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 1z6q_1_A DATA FIRST_RESID 7 DATA SEQUENCE QEKRKQISVR GLAGVENVTE LKKNFNRHLH FTLVKDRNVA TPRDYYFALA DATA SEQUENCE HTVRDHLVGR WIRTQQHYYE KDPKRIYYLS LEFYMGRTLQ NTMVNLALEN DATA SEQUENCE ACDEATYQLG LDMEELEEIE EDAGLGNGGL GRLAACFLDS MATLGLAAYG DATA SEQUENCE YGIRYEFGIF NQKICGGWQM EEADDWLRYG NPWEKARPEF TLPVHFYGRV DATA SEQUENCE EHTSQGAKWV DTQVVLAMPY DTPVPGYRNN VVNTMRLWSA KAPNXXXXXX DATA SEQUENCE XXXXGYIQAV LDRNLAENIS RVLYPNDNFF EGKELRLKQE YFVVAATLQD DATA SEQUENCE IIRRFKSSKF XXXXXXRTNF DAFPDKVAIQ LNDTHPSLAI PELMRVLVDL DATA SEQUENCE ERLDWDKAWE VTVKTCAYTN HTVIPEALER WPVHLLETLL PRHLQIIYEI DATA SEQUENCE NQRFLNRVAA AFPGDVDRLR RMSLVEEGAV KRINMAHLCI AGSHAVNGVA DATA SEQUENCE RIHSEILKKT IFKDFYELEP HKFQNKTNGI TPRRWLVLCN PGLAEIIAER DATA SEQUENCE IGEEYISDLD QLRKLLSYVD DEAFIRDVAK VKQENKLKFA AYLEREYKVH DATA SEQUENCE INPNSLFDVQ VKRIHEYKRQ LLNCLHVITL YNRIKKEPNK FVVPRTVMIG DATA SEQUENCE GKAAPGYHMA KMIIKLITAI GDVVNHDPVV GDRLRVIFLE NYRVSLAEKV DATA SEQUENCE IPAADLSEQI STAGTEASGT GNMXFMLNGA LTIGTMDGAN VEMAEEAGEE DATA SEQUENCE NFFIFGMRVE DVDRLDQRGY NAQEYYDRIP ELRQIIEQLS SGFFSPKQPD DATA SEQUENCE LFKDIVNMLM HHDRFKVFAD YEEYVKCQER VSALYKNPRE WTRMVIRNIA DATA SEQUENCE TSGKFSSDRT IAQYAREIWG VEPSRQRLP 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 175.909 176.000 -0.152 0.000 1.003 7 Q CA 0.000 55.672 55.803 -0.217 0.000 1.022 7 Q CB 0.000 28.459 28.738 -0.466 0.000 1.108 8 E N 1.762 121.894 120.200 -0.114 0.000 2.051 8 E HA -0.163 4.181 4.350 -0.010 0.000 0.192 8 E C 1.669 178.237 176.600 -0.053 0.000 0.991 8 E CA 1.499 57.853 56.400 -0.077 0.000 0.799 8 E CB 0.087 29.755 29.700 -0.054 0.000 0.748 8 E HN 0.069 nan 8.360 nan 0.000 0.449 9 K N 1.536 121.910 120.400 -0.042 0.000 2.032 9 K HA -0.140 4.174 4.320 -0.010 0.000 0.209 9 K C 1.944 178.526 176.600 -0.031 0.000 1.048 9 K CA 1.435 57.706 56.287 -0.028 0.000 0.927 9 K CB -0.105 32.385 32.500 -0.017 0.000 0.712 9 K HN 0.037 nan 8.250 nan 0.000 0.441 10 R N 0.598 121.072 120.500 -0.044 0.000 2.081 10 R HA -0.100 4.234 4.340 -0.010 0.000 0.235 10 R C 2.334 178.610 176.300 -0.041 0.000 1.131 10 R CA 1.324 57.400 56.100 -0.040 0.000 0.960 10 R CB -0.452 29.819 30.300 -0.048 0.000 0.856 10 R HN 0.186 nan 8.270 nan 0.000 0.436 11 K N 1.367 121.732 120.400 -0.058 0.000 2.032 11 K HA -0.267 4.047 4.320 -0.010 0.000 0.218 11 K C 2.269 178.852 176.600 -0.029 0.000 1.054 11 K CA 2.058 58.314 56.287 -0.051 0.000 0.941 11 K CB -0.217 32.245 32.500 -0.063 0.000 0.720 11 K HN 0.292 nan 8.250 nan 0.000 0.449 12 Q N 0.376 120.161 119.800 -0.026 0.000 2.112 12 Q HA -0.096 4.238 4.340 -0.010 0.000 0.206 12 Q C 0.662 176.660 176.000 -0.004 0.000 0.987 12 Q CA 0.819 56.614 55.803 -0.014 0.000 0.858 12 Q CB -0.155 28.576 28.738 -0.013 0.000 0.905 12 Q HN 0.345 nan 8.270 nan 0.000 0.420 13 I N 2.291 122.859 120.570 -0.003 0.000 2.725 13 I HA -0.131 4.033 4.170 -0.010 0.000 0.296 13 I C 1.511 177.635 176.117 0.011 0.000 1.155 13 I CA -0.144 61.161 61.300 0.008 0.000 1.450 13 I CB 0.142 38.147 38.000 0.008 0.000 1.478 13 I HN 0.252 nan 8.210 nan 0.000 0.642 14 S N 4.748 120.458 115.700 0.017 0.000 2.402 14 S HA -0.181 4.283 4.470 -0.010 0.000 0.233 14 S C 1.845 176.462 174.600 0.027 0.000 1.030 14 S CA 1.283 59.494 58.200 0.020 0.000 1.003 14 S CB -0.649 62.567 63.200 0.025 0.000 0.813 14 S HN 0.659 nan 8.310 nan 0.000 0.477 15 V N -0.472 119.466 119.914 0.041 0.000 3.026 15 V HA 0.092 4.206 4.120 -0.010 0.000 0.265 15 V C 2.109 178.231 176.094 0.047 0.000 1.121 15 V CA 1.436 63.767 62.300 0.052 0.000 1.142 15 V CB -1.083 30.782 31.823 0.069 0.000 0.730 15 V HN 0.447 nan 8.190 nan 0.000 0.503 16 R N 1.022 121.537 120.500 0.025 0.000 2.317 16 R HA 0.441 4.775 4.340 -0.010 0.000 0.208 16 R C 1.158 177.455 176.300 -0.005 0.000 0.914 16 R CA 0.549 56.655 56.100 0.011 0.000 1.060 16 R CB 0.182 30.483 30.300 0.002 0.000 1.015 16 R HN 0.767 nan 8.270 nan 0.000 0.498 17 G N 1.097 109.893 108.800 -0.006 0.000 2.728 17 G HA2 -0.249 3.705 3.960 -0.010 0.000 0.294 17 G HA3 -0.249 3.705 3.960 -0.010 0.000 0.294 17 G C -0.584 174.305 174.900 -0.018 0.000 1.342 17 G CA -0.966 44.121 45.100 -0.020 0.000 0.866 17 G HN 0.096 nan 8.290 nan 0.000 0.534 18 L N 0.088 121.298 121.223 -0.022 0.000 2.350 18 L HA 0.623 4.957 4.340 -0.010 0.000 0.275 18 L C 1.128 177.987 176.870 -0.018 0.000 1.099 18 L CA -0.194 54.636 54.840 -0.017 0.000 0.808 18 L CB 1.651 43.700 42.059 -0.016 0.000 1.149 18 L HN 1.126 nan 8.230 nan 0.000 0.442 19 A N 2.612 125.425 122.820 -0.013 0.000 3.175 19 A HA 0.482 4.796 4.320 -0.010 0.000 0.289 19 A C 0.735 178.319 177.584 -0.001 0.000 1.429 19 A CA -0.394 51.638 52.037 -0.008 0.000 1.155 19 A CB -0.631 18.366 19.000 -0.006 0.000 1.169 19 A HN 0.820 nan 8.150 nan 0.000 0.574 20 G N 0.210 109.009 108.800 -0.002 0.000 2.265 20 G HA2 0.296 4.250 3.960 -0.010 0.000 0.240 20 G HA3 0.296 4.250 3.960 -0.010 0.000 0.240 20 G C 1.258 176.165 174.900 0.011 0.000 1.270 20 G CA 0.192 45.294 45.100 0.004 0.000 0.901 20 G HN 1.359 nan 8.290 nan 0.000 0.507 21 V N 1.293 121.214 119.914 0.012 0.000 2.231 21 V HA -0.279 3.836 4.120 -0.010 0.000 0.250 21 V C 2.103 178.209 176.094 0.020 0.000 1.058 21 V CA 2.639 64.948 62.300 0.015 0.000 1.022 21 V CB -0.950 30.880 31.823 0.013 0.000 0.640 21 V HN 0.785 nan 8.190 nan 0.000 0.445 22 E N 0.550 120.763 120.200 0.020 0.000 2.077 22 E HA -0.221 4.123 4.350 -0.010 0.000 0.193 22 E C 2.260 178.882 176.600 0.037 0.000 0.989 22 E CA 1.441 57.857 56.400 0.027 0.000 0.800 22 E CB -0.332 29.383 29.700 0.024 0.000 0.746 22 E HN 0.717 nan 8.360 nan 0.000 0.452 23 N N 0.532 119.252 118.700 0.035 0.000 2.104 23 N HA -0.145 4.589 4.740 -0.010 0.000 0.190 23 N C 1.719 177.257 175.510 0.046 0.000 1.024 23 N CA 0.961 54.038 53.050 0.045 0.000 0.853 23 N CB -0.152 38.350 38.487 0.026 0.000 1.008 23 N HN -0.041 nan 8.380 nan 0.000 0.424 24 V N 0.095 120.028 119.914 0.031 0.000 2.407 24 V HA -0.192 3.922 4.120 -0.010 0.000 0.248 24 V C 2.149 178.264 176.094 0.036 0.000 1.055 24 V CA 1.970 64.287 62.300 0.029 0.000 1.049 24 V CB -0.951 30.885 31.823 0.022 0.000 0.662 24 V HN 0.404 nan 8.190 nan 0.000 0.455 25 T N -0.505 114.070 114.554 0.035 0.000 2.720 25 T HA -0.241 4.103 4.350 -0.010 0.000 0.268 25 T C 1.911 176.644 174.700 0.056 0.000 1.037 25 T CA 1.932 64.055 62.100 0.037 0.000 1.144 25 T CB -0.165 68.721 68.868 0.030 0.000 0.864 25 T HN 0.481 nan 8.240 nan 0.000 0.444 26 E N 1.009 121.250 120.200 0.069 0.000 2.028 26 E HA -0.019 4.325 4.350 -0.010 0.000 0.191 26 E C 2.103 178.782 176.600 0.131 0.000 0.988 26 E CA 0.922 57.378 56.400 0.094 0.000 0.799 26 E CB -0.638 29.122 29.700 0.099 0.000 0.755 26 E HN 0.423 nan 8.360 nan 0.000 0.447 27 L N 0.570 121.879 121.223 0.143 0.000 1.976 27 L HA -0.336 3.998 4.340 -0.010 0.000 0.223 27 L C 2.574 179.542 176.870 0.164 0.000 1.081 27 L CA 2.192 57.132 54.840 0.167 0.000 0.784 27 L CB -0.609 41.513 42.059 0.104 0.000 0.896 27 L HN 0.133 nan 8.230 nan 0.000 0.438 28 K N -0.392 120.064 120.400 0.092 0.000 2.152 28 K HA -0.229 4.085 4.320 -0.010 0.000 0.206 28 K C 2.220 178.913 176.600 0.154 0.000 1.048 28 K CA 1.183 57.506 56.287 0.060 0.000 0.933 28 K CB -0.148 32.355 32.500 0.005 0.000 0.721 28 K HN 0.209 nan 8.250 nan 0.000 0.447 29 K N 1.255 121.741 120.400 0.143 0.000 2.062 29 K HA -0.092 4.222 4.320 -0.010 0.000 0.205 29 K C 1.353 178.065 176.600 0.186 0.000 1.051 29 K CA 1.208 57.578 56.287 0.139 0.000 0.941 29 K CB -0.009 32.548 32.500 0.096 0.000 0.719 29 K HN 0.159 nan 8.250 nan 0.000 0.440 30 N N 0.269 119.102 118.700 0.223 0.000 2.270 30 N HA -0.124 4.610 4.740 -0.010 0.000 0.181 30 N C 1.784 177.534 175.510 0.401 0.000 1.016 30 N CA 0.738 53.955 53.050 0.278 0.000 0.870 30 N CB -0.247 38.398 38.487 0.263 0.000 0.979 30 N HN 0.128 nan 8.380 nan 0.000 0.431 31 F N 3.265 123.341 119.950 0.210 0.000 2.051 31 F HA -0.078 4.443 4.527 -0.010 0.000 0.296 31 F C 2.074 177.995 175.800 0.201 0.000 1.122 31 F CA 1.280 59.407 58.000 0.212 0.000 1.201 31 F CB -0.624 38.467 39.000 0.151 0.000 0.978 31 F HN -0.090 nan 8.300 nan 0.000 0.472 32 N N 0.766 119.809 118.700 0.571 0.000 2.069 32 N HA -0.290 4.444 4.740 -0.010 0.000 0.196 32 N C 2.150 177.790 175.510 0.216 0.000 1.024 32 N CA 1.874 55.134 53.050 0.350 0.000 0.869 32 N CB -0.710 37.917 38.487 0.234 0.000 1.035 32 N HN 0.392 nan 8.380 nan 0.000 0.434 33 R N 0.133 120.760 120.500 0.211 0.000 2.070 33 R HA -0.122 4.212 4.340 -0.010 0.000 0.233 33 R C 2.030 178.418 176.300 0.146 0.000 1.137 33 R CA 1.529 57.763 56.100 0.224 0.000 0.945 33 R CB -0.321 30.063 30.300 0.139 0.000 0.845 33 R HN 0.376 nan 8.270 nan 0.000 0.430 34 H N 0.041 119.197 119.070 0.144 0.000 2.319 34 H HA -0.195 4.355 4.556 -0.010 0.000 0.297 34 H C 1.879 177.183 175.328 -0.040 0.000 1.097 34 H CA 2.054 58.121 56.048 0.032 0.000 1.285 34 H CB -0.131 29.619 29.762 -0.019 0.000 1.368 34 H HN 0.144 nan 8.280 nan 0.000 0.495 35 L N -0.238 120.983 121.223 -0.003 0.000 2.083 35 L HA -0.176 4.158 4.340 -0.010 0.000 0.209 35 L C 2.227 179.062 176.870 -0.057 0.000 1.083 35 L CA 1.850 56.648 54.840 -0.071 0.000 0.752 35 L CB -0.536 41.490 42.059 -0.055 0.000 0.899 35 L HN 0.317 nan 8.230 nan 0.000 0.433 36 H N -1.428 117.555 119.070 -0.145 0.000 2.256 36 H HA -0.167 4.383 4.556 -0.010 0.000 0.301 36 H C 1.856 176.902 175.328 -0.471 0.000 1.062 36 H CA 2.664 58.496 56.048 -0.360 0.000 1.283 36 H CB -0.315 29.107 29.762 -0.566 0.000 1.379 36 H HN 0.313 nan 8.280 nan 0.000 0.493 37 F N -0.552 119.389 119.950 -0.016 0.000 2.206 37 F HA -0.052 4.469 4.527 -0.010 0.000 0.298 37 F C 2.661 178.360 175.800 -0.168 0.000 1.090 37 F CA 1.482 59.419 58.000 -0.105 0.000 1.323 37 F CB -0.440 38.504 39.000 -0.093 0.000 1.028 37 F HN 0.194 nan 8.300 nan 0.000 0.492 38 T N -0.462 114.088 114.554 -0.006 0.000 3.010 38 T HA 0.137 4.481 4.350 -0.010 0.000 0.252 38 T C 1.851 176.458 174.700 -0.156 0.000 1.047 38 T CA 0.709 62.739 62.100 -0.115 0.000 1.140 38 T CB -0.057 68.719 68.868 -0.153 0.000 0.885 38 T HN 0.120 nan 8.240 nan 0.000 0.464 39 L N 1.011 122.147 121.223 -0.145 0.000 2.638 39 L HA 0.252 4.586 4.340 -0.010 0.000 0.232 39 L C 0.338 177.099 176.870 -0.182 0.000 1.099 39 L CA -0.032 54.705 54.840 -0.173 0.000 0.883 39 L CB 0.361 42.324 42.059 -0.160 0.000 1.136 39 L HN -0.013 nan 8.230 nan 0.000 0.492 40 V N 0.110 119.894 119.914 -0.217 0.000 6.086 40 V HA -0.260 3.854 4.120 -0.010 0.000 0.331 40 V C -0.057 175.891 176.094 -0.243 0.000 0.467 40 V CA 1.111 63.248 62.300 -0.271 0.000 0.678 40 V CB -2.274 29.427 31.823 -0.205 0.000 0.318 40 V HN 0.433 nan 8.190 nan 0.000 1.180 41 K N 0.601 120.864 120.400 -0.228 0.000 2.466 41 K HA 0.769 5.083 4.320 -0.010 0.000 0.260 41 K C -0.528 176.030 176.600 -0.069 0.000 1.011 41 K CA -0.308 55.896 56.287 -0.140 0.000 0.871 41 K CB 2.820 35.244 32.500 -0.125 0.000 1.404 41 K HN 0.462 nan 8.250 nan 0.000 0.450 42 D N -1.166 119.222 120.400 -0.021 0.000 2.493 42 D HA 0.309 4.943 4.640 -0.010 0.000 0.239 42 D C 0.455 176.808 176.300 0.089 0.000 1.049 42 D CA -0.677 53.350 54.000 0.045 0.000 1.008 42 D CB 1.127 41.946 40.800 0.032 0.000 1.398 42 D HN 0.117 nan 8.370 nan 0.000 0.513 43 R N 0.434 121.014 120.500 0.133 0.000 2.316 43 R HA 0.019 4.353 4.340 -0.010 0.000 0.202 43 R C 0.885 177.276 176.300 0.152 0.000 1.029 43 R CA 0.403 56.627 56.100 0.206 0.000 1.018 43 R CB -0.866 29.544 30.300 0.183 0.000 0.888 43 R HN 0.569 nan 8.270 nan 0.000 0.471 44 N N -0.005 118.747 118.700 0.086 0.000 2.250 44 N HA -0.115 4.619 4.740 -0.010 0.000 0.181 44 N C 1.485 177.019 175.510 0.040 0.000 1.017 44 N CA 1.071 54.156 53.050 0.058 0.000 0.866 44 N CB 0.399 38.908 38.487 0.036 0.000 0.985 44 N HN 0.088 nan 8.380 nan 0.000 0.429 45 V N -3.100 116.824 119.914 0.017 0.000 3.578 45 V HA 0.557 4.671 4.120 -0.010 0.000 0.290 45 V C 0.604 176.659 176.094 -0.065 0.000 1.376 45 V CA -0.317 61.972 62.300 -0.019 0.000 1.083 45 V CB -0.492 31.311 31.823 -0.034 0.000 0.911 45 V HN 0.149 nan 8.190 nan 0.000 0.433 46 A N 1.978 124.747 122.820 -0.086 0.000 2.407 46 A HA 0.609 4.923 4.320 -0.010 0.000 0.248 46 A C 0.746 178.125 177.584 -0.343 0.000 1.082 46 A CA 0.652 52.509 52.037 -0.300 0.000 0.785 46 A CB 0.086 18.802 19.000 -0.474 0.000 1.020 46 A HN 0.771 nan 8.150 nan 0.000 0.489 47 T N -0.696 113.638 114.554 -0.367 0.000 2.923 47 T HA 0.570 4.914 4.350 -0.010 0.000 0.281 47 T C -2.194 172.339 174.700 -0.279 0.000 0.995 47 T CA -1.645 60.331 62.100 -0.207 0.000 0.985 47 T CB 1.032 69.838 68.868 -0.104 0.000 1.114 47 T HN 0.260 nan 8.240 nan 0.000 0.548 48 P HA -0.019 nan 4.420 nan 0.000 0.218 48 P C 1.598 179.000 177.300 0.171 0.000 1.149 48 P CA 0.765 63.985 63.100 0.200 0.000 0.817 48 P CB 0.037 31.853 31.700 0.193 0.000 0.785 49 R N 0.182 120.731 120.500 0.082 0.000 2.096 49 R HA -0.142 4.192 4.340 -0.010 0.000 0.235 49 R C 1.561 178.040 176.300 0.298 0.000 1.127 49 R CA 1.665 57.867 56.100 0.171 0.000 0.968 49 R CB -0.645 29.684 30.300 0.049 0.000 0.861 49 R HN 0.092 nan 8.270 nan 0.000 0.440 50 D N -0.200 120.227 120.400 0.045 0.000 2.123 50 D HA -0.196 4.439 4.640 -0.010 0.000 0.196 50 D C 1.775 178.062 176.300 -0.022 0.000 0.992 50 D CA 1.339 55.303 54.000 -0.059 0.000 0.833 50 D CB -0.397 40.208 40.800 -0.326 0.000 0.954 50 D HN 0.264 nan 8.370 nan 0.000 0.455 51 Y N 0.525 120.902 120.300 0.129 0.000 2.053 51 Y HA -0.279 4.265 4.550 -0.010 0.000 0.277 51 Y C 2.392 178.389 175.900 0.161 0.000 1.159 51 Y CA 0.708 58.922 58.100 0.191 0.000 1.125 51 Y CB -1.548 37.105 38.460 0.320 0.000 0.969 51 Y HN 0.070 nan 8.280 nan 0.000 0.492 52 Y N -0.240 120.225 120.300 0.275 0.000 2.002 52 Y HA -0.373 4.171 4.550 -0.010 0.000 0.268 52 Y C 2.243 178.175 175.900 0.054 0.000 1.177 52 Y CA 1.689 59.857 58.100 0.113 0.000 1.111 52 Y CB -1.281 37.157 38.460 -0.037 0.000 0.952 52 Y HN 0.049 nan 8.280 nan 0.000 0.491 53 F N -0.003 119.616 119.950 -0.551 0.000 2.171 53 F HA -0.160 4.361 4.527 -0.010 0.000 0.300 53 F C 2.624 178.234 175.800 -0.316 0.000 1.090 53 F CA 1.401 59.075 58.000 -0.544 0.000 1.293 53 F CB -1.235 37.665 39.000 -0.166 0.000 1.013 53 F HN 0.233 nan 8.300 nan 0.000 0.486 54 A N -0.031 122.734 122.820 -0.092 0.000 1.851 54 A HA -0.203 4.111 4.320 -0.010 0.000 0.216 54 A C 2.148 179.606 177.584 -0.210 0.000 1.195 54 A CA 1.747 53.598 52.037 -0.310 0.000 0.622 54 A CB -1.274 17.176 19.000 -0.917 0.000 0.831 54 A HN 0.320 nan 8.150 nan 0.000 0.444 55 L N -0.105 121.120 121.223 0.003 0.000 1.990 55 L HA -0.193 4.141 4.340 -0.010 0.000 0.213 55 L C 2.727 179.572 176.870 -0.040 0.000 1.072 55 L CA 2.557 57.511 54.840 0.189 0.000 0.755 55 L CB -0.954 41.282 42.059 0.294 0.000 0.889 55 L HN 0.395 nan 8.230 nan 0.000 0.432 56 A N -1.523 121.102 122.820 -0.325 0.000 1.883 56 A HA -0.292 4.022 4.320 -0.010 0.000 0.217 56 A C 2.139 179.327 177.584 -0.660 0.000 1.186 56 A CA 2.043 53.769 52.037 -0.518 0.000 0.624 56 A CB -1.137 17.285 19.000 -0.964 0.000 0.822 56 A HN 0.708 nan 8.150 nan 0.000 0.444 57 H N -0.561 118.220 119.070 -0.482 0.000 2.319 57 H HA -0.090 4.460 4.556 -0.010 0.000 0.299 57 H C 2.432 177.449 175.328 -0.517 0.000 1.092 57 H CA 2.180 57.870 56.048 -0.597 0.000 1.302 57 H CB -0.289 28.885 29.762 -0.980 0.000 1.373 57 H HN 0.486 nan 8.280 nan 0.000 0.497 58 T N 0.037 114.417 114.554 -0.290 0.000 2.684 58 T HA -0.187 4.157 4.350 -0.010 0.000 0.267 58 T C 2.277 177.099 174.700 0.203 0.000 1.036 58 T CA 1.441 63.567 62.100 0.043 0.000 1.148 58 T CB -0.570 68.414 68.868 0.192 0.000 0.863 58 T HN 0.079 nan 8.240 nan 0.000 0.436 59 V N 1.826 121.835 119.914 0.157 0.000 2.233 59 V HA -0.211 3.904 4.120 -0.010 0.000 0.247 59 V C 2.727 178.996 176.094 0.292 0.000 1.050 59 V CA 1.906 64.362 62.300 0.260 0.000 1.010 59 V CB -0.666 31.325 31.823 0.280 0.000 0.637 59 V HN 0.399 nan 8.190 nan 0.000 0.444 60 R N 0.092 120.693 120.500 0.168 0.000 2.117 60 R HA -0.238 4.096 4.340 -0.010 0.000 0.243 60 R C 1.934 178.323 176.300 0.150 0.000 1.143 60 R CA 2.217 58.423 56.100 0.176 0.000 0.968 60 R CB -0.645 29.599 30.300 -0.092 0.000 0.863 60 R HN 0.514 nan 8.270 nan 0.000 0.444 61 D N -0.138 120.314 120.400 0.088 0.000 2.221 61 D HA -0.160 4.474 4.640 -0.010 0.000 0.204 61 D C 1.738 178.012 176.300 -0.044 0.000 0.982 61 D CA 1.027 55.042 54.000 0.025 0.000 0.857 61 D CB -0.369 40.417 40.800 -0.022 0.000 0.934 61 D HN 0.497 nan 8.370 nan 0.000 0.475 62 H N -0.203 118.919 119.070 0.088 0.000 2.457 62 H HA 0.011 4.561 4.556 -0.010 0.000 0.294 62 H C 2.278 177.651 175.328 0.075 0.000 1.064 62 H CA 0.424 56.515 56.048 0.072 0.000 1.330 62 H CB 0.245 30.041 29.762 0.057 0.000 1.395 62 H HN 0.211 nan 8.280 nan 0.000 0.541 63 L N -0.001 121.343 121.223 0.202 0.000 2.109 63 L HA -0.119 4.215 4.340 -0.010 0.000 0.207 63 L C 2.624 179.617 176.870 0.205 0.000 1.086 63 L CA 0.317 55.254 54.840 0.161 0.000 0.760 63 L CB -0.223 41.921 42.059 0.142 0.000 0.910 63 L HN 0.034 nan 8.230 nan 0.000 0.437 64 V N 0.384 120.423 119.914 0.209 0.000 2.282 64 V HA -0.292 3.822 4.120 -0.010 0.000 0.249 64 V C 2.596 178.797 176.094 0.179 0.000 1.057 64 V CA 2.224 64.669 62.300 0.242 0.000 1.032 64 V CB -1.295 30.615 31.823 0.145 0.000 0.645 64 V HN 0.596 nan 8.190 nan 0.000 0.447 65 G N -0.670 108.195 108.800 0.108 0.000 2.402 65 G HA2 -0.227 3.728 3.960 -0.010 0.000 0.216 65 G HA3 -0.227 3.728 3.960 -0.010 0.000 0.216 65 G C 1.732 176.676 174.900 0.072 0.000 1.162 65 G CA 0.737 45.875 45.100 0.064 0.000 0.777 65 G HN 0.441 nan 8.290 nan 0.000 0.539 66 R N -1.268 119.290 120.500 0.097 0.000 2.073 66 R HA -0.101 4.233 4.340 -0.010 0.000 0.234 66 R C 2.256 178.651 176.300 0.158 0.000 1.134 66 R CA 1.350 57.505 56.100 0.091 0.000 0.952 66 R CB -0.440 29.905 30.300 0.075 0.000 0.850 66 R HN 0.464 nan 8.270 nan 0.000 0.433 67 W N 1.673 122.960 121.300 -0.022 0.000 2.317 67 W HA -0.154 4.500 4.660 -0.010 0.000 0.318 67 W C 1.793 178.288 176.519 -0.040 0.000 1.227 67 W CA 1.139 58.468 57.345 -0.027 0.000 1.269 67 W CB -0.786 28.677 29.460 0.006 0.000 1.155 67 W HN -0.009 nan 8.180 nan 0.000 0.484 68 I N 0.081 120.661 120.570 0.017 0.000 2.151 68 I HA -0.391 3.773 4.170 -0.010 0.000 0.243 68 I C 2.742 178.820 176.117 -0.064 0.000 1.080 68 I CA 1.876 63.111 61.300 -0.108 0.000 1.339 68 I CB -0.653 37.302 38.000 -0.075 0.000 1.039 68 I HN -0.053 nan 8.210 nan 0.000 0.409 69 R N -0.223 120.266 120.500 -0.018 0.000 2.090 69 R HA -0.083 4.251 4.340 -0.010 0.000 0.228 69 R C 2.370 178.640 176.300 -0.049 0.000 1.110 69 R CA 1.696 57.784 56.100 -0.020 0.000 0.973 69 R CB -0.350 29.942 30.300 -0.014 0.000 0.869 69 R HN 0.350 nan 8.270 nan 0.000 0.440 70 T N 1.284 115.791 114.554 -0.079 0.000 2.652 70 T HA -0.161 4.184 4.350 -0.010 0.000 0.267 70 T C 1.757 176.141 174.700 -0.527 0.000 1.039 70 T CA 1.187 63.135 62.100 -0.254 0.000 1.153 70 T CB -0.115 68.651 68.868 -0.169 0.000 0.863 70 T HN 0.212 nan 8.240 nan 0.000 0.428 71 Q N 0.977 120.612 119.800 -0.274 0.000 2.119 71 Q HA -0.086 4.248 4.340 -0.010 0.000 0.201 71 Q C 2.297 178.288 176.000 -0.015 0.000 0.972 71 Q CA 1.133 56.848 55.803 -0.147 0.000 0.847 71 Q CB -0.582 28.124 28.738 -0.054 0.000 0.903 71 Q HN 0.651 nan 8.270 nan 0.000 0.433 72 Q N 0.144 119.938 119.800 -0.011 0.000 2.077 72 Q HA -0.268 4.066 4.340 -0.010 0.000 0.206 72 Q C 2.044 178.146 176.000 0.170 0.000 0.989 72 Q CA 1.831 57.692 55.803 0.096 0.000 0.853 72 Q CB -0.159 28.611 28.738 0.055 0.000 0.907 72 Q HN 0.454 nan 8.270 nan 0.000 0.418 73 H N -0.421 118.633 119.070 -0.026 0.000 2.289 73 H HA -0.224 4.326 4.556 -0.010 0.000 0.294 73 H C 1.567 176.974 175.328 0.131 0.000 1.095 73 H CA 2.505 58.548 56.048 -0.009 0.000 1.256 73 H CB -0.536 29.162 29.762 -0.107 0.000 1.359 73 H HN 0.410 nan 8.280 nan 0.000 0.487 74 Y N -1.002 119.259 120.300 -0.064 0.000 2.207 74 Y HA -0.239 4.305 4.550 -0.010 0.000 0.287 74 Y C 2.596 178.502 175.900 0.010 0.000 1.156 74 Y CA 1.119 59.176 58.100 -0.071 0.000 1.182 74 Y CB -1.587 36.906 38.460 0.055 0.000 0.979 74 Y HN 0.356 nan 8.280 nan 0.000 0.521 75 Y N 0.802 121.175 120.300 0.121 0.000 2.181 75 Y HA -0.197 4.347 4.550 -0.010 0.000 0.288 75 Y C 2.288 178.205 175.900 0.028 0.000 1.146 75 Y CA 1.883 60.027 58.100 0.074 0.000 1.164 75 Y CB -0.370 38.128 38.460 0.064 0.000 0.982 75 Y HN 0.190 nan 8.280 nan 0.000 0.515 76 E N -0.415 119.734 120.200 -0.084 0.000 2.028 76 E HA -0.170 4.174 4.350 -0.010 0.000 0.190 76 E C 2.212 178.718 176.600 -0.157 0.000 0.984 76 E CA 0.886 57.202 56.400 -0.139 0.000 0.800 76 E CB -0.087 29.639 29.700 0.043 0.000 0.758 76 E HN 0.078 nan 8.360 nan 0.000 0.448 77 K N 1.070 121.385 120.400 -0.141 0.000 2.217 77 K HA -0.128 4.186 4.320 -0.010 0.000 0.202 77 K C -0.160 176.356 176.600 -0.140 0.000 1.051 77 K CA 0.809 57.005 56.287 -0.151 0.000 0.952 77 K CB -0.259 32.047 32.500 -0.322 0.000 0.736 77 K HN 0.083 nan 8.250 nan 0.000 0.453 78 D N 0.744 121.065 120.400 -0.131 0.000 2.890 78 D HA -0.121 4.513 4.640 -0.010 0.000 0.226 78 D C -2.376 173.871 176.300 -0.088 0.000 1.207 78 D CA 0.060 54.002 54.000 -0.097 0.000 0.764 78 D CB -0.065 40.653 40.800 -0.137 0.000 0.948 78 D HN 0.173 nan 8.370 nan 0.000 0.404 79 P HA 0.061 nan 4.420 nan 0.000 0.274 79 P C -0.029 177.219 177.300 -0.087 0.000 1.260 79 P CA -0.473 62.565 63.100 -0.103 0.000 0.793 79 P CB 0.551 32.159 31.700 -0.152 0.000 1.048 80 K N 0.961 121.314 120.400 -0.077 0.000 2.382 80 K HA 0.097 4.411 4.320 -0.010 0.000 0.275 80 K C -0.070 176.439 176.600 -0.151 0.000 1.009 80 K CA -0.002 56.239 56.287 -0.076 0.000 0.970 80 K CB 0.261 32.733 32.500 -0.046 0.000 0.934 80 K HN 0.309 nan 8.250 nan 0.000 0.479 81 R N 3.640 124.039 120.500 -0.168 0.000 2.514 81 R HA 0.381 4.715 4.340 -0.010 0.000 0.301 81 R C -0.713 175.288 176.300 -0.499 0.000 0.962 81 R CA -0.860 55.039 56.100 -0.334 0.000 0.882 81 R CB 1.127 31.276 30.300 -0.252 0.000 1.143 81 R HN 0.483 nan 8.270 nan 0.000 0.452 82 I N 4.231 124.442 120.570 -0.600 0.000 2.312 82 I HA 0.234 4.398 4.170 -0.010 0.000 0.290 82 I C -0.587 175.181 176.117 -0.582 0.000 1.008 82 I CA -0.924 59.987 61.300 -0.648 0.000 1.226 82 I CB 0.379 37.912 38.000 -0.778 0.000 1.371 82 I HN 0.503 nan 8.210 nan 0.000 0.468 83 Y N 5.726 126.006 120.300 -0.033 0.000 2.352 83 Y HA 0.338 4.882 4.550 -0.010 0.000 0.339 83 Y C -0.318 175.665 175.900 0.138 0.000 0.992 83 Y CA -0.796 57.411 58.100 0.178 0.000 1.100 83 Y CB 1.371 39.916 38.460 0.143 0.000 1.192 83 Y HN 0.415 nan 8.280 nan 0.000 0.458 84 Y N 4.321 124.827 120.300 0.345 0.000 2.717 84 Y HA 0.485 5.030 4.550 -0.009 0.000 0.329 84 Y C -1.354 174.812 175.900 0.444 0.000 1.017 84 Y CA -1.040 57.252 58.100 0.319 0.000 1.275 84 Y CB 0.195 38.842 38.460 0.312 0.000 1.109 84 Y HN 0.581 nan 8.280 nan 0.000 0.511 85 L N 4.734 125.926 121.223 -0.052 0.000 2.278 85 L HA 0.434 4.768 4.340 -0.010 0.000 0.287 85 L C -0.103 176.779 176.870 0.020 0.000 1.072 85 L CA 0.308 55.216 54.840 0.114 0.000 0.819 85 L CB 1.000 43.099 42.059 0.066 0.000 1.176 85 L HN 0.581 nan 8.230 nan 0.000 0.435 86 S N 3.100 118.929 115.700 0.216 0.000 2.556 86 S HA 0.457 4.921 4.470 -0.010 0.000 0.271 86 S C 0.346 175.071 174.600 0.209 0.000 1.135 86 S CA -0.715 57.542 58.200 0.095 0.000 0.858 86 S CB 1.039 64.152 63.200 -0.145 0.000 1.114 86 S HN 0.462 nan 8.310 nan 0.000 0.468 87 L N 2.043 123.389 121.223 0.205 0.000 2.599 87 L HA 0.373 4.707 4.340 -0.010 0.000 0.230 87 L C 0.103 177.137 176.870 0.272 0.000 1.141 87 L CA 1.163 56.166 54.840 0.272 0.000 0.877 87 L CB -1.002 41.212 42.059 0.259 0.000 1.009 87 L HN 0.722 nan 8.230 nan 0.000 0.447 88 E N -1.001 119.225 120.200 0.043 0.000 2.290 88 E HA 0.360 4.704 4.350 -0.010 0.000 0.274 88 E C -1.517 174.800 176.600 -0.471 0.000 0.889 88 E CA -0.358 56.033 56.400 -0.015 0.000 0.760 88 E CB 1.959 31.649 29.700 -0.017 0.000 1.206 88 E HN -0.167 nan 8.360 nan 0.000 0.419 89 F N 2.133 122.191 119.950 0.181 0.000 2.646 89 F HA 0.198 4.719 4.527 -0.010 0.000 0.364 89 F C -0.742 175.143 175.800 0.142 0.000 1.137 89 F CA -0.736 57.358 58.000 0.156 0.000 1.085 89 F CB 0.834 39.916 39.000 0.136 0.000 1.331 89 F HN 0.501 nan 8.300 nan 0.000 0.472 90 Y N 5.049 125.395 120.300 0.077 0.000 2.570 90 Y HA 0.162 4.706 4.550 -0.009 0.000 0.336 90 Y C 1.088 177.004 175.900 0.027 0.000 1.284 90 Y CA -0.730 57.382 58.100 0.021 0.000 1.761 90 Y CB 0.214 38.669 38.460 -0.009 0.000 1.724 90 Y HN 0.544 nan 8.280 nan 0.000 0.455 91 M N 1.012 120.723 119.600 0.185 0.000 2.287 91 M HA 0.099 4.573 4.480 -0.010 0.000 0.266 91 M C 1.611 177.878 176.300 -0.054 0.000 1.079 91 M CA 1.083 56.414 55.300 0.053 0.000 1.146 91 M CB -1.115 31.506 32.600 0.035 0.000 1.374 91 M HN 0.668 nan 8.290 nan 0.000 0.435 92 G N 1.333 110.105 108.800 -0.047 0.000 2.575 92 G HA2 -0.286 3.668 3.960 -0.010 0.000 0.267 92 G HA3 -0.286 3.668 3.960 -0.010 0.000 0.267 92 G C -0.235 174.604 174.900 -0.101 0.000 1.264 92 G CA -0.168 44.870 45.100 -0.102 0.000 0.935 92 G HN 0.465 nan 8.290 nan 0.000 0.568 93 R N -1.023 119.403 120.500 -0.123 0.000 2.707 93 R HA 0.558 4.892 4.340 -0.010 0.000 0.270 93 R C 1.143 177.305 176.300 -0.229 0.000 1.083 93 R CA 0.362 56.392 56.100 -0.117 0.000 1.182 93 R CB 0.432 30.678 30.300 -0.090 0.000 1.084 93 R HN 0.528 nan 8.270 nan 0.000 0.528 94 T N 0.451 114.805 114.554 -0.333 0.000 2.987 94 T HA -0.005 4.339 4.350 -0.010 0.000 0.248 94 T C 1.421 175.671 174.700 -0.750 0.000 0.997 94 T CA -0.162 61.526 62.100 -0.687 0.000 1.013 94 T CB 0.064 68.180 68.868 -1.253 0.000 1.077 94 T HN 0.365 nan 8.240 nan 0.000 0.483 95 L N 2.246 123.240 121.223 -0.382 0.000 1.963 95 L HA -0.141 4.193 4.340 -0.010 0.000 0.220 95 L C 2.410 179.235 176.870 -0.075 0.000 1.076 95 L CA 2.180 57.005 54.840 -0.024 0.000 0.772 95 L CB -0.973 41.340 42.059 0.422 0.000 0.892 95 L HN 0.233 nan 8.230 nan 0.000 0.435 96 Q N -0.532 119.238 119.800 -0.050 0.000 2.096 96 Q HA -0.317 4.017 4.340 -0.010 0.000 0.208 96 Q C 2.301 178.230 176.000 -0.119 0.000 0.993 96 Q CA 2.354 58.117 55.803 -0.067 0.000 0.862 96 Q CB -0.448 28.251 28.738 -0.066 0.000 0.915 96 Q HN 0.753 nan 8.270 nan 0.000 0.416 97 N N -1.271 117.313 118.700 -0.193 0.000 2.061 97 N HA -0.164 4.570 4.740 -0.010 0.000 0.193 97 N C 1.438 176.837 175.510 -0.186 0.000 1.030 97 N CA 2.013 54.937 53.050 -0.210 0.000 0.856 97 N CB -0.023 38.301 38.487 -0.271 0.000 1.023 97 N HN 0.278 nan 8.380 nan 0.000 0.424 98 T N 1.234 115.640 114.554 -0.246 0.000 2.812 98 T HA -0.005 4.339 4.350 -0.010 0.000 0.264 98 T C 2.088 176.736 174.700 -0.088 0.000 1.042 98 T CA 0.828 62.816 62.100 -0.187 0.000 1.140 98 T CB -0.043 68.659 68.868 -0.277 0.000 0.870 98 T HN 0.247 nan 8.240 nan 0.000 0.445 99 M N 0.781 120.344 119.600 -0.062 0.000 2.108 99 M HA -0.126 4.348 4.480 -0.010 0.000 0.261 99 M C 2.432 178.704 176.300 -0.047 0.000 1.066 99 M CA 1.281 56.555 55.300 -0.042 0.000 1.107 99 M CB -0.837 31.752 32.600 -0.019 0.000 1.356 99 M HN 0.102 nan 8.290 nan 0.000 0.406 100 V N 1.223 121.116 119.914 -0.035 0.000 2.222 100 V HA -0.366 3.748 4.120 -0.010 0.000 0.252 100 V C 1.923 178.042 176.094 0.041 0.000 1.060 100 V CA 2.238 64.547 62.300 0.016 0.000 1.027 100 V CB -0.957 30.875 31.823 0.015 0.000 0.644 100 V HN 0.535 nan 8.190 nan 0.000 0.448 101 N N -0.402 118.311 118.700 0.021 0.000 2.512 101 N HA 0.015 4.749 4.740 -0.010 0.000 0.183 101 N C 1.368 176.793 175.510 -0.141 0.000 1.073 101 N CA 0.880 53.922 53.050 -0.013 0.000 0.911 101 N CB 0.092 38.583 38.487 0.007 0.000 0.964 101 N HN 0.461 nan 8.380 nan 0.000 0.447 102 L N -0.170 120.988 121.223 -0.109 0.000 2.693 102 L HA 0.283 4.618 4.340 -0.010 0.000 0.235 102 L C 0.790 177.582 176.870 -0.130 0.000 1.127 102 L CA -0.084 54.689 54.840 -0.112 0.000 0.914 102 L CB 0.171 42.190 42.059 -0.066 0.000 1.193 102 L HN -0.061 nan 8.230 nan 0.000 0.502 103 A N 0.243 122.984 122.820 -0.131 0.000 2.969 103 A HA -0.208 4.106 4.320 -0.010 0.000 0.252 103 A C 0.970 178.499 177.584 -0.091 0.000 1.377 103 A CA 1.002 52.971 52.037 -0.114 0.000 0.859 103 A CB -2.101 16.815 19.000 -0.140 0.000 1.077 103 A HN 0.399 nan 8.150 nan 0.000 0.671 104 L N -1.259 119.907 121.223 -0.095 0.000 2.616 104 L HA 0.146 4.480 4.340 -0.010 0.000 0.229 104 L C 1.973 178.803 176.870 -0.067 0.000 1.110 104 L CA 0.797 55.569 54.840 -0.113 0.000 0.884 104 L CB -0.043 41.906 42.059 -0.184 0.000 1.115 104 L HN 0.625 nan 8.230 nan 0.000 0.481 105 E N 1.361 121.535 120.200 -0.043 0.000 2.049 105 E HA -0.273 4.071 4.350 -0.010 0.000 0.198 105 E C 1.694 178.285 176.600 -0.016 0.000 1.007 105 E CA 2.043 58.431 56.400 -0.021 0.000 0.809 105 E CB 0.060 29.752 29.700 -0.015 0.000 0.749 105 E HN 0.533 nan 8.360 nan 0.000 0.450 106 N N -0.516 118.172 118.700 -0.021 0.000 2.142 106 N HA -0.129 4.606 4.740 -0.010 0.000 0.186 106 N C 1.838 177.337 175.510 -0.018 0.000 1.023 106 N CA 0.695 53.733 53.050 -0.020 0.000 0.852 106 N CB -0.136 38.338 38.487 -0.020 0.000 0.998 106 N HN 0.198 nan 8.380 nan 0.000 0.424 107 A N 1.066 123.873 122.820 -0.023 0.000 1.849 107 A HA -0.240 4.074 4.320 -0.010 0.000 0.217 107 A C 2.483 180.063 177.584 -0.007 0.000 1.202 107 A CA 1.554 53.581 52.037 -0.017 0.000 0.629 107 A CB -1.250 17.731 19.000 -0.032 0.000 0.834 107 A HN 0.514 nan 8.150 nan 0.000 0.447 108 C N -0.738 118.554 119.300 -0.012 0.000 2.403 108 C HA -0.123 4.331 4.460 -0.010 0.000 0.279 108 C C 2.443 177.441 174.990 0.014 0.000 1.269 108 C CA 1.208 60.231 59.018 0.009 0.000 1.774 108 C CB -1.431 26.323 27.740 0.023 0.000 1.993 108 C HN 0.690 nan 8.230 nan 0.000 0.496 109 D N 0.467 120.872 120.400 0.008 0.000 2.117 109 D HA -0.127 4.507 4.640 -0.010 0.000 0.197 109 D C 2.183 178.500 176.300 0.030 0.000 0.987 109 D CA 1.453 55.459 54.000 0.010 0.000 0.829 109 D CB -0.261 40.533 40.800 -0.011 0.000 0.961 109 D HN 0.478 nan 8.370 nan 0.000 0.460 110 E N 0.385 120.599 120.200 0.024 0.000 2.046 110 E HA -0.004 4.340 4.350 -0.010 0.000 0.190 110 E C 1.879 178.532 176.600 0.087 0.000 0.982 110 E CA 1.423 57.863 56.400 0.066 0.000 0.800 110 E CB -0.640 29.080 29.700 0.033 0.000 0.756 110 E HN 0.166 nan 8.360 nan 0.000 0.449 111 A N 0.054 122.890 122.820 0.026 0.000 1.881 111 A HA -0.317 3.997 4.320 -0.010 0.000 0.219 111 A C 2.554 180.087 177.584 -0.085 0.000 1.215 111 A CA 3.624 55.649 52.037 -0.020 0.000 0.648 111 A CB -1.712 17.278 19.000 -0.017 0.000 0.832 111 A HN 0.546 nan 8.150 nan 0.000 0.455 112 T N -4.330 110.176 114.554 -0.081 0.000 2.942 112 T HA -0.151 4.193 4.350 -0.010 0.000 0.265 112 T C 1.827 176.475 174.700 -0.087 0.000 1.062 112 T CA 1.502 63.504 62.100 -0.163 0.000 1.139 112 T CB -0.519 68.294 68.868 -0.092 0.000 0.883 112 T HN 0.481 nan 8.240 nan 0.000 0.468 113 Y N 2.210 122.442 120.300 -0.113 0.000 2.128 113 Y HA -0.106 4.438 4.550 -0.009 0.000 0.284 113 Y C 2.588 178.433 175.900 -0.092 0.000 1.154 113 Y CA 1.658 59.708 58.100 -0.084 0.000 1.149 113 Y CB -0.679 37.748 38.460 -0.054 0.000 0.976 113 Y HN 0.265 nan 8.280 nan 0.000 0.505 114 Q N -0.225 119.454 119.800 -0.201 0.000 2.170 114 Q HA -0.124 4.210 4.340 -0.010 0.000 0.203 114 Q C 1.982 177.836 176.000 -0.243 0.000 0.976 114 Q CA 1.510 57.155 55.803 -0.263 0.000 0.858 114 Q CB -0.173 28.510 28.738 -0.092 0.000 0.907 114 Q HN 0.510 nan 8.270 nan 0.000 0.433 115 L N -0.507 120.570 121.223 -0.243 0.000 2.610 115 L HA 0.096 4.430 4.340 -0.010 0.000 0.232 115 L C 0.912 177.625 176.870 -0.262 0.000 1.149 115 L CA 0.293 54.974 54.840 -0.265 0.000 0.872 115 L CB -0.156 41.658 42.059 -0.409 0.000 0.992 115 L HN 0.321 nan 8.230 nan 0.000 0.447 116 G N 0.884 109.525 108.800 -0.266 0.000 2.225 116 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.264 116 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.264 116 G C -0.247 174.540 174.900 -0.188 0.000 1.060 116 G CA -0.167 44.797 45.100 -0.226 0.000 0.833 116 G HN 0.252 nan 8.290 nan 0.000 0.498 117 L N 0.065 121.182 121.223 -0.176 0.000 2.409 117 L HA 0.447 4.781 4.340 -0.010 0.000 0.272 117 L C -0.613 176.247 176.870 -0.017 0.000 0.980 117 L CA -1.155 53.604 54.840 -0.135 0.000 0.826 117 L CB 2.024 43.943 42.059 -0.234 0.000 1.268 117 L HN 0.156 nan 8.230 nan 0.000 0.407 118 D N 3.219 123.637 120.400 0.031 0.000 2.336 118 D HA 0.099 4.733 4.640 -0.010 0.000 0.249 118 D C 0.820 177.164 176.300 0.073 0.000 1.213 118 D CA -0.114 53.925 54.000 0.066 0.000 0.870 118 D CB 1.356 42.197 40.800 0.069 0.000 1.076 118 D HN 0.551 nan 8.370 nan 0.000 0.483 119 M N 3.334 122.976 119.600 0.071 0.000 2.202 119 M HA -0.175 4.299 4.480 -0.010 0.000 0.262 119 M C 1.383 177.741 176.300 0.097 0.000 1.063 119 M CA 1.573 56.926 55.300 0.089 0.000 1.097 119 M CB 0.115 32.757 32.600 0.069 0.000 1.382 119 M HN 0.452 nan 8.290 nan 0.000 0.413 120 E N -0.152 120.093 120.200 0.073 0.000 2.077 120 E HA -0.277 4.067 4.350 -0.010 0.000 0.193 120 E C 1.881 178.528 176.600 0.079 0.000 0.989 120 E CA 1.667 58.108 56.400 0.067 0.000 0.800 120 E CB -0.224 29.509 29.700 0.056 0.000 0.746 120 E HN 0.679 nan 8.360 nan 0.000 0.452 121 E N 0.906 121.156 120.200 0.084 0.000 2.077 121 E HA -0.196 4.148 4.350 -0.010 0.000 0.193 121 E C 2.177 178.842 176.600 0.107 0.000 0.989 121 E CA 0.784 57.237 56.400 0.088 0.000 0.800 121 E CB 0.004 29.754 29.700 0.083 0.000 0.746 121 E HN 0.191 nan 8.360 nan 0.000 0.452 122 L N 0.506 121.819 121.223 0.149 0.000 2.046 122 L HA -0.174 4.160 4.340 -0.010 0.000 0.208 122 L C 2.529 179.506 176.870 0.178 0.000 1.077 122 L CA 1.431 56.405 54.840 0.223 0.000 0.747 122 L CB -0.528 41.714 42.059 0.304 0.000 0.896 122 L HN 0.199 nan 8.230 nan 0.000 0.432 123 E N -0.077 120.207 120.200 0.141 0.000 2.118 123 E HA -0.221 4.123 4.350 -0.010 0.000 0.195 123 E C 1.960 178.545 176.600 -0.024 0.000 0.992 123 E CA 0.915 57.362 56.400 0.077 0.000 0.804 123 E CB 0.063 29.809 29.700 0.075 0.000 0.741 123 E HN 0.335 nan 8.360 nan 0.000 0.458 124 E N 0.234 120.437 120.200 0.005 0.000 2.478 124 E HA -0.115 4.229 4.350 -0.010 0.000 0.198 124 E C 1.738 178.296 176.600 -0.070 0.000 1.046 124 E CA 0.370 56.767 56.400 -0.004 0.000 0.870 124 E CB 0.142 29.872 29.700 0.050 0.000 0.818 124 E HN 0.357 nan 8.360 nan 0.000 0.527 125 I N 0.353 120.833 120.570 -0.150 0.000 2.500 125 I HA -0.071 4.093 4.170 -0.010 0.000 0.252 125 I C 1.294 177.133 176.117 -0.463 0.000 1.142 125 I CA 0.285 61.430 61.300 -0.259 0.000 1.451 125 I CB -0.802 37.059 38.000 -0.231 0.000 1.093 125 I HN 0.078 nan 8.210 nan 0.000 0.430 126 E N 3.073 122.875 120.200 -0.663 0.000 2.465 126 E HA -0.076 4.268 4.350 -0.010 0.000 0.260 126 E C -0.124 176.369 176.600 -0.179 0.000 0.980 126 E CA -0.151 55.892 56.400 -0.596 0.000 0.927 126 E CB 0.652 30.055 29.700 -0.495 0.000 0.934 126 E HN 0.085 nan 8.360 nan 0.000 0.459 127 E N 3.578 123.756 120.200 -0.037 0.000 2.384 127 E HA 0.019 4.363 4.350 -0.010 0.000 0.266 127 E C -0.744 175.950 176.600 0.156 0.000 1.012 127 E CA 0.068 56.550 56.400 0.137 0.000 0.901 127 E CB 0.555 30.444 29.700 0.316 0.000 0.967 127 E HN 0.471 nan 8.360 nan 0.000 0.435 128 D N 0.703 121.168 120.400 0.109 0.000 2.399 128 D HA 0.159 4.793 4.640 -0.010 0.000 0.241 128 D C -0.200 176.109 176.300 0.016 0.000 1.133 128 D CA 0.053 54.083 54.000 0.049 0.000 0.890 128 D CB 0.618 41.420 40.800 0.003 0.000 1.201 128 D HN 0.393 nan 8.370 nan 0.000 0.432 129 A N 2.050 124.812 122.820 -0.097 0.000 2.990 129 A HA 0.410 4.725 4.320 -0.010 0.000 0.282 129 A C 1.140 178.527 177.584 -0.327 0.000 1.688 129 A CA -0.348 51.364 52.037 -0.542 0.000 1.391 129 A CB -0.691 18.126 19.000 -0.306 0.000 1.112 129 A HN 0.524 nan 8.150 nan 0.000 0.588 130 G N 1.357 110.002 108.800 -0.258 0.000 3.263 130 G HA2 0.289 4.243 3.960 -0.010 0.000 0.246 130 G HA3 0.289 4.243 3.960 -0.010 0.000 0.246 130 G C 0.434 175.191 174.900 -0.239 0.000 0.982 130 G CA -0.257 44.806 45.100 -0.062 0.000 1.897 130 G HN 0.699 nan 8.290 nan 0.000 0.624 131 L N 1.280 122.393 121.223 -0.184 0.000 2.855 131 L HA 0.323 4.657 4.340 -0.010 0.000 0.245 131 L C 1.155 177.942 176.870 -0.138 0.000 1.276 131 L CA -0.143 54.644 54.840 -0.089 0.000 1.118 131 L CB -0.544 41.559 42.059 0.073 0.000 1.444 131 L HN 0.356 nan 8.230 nan 0.000 0.440 132 G N -1.296 107.176 108.800 -0.546 0.000 2.645 132 G HA2 0.207 4.161 3.960 -0.010 0.000 0.292 132 G HA3 0.207 4.161 3.960 -0.010 0.000 0.292 132 G C -0.094 174.222 174.900 -0.973 0.000 1.415 132 G CA -0.418 44.296 45.100 -0.644 0.000 0.785 132 G HN -0.072 nan 8.290 nan 0.000 0.483 133 N N -1.055 117.335 118.700 -0.517 0.000 2.463 133 N HA 0.229 4.963 4.740 -0.010 0.000 0.183 133 N C 1.031 176.520 175.510 -0.035 0.000 1.064 133 N CA 1.121 53.998 53.050 -0.289 0.000 0.879 133 N CB 1.580 40.034 38.487 -0.055 0.000 1.148 133 N HN 0.789 nan 8.380 nan 0.000 0.451 134 G N -0.694 108.182 108.800 0.126 0.000 2.947 134 G HA2 0.222 4.176 3.960 -0.010 0.000 0.115 134 G HA3 0.222 4.176 3.960 -0.010 0.000 0.115 134 G C 0.555 175.590 174.900 0.225 0.000 1.214 134 G CA 0.315 45.580 45.100 0.275 0.000 1.324 134 G HN 0.149 nan 8.290 nan 0.000 0.645 135 G N 0.220 109.089 108.800 0.114 0.000 2.396 135 G HA2 0.111 4.065 3.960 -0.010 0.000 0.214 135 G HA3 0.111 4.065 3.960 -0.010 0.000 0.214 135 G C 1.857 176.751 174.900 -0.010 0.000 1.166 135 G CA 1.116 46.247 45.100 0.051 0.000 0.793 135 G HN 0.732 nan 8.290 nan 0.000 0.533 136 L N 0.841 122.019 121.223 -0.075 0.000 2.043 136 L HA -0.025 4.309 4.340 -0.010 0.000 0.212 136 L C 2.692 179.467 176.870 -0.159 0.000 1.075 136 L CA 2.095 56.776 54.840 -0.265 0.000 0.752 136 L CB -0.551 41.189 42.059 -0.531 0.000 0.891 136 L HN 0.250 nan 8.230 nan 0.000 0.432 137 G N -0.484 108.283 108.800 -0.055 0.000 2.404 137 G HA2 -0.318 3.636 3.960 -0.010 0.000 0.215 137 G HA3 -0.318 3.636 3.960 -0.010 0.000 0.215 137 G C 1.603 176.551 174.900 0.079 0.000 1.174 137 G CA 0.701 45.794 45.100 -0.012 0.000 0.780 137 G HN 0.308 nan 8.290 nan 0.000 0.537 138 R N -0.035 120.568 120.500 0.173 0.000 2.148 138 R HA 0.107 4.441 4.340 -0.010 0.000 0.227 138 R C 2.299 178.603 176.300 0.006 0.000 1.103 138 R CA 0.771 56.945 56.100 0.123 0.000 0.983 138 R CB -0.766 29.573 30.300 0.064 0.000 0.874 138 R HN 0.368 nan 8.270 nan 0.000 0.451 139 L N -0.041 121.109 121.223 -0.123 0.000 2.027 139 L HA 0.045 4.379 4.340 -0.010 0.000 0.206 139 L C 2.078 178.602 176.870 -0.577 0.000 1.074 139 L CA 2.105 56.713 54.840 -0.387 0.000 0.745 139 L CB -0.995 40.809 42.059 -0.426 0.000 0.898 139 L HN 0.215 nan 8.230 nan 0.000 0.433 140 A N -0.195 122.421 122.820 -0.340 0.000 1.896 140 A HA -0.310 4.004 4.320 -0.010 0.000 0.220 140 A C 2.454 180.076 177.584 0.063 0.000 1.206 140 A CA 2.715 54.640 52.037 -0.186 0.000 0.647 140 A CB -1.454 17.384 19.000 -0.269 0.000 0.828 140 A HN 0.621 nan 8.150 nan 0.000 0.455 141 A N -1.507 121.400 122.820 0.145 0.000 1.898 141 A HA -0.135 4.179 4.320 -0.010 0.000 0.216 141 A C 2.337 180.008 177.584 0.146 0.000 1.181 141 A CA 1.620 53.789 52.037 0.220 0.000 0.620 141 A CB -1.317 17.796 19.000 0.189 0.000 0.819 141 A HN 0.637 nan 8.150 nan 0.000 0.442 142 C N -1.450 117.929 119.300 0.132 0.000 2.413 142 C HA -0.120 4.334 4.460 -0.010 0.000 0.276 142 C C 2.441 177.595 174.990 0.273 0.000 1.248 142 C CA 0.899 60.035 59.018 0.197 0.000 1.742 142 C CB -1.610 26.265 27.740 0.224 0.000 2.017 142 C HN 0.607 nan 8.230 nan 0.000 0.481 143 F N 0.432 120.366 119.950 -0.027 0.000 2.075 143 F HA -0.072 4.449 4.527 -0.010 0.000 0.297 143 F C 2.127 177.878 175.800 -0.082 0.000 1.113 143 F CA 1.057 58.990 58.000 -0.111 0.000 1.218 143 F CB -1.553 37.235 39.000 -0.354 0.000 0.984 143 F HN 0.054 nan 8.300 nan 0.000 0.472 144 L N 0.522 121.822 121.223 0.128 0.000 2.011 144 L HA -0.319 4.015 4.340 -0.010 0.000 0.225 144 L C 2.423 179.313 176.870 0.033 0.000 1.084 144 L CA 2.172 57.051 54.840 0.065 0.000 0.791 144 L CB -1.521 40.583 42.059 0.074 0.000 0.898 144 L HN 0.247 nan 8.230 nan 0.000 0.440 145 D N -1.242 119.184 120.400 0.044 0.000 2.158 145 D HA -0.175 4.459 4.640 -0.010 0.000 0.197 145 D C 1.877 178.201 176.300 0.040 0.000 0.995 145 D CA 1.697 55.712 54.000 0.025 0.000 0.846 145 D CB 0.417 41.230 40.800 0.022 0.000 0.941 145 D HN 0.390 nan 8.370 nan 0.000 0.456 146 S N -0.507 115.232 115.700 0.065 0.000 2.421 146 S HA 0.048 4.512 4.470 -0.010 0.000 0.224 146 S C 2.081 176.700 174.600 0.031 0.000 1.035 146 S CA 0.210 58.440 58.200 0.050 0.000 0.953 146 S CB 0.055 63.292 63.200 0.061 0.000 0.810 146 S HN 0.306 nan 8.310 nan 0.000 0.497 147 M N 1.372 120.984 119.600 0.020 0.000 2.213 147 M HA -0.087 4.387 4.480 -0.010 0.000 0.263 147 M C 2.458 178.765 176.300 0.011 0.000 1.062 147 M CA 1.303 56.611 55.300 0.013 0.000 1.105 147 M CB -0.628 31.964 32.600 -0.014 0.000 1.385 147 M HN 0.390 nan 8.290 nan 0.000 0.417 148 A N 0.324 123.151 122.820 0.011 0.000 1.865 148 A HA -0.163 4.151 4.320 -0.010 0.000 0.217 148 A C 2.186 179.794 177.584 0.039 0.000 1.191 148 A CA 2.362 54.411 52.037 0.020 0.000 0.623 148 A CB -1.285 17.715 19.000 0.000 0.000 0.826 148 A HN 0.441 nan 8.150 nan 0.000 0.444 149 T N 0.285 114.866 114.554 0.044 0.000 2.849 149 T HA -0.054 4.290 4.350 -0.010 0.000 0.270 149 T C 1.310 176.043 174.700 0.055 0.000 1.066 149 T CA 1.268 63.406 62.100 0.062 0.000 1.130 149 T CB -0.304 68.606 68.868 0.069 0.000 0.864 149 T HN 0.340 nan 8.240 nan 0.000 0.481 150 L N 0.353 121.604 121.223 0.047 0.000 2.653 150 L HA 0.300 4.634 4.340 -0.010 0.000 0.231 150 L C 1.683 178.585 176.870 0.052 0.000 1.153 150 L CA -0.055 54.813 54.840 0.047 0.000 0.933 150 L CB -0.386 41.700 42.059 0.045 0.000 1.175 150 L HN 0.402 nan 8.230 nan 0.000 0.473 151 G N 1.008 109.844 108.800 0.060 0.000 2.225 151 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.267 151 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.267 151 G C 0.191 175.135 174.900 0.073 0.000 1.024 151 G CA 0.147 45.298 45.100 0.086 0.000 0.784 151 G HN 0.290 nan 8.290 nan 0.000 0.507 152 L N -0.422 120.816 121.223 0.025 0.000 2.399 152 L HA 0.616 4.950 4.340 -0.010 0.000 0.266 152 L C 1.258 177.990 176.870 -0.230 0.000 1.114 152 L CA -0.334 54.468 54.840 -0.063 0.000 0.804 152 L CB 1.517 43.550 42.059 -0.044 0.000 1.146 152 L HN 0.214 nan 8.230 nan 0.000 0.451 153 A N 2.347 124.870 122.820 -0.494 0.000 3.118 153 A HA 0.558 4.872 4.320 -0.010 0.000 0.256 153 A C 0.331 177.429 177.584 -0.810 0.000 1.667 153 A CA -0.219 51.175 52.037 -1.073 0.000 1.338 153 A CB -0.699 17.599 19.000 -1.169 0.000 1.127 153 A HN 0.678 nan 8.150 nan 0.000 0.634 154 A N 0.644 123.078 122.820 -0.644 0.000 2.312 154 A HA 0.778 5.092 4.320 -0.010 0.000 0.328 154 A C -1.016 176.185 177.584 -0.639 0.000 1.158 154 A CA -0.398 51.332 52.037 -0.512 0.000 0.821 154 A CB 0.597 19.424 19.000 -0.288 0.000 1.170 154 A HN 0.563 nan 8.150 nan 0.000 0.490 155 Y N 0.358 120.606 120.300 -0.086 0.000 2.329 155 Y HA 0.490 5.035 4.550 -0.009 0.000 0.328 155 Y C 0.886 176.891 175.900 0.176 0.000 0.992 155 Y CA -0.454 57.675 58.100 0.048 0.000 1.151 155 Y CB 2.039 40.647 38.460 0.247 0.000 1.150 155 Y HN 0.871 nan 8.280 nan 0.000 0.450 156 G N 2.223 111.126 108.800 0.172 0.000 2.406 156 G HA2 0.321 4.275 3.960 -0.010 0.000 0.251 156 G HA3 0.321 4.275 3.960 -0.010 0.000 0.251 156 G C -1.532 173.367 174.900 -0.002 0.000 1.271 156 G CA -0.010 45.183 45.100 0.156 0.000 0.859 156 G HN 0.606 nan 8.290 nan 0.000 0.540 157 Y N 1.121 121.608 120.300 0.311 0.000 2.331 157 Y HA 0.552 5.096 4.550 -0.010 0.000 0.326 157 Y C 0.676 176.856 175.900 0.466 0.000 1.020 157 Y CA 0.036 58.313 58.100 0.294 0.000 1.136 157 Y CB 2.466 41.114 38.460 0.314 0.000 1.157 157 Y HN 0.920 nan 8.280 nan 0.000 0.444 158 G N 2.300 111.429 108.800 0.548 0.000 2.846 158 G HA2 0.513 4.467 3.960 -0.010 0.000 0.299 158 G HA3 0.513 4.467 3.960 -0.010 0.000 0.299 158 G C -2.070 173.070 174.900 0.401 0.000 1.242 158 G CA -0.802 44.631 45.100 0.555 0.000 0.800 158 G HN 0.545 nan 8.290 nan 0.000 0.538 159 I N 0.236 120.934 120.570 0.215 0.000 2.433 159 I HA 0.607 4.771 4.170 -0.010 0.000 0.292 159 I C 0.359 176.405 176.117 -0.118 0.000 1.001 159 I CA -1.131 60.192 61.300 0.038 0.000 1.119 159 I CB 1.703 39.579 38.000 -0.207 0.000 1.289 159 I HN 0.452 nan 8.210 nan 0.000 0.438 160 R N 7.026 127.566 120.500 0.066 0.000 2.609 160 R HA 0.184 4.518 4.340 -0.010 0.000 0.271 160 R C -1.412 174.967 176.300 0.131 0.000 1.403 160 R CA -0.275 55.892 56.100 0.111 0.000 1.138 160 R CB -0.151 30.194 30.300 0.075 0.000 1.142 160 R HN 0.539 nan 8.270 nan 0.000 0.559 161 Y N 1.671 122.142 120.300 0.285 0.000 2.497 161 Y HA -0.054 4.490 4.550 -0.010 0.000 0.334 161 Y C 1.568 177.657 175.900 0.314 0.000 1.199 161 Y CA -0.036 58.220 58.100 0.259 0.000 1.425 161 Y CB 0.655 39.243 38.460 0.213 0.000 1.291 161 Y HN 0.552 nan 8.280 nan 0.000 0.562 162 E N 1.594 121.979 120.200 0.309 0.000 2.049 162 E HA -0.170 4.174 4.350 -0.010 0.000 0.198 162 E C -0.679 175.791 176.600 -0.217 0.000 1.007 162 E CA 1.332 57.709 56.400 -0.039 0.000 0.809 162 E CB -0.021 29.572 29.700 -0.179 0.000 0.749 162 E HN 0.423 nan 8.360 nan 0.000 0.450 163 F N -0.321 119.834 119.950 0.341 0.000 2.507 163 F HA 0.412 4.933 4.527 -0.010 0.000 0.328 163 F C 0.771 176.634 175.800 0.106 0.000 1.136 163 F CA -0.947 57.206 58.000 0.255 0.000 0.930 163 F CB 1.793 40.878 39.000 0.142 0.000 1.166 163 F HN -0.145 nan 8.300 nan 0.000 0.436 164 G N 1.616 110.497 108.800 0.135 0.000 2.494 164 G HA2 0.351 4.305 3.960 -0.010 0.000 0.270 164 G HA3 0.351 4.305 3.960 -0.010 0.000 0.270 164 G C -0.505 174.348 174.900 -0.079 0.000 1.423 164 G CA -0.744 44.286 45.100 -0.116 0.000 1.055 164 G HN 0.603 nan 8.290 nan 0.000 0.536 165 I N 0.861 121.322 120.570 -0.182 0.000 2.821 165 I HA 0.114 4.278 4.170 -0.010 0.000 0.294 165 I C 0.682 176.747 176.117 -0.086 0.000 1.210 165 I CA -0.930 60.259 61.300 -0.184 0.000 1.430 165 I CB -0.481 37.306 38.000 -0.354 0.000 1.356 165 I HN 0.352 nan 8.210 nan 0.000 0.563 166 F N 5.792 125.755 119.950 0.022 0.000 2.623 166 F HA 0.031 4.552 4.527 -0.010 0.000 0.381 166 F C 0.507 176.361 175.800 0.089 0.000 1.081 166 F CA -0.416 57.619 58.000 0.058 0.000 1.293 166 F CB -0.880 38.141 39.000 0.033 0.000 1.006 166 F HN 0.558 nan 8.300 nan 0.000 0.578 167 N N 3.353 122.217 118.700 0.273 0.000 2.468 167 N HA -0.028 4.706 4.740 -0.010 0.000 0.265 167 N C -0.522 175.233 175.510 0.408 0.000 1.199 167 N CA -0.402 52.795 53.050 0.245 0.000 0.928 167 N CB 0.427 39.044 38.487 0.217 0.000 1.059 167 N HN 0.714 nan 8.380 nan 0.000 0.467 168 Q N 2.732 122.736 119.800 0.340 0.000 2.274 168 Q HA 0.185 4.519 4.340 -0.010 0.000 0.256 168 Q C -1.059 175.115 176.000 0.290 0.000 0.927 168 Q CA -0.329 55.716 55.803 0.403 0.000 0.939 168 Q CB 0.698 29.680 28.738 0.407 0.000 1.201 168 Q HN 0.373 nan 8.270 nan 0.000 0.426 169 K N 4.488 125.040 120.400 0.254 0.000 2.324 169 K HA 0.469 4.783 4.320 -0.010 0.000 0.253 169 K C -0.736 175.975 176.600 0.185 0.000 0.932 169 K CA -0.864 55.547 56.287 0.207 0.000 0.799 169 K CB 1.646 34.244 32.500 0.163 0.000 1.154 169 K HN 0.622 nan 8.250 nan 0.000 0.425 170 I N 1.936 122.612 120.570 0.178 0.000 2.336 170 I HA 0.222 4.386 4.170 -0.010 0.000 0.292 170 I C 0.016 176.208 176.117 0.124 0.000 0.991 170 I CA -0.695 60.684 61.300 0.133 0.000 1.227 170 I CB 1.205 39.277 38.000 0.120 0.000 1.366 170 I HN 0.549 nan 8.210 nan 0.000 0.466 171 C N 4.995 124.376 119.300 0.134 0.000 2.432 171 C HA 0.621 5.075 4.460 -0.010 0.000 0.334 171 C C 1.085 176.183 174.990 0.181 0.000 1.155 171 C CA 0.389 59.488 59.018 0.134 0.000 1.335 171 C CB -0.011 27.798 27.740 0.114 0.000 1.964 171 C HN 1.123 nan 8.230 nan 0.000 0.444 172 G N 3.733 112.615 108.800 0.137 0.000 2.166 172 G HA2 0.059 4.013 3.960 -0.010 0.000 0.260 172 G HA3 0.059 4.013 3.960 -0.010 0.000 0.260 172 G C 1.328 176.294 174.900 0.110 0.000 0.986 172 G CA 1.287 46.489 45.100 0.171 0.000 0.683 172 G HN 2.728 nan 8.290 nan 0.000 0.527 173 G N -2.882 105.923 108.800 0.009 0.000 2.159 173 G HA2 -0.254 3.700 3.960 -0.010 0.000 0.256 173 G HA3 -0.254 3.700 3.960 -0.010 0.000 0.256 173 G C 0.242 174.948 174.900 -0.324 0.000 0.977 173 G CA 0.670 45.656 45.100 -0.190 0.000 0.652 173 G HN 1.236 nan 8.290 nan 0.000 0.531 174 W N 0.445 121.701 121.300 -0.073 0.000 2.570 174 W HA 0.670 5.324 4.660 -0.010 0.000 0.337 174 W C 0.587 177.061 176.519 -0.075 0.000 1.067 174 W CA -0.992 56.298 57.345 -0.092 0.000 1.229 174 W CB 0.789 30.210 29.460 -0.066 0.000 1.355 174 W HN 0.255 nan 8.180 nan 0.000 0.555 175 Q N 2.763 122.654 119.800 0.153 0.000 2.337 175 Q HA 0.195 4.529 4.340 -0.010 0.000 0.270 175 Q C -0.703 175.360 176.000 0.104 0.000 1.002 175 Q CA 0.237 56.116 55.803 0.127 0.000 0.888 175 Q CB 0.529 29.340 28.738 0.121 0.000 1.222 175 Q HN 0.295 nan 8.270 nan 0.000 0.400 176 M N 3.640 123.295 119.600 0.090 0.000 2.134 176 M HA 0.327 4.801 4.480 -0.010 0.000 0.310 176 M C -1.209 175.114 176.300 0.038 0.000 0.966 176 M CA -0.663 54.659 55.300 0.036 0.000 0.922 176 M CB 1.372 34.008 32.600 0.060 0.000 1.537 176 M HN 0.568 nan 8.290 nan 0.000 0.424 177 E N 1.941 122.077 120.200 -0.107 0.000 2.289 177 E HA 0.368 4.712 4.350 -0.010 0.000 0.278 177 E C -0.577 176.021 176.600 -0.004 0.000 1.032 177 E CA 0.010 56.313 56.400 -0.161 0.000 0.854 177 E CB 1.134 30.477 29.700 -0.594 0.000 1.046 177 E HN 0.425 nan 8.360 nan 0.000 0.409 178 E N 0.867 121.148 120.200 0.134 0.000 2.299 178 E HA 0.587 4.931 4.350 -0.010 0.000 0.265 178 E C -0.992 175.700 176.600 0.154 0.000 0.911 178 E CA -1.345 55.121 56.400 0.109 0.000 0.789 178 E CB 1.778 31.554 29.700 0.127 0.000 1.246 178 E HN 0.554 nan 8.360 nan 0.000 0.427 179 A N 1.742 124.613 122.820 0.085 0.000 2.454 179 A HA 0.056 4.371 4.320 -0.010 0.000 0.260 179 A C -0.191 177.590 177.584 0.328 0.000 1.106 179 A CA -0.073 52.019 52.037 0.091 0.000 0.780 179 A CB -0.027 18.826 19.000 -0.245 0.000 1.044 179 A HN 0.576 nan 8.150 nan 0.000 0.498 180 D N 2.222 122.884 120.400 0.436 0.000 2.470 180 D HA 0.153 4.787 4.640 -0.010 0.000 0.226 180 D C -0.472 176.154 176.300 0.544 0.000 1.196 180 D CA -0.105 54.147 54.000 0.419 0.000 0.979 180 D CB 0.315 41.290 40.800 0.292 0.000 1.059 180 D HN 0.376 nan 8.370 nan 0.000 0.515 181 D N 4.002 124.668 120.400 0.444 0.000 2.619 181 D HA 0.006 4.640 4.640 -0.010 0.000 0.224 181 D C 0.989 177.362 176.300 0.122 0.000 1.133 181 D CA -0.629 53.493 54.000 0.203 0.000 1.017 181 D CB -0.129 40.822 40.800 0.251 0.000 1.077 181 D HN 0.549 nan 8.370 nan 0.000 0.503 182 W N 2.469 123.754 121.300 -0.024 0.000 2.658 182 W HA 0.051 4.706 4.660 -0.010 0.000 0.263 182 W C 0.227 176.780 176.519 0.055 0.000 1.274 182 W CA -0.034 57.341 57.345 0.050 0.000 1.343 182 W CB -0.708 28.791 29.460 0.066 0.000 1.106 182 W HN 0.151 nan 8.180 nan 0.000 0.615 183 L N 1.439 122.202 121.223 -0.766 0.000 2.612 183 L HA 0.176 4.510 4.340 -0.010 0.000 0.230 183 L C 2.695 179.386 176.870 -0.298 0.000 1.140 183 L CA 0.029 54.471 54.840 -0.664 0.000 0.896 183 L CB -0.714 40.835 42.059 -0.851 0.000 1.065 183 L HN -0.073 nan 8.230 nan 0.000 0.447 184 R N 0.889 121.247 120.500 -0.236 0.000 2.134 184 R HA -0.249 4.086 4.340 -0.010 0.000 0.248 184 R C 1.173 177.289 176.300 -0.307 0.000 1.143 184 R CA 2.214 58.111 56.100 -0.339 0.000 0.957 184 R CB -0.223 29.723 30.300 -0.590 0.000 0.867 184 R HN 0.340 nan 8.270 nan 0.000 0.441 185 Y N -0.243 120.081 120.300 0.040 0.000 2.524 185 Y HA 0.339 4.883 4.550 -0.010 0.000 0.266 185 Y C 1.017 177.010 175.900 0.154 0.000 1.180 185 Y CA 0.274 58.450 58.100 0.127 0.000 1.244 185 Y CB 0.637 39.265 38.460 0.280 0.000 1.125 185 Y HN 0.464 nan 8.280 nan 0.000 0.524 186 G N 1.612 110.490 108.800 0.129 0.000 2.855 186 G HA2 -0.282 3.673 3.960 -0.010 0.000 0.352 186 G HA3 -0.282 3.673 3.960 -0.010 0.000 0.352 186 G C -0.876 174.116 174.900 0.153 0.000 1.415 186 G CA -0.334 44.812 45.100 0.077 0.000 0.871 186 G HN 0.367 nan 8.290 nan 0.000 0.543 187 N N 0.546 119.301 118.700 0.092 0.000 2.581 187 N HA 0.490 5.224 4.740 -0.010 0.000 0.279 187 N C -0.930 174.610 175.510 0.050 0.000 1.124 187 N CA -1.498 51.584 53.050 0.054 0.000 0.833 187 N CB 2.034 40.461 38.487 -0.100 0.000 1.338 187 N HN 0.252 nan 8.380 nan 0.000 0.533 188 P HA 0.006 nan 4.420 nan 0.000 0.226 188 P C 0.746 177.817 177.300 -0.381 0.000 1.153 188 P CA 0.728 63.626 63.100 -0.337 0.000 0.777 188 P CB 0.166 31.376 31.700 -0.817 0.000 0.794 189 W N 1.916 123.258 121.300 0.068 0.000 2.494 189 W HA 0.019 4.673 4.660 -0.009 0.000 0.286 189 W C 1.448 178.019 176.519 0.087 0.000 1.218 189 W CA -0.267 57.106 57.345 0.047 0.000 1.313 189 W CB -0.314 29.172 29.460 0.044 0.000 1.105 189 W HN -0.031 nan 8.180 nan 0.000 0.561 190 E N 1.811 122.192 120.200 0.301 0.000 2.374 190 E HA 0.239 4.583 4.350 -0.010 0.000 0.260 190 E C -0.590 176.199 176.600 0.315 0.000 1.101 190 E CA -0.475 56.112 56.400 0.311 0.000 0.907 190 E CB 1.102 30.994 29.700 0.319 0.000 1.014 190 E HN -0.334 nan 8.360 nan 0.000 0.427 191 K N 1.186 121.796 120.400 0.351 0.000 2.579 191 K HA 0.398 4.712 4.320 -0.010 0.000 0.250 191 K C -1.172 175.475 176.600 0.078 0.000 0.952 191 K CA -0.494 55.935 56.287 0.237 0.000 0.857 191 K CB 1.550 34.202 32.500 0.253 0.000 1.123 191 K HN 0.672 nan 8.250 nan 0.000 0.433 192 A N 4.069 126.852 122.820 -0.061 0.000 2.531 192 A HA 0.289 4.603 4.320 -0.010 0.000 0.236 192 A C -0.266 177.165 177.584 -0.255 0.000 1.062 192 A CA 0.094 51.867 52.037 -0.439 0.000 0.760 192 A CB 0.175 18.947 19.000 -0.380 0.000 0.995 192 A HN 0.635 nan 8.150 nan 0.000 0.501 193 R N 3.084 123.411 120.500 -0.289 0.000 2.748 193 R HA 0.218 4.552 4.340 -0.010 0.000 0.283 193 R C -2.367 173.894 176.300 -0.065 0.000 1.507 193 R CA -1.929 54.117 56.100 -0.089 0.000 1.666 193 R CB 0.578 30.898 30.300 0.032 0.000 1.237 193 R HN 0.535 nan 8.270 nan 0.000 0.633 194 P HA -0.199 nan 4.420 nan 0.000 0.218 194 P C 1.041 178.297 177.300 -0.073 0.000 1.148 194 P CA 1.201 64.259 63.100 -0.070 0.000 0.822 194 P CB 0.377 32.036 31.700 -0.068 0.000 0.784 195 E N 0.209 120.307 120.200 -0.171 0.000 2.171 195 E HA -0.195 4.149 4.350 -0.010 0.000 0.197 195 E C 1.136 177.410 176.600 -0.543 0.000 0.997 195 E CA 1.276 57.451 56.400 -0.375 0.000 0.810 195 E CB -1.389 28.057 29.700 -0.424 0.000 0.738 195 E HN 0.370 nan 8.360 nan 0.000 0.467 196 F N 1.609 121.567 119.950 0.013 0.000 2.684 196 F HA 0.221 4.742 4.527 -0.010 0.000 0.298 196 F C 0.425 176.328 175.800 0.172 0.000 1.120 196 F CA -0.455 57.590 58.000 0.076 0.000 1.332 196 F CB 0.542 39.571 39.000 0.049 0.000 0.986 196 F HN -0.302 nan 8.300 nan 0.000 0.524 197 T N 3.355 118.042 114.554 0.221 0.000 2.902 197 T HA 0.241 4.585 4.350 -0.010 0.000 0.301 197 T C 0.077 174.900 174.700 0.206 0.000 1.012 197 T CA 0.460 62.711 62.100 0.252 0.000 1.151 197 T CB 0.390 69.347 68.868 0.148 0.000 0.946 197 T HN 0.063 nan 8.240 nan 0.000 0.542 198 L N 5.904 127.239 121.223 0.186 0.000 2.333 198 L HA 0.545 4.879 4.340 -0.010 0.000 0.269 198 L C -2.157 174.702 176.870 -0.019 0.000 1.010 198 L CA -2.607 52.259 54.840 0.044 0.000 0.818 198 L CB 2.268 44.274 42.059 -0.089 0.000 1.306 198 L HN 0.395 nan 8.230 nan 0.000 0.430 199 P HA 0.278 nan 4.420 nan 0.000 0.290 199 P C -1.143 176.061 177.300 -0.160 0.000 1.276 199 P CA -0.375 62.672 63.100 -0.089 0.000 0.808 199 P CB 1.947 33.611 31.700 -0.059 0.000 0.966 200 V N 4.210 123.972 119.914 -0.253 0.000 2.540 200 V HA 0.336 4.450 4.120 -0.010 0.000 0.302 200 V C 0.126 175.914 176.094 -0.510 0.000 1.035 200 V CA -0.596 61.529 62.300 -0.293 0.000 0.873 200 V CB 1.421 33.124 31.823 -0.199 0.000 0.992 200 V HN 0.598 nan 8.190 nan 0.000 0.428 201 H N 4.171 123.002 119.070 -0.398 0.000 2.459 201 H HA 0.600 5.150 4.556 -0.010 0.000 0.332 201 H C -1.379 173.633 175.328 -0.527 0.000 1.094 201 H CA -0.188 55.569 56.048 -0.486 0.000 1.224 201 H CB 1.812 31.064 29.762 -0.850 0.000 1.449 201 H HN 0.472 nan 8.280 nan 0.000 0.484 202 F N 1.172 121.156 119.950 0.057 0.000 2.576 202 F HA 0.230 4.751 4.527 -0.010 0.000 0.313 202 F C -0.196 175.724 175.800 0.200 0.000 1.078 202 F CA -0.526 57.519 58.000 0.075 0.000 0.921 202 F CB 0.969 39.931 39.000 -0.063 0.000 1.232 202 F HN 0.568 nan 8.300 nan 0.000 0.459 203 Y N 0.240 120.804 120.300 0.440 0.000 2.904 203 Y HA -0.015 4.529 4.550 -0.010 0.000 0.466 203 Y C 1.510 177.676 175.900 0.443 0.000 1.202 203 Y CA 0.656 58.955 58.100 0.332 0.000 2.491 203 Y CB -1.908 36.682 38.460 0.217 0.000 1.237 203 Y HN 1.252 nan 8.280 nan 0.000 0.633 204 G N 0.900 109.980 108.800 0.467 0.000 2.528 204 G HA2 0.068 4.022 3.960 -0.010 0.000 0.262 204 G HA3 0.068 4.022 3.960 -0.010 0.000 0.262 204 G C -0.334 174.782 174.900 0.361 0.000 1.200 204 G CA 1.758 47.049 45.100 0.319 0.000 0.951 204 G HN 1.469 nan 8.290 nan 0.000 0.566 205 R N -2.855 117.887 120.500 0.403 0.000 2.741 205 R HA 0.644 4.978 4.340 -0.010 0.000 0.276 205 R C -1.766 174.693 176.300 0.264 0.000 1.028 205 R CA -0.864 55.402 56.100 0.276 0.000 0.865 205 R CB 1.012 31.407 30.300 0.158 0.000 1.268 205 R HN 1.050 nan 8.270 nan 