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 3hkz_1_J DATA FIRST_RESID 5 DATA SEQUENCE LTIDERWRVI EAYFKSKGLV RQHLDSYNDF VRNKLQEIID EQGEIPTEIP DATA SEQUENCE GLKVRLGKIR IGKPRVRESD RGEREISPME ARLRNLTYAA PLWLTMIPVE DATA SEQUENCE NNIEAEPEEV YIGDLPIMLK SAIDPISQYT LDKLIEIGED PKDPGGYFIV DATA SEQUENCE NGSERVIVTQ EDLAPNRVLV DTGKTGSNIT HTAKIISSTA GYRVPVTIER DATA SEQUENCE LKDGTFHVSF PAVPGKIPFV ILMRALGILT DRDIVYAVSL DPEVQNELFP DATA SEQUENCE SLEQASSIAN VDDALDFIGS RVAIGQKREN RIEKAQQIID KYFLPHLGTS DATA SEQUENCE AEDRKKKAYY LAYAISKVIE LYLGRREPDD KDHYANKRLR LAGDLFASLF DATA SEQUENCE RVAFKAFVKD LTYQLEKSKV RGRKLALKAL VRPDIVTERI RHALATGNWV DATA SEQUENCE GGRTGVSQLL DRTNWLSMLS HLRRVISSLA RGQPNFEARD LHGTQWGRMC DATA SEQUENCE PFETPEGPNS GLVKNLALMA QIAVGINERI VEKTLYEMGV VPVEEVIXXX DATA SEQUENCE XXXXXXXXXX LKWSKVILNG RLIGYYQDGG ELANKIRERR RKGEISDEVN DATA SEQUENCE VGHIVTDFIN EVHVNCDSGR VRRPLIIVSN GNPLVTIEDI EKLESGAITF DATA SEQUENCE DDLVRQGKIE YLDAEEEENA YVALEPNDLT PDHTHLEIWS PAILGITASI DATA SEQUENCE IPYPEHNQSP RNTYQSAMAK QALGLYAANY QLRTDTRAHL LHYPQRPLVQ DATA SEQUENCE TRALDIIGYT NRPAGNNAIL AVMSFTGYNM EDSIIMNRSS VERGMYRSTF DATA SEQUENCE FRLYSTEEVK YPGGQEDKIV MPEAGVRGYK GKEYYRLLED NGVVSPEVEV DATA SEQUENCE KGGDVLIGKV SPPRXXXXXX XXXXXXAKRD TSIVTRHGEM GIVDLVLITE DATA SEQUENCE TAEGNKLVKV RVRDLRIPTI GDKFASRHGQ KGVIGMLIPQ VDMPYTVKGV DATA SEQUENCE VPDIILNPHA LPSRMTLGQI MEGIAGKYAA LSGNIVDATP FYKTPIEQLQ DATA SEQUENCE NEILRYGYLP DATEVVYDGR TGQKIKSRIY FGVVYYQKLH HMVADKLHAR DATA SEQUENCE ARGPVQILTR QPTEGRAREG GLRFGEMERD CLIGFGTAML LKDRLLDNSD DATA SEQUENCE RTMIYVCDQC GYIGWYDKNK NKYVCPIHGD KSNLFPVTVS YAFKLLIQEL DATA SEQUENCE MSMIISPRLV LEDKV 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.937 176.870 0.111 0.000 1.165 5 L CA 0.000 54.900 54.840 0.100 0.000 0.813 5 L CB 0.000 42.118 42.059 0.098 0.000 0.961 6 T N 1.838 116.470 114.554 0.130 0.000 2.678 6 T HA 0.772 5.123 4.350 0.002 0.000 0.260 6 T C 0.934 175.746 174.700 0.186 0.000 0.932 6 T CA -0.422 61.764 62.100 0.143 0.000 1.043 6 T CB 1.914 70.861 68.868 0.132 0.000 1.413 6 T HN 0.450 nan 8.240 nan 0.000 0.568 7 I N -0.252 120.438 120.570 0.200 0.000 4.338 7 I HA 0.185 4.356 4.170 0.002 0.000 0.315 7 I C 0.845 177.133 176.117 0.285 0.000 1.262 7 I CA 0.427 61.881 61.300 0.256 0.000 1.298 7 I CB -0.834 37.300 38.000 0.222 0.000 1.257 7 I HN 0.473 nan 8.210 nan 0.000 0.444 8 D N 1.230 121.768 120.400 0.231 0.000 2.289 8 D HA -0.114 4.527 4.640 0.002 0.000 0.207 8 D C 1.895 178.355 176.300 0.268 0.000 0.966 8 D CA 0.568 54.725 54.000 0.261 0.000 0.868 8 D CB 0.355 41.272 40.800 0.195 0.000 0.943 8 D HN 0.392 nan 8.370 nan 0.000 0.514 9 E N 1.548 121.874 120.200 0.211 0.000 1.998 9 E HA -0.264 4.087 4.350 0.002 0.000 0.196 9 E C 2.107 178.817 176.600 0.184 0.000 1.003 9 E CA 1.023 57.525 56.400 0.170 0.000 0.829 9 E CB 0.035 29.822 29.700 0.144 0.000 0.777 9 E HN 0.203 nan 8.360 nan 0.000 0.460 10 R N 0.395 121.029 120.500 0.223 0.000 2.165 10 R HA -0.234 4.108 4.340 0.002 0.000 0.254 10 R C 2.525 178.934 176.300 0.182 0.000 1.153 10 R CA 1.894 58.137 56.100 0.237 0.000 0.971 10 R CB -1.569 28.934 30.300 0.339 0.000 0.878 10 R HN 0.556 nan 8.270 nan 0.000 0.449 11 W N 1.939 123.222 121.300 -0.030 0.000 2.304 11 W HA -0.230 4.431 4.660 0.002 0.000 0.328 11 W C 1.980 178.399 176.519 -0.167 0.000 1.242 11 W CA 1.339 58.548 57.345 -0.226 0.000 1.243 11 W CB -0.209 29.193 29.460 -0.097 0.000 1.170 11 W HN 0.063 nan 8.180 nan 0.000 0.460 12 R N 0.218 120.619 120.500 -0.164 0.000 2.159 12 R HA -0.248 4.093 4.340 0.002 0.000 0.252 12 R C 1.878 178.021 176.300 -0.263 0.000 1.144 12 R CA 2.172 58.113 56.100 -0.265 0.000 0.961 12 R CB -1.664 28.601 30.300 -0.058 0.000 0.877 12 R HN 0.299 nan 8.270 nan 0.000 0.444 13 V N 1.294 121.133 119.914 -0.125 0.000 2.233 13 V HA -0.260 3.861 4.120 0.002 0.000 0.247 13 V C 2.397 178.393 176.094 -0.163 0.000 1.050 13 V CA 2.016 64.305 62.300 -0.018 0.000 1.010 13 V CB -0.652 31.225 31.823 0.090 0.000 0.637 13 V HN 0.183 nan 8.190 nan 0.000 0.444 14 I N 0.034 120.404 120.570 -0.332 0.000 2.226 14 I HA -0.211 3.960 4.170 0.002 0.000 0.245 14 I C 2.503 178.246 176.117 -0.625 0.000 1.100 14 I CA 1.874 62.859 61.300 -0.525 0.000 1.374 14 I CB -0.440 37.298 38.000 -0.435 0.000 1.057 14 I HN 0.446 nan 8.210 nan 0.000 0.413 15 E N 0.481 120.205 120.200 -0.793 0.000 2.077 15 E HA -0.237 4.114 4.350 0.002 0.000 0.193 15 E C 2.167 178.552 176.600 -0.358 0.000 0.989 15 E CA 1.198 57.179 56.400 -0.698 0.000 0.800 15 E CB -0.195 28.795 29.700 -1.183 0.000 0.746 15 E HN 0.593 nan 8.360 nan 0.000 0.452 16 A N 0.429 123.066 122.820 -0.304 0.000 1.969 16 A HA -0.195 4.126 4.320 0.002 0.000 0.218 16 A C 1.998 179.488 177.584 -0.157 0.000 1.169 16 A CA 1.370 53.317 52.037 -0.150 0.000 0.635 16 A CB -0.850 18.124 19.000 -0.042 0.000 0.810 16 A HN 0.601 nan 8.150 nan 0.000 0.445 17 Y N -0.282 119.749 120.300 -0.449 0.000 2.181 17 Y HA -0.205 4.346 4.550 0.002 0.000 0.288 17 Y C 1.644 177.216 175.900 -0.548 0.000 1.146 17 Y CA 1.811 59.459 58.100 -0.753 0.000 1.164 17 Y CB -0.503 37.010 38.460 -1.577 0.000 0.982 17 Y HN 0.243 nan 8.280 nan 0.000 0.515 18 F N 0.737 120.316 119.950 -0.619 0.000 2.456 18 F HA 0.038 4.566 4.527 0.002 0.000 0.298 18 F C 2.412 177.992 175.800 -0.367 0.000 1.104 18 F CA 1.122 58.787 58.000 -0.558 0.000 1.435 18 F CB -0.525 38.276 39.000 -0.331 0.000 1.078 18 F HN 0.009 nan 8.300 nan 0.000 0.546 19 K N -0.030 120.288 120.400 -0.137 0.000 2.211 19 K HA -0.130 4.191 4.320 0.002 0.000 0.203 19 K C 2.269 178.796 176.600 -0.121 0.000 1.050 19 K CA 1.286 57.514 56.287 -0.098 0.000 0.945 19 K CB -0.149 32.302 32.500 -0.081 0.000 0.732 19 K HN 0.254 nan 8.250 nan 0.000 0.451 20 S N -0.496 115.082 115.700 -0.203 0.000 2.501 20 S HA 0.061 4.533 4.470 0.002 0.000 0.220 20 S C 1.220 175.684 174.600 -0.227 0.000 0.997 20 S CA 0.408 58.508 58.200 -0.168 0.000 0.919 20 S CB 0.280 63.430 63.200 -0.083 0.000 0.778 20 S HN 0.134 nan 8.310 nan 0.000 0.523 21 K N -0.712 119.470 120.400 -0.363 0.000 2.836 21 K HA 0.369 4.690 4.320 0.002 0.000 0.269 21 K C 1.467 177.972 176.600 -0.159 0.000 2.221 21 K CA 0.651 56.752 56.287 -0.310 0.000 1.199 21 K CB -0.928 31.256 32.500 -0.525 0.000 2.572 21 K HN 0.274 nan 8.250 nan 0.000 0.395 22 G N 3.980 112.720 108.800 -0.101 0.000 2.699 22 G HA2 -0.380 3.581 3.960 0.002 0.000 0.347 22 G HA3 -0.380 3.581 3.960 0.002 0.000 0.347 22 G C 0.950 175.866 174.900 0.026 0.000 1.225 22 G CA 1.188 46.396 45.100 0.180 0.000 0.973 22 G HN 0.264 nan 8.290 nan 0.000 0.551 23 L N -1.591 119.610 121.223 -0.037 0.000 4.474 23 L HA -0.267 4.074 4.340 0.002 0.000 0.053 23 L C 1.274 178.116 176.870 -0.046 0.000 2.806 23 L CA 2.417 57.220 54.840 -0.060 0.000 1.800 23 L CB -1.737 40.299 42.059 -0.038 0.000 2.643 23 L HN 1.048 nan 8.230 nan 0.000 0.744 24 V N -0.140 119.757 119.914 -0.028 0.000 2.524 24 V HA 0.445 4.566 4.120 0.002 0.000 0.297 24 V C 0.332 176.439 176.094 0.022 0.000 1.035 24 V CA -0.328 61.972 62.300 0.001 0.000 0.867 24 V CB 1.751 33.564 31.823 -0.017 0.000 1.004 24 V HN 0.657 nan 8.190 nan 0.000 0.426 25 R N 1.672 122.198 120.500 0.043 0.000 2.433 25 R HA 0.111 4.452 4.340 0.002 0.000 0.322 25 R C 1.422 177.749 176.300 0.045 0.000 0.808 25 R CA -0.181 55.944 56.100 0.041 0.000 1.046 25 R CB 0.596 30.906 30.300 0.017 0.000 1.740 25 R HN 0.657 nan 8.270 nan 0.000 0.490 26 Q N -0.268 119.563 119.800 0.051 0.000 2.124 26 Q HA -0.156 4.185 4.340 0.002 0.000 0.202 26 Q C 0.816 176.751 176.000 -0.109 0.000 0.977 26 Q CA 1.806 57.595 55.803 -0.024 0.000 0.850 26 Q CB -0.042 28.675 28.738 -0.036 0.000 0.901 26 Q HN 0.520 nan 8.270 nan 0.000 0.429 27 H N -0.088 118.989 119.070 0.012 0.000 2.284 27 H HA 0.058 4.615 4.556 0.002 0.000 0.314 27 H C 2.139 177.497 175.328 0.050 0.000 1.058 27 H CA 0.546 56.607 56.048 0.021 0.000 1.394 27 H CB -0.394 29.353 29.762 -0.025 0.000 1.431 27 H HN -0.034 nan 8.280 nan 0.000 0.537 28 L N 0.720 122.026 121.223 0.139 0.000 2.011 28 L HA -0.236 4.105 4.340 0.002 0.000 0.225 28 L C 0.472 177.419 176.870 0.127 0.000 1.084 28 L CA 1.728 56.642 54.840 0.123 0.000 0.791 28 L CB -0.525 41.568 42.059 0.056 0.000 0.898 28 L HN 0.335 nan 8.230 nan 0.000 0.440 29 D N -0.921 119.524 120.400 0.076 0.000 2.767 29 D HA 0.121 4.762 4.640 0.002 0.000 0.231 29 D C 1.137 177.467 176.300 0.050 0.000 1.105 29 D CA 0.887 54.918 54.000 0.051 0.000 1.024 29 D CB 0.324 41.143 40.800 0.032 0.000 1.123 29 D HN 0.366 nan 8.370 nan 0.000 0.470 30 S N -0.472 115.276 115.700 0.080 0.000 3.763 30 S HA -0.171 4.300 4.470 0.002 0.000 0.118 30 S C 1.143 175.833 174.600 0.150 0.000 0.813 30 S CA -0.359 57.891 58.200 0.083 0.000 1.439 30 S CB -1.063 62.161 63.200 0.041 0.000 1.237 30 S HN 0.200 nan 8.310 nan 0.000 0.332 31 Y N 3.556 123.881 120.300 0.042 0.000 2.163 31 Y HA 0.246 4.797 4.550 0.002 0.000 0.288 31 Y C 2.039 177.994 175.900 0.092 0.000 1.136 31 Y CA 2.383 60.504 58.100 0.034 0.000 1.147 31 Y CB -0.548 37.894 38.460 -0.030 0.000 0.987 31 Y HN 0.412 nan 8.280 nan 0.000 0.509 32 N N 0.645 119.377 118.700 0.054 0.000 2.289 32 N HA -0.202 4.539 4.740 0.002 0.000 0.184 32 N C 1.643 177.116 175.510 -0.061 0.000 1.016 32 N CA 1.484 54.511 53.050 -0.038 0.000 0.872 32 N CB -0.582 37.921 38.487 0.027 0.000 0.973 32 N HN 0.631 nan 8.380 nan 0.000 0.433 33 D N 0.357 120.750 120.400 -0.013 0.000 2.103 33 D HA -0.165 4.476 4.640 0.002 0.000 0.199 33 D C 1.836 178.106 176.300 -0.051 0.000 0.978 33 D CA 0.434 54.417 54.000 -0.028 0.000 0.829 33 D CB -0.294 40.509 40.800 0.004 0.000 0.981 33 D HN 0.225 nan 8.370 nan 0.000 0.464 34 F N 1.089 120.936 119.950 -0.171 0.000 2.225 34 F HA -0.209 4.319 4.527 0.002 0.000 0.302 34 F C 1.894 177.515 175.800 -0.300 0.000 1.068 34 F CA 1.324 59.200 58.000 -0.206 0.000 1.327 34 F CB -0.060 38.829 39.000 -0.184 0.000 1.043 34 F HN -0.061 nan 8.300 nan 0.000 0.506 35 V N 0.208 119.904 119.914 -0.363 0.000 3.565 35 V HA 0.091 4.212 4.120 0.002 0.000 0.260 35 V C 2.087 177.983 176.094 -0.329 0.000 1.231 35 V CA 0.865 62.896 62.300 -0.448 0.000 1.100 35 V CB -0.212 31.409 31.823 -0.336 0.000 0.807 35 V HN 0.428 nan 8.190 nan 0.000 0.454 36 R N -0.281 120.071 120.500 -0.246 0.000 2.013 36 R HA 0.114 4.456 4.340 0.002 0.000 0.198 36 R C 1.858 178.056 176.300 -0.171 0.000 1.407 36 R CA 0.744 56.738 56.100 -0.178 0.000 1.140 36 R CB -0.587 29.640 30.300 -0.122 0.000 1.011 36 R HN 0.361 nan 8.270 nan 0.000 0.472 37 N N 1.297 119.911 118.700 -0.143 0.000 2.223 37 N HA -0.124 4.617 4.740 0.002 0.000 0.185 37 N C 0.627 176.034 175.510 -0.172 0.000 1.016 37 N CA 1.109 54.081 53.050 -0.131 0.000 0.863 37 N CB 0.010 38.441 38.487 -0.094 0.000 0.983 37 N HN 0.098 nan 8.380 nan 0.000 0.429 38 K N -0.765 119.494 120.400 -0.234 0.000 2.450 38 K HA 0.358 4.679 4.320 0.002 0.000 0.248 38 K C 0.692 176.996 176.600 -0.493 0.000 1.056 38 K CA -0.407 55.697 56.287 -0.304 0.000 0.974 38 K CB 0.775 33.120 32.500 -0.258 0.000 1.334 38 K HN -0.141 nan 8.250 nan 0.000 0.516 39 L N -0.343 120.509 121.223 -0.619 0.000 3.370 39 L HA -0.450 3.891 4.340 0.002 0.000 0.308 39 L C 1.663 178.205 176.870 -0.546 0.000 4.222 39 L CA 2.790 57.151 54.840 -0.799 0.000 1.163 39 L CB -1.472 39.921 42.059 -1.110 0.000 3.373 39 L HN 0.868 nan 8.230 nan 0.000 0.809 40 Q N 0.222 119.766 119.800 -0.427 0.000 2.217 40 Q HA -0.239 4.102 4.340 0.002 0.000 0.209 40 Q C 1.780 177.640 176.000 -0.233 0.000 0.988 40 Q CA 2.529 58.156 55.803 -0.294 0.000 0.878 40 Q CB -0.206 28.390 28.738 -0.236 0.000 0.909 40 Q HN 0.765 nan 8.270 nan 0.000 0.424 41 E N -0.398 119.663 120.200 -0.232 0.000 2.085 41 E HA -0.196 4.155 4.350 0.002 0.000 0.194 41 E C 1.828 178.344 176.600 -0.141 0.000 0.994 41 E CA 1.595 57.898 56.400 -0.163 0.000 0.801 41 E CB -0.237 29.374 29.700 -0.148 0.000 0.743 41 E HN 0.558 nan 8.360 nan 0.000 0.453 42 I N 0.837 121.295 120.570 -0.187 0.000 2.928 42 I HA -0.119 4.053 4.170 0.002 0.000 0.266 42 I C 1.548 177.573 176.117 -0.153 0.000 1.234 42 I CA 0.286 61.513 61.300 -0.122 0.000 1.483 42 I CB 0.037 37.989 38.000 -0.080 0.000 1.097 42 I HN 0.049 nan 8.210 nan 0.000 0.455 43 I N 1.025 121.454 120.570 -0.235 0.000 3.749 43 I HA 0.015 4.187 4.170 0.002 0.000 0.314 43 I C -0.040 176.044 176.117 -0.054 0.000 1.278 43 I CA 0.712 61.876 61.300 -0.227 0.000 1.158 43 I CB -1.045 36.790 38.000 -0.275 0.000 1.018 43 I HN 0.133 nan 8.210 nan 0.000 0.435 44 D N 1.031 121.405 120.400 -0.044 0.000 3.088 44 D HA 0.093 4.734 4.640 0.002 0.000 0.310 44 D C 1.383 177.687 176.300 0.007 0.000 1.351 44 D CA 0.080 54.071 54.000 -0.015 0.000 0.921 44 D CB 0.339 41.114 40.800 -0.041 0.000 1.045 44 D HN 0.489 nan 8.370 nan 0.000 0.504 45 E N -0.332 119.906 120.200 0.063 0.000 2.472 45 E HA 0.040 4.391 4.350 0.002 0.000 0.196 45 E C 0.347 176.986 176.600 0.065 0.000 1.033 45 E CA -0.165 56.273 56.400 0.063 0.000 0.886 45 E CB 0.548 30.331 29.700 0.138 0.000 0.944 45 E HN 0.058 nan 8.360 nan 0.000 0.492 46 Q N -0.433 119.416 119.800 0.082 0.000 0.407 46 Q HA -0.157 4.184 4.340 0.002 0.000 0.313 46 Q C 0.191 176.242 176.000 0.084 0.000 1.086 46 Q CA 0.416 56.261 55.803 0.070 0.000 0.270 46 Q CB -1.111 27.647 28.738 0.034 0.000 5.580 46 Q HN 0.588 nan 8.270 nan 0.000 0.313 47 G N 1.487 110.325 108.800 0.063 0.000 2.281 47 G HA2 -0.055 3.906 3.960 0.002 0.000 0.236 47 G HA3 -0.055 3.906 3.960 0.002 0.000 0.236 47 G C -0.153 174.776 174.900 0.048 0.000 1.053 47 G CA 0.067 45.201 45.100 0.056 0.000 0.874 47 G HN 0.336 nan 8.290 nan 0.000 0.450 48 E N 1.766 121.989 120.200 0.038 0.000 2.384 48 E HA 0.067 4.418 4.350 0.002 0.000 0.266 48 E C 1.207 177.812 176.600 0.008 0.000 1.012 48 E CA -0.280 56.127 56.400 0.012 0.000 0.901 48 E CB 0.639 30.326 29.700 -0.021 0.000 0.967 48 E HN 0.451 nan 8.360 nan 0.000 0.435 49 I N 3.983 124.557 120.570 0.007 0.000 3.076 49 I HA -0.202 3.969 4.170 0.002 0.000 0.321 49 I C -1.308 174.815 176.117 0.010 0.000 1.216 49 I CA -0.498 60.809 61.300 0.013 0.000 1.460 49 I CB -0.188 37.822 38.000 0.017 0.000 1.313 49 I HN 0.400 nan 8.210 nan 0.000 0.546 50 P HA 0.008 nan 4.420 nan 0.000 0.212 50 P C 0.730 178.038 177.300 0.013 0.000 1.163 50 P CA 0.897 64.004 63.100 0.012 0.000 0.892 50 P CB 0.053 31.762 31.700 0.014 0.000 0.766 51 T N -1.096 113.467 114.554 0.015 0.000 4.526 51 T HA -0.180 4.171 4.350 0.002 0.000 0.332 51 T C 0.138 174.845 174.700 0.011 0.000 0.846 51 T CA 1.092 63.201 62.100 0.014 0.000 1.955 51 T CB -1.900 66.977 68.868 0.016 0.000 2.056 51 T HN 0.191 nan 8.240 nan 0.000 0.866 52 E N -0.033 120.173 120.200 0.011 0.000 2.081 52 E HA 0.477 4.828 4.350 0.002 0.000 0.276 52 E C 1.484 178.089 176.600 0.009 0.000 0.950 52 E CA -0.663 55.743 56.400 0.009 0.000 0.776 52 E CB 0.569 30.274 29.700 0.009 0.000 1.094 52 E HN 0.383 nan 8.360 nan 0.000 0.402 53 I N 3.339 123.913 120.570 0.008 0.000 2.087 53 I HA -0.219 3.952 4.170 0.002 0.000 0.240 53 I C -0.815 175.307 176.117 0.008 0.000 1.054 53 I CA 0.957 62.262 61.300 0.007 0.000 1.311 53 I CB -1.161 36.843 38.000 0.006 0.000 1.024 53 I HN 0.335 nan 8.210 nan 0.000 0.402 54 P HA 0.057 nan 4.420 nan 0.000 0.269 54 P C 0.049 177.354 177.300 0.009 0.000 1.252 54 P CA 0.171 63.275 63.100 0.007 0.000 0.780 54 P CB 0.086 31.790 31.700 0.007 0.000 0.829 55 G N 3.945 112.750 108.800 0.009 0.000 2.689 55 G HA2 -0.045 3.916 3.960 0.002 0.000 0.298 55 G HA3 -0.045 3.916 3.960 0.002 0.000 0.298 55 G C -0.181 174.725 174.900 0.011 0.000 0.527 55 G CA -0.110 44.996 45.100 0.010 0.000 1.247 55 G HN 0.602 nan 8.290 nan 0.000 0.232 56 L N 2.385 123.614 121.223 0.010 0.000 2.301 56 L HA 0.623 4.964 4.340 0.002 0.000 0.278 56 L C 0.020 176.897 176.870 0.011 0.000 1.022 56 L CA -0.542 54.304 54.840 0.010 0.000 0.854 56 L CB 0.665 42.729 42.059 0.008 0.000 1.226 56 L HN 0.389 nan 8.230 nan 0.000 0.429 57 K N 3.234 123.642 120.400 0.013 0.000 2.444 57 K HA 0.781 5.102 4.320 0.002 0.000 0.252 57 K C -1.557 175.054 176.600 0.018 0.000 0.993 57 K CA -1.037 55.259 56.287 0.015 0.000 0.847 57 K CB 2.820 35.331 32.500 0.018 0.000 1.340 57 K HN 0.203 nan 8.250 nan 0.000 0.446 58 V N 1.972 121.900 119.914 0.023 0.000 2.447 58 V HA 0.375 4.496 4.120 0.002 0.000 0.292 58 V C -0.608 175.513 176.094 0.046 0.000 1.021 58 V CA -0.865 61.454 62.300 0.032 0.000 0.850 58 V CB 1.283 33.124 31.823 0.030 0.000 1.005 58 V HN 0.605 nan 8.190 nan 0.000 0.426 59 R N 4.111 124.637 120.500 0.044 0.000 2.349 59 R HA 0.673 5.014 4.340 0.002 0.000 0.299 59 R C -0.993 175.343 176.300 0.059 0.000 1.027 59 R CA -0.561 55.567 56.100 0.048 0.000 0.958 59 R CB 1.331 31.650 30.300 0.033 0.000 1.047 59 R HN 0.576 nan 8.270 nan 0.000 0.468 60 L N 1.979 123.244 121.223 0.071 0.000 2.289 60 L HA 0.367 4.708 4.340 0.002 0.000 0.285 60 L C 1.256 178.151 176.870 0.041 0.000 1.049 60 L CA -0.355 54.535 54.840 0.082 0.000 0.804 60 L CB 1.550 43.687 42.059 0.130 0.000 1.195 60 L HN 0.786 nan 8.230 nan 0.000 0.428 61 G N 2.768 111.585 108.800 0.028 0.000 3.056 61 G HA2 0.227 4.189 3.960 0.002 0.000 0.175 61 G HA3 0.227 4.189 3.960 0.002 0.000 0.175 61 G C -0.177 174.702 174.900 -0.034 0.000 1.894 61 G CA -0.197 44.898 45.100 -0.008 0.000 0.910 61 G HN 0.500 nan 8.290 nan 0.000 0.462 62 K N -0.264 120.098 120.400 -0.063 0.000 2.371 62 K HA 0.521 4.842 4.320 0.002 0.000 0.251 62 K C -0.977 175.556 176.600 -0.111 0.000 0.934 62 K CA -0.482 55.744 56.287 -0.103 0.000 0.798 62 K CB 2.692 35.109 32.500 -0.138 0.000 1.204 62 K HN 0.214 nan 8.250 nan 0.000 0.427 63 I N 3.930 124.427 120.570 -0.122 0.000 2.385 63 I HA 0.387 4.558 4.170 0.002 0.000 0.294 63 I C 0.280 