.636 39.000 0.254 0.000 1.827 415 F HN -0.139 nan 8.300 nan 0.000 0.352 416 T N 2.478 117.326 114.554 0.489 0.000 2.653 416 T HA -0.170 4.180 4.350 0.000 0.000 0.268 416 T C 1.948 176.871 174.700 0.371 0.000 1.035 416 T CA 1.934 64.267 62.100 0.390 0.000 1.154 416 T CB -0.528 68.589 68.868 0.416 0.000 0.862 416 T HN 0.114 nan 8.240 nan 0.000 0.441 417 L N 0.146 121.636 121.223 0.446 0.000 2.354 417 L HA 0.242 4.583 4.340 0.000 0.000 0.212 417 L C 3.010 180.082 176.870 0.337 0.000 1.091 417 L CA 0.482 55.640 54.840 0.531 0.000 0.828 417 L CB -0.594 41.936 42.059 0.785 0.000 0.973 417 L HN 0.236 nan 8.230 nan 0.000 0.461 418 A N 0.727 123.687 122.820 0.234 0.000 1.940 418 A HA -0.252 4.068 4.320 0.000 0.000 0.219 418 A C 2.432 180.034 177.584 0.029 0.000 1.176 418 A CA 1.782 53.786 52.037 -0.055 0.000 0.631 418 A CB -0.560 18.501 19.000 0.103 0.000 0.814 418 A HN 0.361 nan 8.150 nan 0.000 0.446 419 R N -0.442 120.127 120.500 0.115 0.000 2.083 419 R HA -0.166 4.175 4.340 0.000 0.000 0.237 419 R C 2.412 178.786 176.300 0.125 0.000 1.137 419 R CA 1.753 57.915 56.100 0.103 0.000 0.951 419 R CB -0.354 29.993 30.300 0.078 0.000 0.851 419 R HN 0.535 nan 8.270 nan 0.000 0.434 420 R N -0.690 119.898 120.500 0.146 0.000 2.091 420 R HA -0.220 4.120 4.340 0.000 0.000 0.238 420 R C 2.174 178.619 176.300 0.241 0.000 1.136 420 R CA 1.898 58.076 56.100 0.131 0.000 0.959 420 R CB -0.498 29.875 30.300 0.122 0.000 0.856 420 R HN 0.344 nan 8.270 nan 0.000 0.437 421 Y N 0.236 120.669 120.300 0.222 0.000 2.128 421 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 421 Y C 1.932 177.975 175.900 0.238 0.000 1.154 421 Y CA 2.102 60.343 58.100 0.235 0.000 1.149 421 Y CB -0.537 37.821 38.460 -0.169 0.000 0.976 421 Y HN 0.138 nan 8.280 nan 0.000 0.505 422 F N 0.296 120.340 119.950 0.156 0.000 2.069 422 F HA -0.266 4.261 4.527 0.000 0.000 0.298 422 F C 1.962 177.768 175.800 0.011 0.000 1.113 422 F CA 1.900 59.922 58.000 0.036 0.000 1.214 422 F CB -0.913 38.018 39.000 -0.114 0.000 0.978 422 F HN 0.036 nan 8.300 nan 0.000 0.474 423 L N 0.307 121.397 121.223 -0.222 0.000 2.129 423 L HA -0.294 4.047 4.340 0.000 0.000 0.212 423 L C 1.910 178.655 176.870 -0.209 0.000 1.087 423 L CA 1.980 56.592 54.840 -0.381 0.000 0.757 423 L CB -0.886 40.861 42.059 -0.520 0.000 0.896 423 L HN 0.289 nan 8.230 nan 0.000 0.434 424 N N -1.834 116.793 118.700 -0.121 0.000 2.494 424 N HA -0.096 4.644 4.740 0.000 0.000 0.182 424 N C 1.116 176.389 175.510 -0.395 0.000 1.076 424 N CA 0.272 53.206 53.050 -0.194 0.000 0.908 424 N CB 0.178 38.541 38.487 -0.208 0.000 0.967 424 N HN 0.416 nan 8.380 nan 0.000 0.449 425 H N -2.207 116.735 119.070 -0.214 0.000 3.058 425 H HA 0.123 4.679 4.556 0.000 0.000 0.258 425 H C -0.687 174.585 175.328 -0.093 0.000 1.015 425 H CA -0.376 55.589 56.048 -0.138 0.000 1.210 425 H CB 0.314 30.002 29.762 -0.123 0.000 1.481 425 H HN 0.115 nan 8.280 nan 0.000 0.492 426 Y N 2.602 122.673 120.300 -0.382 0.000 2.402 426 Y HA 0.156 4.706 4.550 0.000 0.000 0.333 426 Y C 0.836 176.549 175.900 -0.312 0.000 1.076 426 Y CA 0.118 57.869 58.100 -0.581 0.000 1.299 426 Y CB 0.762 38.439 38.460 -1.305 0.000 1.197 426 Y HN 0.134 nan 8.280 nan 0.000 0.517 427 T N 0.049 114.232 114.554 -0.618 0.000 3.170 427 T HA 0.191 4.541 4.350 0.000 0.000 0.288 427 T C 1.534 175.924 174.700 -0.517 0.000 0.992 427 T CA 0.209 62.064 62.100 -0.407 0.000 0.909 427 T CB 0.100 68.888 68.868 -0.134 0.000 1.133 427 T HN 0.719 nan 8.240 nan 0.000 0.530 428 G N 0.853 108.948 108.800 -1.175 0.000 2.559 428 G HA2 0.475 4.436 3.960 0.000 0.000 0.216 428 G HA3 0.475 4.436 3.960 0.000 0.000 0.216 428 G C 0.712 175.486 174.900 -0.210 0.000 1.126 428 G CA 0.246 44.998 45.100 -0.580 0.000 0.778 428 G HN 0.993 nan 8.290 nan 0.000 0.543 429 G N -2.003 106.697 108.800 -0.168 0.000 2.322 429 G HA2 0.390 4.350 3.960 0.000 0.000 0.295 429 G HA3 0.390 4.350 3.960 0.000 0.000 0.295 429 G C -0.779 174.179 174.900 0.096 0.000 1.369 429 G CA -0.391 44.745 45.100 0.061 0.000 0.821 429 G HN 0.146 nan 8.290 nan 0.000 0.536 430 T N 1.082 115.690 114.554 0.089 0.000 2.928 430 T HA 0.391 4.741 4.350 0.000 0.000 0.305 430 T C 0.177 174.866 