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 1gz7_1_D DATA FIRST_RESID 1 DATA SEQUENCE APTATLANGD TITGLNAIVN EKFLGIPFAE PPVGTLRFKP PVPYSASLNG DATA SEQUENCE QQFTSYGPSc MQMNPMGSFE DTLPKNALDL VLQSKIFQVV LPNDEDcLTI DATA SEQUENCE NVIRPPGTRA SAGLPVMLWI FGGGFELGGS SLFPGDQMVA KSVLMGKPVI DATA SEQUENCE HVSMNYRVAS WGFLAGPDIQ NEGSGNAGLH DQRLAMQWVA DNIAGFGGDP DATA SEQUENCE SKVTIYGESA GSMSTFVHLV WNDGDNTYNG KPLFRAAIMQ SGCMVPSDPV DATA SEQUENCE DGTYGTEIYN QVVASAGcGS ASDKLAcLRG LSQDTLYQAT SDTPGVLAYP DATA SEQUENCE SLRLSYLPRP DGTFITDDMY ALVRDGKYAH VPVIIGDQND EGTLFGLSSL DATA SEQUENCE NVTTDAQARA YFKQSFIHAS DAEIDTLMAA YTSDITQGSP FDTGIFNAIT DATA SEQUENCE PQFKRISALL GDLAFTLARR YFLNYYQGGT KYSFLSKQLS GLPVLGTFHG DATA SEQUENCE NDIIWQDYLV GSGSVIYNNA FIAFANDLDP NKAGLWTNWP TYTSSSQSGN DATA SEQUENCE NLMQINGLGL YTGKDNFRPD AYSALFSNPP 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 0.000 177.593 177.584 0.015 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 2 P HA 0.310 nan 4.420 nan 0.000 0.265 2 P C -0.172 177.270 177.300 0.238 0.000 1.193 2 P CA 0.548 63.697 63.100 0.080 0.000 0.765 2 P CB 0.971 32.647 31.700 -0.041 0.000 0.823 3 T N 0.615 115.352 114.554 0.304 0.000 2.893 3 T HA 0.687 5.038 4.350 0.002 0.000 0.291 3 T C -1.243 173.534 174.700 0.128 0.000 1.028 3 T CA -0.431 61.832 62.100 0.272 0.000 0.995 3 T CB 1.053 69.993 68.868 0.121 0.000 1.051 3 T HN 0.592 nan 8.240 nan 0.000 0.470 4 A N 2.323 125.090 122.820 -0.088 0.000 2.572 4 A HA 0.758 5.079 4.320 0.002 0.000 0.295 4 A C -0.574 176.766 177.584 -0.408 0.000 1.072 4 A CA -0.723 51.010 52.037 -0.508 0.000 0.691 4 A CB 1.833 19.980 19.000 -1.422 0.000 1.291 4 A HN 0.719 nan 8.150 nan 0.000 0.404 5 T N 2.181 116.486 114.554 -0.415 0.000 2.779 5 T HA 0.558 4.910 4.350 0.002 0.000 0.280 5 T C 0.024 174.551 174.700 -0.289 0.000 0.987 5 T CA -0.194 61.755 62.100 -0.251 0.000 0.966 5 T CB 0.519 69.296 68.868 -0.152 0.000 0.933 5 T HN 0.469 nan 8.240 nan 0.000 0.442 6 L N 1.767 122.888 121.223 -0.170 0.000 2.454 6 L HA 0.444 4.785 4.340 0.002 0.000 0.256 6 L C 2.049 178.858 176.870 -0.102 0.000 1.136 6 L CA -0.862 53.907 54.840 -0.119 0.000 0.804 6 L CB 0.226 42.291 42.059 0.010 0.000 1.181 6 L HN 0.775 nan 8.230 nan 0.000 0.469 7 A N 1.381 124.124 122.820 -0.129 0.000 1.958 7 A HA -0.229 4.093 4.320 0.002 0.000 0.221 7 A C 1.608 179.162 177.584 -0.049 0.000 1.178 7 A CA 2.235 54.209 52.037 -0.104 0.000 0.642 7 A CB -0.889 18.029 19.000 -0.138 0.000 0.816 7 A HN 0.944 nan 8.150 nan 0.000 0.453 8 N N -1.415 117.274 118.700 -0.018 0.000 2.398 8 N HA 0.266 5.007 4.740 0.002 0.000 0.188 8 N C 0.988 176.502 175.510 0.006 0.000 1.122 8 N CA 1.212 54.267 53.050 0.008 0.000 0.866 8 N CB -0.303 38.208 38.487 0.041 0.000 0.970 8 N HN 0.870 nan 8.380 nan 0.000 0.462 9 G N -0.649 108.144 108.800 -0.011 0.000 2.175 9 G HA2 -0.246 3.716 3.960 0.002 0.000 0.244 9 G HA3 -0.246 3.716 3.960 0.002 0.000 0.244 9 G C -0.670 174.232 174.900 0.002 0.000 0.982 9 G CA 0.065 45.158 45.100 -0.012 0.000 0.641 9 G HN 0.435 nan 8.290 nan 0.000 0.527 10 D N 1.174 121.589 120.400 0.025 0.000 2.414 10 D HA 0.433 5.074 4.640 0.002 0.000 0.242 10 D C 0.383 176.702 176.300 0.032 0.000 1.129 10 D CA 0.845 54.878 54.000 0.055 0.000 0.885 10 D CB 0.983 41.850 40.800 0.111 0.000 1.198 10 D HN 0.088 nan 8.370 nan 0.000 0.437 11 T N 2.461 117.045 114.554 0.050 0.000 2.756 11 T HA 0.516 4.867 4.350 0.002 0.000 0.290 11 T C 0.410 175.176 174.700 0.109 0.000 0.985 11 T CA -0.622 61.501 62.100 0.038 0.000 0.955 11 T CB 0.301 69.187 68.868 0.030 0.000 0.930 11 T HN 0.262 nan 8.240 nan 0.000 0.451 12 I N 0.140 120.793 120.570 0.137 0.000 2.797 12 I HA 0.791 4.962 4.170 0.002 0.000 0.307 12 I C -0.387 175.938 176.117 0.348 0.000 1.033 12 I CA -0.846 60.637 61.300 0.305 0.000 1.071 12 I CB 2.298 40.597 38.000 0.498 0.000 1.255 12 I HN 0.302 nan 8.210 nan 0.000 0.445 13 T N 2.651 117.422 114.554 0.362 0.000 2.895 13 T HA 0.719 5.071 4.350 0.002 0.000 0.283 13 T C 0.176 175.051 174.700 0.292 0.000 1.014 13 T CA -0.437 61.836 62.100 0.287 0.000 1.037 13 T CB 1.717 70.653 68.868 0.112 0.000 1.006 13 T HN 0.987 nan 8.240 nan 0.000 0.468 14 G N 0.535 109.323 108.800 -0.020 0.000 3.217 14 G HA2 0.669 4.630 3.960 0.002 0.000 0.213 14 G HA3 0.669 4.630 3.960 0.002 0.000 0.213 14 G C -1.618 173.088 174.900 -0.323 0.000 1.294 14 G CA -0.643 44.194 45.100 -0.439 0.000 0.987 14 G HN 0.634 nan 8.290 nan 0.000 0.584 15 L N 0.424 121.420 121.223 -0.378 0.000 2.322 15 L HA 0.571 4.912 4.340 0.002 0.000 0.281 15 L C -0.563 176.190 176.870 -0.194 0.000 1.014 15 L CA -0.940 53.771 54.840 -0.214 0.000 0.815 15 L CB 1.650 43.615 42.059 -0.158 0.000 1.247 15 L HN 0.437 nan 8.230 nan 0.000 0.421 16 N N 3.949 122.577 118.700 -0.120 0.000 2.602 16 N HA 0.328 5.069 4.740 0.002 0.000 0.238 16 N C 0.260 175.737 175.510 -0.056 0.000 1.084 16 N CA 0.333 53.336 53.050 -0.079 0.000 0.952 16 N CB 1.264 39.721 38.487 -0.050 0.000 1.244 16 N HN 0.724 nan 8.380 nan 0.000 0.512 17 A N 3.998 126.787 122.820 -0.052 0.000 2.278 17 A HA 0.185 4.506 4.320 0.002 0.000 0.212 17 A C 1.412 178.985 177.584 -0.018 0.000 1.213 17 A CA -0.116 51.901 52.037 -0.033 0.000 0.840 17 A CB -0.528 18.452 19.000 -0.032 0.000 0.866 17 A HN 0.709 nan 8.150 nan 0.000 0.489 18 I N -2.213 118.348 120.570 -0.015 0.000 4.407 18 I HA -0.366 3.805 4.170 0.002 0.000 0.066 18 I C 2.009 178.127 176.117 0.001 0.000 0.591 18 I CA 2.128 63.425 61.300 -0.005 0.000 1.050 18 I CB -1.963 36.035 38.000 -0.005 0.000 0.939 18 I HN 0.491 nan 8.210 nan 0.000 0.169 19 V N 0.419 120.334 119.914 0.000 0.000 3.041 19 V HA 0.184 4.306 4.120 0.002 0.000 0.260 19 V C 0.841 176.941 176.094 0.010 0.000 1.105 19 V CA 1.687 63.989 62.300 0.004 0.000 1.125 19 V CB -0.729 31.095 31.823 0.001 0.000 0.730 19 V HN 0.839 nan 8.190 nan 0.000 0.479 20 N N -0.948 117.758 118.700 0.009 0.000 3.356 20 N HA 0.291 5.032 4.740 0.002 0.000 0.246 20 N C -1.671 173.844 175.510 0.008 0.000 1.480 20 N CA -0.834 52.229 53.050 0.022 0.000 0.877 20 N CB 1.540 40.042 38.487 0.026 0.000 1.431 20 N HN 0.253 nan 8.380 nan 0.000 0.500 21 E N 0.136 120.353 120.200 0.029 0.000 2.187 21 E HA 0.410 4.762 4.350 0.002 0.000 0.268 21 E C -1.279 175.297 176.600 -0.040 0.000 0.896 21 E CA -0.650 55.732 56.400 -0.029 0.000 0.766 21 E CB 2.409 32.130 29.700 0.034 0.000 1.142 21 E HN 0.298 nan 8.360 nan 0.000 0.408 22 K N 2.279 122.555 120.400 -0.206 0.000 2.316 22 K HA 0.498 4.819 4.320 0.002 0.000 0.251 22 K C -1.164 175.224 176.600 -0.353 0.000 0.934 22 K CA -0.713 55.482 56.287 -0.152 0.000 0.802 22 K CB 1.561 33.981 32.500 -0.134 0.000 1.171 22 K HN 0.319 nan 8.250 nan 0.000 0.426 23 F N 3.263 123.254 119.950 0.069 0.000 2.532 23 F HA 0.369 4.898 4.527 0.002 0.000 0.365 23 F C -0.495 175.308 175.800 0.007 0.000 1.112 23 F CA -0.735 57.349 58.000 0.141 0.000 1.082 23 F CB 0.735 39.917 39.000 0.304 0.000 1.319 23 F HN 0.101 nan 8.300 nan 0.000 0.457 24 L N 1.901 123.180 121.223 0.093 0.000 2.334 24 L HA 0.767 5.108 4.340 0.002 0.000 0.276 24 L C 0.907 177.824 176.870 0.077 0.000 1.014 24 L CA -1.057 53.739 54.840 -0.074 0.000 0.815 24 L CB 1.793 43.629 42.059 -0.371 0.000 1.268 24 L HN 0.783 nan 8.230 nan 0.000 0.428 25 G N 2.633 111.445 108.800 0.020 0.000 2.198 25 G HA2 -0.250 3.711 3.960 0.002 0.000 0.257 25 G HA3 -0.250 3.711 3.960 0.002 0.000 0.257 25 G C -0.094 174.839 174.900 0.056 0.000 1.042 25 G CA -0.335 44.816 45.100 0.084 0.000 0.791 25 G HN 0.470 nan 8.290 nan 0.000 0.502 26 I N 2.359 122.811 120.570 -0.197 0.000 2.452 26 I HA 0.218 4.390 4.170 0.002 0.000 0.287 26 I C -1.373 174.536 176.117 -0.348 0.000 1.079 26 I CA -2.033 58.962 61.300 -0.508 0.000 1.387 26 I CB 0.975 38.594 38.000 -0.635 0.000 1.404 26 I HN -0.021 nan 8.210 nan 0.000 0.522 27 P HA 0.013 nan 4.420 nan 0.000 0.276 27 P C -0.207 176.880 177.300 -0.354 0.000 1.243 27 P CA 0.024 62.855 63.100 -0.448 0.000 0.768 27 P CB 0.508 31.752 31.700 -0.760 0.000 0.856 28 F N 1.583 121.333 119.950 -0.333 0.000 2.682 28 F HA 0.718 5.247 4.527 0.003 0.000 0.308 28 F C -0.018 175.807 175.800 0.042 0.000 1.093 28 F CA -0.837 57.027 58.000 -0.227 0.000 1.244 28 F CB 0.234 38.899 39.000 -0.558 0.000 1.052 28 F HN 0.342 nan 8.300 nan 0.000 0.573 29 A N 0.203 122.796 122.820 -0.379 0.000 2.606 29 A HA 0.542 4.863 4.320 0.002 0.000 0.293 29 A C -0.934 176.643 177.584 -0.011 0.000 1.082 29 A CA -0.905 51.034 52.037 -0.163 0.000 0.685 29 A CB 0.885 19.651 19.000 -0.390 0.000 1.284 29 A HN 0.261 nan 8.150 nan 0.000 0.408 30 E N 1.084 121.346 120.200 0.102 0.000 2.383 30 E HA 0.288 4.639 4.350 0.002 0.000 0.264 30 E C -2.320 174.290 176.600 0.016 0.000 1.050 30 E CA -1.383 55.099 56.400 0.138 0.000 0.896 30 E CB 0.192 29.939 29.700 0.078 0.000 0.982 30 E HN 0.290 nan 8.360 nan 0.000 0.424 31 P HA -0.030 nan 4.420 nan 0.000 0.260 31 P C -2.256 175.024 177.300 -0.033 0.000 1.185 31 P CA -0.619 62.462 63.100 -0.032 0.000 0.763 31 P CB 0.043 31.737 31.700 -0.011 0.000 0.776 32 P HA 0.012 nan 4.420 nan 0.000 0.218 32 P C -0.251 177.016 177.300 -0.055 0.000 1.793 32 P CA 0.082 63.154 63.100 -0.047 0.000 0.941 32 P CB -0.097 31.578 31.700 -0.043 0.000 1.919 33 V N -2.641 117.247 119.914 -0.043 0.000 3.093 33 V HA 0.863 4.984 4.120 0.002 0.000 0.320 33 V C 1.118 177.186 176.094 -0.042 0.000 1.093 33 V CA 0.183 62.459 62.300 -0.040 0.000 1.016 33 V CB 0.656 32.466 31.823 -0.022 0.000 1.096 33 V HN 0.520 nan 8.190 nan 0.000 0.452 34 G N 1.526 110.304 108.800 -0.036 0.000 2.660 34 G HA2 -0.440 3.521 3.960 0.002 0.000 0.321 34 G HA3 -0.440 3.521 3.960 0.002 0.000 0.321 34 G C 1.131 176.009 174.900 -0.037 0.000 1.246 34 G CA 1.652 46.738 45.100 -0.024 0.000 1.000 34 G HN 1.824 nan 8.290 nan 0.000 0.550 35 T N 0.717 115.265 114.554 -0.011 0.000 2.897 35 T HA 0.065 4.417 4.350 0.002 0.000 0.271 35 T C 2.329 177.022 174.700 -0.012 0.000 1.084 35 T CA 1.927 64.028 62.100 0.002 0.000 1.123 35 T CB -0.297 68.580 68.868 0.014 0.000 0.865 35 T HN 0.404 nan 8.240 nan 0.000 0.496 36 L N 0.293 121.495 121.223 -0.035 0.000 2.591 36 L HA 0.238 4.580 4.340 0.002 0.000 0.228 36 L C 1.257 178.070 176.870 -0.096 0.000 1.133 36 L CA -0.084 54.732 54.840 -0.040 0.000 0.880 36 L CB -0.122 41.920 42.059 -0.028 0.000 1.033 36 L HN 0.028 nan 8.230 nan 0.000 0.450 37 R N 0.104 120.477 120.500 -0.211 0.000 2.585 37 R HA 0.003 4.344 4.340 0.002 0.000 0.275 37 R C 0.262 176.270 176.300 -0.486 0.000 1.018 37 R CA 0.175 55.952 56.100 -0.538 0.000 1.072 37 R CB 0.171 29.888 30.300 -0.971 0.000 0.953 37 R HN 0.038 nan 8.270 nan 0.000 0.419 38 F N -1.635 118.350 119.950 0.059 0.000 2.705 38 F HA -0.341 4.188 4.527 0.003 0.000 0.413 38 F C 0.253 176.056 175.800 0.004 0.000 0.588 38 F CA 0.963 58.980 58.000 0.029 0.000 1.187 38 F CB -1.451 37.566 39.000 0.027 0.000 1.737 38 F HN 0.496 nan 8.300 nan 0.000 0.285 39 K N 1.958 122.417 120.400 0.099 0.000 2.123 39 K HA 0.456 4.777 4.320 0.002 0.000 0.248 39 K C -2.242 174.345 176.600 -0.021 0.000 0.969 39 K CA -1.843 54.468 56.287 0.040 0.000 0.882 39 K CB 1.115 33.630 32.500 0.024 0.000 1.080 39 K HN -0.235 nan 8.250 nan 0.000 0.441 40 P HA 0.029 nan 4.420 nan 0.000 0.268 40 P C -2.522 174.750 177.300 -0.046 0.000 1.208 40 P CA -0.933 62.056 63.100 -0.185 0.000 0.777 40 P CB -0.316 31.097 31.700 -0.479 0.000 0.875 41 P HA 0.058 nan 4.420 nan 0.000 0.272 41 P C -0.633 176.700 177.300 0.055 0.000 1.223 41 P CA 0.090 63.214 63.100 0.040 0.000 0.784 41 P CB 0.550 32.301 31.700 0.085 0.000 0.923 42 V N 4.228 124.171 119.914 0.049 0.000 2.398 42 V HA 0.277 4.398 4.120 0.002 0.000 0.286 42 V C -1.907 174.249 176.094 0.103 0.000 1.026 42 V CA -2.179 60.161 62.300 0.068 0.000 0.868 42 V CB 1.223 33.073 31.823 0.045 0.000 0.982 42 V HN 0.589 nan 8.190 nan 0.000 0.443 43 P HA -0.051 nan 4.420 nan 0.000 0.265 43 P C -0.985 176.431 177.300 0.193 0.000 1.193 43 P CA 0.044 63.266 63.100 0.203 0.000 0.765 43 P CB 0.350 32.170 31.700 0.202 0.000 0.823 44 Y N 3.045 123.417 120.300 0.120 0.000 2.539 44 Y HA 0.096 4.646 4.550 0.001 0.000 0.352 44 Y C 1.416 177.392 175.900 0.127 0.000 1.004 44 Y CA 0.535 58.692 58.100 0.095 0.000 1.278 44 Y CB 0.387 38.895 38.460 0.080 0.000 1.136 44 Y HN 0.368 nan 8.280 nan 0.000 0.528 45 S N 3.443 119.053 115.700 -0.151 0.000 2.540 45 S HA 0.430 4.902 4.470 0.002 0.000 0.218 45 S C 0.719 175.233 174.600 -0.142 0.000 0.977 45 S CA -0.083 58.078 58.200 -0.065 0.000 0.918 45 S CB -0.041 63.139 63.200 -0.033 0.000 0.806 45 S HN 0.681 nan 8.310 nan 0.000 0.496 46 A N 1.849 124.406 122.820 -0.438 0.000 2.407 46 A HA 0.605 4.926 4.320 0.002 0.000 0.248 46 A C 0.476 178.090 177.584 0.050 0.000 1.082 46 A CA -0.271 51.608 52.037 -0.262 0.000 0.785 46 A CB 0.296 19.027 19.000 -0.447 0.000 1.020 46 A HN 0.396 nan 8.150 nan 0.000 0.489 47 S N 0.581 116.334 115.700 0.090 0.000 2.564 47 S HA 0.335 4.806 4.470 0.002 0.000 0.278 47 S C 0.442 175.183 174.600 0.235 0.000 1.333 47 S CA -0.326 57.966 58.200 0.153 0.000 1.048 47 S CB -0.169 63.091 63.200 0.100 0.000 0.900 47 S HN 0.545 nan 8.310 nan 0.000 0.505 48 L N 4.094 125.478 121.223 0.268 0.000 3.014 48 L HA 0.322 4.663 4.340 0.002 0.000 0.263 48 L C 1.034 178.065 176.870 0.268 0.000 1.207 48 L CA -0.293 54.747 54.840 0.333 0.000 1.017 48 L CB -0.251 42.078 42.059 0.451 0.000 1.360 48 L HN 0.658 nan 8.230 nan 0.000 0.560 49 N N 1.478 120.287 118.700 0.181 0.000 2.412 49 N HA -0.013 4.729 4.740 0.002 0.000 0.258 49 N C 1.183 176.759 175.510 0.111 0.000 1.236 49 N CA 1.319 54.449 53.050 0.134 0.000 0.882 49 N CB 0.791 39.333 38.487 0.091 0.000 1.066 49 N HN 0.399 nan 8.380 nan 0.000 0.465 50 G N 2.002 110.864 108.800 0.103 0.000 2.179 50 G HA2 -0.270 3.691 3.960 0.002 0.000 0.260 50 G HA3 -0.270 3.691 3.960 0.002 0.000 0.260 50 G C 0.008 174.931 174.900 0.039 0.000 0.977 50 G CA 0.151 45.290 45.100 0.066 0.000 0.641 50 G HN 0.670 nan 8.290 nan 0.000 0.533 51 Q N -0.297 119.533 119.800 0.050 0.000 2.212 51 Q HA 0.617 4.959 4.340 0.002 0.000 0.238 51 Q C 0.114 175.970 176.000 -0.240 0.000 0.955 51 Q CA -0.321 55.409 55.803 -0.122 0.000 0.906 51 Q CB 0.830 29.454 28.738 -0.189 0.000 1.215 51 Q HN 0.524 nan 8.270 nan 0.000 0.478 52 Q N 0.676 120.192 119.800 -0.472 0.000 2.309 52 Q HA 0.465 4.806 4.340 0.002 0.000 0.264 52 Q C -1.358 174.198 176.000 -0.740 0.000 1.008 52 Q CA -0.375 55.199 55.803 -0.382 0.000 0.853 52 Q CB 1.401 30.024 28.738 -0.192 0.000 1.314 52 Q HN 0.434 nan 8.270 nan 0.000 0.448 53 F N 0.814 120.801 119.950 0.061 0.000 2.686 53 F HA 0.205 4.733 4.527 0.002 0.000 0.365 53 F C 0.691 176.472 175.800 -0.033 0.000 1.196 53 F CA -0.570 57.456 58.000 0.042 0.000 1.198 53 F CB 1.332 40.412 39.000 0.133 0.000 1.454 53 F HN 0.545 nan 8.300 nan 0.000 0.539 54 T N -3.054 111.508 114.554 0.014 0.000 3.044 54 T HA 0.305 4.657 4.350 0.002 0.000 0.260 54 T C 0.337 174.997 174.700 -0.068 0.000 1.019 54 T CA 0.150 62.220 62.100 -0.050 0.000 0.921 54 T CB 0.028 68.857 68.868 -0.065 0.000 1.053 54 T HN 0.333 nan 8.240 nan 0.000 0.533 55 S N -0.132 115.538 115.700 -0.051 0.000 2.550 55 S HA 0.616 5.088 4.470 0.002 0.000 0.270 55 S C -1.225 173.352 174.600 -0.038 0.000 1.145 55 S CA -1.096 57.073 58.200 -0.053 0.000 0.852 55 S CB 0.599 63.802 63.200 0.005 0.000 1.119 55 S HN 0.171 nan 8.310 nan 0.000 0.465 56 Y N 1.590 121.901 120.300 0.017 0.000 2.610 56 Y HA 0.418 4.969 4.550 0.002 0.000 0.332 56 Y C 1.594 177.494 175.900 -0.001 0.000 1.201 56 Y CA 1.418 59.525 58.100 0.012 0.000 1.465 56 Y CB 0.279 38.731 38.460 -0.013 0.000 1.283 56 Y HN 1.043 nan 8.280 nan 0.000 0.563 57 G N 3.742 112.636 108.800 0.156 0.000 2.588 57 G HA2 0.418 4.380 3.960 0.002 0.000 0.281 57 G HA3 0.418 4.380 3.960 0.002 0.000 0.281 57 G C -2.521 172.402 174.900 0.039 0.000 1.236 57 G CA -1.419 43.724 45.100 0.071 0.000 0.969 57 G HN 0.451 nan 8.290 nan 0.000 0.504 58 P HA 0.180 nan 4.420 nan 0.000 0.272 58 P C -0.055 177.201 177.300 -0.073 0.000 1.223 58 P CA -0.205 62.862 63.100 -0.055 0.000 0.784 58 P CB 1.124 32.779 31.700 -0.074 0.000 0.923 59 S N 0.252 115.883 115.700 -0.115 0.000 2.634 59 S HA 0.218 4.690 4.470 0.002 0.000 0.261 59 S C 0.568 175.077 174.600 -0.152 0.000 1.271 59 S CA -0.549 57.566 58.200 -0.141 0.000 0.985 59 S CB 0.194 63.267 63.200 -0.211 0.000 0.968 59 S HN 0.529 nan 8.310 nan 0.000 0.568 60 c N 2.329 120.842 118.600 -0.145 0.000 2.563 60 c HA 0.291 4.862 4.570 0.002 0.000 0.358 60 c C 0.945 174.849 174.090 -0.310 0.000 1.336 60 c CA -0.850 55.362 56.329 -0.195 0.000 2.454 60 c CB -0.523 41.924 42.510 -0.105 0.000 2.448 60 c HN 0.670 nan 8.230 nan 0.000 0.670 61 M N 2.378 121.634 119.600 -0.574 0.000 2.255 61 M HA 0.028 4.509 4.480 0.002 0.000 0.356 61 M C 0.159 176.184 176.300 -0.458 0.000 1.338 61 M CA 1.157 55.977 55.300 -0.799 0.000 0.962 61 M CB -0.337 31.082 32.600 -1.969 0.000 1.877 61 M HN 0.606 nan 8.290 nan 0.000 0.463 62 Q N 3.410 123.090 119.800 -0.201 0.000 2.271 62 Q HA 0.478 4.819 4.340 0.002 0.000 0.258 62 Q C -0.487 175.663 176.000 0.249 0.000 0.936 62 Q CA -0.246 55.572 55.803 0.026 0.000 0.909 62 Q CB 2.304 31.039 28.738 -0.005 0.000 1.253 62 Q HN 0.737 nan 8.270 nan 0.000 0.440 63 M N 3.275 123.051 119.600 0.293 0.000 2.209 63 M HA 0.219 4.700 4.480 0.002 0.000 0.355 63 M C -0.058 176.375 176.300 0.221 0.000 1.171 63 M CA -0.428 55.059 55.300 0.312 0.000 1.069 63 M CB 0.856 33.639 32.600 0.306 0.000 1.622 63 M HN 0.482 nan 8.290 nan 0.000 0.459 64 N N 5.434 124.248 118.700 0.189 0.000 2.454 64 N HA 0.086 4.828 4.740 0.002 0.000 0.260 64 N C -2.141 173.431 175.510 0.103 0.000 1.218 64 N CA -0.889 52.240 53.050 0.132 0.000 0.904 64 N CB 1.180 39.735 38.487 0.113 0.000 1.065 64 N HN 0.472 nan 8.380 nan 0.000 0.462 65 P HA 0.006 nan 4.420 nan 0.000 0.221 65 P C 0.147 177.450 177.300 0.004 0.000 1.150 65 P CA 0.932 64.050 63.100 0.031 0.000 0.800 65 P CB 0.069 31.766 31.700 -0.005 0.000 0.787 66 M N -2.265 117.336 119.600 0.002 0.000 2.427 66 M HA -0.135 4.346 4.480 0.002 0.000 0.204 66 M C 0.301 176.585 176.300 -0.027 0.000 0.413 66 M CA 0.456 55.757 55.300 0.002 0.000 0.507 66 M CB -2.261 30.360 32.600 0.035 0.000 1.823 66 M HN 0.091 nan 8.290 nan 0.000 0.859 67 G N 0.132 108.870 108.800 -0.103 0.000 2.537 67 G HA2 0.827 4.788 3.960 0.002 0.000 0.308 67 G HA3 0.827 4.788 3.960 0.002 0.000 0.308 67 G C -0.421 174.347 174.900 -0.220 0.000 1.237 67 G CA 0.015 45.013 45.100 -0.170 0.000 0.968 67 G HN 0.491 nan 8.290 nan 0.000 0.481 68 S N -0.211 115.401 115.700 -0.147 0.000 2.496 68 S HA 0.391 4.862 4.470 0.002 0.000 0.221 68 S C 0.005 174.689 174.600 0.140 0.000 1.260 