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 1x1h_1_A DATA FIRST_RESID 26 DATA SEQUENCE SDEFDALRIK WATLLTGGPA LDPADSDIAA RTDKLAQDAN DYWEDMDLSS DATA SEQUENCE SRTYIWYALR GNGTSDNVNA VYERLRTMAL AATTVGSSLY GNADLKEDIL DATA SEQUENCE DALDWLYVNS YNSTRSRSAY NWWHWQLGIP MSLNDIAVLL YDDISAARMA DATA SEQUENCE TYMDTIDYFT PSIGLTGAAR AWQAIVVGVR AVIVKDAVKL AAARNGLSGT DATA SEQUENCE GIFPYATGGD GFYADGSFVQ HTTFAYTGGY GSSVLETTAN LMYLLSGSTW DATA SEQUENCE SVSDPNQSNV WQWIYEAYRP LLYKGAMMDM VRGREISRSY AQDHAVGHGI DATA SEQUENCE VASIVRLAQF APAPHAAAFK QIAKRVIQED TFSSFYGDVS TDTIRLAKAI DATA SEQUENCE VDDPSIAPAA APNLYKQYAA MDRAVLQRPG FALGLALYST RISSYESINS DATA SEQUENCE ENGRGWYTGA GATYLYNQDL AQYSEDYWPT VDAYRIPGTT VASGTPIASG DATA SEQUENCE TGTSSWTGGV SLAGQYGASG MDLSYGAYNL SARKSWFMFD DEIVALGSGI DATA SEQUENCE SSTAGIPIET VVDNRKLNGA GDNAWTANGA ALSTGLGVAQ TLTGVNWVHL DATA SEQUENCE AGNTADGSDI GYYFPGGATL QTKREARTGT WKQINNRPAT PSTAVTRNYE DATA SEQUENCE TMWIDHGTNP SGASYGYVLL PNKTSAQVGA YAADPAIEIV VNTSGVQSVK DATA SEQUENCE EKTLGLVGAN FWTDTTQTAD LITSNKKASV MTREIADERL EASVSDPTQA DATA SEQUENCE NNGTIAIELA RSAEGYSADP GITVTQLAPT IKFTVNVNGA KGKSFHASFQ DATA SEQUENCE LG 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.643 174.600 0.072 0.000 1.055 26 S CA 0.000 58.242 58.200 0.070 0.000 1.107 26 S CB 0.000 63.233 63.200 0.054 0.000 0.593 27 D N 0.467 120.925 120.400 0.096 0.000 2.654 27 D HA 0.494 5.134 4.640 0.001 0.000 0.255 27 D C 0.895 177.234 176.300 0.066 0.000 1.101 27 D CA -0.869 53.189 54.000 0.096 0.000 1.116 27 D CB 0.424 41.334 40.800 0.184 0.000 1.348 27 D HN 0.443 nan 8.370 nan 0.000 0.609 28 E N -1.153 119.044 120.200 -0.006 0.000 2.150 28 E HA -0.125 4.225 4.350 0.001 0.000 0.193 28 E C 1.241 177.844 176.600 0.004 0.000 0.985 28 E CA 0.787 57.159 56.400 -0.047 0.000 0.814 28 E CB -0.128 29.485 29.700 -0.145 0.000 0.752 28 E HN 0.444 nan 8.360 nan 0.000 0.466 29 F N 1.760 121.797 119.950 0.145 0.000 2.102 29 F HA -0.186 4.341 4.527 0.000 0.000 0.298 29 F C 2.120 177.915 175.800 -0.008 0.000 1.105 29 F CA 1.375 59.404 58.000 0.050 0.000 1.239 29 F CB -0.533 38.473 39.000 0.009 0.000 0.991 29 F HN 0.052 nan 8.300 nan 0.000 0.474 30 D N 0.230 120.741 120.400 0.184 0.000 2.104 30 D HA -0.191 4.450 4.640 0.001 0.000 0.194 30 D C 2.368 178.696 176.300 0.047 0.000 0.994 30 D CA 1.565 55.601 54.000 0.059 0.000 0.830 30 D CB -0.795 40.048 40.800 0.071 0.000 0.959 30 D HN 0.241 nan 8.370 nan 0.000 0.452 31 A N 0.712 123.570 122.820 0.063 0.000 1.883 31 A HA -0.157 4.163 4.320 0.001 0.000 0.217 31 A C 2.441 180.063 177.584 0.064 0.000 1.186 31 A CA 1.100 53.168 52.037 0.052 0.000 0.624 31 A CB -0.854 18.168 19.000 0.037 0.000 0.822 31 A HN 0.211 nan 8.150 nan 0.000 0.444 32 L N -1.325 119.945 121.223 0.079 0.000 2.017 32 L HA -0.183 4.157 4.340 0.001 0.000 0.208 32 L C 2.814 179.752 176.870 0.114 0.000 1.073 32 L CA 1.767 56.663 54.840 0.092 0.000 0.745 32 L CB -0.488 41.628 42.059 0.095 0.000 0.894 32 L HN 0.449 nan 8.230 nan 0.000 0.432 33 R N 0.614 121.154 120.500 0.067 0.000 2.096 33 R HA -0.212 4.128 4.340 0.001 0.000 0.240 33 R C 2.300 178.660 176.300 0.101 0.000 1.139 33 R CA 1.817 57.940 56.100 0.038 0.000 0.952 33 R CB -0.331 29.881 30.300 -0.147 0.000 0.854 33 R HN 0.306 nan 8.270 nan 0.000 0.436 34 I N 0.699 121.308 120.570 0.066 0.000 2.226 34 I HA -0.294 3.877 4.170 0.001 0.000 0.245 34 I C 2.617 178.808 176.117 0.123 0.000 1.100 34 I CA 1.378 62.727 61.300 0.081 0.000 1.374 34 I CB -0.317 37.720 38.000 0.061 0.000 1.057 34 I HN 0.249 nan 8.210 nan 0.000 0.413 35 K N 0.527 121.013 120.400 0.143 0.000 2.147 35 K HA -0.249 4.071 4.320 0.001 0.000 0.205 35 K C 2.220 178.975 176.600 0.258 0.000 1.049 35 K CA 1.494 57.889 56.287 0.180 0.000 0.936 35 K CB -0.228 32.352 32.500 0.133 0.000 0.722 35 K HN 0.497 nan 8.250 nan 0.000 0.446 36 W N 1.049 122.403 121.300 0.091 0.000 2.453 36 W HA -0.097 4.563 4.660 0.001 0.000 0.289 36 W C 1.758 178.326 176.519 0.082 0.000 1.215 36 W CA 1.314 58.719 57.345 0.100 0.000 1.297 36 W CB -0.142 29.353 29.460 0.060 0.000 1.113 36 W HN 0.184 nan 8.180 nan 0.000 0.551 37 A N 0.665 123.579 122.820 0.157 0.000 1.883 37 A HA -0.247 4.073 4.320 0.001 0.000 0.217 37 A C 1.893 179.465 177.584 -0.019 0.000 1.186 37 A CA 2.679 54.756 52.037 0.066 0.000 0.624 37 A CB -1.400 17.660 19.000 0.101 0.000 0.822 37 A HN 0.259 nan 8.150 nan 0.000 0.444 38 T N -0.154 114.408 114.554 0.013 0.000 2.833 38 T HA -0.095 4.255 4.350 0.001 0.000 0.269 38 T C 1.752 176.403 174.700 -0.083 0.000 1.054 38 T CA 1.329 63.426 62.100 -0.004 0.000 1.135 38 T CB -0.346 68.550 68.868 0.047 0.000 0.869 38 T HN 0.418 nan 8.240 nan 0.000 0.466 39 L N 0.080 121.202 121.223 -0.168 0.000 2.201 39 L HA 0.063 4.403 4.340 0.001 0.000 0.212 39 L C 1.853 178.511 176.870 -0.353 0.000 1.105 39 L CA 1.163 55.814 54.840 -0.315 0.000 0.775 39 L CB -0.106 41.639 42.059 -0.523 0.000 0.913 39 L HN 0.274 nan 8.230 nan 0.000 0.440 40 L N -1.350 119.673 121.223 -0.334 0.000 2.221 40 L HA -0.036 4.305 4.340 0.001 0.000 0.202 40 L C 2.562 179.365 176.870 -0.111 0.000 1.074 40 L CA 1.251 55.952 54.840 -0.231 0.000 0.795 40 L CB -0.620 41.326 42.059 -0.188 0.000 0.960 40 L HN 0.360 nan 8.230 nan 0.000 0.458 41 T N -4.021 110.490 114.554 -0.071 0.000 3.009 41 T HA 0.198 4.549 4.350 0.001 0.000 0.258 41 T C 1.515 176.195 174.700 -0.032 0.000 1.063 41 T CA 0.837 62.924 62.100 -0.023 0.000 1.139 41 T CB 0.622 69.505 68.868 0.024 0.000 0.890 41 T HN 0.417 nan 8.240 nan 0.000 0.471 42 G N 0.517 109.289 108.800 -0.047 0.000 2.211 42 G HA2 0.337 4.297 3.960 0.001 0.000 0.201 42 G HA3 0.337 4.297 3.960 0.001 0.000 0.201 42 G C 0.891 175.774 174.900 -0.027 0.000 0.997 42 G CA 0.141 45.214 45.100 -0.044 0.000 0.652 42 G HN 1.821 nan 8.290 nan 0.000 0.500 43 G N -0.322 108.471 108.800 -0.012 0.000 2.712 43 G HA2 0.273 4.234 3.960 0.001 0.000 0.683 43 G HA3 0.273 4.234 3.960 0.001 0.000 0.683 43 G C -0.889 174.009 174.900 -0.004 0.000 1.320 43 G CA 0.286 45.389 45.100 0.005 0.000 0.847 43 G HN 0.800 nan 8.290 nan 0.000 0.553 44 P HA 0.144 nan 4.420 nan 0.000 0.225 44 P C 1.267 178.549 177.300 -0.031 0.000 1.156 44 P CA 1.785 64.879 63.100 -0.010 0.000 0.787 44 P CB 0.200 31.910 31.700 0.017 0.000 0.802 45 A N 0.305 123.113 122.820 -0.020 0.000 2.415 45 A HA 0.165 4.486 4.320 0.001 0.000 0.248 45 A C 0.943 178.505 177.584 -0.036 0.000 1.299 45 A CA -0.318 51.704 52.037 -0.025 0.000 0.899 45 A CB -0.842 18.152 19.000 -0.010 0.000 0.997 45 A HN 0.139 nan 8.150 nan 0.000 0.506 46 L N 1.815 123.009 121.223 -0.047 0.000 2.617 46 L HA 0.055 4.395 4.340 0.001 0.000 0.282 46 L C -0.503 176.329 176.870 -0.064 0.000 1.174 46 L CA 0.302 55.110 54.840 -0.055 0.000 1.016 46 L CB -0.744 41.279 42.059 -0.060 0.000 1.337 46 L HN 0.264 nan 8.230 nan 0.000 0.460 47 D N 7.716 128.082 120.400 -0.056 0.000 2.451 47 D HA 0.002 4.642 4.640 0.001 0.000 0.254 47 D C -1.434 174.828 176.300 -0.063 0.000 1.204 47 D CA -1.371 52.595 54.000 -0.057 0.000 0.896 47 D CB 1.238 42.007 40.800 -0.051 0.000 1.136 47 D HN 0.393 nan 8.370 nan 0.000 0.499 48 P HA -0.001 nan 4.420 nan 0.000 0.231 48 P C 0.780 178.048 177.300 -0.052 0.000 1.168 48 P CA 0.324 63.388 63.100 -0.060 0.000 0.779 48 P CB 0.305 31.967 31.700 -0.062 0.000 0.844 49 A N 0.049 122.840 122.820 -0.050 0.000 2.016 49 A HA -0.070 4.250 4.320 0.001 0.000 0.217 49 A C 1.354 178.907 177.584 -0.053 0.000 1.162 49 A CA 0.473 52.483 52.037 -0.044 0.000 0.662 49 A CB -1.106 17.871 19.000 -0.039 0.000 0.812 49 A HN 0.101 nan 8.150 nan 0.000 0.450 50 D N 0.519 120.880 120.400 -0.065 0.000 2.389 50 D HA 0.033 4.673 4.640 0.001 0.000 0.263 50 D C 1.339 177.585 176.300 -0.090 0.000 1.255 50 D CA 0.755 54.703 54.000 -0.085 0.000 0.914 50 D CB 0.924 41.661 40.800 -0.104 0.000 1.116 50 D HN 0.217 nan 8.370 nan 0.000 0.502 51 S N 3.726 119.375 115.700 -0.084 0.000 2.390 51 S HA -0.256 4.215 4.470 0.001 0.000 0.234 51 S C 1.267 175.817 174.600 -0.084 0.000 1.063 51 S CA 1.818 59.974 58.200 -0.072 0.000 1.108 51 S CB -0.017 63.145 63.200 -0.062 0.000 0.975 51 S HN 0.614 nan 8.310 nan 0.000 0.442 52 D N 0.452 120.771 120.400 -0.134 0.000 2.123 52 D HA -0.004 4.637 4.640 0.001 0.000 0.200 52 D C 2.066 178.301 176.300 -0.109 0.000 0.976 52 D CA 1.319 55.237 54.000 -0.137 0.000 0.831 52 D CB -0.251 40.371 40.800 -0.297 0.000 0.974 52 D HN 0.479 nan 8.370 nan 0.000 0.469 53 I N 1.541 122.037 120.570 -0.123 0.000 2.226 53 I HA -0.237 3.933 4.170 0.001 0.000 0.245 53 I C 2.614 178.692 176.117 -0.065 0.000 1.100 53 I CA 0.880 62.127 61.300 -0.089 0.000 1.374 53 I CB -0.175 37.772 38.000 -0.088 0.000 1.057 53 I HN -0.091 nan 8.210 nan 0.000 0.413 54 A N 0.612 123.394 122.820 -0.063 0.000 1.930 54 A HA -0.067 4.253 4.320 0.001 0.000 0.217 54 A C 2.513 180.074 177.584 -0.038 0.000 1.175 54 A CA 1.523 53.531 52.037 -0.047 0.000 0.627 54 A CB -0.672 18.301 19.000 -0.044 0.000 0.815 54 A HN 0.419 nan 8.150 nan 0.000 0.443 55 A N -0.611 122.185 122.820 -0.041 0.000 2.019 55 A HA -0.101 4.219 4.320 0.001 0.000 0.219 55 A C 2.175 179.742 177.584 -0.028 0.000 1.164 55 A CA 1.959 53.977 52.037 -0.031 0.000 0.644 55 A CB -0.332 18.651 19.000 -0.028 0.000 0.805 55 A HN 0.420 nan 8.150 nan 0.000 0.449 56 R N -0.045 120.435 120.500 -0.033 0.000 2.080 56 R HA -0.039 4.301 4.340 0.001 0.000 0.222 56 R C 2.196 178.480 176.300 -0.025 0.000 1.107 56 R CA 1.934 58.015 56.100 -0.031 0.000 0.980 56 R CB -1.002 29.276 30.300 -0.037 0.000 0.879 56 R HN 0.540 nan 8.270 nan 0.000 0.439 57 T N -1.630 112.908 114.554 -0.026 0.000 3.155 57 T HA -0.030 4.320 4.350 0.001 0.000 0.264 57 T C 0.746 175.442 174.700 -0.006 0.000 1.160 57 T CA 1.213 63.303 62.100 -0.016 0.000 1.075 57 T CB -0.117 68.737 68.868 -0.024 0.000 0.921 57 T HN 0.070 nan 8.240 nan 0.000 0.533 58 D N 1.152 121.546 120.400 -0.011 0.000 2.369 58 D HA 0.084 4.725 4.640 0.001 0.000 0.231 58 D C 1.953 178.248 176.300 -0.009 0.000 0.967 58 D CA 0.631 54.627 54.000 -0.006 0.000 0.905 58 D CB -0.226 40.568 40.800 -0.011 0.000 1.044 58 D HN 0.374 nan 8.370 nan 0.000 0.487 59 K N 0.587 120.977 120.400 -0.017 0.000 2.280 59 K HA -0.102 4.219 4.320 0.001 0.000 0.202 59 K C 1.932 178.520 176.600 -0.021 0.000 1.047 59 K CA 0.436 56.708 56.287 -0.025 0.000 0.942 59 K CB 0.029 32.511 32.500 -0.029 0.000 0.739 59 K HN -0.008 nan 8.250 nan 0.000 0.457 60 L N 0.944 122.163 121.223 -0.008 0.000 2.027 60 L HA -0.064 4.276 4.340 0.001 0.000 0.206 60 L C 2.243 179.125 176.870 0.020 0.000 1.074 60 L CA 2.003 56.846 54.840 0.006 0.000 0.745 60 L CB -0.654 41.410 42.059 0.010 0.000 0.898 60 L HN 0.189 nan 8.230 nan 0.000 0.433 61 A N -1.269 121.566 122.820 0.025 0.000 1.873 61 A HA -0.260 4.060 4.320 0.001 0.000 0.215 61 A C 2.297 179.903 177.584 0.037 0.000 1.186 61 A CA 1.603 53.669 52.037 0.047 0.000 0.616 61 A CB -0.737 18.296 19.000 0.055 0.000 0.823 61 A HN 0.614 nan 8.150 nan 0.000 0.442 62 Q N -0.454 119.349 119.800 0.005 0.000 2.135 62 Q HA -0.276 4.064 4.340 0.001 0.000 0.204 62 Q C 1.219 177.171 176.000 -0.079 0.000 0.981 62 Q CA 2.163 57.952 55.803 -0.024 0.000 0.856 62 Q CB -0.186 28.530 28.738 -0.035 0.000 0.902 62 Q HN 0.660 nan 8.270 nan 0.000 0.425 63 D N -0.370 119.968 120.400 -0.104 0.000 2.162 63 D HA -0.031 4.610 4.640 0.001 0.000 0.203 63 D C 1.647 177.786 176.300 -0.268 0.000 0.967 63 D CA 1.183 55.028 54.000 -0.258 0.000 0.840 63 D CB -0.077 40.630 40.800 -0.156 0.000 0.972 63 D HN 0.393 nan 8.370 nan 0.000 0.482 64 A N 0.851 123.681 122.820 0.017 0.000 1.873 64 A HA -0.178 4.143 4.320 0.001 0.000 0.215 64 A C 1.965 179.691 177.584 0.236 0.000 1.186 64 A CA 1.198 53.347 52.037 0.187 0.000 0.616 64 A CB -0.517 18.563 19.000 0.132 0.000 0.823 64 A HN 0.125 nan 8.150 nan 0.000 0.442 65 N N 0.224 119.037 118.700 0.187 0.000 2.205 65 N HA -0.157 4.583 4.740 0.001 0.000 0.186 65 N C 1.053 176.655 175.510 0.152 0.000 1.015 65 N CA 1.698 54.896 53.050 0.246 0.000 0.862 65 N CB -0.391 38.187 38.487 0.152 0.000 0.986 65 N HN 0.502 nan 8.380 nan 0.000 0.429 66 D N -0.445 119.949 120.400 -0.010 0.000 2.144 66 D HA -0.094 4.546 4.640 0.001 0.000 0.200 66 D C 1.587 177.907 176.300 0.033 0.000 0.978 66 D CA 0.955 54.899 54.000 -0.092 0.000 0.833 66 D CB -0.044 40.570 40.800 -0.311 0.000 0.961 66 D HN 0.288 nan 8.370 nan 0.000 0.470 67 Y N -1.134 119.274 120.300 0.181 0.000 2.206 67 Y HA -0.053 4.497 4.550 0.001 0.000 0.292 67 Y C 2.021 178.310 175.900 0.649 0.000 1.123 67 Y CA 0.223 58.521 58.100 0.330 0.000 1.142 67 Y CB -0.915 37.642 38.460 0.161 0.000 1.006 67 Y HN 0.120 nan 8.280 nan 0.000 0.518 68 W N 1.818 123.367 121.300 0.414 0.000 2.350 68 W HA -0.184 4.477 4.660 0.001 0.000 0.289 68 W C 2.218 178.829 176.519 0.154 0.000 1.215 68 W CA 1.932 59.421 57.345 0.239 0.000 1.236 68 W CB -0.434 29.114 29.460 0.147 0.000 1.130 68 W HN 0.303 nan 8.180 nan 0.000 0.541 69 E N -0.686 119.678 120.200 0.273 0.000 2.158 69 E HA -0.155 4.195 4.350 0.001 0.000 0.191 69 E C 1.093 177.766 176.600 0.121 0.000 0.982 69 E CA 1.347 57.787 56.400 0.066 0.000 0.823 69 E CB -0.100 29.623 29.700 0.039 0.000 0.766 69 E HN -0.020 nan 8.360 nan 0.000 0.468 70 D N -0.024 120.539 120.400 0.272 0.000 2.340 70 D HA 0.062 4.703 4.640 0.001 0.000 0.220 70 D C 0.388 176.861 176.300 0.289 0.000 1.039 70 D CA 0.274 54.459 54.000 0.308 0.000 0.866 70 D CB 0.131 41.176 40.800 0.409 0.000 0.913 70 D HN 0.230 nan 8.370 nan 0.000 0.523 71 M N 0.102 119.793 119.600 0.151 0.000 2.167 71 M HA 0.030 4.510 4.480 0.001 0.000 0.300 71 M C 0.359 176.576 176.300 -0.138 0.000 1.171 71 M CA 0.384 55.539 55.300 -0.241 0.000 1.171 71 M CB 0.631 33.093 32.600 -0.230 0.000 1.396 71 M HN -0.254 nan 8.290 nan 0.000 0.466 72 D N 1.812 122.072 120.400 -0.233 0.000 2.462 72 D HA 0.175 4.815 4.640 0.001 0.000 0.249 72 D C -0.100 176.062 176.300 -0.229 0.000 1.117 72 D CA -0.273 53.626 54.000 -0.169 0.000 0.900 72 D CB 0.786 41.485 40.800 -0.168 0.000 1.039 72 D HN 0.373 nan 8.370 nan 0.000 0.516 73 L N 2.431 123.563 121.223 -0.150 0.000 2.627 73 L HA 0.041 4.382 4.340 0.001 0.000 0.233 73 L C 1.318 178.119 176.870 -0.114 0.000 1.144 73 L CA 0.291 55.058 54.840 -0.123 0.000 0.892 73 L CB -1.714 40.311 42.059 -0.056 0.000 1.039 73 L HN 0.273 nan 8.230 nan 0.000 0.442 74 S N -0.800 114.818 115.700 -0.137 0.000 2.593 74 S HA 0.109 4.579 4.470 0.001 0.000 0.269 74 S C 1.389 175.926 174.600 -0.106 0.000 1.334 74 S CA 0.068 58.203 58.200 -0.107 0.000 1.015 74 S CB 1.325 64.458 63.200 -0.111 0.000 0.912 74 S HN 0.348 nan 8.310 nan 0.000 0.541 75 S N 0.187 115.857 115.700 -0.051 0.000 2.527 75 S HA 0.031 4.502 4.470 0.001 0.000 0.222 75 S C 1.344 175.958 174.600 0.023 0.000 0.985 75 S CA 0.475 58.672 58.200 -0.005 0.000 0.921 75 S CB -0.345 62.864 63.200 0.015 0.000 0.772 75 S HN 0.752 nan 8.310 nan 0.000 0.529 76 S N 1.880 117.571 115.700 -0.016 0.000 2.568 76 S HA 0.213 4.684 4.470 0.001 0.000 0.232 76 S C 0.608 175.187 174.600 -0.035 0.000 0.975 76 S CA -0.957 57.246 58.200 0.005 0.000 0.949 76 S CB -0.356 62.837 63.200 -0.011 0.000 0.829 76 S HN 0.688 nan 8.310 nan 0.000 0.479 77 R N 0.875 121.297 120.500 -0.130 0.000 2.640 77 R HA 0.117 4.458 4.340 0.001 0.000 0.270 77 R C 0.816 177.011 176.300 -0.175 0.000 1.024 77 R CA 0.844 56.754 56.100 -0.318 0.000 1.085 77 R CB -0.254 29.727 30.300 -0.532 0.000 0.963 77 R HN 0.222 nan 8.270 nan 0.000 0.426 78 T N -1.083 113.294 114.554 -0.295 0.000 3.086 78 T HA 0.125 4.475 4.350 0.001 0.000 0.250 78 T C -0.234 174.563 174.700 0.163 0.000 1.074 78 T CA -0.141 61.999 62.100 0.067 0.000 0.988 78 T CB -0.331 68.552 68.868 0.025 0.000 0.988 78 T HN 0.738 nan 8.240 nan 0.000 0.530 79 Y N -2.157 118.049 120.300 -0.157 0.000 2.677 79 Y HA 0.634 5.184 4.550 0.001 0.000 0.334 79 Y C -0.036 175.516 175.900 -0.579 0.000 1.196 79 Y CA -2.307 55.636 58.100 -0.262 0.000 1.059 79 Y CB 0.069 38.531 38.460 0.004 0.000 1.315 79 Y HN -0.228 nan 8.280 nan 0.000 0.455 80 I N -0.370 120.059 120.570 -0.236 0.000 2.494 80 I HA 0.025 4.196 4.170 0.001 0.000 0.250 80 I C -0.021 175.831 176.117 -0.442 0.000 1.112 80 I CA 0.812 61.796 61.300 -0.526 0.000 1.438 80 I CB -0.224 37.388 38.000 -0.646 0.000 1.111 80 I HN 0.537 nan 8.210 nan 0.000 0.431 81 W N -0.269 121.062 121.300 0.053 0.000 2.781 81 W HA 0.157 4.817 4.660 0.001 0.000 0.333 81 W C 0.890 177.199 176.519 -0.349 0.000 1.047 81 W CA -1.138 56.185 57.345 -0.035 0.000 1.236 81 W CB 0.862 30.293 29.460 -0.048 0.000 1.394 81 W HN -0.015 nan 8.180 nan 0.000 0.466 82 Y N 3.282 123.266 120.300 -0.526 0.000 2.193 82 Y HA -0.281 4.269 4.550 0.001 0.000 0.285 82 Y C 2.066 177.720 175.900 -0.411 0.000 1.166 82 Y CA 3.147 60.639 58.100 -1.014 0.000 1.181 82 Y CB -0.272 37.880 38.460 -0.512 0.000 0.976 82 Y HN 0.433 nan 8.280 nan 0.000 0.520 83 A N -0.199 122.550 122.820 -0.119 0.000 2.019 83 A HA -0.095 4.225 4.320 0.001 0.000 0.219 83 A C 1.822 179.304 177.584 -0.170 0.000 1.164 83 A CA 1.769 53.726 52.037 -0.132 0.000 0.644 83 A CB -0.790 18.202 19.000 -0.013 0.000 0.805 83 A HN 0.531 nan 8.150 nan 0.000 0.449 84 L N -0.101 121.055 121.223 -0.112 0.000 3.014 84 L HA 0.162 4.502 4.340 0.001 0.000 0.263 84 L C 0.775 177.624 176.870 -0.036 0.000 1.207 84 L CA -0.601 54.201 54.840 -0.063 0.000 1.017 84 L CB -0.108 41.958 42.059 0.010 0.000 1.360 84 L HN 0.428 nan 8.230 nan 0.000 0.560 85 R N 0.634 121.046 120.500 -0.146 0.000 2.873 85 R HA 0.348 4.689 4.340 0.001 0.000 0.267 85 R C 0.314 176.648 176.300 0.056 0.000 1.009 85 R CA 0.489 56.584 56.100 -0.008 0.000 1.152 85 R CB -0.097 30.146 30.300 -0.095 0.000 1.047 85 R HN 0.097 nan 8.270 nan 0.000 0.470 86 G N 1.694 110.588 108.800 0.157 0.000 2.721 86 G HA2 -0.164 3.797 3.960 0.001 0.000 0.462 86 G HA3 -0.164 3.797 3.960 0.001 0.000 0.462 86 G C -0.418 174.596 174.900 0.190 0.000 1.062 86 G CA -0.240 44.948 45.100 0.147 0.000 1.233 86 G HN 0.736 nan 8.290 nan 0.000 0.545 87 N N 0.362 119.201 118.700 0.232 0.000 2.575 87 N HA 0.006 4.747 4.740 0.001 0.000 0.192 87 N C 1.829 177.523 175.510 0.306 0.000 1.200 87 N CA 1.002 54.212 53.050 0.267 0.000 0.897 87 N CB 0.411 39.030 38.487 0.220 0.000 0.990 87 N HN 0.792 nan 8.380 nan 0.000 0.449 88 G N 0.110 109.073 108.800 0.271 0.000 2.743 88 G HA2 -0.048 3.912 3.960 0.001 0.000 0.206 88 G HA3 -0.048 3.912 3.960 0.001 0.000 0.206 88 G C 0.346 175.480 174.900 0.390 0.000 1.115 88 G CA -0.103 45.194 45.100 0.327 0.000 0.782 88 G HN 0.185 nan 8.290 nan 0.000 0.524 89 T N 2.695 117.397 114.554 0.247 0.000 2.840 89 T HA 0.280 4.630 4.350 0.001 0.000 0.276 89 T C 1.933 176.655 174.700 0.038 0.000 0.912 89 T CA 0.501 62.707 62.100 0.178 0.000 1.116 89 T CB 1.035 69.963 68.868 0.101 0.000 0.895 89 T HN 0.360 nan 8.240 nan 0.000 0.570 90 S N 2.958 118.657 115.700 -0.002 0.000 2.399 90 S HA -0.317 4.154 4.470 0.001 0.000 0.235 90 S C 1.454 175.615 174.600 -0.731 0.000 1.063 90 S CA 1.861 59.702 58.200 -0.598 0.000 1.070 90 S CB -0.491 62.337 63.200 -0.621 0.000 0.904 90 S HN 0.617 nan 8.310 nan 0.000 0.456 91 D N 1.952 122.060 120.400 -0.487 0.000 2.126 91 D HA -0.103 4.537 4.640 0.001 0.000 0.190 91 D C 2.026 178.066 176.300 -0.434 0.000 1.001 91 D CA 1.809 55.479 54.000 -0.551 0.000 0.841 91 D CB -0.607 40.100 40.800 -0.155 0.000 0.949 91 D HN 0.701 nan 8.370 nan 0.000 0.446 92 N N -0.626 117.931 118.700 -0.239 0.000 2.142 92 N HA -0.107 4.633 4.740 0.001 0.000 0.186 92 N C 1.819 177.244 175.510 -0.142 0.000 1.023 92 N CA 0.682 53.640 53.050 -0.154 0.000 0.852 92 N CB 0.172 38.624 38.487 -0.058 0.000 0.998 92 N HN -0.001 nan 8.380 nan 0.000 0.424 93 V N 1.827 121.650 119.914 -0.152 0.000 2.343 93 V HA -0.235 3.886 4.120 0.001 0.000 0.247 93 V C 2.155 178.179 176.094 -0.117 0.000 1.051 93 V CA 1.417 63.684 62.300 -0.056 0.000 1.036 93 V CB -0.712 31.073 31.823 -0.063 0.000 0.654 93 V HN 0.465 nan 8.190 nan 0.000 0.451 94 N N 0.594 119.045 118.700 -0.415 0.000 2.166 94 N HA -0.180 4.560 4.740 0.001 0.000 0.186 94 N C 1.838 177.198 175.510 -0.250 0.000 1.019 94 N CA 1.612 54.410 53.050 -0.419 0.000 0.856 94 N CB 0.018 38.106 38.487 -0.665 0.000 0.993 94 N HN 0.472 nan 8.380 nan 0.000 0.426 95 A N 0.690 123.348 122.820 -0.270 0.000 1.930 95 A HA -0.021 4.299 4.320 0.001 0.000 0.217 95 A C 2.459 179.898 177.584 -0.241 0.000 1.175 95 A CA 0.957 52.841 52.037 -0.255 0.000 0.627 95 A CB -0.581 18.263 19.000 -0.260 0.000 0.815 95 A HN 0.189 nan 8.150 nan 0.000 0.443 96 V N -1.489 118.354 119.914 -0.118 0.000 2.343 96 V HA -0.282 3.838 4.120 0.001 0.000 0.247 96 V C 2.333 178.386 176.094 -0.068 0.000 1.051 96 V CA 1.954 64.246 62.300 -0.014 0.000 1.036 96 V CB -1.068 30.835 31.823 0.134 0.000 0.654 96 V HN 0.659 nan 8.190 nan 0.000 0.451 97 Y N 0.608 120.831 120.300 -0.128 0.000 2.293 97 Y HA -0.145 4.405 4.550 0.001 0.000 0.291 97 Y C 2.562 178.355 175.900 -0.177 0.000 1.137 97 Y CA 1.502 59.514 58.100 -0.145 0.000 1.202 97 Y CB -0.228 38.098 38.460 -0.224 0.000 0.990 97 Y HN 0.340 nan 8.280 nan 0.000 0.537 98 E N -0.251 119.893 120.200 -0.094 0.000 2.072 98 E HA -0.195 4.155 4.350 0.001 0.000 0.191 98 E C 2.251 178.701 176.600 -0.250 0.000 0.985 98 E CA 0.898 57.201 56.400 -0.161 0.000 0.801 98 E CB -0.118 29.460 29.700 -0.202 0.000 0.750 98 E HN 0.452 nan 8.360 nan 0.000 0.452 99 R N 0.531 120.769 120.500 -0.438 0.000 2.073 99 R HA -0.097 4.243 4.340 0.001 0.000 0.234 99 R C 2.482 178.582 176.300 -0.333 0.000 1.134 99 R CA 1.006 56.656 56.100 -0.750 0.000 0.952 99 R CB -0.388 29.008 30.300 -1.507 0.000 0.850 99 R HN 0.178 nan 8.270 nan 0.000 0.433 100 L N 0.329 121.476 121.223 -0.126 0.000 2.265 100 L HA -0.156 4.185 4.340 0.001 0.000 0.215 100 L C 2.727 179.560 176.870 -0.061 0.000 1.117 100 L CA 1.044 55.867 54.840 -0.029 0.000 0.782 100 L CB -0.342 41.670 42.059 -0.078 0.000 0.914 100 L HN 0.219 nan 8.230 nan 0.000 0.441 101 R N -0.363 120.094 120.500 -0.072 0.000 2.062 101 R HA -0.115 4.225 4.340 0.001 0.000 0.226 101 R C 2.211 178.491 176.300 -0.032 0.000 1.125 101 R CA 1.711 57.787 56.100 -0.039 0.000 0.966 101 R CB -0.199 30.081 30.300 -0.033 0.000 0.861 101 R HN 0.152 nan 8.270 nan 0.000 0.433 102 T N 1.355 115.882 114.554 -0.045 0.000 2.684 102 T HA -0.179 4.172 4.350 0.001 0.000 0.267 102 T C 1.833 176.548 174.700 0.026 0.000 1.036 102 T CA 1.964 64.067 62.100 0.006 0.000 1.148 102 T CB -0.143 68.763 68.868 0.064 0.000 0.863 102 T HN 0.246 nan 8.240 nan 0.000 0.436 103 M N 0.864 120.477 119.600 0.022 0.000 2.108 103 M HA -0.090 4.390 4.480 0.001 0.000 0.261 103 M C 2.768 179.033 176.300 -0.058 0.000 1.066 103 M CA 1.649 56.945 55.300 -0.006 0.000 1.107 103 M CB -0.460 32.128 32.600 -0.020 0.000 1.356 103 M HN 0.310 nan 8.290 nan 0.000 0.406 104 A N 0.377 123.167 122.820 -0.050 0.000 1.902 104 A HA -0.124 4.196 4.320 0.001 0.000 0.217 104 A C 2.106 179.680 177.584 -0.018 0.000 1.181 104 A CA 1.409 53.419 52.037 -0.045 0.000 0.623 104 A CB -0.891 18.095 19.000 -0.025 0.000 0.818 104 A HN 0.449 nan 8.150 nan 0.000 0.443 105 L N -0.798 120.424 121.223 -0.002 0.000 2.017 105 L HA -0.181 4.159 4.340 0.001 0.000 0.208 105 L C 3.072 179.958 176.870 0.026 0.000 1.073 105 L CA 1.083 55.931 54.840 0.013 0.000 0.745 105 L CB -0.543 41.520 42.059 0.006 0.000 0.894 105 L HN 0.417 nan 8.230 nan 0.000 0.432 106 A N -0.156 122.675 122.820 0.018 0.000 2.024 106 A HA -0.138 4.182 4.320 0.001 0.000 0.220 106 A C 2.257 179.861 177.584 0.033 0.000 1.164 106 A CA 1.768 53.824 52.037 0.030 0.000 0.643 106 A CB -0.549 18.468 19.000 0.027 0.000 0.806 106 A HN 0.431 nan 8.150 nan 0.000 0.451 107 A N -1.195 121.617 122.820 -0.012 0.000 2.308 107 A HA 0.291 4.611 4.320 0.001 0.000 0.217 107 A C 1.682 179.234 177.584 -0.053 0.000 1.216 107 A CA 1.470 53.475 52.037 -0.054 0.000 0.864 107 A CB -0.306 18.615 19.000 -0.131 0.000 0.902 107 A HN 0.738 nan 8.150 nan 0.000 0.499 108 T N -5.016 109.573 114.554 0.057 0.000 3.087 108 T HA 0.153 4.504 4.350 0.001 0.000 0.283 108 T C 0.252 175.134 174.700 0.304 0.000 0.956 108 T CA 0.258 62.431 62.100 0.122 0.000 0.894 108 T CB -0.114 68.792 68.868 0.064 0.000 1.160 108 T HN 0.023 nan 8.240 nan 0.000 0.532 109 T N 3.486 118.188 114.554 0.247 0.000 2.739 109 T HA 0.447 4.797 4.350 0.001 0.000 0.298 109 T C 0.282 175.016 174.700 0.057 0.000 0.929 109 T CA -0.342 61.838 62.100 0.133 0.000 1.014 109 T CB 0.842 69.743 68.868 0.056 0.000 0.914 109 T HN 0.192 nan 8.240 nan 0.000 0.509 110 V N 3.890 123.718 119.914 -0.144 0.000 2.555 110 V HA 0.260 4.380 4.120 0.001 0.000 0.299 110 V C 1.578 177.503 176.094 -0.281 0.000 1.012 110 V CA 1.662 63.646 62.300 -0.526 0.000 1.180 110 V CB -0.276 31.317 31.823 -0.382 0.000 0.887 110 V HN 1.252 nan 8.190 nan 0.000 0.476 111 G N 3.487 112.119 108.800 -0.279 0.000 2.255 111 G HA2 -0.204 3.756 3.960 0.001 0.000 0.196 111 G HA3 -0.204 3.756 3.960 0.001 0.000 0.196 111 G C 0.402 175.276 174.900 -0.042 0.000 0.998 111 G CA 0.122 45.146 45.100 -0.126 0.000 0.656 111 G HN 0.961 nan 8.290 nan 0.000 0.490 112 S N 0.707 116.412 115.700 0.009 0.000 2.580 112 S HA 0.506 4.977 4.470 0.001 0.000 0.274 112 S C 1.682 176.336 174.600 0.089 0.000 1.329 112 S CA 0.907 59.145 58.200 0.062 0.000 1.036 112 S CB 1.053 64.314 63.200 0.102 0.000 0.919 112 S HN 1.424 nan 8.310 nan 0.000 0.515 113 S N 4.021 119.765 115.700 0.073 0.000 2.754 113 S HA 0.226 4.697 4.470 0.001 0.000 0.223 113 S C 0.603 175.269 174.600 0.110 0.000 0.951 113 S CA -0.042 58.207 58.200 0.081 0.000 0.954 113 S CB -0.608 62.629 63.200 0.062 0.000 0.780 113 S HN 0.699 nan 8.310 nan 0.000 0.509 114 L N -0.420 120.877 121.223 0.123 0.000 3.386 114 L HA 0.393 4.733 4.340 0.001 0.000 0.307 114 L C -0.167 176.763 176.870 0.100 0.000 1.235 114 L CA -0.644 54.262 54.840 0.110 0.000 1.056 114 L CB 0.163 42.270 42.059 0.081 0.000 1.453 114 L HN 0.309 nan 8.230 nan 0.000 0.615 115 Y N 1.888 122.196 120.300 0.015 0.000 2.721 115 Y HA 0.247 4.797 4.550 0.001 0.000 0.329 115 Y C 1.496 177.403 175.900 0.011 0.000 1.211 115 Y CA 1.131 59.235 58.100 0.008 0.000 1.512 115 Y CB 0.619 39.085 38.460 0.010 0.000 1.249 115 Y HN 0.288 nan 8.280 nan 0.000 0.549 116 G N 4.187 112.635 108.800 -0.586 0.000 2.175 116 G HA2 -0.384 3.576 3.960 0.001 0.000 0.265 116 G HA3 -0.384 3.576 3.960 0.001 0.000 0.265 116 G C 0.279 175.073 174.900 -0.177 0.000 0.979 116 G CA 0.268 45.101 45.100 -0.445 0.000 0.663 116 G HN 0.881 nan 8.290 nan 0.000 0.533 117 N N 0.860 119.495 118.700 -0.108 0.000 2.434 117 N HA 0.364 5.105 4.740 0.001 0.000 0.268 117 N C 1.597 177.073 175.510 -0.056 0.000 1.256 117 N CA 0.882 53.911 53.050 -0.035 0.000 0.914 