174.700 -0.018 0.000 1.035 430 T CA 0.489 62.587 62.100 -0.003 0.000 1.145 430 T CB 0.488 69.360 68.868 0.007 0.000 0.963 430 T HN 0.488 nan 8.240 nan 0.000 0.545 431 K N 1.701 121.994 120.400 -0.179 0.000 2.259 431 K HA 0.585 4.905 4.320 0.000 0.000 0.252 431 K C -1.416 174.940 176.600 -0.406 0.000 0.936 431 K CA -0.569 55.627 56.287 -0.152 0.000 0.810 431 K CB 1.539 34.013 32.500 -0.043 0.000 1.143 431 K HN 0.515 nan 8.250 nan 0.000 0.427 432 Y N -0.190 120.069 120.300 -0.068 0.000 2.386 432 Y HA 0.471 5.021 4.550 0.000 0.000 0.334 432 Y C -0.227 175.784 175.900 0.185 0.000 1.002 432 Y CA -0.681 57.357 58.100 -0.103 0.000 1.068 432 Y CB 2.598 40.574 38.460 -0.807 0.000 1.203 432 Y HN 0.481 nan 8.280 nan 0.000 0.443 433 S N 3.873 119.981 115.700 0.680 0.000 2.548 433 S HA 0.852 5.323 4.470 0.000 0.000 0.286 433 S C -1.421 173.575 174.600 0.661 0.000 1.098 433 S CA -0.576 57.925 58.200 0.501 0.000 0.930 433 S CB 0.610 63.878 63.200 0.113 0.000 1.070 433 S HN 0.493 nan 8.310 nan 0.000 0.480 434 F N 2.318 122.471 119.950 0.338 0.000 2.588 434 F HA 0.898 5.426 4.527 0.000 0.000 0.314 434 F C -1.621 174.229 175.800 0.084 0.000 1.069 434 F CA -1.286 56.756 58.000 0.071 0.000 0.931 434 F CB 1.157 40.117 39.000 -0.068 0.000 1.260 434 F HN 0.438 nan 8.300 nan 0.000 0.465 435 L N 2.433 123.762 121.223 0.176 0.000 2.406 435 L HA 0.609 4.949 4.340 0.000 0.000 0.272 435 L C -0.771 176.173 176.870 0.123 0.000 0.980 435 L CA -0.226 54.678 54.840 0.107 0.000 0.831 435 L CB 1.843 43.947 42.059 0.076 0.000 1.253 435 L HN 0.882 nan 8.230 nan 0.000 0.406 436 S N 3.866 119.681 115.700 0.191 0.000 2.508 436 S HA 0.540 5.011 4.470 0.000 0.000 0.284 436 S C 0.177 174.821 174.600 0.073 0.000 1.192 436 S CA -0.423 57.859 58.200 0.138 0.000 1.070 436 S CB 0.581 63.932 63.200 0.251 0.000 1.004 436 S HN 0.722 nan 8.310 nan 0.000 0.493 437 K N 3.528 123.957 120.400 0.048 0.000 2.706 437 K HA 0.144 4.464 4.320 0.000 0.000 0.203 437 K C 1.218 177.845 176.600 0.046 0.000 1.102 437 K CA -0.206 56.116 56.287 0.058 0.000 1.058 437 K CB 0.409 32.959 32.500 0.083 0.000 0.779 437 K HN 0.667 nan 8.250 nan 0.000 0.483 438 Q N 0.531 120.341 119.800 0.017 0.000 2.135 438 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 438 Q C 0.657 176.649 176.000 -0.013 0.000 0.981 438 Q CA 1.263 57.044 55.803 -0.036 0.000 0.856 438 Q CB 0.269 28.941 28.738 -0.111 0.000 0.902 438 Q HN 0.151 nan 8.270 nan 0.000 0.425 439 L N 0.945 122.187 121.223 0.031 0.000 2.791 439 L HA 0.222 4.562 4.340 0.000 0.000 0.239 439 L C -0.056 176.862 176.870 0.080 0.000 1.203 439 L CA 0.254 55.137 54.840 0.072 0.000 1.002 439 L CB 0.274 42.400 42.059 0.112 0.000 1.295 439 L HN -0.097 nan 8.230 nan 0.000 0.504 440 S N 0.386 116.123 115.700 0.062 0.000 2.558 440 S HA 0.324 4.794 4.470 0.000 0.000 0.293 440 S C 1.442 176.078 174.600 0.059 0.000 1.292 440 S CA 0.818 59.056 58.200 0.063 0.000 1.063 440 S CB 0.345 63.577 63.200 0.054 0.000 0.831 440 S HN 0.713 nan 8.310 nan 0.000 0.499 441 G N 1.313 110.150 108.800 0.061 0.000 2.195 441 G HA2 -0.238 3.722 3.960 0.000 0.000 0.246 441 G HA3 -0.238 3.722 3.960 0.000 0.000 0.246 441 G C -0.045 174.891 174.900 0.060 0.000 0.984 441 G CA -0.009 45.123 45.100 0.053 0.000 0.633 441 G HN 0.679 nan 8.290 nan 0.000 0.525 442 L N 2.977 124.249 121.223 0.083 0.000 2.433 442 L HA 0.543 4.884 4.340 0.000 0.000 0.275 442 L C -1.571 175.338 176.870 0.065 0.000 1.128 442 L CA -1.460 53.437 54.840 0.094 0.000 0.875 442 L CB 0.266 42.424 42.059 0.165 0.000 1.171 442 L HN -0.041 nan 8.230 nan 0.000 0.463 443 P HA 0.079 nan 4.420 nan 0.000 0.266 443 P C 0.720 178.017 177.300 -0.005 0.000 1.193 443 P CA 0.128 63.237 63.100 0.015 0.000 0.770 443 P CB 0.689 32.388 31.700 -0.002 0.000 0.836 444 V N 0.599 120.515 119.914 0.003 0.000 0.489 444 V HA -0.353 3.768 4.120 0.000 0.000 0.092 444 V C 1.718 177.846 176.094 0.058 0.000 2.367 444 V CA 2.421 64.722 62.300 0.002 0.000 3.630 444 V CB -1.961 29.795 31.823 -0.111 0.000 0.914 444 V HN 0.528 nan 8.190 nan 0.000 0.957 445 L N -0.320 120.878 121.223 -0.041 0.000 2.408 445 L HA 0.595 4.935 4.340 0.000 0.000 0.215 445 L C 1.624 178.520 176.870 0.044 