68 S CA -0.778 57.386 58.200 -0.060 0.000 1.181 68 S CB 0.216 63.417 63.200 0.002 0.000 1.136 68 S HN 0.489 nan 8.310 nan 0.000 0.467 69 F N 1.627 121.578 119.950 0.001 0.000 2.387 69 F HA 0.073 4.601 4.527 0.003 0.000 0.294 69 F C 2.137 177.916 175.800 -0.035 0.000 1.093 69 F CA -0.244 57.744 58.000 -0.021 0.000 1.420 69 F CB 0.164 39.151 39.000 -0.023 0.000 1.086 69 F HN 0.541 nan 8.300 nan 0.000 0.531 70 E N 0.742 121.035 120.200 0.155 0.000 2.441 70 E HA -0.073 4.278 4.350 0.002 0.000 0.210 70 E C -0.504 176.121 176.600 0.041 0.000 1.306 70 E CA 0.537 56.979 56.400 0.070 0.000 1.307 70 E CB -0.789 28.933 29.700 0.037 0.000 1.297 70 E HN 0.494 nan 8.360 nan 0.000 0.440 71 D N -0.572 119.858 120.400 0.049 0.000 2.412 71 D HA -0.026 4.615 4.640 0.002 0.000 0.326 71 D C 0.609 176.911 176.300 0.004 0.000 1.209 71 D CA 0.821 54.833 54.000 0.021 0.000 0.876 71 D CB 0.616 41.429 40.800 0.021 0.000 1.344 71 D HN 0.361 nan 8.370 nan 0.000 0.503 72 T N -1.570 112.988 114.554 0.006 0.000 3.130 72 T HA 0.388 4.739 4.350 0.002 0.000 0.288 72 T C 0.359 175.010 174.700 -0.081 0.000 0.936 72 T CA -0.166 61.905 62.100 -0.048 0.000 0.897 72 T CB 0.473 69.307 68.868 -0.057 0.000 1.178 72 T HN -0.104 nan 8.240 nan 0.000 0.543 73 L N 2.883 124.074 121.223 -0.054 0.000 2.365 73 L HA 0.621 4.962 4.340 0.002 0.000 0.273 73 L C -2.352 174.484 176.870 -0.057 0.000 1.000 73 L CA -2.500 52.290 54.840 -0.084 0.000 0.819 73 L CB 2.155 44.143 42.059 -0.118 0.000 1.284 73 L HN -0.026 nan 8.230 nan 0.000 0.418 74 P HA 0.054 nan 4.420 nan 0.000 0.272 74 P C 0.143 177.423 177.300 -0.034 0.000 1.230 74 P CA -0.487 62.591 63.100 -0.036 0.000 0.788 74 P CB 1.332 33.015 31.700 -0.027 0.000 0.949 75 K N 1.976 122.364 120.400 -0.020 0.000 2.034 75 K HA -0.267 4.054 4.320 0.002 0.000 0.214 75 K C 1.813 178.404 176.600 -0.016 0.000 1.051 75 K CA 2.366 58.644 56.287 -0.015 0.000 0.931 75 K CB -0.463 32.033 32.500 -0.007 0.000 0.715 75 K HN 0.521 nan 8.250 nan 0.000 0.446 76 N N 0.959 119.654 118.700 -0.008 0.000 2.094 76 N HA -0.224 4.517 4.740 0.002 0.000 0.191 76 N C 1.654 177.159 175.510 -0.008 0.000 1.023 76 N CA 1.957 55.011 53.050 0.006 0.000 0.857 76 N CB -0.629 37.868 38.487 0.016 0.000 1.013 76 N HN 0.328 nan 8.380 nan 0.000 0.426 77 A N 0.942 123.732 122.820 -0.050 0.000 1.898 77 A HA 0.101 4.423 4.320 0.002 0.000 0.214 77 A C 2.338 179.811 177.584 -0.185 0.000 1.183 77 A CA 0.882 52.839 52.037 -0.133 0.000 0.622 77 A CB -0.719 18.183 19.000 -0.163 0.000 0.824 77 A HN 0.263 nan 8.150 nan 0.000 0.444 78 L N 0.187 121.341 121.223 -0.115 0.000 2.083 78 L HA -0.172 4.169 4.340 0.002 0.000 0.209 78 L C 1.480 178.319 176.870 -0.051 0.000 1.083 78 L CA 2.384 57.176 54.840 -0.079 0.000 0.752 78 L CB -0.507 41.536 42.059 -0.027 0.000 0.899 78 L HN 0.341 nan 8.230 nan 0.000 0.433 79 D N -0.586 119.794 120.400 -0.034 0.000 2.178 79 D HA -0.154 4.488 4.640 0.002 0.000 0.202 79 D C 2.311 178.607 176.300 -0.007 0.000 0.974 79 D CA 1.371 55.362 54.000 -0.016 0.000 0.841 79 D CB -0.047 40.753 40.800 -0.001 0.000 0.953 79 D HN 0.403 nan 8.370 nan 0.000 0.478 80 L N 0.826 122.055 121.223 0.010 0.000 2.072 80 L HA -0.107 4.235 4.340 0.002 0.000 0.205 80 L C 2.676 179.629 176.870 0.139 0.000 1.079 80 L CA 0.643 55.549 54.840 0.110 0.000 0.752 80 L CB -0.417 41.797 42.059 0.259 0.000 0.906 80 L HN -0.002 nan 8.230 nan 0.000 0.436 81 V N -2.521 117.347 119.914 -0.076 0.000 2.358 81 V HA -0.220 3.902 4.120 0.002 0.000 0.246 81 V C 2.226 178.366 176.094 0.075 0.000 1.047 81 V CA 1.296 63.574 62.300 -0.037 0.000 1.035 81 V CB -0.744 30.923 31.823 -0.260 0.000 0.658 81 V HN 0.322 nan 8.190 nan 0.000 0.452 82 L N -0.013 121.229 121.223 0.031 0.000 2.141 82 L HA -0.167 4.174 4.340 0.002 0.000 0.209 82 L C 2.927 179.766 176.870 -0.051 0.000 1.094 82 L CA 2.185 57.033 54.840 0.014 0.000 0.763 82 L CB -0.627 41.428 42.059 -0.007 0.000 0.908 82 L HN 0.451 nan 8.230 nan 0.000 0.437 83 Q N 0.187 119.945 119.800 -0.070 0.000 2.119 83 Q HA -0.187 4.154 4.340 0.002 0.000 0.201 83 Q C 2.304 178.192 176.000 -0.187 0.000 0.972 83 Q CA 1.881 57.578 55.803 -0.177 0.000 0.847 83 Q CB 0.064 28.706 28.738 -0.161 0.000 0.903 83 Q HN 0.553 nan 8.270 nan 0.000 0.433 84 S N -0.256 115.423 115.700 -0.035 0.000 2.447 84 S HA -0.061 4.410 4.470 0.002 0.000 0.233 84 S C 0.639 175.328 174.600 0.148 0.000 1.006 84 S CA 0.848 59.071 58.200 0.039 0.000 0.957 84 S CB 0.101 63.333 63.200 0.052 0.000 0.773 84 S HN 0.343 nan 8.310 nan 0.000 0.507 85 K N -0.286 120.155 120.400 0.067 0.000 3.500 85 K HA -0.109 4.212 4.320 0.002 0.000 0.313 85 K C -0.184 176.511 176.600 0.158 0.000 1.338 85 K CA 0.659 56.984 56.287 0.063 0.000 0.963 85 K CB -2.578 29.916 32.500 -0.011 0.000 1.267 85 K HN 0.467 nan 8.250 nan 0.000 0.448 86 I N 1.750 122.404 120.570 0.140 0.000 2.775 86 I HA -0.041 4.130 4.170 0.002 0.000 0.290 86 I C 1.747 177.900 176.117 0.059 0.000 1.203 86 I CA 0.494 61.776 61.300 -0.030 0.000 1.433 86 I CB -0.996 36.857 38.000 -0.245 0.000 1.354 86 I HN 0.294 nan 8.210 nan 0.000 0.579 87 F N 2.361 122.471 119.950 0.267 0.000 3.090 87 F HA -0.271 4.257 4.527 0.002 0.000 0.282 87 F C 0.687 176.543 175.800 0.093 0.000 0.923 87 F CA 0.258 58.374 58.000 0.194 0.000 0.977 87 F CB -1.403 37.720 39.000 0.204 0.000 0.954 87 F HN 0.580 nan 8.300 nan 0.000 0.695 88 Q N 0.762 120.683 119.800 0.202 0.000 2.322 88 Q HA 0.515 4.856 4.340 0.002 0.000 0.265 88 Q C -0.060 175.959 176.000 0.031 0.000 0.985 88 Q CA -0.970 54.880 55.803 0.079 0.000 0.849 88 Q CB 2.702 31.449 28.738 0.016 0.000 1.274 88 Q HN 0.245 nan 8.270 nan 0.000 0.449 89 V N 0.794 120.722 119.914 0.023 0.000 2.599 89 V HA 0.173 4.294 4.120 0.002 0.000 0.300 89 V C 0.105 176.153 176.094 -0.077 0.000 1.034 89 V CA -0.414 61.882 62.300 -0.007 0.000 1.115 89 V CB 0.427 32.258 31.823 0.013 0.000 0.934 89 V HN 0.416 nan 8.190 nan 0.000 0.485 90 V N 6.553 126.392 119.914 -0.126 0.000 2.465 90 V HA 0.526 4.647 4.120 0.002 0.000 0.279 90 V C 0.257 176.259 176.094 -0.153 0.000 1.045 90 V CA -0.357 61.835 62.300 -0.179 0.000 0.938 90 V CB 1.014 32.676 31.823 -0.268 0.000 0.986 90 V HN 0.832 nan 8.190 nan 0.000 0.467 91 L N 6.146 127.284 121.223 -0.141 0.000 2.370 91 L HA 0.636 4.977 4.340 0.002 0.000 0.266 91 L C -2.031 174.771 176.870 -0.113 0.000 1.002 91 L CA -1.539 53.228 54.840 -0.121 0.000 0.818 91 L CB 2.390 44.389 42.059 -0.101 0.000 1.325 91 L HN 0.514 nan 8.230 nan 0.000 0.418 92 P HA 0.372 nan 4.420 nan 0.000 0.277 92 P C -1.752 175.474 177.300 -0.123 0.000 1.271 92 P CA -0.458 62.580 63.100 -0.103 0.000 0.795 92 P CB 0.925 32.575 31.700 -0.083 0.000 1.101 93 N N -1.071 117.544 118.700 -0.141 0.000 2.610 93 N HA 0.633 5.374 4.740 0.002 0.000 0.264 93 N C -1.688 173.713 175.510 -0.182 0.000 1.348 93 N CA -0.753 52.194 53.050 -0.170 0.000 0.819 93 N CB 1.899 40.264 38.487 -0.204 0.000 1.521 93 N HN 0.489 nan 8.380 nan 0.000 0.497 94 D N -2.095 118.182 120.400 -0.206 0.000 2.755 94 D HA 0.201 4.843 4.640 0.002 0.000 0.277 94 D C -0.504 175.657 176.300 -0.232 0.000 1.261 94 D CA -0.478 53.404 54.000 -0.197 0.000 0.759 94 D CB 1.359 42.080 40.800 -0.131 0.000 1.279 94 D HN 0.596 nan 8.370 nan 0.000 0.420 95 E N -0.279 119.797 120.200 -0.207 0.000 2.208 95 E HA -0.062 4.289 4.350 0.002 0.000 0.193 95 E C -0.142 176.380 176.600 -0.130 0.000 0.988 95 E CA 0.526 56.809 56.400 -0.195 0.000 0.828 95 E CB 0.174 29.807 29.700 -0.112 0.000 0.763 95 E HN 0.244 nan 8.360 nan 0.000 0.478 96 D N 0.457 120.791 120.400 -0.109 0.000 2.483 96 D HA 0.002 4.643 4.640 0.002 0.000 0.220 96 D C 0.168 176.405 176.300 -0.106 0.000 1.173 96 D CA -0.232 53.712 54.000 -0.094 0.000 0.964 96 D CB 0.025 40.784 40.800 -0.068 0.000 1.046 96 D HN 0.145 nan 8.370 nan 0.000 0.517 97 c N 2.052 120.581 118.600 -0.118 0.000 3.785 97 c HA 0.374 4.945 4.570 0.002 0.000 0.312 97 c C 0.943 174.973 174.090 -0.100 0.000 1.566 97 c CA -0.614 55.656 56.329 -0.099 0.000 1.837 97 c CB -1.219 41.233 42.510 -0.096 0.000 2.826 97 c HN 0.414 nan 8.230 nan 0.000 0.667 98 L N 4.232 125.332 121.223 -0.205 0.000 2.415 98 L HA 0.311 4.653 4.340 0.002 0.000 0.269 98 L C 0.616 177.177 176.870 -0.515 0.000 1.244 98 L CA 0.886 55.478 54.840 -0.415 0.000 1.113 98 L CB -0.681 40.944 42.059 -0.723 0.000 1.352 98 L HN 0.595 nan 8.230 nan 0.000 0.433 99 T N -0.435 114.069 114.554 -0.083 0.000 2.916 99 T HA 0.744 5.096 4.350 0.002 0.000 0.292 99 T C -0.489 174.336 174.700 0.209 0.000 1.064 99 T CA -0.754 61.349 62.100 0.005 0.000 1.011 99 T CB 2.877 71.727 68.868 -0.030 0.000 1.152 99 T HN 0.241 nan 8.240 nan 0.000 0.510 100 I N 0.684 121.244 120.570 -0.017 0.000 2.730 100 I HA 0.576 4.747 4.170 0.002 0.000 0.298 100 I C -1.633 174.363 176.117 -0.201 0.000 1.089 100 I CA -1.112 60.077 61.300 -0.184 0.000 1.041 100 I CB 2.113 39.743 38.000 -0.616 0.000 1.235 100 I HN 0.906 nan 8.210 nan 0.000 0.423 101 N N 4.851 123.496 118.700 -0.090 0.000 2.272 101 N HA 0.687 5.429 4.740 0.002 0.000 0.305 101 N C -1.699 173.792 175.510 -0.031 0.000 1.103 101 N CA -0.676 52.349 53.050 -0.043 0.000 0.791 101 N CB 2.590 41.108 38.487 0.051 0.000 1.356 101 N HN 0.156 nan 8.380 nan 0.000 0.486 102 V N 1.863 121.778 119.914 0.001 0.000 2.577 102 V HA 0.477 4.598 4.120 0.002 0.000 0.303 102 V C -0.737 175.471 176.094 0.190 0.000 1.042 102 V CA -0.568 61.743 62.300 0.018 0.000 0.872 102 V CB 1.365 33.019 31.823 -0.282 0.000 0.998 102 V HN 0.600 nan 8.190 nan 0.000 0.423 103 I N 6.037 126.725 120.570 0.198 0.000 2.410 103 I HA 0.617 4.788 4.170 0.002 0.000 0.286 103 I C -0.011 176.223 176.117 0.194 0.000 1.009 103 I CA -0.550 60.862 61.300 0.186 0.000 1.111 103 I CB 1.641 39.723 38.000 0.138 0.000 1.262 103 I HN 0.722 nan 8.210 nan 0.000 0.443 104 R N 5.453 126.076 120.500 0.206 0.000 2.892 104 R HA 0.754 5.096 4.340 0.002 0.000 0.265 104 R C -3.121 173.259 176.300 0.135 0.000 1.025 104 R CA -2.125 54.085 56.100 0.184 0.000 0.982 104 R CB 1.313 31.758 30.300 0.242 0.000 1.185 104 R HN 0.090 nan 8.270 nan 0.000 0.484 105 P HA 0.082 nan 4.420 nan 0.000 0.269 105 P C -2.385 174.963 177.300 0.080 0.000 1.215 105 P CA -0.944 62.203 63.100 0.077 0.000 0.780 105 P CB 0.168 31.907 31.700 0.066 0.000 0.898 106 P HA -0.029 nan 4.420 nan 0.000 0.268 106 P C 0.818 178.152 177.300 0.056 0.000 1.205 106 P CA 0.881 64.012 63.100 0.053 0.000 0.771 106 P CB 0.276 31.996 31.700 0.033 0.000 0.858 107 G N 1.995 110.832 108.800 0.062 0.000 2.205 107 G HA2 -0.245 3.716 3.960 0.002 0.000 0.261 107 G HA3 -0.245 3.716 3.960 0.002 0.000 0.261 107 G C 0.360 175.301 174.900 0.068 0.000 0.980 107 G CA 0.371 45.506 45.100 0.058 0.000 0.632 107 G HN 0.654 nan 8.290 nan 0.000 0.533 108 T N 2.985 117.591 114.554 0.086 0.000 2.891 108 T HA 0.318 4.670 4.350 0.002 0.000 0.296 108 T C 0.803 175.554 174.700 0.085 0.000 1.025 108 T CA 0.354 62.508 62.100 0.090 0.000 1.149 108 T CB 0.531 69.471 68.868 0.120 0.000 1.007 108 T HN 0.365 nan 8.240 nan 0.000 0.528 109 R N 2.093 122.630 120.500 0.061 0.000 2.486 109 R HA 0.537 4.878 4.340 0.002 0.000 0.286 109 R C 1.431 177.752 176.300 0.036 0.000 0.999 109 R CA -0.823 55.303 56.100 0.045 0.000 0.993 109 R CB 0.256 30.574 30.300 0.031 0.000 1.084 109 R HN 0.694 nan 8.270 nan 0.000 0.487 110 A N 1.451 124.279 122.820 0.014 0.000 1.997 110 A HA -0.222 4.099 4.320 0.002 0.000 0.221 110 A C 1.555 179.139 177.584 0.001 0.000 1.172 110 A CA 2.424 54.455 52.037 -0.010 0.000 0.645 110 A CB -0.476 18.498 19.000 -0.043 0.000 0.813 110 A HN 0.740 nan 8.150 nan 0.000 0.454 111 S N -0.995 114.708 115.700 0.005 0.000 2.634 111 S HA 0.488 4.960 4.470 0.002 0.000 0.221 111 S C 1.587 176.196 174.600 0.014 0.000 0.952 111 S CA 0.688 58.891 58.200 0.006 0.000 0.930 111 S CB -0.116 63.085 63.200 0.002 0.000 0.780 111 S HN 0.816 nan 8.310 nan 0.000 0.498 112 A N 2.084 124.919 122.820 0.025 0.000 1.940 112 A HA 0.308 4.629 4.320 0.002 0.000 0.219 112 A C 2.014 179.614 177.584 0.026 0.000 1.176 112 A CA 0.994 53.049 52.037 0.030 0.000 0.631 112 A CB -1.666 17.361 19.000 0.045 0.000 0.814 112 A HN 1.640 nan 8.150 nan 0.000 0.446 113 G N -1.060 107.756 108.800 0.026 0.000 2.323 113 G HA2 -0.226 3.736 3.960 0.002 0.000 0.292 113 G HA3 -0.226 3.736 3.960 0.002 0.000 0.292 113 G C -0.018 174.896 174.900 0.022 0.000 1.040 113 G CA 0.475 45.587 45.100 0.020 0.000 0.942 113 G HN 0.534 nan 8.290 nan 0.000 0.506 114 L N -0.136 121.108 121.223 0.033 0.000 2.417 114 L HA 0.359 4.700 4.340 0.002 0.000 0.268 114 L C -1.544 175.342 176.870 0.027 0.000 1.158 114 L CA -2.167 52.693 54.840 0.033 0.000 0.819 114 L CB 0.727 42.815 42.059 0.048 0.000 1.112 114 L HN -0.045 nan 8.230 nan 0.000 0.458 115 P HA 0.057 nan 4.420 nan 0.000 0.269 115 P C -0.963 176.348 177.300 0.019 0.000 1.209 115 P CA -0.120 62.983 63.100 0.006 0.000 0.776 115 P CB 0.753 32.447 31.700 -0.010 0.000 0.876 116 V N 4.115 124.037 119.914 0.014 0.000 2.459 116 V HA 0.392 4.513 4.120 0.002 0.000 0.295 116 V C 0.168 176.273 176.094 0.018 0.000 1.029 116 V CA -0.350 61.964 62.300 0.024 0.000 0.874 116 V CB 1.441 33.276 31.823 0.021 0.000 0.985 116 V HN 0.471 nan 8.190 nan 0.000 0.438 117 M N 5.621 125.239 119.600 0.031 0.000 2.044 117 M HA 0.414 4.895 4.480 0.002 0.000 0.333 117 M C -1.124 175.245 176.300 0.115 0.000 1.004 117 M CA -0.650 54.676 55.300 0.044 0.000 0.954 117 M CB 1.450 34.043 32.600 -0.012 0.000 1.468 117 M HN 0.426 nan 8.290 nan 0.000 0.414 118 L N 5.384 126.697 121.223 0.149 0.000 2.255 118 L HA 0.372 4.713 4.340 0.002 0.000 0.289 118 L C -1.015 175.942 176.870 0.145 0.000 1.046 118 L CA 0.022 54.903 54.840 0.068 0.000 0.816 118 L CB 0.410 42.450 42.059 -0.032 0.000 1.197 118 L HN 0.696 nan 8.230 nan 0.000 0.427 119 W N 8.100 129.286 121.300 -0.189 0.000 2.351 119 W HA 0.458 5.119 4.660 0.002 0.000 0.311 119 W C -1.358 175.032 176.519 -0.214 0.000 1.168 119 W CA -0.840 56.273 57.345 -0.386 0.000 1.200 119 W CB 1.156 30.394 29.460 -0.370 0.000 1.221 119 W HN 0.396 nan 8.180 nan 0.000 0.519 120 I N 9.421 129.311 120.570 -1.133 0.000 2.390 120 I HA 0.119 4.290 4.170 0.002 0.000 0.283 120 I C 0.201 175.510 176.117 -1.346 0.000 1.016 120 I CA -0.975 59.764 61.300 -0.936 0.000 1.151 120 I CB 0.503 38.108 38.000 -0.658 0.000 1.293 120 I HN 0.239 nan 8.210 nan 0.000 0.458 121 F N 4.510 124.035 119.950 -0.709 0.000 2.535 121 F HA 0.662 5.190 4.527 0.002 0.000 0.332 121 F C 0.641 176.345 175.800 -0.161 0.000 1.208 121 F CA -0.725 57.100 58.000 -0.291 0.000 1.330 121 F CB 0.110 39.367 39.000 0.428 0.000 1.167 121 F HN 0.366 nan 8.300 nan 0.000 0.597 122 G N -0.494 108.412 108.800 0.177 0.000 2.461 122 G HA2 0.533 4.494 3.960 0.002 0.000 0.323 122 G HA3 0.533 4.494 3.960 0.002 0.000 0.323 122 G C -0.286 174.826 174.900 0.352 0.000 1.229 122 G CA -0.631 44.520 45.100 0.085 0.000 0.941 122 G HN 1.337 nan 8.290 nan 0.000 0.477 123 G N -0.415 108.585 108.800 0.332 0.000 5.528 123 G HA2 0.509 4.470 3.960 0.002 0.000 0.194 123 G HA3 0.509 4.470 3.960 0.002 0.000 0.194 123 G C 0.863 176.042 174.900 0.465 0.000 0.679 123 G CA 0.659 46.035 45.100 0.461 0.000 0.640 123 G HN 1.975 nan 8.290 nan 0.000 0.397 124 G N 0.186 109.239 108.800 0.422 0.000 2.212 124 G HA2 -0.252 3.709 3.960 0.002 0.000 0.267 124 G HA3 -0.252 3.709 3.960 0.002 0.000 0.267 124 G C 0.825 175.921 174.900 0.326 0.000 1.002 124 G CA 0.576 45.901 45.100 0.376 0.000 0.729 124 G HN 1.344 nan 8.290 nan 0.000 0.517 125 F N -1.772 118.350 119.950 0.288 0.000 3.006 125 F HA -0.228 4.300 4.527 0.002 0.000 0.289 125 F C 1.374 177.364 175.800 0.317 0.000 0.772 125 F CA 1.852 59.967 58.000 0.192 0.000 1.162 125 F CB -1.715 37.148 39.000 -0.228 0.000 1.382 125 F HN 0.523 nan 8.300 nan 0.000 0.406 126 E N -0.840 119.628 120.200 0.446 0.000 2.606 126 E HA 0.393 4.744 4.350 0.002 0.000 0.224 126 E C 0.043 176.844 176.600 0.336 0.000 0.930 126 E CA 0.402 57.044 56.400 0.404 0.000 1.125 126 E CB 0.818 30.747 29.700 0.382 0.000 1.123 126 E HN 0.290 nan 8.360 nan 0.000 0.522 127 L N -3.255 118.159 121.223 0.319 0.000 2.933 127 L HA 0.870 5.211 4.340 0.002 0.000 0.271 127 L C -0.106 176.872 176.870 0.179 0.000 1.071 127 L CA -0.578 54.390 54.840 0.213 0.000 0.938 127 L CB 0.639 42.812 42.059 0.191 0.000 1.534 127 L HN -0.021 nan 8.230 nan 0.000 0.396 128 G N -2.242 106.518 108.800 -0.066 0.000 2.479 128 G HA2 0.597 4.558 3.960 0.002 0.000 0.686 128 G HA3 0.597 4.558 3.960 0.002 0.000 0.686 128 G C -0.541 173.700 174.900 -1.098 0.000 1.295 128 G CA 0.054 44.883 45.100 -0.451 0.000 0.922 128 G HN 2.425 nan 8.290 nan 0.000 0.582 129 G N -1.873 105.935 108.800 -1.654 0.000 2.559 129 G HA2 0.749 4.711 3.960 0.002 0.000 0.291 129 G HA3 0.749 4.711 3.960 0.002 0.000 0.291 129 G C 0.893 175.354 174.900 -0.732 0.000 1.424 129 G CA 0.882 45.262 45.100 -1.200 0.000 0.786 129 G HN 2.079 nan 8.290 nan 0.000 0.485 130 S N -0.857 114.770 115.700 -0.121 0.000 2.461 130 S HA -0.080 4.391 4.470 0.002 0.000 0.228 130 S C 2.474 177.002 174.600 -0.120 0.000 1.005 130 S CA 1.789 60.103 58.200 0.190 0.000 0.942 130 S CB -0.333 63.078 63.200 0.352 0.000 0.776 130 S HN 1.525 nan 8.310 nan 0.000 0.514 131 S N 2.138 117.566 115.700 -0.452 0.000 2.382 131 S HA 0.049 4.521 4.470 0.002 0.000 0.228 131 S C 1.001 175.175 174.600 -0.711 0.000 1.027 131 S CA 0.288 57.878 58.200 -1.017 0.000 0.991 131 S CB -0.941 61.812 63.200 -0.745 0.000 0.823 131 S HN 0.524 nan 8.310 nan 0.000 0.469 132 L N 0.159 121.019 121.223 -0.604 0.000 2.470 132 L HA 0.258 4.599 4.340 0.002 0.000 0.243 132 L C 0.162 176.682 176.870 -0.583 0.000 1.227 132 L CA -0.734 53.658 54.840 -0.747 0.000 0.824 132 L CB -0.414 40.861 42.059 -1.306 0.000 1.175 132 L HN 0.311 nan 8.230 nan 0.000 0.503 133 F N -0.788 119.108 119.950 -0.090 0.000 2.738 133 F HA -0.151 4.378 4.527 0.002 0.000 0.232 133 F C -1.961 173.572 175.800 -0.445 0.000 1.025 133 F CA -0.940 56.879 58.000 -0.301 0.000 0.895 133 F CB -2.490 36.411 39.000 -0.165 0.000 0.839 133 F HN 0.239 nan 8.300 nan 0.000 0.850 134 P HA 0.166 nan 4.420 nan 0.000 0.271 134 P C 1.044 178.071 177.300 -0.455 0.000 1.218 134 P CA 0.467 63.396 63.100 -0.285 0.000 0.780 134 P CB 1.231 32.812 31.700 -0.198 0.000 0.901 135 G N 1.875 110.299 108.800 -0.627 0.000 2.880 135 G HA2 -0.107 3.854 3.960 0.002 0.000 0.209 135 G HA3 -0.107 3.854 3.960 0.002 0.000 0.209 135 G C 0.775 175.388 174.900 -0.478 0.000 1.157 135 G CA 0.065 44.527 45.100 -1.064 0.000 0.779 135 G HN 0.329 nan 8.290 nan 0.000 0.539 136 D N 0.650 120.882 120.400 -0.280 0.000 2.154 136 D HA -0.258 4.384 4.640 0.002 0.000 0.190 136 D C 2.185 178.414 176.300 -0.118 0.000 