117 N CB 0.820 39.306 38.487 -0.001 0.000 1.088 117 N HN 0.480 nan 8.380 nan 0.000 0.478 118 A N 4.592 127.406 122.820 -0.009 0.000 1.858 118 A HA -0.161 4.159 4.320 0.001 0.000 0.216 118 A C 1.601 179.194 177.584 0.014 0.000 1.190 118 A CA 1.436 53.469 52.037 -0.007 0.000 0.617 118 A CB -0.281 18.727 19.000 0.013 0.000 0.827 118 A HN 0.760 nan 8.150 nan 0.000 0.443 119 D N -0.359 120.099 120.400 0.097 0.000 2.149 119 D HA -0.151 4.489 4.640 0.001 0.000 0.198 119 D C 1.832 178.193 176.300 0.101 0.000 0.990 119 D CA 1.432 55.547 54.000 0.192 0.000 0.839 119 D CB -0.378 40.652 40.800 0.384 0.000 0.948 119 D HN 0.355 nan 8.370 nan 0.000 0.460 120 L N 1.376 122.477 121.223 -0.202 0.000 2.027 120 L HA -0.130 4.211 4.340 0.001 0.000 0.206 120 L C 2.014 178.633 176.870 -0.417 0.000 1.074 120 L CA 1.717 56.071 54.840 -0.810 0.000 0.745 120 L CB -0.344 41.091 42.059 -1.039 0.000 0.898 120 L HN -0.169 nan 8.230 nan 0.000 0.433 121 K N -0.594 119.665 120.400 -0.235 0.000 2.009 121 K HA -0.250 4.071 4.320 0.001 0.000 0.210 121 K C 2.103 178.645 176.600 -0.097 0.000 1.049 121 K CA 1.756 57.955 56.287 -0.147 0.000 0.929 121 K CB -0.231 32.211 32.500 -0.097 0.000 0.714 121 K HN 0.246 nan 8.250 nan 0.000 0.440 122 E N 1.455 121.621 120.200 -0.057 0.000 2.077 122 E HA -0.178 4.172 4.350 0.001 0.000 0.193 122 E C 1.400 177.991 176.600 -0.015 0.000 0.989 122 E CA 1.535 57.926 56.400 -0.014 0.000 0.800 122 E CB -0.171 29.538 29.700 0.014 0.000 0.746 122 E HN 0.141 nan 8.360 nan 0.000 0.452 123 D N -0.409 119.976 120.400 -0.024 0.000 2.263 123 D HA -0.108 4.532 4.640 0.001 0.000 0.208 123 D C 1.799 178.049 176.300 -0.084 0.000 0.971 123 D CA 0.746 54.740 54.000 -0.009 0.000 0.867 123 D CB -0.035 40.827 40.800 0.103 0.000 0.929 123 D HN 0.333 nan 8.370 nan 0.000 0.492 124 I N -0.071 120.424 120.570 -0.124 0.000 2.277 124 I HA -0.157 4.013 4.170 0.001 0.000 0.243 124 I C 2.180 178.253 176.117 -0.074 0.000 1.094 124 I CA 0.507 61.734 61.300 -0.123 0.000 1.393 124 I CB -0.038 37.880 38.000 -0.137 0.000 1.078 124 I HN -0.037 nan 8.210 nan 0.000 0.417 125 L N 0.232 121.440 121.223 -0.025 0.000 2.201 125 L HA -0.192 4.148 4.340 0.001 0.000 0.212 125 L C 2.010 178.940 176.870 0.101 0.000 1.105 125 L CA 0.978 55.852 54.840 0.058 0.000 0.775 125 L CB -0.658 41.455 42.059 0.090 0.000 0.913 125 L HN 0.282 nan 8.230 nan 0.000 0.440 126 D N 0.429 120.862 120.400 0.055 0.000 2.097 126 D HA -0.119 4.521 4.640 0.001 0.000 0.197 126 D C 2.270 178.632 176.300 0.104 0.000 0.984 126 D CA 1.471 55.519 54.000 0.081 0.000 0.826 126 D CB 0.085 40.908 40.800 0.038 0.000 0.973 126 D HN 0.268 nan 8.370 nan 0.000 0.460 127 A N 1.185 124.009 122.820 0.007 0.000 1.883 127 A HA -0.173 4.148 4.320 0.001 0.000 0.217 127 A C 2.457 180.093 177.584 0.087 0.000 1.186 127 A CA 1.118 53.140 52.037 -0.025 0.000 0.624 127 A CB -0.936 17.954 19.000 -0.183 0.000 0.822 127 A HN 0.211 nan 8.150 nan 0.000 0.444 128 L N -0.467 120.770 121.223 0.023 0.000 2.042 128 L HA -0.235 4.106 4.340 0.001 0.000 0.210 128 L C 2.204 179.267 176.870 0.321 0.000 1.076 128 L CA 1.661 56.526 54.840 0.041 0.000 0.749 128 L CB -0.811 41.124 42.059 -0.206 0.000 0.893 128 L HN 0.364 nan 8.230 nan 0.000 0.432 129 D N -0.916 119.703 120.400 0.365 0.000 2.117 129 D HA -0.237 4.403 4.640 0.001 0.000 0.197 129 D C 1.764 178.288 176.300 0.372 0.000 0.987 129 D CA 1.184 55.420 54.000 0.394 0.000 0.829 129 D CB -0.324 40.640 40.800 0.274 0.000 0.961 129 D HN 0.440 nan 8.370 nan 0.000 0.460 130 W N 1.471 122.856 121.300 0.140 0.000 2.374 130 W HA -0.084 4.576 4.660 0.001 0.000 0.288 130 W C 1.952 178.544 176.519 0.122 0.000 1.218 130 W CA 0.948 58.349 57.345 0.094 0.000 1.245 130 W CB -0.202 29.274 29.460 0.025 0.000 1.126 130 W HN -0.094 nan 8.180 nan 0.000 0.545 131 L N -0.634 120.836 121.223 0.411 0.000 2.156 131 L HA -0.204 4.137 4.340 0.001 0.000 0.208 131 L C 2.388 179.426 176.870 0.280 0.000 1.095 131 L CA 1.217 56.257 54.840 0.332 0.000 0.770 131 L CB -1.211 41.066 42.059 0.363 0.000 0.914 131 L HN 0.065 nan 8.230 nan 0.000 0.439 132 Y N 0.420 120.852 120.300 0.221 0.000 2.145 132 Y HA -0.231 4.319 4.550 0.001 0.000 0.286 132 Y C 2.296 178.217 175.900 0.036 0.000 1.145 132 Y CA 1.709 59.926 58.100 0.195 0.000 1.148 132 Y CB -0.464 38.127 38.460 0.218 0.000 0.981 132 Y HN -0.142 nan 8.280 nan 0.000 0.507 133 V N 0.807 120.562 119.914 -0.264 0.000 2.453 133 V HA -0.229 3.892 4.120 0.001 0.000 0.247 133 V C 1.021 176.862 176.094 -0.422 0.000 1.048 133 V CA 2.165 64.207 62.300 -0.430 0.000 1.049 133 V CB -0.592 31.070 31.823 -0.268 0.000 0.672 133 V HN 0.431 nan 8.190 nan 0.000 0.457 134 N N -1.542 116.847 118.700 -0.519 0.000 2.205 134 N HA 0.123 4.863 4.740 0.001 0.000 0.201 134 N C 1.099 176.437 175.510 -0.286 0.000 1.128 134 N CA 0.688 53.403 53.050 -0.559 0.000 0.867 134 N CB 1.146 38.929 38.487 -1.173 0.000 0.996 134 N HN 0.354 nan 8.380 nan 0.000 0.503 135 S N -1.344 114.301 115.700 -0.092 0.000 4.696 135 S HA 0.104 4.574 4.470 0.001 0.000 0.185 135 S C -1.056 173.733 174.600 0.315 0.000 1.139 135 S CA -0.478 57.809 58.200 0.146 0.000 1.227 135 S CB -0.496 62.868 63.200 0.273 0.000 1.682 135 S HN 0.217 nan 8.310 nan 0.000 0.551 136 Y N 5.278 125.734 120.300 0.260 0.000 2.700 136 Y HA 0.563 5.113 4.550 0.001 0.000 0.333 136 Y C -0.150 175.950 175.900 0.334 0.000 1.036 136 Y CA -0.204 58.100 58.100 0.340 0.000 1.287 136 Y CB -0.067 38.610 38.460 0.361 0.000 1.132 136 Y HN 0.546 nan 8.280 nan 0.000 0.510 137 N N 0.182 118.885 118.700 0.007 0.000 3.039 137 N HA 0.077 4.818 4.740 0.001 0.000 0.257 137 N C -0.176 175.193 175.510 -0.233 0.000 1.497 137 N CA -0.393 52.600 53.050 -0.095 0.000 0.861 137 N CB 1.105 39.413 38.487 -0.298 0.000 1.479 137 N HN 0.317 nan 8.380 nan 0.000 0.547 138 S N -1.564 113.844 115.700 -0.487 0.000 2.595 138 S HA -0.132 4.339 4.470 0.001 0.000 0.235 138 S C 1.501 175.557 174.600 -0.907 0.000 0.974 138 S CA 1.348 58.802 58.200 -1.243 0.000 0.942 138 S CB -1.089 61.389 63.200 -1.203 0.000 0.766 138 S HN 0.748 nan 8.310 nan 0.000 0.536 139 T N -1.020 113.253 114.554 -0.468 0.000 3.113 139 T HA 0.237 4.588 4.350 0.001 0.000 0.256 139 T C 0.706 175.274 174.700 -0.220 0.000 1.131 139 T CA -0.377 61.536 62.100 -0.312 0.000 1.074 139 T CB -0.168 68.558 68.868 -0.237 0.000 0.944 139 T HN 0.357 nan 8.240 nan 0.000 0.516 140 R N 1.213 121.595 120.500 -0.196 0.000 2.573 140 R HA 0.583 4.923 4.340 0.001 0.000 0.272 140 R C 0.073 176.344 176.300 -0.048 0.000 1.009 140 R CA -0.576 55.448 56.100 -0.127 0.000 1.059 140 R CB 1.165 31.363 30.300 -0.170 0.000 1.112 140 R HN 0.205 nan 8.270 nan 0.000 0.517 141 S N 0.240 115.895 115.700 -0.075 0.000 2.564 141 S HA 0.052 4.523 4.470 0.001 0.000 0.278 141 S C 1.015 175.635 174.600 0.032 0.000 1.333 141 S CA -0.282 57.908 58.200 -0.018 0.000 1.048 141 S CB 0.710 63.901 63.200 -0.015 0.000 0.900 141 S HN 0.538 nan 8.310 nan 0.000 0.505 142 R N 1.801 122.320 120.500 0.032 0.000 2.153 142 R HA 0.009 4.349 4.340 0.001 0.000 0.218 142 R C 1.663 178.128 176.300 0.275 0.000 1.072 142 R CA 1.253 57.446 56.100 0.154 0.000 0.990 142 R CB -0.169 30.066 30.300 -0.108 0.000 0.889 142 R HN 0.760 nan 8.270 nan 0.000 0.452 143 S N -0.241 115.566 115.700 0.177 0.000 2.582 143 S HA 0.343 4.813 4.470 0.001 0.000 0.234 143 S C 0.554 175.327 174.600 0.289 0.000 0.961 143 S CA -0.574 57.768 58.200 0.238 0.000 0.953 143 S CB 0.624 63.892 63.200 0.112 0.000 0.800 143 S HN 0.221 nan 8.310 nan 0.000 0.471 144 A N 1.629 124.596 122.820 0.245 0.000 2.407 144 A HA 0.435 4.755 4.320 0.001 0.000 0.248 144 A C -0.224 177.700 177.584 0.568 0.000 1.082 144 A CA -0.431 51.787 52.037 0.300 0.000 0.785 144 A CB -0.233 18.834 19.000 0.113 0.000 1.020 144 A HN 0.568 nan 8.150 nan 0.000 0.489 145 Y N 2.243 122.788 120.300 0.408 0.000 2.632 145 Y HA 0.059 4.609 4.550 0.001 0.000 0.329 145 Y C 0.693 176.883 175.900 0.483 0.000 1.174 145 Y CA 0.921 59.255 58.100 0.390 0.000 1.469 145 Y CB 0.249 38.864 38.460 0.259 0.000 1.242 145 Y HN 0.749 nan 8.280 nan 0.000 0.540 146 N N 7.233 125.811 118.700 -0.203 0.000 2.444 146 N HA 0.045 4.786 4.740 0.001 0.000 0.262 146 N C 1.130 176.544 175.510 -0.159 0.000 0.974 146 N CA -0.752 51.945 53.050 -0.588 0.000 0.933 146 N CB 0.357 38.196 38.487 -1.079 0.000 1.137 146 N HN 0.954 nan 8.380 nan 0.000 0.498 147 W N 4.224 125.596 121.300 0.118 0.000 2.296 147 W HA -0.226 4.434 4.660 0.000 0.000 0.296 147 W C 0.946 177.505 176.519 0.066 0.000 1.220 147 W CA 0.403 57.888 57.345 0.234 0.000 1.223 147 W CB -1.014 28.551 29.460 0.175 0.000 1.139 147 W HN 0.685 nan 8.180 nan 0.000 0.534 148 W N 2.085 122.442 121.300 -1.572 0.000 2.335 148 W HA -0.200 4.460 4.660 0.001 0.000 0.311 148 W C 2.767 178.709 176.519 -0.962 0.000 1.213 148 W CA 3.180 59.555 57.345 -1.617 0.000 1.274 148 W CB -1.029 27.500 29.460 -1.551 0.000 1.148 148 W HN 0.017 nan 8.180 nan 0.000 0.498 149 H N -2.600 116.107 119.070 -0.603 0.000 2.321 149 H HA -0.183 4.374 4.556 0.001 0.000 0.300 149 H C 1.863 176.686 175.328 -0.841 0.000 1.087 149 H CA 2.220 57.806 56.048 -0.771 0.000 1.319 149 H CB -0.886 28.354 29.762 -0.870 0.000 1.379 149 H HN 0.205 nan 8.280 nan 0.000 0.501 150 W N 1.078 122.176 121.300 -0.337 0.000 2.388 150 W HA -0.108 4.552 4.660 0.000 0.000 0.294 150 W C 2.146 178.339 176.519 -0.544 0.000 1.212 150 W CA 0.669 57.722 57.345 -0.487 0.000 1.271 150 W CB 0.086 29.363 29.460 -0.304 0.000 1.126 150 W HN 0.256 nan 8.180 nan 0.000 0.535 151 Q N -0.748 118.977 119.800 -0.125 0.000 2.373 151 Q HA 0.128 4.468 4.340 0.001 0.000 0.210 151 Q C 1.885 177.718 176.000 -0.279 0.000 0.913 151 Q CA 0.706 56.484 55.803 -0.041 0.000 0.911 151 Q CB 0.170 29.022 28.738 0.190 0.000 1.040 151 Q HN 0.368 nan 8.270 nan 0.000 0.521 152 L N -1.572 119.236 121.223 -0.691 0.000 2.666 152 L HA 0.303 4.643 4.340 0.001 0.000 0.184 152 L C 2.242 178.458 176.870 -1.089 0.000 1.092 152 L CA 0.564 54.857 54.840 -0.911 0.000 0.857 152 L CB -0.803 40.456 42.059 -1.332 0.000 1.281 152 L HN 0.168 nan 8.230 nan 0.000 0.489 153 G N 1.429 109.273 108.800 -1.594 0.000 2.586 153 G HA2 -0.256 3.704 3.960 0.001 0.000 0.218 153 G HA3 -0.256 3.704 3.960 0.001 0.000 0.218 153 G C 1.513 176.011 174.900 -0.669 0.000 1.216 153 G CA 1.289 45.708 45.100 -1.134 0.000 0.786 153 G HN 0.200 nan 8.290 nan 0.000 0.583 154 I N 1.635 121.772 120.570 -0.722 0.000 2.142 154 I HA -0.117 4.054 4.170 0.001 0.000 0.240 154 I C -0.131 175.587 176.117 -0.665 0.000 1.078 154 I CA 1.126 61.914 61.300 -0.854 0.000 1.343 154 I CB -0.997 36.162 38.000 -1.401 0.000 1.046 154 I HN 0.181 nan 8.210 nan 0.000 0.405 155 P HA -0.166 nan 4.420 nan 0.000 0.216 155 P C 1.887 179.068 177.300 -0.197 0.000 1.150 155 P CA 1.588 64.543 63.100 -0.241 0.000 0.837 155 P CB -0.039 31.581 31.700 -0.135 0.000 0.786 156 M N -1.503 117.943 119.600 -0.257 0.000 2.159 156 M HA -0.126 4.355 4.480 0.001 0.000 0.263 156 M C 2.059 178.316 176.300 -0.073 0.000 1.063 156 M CA 1.693 56.904 55.300 -0.148 0.000 1.110 156 M CB -0.724 31.765 32.600 -0.186 0.000 1.374 156 M HN -0.064 nan 8.290 nan 0.000 0.411 157 S N 0.876 116.502 115.700 -0.123 0.000 2.345 157 S HA -0.095 4.376 4.470 0.001 0.000 0.219 157 S C 1.731 176.336 174.600 0.009 0.000 1.031 157 S CA 0.928 59.103 58.200 -0.041 0.000 0.984 157 S CB -0.403 62.772 63.200 -0.042 0.000 0.874 157 S HN 0.323 nan 8.310 nan 0.000 0.451 158 L N 2.958 124.170 121.223 -0.019 0.000 2.081 158 L HA -0.109 4.231 4.340 0.001 0.000 0.212 158 L C 1.689 178.578 176.870 0.031 0.000 1.080 158 L CA 1.711 56.571 54.840 0.033 0.000 0.754 158 L CB -1.010 41.049 42.059 0.001 0.000 0.893 158 L HN 0.151 nan 8.230 nan 0.000 0.433 159 N N -0.041 118.670 118.700 0.019 0.000 2.120 159 N HA -0.168 4.572 4.740 0.001 0.000 0.188 159 N C 1.486 177.052 175.510 0.093 0.000 1.024 159 N CA 1.539 54.607 53.050 0.031 0.000 0.852 159 N CB -0.324 38.142 38.487 -0.035 0.000 1.003 159 N HN 0.432 nan 8.380 nan 0.000 0.424 160 D N 0.366 120.850 120.400 0.140 0.000 2.144 160 D HA -0.063 4.577 4.640 0.001 0.000 0.199 160 D C 2.112 178.503 176.300 0.151 0.000 0.984 160 D CA 0.449 54.586 54.000 0.228 0.000 0.834 160 D CB -0.349 40.577 40.800 0.209 0.000 0.955 160 D HN 0.088 nan 8.370 nan 0.000 0.465 161 I N 1.111 121.732 120.570 0.085 0.000 2.226 161 I HA -0.171 3.999 4.170 0.001 0.000 0.245 161 I C 2.705 178.868 176.117 0.077 0.000 1.100 161 I CA 0.897 62.225 61.300 0.046 0.000 1.374 161 I CB -1.430 36.560 38.000 -0.017 0.000 1.057 161 I HN 0.175 nan 8.210 nan 0.000 0.413 162 A N 0.090 122.968 122.820 0.096 0.000 1.940 162 A HA -0.156 4.164 4.320 0.001 0.000 0.219 162 A C 2.491 180.218 177.584 0.238 0.000 1.176 162 A CA 2.036 54.174 52.037 0.169 0.000 0.631 162 A CB -0.814 18.295 19.000 0.183 0.000 0.814 162 A HN 0.406 nan 8.150 nan 0.000 0.446 163 V N -0.051 119.988 119.914 0.208 0.000 2.323 163 V HA -0.209 3.912 4.120 0.001 0.000 0.244 163 V C 2.553 178.770 176.094 0.206 0.000 1.041 163 V CA 1.794 64.223 62.300 0.215 0.000 1.025 163 V CB -0.765 31.233 31.823 0.291 0.000 0.656 163 V HN 0.565 nan 8.190 nan 0.000 0.451 164 L N -0.447 120.878 121.223 0.170 0.000 2.017 164 L HA -0.141 4.200 4.340 0.001 0.000 0.208 164 L C 1.907 178.845 176.870 0.113 0.000 1.073 164 L CA 1.580 56.493 54.840 0.122 0.000 0.745 164 L CB -0.410 41.697 42.059 0.081 0.000 0.894 164 L HN 0.286 nan 8.230 nan 0.000 0.432 165 L N -1.815 119.475 121.223 0.112 0.000 2.685 165 L HA 0.002 4.343 4.340 0.001 0.000 0.233 165 L C 1.863 178.812 176.870 0.131 0.000 1.173 165 L CA -0.307 54.584 54.840 0.086 0.000 0.961 165 L CB -0.521 41.563 42.059 0.041 0.000 1.217 165 L HN 0.139 nan 8.230 nan 0.000 0.478 166 Y N 1.932 122.266 120.300 0.056 0.000 2.062 166 Y HA -0.391 4.159 4.550 0.000 0.000 0.276 166 Y C 2.139 178.065 175.900 0.043 0.000 1.189 166 Y CA 2.210 60.345 58.100 0.059 0.000 1.130 166 Y CB 0.031 38.530 38.460 0.064 0.000 0.959 166 Y HN 0.335 nan 8.280 nan 0.000 0.499 167 D N -0.403 120.080 120.400 0.138 0.000 2.263 167 D HA -0.127 4.514 4.640 0.001 0.000 0.208 167 D C 0.777 177.055 176.300 -0.037 0.000 0.971 167 D CA 1.636 55.656 54.000 0.033 0.000 0.867 167 D CB -0.353 40.506 40.800 0.098 0.000 0.929 167 D HN 0.593 nan 8.370 nan 0.000 0.492 168 D N -0.363 120.024 120.400 -0.023 0.000 2.388 168 D HA 0.191 4.831 4.640 0.001 0.000 0.221 168 D C 0.156 176.438 176.300 -0.031 0.000 1.133 168 D CA -0.055 53.929 54.000 -0.027 0.000 0.831 168 D CB 0.671 41.463 40.800 -0.015 0.000 0.962 168 D HN 0.168 nan 8.370 nan 0.000 0.502 169 I N 1.577 122.102 120.570 -0.074 0.000 2.355 169 I HA 0.153 4.323 4.170 0.001 0.000 0.288 169 I C 0.476 176.508 176.117 -0.142 0.000 0.999 169 I CA -0.796 60.465 61.300 -0.065 0.000 1.163 169 I CB 1.313 39.302 38.000 -0.019 0.000 1.316 169 I HN -0.039 nan 8.210 nan 0.000 0.454 170 S N 4.664 120.295 115.700 -0.115 0.000 2.593 170 S HA 0.308 4.778 4.470 0.001 0.000 0.269 170 S C 1.327 175.826 174.600 -0.167 0.000 1.334 170 S CA -0.100 58.022 58.200 -0.129 0.000 1.015 170 S CB 1.646 64.785 63.200 -0.101 0.000 0.912 170 S HN 0.716 nan 8.310 nan 0.000 0.541 171 A N 2.073 124.804 122.820 -0.149 0.000 1.908 171 A HA 0.082 4.402 4.320 0.001 0.000 0.218 171 A C 2.420 179.897 177.584 -0.178 0.000 1.181 171 A CA 1.920 53.867 52.037 -0.150 0.000 0.627 171 A CB -1.712 17.221 19.000 -0.111 0.000 0.818 171 A HN 1.387 nan 8.150 nan 0.000 0.445 172 A N -0.440 122.279 122.820 -0.168 0.000 1.908 172 A HA -0.179 4.141 4.320 0.001 0.000 0.218 172 A C 2.275 179.675 177.584 -0.307 0.000 1.181 172 A CA 1.681 53.605 52.037 -0.189 0.000 0.627 172 A CB -0.421 18.497 19.000 -0.137 0.000 0.818 172 A HN 0.561 nan 8.150 nan 0.000 0.445 173 R N -2.109 118.175 120.500 -0.360 0.000 2.073 173 R HA -0.023 4.317 4.340 0.001 0.000 0.229 173 R C 2.195 177.856 176.300 -1.064 0.000 1.120 173 R CA 1.494 57.191 56.100 -0.671 0.000 0.967 173 R CB -0.331 29.706 30.300 -0.438 0.000 0.862 173 R HN 0.502 nan 8.270 nan 0.000 0.436 174 M N 0.702 119.969 119.600 -0.554 0.000 2.213 174 M HA -0.077 4.404 4.480 0.001 0.000 0.263 174 M C 1.986 178.120 176.300 -0.277 0.000 1.062 174 M CA 1.524 56.633 55.300 -0.319 0.000 1.105 174 M CB -0.264 32.250 32.600 -0.143 0.000 1.385 174 M HN 0.166 nan 8.290 nan 0.000 0.417 175 A N -0.776 121.863 122.820 -0.301 0.000 1.858 175 A HA -0.203 4.117 4.320 0.001 0.000 0.216 175 A C 2.271 179.688 177.584 -0.279 0.000 1.190 175 A CA 2.670 54.571 52.037 -0.226 0.000 0.617 175 A CB -1.724 17.155 19.000 -0.203 0.000 0.827 175 A HN 0.665 nan 8.150 nan 0.000 0.443 176 T N -2.786 111.466 114.554 -0.503 0.000 2.803 176 T HA -0.202 4.149 4.350 0.001 0.000 0.269 176 T C 1.756 176.276 174.700 -0.300 0.000 1.052 176 T CA 1.622 63.280 62.100 -0.737 0.000 1.136 176 T CB -0.697 67.361 68.868 -1.351 0.000 0.864 176 T HN 0.622 nan 8.240 nan 0.000 0.467 177 Y N 0.483 120.691 120.300 -0.154 0.000 2.176 177 Y HA 0.078 4.628 4.550 0.001 0.000 0.291 177 Y C 3.016 178.947 175.900 0.052 0.000 1.122 177 Y CA 0.352 58.463 58.100 0.017 0.000 1.128 177 Y CB -0.236 38.250 38.460 0.042 0.000 1.005 177 Y HN 0.102 nan 8.280 nan 0.000 0.509 178 M N 0.052 119.750 119.600 0.163 0.000 2.254 178 M HA -0.164 4.317 4.480 0.001 0.000 0.265 178 M C 1.306 177.647 176.300 0.069 0.000 1.066 178 M CA 1.249 56.609 55.300 0.100 0.000 1.123 178 M CB -0.891 31.736 32.600 0.045 0.000 1.388 178 M HN 0.281 nan 8.290 nan 0.000 0.425 179 D N 0.057 120.474 120.400 0.028 0.000 2.117 179 D HA -0.097 4.543 4.640 0.001 0.000 0.197 179 D C 1.866 178.217 176.300 0.085 0.000 0.987 179 D CA 1.511 55.526 54.000 0.026 0.000 0.829 179 D CB -0.154 40.635 40.800 -0.020 0.000 0.961 179 D HN 0.310 nan 8.370 nan 0.000 0.460 180 T N 1.323 115.950 114.554 0.122 0.000 2.777 180 T HA -0.052 4.298 4.350 0.001 0.000 0.266 180 T C 2.241 177.106 174.700 0.275 0.000 1.040 180 T CA 0.452 62.654 62.100 0.171 0.000 1.141 180 T CB -0.081 68.892 68.868 0.175 0.000 0.868 180 T HN 0.161 nan 8.240 nan 0.000 0.444 181 I N 1.110 121.838 120.570 0.265 0.000 2.286 181 I HA -0.162 4.008 4.170 0.001 0.000 0.248 181 I C 2.462 178.697 176.117 0.197 0.000 1.115 181 I CA 1.319 62.784 61.300 0.275 0.000 1.392 181 I CB -0.333 37.777 38.000 0.183 0.000 1.065 181 I HN 0.195 nan 8.210 nan 0.000 0.418 182 D N 0.258 120.736 120.400 0.130 0.000 2.117 182 D HA -0.267 4.374 4.640 0.001 0.000 0.198 182 D C 2.079 178.418 176.300 0.064 0.000 0.982 182 D CA 1.197 55.240 54.000 0.073 0.000 0.828 182 D CB -0.143 40.683 40.800 0.043 0.000 0.967 182 D HN 0.359 nan 8.370 nan 0.000 0.464 183 Y N -0.192 120.078 120.300 -0.051 0.000 2.165 183 Y HA -0.193 4.358 4.550 0.000 0.000 0.286 183 Y C 1.665 177.432 175.900 -0.221 0.000 1.155 183 Y CA 1.595 59.586 58.100 -0.183 0.000 1.164 183 Y CB -0.614 37.654 38.460 -0.320 0.000 0.978 183 Y HN -0.033 nan 8.280 nan 0.000 0.513 184 F N -0.252 119.557 119.950 -0.236 0.000 2.149 184 F HA 0.027 4.554 4.527 0.001 0.000 0.294 184 F C 1.091 176.807 175.800 -0.140 0.000 1.095 184 F CA 1.575 59.419 58.000 -0.261 0.000 1.276 184 F CB -0.395 38.608 39.000 0.005 0.000 1.023 184 F HN -0.184 nan 8.300 nan 0.000 0.480 185 T N 1.998 116.626 114.554 0.122 0.000 3.226 185 T HA 0.197 4.548 4.350 0.001 0.000 0.378 185 T C -1.982 172.733 174.700 0.025 0.000 1.380 185 T CA -0.947 61.191 62.100 0.065 0.000 1.396 185 T CB 1.550 70.462 68.868 0.072 0.000 1.044 185 T HN -0.051 nan 8.240 nan 0.000 0.586 186 P HA 0.100 nan 4.420 nan 0.000 0.234 186 P C 0.306 177.598 177.300 -0.013 0.000 1.175 186 P CA 0.150 63.243 63.100 -0.013 0.000 0.801 186 P CB 0.495 32.178 31.700 -0.029 0.000 0.891 187 S N -0.828 114.867 115.700 -0.007 0.000 2.671 187 S HA 0.627 5.097 4.470 0.001 0.000 0.277 187 S C -0.744 173.861 174.600 0.009 0.000 1.165 187 S CA -0.918 57.280 58.200 -0.005 0.000 0.822 187 S CB 1.076 64.270 63.200 -0.009 0.000 1.150 187 S HN -0.112 nan 8.310 nan 0.000 0.479 188 I N 1.231 121.805 120.570 0.007 0.000 2.354 188 I HA 0.606 4.777 4.170 0.001 0.000 0.286 188 I C 0.721 176.845 176.117 0.012 0.000 1.007 188 I CA -0.502 60.809 61.300 0.017 0.000 1.167 188 I CB 1.536 39.541 38.000 0.008 0.000 1.320 188 I HN 1.038 nan 8.210 nan 0.000 0.458 189 G N 6.316 115.127 108.800 0.019 0.000 4.213 189 G HA2 0.352 4.312 3.960 0.001 0.000 0.274 189 G HA3 0.352 4.312 3.960 0.001 0.000 0.274 189 G C 0.119 175.022 174.900 0.006 0.000 1.033 189 G CA -0.068 45.035 45.100 0.006 0.000 0.822 189 G HN 0.337 nan 8.290 nan 0.000 0.432 190 L N 0.624 121.864 121.223 0.030 0.000 2.751 190 L HA 0.729 5.069 4.340 0.001 0.000 0.241 190 L C 0.923 177.808 176.870 0.026 0.000 1.146 190 L CA -0.718 54.143 54.840 0.035 0.000 0.879 190 L CB 1.313 43.431 42.059 0.099 0.000 1.687 190 L HN 0.147 nan 8.230 nan 0.000 0.527 191 T N -2.604 111.966 114.554 0.027 0.000 2.916 191 T HA 0.655 5.005 4.350 0.001 0.000 0.292 191 T C 0.252 174.943 174.700 -0.014 0.000 1.055 191 T CA -0.077 62.020 62.100 -0.004 0.000 1.009 191 T CB 1.657 70.509 68.868 -0.028 0.000 1.118 191 T HN 1.023 nan 8.240 nan 0.000 0.497 192 G N 1.525 110.296 108.800 -0.047 0.000 2.614 192 G HA2 -0.090 3.870 3.960 0.001 0.000 0.303 192 G HA3 -0.090 3.870 3.960 0.001 0.000 0.303 192 G C 1.290 176.135 174.900 -0.092 0.000 1.270 192 G CA 1.176 46.234 45.100 -0.071 0.000 0.988 192 G HN 1.841 nan 8.290 nan 0.000 0.551 193 A N -0.571 122.143 122.820 -0.177 0.000 1.892 193 A HA 0.127 4.448 4.320 0.001 0.000 0.218 193 A C 3.111 180.527 177.584 -0.281 0.000 1.188 193 A CA 4.019 55.764 52.037 -0.486 0.000 0.631 193 A CB -1.236 17.375 19.000 -0.647 0.000 0.822 193 A HN 2.348 nan 8.150 nan 0.000 0.447 194 A N -0.706 122.208 122.820 0.156 0.000 1.940 194 A HA -0.206 4.114 4.320 0.001 0.000 0.219 194 A C 2.267 180.041 177.584 0.317 0.000 1.176 194 A CA 1.925 54.274 52.037 0.521 0.000 0.631 194 A CB -0.495 18.824 19.000 0.531 0.000 0.814 194 A HN 0.595 nan 8.150 nan 0.000 0.446 195 R N -0.609 119.972 120.500 0.137 0.000 2.066 195 R HA -0.040 4.300 4.340 0.001 0.000 0.232 195 R C 2.390 178.724 176.300 0.056 0.000 1.131 195 R CA 1.348 57.497 56.100 0.081 0.000 0.955 195 R CB -0.422 29.891 30.300 0.022 0.000 0.851 195 R HN 0.426 nan 8.270 nan 0.000 0.432 196 A N 0.628 123.440 122.820 -0.014 0.000 1.908 196 A HA -0.187 4.133 4.320 0.001 0.000 0.218 196 A C 1.875 179.502 177.584 0.071 0.000 1.181 196 A CA 1.267 53.280 52.037 -0.039 0.000 0.627 196 A CB -0.982 17.941 19.000 -0.128 0.000 0.818 196 A HN 0.547 nan 8.150 nan 0.000 0.445 197 W N 0.071 121.411 121.300 0.067 0.000 2.342 197 W HA -0.152 4.509 4.660 0.000 0.000 0.297 197 W C 2.472 178.978 176.519 -0.022 0.000 1.213 197 W CA 1.279 58.642 57.345 0.030 0.000 1.251 197 W CB -1.018 28.467 29.460 0.041 0.000 1.136 197 W HN 0.545 nan 8.180 nan 0.000 0.526 198 Q N -0.441 119.499 119.800 0.233 0.000 2.084 198 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 198 Q C 2.450 178.483 176.000 0.055 0.000 0.978 198 Q CA 1.910 57.783 55.803 0.117 0.000 0.844 198 Q CB -0.398 28.408 28.738 0.113 0.000 0.898 198 Q HN 0.139 nan 8.270 nan 0.000 0.426 199 A N 0.643 123.490 122.820 0.046 0.000 1.877 199 A HA -0.195 4.126 4.320 0.001 0.000 0.216 199 A C 1.952 179.522 177.584 -0.024 0.000 1.186 199 A CA 1.258 53.293 52.037 -0.003 0.000 0.620 199 A CB -0.530 18.458 19.000 -0.021 0.000 0.822 199 A HN 0.384 nan 8.150 nan 0.000 0.443 200 I N -0.486 120.092 120.570 0.012 0.000 2.493 200 I HA -0.118 4.053 4.170 0.001 0.000 0.254 200 I C 2.177 178.238 176.117 -0.093 0.000 1.160 200 I CA 0.896 62.173 61.300 -0.037 0.000 1.445 200 I CB -0.030 38.012 38.000 0.070 0.000 1.086 200 I HN 0.107 nan 8.210 nan 0.000 0.433 201 V N -0.658 119.231 119.914 -0.043 0.000 2.283 201 V HA -0.209 3.911 4.120 0.001 0.000 0.243 201 V C 2.430 178.475 176.094 -0.082 0.000 1.039 201 V CA 1.667 63.926 62.300 -0.069 0.000 1.016 201 V CB -0.455 31.339 31.823 -0.048 0.000 0.650 201 V HN 0.233 nan 8.190 nan 0.000 0.449 202 V N 0.887 120.763 119.914 -0.064 0.000 2.358 202 V HA -0.156 3.965 4.120 0.001 0.000 0.246 202 V C 2.596 178.617 176.094 -0.121 0.000 1.047 202 V CA 2.182 64.439 62.300 -0.073 0.000 1.035 202 V CB -1.334 30.458 31.823 -0.051 0.000 0.658 202 V HN 0.610 nan 8.190 nan 0.000 0.452 203 G N -0.189 108.524 108.800 -0.145 0.000 2.414 203 G HA2 -0.190 3.770 3.960 0.001 0.000 0.215 203 G HA3 -0.190 3.770 3.960 0.001 0.000 0.215 203 G C 1.675 176.415 174.900 -0.265 0.000 1.188 203 G CA 1.213 46.193 45.100 -0.199 0.000 0.783 203 G HN 0.368 nan 8.290 nan 0.000 0.537 204 V N 1.014 120.723 119.914 -0.342 0.000 2.343 204 V HA -0.173 3.947 4.120 0.001 0.000 0.247 204 V C 2.774 178.710 176.094 -0.263 0.000 1.051 204 V CA 2.176 64.209 62.300 -0.445 0.000 1.036 204 V CB -0.534 30.921 31.823 -0.614 0.000 0.654 204 V HN 0.444 nan 8.190 nan 0.000 0.451 205 R N 0.671 121.062 120.500 -0.181 0.000 2.081 205 R HA -0.169 4.171 4.340 0.001 0.000 0.235 205 R C 2.283 178.500 176.300 -0.137 0.000 1.131 205 R CA 1.764 57.797 56.100 -0.112 0.000 0.960 205 R CB -0.522 29.738 30.300 -0.067 0.000 0.856 205 R HN 0.450 nan 8.270 nan 0.000 0.436 206 A N 0.415 123.134 122.820 -0.167 0.000 1.978 206 A HA -0.112 4.208 4.320 0.001 0.000 0.220 206 A C 2.234 179.668 177.584 -0.250 0.000 1.170 206 A CA 1.679 53.593 52.037 -0.205 0.000 0.636 206 A CB -0.418 18.455 19.000 -0.212 0.000 0.810 206 A HN 0.263 nan 8.150 nan 0.000 0.448 207 V N -0.022 119.773 119.914 -0.198 0.000 2.323 207 V HA -0.209 3.911 4.120 0.001 0.000 0.244 207 V C 2.398 178.405 176.094 -0.147 0.000 1.041 207 V CA 1.798 64.029 62.300 -0.115 0.000 1.025 207 V CB -0.583 31.172 31.823 -0.113 0.000 0.656 207 V HN 0.579 nan 8.190 nan 0.000 0.451 208 I N 0.943 121.438 120.570 -0.124 0.000 2.163 208 I HA -0.198 3.972 4.170 0.001 0.000 0.243 208 I C 2.248 178.348 176.117 -0.027 0.000 1.085 208 I CA 2.029 63.308 61.300 -0.034 0.000 1.347 208 I CB -0.431 37.592 38.000 0.038 0.000 1.044 208 I HN 0.379 nan 8.210 nan 0.000 0.408 209 V N -2.424 117.419 119.914 -0.118 0.000 3.541 209 V HA 0.115 4.236 4.120 0.001 0.000 0.267 209 V C 0.831 176.730 176.094 -0.325 0.000 1.213 209 V CA -0.085 62.127 62.300 -0.148 0.000 1.149 209 V CB -0.798 30.954 31.823 -0.119 0.000 0.822 209 V HN 0.483 nan 8.190 nan 0.000 0.462 210 K N 0.993 121.044 120.400 -0.581 0.000 3.181 210 K HA -0.168 4.152 4.320 0.001 0.000 0.269 210 K C -0.323 175.617 176.600 -1.101 0.000 1.097 210 K CA 1.036 56.476 56.287 -1.412 0.000 0.783 210 K CB -1.634 30.149 32.500 -1.196 0.000 1.267 210 K HN 0.692 nan 8.250 nan 0.000 0.484 211 D N 0.392 120.439 120.400 -0.589 0.000 2.467 211 D HA 0.370 5.010 4.640 0.001 0.000 0.220 211 D C 1.028 177.266 