0.000 1.081 445 L CA 0.911 55.694 54.840 -0.096 0.000 0.840 445 L CB -0.148 41.703 42.059 -0.347 0.000 1.002 445 L HN 0.919 nan 8.230 nan 0.000 0.468 446 G N 0.635 109.495 108.800 0.100 0.000 2.552 446 G HA2 -0.302 3.658 3.960 0.000 0.000 0.265 446 G HA3 -0.302 3.658 3.960 0.000 0.000 0.265 446 G C 0.106 175.122 174.900 0.193 0.000 1.234 446 G CA 0.001 45.173 45.100 0.119 0.000 0.944 446 G HN 0.118 nan 8.290 nan 0.000 0.568 447 T N 2.510 117.135 114.554 0.118 0.000 3.781 447 T HA 0.460 4.811 4.350 0.000 0.000 0.286 447 T C 0.559 175.275 174.700 0.026 0.000 1.277 447 T CA 0.746 62.876 62.100 0.050 0.000 1.136 447 T CB -1.093 67.806 68.868 0.051 0.000 1.202 447 T HN 0.791 nan 8.240 nan 0.000 0.884 448 F N 0.246 120.228 119.950 0.054 0.000 2.485 448 F HA 0.370 4.897 4.527 0.000 0.000 0.327 448 F C 0.744 176.632 175.800 0.146 0.000 1.203 448 F CA -1.470 56.559 58.000 0.048 0.000 1.295 448 F CB 0.155 39.127 39.000 -0.048 0.000 1.191 448 F HN 0.368 nan 8.300 nan 0.000 0.588 449 H N 0.608 119.871 119.070 0.322 0.000 2.929 449 H HA 0.259 4.816 4.556 0.000 0.000 0.317 449 H C 0.331 175.859 175.328 0.334 0.000 1.031 449 H CA 1.116 57.270 56.048 0.176 0.000 1.466 449 H CB 0.416 30.210 29.762 0.053 0.000 1.482 449 H HN 0.836 nan 8.280 nan 0.000 0.561 450 S N 1.635 117.504 115.700 0.281 0.000 1.699 450 S HA -0.298 4.172 4.470 0.000 0.000 0.247 450 S C 1.565 176.214 174.600 0.082 0.000 0.992 450 S CA 0.985 59.347 58.200 0.270 0.000 1.257 450 S CB -1.588 61.839 63.200 0.377 0.000 1.518 450 S HN 0.968 nan 8.310 nan 0.000 0.537 451 N N 3.162 121.732 118.700 -0.216 0.000 2.334 451 N HA -0.187 4.553 4.740 0.000 0.000 0.187 451 N C 1.035 176.481 175.510 -0.106 0.000 1.016 451 N CA 1.969 54.809 53.050 -0.350 0.000 0.879 451 N CB -0.573 37.440 38.487 -0.790 0.000 0.965 451 N HN 0.729 nan 8.380 nan 0.000 0.438 452 D N 0.677 120.989 120.400 -0.146 0.000 2.219 452 D HA -0.157 4.484 4.640 0.000 0.000 0.205 452 D C 1.770 177.919 176.300 -0.251 0.000 0.970 452 D CA 0.581 54.319 54.000 -0.437 0.000 0.851 452 D CB -0.255 39.987 40.800 -0.931 0.000 0.943 452 D HN 0.306 nan 8.370 nan 0.000 0.488 453 I N 1.216 121.759 120.570 -0.046 0.000 2.226 453 I HA -0.198 3.972 4.170 0.000 0.000 0.245 453 I C 2.666 178.832 176.117 0.082 0.000 1.100 453 I CA 0.436 61.792 61.300 0.093 0.000 1.374 453 I CB -1.003 37.155 38.000 0.264 0.000 1.057 453 I HN -0.030 nan 8.210 nan 0.000 0.413 454 V N 0.681 120.572 119.914 -0.039 0.000 2.255 454 V HA -0.269 3.851 4.120 0.000 0.000 0.247 454 V C 2.169 178.125 176.094 -0.231 0.000 1.051 454 V CA 1.845 64.038 62.300 -0.179 0.000 1.018 454 V CB -0.850 30.597 31.823 -0.627 0.000 0.641 454 V HN 0.181 nan 8.190 nan 0.000 0.445 455 F N -0.257 119.773 119.950 0.134 0.000 2.802 455 F HA 0.073 4.601 4.527 0.000 0.000 0.300 455 F C 2.195 178.107 175.800 0.187 0.000 1.168 455 F CA 0.866 58.968 58.000 0.169 0.000 1.433 455 F CB -0.446 38.698 39.000 0.239 0.000 1.115 455 F HN 0.211 nan 8.300 nan 0.000 0.582 456 Q N -0.475 119.449 119.800 0.206 0.000 2.423 456 Q HA -0.006 4.335 4.340 0.000 0.000 0.231 456 Q C 0.806 176.818 176.000 0.020 0.000 0.894 456 Q CA 0.740 56.637 55.803 0.157 0.000 0.938 456 Q CB 0.475 29.287 28.738 0.125 0.000 1.079 456 Q HN 0.154 nan 8.270 nan 0.000 0.552 457 D N -1.312 119.043 120.400 -0.076 0.000 2.469 457 D HA 0.064 4.704 4.640 0.000 0.000 0.240 457 D C 0.562 176.566 176.300 -0.494 0.000 1.087 457 D CA 0.461 54.268 54.000 -0.322 0.000 0.876 457 D CB 0.388 40.878 40.800 -0.516 0.000 1.160 457 D HN 0.221 nan 8.370 nan 0.000 0.497 458 Y N 0.122 120.384 120.300 -0.063 0.000 2.576 458 Y HA 0.374 4.924 4.550 0.000 0.000 0.282 458 Y C 0.985 176.862 175.900 -0.039 0.000 1.139 458 Y CA 0.027 58.084 58.100 -0.071 0.000 1.265 458 Y CB 0.825 39.217 38.460 -0.114 0.000 1.376 458 Y HN -0.275 nan 8.280 nan 0.000 0.511 459 L N 0.855 122.153 121.223 0.125 0.000 2.319 459 L HA 0.404 4.745 4.340 0.000 0.000 0.267 459 L C -1.061 175.966 176.870 0.261 0.000 1.011 459 L CA -1.110 53.819 54.840 0.150 0.000 0.818 459 L CB 1.785 43.920 42.059 0.126 0.000 1.316 459 L HN -0.099 nan 8.230 nan 0.000 0.432 460 L N 0.874 122.241 121.223 0.240 0.000 2.325 460 L HA 