1.003 136 D CA 1.561 55.475 54.000 -0.142 0.000 0.849 136 D CB -0.304 40.441 40.800 -0.092 0.000 0.942 136 D HN 0.474 nan 8.370 nan 0.000 0.446 137 Q N -0.788 118.924 119.800 -0.145 0.000 2.181 137 Q HA -0.199 4.143 4.340 0.002 0.000 0.205 137 Q C 1.999 177.957 176.000 -0.070 0.000 0.980 137 Q CA 1.248 56.991 55.803 -0.099 0.000 0.862 137 Q CB -0.109 28.557 28.738 -0.120 0.000 0.905 137 Q HN 0.242 nan 8.270 nan 0.000 0.429 138 M N -0.764 118.786 119.600 -0.084 0.000 2.123 138 M HA -0.103 4.378 4.480 0.002 0.000 0.263 138 M C 1.773 178.080 176.300 0.011 0.000 1.069 138 M CA 1.287 56.580 55.300 -0.012 0.000 1.133 138 M CB -0.104 32.529 32.600 0.055 0.000 1.356 138 M HN 0.113 nan 8.290 nan 0.000 0.415 139 V N 0.639 120.555 119.914 0.003 0.000 2.237 139 V HA -0.262 3.859 4.120 0.002 0.000 0.245 139 V C 2.604 178.708 176.094 0.016 0.000 1.046 139 V CA 1.938 64.257 62.300 0.031 0.000 1.007 139 V CB -1.863 29.982 31.823 0.036 0.000 0.638 139 V HN 0.637 nan 8.190 nan 0.000 0.445 140 A N 0.328 123.147 122.820 -0.002 0.000 1.884 140 A HA -0.367 3.954 4.320 0.002 0.000 0.219 140 A C 2.233 179.817 177.584 0.000 0.000 1.197 140 A CA 2.832 54.869 52.037 -0.001 0.000 0.637 140 A CB -0.650 18.344 19.000 -0.010 0.000 0.827 140 A HN 0.497 nan 8.150 nan 0.000 0.450 141 K N 0.765 121.162 120.400 -0.004 0.000 2.097 141 K HA -0.126 4.196 4.320 0.002 0.000 0.206 141 K C 2.256 178.856 176.600 -0.000 0.000 1.049 141 K CA 2.162 58.446 56.287 -0.006 0.000 0.933 141 K CB -0.566 31.926 32.500 -0.013 0.000 0.717 141 K HN 0.596 nan 8.250 nan 0.000 0.442 142 S N -0.600 115.107 115.700 0.010 0.000 2.382 142 S HA -0.111 4.360 4.470 0.002 0.000 0.228 142 S C 2.041 176.650 174.600 0.014 0.000 1.027 142 S CA 1.340 59.550 58.200 0.016 0.000 0.991 142 S CB -0.775 62.443 63.200 0.030 0.000 0.823 142 S HN 0.052 nan 8.310 nan 0.000 0.469 143 V N 1.567 121.491 119.914 0.017 0.000 2.358 143 V HA -0.062 4.059 4.120 0.002 0.000 0.246 143 V C 2.510 178.609 176.094 0.008 0.000 1.047 143 V CA 1.591 63.901 62.300 0.017 0.000 1.035 143 V CB -0.896 30.939 31.823 0.020 0.000 0.658 143 V HN 0.419 nan 8.190 nan 0.000 0.452 144 L N 0.480 121.705 121.223 0.004 0.000 2.131 144 L HA -0.096 4.246 4.340 0.002 0.000 0.210 144 L C 2.157 179.022 176.870 -0.007 0.000 1.092 144 L CA 1.991 56.830 54.840 -0.002 0.000 0.759 144 L CB -0.441 41.615 42.059 -0.006 0.000 0.903 144 L HN 0.480 nan 8.230 nan 0.000 0.435 145 M N -3.372 116.223 119.600 -0.009 0.000 2.494 145 M HA 0.429 4.910 4.480 0.002 0.000 0.232 145 M C 1.311 177.605 176.300 -0.010 0.000 1.137 145 M CA 0.664 55.954 55.300 -0.016 0.000 1.012 145 M CB -0.221 32.365 32.600 -0.022 0.000 1.567 145 M HN 0.165 nan 8.290 nan 0.000 0.486 146 G N 2.141 110.940 108.800 -0.002 0.000 2.148 146 G HA2 -0.266 3.695 3.960 0.002 0.000 0.254 146 G HA3 -0.266 3.695 3.960 0.002 0.000 0.254 146 G C 0.001 174.903 174.900 0.004 0.000 0.981 146 G CA 0.288 45.389 45.100 0.001 0.000 0.670 146 G HN 0.597 nan 8.290 nan 0.000 0.528 147 K N 1.075 121.478 120.400 0.006 0.000 3.022 147 K HA 0.262 4.583 4.320 0.002 0.000 0.178 147 K C -2.590 174.020 176.600 0.016 0.000 1.089 147 K CA -1.596 54.696 56.287 0.008 0.000 0.916 147 K CB 2.077 34.580 32.500 0.004 0.000 1.159 147 K HN 0.226 nan 8.250 nan 0.000 0.592 148 P HA -0.061 nan 4.420 nan 0.000 0.265 148 P C -0.066 177.258 177.300 0.040 0.000 1.193 148 P CA 0.007 63.127 63.100 0.033 0.000 0.765 148 P CB 1.051 32.773 31.700 0.037 0.000 0.823 149 V N 1.652 121.598 119.914 0.052 0.000 3.074 149 V HA 0.623 4.744 4.120 0.002 0.000 0.314 149 V C -0.322 175.826 176.094 0.089 0.000 1.117 149 V CA -1.277 61.059 62.300 0.060 0.000 1.014 149 V CB 2.201 34.057 31.823 0.054 0.000 1.057 149 V HN 0.307 nan 8.190 nan 0.000 0.438 150 I N 2.475 123.101 120.570 0.094 0.000 2.377 150 I HA 0.437 4.608 4.170 0.002 0.000 0.293 150 I C -0.464 175.743 176.117 0.149 0.000 0.987 150 I CA -0.497 60.876 61.300 0.122 0.000 1.185 150 I CB 1.353 39.412 38.000 0.099 0.000 1.341 150 I HN 0.812 nan 8.210 nan 0.000 0.455 151 H N 6.391 125.517 119.070 0.092 0.000 2.473 151 H HA 0.604 5.161 4.556 0.002 0.000 0.327 151 H C -1.532 173.864 175.328 0.113 0.000 1.105 151 H CA -0.359 55.766 56.048 0.127 0.000 1.280 151 H CB 1.774 31.610 29.762 0.123 0.000 1.450 151 H HN 0.272 nan 8.280 nan 0.000 0.492 152 V N 3.798 123.605 119.914 -0.178 0.000 2.841 152 V HA 0.343 4.464 4.120 0.002 0.000 0.310 152 V C -0.631 175.431 176.094 -0.054 0.000 1.090 152 V CA -0.748 61.519 62.300 -0.054 0.000 0.930 152 V CB 1.913 33.701 31.823 -0.058 0.000 1.014 152 V HN 0.925 nan 8.190 nan 0.000 0.425 153 S N 4.592 120.352 115.700 0.100 0.000 2.541 153 S HA 0.921 5.392 4.470 0.002 0.000 0.271 153 S C -0.955 173.734 174.600 0.148 0.000 1.133 153 S CA -0.811 57.528 58.200 0.232 0.000 0.876 153 S CB 2.448 65.960 63.200 0.521 0.000 1.105 153 S HN 1.038 nan 8.310 nan 0.000 0.470 154 M N 1.063 120.757 119.600 0.157 0.000 2.619 154 M HA 0.592 5.073 4.480 0.002 0.000 0.297 154 M C -1.756 174.759 176.300 0.359 0.000 1.229 154 M CA -0.402 54.985 55.300 0.144 0.000 0.860 154 M CB 0.751 33.276 32.600 -0.125 0.000 1.741 154 M HN 0.798 nan 8.290 nan 0.000 0.462 155 N N 0.945 119.887 118.700 0.404 0.000 2.508 155 N HA 0.723 5.464 4.740 0.002 0.000 0.285 155 N C -1.688 174.099 175.510 0.462 0.000 1.144 155 N CA -0.351 52.965 53.050 0.444 0.000 0.978 155 N CB 1.300 39.935 38.487 0.246 0.000 1.180 155 N HN 0.686 nan 8.380 nan 0.000 0.484 156 Y N -1.956 118.546 120.300 0.337 0.000 2.571 156 Y HA 0.496 5.048 4.550 0.002 0.000 0.341 156 Y C -0.693 175.358 175.900 0.252 0.000 1.076 156 Y CA -1.428 56.801 58.100 0.216 0.000 1.029 156 Y CB 0.737 39.249 38.460 0.087 0.000 1.308 156 Y HN 0.212 nan 8.280 nan 0.000 0.461 157 R N 1.751 122.440 120.500 0.314 0.000 2.590 157 R HA 0.538 4.879 4.340 0.002 0.000 0.274 157 R C -0.387 176.158 176.300 0.407 0.000 1.061 157 R CA -0.220 56.030 56.100 0.250 0.000 1.081 157 R CB 0.978 31.399 30.300 0.202 0.000 0.984 157 R HN 0.707 nan 8.270 nan 0.000 0.448 158 V N -0.679 119.485 119.914 0.417 0.000 3.155 158 V HA 0.909 5.030 4.120 0.002 0.000 0.313 158 V C 0.541 176.981 176.094 0.577 0.000 1.162 158 V CA -0.378 62.285 62.300 0.605 0.000 1.048 158 V CB 1.176 33.268 31.823 0.448 0.000 1.092 158 V HN 1.070 nan 8.190 nan 0.000 0.447 159 A N 1.152 124.256 122.820 0.474 0.000 5.700 159 A HA -0.237 4.084 4.320 0.002 0.000 0.288 159 A C 1.921 179.197 177.584 -0.514 0.000 2.009 159 A CA 2.822 54.798 52.037 -0.102 0.000 0.716 159 A CB -2.515 16.563 19.000 0.129 0.000 1.208 159 A HN 2.655 nan 8.150 nan 0.000 0.371 160 S N -1.336 113.734 115.700 -1.049 0.000 2.382 160 S HA -0.193 4.279 4.470 0.002 0.000 0.228 160 S C 1.697 176.243 174.600 -0.091 0.000 1.027 160 S CA 1.828 59.640 58.200 -0.647 0.000 0.991 160 S CB -0.749 62.018 63.200 -0.720 0.000 0.823 160 S HN 0.812 nan 8.310 nan 0.000 0.469 161 W N 1.776 123.148 121.300 0.120 0.000 2.338 161 W HA 0.070 4.731 4.660 0.001 0.000 0.304 161 W C 2.555 179.155 176.519 0.136 0.000 1.212 161 W CA 1.063 58.500 57.345 0.154 0.000 1.264 161 W CB -1.147 28.347 29.460 0.057 0.000 1.142 161 W HN 0.604 nan 8.180 nan 0.000 0.512 162 G N -2.477 106.513 108.800 0.317 0.000 2.939 162 G HA2 0.094 4.055 3.960 0.002 0.000 0.216 162 G HA3 0.094 4.055 3.960 0.002 0.000 0.216 162 G C 0.349 174.938 174.900 -0.518 0.000 1.125 162 G CA -0.042 45.035 45.100 -0.038 0.000 0.766 162 G HN 0.089 nan 8.290 nan 0.000 0.541 163 F N 0.088 120.198 119.950 0.266 0.000 2.777 163 F HA 0.431 4.960 4.527 0.002 0.000 0.361 163 F C 0.021 175.976 175.800 0.259 0.000 1.254 163 F CA -1.008 57.140 58.000 0.247 0.000 1.181 163 F CB 0.643 39.806 39.000 0.271 0.000 1.082 163 F HN -0.121 nan 8.300 nan 0.000 0.510 164 L N 1.615 122.987 121.223 0.248 0.000 2.490 164 L HA 0.556 4.897 4.340 0.002 0.000 0.274 164 L C 0.312 177.210 176.870 0.048 0.000 1.201 164 L CA 0.352 55.268 54.840 0.127 0.000 0.869 164 L CB 0.284 42.212 42.059 -0.219 0.000 1.123 164 L HN 0.281 nan 8.230 nan 0.000 0.484 165 A N 2.705 125.532 122.820 0.010 0.000 3.458 165 A HA 0.992 5.313 4.320 0.002 0.000 0.205 165 A C 0.212 177.649 177.584 -0.245 0.000 1.060 165 A CA -0.157 51.839 52.037 -0.068 0.000 0.829 165 A CB 0.131 19.131 19.000 -0.001 0.000 1.419 165 A HN 1.712 nan 8.150 nan 0.000 0.644 166 G N -2.064 106.618 108.800 -0.196 0.000 2.655 166 G HA2 0.027 3.988 3.960 0.002 0.000 0.680 166 G HA3 0.027 3.988 3.960 0.002 0.000 0.680 166 G C -1.920 172.805 174.900 -0.292 0.000 1.302 166 G CA 0.010 44.944 45.100 -0.277 0.000 0.872 166 G HN 0.710 nan 8.290 nan 0.000 0.540 167 P HA -0.004 nan 4.420 nan 0.000 0.216 167 P C 0.924 178.113 177.300 -0.185 0.000 1.153 167 P CA 1.819 64.826 63.100 -0.155 0.000 0.844 167 P CB 0.083 31.741 31.700 -0.070 0.000 0.787 168 D N -0.085 120.138 120.400 -0.295 0.000 2.117 168 D HA -0.090 4.551 4.640 0.002 0.000 0.198 168 D C 2.145 178.323 176.300 -0.203 0.000 0.982 168 D CA 0.774 54.648 54.000 -0.210 0.000 0.828 168 D CB -0.393 40.303 40.800 -0.173 0.000 0.967 168 D HN 0.085 nan 8.370 nan 0.000 0.464 169 I N 0.944 121.320 120.570 -0.323 0.000 2.179 169 I HA -0.236 3.935 4.170 0.002 0.000 0.242 169 I C 2.472 178.534 176.117 -0.093 0.000 1.088 169 I CA 1.070 62.253 61.300 -0.195 0.000 1.357 169 I CB -0.929 36.928 38.000 -0.239 0.000 1.051 169 I HN 0.019 nan 8.210 nan 0.000 0.409 170 Q N 1.646 121.385 119.800 -0.102 0.000 2.061 170 Q HA -0.188 4.154 4.340 0.002 0.000 0.204 170 Q C 1.821 177.807 176.000 -0.022 0.000 0.984 170 Q CA 1.825 57.603 55.803 -0.042 0.000 0.846 170 Q CB -0.331 28.378 28.738 -0.047 0.000 0.902 170 Q HN 0.398 nan 8.270 nan 0.000 0.421 171 N N 0.233 118.911 118.700 -0.038 0.000 2.453 171 N HA -0.136 4.605 4.740 0.002 0.000 0.183 171 N C 1.152 176.661 175.510 -0.003 0.000 1.041 171 N CA 1.057 54.096 53.050 -0.018 0.000 0.900 171 N CB -0.050 38.425 38.487 -0.021 0.000 0.961 171 N HN 0.520 nan 8.380 nan 0.000 0.443 172 E N -0.053 120.145 120.200 -0.003 0.000 2.400 172 E HA 0.058 4.410 4.350 0.002 0.000 0.195 172 E C 0.397 177.019 176.600 0.036 0.000 1.012 172 E CA 0.278 56.688 56.400 0.017 0.000 0.875 172 E CB 0.139 29.849 29.700 0.016 0.000 0.859 172 E HN 0.269 nan 8.360 nan 0.000 0.498 173 G N 0.976 109.802 108.800 0.043 0.000 2.182 173 G HA2 -0.236 3.726 3.960 0.002 0.000 0.248 173 G HA3 -0.236 3.726 3.960 0.002 0.000 0.248 173 G C 0.445 175.407 174.900 0.103 0.000 1.042 173 G CA 0.589 45.744 45.100 0.093 0.000 0.775 173 G HN 0.243 nan 8.290 nan 0.000 0.501 174 S N 0.097 115.836 115.700 0.065 0.000 2.561 174 S HA 0.501 4.973 4.470 0.002 0.000 0.245 174 S C 1.320 175.973 174.600 0.088 0.000 1.001 174 S CA 0.163 58.398 58.200 0.058 0.000 1.002 174 S CB 0.659 63.900 63.200 0.068 0.000 0.805 174 S HN 1.163 nan 8.310 nan 0.000 0.458 175 G N 1.677 110.547 108.800 0.117 0.000 2.527 175 G HA2 0.296 4.257 3.960 0.002 0.000 0.248 175 G HA3 0.296 4.257 3.960 0.002 0.000 0.248 175 G C 0.183 175.187 174.900 0.174 0.000 1.231 175 G CA -0.501 44.673 45.100 0.123 0.000 0.838 175 G HN 0.398 nan 8.290 nan 0.000 0.570 176 N N -0.672 118.108 118.700 0.134 0.000 2.714 176 N HA -0.241 4.500 4.740 0.002 0.000 0.253 176 N C 1.439 176.948 175.510 -0.003 0.000 1.024 176 N CA 0.782 53.874 53.050 0.070 0.000 0.726 176 N CB -1.200 37.404 38.487 0.194 0.000 0.908 176 N HN 0.838 nan 8.380 nan 0.000 0.542 177 A N 0.333 123.107 122.820 -0.078 0.000 1.883 177 A HA -0.065 4.256 4.320 0.002 0.000 0.217 177 A C 2.312 179.860 177.584 -0.059 0.000 1.186 177 A CA 2.274 54.321 52.037 0.015 0.000 0.624 177 A CB -0.855 18.158 19.000 0.022 0.000 0.822 177 A HN 0.565 nan 8.150 nan 0.000 0.444 178 G N -0.577 107.994 108.800 -0.383 0.000 2.450 178 G HA2 -0.154 3.807 3.960 0.002 0.000 0.220 178 G HA3 -0.154 3.807 3.960 0.002 0.000 0.220 178 G C 1.533 176.419 174.900 -0.023 0.000 1.130 178 G CA 1.030 46.058 45.100 -0.119 0.000 0.760 178 G HN 0.444 nan 8.290 nan 0.000 0.557 179 L N -0.638 120.537 121.223 -0.080 0.000 2.156 179 L HA 0.012 4.354 4.340 0.002 0.000 0.208 179 L C 2.680 179.390 176.870 -0.266 0.000 1.095 179 L CA 0.603 55.353 54.840 -0.151 0.000 0.770 179 L CB -0.327 41.699 42.059 -0.056 0.000 0.914 179 L HN 0.227 nan 8.230 nan 0.000 0.439 180 H N -0.142 118.885 119.070 -0.072 0.000 2.423 180 H HA -0.140 4.418 4.556 0.002 0.000 0.297 180 H C 1.639 176.949 175.328 -0.029 0.000 1.075 180 H CA 1.361 57.373 56.048 -0.061 0.000 1.342 180 H CB 0.079 29.826 29.762 -0.024 0.000 1.395 180 H HN 0.378 nan 8.280 nan 0.000 0.530 181 D N 0.787 121.273 120.400 0.143 0.000 2.097 181 D HA -0.124 4.517 4.640 0.002 0.000 0.195 181 D C 2.232 178.606 176.300 0.122 0.000 0.989 181 D CA 0.844 54.987 54.000 0.238 0.000 0.827 181 D CB -0.228 40.756 40.800 0.306 0.000 0.966 181 D HN 0.477 nan 8.370 nan 0.000 0.456 182 Q N 0.085 119.860 119.800 -0.041 0.000 2.084 182 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 182 Q C 2.232 178.059 176.000 -0.288 0.000 0.978 182 Q CA 1.047 56.734 55.803 -0.195 0.000 0.844 182 Q CB -0.011 28.602 28.738 -0.208 0.000 0.898 182 Q HN 0.011 nan 8.270 nan 0.000 0.426 183 R N 0.732 121.077 120.500 -0.259 0.000 2.081 183 R HA -0.131 4.210 4.340 0.002 0.000 0.235 183 R C 1.995 178.163 176.300 -0.220 0.000 1.131 183 R CA 0.930 56.831 56.100 -0.333 0.000 0.960 183 R CB -0.591 29.440 30.300 -0.448 0.000 0.856 183 R HN 0.238 nan 8.270 nan 0.000 0.436 184 L N 0.089 121.265 121.223 -0.077 0.000 2.046 184 L HA 0.006 4.348 4.340 0.002 0.000 0.208 184 L C 2.037 178.826 176.870 -0.135 0.000 1.077 184 L CA 2.222 57.068 54.840 0.009 0.000 0.747 184 L CB -0.978 41.231 42.059 0.251 0.000 0.896 184 L HN 0.238 nan 8.230 nan 0.000 0.432 185 A N -0.658 121.902 122.820 -0.433 0.000 1.908 185 A HA -0.266 4.055 4.320 0.002 0.000 0.218 185 A C 2.276 179.659 177.584 -0.335 0.000 1.181 185 A CA 2.301 53.867 52.037 -0.783 0.000 0.627 185 A CB -0.604 17.786 19.000 -1.017 0.000 0.818 185 A HN 0.559 nan 8.150 nan 0.000 0.445 186 M N -1.031 118.379 119.600 -0.316 0.000 2.159 186 M HA -0.217 4.264 4.480 0.002 0.000 0.263 186 M C 2.359 178.532 176.300 -0.211 0.000 1.063 186 M CA 1.661 56.811 55.300 -0.250 0.000 1.110 186 M CB -0.384 32.023 32.600 -0.321 0.000 1.374 186 M HN 0.487 nan 8.290 nan 0.000 0.411 187 Q N -1.202 118.411 119.800 -0.312 0.000 2.172 187 Q HA -0.198 4.143 4.340 0.002 0.000 0.200 187 Q C 1.817 177.706 176.000 -0.185 0.000 0.964 187 Q CA 1.373 56.844 55.803 -0.553 0.000 0.855 187 Q CB -0.217 28.003 28.738 -0.862 0.000 0.918 187 Q HN 0.651 nan 8.270 nan 0.000 0.444 188 W N 0.491 121.661 121.300 -0.218 0.000 2.388 188 W HA -0.176 4.485 4.660 0.002 0.000 0.294 188 W C 1.750 178.217 176.519 -0.087 0.000 1.212 188 W CA 1.075 58.360 57.345 -0.101 0.000 1.271 188 W CB 0.032 29.414 29.460 -0.130 0.000 1.126 188 W HN -0.174 nan 8.180 nan 0.000 0.535 189 V N 1.207 121.230 119.914 0.182 0.000 2.358 189 V HA -0.292 3.829 4.120 0.002 0.000 0.246 189 V C 2.513 178.567 176.094 -0.067 0.000 1.047 189 V CA 2.050 64.393 62.300 0.071 0.000 1.035 189 V CB -1.607 30.255 31.823 0.065 0.000 0.658 189 V HN 0.321 nan 8.190 nan 0.000 0.452 190 A N -0.055 122.743 122.820 -0.036 0.000 1.908 190 A HA -0.264 4.058 4.320 0.002 0.000 0.218 190 A C 1.980 179.561 177.584 -0.006 0.000 1.181 190 A CA 2.193 54.243 52.037 0.021 0.000 0.627 190 A CB -0.524 18.560 19.000 0.140 0.000 0.818 190 A HN 0.573 nan 8.150 nan 0.000 0.445 191 D N -0.730 119.633 120.400 -0.061 0.000 2.213 191 D HA -0.031 4.610 4.640 0.002 0.000 0.205 191 D C 1.295 177.440 176.300 -0.258 0.000 0.961 191 D CA 0.849 54.779 54.000 -0.116 0.000 0.853 191 D CB -0.226 40.520 40.800 -0.089 0.000 0.967 191 D HN 0.497 nan 8.370 nan 0.000 0.496 192 N N 0.071 118.478 118.700 -0.489 0.000 2.273 192 N HA 0.020 4.761 4.740 0.002 0.000 0.192 192 N C 1.650 177.048 175.510 -0.186 0.000 1.132 192 N CA -0.156 52.578 53.050 -0.527 0.000 0.887 192 N CB 0.946 38.667 38.487 -1.276 0.000 1.048 192 N HN 0.024 nan 8.380 nan 0.000 0.490 193 I N 2.526 123.009 120.570 -0.145 0.000 2.361 193 I HA -0.172 3.999 4.170 0.002 0.000 0.251 193 I C 2.268 178.465 176.117 0.133 0.000 1.133 193 I CA 0.611 61.939 61.300 0.047 0.000 1.413 193 I CB -0.379 37.618 38.000 -0.004 0.000 1.073 193 I HN 0.044 nan 8.210 nan 0.000 0.424 194 A N 0.112 122.952 122.820 0.034 0.000 1.917 194 A HA -0.197 4.124 4.320 0.002 0.000 0.219 194 A C 2.460 180.048 177.584 0.008 0.000 1.182 194 A CA 1.868 53.915 52.037 0.017 0.000 0.633 194 A CB -1.707 17.281 19.000 -0.019 0.000 0.819 194 A HN 0.480 nan 8.150 nan 0.000 0.448 195 G N -1.951 106.826 108.800 -0.039 0.000 2.470 195 G HA2 -0.092 3.869 3.960 0.002 0.000 0.220 195 G HA3 -0.092 3.869 3.960 0.002 0.000 0.220 195 G C 1.093 175.825 174.900 -0.280 0.000 1.121 195 G CA 0.945 45.934 45.100 -0.185 0.000 0.766 195 G HN 0.482 nan 8.290 nan 0.000 0.553 196 F N 0.019 119.884 119.950 -0.141 0.000 2.776 196 F HA 0.349 4.877 4.527 0.002 0.000 0.300 196 F C 2.001 177.770 175.800 -0.051 0.000 1.116 196 F CA 0.458 58.365 58.000 -0.156 0.000 1.375 196 F CB 0.589 39.483 39.000 -0.177 0.000 1.109 196 F HN 0.241 nan 8.300 nan 0.000 0.585 197 G N -0.176 108.696 108.800 0.120 0.000 2.175 197 G HA2 -0.078 3.884 3.960 0.002 0.000 0.182 197 G HA3 -0.078 3.884 3.960 0.002 0.000 0.182 197 G C 0.482 175.432 174.900 0.082 0.000 1.003 197 G CA -0.411 44.741 45.100 0.086 0.000 0.666 197 G HN 0.694 nan 8.290 nan 0.000 0.506 198 G N -0.797 108.058 108.800 0.091 0.000 2.521 198 G HA2 0.541 4.502 3.960 0.002 0.000 0.323 198 G HA3 0.541 4.502 3.960 0.002 0.000 0.323 198 G C -1.258 173.664 174.900 0.037 0.000 1.211 198 G CA 0.107 45.245 45.100 0.062 0.000 0.979 198 G HN 0.193 nan 8.290 nan 0.000 0.490 199 D N 0.033 120.447 120.400 0.025 0.000 2.453 199 D HA 0.305 4.947 4.640 0.002 0.000 0.238 199 D C -1.354 174.952 176.300 0.010 0.000 1.088 199 D CA -2.134 51.873 54.000 0.013 0.000 0.854 199 D CB 2.212 43.016 40.800 0.008 0.000 1.076 199 D HN 0.036 nan 8.370 nan 0.000 0.533 200 P HA -0.126 nan 4.420 nan 0.000 0.226 200 P C 0.826 178.134 177.300 0.012 0.000 1.146 200 P CA 0.656 63.762 63.100 0.010 0.000 0.773 200 P CB 0.213 31.916 31.700 0.005 0.000 0.772 201 S N -1.520 114.183 115.700 0.004 0.000 2.575 201 S HA 0.152 4.623 4.470 0.002 0.000 0.215 201 S C 1.053 175.650 174.600 -0.004 0.000 0.966 201 S CA -0.198 58.001 58.200 -0.002 0.000 0.911 201 S CB -0.389 62.806 63.200 -0.008 0.000 0.780 201 S HN 0.112 nan 8.310 nan 0.000 0.514 202 K N 1.678 122.078 120.400 0.000 0.000 3.167 202 K HA 0.391 4.712 4.320 0.002 0.000 0.208 202 K C -1.274 175.326 176.600 0.001 0.000 1.159 202 K CA -0.195 56.086 56.287 -0.009 0.000 1.018 202 K CB 1.404 33.895 32.500 -0.015 0.000 0.927 202 K HN 0.147 nan 8.250 nan 0.000 0.476 203 V N 1.271 121.201 119.914 0.026 0.000 2.407 203 V HA 0.225 4.346 4.120 0.002 0.000 0.278 203 V C 0.172 176.308 176.094 0.071 0.000 1.037 203 V CA -0.301 62.028 62.300 0.048 0.000 0.900 203 V CB 1.596 33.462 31.823 0.072 0.000 0.983 203 V HN 0.261 nan 8.190 nan 0.000 0.459 204 T N 6.539 121.112 114.554 0.031 0.000 2.792 204 T HA 0.596 4.947 4.350 0.002 0.000 0.280 204 T C -0.173 174.552 174.700 0.042 0.000 0.990 204 T CA -0.193 61.920 62.100 0.022 0.000 0.960 204 T CB 0.821 69.663 68.868 -0.043 0.000 0.939 204 T HN 0.594 nan 8.240 nan 0.000 0.439 205 I N 2.301 122.862 120.570 -0.014 0.000 2.428 205 I HA 0.835 5.007 4.170 0.002 0.000 0.296 205 I C -0.702 175.479 176.117 0.107 0.000 0.985 205 I CA -1.198 60.077 61.300 -0.043 0.000 1.260 205 I CB 1.091 38.873 38.000 -0.362 0.000 1.389 205 I HN 0.782 nan 8.210 nan 0.000 0.484 206 Y N 2.516 122.756 120.300 -0.099 0.000 2.624 206 Y HA 0.910 5.461 4.550 0.002 0.000 0.334 206 Y C -0.587 175.234 175.900 -0.132 0.000 1.155 206 Y CA -0.970 57.103 58.100 -0.044 0.000 1.046 206 Y CB 1.661 40.177 38.460 0.094 0.000 1.316 206 Y HN 0.952 nan 8.280 nan 0.000 0.457 207 G N 1.081 109.724 108.800 -0.261 0.000 2.576 207 G HA2 0.446 4.408 3.960 0.002 0.000 0.290 207 G HA3 0.446 4.408 3.960 0.002 0.000 0.290 207 G C -2.508 172.196 174.900 -0.326 0.000 1.442 207 G CA -0.865 43.785 45.100 -0.749 0.000 0.792 207 G HN 0.718 nan 8.290 nan 0.000 0.491 208 E N 0.259 120.210 120.200 -0.414 0.000 2.248 208 E HA 0.634 4.985 4.350 0.002 0.000 0.267 208 E C 0.584 177.089 176.600 -0.158 0.000 0.877 208 E CA 0.345 56.660 56.400 -0.143 0.000 0.759 208 E CB 2.079 31.755 29.700 -0.039 0.000 1.182 208 E HN 1.026 nan 8.360 nan 0.000 0.418 209 S N 3.103 118.794 115.700 -0.016 0.000 4.116 209 S HA -0.389 4.083 4.470 0.002 0.000 0.623 209 S C 1.481 176.144 174.600 0.105 0.000 1.933 209 S CA 2.172 60.497 58.200 0.209 0.000 4.224 209 S CB -1.632 61.703 63.200 0.224 0.000 0.208 209 S HN 1.039 nan 8.310 nan 0.000 0.527 210 A N 0.897 123.689 122.820 -0.046 0.000 2.024 210 A HA 0.118 4.439 4.320 0.002 0.000 0.220 210 A C 2.422 179.739 177.584 -0.445 0.000 1.164 210 A CA 2.492 54.194 52.037 -0.557 0.000 0.643 210 A CB -1.505 16.837 19.000 -1.097 0.000 0.806 210 A HN 1.673 nan 8.150 nan 0.000 0.451 211 G N -1.621 106.974 108.800 -0.342 0.000 2.511 211 G HA2 0.002 3.964 3.960 0.002 0.000 0.217 211 G HA3 0.002 3.964 3.960 0.002 0.000 0.217 211 G C 1.730 176.430 174.900 -0.334 0.000 1.133 211 G CA 1.199 46.035 45.100 -0.441 0.000 0.792 211 G HN 0.545 nan 8.290 nan 0.000 0.539 212 S N -0.158 115.429 115.700 -0.189 0.000 2.388 212 S HA 0.047 4.519 4.470 0.002 0.000 0.223 212 S C 2.436 177.011 174.600 -0.042 0.000 1.034 212 S CA 0.657 58.797 58.200 -0.099 0.000 0.963 212 S CB -0.226 62.967 63.200 -0.011 0.000 0.827 212 S HN 0.327 nan 8.310 nan 0.000 0.481 213 M N 0.900 120.516 119.600 0.026 0.000 2.175 213 M HA -0.042 4.439 4.480 0.002 0.000 0.264 213 M C 2.315 178.682 176.300 0.113 0.000 1.063 213 M CA 1.151 56.510 55.300 0.097 0.000 1.119 213 M CB -0.478 32.243 32.600 0.202 0.000 1.377 213 M HN 0.255 nan 8.290 nan 0.000 0.415 214 S N 0.061 115.784 115.700 0.038 0.000 2.368 214 S HA -0.120 4.352 4.470 0.002 0.000 0.225 214 S C 1.962 176.468 174.600 -0.156 0.000 1.030 214 S CA 1.788 59.933 58.200 -0.090 0.000 0.999 214 S CB -0.455 62.623 63.200 -0.204 0.000 0.844 214 S HN 0.471 nan 8.310 nan 0.000 0.459 215 T N 1.884 116.375 114.554 -0.105 0.000 2.746 215 T HA -0.075 4.276 4.350 0.002 0.000 0.267 215 T C 1.428 176.051 174.700 -0.129 0.000 1.039 215 T CA 1.271 63.307 62.100 -0.106 0.000 1.142 215 T CB -0.431 68.347 68.868 -0.150 0.000 0.866 215 T HN 0.466 nan 8.240 nan 0.000 0.444 216 F N 2.027 121.850 119.950 -0.213 0.000 2.102 216 F HA -0.126 4.403 4.527 0.002 0.000 0.298 216 F C 2.183 177.919 175.800 -0.107 0.000 1.105 216 F CA 0.805 58.667 58.000 -0.230 0.000 1.239 216 F CB -0.736 38.084 39.000 -0.301 0.000 0.991 216 F HN -0.089 nan 8.300 nan 0.000 0.474 217 V N 0.642 120.413 119.914 -0.238 0.000 2.392 217 V HA -0.345 3.776 4.120 0.002 0.000 0.249 217 V C 2.471 178.417 176.094 -0.246 0.000 1.059 217 V CA 2.279 64.425 62.300 -0.256 0.000 1.051 217 V CB -1.033 30.714 31.823 -0.127 0.000 0.658 217 V HN 0.457 nan 8.190 nan 0.000 0.455 218 H N -0.620 118.351 119.070 -0.165 0.000 2.491 218 H HA 0.004 4.561 4.556 0.002 0.000 0.290 218 H C 2.222 177.595 175.328 0.075 0.000 1.050 218 H CA 1.219 57.191 56.048 -0.126 0.000 1.309 218 H CB -0.038 29.509 29.762 -0.358 0.000 1.392 218 H HN 0.373 nan 8.280 nan 0.000 0.554 219 L N 0.385 121.621 121.223 0.021 0.000 2.109 219 L HA -0.087 4.254 4.340 0.002 0.000 0.207 219 L C 2.345 179.333 176.870 0.196 0.000 1.086 219 L CA 0.929 55.876 54.840 0.177 0.000 0.760 219 L CB -0.151 41.907 42.059 -0.002 0.000 0.910 219 L HN 0.135 nan 8.230 nan 0.000 0.437 220 V N -5.389 114.509 119.914 -0.027 0.000 3.650 220 V HA 0.012 4.133 4.120 0.002 0.000 0.271 220 V C 0.888 177.082 176.094 0.167 0.000 1.281 220 V CA -0.801 61.537 62.300 0.064 0.000 1.120 220 V CB -0.753 31.024 31.823 -0.077 0.000 0.856 220 V HN 0.321 nan 8.190 nan 0.000 0.443 221 W N 3.126 124.437 121.300 0.018 0.000 2.343 221 W HA 0.043 4.704 4.660 0.002 0.000 0.337 221 W C 0.487 177.070 176.519 0.107 0.000 1.320 221 W CA 0.696 58.087 57.345 0.076 0.000 1.290 221 W CB -0.014 29.519 29.460 0.121 0.000 1.206 221 W HN 0.573 nan 8.180 nan 0.000 0.565 222 N N 4.414 123.032 118.700 -0.137 0.000 2.727 222 N HA -0.243 4.498 4.740 0.002 0.000 0.249 222 N C -0.147 175.358 175.510 -0.008 0.000 1.048 222 N CA 1.917 54.900 53.050 -0.111 0.000 0.714 222 N CB -1.417 37.092 38.487 0.035 0.000 0.959 222 N HN 0.488 nan 8.380 nan 0.000 0.544 223 D N -1.798 118.596 120.400 -0.009 0.000 2.811 223 D HA -0.204 4.437 4.640 0.002 0.000 0.231 223 D C 1.191 177.522 176.300 0.051 0.000 1.157 223 D CA 2.218 56.224 54.000 0.010 0.000 0.716 223 D CB -1.400 39.381 40.800 -0.030 0.000 1.077 223 D HN 0.904 nan 8.370 nan 0.000 0.428 224 G N -0.020 108.858 108.800 0.131 0.000 2.175 224 G HA2 -0.293 3.668 3.960 0.002 0.000 0.244 224 G HA3 -0.293 3.668 3.960 0.002 0.000 0.244 224 G C -0.115 174.873 174.900 0.147 0.000 0.982 224 G CA 0.192 45.398 45.100 0.177 0.000 0.641 224 G HN 0.517 nan 8.290 nan 0.000 0.527 225 D N 1.434 121.909 120.400 0.125 0.000 2.441 225 D HA 0.322 4.964 4.640 0.002 0.000 0.221 225 D C 1.213 177.604 176.300 0.151 0.000 1.156 225 D CA -0.295 53.763 54.000 0.097 0.000 0.896 225 D CB -0.053 40.789 40.800 0.070 0.000 1.028 225 D HN 0.323 nan 8.370 nan 0.000 0.509 226 N N 1.991 120.741 118.700 0.083 0.000 2.279 226 N HA -0.010 4.731 4.740 0.002 0.000 0.226 226 N C -0.459 175.059 175.510 0.013 0.000 1.126 226 N CA -0.404 52.676 53.050 0.050 0.000 0.846 226 N CB 0.022 38.380 38.487 -0.214 0.000 1.050 226 N HN 0.040 nan 8.380 nan 0.000 0.502 227 T N 1.427 116.015 114.554 0.056 0.000 2.851 227 T HA 0.124 4.475 4.350 0.002 0.000 0.298 227 T C -1.240 173.557 174.700 0.161 0.000 0.977 227 T CA 0.153 62.288 62.100 0.059 0.000 1.126 227 T CB 0.426 69.310 68.868 0.026 0.000 0.916 227 T HN 0.323 nan 8.240 nan 0.000 0.529 228 Y N 3.908 124.214 120.300 0.010 0.000 2.354 228 Y HA 0.376 4.927 4.550 0.002 0.000 0.330 228 Y C 0.349 176.259 175.900 0.017 0.000 1.011 228 Y CA -1.235 56.885 58.100 0.034 0.000 1.099 228 Y CB 0.793 39.277 38.460 0.039 0.000 1.179 228 Y HN 0.723 nan 8.280 nan 0.000 0.442 229 N N 4.084 122.421 118.700 -0.605 0.000 2.725 229 N HA -0.190 4.551 4.740 0.002 0.000 0.249 229 N C 0.738 176.101 175.510 -0.245 0.000 1.103 229 N CA 2.261 54.985 53.050 -0.544 0.000 0.707 229 N CB -1.164 36.790 38.487 -0.887 0.000 1.043 229 N HN 1.706 nan 8.380 nan 0.000 0.553 230 G N -2.057 106.659 108.800 -0.140 0.000 2.213 230 G HA2 -0.284 3.677 3.960 0.002 0.000 0.236 230 G HA3 -0.284 3.677 3.960 0.002 0.000 0.236 230 G C -0.095 174.776 174.900 -0.049 0.000 0.991 230 G CA 0.585 45.638 45.100 -0.079 0.000 0.629 230 G HN 0.682 nan 8.290 nan 0.000 0.517 231 K N 0.178 120.559 120.400 -0.032 0.000 2.482 231 K HA 0.578 4.899 4.320 0.002 0.000 0.257 231 K C -3.115 173.484 176.600 -0.003 0.000 0.969 231 K CA -2.298 53.980 56.287 -0.016 0.000 0.842 231 K CB 2.618 35.113 32.500 -0.009 0.000 1.359 231 K HN -0.080 nan 8.250 nan 0.000 0.441 232 P HA 0.075 nan 4.420 nan 0.000 0.268 232 P C 0.159 177.391 177.300 -0.113 0.000 1.205 232 P CA -0.052 62.973 63.100 -0.126 0.000 0.771 232 P CB 0.516 32.111 31.700 -0.175 0.000 0.858 233 L N 2.228 123.349 121.223 -0.170 0.000 2.291 233 L HA 0.038 4.379 4.340 0.002 0.000 0.214 233 L C 0.542 177.445 176.870 0.056 0.000 1.120 233 L CA 1.095 55.916 54.840 -0.030 0.000 0.799 233 L CB -0.405 41.685 42.059 0.052 0.000 0.925 233 L HN 0.461 nan 8.230 nan 0.000 0.446 234 F N -3.215 116.733 119.950 -0.002 0.000 2.693 234 F HA 0.421 4.950 4.527 0.002 0.000 0.309 234 F C 0.428 176.233 175.800 0.009 0.000 1.129 234 F CA -1.471 56.520 58.000 -0.013 0.000 0.948 234 F CB 0.971 39.952 39.000 -0.032 0.000 1.315 234 F HN -0.197 nan 8.300 nan 0.000 0.447 235 R N 0.889 121.498 120.500 0.183 0.000 2.404 235 R HA 0.863 5.205 4.340 0.002 0.000 0.237 235 R C -0.309 176.073 176.300 0.137 0.000 0.907 235 R CA 0.298 56.451 56.100 0.088 0.000 1.063 235 R CB 0.814 31.117 30.300 0.006 0.000 1.134 235 R HN 0.948 nan 8.270 nan 0.000 0.529 236 A N 0.303 123.254 122.820 0.219 0.000 2.601 236 A HA 0.839 5.160 4.320 0.002 0.000 0.291 236 A C -1.752 175.947 177.584 0.191 0.000 1.075 236 A CA -0.459 51.667 52.037 0.149 0.000 0.671 236 A CB 1.392 20.247 19.000 -0.242 0.000 1.277 236 A HN 0.283 nan 8.150 nan 0.000 0.417 237 A N 0.304 123.275 122.820 0.251 0.000 2.515 237 A HA 0.808 5.129 4.320 0.002 0.000 0.298 237 A C -1.279 176.379 177.584 0.124 0.000 1.059 237 A CA -0.333 51.766 52.037 0.102 0.000 0.698 237 A CB 0.970 19.941 19.000 -0.048 0.000 1.289 237 A HN 0.955 nan 8.150 nan 0.000 0.404 238 I N 1.721 122.307 120.570 0.027 0.000 2.447 238 I HA 0.377 4.549 4.170 0.002 0.000 0.287 238 I C -0.759 175.347 176.117 -0.019 0.000 1.023 238 I CA -0.214 61.027 61.300 -0.097 0.000 1.083 238 I CB 2.020 39.838 38.000 -0.304 0.000 1.245 238 I HN 0.627 nan 8.210 nan 0.000 0.434 239 M N 6.029 125.606 119.600 -0.038 0.000 2.044 239 M HA 0.337 4.818 4.480 0.002 0.000 0.333 239 M C -0.741 175.614 176.300 0.092 0.000 1.004 239 M CA -0.325 54.964 55.300 -0.020 0.000 0.954 239 M CB 1.384 33.900 32.600 -0.141 0.000 1.468 239 M HN 0.445 nan 8.290 nan 0.000 0.414 240 Q N 2.125 122.031 119.800 0.177 0.000 2.441 240 Q HA 0.356 4.697 4.340 0.002 0.000 0.234 240 Q C -0.548 175.526 176.000 0.123 0.000 1.078 240 Q CA -0.329 55.648 55.803 0.290 0.000 0.907 240 Q CB 0.776 29.725 28.738 0.352 0.000 1.269 240 Q HN 0.792 nan 8.270 nan 0.000 0.502 241 S N 1.537 117.292 115.700 0.091 0.000 3.644 241 S HA 0.020 4.491 4.470 0.002 0.000 0.584 241 S C 0.002 174.788 174.600 0.310 0.000 0.658 241 S CA 0.278 58.547 58.200 0.115 0.000 1.414 241 S CB -1.159 62.019 63.200 -0.037 0.000 0.901 241 S HN 1.178 nan 8.310 nan 0.000 0.867 242 G N -0.078 108.904 108.800 0.303 0.000 2.627 242 G HA2 0.326 4.288 3.960 0.002 0.000 0.680 242 G HA3 0.326 4.288 3.960 0.002 0.000 0.680 242 G C 0.090 174.946 174.900 -0.073 0.000 1.341 242 G CA -0.192 45.051 45.100 0.239 0.000 0.835 242 G HN 1.859 nan 8.290 nan 0.000 0.643 243 C N 0.774 119.913 119.300 -0.269 0.000 3.556 243 C HA 0.860 5.321 4.460 0.002 0.000 0.089 243 C C 1.074 175.530 174.990 -0.890 0.000 2.529 243 C CA 0.021 58.677 59.018 -0.604 0.000 1.460 243 C CB -0.471 26.717 27.740 -0.919 0.000 2.626 243 C HN 0.959 nan 8.230 nan 0.000 0.451 244 M N 2.683 121.428 119.600 -1.425 0.000 2.248 244 M HA 0.325 4.806 4.480 0.002 0.000 0.343 244 M C -0.287 175.726 176.300 -0.478 0.000 1.243 244 M CA 0.647 55.260 55.300 -1.144 0.000 1.025 244 M CB 0.085 31.942 32.600 -1.238 0.000 1.759 244 M HN 0.421 nan 8.290 nan 0.000 0.452 245 V N 6.329 126.077 119.914 -0.277 0.000 2.432 245 V HA 0.294 4.416 4.120 0.002 0.000 0.275 245 V C -1.757 174.146 176.094 -0.318 0.000 1.043 245 V CA -1.234 60.928 62.300 -0.230 0.000 0.925 245 V CB 1.098 32.798 31.823 -0.205 0.000 0.985 245 V HN 0.717 nan 8.190 nan 0.000 0.466 246 P HA 0.146 nan 4.420 nan 0.000 0.225 246 P C -0.278 176.502 177.300 -0.867 0.000 1.813 246 P CA 0.086 62.774 63.100 -0.687 0.000 1.013 246 P CB 0.103 31.711 31.700 -0.153 0.000 1.961 247 S N 0.284 115.434 115.700 -0.917 0.000 2.566 247 S HA 0.519 4.990 4.470 0.002 0.000 0.298 247 S C -0.376 174.103 174.600 -0.202 0.000 1.083 247 S CA -0.838 57.112 58.200 -0.417 0.000 0.978 247 S CB 1.519 64.584 63.200 -0.225 0.000 1.073 247 S HN -0.053 nan 8.310 nan 0.000 0.491 248 D N 2.389 122.828 120.400 0.065 0.000 2.377 248 D HA 0.427 5.069 4.640 0.002 0.000 0.245 248 D C -2.098 174.247 176.300 0.075 0.000 1.196 248 D CA -1.112 52.980 54.000 0.153 0.000 0.962 248 D CB 0.244 41.160 40.800 0.194 0.000 1.127 248 D HN 0.356 nan 8.370 nan 0.000 0.471 249 P HA -0.046 nan 4.420 nan 0.000 0.271 249 P C 1.117 178.439 177.300 0.037 0.000 1.244 249 P CA -0.324 62.803 63.100 0.045 0.000 0.793 249 P CB 0.718 32.440 31.700 0.038 0.000 0.984 250 V N 0.931 120.861 119.914 0.027 0.000 2.278 250 V HA -0.258 3.863 4.120 0.002 0.000 0.251 250 V C 1.616 177.705 176.094 -0.008 0.000 1.062 250 V CA 2.735 65.044 62.300 0.016 0.000 1.038 250 V CB -1.562 30.270 31.823 0.015 0.000 0.646 250 V HN 0.674 nan 8.190 nan 0.000 0.447 251 D N 0.022 120.416 120.400 -0.010 0.000 2.352 251 D HA 0.193 4.834 4.640 0.002 0.000 0.236 251 D C 0.818 177.124 176.300 0.011 0.000 1.148 251 D CA 0.456 54.444 54.000 -0.021 0.000 0.844 251 D CB -0.537 40.247 40.800 -0.026 0.000 0.933 251 D HN 0.346 nan 8.370 nan 0.000 0.507 252 G N -0.474 108.347 108.800 0.034 0.000 2.588 252 G HA2 0.193 4.154 3.960 0.002 0.000 0.278 252 G HA3 0.193 4.154 3.960 0.002 0.000 0.278 252 G C 0.994 175.939 174.900 0.075 0.000 1.307 252 G CA -0.128 45.013 45.100 0.069 0.000 1.016 252 G HN 0.083 nan 8.290 nan 0.000 0.503 253 T N -0.818 113.799 114.554 0.106 0.000 2.595 253 T HA -0.217 4.135 4.350 0.002 0.000 0.264 253 T C 1.964 176.742 174.700 0.130 0.000 1.058 253 T CA 1.951 64.111 62.100 0.100 0.000 1.166 253 T CB -0.437 68.482 68.868 0.085 0.000 0.863 253 T HN 0.394 nan 8.240 nan 0.000 0.415 254 Y N 1.656 121.950 120.300 -0.011 0.000 2.314 254 Y HA 0.113 4.665 4.550 0.003 0.000 0.293 254 Y C 2.495 178.371 175.900 -0.041 0.000 1.129 254 Y CA 0.625 58.702 58.100 -0.038 0.000 1.201 254 Y CB -0.856 37.571 38.460 -0.054 0.000 0.999 254 Y HN 0.217 nan 8.280 nan 0.000 0.541 255 G N -1.522 107.284 108.800 0.009 0.000 2.418 255 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 255 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 255 G C 1.704 176.567 174.900 -0.062 0.000 1.158 255 G CA 1.457 46.518 45.100 -0.065 0.000 0.771 255 G HN 0.380 nan 8.290 nan 0.000 0.545 256 T N 0.218 114.762 114.554 -0.016 0.000 2.821 256 T HA -0.045 4.306 4.350 0.002 0.000 0.267 256 T C 2.084 176.800 174.700 0.027 0.000 1.046 256 T CA 1.362 63.480 62.100 0.030 0.000 1.139 256 T CB -0.087 68.801 68.868 0.034 0.000 0.871 256 T HN 0.495 nan 8.240 nan 0.000 0.454 257 E N 0.421 120.592 120.200 -0.049 0.000 2.077 257 E HA -0.127 4.224 4.350 0.002 0.000 0.193 257 E C 2.024 178.510 176.600 -0.189 0.000 0.989 257 E CA 0.855 57.198 56.400 -0.095 0.000 0.800 257 E CB -0.013 29.642 29.700 -0.074 0.000 0.746 257 E HN 0.286 nan 8.360 nan 0.000 0.452 258 I N 0.644 121.018 120.570 -0.327 0.000 2.252 258 I HA -0.248 3.924 4.170 0.002 0.000 0.245 258 I C 2.356 178.388 176.117 -0.141 0.000 1.102 258 I CA 1.168 62.260 61.300 -0.348 0.000 1.385 258 I CB -1.360 36.314 38.000 -0.543 0.000 1.064 258 I HN 0.280 nan 8.210 nan 0.000 0.414 259 Y N 2.910 123.098 120.300 -0.187 0.000 2.128 259 Y HA -0.273 4.278 4.550 0.002 0.000 0.284 259 Y C 2.409 178.240 175.900 -0.115 0.000 1.154 259 Y CA 1.827 59.845 58.100 -0.138 0.000 1.149 259 Y CB -0.493 37.890 38.460 -0.128 0.000 0.976 259 Y HN 0.225 nan 8.280 nan 0.000 0.505 260 N N 0.423 119.015 118.700 -0.180 0.000 2.166 260 N HA -0.224 4.517 4.740 0.002 0.000 0.186 260 N C 1.900 177.274 175.510 -0.227 0.000 1.019 260 N CA 1.591 54.492 53.050 -0.249 0.000 0.856 260 N CB -0.571 37.860 38.487 -0.093 0.000 0.993 260 N HN 0.615 nan 8.380 nan 0.000 0.426 261 Q N 0.693 120.391 119.800 -0.171 0.000 2.084 261 Q HA -0.055 4.286 4.340 0.002 0.000 0.202 261 Q C 1.823 177.735 176.000 -0.146 0.000 0.978 261 Q CA 1.075 56.797 55.803 -0.136 0.000 0.844 261 Q CB 0.193 28.860 28.738 -0.117 0.000 0.898 261 Q HN 0.080 nan 8.270 nan 0.000 0.426 262 V N -0.191 119.620 119.914 -0.173 0.000 2.358 262 V HA -0.214 3.907 4.120 0.002 0.000 0.246 262 V C 2.252 178.224 176.094 -0.204 0.000 1.047 262 V CA 1.329 63.534 62.300 -0.158 0.000 1.035 262 V CB -0.289 31.456 31.823 -0.131 0.000 0.658 262 V HN 0.253 nan 8.190 nan 0.000 0.452 263 V N 0.339 120.049 119.914 -0.341 0.000 2.295 263 V HA -0.263 3.859 4.120 0.002 0.000 0.246 263 V C 2.699 178.678 176.094 -0.191 0.000 1.049 263 V CA 2.147 64.248 62.300 -0.331 0.000 1.024 263 V CB -1.067 30.434 31.823 -0.537 0.000 0.648 263 V HN 0.559 nan 8.190 nan 0.000 0.447 264 A N -0.642 122.075 122.820 -0.173 0.000 1.873 264 A HA -0.192 4.129 4.320 0.002 0.000 0.215 264 A C 2.467 180.004 177.584 -0.079 0.000 1.186 264 A CA 2.166 54.138 52.037 -0.108 0.000 0.616 264 A CB -0.737 18.206 19.000 -0.095 0.000 0.823 264 A HN 0.491 nan 8.150 nan 0.000 0.442 265 S N -0.288 115.363 115.700 -0.082 0.000 2.419 265 S HA 0.014 4.485 4.470 0.002 0.000 0.233 265 S C 2.020 176.593 174.600 -0.044 0.000 1.016 265 S CA 0.992 59.158 58.200 -0.057 0.000 0.974 265 S CB -0.284 62.881 63.200 -0.058 0.000 0.786 265 S HN 0.768 nan 8.310 nan 0.000 0.492 266 A N 0.240 123.027 122.820 -0.055 0.000 2.169 266 A HA 0.463 4.784 4.320 0.002 0.000 0.212 266 A C 1.660 179.232 177.584 -0.020 0.000 1.153 266 A CA 0.885 52.903 52.037 -0.030 0.000 0.756 266 A CB -0.652 18.327 19.000 -0.035 0.000 0.813 266 A HN 0.883 nan 8.150 nan 0.000 0.471 267 G N -2.666 106.116 108.800 -0.031 0.000 2.132 267 G HA2 -0.260 3.702 3.960 0.002 0.000 0.234 267 G HA3 -0.260 3.702 3.960 0.002 0.000 0.234 267 G C 0.486 175.373 174.900 -0.022 0.000 0.989 267 G CA 0.228 45.316 45.100 -0.021 0.000 0.676 267 G HN 0.609 nan 8.290 nan 0.000 0.522 268 c N 0.887 119.463 118.600 -0.039 0.000 2.780 268 c HA 0.493 5.064 4.570 0.002 0.000 0.287 268 c C 2.686 176.745 174.090 -0.051 0.000 1.288 268 c CA 0.481 56.788 56.329 -0.037 0.000 1.713 268 c CB -0.799 41.687 42.510 -0.040 0.000 1.955 268 c HN 0.793 nan 8.230 nan 