0.000 0.475 206 V N 0.741 120.713 119.914 0.096 0.000 2.495 206 V HA 0.402 4.516 4.120 -0.010 0.000 0.298 206 V C -0.553 175.456 176.094 -0.141 0.000 1.031 206 V CA -0.654 61.620 62.300 -0.043 0.000 0.871 206 V CB 1.659 33.386 31.823 -0.159 0.000 0.988 206 V HN 0.693 nan 8.190 nan 0.000 0.432 207 E N 3.370 123.452 120.200 -0.197 0.000 2.114 207 E HA 0.365 4.709 4.350 -0.010 0.000 0.266 207 E C -0.939 175.461 176.600 -0.333 0.000 0.896 207 E CA -0.679 55.611 56.400 -0.185 0.000 0.750 207 E CB 0.786 30.451 29.700 -0.060 0.000 1.121 207 E HN 0.665 nan 8.360 nan 0.000 0.413 208 H N 2.779 121.863 119.070 0.023 0.000 2.934 208 H HA 0.077 4.627 4.556 -0.010 0.000 0.273 208 H C 0.618 175.954 175.328 0.013 0.000 1.121 208 H CA 0.104 56.161 56.048 0.014 0.000 1.451 208 H CB 0.216 29.982 29.762 0.006 0.000 1.469 208 H HN 0.521 nan 8.280 nan 0.000 0.476 209 T N -1.387 113.210 114.554 0.072 0.000 2.876 209 T HA 0.129 4.473 4.350 -0.010 0.000 0.277 209 T C 1.548 176.276 174.700 0.047 0.000 0.997 209 T CA -0.508 61.622 62.100 0.049 0.000 0.966 209 T CB 1.453 70.334 68.868 0.023 0.000 1.312 209 T HN 0.347 nan 8.240 nan 0.000 0.598 210 S N -0.855 114.864 115.700 0.032 0.000 2.522 210 S HA -0.060 4.404 4.470 -0.010 0.000 0.227 210 S C 1.800 176.415 174.600 0.025 0.000 0.986 210 S CA 0.476 58.693 58.200 0.028 0.000 0.929 210 S CB -0.724 62.488 63.200 0.021 0.000 0.769 210 S HN 0.585 nan 8.310 nan 0.000 0.529 211 Q N 0.345 120.159 119.800 0.023 0.000 2.123 211 Q HA 0.195 4.529 4.340 -0.010 0.000 0.199 211 Q C 1.438 177.455 176.000 0.028 0.000 0.966 211 Q CA 1.265 57.080 55.803 0.020 0.000 0.845 211 Q CB -0.073 28.672 28.738 0.012 0.000 0.907 211 Q HN 0.690 nan 8.270 nan 0.000 0.439 212 G N -0.808 108.016 108.800 0.040 0.000 2.249 212 G HA2 0.180 4.134 3.960 -0.010 0.000 0.089 212 G HA3 0.180 4.134 3.960 -0.010 0.000 0.089 212 G C -1.423 173.520 174.900 0.072 0.000 1.206 212 G CA -0.249 44.890 45.100 0.064 0.000 1.190 212 G HN 0.437 nan 8.290 nan 0.000 0.454 213 A N -0.049 122.804 122.820 0.055 0.000 2.282 213 A HA 0.867 5.181 4.320 -0.010 0.000 0.319 213 A C -0.027 177.533 177.584 -0.040 0.000 1.121 213 A CA 0.258 52.268 52.037 -0.045 0.000 0.836 213 A CB 1.446 20.416 19.000 -0.051 0.000 1.146 213 A HN 1.031 nan 8.150 nan 0.000 0.494 214 K N 0.868 121.227 120.400 -0.067 0.000 2.616 214 K HA 0.220 4.534 4.320 -0.010 0.000 0.255 214 K C -2.344 174.290 176.600 0.056 0.000 0.995 214 K CA -0.354 55.929 56.287 -0.008 0.000 0.860 214 K CB 1.214 33.703 32.500 -0.019 0.000 1.264 214 K HN 0.720 nan 8.250 nan 0.000 0.451 215 W N 6.789 128.017 121.300 -0.120 0.000 2.283 215 W HA 0.394 5.048 4.660 -0.010 0.000 0.317 215 W C -0.865 175.614 176.519 -0.067 0.000 1.042 215 W CA -0.719 56.567 57.345 -0.098 0.000 1.348 215 W CB 0.213 29.610 29.460 -0.105 0.000 1.216 215 W HN 0.258 nan 8.180 nan 0.000 0.404 216 V N 2.881 122.858 119.914 0.105 0.000 3.177 216 V HA 0.599 4.713 4.120 -0.010 0.000 0.319 216 V C -0.047 176.033 176.094 -0.022 0.000 1.125 216 V CA -0.861 61.428 62.300 -0.019 0.000 1.029 216 V CB 1.750 33.584 31.823 0.017 0.000 1.119 216 V HN 0.496 nan 8.190 nan 0.000 0.452 217 D N 0.184 120.569 120.400 -0.025 0.000 2.686 217 D HA -0.148 4.486 4.640 -0.010 0.000 0.235 217 D C 0.544 176.844 176.300 -0.001 0.000 1.160 217 D CA 1.426 55.428 54.000 0.003 0.000 0.645 217 D CB -1.926 38.898 40.800 0.040 0.000 1.039 217 D HN 1.230 nan 8.370 nan 0.000 0.423 218 T N -2.920 111.587 114.554 -0.079 0.000 2.874 218 T HA 0.479 4.823 4.350 -0.010 0.000 0.281 218 T C 0.511 175.233 174.700 0.036 0.000 0.994 218 T CA -0.863 61.193 62.100 -0.074 0.000 1.015 218 T CB 1.887 70.541 68.868 -0.356 0.000 1.028 218 T HN 0.062 nan 8.240 nan 0.000 0.523 219 Q N 0.401 120.281 119.800 0.134 0.000 2.235 219 Q HA 0.571 4.905 4.340 -0.010 0.000 0.250 219 Q C -0.955 175.095 176.000 0.084 0.000 0.909 219 Q CA -0.868 55.026 55.803 0.151 0.000 0.910 219 Q CB 1.698 30.610 28.738 0.290 0.000 1.223 219 Q HN 0.481 nan 8.270 nan 0.000 0.432 220 V N 2.981 122.902 119.914 0.011 0.000 2.417 220 V HA 0.382 4.496 4.120 -0.010 0.000 0.291 220 V C -0.342 175.781 176.094 0.047 0.000 1.024 220 V CA -0.707 61.530 62.300 -0.105 0.000 0.861 220 V CB 1.633 33.327 31.823 -0.216 0.000 0.985 220 V HN 0.498 nan 8.190 nan 0.000 0.436 221 V N 5.927 125.917 119.914 0.126 0.000 2.513 221 V HA 0.506 4.620 4.120 -0.010 0.000 0.299 221 V C -0.105 176.095 176.094 0.176 0.000 1.035 221 V CA -0.698 61.717 62.300 0.191 0.000 0.889 221 V CB 1.875 33.893 31.823 0.324 0.000 0.988 221 V HN 0.634 nan 8.190 nan 0.000 0.440 222 L N 3.357 124.689 121.223 0.181 0.000 2.334 222 L HA 0.700 5.034 4.340 -0.010 0.000 0.277 222 L C 0.540 177.635 176.870 0.375 0.000 1.075 222 L CA -0.435 54.520 54.840 0.192 0.000 0.804 222 L CB 1.339 43.488 42.059 0.151 0.000 1.174 222 L HN 0.765 nan 8.230 nan 0.000 0.438 223 A N 4.420 127.410 122.820 0.283 0.000 2.341 223 A HA 0.535 4.849 4.320 -0.010 0.000 0.326 223 A C -0.349 177.560 177.584 0.542 0.000 1.402 223 A CA -0.469 51.752 52.037 0.306 0.000 0.957 223 A CB 0.433 19.102 19.000 -0.550 0.000 1.151 223 A HN 0.663 nan 8.150 nan 0.000 0.533 224 M N 6.332 126.275 119.600 0.571 0.000 2.084 224 M HA 0.459 4.934 4.480 -0.010 0.000 0.351 224 M C -2.591 173.942 176.300 0.388 0.000 1.240 224 M CA -2.428 53.135 55.300 0.438 0.000 1.083 224 M CB 1.015 33.822 32.600 0.346 0.000 1.593 224 M HN 0.294 nan 8.290 nan 0.000 0.463 225 P HA 0.227 nan 4.420 nan 0.000 0.284 225 P C -1.813 175.369 177.300 -0.198 0.000 1.253 225 P CA 0.020 62.945 63.100 -0.293 0.000 0.800 225 P CB 0.352 31.611 31.700 -0.734 0.000 0.961 226 Y N 0.689 120.905 120.300 -0.140 0.000 2.363 226 Y HA 0.265 4.809 4.550 -0.010 0.000 0.325 226 Y C 0.215 176.094 175.900 -0.035 0.000 0.984 226 Y CA -0.473 57.611 58.100 -0.026 0.000 1.248 226 Y CB 0.886 39.369 38.460 0.038 0.000 1.116 226 Y HN 0.218 nan 8.280 nan 0.000 0.470 227 D N 1.966 122.452 120.400 0.144 0.000 2.350 227 D HA 0.309 4.943 4.640 -0.010 0.000 0.249 227 D C -0.292 176.237 176.300 0.381 0.000 1.119 227 D CA 0.229 54.367 54.000 0.231 0.000 0.886 227 D CB 1.294 42.249 40.800 0.258 0.000 1.195 227 D HN 0.358 nan 8.370 nan 0.000 0.437 228 T N 3.189 117.872 114.554 0.214 0.000 2.841 228 T HA 0.443 4.788 4.350 -0.010 0.000 0.283 228 T C -2.548 171.929 174.700 -0.372 0.000 1.000 228 T CA -1.473 60.624 62.100 -0.006 0.000 0.977 228 T CB 2.086 70.956 68.868 0.003 0.000 0.979 228 T HN 0.183 nan 8.240 nan 0.000 0.446 229 P HA 0.252 nan 4.420 nan 0.000 0.271 229 P C -0.892 176.071 177.300 -0.563 0.000 1.216 229 P CA -0.322 61.997 63.100 -1.301 0.000 0.771 229 P CB 0.706 31.610 31.700 -1.328 0.000 0.864 230 V N 5.524 125.182 119.914 -0.427 0.000 2.250 230 V HA 0.228 4.342 4.120 -0.010 0.000 0.268 230 V C -2.021 173.963 176.094 -0.183 0.000 1.043 230 V CA -1.968 60.189 62.300 -0.238 0.000 0.814 230 V CB 1.026 32.756 31.823 -0.156 0.000 1.072 230 V HN 0.529 nan 8.190 nan 0.000 0.451 231 P HA 0.203 nan 4.420 nan 0.000 0.276 231 P C 0.535 177.801 177.300 -0.057 0.000 1.243 231 P CA 0.484 63.515 63.100 -0.115 0.000 0.768 231 P CB 1.310 32.941 31.700 -0.116 0.000 0.856 232 G N 2.794 111.579 108.800 -0.024 0.000 2.634 232 G HA2 0.094 4.048 3.960 -0.010 0.000 0.255 232 G HA3 0.094 4.048 3.960 -0.010 0.000 0.255 232 G C -1.122 173.816 174.900 0.064 0.000 1.205 232 G CA -0.338 44.776 45.100 0.023 0.000 0.884 232 G HN 0.447 nan 8.290 nan 0.000 0.549 233 Y N 1.612 121.886 120.300 -0.043 0.000 2.436 233 Y HA 0.216 4.760 4.550 -0.010 0.000 0.343 233 Y C 1.541 177.414 175.900 -0.046 0.000 1.008 233 Y CA -0.584 57.484 58.100 -0.052 0.000 1.241 233 Y CB 0.257 38.684 38.460 -0.056 0.000 1.153 233 Y HN 0.641 nan 8.280 nan 0.000 0.521 234 R N 2.954 123.158 120.500 -0.492 0.000 3.569 234 R HA -0.338 3.996 4.340 -0.010 0.000 0.260 234 R C -0.145 176.029 176.300 -0.209 0.000 1.078 234 R CA 1.388 57.214 56.100 -0.456 0.000 0.716 234 R CB -2.449 27.415 30.300 -0.727 0.000 1.088 234 R HN 0.943 nan 8.270 nan 0.000 0.473 235 N N -0.508 118.126 118.700 -0.110 0.000 2.187 235 N HA 0.038 4.772 4.740 -0.010 0.000 0.212 235 N C -0.112 175.373 175.510 -0.042 0.000 1.152 235 N CA -0.395 52.621 53.050 -0.056 0.000 0.872 235 N CB 0.443 38.922 38.487 -0.014 0.000 1.025 235 N HN 0.046 nan 8.380 nan 0.000 0.514 236 N N -0.500 118.171 118.700 -0.048 0.000 2.828 236 N HA -0.136 4.598 4.740 -0.010 0.000 0.248 236 N C -0.876 174.622 175.510 -0.020 0.000 1.044 236 N CA 0.648 53.679 53.050 -0.032 0.000 0.851 236 N CB -1.393 37.072 38.487 -0.036 0.000 1.136 236 N HN 0.182 nan 8.380 nan 0.000 0.572 237 V N 1.317 121.225 119.914 -0.010 0.000 2.488 237 V HA 0.394 4.508 4.120 -0.010 0.000 0.277 237 V C 0.702 176.793 176.094 -0.004 0.000 1.046 237 V CA -0.379 61.927 62.300 0.010 0.000 0.986 237 V CB 1.884 33.734 31.823 0.045 0.000 0.989 237 V HN 0.011 nan 8.190 nan 0.000 0.475 238 V N 4.950 124.869 119.914 0.009 0.000 2.488 238 V HA 0.439 4.553 4.120 -0.010 0.000 0.293 238 V C -0.236 175.900 176.094 0.069 0.000 1.027 238 V CA -0.960 61.320 62.300 -0.032 0.000 0.862 238 V CB 1.469 33.243 31.823 -0.082 0.000 1.008 238 V HN 0.821 nan 8.190 nan 0.000 0.428 239 N N 1.931 120.636 118.700 0.008 0.000 2.434 239 N HA 0.561 5.295 4.740 -0.010 0.000 0.266 239 N C -0.008 175.530 175.510 0.047 0.000 1.223 239 N CA -0.267 52.821 53.050 0.063 0.000 0.972 239 N CB 1.360 39.847 38.487 -0.001 0.000 1.207 239 N HN 0.620 nan 8.380 nan 0.000 0.525 240 T N 0.730 115.366 114.554 0.138 0.000 2.855 240 T HA 0.388 4.733 4.350 -0.010 0.000 0.281 240 T C -0.047 174.650 174.700 -0.004 0.000 1.007 240 T CA -0.540 61.671 62.100 0.185 0.000 1.009 240 T CB 1.161 70.260 68.868 0.385 0.000 0.983 240 T HN 0.279 nan 8.240 nan 0.000 0.455 241 M N 3.372 122.916 119.600 -0.094 0.000 2.129 241 M HA 0.470 4.944 4.480 -0.010 0.000 0.348 241 M C -0.405 175.762 176.300 -0.221 0.000 1.116 241 M CA -0.753 54.404 55.300 -0.238 0.000 1.022 241 M CB 0.787 33.172 32.600 -0.358 0.000 1.599 241 M HN 0.496 nan 8.290 nan 0.000 0.449 242 R N 6.114 126.377 120.500 -0.394 0.000 2.215 242 R HA 0.565 4.900 4.340 -0.010 0.000 0.336 242 R C -1.876 174.159 176.300 -0.441 0.000 0.996 242 R CA -0.403 55.414 56.100 -0.472 0.000 0.847 242 R CB 0.686 30.517 30.300 -0.782 0.000 1.127 242 R HN 0.805 nan 8.270 nan 0.000 0.465 243 L N 5.084 126.150 121.223 -0.262 0.000 2.317 243 L HA 0.503 4.837 4.340 -0.010 0.000 0.281 243 L C -0.790 176.016 176.870 -0.108 0.000 1.024 243 L CA -0.909 53.865 54.840 -0.109 0.000 0.810 243 L CB 1.356 43.440 42.059 0.042 0.000 1.240 243 L HN 0.578 nan 8.230 nan 0.000 0.427 244 W N 1.731 123.151 121.300 0.199 0.000 2.438 244 W HA 0.543 5.197 4.660 -0.010 0.000 0.324 244 W C 0.350 177.106 176.519 0.395 0.000 1.119 244 W CA -0.377 57.097 57.345 0.216 0.000 1.221 244 W CB 1.655 31.051 29.460 -0.106 0.000 1.253 244 W HN 0.323 nan 8.180 nan 0.000 0.555 245 S N 1.815 117.946 115.700 0.718 0.000 2.521 245 S HA 0.775 5.239 4.470 -0.010 0.000 0.295 245 S C -0.543 174.437 174.600 0.634 0.000 1.098 245 S CA -0.721 57.815 58.200 0.559 0.000 0.999 245 S CB 0.692 64.136 63.200 0.407 0.000 1.034 245 S HN 0.591 nan 8.310 nan 0.000 0.483 246 A N 4.881 127.906 122.820 0.343 0.000 2.409 246 A HA 0.653 4.967 4.320 -0.010 0.000 0.262 246 A C -0.207 177.477 177.584 0.168 0.000 1.113 246 A CA -0.167 51.953 52.037 0.138 0.000 0.790 246 A CB 0.224 18.986 19.000 -0.396 0.000 1.046 246 A HN 0.661 nan 8.150 nan 0.000 0.496 247 K N 1.032 121.550 120.400 0.196 0.000 2.422 247 K HA 0.622 4.936 4.320 -0.010 0.000 0.251 247 K C -0.361 176.304 176.600 0.109 0.000 0.933 247 K CA -0.454 55.919 56.287 0.143 0.000 0.798 247 K CB 2.148 34.750 32.500 0.170 0.000 1.238 247 K HN 0.808 nan 8.250 nan 0.000 0.428 248 A N 3.952 126.817 122.820 0.074 0.000 2.440 248 A HA 0.366 4.680 4.320 -0.010 0.000 0.251 248 A C -1.878 175.741 177.584 0.058 0.000 1.089 248 A CA -0.874 51.197 52.037 0.057 0.000 0.779 248 A CB -0.579 18.443 19.000 0.036 0.000 1.022 248 A HN 0.418 nan 8.150 nan 0.000 0.492 249 P HA -0.004 nan 4.420 nan 0.000 0.267 249 P C -0.507 176.816 177.300 0.038 0.000 1.201 249 P CA -0.055 63.069 63.100 0.040 0.000 0.775 249 P CB 0.295 32.011 31.700 0.027 0.000 0.854 262 Y N 1.717 122.020 120.300 0.004 0.000 2.081 262 Y HA -0.102 4.442 4.550 -0.010 0.000 0.280 262 Y C 2.682 178.586 175.900 0.006 0.000 1.163 262 Y CA 2.527 60.630 58.100 0.005 0.000 1.135 262 Y CB -0.146 38.317 38.460 0.005 0.000 0.970 262 Y HN 0.201 nan 8.280 nan 0.000 0.498 263 I N 0.469 120.825 120.570 -0.356 0.000 2.226 263 I HA -0.271 3.893 4.170 -0.010 0.000 0.245 263 I C 2.331 178.284 176.117 -0.274 0.000 1.100 263 I CA 1.771 62.847 61.300 -0.374 0.000 1.374 263 I CB -1.288 36.664 38.000 -0.080 0.000 1.057 263 I HN 0.365 nan 8.210 nan 0.000 0.413 264 Q N 1.323 121.024 119.800 -0.165 0.000 2.119 264 Q HA -0.039 4.296 4.340 -0.010 0.000 0.201 264 Q C 2.231 178.165 176.000 -0.111 0.000 0.972 264 Q CA 1.958 57.699 55.803 -0.103 0.000 0.847 264 Q CB -0.331 28.373 28.738 -0.057 0.000 0.903 264 Q HN 0.448 nan 8.270 nan 0.000 0.433 265 A N -0.699 122.038 122.820 -0.139 0.000 1.978 265 A HA -0.128 4.186 4.320 -0.010 0.000 0.220 265 A C 2.170 179.671 177.584 -0.139 0.000 1.170 265 A CA 1.673 53.637 52.037 -0.121 0.000 0.636 265 A CB -0.581 18.352 19.000 -0.111 0.000 0.810 265 A HN 0.267 nan 8.150 nan 0.000 0.448 266 V N -0.022 119.758 119.914 -0.225 0.000 2.346 266 V HA -0.174 3.940 4.120 -0.010 0.000 0.244 266 V C 2.495 178.531 176.094 -0.097 0.000 1.037 266 V CA 1.500 63.699 62.300 -0.168 0.000 1.029 266 V CB -0.760 30.914 31.823 -0.248 0.000 0.663 266 V HN 0.566 nan 8.190 nan 0.000 0.454 267 L N 0.162 121.324 121.223 -0.101 0.000 2.051 267 L HA -0.252 4.082 4.340 -0.010 0.000 0.214 267 L C 2.123 178.969 176.870 -0.041 0.000 1.076 267 L CA 1.748 56.553 54.840 -0.058 0.000 0.758 267 L CB -0.847 41.179 42.059 -0.055 0.000 0.890 267 L HN 0.359 nan 8.230 nan 0.000 0.433 268 D N -0.332 120.040 120.400 -0.047 0.000 2.378 268 D HA -0.080 4.554 4.640 -0.010 0.000 0.227 268 D C 2.144 178.430 176.300 -0.023 0.000 1.012 268 D CA 0.422 54.402 54.000 -0.032 0.000 0.905 268 D CB -0.081 40.698 40.800 -0.035 0.000 0.895 268 D HN 0.254 nan 8.370 nan 0.000 0.532 269 R N 0.552 121.038 120.500 -0.024 0.000 2.139 269 R HA -0.098 4.236 4.340 -0.010 0.000 0.243 269 R C 1.750 178.051 176.300 0.001 0.000 1.145 269 R CA 0.740 56.836 56.100 -0.007 0.000 0.976 269 R CB -0.138 30.159 30.300 -0.004 0.000 0.866 269 R HN 0.219 nan 8.270 nan 0.000 0.449 270 N N 0.985 119.685 118.700 0.000 0.000 2.094 270 N HA -0.200 4.534 4.740 -0.010 0.000 0.191 270 N C 1.866 177.376 175.510 -0.000 0.000 1.023 270 N CA 1.335 54.389 53.050 0.008 0.000 0.857 270 N CB -0.250 38.242 38.487 0.009 0.000 1.013 270 N HN 0.261 nan 8.380 nan 0.000 0.426 271 L N 0.827 122.046 121.223 -0.007 0.000 2.013 271 L HA -0.181 4.153 4.340 -0.010 0.000 0.212 271 L C 2.571 179.421 176.870 -0.032 0.000 1.073 271 L CA 1.506 56.338 54.840 -0.014 0.000 0.753 271 L CB -0.655 41.397 42.059 -0.011 0.000 0.890 271 L HN 0.126 nan 8.230 nan 0.000 0.432 272 A N -0.296 122.507 122.820 -0.027 0.000 1.930 272 A HA -0.173 4.141 4.320 -0.010 0.000 0.217 272 A C 2.141 179.675 177.584 -0.084 0.000 1.175 272 A CA 1.470 53.477 52.037 -0.051 0.000 0.627 272 A CB -0.350 18.647 19.000 -0.005 0.000 0.815 272 A HN 0.487 nan 8.150 nan 0.000 0.443 273 E N -0.207 119.970 120.200 -0.038 0.000 2.371 273 E HA -0.051 4.293 4.350 -0.010 0.000 0.194 273 E C 0.901 177.488 176.600 -0.022 0.000 1.012 273 E CA 0.070 56.454 56.400 -0.026 0.000 0.860 273 E CB -0.109 29.603 29.700 0.020 0.000 0.811 273 E HN 0.451 nan 8.360 nan 0.000 0.502 274 N N 1.073 119.763 118.700 -0.018 0.000 2.519 274 N HA -0.093 4.641 4.740 -0.010 0.000 0.186 274 N C 1.588 177.086 175.510 -0.019 0.000 1.062 274 N CA 0.583 53.638 53.050 0.008 0.000 0.910 274 N CB -0.046 38.445 38.487 0.007 0.000 0.958 274 N HN 0.276 nan 8.380 nan 0.000 0.445 275 I N 0.325 120.816 120.570 -0.130 0.000 2.208 275 I HA -0.245 3.919 4.170 -0.010 0.000 0.245 275 I C 1.699 177.755 176.117 -0.101 0.000 1.097 275 I CA 1.195 62.376 61.300 -0.199 0.000 1.363 275 I CB -0.295 37.420 38.000 -0.475 0.000 1.051 275 I HN 0.102 nan 8.210 nan 0.000 0.413 276 S N 0.004 115.637 115.700 -0.112 0.000 2.671 276 S HA 0.104 4.568 4.470 -0.010 0.000 0.220 276 S C 1.664 176.418 174.600 0.257 0.000 0.951 276 S CA -0.277 57.978 58.200 0.093 0.000 0.932 276 S CB -0.071 63.188 63.200 0.099 0.000 0.777 276 S HN 0.221 nan 8.310 nan 0.000 0.508 277 R N 1.349 121.986 120.500 0.228 0.000 2.081 277 R HA 0.166 4.501 4.340 -0.010 0.000 0.235 277 R C 0.396 176.957 176.300 0.436 0.000 1.131 277 R CA 1.223 57.504 56.100 0.301 0.000 0.960 277 R CB -0.324 30.117 30.300 0.235 0.000 0.856 277 R HN 0.401 nan 8.270 nan 0.000 0.436 278 V N 0.544 120.673 119.914 0.357 0.000 2.711 278 V HA 0.287 4.401 4.120 -0.010 0.000 0.304 278 V C -1.483 174.487 176.094 -0.207 0.000 1.097 278 V CA -1.385 61.007 62.300 0.152 0.000 0.906 278 V CB 1.604 33.478 31.823 0.085 0.000 1.015 278 V HN 0.149 nan 8.190 nan 0.000 0.427 279 L N 7.769 128.576 121.223 -0.693 0.000 2.615 279 L HA 0.260 4.594 4.340 -0.010 0.000 0.271 279 L C -0.581 176.119 176.870 -0.283 0.000 1.183 279 L CA 0.726 55.027 54.840 -0.898 0.000 0.933 279 L CB -0.228 41.315 42.059 -0.861 0.000 1.199 279 L HN 0.683 nan 8.230 nan 0.000 0.487 280 Y N 7.689 127.905 120.300 -0.139 0.000 2.745 280 Y HA 0.095 4.639 4.550 -0.010 0.000 0.335 280 Y C -1.203 174.695 175.900 -0.004 0.000 1.212 280 Y CA -0.781 57.306 58.100 -0.022 0.000 1.535 280 Y CB 0.335 38.809 38.460 0.022 0.000 1.220 280 Y HN 0.597 nan 8.280 nan 0.000 0.531 281 P HA 0.020 nan 4.420 nan 0.000 0.253 281 P C -0.781 176.668 177.300 0.248 0.000 1.459 281 P CA 0.118 63.335 63.100 0.195 0.000 0.908 281 P CB 0.178 32.080 31.700 0.337 0.000 1.470 282 N N 1.728 120.583 118.700 0.259 0.000 2.521 282 N HA 0.110 4.844 4.740 -0.010 0.000 0.236 282 N C -0.413 175.261 175.510 0.275 0.000 1.067 282 N CA 0.183 53.413 53.050 0.299 0.000 0.939 282 N CB 0.165 38.854 38.487 0.337 0.000 1.201 282 N HN 0.197 nan 8.380 nan 0.000 0.511 283 D N 0.786 121.354 120.400 0.281 0.000 2.210 283 D HA 0.224 4.858 4.640 -0.010 0.000 0.249 283 D C -0.119 176.389 176.300 0.346 0.000 1.062 283 D CA -0.269 53.890 54.000 0.265 0.000 0.891 283 D CB 0.440 41.384 40.800 0.240 0.000 1.186 283 D HN 0.365 nan 8.370 nan 0.000 0.432 284 N N 1.276 120.156 118.700 0.300 0.000 2.721 284 N HA -0.252 4.483 4.740 -0.010 0.000 0.249 284 N C -1.407 174.352 175.510 0.415 0.000 1.072 284 N CA 0.741 53.975 53.050 0.306 0.000 0.710 284 N CB -0.922 37.741 38.487 0.293 0.000 0.993 284 N HN 0.341 nan 8.380 nan 0.000 0.547 285 F N 0.261 120.318 119.950 0.178 0.000 2.683 285 F HA 0.347 4.868 4.527 -0.010 0.000 0.333 285 F C -1.654 174.223 175.800 0.127 0.000 1.160 285 F CA -1.264 56.818 58.000 0.136 0.000 1.099 285 F CB 0.685 39.735 39.000 0.084 0.000 1.344 285 F HN -0.060 nan 8.300 nan 0.000 0.534 286 F N 6.540 125.835 119.950 -1.092 0.000 2.390 286 F HA 0.434 4.955 4.527 -0.010 0.000 0.361 286 F C -0.210 174.914 175.800 -1.128 0.000 1.124 286 F CA -0.178 57.320 58.000 -0.837 0.000 1.149 286 F CB 0.529 39.165 39.000 -0.606 0.000 1.160 286 F HN 0.573 nan 8.300 nan 0.000 0.501 287 E N 4.045 123.619 120.200 -1.044 0.000 2.158 287 E HA 0.451 4.795 4.350 -0.010 0.000 0.271 287 E C -0.222 175.673 176.600 -1.175 0.000 0.911 287 E CA -0.789 55.135 56.400 -0.794 0.000 0.767 287 E CB 1.301 30.875 29.700 -0.211 0.000 1.120 287 E HN 0.880 nan 8.360 nan 0.000 0.405 288 G N 5.294 113.423 108.800 -1.119 0.000 4.126 288 G HA2 0.077 4.032 3.960 -0.010 0.000 0.282 288 G HA3 0.077 4.032 3.960 -0.010 0.000 0.282 288 G C -0.185 174.612 174.900 -0.171 0.000 1.221 288 G CA -0.454 43.977 45.100 -1.114 0.000 1.527 288 G HN 0.268 nan 8.290 nan 0.000 0.612 289 K N 0.851 121.192 120.400 -0.098 0.000 2.379 289 K HA 0.064 4.378 4.320 -0.010 0.000 0.284 289 K C 1.032 177.752 176.600 0.200 0.000 1.044 289 K CA -0.293 56.035 56.287 0.068 0.000 0.974 289 K CB 2.091 34.589 32.500 -0.003 0.000 0.962 289 K HN 0.569 nan 8.250 nan 0.000 0.474 290 E N 2.209 122.510 120.200 0.169 0.000 2.147 290 E HA -0.258 4.086 4.350 -0.010 0.000 0.199 290 E C 1.573 178.197 176.600 0.040 0.000 1.005 290 E CA 1.138 57.588 56.400 0.085 0.000 0.810 290 E CB 0.103 29.859 29.700 0.093 0.000 0.736 290 E HN 0.473 nan 8.360 nan 0.000 0.460 291 L N 1.342 122.628 121.223 0.106 0.000 2.012 291 L HA -0.202 4.132 4.340 -0.010 0.000 0.210 291 L C 2.426 179.389 176.870 0.155 0.000 1.073 291 L CA 2.130 57.051 54.840 0.135 0.000 0.748 291 L CB -0.820 41.378 42.059 0.231 0.000 0.891 291 L HN 0.034 nan 8.230 nan 0.000 0.431 292 R N -0.259 120.289 120.500 0.080 0.000 2.112 292 R HA -0.241 4.093 4.340 -0.010 0.000 0.242 292 R C 2.215 178.560 176.300 0.075 0.000 1.137 292 R CA 2.438 58.512 56.100 -0.043 0.000 0.944 292 R CB -1.362 28.696 30.300 -0.402 0.000 0.857 292 R HN 0.458 nan 8.270 nan 0.000 0.435 293 L N 0.915 122.097 121.223 -0.068 0.000 2.079 293 L HA -0.141 4.193 4.340 -0.010 0.000 0.210 293 L C 1.747 178.564 176.870 -0.088 0.000 1.081 293 L CA 1.947 56.553 54.840 -0.391 0.000 0.752 293 L CB -0.419 41.095 42.059 -0.909 0.000 0.896 293 L HN 0.229 nan 8.230 nan 0.000 0.433 294 K N -0.998 119.387 120.400 -0.026 0.000 2.026 294 K HA -0.208 4.106 4.320 -0.010 0.000 0.208 294 K C 2.019 178.742 176.600 0.205 0.000 1.048 294 K CA 1.802 58.123 56.287 0.057 0.000 0.929 294 K CB -0.331 32.007 32.500 -0.271 0.000 0.713 294 K HN 0.477 nan 8.250 nan 0.000 0.439 295 Q N 1.044 120.939 119.800 0.159 0.000 2.047 295 Q HA -0.266 4.068 4.340 -0.010 0.000 0.211 295 Q C 2.139 178.314 176.000 0.293 0.000 1.005 295 Q CA 1.932 57.888 55.803 0.255 0.000 0.866 295 Q CB -0.288 28.633 28.738 0.305 0.000 0.938 295 Q HN 0.414 nan 8.270 nan 0.000 0.414 296 E N -0.234 120.098 120.200 0.220 0.000 2.058 296 E HA -0.235 4.109 4.350 -0.010 0.000 0.194 296 E C 1.877 178.578 176.600 0.168 0.000 0.997 296 E CA 1.264 57.777 56.400 0.188 0.000 0.801 296 E CB -0.274 29.517 29.700 0.152 0.000 0.746 296 E HN 0.338 nan 8.360 nan 0.000 0.450 297 Y N 0.561 120.902 120.300 0.068 0.000 2.181 297 Y HA -0.261 4.283 4.550 -0.010 0.000 0.288 297 Y C 2.038 178.000 175.900 0.103 0.000 1.146 297 Y CA 1.238 59.353 58.100 0.025 0.000 1.164 297 Y CB -0.461 37.997 38.460 -0.003 0.000 0.982 297 Y HN 0.019 nan 8.280 nan 0.000 0.515 298 F N -0.152 119.804 119.950 0.009 0.000 2.043 298 F HA -0.283 4.238 4.527 -0.010 0.000 0.297 298 F C 2.264 177.903 175.800 -0.268 0.000 1.121 298 F CA 2.283 60.252 58.000 -0.052 0.000 1.199 298 F CB -0.982 38.109 39.000 0.152 0.000 0.968 298 F HN -0.141 nan 8.300 nan 0.000 0.478 299 V N -0.546 119.339 119.914 -0.048 0.000 2.407 299 V HA -0.266 3.848 4.120 -0.010 0.000 0.248 299 V C 2.397 178.318 176.094 -0.288 0.000 1.055 299 V CA 1.478 63.686 62.300 -0.153 0.000 1.049 299 V CB -0.839 31.094 31.823 0.183 0.000 0.662 299 V HN 0.303 nan 8.190 nan 0.000 0.455 300 V N 0.232 119.999 119.914 -0.245 0.000 2.270 300 V HA -0.221 3.893 4.120 -0.010 0.000 0.245 300 V C 2.696 178.537 176.094 -0.423 0.000 1.043 300 V CA 2.098 64.240 62.300 -0.263 0.000 1.014 300 V CB -0.997 30.730 31.823 -0.161 0.000 0.645 300 V HN 0.548 nan 8.190 nan 0.000 0.447 301 A N -0.056 122.360 122.820 -0.672 0.000 1.855 301 A HA -0.104 4.210 4.320 -0.010 0.000 0.215 301 A C 2.452 179.673 177.584 -0.606 0.000 1.191 301 A CA 2.136 53.778 52.037 -0.659 0.000 0.613 301 A CB -1.028 17.326 19.000 -1.077 0.000 0.829 301 A HN 0.568 nan 8.150 nan 0.000 0.442 302 A N -0.883 121.410 122.820 -0.877 0.000 1.873 302 A HA -0.187 4.127 4.320 -0.010 0.000 0.218 302 A C 2.334 179.439 177.584 -0.798 0.000 1.193 302 A CA 2.676 54.007 52.037 -1.177 0.000 0.629 302 A CB -1.544 16.188 19.000 -2.113 0.000 0.826 302 A HN 0.455 nan 8.150 nan 0.000 0.447 303 T N 0.033 114.215 114.554 -0.619 0.000 2.652 303 T HA -0.141 4.203 4.350 -0.010 0.000 0.267 303 T C 1.786 176.181 174.700 -0.509 0.000 1.039 303 T CA 1.685 63.503 62.100 -0.471 0.000 1.153 303 T CB -0.398 68.180 68.868 -0.484 0.000 0.863 303 T HN 0.234 nan 8.240 nan 0.000 0.428 304 L N 1.014 122.004 121.223 -0.388 0.000 2.042 304 L HA -0.110 4.224 4.340 -0.010 0.000 0.210 304 L C 2.715 179.477 176.870 -0.180 0.000 1.076 304 L CA 1.675 56.353 54.840 -0.269 0.000 0.749 304 L CB -0.709 41.231 42.059 -0.197 0.000 0.893 304 L HN 0.305 nan 8.230 nan 0.000 0.432 305 Q N -1.085 118.606 119.800 -0.181 0.000 2.084 305 Q HA -0.248 4.086 4.340 -0.010 0.000 0.202 305 Q C 1.886 177.882 176.000 -0.008 0.000 0.978 305 Q CA 1.600 57.354 55.803 -0.082 0.000 0.844 305 Q CB -0.195 28.483 28.738 -0.100 0.000 0.898 305 Q HN 0.438 nan 8.270 nan 0.000 0.426 306 D N 0.556 120.945 120.400 -0.018 0.000 2.149 306 D HA -0.135 4.499 4.640 -0.010 0.000 0.198 306 D C 1.625 177.917 176.300 -0.013 0.000 0.990 306 D CA 0.957 55.007 54.000 0.083 0.000 0.839 306 D CB -0.045 40.922 40.800 0.279 0.000 0.948 306 D HN 0.195 nan 8.370 nan 0.000 0.460 307 I N 0.252 120.713 120.570 -0.182 0.000 2.202 307 I HA -0.216 3.948 4.170 -0.010 0.000 0.242 307 I C 2.231 178.390 176.117 0.071 0.000 1.091 307 I CA 0.563 61.715 61.300 -0.247 0.000 1.368 307 I CB -0.097 37.573 38.000 -0.550 0.000 1.058 307 I HN 0.076 nan 8.210 nan 0.000 0.410 308 I N 0.450 121.111 120.570 0.152 0.000 2.315 308 I HA -0.248 3.916 4.170 -0.010 0.000 0.248 308 I C 2.669 178.993 176.117 0.345 0.000 1.117 308 I CA 1.192 62.702 61.300 0.350 0.000 1.404 308 I CB -0.986 37.141 38.000 0.211 0.000 1.071 308 I HN 0.333 nan 8.210 nan 0.000 0.419 309 R N 1.483 122.111 120.500 0.213 0.000 2.082 309 R HA -0.169 4.165 4.340 -0.010 0.000 0.234 309 R C 2.488 178.920 176.300 0.219 0.000 1.136 309 R CA 1.445 57.669 56.100 0.207 0.000 0.935 309 R CB -0.185 30.225 30.300 0.184 0.000 0.842 309 R HN 0.230 nan 8.270 nan 0.000 0.430 310 R N -0.375 120.238 120.500 0.188 0.000 2.134 310 R HA -0.227 4.107 4.340 -0.010 0.000 0.248 310 R C 2.267 178.724 176.300 0.263 0.000 1.143 310 R CA 2.094 58.314 56.100 0.200 0.000 0.957 310 R CB -0.708 29.699 30.300 0.179 0.000 0.867 310 R HN 0.314 nan 8.270 nan 0.000 0.441 311 F N 1.953 121.996 119.950 0.155 0.000 2.161 311 F HA -0.182 4.339 4.527 -0.010 0.000 0.300 311 F C 1.977 177.873 175.800 0.159 0.000 1.089 311 F CA 1.545 59.644 58.000 0.165 0.000 1.282 311 F CB -0.056 39.094 39.000 0.250 0.000 1.010 311 F HN -0.164 nan 8.300 nan 0.000 0.485 312 K N -0.351 120.155 120.400 0.177 0.000 2.211 312 K HA -0.044 4.270 4.320 -0.010 0.000 0.203 312 K C 1.479 178.093 176.600 0.023 0.000 1.050 312 K CA 1.269 57.568 56.287 0.020 0.000 0.945 312 K CB -0.191 32.394 32.500 0.143 0.000 0.732 312 K HN 0.160 nan 8.250 nan 0.000 0.451 313 S N 0.203 115.959 115.700 0.094 0.000 2.622 313 S HA 0.032 4.496 4.470 -0.010 0.000 0.236 313 S C 1.097 175.755 174.600 0.097 0.000 0.956 313 S CA -0.016 58.255 58.200 0.119 0.000 0.971 313 S CB 0.340 63.655 63.200 0.192 0.000 0.782 313 S HN 0.306 nan 8.310 nan 0.000 0.468 314 S N 1.167 116.866 115.700 -0.001 0.000 2.826 314 S HA 0.338 4.802 4.470 -0.010 0.000 0.193 314 S C 1.105 175.589 174.600 -0.193 0.000 0.838 314 S CA -0.205 57.945 58.200 -0.084 0.000 0.844 314 S CB 0.111 63.276 63.200 -0.058 0.000 0.816 314 S HN 0.253 nan 8.310 nan 0.000 0.626 315 K N 0.049 120.272 120.400 -0.294 0.000 3.283 315 K HA 0.413 4.727 4.320 -0.010 0.000 0.249 315 K C -0.459 175.910 176.600 -0.384 0.000 1.008 315 K CA -0.471 55.491 56.287 -0.542 0.000 1.687 315 K CB -0.340 31.554 32.500 -1.010 0.000 2.788 315 K HN 0.310 nan 8.250 nan 0.000 0.849 324 T N 0.782 115.284 114.554 -0.087 0.000 2.624 324 T HA -0.252 4.093 4.350 -0.010 0.000 0.268 324 T C 1.574 176.122 174.700 -0.253 0.000 1.041 324 T CA 1.920 63.959 62.100 -0.101 0.000 1.159 324 T CB -0.726 68.114 68.868 -0.046 0.000 0.863 324 T HN 0.448 nan 8.240 nan 0.000 0.434 325 N N 2.507 120.834 118.700 -0.622 0.000 2.003 325 N HA -0.151 4.583 4.740 -0.010 0.000 0.198 325 N C 1.550 176.913 175.510 -0.245 0.000 1.073 325 N CA 2.012 54.464 53.050 -0.998 0.000 0.875 325 N CB -1.416 36.414 38.487 -1.095 0.000 1.074 325 N HN 0.507 nan 8.380 nan 0.000 0.435 326 F N 1.178 121.168 119.950 0.067 0.000 2.269 326 F HA -0.036 4.485 4.527 -0.010 0.000 0.301 326 F C 2.031 177.874 175.800 0.072 0.000 1.082 326 F CA 0.996 59.038 58.000 0.069 0.000 1.360 326 F CB -0.552 38.387 39.000 -0.102 0.000 1.041 326 F HN -0.010 nan 8.300 nan 0.000 0.512 327 D N 0.326 120.837 120.400 0.186 0.000 2.149 327 D HA -0.216 4.418 4.640 -0.010 0.000 0.194 