176.300 -0.104 0.000 1.103 211 D CA 0.344 54.194 54.000 -0.250 0.000 0.886 211 D CB 1.060 41.759 40.800 -0.168 0.000 1.025 211 D HN 0.305 nan 8.370 nan 0.000 0.514 212 A N 3.360 126.275 122.820 0.158 0.000 2.019 212 A HA -0.109 4.211 4.320 0.001 0.000 0.219 212 A C 2.119 179.765 177.584 0.104 0.000 1.164 212 A CA 1.006 53.193 52.037 0.249 0.000 0.644 212 A CB -0.099 19.275 19.000 0.623 0.000 0.805 212 A HN 0.492 nan 8.150 nan 0.000 0.449 213 V N 0.256 120.216 119.914 0.077 0.000 2.270 213 V HA -0.209 3.912 4.120 0.001 0.000 0.245 213 V C 2.451 178.540 176.094 -0.008 0.000 1.043 213 V CA 2.045 64.378 62.300 0.055 0.000 1.014 213 V CB -0.538 31.308 31.823 0.039 0.000 0.645 213 V HN 0.449 nan 8.190 nan 0.000 0.447 214 K N -0.270 120.098 120.400 -0.054 0.000 2.148 214 K HA -0.098 4.222 4.320 0.001 0.000 0.204 214 K C 2.044 178.566 176.600 -0.130 0.000 1.050 214 K CA 1.026 57.265 56.287 -0.080 0.000 0.942 214 K CB -0.445 32.000 32.500 -0.092 0.000 0.724 214 K HN 0.286 nan 8.250 nan 0.000 0.446 215 L N 0.942 122.029 121.223 -0.227 0.000 2.217 215 L HA -0.004 4.336 4.340 0.001 0.000 0.211 215 L C 2.088 178.789 176.870 -0.283 0.000 1.107 215 L CA 1.303 55.916 54.840 -0.377 0.000 0.783 215 L CB -0.525 41.068 42.059 -0.776 0.000 0.919 215 L HN 0.064 nan 8.230 nan 0.000 0.442 216 A N -0.728 122.012 122.820 -0.133 0.000 1.929 216 A HA 0.020 4.341 4.320 0.001 0.000 0.216 216 A C 2.418 180.031 177.584 0.048 0.000 1.176 216 A CA 1.312 53.406 52.037 0.094 0.000 0.628 216 A CB -0.886 18.230 19.000 0.194 0.000 0.816 216 A HN 0.471 nan 8.150 nan 0.000 0.444 217 A N -0.123 122.699 122.820 0.003 0.000 1.969 217 A HA 0.222 4.542 4.320 0.001 0.000 0.218 217 A C 2.435 180.010 177.584 -0.015 0.000 1.169 217 A CA 1.835 53.872 52.037 0.000 0.000 0.635 217 A CB -0.816 18.177 19.000 -0.010 0.000 0.810 217 A HN 0.926 nan 8.150 nan 0.000 0.445 218 A N -0.158 122.637 122.820 -0.042 0.000 1.873 218 A HA -0.137 4.183 4.320 0.001 0.000 0.215 218 A C 2.283 179.849 177.584 -0.030 0.000 1.186 218 A CA 1.549 53.556 52.037 -0.051 0.000 0.616 218 A CB -0.543 18.403 19.000 -0.090 0.000 0.823 218 A HN 0.484 nan 8.150 nan 0.000 0.442 219 R N 0.491 120.989 120.500 -0.003 0.000 2.080 219 R HA -0.173 4.167 4.340 0.001 0.000 0.236 219 R C 1.635 177.962 176.300 0.044 0.000 1.137 219 R CA 2.155 58.281 56.100 0.045 0.000 0.943 219 R CB -0.760 29.609 30.300 0.116 0.000 0.846 219 R HN 0.730 nan 8.270 nan 0.000 0.431 220 N N -0.714 118.014 118.700 0.046 0.000 2.381 220 N HA -0.091 4.649 4.740 0.001 0.000 0.182 220 N C 1.700 177.213 175.510 0.006 0.000 1.025 220 N CA 0.553 53.630 53.050 0.045 0.000 0.888 220 N CB -0.188 38.328 38.487 0.047 0.000 0.965 220 N HN 0.385 nan 8.380 nan 0.000 0.438 221 G N 1.356 110.142 108.800 -0.023 0.000 2.448 221 G HA2 -0.177 3.783 3.960 0.001 0.000 0.219 221 G HA3 -0.177 3.783 3.960 0.001 0.000 0.219 221 G C 1.406 176.236 174.900 -0.116 0.000 1.127 221 G CA 0.290 45.361 45.100 -0.048 0.000 0.766 221 G HN 0.198 nan 8.290 nan 0.000 0.552 222 L N 0.953 122.047 121.223 -0.215 0.000 2.275 222 L HA -0.024 4.317 4.340 0.001 0.000 0.215 222 L C 2.658 179.184 176.870 -0.573 0.000 1.119 222 L CA 0.734 55.232 54.840 -0.571 0.000 0.790 222 L CB -0.111 41.385 42.059 -0.938 0.000 0.919 222 L HN 0.137 nan 8.230 nan 0.000 0.443 223 S N -0.304 115.327 115.700 -0.115 0.000 2.562 223 S HA 0.073 4.543 4.470 0.001 0.000 0.221 223 S C 1.184 175.817 174.600 0.055 0.000 0.975 223 S CA 0.299 58.571 58.200 0.119 0.000 0.918 223 S CB -0.132 63.159 63.200 0.151 0.000 0.772 223 S HN 0.502 nan 8.310 nan 0.000 0.531 224 G N 1.330 110.124 108.800 -0.010 0.000 2.616 224 G HA2 0.335 4.295 3.960 0.001 0.000 0.268 224 G HA3 0.335 4.295 3.960 0.001 0.000 0.268 224 G C -0.244 174.662 174.900 0.010 0.000 1.213 224 G CA -0.504 44.597 45.100 0.001 0.000 0.926 224 G HN 0.198 nan 8.290 nan 0.000 0.523 225 T N 0.118 114.675 114.554 0.005 0.000 2.905 225 T HA 0.357 4.708 4.350 0.001 0.000 0.299 225 T C 1.518 176.210 174.700 -0.014 0.000 1.024 225 T CA 1.680 63.777 62.100 -0.004 0.000 1.151 225 T CB 0.501 69.359 68.868 -0.017 0.000 0.987 225 T HN 1.831 nan 8.240 nan 0.000 0.535 226 G N 2.370 111.159 108.800 -0.018 0.000 2.175 226 G HA2 -0.205 3.755 3.960 0.001 0.000 0.244 226 G HA3 -0.205 3.755 3.960 0.001 0.000 0.244 226 G C 0.384 175.311 174.900 0.045 0.000 0.982 226 G CA 0.279 45.351 45.100 -0.047 0.000 0.641 226 G HN 0.662 nan 8.290 nan 0.000 0.527 227 I N -1.718 118.924 120.570 0.121 0.000 4.640 227 I HA 0.431 4.601 4.170 0.001 0.000 0.246 227 I C 1.877 178.314 176.117 0.532 0.000 0.683 227 I CA -0.636 60.812 61.300 0.247 0.000 2.740 227 I CB -0.514 37.477 38.000 -0.016 0.000 1.472 227 I HN -0.141 nan 8.210 nan 0.000 0.518 228 F N 2.493 122.599 119.950 0.260 0.000 2.095 228 F HA -0.040 4.487 4.527 0.000 0.000 0.298 228 F C -1.243 174.561 175.800 0.006 0.000 1.104 228 F CA 0.491 58.547 58.000 0.094 0.000 1.232 228 F CB -2.332 36.630 39.000 -0.062 0.000 0.987 228 F HN 0.048 nan 8.300 nan 0.000 0.475 229 P HA -0.029 nan 4.420 nan 0.000 0.276 229 P C -0.934 176.427 177.300 0.102 0.000 1.230 229 P CA 0.021 63.169 63.100 0.080 0.000 0.776 229 P CB 0.149 31.901 31.700 0.087 0.000 0.888 230 Y N 1.286 121.666 120.300 0.133 0.000 2.526 230 Y HA 0.197 4.747 4.550 0.001 0.000 0.330 230 Y C 1.434 177.280 175.900 -0.089 0.000 1.156 230 Y CA -0.618 57.527 58.100 0.075 0.000 1.419 230 Y CB 0.508 39.016 38.460 0.081 0.000 1.250 230 Y HN 0.429 nan 8.280 nan 0.000 0.540 231 A N 2.043 124.800 122.820 -0.106 0.000 2.304 231 A HA 0.395 4.716 4.320 0.001 0.000 0.301 231 A C 0.837 178.019 177.584 -0.670 0.000 1.132 231 A CA -0.085 51.698 52.037 -0.424 0.000 0.819 231 A CB 0.389 19.015 19.000 -0.623 0.000 1.094 231 A HN 0.852 nan 8.150 nan 0.000 0.492 232 T N -1.359 112.982 114.554 -0.355 0.000 3.003 232 T HA 0.524 4.875 4.350 0.001 0.000 0.261 232 T C 0.588 175.325 174.700 0.061 0.000 1.003 232 T CA 0.461 62.493 62.100 -0.112 0.000 0.917 232 T CB 0.143 69.007 68.868 -0.008 0.000 1.084 232 T HN 1.615 nan 8.240 nan 0.000 0.522 233 G N -0.982 107.795 108.800 -0.040 0.000 2.673 233 G HA2 0.603 4.563 3.960 0.001 0.000 0.292 233 G HA3 0.603 4.563 3.960 0.001 0.000 0.292 233 G C 0.052 174.976 174.900 0.039 0.000 1.450 233 G CA 0.038 45.200 45.100 0.102 0.000 0.837 233 G HN 0.911 nan 8.290 nan 0.000 0.505 234 G N 0.511 109.364 108.800 0.088 0.000 2.645 234 G HA2 -0.030 3.930 3.960 0.001 0.000 0.246 234 G HA3 -0.030 3.930 3.960 0.001 0.000 0.246 234 G C -0.449 174.449 174.900 -0.003 0.000 1.322 234 G CA 0.186 45.300 45.100 0.023 0.000 0.898 234 G HN 0.943 nan 8.290 nan 0.000 0.573 235 D N 1.291 121.637 120.400 -0.090 0.000 2.372 235 D HA 0.578 5.219 4.640 0.001 0.000 0.243 235 D C 0.905 177.010 176.300 -0.325 0.000 1.121 235 D CA 1.937 55.805 54.000 -0.221 0.000 0.898 235 D CB 0.995 41.674 40.800 -0.201 0.000 1.202 235 D HN 1.772 nan 8.370 nan 0.000 0.428 236 G N -0.110 108.324 108.800 -0.611 0.000 2.347 236 G HA2 0.058 4.019 3.960 0.001 0.000 0.341 236 G HA3 0.058 4.019 3.960 0.001 0.000 0.341 236 G C -1.396 173.152 174.900 -0.588 0.000 1.287 236 G CA -1.143 43.620 45.100 -0.561 0.000 0.984 236 G HN 0.225 nan 8.290 nan 0.000 0.526 237 F N 0.333 120.221 119.950 -0.103 0.000 2.396 237 F HA 0.694 5.221 4.527 0.001 0.000 0.343 237 F C 0.437 176.398 175.800 0.268 0.000 1.104 237 F CA -0.060 58.027 58.000 0.145 0.000 1.161 237 F CB 1.049 40.060 39.000 0.018 0.000 1.146 237 F HN 0.408 nan 8.300 nan 0.000 0.522 238 Y N 0.609 121.107 120.300 0.330 0.000 2.488 238 Y HA 0.490 5.040 4.550 0.001 0.000 0.325 238 Y C 1.098 176.964 175.900 -0.056 0.000 1.204 238 Y CA -0.804 57.390 58.100 0.157 0.000 1.229 238 Y CB 1.169 39.665 38.460 0.060 0.000 1.274 238 Y HN 0.637 nan 8.280 nan 0.000 0.493 239 A N 0.441 123.106 122.820 -0.259 0.000 1.933 239 A HA -0.200 4.121 4.320 0.001 0.000 0.218 239 A C 1.615 179.098 177.584 -0.167 0.000 1.175 239 A CA 1.946 53.625 52.037 -0.597 0.000 0.628 239 A CB -0.810 17.915 19.000 -0.459 0.000 0.814 239 A HN 0.859 nan 8.150 nan 0.000 0.444 240 D N -2.014 118.381 120.400 -0.010 0.000 2.378 240 D HA 0.221 4.861 4.640 0.001 0.000 0.227 240 D C 1.199 177.543 176.300 0.074 0.000 1.012 240 D CA 1.287 55.287 54.000 -0.000 0.000 0.905 240 D CB -0.480 40.312 40.800 -0.013 0.000 0.895 240 D HN 0.818 nan 8.370 nan 0.000 0.532 241 G N -0.879 108.056 108.800 0.225 0.000 2.238 241 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 241 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 241 G C 0.447 175.642 174.900 0.490 0.000 0.996 241 G CA 0.124 45.466 45.100 0.403 0.000 0.632 241 G HN 0.442 nan 8.290 nan 0.000 0.503 242 S N -0.005 115.947 115.700 0.421 0.000 2.589 242 S HA 0.621 5.092 4.470 0.001 0.000 0.265 242 S C -0.504 174.230 174.600 0.224 0.000 1.342 242 S CA 0.396 58.708 58.200 0.186 0.000 1.005 242 S CB 1.312 64.489 63.200 -0.038 0.000 0.909 242 S HN 0.963 nan 8.310 nan 0.000 0.555 243 F N 1.126 121.010 119.950 -0.110 0.000 2.561 243 F HA 0.618 5.145 4.527 0.001 0.000 0.313 243 F C -1.208 174.513 175.800 -0.131 0.000 1.126 243 F CA -0.588 57.284 58.000 -0.213 0.000 0.918 243 F CB 1.085 39.782 39.000 -0.504 0.000 1.199 243 F HN 0.323 nan 8.300 nan 0.000 0.444 244 V N 4.586 124.071 119.914 -0.715 0.000 2.914 244 V HA 0.675 4.795 4.120 0.001 0.000 0.314 244 V C -1.139 174.637 176.094 -0.530 0.000 1.084 244 V CA -0.675 61.418 62.300 -0.345 0.000 0.963 244 V CB 1.969 33.722 31.823 -0.116 0.000 1.025 244 V HN 0.760 nan 8.190 nan 0.000 0.432 245 Q N 0.393 120.162 119.800 -0.052 0.000 2.377 245 Q HA 0.518 4.858 4.340 0.001 0.000 0.279 245 Q C -0.416 175.705 176.000 0.201 0.000 1.049 245 Q CA -0.452 55.296 55.803 -0.092 0.000 0.825 245 Q CB 1.321 29.927 28.738 -0.220 0.000 1.401 245 Q HN 0.840 nan 8.270 nan 0.000 0.404 246 H N 2.115 121.191 119.070 0.009 0.000 2.826 246 H HA -0.248 4.308 4.556 0.001 0.000 0.306 246 H C -0.080 175.342 175.328 0.156 0.000 1.235 246 H CA 0.354 56.489 56.048 0.145 0.000 1.150 246 H CB -1.339 28.630 29.762 0.344 0.000 1.409 246 H HN 0.951 nan 8.280 nan 0.000 0.420 247 T N -2.801 111.837 114.554 0.139 0.000 12.209 247 T HA -0.364 3.986 4.350 0.001 0.000 0.417 247 T C 1.361 176.037 174.700 -0.039 0.000 1.458 247 T CA 2.634 64.754 62.100 0.033 0.000 2.409 247 T CB -1.203 67.670 68.868 0.008 0.000 2.842 247 T HN 0.793 nan 8.240 nan 0.000 0.841 248 T N -0.849 113.614 114.554 -0.153 0.000 3.275 248 T HA 0.611 4.961 4.350 0.001 0.000 0.298 248 T C -0.277 174.110 174.700 -0.522 0.000 0.988 248 T CA -0.631 61.253 62.100 -0.359 0.000 0.936 248 T CB -0.061 68.514 68.868 -0.487 0.000 1.159 248 T HN 0.394 nan 8.240 nan 0.000 0.519 249 F N 1.836 121.824 119.950 0.064 0.000 2.495 249 F HA 0.746 5.273 4.527 0.001 0.000 0.327 249 F C 0.575 176.362 175.800 -0.023 0.000 1.103 249 F CA -1.502 56.505 58.000 0.012 0.000 0.949 249 F CB 1.547 40.575 39.000 0.047 0.000 1.142 249 F HN 0.161 nan 8.300 nan 0.000 0.457 250 A N 2.710 125.566 122.820 0.059 0.000 2.444 250 A HA 0.279 4.599 4.320 0.001 0.000 0.273 250 A C -1.008 176.544 177.584 -0.052 0.000 1.136 250 A CA 0.193 52.220 52.037 -0.017 0.000 0.799 250 A CB -0.418 18.534 19.000 -0.080 0.000 1.081 250 A HN 0.797 nan 8.150 nan 0.000 0.509 251 Y N 1.943 122.333 120.300 0.150 0.000 2.721 251 Y HA 0.123 4.673 4.550 0.001 0.000 0.251 251 Y C 1.825 177.760 175.900 0.060 0.000 1.136 251 Y CA 0.010 58.221 58.100 0.184 0.000 1.142 251 Y CB 0.165 38.827 38.460 0.338 0.000 1.212 251 Y HN 0.737 nan 8.280 nan 0.000 0.565 252 T N -1.617 112.971 114.554 0.057 0.000 2.737 252 T HA -0.193 4.157 4.350 0.001 0.000 0.269 252 T C 2.122 176.699 174.700 -0.206 0.000 1.040 252 T CA 1.842 63.757 62.100 -0.309 0.000 1.142 252 T CB -0.249 68.386 68.868 -0.388 0.000 0.861 252 T HN 0.590 nan 8.240 nan 0.000 0.456 253 G N -0.157 108.592 108.800 -0.084 0.000 2.880 253 G HA2 0.374 4.334 3.960 0.001 0.000 0.209 253 G HA3 0.374 4.334 3.960 0.001 0.000 0.209 253 G C 1.079 175.969 174.900 -0.017 0.000 1.157 253 G CA 0.558 45.644 45.100 -0.023 0.000 0.779 253 G HN 0.583 nan 8.290 nan 0.000 0.539 254 G N -0.012 108.810 108.800 0.037 0.000 2.529 254 G HA2 0.179 4.140 3.960 0.001 0.000 0.220 254 G HA3 0.179 4.140 3.960 0.001 0.000 0.220 254 G C 1.117 175.855 174.900 -0.271 0.000 1.976 254 G CA 0.008 45.071 45.100 -0.063 0.000 0.789 254 G HN 0.136 nan 8.290 nan 0.000 0.695 255 Y N 1.838 121.933 120.300 -0.341 0.000 2.274 255 Y HA 0.018 4.568 4.550 0.001 0.000 0.290 255 Y C 2.955 178.554 175.900 -0.502 0.000 1.145 255 Y CA 1.002 58.863 58.100 -0.397 0.000 1.203 255 Y CB -0.506 37.694 38.460 -0.434 0.000 0.984 255 Y HN 0.272 nan 8.280 nan 0.000 0.533 256 G N -1.062 107.311 108.800 -0.711 0.000 2.421 256 G HA2 -0.251 3.709 3.960 0.001 0.000 0.216 256 G HA3 -0.251 3.709 3.960 0.001 0.000 0.216 256 G C 1.932 176.619 174.900 -0.354 0.000 1.171 256 G CA 1.247 45.545 45.100 -1.336 0.000 0.775 256 G HN 0.368 nan 8.290 nan 0.000 0.543 257 S N 0.942 116.550 115.700 -0.153 0.000 2.370 257 S HA -0.127 4.344 4.470 0.001 0.000 0.226 257 S C 2.755 177.304 174.600 -0.084 0.000 1.033 257 S CA 1.504 59.664 58.200 -0.067 0.000 1.011 257 S CB -0.296 62.883 63.200 -0.034 0.000 0.852 257 S HN 0.391 nan 8.310 nan 0.000 0.457 258 S N 1.156 116.789 115.700 -0.111 0.000 2.368 258 S HA -0.065 4.405 4.470 0.001 0.000 0.225 258 S C 2.043 176.511 174.600 -0.221 0.000 1.030 258 S CA 1.110 59.253 58.200 -0.095 0.000 0.999 258 S CB -0.440 62.688 63.200 -0.119 0.000 0.844 258 S HN 0.339 nan 8.310 nan 0.000 0.459 259 V N 1.919 121.676 119.914 -0.262 0.000 2.343 259 V HA -0.136 3.984 4.120 0.001 0.000 0.247 259 V C 2.251 178.377 176.094 0.052 0.000 1.051 259 V CA 1.516 63.723 62.300 -0.156 0.000 1.036 259 V CB -0.715 31.047 31.823 -0.101 0.000 0.654 259 V HN 0.356 nan 8.190 nan 0.000 0.451 260 L N 0.571 121.839 121.223 0.076 0.000 1.994 260 L HA -0.181 4.159 4.340 0.001 0.000 0.208 260 L C 2.507 179.441 176.870 0.107 0.000 1.071 260 L CA 2.490 57.424 54.840 0.156 0.000 0.745 260 L CB -0.857 41.166 42.059 -0.059 0.000 0.892 260 L HN 0.494 nan 8.230 nan 0.000 0.431 261 E N -1.304 118.923 120.200 0.046 0.000 2.058 261 E HA -0.240 4.110 4.350 0.001 0.000 0.194 261 E C 1.830 178.517 176.600 0.145 0.000 0.997 261 E CA 2.017 58.467 56.400 0.082 0.000 0.801 261 E CB -0.137 29.615 29.700 0.085 0.000 0.746 261 E HN 0.601 nan 8.360 nan 0.000 0.450 262 T N -0.028 114.605 114.554 0.132 0.000 2.777 262 T HA -0.100 4.250 4.350 0.001 0.000 0.266 262 T C 1.911 176.710 174.700 0.165 0.000 1.040 262 T CA 1.650 63.849 62.100 0.164 0.000 1.141 262 T CB -0.450 68.462 68.868 0.073 0.000 0.868 262 T HN 0.217 nan 8.240 nan 0.000 0.444 263 T N 1.940 116.587 114.554 0.156 0.000 2.788 263 T HA 0.013 4.363 4.350 0.001 0.000 0.268 263 T C 2.391 177.238 174.700 0.245 0.000 1.044 263 T CA 1.108 63.317 62.100 0.182 0.000 1.139 263 T CB -0.478 68.560 68.868 0.284 0.000 0.867 263 T HN 0.420 nan 8.240 nan 0.000 0.454 264 A N 2.315 125.294 122.820 0.264 0.000 1.873 264 A HA -0.133 4.187 4.320 0.001 0.000 0.215 264 A C 2.270 180.067 177.584 0.355 0.000 1.186 264 A CA 1.458 53.699 52.037 0.339 0.000 0.616 264 A CB -0.603 18.537 19.000 0.234 0.000 0.823 264 A HN 0.364 nan 8.150 nan 0.000 0.442 265 N N -0.217 118.662 118.700 0.297 0.000 2.120 265 N HA -0.125 4.616 4.740 0.001 0.000 0.188 265 N C 1.573 177.344 175.510 0.435 0.000 1.024 265 N CA 1.422 54.695 53.050 0.372 0.000 0.852 265 N CB -0.565 38.164 38.487 0.404 0.000 1.003 265 N HN 0.383 nan 8.380 nan 0.000 0.424 266 L N 1.014 122.414 121.223 0.294 0.000 2.027 266 L HA 0.038 4.378 4.340 0.001 0.000 0.206 266 L C 2.115 179.035 176.870 0.083 0.000 1.074 266 L CA 1.399 56.341 54.840 0.170 0.000 0.745 266 L CB -0.627 41.482 42.059 0.083 0.000 0.898 266 L HN 0.126 nan 8.230 nan 0.000 0.433 267 M N -2.003 117.634 119.600 0.062 0.000 2.080 267 M HA -0.274 4.206 4.480 0.001 0.000 0.260 267 M C 2.329 178.294 176.300 -0.558 0.000 1.068 267 M CA 2.249 57.465 55.300 -0.141 0.000 1.109 267 M CB -0.748 31.870 32.600 0.030 0.000 1.342 267 M HN 0.385 nan 8.290 nan 0.000 0.405 268 Y N 1.135 121.086 120.300 -0.582 0.000 2.181 268 Y HA -0.281 4.270 4.550 0.001 0.000 0.288 268 Y C 2.131 177.938 175.900 -0.155 0.000 1.146 268 Y CA 1.556 59.347 58.100 -0.514 0.000 1.164 268 Y CB -0.263 38.218 38.460 0.036 0.000 0.982 268 Y HN 0.104 nan 8.280 nan 0.000 0.515 269 L N 0.561 121.737 121.223 -0.079 0.000 1.989 269 L HA -0.225 4.115 4.340 0.001 0.000 0.211 269 L C 2.031 178.820 176.870 -0.135 0.000 1.071 269 L CA 2.020 56.842 54.840 -0.029 0.000 0.749 269 L CB -0.880 41.320 42.059 0.236 0.000 0.890 269 L HN 0.386 nan 8.230 nan 0.000 0.431 270 L N -1.035 120.131 121.223 -0.096 0.000 2.395 270 L HA 0.001 4.342 4.340 0.001 0.000 0.218 270 L C 1.367 178.186 176.870 -0.085 0.000 1.130 270 L CA 0.245 55.069 54.840 -0.026 0.000 0.826 270 L CB -0.645 41.438 42.059 0.038 0.000 0.941 270 L HN 0.201 nan 8.230 nan 0.000 0.451 271 S N 0.429 115.989 115.700 -0.232 0.000 2.596 271 S HA 0.224 4.695 4.470 0.001 0.000 0.298 271 S C 1.287 175.817 174.600 -0.117 0.000 1.255 271 S CA 0.741 58.823 58.200 -0.196 0.000 1.083 271 S CB 0.145 63.152 63.200 -0.322 0.000 0.837 271 S HN 0.648 nan 8.310 nan 0.000 0.499 272 G N 3.224 111.992 108.800 -0.054 0.000 2.217 272 G HA2 -0.279 3.681 3.960 0.001 0.000 0.246 272 G HA3 -0.279 3.681 3.960 0.001 0.000 0.246 272 G C 0.300 175.158 174.900 -0.070 0.000 0.990 272 G CA 0.496 45.567 45.100 -0.048 0.000 0.627 272 G HN 1.606 nan 8.290 nan 0.000 0.522 273 S N -0.877 114.784 115.700 -0.065 0.000 2.713 273 S HA 0.630 5.100 4.470 0.001 0.000 0.277 273 S C 1.325 175.789 174.600 -0.228 0.000 1.168 273 S CA 0.862 59.003 58.200 -0.098 0.000 0.994 273 S CB 1.363 64.601 63.200 0.064 0.000 1.054 273 S HN 0.405 nan 8.310 nan 0.000 0.555 274 T N 0.531 114.755 114.554 -0.550 0.000 2.977 274 T HA -0.007 4.344 4.350 0.001 0.000 0.271 274 T C 0.286 174.514 174.700 -0.786 0.000 1.105 274 T CA 1.047 62.645 62.100 -0.837 0.000 1.116 274 T CB -0.364 67.654 68.868 -1.417 0.000 0.878 274 T HN 0.664 nan 8.240 nan 0.000 0.509 275 W N 1.339 122.596 121.300 -0.072 0.000 2.991 275 W HA 0.469 5.129 4.660 0.000 0.000 0.391 275 W C 0.842 177.338 176.519 -0.038 0.000 1.054 275 W CA -1.074 56.243 57.345 -0.046 0.000 1.856 275 W CB -0.476 28.959 29.460 -0.042 0.000 1.132 275 W HN 0.076 nan 8.180 nan 0.000 0.601 276 S N 1.496 117.241 115.700 0.076 0.000 2.563 276 S HA 0.096 4.567 4.470 0.001 0.000 0.294 276 S C 0.536 175.175 174.600 0.065 0.000 1.279 276 S CA 0.008 58.234 58.200 0.043 0.000 1.069 276 S CB 0.673 63.870 63.200 -0.004 0.000 0.828 276 S HN -0.028 nan 8.310 nan 0.000 0.497 277 V N 5.981 125.943 119.914 0.079 0.000 2.539 277 V HA 0.021 4.142 4.120 0.001 0.000 0.300 277 V C 1.434 177.572 176.094 0.072 0.000 1.019 277 V CA 1.145 63.515 62.300 0.115 0.000 1.160 277 V CB 0.588 32.522 31.823 0.185 0.000 0.901 277 V HN 1.057 nan 8.190 nan 0.000 0.481 278 S N 1.803 117.540 115.700 0.061 0.000 2.540 278 S HA 0.068 4.538 4.470 0.001 0.000 0.222 278 S C 0.552 175.150 174.600 -0.004 0.000 1.008 278 S CA -0.300 57.915 58.200 0.024 0.000 0.939 278 S CB 0.052 63.265 63.200 0.021 0.000 0.865 278 S HN 0.755 nan 8.310 nan 0.000 0.499 279 D N 3.721 124.126 120.400 0.008 0.000 2.472 279 D HA 0.148 4.789 4.640 0.001 0.000 0.248 279 D C -1.670 174.528 176.300 -0.169 0.000 1.174 279 D CA -1.427 52.553 54.000 -0.033 0.000 0.883 279 D CB 1.358 42.201 40.800 0.072 0.000 1.149 279 D HN 0.072 nan 8.370 nan 0.000 0.488 280 P HA -0.099 nan 4.420 nan 0.000 0.219 280 P C 0.759 177.899 177.300 -0.266 0.000 1.146 280 P CA 0.690 63.700 63.100 -0.151 0.000 0.808 280 P CB 0.254 31.907 31.700 -0.078 0.000 0.779 281 N N -0.131 118.389 118.700 -0.300 0.000 2.573 281 N HA -0.131 4.610 4.740 0.001 0.000 0.187 281 N C 1.705 176.722 175.510 -0.821 0.000 1.107 281 N CA 0.632 53.442 53.050 -0.400 0.000 0.918 281 N CB -0.481 37.879 38.487 -0.211 0.000 0.966 281 N HN 0.483 nan 8.380 nan 0.000 0.448 282 Q N 0.478 119.600 119.800 -1.130 0.000 2.226 282 Q HA -0.101 4.239 4.340 0.001 0.000 0.204 282 Q C 1.549 176.714 176.000 -1.391 0.000 0.975 282 Q CA 1.617 56.394 55.803 -1.709 0.000 0.866 282 Q CB -0.349 27.660 28.738 -1.214 0.000 0.915 282 Q HN 0.309 nan 8.270 nan 0.000 0.440 283 S N 0.340 115.455 115.700 -0.974 0.000 2.469 283 S HA -0.137 4.333 4.470 0.001 0.000 0.238 283 S C 1.322 175.284 174.600 -1.064 0.000 0.998 283 S CA 1.084 58.671 58.200 -1.021 0.000 0.957 283 S CB -0.534 62.478 63.200 -0.312 0.000 0.764 283 S HN 0.550 nan 8.310 nan 0.000 0.514 284 N N 1.049 119.193 118.700 -0.927 0.000 2.223 284 N HA -0.049 4.692 4.740 0.001 0.000 0.185 284 N C 1.440 176.208 175.510 -1.236 0.000 1.016 284 N CA 1.115 53.681 53.050 -0.806 0.000 0.863 284 N CB -0.359 37.634 38.487 -0.822 0.000 0.983 284 N HN 0.247 nan 8.380 nan 0.000 0.429 285 V N 0.448 119.304 119.914 -1.763 0.000 2.380 285 V HA -0.251 3.869 4.120 0.001 0.000 0.251 285 V C 1.568 177.091 176.094 -0.951 0.000 1.063 285 V CA 1.632 62.744 62.300 -1.981 0.000 1.055 285 V CB -0.733 30.099 31.823 -1.653 0.000 0.657 285 V HN 0.485 nan 8.190 nan 0.000 0.455 286 W N -0.693 120.258 121.300 -0.582 0.000 2.358 286 W HA -0.157 4.503 4.660 0.000 0.000 0.303 286 W C 2.659 178.868 176.519 -0.517 0.000 1.208 286 W CA 0.222 57.291 57.345 -0.460 0.000 1.274 286 W CB -0.503 28.555 29.460 -0.669 0.000 1.138 286 W HN 0.145 nan 8.180 nan 0.000 0.515 287 Q N -0.115 119.625 119.800 -0.099 0.000 2.170 287 Q HA -0.175 4.166 4.340 0.001 0.000 0.203 287 Q C 1.823 177.963 176.000 0.234 0.000 0.976 287 Q CA 1.296 57.183 55.803 0.141 0.000 0.858 287 Q CB -0.981 27.912 28.738 0.259 0.000 0.907 287 Q HN 0.469 nan 8.270 nan 0.000 0.433 288 W N 0.890 122.140 121.300 -0.083 0.000 2.335 288 W HA -0.148 4.513 4.660 0.001 0.000 0.311 288 W C 2.044 178.639 176.519 0.127 0.000 1.213 288 W CA 0.218 57.499 57.345 -0.107 0.000 1.274 288 W CB -0.959 28.240 29.460 -0.435 0.000 1.148 288 W HN 0.105 nan 8.180 nan 0.000 0.498 289 I N -0.777 119.935 120.570 0.237 0.000 2.113 289 I HA -0.308 3.863 4.170 0.001 0.000 0.238 289 I C 2.221 178.501 176.117 0.272 0.000 1.070 289 I CA 1.446 62.843 61.300 0.162 0.000 1.332 289 I CB -1.893 36.007 38.000 -0.166 0.000 1.044 289 I HN 0.089 nan 8.210 nan 0.000 0.402 290 Y N 0.884 121.372 120.300 0.314 0.000 2.200 290 Y HA -0.165 4.386 4.550 0.001 0.000 0.290 290 Y C 2.632 178.658 175.900 0.210 0.000 1.137 290 Y CA 0.598 58.846 58.100 0.246 0.000 1.163 290 Y CB -0.101 38.498 38.460 0.232 0.000 0.988 290 Y HN 0.217 nan 8.280 nan 0.000 0.518 291 E N -0.449 119.980 120.200 0.381 0.000 2.201 291 E HA 0.077 4.427 4.350 0.001 0.000 0.193 291 E C 2.165 178.954 176.600 0.315 0.000 0.957 291 E CA 0.799 57.378 56.400 0.298 0.000 0.858 291 E CB -0.175 29.691 29.700 0.275 0.000 0.816 291 E HN 0.366 nan 8.360 nan 0.000 0.475 292 A N -0.071 122.917 122.820 0.280 0.000 1.943 292 A HA 0.017 4.338 4.320 0.001 0.000 0.213 292 A C 1.655 179.116 177.584 -0.205 0.000 1.181 292 A CA 0.661 52.756 52.037 0.097 0.000 0.653 292 A CB -0.302 18.742 19.000 0.073 0.000 0.833 292 A HN 0.153 nan 8.150 nan 0.000 0.451 293 Y N -1.243 119.155 120.300 0.164 0.000 2.422 293 Y HA 0.159 4.710 4.550 0.001 0.000 0.291 293 Y C 2.446 178.394 175.900 0.080 0.000 1.144 293 Y CA 0.840 58.992 58.100 0.086 0.000 1.208 293 Y CB -0.184 38.313 38.460 0.061 0.000 1.195 293 Y HN 0.167 nan 8.280 nan 0.000 0.535 294 R N 0.625 121.286 120.500 0.268 0.000 2.094 294 R HA -0.172 4.169 4.340 0.001 0.000 0.239 294 R C -0.977 175.403 176.300 0.134 0.000 1.137 294 R CA 2.207 58.422 56.100 0.193 0.000 0.943 294 R CB -1.322 29.112 30.300 0.224 0.000 0.850 294 R HN 0.200 nan 8.270 nan 0.000 0.433 295 P HA -0.088 nan 4.420 nan 0.000 0.225 295 P C 0.371 177.720 177.300 0.082 0.000 1.148 295 P CA 1.129 64.302 63.100 0.122 0.000 0.779 295 P CB 0.112 31.918 31.700 0.177 0.000 0.780 296 L N -2.019 119.230 121.223 0.044 0.000 2.700 296 L HA 0.207 4.547 4.340 0.001 0.000 0.234 296 L C 0.479 177.299 176.870 -0.083 0.000 1.156 296 L CA -0.122 54.684 54.840 -0.056 0.000 0.946 296 L CB -0.089 41.885 42.059 -0.143 0.000 1.216 296 L HN -0.048 nan 8.230 nan 0.000 0.493 297 L N -0.468 120.740 121.223 -0.024 0.000 2.329 297 L HA 0.387 4.727 4.340 0.001 0.000 0.279 297 L C -1.222 175.634 176.870 -0.023 0.000 1.014 297 L CA -0.639 54.175 54.840 -0.043 0.000 0.814 297 L CB 1.904 43.965 42.059 0.005 0.000 1.257 297 L HN -0.074 nan 8.230 nan 0.000 0.424 298 Y N 3.472 123.651 120.300 -0.203 0.000 2.344 298 Y HA 0.218 4.768 4.550 0.001 0.000 0.328 298 Y C -0.159 175.712 175.900 -0.048 0.000 1.067 298 Y CA -1.024 56.995 58.100 -0.136 0.000 1.247 298 Y CB 0.760 39.090 38.460 -0.216 0.000 1.113 298 Y HN 0.538 nan 8.280 nan 0.000 0.465 299 K N 4.462 124.621 120.400 -0.402 0.000 3.071 299 K HA -0.260 4.061 4.320 0.001 0.000 0.262 299 K C 0.894 177.543 176.600 0.081 0.000 0.977 299 K CA 1.134 57.321 56.287 -0.168 0.000 0.721 299 K CB -1.602 30.805 32.500 -0.155 0.000 1.293 299 K HN 1.313 nan 8.250 nan 0.000 0.475 300 G N -1.662 107.145 108.800 0.011 0.000 2.194 300 G HA2 -0.258 3.702 3.960 0.001 0.000 0.236 300 G HA3 -0.258 3.702 3.960 0.001 0.000 0.236 300 G C 0.110 174.876 174.900 -0.223 0.000 0.987 300 G CA 0.167 45.320 45.100 0.090 0.000 0.635 300 G HN 0.900 nan 8.290 nan 0.000 0.520 301 A N -0.070 122.462 122.820 -0.479 0.000 2.301 301 A HA 0.843 5.164 4.320 0.001 0.000 0.312 301 A C -0.014 177.414 177.584 -0.261 0.000 1.182 301 A CA 0.005 51.699 52.037 -0.572 0.000 0.826 301 A CB 1.012 19.636 19.000 -0.627 0.000 1.134 301 A HN 1.075 nan 8.150 nan 0.000 0.501 302 M N 4.142 123.636 119.600 -0.177 0.000 2.069 302 M HA 0.390 4.870 4.480 0.001 0.000 0.349 302 M C -0.211 176.000 176.300 -0.149 0.000 1.194 302 M CA -0.297 54.931 55.300 -0.119 0.000 1.081 302 M CB -0.211 32.360 32.600 -0.048 0.000 1.500 302 M HN 0.717 nan 8.290 nan 0.000 0.438 303 M N 4.387 123.847 119.600 -0.232 0.000 2.301 303 M HA -0.139 4.342 4.480 0.001 0.000 0.404 303 M C 0.595 176.762 176.300 -0.221 0.000 1.497 303 M CA 0.431 55.585 55.300 -0.242 0.000 0.867 303 M CB 0.046 32.466 32.600 -0.298 0.000 2.037 303 M HN 0.623 nan 8.290 nan 0.000 0.496 304 D N 3.583 123.847 120.400 -0.227 0.000 2.182 304 D HA -0.177 4.464 4.640 0.001 0.000 0.201 304 D C 1.887 177.945 176.300 -0.404 0.000 0.986 304 D CA 1.610 55.452 54.000 -0.264 0.000 0.847 304 D CB -0.160 40.573 40.800 -0.113 0.000 0.942 304 D HN 0.752 nan 8.370 nan 0.000 0.467 305 M N -0.185 119.067 119.600 -0.581 0.000 2.435 305 M HA -0.098 4.382 4.480 0.001 0.000 0.262 305 M C 1.428 177.553 176.300 -0.292 0.000 1.065 305 M CA 