0.794 5.134 4.340 0.000 0.000 0.279 460 L C 0.410 177.408 176.870 0.213 0.000 1.054 460 L CA 0.086 55.050 54.840 0.207 0.000 0.804 460 L CB 0.963 43.080 42.059 0.097 0.000 1.200 460 L HN 0.800 nan 8.230 nan 0.000 0.436 461 G N 0.195 109.039 108.800 0.073 0.000 2.606 461 G HA2 0.345 4.306 3.960 0.000 0.000 0.300 461 G HA3 0.345 4.306 3.960 0.000 0.000 0.300 461 G C 0.455 175.214 174.900 -0.236 0.000 1.360 461 G CA 0.327 45.321 45.100 -0.177 0.000 0.783 461 G HN 0.521 nan 8.290 nan 0.000 0.484 462 S N -1.045 114.477 115.700 -0.296 0.000 2.387 462 S HA -0.056 4.414 4.470 0.000 0.000 0.230 462 S C 2.397 176.796 174.600 -0.335 0.000 1.035 462 S CA 2.206 60.253 58.200 -0.256 0.000 1.014 462 S CB -0.662 62.407 63.200 -0.220 0.000 0.836 462 S HN 1.486 nan 8.310 nan 0.000 0.466 463 G N 1.196 109.741 108.800 -0.426 0.000 2.443 463 G HA2 -0.092 3.868 3.960 0.000 0.000 0.219 463 G HA3 -0.092 3.868 3.960 0.000 0.000 0.219 463 G C 1.499 176.016 174.900 -0.638 0.000 1.131 463 G CA 0.827 45.579 45.100 -0.579 0.000 0.775 463 G HN 0.598 nan 8.290 nan 0.000 0.547 464 S N 0.506 116.067 115.700 -0.231 0.000 2.440 464 S HA -0.070 4.400 4.470 0.000 0.000 0.238 464 S C 2.105 176.563 174.600 -0.237 0.000 1.010 464 S CA 0.507 58.644 58.200 -0.106 0.000 0.972 464 S CB -0.131 63.084 63.200 0.026 0.000 0.774 464 S HN 0.168 nan 8.310 nan 0.000 0.501 465 L N 1.016 122.062 121.223 -0.294 0.000 2.131 465 L HA -0.013 4.327 4.340 0.000 0.000 0.210 465 L C 1.854 178.512 176.870 -0.353 0.000 1.092 465 L CA 1.338 56.023 54.840 -0.259 0.000 0.759 465 L CB -0.668 41.252 42.059 -0.232 0.000 0.903 465 L HN 0.311 nan 8.230 nan 0.000 0.435 466 I N -2.499 117.698 120.570 -0.621 0.000 2.512 466 I HA -0.130 4.040 4.170 0.000 0.000 0.247 466 I C 2.328 177.755 176.117 -1.150 0.000 1.094 466 I CA 0.769 61.575 61.300 -0.823 0.000 1.427 466 I CB -1.230 36.087 38.000 -1.138 0.000 1.149 466 I HN 0.140 nan 8.210 nan 0.000 0.438 467 Y N 1.689 121.490 120.300 -0.832 0.000 2.403 467 Y HA -0.117 4.433 4.550 0.000 0.000 0.291 467 Y C 2.102 177.769 175.900 -0.388 0.000 1.143 467 Y CA 0.813 58.422 58.100 -0.817 0.000 1.257 467 Y CB -1.211 37.099 38.460 -0.250 0.000 0.984 467 Y HN 0.370 nan 8.280 nan 0.000 0.550 468 N N -1.094 117.515 118.700 -0.153 0.000 2.831 468 N HA -0.020 4.721 4.740 0.000 0.000 0.233 468 N C 1.247 176.749 175.510 -0.013 0.000 1.031 468 N CA 0.388 53.438 53.050 -0.001 0.000 1.198 468 N CB -0.184 38.313 38.487 0.018 0.000 1.595 468 N HN -0.012 nan 8.380 nan 0.000 0.588 469 N N 1.879 120.546 118.700 -0.055 0.000 2.011 469 N HA -0.205 4.535 4.740 0.000 0.000 0.199 469 N C 1.626 177.144 175.510 0.014 0.000 1.047 469 N CA 1.919 54.955 53.050 -0.024 0.000 0.863 469 N CB -0.648 37.810 38.487 -0.048 0.000 1.056 469 N HN 0.283 nan 8.380 nan 0.000 0.427 470 A N 0.125 122.933 122.820 -0.020 0.000 1.940 470 A HA -0.109 4.212 4.320 0.000 0.000 0.219 470 A C 1.786 179.527 177.584 0.261 0.000 1.176 470 A CA 1.182 53.279 52.037 0.100 0.000 0.631 470 A CB -0.769 18.329 19.000 0.163 0.000 0.814 470 A HN 0.227 nan 8.150 nan 0.000 0.446 471 F N -0.245 119.726 119.950 0.035 0.000 2.259 471 F HA 0.008 4.535 4.527 0.000 0.000 0.298 471 F C 2.120 177.929 175.800 0.015 0.000 1.088 471 F CA 0.058 58.077 58.000 0.031 0.000 1.358 471 F CB -0.798 38.211 39.000 0.016 0.000 1.040 471 F HN 0.152 nan 8.300 nan 0.000 0.505 472 I N -0.390 120.293 120.570 0.189 0.000 2.286 472 I HA -0.211 3.959 4.170 0.000 0.000 0.245 472 I C 2.582 178.743 176.117 0.073 0.000 1.104 472 I CA 1.086 62.440 61.300 0.089 0.000 1.397 472 I CB -0.685 37.353 38.000 0.063 0.000 1.072 472 I HN -0.002 nan 8.210 nan 0.000 0.417 473 A N 0.655 123.528 122.820 0.089 0.000 1.933 473 A HA -0.241 4.080 4.320 0.000 0.000 0.218 473 A C 2.220 179.843 177.584 0.065 0.000 1.175 473 A CA 1.350 53.423 52.037 0.061 0.000 0.628 473 A CB -0.888 18.144 19.000 0.055 0.000 0.814 473 A HN 0.431 nan 8.150 nan 0.000 0.444 474 F N 1.003 120.916 119.950 -0.060 0.000 2.102 474 F HA -0.037 4.490 4.527 0.000 0.000 0.298 474 F C 2.507 178.265 175.800 -0.070 0.000 1.105 474 F CA 1.106 59.044 58.000 -0.104 0.000 1.239 474 F CB -0.487 38.427 39.000 -0.143 0.000 0.991 474 F HN 