176.312 176.117 -0.141 0.000 0.988 63 I CA -0.883 60.357 61.300 -0.101 0.000 1.265 63 I CB 0.903 38.838 38.000 -0.109 0.000 1.388 63 I HN 0.501 nan 8.210 nan 0.000 0.480 64 R N 6.074 126.515 120.500 -0.098 0.000 2.919 64 R HA 0.680 5.021 4.340 0.002 0.000 0.260 64 R C -0.857 175.570 176.300 0.212 0.000 1.067 64 R CA -0.789 55.273 56.100 -0.064 0.000 1.003 64 R CB 1.687 31.816 30.300 -0.286 0.000 1.192 64 R HN 0.352 nan 8.270 nan 0.000 0.488 65 I N -0.627 120.049 120.570 0.177 0.000 3.062 65 I HA 0.585 4.756 4.170 0.002 0.000 0.318 65 I C 0.961 177.252 176.117 0.290 0.000 1.026 65 I CA -0.786 60.631 61.300 0.194 0.000 1.096 65 I CB 0.859 38.915 38.000 0.093 0.000 1.348 65 I HN 0.834 nan 8.210 nan 0.000 0.543 66 G N 1.384 110.301 108.800 0.196 0.000 3.122 66 G HA2 0.555 4.516 3.960 0.002 0.000 0.180 66 G HA3 0.555 4.516 3.960 0.002 0.000 0.180 66 G C -0.661 174.300 174.900 0.102 0.000 1.279 66 G CA -0.533 44.668 45.100 0.167 0.000 0.987 66 G HN 0.552 nan 8.290 nan 0.000 0.589 67 K N 0.538 120.973 120.400 0.058 0.000 2.245 67 K HA 0.470 4.792 4.320 0.002 0.000 0.234 67 K C -2.583 173.992 176.600 -0.042 0.000 1.021 67 K CA -1.625 54.674 56.287 0.019 0.000 0.898 67 K CB 1.885 34.401 32.500 0.027 0.000 1.163 67 K HN 0.214 nan 8.250 nan 0.000 0.459 68 P HA 0.149 nan 4.420 nan 0.000 0.276 68 P C -1.096 176.109 177.300 -0.159 0.000 1.253 68 P CA 0.045 62.993 63.100 -0.252 0.000 0.766 68 P CB 0.738 32.114 31.700 -0.540 0.000 0.845 69 R N 1.560 121.989 120.500 -0.118 0.000 2.912 69 R HA 0.766 5.107 4.340 0.002 0.000 0.262 69 R C -0.626 175.646 176.300 -0.046 0.000 1.057 69 R CA -1.142 54.916 56.100 -0.069 0.000 0.981 69 R CB 2.315 32.579 30.300 -0.059 0.000 1.201 69 R HN 0.311 nan 8.270 nan 0.000 0.484 70 V N -1.665 118.231 119.914 -0.029 0.000 2.971 70 V HA 0.606 4.727 4.120 0.002 0.000 0.309 70 V C -0.442 175.644 176.094 -0.013 0.000 1.130 70 V CA -1.134 61.161 62.300 -0.010 0.000 0.964 70 V CB 1.832 33.659 31.823 0.005 0.000 1.029 70 V HN 0.856 nan 8.190 nan 0.000 0.427 71 R N 1.232 121.729 120.500 -0.006 0.000 2.598 71 R HA -0.110 4.231 4.340 0.002 0.000 0.323 71 R C -0.236 176.051 176.300 -0.022 0.000 0.993 71 R CA 0.878 56.973 56.100 -0.009 0.000 0.724 71 R CB -0.484 29.812 30.300 -0.007 0.000 2.060 71 R HN 1.187 nan 8.270 nan 0.000 0.470 72 E N 1.544 121.731 120.200 -0.023 0.000 2.312 72 E HA 0.440 4.791 4.350 0.002 0.000 0.259 72 E C -0.085 176.501 176.600 -0.024 0.000 1.122 72 E CA -0.228 56.152 56.400 -0.034 0.000 0.922 72 E CB 0.713 30.390 29.700 -0.038 0.000 1.109 72 E HN 0.569 nan 8.360 nan 0.000 0.442 73 S N 0.053 115.736 115.700 -0.029 0.000 3.255 73 S HA -0.249 4.222 4.470 0.002 0.000 0.358 73 S C 0.061 174.652 174.600 -0.015 0.000 0.915 73 S CA 1.010 59.198 58.200 -0.020 0.000 1.335 73 S CB -1.387 61.806 63.200 -0.013 0.000 0.938 73 S HN 0.828 nan 8.310 nan 0.000 0.550 74 D N 0.444 120.833 120.400 -0.018 0.000 2.649 74 D HA -0.065 4.577 4.640 0.002 0.000 0.507 74 D C -0.644 175.646 176.300 -0.016 0.000 1.091 74 D CA -0.094 53.898 54.000 -0.014 0.000 1.076 74 D CB 0.164 40.958 40.800 -0.011 0.000 1.647 74 D HN 0.496 nan 8.370 nan 0.000 0.356 75 R N 0.174 120.660 120.500 -0.023 0.000 2.362 75 R HA -0.112 4.229 4.340 0.002 0.000 0.325 75 R C 0.417 176.702 176.300 -0.026 0.000 1.082 75 R CA 1.091 57.175 56.100 -0.027 0.000 0.940 75 R CB -2.231 28.055 30.300 -0.022 0.000 2.664 75 R HN 0.430 nan 8.270 nan 0.000 0.501 76 G N 0.534 109.314 108.800 -0.033 0.000 2.573 76 G HA2 0.230 4.191 3.960 0.002 0.000 0.178 76 G HA3 0.230 4.191 3.960 0.002 0.000 0.178 76 G C -0.722 174.153 174.900 -0.042 0.000 1.706 76 G CA -0.095 44.987 45.100 -0.031 0.000 0.760 76 G HN 0.334 nan 8.290 nan 0.000 0.778 77 E N 0.679 120.848 120.200 -0.052 0.000 2.291 77 E HA -0.164 4.188 4.350 0.002 0.000 0.181 77 E C 0.034 176.604 176.600 -0.051 0.000 1.480 77 E CA 0.718 57.077 56.400 -0.067 0.000 0.674 77 E CB -0.658 28.983 29.700 -0.098 0.000 1.108 77 E HN 0.513 nan 8.360 nan 0.000 0.357 78 R N 0.343 120.820 120.500 -0.037 0.000 2.854 78 R HA 0.477 4.819 4.340 0.002 0.000 0.271 78 R C -0.364 175.922 176.300 -0.024 0.000 0.996 78 R CA -0.613 55.472 56.100 -0.025 0.000 0.961 78 R CB 1.418 31.709 30.300 -0.015 0.000 1.182 78 R HN 0.048 nan 8.270 nan 0.000 0.479 79 E N 1.771 121.962 120.200 -0.014 0.000 2.221 79 E HA 0.411 4.762 4.350 0.002 0.000 0.268 79 E C -0.880 175.719 176.600 -0.002 0.000 0.933 79 E CA -0.672 55.718 56.400 -0.016 0.000 0.809 79 E CB 2.033 31.729 29.700 -0.008 0.000 1.190 79 E HN 0.393 nan 8.360 nan 0.000 0.406 80 I N -0.909 119.654 120.570 -0.012 0.000 2.509 80 I HA 0.472 4.643 4.170 0.002 0.000 0.293 80 I C -0.126 176.032 176.117 0.068 0.000 1.020 80 I CA -1.020 60.294 61.300 0.024 0.000 1.088 80 I CB 2.039 40.057 38.000 0.030 0.000 1.267 80 I HN 0.233 nan 8.210 nan 0.000 0.430 81 S N 4.949 120.700 115.700 0.085 0.000 2.565 81 S HA 0.390 4.861 4.470 0.002 0.000 0.274 81 S C -1.304 173.400 174.600 0.173 0.000 1.309 81 S CA -1.487 56.767 58.200 0.091 0.000 1.043 81 S CB 0.990 64.208 63.200 0.031 0.000 0.939 81 S HN 0.589 nan 8.310 nan 0.000 0.504 82 P HA -0.100 nan 4.420 nan 0.000 0.217 82 P C 1.213 178.509 177.300 -0.008 0.000 1.150 82 P CA 1.025 64.138 63.100 0.022 0.000 0.832 82 P CB 0.014 31.576 31.700 -0.229 0.000 0.787 83 M N -0.542 119.052 119.600 -0.009 0.000 2.722 83 M HA -0.012 4.469 4.480 0.002 0.000 0.238 83 M C 1.454 177.761 176.300 0.012 0.000 1.098 83 M CA 0.955 56.249 55.300 -0.010 0.000 1.062 83 M CB -1.097 31.483 32.600 -0.033 0.000 1.573 83 M HN 0.074 nan 8.290 nan 0.000 0.531 84 E N -0.571 119.655 120.200 0.044 0.000 2.121 84 E HA 0.105 4.456 4.350 0.002 0.000 0.194 84 E C 1.886 178.529 176.600 0.071 0.000 0.940 84 E CA 0.608 57.039 56.400 0.053 0.000 0.884 84 E CB -0.013 29.723 29.700 0.060 0.000 0.874 84 E HN 0.394 nan 8.360 nan 0.000 0.471 85 A N 1.768 124.662 122.820 0.123 0.000 2.042 85 A HA -0.257 4.064 4.320 0.002 0.000 0.222 85 A C 2.027 179.665 177.584 0.090 0.000 1.167 85 A CA 1.580 53.702 52.037 0.142 0.000 0.649 85 A CB -0.499 18.663 19.000 0.271 0.000 0.809 85 A HN 0.079 nan 8.150 nan 0.000 0.457 86 R N -1.247 119.288 120.500 0.058 0.000 2.080 86 R HA 0.151 4.493 4.340 0.002 0.000 0.222 86 R C 1.985 178.304 176.300 0.032 0.000 1.107 86 R CA 1.100 57.222 56.100 0.038 0.000 0.980 86 R CB -0.309 30.005 30.300 0.022 0.000 0.879 86 R HN 0.508 nan 8.270 nan 0.000 0.439 87 L N 0.137 121.376 121.223 0.027 0.000 2.217 87 L HA -0.058 4.283 4.340 0.002 0.000 0.211 87 L C 2.215 179.103 176.870 0.029 0.000 1.107 87 L CA 0.952 55.804 54.840 0.021 0.000 0.783 87 L CB -0.067 41.998 42.059 0.011 0.000 0.919 87 L HN 0.053 nan 8.230 nan 0.000 0.442 88 R N 0.143 120.666 120.500 0.039 0.000 2.300 88 R HA 0.094 4.435 4.340 0.002 0.000 0.199 88 R C -0.013 176.314 176.300 0.046 0.000 0.920 88 R CA 0.043 56.168 56.100 0.041 0.000 1.046 88 R CB -0.221 30.106 30.300 0.045 0.000 0.984 88 R HN 0.419 nan 8.270 nan 0.000 0.493 89 N N 0.585 119.315 118.700 0.050 0.000 2.738 89 N HA -0.205 4.536 4.740 0.002 0.000 0.249 89 N C -1.313 174.236 175.510 0.065 0.000 1.047 89 N CA 0.014 53.096 53.050 0.054 0.000 0.707 89 N CB -0.539 37.975 38.487 0.045 0.000 0.937 89 N HN -0.031 nan 8.380 nan 0.000 0.545 90 L N -0.655 120.617 121.223 0.082 0.000 2.319 90 L HA 0.392 4.733 4.340 0.002 0.000 0.267 90 L C 1.584 178.535 176.870 0.135 0.000 1.011 90 L CA -0.170 54.727 54.840 0.095 0.000 0.818 90 L CB 1.531 43.641 42.059 0.086 0.000 1.316 90 L HN 0.023 nan 8.230 nan 0.000 0.432 91 T N 0.163 114.797 114.554 0.133 0.000 3.160 91 T HA -0.061 4.290 4.350 0.002 0.000 0.257 91 T C 0.242 175.092 174.700 0.250 0.000 1.147 91 T CA 0.103 62.301 62.100 0.163 0.000 1.064 91 T CB -0.773 68.169 68.868 0.122 0.000 0.949 91 T HN 0.434 nan 8.240 nan 0.000 0.526 92 Y N 1.536 121.883 120.300 0.079 0.000 2.986 92 Y HA -0.235 4.315 4.550 0.002 0.000 0.200 92 Y C 0.363 176.331 175.900 0.114 0.000 1.324 92 Y CA -0.157 57.992 58.100 0.082 0.000 0.825 92 Y CB -1.432 37.071 38.460 0.072 0.000 1.251 92 Y HN 0.420 nan 8.280 nan 0.000 0.413 93 A N 2.197 125.036 122.820 0.031 0.000 2.392 93 A HA 1.036 5.357 4.320 0.002 0.000 0.283 93 A C -0.496 177.076 177.584 -0.019 0.000 1.197 93 A CA -0.307 51.773 52.037 0.070 0.000 0.895 93 A CB 1.328 20.402 19.000 0.124 0.000 1.400 93 A HN 1.421 nan 8.150 nan 0.000 0.461 94 A N -0.140 122.717 122.820 0.062 0.000 2.469 94 A HA 0.897 5.219 4.320 0.002 0.000 0.299 94 A C -3.095 174.549 177.584 0.101 0.000 1.098 94 A CA -1.756 50.312 52.037 0.052 0.000 0.737 94 A CB 1.534 20.572 19.000 0.064 0.000 1.312 94 A HN 0.533 nan 8.150 nan 0.000 0.414 95 P HA 0.463 nan 4.420 nan 0.000 0.284 95 P C -1.012 176.411 177.300 0.205 0.000 1.258 95 P CA -0.326 62.876 63.100 0.170 0.000 0.824 95 P CB 0.867 32.649 31.700 0.137 0.000 1.038 96 L N 2.776 124.109 121.223 0.183 0.000 2.255 96 L HA 0.227 4.568 4.340 0.002 0.000 0.289 96 L C 1.196 177.869 176.870 -0.328 0.000 1.046 96 L CA -0.586 54.277 54.840 0.039 0.000 0.816 96 L CB 0.292 42.414 42.059 0.104 0.000 1.197 96 L HN 0.488 nan 8.230 nan 0.000 0.427 97 W N 3.537 124.424 121.300 -0.689 0.000 1.579 97 W HA -0.123 4.539 4.660 0.004 0.000 0.279 97 W C 0.762 176.954 176.519 -0.545 0.000 0.896 97 W CA 0.762 57.463 57.345 -1.074 0.000 0.930 97 W CB 0.032 29.180 29.460 -0.519 0.000 1.041 97 W HN 0.280 nan 8.180 nan 0.000 0.529 98 L N 0.335 121.586 121.223 0.047 0.000 1.935 98 L HA -0.189 4.152 4.340 0.002 0.000 0.474 98 L C -0.958 175.974 176.870 0.104 0.000 1.002 98 L CA 0.828 55.703 54.840 0.059 0.000 1.232 98 L CB -1.367 40.749 42.059 0.095 0.000 1.316 98 L HN 0.315 nan 8.230 nan 0.000 0.686 99 T N 8.061 122.659 114.554 0.074 0.000 3.254 99 T HA 0.464 4.815 4.350 0.002 0.000 0.385 99 T C 0.688 175.436 174.700 0.081 0.000 1.528 99 T CA -0.277 61.871 62.100 0.080 0.000 1.212 99 T CB -0.027 68.850 68.868 0.015 0.000 1.145 99 T HN 0.455 nan 8.240 nan 0.000 0.631 100 M N 2.723 122.389 119.600 0.110 0.000 2.243 100 M HA 0.421 4.902 4.480 0.002 0.000 0.341 100 M C -0.254 176.092 176.300 0.077 0.000 1.130 100 M CA 0.183 55.545 55.300 0.102 0.000 1.162 100 M CB 0.688 33.360 32.600 0.120 0.000 1.497 100 M HN 0.386 nan 8.290 nan 0.000 0.456 101 I N 4.157 124.764 120.570 0.061 0.000 2.439 101 I HA 0.374 4.545 4.170 0.002 0.000 0.285 101 I C -2.330 173.812 176.117 0.042 0.000 1.021 101 I CA -2.022 59.307 61.300 0.047 0.000 1.091 101 I CB 1.814 39.836 38.000 0.036 0.000 1.242 101 I HN 0.360 nan 8.210 nan 0.000 0.439 102 P HA 0.271 nan 4.420 nan 0.000 0.276 102 P C -0.703 176.612 177.300 0.024 0.000 1.244 102 P CA -0.348 62.770 63.100 0.030 0.000 0.801 102 P CB 1.096 32.813 31.700 0.028 0.000 1.006 103 V N 1.436 121.362 119.914 0.020 0.000 2.811 103 V HA 0.084 4.205 4.120 0.002 0.000 0.266 103 V C 0.206 176.309 176.094 0.014 0.000 0.872 103 V CA -0.246 62.065 62.300 0.017 0.000 0.992 103 V CB 0.386 32.220 31.823 0.018 0.000 1.016 103 V HN 0.501 nan 8.190 nan 0.000 0.496 104 E N 2.728 122.935 120.200 0.013 0.000 2.705 104 E HA 0.239 4.590 4.350 0.002 0.000 0.272 104 E C 0.912 177.518 176.600 0.010 0.000 1.528 104 E CA -0.030 56.377 56.400 0.011 0.000 1.750 104 E CB -0.094 29.612 29.700 0.010 0.000 1.439 104 E HN 0.692 nan 8.360 nan 0.000 0.449 105 N N 0.518 119.224 118.700 0.010 0.000 2.470 105 N HA -0.117 4.624 4.740 0.002 0.000 0.148 105 N C -0.856 174.660 175.510 0.010 0.000 1.661 105 N CA 0.561 53.617 53.050 0.010 0.000 3.287 105 N CB -0.326 38.166 38.487 0.009 0.000 1.504 105 N HN 0.478 nan 8.380 nan 0.000 1.129 106 N N 0.453 119.160 118.700 0.011 0.000 3.227 106 N HA 0.183 4.924 4.740 0.002 0.000 0.241 106 N C -1.251 174.266 175.510 0.012 0.000 1.480 106 N CA -0.512 52.544 53.050 0.011 0.000 0.886 106 N CB 1.401 39.894 38.487 0.009 0.000 1.406 106 N HN 0.090 nan 8.380 nan 0.000 0.514 107 I N 0.869 121.446 120.570 0.012 0.000 2.517 107 I HA 0.031 4.202 4.170 0.002 0.000 0.285 107 I C -0.276 175.849 176.117 0.014 0.000 1.106 107 I CA 0.612 61.920 61.300 0.013 0.000 1.402 107 I CB -0.076 37.931 38.000 0.011 0.000 1.399 107 I HN 0.764 nan 8.210 nan 0.000 0.535 108 E N 5.712 125.922 120.200 0.017 0.000 2.090 108 E HA 0.714 5.065 4.350 0.002 0.000 0.221 108 E C 0.356 176.969 176.600 0.023 0.000 1.323 108 E CA -0.082 56.329 56.400 0.018 0.000 0.934 108 E CB -0.164 29.546 29.700 0.016 0.000 1.828 108 E HN 0.576 nan 8.360 nan 0.000 0.519 109 A N -0.101 122.733 122.820 0.024 0.000 4.191 109 A HA -0.458 3.863 4.320 0.002 0.000 0.361 109 A C 0.208 177.811 177.584 0.032 0.000 1.622 109 A CA 2.477 54.531 52.037 0.029 0.000 0.840 109 A CB -2.403 16.617 19.000 0.034 0.000 1.507 109 A HN 1.028 nan 8.150 nan 0.000 0.562 110 E N -2.202 118.019 120.200 0.036 0.000 7.490 110 E HA -0.136 4.215 4.350 0.002 0.000 0.427 110 E C -1.920 174.703 176.600 0.039 0.000 0.456 110 E CA 0.347 56.768 56.400 0.034 0.000 0.812 110 E CB -0.361 29.353 29.700 0.024 0.000 0.952 110 E HN 0.565 nan 8.360 nan 0.000 0.270 111 P HA -0.048 nan 4.420 nan 0.000 0.211 111 P C -0.661 176.682 177.300 0.072 0.000 1.188 111 P CA 0.782 63.914 63.100 0.053 0.000 0.904 111 P CB 0.246 31.978 31.700 0.053 0.000 0.765 112 E N -0.559 119.700 120.200 0.097 0.000 3.336 112 E HA -0.094 4.257 4.350 0.002 0.000 0.208 112 E C -1.251 175.443 176.600 0.155 0.000 1.250 112 E CA -0.143 56.327 56.400 0.116 0.000 0.850 112 E CB -1.751 28.003 29.700 0.090 0.000 1.115 112 E HN 0.304 nan 8.360 nan 0.000 0.421 113 E N 1.532 121.864 120.200 0.219 0.000 1.909 113 E HA 0.118 4.469 4.350 0.002 0.000 0.253 113 E C -0.130 176.648 176.600 0.298 0.000 1.268 113 E CA 0.101 56.689 56.400 0.313 0.000 0.999 113 E CB 0.495 30.556 29.700 0.602 0.000 1.072 113 E HN 0.123 nan 8.360 nan 0.000 0.428 114 V N 4.109 124.157 119.914 0.223 0.000 2.432 114 V HA 0.061 4.182 4.120 0.002 0.000 0.271 114 V C -0.160 176.066 176.094 0.220 0.000 1.046 114 V CA -0.602 61.835 62.300 0.230 0.000 0.945 114 V CB -0.358 31.585 31.823 0.199 0.000 0.992 114 V HN 0.488 nan 8.190 nan 0.000 0.471 115 Y N 4.616 124.963 120.300 0.079 0.000 2.309 115 Y HA 0.330 4.882 4.550 0.003 0.000 0.327 115 Y C 1.037 176.980 175.900 0.073 0.000 1.172 115 Y CA -0.358 57.767 58.100 0.041 0.000 1.280 115 Y CB 1.043 39.466 38.460 -0.062 0.000 1.234 115 Y HN 0.403 nan 8.280 nan 0.000 0.512 116 I N 0.187 120.836 120.570 0.133 0.000 3.570 116 I HA 0.291 4.462 4.170 0.002 0.000 0.270 116 I C 1.149 177.220 176.117 -0.076 0.000 1.162 116 I CA 0.695 61.971 61.300 -0.040 0.000 1.413 116 I CB -0.696 37.175 38.000 -0.215 0.000 1.437 116 I HN 0.661 nan 8.210 nan 0.000 0.457 117 G N -0.049 108.756 108.800 0.008 0.000 3.222 117 G HA2 0.487 4.448 3.960 0.002 0.000 0.263 117 G HA3 0.487 4.448 3.960 0.002 0.000 0.263 117 G C -1.883 173.078 174.900 0.102 0.000 1.312 117 G CA -0.093 45.031 45.100 0.041 0.000 0.934 117 G HN 0.055 nan 8.290 nan 0.000 0.577 118 D N -0.532 119.934 120.400 0.109 0.000 2.620 118 D HA 0.448 5.089 4.640 0.002 0.000 0.252 118 D C -0.886 175.516 176.300 0.170 0.000 1.207 118 D CA -0.323 53.751 54.000 0.123 0.000 0.884 118 D CB 2.081 42.935 40.800 0.090 0.000 1.262 118 D HN 0.314 nan 8.370 nan 0.000 0.552 119 L N 4.761 126.112 121.223 0.213 0.000 2.265 119 L HA 0.572 4.913 4.340 0.002 0.000 0.288 119 L C -2.559 174.507 176.870 0.326 0.000 1.058 119 L CA -1.655 53.371 54.840 0.311 0.000 0.809 119 L CB 0.884 43.152 42.059 0.348 0.000 1.179 119 L HN 0.171 nan 8.230 nan 0.000 0.429 120 P HA 0.092 nan 4.420 nan 0.000 0.264 120 P C -0.899 176.725 177.300 0.540 0.000 1.193 120 P CA 0.162 63.512 63.100 0.416 0.000 0.763 120 P CB 0.323 32.240 31.700 0.363 0.000 0.810 121 I N 4.030 124.911 120.570 0.518 0.000 2.359 121 I HA 0.327 4.498 4.170 0.002 0.000 0.294 121 I C 0.639 176.986 176.117 0.383 0.000 0.987 121 I CA -0.703 60.887 61.300 0.483 0.000 1.225 121 I CB 0.845 39.031 38.000 0.310 0.000 1.366 121 I HN 0.388 nan 8.210 nan 0.000 0.466 122 M N 5.079 124.661 119.600 -0.031 0.000 2.235 122 M HA 0.247 4.728 4.480 0.002 0.000 0.351 122 M C -0.581 175.461 176.300 -0.429 0.000 1.178 122 M CA -0.702 54.081 55.300 -0.861 0.000 1.143 122 M CB 0.965 32.485 32.600 -1.800 0.000 1.530 122 M HN 0.271 nan 8.290 nan 0.000 0.461 123 L N 4.260 125.112 121.223 -0.618 0.000 2.464 123 L HA 0.121 4.463 4.340 0.002 0.000 0.264 123 L C 1.138 177.824 176.870 -0.307 0.000 1.199 123 L CA 0.842 55.389 54.840 -0.488 0.000 0.818 123 L CB 0.138 41.695 42.059 -0.837 0.000 1.102 123 L HN 0.757 nan 8.230 nan 0.000 0.473 124 K N -0.650 119.642 120.400 -0.180 0.000 2.887 124 K HA -0.241 4.081 4.320 0.002 0.000 0.265 124 K C 0.091 176.672 176.600 -0.032 0.000 1.023 124 K CA 0.985 57.225 56.287 -0.078 0.000 0.787 124 K CB -0.876 31.578 32.500 -0.077 0.000 1.213 124 K HN 0.820 nan 8.250 nan 0.000 0.462 125 S N -1.164 114.523 115.700 -0.022 0.000 2.585 125 S HA 0.457 4.929 4.470 0.002 0.000 0.273 125 S C 1.590 176.243 174.600 0.088 0.000 1.339 125 S CA -0.215 58.028 58.200 0.071 0.000 1.028 125 S CB 1.823 65.150 63.200 0.211 0.000 0.906 125 S HN 0.268 nan 8.310 nan 0.000 0.528 126 A N 2.482 125.349 122.820 0.079 0.000 1.882 126 A HA -0.225 4.096 4.320 0.002 0.000 0.220 126 A C 2.013 179.629 177.584 0.054 0.000 1.253 126 A CA 2.191 54.257 52.037 0.047 0.000 0.664 126 A CB -1.251 17.760 19.000 0.019 0.000 0.838 126 A HN 1.057 nan 8.150 nan 0.000 0.460 127 I N 0.252 120.858 120.570 0.060 0.000 2.493 127 I HA -0.090 4.081 4.170 0.002 0.000 0.254 127 I C 0.655 176.830 176.117 0.096 0.000 1.160 127 I CA 0.833 62.168 61.300 0.059 0.000 1.445 127 I CB -0.404 37.614 38.000 0.030 0.000 1.086 127 I HN 0.423 nan 8.210 nan 0.000 0.433 128 D N 0.565 121.041 120.400 0.127 