0.000 0.613 269 G N 0.879 109.645 108.800 -0.056 0.000 2.450 269 G HA2 -0.176 3.786 3.960 0.002 0.000 0.220 269 G HA3 -0.176 3.786 3.960 0.002 0.000 0.220 269 G C 1.596 176.476 174.900 -0.033 0.000 1.130 269 G CA 1.222 46.289 45.100 -0.056 0.000 0.760 269 G HN 0.557 nan 8.290 nan 0.000 0.557 270 S N 0.191 115.879 115.700 -0.020 0.000 2.556 270 S HA 0.542 5.014 4.470 0.002 0.000 0.216 270 S C 1.181 175.780 174.600 -0.002 0.000 0.970 270 S CA 0.011 58.206 58.200 -0.009 0.000 0.912 270 S CB 0.378 63.574 63.200 -0.006 0.000 0.790 270 S HN 0.642 nan 8.310 nan 0.000 0.504 271 A N 1.455 124.274 122.820 -0.001 0.000 2.531 271 A HA 0.300 4.621 4.320 0.002 0.000 0.236 271 A C 1.540 179.134 177.584 0.016 0.000 1.062 271 A CA 0.155 52.198 52.037 0.010 0.000 0.760 271 A CB 0.118 19.127 19.000 0.014 0.000 0.995 271 A HN 0.266 nan 8.150 nan 0.000 0.501 272 S N 0.403 116.115 115.700 0.020 0.000 2.383 272 S HA -0.096 4.375 4.470 0.002 0.000 0.227 272 S C 0.588 175.207 174.600 0.031 0.000 1.026 272 S CA 1.507 59.721 58.200 0.023 0.000 0.981 272 S CB -0.104 63.108 63.200 0.021 0.000 0.818 272 S HN 0.792 nan 8.310 nan 0.000 0.472 273 D N 0.286 120.709 120.400 0.037 0.000 2.438 273 D HA 0.312 4.953 4.640 0.002 0.000 0.257 273 D C 0.481 176.818 176.300 0.062 0.000 1.148 273 D CA -0.283 53.748 54.000 0.051 0.000 0.902 273 D CB 1.024 41.854 40.800 0.050 0.000 1.062 273 D HN 0.208 nan 8.370 nan 0.000 0.518 274 K N 1.728 122.171 120.400 0.072 0.000 2.063 274 K HA -0.145 4.176 4.320 0.002 0.000 0.208 274 K C 1.692 178.359 176.600 0.111 0.000 1.048 274 K CA 0.753 57.084 56.287 0.073 0.000 0.928 274 K CB 0.249 32.798 32.500 0.082 0.000 0.713 274 K HN 0.256 nan 8.250 nan 0.000 0.442 275 L N 1.073 122.385 121.223 0.148 0.000 2.017 275 L HA -0.137 4.204 4.340 0.002 0.000 0.208 275 L C 2.370 179.351 176.870 0.184 0.000 1.073 275 L CA 1.795 56.744 54.840 0.181 0.000 0.745 275 L CB -1.056 41.091 42.059 0.148 0.000 0.894 275 L HN 0.166 nan 8.230 nan 0.000 0.432 276 A N -1.769 121.126 122.820 0.125 0.000 1.940 276 A HA -0.303 4.018 4.320 0.002 0.000 0.219 276 A C 2.583 180.224 177.584 0.095 0.000 1.176 276 A CA 1.857 53.955 52.037 0.101 0.000 0.631 276 A CB -1.466 17.577 19.000 0.071 0.000 0.814 276 A HN 0.612 nan 8.150 nan 0.000 0.446 277 c N -0.592 118.059 118.600 0.086 0.000 2.446 277 c HA -0.002 4.570 4.570 0.002 0.000 0.277 277 c C 2.619 176.763 174.090 0.090 0.000 1.275 277 c CA 1.105 57.475 56.329 0.069 0.000 1.727 277 c CB -1.528 41.008 42.510 0.044 0.000 2.010 277 c HN 0.592 nan 8.230 nan 0.000 0.486 278 L N 0.260 121.563 121.223 0.133 0.000 2.046 278 L HA -0.113 4.228 4.340 0.002 0.000 0.208 278 L C 2.946 179.938 176.870 0.204 0.000 1.077 278 L CA 1.650 56.605 54.840 0.193 0.000 0.747 278 L CB -0.690 41.552 42.059 0.305 0.000 0.896 278 L HN 0.326 nan 8.230 nan 0.000 0.432 279 R N -0.239 120.382 120.500 0.201 0.000 2.189 279 R HA -0.072 4.270 4.340 0.002 0.000 0.223 279 R C 1.888 178.221 176.300 0.055 0.000 1.092 279 R CA 0.967 57.121 56.100 0.090 0.000 0.989 279 R CB -0.348 30.005 30.300 0.087 0.000 0.876 279 R HN 0.367 nan 8.270 nan 0.000 0.457 280 G N 0.040 108.881 108.800 0.068 0.000 3.284 280 G HA2 0.160 4.121 3.960 0.002 0.000 0.236 280 G HA3 0.160 4.121 3.960 0.002 0.000 0.236 280 G C 0.240 175.171 174.900 0.051 0.000 1.158 280 G CA -0.343 44.787 45.100 0.050 0.000 0.774 280 G HN 0.007 nan 8.290 nan 0.000 0.545 281 L N 1.697 122.959 121.223 0.064 0.000 2.418 281 L HA 0.345 4.686 4.340 0.002 0.000 0.265 281 L C 1.183 178.095 176.870 0.070 0.000 1.143 281 L CA -0.738 54.142 54.840 0.066 0.000 0.809 281 L CB 1.345 43.451 42.059 0.079 0.000 1.124 281 L HN 0.178 nan 8.230 nan 0.000 0.456 282 S N 0.497 116.237 115.700 0.068 0.000 2.589 282 S HA -0.028 4.443 4.470 0.002 0.000 0.265 282 S C 0.698 175.359 174.600 0.102 0.000 1.342 282 S CA -0.307 57.935 58.200 0.069 0.000 1.005 282 S CB 1.021 64.257 63.200 0.060 0.000 0.909 282 S HN 0.759 nan 8.310 nan 0.000 0.555 283 Q N 0.118 119.978 119.800 0.100 0.000 2.170 283 Q HA -0.196 4.145 4.340 0.002 0.000 0.203 283 Q C 1.486 177.608 176.000 0.202 0.000 0.976 283 Q CA 2.002 57.894 55.803 0.147 0.000 0.858 283 Q CB -0.269 28.518 28.738 0.081 0.000 0.907 283 Q HN 0.951 nan 8.270 nan 0.000 0.433 284 D N -1.247 119.242 120.400 0.148 0.000 2.149 284 D HA -0.107 4.534 4.640 0.002 0.000 0.201 284 D C 1.552 177.988 176.300 0.227 0.000 0.972 284 D CA 1.638 55.749 54.000 0.184 0.000 0.835 284 D CB 0.048 40.915 40.800 0.111 0.000 0.966 284 D HN 0.155 nan 8.370 nan 0.000 0.476 285 T N 0.348 114.996 114.554 0.157 0.000 2.746 285 T HA -0.141 4.210 4.350 0.002 0.000 0.267 285 T C 1.726 176.500 174.700 0.124 0.000 1.039 285 T CA 0.981 63.153 62.100 0.120 0.000 1.142 285 T CB -0.363 68.554 68.868 0.081 0.000 0.866 285 T HN 0.103 nan 8.240 nan 0.000 0.444 286 L N 0.423 121.742 121.223 0.159 0.000 2.083 286 L HA -0.017 4.324 4.340 0.002 0.000 0.209 286 L C 2.082 179.029 176.870 0.128 0.000 1.083 286 L CA 1.628 56.536 54.840 0.113 0.000 0.752 286 L CB -0.957 41.199 42.059 0.161 0.000 0.899 286 L HN 0.315 nan 8.230 nan 0.000 0.433 287 Y N -0.160 120.286 120.300 0.243 0.000 2.145 287 Y HA -0.249 4.302 4.550 0.002 0.000 0.286 287 Y C 2.538 178.538 175.900 0.166 0.000 1.145 287 Y CA 1.960 60.262 58.100 0.337 0.000 1.148 287 Y CB -0.217 38.441 38.460 0.329 0.000 0.981 287 Y HN 0.280 nan 8.280 nan 0.000 0.507 288 Q N 0.320 120.177 119.800 0.096 0.000 2.096 288 Q HA -0.186 4.156 4.340 0.002 0.000 0.204 288 Q C 2.562 178.513 176.000 -0.082 0.000 0.982 288 Q CA 1.597 57.391 55.803 -0.015 0.000 0.850 288 Q CB -1.038 27.750 28.738 0.084 0.000 0.901 288 Q HN 0.630 nan 8.270 nan 0.000 0.422 289 A N 0.441 123.229 122.820 -0.053 0.000 1.933 289 A HA -0.135 4.186 4.320 0.002 0.000 0.218 289 A C 2.315 179.837 177.584 -0.103 0.000 1.175 289 A CA 1.910 53.904 52.037 -0.070 0.000 0.628 289 A CB -0.723 18.240 19.000 -0.061 0.000 0.814 289 A HN 0.393 nan 8.150 nan 0.000 0.444 290 T N 0.515 114.967 114.554 -0.169 0.000 2.867 290 T HA -0.107 4.244 4.350 0.002 0.000 0.268 290 T C 2.183 176.818 174.700 -0.108 0.000 1.057 290 T CA 1.662 63.658 62.100 -0.173 0.000 1.136 290 T CB -0.348 68.275 68.868 -0.409 0.000 0.874 290 T HN 0.782 nan 8.240 nan 0.000 0.466 291 S N 1.532 117.106 115.700 -0.209 0.000 2.481 291 S HA -0.077 4.394 4.470 0.002 0.000 0.231 291 S C 1.193 175.758 174.600 -0.059 0.000 0.996 291 S CA 0.572 58.675 58.200 -0.162 0.000 0.942 291 S CB -0.245 62.799 63.200 -0.260 0.000 0.768 291 S HN 0.307 nan 8.310 nan 0.000 0.520 292 D N 2.459 122.827 120.400 -0.053 0.000 2.352 292 D HA 0.095 4.736 4.640 0.002 0.000 0.232 292 D C 0.659 176.951 176.300 -0.014 0.000 1.055 292 D CA 0.595 54.578 54.000 -0.029 0.000 0.891 292 D CB 0.082 40.860 40.800 -0.037 0.000 0.897 292 D HN 0.707 nan 8.370 nan 0.000 0.529 293 T N -1.726 112.833 114.554 0.009 0.000 2.912 293 T HA 0.514 4.865 4.350 0.002 0.000 0.288 293 T C -2.819 171.912 174.700 0.051 0.000 1.030 293 T CA -2.052 60.055 62.100 0.011 0.000 1.020 293 T CB 2.660 71.528 68.868 -0.000 0.000 1.056 293 T HN -0.243 nan 8.240 nan 0.000 0.480 294 P HA 0.294 nan 4.420 nan 0.000 0.271 294 P C 0.394 177.762 177.300 0.114 0.000 1.216 294 P CA 0.017 63.169 63.100 0.087 0.000 0.776 294 P CB 0.522 32.288 31.700 0.110 0.000 0.881 295 G N 0.968 109.835 108.800 0.112 0.000 2.547 295 G HA2 0.201 4.162 3.960 0.002 0.000 0.291 295 G HA3 0.201 4.162 3.960 0.002 0.000 0.291 295 G C 1.006 175.966 174.900 0.100 0.000 1.211 295 G CA -0.574 44.600 45.100 0.123 0.000 0.950 295 G HN 0.384 nan 8.290 nan 0.000 0.504 296 V N 0.023 119.983 119.914 0.077 0.000 2.490 296 V HA -0.056 4.065 4.120 0.002 0.000 0.250 296 V C 2.228 178.327 176.094 0.008 0.000 1.061 296 V CA 1.606 63.922 62.300 0.026 0.000 1.064 296 V CB -0.488 31.288 31.823 -0.078 0.000 0.670 296 V HN 0.505 nan 8.190 nan 0.000 0.461 297 L N 0.451 121.658 121.223 -0.027 0.000 2.592 297 L HA 0.393 4.735 4.340 0.002 0.000 0.227 297 L C 1.256 178.180 176.870 0.090 0.000 1.127 297 L CA 0.206 55.059 54.840 0.022 0.000 0.884 297 L CB -0.571 41.448 42.059 -0.066 0.000 1.065 297 L HN 0.393 nan 8.230 nan 0.000 0.457 298 A N -0.886 121.994 122.820 0.100 0.000 2.280 298 A HA 0.018 4.340 4.320 0.002 0.000 0.268 298 A C 0.860 178.564 177.584 0.200 0.000 1.111 298 A CA -0.167 51.953 52.037 0.140 0.000 0.814 298 A CB 0.011 19.089 19.000 0.130 0.000 1.093 298 A HN 0.237 nan 8.150 nan 0.000 0.498 299 Y N 1.126 121.482 120.300 0.094 0.000 2.139 299 Y HA -0.163 4.389 4.550 0.002 0.000 0.282 299 Y C -0.457 175.568 175.900 0.209 0.000 1.179 299 Y CA 2.970 61.148 58.100 0.129 0.000 1.161 299 Y CB -0.866 37.654 38.460 0.099 0.000 0.970 299 Y HN 0.495 nan 8.280 nan 0.000 0.511 300 P HA -0.125 nan 4.420 nan 0.000 0.228 300 P C 1.024 178.297 177.300 -0.045 0.000 1.151 300 P CA 1.498 64.585 63.100 -0.022 0.000 0.770 300 P CB -0.072 31.648 31.700 0.033 0.000 0.786 301 S N 0.144 115.879 115.700 0.058 0.000 4.050 301 S HA -0.279 4.192 4.470 0.002 0.000 0.602 301 S C 1.297 175.902 174.600 0.009 0.000 2.030 301 S CA 1.541 59.797 58.200 0.093 0.000 4.208 301 S CB -1.520 61.769 63.200 0.148 0.000 0.290 301 S HN 0.168 nan 8.310 nan 0.000 0.615 302 L N 1.300 122.480 121.223 -0.072 0.000 2.551 302 L HA -0.041 4.301 4.340 0.002 0.000 0.230 302 L C 1.876 178.667 176.870 -0.133 0.000 1.163 302 L CA 1.173 55.910 54.840 -0.171 0.000 0.826 302 L CB -0.588 41.295 42.059 -0.293 0.000 0.943 302 L HN 0.373 nan 8.230 nan 0.000 0.452 303 R N 1.554 121.964 120.500 -0.149 0.000 3.701 303 R HA 0.205 4.546 4.340 0.002 0.000 0.210 303 R C -0.231 176.049 176.300 -0.033 0.000 1.598 303 R CA -0.301 55.688 56.100 -0.185 0.000 1.427 303 R CB -0.250 29.829 30.300 -0.368 0.000 1.339 303 R HN 0.231 nan 8.270 nan 0.000 0.720 304 L N 1.457 122.692 121.223 0.020 0.000 2.485 304 L HA -0.019 4.323 4.340 0.002 0.000 0.275 304 L C 1.489 178.424 176.870 0.109 0.000 1.207 304 L CA 0.026 54.917 54.840 0.086 0.000 0.855 304 L CB 1.125 43.239 42.059 0.092 0.000 1.114 304 L HN 0.475 nan 8.230 nan 0.000 0.485 305 S N 0.779 116.470 115.700 -0.014 0.000 2.461 305 S HA 0.015 4.487 4.470 0.002 0.000 0.228 305 S C -0.412 173.724 174.600 -0.774 0.000 1.005 305 S CA 0.868 58.809 58.200 -0.431 0.000 0.942 305 S CB -0.042 62.808 63.200 -0.583 0.000 0.776 305 S HN 0.409 nan 8.310 nan 0.000 0.514 306 Y N 0.990 121.343 120.300 0.089 0.000 2.354 306 Y HA 0.678 5.230 4.550 0.002 0.000 0.330 306 Y C -0.404 175.451 175.900 -0.076 0.000 1.011 306 Y CA -1.249 56.907 58.100 0.094 0.000 1.099 306 Y CB 1.204 39.804 38.460 0.233 0.000 1.179 306 Y HN 0.005 nan 8.280 nan 0.000 0.442 307 L N 0.474 121.594 121.223 -0.171 0.000 2.940 307 L HA 0.806 5.147 4.340 0.002 0.000 0.270 307 L C -3.362 173.121 176.870 -0.646 0.000 1.030 307 L CA -2.572 51.824 54.840 -0.740 0.000 0.928 307 L CB 2.287 44.083 42.059 -0.439 0.000 1.506 307 L HN 0.153 nan 8.230 nan 0.000 0.405 308 P HA 0.338 nan 4.420 nan 0.000 0.268 308 P C -1.373 175.831 177.300 -0.160 0.000 1.205 308 P CA 0.105 63.008 63.100 -0.328 0.000 0.771 308 P CB 0.516 31.993 31.700 -0.372 0.000 0.858 309 R N 3.367 123.858 120.500 -0.015 0.000 2.698 309 R HA 0.427 4.769 4.340 0.002 0.000 0.275 309 R C -2.764 173.551 176.300 0.024 0.000 1.001 309 R CA -2.312 53.782 56.100 -0.010 0.000 0.896 309 R CB 1.597 31.906 30.300 0.014 0.000 1.218 309 R HN 0.242 nan 8.270 nan 0.000 0.462 310 P HA -0.049 nan 4.420 nan 0.000 0.264 310 P C -0.376 176.942 177.300 0.029 0.000 1.193 310 P CA 0.527 63.644 63.100 0.029 0.000 0.763 310 P CB 0.527 32.251 31.700 0.041 0.000 0.810 311 D N 1.349 121.763 120.400 0.024 0.000 2.479 311 D HA 0.185 4.827 4.640 0.002 0.000 0.216 311 D C 1.318 177.617 176.300 -0.001 0.000 1.110 311 D CA 0.200 54.221 54.000 0.035 0.000 0.841 311 D CB -0.060 40.798 40.800 0.098 0.000 1.040 311 D HN 0.461 nan 8.370 nan 0.000 0.505 312 G N -0.618 108.159 108.800 -0.037 0.000 2.241 312 G HA2 -0.339 3.622 3.960 0.002 0.000 0.244 312 G HA3 -0.339 3.622 3.960 0.002 0.000 0.244 312 G C 1.211 176.021 174.900 -0.149 0.000 0.998 312 G CA 0.767 45.825 45.100 -0.071 0.000 0.621 312 G HN 0.372 nan 8.290 nan 0.000 0.519 313 T N -0.777 113.641 114.554 -0.226 0.000 3.138 313 T HA 0.379 4.731 4.350 0.002 0.000 0.245 313 T C 1.810 176.044 174.700 -0.777 0.000 0.982 313 T CA 1.142 62.946 62.100 -0.493 0.000 1.134 313 T CB -0.027 68.467 68.868 -0.623 0.000 1.032 313 T HN 0.167 nan 8.240 nan 0.000 0.442 314 F N 0.952 120.637 119.950 -0.441 0.000 2.274 314 F HA 0.472 5.000 4.527 0.002 0.000 0.288 314 F C 0.939 176.309 175.800 -0.717 0.000 1.069 314 F CA 0.261 57.690 58.000 -0.951 0.000 1.343 314 F CB 0.263 38.276 39.000 -1.645 0.000 1.089 314 F HN -0.044 nan 8.300 nan 0.000 0.517 315 I N 1.676 122.095 120.570 -0.253 0.000 2.442 315 I HA 0.081 4.252 4.170 0.002 0.000 0.279 315 I C 1.175 177.247 176.117 -0.074 0.000 1.081 315 I CA -0.177 61.067 61.300 -0.093 0.000 1.197 315 I CB 0.827 38.828 38.000 0.001 0.000 1.394 315 I HN 0.151 nan 8.210 nan 0.000 0.488 316 T N 0.095 114.594 114.554 -0.092 0.000 3.007 316 T HA -0.069 4.283 4.350 0.002 0.000 0.270 316 T C 0.423 175.109 174.700 -0.022 0.000 1.107 316 T CA 0.941 62.996 62.100 -0.076 0.000 1.118 316 T CB 0.056 68.870 68.868 -0.089 0.000 0.889 316 T HN 0.579 nan 8.240 nan 0.000 0.506 317 D N -0.655 119.755 120.400 0.017 0.000 2.738 317 D HA 0.172 4.813 4.640 0.002 0.000 0.308 317 D C -1.812 174.547 176.300 0.098 0.000 1.311 317 D CA -0.702 53.327 54.000 0.048 0.000 0.799 317 D CB 0.746 41.571 40.800 0.042 0.000 1.332 317 D HN -0.036 nan 8.370 nan 0.000 0.441 318 D N 1.200 121.682 120.400 0.136 0.000 2.772 318 D HA -0.102 4.539 4.640 0.002 0.000 0.227 318 D C 1.277 177.721 176.300 0.240 0.000 1.114 318 D CA 0.582 54.728 54.000 0.244 0.000 0.832 318 D CB 0.566 41.514 40.800 0.247 0.000 1.154 318 D HN 0.442 nan 8.370 nan 0.000 0.514 319 M N 3.578 123.317 119.600 0.233 0.000 2.279 319 M HA -0.220 4.262 4.480 0.002 0.000 0.264 319 M C 1.227 177.653 176.300 0.209 0.000 1.062 319 M CA 1.087 56.528 55.300 0.235 0.000 1.099 319 M CB -0.142 32.565 32.600 0.177 0.000 1.394 319 M HN 0.520 nan 8.290 nan 0.000 0.426 320 Y N -0.020 120.345 120.300 0.108 0.000 2.263 320 Y HA -0.053 4.499 4.550 0.002 0.000 0.292 320 Y C 2.633 178.581 175.900 0.079 0.000 1.130 320 Y CA 1.324 59.428 58.100 0.006 0.000 1.179 320 Y CB -0.728 37.645 38.460 -0.146 0.000 0.998 320 Y HN 0.198 nan 8.280 nan 0.000 0.532 321 A N 0.073 123.036 122.820 0.238 0.000 1.902 321 A HA -0.148 4.173 4.320 0.002 0.000 0.217 321 A C 2.242 179.910 177.584 0.139 0.000 1.181 321 A CA 1.436 53.557 52.037 0.141 0.000 0.623 321 A CB -1.102 17.965 19.000 0.112 0.000 0.818 321 A HN 0.452 nan 8.150 nan 0.000 0.443 322 L N -0.380 120.951 121.223 0.180 0.000 2.043 322 L HA -0.221 4.120 4.340 0.002 0.000 0.212 322 L C 2.538 179.577 176.870 0.282 0.000 1.075 322 L CA 1.474 56.431 54.840 0.194 0.000 0.752 322 L CB -0.660 41.531 42.059 0.220 0.000 0.891 322 L HN 0.281 nan 8.230 nan 0.000 0.432 323 V N 0.335 120.468 119.914 0.366 0.000 2.358 323 V HA -0.242 3.879 4.120 0.002 0.000 0.246 323 V C 2.513 178.834 176.094 0.379 0.000 1.047 323 V CA 2.116 64.715 62.300 0.497 0.000 1.035 323 V CB -0.784 31.304 31.823 0.441 0.000 0.658 323 V HN 0.592 nan 8.190 nan 0.000 0.452 324 R N 0.366 120.933 120.500 0.111 0.000 2.236 324 R HA -0.022 4.319 4.340 0.002 0.000 0.208 324 R C 0.860 177.225 176.300 0.109 0.000 1.036 324 R CA 1.309 57.407 56.100 -0.004 0.000 1.001 324 R CB -0.380 29.642 30.300 -0.464 0.000 0.896 324 R HN 0.390 nan 8.270 nan 0.000 0.464 325 D N 0.671 121.126 120.400 0.090 0.000 2.342 325 D HA 0.116 4.758 4.640 0.002 0.000 0.221 325 D C 0.782 177.060 176.300 -0.036 0.000 1.101 325 D CA 0.718 54.741 54.000 0.039 0.000 0.837 325 D CB 0.796 41.612 40.800 0.026 0.000 0.938 325 D HN 0.502 nan 8.370 nan 0.000 0.508 326 G N 1.801 110.552 108.800 -0.081 0.000 2.168 326 G HA2 -0.357 3.604 3.960 0.002 0.000 0.257 326 G HA3 -0.357 3.604 3.960 0.002 0.000 0.257 326 G C 0.445 174.877 174.900 -0.779 0.000 0.997 326 G CA -0.038 44.742 45.100 -0.534 0.000 0.708 326 G HN 0.336 nan 8.290 nan 0.000 0.520 327 K N 0.372 120.541 120.400 -0.385 0.000 2.751 327 K HA 0.447 4.769 4.320 0.002 0.000 0.252 327 K C -0.197 176.381 176.600 -0.036 0.000 1.277 327 K CA -0.115 56.063 56.287 -0.180 0.000 1.226 327 K CB -0.211 32.273 32.500 -0.026 0.000 1.658 327 K HN 0.669 nan 8.250 nan 0.000 0.303 328 Y N -2.550 117.860 120.300 0.184 0.000 2.597 328 Y HA 0.604 5.155 4.550 0.002 0.000 0.340 328 Y C -0.525 175.557 175.900 0.303 0.000 1.097 328 Y CA -2.156 56.084 58.100 0.233 0.000 1.037 328 Y CB 0.441 39.096 38.460 0.324 0.000 1.305 328 Y HN 0.026 nan 8.280 nan 0.000 0.463 329 A N 0.615 123.770 122.820 0.557 0.000 2.445 329 A HA 0.358 4.679 4.320 0.002 0.000 0.242 329 A C -1.039 176.912 177.584 0.612 0.000 1.075 329 A CA -0.327 51.988 52.037 0.464 0.000 0.777 329 A CB -0.393 18.803 19.000 0.328 0.000 1.013 329 A HN 0.775 nan 8.150 nan 0.000 0.493 330 H N 0.500 119.713 119.070 0.239 0.000 2.908 330 H HA 0.437 4.995 4.556 0.002 0.000 0.269 330 H C 0.080 175.525 175.328 0.195 0.000 1.303 330 H CA 0.192 56.362 56.048 0.203 0.000 1.341 330 H CB 0.140 29.962 29.762 0.099 0.000 1.519 330 H HN 0.577 nan 8.280 nan 0.000 0.505 331 V N 1.010 121.144 119.914 0.366 0.000 3.078 331 V HA 0.718 4.839 4.120 0.002 0.000 0.311 331 V C -2.776 173.533 176.094 0.358 0.000 1.138 331 V CA -2.796 59.696 62.300 0.320 0.000 1.007 331 V CB 3.080 35.122 31.823 0.365 0.000 1.045 331 V HN 0.297 nan 8.190 nan 0.000 0.432 332 P HA 0.465 nan 4.420 nan 0.000 0.274 332 P C -0.720 176.910 177.300 0.550 0.000 1.231 332 P CA -0.047 63.295 63.100 0.404 0.000 0.790 332 P CB 1.634 33.560 31.700 0.376 0.000 0.951 333 V N -0.044 120.145 119.914 0.459 0.000 3.049 333 V HA 0.636 4.757 4.120 0.002 0.000 0.309 333 V C -0.790 175.276 176.094 -0.047 0.000 1.148 333 V CA -1.051 61.398 62.300 0.250 0.000 0.990 333 V CB 2.156 34.036 31.823 0.095 0.000 1.039 333 V HN 0.336 nan 8.190 nan 0.000 0.430 334 I N 3.731 124.140 120.570 -0.269 0.000 2.465 334 I HA 0.647 4.818 4.170 0.002 0.000 0.291 334 I C -0.873 175.192 176.117 -0.086 0.000 1.014 334 I CA -0.579 60.541 61.300 -0.300 0.000 1.093 334 I CB 1.959 39.572 38.000 -0.645 0.000 1.267 334 I HN 0.740 nan 8.210 nan 0.000 0.431 335 I N 5.044 125.616 120.570 0.002 0.000 2.571 335 I HA 0.767 4.938 4.170 0.002 0.000 0.289 335 I C -0.689 175.255 176.117 -0.287 0.000 1.115 335 I CA 0.032 61.274 61.300 -0.097 0.000 1.045 335 I CB 1.816 39.722 38.000 -0.156 0.000 1.238 335 I HN 0.676 nan 8.210 nan 0.000 0.424 336 G N 5.159 113.530 108.800 -0.716 