0.235 nan 8.300 nan 0.000 0.474 475 A N -0.857 121.925 122.820 -0.064 0.000 1.972 475 A HA -0.136 4.184 4.320 0.000 0.000 0.219 475 A C 2.155 179.654 177.584 -0.141 0.000 1.169 475 A CA 2.211 54.158 52.037 -0.150 0.000 0.635 475 A CB -1.264 17.687 19.000 -0.082 0.000 0.810 475 A HN 0.450 nan 8.150 nan 0.000 0.446 476 T N -0.350 114.152 114.554 -0.087 0.000 2.852 476 T HA -0.027 4.323 4.350 0.000 0.000 0.256 476 T C 1.014 175.665 174.700 -0.082 0.000 1.038 476 T CA 1.313 63.376 62.100 -0.063 0.000 1.141 476 T CB -0.144 68.710 68.868 -0.024 0.000 0.869 476 T HN 0.496 nan 8.240 nan 0.000 0.439 477 D N 0.362 120.708 120.400 -0.091 0.000 2.433 477 D HA 0.293 4.933 4.640 0.000 0.000 0.211 477 D C 0.754 176.977 176.300 -0.127 0.000 1.114 477 D CA 0.027 53.978 54.000 -0.081 0.000 0.837 477 D CB 0.624 41.403 40.800 -0.034 0.000 0.984 477 D HN 0.223 nan 8.370 nan 0.000 0.505 478 L N 0.885 121.942 121.223 -0.277 0.000 4.291 478 L HA -0.209 4.131 4.340 0.000 0.000 0.413 478 L C -0.540 176.274 176.870 -0.093 0.000 1.162 478 L CA 0.559 55.133 54.840 -0.445 0.000 0.961 478 L CB -1.237 40.658 42.059 -0.274 0.000 2.095 478 L HN 0.046 nan 8.230 nan 0.000 0.838 479 D N -0.648 119.758 120.400 0.011 0.000 2.764 479 D HA 0.299 4.940 4.640 0.000 0.000 0.227 479 D C -1.830 174.453 176.300 -0.030 0.000 1.347 479 D CA -1.364 52.656 54.000 0.034 0.000 0.953 479 D CB 1.927 42.752 40.800 0.042 0.000 1.476 479 D HN -0.212 nan 8.370 nan 0.000 0.585 480 P HA -0.025 nan 4.420 nan 0.000 0.233 480 P C 0.648 177.922 177.300 -0.043 0.000 1.167 480 P CA 0.297 63.299 63.100 -0.164 0.000 0.770 480 P CB 0.553 31.941 31.700 -0.520 0.000 0.837 481 N N 0.059 118.729 118.700 -0.050 0.000 2.459 481 N HA -0.055 4.686 4.740 0.000 0.000 0.181 481 N C 1.561 177.095 175.510 0.039 0.000 1.046 481 N CA 1.527 54.602 53.050 0.040 0.000 0.904 481 N CB -0.606 37.923 38.487 0.071 0.000 0.964 481 N HN 0.318 nan 8.380 nan 0.000 0.444 482 T N -1.811 112.758 114.554 0.025 0.000 3.051 482 T HA 0.085 4.436 4.350 0.000 0.000 0.269 482 T C 1.872 176.588 174.700 0.026 0.000 1.127 482 T CA 0.738 62.853 62.100 0.025 0.000 1.107 482 T CB -0.099 68.779 68.868 0.017 0.000 0.898 482 T HN 0.113 nan 8.240 nan 0.000 0.517 483 A N 1.469 124.308 122.820 0.032 0.000 2.121 483 A HA 0.442 4.762 4.320 0.000 0.000 0.218 483 A C 2.046 179.643 177.584 0.022 0.000 1.154 483 A CA 0.738 52.792 52.037 0.028 0.000 0.679 483 A CB -1.358 17.662 19.000 0.034 0.000 0.795 483 A HN 1.455 nan 8.150 nan 0.000 0.458 484 G N -0.968 107.848 108.800 0.027 0.000 2.272 484 G HA2 -0.204 3.756 3.960 0.000 0.000 0.280 484 G HA3 -0.204 3.756 3.960 0.000 0.000 0.280 484 G C -0.077 174.833 174.900 0.016 0.000 1.067 484 G CA 0.342 45.455 45.100 0.022 0.000 0.902 484 G HN 0.480 nan 8.290 nan 0.000 0.500 485 L N -0.346 120.891 121.223 0.023 0.000 2.399 485 L HA 0.337 4.677 4.340 0.000 0.000 0.266 485 L C 1.927 178.805 176.870 0.014 0.000 1.114 485 L CA -1.297 53.548 54.840 0.008 0.000 0.804 485 L CB 0.624 42.688 42.059 0.008 0.000 1.146 485 L HN 0.010 nan 8.230 nan 0.000 0.451 486 L N 1.819 123.042 121.223 0.001 0.000 2.141 486 L HA 0.016 4.356 4.340 0.000 0.000 0.209 486 L C 0.505 177.385 176.870 0.016 0.000 1.094 486 L CA 1.060 55.904 54.840 0.007 0.000 0.763 486 L CB -0.029 42.029 42.059 -0.002 0.000 0.908 486 L HN 0.314 nan 8.230 nan 0.000 0.437 487 V N 1.139 121.060 119.914 0.011 0.000 2.407 487 V HA 0.181 4.301 4.120 0.000 0.000 0.278 487 V C 0.621 176.749 176.094 0.057 0.000 1.037 487 V CA -0.884 61.429 62.300 0.021 0.000 0.900 487 V CB 1.673 33.488 31.823 -0.012 0.000 0.983 487 V HN 0.110 nan 8.190 nan 0.000 0.459 488 K N 4.187 124.639 120.400 0.086 0.000 2.322 488 K HA 0.078 4.398 4.320 0.000 0.000 0.283 488 K C -0.706 176.029 176.600 0.225 0.000 1.042 488 K CA -0.521 55.854 56.287 0.146 0.000 0.958 488 K CB 0.596 33.171 32.500 0.125 0.000 0.984 488 K HN 0.721 nan 8.250 nan 0.000 0.473 489 W N 8.135 129.480 121.300 0.074 0.000 2.387 489 W HA 0.198 4.858 4.660 0.001 0.000 0.310 489 W C -2.279 174.370 176.519 0.217 0.000 1.181 489 W CA -2.641 54.779 57.345 0.125 0.000 1.333 489 W CB 0.420 29.935 29.460 0.092 0.000 1.286 489 W HN 0.454 nan 8.180 