0.000 2.450 128 D HA 0.004 4.645 4.640 0.002 0.000 0.247 128 D C -1.626 174.751 176.300 0.129 0.000 1.162 128 D CA -1.356 52.724 54.000 0.135 0.000 0.879 128 D CB 1.090 41.972 40.800 0.136 0.000 1.163 128 D HN 0.040 nan 8.370 nan 0.000 0.472 129 P HA -0.158 nan 4.420 nan 0.000 0.218 129 P C 1.264 178.773 177.300 0.349 0.000 1.146 129 P CA 1.094 64.307 63.100 0.188 0.000 0.813 129 P CB 0.056 31.863 31.700 0.178 0.000 0.778 130 I N -1.349 119.387 120.570 0.276 0.000 2.264 130 I HA -0.264 3.907 4.170 0.002 0.000 0.248 130 I C 2.428 178.717 176.117 0.287 0.000 1.111 130 I CA 1.354 62.784 61.300 0.217 0.000 1.382 130 I CB -1.074 36.905 38.000 -0.035 0.000 1.060 130 I HN 0.011 nan 8.210 nan 0.000 0.418 131 S N 0.370 116.169 115.700 0.165 0.000 2.408 131 S HA -0.267 4.204 4.470 0.002 0.000 0.241 131 S C 1.480 176.155 174.600 0.126 0.000 1.080 131 S CA 1.755 60.021 58.200 0.109 0.000 1.109 131 S CB -0.137 63.109 63.200 0.077 0.000 0.966 131 S HN 0.415 nan 8.310 nan 0.000 0.449 132 Q N 0.423 120.312 119.800 0.148 0.000 2.490 132 Q HA 0.330 4.671 4.340 0.002 0.000 0.397 132 Q C -1.657 174.365 176.000 0.037 0.000 0.937 132 Q CA -0.074 55.772 55.803 0.072 0.000 1.108 132 Q CB 0.421 29.161 28.738 0.003 0.000 1.336 132 Q HN 0.544 nan 8.270 nan 0.000 0.410 133 Y N -0.542 119.761 120.300 0.005 0.000 2.420 133 Y HA 0.332 4.883 4.550 0.002 0.000 0.334 133 Y C 1.033 176.934 175.900 0.001 0.000 1.094 133 Y CA -0.606 57.496 58.100 0.003 0.000 1.126 133 Y CB 1.484 39.947 38.460 0.005 0.000 1.217 133 Y HN -0.090 nan 8.280 nan 0.000 0.462 134 T N 2.562 117.200 114.554 0.139 0.000 2.868 134 T HA 0.096 4.447 4.350 0.002 0.000 0.292 134 T C 1.440 176.195 174.700 0.091 0.000 1.028 134 T CA -0.298 61.853 62.100 0.085 0.000 1.059 134 T CB 0.341 69.236 68.868 0.045 0.000 0.991 134 T HN 0.802 nan 8.240 nan 0.000 0.531 135 L N 2.763 124.018 121.223 0.054 0.000 2.011 135 L HA -0.241 4.100 4.340 0.002 0.000 0.225 135 L C 2.290 179.178 176.870 0.029 0.000 1.084 135 L CA 2.293 57.153 54.840 0.033 0.000 0.791 135 L CB -0.388 41.681 42.059 0.017 0.000 0.898 135 L HN 0.786 nan 8.230 nan 0.000 0.440 136 D N -0.706 119.712 120.400 0.030 0.000 2.221 136 D HA -0.210 4.431 4.640 0.002 0.000 0.204 136 D C 2.041 178.368 176.300 0.044 0.000 0.982 136 D CA 1.130 55.145 54.000 0.025 0.000 0.857 136 D CB -0.000 40.812 40.800 0.021 0.000 0.934 136 D HN 0.443 nan 8.370 nan 0.000 0.475 137 K N 0.163 120.616 120.400 0.088 0.000 2.296 137 K HA -0.049 4.272 4.320 0.002 0.000 0.200 137 K C 2.009 178.677 176.600 0.113 0.000 1.048 137 K CA 0.214 56.600 56.287 0.165 0.000 0.966 137 K CB 0.196 32.874 32.500 0.297 0.000 0.754 137 K HN 0.098 nan 8.250 nan 0.000 0.466 138 L N 0.346 121.582 121.223 0.022 0.000 2.209 138 L HA -0.021 4.321 4.340 0.002 0.000 0.207 138 L C 1.980 178.804 176.870 -0.078 0.000 1.094 138 L CA 0.790 55.568 54.840 -0.104 0.000 0.790 138 L CB -0.256 41.742 42.059 -0.101 0.000 0.932 138 L HN 0.039 nan 8.230 nan 0.000 0.447 139 I N -0.175 120.371 120.570 -0.040 0.000 2.194 139 I HA -0.329 3.843 4.170 0.002 0.000 0.246 139 I C 2.342 178.436 176.117 -0.038 0.000 1.093 139 I CA 1.472 62.747 61.300 -0.042 0.000 1.355 139 I CB -0.433 37.548 38.000 -0.030 0.000 1.046 139 I HN 0.330 nan 8.210 nan 0.000 0.413 140 E N 1.064 121.254 120.200 -0.017 0.000 2.058 140 E HA -0.230 4.121 4.350 0.002 0.000 0.194 140 E C 2.275 178.862 176.600 -0.023 0.000 0.997 140 E CA 1.510 57.907 56.400 -0.006 0.000 0.801 140 E CB -0.283 29.435 29.700 0.030 0.000 0.746 140 E HN 0.501 nan 8.360 nan 0.000 0.450 141 I N -0.054 120.483 120.570 -0.055 0.000 2.194 141 I HA -0.200 3.971 4.170 0.002 0.000 0.246 141 I C 1.641 177.717 176.117 -0.068 0.000 1.093 141 I CA 1.434 62.680 61.300 -0.089 0.000 1.355 141 I CB -0.285 37.589 38.000 -0.210 0.000 1.046 141 I HN 0.383 nan 8.210 nan 0.000 0.413 142 G N 1.078 109.834 108.800 -0.073 0.000 2.157 142 G HA2 -0.130 3.831 3.960 0.002 0.000 0.118 142 G HA3 -0.130 3.831 3.960 0.002 0.000 0.118 142 G C -0.055 174.800 174.900 -0.075 0.000 1.032 142 G CA 0.016 45.076 45.100 -0.067 0.000 0.697 142 G HN 0.540 nan 8.290 nan 0.000 0.495 143 E N 0.077 120.228 120.200 -0.082 0.000 2.423 143 E HA 0.592 4.943 4.350 0.002 0.000 0.269 143 E C -1.079 175.480 176.600 -0.068 0.000 0.948 143 E CA -0.891 55.465 56.400 -0.074 0.000 0.802 143 E CB 1.294 30.954 29.700 -0.065 0.000 1.339 143 E HN 0.077 nan 8.360 nan 0.000 0.445 144 D N 1.438 121.805 120.400 -0.054 0.000 2.343 144 D HA 0.062 4.703 4.640 0.002 0.000 0.255 144 D C -1.510 174.776 176.300 -0.024 0.000 1.187 144 D CA -1.859 52.111 54.000 -0.051 0.000 0.875 144 D CB 1.264 42.024 40.800 -0.067 0.000 1.136 144 D HN 0.206 nan 8.370 nan 0.000 0.469 145 P HA -0.112 nan 4.420 nan 0.000 0.223 145 P C 0.830 178.142 177.300 0.019 0.000 1.151 145 P CA 0.820 63.913 63.100 -0.011 0.000 0.787 145 P CB 0.365 32.056 31.700 -0.015 0.000 0.788 146 K N -0.266 120.147 120.400 0.023 0.000 2.459 146 K HA -0.001 4.320 4.320 0.002 0.000 0.193 146 K C 0.526 177.246 176.600 0.200 0.000 1.030 146 K CA -0.147 56.194 56.287 0.091 0.000 1.026 146 K CB -0.342 32.177 32.500 0.030 0.000 0.809 146 K HN 0.102 nan 8.250 nan 0.000 0.504 147 D N 1.494 121.986 120.400 0.153 0.000 2.533 147 D HA -0.054 4.588 4.640 0.002 0.000 0.236 147 D C -1.321 175.071 176.300 0.153 0.000 1.137 147 D CA -1.212 52.906 54.000 0.196 0.000 0.867 147 D CB 1.040 41.928 40.800 0.146 0.000 1.170 147 D HN -0.030 nan 8.370 nan 0.000 0.474 148 P HA 0.129 nan 4.420 nan 0.000 0.227 148 P C 0.674 177.999 177.300 0.041 0.000 1.161 148 P CA 0.620 63.769 63.100 0.082 0.000 0.788 148 P CB -0.049 31.670 31.700 0.032 0.000 0.822 149 G N -0.393 108.452 108.800 0.074 0.000 2.907 149 G HA2 0.040 4.001 3.960 0.002 0.000 0.242 149 G HA3 0.040 4.001 3.960 0.002 0.000 0.242 149 G C 0.627 175.464 174.900 -0.104 0.000 1.448 149 G CA 0.182 45.186 45.100 -0.160 0.000 0.911 149 G HN 0.674 nan 8.290 nan 0.000 0.553 150 G N -2.544 106.079 108.800 -0.295 0.000 2.284 150 G HA2 0.174 4.135 3.960 0.002 0.000 0.201 150 G HA3 0.174 4.135 3.960 0.002 0.000 0.201 150 G C 0.419 175.078 174.900 -0.402 0.000 0.998 150 G CA 0.872 45.809 45.100 -0.273 0.000 0.651 150 G HN 2.335 nan 8.290 nan 0.000 0.489 151 Y N -0.064 119.957 120.300 -0.465 0.000 2.488 151 Y HA 0.826 5.377 4.550 0.002 0.000 0.325 151 Y C 0.119 175.642 175.900 -0.629 0.000 1.204 151 Y CA -2.023 55.804 58.100 -0.456 0.000 1.229 151 Y CB 0.753 39.089 38.460 -0.206 0.000 1.274 151 Y HN -0.019 nan 8.280 nan 0.000 0.493 152 F N 0.770 120.703 119.950 -0.028 0.000 2.450 152 F HA 0.600 5.128 4.527 0.002 0.000 0.328 152 F C -0.238 175.569 175.800 0.012 0.000 1.068 152 F CA -1.183 56.784 58.000 -0.056 0.000 1.007 152 F CB 1.371 40.398 39.000 0.046 0.000 1.251 152 F HN 0.293 nan 8.300 nan 0.000 0.492 153 I N 3.085 123.750 120.570 0.158 0.000 2.437 153 I HA 0.300 4.471 4.170 0.002 0.000 0.279 153 I C -0.956 175.271 176.117 0.184 0.000 1.028 153 I CA -0.895 60.473 61.300 0.114 0.000 1.142 153 I CB 1.100 39.064 38.000 -0.060 0.000 1.266 153 I HN 0.282 nan 8.210 nan 0.000 0.461 154 V N 3.083 123.095 119.914 0.164 0.000 2.481 154 V HA 0.409 4.530 4.120 0.002 0.000 0.286 154 V C 0.761 176.918 176.094 0.105 0.000 1.042 154 V CA -0.828 61.553 62.300 0.135 0.000 0.928 154 V CB 1.210 33.096 31.823 0.104 0.000 0.986 154 V HN 0.902 nan 8.190 nan 0.000 0.462 155 N N 3.069 121.829 118.700 0.099 0.000 2.701 155 N HA -0.278 4.464 4.740 0.002 0.000 0.257 155 N C 1.259 176.810 175.510 0.069 0.000 0.969 155 N CA 1.187 54.283 53.050 0.078 0.000 0.786 155 N CB -1.308 37.218 38.487 0.065 0.000 0.917 155 N HN 1.940 nan 8.380 nan 0.000 0.541 156 G N -1.423 107.423 108.800 0.077 0.000 2.196 156 G HA2 -0.438 3.523 3.960 0.002 0.000 0.268 156 G HA3 -0.438 3.523 3.960 0.002 0.000 0.268 156 G C 1.095 176.024 174.900 0.049 0.000 0.975 156 G CA 1.515 46.651 45.100 0.060 0.000 0.648 156 G HN 0.858 nan 8.290 nan 0.000 0.538 157 S N -0.518 115.214 115.700 0.053 0.000 2.371 157 S HA 0.330 4.801 4.470 0.002 0.000 0.221 157 S C 0.666 175.287 174.600 0.034 0.000 1.036 157 S CA 1.104 59.324 58.200 0.033 0.000 0.965 157 S CB 0.089 63.308 63.200 0.031 0.000 0.845 157 S HN 1.230 nan 8.310 nan 0.000 0.475 158 E N 0.429 120.678 120.200 0.081 0.000 6.247 158 E HA -0.057 4.295 4.350 0.002 0.000 0.184 158 E C -0.948 175.710 176.600 0.096 0.000 1.139 158 E CA -0.117 56.358 56.400 0.125 0.000 1.420 158 E CB -0.724 28.987 29.700 0.019 0.000 0.963 158 E HN 0.322 nan 8.360 nan 0.000 0.328 159 R N 0.820 121.412 120.500 0.154 0.000 2.404 159 R HA 0.633 4.975 4.340 0.002 0.000 0.291 159 R C -0.589 175.841 176.300 0.217 0.000 1.025 159 R CA -0.465 55.721 56.100 0.145 0.000 0.991 159 R CB 1.776 32.145 30.300 0.116 0.000 1.053 159 R HN 0.192 nan 8.270 nan 0.000 0.479 160 V N 4.808 124.814 119.914 0.154 0.000 2.540 160 V HA 0.391 4.512 4.120 0.002 0.000 0.302 160 V C -0.396 175.743 176.094 0.075 0.000 1.035 160 V CA -0.914 61.463 62.300 0.127 0.000 0.873 160 V CB 1.626 33.439 31.823 -0.017 0.000 0.992 160 V HN 0.631 nan 8.190 nan 0.000 0.428 161 I N 7.311 127.971 120.570 0.150 0.000 2.573 161 I HA 0.068 4.240 4.170 0.002 0.000 0.295 161 I C 0.333 176.507 176.117 0.096 0.000 1.141 161 I CA 0.721 62.105 61.300 0.140 0.000 1.364 161 I CB 0.923 39.093 38.000 0.283 0.000 1.447 161 I HN 0.416 nan 8.210 nan 0.000 0.571 162 V N 7.372 127.301 119.914 0.025 0.000 2.432 162 V HA 0.110 4.231 4.120 0.002 0.000 0.271 162 V C 0.980 177.135 176.094 0.102 0.000 1.046 162 V CA -0.308 61.997 62.300 0.008 0.000 0.945 162 V CB 1.568 33.300 31.823 -0.152 0.000 0.992 162 V HN 0.883 nan 8.190 nan 0.000 0.471 163 T N 7.197 121.863 114.554 0.187 0.000 2.709 163 T HA -0.002 4.349 4.350 0.002 0.000 0.269 163 T C 0.306 175.031 174.700 0.041 0.000 1.008 163 T CA 0.261 62.411 62.100 0.083 0.000 1.194 163 T CB -0.142 68.727 68.868 0.002 0.000 0.986 163 T HN 0.874 nan 8.240 nan 0.000 0.508 164 Q N 3.385 123.205 119.800 0.033 0.000 2.316 164 Q HA 0.314 4.656 4.340 0.002 0.000 0.215 164 Q C 0.064 176.076 176.000 0.021 0.000 1.020 164 Q CA -0.426 55.390 55.803 0.022 0.000 0.970 164 Q CB 0.821 29.568 28.738 0.015 0.000 1.187 164 Q HN 0.866 nan 8.270 nan 0.000 0.546 165 E N 1.560 121.772 120.200 0.020 0.000 2.518 165 E HA 0.144 4.496 4.350 0.002 0.000 0.240 165 E C -1.101 175.501 176.600 0.004 0.000 0.996 165 E CA -0.440 55.976 56.400 0.027 0.000 0.768 165 E CB 0.617 30.348 29.700 0.053 0.000 1.329 165 E HN 0.360 nan 8.360 nan 0.000 0.408 166 D N 3.077 123.475 120.400 -0.004 0.000 2.364 166 D HA -0.032 4.609 4.640 0.002 0.000 0.236 166 D C 1.635 177.913 176.300 -0.036 0.000 1.221 166 D CA 0.165 54.153 54.000 -0.019 0.000 0.891 166 D CB 0.901 41.689 40.800 -0.020 0.000 1.190 166 D HN 0.437 nan 8.370 nan 0.000 0.449 167 L N 0.198 121.397 121.223 -0.041 0.000 1.899 167 L HA 0.130 4.471 4.340 0.002 0.000 0.220 167 L C 1.042 177.876 176.870 -0.059 0.000 1.091 167 L CA 1.172 55.979 54.840 -0.055 0.000 0.781 167 L CB -0.564 41.471 42.059 -0.041 0.000 0.886 167 L HN 0.436 nan 8.230 nan 0.000 0.430 168 A N -1.145 121.651 122.820 -0.042 0.000 2.582 168 A HA 0.634 4.955 4.320 0.002 0.000 0.297 168 A C -2.796 174.774 177.584 -0.022 0.000 1.059 168 A CA -0.827 51.190 52.037 -0.034 0.000 0.705 168 A CB 0.830 19.807 19.000 -0.037 0.000 1.279 168 A HN 0.104 nan 8.150 nan 0.000 0.404 169 P HA 0.510 nan 4.420 nan 0.000 0.290 169 P C 0.085 177.376 177.300 -0.015 0.000 1.276 169 P CA 0.193 63.273 63.100 -0.032 0.000 0.808 169 P CB 0.975 32.642 31.700 -0.054 0.000 0.966 170 N N 0.857 119.570 118.700 0.022 0.000 1.308 170 N HA -0.210 4.531 4.740 0.002 0.000 0.165 170 N C -0.393 175.188 175.510 0.118 0.000 0.874 170 N CA 1.098 54.238 53.050 0.150 0.000 1.035 170 N CB -1.501 37.051 38.487 0.108 0.000 1.338 170 N HN 0.897 nan 8.380 nan 0.000 0.503 171 R N -0.565 119.997 120.500 0.104 0.000 3.593 171 R HA -0.077 4.264 4.340 0.002 0.000 0.104 171 R C -0.634 175.703 176.300 0.062 0.000 0.919 171 R CA 0.736 56.876 56.100 0.067 0.000 0.706 171 R CB -1.275 29.047 30.300 0.037 0.000 1.374 171 R HN 0.349 nan 8.270 nan 0.000 0.191 172 V N 4.302 124.262 119.914 0.076 0.000 2.432 172 V HA 0.354 4.475 4.120 0.002 0.000 0.271 172 V C 0.679 176.803 176.094 0.050 0.000 1.046 172 V CA -0.387 61.959 62.300 0.076 0.000 0.945 172 V CB 0.856 32.747 31.823 0.114 0.000 0.992 172 V HN 0.462 nan 8.190 nan 0.000 0.471 173 L N 5.725 126.969 121.223 0.036 0.000 2.356 173 L HA 0.621 4.962 4.340 0.002 0.000 0.277 173 L C -0.413 176.469 176.870 0.020 0.000 0.996 173 L CA -0.669 54.182 54.840 0.018 0.000 0.822 173 L CB 2.041 44.102 42.059 0.003 0.000 1.256 173 L HN 0.383 nan 8.230 nan 0.000 0.413 174 V N 1.202 121.123 119.914 0.013 0.000 2.837 174 V HA 0.535 4.656 4.120 0.002 0.000 0.310 174 V C -0.485 175.614 176.094 0.010 0.000 1.059 174 V CA -0.355 61.952 62.300 0.012 0.000 1.004 174 V CB 2.007 33.828 31.823 -0.003 0.000 1.045 174 V HN 0.706 nan 8.190 nan 0.000 0.465 175 D N -0.093 120.320 120.400 0.021 0.000 2.867 175 D HA 0.680 5.321 4.640 0.002 0.000 0.308 175 D C -1.272 175.066 176.300 0.062 0.000 1.202 175 D CA -0.181 53.835 54.000 0.027 0.000 1.035 175 D CB 2.553 43.364 40.800 0.017 0.000 1.427 175 D HN 0.605 nan 8.370 nan 0.000 0.570 176 T N -0.066 114.515 114.554 0.045 0.000 3.798 176 T HA 0.593 4.944 4.350 0.002 0.000 0.339 176 T C -0.086 174.593 174.700 -0.034 0.000 0.967 176 T CA -0.708 61.408 62.100 0.027 0.000 1.046 176 T CB 1.147 70.075 68.868 0.099 0.000 1.092 176 T HN 0.443 nan 8.240 nan 0.000 0.465 177 G N 2.510 111.271 108.800 -0.064 0.000 2.606 177 G HA2 0.506 4.467 3.960 0.002 0.000 0.252 177 G HA3 0.506 4.467 3.960 0.002 0.000 0.252 177 G C -0.287 174.565 174.900 -0.080 0.000 1.206 177 G CA -0.675 44.388 45.100 -0.062 0.000 0.861 177 G HN 0.483 nan 8.290 nan 0.000 0.561 178 K N 1.159 121.522 120.400 -0.061 0.000 2.249 178 K HA 0.221 4.542 4.320 0.002 0.000 0.280 178 K C 0.724 177.285 176.600 -0.065 0.000 1.033 178 K CA -0.234 56.016 56.287 -0.062 0.000 0.946 178 K CB 0.686 33.158 32.500 -0.046 0.000 1.005 178 K HN 0.521 nan 8.250 nan 0.000 0.469 179 T N 0.326 114.837 114.554 -0.071 0.000 2.898 179 T HA 0.171 4.522 4.350 0.002 0.000 0.331 179 T C 1.110 175.778 174.700 -0.052 0.000 1.085 179 T CA 0.975 63.033 62.100 -0.070 0.000 1.129 179 T CB 0.100 68.930 68.868 -0.062 0.000 1.054 179 T HN 0.811 nan 8.240 nan 0.000 0.540 180 G N 0.399 109.169 108.800 -0.050 0.000 2.192 180 G HA2 -0.041 3.920 3.960 0.002 0.000 0.152 180 G HA3 -0.041 3.920 3.960 0.002 0.000 0.152 180 G C 0.516 175.393 174.900 -0.039 0.000 1.057 180 G CA 0.160 45.238 45.100 -0.037 0.000 0.748 180 G HN 0.646 nan 8.290 nan 0.000 0.488 181 S N -0.413 115.258 115.700 -0.048 0.000 2.691 181 S HA 0.259 4.730 4.470 0.002 0.000 0.241 181 S C 1.572 176.152 174.600 -0.033 0.000 1.077 181 S CA 0.860 59.032 58.200 -0.048 0.000 0.900 181 S CB 0.131 63.289 63.200 -0.071 0.000 0.805 181 S HN 0.678 nan 8.310 nan 0.000 0.529 182 N N 0.059 118.742 118.700 -0.028 0.000 2.780 182 N HA -0.164 4.577 4.740 0.002 0.000 0.196 182 N C -0.662 174.853 175.510 0.009 0.000 1.276 182 N CA 1.208 54.259 53.050 0.001 0.000 1.807 182 N CB -1.104 37.395 38.487 0.020 0.000 0.922 182 N HN 0.451 nan 8.380 nan 0.000 0.521 183 I N 0.726 121.285 120.570 -0.020 0.000 2.378 183 I HA 0.485 4.656 4.170 0.002 0.000 0.291 183 I C 1.230 177.255 176.117 -0.154 0.000 0.992 183 I CA -0.564 60.703 61.300 -0.055 0.000 1.154 183 I CB 0.806 38.783 38.000 -0.037 0.000 1.315 183 I HN 0.002 nan 8.210 nan 0.000 0.448 184 T N 4.581 118.980 114.554 -0.259 0.000 2.523 184 T HA -0.033 4.319 4.350 0.002 0.000 0.253 184 T C 0.934 175.354 174.700 -0.466 0.000 1.139 184 T CA 1.374 63.202 62.100 -0.453 0.000 1.230 184 T CB -0.556 67.877 68.868 -0.726 0.000 0.871 184 T HN 0.651 nan 8.240 nan 0.000 0.396 185 H N 0.037 118.950 119.070 -0.262 0.000 2.523 185 H HA 0.640 5.197 4.556 0.002 0.000 0.317 185 H C -0.035 175.208 175.328 -0.143 0.000 1.511 185 H CA -0.095 55.846 56.048 -0.178 0.000 1.499 185 H CB 0.984 30.641 29.762 -0.174 0.000 1.742 185 H HN 0.301 nan 8.280 nan 0.000 0.750 186 T N -1.124 113.461 114.554 0.052 0.000 2.840 186 T HA 0.575 4.926 4.350 0.002 0.000 0.317 186 T C -1.802 172.915 174.700 0.028 0.000 1.401 186 T CA -0.460 61.647 62.100 0.012 0.000 1.028 186 T CB 1.429 70.299 68.868 0.003 0.000 1.317 186 T HN 0.822 nan 8.240 nan 0.000 0.495 187 A N 2.626 125.467 122.820 0.035 0.000 2.414 187 A HA 0.859 5.180 4.320 0.002 0.000 0.306 187 A C -0.969 176.645 177.584 0.051 0.000 1.054 187 A CA -0.775 51.290 52.037 0.046 0.000 0.724 187 A CB 1.765 20.802 19.000 0.061 0.000 1.267 187 A HN 0.856 nan 8.150 nan 0.000 0.418 188 K N 1.485 121.910 120.400 0.043 0.000 2.375 188 K HA 0.837 5.158 4.320 0.002 0.000 0.249 188 K C -1.742 174.881 176.600 0.038 0.000 0.942 188 K CA -0.507 55.803 56.287 0.038 0.000 0.806 188 K CB 1.470 33.985 32.500 0.024 0.000 1.227 188 K HN 0.656 nan 8.250 nan 0.000 0.430 189 I N 3.837 124.427 120.570 0.034 0.000 2.686 189 I HA 0.356 4.527 4.170 0.002 0.000 0.295 189 I C -0.892 175.244 176.117 0.031 0.000 1.114 189 I CA -0.905 60.416 61.300 0.036 0.000 1.038 189 I CB 2.144 40.160 38.000 0.027 0.000 1.238 189 I HN 0.539 nan 8.210 nan 0.000 0.420 190 I N 4.813 125.408 120.570 0.042 0.000 2.502 190 I HA 0.171 4.342 4.170 0.002 0.000 0.276 190 I C 0.109 176.266 176.117 0.067 0.000 1.057 190 I CA -0.225 61.093 61.300 0.030 0.000 1.163 190 I CB 1.230 39.230 38.000 0.000 0.000 1.288 190 I HN 0.538 nan 8.210 nan 0.000 0.479 191 S N 3.190 118.967 115.700 0.127 0.000 2.549 191 S HA 0.331 4.802 4.470 0.002 0.000 0.279 191 S C 0.963 175.558 174.600 -0.008 0.000 1.321 191 S CA -0.351 57.961 58.200 0.186 0.000 1.054 191 S CB 1.673 65.089 63.200 0.361 0.000 0.899 191 S HN 0.672 nan 8.310 nan 0.000 0.497 192 S N 2.168 117.791 115.700 -0.128 0.000 2.979 192 S HA 0.479 4.950 4.470 0.002 0.000 0.243 192 S C 0.540 175.096 174.600 -0.073 0.000 1.036 192 S CA 0.518 58.664 58.200 -0.089 0.000 0.846 192 S CB -0.400 62.751 63.200 -0.083 0.000 0.806 192 S HN 1.138 nan 8.310 nan 0.000 0.568 193 T N -1.608 112.870 114.554 -0.125 0.000 2.649 193 T HA 0.737 5.088 4.350 0.002 0.000 0.287 193 T C 0.021 174.677 174.700 -0.072 0.000 1.933 193 T CA -0.280 61.788 62.100 -0.053 0.000 0.943 193 T CB 0.758 69.647 68.868 0.035 0.000 2.078 193 T HN 1.066 nan 8.240 nan 0.000 0.455 194 A N -0.491 122.338 122.820 0.017 0.000 1.429 194 A HA 0.722 5.043 4.320 0.002 0.000 0.212 194 A C 1.274 178.899 177.584 0.069 0.000 1.863 194 A CA 0.766 52.818 52.037 0.025 0.000 1.494 194 A CB -0.355 18.661 19.000 0.027 0.000 1.413 194 A HN 1.864 nan 8.150 nan 0.000 0.338 195 G N -1.826 107.056 108.800 0.137 0.000 4.110 195 G HA2 0.476 4.437 3.960 0.002 0.000 0.292 195 G HA3 0.476 4.437 3.960 0.002 0.000 0.292 195 G C 0.111 175.175 174.900 0.273 0.000 1.020 195 G CA 0.382 45.584 45.100 0.169 0.000 0.808 195 G HN 0.263 nan 8.290 nan 0.000 0.474 196 Y N -0.024 120.304 120.300 0.047 0.000 2.977 196 Y HA 0.469 5.020 4.550 0.002 0.000 0.130 196 Y C 1.629 177.563 175.900 0.057 0.000 0.885 196 Y CA -0.070 58.066 58.100 0.060 0.000 1.879 196 Y CB 0.434 38.941 38.460 0.079 0.000 1.258 196 Y HN -0.097 nan 8.280 nan 0.000 0.284 197 R N -0.689 119.960 120.500 0.249 0.000 3.149 197 R HA 0.674 5.015 4.340 0.002 0.000 0.213 197 R C -1.207 175.143 176.300 0.085 0.000 1.639 197 R CA -0.566 55.620 56.100 0.144 0.000 0.930 197 R CB 0.131 30.524 30.300 0.155 0.000 2.313 197 R HN -0.011 nan 8.270 nan 0.000 0.533 198 V N 2.337 122.282 119.914 0.051 0.000 2.570 198 V HA 0.219 4.340 4.120 0.002 0.000 0.271 198 V C -2.360 173.720 176.094 -0.022 0.000 1.005 198 V CA -0.990 61.316 62.300 0.012 0.000 1.111 198 V CB 0.504 32.331 31.823 0.007 0.000 1.259 198 V HN 0.564 nan 8.190 nan 0.000 0.571 199 P HA 0.479 nan 4.420 nan 0.000 0.297 199 P C -0.865 176.391 177.300 -0.073 0.000 1.307 199 P CA -0.620 62.439 63.100 -0.069 0.000 0.773 199 P CB 1.608 33.255 31.700 -0.089 0.000 1.265 200 V N -0.003 119.852 119.914 -0.098 0.000 2.380 200 V HA 0.315 4.436 4.120 0.002 0.000 0.286 200 V C -0.924 175.106 176.094 -0.106 0.000 1.015 200 V CA -0.109 62.140 62.300 -0.084 0.000 0.834 200 V CB 0.948 32.723 31.823 -0.081 0.000 1.009 200 V HN 0.501 nan 8.190 nan 0.000 0.428 201 T N 8.021 122.525 114.554 -0.084 0.000 2.756 201 T HA 0.560 4.911 4.350 0.002 0.000 0.290 201 T C 0.046 174.693 174.700 -0.089 0.000 0.985 201 T CA -0.046 61.984 62.100 -0.117 0.000 0.955 201 T CB 0.767 69.587 68.868 -0.080 0.000 0.930 201 T HN 0.471 nan 8.240 nan 0.000 0.451 202 I N 3.225 123.718 120.570 -0.128 0.000 2.938 202 I HA 0.226 4.397 4.170 0.002 0.000 0.285 202 I C 0.699 176.791 176.117 -0.041 0.000 1.182 202 I CA 0.224 61.478 61.300 -0.078 0.000 1.388 202 I CB 0.477 38.428 38.000 -0.080 0.000 1.390 202 I HN 0.370 nan 8.210 nan 0.000 0.600 203 E N 4.625 124.833 120.200 0.013 0.000 2.287 203 E HA 0.452 4.804 4.350 0.002 0.000 0.274 203 E C -1.211 175.435 176.600 0.076 0.000 0.896 203 E CA -0.785 55.653 56.400 0.064 0.000 0.788 203 E CB 1.852 31.552 29.700 -0.001 0.000 1.244 203 E HN 0.384 nan 8.360 nan 0.000 0.408 204 R N 2.698 123.271 120.500 0.121 0.000 2.502 204 R HA 0.515 4.856 4.340 0.002 0.000 0.298 204 R C -0.422 175.958 176.300 0.132 0.000 1.018 204 R CA -0.509 55.654 56.100 0.104 0.000 0.899 204 R CB 1.658 32.008 30.300 0.084 0.000 1.181 204 R HN 0.263 nan 8.270 nan 0.000 0.444 205 L N 2.994 124.284 121.223 0.113 0.000 2.325 205 L HA 0.538 4.879 4.340 0.002 0.000 0.279 205 L C 0.007 176.912 176.870 0.059 0.000 1.054 205 L CA -0.639 54.273 54.840 0.120 0.000 0.804 205 L CB 1.337 43.468 42.059 0.121 0.000 1.200 205 L HN 0.399 nan 8.230 nan 0.000 0.436 206 K N 1.655 122.078 120.400 0.037 0.000 2.328 206 K HA 0.525 4.846 4.320 0.002 0.000 0.246 206 K C -1.598 174.829 176.600 -0.290 0.000 0.955 206 K CA -0.922 55.336 56.287 -0.048 0.000 0.817 206 K CB 2.262 34.785 32.500 0.038 0.000 1.208 206 K HN 0.395 nan 8.250 nan 0.000 0.432 207 D N -0.016 120.157 120.400 -0.379 0.000 2.473 207 D HA 0.426 5.067 4.640 0.002 0.000 0.253 207 D C 0.262 176.334 176.300 -0.379 0.000 1.233 207 D CA 0.195 53.731 54.000 -0.773 0.000 0.908 207 D CB 1.549 42.070 40.800 -0.464 0.000 1.170 207 D HN 0.746 nan 8.370 nan 0.000 0.558 208 G N 0.878 109.489 108.800 -0.314 0.000 3.751 208 G HA2 -0.128 3.833 3.960 0.002 0.000 0.216 208 G HA3 -0.128 3.833 3.960 0.002 0.000 0.216 208 G C 0.836 175.900 174.900 0.273 0.000 0.911 208 G CA -0.018 45.212 45.100 0.217 0.000 0.869 208 G HN 0.413 nan 8.290 nan 0.000 0.462 209 T N 0.192 114.891 114.554 0.241 0.000 3.028 209 T HA 0.373 4.724 4.350 0.002 0.000 0.262 209 T C 0.084 174.912 174.700 0.212 0.000 0.916 209 T CA 0.058 62.323 62.100 0.276 0.000 0.873 209 T CB 0.976 70.034 68.868 0.317 0.000 1.232 209 T HN 0.724 nan 8.240 nan 0.000 0.529 210 F N 2.720 122.657 119.950 -0.020 0.000 2.130 210 F HA -0.171 4.357 4.527 0.002 0.000 0.464 210 F C -0.113 175.503 175.800 -0.306 0.000 1.225 210 F CA 0.078 58.022 58.000 -0.094 0.000 1.505 210 F CB -1.180 37.751 39.000 -0.115 0.000 2.379 210 F HN 0.348 nan 8.300 nan 0.000 0.732 211 H N 2.401 121.600 119.070 0.215 0.000 2.934 211 H HA 0.528 5.085 4.556 0.002 0.000 0.340 211 H C -0.891 174.554 175.328 0.194 0.000 1.008 211 H CA -0.854 55.313 56.048 0.199 0.000 1.317 211 H CB 1.946 31.788 29.762 0.134 0.000 1.670 211 H HN 0.235 nan 8.280 nan 0.000 0.516 212 V N 3.628 123.733 119.914 0.318 0.000 2.322 212 V HA 0.048 4.170 4.120 0.002 0.000 0.258 212 V C 0.928 177.188 176.094 0.277 0.000 1.074 212 V CA -0.444 62.029 62.300 0.287 0.000 0.909 212 V CB 0.142 32.147 31.823 0.303 0.000 1.090 212 V HN 0.768 nan 8.190 nan 0.000 0.486 213 S N 4.648 120.503 115.700 0.259 0.000 2.592 213 S HA 0.672 5.143 4.470 0.002 0.000 0.271 213 S C -0.916 173.911 174.600 0.379 0.000 1.326 213 S CA -0.300 58.056 58.200 0.260 0.000 1.024 213 S CB 1.181 64.485 63.200 0.174 0.000 0.921 213 S HN 0.440 nan 8.310 nan 0.000 0.527 214 F N 2.229 122.251 119.950 0.119 0.000 2.581 214 F HA 0.588 5.116 4.527 0.002 0.000 0.311 214 F C -2.551 173.311 175.800 0.105 0.000 1.113 214 F CA -1.953 56.124 58.000 0.128 0.000 0.935 214 F CB 2.120 41.231 39.000 0.185 0.000 1.232 214 F HN 0.498 nan 8.300 nan 0.000 0.445 215 P HA 0.444 nan 4.420 nan 0.000 0.274 215 P C 0.020 177.062 177.300 -0.430 0.000 1.246 215 P CA 1.145 64.012 63.100 -0.388 0.000 0.795 215 P CB 1.472 32.925 31.700 -0.411 0.000 1.006 216 A N 0.722 123.465 122.820 -0.129 0.000 1.257 216 A HA -0.232 4.089 4.320 0.002 0.000 0.262 216 A C 0.576 178.247 177.584 0.146 0.000 1.061 216 A CA 1.732 53.812 52.037 0.071 0.000 1.094 216 A CB -2.701 16.444 19.000 0.242 0.000 1.471 216 A HN 0.413 nan 8.150 nan 0.000 0.723 217 V N 3.434 123.511 119.914 0.271 0.000 2.415 217 V HA 0.411 4.532 4.120 0.002 0.000 0.267 217 V C -1.594 174.633 176.094 0.223 0.000 1.042 217 V CA -0.247 62.235 62.300 0.303 0.000 1.000 217 V CB 0.452 32.539 31.823 0.441 0.000 1.015 217 V HN 0.578 nan 8.190 nan 0.000 0.478 218 P HA 0.484 nan 4.420 nan 0.000 0.279 218 P C 0.528 177.898 177.300 0.116 0.000 1.282 218 P CA 0.679 63.846 63.100 0.111 0.000 0.788 218 P CB 0.474 32.221 31.700 0.078 0.000 1.139 219 G N -0.310 108.545 108.800 0.091 0.000 2.752 219 G HA2 -0.188 3.773 3.960 0.002 0.000 0.234 219 G HA3 -0.188 3.773 3.960 0.002 0.000 0.234 219 G C -1.179 173.790 174.900 0.115 0.000 1.367 219 G CA -0.462 44.690 45.100 0.087 0.000 0.879 219 G HN 0.642 nan 8.290 nan 0.000 0.563 220 K N -0.151 120.316 120.400 0.112 0.000 2.507 220 K HA 0.489 4.810 4.320 0.002 0.000 0.252 220 K C -0.280 176.440 176.600 0.200 0.000 0.943 220 K CA -0.950 55.426 56.287 0.148 0.000 0.808 220 K CB 1.586 34.142 32.500 0.093 0.000 1.142 220 K HN 0.417 nan 8.250 nan 0.000 0.426 221 I N 3.650 124.350 120.570 0.217 0.000 2.304 221 I HA 0.262 4.434 4.170 0.002 0.000 0.291 221 I C -2.364 173.886 176.117 0.222 0.000 1.018 221 I CA -3.536 57.878 61.300 0.189 0.000 1.260 221 I CB 0.277 38.342 38.000 0.110 0.000 1.390 221 I HN 0.252 nan 8.210 nan 0.000 0.475 222 P HA 0.029 nan 4.420 nan 0.000 0.265 222 P C 0.958 178.293 177.300 0.058 0.000 1.222 222 P CA -0.079 63.069 63.100 0.080 0.000 0.767 222 P CB 0.271 32.001 31.700 0.050 0.000 0.801 223 F N 5.638 125.574 119.950 -0.024 0.000 2.068 223 F HA -0.372 4.157 4.527 0.002 0.000 0.289 223 F C 1.992 177.750 175.800 -0.070 0.000 1.089 223 F CA 2.316 60.313 58.000 -0.005 0.000 1.263 223 F CB -1.094 37.921 39.000 0.025 0.000 0.955 223 F HN 0.143 nan 8.300 nan 0.000 0.501 224 V N 1.117 120.832 119.914 -0.332 0.000 2.332 224 V HA -0.311 3.811 4.120 0.002 0.000 0.248 224 V C 2.336 178.178 176.094 -0.419 0.000 1.055 224 V CA 2.413 64.417 62.300 -0.493 0.000 1.038 224 V CB -0.503 31.199 31.823 -0.202 0.000 0.651 224 V HN 0.514 nan 8.190 nan 0.000 0.450 225 I N -0.712 119.693 120.570 -0.276 0.000 2.163 225 I HA -0.309 3.862 4.170 0.002 0.000 0.243 225 I C 2.429 178.392 176.117 -0.257 0.000 1.085 225 I CA 1.902 63.061 61.300 -0.236 0.000 1.347 225 I CB -0.531 37.384 38.000 -0.141 0.000 1.044 225 I HN 0.281 nan 8.210 nan 0.000 0.408 226 L N -0.162 120.898 121.223 -0.272 0.000 2.046 226 L HA -0.137 4.204 4.340 0.002 0.000 0.208 226 L C 2.083 178.736 176.870 -0.361 0.000 1.077 226 L CA 1.157 55.817 54.840 -0.300 0.000 0.747 226 L CB -0.145 41.781 42.059 -0.223 0.000 0.896 226 L HN 0.305 nan 8.230 nan 0.000 0.432 227 M N -0.520 118.765 119.600 -0.525 0.000 3.131 227 M HA -0.027 4.454 4.480 0.002 0.000 0.213 227 M C 1.122 177.211 176.300 -0.351 0.000 1.307 227 M CA 0.704 55.713 55.300 -0.484 0.000 1.263 227 M CB -0.340 31.784 32.600 -0.793 0.000 1.419 227 M HN 0.267 nan 8.290 nan 0.000 0.446 228 R N -1.380 118.949 120.500 -0.284 0.000 3.001 228 R HA 0.211 4.552 4.340 0.002 0.000 0.160 228 R C 1.830 178.021 176.300 -0.181 0.000 0.830 228 R CA 0.873 56.847 56.100 -0.210 0.000 1.363 228 R CB -0.274 29.900 30.300 -0.211 0.000 1.669 228 R HN 0.239 nan 8.270 nan 0.000 0.553 229 A N 1.685 124.387 122.820 -0.197 0.000 1.940 229 A HA -0.116 4.205 4.320 0.002 0.000 0.219 229 A C 1.927 179.402 177.584 -0.182 0.000 1.176 229 A CA 1.327 53.259 52.037 -0.175 0.000 0.631 229 A CB -0.593 18.295 19.000 -0.188 0.000 0.814 229 A HN 0.297 nan 8.150 nan 0.000 0.446 230 L N -1.653 119.440 121.223 -0.216 0.000 1.989 230 L HA -0.008 4.333 4.340 0.002 0.000 0.211 230 L C 1.687 178.473 176.870 -0.140 0.000 1.071 230 L CA 1.525 56.250 54.840 -0.192 0.000 0.749 230 L CB -0.266 41.677 42.059 -0.194 0.000 0.890 230 L HN 0.601 nan 8.230 nan 0.000 0.431 231 G N -0.781 107.939 108.800 -0.132 0.000 3.198 231 G HA2 0.077 4.038 3.960 0.002 0.000 0.228 231 G HA3 0.077 4.038 3.960 0.002 0.000 0.228 231 G C -0.587 174.257 174.900 -0.093 0.000 1.499 231 G CA -0.817 44.220 45.100 -0.105 0.000 1.104 231 G HN -0.021 nan 8.290 nan 0.000 0.563 232 I N 1.836 122.346 120.570 -0.100 0.000 2.448 232 I HA 0.395 4.566 4.170 0.002 0.000 0.281 232 I C 1.171 177.238 176.117 -0.083 0.000 1.027 232 I CA -0.605 60.650 61.300 -0.074 0.000 1.111 232 I CB 1.084 39.048 38.000 -0.059 0.000 1.236 232 I HN 0.063 nan 8.210 nan 0.000 0.452 233 L N 3.688 124.874 121.223 -0.062 0.000 1.995 233 L HA 0.036 4.378 4.340 0.002 0.000 0.206 233 L C 1.040 177.878 176.870 -0.053 0.000 1.098 233 L CA 1.044 55.846 54.840 -0.063 0.000 0.762 233 L CB -0.186 41.843 42.059 -0.050 0.000 0.900 233 L HN 0.523 nan 8.230 nan 0.000 0.441 234 T N -0.095 114.440 114.554 -0.031 0.000 2.937 234 T HA -0.072 4.279 4.350 0.002 0.000 0.316 234 T C 0.615 175.312 174.700 -0.004 0.000 1.079 234 T CA -0.420 61.670 62.100 -0.016 0.000 1.131 234 T CB 0.611 69.476 68.868 -0.006 0.000 1.000 234 T HN 0.190 nan 8.240 nan 0.000 0.549 235 D N 2.047 122.450 120.400 0.004 0.000 2.097 235 D HA -0.113 4.528 4.640 0.002 0.000 0.195 235 D C 2.049 178.404 176.300 0.091 0.000 0.989 235 D CA 1.212 55.230 54.000 0.029 0.000 0.827 235 D CB -0.107 40.713 40.800 0.033 0.000 0.966 235 D HN 0.534 nan 8.370 nan 0.000 0.456 236 R N 0.726 121.282 120.500 0.094 0.000 2.293 236 R HA -0.073 4.268 4.340 0.002 0.000 0.219 236 R C 1.458 177.835 176.300 0.128 0.000 1.091 236 R CA 0.653 56.839 56.100 0.145 0.000 1.004 236 R CB 0.055 30.389 30.300 0.057 0.000 0.865 236 R HN 0.220 nan 8.270 nan 0.000 0.469 237 D N 0.593 121.042 120.400 0.083 0.000 2.214 237 D HA 0.016 4.657 4.640 0.002 0.000 0.217 237 D C 1.983 178.357 176.300 0.124 0.000 0.973 237 D CA 0.817 54.867 54.000 0.083 0.000 0.880 237 D CB 0.019 40.841 40.800 0.037 0.000 1.031 237 D HN 0.075 nan 8.370 nan 0.000 0.468 238 I N 1.058 121.673 120.570 0.074 0.000 2.099 238 I HA -0.264 3.907 4.170 0.002 0.000 0.239 238 I C 2.556 178.729 176.117 0.094 0.000 1.066 238 I CA 0.759 62.087 61.300 0.045 0.000 1.324 238 I CB -0.442 37.532 38.000 -0.044 0.000 1.037 238 I HN -0.126 nan 8.210 nan 0.000 0.401 239 V N 0.432 120.447 119.914 0.168 0.000 2.236 239 V HA -0.367 3.754 4.120 0.002 0.000 0.255 239 V C 2.295 178.505 176.094 0.193 0.000 1.068 239 V CA 2.364 64.881 62.300 0.362 0.000 1.044 239 V CB -0.980 31.035 31.823 0.319 0.000 0.653 239 V HN 0.328 nan 8.190 nan 0.000 0.448 240 Y N 0.014 120.357 120.300 0.072 0.000 2.373 240 Y HA 0.022 4.574 4.550 0.002 0.000 0.293 240 Y C 2.387 178.243 175.900 -0.075 0.000 1.129 240 Y CA 0.974 59.077 58.100 0.005 0.000 1.226 240 Y CB -0.660 37.803 38.460 0.005 0.000 1.000 240 Y HN 0.203 nan 8.280 nan 0.000 0.549 241 A N -0.717 122.144 122.820 0.069 0.000 2.015 241 A HA -0.100 4.221 4.320 0.002 0.000 0.219 241 A C 2.321 179.646 177.584 -0.431 0.000 1.163 241 A CA 1.577 53.539 52.037 -0.126 0.000 0.646 241 A CB -0.994 18.082 19.000 0.128 0.000 0.806 241 A HN 0.239 nan 8.150 nan 0.000 0.448 242 V N 0.170 119.948 119.914 -0.227 0.000 2.229 242 V HA -0.048 4.073 4.120 0.002 0.000 0.243 242 V C 1.079 176.910 176.094 -0.437 0.000 1.042 242 V CA 1.815 63.956 62.300 -0.266 0.000 1.000 242 V CB -0.642 31.219 31.823 0.063 0.000 0.637 242 V HN 0.748 nan 8.190 nan 0.000 0.446 243 S N -1.278 114.307 115.700 -0.192 0.000 2.543 243 S HA 0.649 5.121 4.470 0.002 0.000 0.273 243 S C -1.247 173.325 174.600 -0.046 0.000 1.152 243 S CA -0.663 57.508 58.200 -0.047 0.000 0.910 243 S CB 1.615 64.836 63.200 0.035 0.000 1.105 243 S HN 0.113 nan 8.310 nan 0.000 0.465 244 L N 2.442 123.691 121.223 0.043 0.000 2.264 244 L HA 0.496 4.837 4.340 0.002 0.000 0.289 244 L C -0.201 176.636 176.870 -0.055 0.000 1.044 244 L CA -0.141 54.662 54.840 -0.061 0.000 0.807 244 L CB 0.457 42.441 42.059 -0.126 0.000 1.192 244 L HN 0.876 nan 8.230 nan 0.000 0.425 245 D N 2.536 122.870 120.400 -0.110 0.000 2.697 245 D HA -0.140 4.502 4.640 0.002 0.000 0.238 245 D C -1.865 174.392 176.300 -0.072 0.000 1.152 245 D CA 0.520 54.474 54.000 -0.078 0.000 0.666 245 D CB -0.117 40.695 40.800 0.020 0.000 1.037 245 D HN 0.409 nan 8.370 nan 0.000 0.423 246 P HA 0.148 nan 4.420 nan 0.000 0.258 246 P C 0.673 177.891 177.300 -0.136 0.000 1.174 246 P CA 0.230 63.279 63.100 -0.085 0.000 0.899 246 P CB 0.678 32.344 31.700 -0.056 0.000 1.163 247 E N -1.127 118.945 120.200 -0.213 0.000 4.074 247 E HA -0.204 4.147 4.350 0.002 0.000 0.282 247 E C 1.355 177.801 176.600 -0.256 0.000 0.675 247 E CA 1.352 57.606 56.400 -0.243 0.000 1.151 247 E CB -2.055 27.544 29.700 -0.168 0.000 1.639 247 E HN 0.036 nan 8.360 nan 0.000 0.409 248 V N 1.694 121.496 119.914 -0.188 0.000 2.794 248 V HA -0.334 3.788 4.120 0.002 0.000 0.260 248 V C 2.578 178.513 176.094 -0.265 0.000 1.103 248 V CA 2.514 64.720 62.300 -0.157 0.000 1.125 248 V CB -0.849 30.938 31.823 -0.061 0.000 0.702 248 V HN 0.427 nan 8.190 nan 0.000 0.494 249 Q N 0.443 119.993 119.800 -0.416 0.000 1.941 249 Q HA -0.209 4.132 4.340 0.002 0.000 0.201 249 Q C 1.947 177.031 176.000 -1.527 0.000 0.982 249 Q CA 1.742 57.029 55.803 -0.860 0.000 0.839 249 Q CB -0.694 27.601 28.738 -0.738 0.000 0.904 249 Q HN 0.528 nan 8.270 nan 0.000 0.427 250 N N 1.452 119.503 118.700 -1.082 0.000 2.133 250 N HA -0.231 4.511 4.740 0.002 0.000 0.193 250 N C 1.564 176.791 175.510 -0.471 0.000 1.012 250 N CA 1.872 54.478 53.050 -0.740 0.000 0.871 250 N CB -0.353 37.910 38.487 -0.374 0.000 1.011 250 N HN 0.487 nan 8.380 nan 0.000 0.435 251 E N 0.049 120.016 120.200 -0.389 0.000 2.114 251 E HA -0.132 4.219 4.350 0.002 0.000 0.199 251 E C 0.326 176.819 176.600 -0.178 0.000 1.008 251 E CA 0.878 57.143 56.400 -0.225 0.000 0.810 251 E CB -0.057 29.535 29.700 -0.181 0.000 0.739 251 E HN 0.337 nan 8.360 nan 0.000 0.456 252 L N -0.118 121.014 121.223 -0.151 0.000 2.913 252 L HA 0.208 4.550 4.340 0.002 0.000 0.283 252 L C -0.155 176.831 176.870 0.193 0.000 1.336 252 L CA -0.284 54.526 54.840 -0.048 0.000 0.815 252 L CB 0.652 42.610 42.059 -0.167 0.000 1.188 252 L HN -0.023 nan 8.230 nan 0.000 0.551 253 F N -0.066 119.759 119.950 -0.209 0.000 2.680 253 F HA 0.274 4.802 4.527 0.002 0.000 0.290 253 F C -0.555 175.158 175.800 -0.145 0.000 1.114 253 F CA -0.638 57.232 58.000 -0.216 0.000 1.333 253 F CB -0.901 38.000 39.000 -0.166 0.000 1.091 253 F HN 0.080 nan 8.300 nan 0.000 0.606 254 P HA -0.162 nan 4.420 nan 0.000 0.215 254 P C 1.820 179.127 177.300 0.011 0.000 1.157 254 P CA 2.178 65.296 63.100 0.030 0.000 0.868 254 P CB -0.268 31.449 31.700 0.029 0.000 0.788 255 S N 0.550 116.266 115.700 0.028 0.000 2.413 255 S HA -0.213 4.259 