0.000 2.727 336 G HA2 0.576 4.537 3.960 0.002 0.000 0.289 336 G HA3 0.576 4.537 3.960 0.002 0.000 0.289 336 G C -2.036 172.395 174.900 -0.782 0.000 1.418 336 G CA -0.400 43.787 45.100 -1.522 0.000 0.818 336 G HN 0.515 nan 8.290 nan 0.000 0.486 337 D N -0.882 119.230 120.400 -0.480 0.000 2.579 337 D HA 0.379 5.021 4.640 0.002 0.000 0.257 337 D C -0.835 175.556 176.300 0.151 0.000 1.176 337 D CA -0.417 53.566 54.000 -0.027 0.000 0.914 337 D CB 2.271 43.120 40.800 0.082 0.000 1.431 337 D HN 0.110 nan 8.370 nan 0.000 0.454 338 Q N 0.937 120.830 119.800 0.154 0.000 2.245 338 Q HA 0.238 4.579 4.340 0.002 0.000 0.256 338 Q C 0.760 176.860 176.000 0.166 0.000 0.942 338 Q CA -0.251 55.650 55.803 0.163 0.000 0.896 338 Q CB 1.602 30.383 28.738 0.072 0.000 1.272 338 Q HN 0.545 nan 8.270 nan 0.000 0.442 339 N N 1.578 120.376 118.700 0.163 0.000 2.091 339 N HA -0.177 4.564 4.740 0.002 0.000 0.193 339 N C -0.563 175.120 175.510 0.288 0.000 1.021 339 N CA 1.045 54.202 53.050 0.178 0.000 0.862 339 N CB 0.400 38.985 38.487 0.163 0.000 1.018 339 N HN 0.461 nan 8.380 nan 0.000 0.429 340 D N 0.507 121.041 120.400 0.224 0.000 2.683 340 D HA 0.074 4.716 4.640 0.002 0.000 0.309 340 D C 0.287 176.704 176.300 0.195 0.000 1.238 340 D CA -0.147 53.960 54.000 0.178 0.000 0.936 340 D CB 0.918 41.767 40.800 0.082 0.000 1.001 340 D HN 0.228 nan 8.370 nan 0.000 0.505 341 E N 0.521 120.865 120.200 0.241 0.000 2.110 341 E HA -0.114 4.237 4.350 0.002 0.000 0.193 341 E C 1.957 178.765 176.600 0.346 0.000 0.988 341 E CA 0.684 57.229 56.400 0.242 0.000 0.804 341 E CB 0.122 29.947 29.700 0.208 0.000 0.745 341 E HN 0.424 nan 8.360 nan 0.000 0.458 342 G N 1.355 110.351 108.800 0.327 0.000 2.623 342 G HA2 -0.176 3.785 3.960 0.002 0.000 0.214 342 G HA3 -0.176 3.785 3.960 0.002 0.000 0.214 342 G C 1.711 176.749 174.900 0.229 0.000 1.138 342 G CA 1.142 46.467 45.100 0.375 0.000 0.794 342 G HN 0.365 nan 8.290 nan 0.000 0.535 343 T N 0.442 115.044 114.554 0.080 0.000 2.653 343 T HA -0.221 4.130 4.350 0.002 0.000 0.268 343 T C 2.240 177.002 174.700 0.104 0.000 1.035 343 T CA 1.345 63.464 62.100 0.030 0.000 1.154 343 T CB -0.425 68.491 68.868 0.079 0.000 0.862 343 T HN 0.025 nan 8.240 nan 0.000 0.441 344 L N 0.256 121.460 121.223 -0.031 0.000 2.079 344 L HA 0.146 4.487 4.340 0.002 0.000 0.210 344 L C 2.234 179.017 176.870 -0.144 0.000 1.081 344 L CA 1.415 56.115 54.840 -0.233 0.000 0.752 344 L CB -0.976 40.871 42.059 -0.352 0.000 0.896 344 L HN 0.285 nan 8.230 nan 0.000 0.433 345 F N -1.263 118.818 119.950 0.217 0.000 2.367 345 F HA 0.083 4.612 4.527 0.002 0.000 0.298 345 F C 2.393 178.303 175.800 0.183 0.000 1.094 345 F CA 0.799 58.919 58.000 0.200 0.000 1.409 345 F CB -1.321 37.784 39.000 0.176 0.000 1.064 345 F HN 0.091 nan 8.300 nan 0.000 0.528 346 G N 0.301 109.289 108.800 0.314 0.000 2.443 346 G HA2 -0.143 3.818 3.960 0.002 0.000 0.219 346 G HA3 -0.143 3.818 3.960 0.002 0.000 0.219 346 G C 1.643 176.779 174.900 0.393 0.000 1.131 346 G CA 0.336 45.606 45.100 0.284 0.000 0.775 346 G HN 0.332 nan 8.290 nan 0.000 0.547 347 L N 1.025 122.472 121.223 0.372 0.000 2.450 347 L HA -0.025 4.316 4.340 0.002 0.000 0.224 347 L C 2.540 179.530 176.870 0.200 0.000 1.149 347 L CA 0.529 55.512 54.840 0.238 0.000 0.816 347 L CB -0.139 42.026 42.059 0.176 0.000 0.932 347 L HN 0.138 nan 8.230 nan 0.000 0.449 348 S N -0.726 115.105 115.700 0.218 0.000 2.562 348 S HA -0.020 4.452 4.470 0.002 0.000 0.221 348 S C 1.248 175.936 174.600 0.148 0.000 0.975 348 S CA 0.803 59.116 58.200 0.188 0.000 0.918 348 S CB 0.067 63.390 63.200 0.205 0.000 0.772 348 S HN 0.557 nan 8.310 nan 0.000 0.531 349 S N 0.366 116.108 115.700 0.071 0.000 2.794 349 S HA 0.379 4.850 4.470 0.002 0.000 0.244 349 S C 0.636 175.236 174.600 -0.001 0.000 1.045 349 S CA -0.456 57.717 58.200 -0.045 0.000 1.114 349 S CB -0.518 62.334 63.200 -0.580 0.000 1.085 349 S HN 0.262 nan 8.310 nan 0.000 0.488 350 L N 1.533 122.790 121.223 0.056 0.000 2.456 350 L HA -0.031 4.310 4.340 0.002 0.000 0.224 350 L C 2.090 178.966 176.870 0.009 0.000 1.148 350 L CA 0.778 55.638 54.840 0.033 0.000 0.825 350 L CB -0.539 41.518 42.059 -0.003 0.000 0.937 350 L HN 0.584 nan 8.230 nan 0.000 0.450 351 N N -0.288 118.418 118.700 0.010 0.000 2.383 351 N HA -0.039 4.702 4.740 0.002 0.000 0.192 351 N C 0.122 175.620 175.510 -0.020 0.000 1.141 351 N CA 0.148 53.191 53.050 -0.012 0.000 0.851 351 N CB -0.024 38.442 38.487 -0.035 0.000 0.976 351 N HN 0.065 nan 8.380 nan 0.000 0.465 352 V N 1.911 121.805 119.914 -0.035 0.000 2.304 352 V HA 0.215 4.337 4.120 0.002 0.000 0.269 352 V C 1.013 177.085 176.094 -0.036 0.000 1.036 352 V CA -0.080 62.177 62.300 -0.071 0.000 0.840 352 V CB 0.654 32.352 31.823 -0.207 0.000 1.036 352 V HN 0.476 nan 8.190 nan 0.000 0.466 353 T N -0.553 113.989 114.554 -0.020 0.000 3.040 353 T HA 0.172 4.523 4.350 0.002 0.000 0.266 353 T C 0.602 175.306 174.700 0.005 0.000 1.005 353 T CA 0.431 62.532 62.100 0.001 0.000 0.906 353 T CB 0.411 69.281 68.868 0.002 0.000 1.082 353 T HN 0.660 nan 8.240 nan 0.000 0.531 354 T N -1.526 113.025 114.554 -0.006 0.000 2.916 354 T HA 0.463 4.814 4.350 0.002 0.000 0.292 354 T C 0.026 174.726 174.700 -0.001 0.000 1.064 354 T CA -0.632 61.470 62.100 0.003 0.000 1.011 354 T CB 1.947 70.816 68.868 0.002 0.000 1.152 354 T HN -0.204 nan 8.240 nan 0.000 0.510 355 D N 0.885 121.296 120.400 0.019 0.000 2.149 355 D HA -0.064 4.578 4.640 0.002 0.000 0.198 355 D C 2.253 178.559 176.300 0.011 0.000 0.990 355 D CA 1.679 55.697 54.000 0.030 0.000 0.839 355 D CB -0.567 40.264 40.800 0.052 0.000 0.948 355 D HN 0.749 nan 8.370 nan 0.000 0.460 356 A N 0.768 123.593 122.820 0.007 0.000 1.930 356 A HA -0.204 4.118 4.320 0.002 0.000 0.217 356 A C 2.149 179.723 177.584 -0.017 0.000 1.175 356 A CA 1.259 53.298 52.037 0.004 0.000 0.627 356 A CB -0.497 18.508 19.000 0.008 0.000 0.815 356 A HN 0.204 nan 8.150 nan 0.000 0.443 357 Q N -0.660 119.123 119.800 -0.030 0.000 2.083 357 Q HA -0.027 4.314 4.340 0.002 0.000 0.198 357 Q C 2.421 178.356 176.000 -0.109 0.000 0.969 357 Q CA 1.191 56.969 55.803 -0.041 0.000 0.838 357 Q CB -0.362 28.355 28.738 -0.036 0.000 0.900 357 Q HN 0.664 nan 8.270 nan 0.000 0.436 358 A N 1.421 124.130 122.820 -0.184 0.000 1.933 358 A HA -0.221 4.100 4.320 0.002 0.000 0.218 358 A C 2.045 179.239 177.584 -0.650 0.000 1.175 358 A CA 1.506 53.256 52.037 -0.478 0.000 0.628 358 A CB -0.496 18.310 19.000 -0.324 0.000 0.814 358 A HN 0.222 nan 8.150 nan 0.000 0.444 359 R N -0.458 119.916 120.500 -0.210 0.000 2.092 359 R HA -0.078 4.263 4.340 0.002 0.000 0.231 359 R C 2.277 178.567 176.300 -0.015 0.000 1.119 359 R CA 1.352 57.439 56.100 -0.022 0.000 0.970 359 R CB -0.366 29.969 30.300 0.058 0.000 0.864 359 R HN 0.444 nan 8.270 nan 0.000 0.440 360 A N -0.049 122.751 122.820 -0.033 0.000 1.898 360 A HA -0.207 4.115 4.320 0.002 0.000 0.216 360 A C 1.965 179.560 177.584 0.018 0.000 1.181 360 A CA 1.162 53.206 52.037 0.011 0.000 0.620 360 A CB -0.800 18.216 19.000 0.027 0.000 0.819 360 A HN 0.570 nan 8.150 nan 0.000 0.442 361 Y N -0.260 119.918 120.300 -0.203 0.000 2.181 361 Y HA -0.177 4.374 4.550 0.002 0.000 0.288 361 Y C 1.862 177.668 175.900 -0.156 0.000 1.146 361 Y CA 1.464 59.426 58.100 -0.231 0.000 1.164 361 Y CB -0.433 37.808 38.460 -0.364 0.000 0.982 361 Y HN 0.295 nan 8.280 nan 0.000 0.515 362 F N 0.290 120.210 119.950 -0.049 0.000 2.186 362 F HA -0.085 4.443 4.527 0.002 0.000 0.299 362 F C 2.246 178.007 175.800 -0.064 0.000 1.090 362 F CA 1.147 59.105 58.000 -0.070 0.000 1.307 362 F CB -1.086 38.047 39.000 0.221 0.000 1.019 362 F HN -0.036 nan 8.300 nan 0.000 0.489 363 K N 0.279 120.771 120.400 0.153 0.000 2.057 363 K HA -0.225 4.096 4.320 0.002 0.000 0.207 363 K C 2.106 178.668 176.600 -0.062 0.000 1.049 363 K CA 1.674 58.007 56.287 0.077 0.000 0.931 363 K CB -0.351 32.183 32.500 0.057 0.000 0.714 363 K HN 0.445 nan 8.250 nan 0.000 0.440 364 Q N -0.104 119.612 119.800 -0.141 0.000 2.311 364 Q HA 0.004 4.345 4.340 0.002 0.000 0.203 364 Q C 1.522 177.290 176.000 -0.386 0.000 0.954 364 Q CA 1.324 57.004 55.803 -0.205 0.000 0.885 364 Q CB 0.206 28.866 28.738 -0.130 0.000 0.963 364 Q HN -0.014 nan 8.270 nan 0.000 0.471 365 S N 0.016 115.350 115.700 -0.610 0.000 2.414 365 S HA 0.095 4.566 4.470 0.002 0.000 0.227 365 S C -0.299 173.748 174.600 -0.922 0.000 1.022 365 S CA 0.381 58.003 58.200 -0.964 0.000 0.958 365 S CB 0.136 62.445 63.200 -1.486 0.000 0.797 365 S HN 0.403 nan 8.310 nan 0.000 0.493 366 F N 1.548 121.430 119.950 -0.113 0.000 2.449 366 F HA 0.424 4.952 4.527 0.002 0.000 0.344 366 F C 1.106 176.819 175.800 -0.146 0.000 1.180 366 F CA -1.419 56.539 58.000 -0.071 0.000 1.209 366 F CB -0.362 38.678 39.000 0.066 0.000 1.440 366 F HN 0.036 nan 8.300 nan 0.000 0.526 367 I N -2.070 118.415 120.570 -0.142 0.000 2.657 367 I HA -0.212 3.959 4.170 0.002 0.000 0.261 367 I C 1.325 177.250 176.117 -0.320 0.000 1.212 367 I CA 1.710 62.853 61.300 -0.262 0.000 1.453 367 I CB -0.193 37.583 38.000 -0.375 0.000 1.092 367 I HN 0.447 nan 8.210 nan 0.000 0.452 368 H N 1.655 120.689 119.070 -0.059 0.000 2.592 368 H HA 0.438 4.995 4.556 0.002 0.000 0.265 368 H C 1.130 176.325 175.328 -0.220 0.000 0.955 368 H CA 0.417 56.384 56.048 -0.135 0.000 1.175 368 H CB 0.127 29.787 29.762 -0.169 0.000 1.433 368 H HN 0.453 nan 8.280 nan 0.000 0.537 369 A N 2.018 124.745 122.820 -0.154 0.000 2.401 369 A HA 0.320 4.641 4.320 0.002 0.000 0.259 369 A C 0.899 178.412 177.584 -0.120 0.000 1.103 369 A CA -0.173 51.700 52.037 -0.274 0.000 0.789 369 A CB 0.257 19.065 19.000 -0.321 0.000 1.035 369 A HN 0.361 nan 8.150 nan 0.000 0.491 370 S N 1.657 117.285 115.700 -0.120 0.000 2.624 370 S HA 0.172 4.643 4.470 0.002 0.000 0.263 370 S C 0.372 174.964 174.600 -0.014 0.000 1.287 370 S CA -0.094 58.072 58.200 -0.055 0.000 0.990 370 S CB 0.591 63.758 63.200 -0.055 0.000 0.950 370 S HN 0.621 nan 8.310 nan 0.000 0.561 371 D N 1.118 121.521 120.400 0.005 0.000 2.144 371 D HA -0.052 4.589 4.640 0.002 0.000 0.199 371 D C 2.177 178.501 176.300 0.039 0.000 0.984 371 D CA 1.722 55.740 54.000 0.030 0.000 0.834 371 D CB -0.813 40.003 40.800 0.026 0.000 0.955 371 D HN 0.699 nan 8.370 nan 0.000 0.465 372 A N 1.032 123.865 122.820 0.021 0.000 1.933 372 A HA -0.190 4.131 4.320 0.002 0.000 0.218 372 A C 2.061 179.667 177.584 0.037 0.000 1.175 372 A CA 1.306 53.358 52.037 0.025 0.000 0.628 372 A CB -0.421 18.585 19.000 0.009 0.000 0.814 372 A HN 0.203 nan 8.150 nan 0.000 0.444 373 E N -0.328 119.886 120.200 0.023 0.000 2.106 373 E HA -0.124 4.227 4.350 0.002 0.000 0.192 373 E C 1.799 178.487 176.600 0.147 0.000 0.984 373 E CA 0.913 57.344 56.400 0.052 0.000 0.806 373 E CB -0.177 29.475 29.700 -0.080 0.000 0.750 373 E HN 0.525 nan 8.360 nan 0.000 0.458 374 I N 1.953 122.604 120.570 0.134 0.000 2.252 374 I HA -0.216 3.955 4.170 0.002 0.000 0.245 374 I C 1.756 177.970 176.117 0.163 0.000 1.102 374 I CA 1.257 62.675 61.300 0.197 0.000 1.385 374 I CB -1.021 37.099 38.000 0.200 0.000 1.064 374 I HN 0.067 nan 8.210 nan 0.000 0.414 375 D N 0.856 121.327 120.400 0.118 0.000 2.092 375 D HA -0.156 4.485 4.640 0.002 0.000 0.193 375 D C 2.127 178.481 176.300 0.090 0.000 0.994 375 D CA 1.898 55.957 54.000 0.099 0.000 0.828 375 D CB -0.407 40.435 40.800 0.070 0.000 0.963 375 D HN 0.251 nan 8.370 nan 0.000 0.450 376 T N 1.402 116.002 114.554 0.076 0.000 2.803 376 T HA -0.150 4.201 4.350 0.002 0.000 0.269 376 T C 1.920 176.650 174.700 0.051 0.000 1.052 376 T CA 0.493 62.627 62.100 0.056 0.000 1.136 376 T CB -0.285 68.612 68.868 0.049 0.000 0.864 376 T HN 0.016 nan 8.240 nan 0.000 0.467 377 L N 0.950 122.214 121.223 0.068 0.000 2.027 377 L HA 0.119 4.460 4.340 0.002 0.000 0.206 377 L C 2.157 179.092 176.870 0.109 0.000 1.074 377 L CA 1.748 56.600 54.840 0.021 0.000 0.745 377 L CB -0.547 41.478 42.059 -0.056 0.000 0.898 377 L HN 0.247 nan 8.230 nan 0.000 0.433 378 M N -1.336 118.352 119.600 0.146 0.000 2.619 378 M HA 0.008 4.489 4.480 0.002 0.000 0.251 378 M C 1.886 178.274 176.300 0.147 0.000 1.106 378 M CA 0.902 56.323 55.300 0.201 0.000 1.086 378 M CB -0.376 32.365 32.600 0.235 0.000 1.465 378 M HN 0.408 nan 8.290 nan 0.000 0.506 379 A N 0.190 123.068 122.820 0.096 0.000 1.997 379 A HA 0.313 4.635 4.320 0.002 0.000 0.212 379 A C 2.322 179.916 177.584 0.016 0.000 1.178 379 A CA 1.099 53.170 52.037 0.057 0.000 0.698 379 A CB -0.343 18.682 19.000 0.041 0.000 0.842 379 A HN 0.412 nan 8.150 nan 0.000 0.458 380 A N -1.323 121.486 122.820 -0.018 0.000 1.930 380 A HA 0.200 4.521 4.320 0.002 0.000 0.215 380 A C 0.471 177.880 177.584 -0.290 0.000 1.176 380 A CA 0.601 52.535 52.037 -0.171 0.000 0.632 380 A CB -0.337 18.517 19.000 -0.243 0.000 0.819 380 A HN 0.452 nan 8.150 nan 0.000 0.445 381 Y N 1.317 121.619 120.300 0.003 0.000 2.587 381 Y HA 0.389 4.940 4.550 0.002 0.000 0.328 381 Y C 0.968 176.914 175.900 0.078 0.000 0.980 381 Y CA -0.419 57.704 58.100 0.038 0.000 1.272 381 Y CB 0.685 39.142 38.460 -0.004 0.000 1.094 381 Y HN 0.233 nan 8.280 nan 0.000 0.503 382 T N -2.447 112.209 114.554 0.169 0.000 2.810 382 T HA 0.163 4.515 4.350 0.002 0.000 0.277 382 T C 1.224 176.020 174.700 0.159 0.000 0.973 382 T CA -0.216 61.972 62.100 0.147 0.000 0.949 382 T CB 1.235 70.160 68.868 0.096 0.000 1.075 382 T HN 0.503 nan 8.240 nan 0.000 0.537 383 S N -1.225 114.552 115.700 0.129 0.000 2.603 383 S HA 0.047 4.518 4.470 0.002 0.000 0.220 383 S C 0.551 175.209 174.600 0.097 0.000 0.967 383 S CA -0.255 58.015 58.200 0.116 0.000 0.920 383 S CB -0.528 62.730 63.200 0.096 0.000 0.773 383 S HN 0.809 nan 8.310 nan 0.000 0.529 384 D N 3.007 123.463 120.400 0.093 0.000 2.368 384 D HA -0.010 4.631 4.640 0.002 0.000 0.268 384 D C 1.439 177.793 176.300 0.090 0.000 1.298 384 D CA -0.192 53.856 54.000 0.081 0.000 0.938 384 D CB 0.183 41.029 40.800 0.077 0.000 1.101 384 D HN 0.532 nan 8.370 nan 0.000 0.509 385 I N 1.577 122.194 120.570 0.080 0.000 2.530 385 I HA -0.238 3.933 4.170 0.002 0.000 0.257 385 I C 1.642 177.815 176.117 0.094 0.000 1.179 385 I CA 1.430 62.780 61.300 0.084 0.000 1.440 385 I CB -0.728 37.314 38.000 0.071 0.000 1.087 385 I HN 0.307 nan 8.210 nan 0.000 0.440 386 T N -1.904 112.707 114.554 0.094 0.000 3.055 386 T HA -0.024 4.327 4.350 0.002 0.000 0.265 386 T C 1.695 176.476 174.700 0.135 0.000 1.111 386 T CA 0.768 62.935 62.100 0.111 0.000 1.118 386 T CB -0.240 68.687 68.868 0.098 0.000 0.909 386 T HN 0.580 nan 8.240 nan 0.000 0.501 387 Q N 0.705 120.588 119.800 0.137 0.000 2.392 387 Q HA 0.303 4.644 4.340 0.002 0.000 0.203 387 Q C 1.372 177.525 176.000 0.255 0.000 0.917 387 Q CA -0.004 55.907 55.803 0.180 0.000 0.939 387 Q CB 0.311 29.131 28.738 0.137 0.000 1.063 387 Q HN 0.675 nan 8.270 nan 0.000 0.516 388 G N 0.460 109.356 108.800 0.158 0.000 2.535 388 G HA2 0.236 4.198 3.960 0.002 0.000 0.282 388 G HA3 0.236 4.198 3.960 0.002 0.000 0.282 388 G C -0.800 173.952 174.900 -0.247 0.000 1.350 388 G CA -0.406 44.723 45.100 0.048 0.000 1.039 388 G HN 0.076 nan 8.290 nan 0.000 0.509 389 S N -0.338 115.000 115.700 -0.602 0.000 2.475 389 S HA 0.579 5.050 4.470 0.002 0.000 0.298 389 S C -2.646 171.688 174.600 -0.444 0.000 1.119 389 S CA -1.402 56.232 58.200 -0.943 0.000 1.085 389 S CB 1.538 63.970 63.200 -1.279 0.000 1.028 389 S HN 0.208 nan 8.310 nan 0.000 0.489 390 P HA 0.031 nan 4.420 nan 0.000 0.256 390 P C -0.825 176.388 177.300 -0.144 0.000 1.173 390 P CA 0.344 63.348 63.100 -0.159 0.000 0.768 390 P CB -0.180 31.532 31.700 0.020 0.000 0.758 391 F N 2.570 122.546 119.950 0.044 0.000 2.506 391 F HA 0.021 4.550 4.527 0.002 0.000 0.351 391 F C 1.526 177.346 175.800 0.034 0.000 1.136 391 F CA 0.556 58.573 58.000 0.028 0.000 1.298 391 F CB -0.172 38.816 39.000 -0.021 0.000 1.145 391 F HN 0.452 nan 8.300 nan 0.000 0.593 392 D N 0.473 121.027 120.400 0.256 0.000 2.723 392 D HA -0.170 4.472 4.640 0.002 0.000 0.236 392 D C 0.675 177.049 176.300 0.123 0.000 1.138 392 D CA 1.176 55.270 54.000 0.157 0.000 0.676 392 D CB -1.331 39.542 40.800 0.122 0.000 1.069 392 D HN 0.778 nan 8.370 nan 0.000 0.430 393 T N -3.852 110.786 114.554 0.140 0.000 3.145 393 T HA 0.474 4.826 4.350 0.002 0.000 0.281 393 T C 1.308 176.167 174.700 0.264 0.000 1.003 393 T CA 0.696 62.883 62.100 0.145 0.000 0.901 393 T CB 1.284 70.235 68.868 0.137 0.000 1.112 393 T HN 0.613 nan 8.240 nan 0.000 0.535 394 G N 3.492 112.423 108.800 0.218 0.000 2.629 394 G HA2 -0.376 3.586 3.960 0.002 0.000 0.313 394 G HA3 -0.376 3.586 3.960 0.002 0.000 0.313 394 G C 0.635 175.650 174.900 0.192 0.000 1.217 394 G CA 0.837 46.072 45.100 0.225 0.000 0.994 394 G HN 1.110 nan 8.290 nan 0.000 0.549 395 I N -0.756 119.898 120.570 0.140 0.000 3.793 395 I HA 0.569 4.741 4.170 0.002 0.000 0.315 395 I C 0.621 176.660 176.117 -0.131 0.000 1.275 395 I CA -0.583 60.690 61.300 -0.045 0.000 1.214 395 I CB -0.510 37.386 38.000 -0.173 0.000 1.018 395 I HN 0.169 nan 8.210 nan 0.000 0.439 396 F N 2.163 122.143 119.950 0.050 0.000 2.370 396 F HA 0.440 4.968 4.527 0.002 0.000 0.319 396 F C 1.330 177.171 175.800 0.069 0.000 1.129 396 F CA -0.572 57.458 58.000 0.050 0.000 1.109 396 F CB 0.138 39.163 39.000 0.043 0.000 1.262 396 F HN 0.084 nan 8.300 nan 0.000 0.534 397 N N -0.900 117.954 118.700 0.258 0.000 2.850 397 N HA -0.188 4.553 4.740 0.002 0.000 0.249 397 N C -0.297 175.355 175.510 0.236 0.000 1.060 397 N CA 0.748 53.926 53.050 0.214 0.000 0.825 397 N CB -1.353 37.276 38.487 0.236 0.000 1.132 397 N HN 0.616 nan 8.380 nan 0.000 0.564 398 A N 0.935 123.850 122.820 0.158 0.000 3.126 398 A HA 0.339 4.660 4.320 0.002 0.000 0.268 398 A C 1.695 179.330 177.584 0.085 0.000 1.605 398 A CA -0.439 51.697 52.037 0.165 0.000 1.305 398 A CB -0.320 18.738 19.000 0.097 0.000 1.160 398 A HN 0.185 nan 8.150 nan 0.000 0.609 399 I N 0.724 121.297 120.570 0.006 0.000 2.236 399 I HA -0.158 4.014 4.170 0.002 0.000 0.249 399 I C 1.616 177.703 176.117 -0.050 0.000 1.102 399 I CA 2.257 63.475 61.300 -0.138 0.000 1.365 399 I CB -1.629 36.102 38.000 -0.449 0.000 1.051 399 I HN 0.650 nan 8.210 nan 0.000 0.420 400 T N -3.812 110.771 114.554 0.048 0.000 2.841 400 T HA 0.440 4.791 4.350 0.002 0.000 0.296 400 T C -2.403 172.360 174.700 0.105 0.000 1.166 400 T CA -1.397 60.741 62.100 0.064 0.000 1.007 400 T CB 2.288 71.198 68.868 0.070 0.000 1.253 400 T HN -0.298 nan 8.240 nan 0.000 0.511 401 P HA 0.093 nan 4.420 nan 0.000 0.230 401 P C 0.913 178.270 177.300 0.095 0.000 1.158 401 P CA 0.663 63.807 63.100 0.074 0.000 0.769 401 P CB 0.172 31.901 31.700 0.048 0.000 0.807 402 Q N -3.198 116.669 119.800 0.111 0.000 2.245 402 Q HA 0.158 4.499 4.340 0.002 