1.211 56.242 55.300 -0.449 0.000 1.076 305 M CB -0.244 32.108 32.600 -0.414 0.000 1.403 305 M HN -0.067 nan 8.290 nan 0.000 0.454 306 V N -2.845 116.900 119.914 -0.282 0.000 3.176 306 V HA 0.328 4.449 4.120 0.001 0.000 0.332 306 V C 1.069 177.039 176.094 -0.206 0.000 1.414 306 V CA -0.425 61.731 62.300 -0.239 0.000 1.133 306 V CB -0.689 30.989 31.823 -0.241 0.000 1.088 306 V HN 0.470 nan 8.190 nan 0.000 0.473 307 R N 1.290 121.644 120.500 -0.243 0.000 2.507 307 R HA 0.477 4.817 4.340 0.001 0.000 0.298 307 R C 1.561 177.707 176.300 -0.257 0.000 0.999 307 R CA 0.345 56.345 56.100 -0.167 0.000 1.082 307 R CB 0.684 30.893 30.300 -0.151 0.000 1.246 307 R HN 0.632 nan 8.270 nan 0.000 0.553 308 G N 3.133 111.568 108.800 -0.609 0.000 2.661 308 G HA2 -0.462 3.498 3.960 0.001 0.000 0.327 308 G HA3 -0.462 3.498 3.960 0.001 0.000 0.327 308 G C 0.793 175.464 174.900 -0.382 0.000 1.320 308 G CA 0.961 45.576 45.100 -0.808 0.000 0.997 308 G HN 0.553 nan 8.290 nan 0.000 0.543 309 R N 1.042 121.417 120.500 -0.207 0.000 2.307 309 R HA 0.212 4.553 4.340 0.001 0.000 0.199 309 R C 1.917 178.107 176.300 -0.184 0.000 1.000 309 R CA 1.633 57.627 56.100 -0.177 0.000 1.023 309 R CB -0.229 30.003 30.300 -0.114 0.000 0.908 309 R HN 0.667 nan 8.270 nan 0.000 0.473 310 E N 1.662 121.767 120.200 -0.159 0.000 2.472 310 E HA -0.098 4.252 4.350 0.001 0.000 0.200 310 E C 1.792 178.255 176.600 -0.229 0.000 1.046 310 E CA 0.934 57.217 56.400 -0.196 0.000 0.871 310 E CB -0.130 29.469 29.700 -0.169 0.000 0.806 310 E HN 0.658 nan 8.360 nan 0.000 0.533 311 I N -1.017 119.367 120.570 -0.311 0.000 2.756 311 I HA -0.136 4.034 4.170 0.001 0.000 0.262 311 I C 2.030 178.004 176.117 -0.238 0.000 1.225 311 I CA 1.079 62.121 61.300 -0.430 0.000 1.472 311 I CB -0.265 37.143 38.000 -0.985 0.000 1.094 311 I HN -0.067 nan 8.210 nan 0.000 0.454 312 S N 0.608 116.211 115.700 -0.160 0.000 2.631 312 S HA 0.209 4.679 4.470 0.001 0.000 0.217 312 S C 0.771 175.472 174.600 0.169 0.000 0.958 312 S CA -0.544 57.695 58.200 0.065 0.000 0.920 312 S CB -0.336 62.833 63.200 -0.051 0.000 0.776 312 S HN 0.477 nan 8.310 nan 0.000 0.517 313 R N 1.862 122.298 120.500 -0.107 0.000 2.207 313 R HA 0.335 4.675 4.340 0.001 0.000 0.334 313 R C 1.219 177.018 176.300 -0.835 0.000 1.013 313 R CA 0.281 56.063 56.100 -0.529 0.000 0.858 313 R CB 1.174 30.945 30.300 -0.883 0.000 1.094 313 R HN 0.455 nan 8.270 nan 0.000 0.457 314 S N 2.578 117.569 115.700 -1.181 0.000 2.399 314 S HA -0.231 4.239 4.470 0.001 0.000 0.231 314 S C 1.589 175.754 174.600 -0.726 0.000 1.022 314 S CA 1.026 58.264 58.200 -1.603 0.000 0.983 314 S CB -0.415 61.818 63.200 -1.611 0.000 0.803 314 S HN 0.799 nan 8.310 nan 0.000 0.480 315 Y N 0.561 120.631 120.300 -0.383 0.000 2.502 315 Y HA 0.726 5.276 4.550 0.001 0.000 0.295 315 Y C 0.901 176.717 175.900 -0.141 0.000 1.193 315 Y CA -0.503 57.468 58.100 -0.215 0.000 1.295 315 Y CB -0.425 37.933 38.460 -0.170 0.000 1.059 315 Y HN 0.338 nan 8.280 nan 0.000 0.514 316 A N 0.664 123.252 122.820 -0.388 0.000 3.234 316 A HA 0.304 4.624 4.320 0.001 0.000 0.247 316 A C -0.305 177.216 177.584 -0.105 0.000 0.938 316 A CA -0.668 51.248 52.037 -0.201 0.000 1.039 316 A CB -0.164 18.675 19.000 -0.269 0.000 1.197 316 A HN 0.418 nan 8.150 nan 0.000 0.498 317 Q N 0.404 120.200 119.800 -0.007 0.000 2.396 317 Q HA 0.167 4.508 4.340 0.001 0.000 0.221 317 Q C 0.776 176.848 176.000 0.121 0.000 1.025 317 Q CA -0.006 55.886 55.803 0.148 0.000 0.946 317 Q CB 0.829 29.719 28.738 0.253 0.000 1.224 317 Q HN 0.641 nan 8.270 nan 0.000 0.539 318 D N -0.114 120.382 120.400 0.159 0.000 2.149 318 D HA -0.289 4.351 4.640 0.001 0.000 0.194 318 D C 1.255 177.528 176.300 -0.045 0.000 1.001 318 D CA 1.981 56.014 54.000 0.056 0.000 0.849 318 D CB -0.321 40.530 40.800 0.086 0.000 0.939 318 D HN 0.541 nan 8.370 nan 0.000 0.449 319 H N 0.065 119.137 119.070 0.005 0.000 2.395 319 H HA 0.211 4.768 4.556 0.001 0.000 0.299 319 H C 2.245 177.327 175.328 -0.409 0.000 1.070 319 H CA 1.195 57.165 56.048 -0.129 0.000 1.356 319 H CB -0.016 29.785 29.762 0.065 0.000 1.401 319 H HN 0.350 nan 8.280 nan 0.000 0.524 320 A N 0.719 123.497 122.820 -0.069 0.000 1.933 320 A HA -0.099 4.221 4.320 0.001 0.000 0.218 320 A C 2.733 180.301 177.584 -0.026 0.000 1.175 320 A CA 1.357 53.355 52.037 -0.066 0.000 0.628 320 A CB -0.692 18.329 19.000 0.036 0.000 0.814 320 A HN 0.183 nan 8.150 nan 0.000 0.444 321 V N -0.192 119.708 119.914 -0.022 0.000 2.379 321 V HA -0.118 4.002 4.120 0.001 0.000 0.245 321 V C 2.823 178.924 176.094 0.012 0.000 1.044 321 V CA 1.758 64.056 62.300 -0.002 0.000 1.036 321 V CB -1.467 30.345 31.823 -0.019 0.000 0.664 321 V HN 0.585 nan 8.190 nan 0.000 0.453 322 G N -0.820 107.964 108.800 -0.027 0.000 2.442 322 G HA2 -0.278 3.682 3.960 0.001 0.000 0.219 322 G HA3 -0.278 3.682 3.960 0.001 0.000 0.219 322 G C 1.355 176.365 174.900 0.185 0.000 1.141 322 G CA 0.975 46.089 45.100 0.022 0.000 0.763 322 G HN 0.561 nan 8.290 nan 0.000 0.554 323 H N 0.591 119.750 119.070 0.148 0.000 2.353 323 H HA -0.034 4.522 4.556 0.001 0.000 0.300 323 H C 2.833 178.265 175.328 0.172 0.000 1.090 323 H CA 0.964 57.153 56.048 0.236 0.000 1.327 323 H CB -0.898 28.929 29.762 0.108 0.000 1.383 323 H HN 0.335 nan 8.280 nan 0.000 0.508 324 G N 0.391 109.308 108.800 0.195 0.000 2.432 324 G HA2 -0.159 3.802 3.960 0.001 0.000 0.219 324 G HA3 -0.159 3.802 3.960 0.001 0.000 0.219 324 G C 1.847 176.784 174.900 0.063 0.000 1.135 324 G CA 0.685 45.845 45.100 0.100 0.000 0.767 324 G HN 0.351 nan 8.290 nan 0.000 0.550 325 I N 0.360 120.954 120.570 0.040 0.000 2.286 325 I HA -0.111 4.059 4.170 0.001 0.000 0.245 325 I C 2.641 178.732 176.117 -0.045 0.000 1.104 325 I CA 0.420 61.675 61.300 -0.074 0.000 1.397 325 I CB -0.158 37.785 38.000 -0.094 0.000 1.072 325 I HN 0.004 nan 8.210 nan 0.000 0.417 326 V N 1.131 121.087 119.914 0.072 0.000 2.515 326 V HA -0.218 3.903 4.120 0.001 0.000 0.250 326 V C 2.701 178.852 176.094 0.095 0.000 1.058 326 V CA 1.695 64.016 62.300 0.035 0.000 1.064 326 V CB -0.848 30.960 31.823 -0.025 0.000 0.675 326 V HN 0.463 nan 8.190 nan 0.000 0.461 327 A N -0.270 122.686 122.820 0.227 0.000 1.933 327 A HA -0.188 4.132 4.320 0.001 0.000 0.218 327 A C 2.480 180.098 177.584 0.056 0.000 1.175 327 A CA 2.211 54.363 52.037 0.192 0.000 0.628 327 A CB -0.530 18.543 19.000 0.121 0.000 0.814 327 A HN 0.518 nan 8.150 nan 0.000 0.444 328 S N -0.229 115.471 115.700 -0.000 0.000 2.371 328 S HA -0.038 4.432 4.470 0.001 0.000 0.224 328 S C 1.791 176.332 174.600 -0.098 0.000 1.029 328 S CA 1.210 59.387 58.200 -0.038 0.000 0.978 328 S CB -0.437 62.715 63.200 -0.081 0.000 0.833 328 S HN 0.548 nan 8.310 nan 0.000 0.466 329 I N 1.334 121.807 120.570 -0.162 0.000 2.163 329 I HA -0.163 4.008 4.170 0.001 0.000 0.243 329 I C 2.153 178.181 176.117 -0.148 0.000 1.085 329 I CA 0.971 62.106 61.300 -0.275 0.000 1.347 329 I CB -0.498 37.365 38.000 -0.229 0.000 1.044 329 I HN 0.141 nan 8.210 nan 0.000 0.408 330 V N 0.848 120.730 119.914 -0.053 0.000 2.392 330 V HA -0.283 3.837 4.120 0.001 0.000 0.249 330 V C 2.610 178.702 176.094 -0.004 0.000 1.059 330 V CA 1.912 64.210 62.300 -0.004 0.000 1.051 330 V CB -0.767 31.081 31.823 0.042 0.000 0.658 330 V HN 0.391 nan 8.190 nan 0.000 0.455 331 R N 0.471 120.965 120.500 -0.010 0.000 2.066 331 R HA -0.060 4.281 4.340 0.001 0.000 0.232 331 R C 2.047 178.419 176.300 0.120 0.000 1.131 331 R CA 1.708 57.815 56.100 0.011 0.000 0.955 331 R CB -0.792 29.529 30.300 0.035 0.000 0.851 331 R HN 0.474 nan 8.270 nan 0.000 0.432 332 L N -0.024 121.219 121.223 0.034 0.000 2.083 332 L HA -0.048 4.292 4.340 0.001 0.000 0.209 332 L C 2.346 179.111 176.870 -0.175 0.000 1.083 332 L CA 1.273 56.038 54.840 -0.125 0.000 0.752 332 L CB -0.681 41.239 42.059 -0.230 0.000 0.899 332 L HN 0.305 nan 8.230 nan 0.000 0.433 333 A N -0.727 122.122 122.820 0.047 0.000 2.186 333 A HA -0.193 4.128 4.320 0.001 0.000 0.219 333 A C 2.125 179.721 177.584 0.021 0.000 1.159 333 A CA 1.172 53.266 52.037 0.096 0.000 0.680 333 A CB -0.254 18.816 19.000 0.117 0.000 0.787 333 A HN 0.425 nan 8.150 nan 0.000 0.467 334 Q N -1.585 118.261 119.800 0.077 0.000 2.331 334 Q HA 0.025 4.365 4.340 0.001 0.000 0.203 334 Q C 1.231 177.434 176.000 0.338 0.000 0.944 334 Q CA 1.342 57.269 55.803 0.207 0.000 0.892 334 Q CB -0.136 28.750 28.738 0.247 0.000 0.983 334 Q HN 1.007 nan 8.270 nan 0.000 0.482 335 F N -2.801 117.274 119.950 0.208 0.000 2.925 335 F HA 0.601 5.128 4.527 0.001 0.000 0.359 335 F C 0.480 176.339 175.800 0.099 0.000 1.038 335 F CA -0.719 57.384 58.000 0.172 0.000 1.130 335 F CB -0.286 38.854 39.000 0.233 0.000 1.093 335 F HN -0.183 nan 8.300 nan 0.000 0.561 336 A N 4.155 126.571 122.820 -0.674 0.000 2.531 336 A HA 0.417 4.737 4.320 0.001 0.000 0.236 336 A C -2.058 175.285 177.584 -0.402 0.000 1.062 336 A CA -0.816 50.794 52.037 -0.713 0.000 0.760 336 A CB -0.691 17.740 19.000 -0.948 0.000 0.995 336 A HN 0.280 nan 8.150 nan 0.000 0.501 337 P HA 0.367 nan 4.420 nan 0.000 0.274 337 P C -0.194 176.955 177.300 -0.252 0.000 1.246 337 P CA -0.113 62.887 63.100 -0.166 0.000 0.795 337 P CB 0.774 32.463 31.700 -0.018 0.000 1.006 338 A N 2.693 125.393 122.820 -0.200 0.000 2.445 338 A HA 0.307 4.628 4.320 0.001 0.000 0.242 338 A C -1.208 176.154 177.584 -0.369 0.000 1.075 338 A CA -0.733 51.143 52.037 -0.268 0.000 0.777 338 A CB -0.917 17.975 19.000 -0.180 0.000 1.013 338 A HN 0.512 nan 8.150 nan 0.000 0.493 339 P HA 0.087 nan 4.420 nan 0.000 0.266 339 P C 0.393 177.325 177.300 -0.614 0.000 1.381 339 P CA 0.161 62.974 63.100 -0.479 0.000 0.940 339 P CB 0.083 31.554 31.700 -0.383 0.000 1.435 340 H N 0.995 119.715 119.070 -0.584 0.000 2.319 340 H HA -0.071 4.485 4.556 0.001 0.000 0.299 340 H C 2.059 176.609 175.328 -1.296 0.000 1.092 340 H CA 1.802 57.218 56.048 -1.052 0.000 1.302 340 H CB -0.935 27.940 29.762 -1.478 0.000 1.373 340 H HN 0.171 nan 8.280 nan 0.000 0.497 341 A N 1.651 124.030 122.820 -0.734 0.000 1.873 341 A HA -0.193 4.128 4.320 0.001 0.000 0.218 341 A C 2.788 180.206 177.584 -0.276 0.000 1.193 341 A CA 2.348 54.130 52.037 -0.425 0.000 0.629 341 A CB -1.097 17.749 19.000 -0.257 0.000 0.826 341 A HN 0.464 nan 8.150 nan 0.000 0.447 342 A N -0.386 122.276 122.820 -0.262 0.000 1.908 342 A HA 0.084 4.404 4.320 0.001 0.000 0.218 342 A C 2.524 180.026 177.584 -0.137 0.000 1.181 342 A CA 2.495 54.431 52.037 -0.168 0.000 0.627 342 A CB -1.075 17.824 19.000 -0.169 0.000 0.818 342 A HN 1.188 nan 8.150 nan 0.000 0.445 343 A N -1.122 121.574 122.820 -0.206 0.000 1.898 343 A HA 0.011 4.332 4.320 0.001 0.000 0.216 343 A C 2.081 179.735 177.584 0.116 0.000 1.181 343 A CA 1.263 53.253 52.037 -0.079 0.000 0.620 343 A CB -0.779 18.166 19.000 -0.092 0.000 0.819 343 A HN 0.563 nan 8.150 nan 0.000 0.442 344 F N 0.192 120.156 119.950 0.023 0.000 2.134 344 F HA -0.206 4.321 4.527 0.001 0.000 0.299 344 F C 2.466 178.246 175.800 -0.033 0.000 1.097 344 F CA 1.290 59.288 58.000 -0.003 0.000 1.264 344 F CB -0.154 38.802 39.000 -0.073 0.000 1.001 344 F HN 0.166 nan 8.300 nan 0.000 0.479 345 K N 0.253 120.737 120.400 0.141 0.000 2.097 345 K HA -0.216 4.104 4.320 0.001 0.000 0.206 345 K C 1.944 178.556 176.600 0.020 0.000 1.049 345 K CA 1.385 57.701 56.287 0.048 0.000 0.933 345 K CB -0.321 32.185 32.500 0.009 0.000 0.717 345 K HN 0.399 nan 8.250 nan 0.000 0.442 346 Q N 0.454 120.268 119.800 0.022 0.000 2.119 346 Q HA -0.078 4.262 4.340 0.001 0.000 0.201 346 Q C 2.151 178.158 176.000 0.011 0.000 0.972 346 Q CA 1.017 56.822 55.803 0.004 0.000 0.847 346 Q CB -0.017 28.718 28.738 -0.006 0.000 0.903 346 Q HN 0.348 nan 8.270 nan 0.000 0.433 347 I N 0.400 121.003 120.570 0.056 0.000 2.163 347 I HA -0.263 3.907 4.170 0.001 0.000 0.240 347 I C 2.437 178.542 176.117 -0.020 0.000 1.081 347 I CA 0.943 62.274 61.300 0.052 0.000 1.353 347 I CB -0.430 37.650 38.000 0.134 0.000 1.054 347 I HN 0.151 nan 8.210 nan 0.000 0.407 348 A N 0.812 123.607 122.820 -0.042 0.000 1.883 348 A HA -0.289 4.031 4.320 0.001 0.000 0.217 348 A C 2.369 179.836 177.584 -0.195 0.000 1.186 348 A CA 2.115 54.060 52.037 -0.152 0.000 0.624 348 A CB -0.636 18.273 19.000 -0.151 0.000 0.822 348 A HN 0.344 nan 8.150 nan 0.000 0.444 349 K N -0.687 119.642 120.400 -0.119 0.000 2.113 349 K HA -0.204 4.116 4.320 0.001 0.000 0.208 349 K C 2.380 178.920 176.600 -0.100 0.000 1.047 349 K CA 1.569 57.794 56.287 -0.103 0.000 0.928 349 K CB -0.174 32.295 32.500 -0.052 0.000 0.716 349 K HN 0.409 nan 8.250 nan 0.000 0.446 350 R N 0.474 120.927 120.500 -0.079 0.000 2.066 350 R HA -0.086 4.255 4.340 0.001 0.000 0.232 350 R C 2.032 178.280 176.300 -0.087 0.000 1.131 350 R CA 1.542 57.602 56.100 -0.067 0.000 0.955 350 R CB -0.322 29.949 30.300 -0.047 0.000 0.851 350 R HN 0.115 nan 8.270 nan 0.000 0.432 351 V N 1.544 121.393 119.914 -0.109 0.000 2.490 351 V HA -0.237 3.883 4.120 0.001 0.000 0.250 351 V C 2.419 178.432 176.094 -0.135 0.000 1.061 351 V CA 1.589 63.826 62.300 -0.105 0.000 1.064 351 V CB -0.403 31.359 31.823 -0.102 0.000 0.670 351 V HN 0.305 nan 8.190 nan 0.000 0.461 352 I N -0.230 120.189 120.570 -0.252 0.000 2.315 352 I HA -0.260 3.911 4.170 0.001 0.000 0.248 352 I C 2.637 178.676 176.117 -0.130 0.000 1.117 352 I CA 1.492 62.610 61.300 -0.303 0.000 1.404 352 I CB -0.299 37.433 38.000 -0.447 0.000 1.071 352 I HN 0.393 nan 8.210 nan 0.000 0.419 353 Q N 0.275 120.025 119.800 -0.083 0.000 2.137 353 Q HA -0.150 4.190 4.340 0.001 0.000 0.198 353 Q C 1.986 177.981 176.000 -0.008 0.000 0.960 353 Q CA 0.947 56.733 55.803 -0.029 0.000 0.847 353 Q CB -0.060 28.665 28.738 -0.022 0.000 0.915 353 Q HN 0.513 nan 8.270 nan 0.000 0.448 354 E N 1.110 121.298 120.200 -0.021 0.000 2.077 354 E HA -0.143 4.207 4.350 0.001 0.000 0.193 354 E C 0.350 176.982 176.600 0.054 0.000 0.989 354 E CA 0.584 56.978 56.400 -0.009 0.000 0.800 354 E CB 0.080 29.744 29.700 -0.060 0.000 0.746 354 E HN 0.144 nan 8.360 nan 0.000 0.452 355 D N 0.596 121.054 120.400 0.097 0.000 2.416 355 D HA -0.021 4.620 4.640 0.001 0.000 0.240 355 D C 0.198 176.591 176.300 0.155 0.000 1.250 355 D CA 0.199 54.323 54.000 0.206 0.000 0.967 355 D CB 0.565 41.575 40.800 0.351 0.000 1.059 355 D HN 0.042 nan 8.370 nan 0.000 0.512 356 T N 0.265 114.906 114.554 0.144 0.000 3.163 356 T HA 0.029 4.380 4.350 0.001 0.000 0.252 356 T C 1.375 176.144 174.700 0.116 0.000 1.056 356 T CA -0.453 61.710 62.100 0.105 0.000 0.947 356 T CB -0.306 68.617 68.868 0.091 0.000 1.016 356 T HN 0.279 nan 8.240 nan 0.000 0.554 357 F N 1.819 121.750 119.950 -0.032 0.000 2.274 357 F HA 0.508 5.036 4.527 0.001 0.000 0.288 357 F C 0.585 176.349 175.800 -0.060 0.000 1.069 357 F CA -0.103 57.833 58.000 -0.107 0.000 1.343 357 F CB 0.123 38.917 39.000 -0.344 0.000 1.089 357 F HN 0.177 nan 8.300 nan 0.000 0.517 358 S N 0.209 115.783 115.700 -0.210 0.000 2.672 358 S HA 0.382 4.853 4.470 0.001 0.000 0.291 358 S C -0.785 173.878 174.600 0.105 0.000 1.145 358 S CA -0.663 57.421 58.200 -0.194 0.000 1.013 358 S CB 0.870 63.996 63.200 -0.124 0.000 1.017 358 S HN 0.347 nan 8.310 nan 0.000 0.487 359 S N 3.921 119.622 115.700 0.002 0.000 2.546 359 S HA 0.085 4.555 4.470 0.001 0.000 0.290 359 S C 1.013 175.518 174.600 -0.159 0.000 1.290 359 S CA -0.201 57.987 58.200 -0.019 0.000 1.069 359 S CB -0.255 62.960 63.200 0.026 0.000 0.846 359 S HN 0.737 nan 8.310 nan 0.000 0.495 360 F N 6.278 125.887 119.950 -0.569 0.000 2.171 360 F HA -0.082 4.445 4.527 0.001 0.000 0.300 360 F C 1.048 176.507 175.800 -0.570 0.000 1.090 360 F CA 1.424 58.844 58.000 -0.968 0.000 1.293 360 F CB -0.366 38.100 39.000 -0.890 0.000 1.013 360 F HN 0.807 nan 8.300 nan 0.000 0.486 361 Y N 0.470 120.619 120.300 -0.252 0.000 2.616 361 Y HA 0.111 4.661 4.550 0.001 0.000 0.296 361 Y C 2.514 178.267 175.900 -0.246 0.000 1.154 361 Y CA 0.507 58.441 58.100 -0.277 0.000 1.325 361 Y CB -1.391 37.031 38.460 -0.063 0.000 1.007 361 Y HN 0.157 nan 8.280 nan 0.000 0.542 362 G N 0.140 108.882 108.800 -0.097 0.000 2.484 362 G HA2 -0.139 3.822 3.960 0.001 0.000 0.218 362 G HA3 -0.139 3.822 3.960 0.001 0.000 0.218 362 G C 0.239 175.096 174.900 -0.071 0.000 1.130 362 G CA 0.987 46.055 45.100 -0.053 0.000 0.784 362 G HN 0.453 nan 8.290 nan 0.000 0.543 363 D N -0.581 119.743 120.400 -0.127 0.000 2.940 363 D HA 0.239 4.879 4.640 0.001 0.000 0.366 363 D C 0.024 176.240 176.300 -0.140 0.000 1.446 363 D CA -0.516 53.436 54.000 -0.079 0.000 0.780 363 D CB -0.068 40.745 40.800 0.023 0.000 1.206 363 D HN 0.295 nan 8.370 nan 0.000 0.454 364 V N -2.650 117.119 119.914 -0.242 0.000 3.141 364 V HA 0.837 4.957 4.120 0.001 0.000 0.312 364 V C 0.460 176.462 176.094 -0.153 0.000 1.157 364 V CA -1.005 61.148 62.300 -0.246 0.000 1.041 364 V CB 1.287 32.809 31.823 -0.501 0.000 1.071 364 V HN 0.226 nan 8.190 nan 0.000 0.441 365 S N 0.215 115.849 115.700 -0.110 0.000 2.573 365 S HA 0.078 4.548 4.470 0.001 0.000 0.277 365 S C 1.414 175.970 174.600 -0.074 0.000 1.346 365 S CA 0.443 58.591 58.200 -0.085 0.000 1.034 365 S CB 0.735 63.880 63.200 -0.090 0.000 0.879 365 S HN 1.754 nan 8.310 nan 0.000 0.528 366 T N -1.041 113.475 114.554 -0.063 0.000 2.803 366 T HA -0.192 4.158 4.350 0.001 0.000 0.269 366 T C 1.217 175.889 174.700 -0.046 0.000 1.052 366 T CA 1.647 63.717 62.100 -0.051 0.000 1.136 366 T CB -0.759 68.082 68.868 -0.046 0.000 0.864 366 T HN 0.720 nan 8.240 nan 0.000 0.467 367 D N 1.087 121.450 120.400 -0.061 0.000 2.178 367 D HA -0.044 4.597 4.640 0.001 0.000 0.202 367 D C 2.186 178.463 176.300 -0.038 0.000 0.974 367 D CA 1.216 55.179 54.000 -0.063 0.000 0.841 367 D CB -0.448 40.290 40.800 -0.104 0.000 0.953 367 D HN 0.426 nan 8.370 nan 0.000 0.478 368 T N 0.003 114.540 114.554 -0.028 0.000 2.821 368 T HA -0.065 4.285 4.350 0.001 0.000 0.267 368 T C 2.050 176.825 174.700 0.126 0.000 1.046 368 T CA 0.737 62.859 62.100 0.037 0.000 1.139 368 T CB -0.129 68.753 68.868 0.023 0.000 0.871 368 T HN 0.214 nan 8.240 nan 0.000 0.454 369 I N 0.870 121.493 120.570 0.088 0.000 2.179 369 I HA -0.187 3.983 4.170 0.001 0.000 0.242 369 I C 2.821 178.980 176.117 0.070 0.000 1.088 369 I CA 1.352 62.740 61.300 0.146 0.000 1.357 369 I CB -0.448 37.569 38.000 0.030 0.000 1.051 369 I HN 0.137 nan 8.210 nan 0.000 0.409 370 R N 1.526 122.034 120.500 0.012 0.000 2.083 370 R HA -0.184 4.156 4.340 0.001 0.000 0.237 370 R C 2.346 178.656 176.300 0.018 0.000 1.137 370 R CA 1.685 57.780 56.100 -0.008 0.000 0.951 370 R CB -0.271 30.017 30.300 -0.021 0.000 0.851 370 R HN 0.311 nan 8.270 nan 0.000 0.434 371 L N 0.115 121.358 121.223 0.032 0.000 2.093 371 L HA -0.062 4.278 4.340 0.001 0.000 0.208 371 L C 2.747 179.661 176.870 0.073 0.000 1.085 371 L CA 1.047 55.910 54.840 0.037 0.000 0.755 371 L CB -0.537 41.531 42.059 0.015 0.000 0.904 371 L HN 0.340 nan 8.230 nan 0.000 0.435 372 A N -0.003 122.905 122.820 0.147 0.000 1.845 372 A HA -0.197 4.123 4.320 0.001 0.000 0.215 372 A C 2.338 180.028 177.584 0.176 0.000 1.195 372 A CA 1.465 53.628 52.037 0.209 0.000 0.616 372 A CB -0.391 18.907 19.000 0.495 0.000 0.832 372 A HN 0.145 nan 8.150 nan 0.000 0.443 373 K N -0.118 120.376 120.400 0.156 0.000 2.113 373 K HA -0.165 4.156 4.320 0.001 0.000 0.208 373 K C 2.212 178.830 176.600 0.029 0.000 1.047 373 K CA 1.431 57.745 56.287 0.046 0.000 0.928 373 K CB -0.813 31.638 32.500 -0.081 0.000 0.716 373 K HN 0.487 nan 8.250 nan 0.000 0.446 374 A N 1.036 123.872 122.820 0.026 0.000 1.940 374 A HA -0.149 4.172 4.320 0.001 0.000 0.219 374 A C 2.261 179.855 177.584 0.016 0.000 1.176 374 A CA 1.373 53.419 52.037 0.014 0.000 0.631 374 A CB -0.457 18.552 19.000 0.015 0.000 0.814 374 A HN 0.238 nan 8.150 nan 0.000 0.446 375 I N -0.913 119.672 120.570 0.026 0.000 2.277 375 I HA -0.146 4.025 4.170 0.001 0.000 0.243 375 I C 2.280 178.405 176.117 0.013 0.000 1.094 375 I CA 0.835 62.143 61.300 0.014 0.000 1.393 375 I CB -0.320 37.684 38.000 0.007 0.000 1.078 375 I HN 0.122 nan 8.210 nan 0.000 0.417 376 V N 0.769 120.703 119.914 0.032 0.000 2.490 376 V HA -0.263 3.857 4.120 0.001 0.000 0.250 376 V C 1.605 177.714 176.094 0.025 0.000 1.061 376 V CA 1.792 64.114 62.300 0.037 0.000 1.064 376 V CB -0.618 31.263 31.823 0.097 0.000 0.670 376 V HN 0.403 nan 8.190 nan 0.000 0.461 377 D N -0.624 119.788 120.400 0.019 0.000 2.349 377 D HA 0.005 4.646 4.640 0.001 0.000 0.224 377 D C 0.715 177.016 176.300 0.001 0.000 1.029 377 D CA 0.338 54.342 54.000 0.007 0.000 0.879 377 D CB -0.047 40.751 40.800 -0.003 0.000 0.906 377 D HN 0.377 nan 8.370 nan 0.000 0.528 378 D N 1.314 121.715 120.400 0.001 0.000 2.339 378 D HA 0.045 4.685 4.640 0.001 0.000 0.241 378 D C -1.365 174.931 176.300 -0.006 0.000 1.183 378 D CA -1.970 52.027 54.000 -0.004 0.000 0.859 378 D CB 1.875 42.672 40.800 -0.005 0.000 1.067 378 D HN -0.019 nan 8.370 nan 0.000 0.484 379 P HA -0.145 nan 4.420 nan 0.000 0.222 379 P C 1.025 178.318 177.300 -0.012 0.000 1.147 379 P CA 0.698 63.793 63.100 -0.008 0.000 0.790 379 P CB 0.182 31.878 31.700 -0.007 0.000 0.780 380 S N -1.095 114.596 115.700 -0.014 0.000 2.561 380 S HA 0.044 4.514 4.470 0.001 0.000 0.225 380 S C 0.986 175.572 174.600 -0.022 0.000 0.977 380 S CA -0.074 58.114 58.200 -0.019 0.000 0.926 380 S CB -0.920 62.268 63.200 -0.020 0.000 0.769 380 S HN 0.080 nan 8.310 nan 0.000 0.533 381 I N 2.206 122.764 120.570 -0.020 0.000 2.312 381 I HA 0.535 4.705 4.170 0.001 0.000 0.290 381 I C 0.204 176.309 176.117 -0.020 0.000 1.008 381 I CA -0.693 60.593 61.300 -0.023 0.000 1.226 381 I CB 1.383 39.371 38.000 -0.020 0.000 1.371 381 I HN 0.204 nan 8.210 nan 0.000 0.468 382 A N 8.383 131.188 122.820 -0.024 0.000 2.312 382 A HA 0.732 5.053 4.320 0.001 0.000 0.326 382 A C -2.557 175.013 177.584 -0.023 0.000 1.172 382 A CA -1.742 50.281 52.037 -0.022 0.000 0.821 382 A CB 0.447 19.433 19.000 -0.023 0.000 1.166 382 A HN 0.387 nan 8.150 nan 0.000 0.493 383 P HA 0.223 nan 4.420 nan 0.000 0.264 383 P C 0.063 177.350 177.300 -0.022 0.000 1.193 383 P CA 0.417 63.503 63.100 -0.024 0.000 0.763 383 P CB 0.657 32.342 31.700 -0.024 0.000 0.810 384 A N 3.619 126.429 122.820 -0.017 0.000 2.448 384 A HA 0.459 4.779 4.320 0.001 0.000 0.239 384 A C 0.577 178.151 177.584 -0.016 0.000 1.080 384 A CA 0.111 52.140 52.037 -0.013 0.000 0.779 384 A CB -0.293 18.712 19.000 0.007 0.000 1.026 384 A HN 0.589 nan 8.150 nan 0.000 0.499 385 A N 0.456 123.265 122.820 -0.018 0.000 2.386 385 A HA 0.566 4.887 4.320 0.001 0.000 0.248 385 A C 0.832 178.408 177.584 -0.014 0.000 1.082 385 A CA 0.181 52.208 52.037 -0.018 0.000 0.789 385 A CB -0.255 18.733 19.000 -0.020 0.000 1.025 385 A HN 2.183 nan 8.150 nan 0.000 0.490 386 A N 2.818 125.628 122.820 -0.017 0.000 2.407 386 A HA 0.571 4.891 4.320 0.001 0.000 0.248 386 A C -1.775 175.806 177.584 -0.005 0.000 1.082 386 A CA -1.099 50.927 52.037 -0.018 0.000 0.785 386 A CB -0.530 18.453 19.000 -0.028 0.000 1.020 386 A HN 0.747 nan 8.150 nan 0.000 0.489 387 P HA 0.127 nan 4.420 nan 0.000 0.271 387 P C -0.987 176.312 177.300 -0.001 0.000 1.218 387 P CA -0.120 62.987 63.100 0.012 0.000 0.780 387 P CB 0.481 32.202 31.700 0.035 0.000 0.901 388 N N 2.211 120.903 118.700 -0.014 0.000 2.581 388 N HA 0.426 5.167 4.740 0.001 0.000 0.279 388 N C -1.086 174.401 175.510 -0.039 0.000 1.124 388 N CA -0.561 52.470 53.050 -0.032 0.000 0.833 388 N CB 0.241 38.709 38.487 -0.032 0.000 1.338 388 N HN 0.248 nan 8.380 nan 0.000 0.533 389 L N 0.139 121.343 121.223 -0.032 0.000 3.133 389 L HA 0.591 4.932 4.340 0.001 0.000 0.289 389 L C -2.114 174.782 176.870 0.042 0.000 1.012 389 L CA -1.300 53.527 54.840 -0.022 0.000 1.001 389 L CB -0.079 41.961 42.059 -0.031 0.000 1.580 389 L HN 0.340 nan 8.230 nan 0.000 0.373 390 Y N 0.504 120.763 120.300 -0.068 0.000 2.361 390 Y HA 0.773 5.323 4.550 0.001 0.000 0.337 390 Y C -0.795 175.070 175.900 -0.060 0.000 0.965 390 Y CA -0.515 57.568 58.100 -0.029 0.000 1.091 390 Y CB 1.610 40.072 38.460 0.003 0.000 1.182 390 Y HN 0.833 nan 8.280 nan 0.000 0.450 391 K N 4.610 124.588 120.400 -0.703 0.000 2.378 391 K HA 0.372 4.693 4.320 0.001 0.000 0.252 391 K C -1.597 174.545 176.600 -0.765 0.000 0.931 391 K CA -0.986 54.933 56.287 -0.613 0.000 0.794 391 K CB 1.890 34.070 32.500 -0.533 0.000 1.181 391 K HN 0.717 nan 8.250 nan 0.000 0.425 392 Q N 2.776 122.255 119.800 -0.535 0.000 2.347 392 Q HA 0.224 4.565 4.340 0.001 0.000 0.262 392 Q C -1.700 174.099 176.000 -0.334 0.000 0.980 392 Q CA -0.267 55.344 55.803 -0.320 0.000 0.867 392 Q CB 0.786 29.477 28.738 -0.078 0.000 1.242 392 Q HN 0.512 nan 8.270 nan 0.000 0.453 393 Y N 3.234 123.470 120.300 -0.107 0.000 2.817 393 Y HA 0.312 4.862 4.550 0.001 0.000 0.339 393 Y C 1.237 177.081 175.900 -0.093 0.000 1.281 393 Y CA -0.209 57.836 58.100 -0.092 0.000 1.564 393 Y CB 0.207 38.611 38.460 -0.095 0.000 1.628 393 Y HN 0.914 nan 8.280 nan 0.000 0.489 394 A N 1.677 124.499 122.820 0.004 0.000 1.927 394 A HA -0.293 4.028 4.320 0.001 0.000 0.220 394 A C 2.385 179.930 177.584 -0.065 0.000 1.185 394 A CA 2.129 54.155 52.037 -0.018 0.000 0.639 394 A CB -0.733 18.249 19.000 -0.030 0.000 0.820 394 A HN 0.687 nan 8.150 nan 0.000 0.451 395 A N -0.545 122.191 122.820 -0.139 0.000 2.121 395 A HA 0.105 4.425 4.320 0.001 0.000 0.218 395 A C 1.802 179.166 177.584 -0.367 0.000 1.154 395 A CA 1.546 53.355 52.037 -0.379 0.000 0.679 395 A CB -0.586 17.917 19.000 -0.829 0.000 0.795 395 A HN 0.983 nan 8.150 nan 0.000 0.458 396 M N -3.730 115.761 119.600 -0.181 0.000 2.747 396 M HA 0.332 4.813 4.480 0.001 0.000 0.402 396 M C -0.868 175.409 176.300 -0.039 0.000 1.238 396 M CA -0.296 54.925 55.300 -0.132 0.000 0.877 396 M CB 0.322 32.834 32.600 -0.146 0.000 1.424 396 M HN -0.043 nan 8.290 nan 0.000 0.511 397 D N 2.036 122.435 120.400 -0.002 0.000 2.702 397 D HA -0.146 4.495 4.640 0.001 0.000 0.233 397 D C -0.430 175.904 176.300 0.057 0.000 1.164 397 D CA 0.938 54.969 54.000 0.052 0.000 0.638 397 D CB -0.455 40.393 40.800 0.080 0.000 1.041 397 D HN 0.520 nan 8.370 nan 0.000 0.422 398 R N -0.508 120.028 120.500 0.059 0.000 2.888 398 R HA 0.931 5.271 4.340 0.001 0.000 0.266 398 R C -0.204 176.165 176.300 0.115 0.000 1.020 398 R CA -0.724 55.406 56.100 0.050 0.000 0.963 398 R CB 2.187 32.463 30.300 -0.040 0.000 1.197 398 R HN 0.083 nan 8.270 nan 0.000 0.481 399 A N 0.257 123.121 122.820 0.074 0.000 2.589 399 A HA 0.636 4.957 4.320 0.001 0.000 0.296 399 A C -1.622 175.955 177.584 -0.012 0.000 1.062 399 A CA -0.610 51.426 52.037 -0.001 0.000 0.686 399 A CB 2.005 20.983 19.000 -0.037 0.000 1.282 399 A HN 0.377 nan 8.150 nan 0.000 0.404 400 V N 1.827 121.668 119.914 -0.121 0.000 2.971 400 V HA 0.798 4.919 