4.470 0.002 0.000 0.237 255 S C 2.115 176.734 174.600 0.032 0.000 1.044 255 S CA 1.557 59.801 58.200 0.073 0.000 1.024 255 S CB -1.880 61.432 63.200 0.186 0.000 0.829 255 S HN 0.111 nan 8.310 nan 0.000 0.475 256 L N 1.142 122.313 121.223 -0.087 0.000 2.017 256 L HA -0.020 4.321 4.340 0.002 0.000 0.208 256 L C 2.416 179.255 176.870 -0.053 0.000 1.073 256 L CA 1.589 56.362 54.840 -0.112 0.000 0.745 256 L CB -0.727 41.178 42.059 -0.257 0.000 0.894 256 L HN 0.338 nan 8.230 nan 0.000 0.432 257 E N 0.377 120.546 120.200 -0.053 0.000 2.405 257 E HA -0.165 4.186 4.350 0.002 0.000 0.194 257 E C 1.672 178.262 176.600 -0.016 0.000 1.149 257 E CA -0.164 56.211 56.400 -0.042 0.000 0.933 257 E CB -0.069 29.612 29.700 -0.033 0.000 1.028 257 E HN 0.410 nan 8.360 nan 0.000 0.487 258 Q N 0.975 120.777 119.800 0.003 0.000 2.082 258 Q HA -0.214 4.128 4.340 0.002 0.000 0.211 258 Q C 0.232 176.247 176.000 0.025 0.000 1.002 258 Q CA 1.676 57.498 55.803 0.033 0.000 0.868 258 Q CB 0.004 28.775 28.738 0.055 0.000 0.931 258 Q HN 0.231 nan 8.270 nan 0.000 0.414 259 A N 0.553 123.371 122.820 -0.004 0.000 2.267 259 A HA 0.392 4.713 4.320 0.002 0.000 0.315 259 A C 0.250 177.773 177.584 -0.102 0.000 1.297 259 A CA -0.091 51.926 52.037 -0.032 0.000 0.865 259 A CB 1.095 20.082 19.000 -0.022 0.000 1.165 259 A HN 0.396 nan 8.150 nan 0.000 0.513 260 S N 0.920 116.567 115.700 -0.087 0.000 2.554 260 S HA 0.029 4.500 4.470 0.002 0.000 0.226 260 S C 0.882 175.401 174.600 -0.135 0.000 0.980 260 S CA 0.503 58.634 58.200 -0.114 0.000 0.939 260 S CB -0.021 63.137 63.200 -0.069 0.000 0.832 260 S HN 0.517 nan 8.310 nan 0.000 0.486 261 S N 1.558 117.176 115.700 -0.135 0.000 2.584 261 S HA 0.154 4.625 4.470 0.002 0.000 0.240 261 S C 0.134 174.553 174.600 -0.301 0.000 0.975 261 S CA 0.401 58.540 58.200 -0.102 0.000 0.949 261 S CB -0.624 62.620 63.200 0.073 0.000 0.761 261 S HN 0.535 nan 8.310 nan 0.000 0.536 262 I N 1.227 121.523 120.570 -0.456 0.000 2.337 262 I HA 0.332 4.503 4.170 0.002 0.000 0.285 262 I C 0.814 176.782 176.117 -0.248 0.000 1.041 262 I CA -0.251 60.729 61.300 -0.534 0.000 1.199 262 I CB 1.102 38.689 38.000 -0.689 0.000 1.370 262 I HN 0.023 nan 8.210 nan 0.000 0.470 263 A N 4.994 127.728 122.820 -0.143 0.000 1.943 263 A HA 0.199 4.520 4.320 0.002 0.000 0.213 263 A C 1.111 178.650 177.584 -0.076 0.000 1.181 263 A CA 0.820 52.806 52.037 -0.086 0.000 0.653 263 A CB -0.051 18.923 19.000 -0.042 0.000 0.833 263 A HN 0.591 nan 8.150 nan 0.000 0.451 264 N N -1.039 117.622 118.700 -0.066 0.000 2.563 264 N HA 0.376 5.118 4.740 0.002 0.000 0.288 264 N C 1.089 176.560 175.510 -0.065 0.000 1.246 264 N CA -0.050 52.970 53.050 -0.051 0.000 0.946 264 N CB 1.440 39.913 38.487 -0.024 0.000 1.213 264 N HN -0.090 nan 8.380 nan 0.000 0.578 265 V N 0.240 120.121 119.914 -0.055 0.000 2.488 265 V HA -0.115 4.006 4.120 0.002 0.000 0.246 265 V C 1.492 177.558 176.094 -0.046 0.000 1.046 265 V CA 1.388 63.651 62.300 -0.062 0.000 1.053 265 V CB -0.317 31.472 31.823 -0.057 0.000 0.679 265 V HN 0.544 nan 8.190 nan 0.000 0.458 266 D N 0.437 120.821 120.400 -0.027 0.000 2.123 266 D HA -0.150 4.492 4.640 0.002 0.000 0.200 266 D C 1.789 178.099 176.300 0.017 0.000 0.976 266 D CA 1.492 55.487 54.000 -0.009 0.000 0.831 266 D CB -0.114 40.683 40.800 -0.005 0.000 0.974 266 D HN 0.412 nan 8.370 nan 0.000 0.469 267 D N 0.419 120.835 120.400 0.027 0.000 2.218 267 D HA -0.075 4.566 4.640 0.002 0.000 0.204 267 D C 1.792 178.165 176.300 0.121 0.000 0.976 267 D CA 0.740 54.797 54.000 0.095 0.000 0.853 267 D CB -0.085 40.753 40.800 0.063 0.000 0.939 267 D HN 0.113 nan 8.370 nan 0.000 0.481 268 A N -0.385 122.437 122.820 0.003 0.000 2.167 268 A HA 0.050 4.371 4.320 0.002 0.000 0.214 268 A C 1.743 179.330 177.584 0.006 0.000 1.151 268 A CA 0.494 52.509 52.037 -0.036 0.000 0.735 268 A CB -0.230 18.704 19.000 -0.110 0.000 0.802 268 A HN 0.232 nan 8.150 nan 0.000 0.467 269 L N -1.115 120.118 121.223 0.017 0.000 2.640 269 L HA 0.155 4.497 4.340 0.002 0.000 0.230 269 L C 1.045 177.936 176.870 0.035 0.000 1.123 269 L CA 0.058 54.900 54.840 0.004 0.000 0.900 269 L CB 0.227 42.273 42.059 -0.022 0.000 1.146 269 L HN 0.127 nan 8.230 nan 0.000 0.484 270 D N -0.353 120.103 120.400 0.093 0.000 2.338 270 D HA 0.030 4.671 4.640 0.002 0.000 0.224 270 D C 1.712 178.044 176.300 0.054 0.000 0.967 270 D CA 0.874 54.914 54.000 0.067 0.000 0.896 270 D CB 0.201 41.044 40.800 0.073 0.000 1.028 270 D HN 0.144 nan 8.370 nan 0.000 0.493 271 F N 0.742 120.677 119.950 -0.025 0.000 2.722 271 F HA 0.108 4.636 4.527 0.002 0.000 0.298 271 F C 2.013 177.805 175.800 -0.014 0.000 1.175 271 F CA 0.570 58.560 58.000 -0.016 0.000 1.462 271 F CB 0.036 39.024 39.000 -0.020 0.000 1.111 271 F HN -0.028 nan 8.300 nan 0.000 0.592 272 I N -2.514 118.129 120.570 0.121 0.000 3.873 272 I HA 0.125 4.296 4.170 0.002 0.000 0.284 272 I C 2.588 178.723 176.117 0.029 0.000 1.186 272 I CA 0.688 62.022 61.300 0.056 0.000 1.362 272 I CB -0.965 37.040 38.000 0.010 0.000 1.432 272 I HN -0.043 nan 8.210 nan 0.000 0.454 273 G N 1.681 110.490 108.800 0.016 0.000 2.469 273 G HA2 -0.304 3.657 3.960 0.002 0.000 0.220 273 G HA3 -0.304 3.657 3.960 0.002 0.000 0.220 273 G C 1.721 176.621 174.900 -0.000 0.000 1.136 273 G CA 1.449 46.551 45.100 0.003 0.000 0.759 273 G HN 0.491 nan 8.290 nan 0.000 0.562 274 S N 0.086 115.779 115.700 -0.012 0.000 2.469 274 S HA -0.001 4.470 4.470 0.002 0.000 0.238 274 S C 1.905 176.502 174.600 -0.004 0.000 0.998 274 S CA 0.562 58.748 58.200 -0.024 0.000 0.957 274 S CB -0.146 63.016 63.200 -0.063 0.000 0.764 274 S HN 0.416 nan 8.310 nan 0.000 0.514 275 R N 0.855 121.365 120.500 0.016 0.000 2.363 275 R HA 0.284 4.625 4.340 0.002 0.000 0.236 275 R C 0.070 176.397 176.300 0.045 0.000 0.966 275 R CA -0.043 56.078 56.100 0.036 0.000 1.100 275 R CB -0.134 30.202 30.300 0.059 0.000 1.125 275 R HN 0.357 nan 8.270 nan 0.000 0.514 276 V N -0.256 119.676 119.914 0.031 0.000 6.922 276 V HA 0.375 4.496 4.120 0.002 0.000 0.263 276 V C 0.427 176.533 176.094 0.020 0.000 1.682 276 V CA -0.702 61.617 62.300 0.032 0.000 0.590 276 V CB 0.118 31.956 31.823 0.026 0.000 1.604 276 V HN 0.105 nan 8.190 nan 0.000 0.353 277 A N 0.975 123.804 122.820 0.014 0.000 2.362 277 A HA 0.514 4.835 4.320 0.002 0.000 0.276 277 A C -0.278 177.307 177.584 0.001 0.000 1.153 277 A CA -0.122 51.920 52.037 0.009 0.000 0.813 277 A CB -0.415 18.590 19.000 0.008 0.000 1.081 277 A HN 0.427 nan 8.150 nan 0.000 0.507 278 I N 2.050 122.619 120.570 -0.001 0.000 2.529 278 I HA 0.381 4.552 4.170 0.002 0.000 0.284 278 I C 1.425 177.538 176.117 -0.008 0.000 1.082 278 I CA 1.689 62.984 61.300 -0.008 0.000 1.406 278 I CB 0.581 38.575 38.000 -0.010 0.000 1.405 278 I HN 1.079 nan 8.210 nan 0.000 0.548 279 G N 5.047 113.840 108.800 -0.012 0.000 2.195 279 G HA2 -0.196 3.765 3.960 0.002 0.000 0.224 279 G HA3 -0.196 3.765 3.960 0.002 0.000 0.224 279 G C 0.345 175.239 174.900 -0.009 0.000 0.990 279 G CA -0.441 44.652 45.100 -0.011 0.000 0.639 279 G HN 0.569 nan 8.290 nan 0.000 0.514 280 Q N 0.913 120.708 119.800 -0.008 0.000 2.368 280 Q HA 0.448 4.789 4.340 0.002 0.000 0.237 280 Q C 0.543 176.537 176.000 -0.009 0.000 0.987 280 Q CA -0.272 55.526 55.803 -0.007 0.000 0.896 280 Q CB 0.674 29.409 28.738 -0.006 0.000 1.241 280 Q HN 0.374 nan 8.270 nan 0.000 0.485 281 K N 1.404 121.799 120.400 -0.008 0.000 2.591 281 K HA -0.160 4.161 4.320 0.002 0.000 0.280 281 K C 1.076 177.670 176.600 -0.009 0.000 0.964 281 K CA -0.048 56.235 56.287 -0.008 0.000 1.014 281 K CB 0.376 32.872 32.500 -0.006 0.000 0.877 281 K HN 0.461 nan 8.250 nan 0.000 0.502 282 R N 2.215 122.710 120.500 -0.009 0.000 2.117 282 R HA -0.182 4.159 4.340 0.002 0.000 0.243 282 R C 1.324 177.619 176.300 -0.008 0.000 1.143 282 R CA 1.761 57.856 56.100 -0.009 0.000 0.968 282 R CB -0.129 30.166 30.300 -0.007 0.000 0.863 282 R HN 0.587 nan 8.270 nan 0.000 0.444 283 E N -0.426 119.770 120.200 -0.007 0.000 2.478 283 E HA 0.008 4.359 4.350 0.002 0.000 0.194 283 E C 0.973 177.568 176.600 -0.009 0.000 1.045 283 E CA 0.223 56.619 56.400 -0.008 0.000 0.868 283 E CB 0.015 29.711 29.700 -0.007 0.000 0.885 283 E HN 0.211 nan 8.360 nan 0.000 0.505 284 N N -0.195 118.500 118.700 -0.009 0.000 2.422 284 N HA 0.023 4.765 4.740 0.002 0.000 0.181 284 N C 0.941 176.445 175.510 -0.010 0.000 1.080 284 N CA 0.291 53.336 53.050 -0.009 0.000 0.893 284 N CB 0.243 38.726 38.487 -0.007 0.000 0.973 284 N HN 0.100 nan 8.380 nan 0.000 0.456 285 R N -0.085 120.409 120.500 -0.010 0.000 2.153 285 R HA 0.157 4.499 4.340 0.002 0.000 0.218 285 R C 1.093 177.386 176.300 -0.012 0.000 1.072 285 R CA 0.599 56.692 56.100 -0.011 0.000 0.990 285 R CB 0.066 30.358 30.300 -0.012 0.000 0.889 285 R HN 0.181 nan 8.270 nan 0.000 0.452 286 I N 1.032 121.594 120.570 -0.014 0.000 2.400 286 I HA -0.089 4.083 4.170 0.002 0.000 0.248 286 I C 1.877 177.979 176.117 -0.025 0.000 1.109 286 I CA 1.278 62.567 61.300 -0.019 0.000 1.425 286 I CB -0.893 37.097 38.000 -0.017 0.000 1.094 286 I HN 0.150 nan 8.210 nan 0.000 0.425 287 E N 1.026 121.212 120.200 -0.022 0.000 2.072 287 E HA -0.181 4.171 4.350 0.002 0.000 0.190 287 E C 1.616 178.195 176.600 -0.034 0.000 0.982 287 E CA 0.817 57.202 56.400 -0.026 0.000 0.803 287 E CB 0.022 29.710 29.700 -0.019 0.000 0.755 287 E HN 0.217 nan 8.360 nan 0.000 0.453 288 K N -0.447 119.935 120.400 -0.030 0.000 2.745 288 K HA 0.151 4.472 4.320 0.002 0.000 0.223 288 K C 0.359 176.940 176.600 -0.032 0.000 1.057 288 K CA 0.159 56.423 56.287 -0.037 0.000 1.217 288 K CB 0.322 32.806 32.500 -0.025 0.000 0.993 288 K HN 0.068 nan 8.250 nan 0.000 0.478 289 A N -0.678 122.120 122.820 -0.036 0.000 2.141 289 A HA 0.092 4.413 4.320 0.002 0.000 0.196 289 A C 1.559 179.106 177.584 -0.061 0.000 1.502 289 A CA -0.135 51.880 52.037 -0.037 0.000 1.075 289 A CB 0.242 19.225 19.000 -0.028 0.000 1.217 289 A HN 0.302 nan 8.150 nan 0.000 0.477 290 Q N -0.392 119.371 119.800 -0.061 0.000 2.269 290 Q HA -0.010 4.331 4.340 0.002 0.000 0.201 290 Q C 1.900 177.858 176.000 -0.070 0.000 0.946 290 Q CA 1.062 56.823 55.803 -0.070 0.000 0.877 290 Q CB 0.139 28.844 28.738 -0.054 0.000 0.963 290 Q HN 0.742 nan 8.270 nan 0.000 0.472 291 Q N 0.161 119.917 119.800 -0.074 0.000 2.165 291 Q HA 0.073 4.414 4.340 0.002 0.000 0.197 291 Q C 1.129 177.048 176.000 -0.135 0.000 0.952 291 Q CA 0.420 56.170 55.803 -0.088 0.000 0.848 291 Q CB 0.353 29.039 28.738 -0.086 0.000 0.931 291 Q HN 0.319 nan 8.270 nan 0.000 0.470 292 I N 1.686 122.156 120.570 -0.166 0.000 3.407 292 I HA -0.113 4.058 4.170 0.002 0.000 0.308 292 I C 0.628 176.774 176.117 0.049 0.000 1.151 292 I CA 0.400 61.610 61.300 -0.151 0.000 1.258 292 I CB -0.309 37.638 38.000 -0.088 0.000 1.021 292 I HN 0.275 nan 8.210 nan 0.000 0.543 293 I N -0.749 119.824 120.570 0.006 0.000 4.547 293 I HA 0.008 4.180 4.170 0.002 0.000 0.303 293 I C 1.617 177.764 176.117 0.050 0.000 1.188 293 I CA 0.475 61.765 61.300 -0.018 0.000 1.320 293 I CB -0.522 37.375 38.000 -0.171 0.000 1.495 293 I HN 0.130 nan 8.210 nan 0.000 0.462 294 D N 2.421 122.824 120.400 0.004 0.000 2.123 294 D HA -0.098 4.543 4.640 0.002 0.000 0.200 294 D C 2.021 178.317 176.300 -0.006 0.000 0.976 294 D CA 1.274 55.268 54.000 -0.010 0.000 0.831 294 D CB 0.351 41.123 40.800 -0.047 0.000 0.974 294 D HN 0.479 nan 8.370 nan 0.000 0.469 295 K N -0.653 119.773 120.400 0.044 0.000 2.202 295 K HA -0.039 4.282 4.320 0.002 0.000 0.201 295 K C 0.073 176.967 176.600 0.491 0.000 1.051 295 K CA 0.459 56.841 56.287 0.158 0.000 0.977 295 K CB 0.085 32.693 32.500 0.181 0.000 0.792 295 K HN 0.009 nan 8.250 nan 0.000 0.469 296 Y N 0.602 121.001 120.300 0.165 0.000 2.587 296 Y HA 0.470 5.021 4.550 0.002 0.000 0.328 296 Y C -1.180 175.068 175.900 0.581 0.000 0.980 296 Y CA -2.119 56.144 58.100 0.272 0.000 1.272 296 Y CB 0.089 38.689 38.460 0.232 0.000 1.094 296 Y HN 0.179 nan 8.280 nan 0.000 0.503 297 F N 3.470 123.694 119.950 0.458 0.000 3.485 297 F HA 0.161 4.689 4.527 0.002 0.000 0.300 297 F C -1.026 174.907 175.800 0.221 0.000 0.821 297 F CA -0.916 57.338 58.000 0.424 0.000 1.630 297 F CB -0.353 38.758 39.000 0.185 0.000 1.771 297 F HN 0.292 nan 8.300 nan 0.000 0.863 298 L N 4.407 125.646 121.223 0.026 0.000 3.671 298 L HA -0.177 4.164 4.340 0.002 0.000 0.609 298 L C -2.071 174.942 176.870 0.239 0.000 1.251 298 L CA -0.069 54.792 54.840 0.036 0.000 0.934 298 L CB -0.815 41.092 42.059 -0.254 0.000 1.496 298 L HN 0.339 nan 8.230 nan 0.000 0.854 299 P HA -0.058 nan 4.420 nan 0.000 0.288 299 P C 0.940 178.349 177.300 0.182 0.000 1.448 299 P CA 0.752 63.953 63.100 0.168 0.000 0.764 299 P CB 0.014 31.783 31.700 0.115 0.000 1.472 300 H N -0.343 118.747 119.070 0.034 0.000 1.744 300 H HA 0.042 4.599 4.556 0.002 0.000 0.315 300 H C 0.834 176.186 175.328 0.039 0.000 2.019 300 H CA -0.550 55.513 56.048 0.024 0.000 1.332 300 H CB -0.274 29.486 29.762 -0.003 0.000 1.669 300 H HN -0.041 nan 8.280 nan 0.000 0.477 301 L N 0.804 122.148 121.223 0.202 0.000 2.584 301 L HA 0.047 4.388 4.340 0.002 0.000 0.272 301 L C 0.574 177.524 176.870 0.134 0.000 1.195 301 L CA 0.412 55.334 54.840 0.136 0.000 0.920 301 L CB -0.094 42.029 42.059 0.107 0.000 1.173 301 L HN 0.859 nan 8.230 nan 0.000 0.489 302 G N 2.277 111.137 108.800 0.101 0.000 2.781 302 G HA2 0.032 3.994 3.960 0.002 0.000 0.468 302 G HA3 0.032 3.994 3.960 0.002 0.000 0.468 302 G C -0.105 174.792 174.900 -0.005 0.000 1.186 302 G CA -0.259 44.884 45.100 0.072 0.000 1.220 302 G HN 0.584 nan 8.290 nan 0.000 0.564 303 T N -0.384 114.128 114.554 -0.069 0.000 3.333 303 T HA 0.278 4.630 4.350 0.002 0.000 0.289 303 T C 1.012 175.655 174.700 -0.095 0.000 0.866 303 T CA 0.605 62.562 62.100 -0.237 0.000 0.872 303 T CB 0.115 68.438 68.868 -0.908 0.000 1.227 303 T HN 1.658 nan 8.240 nan 0.000 0.676 304 S N 1.222 116.927 115.700 0.008 0.000 2.554 304 S HA 0.801 5.272 4.470 0.002 0.000 0.278 304 S C 1.773 176.386 174.600 0.021 0.000 1.242 304 S CA -0.123 58.106 58.200 0.047 0.000 1.051 304 S CB 1.643 64.890 63.200 0.079 0.000 0.986 304 S HN 0.297 nan 8.310 nan 0.000 0.502 305 A N 2.289 125.121 122.820 0.020 0.000 1.893 305 A HA -0.274 4.047 4.320 0.002 0.000 0.222 305 A C 1.978 179.558 177.584 -0.007 0.000 1.309 305 A CA 2.379 54.417 52.037 0.002 0.000 0.681 305 A CB -1.481 17.523 19.000 0.006 0.000 0.842 305 A HN 0.971 nan 8.150 nan 0.000 0.468 306 E N -0.501 119.699 120.200 0.000 0.000 2.208 306 E HA -0.098 4.253 4.350 0.002 0.000 0.193 306 E C 0.071 176.666 176.600 -0.009 0.000 0.988 306 E CA 0.585 56.980 56.400 -0.008 0.000 0.828 306 E CB -0.110 29.590 29.700 -0.001 0.000 0.763 306 E HN 0.481 nan 8.360 nan 0.000 0.478 307 D N 0.554 120.959 120.400 0.007 0.000 2.948 307 D HA 0.009 4.650 4.640 0.002 0.000 0.241 307 D C 0.748 177.057 176.300 0.014 0.000 1.198 307 D CA 0.372 54.383 54.000 0.019 0.000 0.926 307 D CB 0.064 40.890 40.800 0.042 0.000 1.151 307 D HN 0.165 nan 8.370 nan 0.000 0.441 308 R N -0.294 120.196 120.500 -0.017 0.000 2.257 308 R HA 0.134 4.475 4.340 0.002 0.000 0.195 308 R C 1.888 178.154 176.300 -0.056 0.000 0.921 308 R CA -0.029 56.051 56.100 -0.034 0.000 1.069 308 R CB 0.482 30.739 30.300 -0.072 0.000 1.115 308 R HN -0.021 nan 8.270 nan 0.000 0.571 309 K N 1.356 121.703 120.400 -0.088 0.000 2.057 309 K HA -0.100 4.221 4.320 0.002 0.000 0.207 309 K C 1.411 177.869 176.600 -0.237 0.000 1.049 309 K CA 1.309 57.492 56.287 -0.173 0.000 0.931 309 K CB 0.040 32.440 32.500 -0.168 0.000 0.714 309 K HN -0.026 nan 8.250 nan 0.000 0.440 310 K N 0.992 121.330 120.400 -0.103 0.000 2.505 310 K HA -0.041 4.280 4.320 0.002 0.000 0.192 310 K C 1.175 177.878 176.600 0.171 0.000 1.025 310 K CA 0.567 56.848 56.287 -0.010 0.000 1.086 310 K CB 0.267 32.798 32.500 0.053 0.000 0.840 310 K HN 0.176 nan 8.250 nan 0.000 0.514 311 K N -2.240 118.253 120.400 0.155 0.000 2.517 311 K HA 0.278 4.599 4.320 0.002 0.000 0.210 311 K C 1.509 178.291 176.600 0.303 0.000 1.166 311 K CA 0.195 56.664 56.287 0.304 0.000 1.030 311 K CB 0.602 33.244 32.500 0.237 0.000 0.974 311 K HN -0.048 nan 8.250 nan 0.000 0.585 312 A N 1.177 124.078 122.820 0.135 0.000 1.969 312 A HA -0.056 4.265 4.320 0.002 0.000 0.218 312 A C 1.682 179.396 177.584 0.216 0.000 1.169 312 A CA 0.896 52.995 52.037 0.105 0.000 0.635 312 A CB -1.003 17.972 19.000 -0.042 0.000 0.810 312 A HN 0.447 nan 8.150 nan 0.000 0.445 313 Y N -2.151 118.191 120.300 0.071 0.000 2.315 313 Y HA -0.283 4.268 4.550 0.002 0.000 0.288 313 Y C 1.948 177.779 175.900 -0.115 0.000 1.154 313 Y CA 1.104 59.179 58.100 -0.041 0.000 1.229 313 Y CB -0.195 38.196 38.460 -0.115 0.000 0.980 313 Y HN 0.468 nan 8.280 nan 0.000 0.540 314 Y N -1.369 119.183 120.300 0.419 0.000 2.523 314 Y HA -0.082 4.469 4.550 0.002 0.000 0.279 314 Y C 1.736 177.785 175.900 0.249 0.000 1.139 314 Y CA 0.017 58.304 58.100 0.313 0.000 1.296 314 Y CB -0.148 38.424 38.460 0.186 0.000 1.045 314 Y HN 0.048 nan 8.280 nan 0.000 0.538 315 L N -0.304 121.132 121.223 0.355 0.000 2.027 315 L HA -0.168 4.174 4.340 0.002 0.000 0.206 315 L C 2.578 179.639 176.870 0.318 0.000 1.074 315 L CA 1.816 56.872 54.840 0.359 0.000 0.745 315 L CB -1.070 41.253 42.059 0.440 0.000 0.898 315 L HN 0.193 nan 8.230 nan 0.000 0.433 316 A N -1.256 121.723 122.820 0.264 0.000 1.855 316 A HA -0.205 4.116 4.320 0.002 0.000 0.215 316 A C 2.058 179.610 177.584 -0.053 0.000 1.191 316 A CA 1.347 53.429 52.037 0.074 0.000 0.613 316 A CB -1.132 17.846 19.000 -0.036 0.000 0.829 316 A HN 0.438 nan 8.150 nan 0.000 0.442 317 Y N -0.306 120.012 120.300 0.030 0.000 2.688 317 Y HA 0.127 4.678 4.550 0.002 0.000 0.311 317 Y C 2.266 