327 D C 2.212 178.620 176.300 0.180 0.000 1.001 327 D CA 1.592 55.682 54.000 0.150 0.000 0.849 327 D CB -0.427 40.440 40.800 0.112 0.000 0.939 327 D HN 0.264 nan 8.370 nan 0.000 0.449 328 A N -0.782 122.181 122.820 0.239 0.000 2.208 328 A HA 0.038 4.352 4.320 -0.010 0.000 0.209 328 A C 1.795 179.559 177.584 0.300 0.000 1.161 328 A CA -0.101 52.108 52.037 0.288 0.000 0.782 328 A CB -0.766 18.499 19.000 0.442 0.000 0.816 328 A HN 0.231 nan 8.150 nan 0.000 0.477 329 F N 2.205 122.183 119.950 0.047 0.000 2.087 329 F HA -0.167 4.354 4.527 -0.010 0.000 0.299 329 F C -0.730 175.004 175.800 -0.110 0.000 1.100 329 F CA 2.589 60.413 58.000 -0.294 0.000 1.226 329 F CB -0.621 38.121 39.000 -0.429 0.000 0.983 329 F HN 0.212 nan 8.300 nan 0.000 0.479 330 P HA -0.099 nan 4.420 nan 0.000 0.225 330 P C 0.688 177.975 177.300 -0.022 0.000 1.148 330 P CA 1.417 64.514 63.100 -0.005 0.000 0.779 330 P CB -0.162 31.561 31.700 0.038 0.000 0.780 331 D N -0.543 119.872 120.400 0.026 0.000 2.269 331 D HA -0.065 4.570 4.640 -0.010 0.000 0.208 331 D C 1.646 177.958 176.300 0.020 0.000 0.963 331 D CA 0.958 54.979 54.000 0.036 0.000 0.864 331 D CB -0.002 40.848 40.800 0.083 0.000 0.936 331 D HN 0.155 nan 8.370 nan 0.000 0.505 332 K N -0.152 120.245 120.400 -0.004 0.000 2.391 332 K HA 0.202 4.516 4.320 -0.010 0.000 0.197 332 K C -0.108 176.431 176.600 -0.103 0.000 1.087 332 K CA 0.136 56.432 56.287 0.016 0.000 1.012 332 K CB 2.110 34.762 32.500 0.252 0.000 0.925 332 K HN -0.048 nan 8.250 nan 0.000 0.547 333 V N 1.239 120.991 119.914 -0.269 0.000 2.577 333 V HA 0.551 4.665 4.120 -0.010 0.000 0.303 333 V C -0.956 175.081 176.094 -0.096 0.000 1.042 333 V CA -1.248 60.904 62.300 -0.246 0.000 0.872 333 V CB 1.692 33.077 31.823 -0.731 0.000 0.998 333 V HN 0.111 nan 8.190 nan 0.000 0.423 334 A N 5.915 128.725 122.820 -0.016 0.000 2.331 334 A HA 0.921 5.236 4.320 -0.010 0.000 0.320 334 A C -0.798 176.837 177.584 0.086 0.000 1.138 334 A CA -0.477 51.580 52.037 0.033 0.000 0.790 334 A CB 0.806 19.792 19.000 -0.024 0.000 1.206 334 A HN 0.789 nan 8.150 nan 0.000 0.470 335 I N 2.190 122.838 120.570 0.130 0.000 2.437 335 I HA 0.215 4.379 4.170 -0.010 0.000 0.279 335 I C -0.287 175.909 176.117 0.132 0.000 1.028 335 I CA -0.474 60.901 61.300 0.125 0.000 1.142 335 I CB 1.703 39.751 38.000 0.079 0.000 1.266 335 I HN 0.691 nan 8.210 nan 0.000 0.461 336 Q N 6.727 126.596 119.800 0.114 0.000 2.314 336 Q HA 0.390 4.724 4.340 -0.010 0.000 0.257 336 Q C -0.953 175.027 176.000 -0.033 0.000 0.975 336 Q CA -0.122 55.777 55.803 0.160 0.000 0.933 336 Q CB 0.874 29.824 28.738 0.353 0.000 1.195 336 Q HN 0.582 nan 8.270 nan 0.000 0.426 337 L N 3.928 125.192 121.223 0.068 0.000 2.363 337 L HA 0.271 4.605 4.340 -0.010 0.000 0.286 337 L C 0.250 177.189 176.870 0.114 0.000 1.106 337 L CA -0.586 54.300 54.840 0.076 0.000 0.859 337 L CB -0.064 42.085 42.059 0.150 0.000 1.223 337 L HN 0.543 nan 8.230 nan 0.000 0.446 338 N N 4.643 123.341 118.700 -0.002 0.000 2.406 338 N HA 0.005 4.739 4.740 -0.010 0.000 0.269 338 N C 0.021 175.620 175.510 0.150 0.000 1.210 338 N CA 0.594 53.725 53.050 0.135 0.000 0.966 338 N CB -0.104 38.394 38.487 0.018 0.000 1.293 338 N HN 0.611 nan 8.380 nan 0.000 0.491 339 D N 0.108 120.682 120.400 0.290 0.000 4.658 339 D HA -0.219 4.415 4.640 -0.010 0.000 0.304 339 D C 0.250 176.682 176.300 0.220 0.000 2.363 339 D CA 1.568 55.681 54.000 0.189 0.000 1.179 339 D CB -0.421 40.188 40.800 -0.318 0.000 1.091 339 D HN 0.557 nan 8.370 nan 0.000 1.274 340 T N -2.641 111.970 114.554 0.094 0.000 3.086 340 T HA 0.129 4.473 4.350 -0.010 0.000 0.250 340 T C 1.582 176.398 174.700 0.193 0.000 1.074 340 T CA 1.147 63.284 62.100 0.063 0.000 0.988 340 T CB -0.420 68.448 68.868 -0.000 0.000 0.988 340 T HN 0.500 nan 8.240 nan 0.000 0.530 341 H N 2.698 121.866 119.070 0.164 0.000 2.353 341 H HA -0.021 4.529 4.556 -0.010 0.000 0.298 341 H C -0.761 174.659 175.328 0.153 0.000 1.103 341 H CA 1.128 57.283 56.048 0.180 0.000 1.293 341 H CB -0.888 28.976 29.762 0.171 0.000 1.372 341 H HN 0.432 nan 8.280 nan 0.000 0.501 342 P HA 0.092 nan 4.420 nan 0.000 0.266 342 P C 0.769 178.115 177.300 0.077 0.000 1.561 342 P CA 0.389 63.568 63.100 0.132 0.000 1.089 342 P CB 0.464 32.228 31.700 0.106 0.000 1.534 343 S N 0.036 115.776 115.700 0.066 0.000 2.440 343 S HA -0.148 4.317 4.470 -0.010 0.000 0.238 343 S C 1.851 176.453 174.600 0.004 0.000 1.010 343 S CA 0.785 58.984 58.200 -0.001 0.000 0.972 343 S CB -1.609 61.566 63.200 -0.042 0.000 0.774 343 S HN 0.119 nan 8.310 nan 0.000 0.501 344 L N 1.258 122.494 121.223 0.022 0.000 2.351 344 L HA -0.154 4.180 4.340 -0.010 0.000 0.220 344 L C 3.023 179.923 176.870 0.050 0.000 1.127 344 L CA 0.797 55.651 54.840 0.024 0.000 0.786 344 L CB -1.019 41.051 42.059 0.018 0.000 0.914 344 L HN 0.477 nan 8.230 nan 0.000 0.443 345 A N 0.883 123.714 122.820 0.018 0.000 1.915 345 A HA -0.283 4.031 4.320 -0.010 0.000 0.220 345 A C 2.163 179.741 177.584 -0.010 0.000 1.198 345 A CA 2.263 54.294 52.037 -0.010 0.000 0.647 345 A CB -0.724 18.264 19.000 -0.021 0.000 0.825 345 A HN 0.401 nan 8.150 nan 0.000 0.456 346 I N 0.294 120.863 120.570 -0.002 0.000 2.076 346 I HA -0.184 3.980 4.170 -0.010 0.000 0.237 346 I C -0.265 175.880 176.117 0.048 0.000 1.059 346 I CA 1.952 63.256 61.300 0.006 0.000 1.317 346 I CB -1.152 36.865 38.000 0.028 0.000 1.037 346 I HN 0.289 nan 8.210 nan 0.000 0.398 347 P HA -0.161 nan 4.420 nan 0.000 0.221 347 P C 1.312 178.640 177.300 0.048 0.000 1.150 347 P CA 1.505 64.643 63.100 0.064 0.000 0.800 347 P CB 0.068 31.819 31.700 0.084 0.000 0.787 348 E N 0.405 120.693 120.200 0.146 0.000 2.047 348 E HA -0.150 4.194 4.350 -0.010 0.000 0.191 348 E C 1.987 178.568 176.600 -0.032 0.000 0.987 348 E CA 0.682 57.173 56.400 0.150 0.000 0.799 348 E CB -1.334 28.496 29.700 0.217 0.000 0.752 348 E HN -0.028 nan 8.360 nan 0.000 0.449 349 L N 0.062 121.239 121.223 -0.077 0.000 1.990 349 L HA -0.206 4.128 4.340 -0.010 0.000 0.213 349 L C 2.241 178.960 176.870 -0.251 0.000 1.072 349 L CA 2.017 56.750 54.840 -0.178 0.000 0.755 349 L CB -0.646 41.315 42.059 -0.164 0.000 0.889 349 L HN 0.261 nan 8.230 nan 0.000 0.432 350 M N -0.987 118.485 119.600 -0.214 0.000 2.108 350 M HA -0.234 4.241 4.480 -0.010 0.000 0.261 350 M C 2.409 178.531 176.300 -0.296 0.000 1.066 350 M CA 1.576 56.697 55.300 -0.298 0.000 1.107 350 M CB -1.214 31.205 32.600 -0.302 0.000 1.356 350 M HN 0.345 nan 8.290 nan 0.000 0.406 351 R N -0.044 120.316 120.500 -0.233 0.000 2.122 351 R HA -0.178 4.156 4.340 -0.010 0.000 0.236 351 R C 2.110 178.301 176.300 -0.182 0.000 1.129 351 R CA 2.310 58.275 56.100 -0.225 0.000 0.925 351 R CB -0.475 29.655 30.300 -0.283 0.000 0.850 351 R HN 0.201 nan 8.270 nan 0.000 0.431 352 V N 1.577 121.388 119.914 -0.173 0.000 2.231 352 V HA -0.327 3.787 4.120 -0.010 0.000 0.250 352 V C 2.494 178.418 176.094 -0.283 0.000 1.058 352 V CA 2.262 64.443 62.300 -0.198 0.000 1.022 352 V CB -0.576 31.119 31.823 -0.213 0.000 0.640 352 V HN 0.378 nan 8.190 nan 0.000 0.445 353 L N -0.766 120.222 121.223 -0.392 0.000 2.042 353 L HA -0.180 4.155 4.340 -0.010 0.000 0.210 353 L C 2.422 179.099 176.870 -0.323 0.000 1.076 353 L CA 1.318 55.863 54.840 -0.492 0.000 0.749 353 L CB -0.692 41.037 42.059 -0.551 0.000 0.893 353 L HN 0.205 nan 8.230 nan 0.000 0.432 354 V N -0.451 119.313 119.914 -0.250 0.000 2.273 354 V HA -0.212 3.902 4.120 -0.010 0.000 0.242 354 V C 2.061 178.099 176.094 -0.093 0.000 1.035 354 V CA 1.869 64.083 62.300 -0.144 0.000 1.013 354 V CB -0.310 31.438 31.823 -0.125 0.000 0.652 354 V HN 0.384 nan 8.190 nan 0.000 0.452 355 D N -0.215 120.125 120.400 -0.099 0.000 2.137 355 D HA -0.026 4.608 4.640 -0.010 0.000 0.202 355 D C 2.102 178.364 176.300 -0.062 0.000 0.970 355 D CA 1.162 55.126 54.000 -0.060 0.000 0.837 355 D CB -0.040 40.727 40.800 -0.055 0.000 0.981 355 D HN 0.308 nan 8.370 nan 0.000 0.475 356 L N 0.662 121.830 121.223 -0.092 0.000 2.121 356 L HA 0.021 4.355 4.340 -0.010 0.000 0.200 356 L C 2.016 178.841 176.870 -0.076 0.000 1.077 356 L CA 0.705 55.499 54.840 -0.076 0.000 0.766 356 L CB -0.316 41.694 42.059 -0.082 0.000 0.931 356 L HN -0.144 nan 8.230 nan 0.000 0.452 357 E N 0.531 120.649 120.200 -0.138 0.000 2.482 357 E HA -0.068 4.276 4.350 -0.010 0.000 0.196 357 E C 0.290 176.836 176.600 -0.089 0.000 1.047 357 E CA 0.041 56.362 56.400 -0.131 0.000 0.869 357 E CB 0.036 29.538 29.700 -0.328 0.000 0.836 357 E HN 0.260 nan 8.360 nan 0.000 0.520 358 R N -0.226 120.225 120.500 -0.083 0.000 3.863 358 R HA -0.190 4.144 4.340 -0.010 0.000 0.313 358 R C 0.210 176.486 176.300 -0.039 0.000 1.202 358 R CA 0.452 56.526 56.100 -0.042 0.000 0.852 358 R CB -2.906 27.387 30.300 -0.012 0.000 1.292 358 R HN 0.261 nan 8.270 nan 0.000 0.519 359 L N 2.233 123.406 121.223 -0.084 0.000 2.467 359 L HA 0.073 4.407 4.340 -0.010 0.000 0.270 359 L C 1.555 178.411 176.870 -0.023 0.000 1.205 359 L CA 0.133 54.938 54.840 -0.058 0.000 0.828 359 L CB 0.244 42.231 42.059 -0.121 0.000 1.101 359 L HN 0.164 nan 8.230 nan 0.000 0.479 360 D N 1.563 121.974 120.400 0.019 0.000 2.423 360 D HA -0.172 4.462 4.640 -0.010 0.000 0.238 360 D C 0.887 177.252 176.300 0.107 0.000 1.142 360 D CA -0.407 53.637 54.000 0.073 0.000 0.884 360 D CB 1.032 41.880 40.800 0.080 0.000 1.199 360 D HN 0.671 nan 8.370 nan 0.000 0.438 361 W N 3.251 124.553 121.300 0.003 0.000 2.318 361 W HA -0.231 4.423 4.660 -0.010 0.000 0.313 361 W C 1.069 177.633 176.519 0.074 0.000 1.221 361 W CA 1.830 59.185 57.345 0.017 0.000 1.266 361 W CB -0.265 29.186 29.460 -0.013 0.000 1.150 361 W HN 0.528 nan 8.180 nan 0.000 0.496 362 D N 0.270 120.875 120.400 0.342 0.000 2.097 362 D HA -0.185 4.449 4.640 -0.010 0.000 0.197 362 D C 1.921 178.324 176.300 0.171 0.000 0.984 362 D CA 1.926 56.100 54.000 0.290 0.000 0.826 362 D CB -0.455 40.493 40.800 0.247 0.000 0.973 362 D HN 0.034 nan 8.370 nan 0.000 0.460 363 K N 1.660 122.121 120.400 0.101 0.000 2.044 363 K HA -0.102 4.212 4.320 -0.010 0.000 0.210 363 K C 1.844 178.440 176.600 -0.008 0.000 1.049 363 K CA 1.787 58.105 56.287 0.051 0.000 0.927 363 K CB -0.743 31.780 32.500 0.038 0.000 0.713 363 K HN 0.011 nan 8.250 nan 0.000 0.443 364 A N 0.319 123.096 122.820 -0.072 0.000 1.940 364 A HA -0.184 4.130 4.320 -0.010 0.000 0.219 364 A C 2.286 179.783 177.584 -0.145 0.000 1.176 364 A CA 1.521 53.447 52.037 -0.186 0.000 0.631 364 A CB -1.137 17.691 19.000 -0.287 0.000 0.814 364 A HN 0.705 nan 8.150 nan 0.000 0.446 365 W N 0.608 121.731 121.300 -0.296 0.000 2.409 365 W HA -0.132 4.522 4.660 -0.010 0.000 0.299 365 W C 1.993 178.471 176.519 -0.069 0.000 1.203 365 W CA 1.581 58.800 57.345 -0.211 0.000 1.298 365 W CB -0.114 29.277 29.460 -0.115 0.000 1.127 365 W HN 0.642 nan 8.180 nan 0.000 0.528 366 E N 0.365 120.569 120.200 0.008 0.000 2.033 366 E HA -0.267 4.077 4.350 -0.010 0.000 0.199 366 E C 2.020 178.546 176.600 -0.122 0.000 1.011 366 E CA 2.500 58.869 56.400 -0.052 0.000 0.815 366 E CB -0.548 29.174 29.700 0.036 0.000 0.755 366 E HN 0.010 nan 8.360 nan 0.000 0.451 367 V N 0.965 120.825 119.914 -0.091 0.000 2.250 367 V HA -0.358 3.756 4.120 -0.010 0.000 0.250 367 V C 2.497 178.522 176.094 -0.116 0.000 1.060 367 V CA 2.461 64.719 62.300 -0.069 0.000 1.030 367 V CB -1.031 30.731 31.823 -0.102 0.000 0.643 367 V HN 0.464 nan 8.190 nan 0.000 0.445 368 T N -0.000 114.394 114.554 -0.266 0.000 2.622 368 T HA -0.204 4.140 4.350 -0.010 0.000 0.266 368 T C 1.897 176.383 174.700 -0.356 0.000 1.047 368 T CA 1.936 63.834 62.100 -0.338 0.000 1.159 368 T CB -0.406 68.142 68.868 -0.532 0.000 0.863 368 T HN 0.294 nan 8.240 nan 0.000 0.422 369 V N 1.699 121.260 119.914 -0.588 0.000 2.287 369 V HA -0.229 3.885 4.120 -0.010 0.000 0.248 369 V C 2.374 178.438 176.094 -0.052 0.000 1.053 369 V CA 1.735 63.799 62.300 -0.393 0.000 1.027 369 V CB -0.618 30.913 31.823 -0.487 0.000 0.646 369 V HN 0.506 nan 8.190 nan 0.000 0.447 370 K N -0.129 120.223 120.400 -0.080 0.000 2.209 370 K HA -0.133 4.181 4.320 -0.010 0.000 0.204 370 K C 2.094 178.722 176.600 0.048 0.000 1.048 370 K CA 1.774 58.021 56.287 -0.067 0.000 0.940 370 K CB -0.366 32.082 32.500 -0.087 0.000 0.729 370 K HN 0.506 nan 8.250 nan 0.000 0.451 371 T N 0.237 114.846 114.554 0.092 0.000 2.978 371 T HA 0.002 4.346 4.350 -0.010 0.000 0.262 371 T C 0.905 175.725 174.700 0.200 0.000 1.063 371 T CA 0.453 62.642 62.100 0.148 0.000 1.140 371 T CB 0.025 69.006 68.868 0.188 0.000 0.886 371 T HN 0.174 nan 8.240 nan 0.000 0.470 372 C N 2.424 121.816 119.300 0.153 0.000 2.341 372 C HA 0.888 5.342 4.460 -0.010 0.000 0.338 372 C C 0.547 175.552 174.990 0.024 0.000 1.257 372 C CA -1.416 57.652 59.018 0.082 0.000 1.883 372 C CB 0.088 27.816 27.740 -0.020 0.000 2.334 372 C HN 0.561 nan 8.230 nan 0.000 0.524 373 A N 2.292 125.125 122.820 0.021 0.000 2.401 373 A HA 0.764 5.078 4.320 -0.010 0.000 0.310 373 A C -1.525 176.130 177.584 0.119 0.000 1.075 373 A CA -0.386 51.620 52.037 -0.052 0.000 0.746 373 A CB 1.014 19.895 19.000 -0.199 0.000 1.277 373 A HN 0.892 nan 8.150 nan 0.000 0.425 374 Y N 1.275 121.527 120.300 -0.080 0.000 2.335 374 Y HA 0.629 5.173 4.550 -0.009 0.000 0.338 374 Y C -0.398 175.495 175.900 -0.013 0.000 0.977 374 Y CA -0.491 57.579 58.100 -0.050 0.000 1.114 374 Y CB 1.759 40.144 38.460 -0.125 0.000 1.182 374 Y HN 0.556 nan 8.280 nan 0.000 0.463 375 T N 6.893 121.314 114.554 -0.223 0.000 2.771 375 T HA 0.220 4.564 4.350 -0.010 0.000 0.281 375 T C -0.554 173.674 174.700 -0.788 0.000 0.982 375 T CA -0.833 61.001 62.100 -0.444 0.000 0.978 375 T CB 0.415 69.272 68.868 -0.018 0.000 0.930 375 T HN 0.675 nan 8.240 nan 0.000 0.447 376 N N 1.589 119.799 118.700 -0.818 0.000 2.479 376 N HA 0.113 4.847 4.740 -0.010 0.000 0.285 376 N C 0.050 175.362 175.510 -0.331 0.000 1.075 376 N CA -0.306 52.497 53.050 -0.413 0.000 0.967 376 N CB 0.729 39.167 38.487 -0.081 0.000 1.137 376 N HN 0.663 nan 8.380 nan 0.000 0.472 377 H N 0.862 119.957 119.070 0.042 0.000 2.893 377 H HA 0.133 4.683 4.556 -0.010 0.000 0.270 377 H C -0.180 175.058 175.328 -0.150 0.000 1.095 377 H CA 0.112 56.126 56.048 -0.058 0.000 1.186 377 H CB 0.892 30.633 29.762 -0.036 0.000 1.562 377 H HN 0.693 nan 8.280 nan 0.000 0.536 378 T N -2.001 112.561 114.554 0.012 0.000 3.047 378 T HA 0.240 4.584 4.350 -0.010 0.000 0.340 378 T C 0.708 175.437 174.700 0.047 0.000 1.421 378 T CA -0.389 61.689 62.100 -0.037 0.000 1.090 378 T CB 1.444 70.309 68.868 -0.004 0.000 1.292 378 T HN -0.093 nan 8.240 nan 0.000 0.480 379 V N 0.267 120.167 119.914 -0.025 0.000 3.523 379 V HA 0.477 4.591 4.120 -0.010 0.000 0.255 379 V C 1.017 177.077 176.094 -0.057 0.000 1.226 379 V CA -0.145 62.132 62.300 -0.039 0.000 1.092 379 V CB -0.385 31.422 31.823 -0.027 0.000 0.817 379 V HN 0.849 nan 8.190 nan 0.000 0.458 380 I N 2.963 123.489 120.570 -0.072 0.000 2.752 380 I HA 0.114 4.278 4.170 -0.010 0.000 0.289 380 I C -1.243 174.890 176.117 0.026 0.000 1.197 380 I CA -1.458 59.830 61.300 -0.019 0.000 1.432 380 I CB 0.913 38.877 38.000 -0.060 0.000 1.359 380 I HN 0.202 nan 8.210 nan 0.000 0.571 381 P HA -0.064 nan 4.420 nan 0.000 0.230 381 P C 1.141 178.468 177.300 0.045 0.000 1.168 381 P CA 0.519 63.638 63.100 0.031 0.000 0.793 381 P CB 0.110 31.831 31.700 0.034 0.000 0.851 382 E N 0.422 120.686 120.200 0.107 0.000 2.478 382 E HA -0.067 4.277 4.350 -0.010 0.000 0.198 382 E C 1.427 178.087 176.600 0.099 0.000 1.046 382 E CA 0.993 57.489 56.400 0.159 0.000 0.870 382 E CB -0.623 29.274 29.700 0.328 0.000 0.818 382 E HN 0.131 nan 8.360 nan 0.000 0.527 383 A N 1.436 124.311 122.820 0.092 0.000 2.072 383 A HA 0.172 4.487 4.320 -0.010 0.000 0.216 383 A C 1.480 179.065 177.584 0.002 0.000 1.156 383 A CA -0.106 51.975 52.037 0.075 0.000 0.701 383 A CB -0.147 18.910 19.000 0.094 0.000 0.816 383 A HN 0.183 nan 8.150 nan 0.000 0.458 384 L N 1.389 122.578 121.223 -0.057 0.000 2.416 384 L HA 0.140 4.474 4.340 -0.010 0.000 0.272 384 L C -0.133 176.444 176.870 -0.489 0.000 1.161 384 L CA -0.122 54.617 54.840 -0.168 0.000 0.845 384 L CB 0.504 42.477 42.059 -0.142 0.000 1.119 384 L HN 0.346 nan 8.230 nan 0.000 0.464 385 E N 4.157 123.965 120.200 -0.654 0.000 2.180 385 E HA 0.241 4.585 4.350 -0.010 0.000 0.283 385 E C -0.605 175.280 176.600 -1.190 0.000 1.061 385 E CA -0.198 55.336 56.400 -1.444 0.000 0.861 385 E CB 0.731 29.986 29.700 -0.742 0.000 1.056 385 E HN 0.398 nan 8.360 nan 0.000 0.407 386 R N 3.746 123.262 120.500 -1.640 0.000 2.487 386 R HA 0.185 4.519 4.340 -0.010 0.000 0.288 386 R C -1.257 174.793 176.300 -0.417 0.000 1.394 386 R CA -0.569 55.110 56.100 -0.701 0.000 1.155 386 R CB 0.805 30.880 30.300 -0.375 0.000 1.156 386 R HN 0.448 nan 8.270 nan 0.000 0.553 387 W N 4.588 125.793 121.300 -0.159 0.000 2.311 387 W HA 0.239 4.893 4.660 -0.010 0.000 0.310 387 W C -1.841 174.658 176.519 -0.033 0.000 1.274 387 W CA -2.087 55.266 57.345 0.014 0.000 1.215 387 W CB 0.598 30.037 29.460 -0.035 0.000 1.227 387 W HN 0.250 nan 8.180 nan 0.000 0.523 388 P HA -0.121 nan 4.420 nan 0.000 0.264 388 P C 0.850 178.091 177.300 -0.098 0.000 1.193 388 P CA 0.266 63.373 63.100 0.011 0.000 0.763 388 P CB 0.590 32.209 31.700 -0.136 0.000 0.810 389 V N 2.173 122.081 119.914 -0.009 0.000 2.594 389 V HA -0.261 3.853 4.120 -0.010 0.000 0.253 389 V C 2.025 178.098 176.094 -0.035 0.000 1.069 389 V CA 1.879 64.181 62.300 0.004 0.000 1.082 389 V CB -1.797 30.098 31.823 0.120 0.000 0.680 389 V HN 0.679 nan 8.190 nan 0.000 0.469 390 H N -0.313 118.822 119.070 0.108 0.000 2.423 390 H HA -0.065 4.485 4.556 -0.010 0.000 0.297 390 H C 2.187 177.569 175.328 0.091 0.000 1.075 390 H CA 1.652 57.758 56.048 0.096 0.000 1.342 390 H CB -0.268 29.550 29.762 0.093 0.000 1.395 390 H HN 0.462 nan 8.280 nan 0.000 0.530 391 L N 1.636 122.492 121.223 -0.612 0.000 1.976 391 L HA -0.124 4.210 4.340 -0.010 0.000 0.209 391 L C 2.653 179.461 176.870 -0.104 0.000 1.071 391 L CA 1.380 56.088 54.840 -0.220 0.000 0.746 391 L CB -1.132 40.763 42.059 -0.273 0.000 0.890 391 L HN 0.254 nan 8.230 nan 0.000 0.432 392 L N -0.524 120.608 121.223 -0.151 0.000 2.127 392 L HA -0.253 4.081 4.340 -0.010 0.000 0.211 392 L C 2.594 179.394 176.870 -0.117 0.000 1.089 392 L CA 1.740 56.474 54.840 -0.178 0.000 0.757 392 L CB -0.497 41.454 42.059 -0.180 0.000 0.899 392 L HN 0.507 nan 8.230 nan 0.000 0.434 393 E N -0.571 119.609 120.200 -0.034 0.000 2.072 393 E HA -0.177 4.167 4.350 -0.010 0.000 0.190 393 E C 1.964 178.607 176.600 0.072 0.000 0.982 393 E CA 1.656 58.073 56.400 0.028 0.000 0.803 393 E CB 0.122 29.879 29.700 0.094 0.000 0.755 393 E HN 0.386 nan 8.360 nan 0.000 0.453 394 T N 1.534 116.158 114.554 0.118 0.000 2.701 394 T HA -0.154 4.190 4.350 -0.010 0.000 0.263 394 T C 1.806 176.627 174.700 0.201 0.000 1.040 394 T CA 1.193 63.413 62.100 0.200 0.000 1.147 394 T CB -0.284 68.742 68.868 0.264 0.000 0.865 394 T HN 0.103 nan 8.240 nan 0.000 0.426 395 L N -0.076 121.167 121.223 0.034 0.000 2.109 395 L HA 0.244 4.578 4.340 -0.010 0.000 0.207 395 L C 0.686 177.492 176.870 -0.106 0.000 1.086 395 L CA 1.697 56.427 54.840 -0.184 0.000 0.760 395 L CB -0.060 41.846 42.059 -0.255 0.000 0.910 395 L HN 0.227 nan 8.230 nan 0.000 0.437 396 L N 0.025 121.161 121.223 -0.146 0.000 2.745 396 L HA 0.235 4.569 4.340 -0.010 0.000 0.296 396 L C -1.661 175.029 176.870 -0.300 0.000 1.362 396 L CA -0.773 53.880 54.840 -0.311 0.000 0.724 396 L CB 0.706 42.432 42.059 -0.554 0.000 1.069 396 L HN -0.069 nan 8.230 nan 0.000 0.535 397 P HA -0.237 nan 4.420 nan 0.000 0.217 397 P C 1.415 178.528 177.300 -0.313 0.000 1.151 397 P CA 1.340 64.325 63.100 -0.191 0.000 0.849 397 P CB 0.365 32.019 31.700 -0.078 0.000 0.787 398 R N -0.437 119.680 120.500 -0.638 0.000 2.093 398 R HA -0.094 4.240 4.340 -0.010 0.000 0.224 398 R C 2.361 178.341 176.300 -0.534 0.000 1.101 398 R CA 1.517 57.244 56.100 -0.622 0.000 0.979 398 R CB -1.655 28.081 30.300 -0.940 0.000 0.877 398 R HN 0.242 nan 8.270 nan 0.000 0.441 399 H N -0.313 118.451 119.070 -0.510 0.000 2.319 399 H HA -0.128 4.422 4.556 -0.010 0.000 0.299 399 H C 1.655 176.808 175.328 -0.292 0.000 1.092 399 H CA 1.834 57.656 56.048 -0.376 0.000 1.302 399 H CB -0.257 29.227 29.762 -0.464 0.000 1.373 399 H HN 0.103 nan 8.280 nan 0.000 0.497 400 L N 0.969 122.070 121.223 -0.204 0.000 2.042 400 L HA -0.224 4.110 4.340 -0.010 0.000 0.210 400 L C 1.931 178.637 176.870 -0.273 0.000 1.076 400 L CA 1.670 56.334 54.840 -0.293 0.000 0.749 400 L CB -0.505 41.411 42.059 -0.238 0.000 0.893 400 L HN 0.316 nan 8.230 nan 0.000 0.432 401 Q N -0.709 119.021 119.800 -0.117 0.000 2.046 401 Q HA -0.180 4.154 4.340 -0.010 0.000 0.200 401 Q C 2.300 178.320 176.000 0.034 0.000 0.975 401 Q CA 1.967 57.785 55.803 0.025 0.000 0.836 401 Q CB -0.238 28.520 28.738 0.033 0.000 0.896 401 Q HN 0.565 nan 8.270 nan 0.000 0.428 402 I N 0.459 121.034 120.570 0.010 0.000 2.286 402 I HA -0.271 3.893 4.170 -0.010 0.000 0.248 402 I C 2.151 178.342 176.117 0.124 0.000 1.115 402 I CA 1.056 62.456 61.300 0.166 0.000 1.392 402 I CB -0.185 37.846 38.000 0.052 0.000 1.065 402 I HN 0.187 nan 8.210 nan 0.000 0.418 403 I N -0.494 120.051 120.570 -0.042 0.000 2.315 403 I HA -0.296 3.868 4.170 -0.010 0.000 0.248 403 I C 2.360 178.445 176.117 -0.053 0.000 1.117 403 I CA 1.284 62.532 61.300 -0.086 0.000 1.404 403 I CB -0.286 37.597 38.000 -0.195 0.000 1.071 403 I HN 0.129 nan 8.210 nan 0.000 0.419 404 Y N 0.724 121.022 120.300 -0.003 0.000 2.224 404 Y HA -0.270 4.274 4.550 -0.010 0.000 0.289 404 Y C 2.580 178.432 175.900 -0.080 0.000 1.146 404 Y CA 1.469 59.552 58.100 -0.029 0.000 1.182 404 Y CB -0.682 37.754 38.460 -0.040 0.000 0.983 404 Y HN 0.194 nan 8.280 nan 0.000 0.524 405 E N 0.361 120.572 120.200 0.020 0.000 2.046 405 E HA -0.114 4.230 4.350 -0.010 0.000 0.190 405 E C 2.112 178.591 176.600 -0.201 0.000 0.982 405 E CA 1.106 57.360 56.400 -0.243 0.000 0.800 405 E CB -0.539 28.796 29.700 -0.608 0.000 0.756 405 E HN 0.429 nan 8.360 nan 0.000 0.449 406 I N 0.994 121.580 120.570 0.027 0.000 2.074 406 I HA -0.410 3.754 4.170 -0.010 0.000 0.238 406 I C 2.367 178.471 176.117 -0.021 0.000 1.037 406 I CA 1.824 63.081 61.300 -0.073 0.000 1.301 406 I CB -0.660 37.271 38.000 -0.115 0.000 1.016 406 I HN 0.241 nan 8.210 nan 0.000 0.400 407 N N 0.540 119.279 118.700 0.065 0.000 2.061 407 N HA -0.290 4.444 4.740 -0.010 0.000 0.193 407 N C 1.791 177.382 175.510 0.135 0.000 1.030 407 N CA 1.899 55.045 53.050 0.161 0.000 0.856 407 N CB -0.228 38.372 38.487 0.188 0.000 1.023 407 N HN 0.288 nan 8.380 nan 0.000 0.424 408 Q N 0.597 120.420 119.800 0.039 0.000 2.061 408 Q HA -0.024 4.310 4.340 -0.010 0.000 0.204 408 Q C 1.987 177.967 176.000 -0.034 0.000 0.984 408 Q CA 1.715 57.509 55.803 -0.015 0.000 0.846 408 Q CB -0.158 28.528 28.738 -0.087 0.000 0.902 408 Q HN 0.382 nan 8.270 nan 0.000 0.421 409 R N -1.114 119.345 120.500 -0.068 0.000 2.090 409 R HA -0.055 4.279 4.340 -0.010 0.000 0.228 409 R C 2.170 178.480 176.300 0.017 0.000 1.110 409 R CA 1.038 57.095 56.100 -0.072 0.000 0.973 409 R CB -0.443 29.767 30.300 -0.151 0.000 0.869 409 R HN 0.300 nan 8.270 nan 0.000 0.440 410 F N 1.779 121.694 119.950 -0.058 0.000 2.069 410 F HA -0.179 4.342 4.527 -0.010 0.000 0.298 410 F C 1.895 177.709 175.800 0.024 0.000 1.113 410 F CA 1.466 59.477 58.000 0.018 0.000 1.214 410 F CB -0.337 38.702 39.000 0.064 0.000 0.978 410 F HN -0.112 nan 8.300 nan 0.000 0.474 411 L N 0.313 121.488 121.223 -0.080 0.000 2.079 411 L HA -0.288 4.046 4.340 -0.010 0.000 0.210 411 L C 2.042 178.828 176.870 -0.140 0.000 1.081 411 L CA 1.427 56.178 54.840 -0.150 0.000 0.752 411 L CB -0.936 41.124 42.059 0.002 0.000 0.896 411 L HN 0.217 nan 8.230 nan 0.000 0.433 412 N N 0.126 118.770 118.700 -0.093 0.000 2.272 412 N HA -0.163 4.571 4.740 -0.010 0.000 0.185 412 N C 1.834 177.282 175.510 -0.103 0.000 1.014 412 N CA 1.042 54.041 53.050 -0.084 0.000 0.870 412 N CB -0.227 38.219 38.487 -0.067 0.000 0.975 412 N HN 0.337 nan 8.380 nan 0.000 0.433 413 R N -0.017 120.394 120.500 -0.149 0.000 2.093 413 R HA 0.090 4.424 4.340 -0.010 0.000 0.224 413 R C 1.933 178.127 176.300 -0.178 0.000 1.101 413 R CA 0.436 56.448 56.100 -0.146 0.000 0.979 413 R CB -0.087 30.138 30.300 -0.125 0.000 0.877 413 R HN 0.027 nan 8.270 nan 0.000 0.441 414 V N 1.136 120.893 119.914 -0.262 0.000 2.237 414 V HA -0.265 3.849 4.120 -0.010 0.000 0.245 414 V C 2.466 178.556 176.094 -0.007 0.000 1.046 414 V CA 2.025 64.248 62.300 -0.129 0.000 1.007 414 V CB -0.880 30.766 31.823 -0.293 0.000 0.638 414 V HN 0.392 nan 8.190 nan 0.000 0.445 415 A N 0.404 123.190 122.820 -0.057 0.000 1.881 415 A HA -0.334 3.980 4.320 -0.010 0.000 0.219 415 A C 2.445 180.004 177.584 -0.041 0.000 1.215 415 A CA 3.198 55.218 52.037 -0.029 0.000 0.648 415 A CB -1.276 17.697 19.000 -0.046 0.000 0.832 415 A HN 0.704 nan 8.150 nan 0.000 0.455 416 A N -0.909 121.866 122.820 -0.075 0.000 1.948 416 A HA 0.103 4.417 4.320 -0.010 0.000 0.220 416 A C 2.424 179.917 177.584 -0.151 0.000 1.177 416 A CA 2.479 54.461 52.037 -0.091 0.000 0.636 416 A CB -0.866 18.083 19.000 -0.085 0.000 0.815 416 A HN 1.288 nan 8.150 nan 0.000 0.449 417 A N -2.027 120.653 122.820 -0.234 0.000 2.030 417 A HA 0.395 4.709 4.320 -0.010 0.000 0.215 417 A C 0.535 177.645 177.584 -0.790 0.000 1.164 417 A CA 0.455 52.171 52.037 -0.535 0.000 0.697 417 A CB -0.097 18.469 19.000 -0.723 0.000 0.827 417 A HN 0.435 nan 8.150 nan 0.000 0.457 418 F N 0.042 119.942 119.950 -0.082 0.000 2.542 418 F HA 0.340 4.861 4.527 -0.010 0.000 0.323 418 F C -2.743 173.020 175.800 -0.063 0.000 1.411 418 F CA -2.939 55.017 58.000 -0.072 0.000 1.124 418 F CB 0.510 39.459 39.000 -0.084 0.000 1.331 418 F HN -0.071 nan 8.300 nan 0.000 0.560 419 P HA 0.118 nan 4.420 nan 0.000 0.262 419 P C 1.068 178.388 177.300 0.033 0.000 1.182 419 P CA 1.235 64.350 63.100 0.025 0.000 0.761 419 P CB 0.736 32.431 31.700 -0.007 0.000 0.795 420 G N 2.561 111.372 108.800 0.018 0.000 2.212 420 G HA2 -0.266 3.688 3.960 -0.010 0.000 0.266 420 G HA3 -0.266 3.688 3.960 -0.010 0.000 0.266 420 G C 0.320 175.227 174.900 0.013 0.000 0.978 420 G CA 0.170 45.278 45.100 0.012 0.000 0.632 420 G HN 0.626 nan 8.290 nan 0.000 0.537 421 D N 0.963 121.380 120.400 0.028 0.000 2.483 421 D HA 0.461 5.095 4.640 -0.010 0.000 0.220 421 D C 1.611 177.896 176.300 -0.024 0.000 1.173 421 D CA 0.032 54.030 54.000 -0.003 0.000 0.964 421 D CB 0.702 41.493 40.800 -0.015 0.000 1.046 421 D HN 0.068 nan 8.370 nan 0.000 0.517 422 V N 2.949 122.852 119.914 -0.019 0.000 2.548 422 V HA -0.162 3.952 4.120 -0.010 0.000 0.249 422 V C 1.940 178.020 176.094 -0.024 0.000 1.055 422 V CA 1.384 63.673 62.300 -0.018 0.000 1.065 422 V CB -0.244 31.573 31.823 -0.011 0.000 0.681 422 V HN 0.452 nan 8.190 nan 0.000 0.462 423 D N 0.042 120.424 120.400 -0.030 0.000 2.149 423 D HA -0.179 4.455 4.640 -0.010 0.000 0.201 423 D C 2.329 178.605 176.300 -0.040 0.000 0.972 423 D CA 0.996 54.980 54.000 -0.026 0.000 0.835 423 D CB -0.123 40.663 40.800 -0.025 0.000 0.966 423 D HN 0.244 nan 8.370 nan 0.000 0.476 424 R N 0.022 120.471 120.500 -0.086 0.000 2.103 424 R HA -0.151 4.183 4.340 -0.010 0.000 0.242 424 R C 2.293 178.524 176.300 -0.115 0.000 1.142 424 R CA 1.132 57.145 56.100 -0.145 0.000 0.960 424 R CB -0.410 29.737 30.300 -0.255 0.000 0.858 424 R HN 0.260 nan 8.270 nan 0.000 0.439 425 L N 0.342 121.520 121.223 -0.075 0.000 1.978 425 L HA -0.270 4.064 4.340 -0.010 0.000 0.218 425 L C 2.968 179.845 176.870 0.013 0.000 1.075 425 L CA 2.136 56.952 54.840 -0.040 0.000 0.767 425 L CB -0.639 41.404 42.059 -0.027 0.000 0.890 425 L HN 0.324 nan 8.230 nan 0.000 0.434 426 R N 0.065 120.577 120.500 0.020 0.000 2.105 426 R HA -0.170 4.164 4.340 -0.010 0.000 0.239 426 R C 2.443 178.800 176.300 0.095 0.000 1.135 426 R CA 1.423 57.556 56.100 0.056 0.000 0.967 426 R CB -0.067 30.258 30.300 0.042 0.000 0.861 426 R HN 0.317 nan 8.270 nan 0.000 0.442 427 R N -0.366 120.172 120.500 0.063 0.000 2.073 427 R HA 0.007 4.341 4.340 -0.010 0.000 0.229 427 R C 2.279 178.697 176.300 0.197 0.000 1.120 427 R CA 1.557 57.728 56.100 0.118 0.000 0.967 427 R CB -0.113 30.214 30.300 0.045 0.000 0.862 427 R HN 0.307 nan 8.270 nan 0.000 0.436 428 M N 0.320 119.941 119.600 0.035 0.000 2.419 428 M HA -0.006 4.469 4.480 -0.010 0.000 0.264 428 M C 1.017 177.498 176.300 0.302 0.000 1.082 428 M CA 0.279 55.537 55.300 -0.070 0.000 1.119 428 M CB 0.114 32.505 32.600 -0.348 0.000 1.398 428 M HN -0.073 nan 8.290 nan 0.000 0.453 429 S N 0.852 116.730 115.700 0.298 0.000 2.558 429 S HA -0.023 4.441 4.470 -0.010 0.000 0.293 429 S C 0.952 175.833 174.600 0.468 0.000 1.292 429 S CA -0.352 58.055 58.200 0.345 0.000 1.063 429 S CB 0.518 63.854 63.200 0.227 0.000 0.831 429 S HN 0.216 nan 8.310 nan 0.000 0.499 430 L N 5.502 126.946 121.223 0.369 0.000 2.362 430 L HA 0.091 4.425 4.340 -0.010 0.000 0.219 430 L C 0.479 177.450 176.870 0.169 0.000 1.134 430 L CA 0.742 55.736 54.840 0.257 0.000 0.807 430 L CB -0.407 41.748 42.059 0.159 0.000 0.927 430 L HN 0.482 nan 8.230 nan 0.000 0.447 431 V N 0.552 120.586 119.914 0.199 0.000 2.334 431 V HA 0.131 4.245 4.120 -0.010 0.000 0.267 431 V C 0.290 176.470 176.094 0.142 0.000 1.040 431 V CA -0.854 61.552 62.300 0.176 0.000 0.866 431 V CB 0.531 32.497 31.823 0.239 0.000 1.019 431 V HN 0.185 nan 8.190 nan 0.000 0.468 432 E N 3.522 123.783 120.200 0.101 0.000 2.129 432 E HA 0.221 4.565 4.350 -0.010 0.000 0.283 432 E C -0.268 176.383 176.600 0.084 0.000 1.080 432 E CA -0.355 56.093 56.400 0.081 0.000 0.867 432 E CB 1.271 30.993 29.700 0.037 0.000 1.056 432 E HN 0.577 nan 8.360 nan 0.000 0.404 433 E N 1.415 121.663 120.200 0.080 0.000 2.392 433 E HA 0.479 4.824 4.350 -0.010 0.000 0.256 433 E C 0.196 176.833 176.600 0.063 0.000 1.145 433 E CA 0.463 56.905 56.400 0.070 0.000 0.929 433 E CB 1.131 30.867 29.700 0.060 0.000 0.998 433 E HN 0.647 nan 8.360 nan 0.000 0.442 434 G N -0.330 108.506 108.800 0.060 0.000 2.356 434 G HA2 0.331 4.285 3.960 -0.010 0.000 0.288 434 G HA3 0.331 4.285 3.960 -0.010 0.000 0.288 434 G C 0.230 175.165 174.900 0.058 0.000 1.302 434 G CA 0.099 45.233 45.100 0.056 0.000 0.887 434 G HN 0.570 nan 8.290 nan 0.000 0.521 435 A N -1.008 121.845 122.820 0.055 0.000 1.859 435 A HA 0.262 4.576 4.320 -0.010 0.000 0.217 435 A C 1.386 179.015 177.584 0.076 0.000 1.198 435 A CA 2.444 54.514 52.037 0.056 0.000 0.629 435 A CB -0.712 18.318 19.000 0.049 0.000 0.830 435 A HN 1.547 nan 8.150 nan 0.000 0.446 436 V N 1.699 121.666 119.914 0.089 0.000 2.348 436 V HA 0.153 4.267 4.120 -0.010 0.000 0.270 436 V C 0.136 176.300 176.094 0.117 0.000 1.037 436 V CA -0.667 61.709 62.300 0.125 0.000 0.872 436 V CB 0.752 32.664 31.823 0.147 0.000 1.002 436 V HN 0.395 nan 8.190 nan 0.000 0.464 437 K N 5.014 125.489 120.400 0.126 0.000 2.527 437 K HA 0.313 4.628 4.320 -0.010 0.000 0.278 437 K C -0.046 176.628 176.600 0.122 0.000 0.981 437 K CA 0.404 56.767 56.287 0.126 0.000 1.009 437 K CB 0.447 33.034 32.500 0.145 0.000 0.895 437 K HN 0.619 nan 8.250 nan 0.000 0.493 438 R N 1.416 121.977 120.500 0.101 0.000 2.734 438 R HA 0.438 4.772 4.340 -0.010 0.000 0.271 438 R C -1.102 175.232 176.300 0.057 0.000 1.021 438 R CA -1.001 55.145 56.100 0.077 0.000 0.893 438 R CB 1.124 31.453 30.300 0.048 0.000 1.244 438 R HN 0.334 nan 8.270 nan 0.000 0.464 439 I N 1.688 122.282 120.570 0.041 0.000 2.378 439 I HA 0.198 4.362 4.170 -0.010 0.000 0.291 439 I C -0.216 175.870 176.117 -0.051 0.000 0.992 439 I CA -0.763 60.543 61.300 0.010 0.000 1.154 439 I CB 1.335 39.331 38.000 -0.007 0.000 1.315 439 I HN 0.521 nan 8.210 nan 0.000 0.448 440 N N 6.941 125.586 118.700 -0.093 0.000 2.415 440 N HA 0.077 4.812 4.740 -0.010 0.000 0.250 440 N C 0.875 176.287 175.510 -0.163 0.000 1.127 440 N CA -0.318 52.602 53.050 -0.217 0.000 0.945 440 N CB 0.916 39.145 38.487 -0.430 0.000 1.196 440 N HN 0.396 nan 8.380 nan 0.000 0.499 441 M N 2.503 122.003 119.600 -0.166 0.000 2.159 441 M HA -0.095 4.380 4.480 -0.010 0.000 0.263 441 M C 2.044 178.199 176.300 -0.242 0.000 1.063 441 M CA 0.874 56.096 55.300 -0.130 0.000 1.110 441 M CB -1.660 30.917 32.600 -0.039 0.000 1.374 441 M HN 0.598 nan 8.290 nan 0.000 0.411 442 A N -0.324 122.342 122.820 -0.256 0.000 1.908 442 A HA -0.198 4.116 4.320 -0.010 0.000 0.218 442 A C 2.007 179.355 177.584 -0.393 0.000 1.181 442 A CA 1.726 53.554 52.037 -0.349 0.000 0.627 442 A CB -1.219 17.788 19.000 0.011 0.000 0.818 442 A HN 0.623 nan 8.150 nan 0.000 0.445 443 H N -1.526 117.331 119.070 -0.355 0.000 2.353 443 H HA -0.111 4.439 4.556 -0.010 0.000 0.300 443 H C 2.119 177.241 175.328 -0.343 0.000 1.090 443 H CA 0.950 56.782 56.048 -0.360 0.000 1.327 443 H CB -0.114 29.649 29.762 0.002 0.000 1.383 443 H HN 0.426 nan 8.280 nan 0.000 0.508 444 L N 1.064 122.213 121.223 -0.124 0.000 1.951 444 L HA -0.263 4.071 4.340 -0.010 0.000 0.222 444 L C 2.405 179.151 176.870 -0.207 0.000 1.078 444 L CA 1.803 56.565 54.840 -0.131 0.000 0.778 444 L CB -1.129 40.878 42.059 -0.086 0.000 0.893 444 L HN 0.337 nan 8.230 nan 0.000 0.436 445 C N -0.298 118.785 119.300 -0.362 0.000 2.396 445 C HA -0.223 4.232 4.460 -0.010 0.000 0.277 445 C C 2.705 177.446 174.990 -0.415 0.000 1.231 445 C CA 1.304 60.024 59.018 -0.496 0.000 1.775 445 C CB -1.296 25.801 27.740 -1.071 0.000 2.036 445 C HN 0.670 nan 8.230 nan 0.000 0.484 446 I N 1.244 121.528 120.570 -0.476 0.000 2.353 446 I HA -0.119 4.045 4.170 -0.010 0.000 0.248 446 I C 2.737 178.752 176.117 -0.170 0.000 1.119 446 I CA 1.328 62.422 61.300 -0.343 0.000 1.417 446 I CB -0.615 37.103 38.000 -0.469 0.000 1.078 446 I HN 0.243 nan 8.210 nan 0.000 0.421 447 A N 0.906 123.566 122.820 -0.266 0.000 1.892 447 A HA -0.174 4.140 4.320 -0.010 0.000 0.218 447 A C 2.271 179.962 177.584 0.177 0.000 1.188 447 A CA 2.154 54.072 52.037 -0.198 0.000 0.631 447 A CB -1.398 17.331 19.000 -0.452 0.000 0.822 447 A HN 0.472 nan 8.150 nan 0.000 0.447 448 G N -1.397 107.448 108.800 0.075 0.000 3.141 448 G HA2 0.400 4.354 3.960 -0.010 0.000 0.218 448 G HA3 0.400 4.354 3.960 -0.010 0.000 0.218 448 G C 0.234 174.980 174.900 -0.256 0.000 1.170 448 G CA 0.560 45.586 45.100 -0.123 0.000 0.769 448 G HN 0.375 nan 8.290 nan 0.000 0.546 449 S N -0.356 115.265 115.700 -0.132 0.000 2.537 449 S HA 0.320 4.785 4.470 -0.010 0.000 0.301 449 S C 0.939 175.518 174.600 -0.036 0.000 1.092 449 S CA -0.683 57.455 58.200 -0.104 0.000 1.048 449 S CB 1.201 64.337 63.200 -0.107 0.000 1.053 449 S HN 0.524 nan 8.310 nan 0.000 0.501 450 H N 0.026 119.082 119.070 -0.024 0.000 2.535 450 H HA 0.467 5.017 4.556 -0.010 0.000 0.273 450 H C 0.184 175.530 175.328 0.030 0.000 0.983 450 H CA 0.362 56.424 56.048 0.023 0.000 1.238 450 H CB 0.172 29.949 29.762 0.025 0.000 1.412 450 H HN 0.490 nan 8.280 nan 0.000 0.562 451 A N 0.938 123.526 122.820 -0.387 0.000 2.520 451 A HA 0.545 4.859 4.320 -0.010 0.000 0.298 451 A C -1.460 175.961 177.584 -0.272 0.000 1.051 451 A CA -0.582 51.277 52.037 -0.297 0.000 0.690 451 A CB 2.261 21.069 19.000 -0.321 0.000 1.281 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.314 124.024 119.914 -0.340 0.000 2.482 452 V HA 0.436 4.550 4.120 -0.010 0.000 0.295 452 V C -0.665 175.251 176.094 -0.298 0.000 1.026 452 V CA -0.828 61.257 62.300 -0.358 0.000 0.856 452 V CB 1.574 33.020 31.823 -0.629 0.000 1.001 452 V HN 0.991 nan 8.190 nan 0.000 0.424 453 N N 3.468 122.027 118.700 -0.235 0.000 2.335 453 N HA 0.674 5.408 4.740 -0.010 0.000 0.304 453 N C -0.168 175.253 175.510 -0.148 0.000 1.135 453 N CA -0.325 52.629 53.050 -0.160 0.000 0.817 453 N CB 2.997 41.376 38.487 -0.180 0.000 1.294 453 N HN 0.597 nan 8.380 nan 0.000 0.497 454 G N -0.946 107.810 108.800 -0.073 0.000 2.705 454 G HA2 0.452 4.406 3.960 -0.010 0.000 0.299 454 G HA3 0.452 4.406 3.960 -0.010 0.000 0.299 454 G C 0.491 175.460 174.900 0.116 0.000 1.315 454 G CA -0.517 44.618 45.100 0.059 0.000 1.045 454 G HN 0.624 nan 8.290 nan 0.000 0.517 455 V N -3.967 116.098 119.914 0.252 0.000 3.276 455 V HA 0.713 4.827 4.120 -0.010 0.000 0.319 455 V C 0.394 176.556 176.094 0.113 0.000 1.427 455 V CA 0.275 62.648 62.300 0.122 0.000 1.102 455 V CB -0.693 31.146 31.823 0.027 0.000 1.020 455 V HN 1.598 nan 8.190 nan 0.000 0.456 456 A N -0.181 122.719 122.820 0.133 0.000 2.586 456 A HA 0.617 4.931 4.320 -0.010 0.000 0.296 456 A C 0.522 178.153 177.584 0.079 0.000 1.040 456 A CA -0.037 52.058 52.037 0.097 0.000 0.701 456 A CB 0.851 19.893 19.000 0.070 0.000 1.277 456 A HN 0.094 nan 8.150 nan 0.000 0.413 457 R N 0.856 121.386 120.500 0.051 0.000 2.136 457 R HA -0.213 4.121 4.340 -0.010 0.000 0.242 457 R C 1.799 178.101 176.300 0.002 0.000 1.131 457 R CA 2.600 58.710 56.100 0.017 0.000 0.937 457 R CB -0.342 29.965 30.300 0.011 0.000 0.863 457 R HN 0.802 nan 8.270 nan 0.000 0.435 458 I N -0.205 120.371 120.570 0.009 0.000 2.226 458 I HA -0.314 3.850 4.170 -0.010 0.000 0.245 458 I C 2.310 178.433 176.117 0.011 0.000 1.100 458 I CA 1.948 63.245 61.300 -0.005 0.000 1.374 458 I CB -0.266 37.729 38.000 -0.009 0.000 1.057 458 I HN 0.408 nan 8.210 nan 0.000 0.413 459 H N 0.646 119.679 119.070 -0.061 0.000 2.319 459 H HA -0.165 4.385 4.556 -0.010 0.000 0.299 459 H C 2.262 177.547 175.328 -0.071 0.000 1.092 459 H CA 2.361 58.366 56.048 -0.071 0.000 1.302 459 H CB -0.292 29.432 29.762 -0.063 0.000 1.373 459 H HN 0.273 nan 8.280 nan 0.000 0.497 460 S N 0.492 116.113 115.700 -0.131 0.000 2.447 460 S HA -0.103 4.361 4.470 -0.010 0.000 0.233 460 S C 1.819 176.310 174.600 -0.182 0.000 1.006 460 S CA 0.989 59.072 58.200 -0.195 0.000 0.957 460 S CB -0.008 63.143 63.200 -0.081 0.000 0.773 460 S HN 0.473 nan 8.310 nan 0.000 0.507 461 E N 1.212 121.323 120.200 -0.149 0.000 2.046 461 E HA 0.009 4.353 4.350 -0.010 0.000 0.190 461 E C 2.013 178.493 176.600 -0.201 0.000 0.982 461 E CA 0.533 56.828 56.400 -0.174 0.000 0.800 461 E CB -0.435 29.195 29.700 -0.116 0.000 0.756 461 E HN 0.397 nan 8.360 nan 0.000 0.449 462 I N 1.320 121.790 120.570 -0.168 0.000 2.264 462 I HA -0.247 3.917 4.170 -0.010 0.000 0.248 462 I C 2.243 178.220 176.117 -0.233 0.000 1.111 462 I CA 0.890 62.088 61.300 -0.170 0.000 1.382 462 I CB -0.201 37.731 38.000 -0.113 0.000 1.060 462 I HN 0.024 nan 8.210 nan 0.000 0.418 463 L N -0.393 120.646 121.223 -0.307 0.000 2.046 463 L HA -0.249 4.085 4.340 -0.010 0.000 0.208 463 L C 2.377 179.098 176.870 -0.249 0.000 1.077 463 L CA 1.473 56.129 54.840 -0.306 0.000 0.747 463 L CB -0.763 41.193 42.059 -0.173 0.000 0.896 463 L HN 0.144 nan 8.230 nan 0.000 0.432 464 K N -0.363 119.827 120.400 -0.350 0.000 2.217 464 K HA -0.081 4.233 4.320 -0.010 0.000 0.202 464 K C 1.863 178.209 176.600 -0.424 0.000 1.051 464 K CA 0.639 56.547 56.287 -0.632 0.000 0.952 464 K CB 0.158 32.021 32.500 -1.063 0.000 0.736 464 K HN 0.055 nan 8.250 nan 0.000 0.453 465 K N -0.378 119.858 120.400 -0.274 0.000 2.356 465 K HA 0.112 4.426 4.320 -0.010 0.000 0.195 465 K C 1.180 177.713 176.600 -0.111 0.000 1.037 465 K CA 0.722 56.909 56.287 -0.167 0.000 1.014 465 K CB 0.740 33.156 32.500 -0.139 0.000 0.815 465 K HN 0.037 nan 8.250 nan 0.000 0.507 466 T N -0.020 114.458 114.554 -0.128 0.000 3.212 466 T HA 0.271 4.615 4.350 -0.010 0.000 0.157 466 T C 1.829 176.478 174.700 -0.086 0.000 0.908 466 T CA -0.281 61.760 62.100 -0.097 0.000 0.954 466 T CB -0.281 68.519 68.868 -0.113 0.000 1.709 466 T HN -0.145 nan 8.240 nan 0.000 0.335 467 I N 0.972 121.425 120.570 -0.194 0.000 2.118 467 I HA -0.130 4.034 4.170 -0.010 0.000 0.241 467 I C 1.087 177.134 176.117 -0.118 0.000 1.070 467 I CA 1.868 62.984 61.300 -0.308 0.000 1.327 467 I CB -0.287 37.291 38.000 -0.704 0.000 1.034 467 I HN 0.212 nan 8.210 nan 0.000 0.405 468 F N 0.802 120.809 119.950 0.095 0.000 2.791 468 F HA 0.264 4.785 4.527 -0.010 0.000 0.308 468 F C 1.706 177.573 175.800 0.111 0.000 1.138 468 F CA -0.949 57.171 58.000 0.200 0.000 1.294 468 F CB -0.751 38.397 39.000 0.248 0.000 0.975 468 F HN -0.075 nan 8.300 nan 0.000 0.512 469 K N 0.830 121.329 120.400 0.164 0.000 2.034 469 K HA -0.223 4.091 4.320 -0.010 0.000 0.214 469 K C 1.256 177.921 176.600 0.107 0.000 1.051 469 K CA 2.312 58.653 56.287 0.088 0.000 0.931 469 K CB 0.021 32.538 32.500 0.029 0.000 0.715 469 K HN 0.073 nan 8.250 nan 0.000 0.446 470 D N -0.433 120.016 120.400 0.082 0.000 2.219 470 D HA -0.122 4.512 4.640 -0.010 0.000 0.205 470 D C 1.705 177.946 176.300 -0.098 0.000 0.970 470 D CA 0.951 54.888 54.000 -0.106 0.000 0.851 470 D CB -0.153 40.502 40.800 -0.241 0.000 0.943 470 D HN 0.228 nan 8.370 nan 0.000 0.488 471 F N -0.162 119.861 119.950 0.122 0.000 2.128 471 F HA -0.130 4.391 4.527 -0.010 0.000 0.295 471 F C 2.299 178.241 175.800 0.237 0.000 1.100 471 F CA 0.548 58.706 58.000 0.262 0.000 1.260 471 F CB -0.797 38.451 39.000 0.414 0.000 1.009 471 F HN -0.057 nan 8.300 nan 0.000 0.476 472 Y N 1.361 121.588 120.300 -0.122 0.000 2.193 472 Y HA -0.264 4.280 4.550 -0.010 0.000 0.285 472 Y C 2.145 178.008 175.900 -0.062 0.000 1.166 472 Y CA 1.892 59.728 58.100 -0.439 0.000 1.181 472 Y CB -0.600 37.410 38.460 -0.751 0.000 0.976 472 Y HN 0.175 nan 8.280 nan 0.000 0.520 473 E N -0.487 119.634 120.200 -0.131 0.000 2.072 473 E HA -0.183 4.161 4.350 -0.010 0.000 0.190 473 E C 2.071 178.730 176.600 0.098 0.000 0.982 473 E CA 1.005 57.364 56.400 -0.068 0.000 0.803 473 E CB -0.369 29.356 29.700 0.042 0.000 0.755 473 E HN 0.375 nan 8.360 nan 0.000 0.453 474 L N 1.172 122.509 121.223 0.190 0.000 1.997 474 L HA -0.205 4.129 4.340 -0.010 0.000 0.216 474 L C 0.382 177.322 176.870 0.116 0.000 1.074 474 L CA 1.960 56.923 54.840 0.205 0.000 0.763 474 L CB 0.107 42.286 42.059 0.201 0.000 0.890 474 L HN 0.003 nan 8.230 nan 0.000 0.434 475 E N -1.650 118.599 120.200 0.081 0.000 3.832 475 E HA 0.132 4.476 4.350 -0.010 0.000 0.250 475 E C -1.991 174.446 176.600 -0.272 0.000 1.215 475 E CA -0.803 55.567 56.400 -0.050 0.000 1.179 475 E CB 0.788 30.544 29.700 0.093 0.000 1.270 475 E HN 0.218 nan 8.360 nan 0.000 0.405 476 P HA -0.249 nan 4.420 nan 0.000 0.218 476 P C 1.225 178.515 177.300 -0.016 0.000 1.148 476 P CA 1.361 64.291 63.100 -0.283 0.000 0.822 476 P CB -0.048 31.391 31.700 -0.434 0.000 0.784 477 H N 0.349 119.517 119.070 0.162 0.000 2.489 477 H HA 0.034 4.584 4.556 -0.010 0.000 0.293 477 H C 1.538 176.978 175.328 0.187 0.000 1.066 477 H CA 0.760 56.908 56.048 0.166 0.000 1.305 477 H CB -0.680 29.146 29.762 0.107 0.000 1.386 477 H HN 0.126 nan 8.280 nan 0.000 0.551 478 K N 0.353 120.523 120.400 -0.383 0.000 2.160 478 K HA -0.085 4.229 4.320 -0.010 0.000 0.206 478 K C -0.024 176.477 176.600 -0.165 0.000 1.047 478 K CA 0.822 57.024 56.287 -0.143 0.000 0.930 478 K CB -0.086 32.238 32.500 -0.293 0.000 0.720 478 K HN 0.132 nan 8.250 nan 0.000 0.450 479 F N 1.236 121.223 119.950 0.062 0.000 2.394 479 F HA 0.178 4.699 4.527 -0.010 0.000 0.340 479 F C 0.574 176.394 175.800 0.034 0.000 1.105 479 F CA -0.125 57.922 58.000 0.080 0.000 1.124 479 F CB 1.103 40.225 39.000 0.202 0.000 1.145 479 F HN -0.080 nan 8.300 nan 0.000 0.505 480 Q N 1.576 121.423 119.800 0.080 0.000 2.615 480 Q HA 0.337 4.671 4.340 -0.010 0.000 0.298 480 Q C -1.358 174.620 176.000 -0.037 0.000 1.023 480 Q CA -1.227 54.573 55.803 -0.005 0.000 0.768 480 Q CB 3.252 31.930 28.738 -0.100 0.000 1.500 480 Q HN 0.639 nan 8.270 nan 0.000 0.441 481 N N 0.620 119.277 118.700 -0.072 0.000 2.284 481 N HA 0.279 5.013 4.740 -0.010 0.000 0.300 481 N C -1.445 173.980 175.510 -0.141 0.000 1.047 481 N CA -0.383 52.623 53.050 -0.073 0.000 0.821 481 N CB 1.081 39.544 38.487 -0.040 0.000 1.337 481 N HN 0.268 nan 8.380 nan 0.000 0.482 482 K N 2.834 123.154 120.400 -0.133 0.000 2.675 482 K HA 0.177 4.492 4.320 -0.010 0.000 0.224 482 K C -0.926 175.700 176.600 0.043 0.000 1.003 482 K CA -0.491 55.694 56.287 -0.170 0.000 1.034 482 K CB 1.290 33.444 32.500 -0.575 0.000 1.218 482 K HN 0.552 nan 8.250 nan 0.000 0.507 483 T N 2.099 116.689 114.554 0.059 0.000 2.905 483 T HA 0.006 4.350 4.350 -0.010 0.000 0.299 483 T C 0.750 175.582 174.700 0.221 0.000 1.024 483 T CA 0.440 62.623 62.100 0.138 0.000 1.151 483 T CB 0.129 69.082 68.868 0.141 0.000 0.987 483 T HN 0.368 nan 8.240 nan 0.000 0.535 484 N N 0.797 119.645 118.700 0.247 0.000 2.307 484 N HA 0.353 5.087 4.740 -0.010 0.000 0.230 484 N C 0.556 176.249 175.510 0.306 0.000 1.297 484 N CA -0.150 53.072 53.050 0.288 0.000 0.884 484 N CB 0.376 38.968 38.487 0.175 0.000 1.115 484 N HN 0.760 nan 8.380 nan 0.000 0.436 485 G N -0.512 108.475 108.800 0.312 0.000 2.727 485 G HA2 0.634 4.588 3.960 -0.010 0.000 0.289 485 G HA3 0.634 4.588 3.960 -0.010 0.000 0.289 485 G C -1.291 173.735 174.900 0.211 0.000 1.418 485 G CA -0.771 44.497 45.100 0.280 0.000 0.818 485 G HN 0.604 nan 8.290 nan 0.000 0.486 486 I N -2.126 118.556 120.570 0.186 0.000 2.608 486 I HA 0.667 4.831 4.170 -0.010 0.000 0.295 486 I C 0.024 176.315 176.117 0.290 0.000 1.049 486 I CA -0.847 60.569 61.300 0.192 0.000 1.063 486 I CB 2.357 40.356 38.000 -0.003 0.000 1.248 486 I HN 0.479 nan 8.210 nan 0.000 0.424 487 T N 5.729 120.500 114.554 0.362 0.000 2.902 487 T HA 0.238 4.582 4.350 -0.010 0.000 0.301 487 T C -1.334 173.494 174.700 0.213 0.000 1.012 487 T CA -1.013 61.224 62.100 0.229 0.000 1.151 487 T CB 0.573 69.514 68.868 0.122 0.000 0.946 487 T HN 0.675 nan 8.240 nan 0.000 0.542 488 P HA 0.097 nan 4.420 nan 0.000 0.249 488 P C 0.925 178.198 177.300 -0.045 0.000 1.229 488 P CA 0.145 63.294 63.100 0.081 0.000 0.788 488 P CB 0.355 32.104 31.700 0.080 0.000 1.072 489 R N 0.779 121.197 120.500 -0.138 0.000 2.107 489 R HA -0.038 4.296 4.340 -0.010 0.000 0.223 489 R C 2.633 178.819 176.300 -0.191 0.000 1.138 489 R CA 1.584 57.567 56.100 -0.194 0.000 0.900 489 R CB -1.554 28.622 30.300 -0.207 0.000 0.814 489 R HN 0.043 nan 8.270 nan 0.000 0.437 490 R N -0.353 119.974 120.500 -0.288 0.000 2.094 490 R HA -0.162 4.173 4.340 -0.010 0.000 0.239 490 R C 1.335 177.323 176.300 -0.520 0.000 1.137 490 R CA 2.050 57.813 56.100 -0.563 0.000 0.943 490 R CB -0.296 29.434 30.300 -0.950 0.000 0.850 490 R HN 0.361 nan 8.270 nan 0.000 0.433 491 W N -0.393 120.870 121.300 -0.062 0.000 3.405 491 W HA 0.149 4.803 4.660 -0.011 0.000 0.300 491 W C 1.034 177.530 176.519 -0.038 0.000 1.286 491 W CA -0.745 56.564 57.345 -0.059 0.000 1.762 491 W CB 0.385 29.818 29.460 -0.045 0.000 1.087 491 W HN 0.276 nan 8.180 nan 0.000 0.703 492 L N -2.536 118.761 121.223 0.125 0.000 2.437 492 L HA 0.190 4.524 4.340 -0.010 0.000 0.188 492 L C 1.676 178.569 176.870 0.039 0.000 1.123 492 L CA 0.719 55.617 54.840 0.097 0.000 0.981 492 L CB -0.811 41.327 42.059 0.132 0.000 1.935 492 L HN -0.249 nan 8.230 nan 0.000 0.494 493 V N 1.304 121.220 119.914 0.003 0.000 2.287 493 V HA -0.260 3.854 4.120 -0.010 0.000 0.248 493 V C 2.546 178.619 176.094 -0.034 0.000 1.053 493 V CA 2.381 64.671 62.300 -0.018 0.000 1.027 493 V CB -0.654 31.114 31.823 -0.091 0.000 0.646 493 V HN 0.391 nan 8.190 nan 0.000 0.447 494 L N 0.366 121.539 121.223 -0.083 0.000 1.988 494 L HA -0.190 4.144 4.340 -0.010 0.000 0.207 494 L C 2.784 179.603 176.870 -0.084 0.000 1.071 494 L CA 2.323 57.100 54.840 -0.104 0.000 0.744 494 L CB -0.831 41.114 42.059 -0.189 0.000 0.893 494 L HN 0.663 nan 8.230 nan 0.000 0.433 495 C N -2.024 117.221 119.300 -0.093 0.000 2.464 495 C HA 0.073 4.527 4.460 -0.010 0.000 0.278 495 C C 1.284 176.263 174.990 -0.019 0.000 1.375 495 C CA -0.119 58.861 59.018 -0.063 0.000 1.761 495 C CB -0.817 26.894 27.740 -0.048 0.000 1.944 495 C HN 0.487 nan 8.230 nan 0.000 0.509 496 N N 1.198 119.898 118.700 0.000 0.000 2.791 496 N HA 0.319 5.053 4.740 -0.010 0.000 0.265 496 N C -1.896 173.626 175.510 0.020 0.000 1.580 496 N CA -1.682 51.375 53.050 0.012 0.000 0.809 496 N CB 0.940 39.441 38.487 0.024 0.000 1.178 496 N HN 0.282 nan 8.380 nan 0.000 0.499 497 P HA 0.033 nan 4.420 nan 0.000 0.222 497 P C 1.404 178.721 177.300 0.028 0.000 1.153 497 P CA 0.575 63.688 63.100 0.021 0.000 0.798 497 P CB 0.358 32.064 31.700 0.009 0.000 0.796 498 G N 1.390 110.200 108.800 0.017 0.000 2.514 498 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.217 498 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.217 498 G C 1.501 176.407 174.900 0.010 0.000 1.198 498 G CA 0.979 46.084 45.100 0.010 0.000 0.780 498 G HN 0.248 nan 8.290 nan 0.000 0.565 499 L N 1.435 122.663 121.223 0.009 0.000 2.046 499 L HA 0.158 4.492 4.340 -0.010 0.000 0.208 499 L C 3.114 180.008 176.870 0.040 0.000 1.077 499 L CA 2.161 57.003 54.840 0.004 0.000 0.747 499 L CB -0.877 41.183 42.059 0.003 0.000 0.896 499 L HN 0.269 nan 8.230 nan 0.000 0.432 500 A N -0.901 121.964 122.820 0.076 0.000 1.908 500 A HA -0.256 4.058 4.320 -0.010 0.000 0.218 500 A C 2.269 179.944 177.584 0.151 0.000 1.181 500 A CA 1.878 54.009 52.037 0.158 0.000 0.627 500 A CB -0.635 18.452 19.000 0.145 0.000 0.818 500 A HN 0.541 nan 8.150 nan 0.000 0.445 501 E N 0.529 120.781 120.200 0.087 0.000 2.051 501 E HA -0.115 4.229 4.350 -0.010 0.000 0.189 501 E C 1.881 178.522 176.600 0.068 0.000 0.979 501 E CA 1.283 57.729 56.400 0.077 0.000 0.803 501 E CB -0.507 29.221 29.700 0.046 0.000 0.761 501 E HN 0.714 nan 8.360 nan 0.000 0.451 502 I N -1.354 119.247 120.570 0.052 0.000 2.423 502 I HA -0.201 3.963 4.170 -0.010 0.000 0.254 502 I C 2.013 178.212 176.117 0.138 0.000 1.151 502 I CA 1.267 62.614 61.300 0.078 0.000 1.421 502 I CB -0.409 37.613 38.000 0.038 0.000 1.079 502 I HN 0.031 nan 8.210 nan 0.000 0.431 503 I N 1.935 122.557 120.570 0.087 0.000 2.252 503 I HA -0.174 3.990 4.170 -0.010 0.000 0.245 503 I C 2.990 179.071 176.117 -0.060 0.000 1.102 503 I CA 1.289 62.564 61.300 -0.043 0.000 1.385 503 I CB -0.450 37.382 38.000 -0.280 0.000 1.064 503 I HN 0.302 nan 8.210 nan 0.000 0.414 504 A N 0.327 123.210 122.820 0.105 0.000 1.969 504 A HA -0.185 4.129 4.320 -0.010 0.000 0.218 504 A C 2.161 179.790 177.584 0.075 0.000 1.169 504 A CA 1.298 53.456 52.037 0.202 0.000 0.635 504 A CB -0.517 18.613 19.000 0.217 0.000 0.810 504 A HN 0.408 nan 8.150 nan 0.000 0.445 505 E N -0.661 119.560 120.200 0.036 0.000 2.171 505 E HA -0.223 4.121 4.350 -0.010 0.000 0.197 505 E C 2.172 178.739 176.600 -0.056 0.000 0.997 505 E CA 1.123 57.522 56.400 -0.001 0.000 0.810 505 E CB -0.051 29.650 29.700 0.001 0.000 0.738 505 E HN 0.345 nan 8.360 nan 0.000 0.467 506 R N 0.050 120.460 120.500 -0.151 0.000 2.087 506 R HA 0.084 4.418 4.340 -0.010 0.000 0.216 506 R C 2.275 178.518 176.300 -0.096 0.000 1.114 506 R CA 0.878 56.821 56.100 -0.262 0.000 1.002 506 R CB -0.245 29.601 30.300 -0.757 0.000 0.903 506 R HN 0.335 nan 8.270 nan 0.000 0.445 507 I N -3.025 117.504 120.570 -0.068 0.000 4.009 507 I HA 0.413 4.577 4.170 -0.010 0.000 0.331 507 I C 0.542 176.715 176.117 0.093 0.000 1.462 507 I CA 0.091 61.401 61.300 0.016 0.000 1.117 507 I CB 0.490 38.490 38.000 0.000 0.000 1.091 507 I HN 0.157 nan 8.210 nan 0.000 0.410 508 G N 2.289 111.147 108.800 0.097 0.000 2.601 508 G HA2 -0.289 3.665 3.960 -0.010 0.000 0.261 508 G HA3 -0.289 3.665 3.960 -0.010 0.000 0.261 508 G C 0.213 175.255 174.900 0.237 0.000 1.289 508 G CA 0.589 45.767 45.100 0.130 0.000 0.920 508 G HN 0.527 nan 8.290 nan 0.000 0.571 509 E N -0.153 120.114 120.200 0.112 0.000 2.490 509 E HA 0.092 4.436 4.350 -0.010 0.000 0.209 509 E C 2.098 178.576 176.600 -0.203 0.000 0.971 509 E CA 0.287 56.659 56.400 -0.047 0.000 0.988 509 E CB 0.287 29.973 29.700 -0.024 0.000 1.029 509 E HN 0.648 nan 8.360 nan 0.000 0.496 510 E N 0.524 120.704 120.200 -0.033 0.000 2.233 510 E HA -0.246 4.098 4.350 -0.010 0.000 0.199 510 E C 1.755 178.314 176.600 -0.068 0.000 1.004 510 E CA 1.485 57.871 56.400 -0.024 0.000 0.819 510 E CB -0.345 29.381 29.700 0.044 0.000 0.738 510 E HN 0.503 nan 8.360 nan 0.000 0.478 511 Y N -0.416 119.893 120.300 0.015 0.000 2.403 511 Y HA -0.088 4.457 4.550 -0.009 0.000 0.291 511 Y C 1.857 177.744 175.900 -0.021 0.000 1.143 511 Y CA 0.596 58.697 58.100 0.003 0.000 1.257 511 Y CB -0.650 37.816 38.460 0.010 0.000 0.984 511 Y HN -0.058 nan 8.280 nan 0.000 0.550 512 I N 0.820 120.975 120.570 -0.692 0.000 2.614 512 I HA -0.174 3.990 4.170 -0.010 0.000 0.258 512 I C 1.353 177.271 176.117 -0.333 0.000 1.189 512 I CA 1.557 62.511 61.300 -0.577 0.000 1.462 512 I CB -0.328 37.200 38.000 -0.787 0.000 1.092 512 I HN 0.457 nan 8.210 nan 0.000 0.442 513 S N -1.821 113.769 115.700 -0.183 0.000 2.902 513 S HA 0.237 4.701 4.470 -0.010 0.000 0.250 513 S C -0.095 174.499 174.600 -0.010 0.000 1.046 513 S CA -0.582 57.575 58.200 -0.073 0.000 1.069 513 S CB 0.264 63.462 63.200 -0.004 0.000 0.967 513 S HN 0.242 nan 8.310 nan 0.000 0.530 514 D N 0.756 121.158 120.400 0.003 0.000 3.118 514 D HA 0.197 4.831 4.640 -0.010 0.000 0.259 514 D C 0.353 176.700 176.300 0.079 0.000 1.292 514 D CA -0.327 53.696 54.000 0.037 0.000 0.784 514 D CB 0.451 41.275 40.800 0.040 0.000 1.413 514 D HN 0.206 nan 8.370 nan 0.000 0.583 515 L N 0.997 122.266 121.223 0.077 0.000 2.201 515 L HA 0.028 4.362 4.340 -0.010 0.000 0.212 515 L C 1.489 178.409 176.870 0.085 0.000 1.105 515 L CA 1.562 56.475 54.840 0.122 0.000 0.775 515 L CB -0.089 42.031 42.059 0.102 0.000 0.913 515 L HN 0.193 nan 8.230 nan 0.000 0.440 516 D N -0.450 119.974 120.400 0.040 0.000 2.239 516 D HA -0.264 4.370 4.640 -0.010 0.000 0.202 516 D C 1.981 178.302 176.300 0.036 0.000 0.993 516 D CA 1.042 55.052 54.000 0.017 0.000 0.874 516 D CB -0.018 40.779 40.800 -0.005 0.000 0.922 516 D HN 0.546 nan 8.370 nan 0.000 0.464 517 Q N -0.087 119.754 119.800 0.068 0.000 2.308 517 Q HA -0.148 4.186 4.340 -0.010 0.000 0.209 517 Q C 2.416 178.444 176.000 0.047 0.000 0.985 517 Q CA 0.396 56.246 55.803 0.078 0.000 0.881 517 Q CB -0.143 28.674 28.738 0.132 0.000 0.917 517 Q HN 0.441 nan 8.270 nan 0.000 0.443 518 L N 0.194 121.439 121.223 0.036 0.000 2.137 518 L HA -0.260 4.074 4.340 -0.010 0.000 0.213 518 L C 2.455 179.329 176.870 0.007 0.000 1.085 518 L CA 1.251 56.085 54.840 -0.011 0.000 0.760 518 L CB -0.487 41.575 42.059 0.004 0.000 0.893 518 L HN 0.264 nan 8.230 nan 0.000 0.434 519 R N 0.269 120.780 120.500 0.017 0.000 2.139 519 R HA -0.206 4.128 4.340 -0.010 0.000 0.243 519 R C 2.209 178.514 176.300 0.009 0.000 1.145 519 R CA 1.336 57.445 56.100 0.015 0.000 0.976 519 R CB -0.254 30.050 30.300 0.006 0.000 0.866 519 R HN 0.431 nan 8.270 nan 0.000 0.449 520 K N 0.546 120.952 120.400 0.009 0.000 2.173 520 K HA -0.166 4.148 4.320 -0.010 0.000 0.207 520 K C 1.971 178.591 176.600 0.035 0.000 1.046 520 K CA 1.173 57.465 56.287 0.010 0.000 0.929 520 K CB -0.211 32.304 32.500 0.024 0.000 0.720 520 K HN 0.261 nan 8.250 nan 0.000 0.453 521 L N 0.781 122.036 121.223 0.053 0.000 2.362 521 L HA -0.122 4.212 4.340 -0.010 0.000 0.219 521 L C 2.115 179.054 176.870 0.114 0.000 1.134 521 L CA 0.495 55.405 54.840 0.116 0.000 0.807 521 L CB -0.447 41.673 42.059 0.101 0.000 0.927 521 L HN 0.183 nan 8.230 nan 0.000 0.447 522 L N -0.568 120.682 121.223 0.045 0.000 2.187 522 L HA -0.207 4.127 4.340 -0.010 0.000 0.213 522 L C 2.555 179.391 176.870 -0.056 0.000 1.100 522 L CA 0.876 55.728 54.840 0.020 0.000 0.765 522 L CB -0.459 41.602 42.059 0.002 0.000 0.904 522 L HN 0.221 nan 8.230 nan 0.000 0.437 523 S N -1.226 114.370 115.700 -0.173 0.000 2.465 523 S HA -0.167 4.297 4.470 -0.010 0.000 0.241 523 S C 1.188 175.432 174.600 -0.592 0.000 1.000 523 S CA 1.082 59.044 58.200 -0.398 0.000 0.964 523 S CB -0.268 62.600 63.200 -0.554 0.000 0.763 523 S HN 0.439 nan 8.310 nan 0.000 0.512 524 Y N 0.184 120.427 120.300 -0.094 0.000 2.485 524 Y HA 0.195 4.743 4.550 -0.004 0.000 0.260 524 Y C 1.931 177.887 175.900 0.092 0.000 1.173 524 Y CA -0.504 57.561 58.100 -0.059 0.000 1.252 524 Y CB -0.349 37.925 38.460 -0.310 0.000 1.123 524 Y HN 0.170 nan 8.280 nan 0.000 0.524 525 V N -2.511 117.477 119.914 0.124 0.000 2.568 525 V HA -0.195 3.919 4.120 -0.010 0.000 0.253 525 V C 0.688 176.843 176.094 0.100 0.000 1.072 525 V CA 2.033 64.407 62.300 0.125 0.000 1.084 525 V CB -0.108 31.753 31.823 0.064 0.000 0.676 525 V HN 0.263 nan 8.190 nan 0.000 0.469 526 D N -0.133 120.309 120.400 0.071 0.000 2.538 526 D HA 0.167 4.801 4.640 -0.010 0.000 0.231 526 D C 0.031 176.376 176.300 0.075 0.000 1.229 526 D CA 0.002 54.036 54.000 0.057 0.000 0.828 526 D CB 0.232 41.044 40.800 0.021 0.000 1.035 526 D HN 0.511 nan 8.370 nan 0.000 0.495 527 D N 1.834 122.317 120.400 0.139 0.000 2.339 527 D HA -0.002 4.632 4.640 -0.010 0.000 0.241 527 D C 1.175 177.581 176.300 0.177 0.000 1.183 527 D CA -0.046 54.064 54.000 0.184 0.000 0.859 527 D CB 1.287 42.303 40.800 0.360 0.000 1.067 527 D HN -0.121 nan 8.370 nan 0.000 0.484 528 E N 2.975 123.245 120.200 0.115 0.000 2.077 528 E HA -0.170 4.174 4.350 -0.010 0.000 0.193 528 E C 1.702 178.354 176.600 0.087 0.000 0.989 528 E CA 0.867 57.317 56.400 0.084 0.000 0.800 528 E CB -0.201 29.532 29.700 0.056 0.000 0.746 528 E HN 0.635 nan 8.360 nan 0.000 0.452 529 A N 1.016 123.901 122.820 0.108 0.000 1.858 529 A HA -0.171 4.143 4.320 -0.010 0.000 0.216 529 A C 2.120 179.785 177.584 0.134 0.000 1.190 529 A CA 1.191 53.288 52.037 0.099 0.000 0.617 529 A CB -0.904 18.155 19.000 0.099 0.000 0.827 529 A HN 0.206 nan 8.150 nan 0.000 0.443 