4.120 0.001 0.000 0.309 400 V C -1.912 174.147 176.094 -0.058 0.000 1.130 400 V CA -0.643 61.643 62.300 -0.024 0.000 0.964 400 V CB 1.879 33.739 31.823 0.062 0.000 1.029 400 V HN 1.284 nan 8.190 nan 0.000 0.427 401 L N 5.476 126.757 121.223 0.097 0.000 2.349 401 L HA 0.659 5.000 4.340 0.001 0.000 0.278 401 L C -0.654 176.239 176.870 0.039 0.000 0.996 401 L CA 0.209 55.144 54.840 0.158 0.000 0.825 401 L CB 1.791 44.034 42.059 0.306 0.000 1.243 401 L HN 0.691 nan 8.230 nan 0.000 0.412 402 Q N 5.473 125.259 119.800 -0.023 0.000 2.331 402 Q HA 0.599 4.940 4.340 0.001 0.000 0.267 402 Q C -0.937 174.952 176.000 -0.185 0.000 1.006 402 Q CA -0.717 55.036 55.803 -0.084 0.000 0.818 402 Q CB 2.683 31.421 28.738 0.000 0.000 1.276 402 Q HN 0.564 nan 8.270 nan 0.000 0.450 403 R N 1.441 121.719 120.500 -0.370 0.000 2.831 403 R HA 0.596 4.937 4.340 0.001 0.000 0.266 403 R C -2.609 173.569 176.300 -0.203 0.000 1.051 403 R CA -2.206 53.674 56.100 -0.368 0.000 0.943 403 R CB 0.587 30.457 30.300 -0.717 0.000 1.228 403 R HN 0.353 nan 8.270 nan 0.000 0.467 404 P HA 0.200 nan 4.420 nan 0.000 0.276 404 P C 0.499 177.872 177.300 0.123 0.000 1.243 404 P CA 0.626 63.752 63.100 0.044 0.000 0.768 404 P CB 0.599 32.335 31.700 0.060 0.000 0.856 405 G N 2.201 111.128 108.800 0.210 0.000 2.241 405 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 405 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 405 G C -0.059 175.110 174.900 0.448 0.000 0.998 405 G CA 0.321 45.613 45.100 0.319 0.000 0.621 405 G HN 0.645 nan 8.290 nan 0.000 0.519 406 F N -1.844 118.227 119.950 0.203 0.000 2.773 406 F HA 0.842 5.369 4.527 0.001 0.000 0.314 406 F C -0.719 175.044 175.800 -0.060 0.000 1.160 406 F CA -0.929 57.064 58.000 -0.012 0.000 0.920 406 F CB 0.875 39.879 39.000 0.006 0.000 1.323 406 F HN 1.160 nan 8.300 nan 0.000 0.457 407 A N 2.338 125.141 122.820 -0.028 0.000 2.520 407 A HA 0.725 5.045 4.320 0.001 0.000 0.298 407 A C -2.595 175.190 177.584 0.335 0.000 1.051 407 A CA -0.696 51.349 52.037 0.013 0.000 0.690 407 A CB 1.985 20.901 19.000 -0.139 0.000 1.281 407 A HN 1.265 nan 8.150 nan 0.000 0.402 408 L N 2.512 123.935 121.223 0.333 0.000 2.356 408 L HA 0.816 5.157 4.340 0.001 0.000 0.277 408 L C 0.023 177.051 176.870 0.263 0.000 0.996 408 L CA 0.051 55.093 54.840 0.337 0.000 0.822 408 L CB 0.999 43.259 42.059 0.335 0.000 1.256 408 L HN 0.967 nan 8.230 nan 0.000 0.413 409 G N 4.754 113.739 108.800 0.309 0.000 2.379 409 G HA2 0.550 4.510 3.960 0.001 0.000 0.327 409 G HA3 0.550 4.510 3.960 0.001 0.000 0.327 409 G C -1.694 173.324 174.900 0.196 0.000 1.145 409 G CA -0.452 44.781 45.100 0.222 0.000 0.905 409 G HN 0.531 nan 8.290 nan 0.000 0.466 410 L N 2.433 123.693 121.223 0.061 0.000 2.325 410 L HA 0.818 5.158 4.340 0.001 0.000 0.281 410 L C 0.047 176.902 176.870 -0.025 0.000 1.004 410 L CA -0.754 54.042 54.840 -0.074 0.000 0.823 410 L CB 1.643 43.524 42.059 -0.297 0.000 1.236 410 L HN 0.639 nan 8.230 nan 0.000 0.415 411 A N 6.715 129.566 122.820 0.052 0.000 2.273 411 A HA 0.802 5.123 4.320 0.001 0.000 0.315 411 A C -1.015 176.638 177.584 0.115 0.000 1.256 411 A CA -0.483 51.615 52.037 0.102 0.000 0.851 411 A CB 0.332 19.459 19.000 0.213 0.000 1.172 411 A HN 0.742 nan 8.150 nan 0.000 0.508 412 L N 1.481 122.783 121.223 0.131 0.000 2.235 412 L HA 0.832 5.172 4.340 0.001 0.000 0.260 412 L C -0.384 176.681 176.870 0.324 0.000 1.025 412 L CA -1.156 53.823 54.840 0.232 0.000 0.836 412 L CB 1.737 43.901 42.059 0.176 0.000 1.395 412 L HN 0.855 nan 8.230 nan 0.000 0.443 413 Y N -0.943 119.450 120.300 0.154 0.000 2.655 413 Y HA 0.823 5.373 4.550 0.001 0.000 0.336 413 Y C -0.646 175.331 175.900 0.130 0.000 1.154 413 Y CA -0.425 57.751 58.100 0.125 0.000 1.055 413 Y CB 1.737 40.286 38.460 0.149 0.000 1.295 413 Y HN 0.724 nan 8.280 nan 0.000 0.465 414 S N -1.160 114.473 115.700 -0.112 0.000 2.862 414 S HA 0.203 4.674 4.470 0.001 0.000 0.300 414 S C 0.389 174.958 174.600 -0.052 0.000 1.240 414 S CA -0.258 57.825 58.200 -0.196 0.000 1.025 414 S CB 0.478 63.653 63.200 -0.042 0.000 1.340 414 S HN 1.287 nan 8.310 nan 0.000 0.544 415 T N -0.513 114.025 114.554 -0.026 0.000 3.007 415 T HA 0.074 4.425 4.350 0.001 0.000 0.270 415 T C 1.379 176.080 174.700 0.001 0.000 1.107 415 T CA 1.017 63.120 62.100 0.004 0.000 1.118 415 T CB -0.472 68.404 68.868 0.013 0.000 0.889 415 T HN 0.588 nan 8.240 nan 0.000 0.506 416 R N -0.083 120.414 120.500 -0.005 0.000 2.142 416 R HA 0.365 4.705 4.340 0.001 0.000 0.204 416 R C 0.193 176.462 176.300 -0.052 0.000 1.059 416 R CA 0.163 56.249 56.100 -0.024 0.000 1.055 416 R CB 0.347 30.633 30.300 -0.024 0.000 0.976 416 R HN 0.331 nan 8.270 nan 0.000 0.483 417 I N 1.351 121.910 120.570 -0.019 0.000 2.404 417 I HA 0.230 4.401 4.170 0.001 0.000 0.293 417 I C 0.136 176.280 176.117 0.045 0.000 0.992 417 I CA -0.524 60.755 61.300 -0.034 0.000 1.149 417 I CB 1.771 39.783 38.000 0.020 0.000 1.315 417 I HN -0.016 nan 8.210 nan 0.000 0.446 418 S N 3.092 118.702 115.700 -0.151 0.000 2.585 418 S HA 0.076 4.546 4.470 0.001 0.000 0.273 418 S C 1.494 176.151 174.600 0.096 0.000 1.339 418 S CA -0.238 57.915 58.200 -0.078 0.000 1.028 418 S CB 1.041 63.967 63.200 -0.457 0.000 0.906 418 S HN 0.791 nan 8.310 nan 0.000 0.528 419 S N 1.210 116.898 115.700 -0.021 0.000 2.374 419 S HA -0.111 4.360 4.470 0.001 0.000 0.227 419 S C 0.242 174.958 174.600 0.192 0.000 1.037 419 S CA 1.427 59.483 58.200 -0.241 0.000 1.024 419 S CB -0.710 62.301 63.200 -0.314 0.000 0.861 419 S HN 0.949 nan 8.310 nan 0.000 0.456 420 Y N -1.207 119.137 120.300 0.073 0.000 2.765 420 Y HA 0.682 5.232 4.550 0.001 0.000 0.350 420 Y C -1.283 174.722 175.900 0.174 0.000 1.196 420 Y CA -1.623 56.522 58.100 0.074 0.000 1.119 420 Y CB 0.478 38.876 38.460 -0.105 0.000 1.368 420 Y HN 0.173 nan 8.280 nan 0.000 0.463 421 E N 1.341 121.386 120.200 -0.258 0.000 2.171 421 E HA 0.656 5.006 4.350 0.001 0.000 0.271 421 E C -1.542 174.863 176.600 -0.327 0.000 0.916 421 E CA -0.828 55.184 56.400 -0.647 0.000 0.774 421 E CB 1.718 30.603 29.700 -1.358 0.000 1.128 421 E HN 0.721 nan 8.360 nan 0.000 0.403 422 S N 5.750 121.283 115.700 -0.278 0.000 2.721 422 S HA 0.452 4.922 4.470 0.001 0.000 0.264 422 S C -0.843 173.714 174.600 -0.071 0.000 1.161 422 S CA -0.666 57.464 58.200 -0.116 0.000 1.113 422 S CB -0.080 63.109 63.200 -0.018 0.000 1.079 422 S HN 0.547 nan 8.310 nan 0.000 0.479 423 I N 0.880 121.427 120.570 -0.037 0.000 3.174 423 I HA 0.660 4.831 4.170 0.001 0.000 0.313 423 I C -0.362 175.776 176.117 0.035 0.000 1.155 423 I CA -1.177 60.132 61.300 0.015 0.000 0.977 423 I CB 1.556 39.584 38.000 0.047 0.000 1.248 423 I HN 0.433 nan 8.210 nan 0.000 0.453 424 N N 1.454 120.201 118.700 0.079 0.000 2.710 424 N HA -0.226 4.514 4.740 0.001 0.000 0.249 424 N C 0.210 175.760 175.510 0.066 0.000 1.059 424 N CA 1.330 54.448 53.050 0.114 0.000 0.720 424 N CB -1.402 37.161 38.487 0.128 0.000 0.983 424 N HN 0.831 nan 8.380 nan 0.000 0.544 425 S N -2.539 113.182 115.700 0.035 0.000 3.490 425 S HA -0.240 4.231 4.470 0.001 0.000 0.301 425 S C 0.012 174.613 174.600 0.002 0.000 1.233 425 S CA 1.304 59.516 58.200 0.019 0.000 0.914 425 S CB -0.829 62.388 63.200 0.030 0.000 1.047 425 S HN 0.657 nan 8.310 nan 0.000 0.602 426 E N 1.101 121.293 120.200 -0.013 0.000 2.191 426 E HA 0.460 4.810 4.350 0.001 0.000 0.274 426 E C 0.611 177.164 176.600 -0.077 0.000 0.948 426 E CA -0.765 55.611 56.400 -0.041 0.000 0.802 426 E CB 0.783 30.452 29.700 -0.051 0.000 1.137 426 E HN 0.364 nan 8.360 nan 0.000 0.397 427 N N 1.523 120.153 118.700 -0.116 0.000 2.740 427 N HA -0.201 4.540 4.740 0.001 0.000 0.248 427 N C 0.687 176.069 175.510 -0.212 0.000 1.062 427 N CA 0.128 53.066 53.050 -0.186 0.000 0.704 427 N CB -0.535 37.847 38.487 -0.175 0.000 0.968 427 N HN 0.795 nan 8.380 nan 0.000 0.547 428 G N -0.149 108.516 108.800 -0.225 0.000 2.509 428 G HA2 -0.161 3.799 3.960 0.001 0.000 0.218 428 G HA3 -0.161 3.799 3.960 0.001 0.000 0.218 428 G C 1.184 175.660 174.900 -0.707 0.000 1.124 428 G CA 0.518 45.463 45.100 -0.259 0.000 0.776 428 G HN 0.485 nan 8.290 nan 0.000 0.547 429 R N 0.089 120.017 120.500 -0.954 0.000 2.696 429 R HA 0.221 4.561 4.340 0.001 0.000 0.355 429 R C 1.691 177.131 176.300 -1.433 0.000 1.138 429 R CA 0.124 55.118 56.100 -1.842 0.000 1.059 429 R CB 0.776 30.335 30.300 -1.235 0.000 1.380 429 R HN 0.165 nan 8.270 nan 0.000 0.578 430 G N -0.041 108.043 108.800 -1.195 0.000 3.026 430 G HA2 -0.100 3.861 3.960 0.001 0.000 0.208 430 G HA3 -0.100 3.861 3.960 0.001 0.000 0.208 430 G C 0.703 174.898 174.900 -1.174 0.000 1.169 430 G CA -0.353 44.217 45.100 -0.883 0.000 0.788 430 G HN 0.304 nan 8.290 nan 0.000 0.533 431 W N 0.853 121.349 121.300 -1.340 0.000 2.288 431 W HA -0.244 4.416 4.660 0.001 0.000 0.346 431 W C 1.227 177.179 176.519 -0.944 0.000 1.402 431 W CA 1.216 57.740 57.345 -1.369 0.000 1.311 431 W CB -1.182 27.606 29.460 -1.120 0.000 1.100 431 W HN 0.389 nan 8.180 nan 0.000 0.468 432 Y N 0.471 120.771 120.300 0.000 0.000 2.571 432 Y HA 0.083 4.633 4.550 0.001 0.000 0.275 432 Y C 2.209 178.173 175.900 0.108 0.000 1.179 432 Y CA 0.876 59.021 58.100 0.074 0.000 1.242 432 Y CB -1.031 37.505 38.460 0.126 0.000 1.126 432 Y HN -0.063 nan 8.280 nan 0.000 0.524 433 T N -4.016 110.624 114.554 0.143 0.000 3.051 433 T HA 0.018 4.369 4.350 0.001 0.000 0.269 433 T C 1.606 176.467 174.700 0.270 0.000 1.127 433 T CA 1.118 63.358 62.100 0.232 0.000 1.107 433 T CB -0.093 68.811 68.868 0.059 0.000 0.898 433 T HN 0.414 nan 8.240 nan 0.000 0.517 434 G N -0.058 108.874 108.800 0.220 0.000 4.424 434 G HA2 0.559 4.519 3.960 0.001 0.000 0.287 434 G HA3 0.559 4.519 3.960 0.001 0.000 0.287 434 G C 0.238 175.337 174.900 0.332 0.000 1.023 434 G CA -0.056 45.187 45.100 0.239 0.000 0.790 434 G HN 0.590 nan 8.290 nan 0.000 0.468 435 A N 0.363 123.416 122.820 0.388 0.000 3.232 435 A HA 0.619 4.940 4.320 0.001 0.000 0.312 435 A C 1.369 179.248 177.584 0.492 0.000 1.185 435 A CA 0.225 52.596 52.037 0.557 0.000 1.011 435 A CB -0.564 18.858 19.000 0.703 0.000 1.096 435 A HN 1.587 nan 8.150 nan 0.000 0.543 436 G N -0.261 108.777 108.800 0.397 0.000 2.182 436 G HA2 0.138 4.099 3.960 0.001 0.000 0.248 436 G HA3 0.138 4.099 3.960 0.001 0.000 0.248 436 G C 0.370 175.447 174.900 0.294 0.000 1.042 436 G CA 0.257 45.598 45.100 0.401 0.000 0.775 436 G HN 1.875 nan 8.290 nan 0.000 0.501 437 A N 0.413 123.334 122.820 0.167 0.000 2.328 437 A HA 0.817 5.137 4.320 0.001 0.000 0.284 437 A C 0.773 178.313 177.584 -0.072 0.000 1.160 437 A CA 0.721 52.797 52.037 0.066 0.000 0.818 437 A CB 0.532 19.585 19.000 0.088 0.000 1.087 437 A HN 1.701 nan 8.150 nan 0.000 0.504 438 T N 0.000 114.475 114.554 -0.132 0.000 2.794 438 T HA 0.642 4.992 4.350 0.001 0.000 0.280 438 T C -0.963 173.584 174.700 -0.256 0.000 0.987 438 T CA -0.316 61.735 62.100 -0.082 0.000 0.993 438 T CB 0.546 69.473 68.868 0.097 0.000 0.939 438 T HN 0.368 nan 8.240 nan 0.000 0.449 439 Y N 2.130 122.453 120.300 0.039 0.000 2.326 439 Y HA 0.586 5.136 4.550 0.001 0.000 0.331 439 Y C -0.410 175.459 175.900 -0.052 0.000 0.962 439 Y CA -1.448 56.617 58.100 -0.058 0.000 1.167 439 Y CB 1.639 39.976 38.460 -0.205 0.000 1.148 439 Y HN 0.646 nan 8.280 nan 0.000 0.463 440 L N 4.917 126.156 121.223 0.026 0.000 2.282 440 L HA 0.546 4.887 4.340 0.001 0.000 0.288 440 L C -1.713 175.028 176.870 -0.214 0.000 1.033 440 L CA -0.882 53.956 54.840 -0.003 0.000 0.807 440 L CB 0.242 42.304 42.059 0.006 0.000 1.209 440 L HN 0.464 nan 8.230 nan 0.000 0.423 441 Y N 5.242 125.549 120.300 0.013 0.000 2.335 441 Y HA 0.507 5.058 4.550 0.001 0.000 0.338 441 Y C 0.432 176.145 175.900 -0.310 0.000 0.977 441 Y CA -0.493 57.503 58.100 -0.174 0.000 1.114 441 Y CB 1.193 39.400 38.460 -0.421 0.000 1.182 441 Y HN 0.767 nan 8.280 nan 0.000 0.463 442 N N 0.272 118.996 118.700 0.040 0.000 3.479 442 N HA 0.151 4.891 4.740 0.001 0.000 0.336 442 N C 0.290 175.977 175.510 0.295 0.000 1.623 442 N CA -0.751 52.395 53.050 0.160 0.000 0.759 442 N CB 0.726 39.274 38.487 0.102 0.000 2.016 442 N HN 0.355 nan 8.380 nan 0.000 0.637 443 Q N 0.503 120.446 119.800 0.238 0.000 2.368 443 Q HA -0.090 4.251 4.340 0.001 0.000 0.210 443 Q C -0.462 175.630 176.000 0.153 0.000 0.982 443 Q CA 1.240 57.169 55.803 0.210 0.000 0.884 443 Q CB -0.776 28.055 28.738 0.155 0.000 0.933 443 Q HN 0.552 nan 8.270 nan 0.000 0.460 444 D N -0.258 120.202 120.400 0.099 0.000 2.551 444 D HA -0.010 4.631 4.640 0.001 0.000 0.223 444 D C 0.721 177.034 176.300 0.022 0.000 1.144 444 D CA -0.009 54.007 54.000 0.026 0.000 1.025 444 D CB -0.243 40.527 40.800 -0.051 0.000 1.085 444 D HN 0.275 nan 8.370 nan 0.000 0.506 445 L N 1.653 122.917 121.223 0.070 0.000 2.187 445 L HA -0.151 4.189 4.340 0.001 0.000 0.213 445 L C 2.102 178.814 176.870 -0.262 0.000 1.100 445 L CA 1.200 56.088 54.840 0.081 0.000 0.765 445 L CB -0.429 41.675 42.059 0.075 0.000 0.904 445 L HN 0.356 nan 8.230 nan 0.000 0.437 446 A N -0.802 121.752 122.820 -0.445 0.000 2.218 446 A HA -0.099 4.221 4.320 0.001 0.000 0.209 446 A C 2.087 179.460 177.584 -0.352 0.000 1.168 446 A CA 0.477 52.128 52.037 -0.643 0.000 0.804 446 A CB -0.129 18.649 19.000 -0.371 0.000 0.834 446 A HN 0.345 nan 8.150 nan 0.000 0.482 447 Q N -0.042 119.546 119.800 -0.352 0.000 2.103 447 Q HA -0.256 4.085 4.340 0.001 0.000 0.213 447 Q C 0.938 176.482 176.000 -0.761 0.000 1.008 447 Q CA 2.626 58.087 55.803 -0.571 0.000 0.879 447 Q CB -0.600 27.630 28.738 -0.847 0.000 0.946 447 Q HN 0.720 nan 8.270 nan 0.000 0.413 448 Y N -0.615 119.447 120.300 -0.397 0.000 2.457 448 Y HA 0.398 4.948 4.550 0.001 0.000 0.263 448 Y C 1.044 176.874 175.900 -0.116 0.000 1.164 448 Y CA 0.007 57.770 58.100 -0.563 0.000 1.274 448 Y CB 0.397 38.616 38.460 -0.402 0.000 1.097 448 Y HN -0.033 nan 8.280 nan 0.000 0.523 449 S N -0.817 114.916 115.700 0.054 0.000 2.561 449 S HA 0.182 4.652 4.470 0.001 0.000 0.282 449 S C 0.011 174.738 174.600 0.210 0.000 1.123 449 S CA -0.705 57.605 58.200 0.185 0.000 1.011 449 S CB 0.394 63.635 63.200 0.069 0.000 1.244 449 S HN 0.276 nan 8.310 nan 0.000 0.503 450 E N 0.997 121.375 120.200 0.297 0.000 2.228 450 E HA -0.218 4.132 4.350 0.001 0.000 0.213 450 E C -1.223 175.542 176.600 0.275 0.000 1.282 450 E CA 0.558 57.128 56.400 0.284 0.000 0.707 450 E CB -1.885 27.940 29.700 0.209 0.000 1.150 450 E HN 0.647 nan 8.360 nan 0.000 0.362 451 D N -2.402 118.265 120.400 0.445 0.000 2.723 451 D HA -0.282 4.358 4.640 0.001 0.000 0.236 451 D C 0.266 176.606 176.300 0.066 0.000 1.138 451 D CA 1.129 55.335 54.000 0.344 0.000 0.676 451 D CB -1.417 39.543 40.800 0.268 0.000 1.069 451 D HN 0.658 nan 8.370 nan 0.000 0.430 452 Y N -0.619 119.662 120.300 -0.032 0.000 2.184 452 Y HA -0.097 4.454 4.550 0.001 0.000 0.290 452 Y C 1.817 177.521 175.900 -0.325 0.000 1.129 452 Y CA 1.370 59.367 58.100 -0.172 0.000 1.144 452 Y CB -0.185 38.107 38.460 -0.279 0.000 0.995 452 Y HN 0.259 nan 8.280 nan 0.000 0.513 453 W N 1.441 122.751 121.300 0.017 0.000 2.374 453 W HA -0.090 4.571 4.660 0.001 0.000 0.288 453 W C -0.550 175.668 176.519 -0.501 0.000 1.218 453 W CA 0.965 58.178 57.345 -0.219 0.000 1.245 453 W CB -1.302 28.106 29.460 -0.087 0.000 1.126 453 W HN 0.207 nan 8.180 nan 0.000 0.545 454 P HA 0.056 nan 4.420 nan 0.000 0.251 454 P C 0.969 178.054 177.300 -0.357 0.000 1.223 454 P CA 1.551 64.310 63.100 -0.569 0.000 0.796 454 P CB 0.342 31.432 31.700 -1.016 0.000 1.068 455 T N -4.420 109.941 114.554 -0.322 0.000 2.964 455 T HA 0.131 4.481 4.350 0.001 0.000 0.249 455 T C 0.786 175.266 174.700 -0.367 0.000 1.000 455 T CA -0.071 61.903 62.100 -0.210 0.000 0.992 455 T CB -0.668 68.183 68.868 -0.029 0.000 1.087 455 T HN -0.122 nan 8.240 nan 0.000 0.489 456 V N 3.032 122.554 119.914 -0.653 0.000 2.963 456 V HA 0.245 4.365 4.120 0.001 0.000 0.306 456 V C -0.073 175.633 176.094 -0.647 0.000 1.077 456 V CA -0.276 61.356 62.300 -1.114 0.000 1.124 456 V CB 0.849 31.846 31.823 -1.377 0.000 0.987 456 V HN 0.505 nan 8.190 nan 0.000 0.487 457 D N 4.519 124.558 120.400 -0.602 0.000 2.346 457 D HA 0.254 4.895 4.640 0.001 0.000 0.260 457 D C 0.825 177.005 176.300 -0.199 0.000 1.252 457 D CA 0.550 54.368 54.000 -0.303 0.000 0.895 457 D CB 1.367 42.010 40.800 -0.261 0.000 1.097 457 D HN 0.687 nan 8.370 nan 0.000 0.489 458 A N 4.036 126.767 122.820 -0.148 0.000 2.070 458 A HA -0.192 4.128 4.320 0.001 0.000 0.220 458 A C 1.247 178.863 177.584 0.054 0.000 1.159 458 A CA 0.975 52.964 52.037 -0.080 0.000 0.656 458 A CB -0.547 18.336 19.000 -0.194 0.000 0.800 458 A HN 0.693 nan 8.150 nan 0.000 0.453 459 Y N -0.879 119.521 120.300 0.166 0.000 2.511 459 Y HA 0.182 4.732 4.550 0.001 0.000 0.279 459 Y C 1.170 177.044 175.900 -0.044 0.000 1.157 459 Y CA 0.430 58.600 58.100 0.117 0.000 1.300 459 Y CB 0.211 38.635 38.460 -0.060 0.000 1.052 459 Y HN 0.145 nan 8.280 nan 0.000 0.529 460 R N 0.685 121.200 120.500 0.025 0.000 2.748 460 R HA 0.250 4.590 4.340 0.001 0.000 0.283 460 R C -1.114 175.159 176.300 -0.046 0.000 1.507 460 R CA -0.309 55.738 56.100 -0.088 0.000 1.666 460 R CB 0.402 30.569 30.300 -0.222 0.000 1.237 460 R HN -0.014 nan 8.270 nan 0.000 0.633 461 I N 2.539 123.134 120.570 0.041 0.000 2.471 461 I HA 0.185 4.356 4.170 0.001 0.000 0.286 461 I C -1.963 174.173 176.117 0.032 0.000 1.079 461 I CA -3.097 58.242 61.300 0.066 0.000 1.398 461 I CB 0.563 38.667 38.000 0.173 0.000 1.403 461 I HN -0.010 nan 8.210 nan 0.000 0.530 462 P HA 0.057 nan 4.420 nan 0.000 0.263 462 P C 0.907 178.264 177.300 0.095 0.000 1.175 462 P CA 0.978 64.099 63.100 0.034 0.000 0.761 462 P CB 0.503 32.213 31.700 0.016 0.000 0.794 463 G N 1.507 110.423 108.800 0.194 0.000 2.267 463 G HA2 -0.253 3.707 3.960 0.001 0.000 0.257 463 G HA3 -0.253 3.707 3.960 0.001 0.000 0.257 463 G C 0.441 175.552 174.900 0.351 0.000 0.998 463 G CA 0.485 45.809 45.100 0.372 0.000 0.620 463 G HN 0.827 nan 8.290 nan 0.000 0.529 464 T N -1.025 113.665 114.554 0.227 0.000 2.882 464 T HA 0.588 4.938 4.350 0.001 0.000 0.287 464 T C -0.007 174.775 174.700 0.137 0.000 1.014 464 T CA 0.654 62.885 62.100 0.219 0.000 1.049 464 T CB 1.986 70.946 68.868 0.153 0.000 1.001 464 T HN 0.388 nan 8.240 nan 0.000 0.525 465 T N 2.059 116.723 114.554 0.184 0.000 2.786 465 T HA 0.628 4.978 4.350 0.001 0.000 0.283 465 T C -0.147 174.669 174.700 0.194 0.000 0.992 465 T CA -0.559 61.652 62.100 0.185 0.000 0.954 465 T CB 0.828 69.843 68.868 0.245 0.000 0.934 465 T HN 1.004 nan 8.240 nan 0.000 0.440 466 V N 0.214 120.173 119.914 0.075 0.000 3.202 466 V HA 1.016 5.137 4.120 0.001 0.000 0.306 466 V C -0.797 175.309 176.094 0.019 0.000 1.283 466 V CA -1.660 60.656 62.300 0.026 0.000 1.065 466 V CB 1.502 33.009 31.823 -0.527 0.000 1.079 466 V HN 0.906 nan 8.190 nan 0.000 0.448 467 A N 1.051 123.834 122.820 -0.063 0.000 2.309 467 A HA 0.667 4.988 4.320 0.001 0.000 0.290 467 A C 0.495 177.898 177.584 -0.302 0.000 1.206 467 A CA 0.218 52.074 52.037 -0.300 0.000 0.850 467 A CB 0.223 18.683 19.000 -0.900 0.000 1.118 467 A HN 1.485 nan 8.150 nan 0.000 0.523 468 S N 2.073 117.618 115.700 -0.259 0.000 2.642 468 S HA 0.289 4.760 4.470 0.001 0.000 0.308 468 S C 1.579 175.929 174.600 -0.417 0.000 1.255 468 S CA 1.324 59.341 58.200 -0.306 0.000 1.057 468 S CB -0.226 62.822 63.200 -0.254 0.000 0.785 468 S HN 2.372 nan 8.310 nan 0.000 0.500 469 G N 3.996 112.468 108.800 -0.546 0.000 2.296 469 G HA2 -0.236 3.724 3.960 0.001 0.000 0.282 469 G HA3 -0.236 3.724 3.960 0.001 0.000 0.282 469 G C 0.125 174.322 174.900 -1.173 0.000 1.014 469 G CA 0.727 45.190 45.100 -1.061 0.000 0.812 469 G HN 0.868 nan 8.290 nan 0.000 0.508 470 T N 1.864 116.028 114.554 -0.649 0.000 2.829 470 T HA 0.644 4.994 4.350 0.001 0.000 0.280 470 T C -2.137 172.509 174.700 -0.091 0.000 0.999 470 T CA -0.932 60.932 62.100 -0.393 0.000 0.983 470 T CB 3.281 71.891 68.868 -0.429 0.000 0.968 470 T HN 0.161 nan 8.240 nan 0.000 0.446 471 P HA 0.630 nan 4.420 nan 0.000 0.281 471 P C -0.786 176.327 177.300 -0.310 0.000 1.281 471 P CA -0.767 61.895 63.100 -0.731 0.000 0.811 471 P CB 1.067 32.018 31.700 -1.249 0.000 1.154 472 I N -3.798 116.518 120.570 -0.423 0.000 3.239 472 I HA 0.835 5.006 4.170 0.001 0.000 0.314 472 I C -0.670 175.481 176.117 0.057 0.000 1.126 472 I CA -1.679 59.508 61.300 -0.189 0.000 0.973 472 I CB 1.784 39.575 38.000 -0.349 0.000 1.252 472 I HN 0.267 nan 8.210 nan 0.000 0.463 473 A N 1.460 124.338 122.820 0.096 0.000 2.271 473 A HA 0.577 4.897 4.320 0.001 0.000 0.288 473 A C 0.036 177.722 177.584 0.170 0.000 1.094 473 A CA -0.379 51.757 52.037 0.165 0.000 0.828 473 A CB 0.844 19.898 19.000 0.090 0.000 1.091 473 A HN 0.762 nan 8.150 nan 0.000 0.493 474 S N -0.135 115.552 115.700 -0.022 0.000 2.439 474 S HA 0.597 5.067 4.470 0.001 0.000 0.282 474 S C 0.173 174.713 174.600 -0.099 0.000 1.170 474 S CA 0.468 58.447 58.200 -0.369 0.000 1.054 474 S CB -0.459 62.365 63.200 -0.626 0.000 0.956 474 S HN 2.155 nan 8.310 nan 0.000 0.490 475 G N 2.885 111.659 108.800 -0.044 0.000 2.320 475 G HA2 0.328 4.288 3.960 0.001 0.000 0.297 475 G HA3 0.328 4.288 3.960 0.001 0.000 0.297 475 G C -0.527 174.419 174.900 0.076 0.000 1.344 475 G CA -0.230 44.873 45.100 0.005 0.000 0.851 475 G HN 0.948 nan 8.290 nan 0.000 0.567 476 T N -1.071 113.528 114.554 0.076 0.000 2.828 476 T HA 0.655 5.005 4.350 0.001 0.000 0.290 476 T C 1.123 175.971 174.700 0.248 0.000 1.019 476 T CA 0.526 62.725 62.100 0.164 0.000 1.031 476 T CB 1.442 70.340 68.868 0.050 0.000 1.001 476 T HN 1.613 nan 8.240 nan 0.000 0.531 477 G N -0.443 108.500 108.800 0.237 0.000 2.532 477 G HA2 0.470 4.430 3.960 0.001 0.000 0.291 477 G HA3 0.470 4.430 3.960 0.001 0.000 0.291 477 G C 0.738 175.667 174.900 0.048 0.000 1.349 477 G CA -0.177 45.011 45.100 0.147 0.000 1.038 477 G HN 1.003 nan 8.290 nan 0.000 0.518 478 T N -2.858 111.710 114.554 0.023 0.000 3.085 478 T HA 0.356 4.706 4.350 0.001 0.000 0.264 478 T C 0.473 175.180 174.700 0.012 0.000 1.019 478 T CA -0.135 61.979 62.100 0.022 0.000 0.910 478 T CB 0.115 69.001 68.868 0.030 0.000 1.059 478 T HN 0.248 nan 8.240 nan 0.000 0.542 479 S N 1.566 117.258 115.700 -0.015 0.000 2.475 479 S HA 0.486 4.956 4.470 0.001 0.000 0.298 479 S C 1.070 175.703 174.600 0.055 0.000 1.119 479 S CA -0.564 57.650 58.200 0.023 0.000 1.085 479 S CB 1.823 65.017 63.200 -0.009 0.000 1.028 479 S HN 0.502 nan 8.310 nan 0.000 0.489 480 S N 1.229 117.000 115.700 0.117 0.000 2.486 480 S HA 0.047 4.517 4.470 0.001 0.000 0.220 480 S C 0.324 175.047 174.600 0.204 0.000 1.011 480 S CA -0.509 57.759 58.200 0.114 0.000 0.921 480 S CB -0.349 62.898 63.200 0.080 0.000 0.785 480 S HN 0.809 nan 8.310 nan 0.000 0.517 481 W N 3.444 124.799 121.300 0.092 0.000 2.160 481 W HA 0.362 5.023 4.660 0.001 0.000 0.464 481 W C -0.918 175.713 176.519 0.186 0.000 0.914 481 W CA -0.069 57.373 57.345 0.161 0.000 1.742 481 W CB -0.353 29.287 29.460 0.300 0.000 1.780 481 W HN 0.068 nan 8.180 nan 0.000 0.307 482 T N 2.896 117.777 114.554 0.546 0.000 2.928 482 T HA 0.689 5.040 4.350 0.001 0.000 0.296 482 T C 0.124 175.002 174.700 0.296 0.000 1.000 482 T CA 0.053 62.440 62.100 0.478 0.000 0.989 482 T CB 1.522 70.530 68.868 0.233 0.000 1.005 482 T HN 0.570 nan 8.240 nan 0.000 0.442 483 G N 1.440 110.462 108.800 0.370 0.000 2.347 483 G HA2 0.529 4.490 3.960 0.001 0.000 0.224 483 G HA3 0.529 4.490 3.960 0.001 0.000 0.224 483 G C -0.465 174.592 174.900 0.261 0.000 1.318 483 G CA 0.254 45.473 45.100 0.197 0.000 1.016 483 G HN 1.272 nan 8.290 nan 0.000 0.469 484 G N -2.262 106.621 108.800 0.138 0.000 2.340 484 G HA2 0.648 4.609 3.960 0.001 0.000 0.299 484 G HA3 0.648 4.609 3.960 0.001 0.000 0.299 484 G C -1.718 173.270 174.900 0.147 0.000 1.291 484 G CA 0.692 45.903 45.100 0.186 0.000 0.841 484 G HN 1.919 nan 8.290 nan 0.000 0.500 485 V N -0.223 119.803 119.914 0.188 0.000 2.769 485 V HA 0.846 4.967 4.120 0.001 0.000 0.312 485 V C -0.177 176.060 176.094 0.238 0.000 1.061 485 V CA 0.005 62.416 62.300 0.185 0.000 0.931 485 V CB 1.869 33.797 31.823 0.176 0.000 1.010 485 V HN 1.543 nan 8.190 nan 0.000 0.433 486 S N 5.871 121.710 115.700 0.232 0.000 2.478 486 S HA 0.604 5.075 4.470 0.001 0.000 0.312 486 S C -1.035 173.667 174.600 0.170 0.000 1.094 486 S CA -0.600 57.763 58.200 0.272 0.000 1.081 486 S CB 1.312 64.664 63.200 0.253 0.000 1.007 486 S HN 0.864 nan 8.310 nan 0.000 0.475 487 L N 5.880 127.197 121.223 0.156 0.000 2.270 487 L HA 0.659 5.000 4.340 0.001 0.000 0.286 487 L C 0.843 177.740 176.870 0.045 0.000 1.059 487 L CA 0.847 55.781 54.840 0.156 0.000 0.839 487 L CB 0.037 42.252 42.059 0.259 0.000 1.221 487 L HN 1.169 nan 8.230 nan 0.000 0.431 488 A N 3.847 126.595 122.820 -0.120 0.000 2.771 488 A HA -0.095 4.226 4.320 0.001 0.000 0.294 488 A C 1.591 179.118 177.584 -0.095 0.000 1.500 488 A CA 1.243 53.155 52.037 -0.208 0.000 0.829 488 A CB -2.265 16.590 19.000 -0.240 0.000 0.998 488 A HN 2.277 nan 8.150 nan 0.000 0.526 489 G N -2.361 106.423 108.800 -0.026 0.000 2.212 489 G HA2 -0.383 3.577 3.960 0.001 0.000 0.267 489 G HA3 -0.383 3.577 3.960 0.001 0.000 0.267 489 G C 0.534 175.420 174.900 -0.024 0.000 1.002 489 G CA 1.514 46.616 45.100 0.003 0.000 0.729 489 G HN 1.144 nan 8.290 nan 0.000 0.517 490 Q N -2.156 117.581 119.800 -0.104 0.000 2.471 490 Q HA 0.361 4.701 4.340 0.001 0.000 0.241 490 Q C 0.427 176.082 176.000 -0.575 0.000 0.886 490 Q CA 0.595 56.169 55.803 -0.381 0.000 0.953 490 Q CB 0.787 29.180 28.738 -0.575 0.000 1.108 490 Q HN 0.651 nan 8.270 nan 0.000 0.575 491 Y N -1.063 119.294 120.300 0.096 0.000 2.638 491 Y HA 0.741 5.292 4.550 0.001 0.000 0.339 491 Y C 0.236 175.926 175.900 -0.351 0.000 1.084 491 Y CA -1.178 56.917 58.100 -0.008 0.000 1.068 491 Y CB 2.383 40.919 38.460 0.126 0.000 1.294 491 Y HN -0.036 nan 8.280 nan 0.000 0.480 492 G N -0.275 108.153 108.800 -0.620 0.000 2.506 492 G HA2 0.679 4.640 3.960 0.001 0.000 0.292 492 G HA3 0.679 4.640 3.960 0.001 0.000 0.292 492 G C -2.246 172.270 174.900 -0.639 0.000 1.425 492 G CA -0.400 44.034 45.100 -1.109 0.000 0.788 492 G HN 0.870 nan 8.290 nan 0.000 0.490 493 A N -0.346 122.313 122.820 -0.269 0.000 2.520 493 A HA 0.921 5.241 4.320 0.001 0.000 0.298 493 A C -0.360 177.270 177.584 0.078 0.000 1.051 493 A CA -0.284 51.681 52.037 -0.119 0.000 0.690 493 A CB 1.744 20.706 19.000 -0.063 0.000 1.281 493 A HN 1.302 nan 8.150 nan 0.000 0.402 494 S N -0.687 115.088 115.700 0.124 0.000 2.709 494 S HA 0.975 5.446 4.470 0.001 0.000 0.302 494 S C -0.027 174.804 174.600 0.386 0.000 1.127 494 S CA -0.123 58.266 58.200 0.315 0.000 0.905 494 S CB 2.107 65.510 63.200 0.339 0.000 1.151 494 S HN 