178.243 175.900 0.128 0.000 1.185 317 Y CA 0.295 58.411 58.100 0.027 0.000 1.336 317 Y CB -0.076 38.320 38.460 -0.106 0.000 1.015 317 Y HN 0.397 nan 8.280 nan 0.000 0.522 318 A N -0.652 122.317 122.820 0.247 0.000 1.984 318 A HA 0.054 4.375 4.320 0.002 0.000 0.203 318 A C 1.950 179.618 177.584 0.142 0.000 1.292 318 A CA 0.178 52.337 52.037 0.203 0.000 0.782 318 A CB -0.231 18.894 19.000 0.208 0.000 0.924 318 A HN 0.251 nan 8.150 nan 0.000 0.475 319 I N 1.561 122.191 120.570 0.101 0.000 2.208 319 I HA -0.176 3.995 4.170 0.002 0.000 0.245 319 I C 2.074 178.243 176.117 0.087 0.000 1.097 319 I CA 1.982 63.314 61.300 0.053 0.000 1.363 319 I CB -1.122 36.755 38.000 -0.205 0.000 1.051 319 I HN 0.460 nan 8.210 nan 0.000 0.413 320 S N 1.010 116.750 115.700 0.066 0.000 3.305 320 S HA 0.018 4.489 4.470 0.002 0.000 0.248 320 S C 1.018 175.690 174.600 0.118 0.000 1.288 320 S CA 0.224 58.478 58.200 0.091 0.000 1.249 320 S CB -0.165 63.073 63.200 0.064 0.000 1.116 320 S HN 0.342 nan 8.310 nan 0.000 0.465 321 K N -0.485 119.982 120.400 0.113 0.000 2.706 321 K HA 0.124 4.446 4.320 0.002 0.000 0.179 321 K C 1.226 177.866 176.600 0.068 0.000 1.768 321 K CA 1.029 57.374 56.287 0.097 0.000 1.281 321 K CB 0.058 32.624 32.500 0.112 0.000 1.819 321 K HN 0.358 nan 8.250 nan 0.000 0.602 322 V N 2.319 122.285 119.914 0.088 0.000 2.426 322 V HA -0.066 4.056 4.120 0.002 0.000 0.242 322 V C 2.424 178.592 176.094 0.123 0.000 1.036 322 V CA 1.388 63.730 62.300 0.070 0.000 1.044 322 V CB -0.777 31.092 31.823 0.077 0.000 0.688 322 V HN 0.296 nan 8.190 nan 0.000 0.462 323 I N 0.111 120.816 120.570 0.224 0.000 2.394 323 I HA -0.068 4.104 4.170 0.002 0.000 0.251 323 I C 1.712 177.932 176.117 0.173 0.000 1.136 323 I CA 1.533 63.008 61.300 0.291 0.000 1.425 323 I CB -0.433 37.746 38.000 0.298 0.000 1.079 323 I HN 0.323 nan 8.210 nan 0.000 0.425 324 E N 1.048 121.318 120.200 0.116 0.000 2.614 324 E HA 0.049 4.400 4.350 0.002 0.000 0.321 324 E C 0.312 176.930 176.600 0.030 0.000 1.354 324 E CA 0.012 56.459 56.400 0.079 0.000 1.469 324 E CB -0.022 29.729 29.700 0.086 0.000 1.197 324 E HN 0.551 nan 8.360 nan 0.000 0.497 325 L N 1.654 122.883 121.223 0.010 0.000 3.148 325 L HA -0.078 4.264 4.340 0.002 0.000 0.392 325 L C 0.662 177.441 176.870 -0.152 0.000 1.028 325 L CA 0.288 55.058 54.840 -0.116 0.000 1.794 325 L CB -1.120 40.823 42.059 -0.193 0.000 2.507 325 L HN 0.421 nan 8.230 nan 0.000 0.517 326 Y N 0.857 121.081 120.300 -0.127 0.000 2.096 326 Y HA -0.178 4.373 4.550 0.002 0.000 0.276 326 Y C 1.230 177.128 175.900 -0.003 0.000 1.209 326 Y CA 2.604 60.688 58.100 -0.027 0.000 1.137 326 Y CB 0.248 38.758 38.460 0.083 0.000 0.956 326 Y HN 0.190 nan 8.280 nan 0.000 0.506 327 L N 0.605 121.954 121.223 0.209 0.000 2.709 327 L HA 0.338 4.679 4.340 0.002 0.000 0.236 327 L C 0.306 177.177 176.870 0.001 0.000 1.266 327 L CA -0.153 54.755 54.840 0.114 0.000 0.987 327 L CB 0.158 42.301 42.059 0.139 0.000 1.306 327 L HN 0.300 nan 8.230 nan 0.000 0.467 328 G N 1.791 110.536 108.800 -0.092 0.000 2.296 328 G HA2 -0.272 3.689 3.960 0.002 0.000 0.263 328 G HA3 -0.272 3.689 3.960 0.002 0.000 0.263 328 G C 0.766 175.470 174.900 -0.326 0.000 0.887 328 G CA 0.006 44.983 45.100 -0.204 0.000 1.318 328 G HN 0.553 nan 8.290 nan 0.000 0.403 329 R N 0.493 120.864 120.500 -0.214 0.000 2.225 329 R HA 0.113 4.454 4.340 0.002 0.000 0.194 329 R C 2.373 178.570 176.300 -0.172 0.000 0.957 329 R CA 1.543 57.538 56.100 -0.174 0.000 1.042 329 R CB 0.105 30.425 30.300 0.033 0.000 1.004 329 R HN 0.804 nan 8.270 nan 0.000 0.509 330 R N -0.497 119.915 120.500 -0.146 0.000 2.646 330 R HA 0.259 4.601 4.340 0.002 0.000 0.226 330 R C -0.436 175.806 176.300 -0.097 0.000 0.928 330 R CA -0.319 55.729 56.100 -0.086 0.000 1.010 330 R CB 0.854 31.137 30.300 -0.028 0.000 1.516 330 R HN -0.072 nan 8.270 nan 0.000 0.621 331 E N 1.868 121.994 120.200 -0.123 0.000 7.548 331 E HA -0.082 4.270 4.350 0.002 0.000 0.443 331 E C -2.343 174.218 176.600 -0.066 0.000 0.387 331 E CA -0.126 56.216 56.400 -0.097 0.000 0.714 331 E CB 0.061 29.712 29.700 -0.080 0.000 0.961 331 E HN 0.144 nan 8.360 nan 0.000 0.264 332 P HA -0.161 nan 4.420 nan 0.000 0.265 332 P C -0.572 176.715 177.300 -0.022 0.000 1.151 332 P CA 0.652 63.734 63.100 -0.029 0.000 0.755 332 P CB 0.374 32.071 31.700 -0.005 0.000 0.756 333 D N 1.980 122.369 120.400 -0.019 0.000 2.425 333 D HA -0.021 4.620 4.640 0.002 0.000 0.247 333 D C 0.216 176.506 176.300 -0.016 0.000 1.147 333 D CA 0.566 54.552 54.000 -0.023 0.000 0.879 333 D CB 0.272 41.060 40.800 -0.020 0.000 1.179 333 D HN 0.304 nan 8.370 nan 0.000 0.456 334 D N 1.684 122.074 120.400 -0.016 0.000 2.352 334 D HA 0.007 4.649 4.640 0.002 0.000 0.245 334 D C 0.135 176.424 176.300 -0.018 0.000 1.224 334 D CA -0.350 53.657 54.000 0.012 0.000 0.879 334 D CB 0.337 41.175 40.800 0.064 0.000 1.057 334 D HN 0.228 nan 8.370 nan 0.000 0.491 335 K N 2.016 122.386 120.400 -0.050 0.000 2.708 335 K HA 0.226 4.547 4.320 0.002 0.000 0.219 335 K C -0.438 176.048 176.600 -0.191 0.000 1.068 335 K CA -0.345 55.886 56.287 -0.094 0.000 1.212 335 K CB 0.626 33.087 32.500 -0.064 0.000 0.978 335 K HN 0.159 nan 8.250 nan 0.000 0.475 336 D N 0.289 120.501 120.400 -0.313 0.000 2.594 336 D HA -0.011 4.630 4.640 0.002 0.000 0.256 336 D C -0.821 174.941 176.300 -0.897 0.000 1.393 336 D CA -0.229 53.414 54.000 -0.595 0.000 0.797 336 D CB 0.259 40.704 40.800 -0.591 0.000 1.110 336 D HN 0.331 nan 8.370 nan 0.000 0.495 337 H N 0.186 118.939 119.070 -0.528 0.000 2.668 337 H HA 0.101 4.659 4.556 0.002 0.000 0.303 337 H C -0.031 175.178 175.328 -0.199 0.000 1.074 337 H CA -0.012 55.917 56.048 -0.198 0.000 1.406 337 H CB 0.219 29.998 29.762 0.029 0.000 1.442 337 H HN -0.070 nan 8.280 nan 0.000 0.482 338 Y N 3.922 123.962 120.300 -0.432 0.000 2.715 338 Y HA 0.115 4.666 4.550 0.002 0.000 0.368 338 Y C 1.036 176.821 175.900 -0.191 0.000 1.125 338 Y CA 0.660 58.609 58.100 -0.250 0.000 1.447 338 Y CB -0.119 38.243 38.460 -0.164 0.000 1.438 338 Y HN 0.778 nan 8.280 nan 0.000 0.472 339 A N -0.884 121.914 122.820 -0.038 0.000 2.733 339 A HA 0.108 4.429 4.320 0.002 0.000 0.232 339 A C 0.975 178.606 177.584 0.079 0.000 1.251 339 A CA -0.044 52.040 52.037 0.078 0.000 1.015 339 A CB 0.071 19.169 19.000 0.163 0.000 1.291 339 A HN 0.365 nan 8.150 nan 0.000 0.595 340 N N -0.082 118.650 118.700 0.053 0.000 2.170 340 N HA 0.197 4.938 4.740 0.002 0.000 0.222 340 N C -0.435 175.026 175.510 -0.081 0.000 1.218 340 N CA 0.281 53.331 53.050 0.001 0.000 0.889 340 N CB 0.222 38.731 38.487 0.037 0.000 1.083 340 N HN 0.221 nan 8.380 nan 0.000 0.520 341 K N 0.306 120.627 120.400 -0.133 0.000 2.565 341 K HA 0.427 4.748 4.320 0.002 0.000 0.249 341 K C -1.175 175.382 176.600 -0.071 0.000 0.958 341 K CA -0.589 55.587 56.287 -0.185 0.000 0.806 341 K CB 1.251 33.485 32.500 -0.443 0.000 1.194 341 K HN 0.009 nan 8.250 nan 0.000 0.434 342 R N 2.927 123.411 120.500 -0.027 0.000 2.778 342 R HA 0.477 4.818 4.340 0.002 0.000 0.277 342 R C -0.629 175.688 176.300 0.029 0.000 0.977 342 R CA -1.066 55.045 56.100 0.019 0.000 0.950 342 R CB 1.030 31.334 30.300 0.006 0.000 1.165 342 R HN 0.260 nan 8.270 nan 0.000 0.474 343 L N 0.934 122.181 121.223 0.039 0.000 2.657 343 L HA 0.508 4.849 4.340 0.002 0.000 0.240 343 L C 0.148 177.025 176.870 0.011 0.000 1.151 343 L CA -0.203 54.654 54.840 0.029 0.000 0.831 343 L CB 0.408 42.482 42.059 0.024 0.000 1.539 343 L HN 0.439 nan 8.230 nan 0.000 0.511 344 R N 0.433 120.935 120.500 0.004 0.000 2.585 344 R HA 0.442 4.784 4.340 0.002 0.000 0.288 344 R C -1.806 174.488 176.300 -0.009 0.000 1.194 344 R CA -0.662 55.441 56.100 0.005 0.000 1.006 344 R CB 1.328 31.636 30.300 0.012 0.000 1.229 344 R HN 0.242 nan 8.270 nan 0.000 0.412 345 L N 1.486 122.692 121.223 -0.029 0.000 2.358 345 L HA 0.531 4.872 4.340 0.002 0.000 0.268 345 L C 1.652 178.543 176.870 0.036 0.000 1.032 345 L CA 0.195 54.975 54.840 -0.100 0.000 0.805 345 L CB 1.040 42.970 42.059 -0.215 0.000 1.253 345 L HN 0.775 nan 8.230 nan 0.000 0.452 346 A N 1.709 124.612 122.820 0.138 0.000 1.900 346 A HA -0.289 4.032 4.320 0.002 0.000 0.225 346 A C 2.030 179.761 177.584 0.244 0.000 1.414 346 A CA 2.759 54.990 52.037 0.323 0.000 0.702 346 A CB -1.811 17.489 19.000 0.501 0.000 0.845 346 A HN 0.981 nan 8.150 nan 0.000 0.478 347 G N 0.737 109.655 108.800 0.197 0.000 3.289 347 G HA2 -0.470 3.491 3.960 0.002 0.000 0.242 347 G HA3 -0.470 3.491 3.960 0.002 0.000 0.242 347 G C 0.815 175.824 174.900 0.183 0.000 1.044 347 G CA 1.844 47.042 45.100 0.164 0.000 0.747 347 G HN 0.816 nan 8.290 nan 0.000 1.087 348 D N 0.141 120.631 120.400 0.150 0.000 2.403 348 D HA 0.046 4.687 4.640 0.002 0.000 0.227 348 D C 1.827 178.197 176.300 0.116 0.000 0.995 348 D CA 0.392 54.477 54.000 0.141 0.000 0.928 348 D CB -0.002 40.849 40.800 0.086 0.000 0.887 348 D HN 0.255 nan 8.370 nan 0.000 0.529 349 L N -1.698 119.594 121.223 0.114 0.000 2.609 349 L HA 0.351 4.692 4.340 0.002 0.000 0.230 349 L C 1.169 178.073 176.870 0.056 0.000 1.087 349 L CA 0.296 55.181 54.840 0.074 0.000 0.874 349 L CB -0.178 41.926 42.059 0.076 0.000 1.114 349 L HN -0.009 nan 8.230 nan 0.000 0.488 350 F N -0.780 119.116 119.950 -0.090 0.000 2.582 350 F HA 0.237 4.765 4.527 0.002 0.000 0.290 350 F C 2.177 177.941 175.800 -0.060 0.000 1.115 350 F CA 0.805 58.667 58.000 -0.231 0.000 1.445 350 F CB 0.220 38.859 39.000 -0.602 0.000 1.126 350 F HN 0.049 nan 8.300 nan 0.000 0.574 351 A N -0.842 122.173 122.820 0.325 0.000 1.897 351 A HA -0.113 4.209 4.320 0.002 0.000 0.215 351 A C 2.281 180.072 177.584 0.346 0.000 1.181 351 A CA 1.887 54.268 52.037 0.574 0.000 0.620 351 A CB -1.067 18.222 19.000 0.481 0.000 0.821 351 A HN 0.287 nan 8.150 nan 0.000 0.443 352 S N -0.676 115.133 115.700 0.181 0.000 2.447 352 S HA -0.061 4.410 4.470 0.002 0.000 0.233 352 S C 1.772 176.405 174.600 0.055 0.000 1.006 352 S CA 1.117 59.372 58.200 0.092 0.000 0.957 352 S CB -0.309 62.904 63.200 0.021 0.000 0.773 352 S HN 0.489 nan 8.310 nan 0.000 0.507 353 L N 0.769 122.015 121.223 0.038 0.000 1.988 353 L HA 0.067 4.408 4.340 0.002 0.000 0.207 353 L C 1.862 178.786 176.870 0.089 0.000 1.071 353 L CA 1.729 56.559 54.840 -0.016 0.000 0.744 353 L CB -0.895 41.044 42.059 -0.200 0.000 0.893 353 L HN 0.295 nan 8.230 nan 0.000 0.433 354 F N 0.927 120.924 119.950 0.078 0.000 2.026 354 F HA -0.284 4.244 4.527 0.002 0.000 0.296 354 F C 2.846 178.748 175.800 0.170 0.000 1.133 354 F CA 2.386 60.491 58.000 0.175 0.000 1.188 354 F CB -0.625 38.584 39.000 0.349 0.000 0.968 354 F HN 0.220 nan 8.300 nan 0.000 0.476 355 R N 0.113 120.911 120.500 0.496 0.000 2.224 355 R HA -0.292 4.049 4.340 0.002 0.000 0.251 355 R C 2.171 178.596 176.300 0.209 0.000 1.123 355 R CA 2.861 59.164 56.100 0.338 0.000 0.944 355 R CB -1.389 29.048 30.300 0.227 0.000 0.910 355 R HN 0.413 nan 8.270 nan 0.000 0.440 356 V N 0.412 120.394 119.914 0.114 0.000 2.283 356 V HA -0.084 4.037 4.120 0.002 0.000 0.243 356 V C 2.462 178.598 176.094 0.070 0.000 1.039 356 V CA 1.955 64.302 62.300 0.079 0.000 1.016 356 V CB -0.507 31.324 31.823 0.013 0.000 0.650 356 V HN 0.626 nan 8.190 nan 0.000 0.449 357 A N -0.401 122.431 122.820 0.020 0.000 1.929 357 A HA -0.352 3.969 4.320 0.002 0.000 0.221 357 A C 2.158 179.696 177.584 -0.077 0.000 1.211 357 A CA 2.746 54.760 52.037 -0.040 0.000 0.657 357 A CB -1.121 17.798 19.000 -0.135 0.000 0.827 357 A HN 0.725 nan 8.150 nan 0.000 0.462 358 F N 0.157 119.881 119.950 -0.376 0.000 2.060 358 F HA -0.141 4.388 4.527 0.002 0.000 0.295 358 F C 2.230 178.044 175.800 0.022 0.000 1.120 358 F CA 2.300 60.127 58.000 -0.289 0.000 1.205 358 F CB -0.179 38.595 39.000 -0.378 0.000 0.986 358 F HN 0.143 nan 8.300 nan 0.000 0.470 359 K N 0.646 121.100 120.400 0.090 0.000 2.228 359 K HA -0.213 4.108 4.320 0.002 0.000 0.205 359 K C 1.845 178.431 176.600 -0.025 0.000 1.045 359 K CA 1.378 57.679 56.287 0.023 0.000 0.931 359 K CB -0.560 32.006 32.500 0.110 0.000 0.727 359 K HN 0.418 nan 8.250 nan 0.000 0.458 360 A N -0.507 122.321 122.820 0.014 0.000 1.903 360 A HA -0.019 4.303 4.320 0.002 0.000 0.213 360 A C 2.030 179.614 177.584 -0.001 0.000 1.185 360 A CA 0.965 53.020 52.037 0.030 0.000 0.628 360 A CB -0.685 18.357 19.000 0.071 0.000 0.830 360 A HN 0.496 nan 8.150 nan 0.000 0.446 361 F N 0.441 120.275 119.950 -0.194 0.000 2.293 361 F HA -0.089 4.439 4.527 0.001 0.000 0.300 361 F C 1.700 177.328 175.800 -0.286 0.000 1.086 361 F CA 1.500 59.367 58.000 -0.222 0.000 1.375 361 F CB 0.070 38.950 39.000 -0.200 0.000 1.045 361 F HN 0.013 nan 8.300 nan 0.000 0.516 362 V N 0.838 120.606 119.914 -0.243 0.000 2.488 362 V HA -0.199 3.922 4.120 0.002 0.000 0.246 362 V C 2.428 178.382 176.094 -0.232 0.000 1.046 362 V CA 1.788 63.887 62.300 -0.335 0.000 1.053 362 V CB -0.597 31.006 31.823 -0.367 0.000 0.679 362 V HN 0.285 nan 8.190 nan 0.000 0.458 363 K N -0.175 120.138 120.400 -0.146 0.000 2.365 363 K HA -0.187 4.134 4.320 0.002 0.000 0.199 363 K C 1.670 178.195 176.600 -0.126 0.000 1.045 363 K CA 1.207 57.449 56.287 -0.074 0.000 0.962 363 K CB -0.048 32.453 32.500 0.001 0.000 0.759 363 K HN 0.466 nan 8.250 nan 0.000 0.469 364 D N 0.599 120.839 120.400 -0.266 0.000 2.091 364 D HA -0.138 4.504 4.640 0.002 0.000 0.199 364 D C 1.876 177.903 176.300 -0.455 0.000 0.980 364 D CA 0.641 54.371 54.000 -0.451 0.000 0.831 364 D CB 0.052 40.578 40.800 -0.457 0.000 0.987 364 D HN 0.026 nan 8.370 nan 0.000 0.460 365 L N 0.496 121.451 121.223 -0.448 0.000 1.990 365 L HA -0.191 4.150 4.340 0.002 0.000 0.213 365 L C 2.427 179.184 176.870 -0.189 0.000 1.072 365 L CA 1.909 56.539 54.840 -0.351 0.000 0.755 365 L CB -1.017 40.811 42.059 -0.386 0.000 0.889 365 L HN 0.094 nan 8.230 nan 0.000 0.432 366 T N -1.464 113.012 114.554 -0.131 0.000 2.665 366 T HA -0.327 4.024 4.350 0.002 0.000 0.268 366 T C 1.700 176.421 174.700 0.035 0.000 1.035 366 T CA 2.156 64.235 62.100 -0.036 0.000 1.151 366 T CB -0.698 68.163 68.868 -0.010 0.000 0.862 366 T HN 0.645 nan 8.240 nan 0.000 0.438 367 Y N 1.046 121.304 120.300 -0.071 0.000 2.314 367 Y HA -0.077 4.474 4.550 0.002 0.000 0.293 367 Y C 2.697 178.563 175.900 -0.056 0.000 1.129 367 Y CA 0.767 58.834 58.100 -0.054 0.000 1.201 367 Y CB -0.153 38.280 38.460 -0.046 0.000 0.999 367 Y HN 0.123 nan 8.280 nan 0.000 0.541 368 Q N 1.189 120.957 119.800 -0.054 0.000 2.123 368 Q HA -0.096 4.245 4.340 0.002 0.000 0.199 368 Q C 2.088 178.085 176.000 -0.005 0.000 0.966 368 Q CA 1.710 57.471 55.803 -0.070 0.000 0.845 368 Q CB -0.225 28.367 28.738 -0.243 0.000 0.907 368 Q HN 0.663 nan 8.270 nan 0.000 0.439 369 L N -0.062 121.145 121.223 -0.027 0.000 2.072 369 L HA -0.108 4.234 4.340 0.002 0.000 0.205 369 L C 2.144 179.022 176.870 0.014 0.000 1.079 369 L CA 1.162 55.993 54.840 -0.015 0.000 0.752 369 L CB -0.178 41.861 42.059 -0.033 0.000 0.906 369 L HN 0.283 nan 8.230 nan 0.000 0.436 370 E N -0.100 120.121 120.200 0.035 0.000 2.130 370 E HA -0.274 4.078 4.350 0.002 0.000 0.196 370 E C 1.838 178.457 176.600 0.031 0.000 0.998 370 E CA 1.586 58.006 56.400 0.034 0.000 0.806 370 E CB 0.102 29.828 29.700 0.043 0.000 0.738 370 E HN 0.562 nan 8.360 nan 0.000 0.459 371 K N 0.012 120.440 120.400 0.047 0.000 2.079 371 K HA 0.044 4.365 4.320 0.002 0.000 0.214 371 K C 2.066 178.682 176.600 0.026 0.000 1.024 371 K CA 0.798 57.105 56.287 0.034 0.000 0.948 371 K CB -0.571 31.956 32.500 0.045 0.000 0.830 371 K HN 0.060 nan 8.250 nan 0.000 0.452 372 S N 0.980 116.698 115.700 0.030 0.000 2.600 372 S HA -0.355 4.116 4.470 0.002 0.000 0.462 372 S C 0.506 175.112 174.600 0.010 0.000 1.124 372 S CA 2.179 60.388 58.200 0.016 0.000 2.567 372 S CB -0.873 62.328 63.200 0.003 0.000 1.938 372 S HN 0.392 nan 8.310 nan 0.000 0.503 373 K N -0.165 120.240 120.400 0.007 0.000 2.615 373 K HA 0.638 4.959 4.320 0.002 0.000 0.249 373 K C -0.091 176.513 176.600 0.006 0.000 0.977 373 K CA 0.171 56.462 56.287 0.006 0.000 0.833 373 K CB 2.114 34.617 32.500 0.005 0.000 1.208 373 K HN 0.176 nan 8.250 nan 0.000 0.443 374 V N 2.558 122.476 119.914 0.007 0.000 3.608 374 V HA 0.179 4.301 4.120 0.002 0.000 0.269 374 V C 0.599 176.696 176.094 0.005 0.000 1.245 374 V CA 0.137 62.441 62.300 0.006 0.000 1.138 374 V CB -0.666 31.160 31.823 0.006 0.000 0.841 374 V HN 0.501 nan 8.190 nan 0.000 0.451 375 R N 1.488 121.991 120.500 0.005 0.000 2.441 375 R HA 0.464 4.806 4.340 0.002 0.000 0.284 375 R C 0.970 177.273 176.300 0.005 0.000 1.070 375 R CA 0.170 56.273 56.100 0.005 0.000 1.047 375 R CB 0.536 30.839 30.300 0.005 0.000 1.016 375 R HN 0.369 nan 8.270 nan 0.000 0.477 376 G N 3.013 111.816 108.800 0.005 0.000 2.148 376 G HA2 -0.087 3.874 3.960 0.002 0.000 0.275 376 G HA3 -0.087 3.874 3.960 0.002 0.000 0.275 376 G C -0.039 174.865 174.900 0.006 0.000 0.979 376 G CA 0.297 45.401 45.100 0.006 0.000 1.154 376 G HN 0.746 nan 8.290 nan 0.000 0.377 377 R N 1.484 121.988 120.500 0.007 0.000 1.124 377 R HA -0.135 4.206 4.340 0.002 0.000 0.425 377 R C -0.523 175.781 176.300 0.007 0.000 1.336 377 R CA 0.551 56.656 56.100 0.008 0.000 0.984 377 R CB -0.612 29.692 30.300 0.008 0.000 3.079 377 R HN 0.621 nan 8.270 nan 0.000 0.509 378 K N 4.304 124.709 120.400 0.008 0.000 3.374 378 K HA 0.171 4.492 4.320 0.002 0.000 0.104 378 K C -0.766 175.838 176.600 0.006 0.000 0.924 378 K CA 0.029 56.320 56.287 0.007 0.000 0.950 378 K CB -0.040 32.463 32.500 0.005 0.000 0.659 378 K HN 0.479 nan 8.250 nan 0.000 0.343 379 L N 1.314 122.543 121.223 0.009 0.000 2.990 379 L HA 0.445 4.786 4.340 0.002 0.000 0.231 379 L C 0.218 177.097 176.870 0.015 0.000 1.341 379 L CA -0.532 54.314 54.840 0.010 0.000 1.208 