530 F N 0.668 120.624 119.950 0.010 0.000 2.065 530 F HA -0.238 4.284 4.527 -0.008 0.000 0.298 530 F C 2.126 177.927 175.800 0.002 0.000 1.112 530 F CA 1.713 59.701 58.000 -0.020 0.000 1.212 530 F CB -0.525 38.470 39.000 -0.007 0.000 0.975 530 F HN 0.192 nan 8.300 nan 0.000 0.476 531 I N -0.268 120.350 120.570 0.079 0.000 2.118 531 I HA -0.401 3.763 4.170 -0.010 0.000 0.241 531 I C 2.722 178.794 176.117 -0.074 0.000 1.070 531 I CA 1.867 63.154 61.300 -0.023 0.000 1.327 531 I CB -0.620 37.405 38.000 0.042 0.000 1.034 531 I HN 0.095 nan 8.210 nan 0.000 0.405 532 R N 0.909 121.389 120.500 -0.033 0.000 2.113 532 R HA -0.254 4.080 4.340 -0.010 0.000 0.244 532 R C 1.899 178.152 176.300 -0.079 0.000 1.142 532 R CA 2.477 58.552 56.100 -0.042 0.000 0.953 532 R CB -0.338 29.957 30.300 -0.009 0.000 0.860 532 R HN 0.368 nan 8.270 nan 0.000 0.438 533 D N -0.313 120.023 120.400 -0.106 0.000 2.117 533 D HA -0.106 4.528 4.640 -0.010 0.000 0.198 533 D C 2.024 178.206 176.300 -0.196 0.000 0.982 533 D CA 1.153 55.076 54.000 -0.127 0.000 0.828 533 D CB -0.212 40.527 40.800 -0.102 0.000 0.967 533 D HN 0.111 nan 8.370 nan 0.000 0.464 534 V N 1.691 121.402 119.914 -0.338 0.000 2.255 534 V HA -0.258 3.856 4.120 -0.010 0.000 0.247 534 V C 2.566 178.563 176.094 -0.163 0.000 1.051 534 V CA 2.035 64.138 62.300 -0.328 0.000 1.018 534 V CB -0.911 30.612 31.823 -0.500 0.000 0.641 534 V HN 0.192 nan 8.190 nan 0.000 0.445 535 A N -0.682 122.063 122.820 -0.127 0.000 2.019 535 A HA -0.236 4.078 4.320 -0.010 0.000 0.219 535 A C 2.341 179.882 177.584 -0.072 0.000 1.164 535 A CA 2.012 54.004 52.037 -0.075 0.000 0.644 535 A CB -0.467 18.493 19.000 -0.066 0.000 0.805 535 A HN 0.548 nan 8.150 nan 0.000 0.449 536 K N -0.210 120.143 120.400 -0.078 0.000 2.001 536 K HA -0.081 4.233 4.320 -0.010 0.000 0.208 536 K C 1.837 178.405 176.600 -0.053 0.000 1.048 536 K CA 1.573 57.824 56.287 -0.060 0.000 0.932 536 K CB -0.294 32.174 32.500 -0.053 0.000 0.715 536 K HN 0.210 nan 8.250 nan 0.000 0.437 537 V N 1.856 121.731 119.914 -0.064 0.000 2.332 537 V HA -0.259 3.855 4.120 -0.010 0.000 0.248 537 V C 2.389 178.461 176.094 -0.038 0.000 1.055 537 V CA 2.082 64.353 62.300 -0.048 0.000 1.038 537 V CB -0.461 31.325 31.823 -0.062 0.000 0.651 537 V HN 0.368 nan 8.190 nan 0.000 0.450 538 K N 0.296 120.670 120.400 -0.045 0.000 2.147 538 K HA -0.222 4.093 4.320 -0.010 0.000 0.205 538 K C 2.092 178.656 176.600 -0.060 0.000 1.049 538 K CA 1.663 57.929 56.287 -0.034 0.000 0.936 538 K CB -0.364 32.126 32.500 -0.017 0.000 0.722 538 K HN 0.424 nan 8.250 nan 0.000 0.446 539 Q N 0.775 120.534 119.800 -0.067 0.000 2.245 539 Q HA -0.028 4.306 4.340 -0.010 0.000 0.201 539 Q C 1.513 177.487 176.000 -0.043 0.000 0.955 539 Q CA 1.540 57.294 55.803 -0.082 0.000 0.870 539 Q CB 0.049 28.742 28.738 -0.074 0.000 0.945 539 Q HN 0.473 nan 8.270 nan 0.000 0.461 540 E N -0.288 119.898 120.200 -0.022 0.000 2.031 540 E HA -0.175 4.169 4.350 -0.010 0.000 0.193 540 E C 1.633 178.251 176.600 0.029 0.000 0.994 540 E CA 1.216 57.618 56.400 0.003 0.000 0.800 540 E CB -0.046 29.652 29.700 -0.003 0.000 0.752 540 E HN 0.443 nan 8.360 nan 0.000 0.447 541 N N 1.010 119.724 118.700 0.024 0.000 2.120 541 N HA -0.146 4.588 4.740 -0.010 0.000 0.188 541 N C 1.510 177.100 175.510 0.133 0.000 1.024 541 N CA 1.022 54.109 53.050 0.062 0.000 0.852 541 N CB -0.196 38.313 38.487 0.036 0.000 1.003 541 N HN 0.128 nan 8.380 nan 0.000 0.424 542 K N 0.634 121.073 120.400 0.065 0.000 2.063 542 K HA -0.064 4.250 4.320 -0.010 0.000 0.208 542 K C 2.065 178.793 176.600 0.214 0.000 1.048 542 K CA 0.877 57.210 56.287 0.076 0.000 0.928 542 K CB -0.216 32.009 32.500 -0.458 0.000 0.713 542 K HN 0.149 nan 8.250 nan 0.000 0.442 543 L N 0.901 122.193 121.223 0.115 0.000 2.044 543 L HA -0.157 4.177 4.340 -0.010 0.000 0.205 543 L C 2.567 179.524 176.870 0.145 0.000 1.075 543 L CA 1.141 56.055 54.840 0.123 0.000 0.747 543 L CB -0.403 41.698 42.059 0.069 0.000 0.903 543 L HN 0.131 nan 8.230 nan 0.000 0.435 544 K N 0.121 120.606 120.400 0.141 0.000 2.032 544 K HA -0.302 4.012 4.320 -0.010 0.000 0.218 544 K C 2.155 178.882 176.600 0.211 0.000 1.054 544 K CA 2.243 58.622 56.287 0.153 0.000 0.941 544 K CB -0.391 32.189 32.500 0.133 0.000 0.720 544 K HN 0.056 nan 8.250 nan 0.000 0.449 545 F N 0.824 120.851 119.950 0.129 0.000 2.126 545 F HA -0.160 4.361 4.527 -0.010 0.000 0.299 545 F C 2.037 177.954 175.800 0.196 0.000 1.096 545 F CA 1.602 59.687 58.000 0.141 0.000 1.255 545 F CB -0.566 38.516 39.000 0.137 0.000 0.997 545 F HN 0.176 nan 8.300 nan 0.000 0.479 546 A N -0.222 122.713 122.820 0.191 0.000 2.015 546 A HA 0.046 4.360 4.320 -0.010 0.000 0.219 546 A C 2.331 179.929 177.584 0.024 0.000 1.163 546 A CA 1.402 53.483 52.037 0.074 0.000 0.646 546 A CB -1.328 17.794 19.000 0.202 0.000 0.806 546 A HN 0.437 nan 8.150 nan 0.000 0.448 547 A N -1.576 121.287 122.820 0.072 0.000 1.968 547 A HA -0.004 4.310 4.320 -0.010 0.000 0.217 547 A C 2.047 179.668 177.584 0.061 0.000 1.169 547 A CA 1.368 53.446 52.037 0.069 0.000 0.638 547 A CB -0.689 18.364 19.000 0.089 0.000 0.812 547 A HN 0.688 nan 8.150 nan 0.000 0.446 548 Y N 0.465 120.704 120.300 -0.102 0.000 2.145 548 Y HA -0.168 4.376 4.550 -0.009 0.000 0.286 548 Y C 1.962 177.785 175.900 -0.128 0.000 1.145 548 Y CA 1.868 59.896 58.100 -0.120 0.000 1.148 548 Y CB -0.277 38.079 38.460 -0.175 0.000 0.981 548 Y HN 0.206 nan 8.280 nan 0.000 0.507 549 L N 0.030 121.178 121.223 -0.125 0.000 2.012 549 L HA -0.228 4.106 4.340 -0.010 0.000 0.210 549 L C 2.532 179.370 176.870 -0.053 0.000 1.073 549 L CA 1.861 56.619 54.840 -0.137 0.000 0.748 549 L CB -0.563 41.341 42.059 -0.257 0.000 0.891 549 L HN 0.265 nan 8.230 nan 0.000 0.431 550 E N 0.544 120.722 120.200 -0.036 0.000 2.023 550 E HA -0.267 4.077 4.350 -0.010 0.000 0.196 550 E C 2.161 178.740 176.600 -0.036 0.000 1.003 550 E CA 1.661 58.061 56.400 0.001 0.000 0.809 550 E CB -0.144 29.576 29.700 0.033 0.000 0.755 550 E HN 0.179 nan 8.360 nan 0.000 0.449 551 R N -0.038 120.422 120.500 -0.067 0.000 2.113 551 R HA -0.169 4.165 4.340 -0.010 0.000 0.231 551 R C 2.119 178.304 176.300 -0.192 0.000 1.129 551 R CA 2.056 58.094 56.100 -0.103 0.000 0.915 551 R CB -0.272 29.974 30.300 -0.089 0.000 0.837 551 R HN 0.149 nan 8.270 nan 0.000 0.430 552 E N -0.754 119.236 120.200 -0.350 0.000 2.208 552 E HA -0.148 4.196 4.350 -0.010 0.000 0.193 552 E C 0.921 177.117 176.600 -0.673 0.000 0.988 552 E CA 1.257 57.306 56.400 -0.585 0.000 0.828 552 E CB 0.130 29.259 29.700 -0.952 0.000 0.763 552 E HN 0.583 nan 8.360 nan 0.000 0.478 553 Y N -0.435 119.739 120.300 -0.210 0.000 2.672 553 Y HA 0.229 4.773 4.550 -0.010 0.000 0.252 553 Y C 0.236 176.096 175.900 -0.066 0.000 1.132 553 Y CA -0.686 57.345 58.100 -0.114 0.000 1.228 553 Y CB 0.726 39.125 38.460 -0.102 0.000 1.310 553 Y HN -0.250 nan 8.280 nan 0.000 0.549 554 K N 0.232 120.660 120.400 0.047 0.000 2.914 554 K HA -0.177 4.137 4.320 -0.010 0.000 0.253 554 K C -0.419 176.223 176.600 0.071 0.000 0.986 554 K CA 0.529 56.843 56.287 0.046 0.000 0.730 554 K CB -1.804 30.718 32.500 0.037 0.000 1.228 554 K HN 0.125 nan 8.250 nan 0.000 0.483 555 V N 2.121 122.072 119.914 0.062 0.000 2.368 555 V HA 0.054 4.168 4.120 -0.010 0.000 0.266 555 V C 0.782 176.884 176.094 0.013 0.000 1.045 555 V CA -0.539 61.780 62.300 0.031 0.000 0.899 555 V CB 0.972 32.785 31.823 -0.016 0.000 1.006 555 V HN 0.226 nan 8.190 nan 0.000 0.470 556 H N 7.187 126.253 119.070 -0.005 0.000 2.723 556 H HA 0.473 5.023 4.556 -0.010 0.000 0.294 556 H C -0.484 174.838 175.328 -0.011 0.000 1.079 556 H CA -0.400 55.647 56.048 -0.001 0.000 1.411 556 H CB 1.023 30.793 29.762 0.012 0.000 1.439 556 H HN 0.725 nan 8.280 nan 0.000 0.474 557 I N 2.291 122.378 120.570 -0.805 0.000 2.646 557 I HA 0.326 4.490 4.170 -0.010 0.000 0.299 557 I C -0.366 175.465 176.117 -0.476 0.000 1.036 557 I CA -1.276 59.689 61.300 -0.558 0.000 1.074 557 I CB 1.963 39.782 38.000 -0.302 0.000 1.258 557 I HN 0.372 nan 8.210 nan 0.000 0.430 558 N N 6.781 125.372 118.700 -0.182 0.000 2.416 558 N HA 0.225 4.959 4.740 -0.010 0.000 0.265 558 N C -1.672 173.957 175.510 0.199 0.000 1.195 558 N CA -2.211 50.862 53.050 0.037 0.000 0.943 558 N CB 0.753 39.270 38.487 0.051 0.000 1.115 558 N HN 0.488 nan 8.380 nan 0.000 0.481 559 P HA -0.002 nan 4.420 nan 0.000 0.231 559 P C -0.713 176.579 177.300 -0.013 0.000 1.168 559 P CA 0.675 63.850 63.100 0.125 0.000 0.779 559 P CB 0.221 31.978 31.700 0.095 0.000 0.844 560 N N 0.595 119.312 118.700 0.028 0.000 3.301 560 N HA 0.199 4.933 4.740 -0.010 0.000 0.289 560 N C -0.465 175.056 175.510 0.018 0.000 1.343 560 N CA -0.243 52.811 53.050 0.006 0.000 1.136 560 N CB 0.288 38.792 38.487 0.028 0.000 1.402 560 N HN 0.124 nan 8.380 nan 0.000 0.516 561 S N -0.756 114.938 115.700 -0.011 0.000 2.596 561 S HA 0.332 4.796 4.470 -0.010 0.000 0.270 561 S C -0.708 173.793 174.600 -0.166 0.000 1.155 561 S CA -1.022 57.153 58.200 -0.042 0.000 0.827 561 S CB 1.200 64.406 63.200 0.011 0.000 1.130 561 S HN 0.244 nan 8.310 nan 0.000 0.467 562 L N 2.356 123.332 121.223 -0.411 0.000 2.530 562 L HA 0.312 4.646 4.340 -0.010 0.000 0.273 562 L C -1.112 175.700 176.870 -0.096 0.000 1.141 562 L CA -0.338 54.114 54.840 -0.646 0.000 0.905 562 L CB -0.368 41.051 42.059 -1.068 0.000 1.202 562 L HN 0.611 nan 8.230 nan 0.000 0.473 563 F N 3.617 123.428 119.950 -0.231 0.000 2.439 563 F HA 0.163 4.685 4.527 -0.009 0.000 0.356 563 F C 0.530 176.266 175.800 -0.108 0.000 1.161 563 F CA -1.012 56.916 58.000 -0.120 0.000 1.151 563 F CB 0.015 38.987 39.000 -0.046 0.000 1.222 563 F HN 0.410 nan 8.300 nan 0.000 0.558 564 D N 3.877 124.291 120.400 0.024 0.000 2.396 564 D HA 0.338 4.972 4.640 -0.010 0.000 0.225 564 D C -0.945 175.315 176.300 -0.065 0.000 1.121 564 D CA -0.071 53.904 54.000 -0.042 0.000 0.853 564 D CB 1.009 41.760 40.800 -0.081 0.000 1.043 564 D HN 0.133 nan 8.370 nan 0.000 0.500 565 V N 4.617 124.492 119.914 -0.064 0.000 2.409 565 V HA 0.335 4.449 4.120 -0.010 0.000 0.291 565 V C 0.018 176.013 176.094 -0.166 0.000 1.020 565 V CA -0.786 61.470 62.300 -0.074 0.000 0.848 565 V CB 1.628 33.506 31.823 0.093 0.000 0.990 565 V HN 0.475 nan 8.190 nan 0.000 0.430 566 Q N 3.827 123.529 119.800 -0.162 0.000 2.413 566 Q HA 0.581 4.916 4.340 -0.010 0.000 0.258 566 Q C -1.104 174.749 176.000 -0.245 0.000 1.037 566 Q CA -0.447 55.244 55.803 -0.187 0.000 0.764 566 Q CB 1.815 30.466 28.738 -0.146 0.000 1.217 566 Q HN 0.807 nan 8.270 nan 0.000 0.490 567 V N 1.735 121.491 119.914 -0.263 0.000 2.409 567 V HA 0.861 4.975 4.120 -0.010 0.000 0.291 567 V C -0.966 174.858 176.094 -0.450 0.000 1.020 567 V CA -0.466 61.455 62.300 -0.631 0.000 0.848 567 V CB 1.054 32.243 31.823 -1.056 0.000 0.990 567 V HN 0.791 nan 8.190 nan 0.000 0.430 568 K N 2.821 123.031 120.400 -0.317 0.000 3.076 568 K HA 0.398 4.712 4.320 -0.010 0.000 0.314 568 K C -1.266 175.383 176.600 0.081 0.000 1.113 568 K CA -1.158 55.148 56.287 0.031 0.000 0.860 568 K CB 0.735 33.221 32.500 -0.023 0.000 1.435 568 K HN 0.468 nan 8.250 nan 0.000 0.374 569 R N 1.043 121.628 120.500 0.141 0.000 2.734 569 R HA 0.220 4.554 4.340 -0.010 0.000 0.266 569 R C 0.395 176.739 176.300 0.073 0.000 1.044 569 R CA -0.411 55.777 56.100 0.146 0.000 1.128 569 R CB -0.043 30.366 30.300 0.182 0.000 1.010 569 R HN 0.511 nan 8.270 nan 0.000 0.461 570 I N 3.595 124.213 120.570 0.080 0.000 2.452 570 I HA 0.116 4.280 4.170 -0.010 0.000 0.287 570 I C 0.786 176.886 176.117 -0.028 0.000 1.079 570 I CA 0.586 61.880 61.300 -0.010 0.000 1.387 570 I CB -0.193 37.782 38.000 -0.041 0.000 1.404 570 I HN 0.361 nan 8.210 nan 0.000 0.522 571 H N 4.808 123.781 119.070 -0.161 0.000 3.046 571 H HA 0.228 4.778 4.556 -0.010 0.000 0.361 571 H C 0.320 175.540 175.328 -0.181 0.000 1.235 571 H CA -0.392 55.614 56.048 -0.070 0.000 1.146 571 H CB 2.002 31.653 29.762 -0.184 0.000 1.859 571 H HN 0.590 nan 8.280 nan 0.000 0.548 572 E N 1.541 121.806 120.200 0.109 0.000 2.051 572 E HA -0.237 4.107 4.350 -0.010 0.000 0.192 572 E C 1.518 177.907 176.600 -0.352 0.000 0.991 572 E CA 1.789 58.216 56.400 0.045 0.000 0.799 572 E CB -0.178 29.656 29.700 0.224 0.000 0.748 572 E HN 0.567 nan 8.360 nan 0.000 0.449 573 Y N 1.590 121.371 120.300 -0.866 0.000 2.283 573 Y HA -0.230 4.314 4.550 -0.010 0.000 0.285 573 Y C 1.476 177.127 175.900 -0.416 0.000 1.176 573 Y CA 1.363 58.771 58.100 -1.153 0.000 1.229 573 Y CB -0.260 37.579 38.460 -1.035 0.000 0.975 573 Y HN -0.165 nan 8.280 nan 0.000 0.537 574 K N 0.389 120.420 120.400 -0.615 0.000 2.361 574 K HA 0.120 4.434 4.320 -0.010 0.000 0.196 574 K C 0.252 176.714 176.600 -0.230 0.000 1.039 574 K CA 0.459 56.456 56.287 -0.484 0.000 1.001 574 K CB 0.072 32.251 32.500 -0.535 0.000 0.795 574 K HN 0.234 nan 8.250 nan 0.000 0.495 575 R N 0.434 120.827 120.500 -0.178 0.000 3.422 575 R HA -0.237 4.097 4.340 -0.010 0.000 0.267 575 R C 0.330 176.562 176.300 -0.112 0.000 1.074 575 R CA 0.321 56.356 56.100 -0.108 0.000 0.718 575 R CB -2.034 28.216 30.300 -0.083 0.000 1.157 575 R HN 0.295 nan 8.270 nan 0.000 0.440 576 Q N 0.447 120.179 119.800 -0.113 0.000 2.197 576 Q HA -0.090 4.244 4.340 -0.010 0.000 0.207 576 Q C 2.102 178.057 176.000 -0.074 0.000 0.984 576 Q CA 1.674 57.423 55.803 -0.091 0.000 0.869 576 Q CB -0.051 28.637 28.738 -0.084 0.000 0.906 576 Q HN 0.579 nan 8.270 nan 0.000 0.426 577 L N -0.520 120.661 121.223 -0.070 0.000 2.046 577 L HA -0.183 4.151 4.340 -0.010 0.000 0.208 577 L C 2.086 178.957 176.870 0.001 0.000 1.077 577 L CA 0.691 55.503 54.840 -0.046 0.000 0.747 577 L CB -0.379 41.666 42.059 -0.023 0.000 0.896 577 L HN 0.322 nan 8.230 nan 0.000 0.432 578 L N -0.085 121.132 121.223 -0.010 0.000 2.046 578 L HA -0.257 4.077 4.340 -0.010 0.000 0.208 578 L C 1.998 178.909 176.870 0.068 0.000 1.077 578 L CA 2.017 56.858 54.840 0.002 0.000 0.747 578 L CB -0.902 41.065 42.059 -0.153 0.000 0.896 578 L HN 0.284 nan 8.230 nan 0.000 0.432 579 N N -1.556 117.154 118.700 0.016 0.000 2.094 579 N HA -0.258 4.476 4.740 -0.010 0.000 0.191 579 N C 1.867 177.459 175.510 0.135 0.000 1.023 579 N CA 1.758 54.911 53.050 0.171 0.000 0.857 579 N CB -0.167 38.361 38.487 0.069 0.000 1.013 579 N HN 0.533 nan 8.380 nan 0.000 0.426 580 C N 0.315 119.632 119.300 0.029 0.000 2.446 580 C HA 0.003 4.458 4.460 -0.010 0.000 0.277 580 C C 2.553 177.535 174.990 -0.014 0.000 1.275 580 C CA 0.161 59.147 59.018 -0.053 0.000 1.727 580 C CB -1.159 26.493 27.740 -0.146 0.000 2.010 580 C HN 0.487 nan 8.230 nan 0.000 0.486 581 L N -0.091 121.180 121.223 0.080 0.000 2.013 581 L HA -0.252 4.082 4.340 -0.010 0.000 0.212 581 L C 2.721 179.760 176.870 0.283 0.000 1.073 581 L CA 2.079 57.026 54.840 0.178 0.000 0.753 581 L CB -1.222 40.996 42.059 0.265 0.000 0.890 581 L HN 0.568 nan 8.230 nan 0.000 0.432 582 H N 0.198 119.396 119.070 0.213 0.000 2.289 582 H HA -0.177 4.373 4.556 -0.010 0.000 0.296 582 H C 2.269 177.599 175.328 0.003 0.000 1.091 582 H CA 2.260 58.351 56.048 0.072 0.000 1.274 582 H CB 0.222 29.972 29.762 -0.021 0.000 1.364 582 H HN 0.112 nan 8.280 nan 0.000 0.490 583 V N 1.447 121.274 119.914 -0.144 0.000 2.282 583 V HA -0.291 3.823 4.120 -0.010 0.000 0.249 583 V C 2.790 178.828 176.094 -0.094 0.000 1.057 583 V CA 2.117 64.299 62.300 -0.195 0.000 1.032 583 V CB -0.526 31.220 31.823 -0.129 0.000 0.645 583 V HN 0.400 nan 8.190 nan 0.000 0.447 584 I N -0.217 120.339 120.570 -0.024 0.000 2.546 584 I HA -0.172 3.992 4.170 -0.010 0.000 0.255 584 I C 2.446 178.642 176.117 0.132 0.000 1.163 584 I CA 1.368 62.732 61.300 0.107 0.000 1.457 584 I CB -0.677 37.383 38.000 0.099 0.000 1.092 584 I HN 0.316 nan 8.210 nan 0.000 0.434 585 T N 1.508 116.099 114.554 0.062 0.000 2.674 585 T HA -0.143 4.201 4.350 -0.010 0.000 0.265 585 T C 1.999 176.671 174.700 -0.047 0.000 1.039 585 T CA 1.264 63.388 62.100 0.041 0.000 1.150 585 T CB -0.354 68.568 68.868 0.091 0.000 0.864 585 T HN 0.234 nan 8.240 nan 0.000 0.427 586 L N -0.266 120.848 121.223 -0.180 0.000 1.990 586 L HA -0.192 4.142 4.340 -0.010 0.000 0.213 586 L C 2.441 179.279 176.870 -0.054 0.000 1.072 586 L CA 2.076 56.802 54.840 -0.190 0.000 0.755 586 L CB -0.686 41.164 42.059 -0.348 0.000 0.889 586 L HN 0.314 nan 8.230 nan 0.000 0.432 587 Y N 1.331 121.569 120.300 -0.104 0.000 2.097 587 Y HA -0.284 4.260 4.550 -0.010 0.000 0.282 587 Y C 2.535 178.419 175.900 -0.027 0.000 1.152 587 Y CA 1.941 60.018 58.100 -0.037 0.000 1.136 587 Y CB -0.328 38.157 38.460 0.041 0.000 0.975 587 Y HN 0.212 nan 8.280 nan 0.000 0.498 588 N N 0.322 119.010 118.700 -0.019 0.000 2.188 588 N HA -0.124 4.610 4.740 -0.010 0.000 0.184 588 N C 1.922 177.327 175.510 -0.175 0.000 1.018 588 N CA 1.330 54.281 53.050 -0.164 0.000 0.858 588 N CB -0.346 38.118 38.487 -0.038 0.000 0.989 588 N HN 0.431 nan 8.380 nan 0.000 0.426 589 R N 0.581 121.009 120.500 -0.119 0.000 2.080 589 R HA -0.032 4.302 4.340 -0.010 0.000 0.236 589 R C 2.260 178.479 176.300 -0.134 0.000 1.137 589 R CA 1.010 57.045 56.100 -0.108 0.000 0.943 589 R CB -0.454 29.793 30.300 -0.087 0.000 0.846 589 R HN 0.222 nan 8.270 nan 0.000 0.431 590 I N 1.180 121.655 120.570 -0.159 0.000 2.091 590 I HA -0.352 3.812 4.170 -0.010 0.000 0.239 590 I C 2.204 178.212 176.117 -0.182 0.000 1.061 590 I CA 1.401 62.605 61.300 -0.160 0.000 1.317 590 I CB -0.287 37.623 38.000 -0.150 0.000 1.031 590 I HN 0.069 nan 8.210 nan 0.000 0.401 591 K N 0.981 121.208 120.400 -0.288 0.000 2.160 591 K HA -0.206 4.108 4.320 -0.010 0.000 0.206 591 K C 1.914 178.413 176.600 -0.169 0.000 1.047 591 K CA 1.453 57.580 56.287 -0.266 0.000 0.930 591 K CB -0.408 31.834 32.500 -0.429 0.000 0.720 591 K HN 0.440 nan 8.250 nan 0.000 0.450 592 K N 0.809 121.117 120.400 -0.153 0.000 1.980 592 K HA -0.056 4.258 4.320 -0.010 0.000 0.208 592 K C 0.490 177.042 176.600 -0.079 0.000 1.043 592 K CA 0.958 57.182 56.287 -0.106 0.000 0.938 592 K CB 0.066 32.509 32.500 -0.096 0.000 0.724 592 K HN 0.176 nan 8.250 nan 0.000 0.438 593 E N 1.567 121.722 120.200 -0.075 0.000 2.136 593 E HA 0.078 4.422 4.350 -0.010 0.000 0.246 593 E C -2.084 174.482 176.600 -0.056 0.000 1.017 593 E CA -1.556 54.811 56.400 -0.054 0.000 0.883 593 E CB 1.060 30.735 29.700 -0.042 0.000 1.199 593 E HN 0.168 nan 8.360 nan 0.000 0.447 594 P HA -0.130 nan 4.420 nan 0.000 0.221 594 P C 0.538 177.820 177.300 -0.030 0.000 1.150 594 P CA 0.942 64.010 63.100 -0.053 0.000 0.800 594 P CB 0.405 32.075 31.700 -0.050 0.000 0.787 595 N N -0.223 118.469 118.700 -0.014 0.000 2.422 595 N HA -0.027 4.707 4.740 -0.010 0.000 0.181 595 N C 0.867 176.393 175.510 0.027 0.000 1.080 595 N CA 0.378 53.433 53.050 0.008 0.000 0.893 595 N CB 0.009 38.502 38.487 0.010 0.000 0.973 595 N HN 0.314 nan 8.380 nan 0.000 0.456 596 K N 0.874 121.281 120.400 0.010 0.000 2.276 596 K HA 0.048 4.362 4.320 -0.010 0.000 0.283 596 K C -0.522 176.108 176.600 0.049 0.000 1.044 596 K CA -0.474 55.836 56.287 0.039 0.000 0.944 596 K CB 0.467 32.971 32.500 0.007 0.000 1.012 596 K HN -0.200 nan 8.250 nan 0.000 0.472 597 F N 5.215 125.152 119.950 -0.022 0.000 2.563 597 F HA 0.159 4.680 4.527 -0.010 0.000 0.363 597 F C -0.460 175.324 175.800 -0.026 0.000 1.123 597 F CA 0.152 58.139 58.000 -0.021 0.000 1.307 597 F CB 0.611 39.602 39.000 -0.015 0.000 1.115 597 F HN 0.244 nan 8.300 nan 0.000 0.592 598 V N 3.984 123.178 119.914 -1.201 0.000 2.888 598 V HA 0.466 4.581 4.120 -0.010 0.000 0.309 598 V C -0.700 174.734 176.094 -1.100 0.000 1.114 598 V CA -1.317 60.457 62.300 -0.876 0.000 0.940 598 V CB 0.825 32.399 31.823 -0.414 0.000 1.021 598 V HN 0.611 nan 8.190 nan 0.000 0.426 599 V N 4.830 124.396 119.914 -0.580 0.000 2.539 599 V HA 0.109 4.223 4.120 -0.010 0.000 0.300 599 V C -1.799 174.126 176.094 -0.281 0.000 1.019 599 V CA -0.080 62.056 62.300 -0.273 0.000 1.160 599 V CB 0.157 31.921 31.823 -0.099 0.000 0.901 599 V HN 0.903 nan 8.190 nan 0.000 0.481 600 P HA 0.184 nan 4.420 nan 0.000 0.264 600 P C -0.266 176.930 177.300 -0.174 0.000 1.193 600 P CA 0.373 63.378 63.100 -0.158 0.000 0.763 600 P CB 0.394 32.047 31.700 -0.078 0.000 0.810 601 R N 1.609 122.017 120.500 -0.153 0.000 2.750 601 R HA 0.584 4.918 4.340 -0.010 0.000 0.281 601 R C -0.605 175.640 176.300 -0.092 0.000 0.972 601 R CA -0.682 55.331 56.100 -0.146 0.000 0.912 601 R CB 1.844 32.042 30.300 -0.170 0.000 1.187 601 R HN 0.273 nan 8.270 nan 0.000 0.464 602 T N 1.796 116.315 114.554 -0.059 0.000 2.842 602 T HA 0.226 4.570 4.350 -0.010 0.000 0.308 602 T C -0.313 174.302 174.700 -0.141 0.000 1.041 602 T CA -0.532 61.498 62.100 -0.117 0.000 0.964 602 T CB 1.095 69.844 68.868 -0.198 0.000 0.972 602 T HN 0.145 nan 8.240 nan 0.000 0.460 603 V N 5.700 125.532 119.914 -0.137 0.000 2.368 603 V HA 0.344 4.458 4.120 -0.010 0.000 0.266 603 V C 0.169 176.178 176.094 -0.142 0.000 1.045 603 V CA -0.379 61.846 62.300 -0.125 0.000 0.899 603 V CB 0.331 32.090 31.823 -0.106 0.000 1.006 603 V HN 0.870 nan 8.190 nan 0.000 0.470 604 M N 6.720 126.225 119.600 -0.159 0.000 2.066 604 M HA 0.558 5.032 4.480 -0.010 0.000 0.340 604 M C -0.813 175.367 176.300 -0.200 0.000 1.053 604 M CA -0.078 55.111 55.300 -0.185 0.000 0.983 604 M CB 1.290 33.771 32.600 -0.199 0.000 1.520 604 M HN 0.433 nan 8.290 nan 0.000 0.428 605 I N 2.418 122.854 120.570 -0.224 0.000 2.362 605 I HA 0.718 4.882 4.170 -0.010 0.000 0.289 605 I C 0.384 176.102 176.117 -0.666 0.000 0.994 605 I CA -0.631 60.507 61.300 -0.269 0.000 1.158 605 I CB 1.713 39.667 38.000 -0.076 0.000 1.315 605 I HN 0.732 nan 8.210 nan 0.000 0.451 606 G N 3.244 111.648 108.800 -0.659 0.000 2.563 606 G HA2 0.840 4.794 3.960 -0.010 0.000 0.302 606 G HA3 0.840 4.794 3.960 -0.010 0.000 0.302 606 G C -0.717 173.916 174.900 -0.446 0.000 1.301 606 G CA -0.883 43.717 45.100 -0.834 0.000 0.965 606 G HN 0.997 nan 8.290 nan 0.000 0.480 607 G N -0.245 108.494 108.800 -0.101 0.000 2.321 607 G HA2 0.338 4.292 3.960 -0.010 0.000 0.339 607 G HA3 0.338 4.292 3.960 -0.010 0.000 0.339 607 G C -1.202 173.882 174.900 0.306 0.000 1.518 607 G CA -1.061 44.150 45.100 0.185 0.000 0.994 607 G HN 0.646 nan 8.290 nan 0.000 0.668 608 K N -0.075 120.477 120.400 0.254 0.000 2.110 608 K HA 0.763 5.077 4.320 -0.010 0.000 0.263 608 K C 0.403 177.156 176.600 0.255 0.000 0.975 608 K CA -0.104 56.340 56.287 0.262 0.000 0.895 608 K CB 2.041 34.581 32.500 0.066 0.000 1.060 608 K HN 0.936 nan 8.250 nan 0.000 0.448 609 A N 1.419 124.415 122.820 0.294 0.000 2.310 609 A HA 0.599 4.914 4.320 -0.010 0.000 0.299 609 A C -0.310 177.480 177.584 0.343 0.000 1.147 609 A CA -0.651 51.513 52.037 0.212 0.000 0.818 609 A CB 0.721 19.760 19.000 0.066 0.000 1.096 609 A HN 0.780 nan 8.150 nan 0.000 0.495 610 A N 3.680 126.691 122.820 0.319 0.000 2.520 610 A HA 0.505 4.819 4.320 -0.010 0.000 0.245 610 A C -2.344 175.346 177.584 0.175 0.000 1.072 610 A CA -0.918 51.299 52.037 0.299 0.000 0.761 610 A CB -0.722 18.442 19.000 0.273 0.000 1.004 610 A HN 0.585 nan 8.150 nan 0.000 0.499 611 P HA 0.231 nan 4.420 nan 0.000 0.262 611 P C 1.123 178.441 177.300 0.030 0.000 1.182 611 P CA 1.770 64.835 63.100 -0.058 0.000 0.761 611 P CB 0.635 32.220 31.700 -0.192 0.000 0.795 612 G N 2.327 111.150 108.800 0.039 0.000 2.234 612 G HA2 -0.292 3.662 3.960 -0.010 0.000 0.235 612 G HA3 -0.292 3.662 3.960 -0.010 0.000 0.235 612 G C -0.081 174.878 174.900 0.098 0.000 0.997 612 G CA -0.392 44.741 45.100 0.055 0.000 0.623 612 G HN 0.540 nan 8.290 nan 0.000 0.514 613 Y N 3.748 124.012 120.300 -0.060 0.000 2.573 613 Y HA 0.344 4.889 4.550 -0.010 0.000 0.346 613 Y C 1.608 177.488 175.900 -0.033 0.000 1.198 613 Y CA -0.404 57.635 58.100 -0.101 0.000 1.627 613 Y CB -0.936 37.440 38.460 -0.140 0.000 1.457 613 Y HN 0.453 nan 8.280 nan 0.000 0.483 614 H N 3.795 122.982 119.070 0.195 0.000 2.252 614 H HA -0.258 4.292 4.556 -0.010 0.000 0.292 614 H C 1.729 177.076 175.328 0.031 0.000 1.082 614 H CA 2.499 58.601 56.048 0.091 0.000 1.229 614 H CB 0.323 30.128 29.762 0.073 0.000 1.353 614 H HN 0.593 nan 8.280 nan 0.000 0.488 615 M N 1.072 120.625 119.600 -0.079 0.000 2.113 615 M HA -0.199 4.275 4.480 -0.010 0.000 0.255 615 M C 2.695 178.703 176.300 -0.486 0.000 1.073 615 M CA 2.114 57.277 55.300 -0.228 0.000 1.091 615 M CB -1.213 31.401 32.600 0.023 0.000 1.309 615 M HN 0.438 nan 8.290 nan 0.000 0.407 616 A N -0.920 121.281 122.820 -1.032 0.000 1.948 616 A HA -0.236 4.078 4.320 -0.010 0.000 0.220 616 A C 2.241 179.578 177.584 -0.411 0.000 1.177 616 A CA 2.078 53.589 52.037 -0.878 0.000 0.636 616 A CB -0.703 17.498 19.000 -1.331 0.000 0.815 616 A HN 0.600 nan 8.150 nan 0.000 0.449 617 K N -1.411 118.809 120.400 -0.299 0.000 2.155 617 K HA -0.033 4.281 4.320 -0.010 0.000 0.203 617 K C 1.927 178.475 176.600 -0.086 0.000 1.052 617 K CA 1.080 57.297 56.287 -0.116 0.000 0.948 617 K CB -0.200 32.294 32.500 -0.009 0.000 0.728 617 K HN 0.339 nan 8.250 nan 0.000 0.448 618 M N 0.589 120.076 119.600 -0.188 0.000 2.159 618 M HA -0.124 4.350 4.480 -0.010 0.000 0.263 618 M C 2.072 178.286 176.300 -0.143 0.000 1.063 618 M CA 1.506 56.733 55.300 -0.122 0.000 1.110 618 M CB -0.627 31.858 32.600 -0.191 0.000 1.374 618 M HN 0.124 nan 8.290 nan 0.000 0.411 619 I N -0.558 119.883 120.570 -0.216 0.000 2.286 619 I HA -0.252 3.913 4.170 -0.010 0.000 0.245 619 I C 2.214 178.169 176.117 -0.269 0.000 1.104 619 I CA 0.741 61.903 61.300 -0.230 0.000 1.397 619 I CB -0.232 37.635 38.000 -0.222 0.000 1.072 619 I HN 0.147 nan 8.210 nan 0.000 0.417 620 I N 0.851 121.238 120.570 -0.305 0.000 2.194 620 I HA -0.342 3.822 4.170 -0.010 0.000 0.246 620 I C 2.559 178.356 176.117 -0.534 0.000 1.093 620 I CA 1.387 62.386 61.300 -0.502 0.000 1.355 620 I CB -0.358 37.277 38.000 -0.607 0.000 1.046 620 I HN 0.163 nan 8.210 nan 0.000 0.413 621 K N 1.190 121.296 120.400 -0.491 0.000 2.057 621 K HA -0.183 4.131 4.320 -0.010 0.000 0.206 621 K C 1.959 178.357 176.600 -0.337 0.000 1.050 621 K CA 1.372 57.276 56.287 -0.639 0.000 0.935 621 K CB -0.455 31.348 32.500 -1.162 0.000 0.715 621 K HN 0.109 nan 8.250 nan 0.000 0.439 622 L N 0.798 121.846 121.223 -0.291 0.000 2.046 622 L HA -0.046 4.288 4.340 -0.010 0.000 0.208 622 L C 1.896 178.516 176.870 -0.416 0.000 1.077 622 L CA 1.563 56.085 54.840 -0.530 0.000 0.747 622 L CB -0.406 41.206 42.059 -0.745 0.000 0.896 622 L HN 0.278 nan 8.230 nan 0.000 0.432 623 I N -0.715 119.662 120.570 -0.321 0.000 2.099 623 I HA -0.378 3.786 4.170 -0.010 0.000 0.239 623 I C 2.475 178.475 176.117 -0.195 0.000 1.066 623 I CA 2.105 63.275 61.300 -0.218 0.000 1.324 623 I CB -0.977 36.970 38.000 -0.088 0.000 1.037 623 I HN 0.462 nan 8.210 nan 0.000 0.401 624 T N -0.580 113.842 114.554 -0.220 0.000 2.833 624 T HA -0.109 4.235 4.350 -0.010 0.000 0.269 624 T C 1.980 176.606 174.700 -0.122 0.000 1.054 624 T CA 0.963 62.973 62.100 -0.151 0.000 1.135 624 T CB -0.583 68.156 68.868 -0.215 0.000 0.869 624 T HN 0.368 nan 8.240 nan 0.000 0.466 625 A N 2.002 124.735 122.820 -0.145 0.000 1.892 625 A HA -0.005 4.309 4.320 -0.010 0.000 0.218 625 A C 2.381 179.943 177.584 -0.036 0.000 1.188 625 A CA 1.760 53.772 52.037 -0.040 0.000 0.631 625 A CB -0.982 18.071 19.000 0.089 0.000 0.822 625 A HN 0.619 nan 8.150 nan 0.000 0.447 626 I N -0.327 120.106 120.570 -0.228 0.000 2.118 626 I HA -0.266 3.898 4.170 -0.010 0.000 0.241 626 I C 2.746 178.782 176.117 -0.136 0.000 1.070 626 I CA 1.380 62.514 61.300 -0.277 0.000 1.327 626 I CB -0.841 36.906 38.000 -0.423 0.000 1.034 626 I HN 0.399 nan 8.210 nan 0.000 0.405 627 G N 0.409 109.133 108.800 -0.125 0.000 2.442 627 G HA2 -0.262 3.692 3.960 -0.010 0.000 0.219 627 G HA3 -0.262 3.692 3.960 -0.010 0.000 0.219 627 G C 1.229 176.092 174.900 -0.063 0.000 1.141 627 G CA 1.070 46.105 45.100 -0.109 0.000 0.763 627 G HN 0.313 nan 8.290 nan 0.000 0.554 628 D N 0.368 120.779 120.400 0.019 0.000 2.106 628 D HA -0.127 4.507 4.640 -0.010 0.000 0.191 628 D C 2.771 179.145 176.300 0.123 0.000 0.997 628 D CA 1.156 55.232 54.000 0.127 0.000 0.834 628 D CB -0.701 40.136 40.800 0.063 0.000 0.956 628 D HN 0.223 nan 8.370 nan 0.000 0.448 629 V N 0.884 120.796 119.914 -0.003 0.000 2.214 629 V HA -0.243 3.871 4.120 -0.010 0.000 0.245 629 V C 2.753 178.730 176.094 -0.194 0.000 1.047 629 V CA 1.481 63.703 62.300 -0.130 0.000 0.998 629 V CB -0.807 30.877 31.823 -0.232 0.000 0.633 629 V HN 0.038 nan 8.190 nan 0.000 0.446 630 V N 0.861 120.595 119.914 -0.300 0.000 2.252 630 V HA -0.275 3.839 4.120 -0.010 0.000 0.249 630 V C 2.047 177.994 176.094 -0.243 0.000 1.056 630 V CA 2.346 64.439 62.300 -0.345 0.000 1.022 630 V CB -1.032 30.603 31.823 -0.313 0.000 0.641 630 V HN 0.601 nan 8.190 nan 0.000 0.445 631 N N -0.536 117.943 118.700 -0.370 0.000 2.571 631 N HA -0.073 4.661 4.740 -0.010 0.000 0.189 631 N C 1.226 176.164 175.510 -0.954 0.000 1.154 631 N CA 0.832 53.535 53.050 -0.578 0.000 0.907 631 N CB -0.285 37.850 38.487 -0.586 0.000 0.977 631 N HN 0.740 nan 8.380 nan 0.000 0.449 632 H N -1.754 117.312 119.070 -0.006 0.000 3.046 632 H HA 0.174 4.725 4.556 -0.010 0.000 0.262 632 H C -0.235 175.112 175.328 0.032 0.000 1.044 632 H CA -0.557 55.495 56.048 0.006 0.000 1.209 632 H CB 0.584 30.339 29.762 -0.012 0.000 1.507 632 H HN -0.045 nan 8.280 nan 0.000 0.507 633 D N 3.582 124.034 120.400 0.087 0.000 2.368 633 D HA -0.038 4.596 4.640 -0.010 0.000 0.268 633 D C -1.228 175.130 176.300 0.096 0.000 1.298 633 D CA -1.501 52.584 54.000 0.142 0.000 0.938 633 D CB 1.075 42.054 40.800 0.298 0.000 1.101 633 D HN 0.227 nan 8.370 nan 0.000 0.509 634 P HA -0.171 nan 4.420 nan 0.000 0.216 634 P C 1.655 178.981 177.300 0.043 0.000 1.150 634 P CA 0.497 63.630 63.100 0.055 0.000 0.837 634 P CB 0.303 32.031 31.700 0.046 0.000 0.786 635 V N 0.037 119.976 119.914 0.040 0.000 2.380 635 V HA -0.208 3.906 4.120 -0.010 0.000 0.251 635 V C 2.782 178.883 176.094 0.012 0.000 1.063 635 V CA 1.702 64.011 62.300 0.016 0.000 1.055 635 V CB -1.139 30.682 31.823 -0.005 0.000 0.657 635 V HN -0.026 nan 8.190 nan 0.000 0.455 636 V N -0.464 119.474 119.914 0.041 0.000 2.323 636 V HA 0.064 4.178 4.120 -0.010 0.000 0.244 636 V C 1.905 178.010 176.094 0.019 0.000 1.041 636 V CA 1.542 63.867 62.300 0.041 0.000 1.025 636 V CB -1.191 30.706 31.823 0.122 0.000 0.656 636 V HN 0.743 nan 8.190 nan 0.000 0.451 637 G N 1.569 110.385 108.800 0.028 0.000 2.614 637 G HA2 -0.425 3.530 3.960 -0.010 0.000 0.303 637 G HA3 -0.425 3.530 3.960 -0.010 0.000 0.303 637 G C 0.447 175.356 174.900 0.014 0.000 1.270 637 G CA 0.629 45.743 45.100 0.023 0.000 0.988 637 G HN 0.700 nan 8.290 nan 0.000 0.551 638 D N 0.672 121.085 120.400 0.021 0.000 2.325 638 D HA 0.131 4.766 4.640 -0.010 0.000 0.234 638 D C 1.947 178.240 176.300 -0.011 0.000 1.122 638 D CA 0.363 54.377 54.000 0.023 0.000 0.850 638 D CB -0.157 40.679 40.800 0.060 0.000 0.921 638 D HN 0.629 nan 8.370 nan 0.000 0.513 639 R N -0.809 119.672 120.500 -0.031 0.000 2.100 639 R HA 0.225 4.559 4.340 -0.010 0.000 0.220 639 R C 0.192 176.442 176.300 -0.084 0.000 1.091 639 R CA 0.339 56.395 56.100 -0.074 0.000 0.986 639 R CB 0.156 30.404 30.300 -0.088 0.000 0.888 639 R HN 0.141 nan 8.270 nan 0.000 0.444 640 L N 0.083 121.272 121.223 -0.057 0.000 2.455 640 L HA 0.459 4.793 4.340 -0.010 0.000 0.264 640 L C -1.578 175.249 176.870 -0.072 0.000 0.968 640 L CA -0.778 54.021 54.840 -0.069 0.000 0.827 640 L CB 2.103 44.133 42.059 -0.048 0.000 1.317 640 L HN -0.145 nan 8.230 nan 0.000 0.407 641 R N 2.869 123.312 120.500 -0.096 0.000 2.564 641 R HA 0.821 5.155 4.340 -0.010 0.000 0.284 641 R C -1.981 174.243 176.300 -0.126 0.000 1.031 641 R CA -0.561 55.470 56.100 -0.115 0.000 0.904 641 R CB 2.158 32.390 30.300 -0.114 0.000 1.199 641 R HN 0.444 nan 8.270 nan 0.000 0.443 642 V N 6.512 126.348 119.914 -0.129 0.000 2.350 642 V HA 0.480 4.594 4.120 -0.010 0.000 0.285 642 V C -0.080 175.957 176.094 -0.095 0.000 1.014 642 V CA -0.622 61.607 62.300 -0.118 0.000 0.831 642 V CB 0.991 32.738 31.823 -0.126 0.000 1.000 642 V HN 0.685 nan 8.190 nan 0.000 0.433 643 I N 1.168 121.682 120.570 -0.094 0.000 2.608 643 I HA 0.679 4.843 4.170 -0.010 0.000 0.295 643 I C -1.188 174.904 176.117 -0.042 0.000 1.049 643 I CA -0.825 60.437 61.300 -0.063 0.000 1.063 643 I CB 2.196 40.139 38.000 -0.094 0.000 1.248 643 I HN 0.443 nan 8.210 nan 0.000 0.424 644 F N 6.575 126.459 119.950 -0.110 0.000 2.404 644 F HA 0.548 5.069 4.527 -0.009 0.000 0.358 644 F C -0.634 175.106 175.800 -0.098 0.000 1.120 644 F CA -0.547 57.392 58.000 -0.102 0.000 1.144 644 F CB 0.931 39.873 39.000 -0.096 0.000 1.133 644 F HN 0.377 nan 8.300 nan 0.000 0.495 645 L N 6.158 126.942 121.223 -0.732 0.000 2.283 645 L HA 0.252 4.586 4.340 -0.010 0.000 0.287 645 L C 0.328 176.971 176.870 -0.378 0.000 1.073 645 L CA -0.342 54.241 54.840 -0.429 0.000 0.822 645 L CB 0.732 42.627 42.059 -0.272 0.000 1.186 645 L HN 0.612 nan 8.230 nan 0.000 0.436 646 E N 4.129 124.239 120.200 -0.151 0.000 2.384 646 E HA -0.075 4.269 4.350 -0.010 0.000 0.266 646 E C 0.204 176.888 176.600 0.140 0.000 1.012 646 E CA -0.277 56.177 56.400 0.091 0.000 0.901 646 E CB 0.386 30.138 29.700 0.087 0.000 0.967 646 E HN 0.592 nan 8.360 nan 0.000 0.435 647 N N 3.018 121.853 118.700 0.225 0.000 2.708 647 N HA -0.274 4.460 4.740 -0.010 0.000 0.255 647 N C -1.627 173.986 175.510 0.173 0.000 1.046 647 N CA 0.489 53.658 53.050 0.197 0.000 0.715 647 N CB -1.538 37.079 38.487 0.216 0.000 0.895 647 N HN 0.486 nan 8.380 nan 0.000 0.545 648 Y N 1.804 122.122 120.300 0.029 0.000 2.632 648 Y HA 0.232 4.775 4.550 -0.010 0.000 0.329 648 Y C 1.102 177.020 175.900 0.030 0.000 1.174 648 Y CA 0.391 58.492 58.100 0.003 0.000 1.469 648 Y CB 0.338 38.771 38.460 -0.045 0.000 1.242 648 Y HN 0.389 nan 8.280 nan 0.000 0.540 649 R N 2.631 122.815 120.500 -0.527 0.000 2.766 649 R HA 0.446 4.780 4.340 -0.010 0.000 0.270 649 R C -0.313 175.657 176.300 -0.549 0.000 1.035 649 R CA -0.612 55.226 56.100 -0.436 0.000 0.911 649 R CB 0.429 30.660 30.300 -0.115 0.000 1.243 649 R HN 0.377 nan 8.270 nan 0.000 0.460 650 V N 1.090 120.707 119.914 -0.495 0.000 2.278 650 V HA -0.321 3.793 4.120 -0.010 0.000 0.251 650 V C 2.595 178.566 176.094 -0.205 0.000 1.062 650 V CA 2.933 65.026 62.300 -0.344 0.000 1.038 650 V CB -0.850 30.757 31.823 -0.360 0.000 0.646 650 V HN 0.932 nan 8.190 nan 0.000 0.447 651 S N -0.247 115.347 115.700 -0.177 0.000 2.387 651 S HA -0.143 4.321 4.470 -0.010 0.000 0.226 651 S C 1.939 176.496 174.600 -0.072 0.000 1.026 651 S CA 1.457 59.587 58.200 -0.116 0.000 0.972 651 S CB -0.495 62.669 63.200 -0.060 0.000 0.814 651 S HN 0.371 nan 8.310 nan 0.000 0.477 652 L N 2.329 123.523 121.223 -0.048 0.000 2.046 652 L HA 0.181 4.515 4.340 -0.010 0.000 0.208 652 L C 2.777 179.671 176.870 0.039 0.000 1.077 652 L CA 1.575 56.437 54.840 0.037 0.000 0.747 652 L CB -1.454 40.693 42.059 0.146 0.000 0.896 652 L HN 0.379 nan 8.230 nan 0.000 0.432 653 A N -0.492 122.326 122.820 -0.003 0.000 1.903 653 A HA -0.306 4.008 4.320 -0.010 0.000 0.219 653 A C 2.116 179.755 177.584 0.092 0.000 1.191 653 A CA 2.172 54.283 52.037 0.124 0.000 0.638 653 A CB -0.810 18.273 19.000 0.139 0.000 0.823 653 A HN 0.630 nan 8.150 nan 0.000 0.451 654 E N -0.354 119.894 120.200 0.080 0.000 2.209 654 E HA -0.214 4.130 4.350 -0.010 0.000 0.196 654 E C 2.011 178.575 176.600 -0.060 0.000 0.993 654 E CA 1.461 57.856 56.400 -0.008 0.000 0.819 654 E CB -0.136 29.464 29.700 -0.166 0.000 0.745 654 E HN 0.664 nan 8.360 nan 0.000 0.477 655 K N 0.211 120.558 120.400 -0.088 0.000 2.099 655 K HA 0.006 4.320 4.320 -0.010 0.000 0.203 655 K C 2.220 178.634 176.600 -0.309 0.000 1.047 655 K CA 0.716 56.937 56.287 -0.110 0.000 0.963 655 K CB -0.065 32.364 32.500 -0.118 0.000 0.759 655 K HN -0.020 nan 8.250 nan 0.000 0.451 656 V N 1.848 121.464 119.914 -0.497 0.000 2.788 656 V HA -0.079 4.035 4.120 -0.010 0.000 0.251 656 V C 1.820 177.598 176.094 -0.527 0.000 1.068 656 V CA 0.901 62.602 62.300 -0.998 0.000 1.090 656 V CB -0.198 31.026 31.823 -0.998 0.000 0.710 656 V HN 0.232 nan 8.190 nan 0.000 0.467 657 I N 1.104 121.431 120.570 -0.405 0.000 2.099 657 I HA -0.127 4.037 4.170 -0.010 0.000 0.239 657 I C -0.132 175.830 176.117 -0.258 0.000 1.066 657 I CA 1.705 62.700 61.300 -0.508 0.000 1.324 657 I CB -1.816 35.780 38.000 -0.674 0.000 1.037 657 I HN 0.339 nan 8.210 nan 0.000 0.401 658 P HA -0.175 nan 4.420 nan 0.000 0.222 658 P C 0.852 178.134 177.300 -0.030 0.000 1.142 658 P CA 1.476 64.539 63.100 -0.062 0.000 0.788 658 P CB -0.051 31.629 31.700 -0.035 0.000 0.767 659 A N -1.631 121.158 122.820 -0.052 0.000 2.308 659 A HA 0.511 4.825 4.320 -0.010 0.000 0.217 659 A C 1.145 178.822 177.584 0.155 0.000 1.216 659 A CA 0.157 52.231 52.037 0.062 0.000 0.864 659 A CB -0.439 18.646 19.000 0.143 0.000 0.902 659 A HN 0.212 nan 8.150 nan 0.000 0.499 660 A N -0.158 122.743 122.820 0.134 0.000 2.304 660 A HA 0.519 4.833 4.320 -0.010 0.000 0.301 660 A C 0.285 178.010 177.584 0.235 0.000 1.132 660 A CA -0.302 51.884 52.037 0.247 0.000 0.819 660 A CB 0.464 19.686 19.000 0.369 0.000 1.094 660 A HN 0.214 nan 8.150 nan 0.000 0.492 661 D N 0.151 120.692 120.400 0.235 0.000 2.269 661 D HA 0.085 4.719 4.640 -0.010 0.000 0.220 661 D C -0.112 176.439 176.300 0.417 0.000 0.962 661 D CA 1.067 55.263 54.000 0.328 0.000 0.884 661 D CB 0.110 40.990 40.800 0.133 0.000 1.023 661 D HN 0.334 nan 8.370 nan 0.000 0.484 662 L N 0.445 121.803 121.223 0.224 0.000 2.356 662 L HA 0.353 4.688 4.340 -0.010 0.000 0.277 662 L C -0.707 176.102 176.870 -0.102 0.000 0.996 662 L CA -0.532 54.371 54.840 0.105 0.000 0.822 662 L CB 2.077 44.172 42.059 0.061 0.000 1.256 662 L HN -0.281 nan 8.230 nan 0.000 0.413 663 S N 4.105 119.639 115.700 -0.277 0.000 2.422 663 S HA 0.430 4.894 4.470 -0.010 0.000 0.298 663 S C -0.545 173.780 174.600 -0.458 0.000 1.118 663 S CA -0.613 57.149 58.200 -0.729 0.000 1.083 663 S CB 0.255 62.892 63.200 -0.939 0.000 0.971 663 S HN 0.618 nan 8.310 nan 0.000 0.478 664 E N 3.980 123.925 120.200 -0.425 0.000 2.130 664 E HA 0.226 4.570 4.350 -0.010 0.000 0.284 664 E C -0.524 175.976 176.600 -0.166 0.000 1.018 664 E CA -0.414 55.879 56.400 -0.178 0.000 0.817 664 E CB 1.123 30.747 29.700 -0.126 0.000 1.078 664 E HN 0.606 nan 8.360 nan 0.000 0.396 665 Q N 2.898 122.664 119.800 -0.057 0.000 3.075 665 Q HA 0.246 4.580 4.340 -0.010 0.000 0.318 665 Q C 0.770 176.782 176.000 0.020 0.000 0.907 665 Q CA -0.087 55.694 55.803 -0.038 0.000 0.882 665 Q CB 0.229 28.944 28.738 -0.039 0.000 1.386 665 Q HN 0.643 nan 8.270 nan 0.000 0.408 666 I N -2.101 118.472 120.570 0.004 0.000 3.927 666 I HA 0.243 4.407 4.170 -0.010 0.000 0.332 666 I C 0.590 176.691 176.117 -0.026 0.000 1.485 666 I CA -0.500 60.823 61.300 0.037 0.000 1.131 666 I CB 0.518 38.510 38.000 -0.014 0.000 1.092 666 I HN 0.032 nan 8.210 nan 0.000 0.410 667 S N 1.127 116.805 115.700 -0.035 0.000 2.576 667 S HA 0.156 4.621 4.470 -0.010 0.000 0.272 667 S C 0.576 175.181 174.600 0.009 0.000 1.352 667 S CA -0.201 57.995 58.200 -0.007 0.000 1.021 667 S CB 0.242 63.481 63.200 0.064 0.000 0.887 667 S HN 0.378 nan 8.310 nan 0.000 0.542 668 T N 2.678 117.270 114.554 0.064 0.000 2.905 668 T HA 0.360 4.704 4.350 -0.010 0.000 0.299 668 T C 0.734 175.447 174.700 0.020 0.000 1.024 668 T CA 0.313 62.448 62.100 0.058 0.000 1.151 668 T CB -0.194 68.776 68.868 0.170 0.000 0.987 668 T HN 1.057 nan 8.240 nan 0.000 0.535 669 A N 2.688 125.486 122.820 -0.037 0.000 2.567 669 A HA 0.457 4.771 4.320 -0.010 0.000 0.240 669 A C 1.643 179.215 177.584 -0.020 0.000 1.053 669 A CA 0.222 52.232 52.037 -0.045 0.000 0.755 669 A CB -0.895 18.064 19.000 -0.069 0.000 0.978 669 A HN 1.859 nan 8.150 nan 0.000 0.507 670 G N 1.406 110.191 108.800 -0.025 0.000 2.141 670 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.242 670 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.242 670 G C 0.738 175.617 174.900 -0.036 0.000 0.982 670 G CA 1.216 46.301 45.100 -0.025 0.000 0.662 670 G HN 2.043 nan 8.290 nan 0.000 0.527 671 T N -2.994 111.535 114.554 -0.043 0.000 2.987 671 T HA 0.405 4.750 4.350 -0.010 0.000 0.248 671 T C 0.698 175.193 174.700 -0.342 0.000 0.997 671 T CA 0.900 62.903 62.100 -0.163 0.000 1.013 671 T CB 0.569 69.413 68.868 -0.041 0.000 1.077 671 T HN 0.243 nan 8.240 nan 0.000 0.483 672 E N 1.844 122.000 120.200 -0.074 0.000 2.029 672 E HA 0.626 4.970 4.350 -0.010 0.000 0.276 672 E C 1.259 177.791 176.600 -0.113 0.000 1.163 672 E CA 0.148 56.548 56.400 -0.001 0.000 0.909 672 E CB 0.625 30.402 29.700 0.128 0.000 1.046 672 E HN 0.393 nan 8.360 nan 0.000 0.406 673 A N 3.379 126.053 122.820 -0.242 0.000 1.948 673 A HA -0.229 4.086 4.320 -0.010 0.000 0.220 673 A C 1.939 179.387 177.584 -0.226 0.000 1.177 673 A CA 2.277 54.047 52.037 -0.445 0.000 0.636 673 A CB -0.186 18.273 19.000 -0.902 0.000 0.815 673 A HN 0.631 nan 8.150 nan 0.000 0.449 674 S N -4.140 111.485 115.700 -0.125 0.000 4.772 674 S HA 0.449 4.913 4.470 -0.010 0.000 0.177 674 S C 0.742 175.321 174.600 -0.035 0.000 1.117 674 S CA 1.364 59.534 58.200 -0.051 0.000 1.250 674 S CB -0.273 62.919 63.200 -0.014 0.000 1.749 674 S HN 2.325 nan 8.310 nan 0.000 0.589 675 G N 0.201 108.990 108.800 -0.019 0.000 2.712 675 G HA2 0.044 3.998 3.960 -0.010 0.000 0.686 675 G HA3 0.044 3.998 3.960 -0.010 0.000 0.686 675 G C 0.276 175.156 174.900 -0.034 0.000 1.321 675 G CA 0.376 45.467 45.100 -0.015 0.000 0.813 675 G HN 1.571 nan 8.290 nan 0.000 0.599 676 T N -2.705 111.819 114.554 -0.051 0.000 3.100 676 T HA 0.381 4.725 4.350 -0.010 0.000 0.255 676 T C 2.395 176.996 174.700 -0.165 0.000 0.893 676 T CA 1.386 63.427 62.100 -0.099 0.000 0.882 676 T CB 0.064 68.865 68.868 -0.112 0.000 1.266 676 T HN 2.012 nan 8.240 nan 0.000 0.528 677 G N 3.598 112.327 108.800 -0.117 0.000 2.476 677 G HA2 -0.329 3.625 3.960 -0.010 0.000 0.218 677 G HA3 -0.329 3.625 3.960 -0.010 0.000 0.218 677 G C 1.561 176.537 174.900 0.128 0.000 1.164 677 G CA 1.606 46.687 45.100 -0.032 0.000 0.768 677 G HN 0.713 nan 8.290 nan 0.000 0.560 678 N N 1.087 119.815 118.700 0.047 0.000 2.036 678 N HA -0.201 4.533 4.740 -0.010 0.000 0.199 678 N C 1.499 177.014 175.510 0.008 0.000 1.036 678 N CA 1.366 54.424 53.050 0.013 0.000 0.870 678 N CB -0.852 37.604 38.487 -0.052 0.000 1.055 678 N HN 0.430 nan 8.380 nan 0.000 0.436 682 M N 0.439 120.116 119.600 0.128 0.000 2.088 682 M HA -0.268 4.206 4.480 -0.010 0.000 0.256 682 M C 2.137 178.483 176.300 0.076 0.000 1.071 682 M CA 2.035 57.373 55.300 0.063 0.000 1.097 682 M CB -0.304 32.337 32.600 0.068 0.000 1.315 682 M HN 0.324 nan 8.290 nan 0.000 0.406 683 L N 0.806 122.080 121.223 0.085 0.000 2.137 683 L HA -0.244 4.090 4.340 -0.010 0.000 0.213 683 L C 1.459 178.369 176.870 0.067 0.000 1.085 683 L CA 1.897 56.792 54.840 0.092 0.000 0.760 683 L CB -0.811 41.313 42.059 0.108 0.000 0.893 683 L HN 0.412 nan 8.230 nan 0.000 0.434 684 N N -0.736 117.995 118.700 0.051 0.000 2.214 684 N HA 0.193 4.927 4.740 -0.010 0.000 0.214 684 N C 0.762 176.296 175.510 0.039 0.000 1.132 684 N CA 0.799 53.870 53.050 0.035 0.000 0.856 684 N CB 0.618 39.107 38.487 0.004 0.000 1.020 684 N HN 0.383 nan 8.380 nan 0.000 0.509 685 G N 0.717 109.545 108.800 0.047 0.000 2.255 685 G HA2 -0.149 3.805 3.960 -0.010 0.000 0.239 685 G HA3 -0.149 3.805 3.960 -0.010 0.000 0.239 685 G C -0.125 174.834 174.900 0.097 0.000 1.083 685 G CA 0.084 45.210 45.100 0.042 0.000 0.826 685 G HN 0.493 nan 8.290 nan 0.000 0.493 686 A N -0.251 122.634 122.820 0.110 0.000 2.325 686 A HA 0.896 5.210 4.320 -0.010 0.000 0.333 686 A C 0.423 178.002 177.584 -0.009 0.000 1.155 686 A CA -0.678 51.449 52.037 0.149 0.000 0.814 686 A CB 1.046 20.196 19.000 0.249 0.000 1.206 686 A HN 0.783 nan 8.150 nan 0.000 0.482 687 L N 0.860 122.057 121.223 -0.044 0.000 2.399 687 L HA 0.419 4.753 4.340 -0.010 0.000 0.266 687 L C 0.133 176.887 176.870 -0.195 0.000 1.114 687 L CA -0.296 54.394 54.840 -0.250 0.000 0.804 687 L CB 1.419 43.212 42.059 -0.442 0.000 1.146 687 L HN 0.677 nan 8.230 nan 0.000 0.451 688 T N 3.143 117.461 114.554 -0.394 0.000 2.772 688 T HA 0.410 4.754 4.350 -0.010 0.000 0.288 688 T C -0.207 174.490 174.700 -0.005 0.000 0.994 688 T CA -0.267 61.660 62.100 -0.290 0.000 0.951 688 T CB 1.190 69.782 68.868 -0.460 0.000 0.933 688 T HN 0.344 nan 8.240 nan 0.000 0.447 689 I N 3.192 123.815 120.570 0.089 0.000 2.395 689 I HA 0.660 4.824 4.170 -0.010 0.000 0.289 689 I C 0.424 176.719 176.117 0.296 0.000 1.023 689 I CA 0.396 61.854 61.300 0.262 0.000 1.350 689 I CB 0.284 38.363 38.000 0.131 0.000 1.409 689 I HN 0.760 nan 8.210 nan 0.000 0.507 690 G N 3.985 113.032 108.800 0.411 0.000 2.600 690 G HA2 0.451 4.405 3.960 -0.010 0.000 0.293 690 G HA3 0.451 4.405 3.960 -0.010 0.000 0.293 690 G C -0.997 173.836 174.900 -0.113 0.000 1.408 690 G CA -0.336 44.910 45.100 0.243 0.000 0.782 690 G HN 0.613 nan 8.290 nan 0.000 0.482 691 T N -1.355 113.027 114.554 -0.287 0.000 2.918 691 T HA 0.483 4.827 4.350 -0.010 0.000 0.283 691 T C 0.834 175.423 174.700 -0.184 0.000 1.001 691 T CA -0.703 61.161 62.100 -0.393 0.000 1.041 691 T CB 1.141 69.814 68.868 -0.326 0.000 1.028 691 T HN 0.294 nan 8.240 nan 0.000 0.511 692 M N 3.067 122.559 119.600 -0.180 0.000 3.447 692 M HA 0.240 4.714 4.480 -0.010 0.000 0.217 692 M C -0.330 175.907 176.300 -0.104 0.000 1.597 692 M CA 0.325 55.547 55.300 -0.130 0.000 1.695 692 M CB -2.149 30.381 32.600 -0.118 0.000 1.196 692 M HN 0.727 nan 8.290 nan 0.000 0.538 693 D N -0.139 120.207 120.400 -0.091 0.000 2.601 693 D HA 0.680 5.315 4.640 -0.010 0.000 0.230 693 D C 0.726 176.994 176.300 -0.053 0.000 1.106 693 D CA 0.830 54.792 54.000 -0.063 0.000 0.873 693 D CB 1.697 42.466 40.800 -0.051 0.000 1.515 693 D HN 0.573 nan 8.370 nan 0.000 0.468 694 G N 1.767 110.543 108.800 -0.041 0.000 2.651 694 G HA2 -0.231 3.723 3.960 -0.010 0.000 0.315 694 G HA3 -0.231 3.723 3.960 -0.010 0.000 0.315 694 G C 0.868 175.746 174.900 -0.037 0.000 1.258 694 G CA 1.146 46.224 45.100 -0.037 0.000 1.002 694 G HN 1.110 nan 8.290 nan 0.000 0.551 695 A N -0.250 122.539 122.820 -0.052 0.000 2.308 695 A HA 0.319 4.633 4.320 -0.010 0.000 0.217 695 A C 1.963 179.446 177.584 -0.168 0.000 1.216 695 A CA 1.336 53.330 52.037 -0.073 0.000 0.864 695 A CB -0.211 18.750 19.000 -0.064 0.000 0.902 695 A HN 0.560 nan 8.150 nan 0.000 0.499 696 N N 0.875 119.497 118.700 -0.131 0.000 2.060 696 N HA -0.180 4.554 4.740 -0.010 0.000 0.195 696 N C 1.657 177.024 175.510 -0.238 0.000 1.028 696 N CA 1.789 54.766 53.050 -0.123 0.000 0.861 696 N CB -0.637 37.816 38.487 -0.057 0.000 1.029 696 N HN 0.263 nan 8.380 nan 0.000 0.428 697 V N 1.149 120.961 119.914 -0.170 0.000 2.324 697 V HA -0.228 3.886 4.120 -0.010 0.000 0.250 697 V C 1.986 177.983 176.094 -0.162 0.000 1.060 697 V CA 1.773 63.972 62.300 -0.169 0.000 1.042 697 V CB -0.501 31.262 31.823 -0.099 0.000 0.650 697 V HN 0.373 nan 8.190 nan 0.000 0.450 698 E N -0.711 119.438 120.200 -0.085 0.000 2.170 698 E HA -0.076 4.268 4.350 -0.010 0.000 0.191 698 E C 2.220 178.880 176.600 0.101 0.000 0.981 698 E CA 0.846 57.279 56.400 0.054 0.000 0.830 698 E CB -0.148 29.687 29.700 0.225 0.000 0.775 698 E HN 0.563 nan 8.360 nan 0.000 0.470 699 M N 0.644 120.161 119.600 -0.139 0.000 2.067 699 M HA -0.148 4.327 4.480 -0.010 0.000 0.260 699 M C 2.573 178.513 176.300 -0.599 0.000 1.069 699 M CA 1.574 56.740 55.300 -0.223 0.000 1.117 699 M CB -0.365 32.074 32.600 -0.268 0.000 1.334 699 M HN 0.124 nan 8.290 nan 0.000 0.407 700 A N 0.358 122.380 122.820 -1.330 0.000 1.884 700 A HA -0.297 4.017 4.320 -0.010 0.000 0.219 700 A C 2.031 179.367 177.584 -0.413 0.000 1.197 700 A CA 2.393 53.748 52.037 -1.136 0.000 0.637 700 A CB -1.101 17.404 19.000 -0.824 0.000 0.827 700 A HN 0.616 nan 8.150 nan 0.000 0.450 701 E N -0.726 119.325 120.200 -0.248 0.000 2.097 701 E HA -0.255 4.089 4.350 -0.010 0.000 0.196 701 E C 1.952 178.525 176.600 -0.044 0.000 1.000 701 E CA 1.483 57.818 56.400 -0.109 0.000 0.804 701 E CB -0.094 29.569 29.700 -0.061 0.000 0.740 701 E HN 0.616 nan 8.360 nan 0.000 0.454 702 E N -0.118 120.093 120.200 0.018 0.000 2.051 702 E HA -0.166 4.178 4.350 -0.010 0.000 0.192 702 E C 1.879 178.522 176.600 0.072 0.000 0.991 702 E CA 1.216 57.665 56.400 0.082 0.000 0.799 702 E CB -0.247 29.586 29.700 0.222 0.000 0.748 702 E HN 0.369 nan 8.360 nan 0.000 0.449 703 A N 0.396 123.270 122.820 0.091 0.000 2.072 703 A HA 0.312 4.626 4.320 -0.010 0.000 0.216 703 A C 1.108 178.725 177.584 0.055 0.000 1.156 703 A CA 1.067 53.181 52.037 0.128 0.000 0.701 703 A CB -0.157 19.037 19.000 0.324 0.000 0.816 703 A HN 0.266 nan 8.150 nan 0.000 0.458 704 G N -0.377 108.421 108.800 -0.004 0.000 2.999 704 G HA2 -0.152 3.802 3.960 -0.010 0.000 0.686 704 G HA3 -0.152 3.802 3.960 -0.010 0.000 0.686 704 G C 0.029 174.913 174.900 -0.028 0.000 1.057 704 G CA 0.059 45.142 45.100 -0.028 0.000 0.784 704 G HN 0.353 nan 8.290 nan 0.000 0.575 705 E N 0.715 120.871 120.200 -0.074 0.000 2.267 705 E HA -0.201 4.143 4.350 -0.010 0.000 0.197 705 E C 2.348 178.918 176.600 -0.051 0.000 0.998 705 E CA 1.245 57.604 56.400 -0.069 0.000 0.830 705 E CB 0.081 29.734 29.700 -0.078 0.000 0.751 705 E HN 0.791 nan 8.360 nan 0.000 0.491 706 E N 0.965 121.132 120.200 -0.055 0.000 2.333 706 E HA -0.194 4.150 4.350 -0.010 0.000 0.198 706 E C 0.902 177.421 176.600 -0.135 0.000 1.007 706 E CA 0.930 57.281 56.400 -0.082 0.000 0.845 706 E CB -0.103 29.564 29.700 -0.056 0.000 0.766 706 E HN 0.241 nan 8.360 nan 0.000 0.507 707 N N -0.547 118.104 118.700 -0.082 0.000 2.205 707 N HA 0.141 4.875 4.740 -0.010 0.000 0.201 707 N C -0.754 174.657 175.510 -0.165 0.000 1.128 707 N CA 0.028 53.004 53.050 -0.123 0.000 0.867 707 N CB 0.333 38.803 38.487 -0.029 0.000 0.996 707 N HN 0.022 nan 8.380 nan 0.000 0.503 708 F N -0.415 119.314 119.950 -0.369 0.000 2.556 708 F HA 0.416 4.937 4.527 -0.011 0.000 0.327 708 F C -0.003 175.451 175.800 -0.575 0.000 1.059 708 F CA -1.103 56.682 58.000 -0.359 0.000 0.953 708 F CB 0.980 39.877 39.000 -0.171 0.000 1.227 708 F HN -0.221 nan 8.300 nan 0.000 0.478 709 F N 3.725 123.736 119.950 0.102 0.000 2.560 709 F HA 0.305 4.826 4.527 -0.010 0.000 0.338 709 F C -0.022 175.923 175.800 0.242 0.000 1.201 709 F CA -0.611 57.463 58.000 0.124 0.000 1.291 709 F CB -0.546 38.474 39.000 0.034 0.000 1.627 709 F HN -0.009 nan 8.300 nan 0.000 0.588 710 I N 3.164 123.904 120.570 0.283 0.000 2.533 710 I HA 0.064 4.228 4.170 -0.010 0.000 0.284 710 I C 0.112 176.350 176.117 0.202 0.000 1.109 710 I CA -0.025 61.377 61.300 0.170 0.000 1.412 710 I CB -0.544 37.476 38.000 0.033 0.000 1.396 710 I HN 0.258 nan 8.210 nan 0.000 0.543 711 F N 3.710 123.723 119.950 0.104 0.000 2.675 711 F HA 0.874 5.395 4.527 -0.010 0.000 0.324 711 F C 0.418 176.256 175.800 0.062 0.000 1.106 711 F CA -0.311 57.743 58.000 0.091 0.000 0.970 711 F CB 0.941 40.014 39.000 0.122 0.000 1.385 711 F HN 0.751 nan 8.300 nan 0.000 0.489 712 G N 1.183 109.991 108.800 0.014 0.000 2.641 712 G HA2 -0.225 3.729 3.960 -0.010 0.000 0.254 712 G HA3 -0.225 3.729 3.960 -0.010 0.000 0.254 712 G C -0.507 174.342 174.900 -0.085 0.000 1.315 712 G CA -0.249 44.845 45.100 -0.010 0.000 0.907 712 G HN 0.973 nan 8.290 nan 0.000 0.572 713 M N 0.376 119.939 119.600 -0.061 0.000 2.248 713 M HA 0.276 4.750 4.480 -0.010 0.000 0.345 713 M C 1.090 177.341 176.300 -0.081 0.000 1.243 713 M CA 0.179 55.452 55.300 -0.044 0.000 1.090 713 M CB 0.444 33.024 32.600 -0.033 0.000 1.683 713 M HN 0.543 nan 8.290 nan 0.000 0.450 714 R N 1.330 121.796 120.500 -0.056 0.000 2.580 714 R HA 0.230 4.564 4.340 -0.010 0.000 0.267 714 R C 1.096 177.368 176.300 -0.048 0.000 1.125 714 R CA -0.506 55.558 56.100 -0.060 0.000 1.188 714 R CB 0.096 30.368 30.300 -0.047 0.000 1.155 714 R HN 0.561 nan 8.270 nan 0.000 0.586 715 V N 1.467 121.353 119.914 -0.047 0.000 2.407 715 V HA -0.255 3.860 4.120 -0.010 0.000 0.248 715 V C 2.022 178.097 176.094 -0.031 0.000 1.055 715 V CA 2.329 64.605 62.300 -0.040 0.000 1.049 715 V CB -0.738 31.061 31.823 -0.041 0.000 0.662 715 V HN 0.830 nan 8.190 nan 0.000 0.455 716 E N 0.073 120.257 120.200 -0.027 0.000 2.153 716 E HA -0.262 4.082 4.350 -0.010 0.000 0.194 716 E C 1.451 178.047 176.600 -0.007 0.000 0.988 716 E CA 1.675 58.065 56.400 -0.017 0.000 0.811 716 E CB -0.402 29.288 29.700 -0.016 0.000 0.746 716 E HN 0.586 nan 8.360 nan 0.000 0.466 717 D N 1.124 121.520 120.400 -0.006 0.000 2.234 717 D HA -0.063 4.571 4.640 -0.010 0.000 0.205 717 D C 2.224 178.528 176.300 0.006 0.000 0.962 717 D CA 0.740 54.745 54.000 0.010 0.000 0.855 717 D CB 0.069 40.878 40.800 0.014 0.000 0.951 717 D HN 0.135 nan 8.370 nan 0.000 0.500 718 V N 1.846 121.750 119.914 -0.017 0.000 2.295 718 V HA -0.221 3.893 4.120 -0.010 0.000 0.246 718 V C 1.987 178.069 176.094 -0.021 0.000 1.049 718 V CA 1.742 64.022 62.300 -0.034 0.000 1.024 718 V CB -0.389 31.405 31.823 -0.049 0.000 0.648 718 V HN 0.033 nan 8.190 nan 0.000 0.447 719 D N -0.162 120.228 120.400 -0.016 0.000 2.097 719 D HA -0.143 4.491 4.640 -0.010 0.000 0.195 719 D C 2.414 178.718 176.300 0.006 0.000 0.989 719 D CA 1.266 55.260 54.000 -0.009 0.000 0.827 719 D CB -0.286 40.506 40.800 -0.013 0.000 0.966 719 D HN 0.363 nan 8.370 nan 0.000 0.456 720 R N 0.249 120.757 120.500 0.014 0.000 2.080 720 R HA -0.087 4.247 4.340 -0.010 0.000 0.236 720 R C 2.602 178.931 176.300 0.049 0.000 1.137 720 R CA 0.618 56.735 56.100 0.029 0.000 0.943 720 R CB -0.644 29.675 30.300 0.031 0.000 0.846 720 R HN 0.203 nan 8.270 nan 0.000 0.431 721 L N 0.979 122.238 121.223 0.061 0.000 2.051 721 L HA -0.294 4.040 4.340 -0.010 0.000 0.214 721 L C 1.761 178.689 176.870 0.096 0.000 1.076 721 L CA 1.496 56.398 54.840 0.103 0.000 0.758 721 L CB -0.408 41.717 42.059 0.109 0.000 0.890 721 L HN 0.292 nan 8.230 nan 0.000 0.433 722 D N -0.985 119.445 120.400 0.049 0.000 2.123 722 D HA -0.184 4.450 4.640 -0.010 0.000 0.200 722 D C 2.186 178.510 176.300 0.040 0.000 0.976 722 D CA 0.907 54.931 54.000 0.039 0.000 0.831 722 D CB -0.164 40.638 40.800 0.004 0.000 0.974 722 D HN 0.417 nan 8.370 nan 0.000 0.469 723 Q N 0.146 119.965 119.800 0.032 0.000 2.133 723 Q HA -0.211 4.123 4.340 -0.010 0.000 0.208 723 Q C 2.107 178.128 176.000 0.035 0.000 0.991 723 Q CA 1.898 57.718 55.803 0.028 0.000 0.867 723 Q CB -0.039 28.713 28.738 0.023 0.000 0.911 723 Q HN 0.371 nan 8.270 nan 0.000 0.417 724 R N -1.578 118.952 120.500 0.049 0.000 2.282 724 R HA 0.311 4.645 4.340 -0.010 0.000 0.195 724 R C 0.077 176.411 176.300 0.057 0.000 0.909 724 R CA 0.577 56.706 56.100 0.048 0.000 1.039 724 R CB 0.749 31.080 30.300 0.052 0.000 1.015 724 R HN 0.071 nan 8.270 nan 0.000 0.513 725 G N 1.020 109.869 108.800 0.081 0.000 3.305 725 G HA2 -0.170 3.785 3.960 -0.010 0.000 0.649 725 G HA3 -0.170 3.785 3.960 -0.010 0.000 0.649 725 G C -1.627 173.367 174.900 0.156 0.000 1.255 725 G CA -0.750 44.405 45.100 0.091 0.000 1.137 725 G HN 0.235 nan 8.290 nan 0.000 0.535 726 Y N 3.022 123.341 120.300 0.031 0.000 2.496 726 Y HA 0.531 5.075 4.550 -0.010 0.000 0.334 726 Y C 0.345 176.275 175.900 0.049 0.000 1.080 726 Y CA -0.686 57.444 58.100 0.049 0.000 1.355 726 Y CB 1.068 39.527 38.460 -0.001 0.000 1.193 726 Y HN 0.553 nan 8.280 nan 0.000 0.523 727 N N 4.983 123.425 118.700 -0.430 0.000 2.696 727 N HA 0.315 5.049 4.740 -0.010 0.000 0.246 727 N C 0.430 175.704 175.510 -0.392 0.000 1.057 727 N CA 0.330 53.164 53.050 -0.361 0.000 0.867 727 N CB 0.857 39.275 38.487 -0.116 0.000 1.141 727 N HN 0.782 nan 8.380 nan 0.000 0.517 728 A N 2.401 124.819 122.820 -0.669 0.000 1.958 728 A HA -0.251 4.063 4.320 -0.010 0.000 0.221 728 A C 1.877 179.592 177.584 0.219 0.000 1.178 728 A CA 1.793 53.653 52.037 -0.295 0.000 0.642 728 A CB -0.460 18.231 19.000 -0.514 0.000 0.816 728 A HN 0.678 nan 8.150 nan 0.000 0.453 729 Q N -0.039 119.790 119.800 0.047 0.000 2.170 729 Q HA -0.190 4.144 4.340 -0.010 0.000 0.203 729 Q C 1.868 177.978 176.000 0.184 0.000 0.976 729 Q CA 2.084 57.958 55.803 0.118 0.000 0.858 729 Q CB -0.335 28.403 28.738 -0.000 0.000 0.907 729 Q HN 0.788 nan 8.270 nan 0.000 0.433 730 E N -1.297 118.957 120.200 0.090 0.000 2.058 730 E HA -0.238 4.106 4.350 -0.010 0.000 0.194 730 E C 1.502 178.049 176.600 -0.089 0.000 0.997 730 E CA 1.495 57.864 56.400 -0.052 0.000 0.801 730 E CB -0.219 29.369 29.700 -0.188 0.000 0.746 730 E HN 0.573 nan 8.360 nan 0.000 0.450 731 Y N -0.861 119.531 120.300 0.153 0.000 2.145 731 Y HA -0.239 4.305 4.550 -0.010 0.000 0.286 731 Y C 2.285 178.224 175.900 0.065 0.000 1.145 731 Y CA 1.627 59.823 58.100 0.159 0.000 1.148 731 Y CB -0.938 37.701 38.460 0.297 0.000 0.981 731 Y HN 0.215 nan 8.280 nan 0.000 0.507 732 Y N 1.457 121.849 120.300 0.153 0.000 2.062 732 Y HA -0.376 4.168 4.550 -0.010 0.000 0.276 732 Y C 2.091 177.983 175.900 -0.014 0.000 1.189 732 Y CA 2.161 60.258 58.100 -0.004 0.000 1.130 732 Y CB -0.489 38.025 38.460 0.090 0.000 0.959 732 Y HN 0.112 nan 8.280 nan 0.000 0.499 733 D N -0.555 119.941 120.400 0.161 0.000 2.144 733 D HA -0.130 4.504 4.640 -0.010 0.000 0.199 733 D C 2.169 178.451 176.300 -0.029 0.000 0.984 733 D CA 1.389 55.430 54.000 0.069 0.000 0.834 733 D CB -0.224 40.642 40.800 0.111 0.000 0.955 733 D HN 0.444 nan 8.370 nan 0.000 0.465 