1.846 nan 8.310 nan 0.000 0.510 495 G N 0.514 109.647 108.800 0.555 0.000 2.703 495 G HA2 0.595 4.555 3.960 0.001 0.000 0.294 495 G HA3 0.595 4.555 3.960 0.001 0.000 0.294 495 G C -1.843 173.449 174.900 0.653 0.000 1.451 495 G CA -0.536 44.866 45.100 0.503 0.000 0.869 495 G HN 0.585 nan 8.290 nan 0.000 0.516 496 M N 1.859 121.812 119.600 0.588 0.000 2.224 496 M HA 0.360 4.841 4.480 0.001 0.000 0.281 496 M C -1.901 174.415 176.300 0.027 0.000 1.025 496 M CA -0.703 54.834 55.300 0.396 0.000 0.954 496 M CB 2.102 34.948 32.600 0.410 0.000 1.639 496 M HN 0.494 nan 8.290 nan 0.000 0.461 497 D N 4.561 124.951 120.400 -0.016 0.000 2.336 497 D HA 0.232 4.873 4.640 0.001 0.000 0.249 497 D C -1.128 175.027 176.300 -0.243 0.000 1.213 497 D CA 0.084 53.876 54.000 -0.347 0.000 0.870 497 D CB 0.821 41.566 40.800 -0.091 0.000 1.076 497 D HN 0.558 nan 8.370 nan 0.000 0.483 498 L N 3.592 124.623 121.223 -0.321 0.000 2.289 498 L HA 0.504 4.844 4.340 0.001 0.000 0.285 498 L C -0.802 175.885 176.870 -0.305 0.000 1.049 498 L CA -0.178 54.481 54.840 -0.303 0.000 0.804 498 L CB 1.186 43.062 42.059 -0.306 0.000 1.195 498 L HN 0.366 nan 8.230 nan 0.000 0.428 499 S N 4.268 119.792 115.700 -0.293 0.000 2.357 499 S HA 0.322 4.793 4.470 0.001 0.000 0.209 499 S C -1.014 173.540 174.600 -0.077 0.000 0.981 499 S CA -0.513 57.579 58.200 -0.181 0.000 1.106 499 S CB 0.069 63.211 63.200 -0.097 0.000 1.266 499 S HN 0.482 nan 8.310 nan 0.000 0.410 500 Y N 1.465 121.765 120.300 0.000 0.000 2.457 500 Y HA 0.373 4.923 4.550 0.001 0.000 0.341 500 Y C 1.748 177.582 175.900 -0.111 0.000 1.240 500 Y CA 0.743 58.804 58.100 -0.066 0.000 1.437 500 Y CB 0.570 38.812 38.460 -0.364 0.000 1.328 500 Y HN 0.638 nan 8.280 nan 0.000 0.588 501 G N 0.368 109.237 108.800 0.115 0.000 2.545 501 G HA2 0.059 4.020 3.960 0.001 0.000 0.212 501 G HA3 0.059 4.020 3.960 0.001 0.000 0.212 501 G C 1.601 176.503 174.900 0.002 0.000 1.144 501 G CA 0.518 45.651 45.100 0.056 0.000 0.813 501 G HN 0.758 nan 8.290 nan 0.000 0.531 502 A N -0.191 122.587 122.820 -0.070 0.000 1.978 502 A HA 0.312 4.633 4.320 0.001 0.000 0.220 502 A C 0.819 178.452 177.584 0.082 0.000 1.170 502 A CA 1.498 53.522 52.037 -0.021 0.000 0.636 502 A CB -0.465 18.520 19.000 -0.026 0.000 0.810 502 A HN 0.856 nan 8.150 nan 0.000 0.448 503 Y N -4.222 116.141 120.300 0.105 0.000 2.725 503 Y HA 0.595 5.145 4.550 0.001 0.000 0.333 503 Y C -0.836 175.142 175.900 0.131 0.000 1.242 503 Y CA -2.145 56.008 58.100 0.088 0.000 1.059 503 Y CB 0.035 38.529 38.460 0.056 0.000 1.306 503 Y HN -0.043 nan 8.280 nan 0.000 0.454 504 N N 1.135 120.051 118.700 0.361 0.000 2.430 504 N HA 0.492 5.233 4.740 0.001 0.000 0.265 504 N C -1.664 174.046 175.510 0.333 0.000 1.100 504 N CA -0.061 53.137 53.050 0.246 0.000 0.961 504 N CB 0.605 39.185 38.487 0.154 0.000 1.075 504 N HN 0.834 nan 8.380 nan 0.000 0.478 505 L N 2.848 124.207 121.223 0.227 0.000 3.111 505 L HA 0.338 4.678 4.340 0.001 0.000 0.259 505 L C -1.352 175.534 176.870 0.026 0.000 0.946 505 L CA -0.138 54.829 54.840 0.211 0.000 1.119 505 L CB 0.770 43.125 42.059 0.493 0.000 1.698 505 L HN 0.610 nan 8.230 nan 0.000 0.540 506 S N 3.256 118.935 115.700 -0.035 0.000 2.600 506 S HA 1.097 5.567 4.470 0.001 0.000 0.300 506 S C -0.419 174.078 174.600 -0.171 0.000 1.087 506 S CA -0.077 58.044 58.200 -0.132 0.000 0.965 506 S CB 2.265 65.394 63.200 -0.118 0.000 1.089 506 S HN 1.964 nan 8.310 nan 0.000 0.496 507 A N 1.158 123.821 122.820 -0.262 0.000 2.549 507 A HA 0.715 5.036 4.320 0.001 0.000 0.291 507 A C -1.703 175.574 177.584 -0.513 0.000 1.034 507 A CA -1.060 50.784 52.037 -0.322 0.000 0.655 507 A CB 0.990 19.857 19.000 -0.221 0.000 1.299 507 A HN 0.662 nan 8.150 nan 0.000 0.427 508 R N 1.183 121.292 120.500 -0.652 0.000 2.265 508 R HA 0.525 4.866 4.340 0.001 0.000 0.328 508 R C -1.115 174.769 176.300 -0.694 0.000 0.969 508 R CA -0.240 55.210 56.100 -1.085 0.000 0.832 508 R CB 1.184 30.695 30.300 -1.316 0.000 1.139 508 R HN 0.653 nan 8.270 nan 0.000 0.457 509 K N 1.272 121.329 120.400 -0.572 0.000 2.376 509 K HA 0.485 4.805 4.320 0.001 0.000 0.257 509 K C -0.579 175.723 176.600 -0.497 0.000 0.939 509 K CA -0.401 55.597 56.287 -0.480 0.000 0.809 509 K CB 2.267 34.574 32.500 -0.321 0.000 1.121 509 K HN 0.397 nan 8.250 nan 0.000 0.425 510 S N 1.461 116.733 115.700 -0.713 0.000 2.599 510 S HA 0.563 5.034 4.470 0.001 0.000 0.287 510 S C -1.408 172.628 174.600 -0.940 0.000 1.105 510 S CA -0.911 56.927 58.200 -0.604 0.000 0.899 510 S CB 1.264 64.266 63.200 -0.330 0.000 1.100 510 S HN 0.437 nan 8.310 nan 0.000 0.482 511 W N 1.464 122.507 121.300 -0.429 0.000 2.998 511 W HA 0.500 5.161 4.660 0.001 0.000 0.335 511 W C -1.992 174.129 176.519 -0.663 0.000 1.110 511 W CA -0.712 56.435 57.345 -0.331 0.000 1.230 511 W CB 1.339 30.745 29.460 -0.090 0.000 1.405 511 W HN 0.512 nan 8.180 nan 0.000 0.493 512 F N 2.867 122.806 119.950 -0.018 0.000 2.460 512 F HA 0.383 4.910 4.527 0.001 0.000 0.341 512 F C 0.012 175.459 175.800 -0.589 0.000 1.130 512 F CA -0.962 56.837 58.000 -0.335 0.000 0.962 512 F CB 1.339 40.075 39.000 -0.440 0.000 1.171 512 F HN -0.104 nan 8.300 nan 0.000 0.436 513 M N 4.927 124.319 119.600 -0.348 0.000 2.063 513 M HA 0.424 4.904 4.480 0.001 0.000 0.348 513 M C -0.737 175.499 176.300 -0.107 0.000 1.180 513 M CA 0.050 55.242 55.300 -0.180 0.000 1.059 513 M CB 0.244 32.889 32.600 0.077 0.000 1.544 513 M HN 0.462 nan 8.290 nan 0.000 0.447 514 F N -0.294 119.824 119.950 0.280 0.000 2.690 514 F HA 0.398 4.926 4.527 0.001 0.000 0.332 514 F C 1.445 177.486 175.800 0.402 0.000 1.215 514 F CA -1.139 57.029 58.000 0.281 0.000 1.086 514 F CB 0.401 39.473 39.000 0.120 0.000 1.828 514 F HN 0.418 nan 8.300 nan 0.000 0.519 515 D N 0.272 121.025 120.400 0.589 0.000 2.088 515 D HA -0.130 4.511 4.640 0.001 0.000 0.196 515 D C 0.703 177.281 176.300 0.462 0.000 0.983 515 D CA 1.904 56.190 54.000 0.476 0.000 0.846 515 D CB -0.438 40.569 40.800 0.345 0.000 0.992 515 D HN 0.517 nan 8.370 nan 0.000 0.448 516 D N -0.597 120.034 120.400 0.385 0.000 2.720 516 D HA 0.152 4.792 4.640 0.001 0.000 0.285 516 D C -0.769 175.596 176.300 0.108 0.000 1.359 516 D CA -0.237 53.961 54.000 0.331 0.000 0.818 516 D CB -0.363 40.586 40.800 0.248 0.000 1.108 516 D HN 0.151 nan 8.370 nan 0.000 0.474 517 E N -0.062 120.259 120.200 0.203 0.000 2.290 517 E HA 0.537 4.887 4.350 0.001 0.000 0.274 517 E C -1.133 175.552 176.600 0.142 0.000 0.889 517 E CA -0.762 55.710 56.400 0.119 0.000 0.760 517 E CB 2.370 32.213 29.700 0.238 0.000 1.206 517 E HN -0.012 nan 8.360 nan 0.000 0.419 518 I N 2.368 122.979 120.570 0.068 0.000 2.411 518 I HA 0.210 4.381 4.170 0.001 0.000 0.284 518 I C -0.863 175.298 176.117 0.072 0.000 1.012 518 I CA -0.685 60.663 61.300 0.079 0.000 1.119 518 I CB 1.681 39.762 38.000 0.136 0.000 1.261 518 I HN 0.269 nan 8.210 nan 0.000 0.448 519 V N 5.491 125.449 119.914 0.073 0.000 2.432 519 V HA 0.756 4.877 4.120 0.001 0.000 0.275 519 V C 0.442 176.559 176.094 0.038 0.000 1.043 519 V CA -0.562 61.792 62.300 0.091 0.000 0.925 519 V CB 1.248 33.187 31.823 0.194 0.000 0.985 519 V HN 0.791 nan 8.190 nan 0.000 0.466 520 A N 6.649 129.320 122.820 -0.248 0.000 2.303 520 A HA 0.869 5.190 4.320 0.001 0.000 0.320 520 A C -0.838 176.596 177.584 -0.251 0.000 1.192 520 A CA -0.510 51.257 52.037 -0.449 0.000 0.821 520 A CB 0.701 19.157 19.000 -0.907 0.000 1.188 520 A HN 0.789 nan 8.150 nan 0.000 0.492 521 L N 2.168 123.230 121.223 -0.268 0.000 2.362 521 L HA 0.790 5.131 4.340 0.001 0.000 0.271 521 L C 0.388 176.805 176.870 -0.756 0.000 1.002 521 L CA -0.679 53.966 54.840 -0.324 0.000 0.818 521 L CB 2.537 44.547 42.059 -0.081 0.000 1.298 521 L HN 0.827 nan 8.230 nan 0.000 0.420 522 G N 0.689 108.700 108.800 -1.315 0.000 2.617 522 G HA2 0.690 4.650 3.960 0.001 0.000 0.306 522 G HA3 0.690 4.650 3.960 0.001 0.000 0.306 522 G C -1.071 173.387 174.900 -0.738 0.000 1.360 522 G CA -0.289 43.983 45.100 -1.380 0.000 0.983 522 G HN 0.621 nan 8.290 nan 0.000 0.496 523 S N -0.312 115.086 115.700 -0.504 0.000 2.625 523 S HA 0.698 5.168 4.470 0.001 0.000 0.271 523 S C 0.688 175.091 174.600 -0.328 0.000 1.161 523 S CA 0.241 58.232 58.200 -0.349 0.000 0.820 523 S CB 1.377 64.415 63.200 -0.270 0.000 1.137 523 S HN 2.507 nan 8.310 nan 0.000 0.470 524 G N 0.536 109.189 108.800 -0.244 0.000 2.258 524 G HA2 -0.226 3.734 3.960 0.001 0.000 0.274 524 G HA3 -0.226 3.734 3.960 0.001 0.000 0.274 524 G C -0.034 174.742 174.900 -0.206 0.000 1.021 524 G CA 0.369 45.340 45.100 -0.215 0.000 0.798 524 G HN 0.984 nan 8.290 nan 0.000 0.507 525 I N 1.701 122.145 120.570 -0.209 0.000 2.471 525 I HA 0.241 4.411 4.170 0.001 0.000 0.294 525 I C 0.448 176.497 176.117 -0.114 0.000 1.123 525 I CA 0.434 61.624 61.300 -0.184 0.000 1.336 525 I CB 0.356 38.186 38.000 -0.283 0.000 1.430 525 I HN 0.114 nan 8.210 nan 0.000 0.533 526 S N 4.133 119.788 115.700 -0.075 0.000 2.570 526 S HA 0.702 5.173 4.470 0.001 0.000 0.286 526 S C -0.628 173.978 174.600 0.009 0.000 1.099 526 S CA -0.698 57.482 58.200 -0.033 0.000 0.913 526 S CB 2.377 65.551 63.200 -0.043 0.000 1.085 526 S HN 0.605 nan 8.310 nan 0.000 0.480 527 S N 0.290 116.007 115.700 0.028 0.000 2.547 527 S HA 0.635 5.106 4.470 0.001 0.000 0.270 527 S C -0.370 174.258 174.600 0.047 0.000 1.150 527 S CA -0.207 58.030 58.200 0.062 0.000 0.850 527 S CB 1.348 64.601 63.200 0.089 0.000 1.118 527 S HN 0.920 nan 8.310 nan 0.000 0.461 528 T N 0.015 114.605 114.554 0.059 0.000 3.275 528 T HA 0.438 4.788 4.350 0.001 0.000 0.298 528 T C 1.190 175.917 174.700 0.045 0.000 0.988 528 T CA 0.425 62.550 62.100 0.042 0.000 0.936 528 T CB 0.321 69.211 68.868 0.038 0.000 1.159 528 T HN 0.731 nan 8.240 nan 0.000 0.519 529 A N 1.353 124.208 122.820 0.058 0.000 2.119 529 A HA 0.557 4.878 4.320 0.001 0.000 0.217 529 A C 2.116 179.694 177.584 -0.010 0.000 1.153 529 A CA 0.628 52.691 52.037 0.042 0.000 0.692 529 A CB -1.245 17.787 19.000 0.053 0.000 0.799 529 A HN 1.578 nan 8.150 nan 0.000 0.458 530 G N -1.004 107.789 108.800 -0.011 0.000 2.221 530 G HA2 -0.230 3.731 3.960 0.001 0.000 0.265 530 G HA3 -0.230 3.731 3.960 0.001 0.000 0.265 530 G C -0.057 174.809 174.900 -0.057 0.000 1.041 530 G CA 0.604 45.688 45.100 -0.027 0.000 0.807 530 G HN 0.564 nan 8.290 nan 0.000 0.502 531 I N -0.265 120.259 120.570 -0.076 0.000 2.582 531 I HA 0.323 4.494 4.170 0.001 0.000 0.292 531 I C -2.391 173.672 176.117 -0.091 0.000 1.066 531 I CA -2.783 58.444 61.300 -0.121 0.000 1.053 531 I CB 2.584 40.449 38.000 -0.225 0.000 1.241 531 I HN -0.201 nan 8.210 nan 0.000 0.421 532 P HA 0.064 nan 4.420 nan 0.000 0.262 532 P C -0.901 176.378 177.300 -0.035 0.000 1.182 532 P CA 0.171 63.247 63.100 -0.040 0.000 0.761 532 P CB 0.214 31.888 31.700 -0.043 0.000 0.795 533 I N 3.773 124.365 120.570 0.038 0.000 2.392 533 I HA 0.342 4.512 4.170 0.001 0.000 0.295 533 I C 0.903 177.107 176.117 0.146 0.000 0.985 533 I CA -0.599 60.760 61.300 0.099 0.000 1.221 533 I CB 1.102 39.204 38.000 0.170 0.000 1.366 533 I HN 0.502 nan 8.210 nan 0.000 0.467 534 E N 3.300 123.572 120.200 0.121 0.000 2.393 534 E HA 0.675 5.025 4.350 0.001 0.000 0.273 534 E C -1.336 175.335 176.600 0.118 0.000 0.918 534 E CA -0.878 55.570 56.400 0.081 0.000 0.773 534 E CB 2.048 31.780 29.700 0.054 0.000 1.275 534 E HN 0.351 nan 8.360 nan 0.000 0.451 535 T N 1.142 115.741 114.554 0.075 0.000 2.812 535 T HA 0.292 4.643 4.350 0.001 0.000 0.282 535 T C -0.585 174.112 174.700 -0.006 0.000 0.990 535 T CA -0.661 61.462 62.100 0.039 0.000 0.960 535 T CB 1.282 70.112 68.868 -0.063 0.000 0.948 535 T HN 0.345 nan 8.240 nan 0.000 0.438 536 V N 5.027 124.942 119.914 0.002 0.000 2.405 536 V HA 0.087 4.208 4.120 0.001 0.000 0.264 536 V C 1.535 177.596 176.094 -0.054 0.000 1.048 536 V CA -0.102 62.209 62.300 0.018 0.000 0.966 536 V CB 0.605 32.431 31.823 0.005 0.000 1.015 536 V HN 0.826 nan 8.190 nan 0.000 0.477 537 V N 2.951 122.765 119.914 -0.167 0.000 2.307 537 V HA -0.028 4.093 4.120 0.001 0.000 0.245 537 V C 0.741 176.745 176.094 -0.149 0.000 1.045 537 V CA 1.894 63.929 62.300 -0.441 0.000 1.024 537 V CB -0.232 31.312 31.823 -0.464 0.000 0.651 537 V HN 1.031 nan 8.190 nan 0.000 0.449 538 D N -2.112 118.245 120.400 -0.072 0.000 2.694 538 D HA 0.271 4.911 4.640 0.001 0.000 0.260 538 D C -1.760 174.549 176.300 0.015 0.000 1.250 538 D CA -0.535 53.479 54.000 0.023 0.000 0.763 538 D CB 1.411 42.271 40.800 0.101 0.000 1.311 538 D HN 0.023 nan 8.370 nan 0.000 0.420 539 N N 1.609 120.337 118.700 0.047 0.000 2.664 539 N HA 0.249 4.989 4.740 0.001 0.000 0.268 539 N C -1.558 174.032 175.510 0.133 0.000 1.222 539 N CA -0.401 52.675 53.050 0.043 0.000 0.805 539 N CB 0.964 39.429 38.487 -0.036 0.000 1.399 539 N HN 0.218 nan 8.380 nan 0.000 0.547 540 R N 1.516 122.092 120.500 0.127 0.000 2.514 540 R HA 0.319 4.659 4.340 0.001 0.000 0.301 540 R C -0.065 176.271 176.300 0.059 0.000 0.962 540 R CA -0.767 55.393 56.100 0.101 0.000 0.882 540 R CB 1.671 31.971 30.300 -0.000 0.000 1.143 540 R HN 0.424 nan 8.270 nan 0.000 0.452 541 K N 3.136 123.501 120.400 -0.058 0.000 2.379 541 K HA 0.221 4.541 4.320 0.001 0.000 0.284 541 K C -0.238 176.167 176.600 -0.325 0.000 1.044 541 K CA -0.122 55.874 56.287 -0.485 0.000 0.974 541 K CB 0.462 32.743 32.500 -0.366 0.000 0.962 541 K HN 0.426 nan 8.250 nan 0.000 0.474 542 L N 2.666 123.676 121.223 -0.356 0.000 2.544 542 L HA 0.326 4.667 4.340 0.001 0.000 0.256 542 L C 0.562 177.319 176.870 -0.188 0.000 1.097 542 L CA -1.329 53.374 54.840 -0.228 0.000 0.812 542 L CB 0.500 42.431 42.059 -0.213 0.000 1.440 542 L HN 0.827 nan 8.230 nan 0.000 0.496 543 N N -0.441 118.184 118.700 -0.126 0.000 2.317 543 N HA 0.044 4.784 4.740 0.001 0.000 0.245 543 N C 0.904 176.363 175.510 -0.086 0.000 1.294 543 N CA 0.102 53.100 53.050 -0.086 0.000 0.924 543 N CB 0.122 38.579 38.487 -0.049 0.000 1.186 543 N HN 0.640 nan 8.380 nan 0.000 0.495 544 G N -1.353 107.414 108.800 -0.055 0.000 2.475 544 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 544 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 544 G C 1.176 176.050 174.900 -0.044 0.000 1.125 544 G CA 1.054 46.126 45.100 -0.046 0.000 0.755 544 G HN 0.810 nan 8.290 nan 0.000 0.565 545 A N -0.373 122.424 122.820 -0.038 0.000 2.132 545 A HA 0.468 4.789 4.320 0.001 0.000 0.213 545 A C 2.080 179.638 177.584 -0.043 0.000 1.154 545 A CA 1.278 53.297 52.037 -0.030 0.000 0.753 545 A CB -0.392 18.599 19.000 -0.015 0.000 0.826 545 A HN 1.584 nan 8.150 nan 0.000 0.469 546 G N 0.990 109.749 108.800 -0.068 0.000 2.249 546 G HA2 -0.286 3.675 3.960 0.001 0.000 0.273 546 G HA3 -0.286 3.675 3.960 0.001 0.000 0.273 546 G C 0.034 174.890 174.900 -0.074 0.000 1.036 546 G CA 0.800 45.845 45.100 -0.092 0.000 0.824 546 G HN 0.863 nan 8.290 nan 0.000 0.504 547 D N -0.646 119.726 120.400 -0.047 0.000 2.501 547 D HA 0.048 4.688 4.640 0.001 0.000 0.226 547 D C 0.416 176.716 176.300 0.000 0.000 1.198 547 D CA -0.661 53.331 54.000 -0.014 0.000 0.830 547 D CB -0.628 40.178 40.800 0.009 0.000 1.014 547 D HN 0.449 nan 8.370 nan 0.000 0.496 548 N N 1.017 119.693 118.700 -0.040 0.000 2.292 548 N HA 0.143 4.883 4.740 0.001 0.000 0.258 548 N C 0.273 175.816 175.510 0.055 0.000 1.261 548 N CA 0.237 53.277 53.050 -0.016 0.000 0.845 548 N CB 0.789 39.231 38.487 -0.074 0.000 1.064 548 N HN 0.299 nan 8.380 nan 0.000 0.471 549 A N 3.256 126.152 122.820 0.126 0.000 2.425 549 A HA 0.358 4.679 4.320 0.001 0.000 0.242 549 A C -0.351 177.447 177.584 0.357 0.000 1.077 549 A CA -0.111 52.069 52.037 0.239 0.000 0.781 549 A CB 0.311 19.431 19.000 0.199 0.000 1.020 549 A HN 0.827 nan 8.150 nan 0.000 0.494 550 W N -0.253 121.085 121.300 0.064 0.000 3.248 550 W HA 0.657 5.317 4.660 0.001 0.000 0.311 550 W C -1.698 174.883 176.519 0.104 0.000 1.258 550 W CA -0.721 56.668 57.345 0.074 0.000 1.191 550 W CB 0.094 29.565 29.460 0.018 0.000 1.389 550 W HN 0.668 nan 8.180 nan 0.000 0.561 551 T N 1.777 116.426 114.554 0.159 0.000 2.896 551 T HA 0.804 5.155 4.350 0.001 0.000 0.297 551 T C -1.060 173.484 174.700 -0.259 0.000 1.108 551 T CA -0.389 61.656 62.100 -0.092 0.000 1.004 551 T CB 1.972 70.913 68.868 0.122 0.000 1.159 551 T HN 0.793 nan 8.240 nan 0.000 0.499 552 A N 1.749 124.259 122.820 -0.517 0.000 2.375 552 A HA 0.702 5.022 4.320 0.001 0.000 0.295 552 A C 0.277 177.353 177.584 -0.847 0.000 1.066 552 A CA -0.794 50.849 52.037 -0.656 0.000 0.722 552 A CB 0.148 18.837 19.000 -0.518 0.000 1.206 552 A HN 1.007 nan 8.150 nan 0.000 0.435 553 N N 1.386 119.243 118.700 -1.404 0.000 2.708 553 N HA -0.270 4.470 4.740 0.001 0.000 0.249 553 N C 0.971 176.150 175.510 -0.552 0.000 1.097 553 N CA 1.202 53.637 53.050 -1.026 0.000 0.710 553 N CB -0.663 37.551 38.487 -0.455 0.000 1.032 553 N HN 2.114 nan 8.380 nan 0.000 0.551 554 G N -1.600 106.805 108.800 -0.658 0.000 2.179 554 G HA2 -0.190 3.770 3.960 0.001 0.000 0.260 554 G HA3 -0.190 3.770 3.960 0.001 0.000 0.260 554 G C 0.029 174.877 174.900 -0.087 0.000 0.977 554 G CA 0.435 45.523 45.100 -0.021 0.000 0.641 554 G HN 0.932 nan 8.290 nan 0.000 0.533 555 A N -0.077 122.608 122.820 -0.224 0.000 2.303 555 A HA 0.967 5.288 4.320 0.001 0.000 0.320 555 A C 0.546 178.003 177.584 -0.212 0.000 1.192 555 A CA 0.718 52.650 52.037 -0.175 0.000 0.821 555 A CB 1.174 20.061 19.000 -0.188 0.000 1.188 555 A HN 2.037 nan 8.150 nan 0.000 0.492 556 A N 2.346 125.085 122.820 -0.135 0.000 2.483 556 A HA 0.559 4.879 4.320 0.001 0.000 0.238 556 A C -0.110 177.329 177.584 -0.241 0.000 1.070 556 A CA 0.198 52.151 52.037 -0.140 0.000 0.770 556 A CB -0.138 18.837 19.000 -0.041 0.000 1.008 556 A HN 0.860 nan 8.150 nan 0.000 0.497 557 L N 1.683 122.678 121.223 -0.380 0.000 2.342 557 L HA 0.418 4.759 4.340 0.001 0.000 0.271 557 L C 0.837 177.658 176.870 -0.080 0.000 1.008 557 L CA -0.728 53.837 54.840 -0.459 0.000 0.818 557 L CB 1.964 43.269 42.059 -1.258 0.000 1.296 557 L HN 0.867 nan 8.230 nan 0.000 0.427 558 S N -0.945 114.778 115.700 0.039 0.000 2.558 558 S HA -0.002 4.468 4.470 0.001 0.000 0.287 558 S C 0.849 175.636 174.600 0.313 0.000 1.321 558 S CA 0.039 58.323 58.200 0.141 0.000 1.048 558 S CB 0.619 63.875 63.200 0.094 0.000 0.844 558 S HN 0.826 nan 8.310 nan 0.000 0.512 559 T N -1.284 113.393 114.554 0.206 0.000 3.105 559 T HA 0.371 4.722 4.350 0.001 0.000 0.253 559 T C 0.866 175.611 174.700 0.075 0.000 1.047 559 T CA -0.085 62.115 62.100 0.168 0.000 0.944 559 T CB -0.437 68.507 68.868 0.126 0.000 1.016 559 T HN 0.911 nan 8.240 nan 0.000 0.544 560 G N 1.407 110.251 108.800 0.074 0.000 2.544 560 G HA2 0.529 4.490 3.960 0.001 0.000 0.242 560 G HA3 0.529 4.490 3.960 0.001 0.000 0.242 560 G C -0.378 174.533 174.900 0.017 0.000 1.247 560 G CA -0.704 44.419 45.100 0.037 0.000 0.840 560 G HN 0.497 nan 8.290 nan 0.000 0.578 561 L N 0.820 122.044 121.223 0.001 0.000 2.375 561 L HA 0.489 4.829 4.340 0.001 0.000 0.271 561 L C 1.416 178.287 176.870 0.002 0.000 1.107 561 L CA 0.762 55.596 54.840 -0.010 0.000 0.806 561 L CB 1.450 43.499 42.059 -0.017 0.000 1.146 561 L HN 0.956 nan 8.230 nan 0.000 0.447 562 G N 2.268 111.070 108.800 0.003 0.000 2.132 562 G HA2 -0.194 3.766 3.960 0.001 0.000 0.234 562 G HA3 -0.194 3.766 3.960 0.001 0.000 0.234 562 G C -0.338 174.572 174.900 0.017 0.000 0.989 562 G CA -0.177 44.928 45.100 0.009 0.000 0.676 562 G HN 0.371 nan 8.290 nan 0.000 0.522 563 V N 0.611 120.539 119.914 0.024 0.000 2.409 563 V HA 0.808 4.929 4.120 0.001 0.000 0.291 563 V C 0.564 176.685 176.094 0.046 0.000 1.020 563 V CA -0.293 62.029 62.300 0.036 0.000 0.848 563 V CB 1.465 33.319 31.823 0.052 0.000 0.990 563 V HN 1.108 nan 8.190 nan 0.000 0.430 564 A N 5.390 128.233 122.820 0.039 0.000 2.312 564 A HA 0.901 5.221 4.320 0.001 0.000 0.326 564 A C -0.358 177.234 177.584 0.014 0.000 1.172 564 A CA -0.509 51.551 52.037 0.038 0.000 0.821 564 A CB 1.146 20.173 19.000 0.046 0.000 1.166 564 A HN 0.973 nan 8.150 nan 0.000 0.493 565 Q N 0.342 120.136 119.800 -0.011 0.000 2.438 565 Q HA 0.523 4.863 4.340 0.001 0.000 0.272 565 Q C -1.450 174.479 176.000 -0.118 0.000 0.994 565 Q CA -0.692 55.085 55.803 -0.044 0.000 0.887 565 Q CB 1.144 29.879 28.738 -0.005 0.000 1.432 565 Q HN 0.407 nan 8.270 nan 0.000 0.392 566 T N 3.198 117.663 114.554 -0.148 0.000 2.799 566 T HA 0.492 4.842 4.350 0.001 0.000 0.286 566 T C -0.304 174.273 174.700 -0.205 0.000 0.973 566 T CA -0.500 61.475 62.100 -0.209 0.000 1.035 566 T CB 0.343 69.097 68.868 -0.191 0.000 0.932 566 T HN 0.400 nan 8.240 nan 0.000 0.469 567 L N 4.265 125.339 121.223 -0.250 0.000 2.280 567 L HA 0.488 4.828 4.340 0.001 0.000 0.287 567 L C 0.808 177.521 176.870 -0.262 0.000 1.023 567 L CA -0.885 53.800 54.840 -0.259 0.000 0.819 567 L CB 1.125 43.007 42.059 -0.297 0.000 1.212 567 L HN 0.701 nan 8.230 nan 0.000 0.420 568 T N -1.423 113.001 114.554 -0.217 0.000 2.895 568 T HA 0.588 4.938 4.350 0.001 0.000 0.283 568 T C 0.868 175.461 174.700 -0.178 0.000 1.014 568 T CA 0.002 61.986 62.100 -0.192 0.000 1.037 568 T CB 1.818 70.597 68.868 -0.148 0.000 1.006 568 T HN 0.898 nan 8.240 nan 0.000 0.468 569 G N 1.361 110.064 108.800 -0.163 0.000 2.273 569 G HA2 -0.185 3.775 3.960 0.001 0.000 0.280 569 G HA3 -0.185 3.775 3.960 0.001 0.000 0.280 569 G C -0.016 174.795 174.900 -0.148 0.000 1.047 569 G CA -0.038 44.985 45.100 -0.129 0.000 0.869 569 G HN 1.169 nan 8.290 nan 0.000 0.502 570 V N -0.143 119.639 119.914 -0.220 0.000 2.508 570 V HA 0.201 4.322 4.120 0.001 0.000 0.281 570 V C 1.357 177.390 176.094 -0.101 0.000 1.041 570 V CA 0.706 62.863 62.300 -0.239 0.000 1.016 570 V CB 1.173 32.753 31.823 -0.405 0.000 0.984 570 V HN 0.511 nan 8.190 nan 0.000 0.478 571 N N 3.704 122.425 118.700 0.034 0.000 2.436 571 N HA 0.164 4.904 4.740 0.001 0.000 0.178 571 N C -0.033 175.839 175.510 0.603 0.000 1.026 571 N CA 0.284 53.500 53.050 0.277 0.000 0.880 571 N CB 0.470 39.172 38.487 0.359 0.000 1.061 571 N HN 0.812 nan 8.380 nan 0.000 0.434 572 W N -0.134 121.390 121.300 0.372 0.000 3.296 572 W HA 0.653 5.314 4.660 0.001 0.000 0.314 572 W C -2.169 174.569 176.519 0.365 0.000 1.238 572 W CA -0.721 56.905 57.345 0.469 0.000 1.193 572 W CB 0.392 30.121 29.460 0.448 0.000 1.383 572 W HN -0.436 nan 8.180 nan 0.000 0.545 573 V N 1.922 122.285 119.914 0.750 0.000 2.823 573 V HA 0.439 4.559 4.120 0.001 0.000 0.312 573 V C -1.236 175.339 176.094 0.800 0.000 1.072 573 V CA -0.566 62.058 62.300 0.539 0.000 0.937 573 V CB 2.136 34.212 31.823 0.423 0.000 1.013 573 V HN 0.682 nan 8.190 nan 0.000 0.430 574 H N 3.270 122.681 119.070 0.569 0.000 2.667 574 H HA 0.758 5.315 4.556 0.001 0.000 0.353 574 H C -1.665 173.949 175.328 0.478 0.000 1.072 574 H CA -0.582 55.781 56.048 0.524 0.000 1.214 574 H CB 1.725 31.797 29.762 0.516 0.000 1.600 574 H HN 0.553 nan 8.280 nan 0.000 0.527 575 L N 4.535 125.635 121.223 -0.204 0.000 2.356 575 L HA 0.797 5.138 4.340 0.001 0.000 0.277 575 L C -0.847 175.802 176.870 -0.368 0.000 0.996 575 L CA -0.461 54.319 54.840 -0.101 0.000 0.822 575 L CB 1.389 43.518 42.059 0.116 0.000 1.256 575 L HN 0.838 nan 8.230 nan 0.000 0.413 576 A N 3.571 126.285 122.820 -0.175 0.000 2.363 576 A HA 0.664 4.984 4.320 0.001 0.000 0.270 576 A C 0.560 178.125 177.584 -0.032 0.000 1.121 576 A CA 0.179 52.184 52.037 -0.053 0.000 0.800 576 A CB 0.068 19.117 19.000 0.082 0.000 1.052 576 A HN 0.970 nan 8.150 nan 0.000 0.493 577 G N 0.506 109.302 108.800 -0.006 0.000 2.621 577 G HA2 0.295 4.255 3.960 0.001 0.000 0.271 577 G HA3 0.295 4.255 3.960 0.001 0.000 0.271 577 G C 0.372 175.268 174.900 -0.007 0.000 1.236 577 G CA -0.500 44.592 45.100 -0.013 0.000 0.958 577 G HN 0.688 nan 8.290 nan 0.000 0.512 578 N N -0.585 118.103 118.700 -0.020 0.000 2.521 578 N HA 0.036 4.776 4.740 0.001 0.000 0.188 578 N C 0.809 176.327 175.510 0.014 0.000 1.146 578 N CA 0.761 53.802 53.050 -0.015 0.000 0.893 578 N CB 0.192 38.656 38.487 -0.038 0.000 0.975 578 N HN 0.635 nan 8.380 nan 0.000 0.451 579 T N -4.621 109.951 114.554 0.029 0.000 2.893 579 T HA 0.682 5.032 4.350 0.001 0.000 0.291 579 T C 1.177 175.909 174.700 0.054 0.000 1.028 579 T CA -0.581 61.547 62.100 0.046 0.000 0.995 579 T CB 2.230 71.134 68.868 0.060 0.000 1.051 579 T HN -0.074 nan 8.240 nan 0.000 0.470 580 A N 1.822 124.675 122.820 0.055 0.000 1.917 580 A HA 0.027 4.347 4.320 0.001 0.000 0.219 580 A C 0.799 178.425 177.584 0.069 0.000 1.182 580 A CA 1.321 53.394 52.037 0.060 0.000 0.633 580 A CB -0.679 18.353 19.000 0.054 0.000 0.819 580 A HN 0.917 nan 8.150 nan 0.000 0.448 581 D N -4.229 116.214 120.400 0.071 0.000 2.547 581 D HA 0.450 5.090 4.640 0.001 0.000 0.231 581 D C 0.576 176.929 176.300 0.089 0.000 1.099 581 D CA 0.248 54.296 54.000 0.079 0.000 0.901 581 D CB 1.628 42.473 40.800 0.074 0.000 1.478 581 D HN 0.507 nan 8.370 nan 0.000 0.471 582 G N 0.417 109.276 108.800 0.098 0.000 2.162 582 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 582 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 582 G C 0.583 175.549 174.900 0.109 0.000 0.976 582 G CA 0.925 46.095 45.100 0.117 0.000 0.655 582 G HN 0.568 nan 8.290 nan 0.000 0.533 583 S N -1.079 114.668 115.700 0.079 0.000 2.847 583 S HA 0.396 4.866 4.470 0.001 0.000 0.254 583 S C -0.110 174.501 174.600 0.017 0.000 1.039 583 S CA 0.192 58.420 58.200 0.047 0.000 1.113 583 S CB 1.056 64.277 63.200 0.034 0.000 1.092 583 S HN 0.152 nan 8.310 nan 0.000 0.620 584 D N 2.086 122.511 120.400 0.041 0.000 2.362 584 D HA 0.499 5.139 4.640 0.001 0.000 0.242 584 D C -0.234 176.049 176.300 -0.028 0.000 1.132 584 D CA 0.183 54.202 54.000 0.031 0.000 0.907 584 D CB 0.848 41.769 40.800 0.203 0.000 1.195 584 D HN 0.362 nan 8.370 nan 0.000 0.429 585 I N 0.549 121.065 120.570 -0.090 0.000 2.569 585 I HA 0.444 4.614 4.170 0.001 0.000 0.290 585 I C 0.497 176.477 176.117 -0.228 0.000 1.088 585 I CA -0.839 60.331 61.300 -0.216 0.000 1.047 585 I CB 2.304 40.141 38.000 -0.272 0.000 1.237 585 I HN 0.235 nan 8.210 nan 0.000 0.421 586 G N 4.450 113.073 108.800 -0.295 0.000 2.441 586 G HA2 0.722 4.683 3.960 0.001 0.000 0.334 586 G HA3 0.722 4.683 3.960 0.001 0.000 0.334 586 G C -1.789 172.886 174.900 -0.376 0.000 1.161 586 G CA -0.333 44.721 45.100 -0.077 0.000 0.935 586 G HN 0.435 nan 8.290 nan 0.000 0.488 587 Y N -0.101 120.321 120.300 0.203 0.000 2.331 587 Y HA 0.373 4.923 4.550 0.001 0.000 0.326 587 Y C -1.000 174.964 175.900 0.108 0.000 1.020 587 Y CA -1.028 57.116 58.100 0.073 0.000 1.136 587 Y CB 2.001 40.507 38.460 0.077 0.000 1.157 587 Y HN 0.604 nan 8.280 nan 0.000 0.444 588 Y N 3.777 124.053 120.300 -0.040 0.000 2.360 588 Y HA 0.662 5.212 4.550 0.001 0.000 0.337 588 Y C -1.711 