379 L CB 0.368 42.434 42.059 0.011 0.000 1.571 379 L HN 0.228 nan 8.230 nan 0.000 0.453 380 A N 0.656 123.484 122.820 0.014 0.000 2.544 380 A HA 0.290 4.611 4.320 0.002 0.000 0.301 380 A C 1.302 178.897 177.584 0.019 0.000 1.368 380 A CA -0.308 51.741 52.037 0.020 0.000 1.045 380 A CB 0.077 19.087 19.000 0.017 0.000 1.129 380 A HN 0.596 nan 8.150 nan 0.000 0.540 381 L N 2.203 123.443 121.223 0.029 0.000 2.079 381 L HA -0.165 4.176 4.340 0.002 0.000 0.210 381 L C 2.454 179.345 176.870 0.035 0.000 1.081 381 L CA 1.467 56.323 54.840 0.028 0.000 0.752 381 L CB -0.299 41.792 42.059 0.052 0.000 0.896 381 L HN 0.759 nan 8.230 nan 0.000 0.433 382 K N 1.007 121.438 120.400 0.052 0.000 2.675 382 K HA -0.117 4.204 4.320 0.002 0.000 0.194 382 K C 0.889 177.507 176.600 0.030 0.000 1.029 382 K CA 0.941 57.261 56.287 0.055 0.000 0.980 382 K CB 0.057 32.589 32.500 0.054 0.000 0.803 382 K HN 0.348 nan 8.250 nan 0.000 0.493 383 A N 0.010 122.837 122.820 0.013 0.000 2.661 383 A HA 0.268 4.589 4.320 0.002 0.000 0.278 383 A C 0.884 178.454 177.584 -0.023 0.000 1.090 383 A CA -0.434 51.602 52.037 -0.002 0.000 0.969 383 A CB 0.539 19.540 19.000 0.001 0.000 1.240 383 A HN 0.265 nan 8.150 nan 0.000 0.578 384 L N -1.154 120.045 121.223 -0.040 0.000 3.017 384 L HA 0.252 4.593 4.340 0.002 0.000 0.265 384 L C 0.054 176.834 176.870 -0.149 0.000 1.128 384 L CA 0.141 54.927 54.840 -0.089 0.000 0.984 384 L CB 0.732 42.737 42.059 -0.089 0.000 1.464 384 L HN 0.044 nan 8.230 nan 0.000 0.556 385 V N 2.024 121.879 119.914 -0.099 0.000 2.572 385 V HA 0.129 4.250 4.120 0.002 0.000 0.291 385 V C 0.354 176.442 176.094 -0.010 0.000 1.039 385 V CA 0.066 62.312 62.300 -0.090 0.000 1.055 385 V CB 0.944 32.839 31.823 0.120 0.000 0.969 385 V HN 0.236 nan 8.190 nan 0.000 0.482 386 R N 6.053 126.548 120.500 -0.009 0.000 2.346 386 R HA 0.375 4.716 4.340 0.002 0.000 0.311 386 R C -2.463 173.906 176.300 0.116 0.000 0.983 386 R CA -1.860 54.258 56.100 0.029 0.000 0.880 386 R CB 1.208 31.486 30.300 -0.038 0.000 1.100 386 R HN 0.461 nan 8.270 nan 0.000 0.453 387 P HA -0.090 nan 4.420 nan 0.000 0.259 387 P C -0.804 176.535 177.300 0.065 0.000 1.211 387 P CA 0.566 63.709 63.100 0.071 0.000 0.810 387 P CB 0.219 31.942 31.700 0.039 0.000 0.815 388 D N 1.615 122.062 120.400 0.079 0.000 3.099 388 D HA -0.136 4.505 4.640 0.002 0.000 0.213 388 D C 1.083 177.414 176.300 0.051 0.000 1.121 388 D CA 0.265 54.298 54.000 0.054 0.000 0.951 388 D CB -0.771 40.053 40.800 0.039 0.000 1.102 388 D HN 0.274 nan 8.370 nan 0.000 0.423 389 I N 0.197 120.818 120.570 0.086 0.000 2.315 389 I HA -0.207 3.964 4.170 0.002 0.000 0.251 389 I C 2.714 178.864 176.117 0.055 0.000 1.125 389 I CA 1.030 62.376 61.300 0.078 0.000 1.392 389 I CB -1.189 36.887 38.000 0.126 0.000 1.065 389 I HN 0.070 nan 8.210 nan 0.000 0.424 390 V N 0.776 120.706 119.914 0.028 0.000 2.358 390 V HA -0.208 3.913 4.120 0.002 0.000 0.246 390 V C 2.477 178.563 176.094 -0.013 0.000 1.047 390 V CA 2.295 64.562 62.300 -0.055 0.000 1.035 390 V CB -1.282 30.443 31.823 -0.163 0.000 0.658 390 V HN 0.446 nan 8.190 nan 0.000 0.452 391 T N -0.584 113.981 114.554 0.018 0.000 2.894 391 T HA -0.077 4.274 4.350 0.002 0.000 0.258 391 T C 1.734 176.456 174.700 0.036 0.000 1.043 391 T CA 1.004 63.127 62.100 0.038 0.000 1.141 391 T CB -0.199 68.700 68.868 0.051 0.000 0.873 391 T HN 0.486 nan 8.240 nan 0.000 0.449 392 E N 0.737 120.953 120.200 0.026 0.000 2.338 392 E HA 0.020 4.371 4.350 0.002 0.000 0.197 392 E C 1.996 178.611 176.600 0.025 0.000 1.007 392 E CA 0.371 56.782 56.400 0.017 0.000 0.849 392 E CB 0.051 29.745 29.700 -0.009 0.000 0.774 392 E HN 0.229 nan 8.360 nan 0.000 0.506 393 R N 0.268 120.785 120.500 0.028 0.000 2.466 393 R HA 0.219 4.560 4.340 0.002 0.000 0.279 393 R C 1.021 177.349 176.300 0.047 0.000 0.976 393 R CA 0.049 56.176 56.100 0.045 0.000 1.081 393 R CB 0.363 30.694 30.300 0.052 0.000 1.215 393 R HN 0.174 nan 8.270 nan 0.000 0.546 394 I N -0.494 120.089 120.570 0.022 0.000 4.655 394 I HA 0.048 4.219 4.170 0.002 0.000 0.333 394 I C 1.831 177.922 176.117 -0.043 0.000 1.312 394 I CA -0.008 61.275 61.300 -0.029 0.000 1.270 394 I CB 0.316 38.312 38.000 -0.007 0.000 1.318 394 I HN 0.045 nan 8.210 nan 0.000 0.456 395 R N -0.596 119.915 120.500 0.018 0.000 2.146 395 R HA -0.011 4.330 4.340 0.002 0.000 0.206 395 R C 1.170 177.497 176.300 0.046 0.000 1.049 395 R CA 0.680 56.798 56.100 0.030 0.000 1.029 395 R CB -0.405 29.934 30.300 0.065 0.000 0.949 395 R HN 0.272 nan 8.270 nan 0.000 0.471 396 H N 0.124 119.176 119.070 -0.030 0.000 2.708 396 H HA 0.393 4.950 4.556 0.002 0.000 0.309 396 H C -0.031 175.279 175.328 -0.030 0.000 1.084 396 H CA 0.414 56.441 56.048 -0.035 0.000 1.165 396 H CB 0.384 30.115 29.762 -0.052 0.000 1.388 396 H HN 0.453 nan 8.280 nan 0.000 0.553 397 A N 0.062 122.822 122.820 -0.100 0.000 2.631 397 A HA 0.171 4.492 4.320 0.002 0.000 0.258 397 A C 0.533 178.044 177.584 -0.122 0.000 1.027 397 A CA -0.071 51.913 52.037 -0.089 0.000 1.015 397 A CB -0.126 18.890 19.000 0.028 0.000 1.206 397 A HN 0.383 nan 8.150 nan 0.000 0.556 398 L N -2.273 118.873 121.223 -0.129 0.000 3.017 398 L HA 0.636 4.978 4.340 0.002 0.000 0.265 398 L C 1.755 178.587 176.870 -0.064 0.000 1.128 398 L CA 1.653 56.409 54.840 -0.141 0.000 0.984 398 L CB 0.188 42.113 42.059 -0.224 0.000 1.464 398 L HN 0.183 nan 8.230 nan 0.000 0.556 399 A N -1.442 121.343 122.820 -0.059 0.000 1.924 399 A HA 0.083 4.404 4.320 0.002 0.000 0.211 399 A C 2.110 179.658 177.584 -0.060 0.000 1.198 399 A CA 1.517 53.541 52.037 -0.023 0.000 0.657 399 A CB -0.479 18.532 19.000 0.019 0.000 0.852 399 A HN 0.338 nan 8.150 nan 0.000 0.454 400 T N -1.758 112.703 114.554 -0.155 0.000 3.042 400 T HA 0.415 4.767 4.350 0.002 0.000 0.245 400 T C 0.641 175.266 174.700 -0.125 0.000 1.029 400 T CA 1.405 63.390 62.100 -0.191 0.000 1.120 400 T CB 0.095 68.691 68.868 -0.453 0.000 0.917 400 T HN 1.488 nan 8.240 nan 0.000 0.467 401 G N 1.922 110.656 108.800 -0.110 0.000 2.372 401 G HA2 0.010 3.971 3.960 0.002 0.000 0.207 401 G HA3 0.010 3.971 3.960 0.002 0.000 0.207 401 G C -0.110 174.775 174.900 -0.025 0.000 1.473 401 G CA -0.232 44.838 45.100 -0.049 0.000 1.183 401 G HN 0.351 nan 8.290 nan 0.000 0.607 402 N N -0.458 118.235 118.700 -0.012 0.000 0.917 402 N HA -0.246 4.495 4.740 0.002 0.000 0.161 402 N C 1.113 176.723 175.510 0.167 0.000 0.306 402 N CA 3.193 56.258 53.050 0.025 0.000 0.836 402 N CB -0.011 38.475 38.487 -0.001 0.000 1.758 402 N HN 1.400 nan 8.380 nan 0.000 0.652 403 W N -2.762 118.498 121.300 -0.067 0.000 4.233 403 W HA -0.124 4.538 4.660 0.003 0.000 0.314 403 W C 1.045 177.543 176.519 -0.037 0.000 3.461 403 W CA 2.328 59.646 57.345 -0.045 0.000 1.291 403 W CB -1.268 28.168 29.460 -0.040 0.000 1.971 403 W HN 0.504 nan 8.180 nan 0.000 0.419 404 V N 0.396 120.054 119.914 -0.426 0.000 0.665 404 V HA -0.322 3.799 4.120 0.002 0.000 0.092 404 V C 1.103 176.593 176.094 -1.005 0.000 1.156 404 V CA 3.204 65.005 62.300 -0.832 0.000 3.182 404 V CB -2.589 29.049 31.823 -0.308 0.000 0.390 404 V HN 1.636 nan 8.190 nan 0.000 0.374 405 G N -0.250 108.234 108.800 -0.526 0.000 2.504 405 G HA2 0.487 4.449 3.960 0.002 0.000 0.257 405 G HA3 0.487 4.449 3.960 0.002 0.000 0.257 405 G C 1.052 175.746 174.900 -0.343 0.000 1.451 405 G CA -0.107 44.759 45.100 -0.390 0.000 1.059 405 G HN 1.645 nan 8.290 nan 0.000 0.550 406 G N -0.919 107.768 108.800 -0.188 0.000 2.564 406 G HA2 -0.048 3.913 3.960 0.002 0.000 0.216 406 G HA3 -0.048 3.913 3.960 0.002 0.000 0.216 406 G C 1.077 175.941 174.900 -0.059 0.000 1.124 406 G CA 0.297 45.337 45.100 -0.100 0.000 0.764 406 G HN 0.370 nan 8.290 nan 0.000 0.550 407 R N -0.815 119.634 120.500 -0.085 0.000 2.637 407 R HA 0.620 4.961 4.340 0.002 0.000 0.269 407 R C 0.009 176.321 176.300 0.019 0.000 1.089 407 R CA 0.204 56.285 56.100 -0.033 0.000 1.177 407 R CB 0.787 31.062 30.300 -0.042 0.000 1.091 407 R HN 0.059 nan 8.270 nan 0.000 0.540 408 T N -0.828 113.741 114.554 0.025 0.000 2.886 408 T HA 0.444 4.795 4.350 0.002 0.000 0.330 408 T C -0.878 173.836 174.700 0.024 0.000 1.488 408 T CA -0.088 62.037 62.100 0.042 0.000 1.054 408 T CB 0.993 69.890 68.868 0.048 0.000 1.348 408 T HN 0.814 nan 8.240 nan 0.000 0.489 409 G N 1.960 110.773 108.800 0.020 0.000 2.290 409 G HA2 -0.137 3.824 3.960 0.002 0.000 0.270 409 G HA3 -0.137 3.824 3.960 0.002 0.000 0.270 409 G C 0.549 175.457 174.900 0.014 0.000 0.891 409 G CA 0.724 45.832 45.100 0.014 0.000 1.321 409 G HN 0.982 nan 8.290 nan 0.000 0.425 410 V N 0.681 120.601 119.914 0.010 0.000 3.151 410 V HA 0.191 4.312 4.120 0.002 0.000 0.241 410 V C 1.679 177.782 176.094 0.015 0.000 1.173 410 V CA 1.519 63.826 62.300 0.012 0.000 1.154 410 V CB 0.206 32.032 31.823 0.006 0.000 0.898 410 V HN 0.989 nan 8.190 nan 0.000 0.473 411 S N 1.508 117.215 115.700 0.010 0.000 2.713 411 S HA 0.797 5.268 4.470 0.002 0.000 0.283 411 S C -0.635 173.989 174.600 0.041 0.000 1.161 411 S CA -0.577 57.638 58.200 0.025 0.000 0.999 411 S CB 1.681 64.887 63.200 0.011 0.000 1.039 411 S HN 0.578 nan 8.310 nan 0.000 0.548 412 Q N -0.307 119.538 119.800 0.076 0.000 2.647 412 Q HA 0.424 4.765 4.340 0.002 0.000 0.283 412 Q C -1.549 174.517 176.000 0.110 0.000 0.943 412 Q CA -1.095 54.766 55.803 0.097 0.000 0.813 412 Q CB 1.036 29.859 28.738 0.142 0.000 1.477 412 Q HN 0.637 nan 8.270 nan 0.000 0.393 413 L N 1.883 123.134 121.223 0.046 0.000 2.654 413 L HA 0.114 4.455 4.340 0.002 0.000 0.271 413 L C -0.502 176.331 176.870 -0.062 0.000 1.169 413 L CA -0.140 54.696 54.840 -0.007 0.000 0.947 413 L CB 0.086 42.121 42.059 -0.040 0.000 1.232 413 L HN 0.688 nan 8.230 nan 0.000 0.486 414 L N 5.281 126.473 121.223 -0.051 0.000 2.737 414 L HA -0.046 4.295 4.340 0.002 0.000 0.275 414 L C 0.121 176.813 176.870 -0.296 0.000 1.179 414 L CA 0.582 55.350 54.840 -0.121 0.000 0.970 414 L CB -0.236 41.685 42.059 -0.229 0.000 1.268 414 L HN 0.742 nan 8.230 nan 0.000 0.485 415 D N 3.609 123.701 120.400 -0.513 0.000 2.349 415 D HA -0.002 4.640 4.640 0.002 0.000 0.266 415 D C 0.837 176.948 176.300 -0.314 0.000 1.293 415 D CA 0.235 53.982 54.000 -0.421 0.000 0.926 415 D CB 0.560 41.069 40.800 -0.486 0.000 1.090 415 D HN 0.435 nan 8.370 nan 0.000 0.502 416 R N 1.886 122.206 120.500 -0.301 0.000 2.359 416 R HA 0.158 4.499 4.340 0.002 0.000 0.231 416 R C 0.039 176.096 176.300 -0.404 0.000 0.913 416 R CA -0.106 55.816 56.100 -0.297 0.000 1.075 416 R CB 0.109 30.236 30.300 -0.288 0.000 1.087 416 R HN 0.302 nan 8.270 nan 0.000 0.515 417 T N 2.485 116.823 114.554 -0.361 0.000 2.708 417 T HA -0.037 4.314 4.350 0.002 0.000 0.271 417 T C -0.223 174.342 174.700 -0.225 0.000 0.985 417 T CA 0.658 62.553 62.100 -0.340 0.000 1.229 417 T CB -0.799 67.827 68.868 -0.402 0.000 0.934 417 T HN 0.669 nan 8.240 nan 0.000 0.522 418 N N 2.081 120.703 118.700 -0.131 0.000 4.188 418 N HA -0.229 4.512 4.740 0.002 0.000 0.325 418 N C 0.299 175.867 175.510 0.096 0.000 2.031 418 N CA 0.593 53.648 53.050 0.008 0.000 3.095 418 N CB -0.591 37.876 38.487 -0.034 0.000 0.283 418 N HN 0.600 nan 8.380 nan 0.000 0.862 419 W N 3.867 125.130 121.300 -0.061 0.000 2.315 419 W HA -0.160 4.501 4.660 0.002 0.000 0.323 419 W C 2.182 178.664 176.519 -0.062 0.000 1.233 419 W CA 2.132 59.440 57.345 -0.061 0.000 1.267 419 W CB -1.063 28.338 29.460 -0.099 0.000 1.160 419 W HN 0.689 nan 8.180 nan 0.000 0.474 420 L N 1.253 122.477 121.223 0.001 0.000 2.011 420 L HA -0.355 3.986 4.340 0.002 0.000 0.225 420 L C 2.827 179.621 176.870 -0.127 0.000 1.084 420 L CA 3.322 58.103 54.840 -0.098 0.000 0.791 420 L CB -1.849 40.279 42.059 0.116 0.000 0.898 420 L HN 0.171 nan 8.230 nan 0.000 0.440 421 S N -1.021 114.634 115.700 -0.074 0.000 2.381 421 S HA -0.377 4.094 4.470 0.002 0.000 0.230 421 S C 2.146 176.678 174.600 -0.113 0.000 1.052 421 S CA 2.440 60.584 58.200 -0.093 0.000 1.068 421 S CB -0.640 62.481 63.200 -0.132 0.000 0.918 421 S HN 0.608 nan 8.310 nan 0.000 0.448 422 M N 0.427 119.934 119.600 -0.155 0.000 2.086 422 M HA -0.071 4.410 4.480 0.002 0.000 0.261 422 M C 2.184 178.387 176.300 -0.160 0.000 1.067 422 M CA 1.776 56.982 55.300 -0.158 0.000 1.116 422 M CB -0.519 31.970 32.600 -0.184 0.000 1.348 422 M HN 0.475 nan 8.290 nan 0.000 0.407 423 L N -0.358 120.694 121.223 -0.284 0.000 2.081 423 L HA -0.244 4.097 4.340 0.002 0.000 0.212 423 L C 2.728 179.512 176.870 -0.144 0.000 1.080 423 L CA 1.671 56.345 54.840 -0.277 0.000 0.754 423 L CB -0.708 41.091 42.059 -0.434 0.000 0.893 423 L HN 0.428 nan 8.230 nan 0.000 0.433 424 S N -1.293 114.347 115.700 -0.099 0.000 2.371 424 S HA -0.240 4.231 4.470 0.002 0.000 0.224 424 S C 2.067 176.676 174.600 0.015 0.000 1.029 424 S CA 1.018 59.197 58.200 -0.036 0.000 0.978 424 S CB -0.265 62.924 63.200 -0.017 0.000 0.833 424 S HN 0.529 nan 8.310 nan 0.000 0.466 425 H N 1.240 120.251 119.070 -0.098 0.000 2.394 425 H HA -0.027 4.530 4.556 0.002 0.000 0.297 425 H C 1.771 177.055 175.328 -0.073 0.000 1.113 425 H CA 2.079 58.074 56.048 -0.087 0.000 1.277 425 H CB -0.452 29.239 29.762 -0.118 0.000 1.370 425 H HN 0.379 nan 8.280 nan 0.000 0.506 426 L N -0.423 120.754 121.223 -0.076 0.000 2.109 426 L HA -0.068 4.273 4.340 0.002 0.000 0.207 426 L C 2.256 179.140 176.870 0.025 0.000 1.086 426 L CA 1.261 56.033 54.840 -0.113 0.000 0.760 426 L CB -0.169 41.835 42.059 -0.092 0.000 0.910 426 L HN 0.204 nan 8.230 nan 0.000 0.437 427 R N -0.218 120.288 120.500 0.009 0.000 2.313 427 R HA 0.095 4.436 4.340 0.002 0.000 0.199 427 R C 0.406 176.713 176.300 0.012 0.000 0.958 427 R CA -0.050 56.065 56.100 0.026 0.000 1.047 427 R CB -0.173 30.126 30.300 -0.001 0.000 0.955 427 R HN 0.259 nan 8.270 nan 0.000 0.481 428 R N 1.367 121.864 120.500 -0.005 0.000 2.441 428 R HA 0.218 4.559 4.340 0.002 0.000 0.284 428 R C -0.358 175.938 176.300 -0.006 0.000 1.070 428 R CA -0.224 55.867 56.100 -0.015 0.000 1.047 428 R CB 1.634 31.919 30.300 -0.024 0.000 1.016 428 R HN -0.050 nan 8.270 nan 0.000 0.477 429 V N 3.611 123.524 119.914 -0.002 0.000 2.588 429 V HA 0.507 4.628 4.120 0.002 0.000 0.304 429 V C -0.365 175.738 176.094 0.015 0.000 1.042 429 V CA -0.856 61.449 62.300 0.009 0.000 0.877 429 V CB 1.561 33.391 31.823 0.011 0.000 0.996 429 V HN 0.532 nan 8.190 nan 0.000 0.425 430 I N 4.494 125.075 120.570 0.017 0.000 2.797 430 I HA 0.511 4.682 4.170 0.002 0.000 0.310 430 I C 0.958 177.089 176.117 0.023 0.000 0.990 430 I CA 0.048 61.360 61.300 0.019 0.000 1.228 430 I CB 2.017 40.026 38.000 0.015 0.000 1.406 430 I HN 0.992 nan 8.210 nan 0.000 0.534 431 S N 2.053 117.764 115.700 0.018 0.000 2.693 431 S HA 0.283 4.754 4.470 0.002 0.000 0.276 431 S C 0.170 174.773 174.600 0.005 0.000 1.192 431 S CA -0.621 57.587 58.200 0.014 0.000 0.994 431 S CB 1.240 64.444 63.200 0.006 0.000 1.012 431 S HN 0.568 nan 8.310 nan 0.000 0.550 432 S N 1.071 116.770 115.700 -0.003 0.000 2.544 432 S HA 0.296 4.767 4.470 0.002 0.000 0.290 432 S C 0.681 175.279 174.600 -0.004 0.000 1.276 432 S CA -0.217 57.978 58.200 -0.007 0.000 1.075 432 S CB -1.440 61.751 63.200 -0.016 0.000 0.849 432 S HN 0.709 nan 8.310 nan 0.000 0.494 433 L N 2.329 123.551 121.223 -0.002 0.000 6.963 433 L HA -0.385 3.956 4.340 0.002 0.000 0.053 433 L C 1.379 178.253 176.870 0.007 0.000 1.740 433 L CA 1.164 56.006 54.840 0.003 0.000 1.613 433 L CB -1.612 40.449 42.059 0.003 0.000 2.780 433 L HN 0.674 nan 8.230 nan 0.000 1.092 434 A N -1.025 121.800 122.820 0.009 0.000 1.964 434 A HA 0.445 4.766 4.320 0.002 0.000 0.198 434 A C 0.457 178.044 177.584 0.005 0.000 1.599 434 A CA 0.807 52.849 52.037 0.008 0.000 0.968 434 A CB 0.408 19.416 19.000 0.012 0.000 1.029 434 A HN 0.624 nan 8.150 nan 0.000 0.508 435 R N -0.433 120.072 120.500 0.009 0.000 2.496 435 R HA -0.125 4.216 4.340 0.002 0.000 0.326 435 R C 0.290 176.599 176.300 0.014 0.000 1.032 435 R CA 0.273 56.381 56.100 0.012 0.000 0.827 435 R CB -1.797 28.509 30.300 0.010 0.000 2.368 435 R HN 0.755 nan 8.270 nan 0.000 0.490 436 G N 2.471 111.283 108.800 0.020 0.000 2.605 436 G HA2 0.246 4.208 3.960 0.002 0.000 0.301 436 G HA3 0.246 4.208 3.960 0.002 0.000 0.301 436 G C -0.035 174.889 174.900 0.041 0.000 0.881 436 G CA -0.035 45.082 45.100 0.028 0.000 1.553 436 G HN 0.340 nan 8.290 nan 0.000 0.483 437 Q N 0.974 120.808 119.800 0.057 0.000 2.854 437 Q HA 0.333 4.674 4.340 0.002 0.000 0.331 437 Q C -2.546 173.540 176.000 0.144 0.000 0.859 437 Q CA -1.014 54.835 55.803 0.076 0.000 0.787 437 Q CB 2.252 31.023 28.738 0.055 0.000 1.410 437 Q HN 0.312 nan 8.270 nan 0.000 0.510 438 P HA 0.296 nan 4.420 nan 0.000 0.205 438 P C -1.081 176.479 177.300 0.434 0.000 1.858 438 P CA -0.307 62.994 63.100 0.335 0.000 0.998 438 P CB -0.279 31.510 31.700 0.148 0.000 1.875 439 N N 1.398 120.248 118.700 0.250 0.000 2.402 439 N HA 0.135 4.876 4.740 0.002 0.000 0.252 439 N C -0.048 175.451 175.510 -0.018 0.000 1.118 439 N CA 0.024 53.139 53.050 0.108 0.000 0.945 439 N CB 0.557 39.032 38.487 -0.021 0.000 1.147 439 N HN 0.171 nan 8.380 nan 0.000 0.495 440 F N 0.287 120.245 119.950 0.013 0.000 2.334 440 F HA 0.151 4.679 4.527 0.002 0.000 0.269 440 F C 1.705 177.521 175.800 0.025 0.000 0.879 440 F CA -0.204 57.807 58.000 0.020 0.000 1.102 440 F CB 0.108 39.119 39.000 0.018 0.000 1.032 440 F HN 0.335 nan 8.300 nan 0.000 0.782 441 E N 0.886 121.211 120.200 0.208 0.000 2.352 441 E HA 0.273 4.624 4.350 0.002 0.000 0.197 441 E C 0.420 177.071 176.600 0.084 0.000 1.224 441 E CA 0.405 56.883 56.400 0.129 0.000 1.118 441 E CB -0.253 29.508 29.700 0.102 0.000 1.198 441 E HN 0.350 nan 8.360 nan 0.000 0.454 442 A N 0.208 123.065 122.820 0.062 0.000 2.596 442 A HA 0.277 