0.000 0.236 402 Q C 1.455 177.543 176.000 0.147 0.000 0.842 402 Q CA -0.134 55.737 55.803 0.114 0.000 0.945 402 Q CB -0.598 28.179 28.738 0.066 0.000 1.122 402 Q HN 0.238 nan 8.270 nan 0.000 0.506 403 F N 3.117 123.085 119.950 0.031 0.000 2.043 403 F HA -0.251 4.277 4.527 0.002 0.000 0.297 403 F C 1.824 177.650 175.800 0.044 0.000 1.121 403 F CA 1.910 59.928 58.000 0.030 0.000 1.199 403 F CB 0.078 39.087 39.000 0.015 0.000 0.968 403 F HN -0.097 nan 8.300 nan 0.000 0.478 404 K N -0.034 120.251 120.400 -0.192 0.000 2.097 404 K HA -0.193 4.128 4.320 0.002 0.000 0.206 404 K C 2.045 178.546 176.600 -0.164 0.000 1.049 404 K CA 1.802 57.898 56.287 -0.318 0.000 0.933 404 K CB -0.234 32.218 32.500 -0.080 0.000 0.717 404 K HN 0.426 nan 8.250 nan 0.000 0.442 405 R N 0.856 121.359 120.500 0.006 0.000 2.090 405 R HA 0.006 4.347 4.340 0.002 0.000 0.228 405 R C 2.014 178.363 176.300 0.082 0.000 1.110 405 R CA 1.131 57.303 56.100 0.119 0.000 0.973 405 R CB -0.685 29.739 30.300 0.207 0.000 0.869 405 R HN 0.074 nan 8.270 nan 0.000 0.440 406 I N 1.178 121.801 120.570 0.089 0.000 2.252 406 I HA -0.195 3.976 4.170 0.002 0.000 0.245 406 I C 1.814 177.932 176.117 0.002 0.000 1.102 406 I CA 1.322 62.711 61.300 0.149 0.000 1.385 406 I CB -0.216 37.904 38.000 0.200 0.000 1.064 406 I HN 0.238 nan 8.210 nan 0.000 0.414 407 S N 0.818 116.429 115.700 -0.147 0.000 2.368 407 S HA -0.149 4.322 4.470 0.002 0.000 0.225 407 S C 2.280 176.835 174.600 -0.075 0.000 1.030 407 S CA 1.291 59.392 58.200 -0.165 0.000 0.999 407 S CB -0.343 62.577 63.200 -0.465 0.000 0.844 407 S HN 0.534 nan 8.310 nan 0.000 0.459 408 A N 1.638 124.407 122.820 -0.085 0.000 1.883 408 A HA -0.077 4.244 4.320 0.002 0.000 0.217 408 A C 2.143 179.795 177.584 0.113 0.000 1.186 408 A CA 1.480 53.613 52.037 0.160 0.000 0.624 408 A CB -0.866 18.371 19.000 0.395 0.000 0.822 408 A HN 0.475 nan 8.150 nan 0.000 0.444 409 L N -1.231 119.784 121.223 -0.347 0.000 1.994 409 L HA -0.170 4.171 4.340 0.002 0.000 0.208 409 L C 2.460 179.143 176.870 -0.312 0.000 1.071 409 L CA 1.565 55.899 54.840 -0.844 0.000 0.745 409 L CB -0.300 41.145 42.059 -1.023 0.000 0.892 409 L HN 0.341 nan 8.230 nan 0.000 0.431 410 L N 0.362 121.518 121.223 -0.112 0.000 1.989 410 L HA -0.152 4.189 4.340 0.002 0.000 0.211 410 L C 2.603 179.524 176.870 0.086 0.000 1.071 410 L CA 2.201 57.042 54.840 0.002 0.000 0.749 410 L CB -1.557 40.562 42.059 0.100 0.000 0.890 410 L HN 0.360 nan 8.230 nan 0.000 0.431 411 G N -1.414 107.512 108.800 0.211 0.000 2.440 411 G HA2 -0.280 3.681 3.960 0.002 0.000 0.218 411 G HA3 -0.280 3.681 3.960 0.002 0.000 0.218 411 G C 1.287 176.410 174.900 0.371 0.000 1.154 411 G CA 0.947 46.280 45.100 0.387 0.000 0.767 411 G HN 0.358 nan 8.290 nan 0.000 0.552 412 D N -0.035 120.541 120.400 0.292 0.000 2.097 412 D HA -0.074 4.568 4.640 0.002 0.000 0.197 412 D C 2.386 178.827 176.300 0.235 0.000 0.984 412 D CA 0.571 54.760 54.000 0.316 0.000 0.826 412 D CB -0.377 40.646 40.800 0.372 0.000 0.973 412 D HN 0.252 nan 8.370 nan 0.000 0.460 413 L N 0.811 122.065 121.223 0.053 0.000 2.027 413 L HA -0.012 4.329 4.340 0.002 0.000 0.206 413 L C 2.000 178.883 176.870 0.021 0.000 1.074 413 L CA 1.940 56.786 54.840 0.010 0.000 0.745 413 L CB -0.768 41.180 42.059 -0.185 0.000 0.898 413 L HN -0.023 nan 8.230 nan 0.000 0.433 414 A N -2.366 120.346 122.820 -0.180 0.000 2.016 414 A HA 0.060 4.382 4.320 0.002 0.000 0.217 414 A C 1.447 178.555 177.584 -0.793 0.000 1.162 414 A CA 1.625 53.306 52.037 -0.593 0.000 0.662 414 A CB -0.397 17.999 19.000 -1.007 0.000 0.812 414 A HN 0.511 nan 8.150 nan 0.000 0.450 415 F N -2.524 117.477 119.950 0.085 0.000 1.941 415 F HA 0.119 4.647 4.527 0.002 0.000 0.230 415 F C 2.388 178.267 175.800 0.132 0.000 1.181 415 F CA 0.743 58.799 58.000 0.094 0.000 1.294 415 F CB -0.647 38.434 39.000 0.136 0.000 1.748 415 F HN -0.093 nan 8.300 nan 0.000 0.419 416 T N 2.152 116.971 114.554 0.442 0.000 2.684 416 T HA -0.128 4.223 4.350 0.002 0.000 0.267 416 T C 2.001 176.924 174.700 0.372 0.000 1.036 416 T CA 1.683 64.005 62.100 0.371 0.000 1.148 416 T CB -0.496 68.613 68.868 0.402 0.000 0.863 416 T HN 0.084 nan 8.240 nan 0.000 0.436 417 L N 0.253 121.737 121.223 0.434 0.000 2.375 417 L HA 0.205 4.546 4.340 0.002 0.000 0.215 417 L C 2.921 180.109 176.870 0.530 0.000 1.108 417 L CA 0.423 55.594 54.840 0.551 0.000 0.830 417 L CB -0.546 41.910 42.059 0.662 0.000 0.959 417 L HN 0.241 nan 8.230 nan 0.000 0.457 418 A N 0.545 123.577 122.820 0.354 0.000 1.930 418 A HA -0.223 4.098 4.320 0.002 0.000 0.217 418 A C 2.423 180.013 177.584 0.010 0.000 1.175 418 A CA 1.442 53.497 52.037 0.031 0.000 0.627 418 A CB -0.489 18.525 19.000 0.024 0.000 0.815 418 A HN 0.342 nan 8.150 nan 0.000 0.443 419 R N -0.277 120.273 120.500 0.083 0.000 2.091 419 R HA -0.174 4.167 4.340 0.002 0.000 0.238 419 R C 2.391 178.753 176.300 0.104 0.000 1.136 419 R CA 1.798 57.930 56.100 0.053 0.000 0.959 419 R CB -0.345 29.976 30.300 0.035 0.000 0.856 419 R HN 0.532 nan 8.270 nan 0.000 0.437 420 R N -0.713 119.878 120.500 0.151 0.000 2.096 420 R HA -0.213 4.129 4.340 0.002 0.000 0.235 420 R C 2.101 178.536 176.300 0.225 0.000 1.127 420 R CA 1.757 57.928 56.100 0.117 0.000 0.968 420 R CB -0.447 29.901 30.300 0.080 0.000 0.861 420 R HN 0.338 nan 8.270 nan 0.000 0.440 421 Y N 0.292 120.723 120.300 0.218 0.000 2.145 421 Y HA -0.271 4.280 4.550 0.002 0.000 0.286 421 Y C 1.907 177.910 175.900 0.172 0.000 1.145 421 Y CA 2.005 60.226 58.100 0.201 0.000 1.148 421 Y CB -0.621 37.711 38.460 -0.214 0.000 0.981 421 Y HN 0.121 nan 8.280 nan 0.000 0.507 422 F N 0.310 120.342 119.950 0.137 0.000 2.065 422 F HA -0.290 4.238 4.527 0.002 0.000 0.298 422 F C 1.949 177.767 175.800 0.031 0.000 1.112 422 F CA 2.023 60.044 58.000 0.035 0.000 1.212 422 F CB -0.809 38.095 39.000 -0.160 0.000 0.975 422 F HN 0.036 nan 8.300 nan 0.000 0.476 423 L N 0.210 121.366 121.223 -0.112 0.000 2.079 423 L HA -0.267 4.075 4.340 0.002 0.000 0.210 423 L C 2.069 178.832 176.870 -0.178 0.000 1.081 423 L CA 1.916 56.573 54.840 -0.304 0.000 0.752 423 L CB -0.926 40.784 42.059 -0.582 0.000 0.896 423 L HN 0.283 nan 8.230 nan 0.000 0.433 424 N N -1.619 117.013 118.700 -0.113 0.000 2.331 424 N HA -0.146 4.596 4.740 0.002 0.000 0.180 424 N C 1.465 176.760 175.510 -0.358 0.000 1.019 424 N CA 0.798 53.728 53.050 -0.200 0.000 0.881 424 N CB 0.109 38.437 38.487 -0.265 0.000 0.972 424 N HN 0.298 nan 8.380 nan 0.000 0.435 425 Y N -1.181 119.005 120.300 -0.191 0.000 2.522 425 Y HA 0.107 4.658 4.550 0.002 0.000 0.277 425 Y C 0.121 175.936 175.900 -0.141 0.000 1.104 425 Y CA -0.417 57.601 58.100 -0.136 0.000 1.260 425 Y CB 0.081 38.492 38.460 -0.082 0.000 1.151 425 Y HN 0.004 nan 8.280 nan 0.000 0.539 426 Y N 2.624 122.697 120.300 -0.379 0.000 2.569 426 Y HA 0.042 4.593 4.550 0.002 0.000 0.332 426 Y C 0.446 176.096 175.900 -0.416 0.000 1.120 426 Y CA -0.162 57.531 58.100 -0.680 0.000 1.416 426 Y CB 0.490 38.135 38.460 -1.359 0.000 1.210 426 Y HN 0.113 nan 8.280 nan 0.000 0.528 427 Q N 4.548 123.879 119.800 -0.782 0.000 2.115 427 Q HA 0.231 4.572 4.340 0.002 0.000 0.249 427 Q C 1.396 176.937 176.000 -0.765 0.000 0.830 427 Q CA 0.484 55.969 55.803 -0.529 0.000 1.104 427 Q CB 0.992 29.623 28.738 -0.179 0.000 1.207 427 Q HN 1.052 nan 8.270 nan 0.000 0.464 428 G N -0.116 107.695 108.800 -1.648 0.000 2.511 428 G HA2 0.278 4.239 3.960 0.002 0.000 0.217 428 G HA3 0.278 4.239 3.960 0.002 0.000 0.217 428 G C 0.611 175.268 174.900 -0.405 0.000 1.133 428 G CA 0.681 45.079 45.100 -1.171 0.000 0.792 428 G HN 0.431 nan 8.290 nan 0.000 0.539 429 G N -1.774 106.880 108.800 -0.242 0.000 2.430 429 G HA2 0.408 4.370 3.960 0.002 0.000 0.300 429 G HA3 0.408 4.370 3.960 0.002 0.000 0.300 429 G C -0.877 174.068 174.900 0.076 0.000 1.330 429 G CA -0.375 44.752 45.100 0.045 0.000 0.813 429 G HN 0.106 nan 8.290 nan 0.000 0.487 430 T N 1.255 115.858 114.554 0.082 0.000 2.934 430 T HA 0.329 4.681 4.350 0.002 0.000 0.306 430 T C 0.168 174.851 174.700 -0.027 0.000 1.042 430 T CA 0.490 62.583 62.100 -0.012 0.000 1.145 430 T CB 0.345 69.208 68.868 -0.008 0.000 0.982 430 T HN 0.447 nan 8.240 nan 0.000 0.544 431 K N 1.843 122.136 120.400 -0.178 0.000 2.259 431 K HA 0.546 4.867 4.320 0.002 0.000 0.252 431 K C -1.337 175.026 176.600 -0.395 0.000 0.936 431 K CA -0.668 55.535 56.287 -0.140 0.000 0.810 431 K CB 1.581 34.074 32.500 -0.013 0.000 1.143 431 K HN 0.514 nan 8.250 nan 0.000 0.427 432 Y N -0.249 119.990 120.300 -0.102 0.000 2.477 432 Y HA 0.455 5.006 4.550 0.002 0.000 0.347 432 Y C -0.018 175.934 175.900 0.087 0.000 0.981 432 Y CA -0.688 57.312 58.100 -0.167 0.000 1.033 432 Y CB 2.635 40.590 38.460 -0.842 0.000 1.245 432 Y HN 0.493 nan 8.280 nan 0.000 0.455 433 S N 2.994 119.070 115.700 0.627 0.000 2.546 433 S HA 0.831 5.302 4.470 0.002 0.000 0.274 433 S C -1.687 173.336 174.600 0.704 0.000 1.121 433 S CA -0.597 57.889 58.200 0.477 0.000 0.887 433 S CB 0.616 63.905 63.200 0.148 0.000 1.094 433 S HN 0.512 nan 8.310 nan 0.000 0.474 434 F N 2.285 122.482 119.950 0.412 0.000 2.599 434 F HA 0.897 5.425 4.527 0.002 0.000 0.311 434 F C -1.679 174.211 175.800 0.150 0.000 1.076 434 F CA -1.282 56.828 58.000 0.184 0.000 0.937 434 F CB 1.256 40.327 39.000 0.118 0.000 1.282 434 F HN 0.440 nan 8.300 nan 0.000 0.460 435 L N 2.709 124.088 121.223 0.260 0.000 2.406 435 L HA 0.559 4.900 4.340 0.002 0.000 0.270 435 L C -0.675 176.311 176.870 0.194 0.000 0.982 435 L CA -0.207 54.749 54.840 0.193 0.000 0.843 435 L CB 1.505 43.645 42.059 0.134 0.000 1.225 435 L HN 0.880 nan 8.230 nan 0.000 0.412 436 S N 3.991 119.861 115.700 0.283 0.000 2.513 436 S HA 0.474 4.945 4.470 0.002 0.000 0.276 436 S C 0.351 175.044 174.600 0.155 0.000 1.254 436 S CA -0.278 58.047 58.200 0.209 0.000 1.053 436 S CB 0.440 63.823 63.200 0.305 0.000 0.958 436 S HN 0.713 nan 8.310 nan 0.000 0.491 437 K N 3.545 124.023 120.400 0.131 0.000 2.826 437 K HA 0.144 4.466 4.320 0.002 0.000 0.206 437 K C 1.192 177.847 176.600 0.093 0.000 1.116 437 K CA -0.176 56.187 56.287 0.127 0.000 1.045 437 K CB 0.404 32.998 32.500 0.157 0.000 0.758 437 K HN 0.681 nan 8.250 nan 0.000 0.465 438 Q N 0.508 120.348 119.800 0.065 0.000 2.234 438 Q HA -0.091 4.251 4.340 0.002 0.000 0.206 438 Q C 0.523 176.525 176.000 0.004 0.000 0.980 438 Q CA 1.212 57.008 55.803 -0.012 0.000 0.869 438 Q CB 0.290 28.979 28.738 -0.083 0.000 0.912 438 Q HN 0.160 nan 8.270 nan 0.000 0.436 439 L N 0.719 121.987 121.223 0.076 0.000 2.928 439 L HA 0.259 4.600 4.340 0.002 0.000 0.246 439 L C -0.166 176.765 176.870 0.101 0.000 1.239 439 L CA 0.191 55.098 54.840 0.113 0.000 1.035 439 L CB 0.551 42.738 42.059 0.213 0.000 1.360 439 L HN -0.120 nan 8.230 nan 0.000 0.529 440 S N 0.431 116.173 115.700 0.070 0.000 2.544 440 S HA 0.383 4.855 4.470 0.002 0.000 0.290 440 S C 1.353 175.972 174.600 0.033 0.000 1.276 440 S CA 0.854 59.090 58.200 0.059 0.000 1.075 440 S CB 0.480 63.705 63.200 0.042 0.000 0.849 440 S HN 0.713 nan 8.310 nan 0.000 0.494 441 G N 1.974 110.791 108.800 0.029 0.000 2.307 441 G HA2 -0.209 3.752 3.960 0.002 0.000 0.210 441 G HA3 -0.209 3.752 3.960 0.002 0.000 0.210 441 G C -0.048 174.862 174.900 0.018 0.000 1.005 441 G CA -0.286 44.812 45.100 -0.004 0.000 0.634 441 G HN 0.671 nan 8.290 nan 0.000 0.496 442 L N 4.737 125.995 121.223 0.058 0.000 2.584 442 L HA 0.411 4.753 4.340 0.002 0.000 0.272 442 L C -1.288 175.614 176.870 0.054 0.000 1.195 442 L CA -1.435 53.446 54.840 0.069 0.000 0.920 442 L CB -0.097 42.039 42.059 0.128 0.000 1.173 442 L HN 0.176 nan 8.230 nan 0.000 0.489 443 P HA 0.048 nan 4.420 nan 0.000 0.268 443 P C 0.846 178.166 177.300 0.032 0.000 1.204 443 P CA 0.021 63.144 63.100 0.038 0.000 0.768 443 P CB 1.284 32.999 31.700 0.025 0.000 0.842 444 V N 1.725 121.683 119.914 0.075 0.000 0.449 444 V HA -0.361 3.760 4.120 0.002 0.000 0.092 444 V C 1.990 178.189 176.094 0.175 0.000 2.531 444 V CA 2.332 64.694 62.300 0.104 0.000 3.708 444 V CB -1.950 29.848 31.823 -0.042 0.000 0.981 444 V HN 0.515 nan 8.190 nan 0.000 1.031 445 L N -0.634 120.632 121.223 0.071 0.000 2.316 445 L HA 0.584 4.925 4.340 0.002 0.000 0.207 445 L C 1.710 178.673 176.870 0.155 0.000 1.070 445 L CA 1.033 55.918 54.840 0.075 0.000 0.820 445 L CB -0.192 41.795 42.059 -0.120 0.000 0.992 445 L HN 0.892 nan 8.230 nan 0.000 0.466 446 G N 0.672 109.564 108.800 0.153 0.000 2.547 446 G HA2 -0.307 3.655 3.960 0.002 0.000 0.271 446 G HA3 -0.307 3.655 3.960 0.002 0.000 0.271 446 G C 0.113 175.177 174.900 0.275 0.000 1.209 446 G CA 0.062 45.264 45.100 0.171 0.000 0.959 446 G HN 0.153 nan 8.290 nan 0.000 0.563 447 T N 2.579 117.262 114.554 0.215 0.000 3.455 447 T HA 0.480 4.831 4.350 0.002 0.000 0.286 447 T C 0.505 175.305 174.700 0.167 0.000 1.157 447 T CA 0.675 62.884 62.100 0.183 0.000 1.090 447 T CB -0.898 68.053 68.868 0.138 0.000 1.112 447 T HN 0.803 nan 8.240 nan 0.000 0.779 448 F N 0.293 120.290 119.950 0.078 0.000 2.426 448 F HA 0.432 4.961 4.527 0.002 0.000 0.309 448 F C 0.720 176.551 175.800 0.051 0.000 1.246 448 F CA -1.645 56.387 58.000 0.053 0.000 1.229 448 F CB 0.041 39.038 39.000 -0.004 0.000 1.255 448 F HN 0.358 nan 8.300 nan 0.000 0.558 449 H N 0.254 119.371 119.070 0.078 0.000 2.975 449 H HA 0.375 4.932 4.556 0.002 0.000 0.303 449 H C 0.989 176.225 175.328 -0.153 0.000 1.023 449 H CA 0.658 56.658 56.048 -0.080 0.000 1.473 449 H CB 0.264 30.018 29.762 -0.014 0.000 1.498 449 H HN 0.990 nan 8.280 nan 0.000 0.549 450 G N 3.811 112.205 108.800 -0.677 0.000 2.175 450 G HA2 -0.428 3.534 3.960 0.002 0.000 0.244 450 G HA3 -0.428 3.534 3.960 0.002 0.000 0.244 450 G C 1.361 175.958 174.900 -0.506 0.000 0.982 450 G CA 0.811 45.568 45.100 -0.571 0.000 0.641 450 G HN 0.831 nan 8.290 nan 0.000 0.527 451 N N 1.661 119.884 118.700 -0.795 0.000 2.289 451 N HA -0.079 4.662 4.740 0.002 0.000 0.184 451 N C 1.646 176.857 175.510 -0.499 0.000 1.016 451 N CA 1.962 54.523 53.050 -0.814 0.000 0.872 451 N CB -0.415 37.375 38.487 -1.163 0.000 0.973 451 N HN 0.474 nan 8.380 nan 0.000 0.433 452 D N 0.801 120.942 120.400 -0.433 0.000 2.221 452 D HA -0.176 4.466 4.640 0.002 0.000 0.204 452 D C 1.736 177.684 176.300 -0.587 0.000 0.982 452 D CA 0.596 54.233 54.000 -0.606 0.000 0.857 452 D CB -0.264 39.923 40.800 -1.021 0.000 0.934 452 D HN 0.317 nan 8.370 nan 0.000 0.475 453 I N 1.235 121.537 120.570 -0.446 0.000 2.208 453 I HA -0.218 3.953 4.170 0.002 0.000 0.245 453 I C 2.615 178.564 176.117 -0.281 0.000 1.097 453 I CA 0.553 61.666 61.300 -0.312 0.000 1.363 453 I CB -0.719 37.183 38.000 -0.164 0.000 1.051 453 I HN 0.054 nan 8.210 nan 0.000 0.413 454 I N -0.308 120.007 120.570 -0.426 0.000 2.099 454 I HA -0.310 3.861 4.170 0.002 0.000 0.239 454 I C 2.378 178.186 176.117 -0.516 0.000 1.066 454 I CA 1.932 62.897 61.300 -0.559 0.000 1.324 454 I CB -0.603 36.630 38.000 -1.278 0.000 1.037 454 I HN 0.233 nan 8.210 nan 0.000 0.401 455 W N 0.475 121.784 121.300 0.016 0.000 2.699 455 W HA -0.053 4.608 4.660 0.003 0.000 0.249 455 W C 2.486 179.022 176.519 0.029 0.000 1.280 455 W CA 0.069 57.446 57.345 0.053 0.000 1.345 455 W CB -0.242 29.305 29.460 0.144 0.000 1.128 455 W HN 0.252 nan 8.180 nan 0.000 0.642 456 Q N 0.098 119.915 119.800 0.028 0.000 2.373 456 Q HA -0.073 4.268 4.340 0.002 0.000 0.210 456 Q C 0.934 176.832 176.000 -0.169 0.000 0.913 456 Q CA 1.164 56.947 55.803 -0.033 0.000 0.911 456 Q CB 0.314 28.988 28.738 -0.107 0.000 1.040 456 Q HN 0.129 nan 8.270 nan 0.000 0.521 457 D N -1.374 118.830 120.400 -0.327 0.000 2.473 457 D HA 0.043 4.684 4.640 0.002 0.000 0.242 457 D C 0.561 176.479 176.300 -0.636 0.000 1.106 457 D CA 0.285 53.951 54.000 -0.557 0.000 0.854 457 D CB 0.332 40.615 40.800 -0.863 0.000 1.192 457 D HN 0.216 nan 8.370 nan 0.000 0.503 458 Y N 0.376 120.609 120.300 -0.112 0.000 2.609 458 Y HA 0.401 4.952 4.550 0.002 0.000 0.281 458 Y C 0.944 176.817 175.900 -0.045 0.000 1.132 458 Y CA 0.125 58.165 58.100 -0.100 0.000 1.264 458 Y CB 0.905 39.274 38.460 -0.152 0.000 1.325 458 Y HN -0.257 nan 8.280 nan 0.000 0.514 459 L N -0.529 120.775 121.223 0.135 0.000 2.327 459 L HA 0.613 4.954 4.340 0.002 0.000 0.258 459 L C -1.092 175.976 176.870 0.331 0.000 1.024 459 L CA -1.296 53.679 54.840 0.225 0.000 0.825 459 L CB 2.536 44.773 42.059 0.297 0.000 1.386 459 L HN -0.439 nan 8.230 nan 0.000 0.417 460 V N 0.569 120.641 119.914 0.264 0.000 2.481 460 V HA 0.844 4.965 4.120 0.002 0.000 0.286 460 V C 0.441 176.635 176.094 0.166 0.000 1.042 460 V CA -0.012 62.401 62.300 0.189 0.000 0.928 460 V CB 1.162 33.035 31.823 0.084 0.000 0.986 460 V HN 0.937 nan 8.190 nan 0.000 0.462 461 G N 1.907 110.730 108.800 0.039 0.000 2.749 461 G HA2 0.445 4.406 3.960 0.002 0.000 0.300 461 G HA3 0.445 4.406 3.960 0.002 0.000 0.300 461 G C 0.679 175.420 174.900 -0.265 0.000 1.352 461 G CA 0.285 45.225 45.100 -0.267 0.000 0.789 461 G HN 0.715 nan 8.290 nan 0.000 0.509 462 S N -1.171 114.318 115.700 -0.351 0.000 2.383 462 S HA -0.023 4.448 4.470 0.002 0.000 0.229 462 S C 2.281 176.706 174.600 -0.293 0.000 1.030 462 S CA 2.041 60.084 58.200 -0.262 0.000 1.002 462 S CB -0.535 62.524 63.200 -0.235 0.000 0.829 462 S HN 1.339 nan 8.310 nan 0.000 0.467 463 G N 0.715 109.299 108.800 -0.360 0.000 2.572 463 G HA2 0.032 3.993 3.960 0.002 0.000 0.216 463 G HA3 0.032 3.993 3.960 0.002 0.000 0.216 463 G C 1.413 176.025 174.900 -0.480 0.000 1.133 463 G CA 0.561 45.383 45.100 -0.464 0.000 0.791 463 G HN 0.562 nan 8.290 nan 0.000 0.538 464 S N 0.326 115.939 115.700 -0.144 0.000 2.400 464 S HA -0.132 4.339 4.470 0.002 0.000 0.232 464 S C 2.421 176.900 174.600 -0.201 0.000 1.025 464 S CA 1.049 59.221 58.200 -0.047 0.000 0.993 464 S CB -0.163 63.060 63.200 0.038 0.000 0.808 464 S HN 0.205 nan 8.310 nan 0.000 0.478 465 V N 1.701 121.471 119.914 -0.240 0.000 2.688 465 V HA -0.144 3.977 4.120 0.002 0.000 0.256 465 V C 1.903 177.811 176.094 -0.311 0.000 1.084 465 V CA 1.205 63.369 62.300 -0.227 0.000 1.103 465 V CB -0.611 31.094 31.823 -0.197 0.000 0.688 465 V HN 0.432 nan 8.190 nan 0.000 0.480 466 I N -1.403 118.848 120.570 -0.531 0.000 2.681 466 I HA -0.004 4.167 4.170 0.002 0.000 0.247 466 I C 2.359 177.842 176.117 -1.057 0.000 1.091 466 I CA 1.182 62.063 61.300 -0.698 0.000 1.442 466 I CB -1.253 36.166 38.000 -0.967 0.000 1.219 466 I HN 0.256 nan 8.210 nan 0.000 0.451 467 Y N 1.707 121.468 120.300 -0.897 0.000 2.384 467 Y HA -0.147 4.404 4.550 0.002 0.000 0.289 467 Y C 2.101 177.596 175.900 -0.674 0.000 1.152 467 Y CA 0.917 58.373 58.100 -1.073 0.000 1.258 467 Y CB -1.209 36.998 38.460 -0.422 0.000 0.979 467 Y HN 0.375 nan 8.280 nan 0.000 0.549 468 N N -1.109 117.415 118.700 -0.293 0.000 2.830 468 N HA -0.016 4.725 4.740 0.002 0.000 0.232 468 N C 1.227 176.685 175.510 -0.086 0.000 1.062 468 N CA 0.318 53.301 53.050 -0.111 0.000 1.204 468 N CB -0.193 38.258 38.487 -0.060 0.000 1.589 468 N HN -0.034 nan 8.380 nan 0.000 0.604 469 N N 1.802 120.445 118.700 -0.095 0.000 2.058 469 N HA -0.258 4.484 4.740 0.002 0.000 0.200 469 N C 1.603 177.110 175.510 -0.005 0.000 1.033 469 N CA 2.077 55.093 53.050 -0.057 0.000 0.880 469 N CB -0.648 37.787 38.487 -0.085 0.000 1.069 469 N HN 0.320 nan 8.380 nan 0.000 0.461 470 A N 0.210 123.023 122.820 -0.011 0.000 1.883 470 A HA -0.128 4.194 4.320 0.002 0.000 0.217 470 A C 1.941 179.694 177.584 0.281 0.000 1.186 470 A CA 1.376 53.490 52.037 0.129 0.000 0.624 470 A CB -0.907 18.233 19.000 0.234 0.000 0.822 470 A HN 0.238 nan 8.150 nan 0.000 0.444 471 F N -0.023 119.938 119.950 0.018 0.000 2.171 471 F HA -0.094 4.434 4.527 0.002 0.000 0.300 471 F C 2.225 178.040 175.800 0.026 0.000 1.090 471 F CA 0.311 58.327 58.000 0.027 0.000 1.293 471 F CB -0.982 38.017 39.000 -0.001 0.000 1.013 471 F HN 0.142 nan 8.300 nan 0.000 0.486 472 I N -0.286 120.399 120.570 0.191 0.000 2.226 472 I HA -0.291 3.880 4.170 0.002 0.000 0.245 472 I C 2.588 178.748 176.117 0.072 0.000 1.100 472 I CA 1.217 62.570 61.300 0.089 0.000 1.374 472 I CB -0.709 37.321 38.000 0.050 0.000 1.057 472 I HN 0.048 nan 8.210 nan 0.000 0.413 473 A N 0.648 123.517 122.820 0.083 0.000 1.898 473 A HA -0.249 4.072 4.320 0.002 0.000 0.216 473 A C 2.219 179.845 177.584 0.071 0.000 1.181 473 A CA 1.323 53.393 52.037 0.055 0.000 0.620 473 A CB -0.945 18.082 19.000 0.045 0.000 0.819 473 A HN 0.418 nan 8.150 nan 0.000 0.442 474 F N 1.164 121.076 119.950 -0.063 0.000 2.095 474 F HA -0.133 4.395 4.527 0.002 0.000 0.298 474 F C 2.519 178.278 175.800 -0.069 0.000 1.104 474 F CA 1.126 59.060 58.000 -0.110 0.000 1.232 474 F CB -0.576 38.322 39.000 -0.171 0.000 0.987 474 F HN 0.244 nan 8.300 nan 0.000 0.475 475 A N 0.139 122.926 122.820 -0.054 0.000 1.933 475 A HA -0.192 4.130 4.320 0.002 0.000 0.218 475 A C 2.218 179.724 177.584 -0.129 0.000 1.175 475 A CA 1.801 53.753 52.037 -0.142 0.000 0.628 475 A CB -0.888 18.077 19.000 -0.059 0.000 0.814 475 A HN 0.538 nan 8.150 nan 0.000 0.444 476 N N -0.191 118.467 118.700 -0.070 0.000 2.109 476 N HA -0.089 4.653 4.740 0.002 0.000 0.188 476 N C 0.274 175.742 175.510 -0.069 0.000 1.034 476 N CA 1.583 54.603 53.050 -0.051 0.000 0.846 476 N CB -0.106 38.370 38.487 -0.019 0.000 1.010 476 N HN 0.445 nan 8.380 nan 0.000 0.425 477 D N 0.291 120.648 120.400 -0.072 0.000 2.469 477 D HA 0.213 4.855 4.640 0.002 0.000 0.213 477 D C 0.498 176.742 176.300 -0.093 0.000 1.135 477 D CA -0.085 53.878 54.000 -0.062 0.000 0.834 477 D CB 1.141 41.929 40.800 -0.020 0.000 1.009 477 D HN 0.109 nan 8.370 nan 0.000 0.507 478 L N 0.987 122.073 121.223 -0.228 0.000 4.040 478 L HA -0.209 4.133 4.340 0.002 0.000 0.410 478 L C -0.496 176.397 176.870 0.039 0.000 1.187 478 L CA 0.608 55.233 54.840 -0.358 0.000 0.956 478 L CB -1.343 40.585 42.059 -0.218 0.000 2.022 478 L HN 0.060 nan 8.230 nan 0.000 0.897 479 D N -0.493 119.970 120.400 0.105 0.000 2.470 479 D HA 0.268 4.909 4.640 0.002 0.000 0.233 479 D C -1.621 174.666 176.300 -0.022 0.000 1.372 479 D CA -1.329 52.719 54.000 0.079 0.000 0.994 479 D CB 1.804 42.652 40.800 0.080 0.000 1.377 479 D HN -0.186 nan 8.370 nan 0.000 0.586 480 P HA -0.100 nan 4.420 nan 0.000 0.222 480 P C 0.798 178.079 177.300 -0.031 0.000 1.147 480 P CA 0.512 63.503 63.100 -0.182 0.000 0.790 480 P CB 0.538 31.904 31.700 -0.557 0.000 0.780 481 N N 0.334 119.015 118.700 -0.032 0.000 2.453 481 N HA -0.070 4.671 4.740 0.002 0.000 0.183 481 N C 1.242 176.770 175.510 0.030 0.000 1.041 481 N CA 0.784 53.868 53.050 0.057 0.000 0.900 481 N CB -0.194 38.353 38.487 0.100 0.000 0.961 481 N HN 0.203 nan 8.380 nan 0.000 0.443 482 K N 0.760 121.170 120.400 0.017 0.000 2.589 482 K HA 0.114 4.435 4.320 0.002 0.000 0.192 482 K C 1.261 177.854 176.600 -0.011 0.000 1.029 482 K CA -0.023 56.268 56.287 0.006 0.000 1.031 482 K CB -0.051 32.455 32.500 0.009 0.000 0.821 482 K HN 0.110 nan 8.250 nan 0.000 0.502 483 A N 0.677 123.490 122.820 -0.012 0.000 2.169 483 A HA 0.242 4.564 4.320 0.002 0.000 0.212 483 A C 1.186 178.716 177.584 -0.091 0.000 1.153 483 A CA 0.661 52.677 52.037 -0.035 0.000 0.756 483 A CB -0.220 18.771 19.000 -0.014 0.000 0.813 483 A HN 0.337 nan 8.150 nan 0.000 0.471 484 G N -0.243 108.495 108.800 -0.104 0.000 2.326 484 G HA2 -0.178 3.783 3.960 0.002 0.000 0.286 484 G HA3 -0.178 3.783 3.960 0.002 0.000 0.286 484 G C -0.192 174.514 174.900 -0.324 0.000 1.096 484 G CA 0.283 45.260 45.100 -0.206 0.000 1.003 484 G HN 0.448 nan 8.290 nan 0.000 0.503 485 L N -1.560 119.539 121.223 -0.208 0.000 2.360 485 L HA 0.431 4.772 4.340 0.002 0.000 0.271 485 L C 1.559 178.351 176.870 -0.130 0.000 1.057 485 L CA -1.093 53.626 54.840 -0.201 0.000 0.803 485 L CB 0.951 42.973 42.059 -0.061 0.000 1.207 485 L HN 0.319 nan 8.230 nan 0.000 0.445 486 W N 0.390 121.689 121.300 -0.003 0.000 2.525 486 W HA -0.050 4.611 4.660 0.002 0.000 0.259 486 W C 0.449 176.973 176.519 0.008 0.000 1.253 486 W CA -0.089 57.257 57.345 0.002 0.000 1.262 486 W CB 0.344 29.799 29.460 -0.008 0.000 1.122 486 W HN 0.423 nan 8.180 nan 0.000 0.607 487 T N 0.890 115.577 114.554 0.221 0.000 2.786 487 T HA 0.073 4.424 4.350 0.002 0.000 0.283 487 T C -0.235 174.538 174.700 0.123 0.000 0.992 487 T CA -0.729 61.455 62.100 0.140 0.000 0.954 487 T CB 0.969 69.878 68.868 0.068 0.000 0.934 487 T HN -0.094 nan 8.240 nan 0.000 0.440 488 N N 2.201 120.987 118.700 0.144 0.000 2.492 488 N HA 0.001 4.742 4.740 0.002 0.000 0.260 488 N C -0.845 174.809 175.510 0.240 0.000 1.215 488 N CA -0.170 52.989 53.050 0.182 0.000 0.923 488 N CB 0.635 39.222 38.487 0.166 0.000 1.092 488 N HN 0.550 nan 8.380 nan 0.000 0.448 489 W N 6.787 128.148 121.300 0.102 0.000 2.311 489 W HA 0.394 5.055 4.660 0.002 0.000 0.317 489 W C -2.241 174.417 176.519 0.232 0.000 1.065 489 W CA -2.424 55.009 57.345 0.147 0.000 1.364 489 W CB 0.228 29.756 29.460 0.113 0.000 1.233 489 W HN 0.426 nan 8.180 nan 0.000 0.409 490 P HA 0.046 nan 4.420 nan 0.000 0.271 490 P C 0.203 177.711 177.300 0.347 0.000 1.218 490 P CA 0.236 63.552 63.100 0.360 0.000 0.780 490 P CB 1.162 32.993 31.700 0.217 0.000 0.901 491 T N 0.378 114.989 114.554 0.095 0.000 2.899 491 T HA 0.205 4.557 4.350 0.002 0.000 0.295 491 T C -0.504 174.185 174.700 -0.019 0.000 1.033 491 T CA -0.323 61.670 62.100 -0.179 0.000 1.084 491 T CB 0.260 68.963 68.868 -0.276 0.000 0.979 491 T HN 0.301 nan 8.240 nan 0.000 0.532 492 Y N 1.964 122.170 120.300 -0.158 0.000 2.335 492 Y HA 0.411 4.962 4.550 0.002 0.000 0.339 492 Y C 1.392 177.232 175.900 -0.099 0.000 0.987 492 Y CA -0.437 57.622 58.100 -0.070 0.000 1.140 492 Y CB 1.429 39.879 38.460 -0.017 0.000 1.173 492 Y HN 1.010 nan 8.280 nan 0.000 0.486 493 T N -0.255 114.273 114.554 -0.043 0.000 3.087 493 T HA 0.287 4.639 4.350 0.002 0.000 0.237 493 T C 0.342 175.053 174.700 0.018 0.000 0.990 493 T CA 0.579 62.672 62.100 -0.013 0.000 1.160 493 T CB -0.262 68.552 68.868 -0.090 0.000 0.923 493 T HN 0.554 nan 8.240 nan 0.000 0.442 494 S N 0.510 116.095 115.700 -0.192 0.000 2.596 494 S HA 0.473 4.944 4.470 0.002 0.000 0.270 494 S C 0.729 175.137 174.600 -0.321 0.000 1.155 494 S CA 0.008 58.146 58.200 -0.103 0.000 0.827 494 S CB 1.333 64.457 63.200 -0.126 0.000 1.130 494 S HN 0.516 nan 8.310 nan 0.000 0.467 495 S N 0.442 116.065 115.700 -0.128 0.000 2.603 495 S HA 0.020 4.491 4.470 0.002 0.000 0.229 495 S C 1.187 175.647 174.600 -0.234 0.000 0.972 495 S CA 0.793 58.880 58.200 -0.187 0.000 0.935 495 S CB -0.787 62.297 63.200 -0.192 0.000 0.769 495 S HN 1.486 nan 8.310 nan 0.000 0.536 496 S N 0.345 115.919 115.700 -0.211 0.000 2.650 496 S HA 0.190 4.661 4.470 0.002 0.000 0.240 496 S C 0.426 174.931 174.600 -0.159 0.000 1.007 496 S CA -0.838 57.261 58.200 -0.169 0.000 0.984 496 S CB -0.408 62.710 63.200 -0.137 0.000 0.910 496 S HN 0.761 nan 8.310 nan 0.000 0.509 497 Q N 1.830 121.508 119.800 -0.202 0.000 2.454 497 Q HA 0.417 4.758 4.340 0.002 0.000 0.247 497 Q C -0.170 175.747 176.000 -0.140 0.000 1.028 497 Q CA -0.311 55.389 55.803 -0.172 0.000 0.910 497 Q CB 0.338 28.945 28.738 -0.219 0.000 1.276 497 Q HN 0.357 nan 8.270 nan 0.000 0.489 498 S N 0.413 116.052 115.700 -0.101 0.000 2.565 498 S HA 0.629 5.100 4.470 0.002 0.000 0.274 498 S C 0.540 175.098 174.600 -0.070 0.000 1.309 498 S CA -0.048 58.107 58.200 -0.075 0.000 1.043 498 S CB 0.754 63.922 63.200 -0.053 0.000 0.939 498 S HN 1.390 nan 8.310 nan 0.000 0.504 499 G N 2.297 111.065 108.800 -0.054 0.000 2.781 499 G HA2 -0.197 3.764 3.960 0.002 0.000 0.683 499 G HA3 -0.197 3.764 3.960 0.002 0.000 0.683 499 G C -0.685 174.186 174.900 -0.048 0.000 1.390 499 G CA -0.734 44.344 45.100 -0.037 0.000 0.850 499 G HN 1.007 nan 8.290 nan 0.000 0.557 500 N N 0.900 119.586 118.700 -0.022 0.000 2.458 500 N HA 0.243 4.985 4.740 0.002 0.000 0.258 500 N C 0.898 176.393 175.510 -0.026 0.000 1.219 500 N CA 0.515 53.554 53.050 -0.019 0.000 0.902 500 N CB 0.304 38.791 38.487 0.001 0.000 1.076 500 N HN 0.734 nan 8.380 nan 0.000 0.455 501 N N 2.247 120.923 118.700 -0.040 0.000 2.194 501 N HA 0.154 4.895 4.740 0.002 0.000 0.231 501 N C -1.076 174.533 175.510 0.165 0.000 1.247 501 N CA 0.008 53.035 53.050 -0.039 0.000 0.884 501 N CB 0.504 38.765 38.487 -0.377 0.000 1.146 501 N HN 0.321 nan 8.380 nan 0.000 0.516 502 L N 0.604 121.904 121.223 0.128 0.000 2.408 502 L HA 0.518 4.860 4.340 0.002 0.000 0.268 502 L C -0.775 176.061 176.870 -0.056 0.000 0.986 502 L CA -1.096 53.837 54.840 0.155 0.000 0.820 502 L CB 2.196 44.341 42.059 0.144 0.000 1.303 502 L HN -0.019 nan 8.230 nan 0.000 0.411 503 M N 3.697 123.169 119.600 -0.212 0.000 2.146 503 M HA 0.309 4.791 4.480 0.002 0.000 0.352 503 M C -0.729 175.323 176.300 -0.414 0.000 1.343 503 M CA 0.479 55.407 55.300 -0.621 0.000 1.115 503 M CB 0.469 32.059 32.600 -1.682 0.000 1.657 503 M HN 0.447 nan 8.290 nan 0.000 0.471 504 Q N 5.130 124.630 119.800 -0.501 0.000 2.351 504 Q HA 0.723 5.064 4.340 0.002 0.000 0.273 504 Q C -1.220 174.562 176.000 -0.364 0.000 1.077 504 Q CA -0.862 54.635 55.803 -0.510 0.000 0.843 504 Q CB 2.402 30.554 28.738 -0.977 0.000 1.367 504 Q HN 0.764 nan 8.270 nan 0.000 0.449 505 I N 1.769 122.277 120.570 -0.102 0.000 2.498 505 I HA 0.304 4.476 4.170 0.002 0.000 0.290 505 I C -0.633 175.593 176.117 0.182 0.000 1.032 505 I CA -0.874 60.437 61.300 0.019 0.000 1.073 505 I CB 1.719 39.651 38.000 -0.113 0.000 1.251 505 I HN 0.670 nan 8.210 nan 0.000 0.426 506 N N 3.370 122.170 118.700 0.167 0.000 2.741 506 N HA 0.405 5.147 4.740 0.002 0.000 0.310 506 N C 1.033 176.515 175.510 -0.048 0.000 1.295 506 N CA -0.576 52.507 53.050 0.055 0.000 0.893 506 N CB 0.483 38.922 38.487 -0.080 0.000 1.247 506 N HN 0.532 nan 8.380 nan 0.000 0.596 507 G N -0.983 107.773 108.800 -0.073 0.000 2.462 507 G HA2 -0.131 3.830 3.960 0.002 0.000 0.220 507 G HA3 -0.131 3.830 3.960 0.002 0.000 0.220 507 G C 0.712 175.534 174.900 -0.130 0.000 1.121 507 G CA 0.811 45.845 45.100 -0.111 0.000 0.758 507 G HN 0.377 nan 8.290 nan 0.000 0.559 508 L N -0.902 120.258 121.223 -0.105 0.000 2.435 508 L HA 0.364 4.705 4.340 0.002 0.000 0.195 508 L C 1.626 178.446 176.870 -0.084 0.000 1.072 508 L CA 1.555 56.338 54.840 -0.095 0.000 0.833 508 L CB -1.155 40.857 42.059 -0.078 0.000 1.081 508 L HN 0.292 nan 8.230 nan 0.000 0.485 509 G N -0.808 107.956 108.800 -0.060 0.000 3.107 509 G HA2 0.590 4.552 3.960 0.002 0.000 0.233 509 G HA3 0.590 4.552 3.960 0.002 0.000 0.233 509 G C -1.129 173.778 174.900 0.011 0.000 1.168 509 G CA -0.478 44.602 45.100 -0.033 0.000 0.801 509 G HN -0.050 nan 8.290 nan 0.000 0.605 510 L N -0.118 121.129 121.223 0.041 0.000 2.313 510 L HA 0.818 5.160 4.340 0.002 0.000 0.268 510 L C -0.416 176.585 176.870 0.218 0.000 1.010 510 L CA -1.001 53.880 54.840 0.068 0.000 0.814 510 L CB 2.001 44.027 42.059 -0.055 0.000 1.304 510 L HN 0.806 nan 8.230 nan 0.000 0.441 511 Y N -1.444 118.805 120.300 -0.085 0.000 2.852 511 Y HA 0.619 5.170 4.550 0.002 0.000 0.350 511 Y C -0.920 174.944 175.900 -0.061 0.000 1.272 511 Y CA -1.331 56.738 58.100 -0.053 0.000 1.086 511 Y CB 0.727 39.165 38.460 -0.037 0.000 1.408 511 Y HN 0.605 nan 8.280 nan 0.000 0.447 512 T N -0.898 113.556 114.554 -0.167 0.000 2.930 512 T HA 0.968 5.319 4.350 0.002 0.000 0.290 512 T C -0.173 174.414 174.700 -0.188 0.000 1.052 512 T CA -0.266 61.687 62.100 -0.245 0.000 1.017 512 T CB 1.744 70.566 68.868 -0.077 0.000 1.137 512 T HN 1.759 nan 8.240 nan 0.000 0.511 513 G N 0.228 108.946 108.800 -0.136 0.000 2.682 513 G HA2 0.632 4.594 3.960 0.002 0.000 0.303 513 G HA3 0.632 4.594 3.960 0.002 0.000 0.303 513 G C -1.792 173.120 174.900 0.020 0.000 1.341 513 G CA -1.110 43.976 45.100 -0.024 0.000 0.784 513 G HN 0.802 nan 8.290 nan 0.000 0.497 514 K N -0.287 120.150 120.400 0.062 0.000 2.208 514 K HA 0.395 4.716 4.320 0.002 0.000 0.247 514 K C -1.264 175.374 176.600 0.064 0.000 0.953 514 K CA -0.713 55.593 56.287 0.032 0.000 0.837 514 K CB 2.420 34.918 32.500 -0.004 0.000 1.131 514 K HN 0.373 nan 8.250 nan 0.000 0.431 515 D N 1.893 122.260 120.400 -0.054 0.000 3.139 515 D HA 0.038 4.679 4.640 0.002 0.000 0.268 515 D C -0.122 175.897 176.300 -0.467 0.000 1.322 515 D CA -0.146 53.712 54.000 -0.238 0.000 0.940 515 D CB -0.208 40.617 40.800 0.042 0.000 1.050 515 D HN 0.502 nan 8.370 nan 0.000 0.503 516 N N 0.525 118.971 118.700 -0.425 0.000 2.170 516 N HA 0.043 4.784 4.740 0.002 0.000 0.222 516 N C -0.087 175.260 175.510 -0.273 0.000 1.218 516 N CA -0.523 52.331 53.050 -0.327 0.000 0.889 516 N CB -0.777 37.614 38.487 -0.159 0.000 1.083 516 N HN 0.089 nan 8.380 nan 0.000 0.520 517 F N 0.813 120.724 119.950 -0.065 0.000 2.444 517 F HA 0.486 5.014 4.527 0.002 0.000 0.331 517 F C 1.173 176.919 175.800 -0.089 0.000 1.167 517 F CA -1.154 56.792 58.000 -0.090 0.000 1.262 517 F CB 0.375 39.294 39.000 -0.136 0.000 1.196 517 F HN -0.113 nan 8.300 nan 0.000 0.583 518 R N -0.211 120.365 120.500 0.127 0.000 3.251 518 R HA -0.142 4.199 4.340 0.002 0.000 0.249 518 R C -2.078 174.226 176.300 0.006 0.000 0.949 518 R CA 0.460 56.581 56.100 0.036 0.000 0.645 518 R CB -1.774 28.565 30.300 0.064 0.000 1.065 518 R HN 0.639 nan 8.270 nan 0.000 0.452 519 P HA -0.177 nan 4.420 nan 0.000 0.217 519 P C 0.627 177.958 177.300 0.052 0.000 1.150 519 P CA 1.137 64.238 63.100 0.001 0.000 0.832 519 P CB 0.158 31.839 31.700 -0.031 0.000 0.787 520 D N 0.292 120.688 120.400 -0.008 0.000 2.144 520 D HA -0.085 4.557 4.640 0.002 0.000 0.200 520 D C 2.181 178.441 176.300 -0.067 0.000 0.978 520 D CA 1.491 55.473 54.000 -0.029 0.000 0.833 520 D CB -0.631 40.131 40.800 -0.063 0.000 0.961 520 D HN 0.127 nan 8.370 nan 0.000 0.470 521 A N 0.401 123.133 122.820 -0.147 0.000 1.902 521 A HA -0.223 4.098 4.320 0.002 0.000 0.217 521 A C 2.195 179.747 177.584 -0.054 0.000 1.181 521 A CA 1.270 53.172 52.037 -0.224 0.000 0.623 521 A CB -1.132 17.618 19.000 -0.415 0.000 0.818 521 A HN 0.328 nan 8.150 nan 0.000 0.443 522 Y N 0.567 120.845 120.300 -0.037 0.000 2.128 522 Y HA -0.219 4.332 4.550 0.002 0.000 0.284 522 Y C 2.929 178.877 175.900 0.080 0.000 1.154 522 Y CA 2.077 60.232 58.100 0.092 0.000 1.149 522 Y CB -0.347 38.209 38.460 0.161 0.000 0.976 522 Y HN 0.320 nan 8.280 nan 0.000 0.505 523 S N -0.285 115.506 115.700 0.152 0.000 2.368 523 S HA -0.153 4.318 4.470 0.002 0.000 0.224 523 S C 2.207 176.779 174.600 -0.046 0.000 1.029 523 S CA 1.065 59.309 58.200 0.074 0.000 0.988 523 S CB -0.766 62.503 63.200 0.115 0.000 0.838 523 S HN 0.626 nan 8.310 nan 0.000 0.462 524 A N 0.903 123.667 122.820 -0.094 0.000 1.933 524 A HA 0.048 4.369 4.320 0.002 0.000 0.218 524 A C 2.040 179.485 177.584 -0.232 0.000 1.175 524 A CA 1.243 53.213 52.037 -0.113 0.000 0.628 524 A CB -0.613 18.317 19.000 -0.116 0.000 0.814 524 A HN 0.509 nan 8.150 nan 0.000 0.444 525 L N -2.150 118.745 121.223 -0.547 0.000 2.131 525 L HA 0.126 4.467 4.340 0.002 0.000 0.206 525 L C 0.991 177.368 176.870 -0.822 0.000 1.087 525 L CA 1.590 55.815 54.840 -1.025 0.000 0.767 525 L CB -0.586 40.543 42.059 -1.551 0.000 0.917 525 L HN 0.420 nan 8.230 nan 0.000 0.441 526 F N -2.392 117.444 119.950 -0.190 0.000 2.668 526 F HA 0.270 4.798 4.527 0.002 0.000 0.301 526 F C 2.081 177.869 175.800 -0.021 0.000 1.106 526 F CA -0.245 57.661 58.000 -0.156 0.000 1.289 526 F CB -0.903 37.994 39.000 -0.171 0.000 1.006 526 F HN -0.175 nan 8.300 nan 0.000 0.535 527 S N -0.017 115.733 115.700 0.084 0.000 2.383 527 S HA -0.136 4.335 4.470 0.002 0.000 0.227 527 S C 0.989 175.626 174.600 0.062 0.000 1.026 527 S CA 1.074 59.327 58.200 0.089 0.000 0.981 527 S CB -0.200 63.029 63.200 0.047 0.000 0.818 527 S HN 0.456 nan 8.310 nan 0.000 0.472 528 N N -0.043 118.655 118.700 -0.002 0.000 2.710 528 N HA 0.185 4.927 4.740 0.002 0.000 0.244 528 N C -2.852 172.530 175.510 -0.214 0.000 1.321 528 N CA -1.346 51.641 53.050 -0.105 0.000 0.758 528 N CB 1.348 39.748 38.487 -0.144 0.000 1.284 528 N HN -0.109 nan 8.380 nan 0.000 0.530 529 P HA -0.106 nan 4.420 nan 0.000 0.216 529 P C -1.615 175.173 177.300 -0.853 0.000 1.157 529 P CA 1.435 64.266 63.100 -0.449 0.000 0.880 529 P CB -0.448 30.790 31.700 -0.770 0.000 0.791 530 P HA -0.126 nan 4.420 nan 0.000 0.218 530 P C 1.395 178.149 177.300 -0.909 0.000 1.146 530 P CA 1.652 63.781 63.100 -1.619 0.000 0.813 530 P CB -0.580 30.547 31.700 -0.955 0.000 0.778 531 S N -1.972 113.320 115.700 -0.679 0.000 2.474 531 S HA -0.041 4.430 4.470 0.002 0.000 0.235 531 S C 0.784 174.906 174.600 -0.798 0.000 0.997 531 S CA 0.978 58.770 58.200 -0.681 0.000 0.949 531 S CB -0.683 62.005 63.200 -0.854 0.000 0.766 531 S HN 0.178 nan 8.310 nan 0.000 0.517 532 F N 0.099 119.908 119.950 -0.236 0.000 2.735 532 F HA 0.440 4.968 4.527 0.002 0.000 0.304 532 F C 0.009 175.944 175.800 0.225 0.000 1.119 532 F CA -1.122 56.755 58.000 -0.205 0.000 1.280 532 F CB 0.087 38.715 39.000 -0.620 0.000 0.994 532 F HN -0.006 nan 8.300 nan 0.000 0.520 533 F N 0.818 120.820 119.950 0.088 0.000 2.406 533 F HA 0.462 4.991 4.527 0.002 0.000 0.327 533 F C 0.744 176.653 175.800 0.182 0.000 1.153 533 F CA -1.657 56.400 58.000 0.094 0.000 1.218 533 F CB 0.672 39.669 39.000 -0.004 0.000 1.215 533 F HN -0.209 nan 8.300 nan 0.000 0.570 534 V N 0.000 120.055 119.914 0.235 0.000 2.409 534 V HA 0.000 4.121 4.120 0.002 0.000 0.244 534 V CA 0.000 62.352 62.300 0.086 0.000 1.235 534 V CB 0.000 31.799 31.823 -0.039 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556