174.104 175.900 -0.141 0.000 1.039 588 Y CA -2.348 55.808 58.100 0.094 0.000 1.109 588 Y CB 0.738 39.316 38.460 0.197 0.000 1.201 588 Y HN 0.483 nan 8.280 nan 0.000 0.458 589 F N 7.402 127.076 119.950 -0.461 0.000 2.359 589 F HA 0.443 4.970 4.527 0.001 0.000 0.369 589 F C -2.339 173.114 175.800 -0.579 0.000 1.084 589 F CA -2.686 55.113 58.000 -0.336 0.000 1.096 589 F CB 0.930 39.879 39.000 -0.085 0.000 1.335 589 F HN 0.414 nan 8.300 nan 0.000 0.457 590 P HA 0.128 nan 4.420 nan 0.000 0.261 590 P C 0.909 178.213 177.300 0.007 0.000 1.183 590 P CA 1.061 64.079 63.100 -0.138 0.000 0.761 590 P CB 0.664 32.398 31.700 0.057 0.000 0.785 591 G N 2.516 111.339 108.800 0.039 0.000 2.179 591 G HA2 -0.005 3.956 3.960 0.001 0.000 0.260 591 G HA3 -0.005 3.956 3.960 0.001 0.000 0.260 591 G C 0.520 175.447 174.900 0.044 0.000 0.977 591 G CA 0.185 45.317 45.100 0.053 0.000 0.641 591 G HN 1.028 nan 8.290 nan 0.000 0.533 592 G N -1.171 107.656 108.800 0.045 0.000 2.731 592 G HA2 0.470 4.431 3.960 0.001 0.000 0.686 592 G HA3 0.470 4.431 3.960 0.001 0.000 0.686 592 G C -0.024 174.864 174.900 -0.019 0.000 1.395 592 G CA 0.796 45.909 45.100 0.021 0.000 0.870 592 G HN 2.480 nan 8.290 nan 0.000 0.591 593 A N 0.193 122.918 122.820 -0.158 0.000 2.602 593 A HA 0.965 5.285 4.320 0.001 0.000 0.290 593 A C -0.124 177.262 177.584 -0.329 0.000 1.114 593 A CA 0.326 52.219 52.037 -0.240 0.000 0.683 593 A CB 1.667 20.460 19.000 -0.346 0.000 1.281 593 A HN 1.690 nan 8.150 nan 0.000 0.416 594 T N 1.334 115.719 114.554 -0.283 0.000 2.758 594 T HA 0.543 4.893 4.350 0.001 0.000 0.285 594 T C -0.957 173.519 174.700 -0.374 0.000 0.981 594 T CA -0.015 61.911 62.100 -0.290 0.000 0.965 594 T CB 0.386 69.130 68.868 -0.208 0.000 0.927 594 T HN 0.387 nan 8.240 nan 0.000 0.448 595 L N 4.250 125.218 121.223 -0.426 0.000 2.307 595 L HA 0.437 4.778 4.340 0.001 0.000 0.284 595 L C -0.179 176.378 176.870 -0.520 0.000 1.023 595 L CA -0.404 54.148 54.840 -0.479 0.000 0.810 595 L CB 1.657 43.436 42.059 -0.466 0.000 1.231 595 L HN 0.468 nan 8.230 nan 0.000 0.423 596 Q N 2.821 122.146 119.800 -0.792 0.000 2.278 596 Q HA 0.619 4.960 4.340 0.001 0.000 0.257 596 Q C -0.126 175.106 176.000 -1.280 0.000 0.928 596 Q CA -0.268 54.873 55.803 -1.104 0.000 0.932 596 Q CB 1.734 29.463 28.738 -1.683 0.000 1.221 596 Q HN 0.752 nan 8.270 nan 0.000 0.434 597 T N -1.028 113.084 114.554 -0.737 0.000 2.812 597 T HA 0.852 5.202 4.350 0.001 0.000 0.294 597 T C -1.011 173.644 174.700 -0.076 0.000 1.159 597 T CA -0.895 60.996 62.100 -0.348 0.000 1.008 597 T CB 2.497 71.337 68.868 -0.045 0.000 1.289 597 T HN 0.631 nan 8.240 nan 0.000 0.514 598 K N 0.044 120.482 120.400 0.063 0.000 2.610 598 K HA 0.591 4.912 4.320 0.001 0.000 0.278 598 K C -1.646 174.953 176.600 -0.001 0.000 0.964 598 K CA -1.111 55.223 56.287 0.077 0.000 0.859 598 K CB 1.957 34.558 32.500 0.168 0.000 1.434 598 K HN 0.821 nan 8.250 nan 0.000 0.410 599 R N 1.896 122.379 120.500 -0.028 0.000 2.451 599 R HA 0.261 4.602 4.340 0.001 0.000 0.307 599 R C -1.415 174.869 176.300 -0.026 0.000 0.965 599 R CA -0.223 55.827 56.100 -0.082 0.000 0.865 599 R CB 1.417 31.625 30.300 -0.154 0.000 1.174 599 R HN 0.921 nan 8.270 nan 0.000 0.455 600 E N 2.900 123.098 120.200 -0.004 0.000 2.433 600 E HA 0.595 4.945 4.350 0.001 0.000 0.278 600 E C -1.691 174.923 176.600 0.024 0.000 0.976 600 E CA -1.314 55.092 56.400 0.011 0.000 0.793 600 E CB 1.755 31.467 29.700 0.020 0.000 1.311 600 E HN 0.480 nan 8.360 nan 0.000 0.460 601 A N 2.040 124.867 122.820 0.011 0.000 2.260 601 A HA 0.532 4.852 4.320 0.001 0.000 0.308 601 A C -0.450 177.152 177.584 0.030 0.000 1.254 601 A CA -0.655 51.387 52.037 0.009 0.000 0.874 601 A CB 0.301 19.295 19.000 -0.009 0.000 1.153 601 A HN 0.517 nan 8.150 nan 0.000 0.527 602 R N 1.664 122.204 120.500 0.066 0.000 2.445 602 R HA 0.589 4.929 4.340 0.001 0.000 0.308 602 R C -0.814 175.496 176.300 0.016 0.000 0.961 602 R CA -0.407 55.717 56.100 0.039 0.000 0.862 602 R CB 2.090 32.412 30.300 0.037 0.000 1.144 602 R HN 0.655 nan 8.270 nan 0.000 0.447 603 T N 0.747 115.296 114.554 -0.009 0.000 2.888 603 T HA 0.761 5.112 4.350 0.001 0.000 0.284 603 T C -0.069 174.608 174.700 -0.038 0.000 1.017 603 T CA -0.604 61.486 62.100 -0.017 0.000 1.022 603 T CB 1.961 70.825 68.868 -0.007 0.000 1.013 603 T HN 0.804 nan 8.240 nan 0.000 0.465 604 G N 0.718 109.488 108.800 -0.049 0.000 2.488 604 G HA2 0.640 4.600 3.960 0.001 0.000 0.301 604 G HA3 0.640 4.600 3.960 0.001 0.000 0.301 604 G C -1.107 173.753 174.900 -0.068 0.000 1.339 604 G CA -0.513 44.544 45.100 -0.072 0.000 0.803 604 G HN 0.894 nan 8.290 nan 0.000 0.482 605 T N -3.241 111.271 114.554 -0.071 0.000 2.903 605 T HA 0.424 4.775 4.350 0.001 0.000 0.299 605 T C 0.068 174.751 174.700 -0.028 0.000 1.093 605 T CA -0.591 61.504 62.100 -0.008 0.000 1.002 605 T CB 1.931 70.832 68.868 0.055 0.000 1.127 605 T HN 0.540 nan 8.240 nan 0.000 0.488 606 W N 0.774 122.090 121.300 0.027 0.000 2.465 606 W HA 0.113 4.773 4.660 0.001 0.000 0.268 606 W C 2.451 178.972 176.519 0.005 0.000 1.242 606 W CA 0.535 57.893 57.345 0.022 0.000 1.248 606 W CB -0.063 29.415 29.460 0.029 0.000 1.118 606 W HN 0.725 nan 8.180 nan 0.000 0.587 607 K N 0.868 121.393 120.400 0.209 0.000 2.147 607 K HA -0.208 4.112 4.320 0.001 0.000 0.205 607 K C 1.713 178.353 176.600 0.066 0.000 1.049 607 K CA 1.610 57.971 56.287 0.122 0.000 0.936 607 K CB -0.344 32.212 32.500 0.093 0.000 0.722 607 K HN 0.205 nan 8.250 nan 0.000 0.446 608 Q N -0.286 119.534 119.800 0.034 0.000 2.291 608 Q HA -0.047 4.294 4.340 0.001 0.000 0.205 608 Q C 1.614 177.589 176.000 -0.042 0.000 0.970 608 Q CA 1.500 57.297 55.803 -0.011 0.000 0.876 608 Q CB -0.039 28.676 28.738 -0.039 0.000 0.935 608 Q HN 0.644 nan 8.270 nan 0.000 0.455 609 I N -4.632 115.918 120.570 -0.032 0.000 4.154 609 I HA 0.298 4.468 4.170 0.001 0.000 0.334 609 I C 0.026 176.133 176.117 -0.018 0.000 1.371 609 I CA -0.191 61.066 61.300 -0.073 0.000 1.110 609 I CB 0.589 38.522 38.000 -0.112 0.000 1.085 609 I HN -0.120 nan 8.210 nan 0.000 0.398 610 N N 1.842 120.569 118.700 0.046 0.000 2.722 610 N HA 0.202 4.942 4.740 0.001 0.000 0.242 610 N C -0.637 174.909 175.510 0.059 0.000 1.398 610 N CA -0.342 52.741 53.050 0.054 0.000 0.755 610 N CB 0.398 38.944 38.487 0.099 0.000 1.268 610 N HN 0.081 nan 8.380 nan 0.000 0.522 611 N N 1.592 120.314 118.700 0.036 0.000 2.892 611 N HA 0.087 4.827 4.740 0.001 0.000 0.300 611 N C -0.987 174.549 175.510 0.044 0.000 1.211 611 N CA 0.327 53.400 53.050 0.039 0.000 1.158 611 N CB 0.038 38.542 38.487 0.027 0.000 1.455 611 N HN 0.414 nan 8.380 nan 0.000 0.524 612 R N 1.465 121.996 120.500 0.052 0.000 2.670 612 R HA 0.303 4.644 4.340 0.001 0.000 0.289 612 R C -1.526 174.798 176.300 0.041 0.000 0.965 612 R CA -1.816 54.315 56.100 0.051 0.000 0.899 612 R CB 1.699 32.032 30.300 0.055 0.000 1.173 612 R HN 0.226 nan 8.270 nan 0.000 0.456 613 P HA -0.261 nan 4.420 nan 0.000 0.217 613 P C 0.872 178.174 177.300 0.004 0.000 1.151 613 P CA 1.637 64.745 63.100 0.014 0.000 0.849 613 P CB 0.260 31.962 31.700 0.003 0.000 0.787 614 A N -0.619 122.199 122.820 -0.005 0.000 2.066 614 A HA -0.010 4.310 4.320 0.001 0.000 0.218 614 A C 1.300 178.889 177.584 0.010 0.000 1.157 614 A CA 0.897 52.922 52.037 -0.020 0.000 0.670 614 A CB -1.535 17.434 19.000 -0.052 0.000 0.804 614 A HN 0.205 nan 8.150 nan 0.000 0.453 615 T N 3.394 117.973 114.554 0.042 0.000 2.853 615 T HA 0.318 4.668 4.350 0.001 0.000 0.298 615 T C -2.382 172.361 174.700 0.072 0.000 0.978 615 T CA -0.579 61.563 62.100 0.070 0.000 1.152 615 T CB 0.637 69.566 68.868 0.102 0.000 0.914 615 T HN 0.277 nan 8.240 nan 0.000 0.539 616 P HA 0.108 nan 4.420 nan 0.000 0.268 616 P C 0.284 177.661 177.300 0.129 0.000 1.204 616 P CA -0.262 62.887 63.100 0.082 0.000 0.768 616 P CB 0.736 32.475 31.700 0.066 0.000 0.842 617 S N 0.212 115.971 115.700 0.098 0.000 2.577 617 S HA 0.055 4.525 4.470 0.001 0.000 0.219 617 S C 0.641 175.297 174.600 0.094 0.000 0.962 617 S CA -0.287 57.970 58.200 0.095 0.000 0.921 617 S CB -0.835 62.404 63.200 0.065 0.000 0.789 617 S HN 0.394 nan 8.310 nan 0.000 0.497 618 T N 3.713 118.332 114.554 0.108 0.000 2.908 618 T HA 0.407 4.758 4.350 0.001 0.000 0.301 618 T C 0.496 175.259 174.700 0.104 0.000 1.019 618 T CA 0.358 62.517 62.100 0.099 0.000 1.152 618 T CB 0.461 69.394 68.868 0.108 0.000 0.966 618 T HN 0.564 nan 8.240 nan 0.000 0.540 619 A N 3.250 126.113 122.820 0.071 0.000 2.354 619 A HA 0.622 4.943 4.320 0.001 0.000 0.269 619 A C 0.205 177.823 177.584 0.057 0.000 1.109 619 A CA -0.667 51.402 52.037 0.052 0.000 0.800 619 A CB 0.229 19.249 19.000 0.034 0.000 1.045 619 A HN 0.898 nan 8.150 nan 0.000 0.489 620 V N -0.361 119.577 119.914 0.040 0.000 2.876 620 V HA 0.888 5.008 4.120 0.001 0.000 0.312 620 V C -0.343 175.757 176.094 0.010 0.000 1.085 620 V CA -0.508 61.816 62.300 0.041 0.000 0.945 620 V CB 1.672 33.535 31.823 0.067 0.000 1.017 620 V HN 0.774 nan 8.190 nan 0.000 0.428 621 T N 4.128 118.689 114.554 0.010 0.000 2.841 621 T HA 0.736 5.086 4.350 0.001 0.000 0.285 621 T C -0.641 174.046 174.700 -0.021 0.000 0.991 621 T CA -0.656 61.443 62.100 -0.002 0.000 0.966 621 T CB 1.396 70.263 68.868 -0.002 0.000 0.962 621 T HN 0.761 nan 8.240 nan 0.000 0.438 622 R N 2.556 123.038 120.500 -0.030 0.000 2.795 622 R HA 0.537 4.877 4.340 0.001 0.000 0.275 622 R C -0.708 175.468 176.300 -0.206 0.000 0.981 622 R CA -0.979 55.035 56.100 -0.142 0.000 0.917 622 R CB 1.368 31.548 30.300 -0.201 0.000 1.202 622 R HN 0.527 nan 8.270 nan 0.000 0.469 623 N N 1.304 119.789 118.700 -0.358 0.000 2.487 623 N HA 0.421 5.162 4.740 0.001 0.000 0.292 623 N C -0.909 174.254 175.510 -0.579 0.000 1.108 623 N CA -0.099 52.771 53.050 -0.300 0.000 0.956 623 N CB 1.181 39.548 38.487 -0.200 0.000 1.176 623 N HN 0.358 nan 8.380 nan 0.000 0.484 624 Y N -0.501 119.722 120.300 -0.129 0.000 2.534 624 Y HA 0.265 4.815 4.550 0.001 0.000 0.345 624 Y C -0.193 175.606 175.900 -0.169 0.000 1.031 624 Y CA -0.957 57.056 58.100 -0.145 0.000 1.022 624 Y CB 1.926 40.296 38.460 -0.150 0.000 1.292 624 Y HN 0.375 nan 8.280 nan 0.000 0.459 625 E N 1.259 121.442 120.200 -0.029 0.000 2.155 625 E HA 0.522 4.872 4.350 0.001 0.000 0.264 625 E C -1.535 175.022 176.600 -0.071 0.000 0.886 625 E CA -0.491 55.799 56.400 -0.184 0.000 0.752 625 E CB 1.141 30.615 29.700 -0.375 0.000 1.133 625 E HN 0.549 nan 8.360 nan 0.000 0.414 626 T N 5.489 120.035 114.554 -0.013 0.000 2.807 626 T HA 0.578 4.929 4.350 0.001 0.000 0.279 626 T C -0.176 174.640 174.700 0.193 0.000 0.993 626 T CA -0.684 61.471 62.100 0.092 0.000 0.970 626 T CB 0.634 69.566 68.868 0.107 0.000 0.950 626 T HN 0.444 nan 8.240 nan 0.000 0.441 627 M N 3.174 122.866 119.600 0.153 0.000 2.327 627 M HA 0.695 5.175 4.480 0.001 0.000 0.298 627 M C -1.434 174.964 176.300 0.164 0.000 1.065 627 M CA -0.794 54.530 55.300 0.041 0.000 0.916 627 M CB 2.263 34.775 32.600 -0.147 0.000 1.630 627 M HN 0.900 nan 8.290 nan 0.000 0.442 628 W N 2.016 123.211 121.300 -0.175 0.000 3.074 628 W HA 0.834 5.494 4.660 0.001 0.000 0.332 628 W C -2.425 173.963 176.519 -0.219 0.000 1.253 628 W CA -0.927 56.300 57.345 -0.196 0.000 1.180 628 W CB 0.642 30.002 29.460 -0.168 0.000 1.445 628 W HN 0.475 nan 8.180 nan 0.000 0.573 629 I N 2.518 123.018 120.570 -0.117 0.000 2.354 629 I HA 0.146 4.317 4.170 0.001 0.000 0.292 629 I C -0.486 175.437 176.117 -0.323 0.000 0.989 629 I CA -0.502 60.624 61.300 -0.290 0.000 1.188 629 I CB 1.250 39.096 38.000 -0.256 0.000 1.342 629 I HN 0.436 nan 8.210 nan 0.000 0.457 630 D N 4.730 124.966 120.400 -0.272 0.000 2.295 630 D HA 0.161 4.801 4.640 0.001 0.000 0.248 630 D C 0.441 176.602 176.300 -0.230 0.000 1.154 630 D CA 0.105 54.014 54.000 -0.151 0.000 0.857 630 D CB 0.649 41.420 40.800 -0.049 0.000 1.117 630 D HN 0.466 nan 8.370 nan 0.000 0.468 631 H N 2.594 121.704 119.070 0.067 0.000 2.551 631 H HA 0.381 4.937 4.556 0.001 0.000 0.271 631 H C 1.272 176.619 175.328 0.030 0.000 0.984 631 H CA 0.119 56.198 56.048 0.052 0.000 1.164 631 H CB 0.506 30.311 29.762 0.072 0.000 1.437 631 H HN 0.656 nan 8.280 nan 0.000 0.550 632 G N 0.408 109.261 108.800 0.087 0.000 2.782 632 G HA2 -0.262 3.699 3.960 0.001 0.000 0.228 632 G HA3 -0.262 3.699 3.960 0.001 0.000 0.228 632 G C -0.263 174.667 174.900 0.050 0.000 1.372 632 G CA -0.392 44.739 45.100 0.052 0.000 0.862 632 G HN 0.229 nan 8.290 nan 0.000 0.547 633 T N 0.909 115.476 114.554 0.022 0.000 2.856 633 T HA 0.514 4.864 4.350 0.001 0.000 0.292 633 T C 0.886 175.597 174.700 0.018 0.000 0.980 633 T CA 0.682 62.788 62.100 0.010 0.000 1.091 633 T CB 0.344 69.207 68.868 -0.009 0.000 0.936 633 T HN 1.075 nan 8.240 nan 0.000 0.503 634 N N 1.510 120.223 118.700 0.021 0.000 2.738 634 N HA -0.123 4.618 4.740 0.001 0.000 0.249 634 N C -2.562 172.963 175.510 0.025 0.000 1.047 634 N CA -0.340 52.724 53.050 0.023 0.000 0.707 634 N CB -0.649 37.846 38.487 0.013 0.000 0.937 634 N HN 0.459 nan 8.380 nan 0.000 0.545 635 P HA 0.089 nan 4.420 nan 0.000 0.272 635 P C -0.506 176.796 177.300 0.004 0.000 1.240 635 P CA 0.102 63.219 63.100 0.030 0.000 0.791 635 P CB 1.455 33.186 31.700 0.051 0.000 0.978 636 S N -0.211 115.484 115.700 -0.008 0.000 2.779 636 S HA 0.520 4.990 4.470 0.001 0.000 0.293 636 S C 0.555 175.133 174.600 -0.037 0.000 1.150 636 S CA 0.241 58.428 58.200 -0.021 0.000 1.057 636 S CB -0.443 62.749 63.200 -0.013 0.000 1.021 636 S HN 0.906 nan 8.310 nan 0.000 0.485 637 G N 2.991 111.754 108.800 -0.061 0.000 2.198 637 G HA2 -0.137 3.824 3.960 0.001 0.000 0.260 637 G HA3 -0.137 3.824 3.960 0.001 0.000 0.260 637 G C 0.442 175.290 174.900 -0.088 0.000 1.025 637 G CA 0.238 45.291 45.100 -0.078 0.000 0.769 637 G HN 1.337 nan 8.290 nan 0.000 0.507 638 A N -0.568 122.190 122.820 -0.103 0.000 2.386 638 A HA 0.874 5.195 4.320 0.001 0.000 0.246 638 A C 0.879 178.354 177.584 -0.182 0.000 1.089 638 A CA 1.029 52.998 52.037 -0.115 0.000 0.790 638 A CB 0.656 19.568 19.000 -0.147 0.000 1.042 638 A HN 2.191 nan 8.150 nan 0.000 0.497 639 S N -1.152 114.475 115.700 -0.122 0.000 2.615 639 S HA 0.774 5.245 4.470 0.001 0.000 0.269 639 S C -0.991 173.652 174.600 0.071 0.000 1.161 639 S CA -0.330 57.780 58.200 -0.150 0.000 0.817 639 S CB 1.134 64.246 63.200 -0.146 0.000 1.131 639 S HN 1.887 nan 8.310 nan 0.000 0.467 640 Y N -1.979 118.366 120.300 0.074 0.000 2.638 640 Y HA 0.907 5.457 4.550 0.001 0.000 0.335 640 Y C -0.555 175.435 175.900 0.151 0.000 1.155 640 Y CA -0.800 57.415 58.100 0.192 0.000 1.046 640 Y CB 1.062 39.721 38.460 0.333 0.000 1.303 640 Y HN 1.261 nan 8.280 nan 0.000 0.460 641 G N 1.578 110.670 108.800 0.487 0.000 2.608 641 G HA2 0.528 4.488 3.960 0.001 0.000 0.285 641 G HA3 0.528 4.488 3.960 0.001 0.000 0.285 641 G C -2.306 172.817 174.900 0.372 0.000 1.407 641 G CA -0.756 44.527 45.100 0.304 0.000 1.276 641 G HN 1.130 nan 8.290 nan 0.000 0.587 642 Y N -0.056 120.348 120.300 0.174 0.000 2.588 642 Y HA 0.816 5.367 4.550 0.001 0.000 0.343 642 Y C -1.221 174.682 175.900 0.005 0.000 1.065 642 Y CA -1.789 56.270 58.100 -0.069 0.000 1.038 642 Y CB 1.738 40.074 38.460 -0.207 0.000 1.297 642 Y HN 0.388 nan 8.280 nan 0.000 0.467 643 V N 3.612 123.579 119.914 0.089 0.000 2.487 643 V HA 0.406 4.526 4.120 0.001 0.000 0.298 643 V C -0.358 175.783 176.094 0.078 0.000 1.028 643 V CA -0.916 61.443 62.300 0.099 0.000 0.860 643 V CB 1.572 33.511 31.823 0.193 0.000 0.991 643 V HN 0.759 nan 8.190 nan 0.000 0.427 644 L N 5.709 126.959 121.223 0.044 0.000 2.276 644 L HA 0.515 4.855 4.340 0.001 0.000 0.286 644 L C -0.582 176.153 176.870 -0.225 0.000 1.061 644 L CA -0.293 54.499 54.840 -0.081 0.000 0.807 644 L CB 1.020 43.076 42.059 -0.005 0.000 1.177 644 L HN 0.484 nan 8.230 nan 0.000 0.429 645 L N 5.875 126.894 121.223 -0.341 0.000 2.408 645 L HA 0.390 4.730 4.340 0.001 0.000 0.257 645 L C -2.309 174.352 176.870 -0.348 0.000 1.053 645 L CA -1.799 52.828 54.840 -0.355 0.000 0.922 645 L CB 1.159 42.990 42.059 -0.380 0.000 1.261 645 L HN 0.324 nan 8.230 nan 0.000 0.458 646 P HA 0.100 nan 4.420 nan 0.000 0.272 646 P C -0.093 177.085 177.300 -0.204 0.000 1.223 646 P CA -0.107 62.743 63.100 -0.417 0.000 0.784 646 P CB 0.356 31.523 31.700 -0.888 0.000 0.923 647 N N -1.147 117.503 118.700 -0.082 0.000 2.696 647 N HA -0.224 4.517 4.740 0.001 0.000 0.249 647 N C -0.369 175.158 175.510 0.029 0.000 1.090 647 N CA 1.268 54.331 53.050 0.021 0.000 0.716 647 N CB -1.341 37.195 38.487 0.083 0.000 1.020 647 N HN 0.561 nan 8.380 nan 0.000 0.548 648 K N 0.607 121.016 120.400 0.016 0.000 2.182 648 K HA 0.319 4.639 4.320 0.001 0.000 0.262 648 K C 0.768 177.401 176.600 0.055 0.000 0.957 648 K CA -0.472 55.818 56.287 0.005 0.000 0.842 648 K CB 1.294 33.756 32.500 -0.064 0.000 1.099 648 K HN 0.209 nan 8.250 nan 0.000 0.438 649 T N -1.223 113.306 114.554 -0.040 0.000 2.788 649 T HA 0.002 4.353 4.350 0.001 0.000 0.287 649 T C 1.409 175.796 174.700 -0.523 0.000 1.007 649 T CA -0.396 61.606 62.100 -0.163 0.000 1.005 649 T CB 1.462 70.275 68.868 -0.091 0.000 1.012 649 T HN 0.474 nan 8.240 nan 0.000 0.530 650 S N 0.677 115.853 115.700 -0.873 0.000 2.365 650 S HA -0.172 4.298 4.470 0.001 0.000 0.225 650 S C 2.359 176.777 174.600 -0.304 0.000 1.039 650 S CA 1.628 59.444 58.200 -0.640 0.000 1.033 650 S CB -1.282 61.801 63.200 -0.196 0.000 0.887 650 S HN 0.941 nan 8.310 nan 0.000 0.447 651 A N 0.579 123.280 122.820 -0.199 0.000 1.902 651 A HA -0.146 4.174 4.320 0.001 0.000 0.217 651 A C 2.144 179.599 177.584 -0.215 0.000 1.181 651 A CA 1.751 53.700 52.037 -0.148 0.000 0.623 651 A CB -0.798 18.156 19.000 -0.076 0.000 0.818 651 A HN 0.727 nan 8.150 nan 0.000 0.443 652 Q N -0.636 119.041 119.800 -0.204 0.000 2.167 652 Q HA -0.071 4.269 4.340 0.001 0.000 0.202 652 Q C 2.049 177.901 176.000 -0.247 0.000 0.970 652 Q CA 1.383 57.083 55.803 -0.172 0.000 0.855 652 Q CB -0.218 28.457 28.738 -0.105 0.000 0.911 652 Q HN 0.514 nan 8.270 nan 0.000 0.438 653 V N 0.015 119.700 119.914 -0.382 0.000 2.427 653 V HA -0.156 3.964 4.120 0.001 0.000 0.248 653 V C 2.127 177.658 176.094 -0.938 0.000 1.051 653 V CA 1.908 63.909 62.300 -0.497 0.000 1.048 653 V CB -0.882 30.722 31.823 -0.366 0.000 0.666 653 V HN 0.499 nan 8.190 nan 0.000 0.456 654 G N -0.481 107.574 108.800 -1.242 0.000 2.403 654 G HA2 -0.109 3.851 3.960 0.001 0.000 0.216 654 G HA3 -0.109 3.851 3.960 0.001 0.000 0.216 654 G C 1.766 176.392 174.900 -0.456 0.000 1.154 654 G CA 0.906 45.334 45.100 -1.119 0.000 0.784 654 G HN 0.570 nan 8.290 nan 0.000 0.538 655 A N 0.276 122.908 122.820 -0.314 0.000 1.883 655 A HA -0.090 4.231 4.320 0.001 0.000 0.217 655 A C 2.181 179.658 177.584 -0.178 0.000 1.186 655 A CA 1.740 53.671 52.037 -0.178 0.000 0.624 655 A CB -0.816 18.110 19.000 -0.124 0.000 0.822 655 A HN 0.445 nan 8.150 nan 0.000 0.444 656 Y N 0.585 120.698 120.300 -0.313 0.000 2.097 656 Y HA -0.178 4.372 4.550 0.001 0.000 0.282 656 Y C 2.706 178.353 175.900 -0.422 0.000 1.152 656 Y CA 1.706 59.613 58.100 -0.322 0.000 1.136 656 Y CB -0.542 37.728 38.460 -0.317 0.000 0.975 656 Y HN 0.318 nan 8.280 nan 0.000 0.498 657 A N 0.292 122.927 122.820 -0.309 0.000 2.032 657 A HA -0.196 4.124 4.320 0.001 0.000 0.221 657 A C 2.318 179.793 177.584 -0.182 0.000 1.165 657 A CA 1.872 53.726 52.037 -0.304 0.000 0.645 657 A CB -1.436 17.574 19.000 0.016 0.000 0.807 657 A HN 0.629 nan 8.150 nan 0.000 0.453 658 A N -1.530 121.188 122.820 -0.170 0.000 2.066 658 A HA 0.124 4.445 4.320 0.001 0.000 0.218 658 A C 0.947 178.440 177.584 -0.151 0.000 1.157 658 A CA 1.575 53.551 52.037 -0.101 0.000 0.670 658 A CB -0.052 18.900 19.000 -0.080 0.000 0.804 658 A HN 0.429 nan 8.150 nan 0.000 0.453 659 D N -1.120 119.113 120.400 -0.278 0.000 3.036 659 D HA 0.177 4.818 4.640 0.001 0.000 0.244 659 D C -3.039 172.945 176.300 -0.526 0.000 1.337 659 D CA -1.303 52.521 54.000 -0.293 0.000 0.829 659 D CB 0.716 41.393 40.800 -0.205 0.000 1.478 659 D HN 0.076 nan 8.370 nan 0.000 0.570 660 P HA 0.138 nan 4.420 nan 0.000 0.265 660 P C 0.631 177.564 177.300 -0.612 0.000 1.193 660 P CA -0.154 62.291 63.100 -1.093 0.000 0.765 660 P CB 1.570 32.831 31.700 -0.731 0.000 0.823 661 A N 3.993 126.458 122.820 -0.592 0.000 2.067 661 A HA 0.027 4.347 4.320 0.001 0.000 0.217 661 A C 1.241 178.766 177.584 -0.097 0.000 1.156 661 A CA 0.689 52.603 52.037 -0.205 0.000 0.683 661 A CB -0.844 18.127 19.000 -0.049 0.000 0.808 661 A HN 0.691 nan 8.150 nan 0.000 0.455 662 I N -3.218 117.366 120.570 0.024 0.000 2.577 662 I HA 0.661 4.831 4.170 0.001 0.000 0.305 662 I C -0.337 175.807 176.117 0.046 0.000 0.986 662 I CA -0.929 60.410 61.300 0.064 0.000 1.189 662 I CB 1.531 39.690 38.000 0.265 0.000 1.355 662 I HN 0.124 nan 8.210 nan 0.000 0.476 663 E N 5.347 125.550 120.200 0.005 0.000 2.260 663 E HA 0.429 4.779 4.350 0.001 0.000 0.266 663 E C -1.378 175.207 176.600 -0.025 0.000 0.887 663 E CA -0.705 55.696 56.400 0.001 0.000 0.777 663 E CB 1.511 31.190 29.700 -0.034 0.000 1.205 663 E HN 0.765 nan 8.360 nan 0.000 0.414 664 I N 5.228 125.795 120.570 -0.005 0.000 2.581 664 I HA -0.036 4.135 4.170 0.001 0.000 0.285 664 I C 1.212 177.292 176.117 -0.062 0.000 1.129 664 I CA -0.094 61.176 61.300 -0.050 0.000 1.397 664 I CB 0.936 38.927 38.000 -0.015 0.000 1.399 664 I HN 0.536 nan 8.210 nan 0.000 0.537 665 V N 7.755 127.607 119.914 -0.103 0.000 2.446 665 V HA 0.066 4.187 4.120 0.001 0.000 0.244 665 V C 0.644 176.697 176.094 -0.068 0.000 1.039 665 V CA 1.434 63.684 62.300 -0.082 0.000 1.045 665 V CB -0.149 31.614 31.823 -0.100 0.000 0.681 665 V HN 0.670 nan 8.190 nan 0.000 0.459 666 V N -0.422 119.443 119.914 -0.083 0.000 3.098 666 V HA 0.758 4.878 4.120 0.001 0.000 0.294 666 V C -1.102 174.958 176.094 -0.057 0.000 1.351 666 V CA -0.653 61.611 62.300 -0.061 0.000 0.999 666 V CB 2.203 33.989 31.823 -0.062 0.000 1.104 666 V HN 0.062 nan 8.190 nan 0.000 0.438 667 N N 2.068 120.740 118.700 -0.047 0.000 2.673 667 N HA 0.470 5.211 4.740 0.001 0.000 0.265 667 N C -0.329 175.141 175.510 -0.067 0.000 1.709 667 N CA 0.560 53.575 53.050 -0.058 0.000 0.792 667 N CB 1.253 39.694 38.487 -0.076 0.000 1.286 667 N HN 1.187 nan 8.380 nan 0.000 0.506 668 T N -2.937 111.591 114.554 -0.043 0.000 2.922 668 T HA 0.371 4.721 4.350 0.001 0.000 0.281 668 T C 1.382 176.048 174.700 -0.058 0.000 1.005 668 T CA -0.111 61.961 62.100 -0.047 0.000 0.982 668 T CB 0.970 69.829 68.868 -0.016 0.000 1.158 668 T HN 0.075 nan 8.240 nan 0.000 0.566 669 S N -1.056 114.596 115.700 -0.079 0.000 2.522 669 S HA 0.152 4.622 4.470 0.001 0.000 0.227 669 S C 1.915 176.509 174.600 -0.008 0.000 0.986 669 S CA 0.553 58.672 58.200 -0.136 0.000 0.929 669 S CB -0.883 62.232 63.200 -0.142 0.000 0.769 669 S HN 1.016 nan 8.310 nan 0.000 0.529 670 G N 0.230 109.078 108.800 0.080 0.000 2.490 670 G HA2 0.361 4.322 3.960 0.001 0.000 0.211 670 G HA3 0.361 4.322 3.960 0.001 0.000 0.211 670 G C 0.173 175.222 174.900 0.248 0.000 1.159 670 G CA 0.679 45.883 45.100 0.174 0.000 0.819 670 G HN 0.642 nan 8.290 nan 0.000 0.539 671 V N -0.052 119.949 119.914 0.145 0.000 2.851 671 V HA 0.596 4.716 4.120 0.001 0.000 0.307 671 V C -2.056 174.040 176.094 0.003 0.000 1.129 671 V CA -0.886 61.407 62.300 -0.011 0.000 0.932 671 V CB 2.170 33.884 31.823 -0.182 0.000 1.024 671 V HN 0.304 nan 8.190 nan 0.000 0.426 672 Q N 3.728 123.524 119.800 -0.006 0.000 2.309 672 Q HA 0.675 5.015 4.340 0.001 0.000 0.270 672 Q C -1.069 174.967 176.000 0.061 0.000 1.023 672 Q CA -0.281 55.571 55.803 0.083 0.000 0.758 672 Q CB 2.100 30.986 28.738 0.248 0.000 1.247 672 Q HN 0.757 nan 8.270 nan 0.000 0.455 673 S N 1.982 117.621 115.700 -0.101 0.000 2.549 673 S HA 0.770 5.240 4.470 0.001 0.000 0.280 673 S C -1.323 172.991 174.600 -0.477 0.000 1.109 673 S CA -0.488 57.549 58.200 -0.270 0.000 0.905 673 S CB 1.598 64.680 63.200 -0.196 0.000 1.081 673 S HN 0.329 nan 8.310 nan 0.000 0.477 674 V N 3.925 123.396 119.914 -0.738 0.000 2.841 674 V HA 0.609 4.730 4.120 0.001 0.000 0.310 674 V C -0.551 175.410 176.094 -0.222 0.000 1.090 674 V CA -0.858 61.125 62.300 -0.528 0.000 0.930 674 V CB 2.153 33.497 31.823 -0.798 0.000 1.014 674 V HN 0.889 nan 8.190 nan 0.000 0.425 675 K N 2.479 122.795 120.400 -0.141 0.000 2.270 675 K HA 0.512 4.832 4.320 0.001 0.000 0.255 675 K C -0.965 175.467 176.600 -0.279 0.000 0.936 675 K CA -0.579 55.607 56.287 -0.168 0.000 0.809 675 K CB 1.803 34.226 32.500 -0.128 0.000 1.131 675 K HN 0.655 nan 8.250 nan 0.000 0.427 676 E N 4.798 124.688 120.200 -0.515 0.000 2.121 676 E HA 0.050 4.401 4.350 0.001 0.000 0.255 676 E C 0.276 176.651 176.600 -0.375 0.000 0.906 676 E CA -0.077 55.936 56.400 -0.645 0.000 0.745 676 E CB 1.303 30.185 29.700 -1.363 0.000 1.155 676 E HN 0.755 nan 8.360 nan 0.000 0.424 677 K N 2.240 122.497 120.400 -0.238 0.000 2.032 677 K HA -0.220 4.100 4.320 0.001 0.000 0.218 677 K C 1.258 177.767 176.600 -0.150 0.000 1.054 677 K CA 2.391 58.579 56.287 -0.164 0.000 0.941 677 K CB 0.082 32.503 32.500 -0.132 0.000 0.720 677 K HN 0.320 nan 8.250 nan 0.000 0.449 678 T N 1.788 116.253 114.554 -0.148 0.000 2.665 678 T HA -0.145 4.206 4.350 0.001 0.000 0.268 678 T C 1.710 176.342 174.700 -0.113 0.000 1.035 678 T CA 1.760 63.794 62.100 -0.109 0.000 1.151 678 T CB -0.102 68.718 68.868 -0.081 0.000 0.862 678 T HN 0.248 nan 8.240 nan 0.000 0.438 679 L N 0.097 121.211 121.223 -0.180 0.000 2.558 679 L HA 0.311 4.651 4.340 0.001 0.000 0.225 679 L C 1.822 178.589 176.870 -0.173 0.000 1.128 679 L CA 0.253 54.982 54.840 -0.185 0.000 0.868 679 L CB -0.440 41.424 42.059 -0.325 0.000 1.006 679 L HN 0.471 nan 8.230 nan 0.000 0.454 680 G N 1.198 109.895 108.800 -0.173 0.000 2.176 680 G HA2 -0.276 3.684 3.960 0.001 0.000 0.252 680 G HA3 -0.276 3.684 3.960 0.001 0.000 0.252 680 G C 0.011 174.831 174.900 -0.134 0.000 1.024 680 G CA -0.054 44.973 45.100 -0.122 0.000 0.755 680 G HN 0.236 nan 8.290 nan 0.000 0.507 681 L N -0.268 120.809 121.223 -0.243 0.000 2.325 681 L HA 0.707 5.047 4.340 0.001 0.000 0.279 681 L C 0.204 176.986 176.870 -0.146 0.000 1.054 681 L CA -1.112 53.604 54.840 -0.207 0.000 0.804 681 L CB 1.960 43.801 42.059 -0.363 0.000 1.200 681 L HN -0.040 nan 8.230 nan 0.000 0.436 682 V N 1.879 121.793 119.914 -0.000 0.000 2.524 682 V HA 0.606 4.727 4.120 0.001 0.000 0.297 682 V C 0.191 176.366 176.094 0.134 0.000 1.035 682 V CA -0.537 61.781 62.300 0.030 0.000 0.867 682 V CB 1.673 33.510 31.823 0.022 0.000 1.004 682 V HN 0.862 nan 8.190 nan 0.000 0.426 683 G N 2.895 111.788 108.800 0.155 0.000 2.420 683 G HA2 0.845 4.805 3.960 0.001 0.000 0.331 683 G HA3 0.845 4.805 3.960 0.001 0.000 0.331 683 G C -0.794 174.233 174.900 0.211 0.000 1.168 683 G CA -0.352 44.925 45.100 0.295 0.000 0.936 683 G HN 1.223 nan 8.290 nan 0.000 0.479 684 A N 1.665 124.638 122.820 0.256 0.000 2.465 684 A HA 0.669 4.990 4.320 0.001 0.000 0.292 684 A C -0.757 176.796 177.584 -0.052 0.000 1.041 684 A CA -0.802 51.236 52.037 0.001 0.000 0.718 684 A CB 1.165 20.024 19.000 -0.236 0.000 1.266 684 A HN 0.663 nan 8.150 nan 0.000 0.403 685 N N 1.311 119.894 118.700 -0.195 0.000 2.444 685 N HA 0.563 5.303 4.740 0.001 0.000 0.262 685 N C -1.603 173.544 175.510 -0.605 0.000 0.974 685 N CA -0.176 52.695 53.050 -0.300 0.000 0.933 685 N CB 1.066 39.237 38.487 -0.527 0.000 1.137 685 N HN 0.500 nan 8.380 nan 0.000 0.498 686 F N 1.155 121.004 119.950 -0.168 0.000 2.405 686 F HA 0.268 4.796 4.527 0.001 0.000 0.355 686 F C 0.411 176.194 175.800 -0.029 0.000 1.121 686 F CA -0.738 57.215 58.000 -0.079 0.000 1.112 686 F CB 0.602 39.622 39.000 0.032 0.000 1.126 686 F HN 0.585 nan 8.300 nan 0.000 0.481 687 W N 0.667 122.120 121.300 0.255 0.000 3.211 687 W HA 0.146 4.806 4.660 0.001 0.000 0.292 687 W C 0.628 177.271 176.519 0.207 0.000 1.268 687 W CA 0.013 57.439 57.345 0.134 0.000 1.702 687 W CB 0.156 29.520 29.460 -0.160 0.000 1.092 687 W HN 0.393 nan 8.180 nan 0.000 0.643 688 T N -3.220 111.563 114.554 0.380 0.000 2.916 688 T HA 0.288 4.638 4.350 0.001 0.000 0.292 688 T C -0.375 174.441 174.700 0.193 0.000 1.064 688 T CA -0.812 61.443 62.100 0.258 0.000 1.011 688 T CB 2.252 71.232 68.868 0.186 0.000 1.152 688 T HN -0.272 nan 8.240 nan 0.000 0.510 689 D N 2.478 122.958 120.400 0.133 0.000 2.896 689 D HA 0.288 4.928 4.640 0.001 0.000 0.240 689 D C 0.226 176.556 176.300 0.050 0.000 1.193 689 D CA 0.096 54.142 54.000 0.076 0.000 0.983 689 D CB -0.108 40.726 40.800 0.057 0.000 1.074 689 D HN 0.799 nan 8.370 nan 0.000 0.496 690 T N -3.238 111.350 114.554 0.057 0.000 2.900 690 T HA 0.353 4.703 4.350 0.001 0.000 0.303 690 T C 0.113 174.827 174.700 0.024 0.000 1.142 690 T CA -0.780 61.343 62.100 0.038 0.000 1.007 690 T CB 1.769 70.671 68.868 0.057 0.000 1.156 690 T HN -0.161 nan 8.240 nan 0.000 0.490 691 T N 3.245 117.798 114.554 -0.001 0.000 2.853 691 T HA 0.359 4.709 4.350 0.001 0.000 0.298 691 T C -0.200 174.517 174.700 0.027 0.000 0.978 691 T CA -0.072 62.013 62.100 -0.024 0.000 1.152 691 T CB 0.084 68.930 68.868 -0.035 0.000 0.914 691 T HN 0.610 nan 8.240 nan 0.000 0.539 692 Q N 1.245 121.075 119.800 0.050 0.000 2.416 692 Q HA 0.505 4.845 4.340 0.001 0.000 0.281 692 Q C -0.977 175.163 176.000 0.234 0.000 1.067 692 Q CA -0.869 55.036 55.803 0.170 0.000 0.809 692 Q CB 2.605 31.533 28.738 0.316 0.000 1.418 692 Q HN 0.526 nan 8.270 nan 0.000 0.411 693 T N 0.721 115.403 114.554 0.214 0.000 2.863 693 T HA 0.765 5.115 4.350 0.001 0.000 0.285 693 T C -1.344 173.457 174.700 0.169 0.000 1.009 693 T CA -0.606 61.613 62.100 0.199 0.000 0.989 693 T CB 1.493 70.412 68.868 0.085 0.000 1.004 693 T HN 0.587 nan 8.240 nan 0.000 0.455 694 A N 2.926 125.843 122.820 0.161 0.000 2.569 694 A HA 0.669 4.990 4.320 0.001 0.000 0.282 694 A C 0.060 177.672 177.584 0.046 0.000 1.165 694 A CA -0.450 51.611 52.037 0.040 0.000 0.747 694 A CB 0.126 19.074 19.000 -0.087 0.000 1.215 694 A HN 0.997 nan 8.150 nan 0.000 0.431 695 D N 0.356 120.767 120.400 0.020 0.000 3.955 695 D HA -0.312 4.328 4.640 0.001 0.000 0.142 695 D C 1.249 177.563 176.300 0.024 0.000 0.877 695 D CA 2.761 56.767 54.000 0.011 0.000 1.100 695 D CB -0.930 39.868 40.800 -0.003 0.000 0.533 695 D HN 1.098 nan 8.370 nan 0.000 0.546 696 L N -0.367 120.871 121.223 0.024 0.000 2.313 696 L HA 0.333 4.673 4.340 0.001 0.000 0.214 696 L C 0.972 177.862 176.870 0.034 0.000 1.119 696 L CA 0.252 55.103 54.840 0.019 0.000 0.809 696 L CB -0.391 41.676 42.059 0.012 0.000 0.933 696 L HN 0.253 nan 8.230 nan 0.000 0.449 697 I N 1.501 122.121 120.570 0.084 0.000 2.371 697 I HA 0.216 4.387 4.170 0.001 0.000 0.290 697 I C -0.244 175.957 176.117 0.141 0.000 1.028 697 I CA 0.099 61.474 61.300 0.125 0.000 1.345 697 I CB 1.233 39.387 38.000 0.256 0.000 1.407 697 I HN 0.007 nan 8.210 nan 0.000 0.501 698 T N 4.539 119.084 114.554 -0.016 0.000 2.824 698 T HA 0.424 4.774 4.350 0.001 0.000 0.282 698 T C -0.516 173.987 174.700 -0.328 0.000 0.993 698 T CA -0.567 61.478 62.100 -0.092 0.000 0.967 698 T CB 1.685 70.498 68.868 -0.091 0.000 0.960 698 T HN 0.612 nan 8.240 nan 0.000 0.441 699 S N 1.219 116.594 115.700 -0.542 0.000 2.548 699 S HA 0.435 4.905 4.470 0.001 0.000 0.286 699 S C 0.535 174.880 174.600 -0.424 0.000 1.098 699 S CA -0.843 56.928 58.200 -0.714 0.000 0.930 699 S CB 0.869 63.151 63.200 -1.530 0.000 1.070 699 S HN 0.877 nan 8.310 nan 0.000 0.480 700 N N 1.987 120.503 118.700 -0.307 0.000 2.205 700 N HA 0.309 5.049 4.740 0.001 0.000 0.201 700 N C -0.003 175.433 175.510 -0.123 0.000 1.128 700 N CA -0.463 52.484 53.050 -0.173 0.000 0.867 700 N CB 0.369 38.771 38.487 -0.141 0.000 0.996 700 N HN 0.293 nan 8.380 nan 0.000 0.503 701 K N 0.274 120.579 120.400 -0.157 0.000 2.499 701 K HA 0.313 4.633 4.320 0.001 0.000 0.277 701 K C -1.142 175.446 176.600 -0.020 0.000 1.025 701 K CA -0.870 55.376 56.287 -0.068 0.000 0.900 701 K CB 1.956 34.410 32.500 -0.078 0.000 1.494 701 K HN -0.092 nan 8.250 nan 0.000 0.442 702 K N 1.021 121.458 120.400 0.062 0.000 2.484 702 K HA 0.317 4.637 4.320 0.001 0.000 0.280 702 K C -0.660 175.938 176.600 -0.004 0.000 1.013 702 K CA 0.191 56.572 56.287 0.155 0.000 1.029 702 K CB 0.541 33.123 32.500 0.137 0.000 0.902 702 K HN 0.601 nan 8.250 nan 0.000 0.481 703 A N 1.687 124.567 122.820 0.100 0.000 2.597 703 A HA 0.416 4.736 4.320 0.001 0.000 0.292 703 A C -1.395 176.303 177.584 0.191 0.000 1.057 703 A CA -0.712 51.333 52.037 0.013 0.000 0.674 703 A CB 1.884 20.872 19.000 -0.020 0.000 1.278 703 A HN 0.437 nan 8.150 nan 0.000 0.416 704 S N 0.236 115.987 115.700 0.086 0.000 2.530 704 S HA 0.685 5.156 4.470 0.001 0.000 0.322 704 S C -1.079 173.650 174.600 0.216 0.000 1.085 704 S CA -0.365 57.942 58.200 0.179 0.000 1.096 704 S CB 0.594 63.851 63.200 0.094 0.000 0.988 704 S HN 1.272 nan 8.310 nan 0.000 0.466 705 V N 6.010 126.101 119.914 0.294 0.000 2.789 705 V HA 0.669 4.789 4.120 0.001 0.000 0.311 705 V C -0.381 175.881 176.094 0.281 0.000 1.073 705 V CA -0.755 61.722 62.300 0.295 0.000 0.921 705 V CB 1.951 33.986 31.823 0.354 0.000 1.009 705 V HN 0.938 nan 8.190 nan 0.000 0.426 706 M N 3.995 123.753 119.600 0.264 0.000 2.271 706 M HA 0.649 5.130 4.480 0.001 0.000 0.285 706 M C -0.754 175.692 176.300 0.244 0.000 1.059 706 M CA -0.076 55.375 55.300 0.252 0.000 0.940 706 M CB 2.322 35.070 32.600 0.247 0.000 1.636 706 M HN 0.907 nan 8.290 nan 0.000 0.460 707 T N 1.204 115.882 114.554 0.206 0.000 2.908 707 T HA 0.700 5.051 4.350 0.001 0.000 0.290 707 T C -0.909 173.876 174.700 0.142 0.000 1.034 707 T CA -0.934 61.279 62.100 0.188 0.000 1.010 707 T CB 2.129 71.094 68.868 0.161 0.000 1.068 707 T HN 0.826 nan 8.240 nan 0.000 0.481 708 R N 0.930 121.516 120.500 0.144 0.000 2.532 708 R HA 0.425 4.765 4.340 0.001 0.000 0.297 708 R C -1.239 175.114 176.300 0.088 0.000 0.984 708 R CA -0.472 55.685 56.100 0.094 0.000 0.884 708 R CB 1.652 32.030 30.300 0.129 0.000 1.182 708 R HN 0.897 nan 8.270 nan 0.000 0.442 709 E N 5.604 125.830 120.200 0.044 0.000 2.176 709 E HA 0.286 4.636 4.350 0.001 0.000 0.267 709 E C -0.789 175.829 176.600 0.029 0.000 0.893 709 E CA -0.784 55.642 56.400 0.044 0.000 0.761 709 E CB 1.166 30.882 29.700 0.027 0.000 1.133 709 E HN 0.414 nan 8.360 nan 0.000 0.409 710 I N 3.625 124.221 120.570 0.043 0.000 2.359 710 I HA 0.239 4.409 4.170 0.001 0.000 0.284 710 I C 0.362 176.496 176.117 0.029 0.000 1.018 710 I CA -0.730 60.591 61.300 0.034 0.000 1.173 710 I CB 0.438 38.465 38.000 0.046 0.000 1.326 710 I HN 0.606 nan 8.210 nan 0.000 0.462 711 A N 5.726 128.556 122.820 0.016 0.000 2.573 711 A HA -0.078 4.243 4.320 0.001 0.000 0.266 711 A C 0.881 178.477 177.584 0.019 0.000 1.007 711 A CA 0.559 52.604 52.037 0.013 0.000 0.878 711 A CB -0.509 18.494 19.000 0.004 0.000 0.886 711 A HN 0.830 nan 8.150 nan 0.000 0.507 712 D N 0.999 121.412 120.400 0.022 0.000 3.039 712 D HA -0.149 4.492 4.640 0.001 0.000 0.222 712 D C 0.879 177.197 176.300 0.031 0.000 1.179 712 D CA 1.815 55.830 54.000 0.025 0.000 0.880 712 D CB -0.396 40.415 40.800 0.018 0.000 1.115 712 D HN 0.819 nan 8.370 nan 0.000 0.416 713 E N -0.617 119.606 120.200 0.038 0.000 2.476 713 E HA 0.180 4.530 4.350 0.001 0.000 0.193 713 E C 1.080 177.715 176.600 0.059 0.000 0.966 713 E CA 0.529 56.955 56.400 0.043 0.000 1.114 713 E CB 0.904 30.628 29.700 0.040 0.000 1.151 713 E HN 0.546 nan 8.360 nan 0.000 0.487 714 R N -0.134 120.409 120.500 0.071 0.000 2.690 714 R HA 0.567 4.908 4.340 0.001 0.000 0.269 714 R C -1.569 174.801 176.300 0.117 0.000 1.037 714 R CA -0.783 55.376 56.100 0.099 0.000 0.877 714 R CB 0.865 31.219 30.300 0.089 0.000 1.255 714 R HN 0.012 nan 8.270 nan 0.000 0.467 715 L N 1.218 122.544 121.223 0.171 0.000 2.345 715 L HA 0.457 4.798 4.340 0.001 0.000 0.274 715 L C -0.685 176.337 176.870 0.253 0.000 0.999 715 L CA -0.139 54.813 54.840 0.188 0.000 0.849 715 L CB 1.696 43.854 42.059 0.166 0.000 1.220 715 L HN 0.703 nan 8.230 nan 0.000 0.422 716 E N 3.107 123.425 120.200 0.198 0.000 2.319 716 E HA 0.780 5.130 4.350 0.001 0.000 0.268 716 E C -0.930 175.800 176.600 0.216 0.000 1.050 716 E CA -0.526 55.988 56.400 0.190 0.000 0.878 716 E CB 1.503 31.368 29.700 0.274 0.000 1.066 716 E HN 0.749 nan 8.360 nan 0.000 0.406 717 A N 1.706 124.608 122.820 0.137 0.000 2.517 717 A HA 0.547 4.867 4.320 0.001 0.000 0.297 717 A C -1.141 176.581 177.584 0.230 0.000 1.050 717 A CA -0.626 51.550 52.037 0.231 0.000 0.694 717 A CB 1.863 21.069 19.000 0.343 0.000 1.277 717 A HN 0.409 nan 8.150 nan 0.000 0.400 718 S N 0.055 115.949 115.700 0.324 0.000 2.536 718 S HA 0.799 5.270 4.470 0.001 0.000 0.287 718 S C -0.904 173.879 174.600 0.305 0.000 1.101 718 S CA -0.527 57.876 58.200 0.338 0.000 0.950 718 S CB 1.851 65.250 63.200 0.331 0.000 1.056 718 S HN 1.020 nan 8.310 nan 0.000 0.481 719 V N 2.310 122.413 119.914 0.316 0.000 2.808 719 V HA 0.826 4.946 4.120 0.001 0.000 0.308 719 V C -0.458 175.802 176.094 0.276 0.000 1.099 719 V CA -0.703 61.761 62.300 0.273 0.000 0.920 719 V CB 2.048 34.033 31.823 0.271 0.000 1.014 719 V HN 0.982 nan 8.190 nan 0.000 0.425 720 S N 1.142 116.943 115.700 0.167 0.000 2.627 720 S HA 0.721 5.191 4.470 0.001 0.000 0.283 720 S C -1.345 173.245 174.600 -0.016 0.000 1.127 720 S CA -0.700 57.577 58.200 0.128 0.000 0.863 720 S CB 2.290 65.535 63.200 0.074 0.000 1.121 720 S HN 0.773 nan 8.310 nan 0.000 0.479 721 D N 1.061 121.434 120.400 -0.045 0.000 2.479 721 D HA 0.499 5.139 4.640 0.001 0.000 0.247 721 D C -1.906 174.238 176.300 -0.259 0.000 1.119 721 D CA -2.337 51.561 54.000 -0.170 0.000 0.922 721 D CB 1.385 42.129 40.800 -0.094 0.000 1.014 721 D HN 0.192 nan 8.370 nan 0.000 0.510 722 P HA -0.166 nan 4.420 nan 0.000 0.217 722 P C 1.383 178.476 177.300 -0.344 0.000 1.148 722 P CA 1.456 64.230 63.100 -0.542 0.000 0.828 722 P CB 0.048 30.972 31.700 -1.292 0.000 0.783 723 T N -3.688 110.646 114.554 -0.367 0.000 2.962 723 T HA -0.182 4.168 4.350 0.001 0.000 0.270 723 T C 1.225 175.879 174.700 -0.077 0.000 1.088 723 T CA 0.699 62.709 62.100 -0.150 0.000 1.127 723 T CB -1.108 67.695 68.868 -0.108 0.000 0.883 723 T HN 0.210 nan 8.240 nan 0.000 0.493 724 Q N -0.480 119.268 119.800 -0.086 0.000 2.468 724 Q HA -0.255 4.085 4.340 0.001 0.000 0.256 724 Q C 0.961 176.951 176.000 -0.016 0.000 0.984 724 Q CA 0.596 56.379 55.803 -0.034 0.000 1.110 724 Q CB -1.941 26.786 28.738 -0.018 0.000 1.527 724 Q HN 0.844 nan 8.270 nan 0.000 0.535 725 A N -0.261 122.543 122.820 -0.027 0.000 2.551 725 A HA 0.105 4.426 4.320 0.001 0.000 0.252 725 A C 0.279 177.855 177.584 -0.014 0.000 1.199 725 A CA -0.226 51.805 52.037 -0.010 0.000 0.972 725 A CB 0.515 19.515 19.000 -0.000 0.000 1.153 725 A HN 0.251 nan 8.150 nan 0.000 0.559 726 N N 2.024 120.707 118.700 -0.029 0.000 2.431 726 N HA 0.014 4.754 4.740 0.001 0.000 0.265 726 N C 0.123 175.619 175.510 -0.024 0.000 1.184 726 N CA 0.434 53.465 53.050 -0.032 0.000 0.943 726 N CB 0.524 38.978 38.487 -0.055 0.000 1.080 726 N HN 0.465 nan 8.380 nan 0.000 0.477 727 N N 2.265 120.954 118.700 -0.018 0.000 2.268 727 N HA 0.148 4.889 4.740 0.001 0.000 0.204 727 N C 0.760 176.257 175.510 -0.021 0.000 1.124 727 N CA -0.204 52.838 53.050 -0.013 0.000 0.838 727 N CB 0.624 39.108 38.487 -0.004 0.000 0.994 727 N HN 0.427 nan 8.380 nan 0.000 0.489 728 G N -0.521 108.258 108.800 -0.035 0.000 3.069 728 G HA2 0.501 4.462 3.960 0.001 0.000 0.205 728 G HA3 0.501 4.462 3.960 0.001 0.000 0.205 728 G C -0.397 174.462 174.900 -0.068 0.000 1.771 728 G CA 0.292 45.366 45.100 -0.043 0.000 0.739 728 G HN 0.432 nan 8.290 nan 0.000 0.784 729 T N -2.349 112.158 114.554 -0.078 0.000 2.804 729 T HA 0.722 5.073 4.350 0.001 0.000 0.290 729 T C -1.144 173.486 174.700 -0.117 0.000 1.099 729 T CA -0.660 61.376 62.100 -0.107 0.000 1.011 729 T CB 1.905 70.713 68.868 -0.099 0.000 1.291 729 T HN 0.297 nan 8.240 nan 0.000 0.523 730 I N 1.155 121.639 120.570 -0.143 0.000 2.439 730 I HA 0.557 4.727 4.170 0.001 0.000 0.285 730 I C 0.020 176.015 176.117 -0.204 0.000 1.021 730 I CA -1.221 59.981 61.300 -0.163 0.000 1.091 730 I CB 1.652 39.557 38.000 -0.158 0.000 1.242 730 I HN 0.969 nan 8.210 nan 0.000 0.439 731 A N 8.217 130.903 122.820 -0.223 0.000 2.269 731 A HA 0.676 4.996 4.320 0.001 0.000 0.302 731 A C -0.388 176.963 177.584 -0.388 0.000 1.266 731 A CA -0.261 51.613 52.037 -0.270 0.000 0.894 731 A CB 0.167 19.048 19.000 -0.198 0.000 1.147 731 A HN 0.531 nan 8.150 nan 0.000 0.537 732 I N 1.454 121.662 120.570 -0.604 0.000 2.562 732 I HA 0.513 4.683 4.170 0.001 0.000 0.301 732 I C 0.120 175.841 176.117 -0.661 0.000 1.003 732 I CA -0.365 60.506 61.300 -0.715 0.000 1.127 732 I CB 1.828 39.210 38.000 -1.029 0.000 1.304 732 I HN 0.854 nan 8.210 nan 0.000 0.446 733 E N 5.574 125.523 120.200 -0.418 0.000 2.263 733 E HA 0.546 4.896 4.350 0.001 0.000 0.268 733 E C -1.951 174.540 176.600 -0.181 0.000 0.884 733 E CA -0.548 55.688 56.400 -0.274 0.000 0.766 733 E CB 1.949 31.534 29.700 -0.192 0.000 1.196 733 E HN 0.478 nan 8.360 nan 0.000 0.416 734 L N 3.331 124.462 121.223 -0.152 0.000 2.313 734 L HA 0.563 4.904 4.340 0.001 0.000 0.283 734 L C 0.377 177.190 176.870 -0.095 0.000 1.013 734 L CA -0.948 53.832 54.840 -0.100 0.000 0.816 734 L CB 1.765 43.760 42.059 -0.107 0.000 1.236 734 L HN 0.707 nan 8.230 nan 0.000 0.419 735 A N 4.351 127.137 122.820 -0.057 0.000 3.004 735 A HA 0.263 4.583 4.320 0.001 0.000 0.252 735 A C 0.250 177.807 177.584 -0.045 0.000 1.802 735 A CA 0.046 52.055 52.037 -0.047 0.000 1.424 735 A CB -0.822 18.162 19.000 -0.027 0.000 1.005 735 A HN 0.607 nan 8.150 nan 0.000 0.631 736 R N -0.620 119.841 120.500 -0.065 0.000 2.774 736 R HA 0.485 4.826 4.340 0.001 0.000 0.272 736 R C -1.058 175.203 176.300 -0.064 0.000 1.000 736 R CA -0.536 55.532 56.100 -0.053 0.000 0.906 736 R CB 1.594 31.866 30.300 -0.048 0.000 1.227 736 R HN 0.256 nan 8.270 nan 0.000 0.468 737 S N 0.376 116.055 115.700 -0.034 0.000 2.433 737 S HA 0.707 5.178 4.470 0.001 0.000 0.310 737 S C -0.653 173.949 174.600 0.003 0.000 1.097 737 S CA -0.371 57.816 58.200 -0.022 0.000 1.103 737 S CB 0.755 63.951 63.200 -0.007 0.000 0.992 737 S HN 0.619 nan 8.310 nan 0.000 0.469 738 A N 3.750 126.578 122.820 0.015 0.000 2.281 738 A HA 0.699 5.020 4.320 0.001 0.000 0.329 738 A C 0.698 178.343 177.584 0.101 0.000 1.122 738 A CA -0.474 51.614 52.037 0.085 0.000 0.850 738 A CB 0.650 19.750 19.000 0.166 0.000 1.207 738 A HN 0.805 nan 8.150 nan 0.000 0.495 739 E N -0.136 120.135 120.200 0.118 0.000 2.340 739 E HA 0.250 4.601 4.350 0.001 0.000 0.198 739 E C 0.765 177.439 176.600 0.123 0.000 0.961 739 E CA 1.057 57.516 56.400 0.097 0.000 0.905 739 E CB 0.949 30.691 29.700 0.070 0.000 0.884 739 E HN 0.871 nan 8.360 nan 0.000 0.491 740 G N -0.033 108.871 108.800 0.174 0.000 2.550 740 G HA2 0.453 4.413 3.960 0.001 0.000 0.293 740 G HA3 0.453 4.413 3.960 0.001 0.000 0.293 740 G C -1.841 173.216 174.900 0.262 0.000 1.402 740 G CA -0.408 44.803 45.100 0.185 0.000 0.784 740 G HN 0.058 nan 8.290 nan 0.000 0.482 741 Y N -1.432 118.849 120.300 -0.032 0.000 2.713 741 Y HA 0.823 5.373 4.550 0.001 0.000 0.335 741 Y C -0.627 175.144 175.900 -0.215 0.000 1.222 741 Y CA -0.994 56.981 58.100 -0.207 0.000 1.061 741 Y CB 1.222 39.469 38.460 -0.356 0.000 1.314 741 Y HN 1.387 nan 8.280 nan 0.000 0.453 742 S N 1.234 116.704 115.700 -0.384 0.000 2.541 742 S HA 1.018 5.489 4.470 0.001 0.000 0.271 742 S C -1.180 173.312 174.600 -0.179 0.000 1.133 742 S CA -0.184 57.805 58.200 -0.353 0.000 0.876 742 S CB 1.694 64.759 63.200 -0.226 0.000 1.105 742 S HN 1.987 nan 8.310 nan 0.000 0.470 743 A N 1.339 124.106 122.820 -0.088 0.000 2.612 743 A HA 0.708 5.028 4.320 0.001 0.000 0.293 743 A C -1.583 176.006 177.584 0.008 0.000 1.075 743 A CA -0.851 51.145 52.037 -0.067 0.000 0.680 743 A CB 0.822 19.785 19.000 -0.063 0.000 1.279 743 A HN 0.740 nan 8.150 nan 0.000 0.411 744 D N 2.273 122.701 120.400 0.047 0.000 2.423 744 D HA 0.354 4.995 4.640 0.001 0.000 0.238 744 D C -2.092 174.293 176.300 0.142 0.000 1.142 744 D CA -0.275 53.788 54.000 0.105 0.000 0.884 744 D CB 0.496 41.391 40.800 0.158 0.000 1.199 744 D HN 0.307 nan 8.370 nan 0.000 0.438 745 P HA 0.167 nan 4.420 nan 0.000 0.271 745 P C 0.642 178.077 177.300 0.224 0.000 1.216 745 P CA -0.059 63.121 63.100 0.133 0.000 0.771 745 P CB 1.155 32.913 31.700 0.097 0.000 0.864 746 G N 2.482 111.371 108.800 0.148 0.000 2.380 746 G HA2 -0.138 3.822 3.960 0.001 0.000 0.197 746 G HA3 -0.138 3.822 3.960 0.001 0.000 0.197 746 G C -0.092 174.776 174.900 -0.054 0.000 1.001 746 G CA -0.465 44.678 45.100 0.073 0.000 0.668 746 G HN 0.474 nan 8.290 nan 0.000 0.483 747 I N 2.438 123.036 120.570 0.045 0.000 2.336 747 I HA 0.489 4.659 4.170 0.001 0.000 0.292 747 I C -0.376 175.767 176.117 0.043 0.000 0.991 747 I CA -0.409 60.911 61.300 0.032 0.000 1.227 747 I CB 1.965 39.961 38.000 -0.008 0.000 1.366 747 I HN -0.015 nan 8.210 nan 0.000 0.466 748 T N 5.743 120.334 114.554 0.062 0.000 2.833 748 T HA 0.332 4.682 4.350 0.001 0.000 0.297 748 T C -0.179 174.552 174.700 0.052 0.000 1.015 748 T CA -0.408 61.722 62.100 0.051 0.000 0.963 748 T CB 1.400 70.292 68.868 0.040 0.000 0.955 748 T HN 0.132 nan 8.240 nan 0.000 0.449 749 V N 4.348 124.223 119.914 -0.065 0.000 2.461 749 V HA 0.271 4.391 4.120 0.001 0.000 0.275 749 V C 1.580 177.640 176.094 -0.057 0.000 1.047 749 V CA -0.055 62.162 62.300 -0.139 0.000 0.955 749 V CB 1.115 32.508 31.823 -0.716 0.000 0.988 749 V HN 1.117 nan 8.190 nan 0.000 0.471 750 T N 0.944 115.497 114.554 -0.003 0.000 2.985 750 T HA 0.256 4.606 4.350 0.001 0.000 0.254 750 T C 0.300 174.999 174.700 -0.003 0.000 1.021 750 T CA -0.008 62.092 62.100 0.001 0.000 0.957 750 T CB 0.351 69.218 68.868 -0.001 0.000 1.047 750 T HN 0.569 nan 8.240 nan 0.000 0.511 751 Q N -0.300 119.494 119.800 -0.011 0.000 2.479 751 Q HA 0.507 4.848 4.340 0.001 0.000 0.276 751 Q C -1.101 174.888 176.000 -0.019 0.000 0.989 751 Q CA -0.572 55.224 55.803 -0.010 0.000 0.864 751 Q CB 1.872 30.596 28.738 -0.023 0.000 1.444 751 Q HN 0.236 nan 8.270 nan 0.000 0.388 752 L N 0.467 121.691 121.223 0.002 0.000 2.840 752 L HA 0.661 5.001 4.340 0.001 0.000 0.249 752 L C 0.078 176.943 176.870 -0.009 0.000 1.119 752 L CA 0.205 55.050 54.840 0.008 0.000 0.930 752 L CB 1.397 43.513 42.059 0.094 0.000 1.295 752 L HN 0.570 nan 8.230 nan 0.000 0.534 753 A N 0.045 122.862 122.820 -0.005 0.000 2.520 753 A HA 0.634 4.954 4.320 0.001 0.000 0.298 753 A C -2.227 175.349 177.584 -0.012 0.000 1.051 753 A CA -0.735 51.298 52.037 -0.007 0.000 0.690 753 A CB 0.968 19.973 19.000 0.009 0.000 1.281 753 A HN -0.122 nan 8.150 nan 0.000 0.402 754 P HA 0.041 nan 4.420 nan 0.000 0.241 754 P C 0.472 177.751 177.300 -0.034 0.000 1.191 754 P CA 1.181 64.269 63.100 -0.019 0.000 0.771 754 P CB 0.086 31.777 31.700 -0.016 0.000 0.929 755 T N -2.750 111.775 114.554 -0.047 0.000 2.901 755 T HA 0.601 4.952 4.350 0.001 0.000 0.293 755 T C -0.201 174.438 174.700 -0.101 0.000 1.084 755 T CA -0.918 61.139 62.100 -0.073 0.000 1.008 755 T CB 1.506 70.331 68.868 -0.070 0.000 1.170 755 T HN -0.181 nan 8.240 nan 0.000 0.509 756 I N 1.583 122.057 120.570 -0.160 0.000 2.395 756 I HA 0.411 4.581 4.170 0.001 0.000 0.289 756 I C 0.280 176.312 176.117 -0.142 0.000 1.023 756 I CA -0.459 60.705 61.300 -0.226 0.000 1.350 756 I CB 0.941 38.626 38.000 -0.524 0.000 1.409 756 I HN 0.475 nan 8.210 nan 0.000 0.507 757 K N 7.377 127.742 120.400 -0.059 0.000 2.482 757 K HA 0.649 4.969 4.320 0.001 0.000 0.251 757 K C -1.295 175.355 176.600 0.084 0.000 0.936 757 K CA -0.597 55.648 56.287 -0.071 0.000 0.791 757 K CB 2.441 34.892 32.500 -0.083 0.000 1.213 757 K HN 0.494 nan 8.250 nan 0.000 0.428 758 F N -1.682 118.210 119.950 -0.097 0.000 2.741 758 F HA 0.564 5.091 4.527 0.001 0.000 0.313 758 F C -0.991 174.762 175.800 -0.078 0.000 1.153 758 F CA -1.020 56.935 58.000 -0.075 0.000 0.931 758 F CB 1.305 40.286 39.000 -0.031 0.000 1.335 758 F HN 0.359 nan 8.300 nan 0.000 0.460 759 T N -0.433 114.199 114.554 0.129 0.000 2.893 759 T HA 0.774 5.124 4.350 0.001 0.000 0.291 759 T C -1.372 173.368 174.700 0.066 0.000 1.028 759 T CA -0.845 61.250 62.100 -0.008 0.000 0.995 759 T CB 1.595 70.434 68.868 -0.049 0.000 1.051 759 T HN 0.753 nan 8.240 nan 0.000 0.470 760 V N 3.169 123.054 119.914 -0.048 0.000 2.370 760 V HA 0.437 4.557 4.120 0.001 0.000 0.283 760 V C 0.213 176.112 176.094 -0.326 0.000 1.023 760 V CA -1.049 61.127 62.300 -0.206 0.000 0.857 760 V CB 1.280 32.963 31.823 -0.233 0.000 0.985 760 V HN 0.967 nan 8.190 nan 0.000 0.443 761 N N 3.796 122.266 118.700 -0.382 0.000 2.415 761 N HA 0.105 4.846 4.740 0.001 0.000 0.250 761 N C 0.553 175.834 175.510 -0.382 0.000 1.127 761 N CA -0.040 52.848 53.050 -0.271 0.000 0.945 761 N CB 1.747 40.146 38.487 -0.146 0.000 1.196 761 N HN 0.659 nan 8.380 nan 0.000 0.499 762 V N 1.259 121.021 119.914 -0.253 0.000 3.542 762 V HA 0.208 4.329 4.120 0.001 0.000 0.296 762 V C 0.740 176.834 176.094 -0.001 0.000 1.364 762 V CA -0.654 61.569 62.300 -0.129 0.000 1.118 762 V CB -0.963 30.803 31.823 -0.094 0.000 0.972 762 V HN 0.456 nan 8.190 nan 0.000 0.430 763 N N 2.815 121.506 118.700 -0.014 0.000 2.386 763 N HA 0.281 5.022 4.740 0.001 0.000 0.273 763 N C 1.344 176.883 175.510 0.049 0.000 1.331 763 N CA 1.530 54.588 53.050 0.013 0.000 0.891 763 N CB -0.027 38.463 38.487 0.005 0.000 1.139 763 N HN 0.795 nan 8.380 nan 0.000 0.487 764 G N 2.252 111.081 108.800 0.048 0.000 2.179 764 G HA2 -0.292 3.668 3.960 0.001 0.000 0.257 764 G HA3 -0.292 3.668 3.960 0.001 0.000 0.257 764 G C 0.939 175.892 174.900 0.088 0.000 1.010 764 G CA 0.595 45.731 45.100 0.060 0.000 0.736 764 G HN 0.962 nan 8.290 nan 0.000 0.513 765 A N -0.380 122.514 122.820 0.124 0.000 2.067 765 A HA 0.321 4.642 4.320 0.001 0.000 0.219 765 A C 1.875 179.513 177.584 0.091 0.000 1.158 765 A CA 1.969 54.114 52.037 0.179 0.000 0.661 765 A CB -0.210 19.005 19.000 0.357 0.000 0.801 765 A HN 1.119 nan 8.150 nan 0.000 0.452 766 K N -2.441 117.997 120.400 0.064 0.000 3.071 766 K HA -0.215 4.105 4.320 0.001 0.000 0.265 766 K C 0.847 177.456 176.600 0.015 0.000 1.060 766 K CA 1.088 57.398 56.287 0.038 0.000 0.767 766 K CB -2.504 30.027 32.500 0.052 0.000 1.241 766 K HN 1.685 nan 8.250 nan 0.000 0.486 767 G N -0.229 108.580 108.800 0.015 0.000 2.162 767 G HA2 -0.428 3.532 3.960 0.001 0.000 0.260 767 G HA3 -0.428 3.532 3.960 0.001 0.000 0.260 767 G C 0.192 175.092 174.900 -0.000 0.000 0.976 767 G CA 1.238 46.333 45.100 -0.008 0.000 0.655 767 G HN 0.682 nan 8.290 nan 0.000 0.533 768 K N 0.198 120.595 120.400 -0.006 0.000 2.180 768 K HA 0.635 4.955 4.320 0.001 0.000 0.251 768 K C 0.157 176.716 176.600 -0.069 0.000 1.014 768 K CA 0.078 56.313 56.287 -0.085 0.000 0.913 768 K CB 0.848 33.229 32.500 -0.198 0.000 1.008 768 K HN 0.064 nan 8.250 nan 0.000 0.490 769 S N 0.907 116.542 115.700 -0.108 0.000 2.578 769 S HA 0.467 4.938 4.470 0.001 0.000 0.283 769 S C -1.003 173.499 174.600 -0.163 0.000 1.195 769 S CA -0.728 57.476 58.200 0.007 0.000 1.050 769 S CB 0.217 63.459 63.200 0.070 0.000 1.012 769 S HN 0.413 nan 8.310 nan 0.000 0.511 770 F N 1.531 121.543 119.950 0.103 0.000 2.469 770 F HA 0.410 4.937 4.527 0.001 0.000 0.332 770 F C 0.318 176.209 175.800 0.153 0.000 1.103 770 F CA -0.684 57.380 58.000 0.106 0.000 0.979 770 F CB 1.242 40.296 39.000 0.090 0.000 1.137 770 F HN 0.572 nan 8.300 nan 0.000 0.463 771 H N 1.572 120.722 119.070 0.133 0.000 2.495 771 H HA 0.830 5.386 4.556 0.001 0.000 0.348 771 H C -1.397 173.923 175.328 -0.012 0.000 1.113 771 H CA -0.630 55.459 56.048 0.068 0.000 1.195 771 H CB 1.463 31.245 29.762 0.032 0.000 1.521 771 H HN 0.790 nan 8.280 nan 0.000 0.509 772 A N 3.071 125.485 122.820 -0.677 0.000 2.454 772 A HA 0.643 4.963 4.320 0.001 0.000 0.302 772 A C -1.114 175.949 177.584 -0.869 0.000 1.079 772 A CA -0.516 51.094 52.037 -0.712 0.000 0.731 772 A CB 1.648 20.190 19.000 -0.763 0.000 1.299 772 A HN 0.609 nan 8.150 nan 0.000 0.413 773 S N 0.527 115.775 115.700 -0.754 0.000 2.733 773 S HA 0.718 5.188 4.470 0.001 0.000 0.294 773 S C -1.611 172.685 174.600 -0.506 0.000 1.149 773 S CA -0.376 57.553 58.200 -0.451 0.000 1.034 773 S CB -0.003 63.083 63.200 -0.190 0.000 1.015 773 S HN 0.452 nan 8.310 nan 0.000 0.486 774 F N 3.062 123.009 119.950 -0.004 0.000 2.436 774 F HA 0.461 4.988 4.527 0.001 0.000 0.340 774 F C 0.713 176.538 175.800 0.042 0.000 1.113 774 F CA -0.769 57.257 58.000 0.043 0.000 1.022 774 F CB 1.457 40.475 39.000 0.030 0.000 1.128 774 F HN 0.442 nan 8.300 nan 0.000 0.466 775 Q N 3.763 123.678 119.800 0.192 0.000 2.304 775 Q HA 0.513 4.854 4.340 0.001 0.000 0.260 775 Q C -0.892 175.186 176.000 0.131 0.000 0.965 775 Q CA -0.233 55.643 55.803 0.122 0.000 0.898 775 Q CB 1.236 30.022 28.738 0.081 0.000 1.196 775 Q HN 0.578 nan 8.270 nan 0.000 0.402 776 L N 1.270 122.551 121.223 0.096 0.000 2.334 776 L HA 0.577 4.918 4.340 0.001 0.000 0.273 776 L C 0.788 177.689 176.870 0.053 0.000 1.013 776 L CA -0.990 53.895 54.840 0.075 0.000 0.816 776 L CB 1.461 43.560 42.059 0.066 0.000 1.278 776 L HN 0.757 nan 8.230 nan 0.000 0.431 777 G N 0.000 108.826 108.800 0.043 0.000 5.446 777 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 777 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 777 G CA 0.000 45.119 45.100 0.032 0.000 0.502 777 G HN 0.000 nan 8.290 nan 0.000 0.925