734 R N -0.375 120.107 120.500 -0.031 0.000 2.240 734 R HA 0.215 4.549 4.340 -0.010 0.000 0.203 734 R C 0.376 176.651 176.300 -0.042 0.000 1.011 734 R CA 0.376 56.453 56.100 -0.037 0.000 1.007 734 R CB 0.633 30.905 30.300 -0.047 0.000 0.911 734 R HN 0.162 nan 8.270 nan 0.000 0.468 735 I N 1.279 121.799 120.570 -0.083 0.000 2.466 735 I HA 0.214 4.379 4.170 -0.010 0.000 0.279 735 I C -2.035 173.982 176.117 -0.166 0.000 1.033 735 I CA -2.346 58.914 61.300 -0.066 0.000 1.123 735 I CB 2.197 40.201 38.000 0.006 0.000 1.237 735 I HN -0.282 nan 8.210 nan 0.000 0.460 736 P HA -0.149 nan 4.420 nan 0.000 0.218 736 P C 1.157 178.376 177.300 -0.135 0.000 1.148 736 P CA 1.346 64.359 63.100 -0.145 0.000 0.822 736 P CB 0.360 32.007 31.700 -0.089 0.000 0.784 737 E N -0.856 119.303 120.200 -0.069 0.000 2.072 737 E HA -0.148 4.196 4.350 -0.010 0.000 0.191 737 E C 1.864 178.389 176.600 -0.124 0.000 0.985 737 E CA 0.717 57.097 56.400 -0.033 0.000 0.801 737 E CB -0.613 29.139 29.700 0.086 0.000 0.750 737 E HN 0.135 nan 8.360 nan 0.000 0.452 738 L N 1.095 122.155 121.223 -0.272 0.000 2.093 738 L HA -0.099 4.235 4.340 -0.010 0.000 0.208 738 L C 2.266 178.855 176.870 -0.468 0.000 1.085 738 L CA 1.581 56.065 54.840 -0.594 0.000 0.755 738 L CB -0.198 41.311 42.059 -0.916 0.000 0.904 738 L HN -0.118 nan 8.230 nan 0.000 0.435 739 R N -0.723 119.483 120.500 -0.490 0.000 2.096 739 R HA -0.226 4.108 4.340 -0.010 0.000 0.235 739 R C 2.443 178.609 176.300 -0.223 0.000 1.127 739 R CA 1.840 57.623 56.100 -0.528 0.000 0.968 739 R CB -0.295 29.602 30.300 -0.672 0.000 0.861 739 R HN 0.640 nan 8.270 nan 0.000 0.440 740 Q N 0.218 119.912 119.800 -0.176 0.000 2.124 740 Q HA -0.163 4.171 4.340 -0.010 0.000 0.202 740 Q C 1.880 177.842 176.000 -0.064 0.000 0.977 740 Q CA 1.691 57.429 55.803 -0.107 0.000 0.850 740 Q CB -0.005 28.672 28.738 -0.101 0.000 0.901 740 Q HN 0.444 nan 8.270 nan 0.000 0.429 741 I N 0.290 120.827 120.570 -0.055 0.000 2.233 741 I HA -0.243 3.921 4.170 -0.010 0.000 0.243 741 I C 1.943 178.106 176.117 0.078 0.000 1.093 741 I CA 0.388 61.705 61.300 0.028 0.000 1.380 741 I CB -0.251 37.742 38.000 -0.010 0.000 1.067 741 I HN 0.255 nan 8.210 nan 0.000 0.413 742 I N 0.853 121.451 120.570 0.046 0.000 2.248 742 I HA -0.259 3.905 4.170 -0.010 0.000 0.248 742 I C 2.550 178.770 176.117 0.172 0.000 1.107 742 I CA 1.608 62.999 61.300 0.151 0.000 1.373 742 I CB -1.376 36.788 38.000 0.273 0.000 1.055 742 I HN 0.292 nan 8.210 nan 0.000 0.418 743 E N 0.581 120.859 120.200 0.131 0.000 2.072 743 E HA -0.181 4.163 4.350 -0.010 0.000 0.191 743 E C 2.153 178.819 176.600 0.109 0.000 0.985 743 E CA 0.792 57.261 56.400 0.115 0.000 0.801 743 E CB -0.379 29.367 29.700 0.076 0.000 0.750 743 E HN 0.562 nan 8.360 nan 0.000 0.452 744 Q N 0.516 120.367 119.800 0.086 0.000 2.029 744 Q HA -0.179 4.155 4.340 -0.010 0.000 0.209 744 Q C 2.479 178.674 176.000 0.325 0.000 0.999 744 Q CA 1.642 57.521 55.803 0.126 0.000 0.857 744 Q CB -0.394 28.403 28.738 0.098 0.000 0.926 744 Q HN 0.239 nan 8.270 nan 0.000 0.415 745 L N 0.158 121.605 121.223 0.374 0.000 1.997 745 L HA -0.285 4.049 4.340 -0.010 0.000 0.216 745 L C 2.525 179.589 176.870 0.323 0.000 1.074 745 L CA 1.462 56.523 54.840 0.368 0.000 0.763 745 L CB -0.681 41.511 42.059 0.223 0.000 0.890 745 L HN 0.184 nan 8.230 nan 0.000 0.434 746 S N -0.319 115.522 115.700 0.235 0.000 2.368 746 S HA -0.180 4.284 4.470 -0.010 0.000 0.225 746 S C 2.124 176.828 174.600 0.173 0.000 1.030 746 S CA 1.651 59.965 58.200 0.190 0.000 0.999 746 S CB -0.350 62.941 63.200 0.151 0.000 0.844 746 S HN 0.650 nan 8.310 nan 0.000 0.459 747 S N 0.245 116.047 115.700 0.171 0.000 2.478 747 S HA 0.374 4.838 4.470 -0.010 0.000 0.222 747 S C 1.406 176.093 174.600 0.145 0.000 1.008 747 S CA 0.726 59.007 58.200 0.134 0.000 0.928 747 S CB 0.195 63.464 63.200 0.116 0.000 0.781 747 S HN 0.881 nan 8.310 nan 0.000 0.518 748 G N 0.466 109.388 108.800 0.202 0.000 2.145 748 G HA2 -0.209 3.746 3.960 -0.010 0.000 0.145 748 G HA3 -0.209 3.746 3.960 -0.010 0.000 0.145 748 G C 0.158 175.157 174.900 0.166 0.000 1.017 748 G CA 0.052 45.265 45.100 0.189 0.000 0.682 748 G HN 0.446 nan 8.290 nan 0.000 0.504 749 F N 0.723 120.669 119.950 -0.007 0.000 2.171 749 F HA 0.180 4.701 4.527 -0.010 0.000 0.300 749 F C 1.893 177.514 175.800 -0.299 0.000 1.090 749 F CA 1.751 59.618 58.000 -0.221 0.000 1.293 749 F CB -0.090 38.664 39.000 -0.410 0.000 1.013 749 F HN 0.149 nan 8.300 nan 0.000 0.486 750 F N 0.043 120.084 119.950 0.152 0.000 2.797 750 F HA 0.143 4.664 4.527 -0.010 0.000 0.302 750 F C 0.883 176.746 175.800 0.106 0.000 1.130 750 F CA 0.610 58.647 58.000 0.062 0.000 1.387 750 F CB -0.370 38.698 39.000 0.114 0.000 1.107 750 F HN 0.067 nan 8.300 nan 0.000 0.577 751 S N -1.800 114.021 115.700 0.202 0.000 2.835 751 S HA 0.201 4.665 4.470 -0.010 0.000 0.140 751 S C -2.316 172.307 174.600 0.038 0.000 1.131 751 S CA -0.792 57.474 58.200 0.109 0.000 1.110 751 S CB 0.328 63.572 63.200 0.074 0.000 1.683 751 S HN -0.139 nan 8.310 nan 0.000 0.473 752 P HA -0.055 nan 4.420 nan 0.000 0.220 752 P C 0.936 178.236 177.300 0.000 0.000 1.148 752 P CA 1.022 64.117 63.100 -0.007 0.000 0.803 752 P CB 0.035 31.708 31.700 -0.044 0.000 0.782 753 K N -0.729 119.669 120.400 -0.003 0.000 2.432 753 K HA -0.014 4.300 4.320 -0.010 0.000 0.196 753 K C 1.306 177.907 176.600 0.002 0.000 1.038 753 K CA 0.448 56.735 56.287 0.000 0.000 0.986 753 K CB 0.135 32.636 32.500 0.002 0.000 0.782 753 K HN 0.179 nan 8.250 nan 0.000 0.485 754 Q N 0.381 120.179 119.800 -0.003 0.000 3.255 754 Q HA 0.136 4.470 4.340 -0.010 0.000 0.231 754 Q C -2.357 173.637 176.000 -0.011 0.000 0.935 754 Q CA -1.882 53.914 55.803 -0.011 0.000 0.714 754 Q CB 1.240 29.965 28.738 -0.022 0.000 1.345 754 Q HN -0.138 nan 8.270 nan 0.000 0.463 755 P HA -0.215 nan 4.420 nan 0.000 0.216 755 P C 0.764 178.096 177.300 0.053 0.000 1.153 755 P CA 1.510 64.638 63.100 0.046 0.000 0.858 755 P CB 0.143 31.873 31.700 0.051 0.000 0.789 756 D N -0.627 119.789 120.400 0.028 0.000 2.363 756 D HA -0.088 4.546 4.640 -0.010 0.000 0.220 756 D C 1.862 178.156 176.300 -0.009 0.000 0.994 756 D CA 0.066 54.086 54.000 0.034 0.000 0.890 756 D CB -0.801 40.018 40.800 0.031 0.000 0.906 756 D HN -0.044 nan 8.370 nan 0.000 0.530 757 L N 0.269 121.425 121.223 -0.113 0.000 2.082 757 L HA -0.255 4.079 4.340 -0.010 0.000 0.223 757 L C 1.330 177.975 176.870 -0.374 0.000 1.086 757 L CA 1.827 56.474 54.840 -0.322 0.000 0.793 757 L CB -0.801 40.894 42.059 -0.607 0.000 0.896 757 L HN 0.015 nan 8.230 nan 0.000 0.441 758 F N -0.873 119.137 119.950 0.101 0.000 2.639 758 F HA 0.162 4.683 4.527 -0.010 0.000 0.302 758 F C 1.865 177.724 175.800 0.099 0.000 1.097 758 F CA 0.193 58.244 58.000 0.085 0.000 1.294 758 F CB -0.685 38.356 39.000 0.067 0.000 1.027 758 F HN 0.144 nan 8.300 nan 0.000 0.550 759 K N -0.096 120.438 120.400 0.223 0.000 2.189 759 K HA -0.236 4.078 4.320 -0.010 0.000 0.207 759 K C 0.772 177.483 176.600 0.185 0.000 1.046 759 K CA 2.327 58.721 56.287 0.179 0.000 0.928 759 K CB -0.302 32.273 32.500 0.126 0.000 0.720 759 K HN 0.109 nan 8.250 nan 0.000 0.458 760 D N 0.760 121.281 120.400 0.202 0.000 2.249 760 D HA 0.047 4.681 4.640 -0.010 0.000 0.205 760 D C 2.034 178.451 176.300 0.195 0.000 0.962 760 D CA 0.690 54.813 54.000 0.205 0.000 0.860 760 D CB 0.003 40.957 40.800 0.257 0.000 0.955 760 D HN 0.306 nan 8.370 nan 0.000 0.505 761 I N 0.662 121.352 120.570 0.200 0.000 2.142 761 I HA -0.235 3.929 4.170 -0.010 0.000 0.240 761 I C 2.414 178.611 176.117 0.133 0.000 1.078 761 I CA 0.774 62.160 61.300 0.144 0.000 1.343 761 I CB -0.391 37.676 38.000 0.113 0.000 1.046 761 I HN -0.113 nan 8.210 nan 0.000 0.405 762 V N 1.426 121.438 119.914 0.163 0.000 2.287 762 V HA -0.334 3.780 4.120 -0.010 0.000 0.248 762 V C 2.267 178.436 176.094 0.124 0.000 1.053 762 V CA 2.607 64.998 62.300 0.152 0.000 1.027 762 V CB -1.029 30.898 31.823 0.175 0.000 0.646 762 V HN 0.513 nan 8.190 nan 0.000 0.447 763 N N -0.498 118.309 118.700 0.177 0.000 2.188 763 N HA -0.193 4.542 4.740 -0.010 0.000 0.184 763 N C 1.849 177.517 175.510 0.264 0.000 1.018 763 N CA 1.524 54.732 53.050 0.264 0.000 0.858 763 N CB -0.245 38.407 38.487 0.275 0.000 0.989 763 N HN 0.319 nan 8.380 nan 0.000 0.426 764 M N 0.487 120.218 119.600 0.218 0.000 2.065 764 M HA -0.127 4.347 4.480 -0.010 0.000 0.259 764 M C 1.795 178.110 176.300 0.024 0.000 1.069 764 M CA 1.435 56.856 55.300 0.203 0.000 1.110 764 M CB -0.829 31.875 32.600 0.173 0.000 1.328 764 M HN 0.305 nan 8.290 nan 0.000 0.405 765 L N -0.040 121.147 121.223 -0.059 0.000 2.043 765 L HA -0.308 4.026 4.340 -0.010 0.000 0.212 765 L C 2.594 179.136 176.870 -0.547 0.000 1.075 765 L CA 1.258 55.913 54.840 -0.309 0.000 0.752 765 L CB -0.708 41.253 42.059 -0.164 0.000 0.891 765 L HN 0.356 nan 8.230 nan 0.000 0.432 766 M N -1.604 117.749 119.600 -0.412 0.000 2.254 766 M HA -0.089 4.385 4.480 -0.010 0.000 0.265 766 M C 1.590 177.249 176.300 -1.067 0.000 1.066 766 M CA 1.717 56.574 55.300 -0.738 0.000 1.123 766 M CB -0.725 31.442 32.600 -0.722 0.000 1.388 766 M HN 0.356 nan 8.290 nan 0.000 0.425 767 H N -3.010 115.882 119.070 -0.297 0.000 3.680 767 H HA 0.250 4.800 4.556 -0.010 0.000 0.260 767 H C 0.030 174.780 175.328 -0.964 0.000 1.183 767 H CA 0.235 55.916 56.048 -0.611 0.000 1.159 767 H CB 0.440 29.782 29.762 -0.701 0.000 1.567 767 H HN 0.503 nan 8.280 nan 0.000 0.648 768 H N 0.069 119.164 119.070 0.041 0.000 3.064 768 H HA 0.110 4.660 4.556 -0.010 0.000 0.232 768 H C -0.714 174.635 175.328 0.035 0.000 1.308 768 H CA -0.331 55.750 56.048 0.054 0.000 1.010 768 H CB 0.927 30.735 29.762 0.076 0.000 2.408 768 H HN -0.020 nan 8.280 nan 0.000 0.599 769 D N 1.141 121.584 120.400 0.072 0.000 2.393 769 D HA 0.089 4.723 4.640 -0.010 0.000 0.232 769 D C 0.997 177.276 176.300 -0.034 0.000 1.192 769 D CA -0.178 53.856 54.000 0.057 0.000 0.882 769 D CB 0.665 41.473 40.800 0.013 0.000 1.038 769 D HN 0.334 nan 8.370 nan 0.000 0.499 770 R N 2.367 122.754 120.500 -0.188 0.000 2.237 770 R HA -0.042 4.292 4.340 -0.010 0.000 0.219 770 R C 0.635 176.390 176.300 -0.908 0.000 1.080 770 R CA 0.828 56.580 56.100 -0.579 0.000 0.995 770 R CB 0.103 29.914 30.300 -0.816 0.000 0.875 770 R HN 0.397 nan 8.270 nan 0.000 0.462 771 F N 0.421 120.347 119.950 -0.039 0.000 2.654 771 F HA 0.262 4.783 4.527 -0.010 0.000 0.303 771 F C 0.110 175.801 175.800 -0.181 0.000 1.099 771 F CA -0.728 57.234 58.000 -0.063 0.000 1.270 771 F CB 0.200 39.222 39.000 0.037 0.000 1.024 771 F HN -0.237 nan 8.300 nan 0.000 0.548 772 K N -0.385 119.829 120.400 -0.309 0.000 3.156 772 K HA -0.189 4.126 4.320 -0.010 0.000 0.266 772 K C 1.069 177.541 176.600 -0.214 0.000 0.966 772 K CA 0.205 56.126 56.287 -0.610 0.000 0.719 772 K CB -1.789 30.273 32.500 -0.731 0.000 1.333 772 K HN 0.201 nan 8.250 nan 0.000 0.468 773 V N -0.129 119.756 119.914 -0.047 0.000 2.287 773 V HA -0.285 3.829 4.120 -0.010 0.000 0.248 773 V C 1.964 178.196 176.094 0.231 0.000 1.053 773 V CA 2.258 64.611 62.300 0.088 0.000 1.027 773 V CB -0.489 31.400 31.823 0.110 0.000 0.646 773 V HN 0.379 nan 8.190 nan 0.000 0.447 774 F N 1.058 121.008 119.950 -0.001 0.000 2.216 774 F HA -0.053 4.468 4.527 -0.010 0.000 0.300 774 F C 2.442 178.090 175.800 -0.253 0.000 1.085 774 F CA 0.621 58.593 58.000 -0.047 0.000 1.326 774 F CB -1.772 37.207 39.000 -0.035 0.000 1.027 774 F HN 0.163 nan 8.300 nan 0.000 0.497 775 A N -0.536 122.124 122.820 -0.268 0.000 2.121 775 A HA -0.118 4.196 4.320 -0.010 0.000 0.218 775 A C 1.498 179.105 177.584 0.039 0.000 1.154 775 A CA 1.677 53.496 52.037 -0.363 0.000 0.679 775 A CB -0.540 18.285 19.000 -0.292 0.000 0.795 775 A HN 0.223 nan 8.150 nan 0.000 0.458 776 D N -2.916 117.553 120.400 0.115 0.000 2.433 776 D HA 0.096 4.730 4.640 -0.010 0.000 0.211 776 D C 1.099 177.562 176.300 0.271 0.000 1.114 776 D CA -0.114 54.016 54.000 0.217 0.000 0.837 776 D CB -0.139 40.789 40.800 0.213 0.000 0.984 776 D HN 0.470 nan 8.370 nan 0.000 0.505 777 Y N 2.165 122.553 120.300 0.147 0.000 2.081 777 Y HA -0.230 4.315 4.550 -0.009 0.000 0.280 777 Y C 1.985 177.971 175.900 0.144 0.000 1.163 777 Y CA 1.941 60.128 58.100 0.146 0.000 1.135 777 Y CB 0.121 38.645 38.460 0.108 0.000 0.970 777 Y HN -0.062 nan 8.280 nan 0.000 0.498 778 E N -0.665 119.546 120.200 0.017 0.000 2.107 778 E HA -0.172 4.172 4.350 -0.010 0.000 0.191 778 E C 2.056 178.612 176.600 -0.073 0.000 0.982 778 E CA 1.036 57.389 56.400 -0.078 0.000 0.809 778 E CB 0.015 29.788 29.700 0.123 0.000 0.756 778 E HN 0.485 nan 8.360 nan 0.000 0.459 779 E N 0.123 120.356 120.200 0.054 0.000 2.106 779 E HA -0.171 4.173 4.350 -0.010 0.000 0.192 779 E C 1.775 178.385 176.600 0.017 0.000 0.984 779 E CA 0.682 57.143 56.400 0.101 0.000 0.806 779 E CB -0.343 29.504 29.700 0.245 0.000 0.750 779 E HN 0.328 nan 8.360 nan 0.000 0.458 780 Y N 1.601 121.727 120.300 -0.291 0.000 2.145 780 Y HA -0.216 4.328 4.550 -0.010 0.000 0.286 780 Y C 2.254 177.734 175.900 -0.699 0.000 1.145 780 Y CA 1.092 58.681 58.100 -0.852 0.000 1.148 780 Y CB -0.474 37.534 38.460 -0.753 0.000 0.981 780 Y HN -0.193 nan 8.280 nan 0.000 0.507 781 V N 0.575 120.149 119.914 -0.567 0.000 2.295 781 V HA -0.334 3.780 4.120 -0.010 0.000 0.246 781 V C 2.238 178.101 176.094 -0.386 0.000 1.049 781 V CA 2.416 64.378 62.300 -0.563 0.000 1.024 781 V CB -0.680 30.866 31.823 -0.462 0.000 0.648 781 V HN 0.299 nan 8.190 nan 0.000 0.447 782 K N -0.593 119.656 120.400 -0.252 0.000 2.063 782 K HA -0.225 4.089 4.320 -0.010 0.000 0.208 782 K C 2.304 178.813 176.600 -0.151 0.000 1.048 782 K CA 1.787 57.986 56.287 -0.147 0.000 0.928 782 K CB -0.783 31.681 32.500 -0.060 0.000 0.713 782 K HN 0.532 nan 8.250 nan 0.000 0.442 783 C N 1.429 120.623 119.300 -0.177 0.000 2.413 783 C HA -0.140 4.314 4.460 -0.010 0.000 0.276 783 C C 2.605 177.397 174.990 -0.331 0.000 1.236 783 C CA 0.948 59.887 59.018 -0.130 0.000 1.735 783 C CB -0.737 26.974 27.740 -0.047 0.000 2.031 783 C HN 0.448 nan 8.230 nan 0.000 0.474 784 Q N 0.438 119.880 119.800 -0.596 0.000 2.197 784 Q HA -0.212 4.122 4.340 -0.010 0.000 0.207 784 Q C 1.927 177.716 176.000 -0.352 0.000 0.984 784 Q CA 1.833 57.251 55.803 -0.642 0.000 0.869 784 Q CB -0.430 27.615 28.738 -1.155 0.000 0.906 784 Q HN 0.767 nan 8.270 nan 0.000 0.426 785 E N 0.216 120.266 120.200 -0.250 0.000 2.051 785 E HA -0.163 4.181 4.350 -0.010 0.000 0.192 785 E C 2.129 178.674 176.600 -0.092 0.000 0.991 785 E CA 0.809 57.132 56.400 -0.128 0.000 0.799 785 E CB -0.077 29.574 29.700 -0.081 0.000 0.748 785 E HN 0.294 nan 8.360 nan 0.000 0.449 786 R N 0.496 120.945 120.500 -0.085 0.000 2.103 786 R HA -0.154 4.180 4.340 -0.010 0.000 0.242 786 R C 2.461 178.712 176.300 -0.082 0.000 1.142 786 R CA 1.373 57.485 56.100 0.021 0.000 0.960 786 R CB -0.678 29.748 30.300 0.210 0.000 0.858 786 R HN 0.085 nan 8.270 nan 0.000 0.439 787 V N 0.713 120.317 119.914 -0.516 0.000 2.261 787 V HA -0.242 3.872 4.120 -0.010 0.000 0.246 787 V C 2.246 178.316 176.094 -0.040 0.000 1.047 787 V CA 2.081 63.983 62.300 -0.663 0.000 1.015 787 V CB -0.362 31.020 31.823 -0.734 0.000 0.642 787 V HN 0.309 nan 8.190 nan 0.000 0.446 788 S N -0.114 115.524 115.700 -0.104 0.000 2.402 788 S HA -0.096 4.368 4.470 -0.010 0.000 0.229 788 S C 2.177 176.836 174.600 0.099 0.000 1.021 788 S CA 1.167 59.357 58.200 -0.016 0.000 0.974 788 S CB -0.408 62.747 63.200 -0.075 0.000 0.800 788 S HN 0.638 nan 8.310 nan 0.000 0.484 789 A N 1.636 124.509 122.820 0.089 0.000 1.883 789 A HA -0.090 4.224 4.320 -0.010 0.000 0.217 789 A C 2.094 179.795 177.584 0.194 0.000 1.186 789 A CA 1.464 53.579 52.037 0.131 0.000 0.624 789 A CB -0.825 18.238 19.000 0.106 0.000 0.822 789 A HN 0.428 nan 8.150 nan 0.000 0.444 790 L N -1.821 119.573 121.223 0.285 0.000 2.079 790 L HA -0.175 4.159 4.340 -0.010 0.000 0.210 790 L C 2.256 179.385 176.870 0.432 0.000 1.081 790 L CA 2.160 57.242 54.840 0.404 0.000 0.752 790 L CB -0.766 41.632 42.059 0.565 0.000 0.896 790 L HN 0.519 nan 8.230 nan 0.000 0.433 791 Y N 0.239 120.659 120.300 0.201 0.000 2.242 791 Y HA -0.204 4.341 4.550 -0.008 0.000 0.291 791 Y C 2.303 178.152 175.900 -0.085 0.000 1.137 791 Y CA 1.637 59.630 58.100 -0.179 0.000 1.181 791 Y CB -0.061 38.057 38.460 -0.570 0.000 0.989 791 Y HN 0.169 nan 8.280 nan 0.000 0.527 792 K N -0.007 120.460 120.400 0.111 0.000 2.442 792 K HA -0.167 4.147 4.320 -0.010 0.000 0.199 792 K C 0.263 176.864 176.600 0.001 0.000 1.044 792 K CA 0.812 57.144 56.287 0.075 0.000 0.941 792 K CB -0.236 32.336 32.500 0.120 0.000 0.759 792 K HN 0.093 nan 8.250 nan 0.000 0.472 793 N N 0.494 119.199 118.700 0.009 0.000 2.626 793 N HA 0.134 4.868 4.740 -0.010 0.000 0.242 793 N C -2.429 173.065 175.510 -0.026 0.000 1.005 793 N CA -2.377 50.673 53.050 -0.000 0.000 0.905 793 N CB 1.506 40.021 38.487 0.046 0.000 1.128 793 N HN -0.251 nan 8.380 nan 0.000 0.512 794 P HA -0.161 nan 4.420 nan 0.000 0.216 794 P C 1.317 178.609 177.300 -0.013 0.000 1.153 794 P CA 1.146 64.158 63.100 -0.146 0.000 0.858 794 P CB 0.356 31.953 31.700 -0.171 0.000 0.789 795 R N -0.032 120.467 120.500 -0.001 0.000 2.075 795 R HA -0.142 4.192 4.340 -0.010 0.000 0.232 795 R C 1.861 178.188 176.300 0.046 0.000 1.126 795 R CA 1.390 57.501 56.100 0.018 0.000 0.963 795 R CB -0.332 29.974 30.300 0.010 0.000 0.858 795 R HN 0.071 nan 8.270 nan 0.000 0.435 796 E N 0.179 120.416 120.200 0.062 0.000 2.072 796 E HA -0.217 4.127 4.350 -0.010 0.000 0.190 796 E C 1.625 178.285 176.600 0.101 0.000 0.982 796 E CA 0.659 57.102 56.400 0.071 0.000 0.803 796 E CB -0.650 29.092 29.700 0.069 0.000 0.755 796 E HN 0.459 nan 8.360 nan 0.000 0.453 797 W N 2.135 123.414 121.300 -0.035 0.000 2.290 797 W HA -0.289 4.365 4.660 -0.011 0.000 0.323 797 W C 1.844 178.341 176.519 -0.037 0.000 1.260 797 W CA 2.631 59.956 57.345 -0.033 0.000 1.266 797 W CB -0.472 28.902 29.460 -0.144 0.000 1.149 797 W HN 0.105 nan 8.180 nan 0.000 0.482 798 T N 0.582 115.235 114.554 0.164 0.000 2.777 798 T HA -0.155 4.189 4.350 -0.010 0.000 0.266 798 T C 1.768 176.466 174.700 -0.002 0.000 1.040 798 T CA 1.741 63.881 62.100 0.068 0.000 1.141 798 T CB -0.364 68.526 68.868 0.037 0.000 0.868 798 T HN 0.195 nan 8.240 nan 0.000 0.444 799 R N 0.709 121.215 120.500 0.011 0.000 2.127 799 R HA 0.062 4.396 4.340 -0.010 0.000 0.238 799 R C 2.458 178.740 176.300 -0.030 0.000 1.134 799 R CA 1.270 57.376 56.100 0.012 0.000 0.975 799 R CB -0.384 29.930 30.300 0.023 0.000 0.865 799 R HN 0.363 nan 8.270 nan 0.000 0.447 800 M N 0.484 120.028 119.600 -0.093 0.000 2.288 800 M HA -0.085 4.389 4.480 -0.010 0.000 0.266 800 M C 1.814 178.010 176.300 -0.173 0.000 1.072 800 M CA 1.130 56.339 55.300 -0.151 0.000 1.132 800 M CB 0.290 32.743 32.600 -0.245 0.000 1.386 800 M HN -0.020 nan 8.290 nan 0.000 0.432 801 V N 1.134 120.930 119.914 -0.197 0.000 2.237 801 V HA -0.316 3.798 4.120 -0.010 0.000 0.245 801 V C 2.238 178.298 176.094 -0.057 0.000 1.046 801 V CA 2.149 64.358 62.300 -0.152 0.000 1.007 801 V CB -0.619 31.133 31.823 -0.119 0.000 0.638 801 V HN 0.511 nan 8.190 nan 0.000 0.445 802 I N -0.215 120.344 120.570 -0.018 0.000 2.121 802 I HA -0.422 3.742 4.170 -0.010 0.000 0.243 802 I C 2.700 178.860 176.117 0.072 0.000 1.047 802 I CA 2.118 63.458 61.300 0.067 0.000 1.308 802 I CB -0.579 37.508 38.000 0.146 0.000 1.015 802 I HN 0.285 nan 8.210 nan 0.000 0.410 803 R N 0.426 120.944 120.500 0.031 0.000 2.139 803 R HA -0.164 4.170 4.340 -0.010 0.000 0.243 803 R C 2.057 178.384 176.300 0.046 0.000 1.145 803 R CA 1.467 57.586 56.100 0.030 0.000 0.976 803 R CB -0.513 29.789 30.300 0.003 0.000 0.866 803 R HN 0.571 nan 8.270 nan 0.000 0.449 804 N N 0.610 119.322 118.700 0.020 0.000 2.124 804 N HA -0.047 4.687 4.740 -0.010 0.000 0.188 804 N C 2.027 177.581 175.510 0.073 0.000 1.045 804 N CA 1.116 54.188 53.050 0.036 0.000 0.846 804 N CB -0.089 38.352 38.487 -0.076 0.000 1.020 804 N HN 0.074 nan 8.380 nan 0.000 0.432 805 I N 2.062 122.662 120.570 0.051 0.000 2.087 805 I HA -0.320 3.844 4.170 -0.010 0.000 0.240 805 I C 2.527 178.694 176.117 0.083 0.000 1.054 805 I CA 1.431 62.772 61.300 0.068 0.000 1.311 805 I CB -0.624 37.409 38.000 0.055 0.000 1.024 805 I HN 0.097 nan 8.210 nan 0.000 0.402 806 A N 0.326 123.199 122.820 0.089 0.000 2.054 806 A HA -0.247 4.067 4.320 -0.010 0.000 0.223 806 A C 1.978 179.605 177.584 0.072 0.000 1.169 806 A CA 2.552 54.636 52.037 0.079 0.000 0.655 806 A CB -1.067 17.985 19.000 0.087 0.000 0.812 806 A HN 0.632 nan 8.150 nan 0.000 0.462 807 T N -3.570 111.043 114.554 0.098 0.000 3.252 807 T HA 0.294 4.638 4.350 -0.010 0.000 0.286 807 T C 1.001 175.807 174.700 0.176 0.000 1.013 807 T CA 0.574 62.737 62.100 0.105 0.000 0.914 807 T CB -0.041 68.889 68.868 0.104 0.000 1.131 807 T HN 0.539 nan 8.240 nan 0.000 0.529 808 S N 0.212 116.026 115.700 0.190 0.000 2.528 808 S HA 0.223 4.687 4.470 -0.010 0.000 0.219 808 S C 2.298 177.001 174.600 0.172 0.000 0.985 808 S CA 0.454 58.841 58.200 0.312 0.000 0.914 808 S CB -0.745 62.616 63.200 0.268 0.000 0.776 808 S HN 0.528 nan 8.310 nan 0.000 0.526 809 G N 2.429 111.264 108.800 0.059 0.000 2.517 809 G HA2 -0.310 3.644 3.960 -0.010 0.000 0.222 809 G HA3 -0.310 3.644 3.960 -0.010 0.000 0.222 809 G C 1.327 176.156 174.900 -0.118 0.000 1.109 809 G CA 1.124 46.226 45.100 0.003 0.000 0.746 809 G HN 0.634 nan 8.290 nan 0.000 0.576 810 K N -0.302 119.889 120.400 -0.348 0.000 2.209 810 K HA -0.024 4.290 4.320 -0.010 0.000 0.204 810 K C 1.226 177.423 176.600 -0.672 0.000 1.048 810 K CA 0.762 56.674 56.287 -0.627 0.000 0.940 810 K CB -0.210 31.704 32.500 -0.977 0.000 0.729 810 K HN 0.347 nan 8.250 nan 0.000 0.451 811 F N 0.763 120.749 119.950 0.060 0.000 2.692 811 F HA 0.208 4.729 4.527 -0.010 0.000 0.303 811 F C 0.840 176.690 175.800 0.083 0.000 1.114 811 F CA -0.320 57.721 58.000 0.068 0.000 1.361 811 F CB -0.073 38.963 39.000 0.060 0.000 1.063 811 F HN -0.157 nan 8.300 nan 0.000 0.550 812 S N 0.179 115.961 115.700 0.136 0.000 2.565 812 S HA 0.134 4.598 4.470 -0.010 0.000 0.276 812 S C 1.474 176.159 174.600 0.143 0.000 1.326 812 S CA 0.023 58.304 58.200 0.134 0.000 1.045 812 S CB 0.713 63.960 63.200 0.078 0.000 0.918 812 S HN 0.359 nan 8.310 nan 0.000 0.505 813 S N 2.998 118.806 115.700 0.180 0.000 2.522 813 S HA -0.047 4.417 4.470 -0.010 0.000 0.227 813 S C 0.929 175.596 174.600 0.112 0.000 0.986 813 S CA 0.529 58.862 58.200 0.222 0.000 0.929 813 S CB -0.307 63.100 63.200 0.346 0.000 0.769 813 S HN 0.773 nan 8.310 nan 0.000 0.529 814 D N 2.061 122.507 120.400 0.077 0.000 2.123 814 D HA -0.107 4.527 4.640 -0.010 0.000 0.196 814 D C 2.080 178.391 176.300 0.019 0.000 0.992 814 D CA 0.861 54.883 54.000 0.037 0.000 0.833 814 D CB -0.365 40.454 40.800 0.031 0.000 0.954 814 D HN 0.295 nan 8.370 nan 0.000 0.455 815 R N 0.770 121.285 120.500 0.024 0.000 2.070 815 R HA -0.100 4.234 4.340 -0.010 0.000 0.232 815 R C 2.036 178.338 176.300 0.003 0.000 1.138 815 R CA 1.676 57.775 56.100 -0.001 0.000 0.936 815 R CB -0.941 29.343 30.300 -0.026 0.000 0.839 815 R HN 0.147 nan 8.270 nan 0.000 0.429 816 T N 2.161 116.746 114.554 0.052 0.000 2.653 816 T HA -0.184 4.160 4.350 -0.010 0.000 0.268 816 T C 1.907 176.636 174.700 0.047 0.000 1.035 816 T CA 1.585 63.740 62.100 0.093 0.000 1.154 816 T CB -0.153 68.869 68.868 0.256 0.000 0.862 816 T HN 0.129 nan 8.240 nan 0.000 0.441 817 I N 1.350 121.874 120.570 -0.078 0.000 2.286 817 I HA 0.012 4.176 4.170 -0.010 0.000 0.245 817 I C 2.933 179.007 176.117 -0.071 0.000 1.104 817 I CA 0.833 62.030 61.300 -0.172 0.000 1.397 817 I CB -1.577 36.299 38.000 -0.207 0.000 1.072 817 I HN 0.212 nan 8.210 nan 0.000 0.417 818 A N 0.227 123.026 122.820 -0.036 0.000 1.978 818 A HA -0.240 4.074 4.320 -0.010 0.000 0.220 818 A C 2.211 179.754 177.584 -0.069 0.000 1.170 818 A CA 1.455 53.477 52.037 -0.025 0.000 0.636 818 A CB -0.498 18.494 19.000 -0.013 0.000 0.810 818 A HN 0.528 nan 8.150 nan 0.000 0.448 819 Q N -1.745 117.993 119.800 -0.104 0.000 2.020 819 Q HA -0.167 4.167 4.340 -0.010 0.000 0.198 819 Q C 1.976 177.792 176.000 -0.305 0.000 0.974 819 Q CA 1.624 57.321 55.803 -0.177 0.000 0.829 819 Q CB -0.377 28.247 28.738 -0.189 0.000 0.894 819 Q HN 0.793 nan 8.270 nan 0.000 0.433 820 Y N 0.935 120.949 120.300 -0.477 0.000 2.102 820 Y HA -0.333 4.211 4.550 -0.010 0.000 0.280 820 Y C 2.508 177.785 175.900 -1.038 0.000 1.178 820 Y CA 1.418 58.957 58.100 -0.936 0.000 1.146 820 Y CB -0.553 37.009 38.460 -1.497 0.000 0.968 820 Y HN 0.187 nan 8.280 nan 0.000 0.504 821 A N 0.268 122.842 122.820 -0.411 0.000 1.858 821 A HA -0.230 4.085 4.320 -0.010 0.000 0.216 821 A C 2.237 179.835 177.584 0.022 0.000 1.190 821 A CA 2.073 54.139 52.037 0.049 0.000 0.617 821 A CB -0.599 18.517 19.000 0.193 0.000 0.827 821 A HN 0.458 nan 8.150 nan 0.000 0.443 822 R N -0.613 119.860 120.500 -0.045 0.000 2.115 822 R HA -0.030 4.304 4.340 -0.010 0.000 0.226 822 R C 1.548 177.822 176.300 -0.043 0.000 1.100 822 R CA 1.501 57.585 56.100 -0.026 0.000 0.980 822 R CB -0.134 30.148 30.300 -0.029 0.000 0.875 822 R HN 0.662 nan 8.270 nan 0.000 0.445 823 E N -0.670 119.463 120.200 -0.111 0.000 2.490 823 E HA 0.141 4.485 4.350 -0.010 0.000 0.209 823 E C 1.297 177.858 176.600 -0.064 0.000 0.971 823 E CA 0.092 56.441 56.400 -0.084 0.000 0.988 823 E CB 0.633 30.255 29.700 -0.130 0.000 1.029 823 E HN 0.259 nan 8.360 nan 0.000 0.496 824 I N -0.716 119.773 120.570 -0.136 0.000 3.196 824 I HA 0.027 4.191 4.170 -0.010 0.000 0.248 824 I C 1.469 177.731 176.117 0.241 0.000 1.105 824 I CA 0.007 61.293 61.300 -0.024 0.000 1.482 824 I CB -0.009 37.831 38.000 -0.267 0.000 1.400 824 I HN 0.105 nan 8.210 nan 0.000 0.464 825 W N 1.705 123.105 121.300 0.167 0.000 2.678 825 W HA 0.250 4.904 4.660 -0.010 0.000 0.256 825 W C 1.467 178.027 176.519 0.069 0.000 1.280 825 W CA 0.882 58.306 57.345 0.130 0.000 1.345 825 W CB -1.268 28.253 29.460 0.100 0.000 1.118 825 W HN 0.389 nan 8.180 nan 0.000 0.629 826 G N 1.172 110.123 108.800 0.252 0.000 2.272 826 G HA2 -0.103 3.851 3.960 -0.010 0.000 0.280 826 G HA3 -0.103 3.851 3.960 -0.010 0.000 0.280 826 G C -0.307 174.667 174.900 0.122 0.000 1.067 826 G CA 0.296 45.478 45.100 0.135 0.000 0.902 826 G HN 0.497 nan 8.290 nan 0.000 0.500 827 V N -3.378 116.629 119.914 0.154 0.000 2.876 827 V HA 0.899 5.013 4.120 -0.010 0.000 0.312 827 V C -0.125 176.026 176.094 0.094 0.000 1.085 827 V CA -1.531 60.838 62.300 0.114 0.000 0.945 827 V CB 2.253 34.146 31.823 0.117 0.000 1.017 827 V HN 0.348 nan 8.190 nan 0.000 0.428 828 E N 5.550 125.786 120.200 0.060 0.000 2.257 828 E HA 0.513 4.857 4.350 -0.010 0.000 0.278 828 E C -2.226 174.405 176.600 0.052 0.000 1.049 828 E CA -1.693 54.736 56.400 0.048 0.000 0.876 828 E CB 0.848 30.569 29.700 0.034 0.000 1.035 828 E HN 0.790 nan 8.360 nan 0.000 0.419 829 P HA 0.085 nan 4.420 nan 0.000 0.271 829 P C -0.864 176.461 177.300 0.042 0.000 1.238 829 P CA -0.369 62.761 63.100 0.050 0.000 0.794 829 P CB 0.890 32.615 31.700 0.043 0.000 0.959 830 S N -0.187 115.540 115.700 0.045 0.000 2.537 830 S HA 0.491 4.955 4.470 -0.010 0.000 0.270 830 S C 0.044 174.669 174.600 0.042 0.000 1.142 830 S CA -0.730 57.496 58.200 0.043 0.000 0.870 830 S CB 1.163 64.394 63.200 0.051 0.000 1.112 830 S HN 0.280 nan 8.310 nan 0.000 0.466 831 R N 1.287 121.808 120.500 0.036 0.000 2.509 831 R HA 0.242 4.577 4.340 -0.010 0.000 0.297 831 R C -0.184 176.131 176.300 0.024 0.000 0.951 831 R CA -0.236 55.885 56.100 0.034 0.000 1.103 831 R CB -0.056 30.263 30.300 0.033 0.000 1.283 831 R HN 0.673 nan 8.270 nan 0.000 0.534 832 Q N 2.386 122.200 119.800 0.022 0.000 2.239 832 Q HA -0.008 4.326 4.340 -0.010 0.000 0.286 832 Q C -0.229 175.773 176.000 0.005 0.000 1.102 832 Q CA 0.392 56.202 55.803 0.012 0.000 0.936 832 Q CB 0.147 28.892 28.738 0.012 0.000 1.127 832 Q HN -0.058 nan 8.270 nan 0.000 0.380 833 R N 3.392 123.887 120.500 -0.008 0.000 2.537 833 R HA 0.000 4.334 4.340 -0.010 0.000 0.281 833 R C -0.342 175.936 176.300 -0.037 0.000 0.988 833 R CA -0.305 55.782 56.100 -0.022 0.000 1.077 833 R CB 0.180 30.462 30.300 -0.029 0.000 0.932 833 R HN 0.619 nan 8.270 nan 0.000 0.409 834 L N 6.846 128.041 121.223 -0.047 0.000 2.472 834 L HA 0.283 4.617 4.340 -0.010 0.000 0.260 834 L C -1.829 174.998 176.870 -0.071 0.000 1.209 834 L CA -1.655 53.135 54.840 -0.084 0.000 0.817 834 L CB 0.222 42.227 42.059 -0.090 0.000 1.106 834 L HN 0.662 nan 8.230 nan 0.000 0.479 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.067 63.100 -0.055 0.000 0.800 835 P CB 0.000 31.666 31.700 -0.056 0.000 0.726