nan 0.000 0.455 490 P HA 0.072 nan 4.420 nan 0.000 0.278 490 P C -0.507 177.011 177.300 0.363 0.000 1.238 490 P CA -0.027 63.294 63.100 0.369 0.000 0.794 490 P CB 1.360 33.196 31.700 0.227 0.000 0.955 491 E N 1.442 121.720 120.200 0.130 0.000 2.373 491 E HA 0.039 4.389 4.350 0.000 0.000 0.267 491 E C -1.171 175.436 176.600 0.012 0.000 1.032 491 E CA -0.434 55.903 56.400 -0.105 0.000 0.889 491 E CB 0.275 29.890 29.700 -0.142 0.000 0.984 491 E HN 0.355 nan 8.360 nan 0.000 0.425 492 Y N 3.520 123.737 120.300 -0.137 0.000 2.335 492 Y HA 0.139 4.689 4.550 0.000 0.000 0.339 492 Y C 0.892 176.736 175.900 -0.094 0.000 0.987 492 Y CA 0.028 58.095 58.100 -0.056 0.000 1.140 492 Y CB 1.267 39.722 38.460 -0.009 0.000 1.173 492 Y HN 0.640 nan 8.280 nan 0.000 0.486 493 T N 0.182 114.701 114.554 -0.059 0.000 3.071 493 T HA 0.289 4.639 4.350 0.000 0.000 0.239 493 T C 0.383 175.079 174.700 -0.007 0.000 0.997 493 T CA 0.554 62.640 62.100 -0.022 0.000 1.134 493 T CB -0.105 68.711 68.868 -0.086 0.000 0.928 493 T HN 0.462 nan 8.240 nan 0.000 0.453 494 S N -0.236 115.338 115.700 -0.210 0.000 2.570 494 S HA 0.491 4.962 4.470 0.000 0.000 0.270 494 S C 0.713 175.103 174.600 -0.351 0.000 1.149 494 S CA 0.051 58.165 58.200 -0.144 0.000 0.837 494 S CB 1.596 64.714 63.200 -0.137 0.000 1.124 494 S HN 0.506 nan 8.310 nan 0.000 0.465 495 S N 1.489 117.096 115.700 -0.155 0.000 2.522 495 S HA 0.048 4.518 4.470 0.000 0.000 0.227 495 S C 1.036 175.502 174.600 -0.223 0.000 0.986 495 S CA 0.891 58.970 58.200 -0.201 0.000 0.929 495 S CB -0.235 62.892 63.200 -0.121 0.000 0.769 495 S HN 0.518 nan 8.310 nan 0.000 0.529 496 S N 1.635 117.220 115.700 -0.192 0.000 2.556 496 S HA 0.128 4.598 4.470 0.000 0.000 0.216 496 S C 0.699 175.211 174.600 -0.146 0.000 0.970 496 S CA -0.542 57.566 58.200 -0.153 0.000 0.912 496 S CB -0.170 62.956 63.200 -0.123 0.000 0.790 496 S HN 0.856 nan 8.310 nan 0.000 0.504 497 Q N 2.192 121.879 119.800 -0.189 0.000 2.421 497 Q HA 0.283 4.623 4.340 0.000 0.000 0.255 497 Q C -0.224 175.695 176.000 -0.136 0.000 1.013 497 Q CA -0.279 55.425 55.803 -0.165 0.000 0.895 497 Q CB 0.393 29.003 28.738 -0.212 0.000 1.271 497 Q HN 0.244 nan 8.270 nan 0.000 0.460 498 S N 0.970 116.611 115.700 -0.098 0.000 2.586 498 S HA 0.705 5.175 4.470 0.000 0.000 0.274 498 S C 0.404 174.964 174.600 -0.067 0.000 1.281 498 S CA -0.042 58.115 58.200 -0.072 0.000 1.035 498 S CB 1.020 64.189 63.200 -0.051 0.000 0.962 498 S HN 1.412 nan 8.310 nan 0.000 0.512 499 G N 2.073 110.843 108.800 -0.050 0.000 2.699 499 G HA2 -0.168 3.792 3.960 0.000 0.000 0.686 499 G HA3 -0.168 3.792 3.960 0.000 0.000 0.686 499 G C -0.840 174.035 174.900 -0.042 0.000 1.301 499 G CA -0.926 44.154 45.100 -0.034 0.000 0.816 499 G HN 0.981 nan 8.290 nan 0.000 0.595 500 N N 0.827 119.520 118.700 -0.011 0.000 2.492 500 N HA 0.277 5.018 4.740 0.000 0.000 0.262 500 N C 0.960 176.466 175.510 -0.006 0.000 1.202 500 N CA 0.417 53.467 53.050 0.001 0.000 0.926 500 N CB 0.384 38.889 38.487 0.031 0.000 1.078 500 N HN 0.714 nan 8.380 nan 0.000 0.454 501 N N 2.095 120.784 118.700 -0.019 0.000 2.143 501 N HA 0.130 4.870 4.740 0.000 0.000 0.222 501 N C -0.891 174.744 175.510 0.209 0.000 1.264 501 N CA 0.040 53.082 53.050 -0.013 0.000 0.897 501 N CB 0.641 38.892 38.487 -0.394 0.000 1.092 501 N HN 0.319 nan 8.380 nan 0.000 0.516 502 L N 0.925 122.240 121.223 0.154 0.000 2.362 502 L HA 0.515 4.855 4.340 0.000 0.000 0.275 502 L C -0.625 176.214 176.870 -0.051 0.000 0.998 502 L CA -1.077 53.858 54.840 0.158 0.000 0.820 502 L CB 2.001 44.145 42.059 0.142 0.000 1.270 502 L HN 0.025 nan 8.230 nan 0.000 0.415 503 M N 4.411 123.866 119.600 -0.242 0.000 2.211 503 M HA 0.471 4.951 4.480 0.000 0.000 0.356 503 M C -0.843 175.197 176.300 -0.433 0.000 1.216 503 M CA 0.763 55.690 55.300 -0.623 0.000 1.134 503 M CB 0.702 32.333 32.600 -1.616 0.000 1.564 503 M HN 0.472 nan 8.290 nan 0.000 0.463 504 M N 5.451 124.729 119.600 -0.536 0.000 2.644 504 M HA 0.598 5.079 4.480 0.000 0.000 0.304 504 M C -1.294 174.692 176.300 -0.524 0.000 1.215 504 M CA -0.629 54.319 55.300 -0.587 0.000 0.871 504 M CB 2.256 34.251 32.600 -1.009 0.000 1.740 504 M HN 0.593 nan 8.290 nan 0.000 0.464 505 I N 2.067 122.455 120.570 -0.305 0.000 2.533 505 I HA 0.439 4.609 4.170 0.000 0.000 0.290 505 I C -1.007 175.110 176.117 -0.000 0.000 1.056 505 I CA -0.810 60.393 61.300 -0.162 0.000 1.057 505 I CB 2.084 39.955 38.000 -0.215 0.000 1.240 505 I HN 0.735 nan 8.210 nan 0.000 0.423 506 N N 4.255 122.997 118.700 0.070 0.000 2.629 506 N HA 0.508 5.248 4.740 0.000 0.000 0.279 506 N C 0.451 175.945 175.510 -0.027 0.000 1.344 506 N CA -0.602 52.491 53.050 0.071 0.000 0.789 506 N CB 1.242 39.813 38.487 0.140 0.000 1.508 506 N HN 0.536 nan 8.380 nan 0.000 0.516 507 A N -0.250 122.547 122.820 -0.039 0.000 1.997 507 A HA -0.130 4.191 4.320 0.000 0.000 0.221 507 A C 1.620 179.158 177.584 -0.077 0.000 1.172 507 A CA 1.444 53.437 52.037 -0.073 0.000 0.645 507 A CB -0.718 18.255 19.000 -0.045 0.000 0.813 507 A HN 0.520 nan 8.150 nan 0.000 0.454 508 L N -2.591 118.599 121.223 -0.054 0.000 2.162 508 L HA 0.267 4.607 4.340 0.000 0.000 0.205 508 L C 1.548 178.383 176.870 -0.058 0.000 1.086 508 L CA 1.549 56.357 54.840 -0.053 0.000 0.778 508 L CB -1.732 40.298 42.059 -0.047 0.000 0.928 508 L HN 0.578 nan 8.230 nan 0.000 0.446 509 G N -1.640 107.133 108.800 -0.046 0.000 2.552 509 G HA2 0.329 4.289 3.960 0.000 0.000 0.137 509 G HA3 0.329 4.289 3.960 0.000 0.000 0.137 509 G C -1.456 173.427 174.900 -0.028 0.000 1.135 509 G CA -0.649 44.417 45.100 -0.057 0.000 1.047 509 G HN -0.041 nan 8.290 nan 0.000 0.501 510 L N 0.466 121.675 121.223 -0.023 0.000 2.322 510 L HA 0.911 5.251 4.340 0.000 0.000 0.269 510 L C -0.324 176.620 176.870 0.124 0.000 1.012 510 L CA -1.137 53.680 54.840 -0.040 0.000 0.815 510 L CB 1.925 43.901 42.059 -0.139 0.000 1.295 510 L HN 0.910 nan 8.230 nan 0.000 0.438 511 Y N -1.352 118.878 120.300 -0.118 0.000 2.774 511 Y HA 0.599 5.150 4.550 0.001 0.000 0.346 511 Y C -0.927 174.924 175.900 -0.082 0.000 1.222 511 Y CA -1.260 56.793 58.100 -0.079 0.000 1.088 511 Y CB 0.891 39.317 38.460 -0.057 0.000 1.354 511 Y HN 0.592 nan 8.280 nan 0.000 0.455 512 T N -0.419 114.139 114.554 0.006 0.000 2.918 512 T HA 0.938 5.288 4.350 0.000 0.000 0.286 512 T C -0.037 174.662 174.700 -0.001 0.000 1.026 512 T CA -0.106 61.943 62.100 -0.086 0.000 1.031 512 T CB 1.604 70.469 68.868 -0.006 0.000 1.046 512 T HN 1.578 nan 8.240 nan 0.000 0.479 513 G N 0.730 109.511 108.800 -0.031 0.000 2.870 513 G HA2 0.653 4.613 3.960 0.000 0.000 0.299 513 G HA3 0.653 4.613 3.960 0.000 0.000 0.299 513 G C -1.639 173.296 174.900 0.058 0.000 1.324 513 G CA -1.126 44.004 45.100 0.049 0.000 0.808 513 G HN 0.786 nan 8.290 nan 0.000 0.535 514 K N -0.161 120.292 120.400 0.088 0.000 2.259 514 K HA 0.377 4.697 4.320 0.000 0.000 0.249 514 K C -1.391 175.267 176.600 0.096 0.000 0.942 514 K CA -0.678 55.641 56.287 0.055 0.000 0.816 514 K CB 2.415 34.929 32.500 0.023 0.000 1.155 514 K HN 0.362 nan 8.250 nan 0.000 0.428 515 D N 2.178 122.572 120.400 -0.009 0.000 2.973 515 D HA 0.048 4.688 4.640 0.000 0.000 0.263 515 D C -0.235 175.848 176.300 -0.362 0.000 1.266 515 D CA -0.175 53.735 54.000 -0.150 0.000 0.975 515 D CB -0.145 40.699 40.800 0.073 0.000 1.032 515 D HN 0.494 nan 8.370 nan 0.000 0.510 516 N N 0.942 119.450 118.700 -0.320 0.000 2.197 516 N HA 0.059 4.799 4.740 0.000 0.000 0.228 516 N C -0.226 175.157 175.510 -0.212 0.000 1.212 516 N CA -0.542 52.355 53.050 -0.256 0.000 0.883 516 N CB -0.781 37.639 38.487 -0.111 0.000 1.107 516 N HN 0.104 nan 8.380 nan 0.000 0.519 517 F N 0.257 120.184 119.950 -0.037 0.000 2.380 517 F HA 0.558 5.085 4.527 0.000 0.000 0.325 517 F C 1.152 176.924 175.800 -0.047 0.000 1.136 517 F CA -1.230 56.736 58.000 -0.058 0.000 1.171 517 F CB 0.539 39.483 39.000 -0.094 0.000 1.230 517 F HN -0.137 nan 8.300 nan 0.000 0.554 518 R N -0.311 120.274 120.500 0.142 0.000 3.225 518 R HA -0.194 4.146 4.340 0.000 0.000 0.245 518 R C 0.988 177.311 176.300 0.038 0.000 0.928 518 R CA 0.681 56.817 56.100 0.061 0.000 0.632 518 R CB -2.181 28.200 30.300 0.133 0.000 1.038 518 R HN 1.016 nan 8.270 nan 0.000 0.461 519 T N -3.432 111.121 114.554 -0.002 0.000 2.867 519 T HA -0.050 4.300 4.350 0.000 0.000 0.268 519 T C 1.978 176.723 174.700 0.075 0.000 1.057 519 T CA 0.851 62.961 62.100 0.017 0.000 1.136 519 T CB 0.042 68.891 68.868 -0.032 0.000 0.874 519 T HN 0.488 nan 8.240 nan 0.000 0.466 520 A N 1.724 124.545 122.820 0.002 0.000 1.930 520 A HA 0.296 4.616 4.320 0.000 0.000 0.217 520 A C 2.673 180.227 177.584 -0.049 0.000 1.175 520 A CA 1.468 53.491 52.037 -0.024 0.000 0.627 520 A CB -1.474 17.482 19.000 -0.072 0.000 0.815 520 A HN 0.600 nan 8.150 nan 0.000 0.443 521 G N -1.924 106.806 108.800 -0.117 0.000 2.403 521 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 521 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 521 G C 1.509 176.459 174.900 0.084 0.000 1.154 521 G CA 1.098 46.148 45.100 -0.082 0.000 0.784 521 G HN 0.574 nan 8.290 nan 0.000 0.538 522 Y N 1.588 121.924 120.300 0.061 0.000 2.128 522 Y HA -0.133 4.417 4.550 0.000 0.000 0.284 522 Y C 2.321 178.301 175.900 0.134 0.000 1.154 522 Y CA 2.125 60.344 58.100 0.198 0.000 1.149 522 Y CB 0.109 38.710 38.460 0.235 0.000 0.976 522 Y HN 0.184 nan 8.280 nan 0.000 0.505 523 D N -0.266 120.273 120.400 0.231 0.000 2.277 523 D HA -0.050 4.590 4.640 0.000 0.000 0.208 523 D C 2.148 178.428 176.300 -0.033 0.000 0.962 523 D CA 0.991 55.061 54.000 0.116 0.000 0.865 523 D CB -0.111 40.788 40.800 0.165 0.000 0.939 523 D HN 0.502 nan 8.370 nan 0.000 0.510 524 A N 0.736 123.505 122.820 -0.084 0.000 1.930 524 A HA -0.120 4.200 4.320 0.000 0.000 0.217 524 A C 2.059 179.444 177.584 -0.332 0.000 1.175 524 A CA 0.899 52.854 52.037 -0.136 0.000 0.627 524 A CB -0.254 18.685 19.000 -0.102 0.000 0.815 524 A HN 0.105 nan 8.150 nan 0.000 0.443 525 L N -2.197 118.665 121.223 -0.603 0.000 2.145 525 L HA 0.190 4.531 4.340 0.000 0.000 0.201 525 L C 1.374 177.646 176.870 -0.996 0.000 1.075 525 L CA 1.565 55.707 54.840 -1.163 0.000 0.773 525 L CB -0.989 40.086 42.059 -1.641 0.000 0.936 525 L HN 0.419 nan 8.230 nan 0.000 0.451 526 F N -1.792 117.951 119.950 -0.345 0.000 2.664 526 F HA 0.223 4.750 4.527 0.000 0.000 0.303 526 F C 2.227 177.936 175.800 -0.151 0.000 1.092 526 F CA -0.114 57.674 58.000 -0.352 0.000 1.305 526 F CB -0.903 37.787 39.000 -0.515 0.000 1.054 526 F HN -0.124 nan 8.300 nan 0.000 0.565 527 S N -0.157 115.549 115.700 0.009 0.000 2.399 527 S HA -0.153 4.318 4.470 0.000 0.000 0.231 527 S C 1.018 175.635 174.600 0.029 0.000 1.022 527 S CA 1.048 59.284 58.200 0.060 0.000 0.983 527 S CB -0.254 62.968 63.200 0.037 0.000 0.803 527 S HN 0.448 nan 8.310 nan 0.000 0.480 528 N N -0.023 118.653 118.700 -0.039 0.000 2.710 528 N HA 0.179 4.919 4.740 0.000 0.000 0.244 528 N C -2.874 172.502 175.510 -0.224 0.000 1.321 528 N CA -1.346 51.637 53.050 -0.112 0.000 0.758 528 N CB 1.273 39.687 38.487 -0.122 0.000 1.284 528 N HN -0.118 nan 8.380 nan 0.000 0.530 529 P HA -0.112 nan 4.420 nan 0.000 0.218 529 P C -1.664 175.089 177.300 -0.911 0.000 1.154 529 P CA 1.428 64.215 63.100 -0.521 0.000 0.872 529 P CB -0.450 30.805 31.700 -0.742 0.000 0.790 530 P HA -0.057 nan 4.420 nan 0.000 0.226 530 P C 1.235 178.000 177.300 -0.891 0.000 1.146 530 P CA 1.394 63.523 63.100 -1.618 0.000 0.773 530 P CB -0.538 30.589 31.700 -0.954 0.000 0.772 531 S N -1.605 113.719 115.700 -0.625 0.000 2.447 531 S HA -0.006 4.464 4.470 0.000 0.000 0.233 531 S C 0.726 174.807 174.600 -0.865 0.000 1.006 531 S CA 0.939 58.754 58.200 -0.641 0.000 0.957 531 S CB -0.626 62.145 63.200 -0.716 0.000 0.773 531 S HN 0.201 nan 8.310 nan 0.000 0.507 532 F N 0.544 120.301 119.950 -0.322 0.000 2.791 532 F HA 0.427 4.954 4.527 0.000 0.000 0.308 532 F C -0.172 175.704 175.800 0.127 0.000 1.138 532 F CA -0.839 56.971 58.000 -0.316 0.000 1.294 532 F CB 0.188 38.755 39.000 -0.721 0.000 0.975 532 F HN -0.005 nan 8.300 nan 0.000 0.512 533 F N 0.892 120.895 119.950 0.088 0.000 2.371 533 F HA 0.521 5.049 4.527 0.000 0.000 0.329 533 F C 0.638 176.564 175.800 0.210 0.000 1.107 533 F CA -1.865 56.210 58.000 0.125 0.000 1.137 533 F CB 0.915 39.942 39.000 0.045 0.000 1.214 533 F HN -0.189 nan 8.300 nan 0.000 0.536 534 V N 0.000 120.083 119.914 0.282 0.000 2.409 534 V HA 0.000 4.120 4.120 0.000 0.000 0.244 534 V CA 0.000 62.385 62.300 0.141 0.000 1.235 534 V CB 0.000 31.858 31.823 0.058 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556