4.598 4.320 0.002 0.000 0.276 442 A C 1.125 178.719 177.584 0.017 0.000 0.962 442 A CA -0.453 51.594 52.037 0.018 0.000 1.010 442 A CB 0.464 19.461 19.000 -0.006 0.000 1.220 442 A HN 0.163 nan 8.150 nan 0.000 0.549 443 R N 0.494 121.013 120.500 0.030 0.000 2.310 443 R HA 0.104 4.445 4.340 0.002 0.000 0.199 443 R C -0.744 175.588 176.300 0.053 0.000 0.891 443 R CA 0.429 56.539 56.100 0.017 0.000 1.060 443 R CB 0.243 30.519 30.300 -0.040 0.000 1.188 443 R HN 0.557 nan 8.270 nan 0.000 0.607 444 D N 1.759 122.205 120.400 0.077 0.000 2.424 444 D HA 0.001 4.642 4.640 0.002 0.000 0.244 444 D C 0.014 176.382 176.300 0.114 0.000 1.134 444 D CA -0.029 54.025 54.000 0.090 0.000 0.881 444 D CB 0.571 41.426 40.800 0.093 0.000 1.191 444 D HN -0.048 nan 8.370 nan 0.000 0.445 445 L N 1.909 123.187 121.223 0.092 0.000 2.737 445 L HA -0.096 4.245 4.340 0.002 0.000 0.275 445 L C 0.802 177.753 176.870 0.136 0.000 1.179 445 L CA 0.487 55.386 54.840 0.097 0.000 0.970 445 L CB -0.505 41.584 42.059 0.050 0.000 1.268 445 L HN 0.510 nan 8.230 nan 0.000 0.485 446 H N 2.580 121.702 119.070 0.086 0.000 2.679 446 H HA 0.112 4.670 4.556 0.002 0.000 0.369 446 H C 1.279 176.662 175.328 0.093 0.000 1.178 446 H CA 0.639 56.743 56.048 0.093 0.000 1.419 446 H CB 1.443 31.277 29.762 0.119 0.000 1.458 446 H HN 0.609 nan 8.280 nan 0.000 0.605 447 G N 2.276 110.764 108.800 -0.520 0.000 2.703 447 G HA2 -0.373 3.588 3.960 0.002 0.000 0.222 447 G HA3 -0.373 3.588 3.960 0.002 0.000 0.222 447 G C 0.849 175.725 174.900 -0.040 0.000 1.183 447 G CA 1.796 46.729 45.100 -0.278 0.000 0.775 447 G HN 0.696 nan 8.290 nan 0.000 0.615 448 T N -0.697 113.908 114.554 0.085 0.000 5.610 448 T HA 0.162 4.513 4.350 0.002 0.000 0.419 448 T C 1.331 176.156 174.700 0.209 0.000 0.955 448 T CA 0.925 63.135 62.100 0.184 0.000 0.885 448 T CB -0.439 68.556 68.868 0.211 0.000 1.306 448 T HN 0.487 nan 8.240 nan 0.000 0.393 449 Q N -1.530 118.356 119.800 0.142 0.000 2.087 449 Q HA -0.230 4.111 4.340 0.002 0.000 0.153 449 Q C -0.123 175.863 176.000 -0.023 0.000 0.706 449 Q CA 1.554 57.340 55.803 -0.028 0.000 1.467 449 Q CB -1.318 27.456 28.738 0.059 0.000 1.557 449 Q HN 0.742 nan 8.270 nan 0.000 0.862 450 W N 1.624 122.860 121.300 -0.107 0.000 2.308 450 W HA 0.320 4.981 4.660 0.002 0.000 0.324 450 W C 1.265 177.702 176.519 -0.136 0.000 1.387 450 W CA 1.179 58.451 57.345 -0.121 0.000 1.250 450 W CB 0.193 29.594 29.460 -0.099 0.000 1.257 450 W HN 0.315 nan 8.180 nan 0.000 0.554 451 G N 4.297 112.565 108.800 -0.887 0.000 2.379 451 G HA2 -0.377 3.584 3.960 0.002 0.000 0.297 451 G HA3 -0.377 3.584 3.960 0.002 0.000 0.297 451 G C 0.741 175.351 174.900 -0.483 0.000 1.004 451 G CA 0.854 45.433 45.100 -0.869 0.000 0.921 451 G HN 0.732 nan 8.290 nan 0.000 0.511 452 R N -2.184 118.107 120.500 -0.349 0.000 3.275 452 R HA 0.417 4.758 4.340 0.002 0.000 0.154 452 R C 0.522 176.638 176.300 -0.307 0.000 0.843 452 R CA 0.064 55.973 56.100 -0.318 0.000 1.027 452 R CB 0.220 30.306 30.300 -0.356 0.000 1.423 452 R HN 0.337 nan 8.270 nan 0.000 0.530 453 M N 0.746 120.158 119.600 -0.313 0.000 2.336 453 M HA 0.260 4.741 4.480 0.002 0.000 0.342 453 M C -0.624 175.555 176.300 -0.202 0.000 1.128 453 M CA -1.166 53.990 55.300 -0.240 0.000 1.016 453 M CB 1.561 34.019 32.600 -0.237 0.000 1.665 453 M HN 0.241 nan 8.290 nan 0.000 0.445 454 C N 6.881 126.079 119.300 -0.170 0.000 2.597 454 C HA 0.196 4.657 4.460 0.002 0.000 0.412 454 C C -0.914 173.959 174.990 -0.194 0.000 1.348 454 C CA -0.759 58.147 59.018 -0.187 0.000 1.769 454 C CB 0.110 27.781 27.740 -0.114 0.000 2.641 454 C HN 0.779 nan 8.230 nan 0.000 0.612 455 P HA 0.051 nan 4.420 nan 0.000 0.235 455 P C 0.930 178.095 177.300 -0.226 0.000 1.177 455 P CA 1.242 64.129 63.100 -0.356 0.000 0.785 455 P CB 0.063 31.393 31.700 -0.616 0.000 0.885 456 F N 0.386 120.329 119.950 -0.012 0.000 2.390 456 F HA 0.226 4.754 4.527 0.002 0.000 0.281 456 F C 1.013 176.818 175.800 0.010 0.000 1.016 456 F CA -0.435 57.564 58.000 -0.002 0.000 1.286 456 F CB -1.677 37.313 39.000 -0.016 0.000 1.134 456 F HN -0.226 nan 8.300 nan 0.000 0.597 457 E N 1.381 121.691 120.200 0.182 0.000 2.672 457 E HA 0.138 4.489 4.350 0.002 0.000 0.234 457 E C -0.749 175.899 176.600 0.080 0.000 1.162 457 E CA 0.681 57.143 56.400 0.105 0.000 0.952 457 E CB -0.538 29.196 29.700 0.057 0.000 0.987 457 E HN 0.058 nan 8.360 nan 0.000 0.507 458 T N 4.603 119.212 114.554 0.092 0.000 3.041 458 T HA 0.302 4.653 4.350 0.002 0.000 0.321 458 T C -2.610 172.129 174.700 0.065 0.000 1.184 458 T CA -1.426 60.715 62.100 0.068 0.000 1.050 458 T CB 1.614 70.523 68.868 0.068 0.000 1.159 458 T HN 0.166 nan 8.240 nan 0.000 0.469 459 P HA 0.147 nan 4.420 nan 0.000 0.266 459 P C -0.520 176.794 177.300 0.024 0.000 1.195 459 P CA -0.092 63.025 63.100 0.028 0.000 0.768 459 P CB 0.614 32.325 31.700 0.020 0.000 0.838 460 E N 1.122 121.324 120.200 0.003 0.000 2.324 460 E HA 0.393 4.744 4.350 0.002 0.000 0.271 460 E C 1.172 177.763 176.600 -0.014 0.000 1.028 460 E CA 0.664 57.059 56.400 -0.007 0.000 0.890 460 E CB 0.092 29.740 29.700 -0.087 0.000 1.004 460 E HN 0.762 nan 8.360 nan 0.000 0.431 461 G N 3.726 112.524 108.800 -0.003 0.000 2.964 461 G HA2 -0.234 3.728 3.960 0.002 0.000 0.229 461 G HA3 -0.234 3.728 3.960 0.002 0.000 0.229 461 G C -1.713 173.172 174.900 -0.025 0.000 1.395 461 G CA -0.229 44.864 45.100 -0.013 0.000 1.060 461 G HN 0.549 nan 8.290 nan 0.000 0.568 462 P HA 0.072 nan 4.420 nan 0.000 0.213 462 P C 1.395 178.668 177.300 -0.045 0.000 1.170 462 P CA 1.536 64.614 63.100 -0.035 0.000 0.889 462 P CB -0.184 31.505 31.700 -0.018 0.000 0.782 463 N N -0.620 118.065 118.700 -0.025 0.000 2.626 463 N HA -0.039 4.702 4.740 0.002 0.000 0.193 463 N C 0.093 175.590 175.510 -0.020 0.000 1.213 463 N CA 0.329 53.367 53.050 -0.021 0.000 0.914 463 N CB -0.824 37.662 38.487 -0.002 0.000 0.994 463 N HN 0.037 nan 8.380 nan 0.000 0.447 464 S N -0.560 115.124 115.700 -0.027 0.000 2.515 464 S HA 0.307 4.779 4.470 0.002 0.000 0.285 464 S C 1.447 176.032 174.600 -0.025 0.000 1.265 464 S CA 0.597 58.789 58.200 -0.014 0.000 1.079 464 S CB -0.054 63.140 63.200 -0.009 0.000 0.877 464 S HN 0.572 nan 8.310 nan 0.000 0.493 465 G N 3.761 112.562 108.800 0.003 0.000 2.253 465 G HA2 -0.230 3.732 3.960 0.002 0.000 0.251 465 G HA3 -0.230 3.732 3.960 0.002 0.000 0.251 465 G C 0.616 175.520 174.900 0.008 0.000 0.998 465 G CA 0.463 45.568 45.100 0.008 0.000 0.621 465 G HN 0.682 nan 8.290 nan 0.000 0.524 466 L N -0.175 121.045 121.223 -0.005 0.000 2.269 466 L HA 0.416 4.757 4.340 0.002 0.000 0.200 466 L C 1.737 178.617 176.870 0.017 0.000 1.069 466 L CA 0.909 55.749 54.840 0.000 0.000 0.804 466 L CB -0.026 42.023 42.059 -0.018 0.000 0.987 466 L HN 0.292 nan 8.230 nan 0.000 0.468 467 V N 1.559 121.482 119.914 0.015 0.000 2.567 467 V HA 0.359 4.481 4.120 0.002 0.000 0.289 467 V C -0.609 175.499 176.094 0.024 0.000 1.049 467 V CA -0.343 61.970 62.300 0.022 0.000 0.969 467 V CB 1.180 33.017 31.823 0.023 0.000 0.995 467 V HN 0.325 nan 8.190 nan 0.000 0.471 468 K N 4.053 124.464 120.400 0.019 0.000 2.555 468 K HA 0.501 4.822 4.320 0.002 0.000 0.279 468 K C -1.152 175.447 176.600 -0.003 0.000 0.986 468 K CA -0.888 55.404 56.287 0.009 0.000 0.880 468 K CB 1.814 34.313 32.500 -0.002 0.000 1.474 468 K HN 0.680 nan 8.250 nan 0.000 0.433 469 N N 0.411 119.105 118.700 -0.010 0.000 2.476 469 N HA 0.322 5.063 4.740 0.002 0.000 0.275 469 N C -0.495 174.983 175.510 -0.053 0.000 1.190 469 N CA -0.762 52.276 53.050 -0.021 0.000 0.977 469 N CB 0.923 39.403 38.487 -0.012 0.000 1.200 469 N HN 0.215 nan 8.380 nan 0.000 0.515 470 L N 1.261 122.452 121.223 -0.054 0.000 2.439 470 L HA 0.324 4.665 4.340 0.002 0.000 0.261 470 L C 0.822 177.642 176.870 -0.084 0.000 1.153 470 L CA -0.458 54.332 54.840 -0.082 0.000 0.808 470 L CB 0.772 42.797 42.059 -0.056 0.000 1.126 470 L HN 0.614 nan 8.230 nan 0.000 0.460 471 A N 2.168 124.914 122.820 -0.124 0.000 2.310 471 A HA 0.246 4.567 4.320 0.002 0.000 0.260 471 A C 1.064 178.626 177.584 -0.036 0.000 1.112 471 A CA -0.248 51.716 52.037 -0.121 0.000 0.804 471 A CB 0.152 19.023 19.000 -0.214 0.000 1.081 471 A HN 0.822 nan 8.150 nan 0.000 0.499 472 L N -0.183 121.055 121.223 0.025 0.000 2.265 472 L HA -0.202 4.139 4.340 0.002 0.000 0.215 472 L C 1.965 178.938 176.870 0.170 0.000 1.117 472 L CA 1.263 56.225 54.840 0.204 0.000 0.782 472 L CB -1.289 40.995 42.059 0.374 0.000 0.914 472 L HN 1.007 nan 8.230 nan 0.000 0.441 473 M N 0.726 120.292 119.600 -0.056 0.000 7.318 473 M HA -0.362 4.119 4.480 0.002 0.000 0.090 473 M C 0.411 176.559 176.300 -0.254 0.000 0.480 473 M CA 2.082 57.261 55.300 -0.201 0.000 1.311 473 M CB -1.175 31.305 32.600 -0.200 0.000 0.421 473 M HN -0.001 nan 8.290 nan 0.000 0.273 474 A N -0.205 122.502 122.820 -0.187 0.000 3.426 474 A HA 0.535 4.856 4.320 0.002 0.000 0.222 474 A C -0.062 177.575 177.584 0.089 0.000 1.090 474 A CA 0.391 52.403 52.037 -0.042 0.000 1.026 474 A CB -0.242 18.553 19.000 -0.342 0.000 1.342 474 A HN 0.978 nan 8.150 nan 0.000 0.695 475 Q N -0.259 119.589 119.800 0.080 0.000 0.421 475 Q HA -0.170 4.171 4.340 0.002 0.000 0.233 475 Q C -0.771 175.255 176.000 0.044 0.000 1.100 475 Q CA 1.003 56.850 55.803 0.073 0.000 0.201 475 Q CB -0.220 28.588 28.738 0.118 0.000 5.634 475 Q HN 0.889 nan 8.270 nan 0.000 0.292 476 I N 1.144 121.731 120.570 0.029 0.000 2.336 476 I HA 0.584 4.755 4.170 0.002 0.000 0.292 476 I C 0.672 176.815 176.117 0.043 0.000 0.991 476 I CA -0.064 61.249 61.300 0.022 0.000 1.227 476 I CB 0.130 38.126 38.000 -0.005 0.000 1.366 476 I HN 0.719 nan 8.210 nan 0.000 0.466 477 A N 5.335 128.189 122.820 0.057 0.000 2.425 477 A HA 0.439 4.760 4.320 0.002 0.000 0.242 477 A C 1.039 178.645 177.584 0.036 0.000 1.077 477 A CA -0.146 51.929 52.037 0.063 0.000 0.781 477 A CB 0.621 19.666 19.000 0.075 0.000 1.020 477 A HN 0.777 nan 8.150 nan 0.000 0.494 478 V N -0.349 119.583 119.914 0.029 0.000 3.645 478 V HA 0.511 4.632 4.120 0.002 0.000 0.275 478 V C 1.322 177.421 176.094 0.009 0.000 1.356 478 V CA 0.458 62.768 62.300 0.016 0.000 1.051 478 V CB -1.726 30.105 31.823 0.012 0.000 0.828 478 V HN 2.303 nan 8.190 nan 0.000 0.441 479 G N 1.471 110.278 108.800 0.011 0.000 2.598 479 G HA2 -0.204 3.757 3.960 0.002 0.000 0.269 479 G HA3 -0.204 3.757 3.960 0.002 0.000 0.269 479 G C -0.669 174.227 174.900 -0.006 0.000 1.289 479 G CA 0.659 45.762 45.100 0.004 0.000 0.926 479 G HN 0.575 nan 8.290 nan 0.000 0.567 480 I N -0.743 119.820 120.570 -0.011 0.000 3.264 480 I HA 0.428 4.599 4.170 0.002 0.000 0.315 480 I C 0.121 176.227 176.117 -0.019 0.000 1.154 480 I CA -1.013 60.277 61.300 -0.017 0.000 0.962 480 I CB 1.892 39.879 38.000 -0.021 0.000 1.265 480 I HN 0.724 nan 8.210 nan 0.000 0.463 481 N N 1.304 119.991 118.700 -0.021 0.000 2.458 481 N HA 0.020 4.761 4.740 0.002 0.000 0.258 481 N C 0.700 176.195 175.510 -0.026 0.000 1.219 481 N CA 0.546 53.583 53.050 -0.021 0.000 0.902 481 N CB 0.757 39.232 38.487 -0.021 0.000 1.076 481 N HN 0.613 nan 8.380 nan 0.000 0.455 482 E N 2.703 122.888 120.200 -0.026 0.000 1.995 482 E HA -0.295 4.056 4.350 0.002 0.000 0.207 482 E C 1.401 177.972 176.600 -0.049 0.000 1.016 482 E CA 1.335 57.714 56.400 -0.036 0.000 0.865 482 E CB -0.057 29.625 29.700 -0.030 0.000 0.797 482 E HN 0.524 nan 8.360 nan 0.000 0.491 483 R N -0.074 120.401 120.500 -0.042 0.000 2.335 483 R HA -0.275 4.066 4.340 0.002 0.000 0.224 483 R C 2.293 178.551 176.300 -0.069 0.000 1.071 483 R CA 2.371 58.442 56.100 -0.048 0.000 0.786 483 R CB -1.852 28.435 30.300 -0.021 0.000 0.969 483 R HN 0.326 nan 8.270 nan 0.000 0.375 484 I N 0.440 120.979 120.570 -0.052 0.000 3.010 484 I HA -0.136 4.035 4.170 0.002 0.000 0.271 484 I C 2.275 178.352 176.117 -0.067 0.000 1.293 484 I CA 0.797 62.066 61.300 -0.052 0.000 1.452 484 I CB -0.252 37.726 38.000 -0.036 0.000 1.082 484 I HN -0.057 nan 8.210 nan 0.000 0.484 485 V N 0.785 120.651 119.914 -0.080 0.000 2.627 485 V HA -0.064 4.057 4.120 0.002 0.000 0.239 485 V C 2.237 178.238 176.094 -0.156 0.000 1.077 485 V CA 1.088 63.334 62.300 -0.089 0.000 1.103 485 V CB -0.455 31.332 31.823 -0.061 0.000 0.802 485 V HN 0.538 nan 8.190 nan 0.000 0.482 486 E N 0.693 120.780 120.200 -0.188 0.000 2.501 486 E HA -0.230 4.121 4.350 0.002 0.000 0.203 486 E C 1.669 177.882 176.600 -0.646 0.000 1.072 486 E CA 1.418 57.615 56.400 -0.338 0.000 0.885 486 E CB -0.177 29.374 29.700 -0.249 0.000 0.813 486 E HN 0.527 nan 8.360 nan 0.000 0.556 487 K N -0.487 119.673 120.400 -0.400 0.000 2.306 487 K HA 0.091 4.412 4.320 0.002 0.000 0.200 487 K C 1.727 178.215 176.600 -0.185 0.000 1.083 487 K CA 0.930 57.006 56.287 -0.351 0.000 0.959 487 K CB 0.446 32.865 32.500 -0.134 0.000 0.994 487 K HN 0.092 nan 8.250 nan 0.000 0.492 488 T N 1.849 116.325 114.554 -0.130 0.000 2.946 488 T HA -0.078 4.273 4.350 0.002 0.000 0.271 488 T C 1.620 176.279 174.700 -0.068 0.000 1.104 488 T CA 0.838 62.896 62.100 -0.069 0.000 1.114 488 T CB -0.088 68.750 68.868 -0.050 0.000 0.867 488 T HN 0.070 nan 8.240 nan 0.000 0.513 489 L N -0.776 120.369 121.223 -0.130 0.000 2.068 489 L HA 0.020 4.361 4.340 0.002 0.000 0.204 489 L C 2.483 179.353 176.870 -0.001 0.000 1.076 489 L CA 1.127 55.910 54.840 -0.095 0.000 0.753 489 L CB -0.570 41.407 42.059 -0.136 0.000 0.910 489 L HN 0.177 nan 8.230 nan 0.000 0.439 490 Y N 1.151 121.407 120.300 -0.073 0.000 2.193 490 Y HA -0.267 4.284 4.550 0.002 0.000 0.285 490 Y C 2.548 178.393 175.900 -0.091 0.000 1.166 490 Y CA 0.979 59.027 58.100 -0.086 0.000 1.181 490 Y CB -0.958 37.471 38.460 -0.053 0.000 0.976 490 Y HN 0.338 nan 8.280 nan 0.000 0.520 491 E N -0.866 119.392 120.200 0.096 0.000 2.204 491 E HA -0.147 4.204 4.350 0.002 0.000 0.194 491 E C 1.704 178.302 176.600 -0.004 0.000 0.989 491 E CA 0.819 57.239 56.400 0.032 0.000 0.824 491 E CB -0.258 29.455 29.700 0.021 0.000 0.756 491 E HN 0.428 nan 8.360 nan 0.000 0.477 492 M N -0.403 119.183 119.600 -0.025 0.000 2.505 492 M HA 0.115 4.596 4.480 0.002 0.000 0.230 492 M C 0.733 176.936 176.300 -0.162 0.000 1.153 492 M CA 0.413 55.684 55.300 -0.047 0.000 0.997 492 M CB 0.820 33.411 32.600 -0.015 0.000 1.606 492 M HN 0.352 nan 8.290 nan 0.000 0.481 493 G N 0.100 108.777 108.800 -0.206 0.000 2.184 493 G HA2 -0.181 3.780 3.960 0.002 0.000 0.206 493 G HA3 -0.181 3.780 3.960 0.002 0.000 0.206 493 G C 0.025 174.574 174.900 -0.584 0.000 0.995 493 G CA -0.488 44.385 45.100 -0.377 0.000 0.651 493 G HN 0.251 nan 8.290 nan 0.000 0.511 494 V N 1.914 121.597 119.914 -0.385 0.000 2.450 494 V HA 0.327 4.448 4.120 0.002 0.000 0.281 494 V C 1.070 177.107 176.094 -0.094 0.000 1.019 494 V CA -0.025 62.147 62.300 -0.213 0.000 1.062 494 V CB 1.376 33.225 31.823 0.042 0.000 0.979 494 V HN 0.254 nan 8.190 nan 0.000 0.477 495 V N 9.214 129.043 119.914 -0.143 0.000 2.461 495 V HA 0.227 4.349 4.120 0.002 0.000 0.275 495 V C -1.990 174.004 176.094 -0.166 0.000 1.047 495 V CA -1.721 60.468 62.300 -0.185 0.000 0.955 495 V CB 1.356 33.068 31.823 -0.184 0.000 0.988 495 V HN 0.753 nan 8.190 nan 0.000 0.471 496 P HA 0.038 nan 4.420 nan 0.000 0.264 496 P C 1.052 178.315 177.300 -0.062 0.000 1.193 496 P CA 0.281 63.243 63.100 -0.231 0.000 0.763 496 P CB 0.776 32.276 31.700 -0.333 0.000 0.810 497 V N 3.797 123.734 119.914 0.038 0.000 2.220 497 V HA -0.311 3.811 4.120 0.002 0.000 0.250 497 V C 2.181 178.316 176.094 0.068 0.000 1.056 497 V CA 2.130 64.481 62.300 0.086 0.000 1.016 497 V CB -0.902 30.954 31.823 0.055 0.000 0.639 497 V HN 0.667 nan 8.190 nan 0.000 0.446 498 E N -0.459 119.822 120.200 0.135 0.000 2.114 498 E HA -0.300 4.051 4.350 0.002 0.000 0.199 498 E C 2.095 178.724 176.600 0.048 0.000 1.008 498 E CA 1.838 58.330 56.400 0.153 0.000 0.810 498 E CB -0.205 29.602 29.700 0.177 0.000 0.739 498 E HN 0.681 nan 8.360 nan 0.000 0.456 499 E N -0.184 120.009 120.200 -0.010 0.000 2.339 499 E HA -0.152 4.199 4.350 0.002 0.000 0.201 499 E C -0.142 176.419 176.600 -0.066 0.000 1.015 499 E CA 0.359 56.727 56.400 -0.052 0.000 0.841 499 E CB 0.052 29.695 29.700 -0.095 0.000 0.754 499 E HN 0.065 nan 8.360 nan 0.000 0.508 500 V N 2.280 122.154 119.914 -0.066 0.000 2.368 500 V HA 0.162 4.283 4.120 0.002 0.000 0.266 500 V C -0.042 176.037 176.094 -0.026 0.000 1.045 500 V CA -0.034 62.217 62.300 -0.082 0.000 0.899 500 V CB 0.242 31.966 31.823 -0.166 0.000 1.006 500 V HN 0.015 nan 8.190 nan 0.000 0.470 516 K N 0.062 120.228 120.400 -0.390 0.000 2.444 516 K HA 0.080 4.402 4.320 0.002 0.000 0.193 516 K C -0.536 176.014 176.600 -0.083 0.000 1.024 516 K CA -0.136 56.015 56.287 -0.226 0.000 1.077 516 K CB 0.217 32.552 32.500 -0.274 0.000 0.833 516 K HN 0.106 nan 8.250 nan 0.000 0.517 517 W N 2.243 123.594 121.300 0.085 0.000 2.158 517 W HA 0.036 4.697 4.660 0.002 0.000 0.339 517 W C 0.562 177.172 176.519 0.151 0.000 1.294 517 W CA -0.483 56.939 57.345 0.129 0.000 1.231 517 W CB 0.331 29.917 29.460 0.211 0.000 1.143 517 W HN -0.076 nan 8.180 nan 0.000 0.571 518 S N 2.250 118.138 115.700 0.312 0.000 2.422 518 S HA 0.369 4.840 4.470 0.002 0.000 0.298 518 S C -0.208 174.444 174.600 0.086 0.000 1.118 518 S CA -0.999 57.293 58.200 0.152 0.000 1.083 518 S CB 1.105 64.345 63.200 0.066 0.000 0.971 518 S HN 0.238 nan 8.310 nan 0.000 0.478 519 K N 1.791 122.151 120.400 -0.066 0.000 2.355 519 K HA 0.372 4.693 4.320 0.002 0.000 0.270 519 K C -0.633 175.834 176.600 -0.223 0.000 1.003 519 K CA -0.571 55.510 56.287 -0.343 0.000 0.957 519 K CB 0.528 32.745 32.500 -0.471 0.000 0.939 519 K HN 0.383 nan 8.250 nan 0.000 0.482 520 V N 3.804 123.586 119.914 -0.219 0.000 2.483 520 V HA 0.313 4.434 4.120 0.002 0.000 0.295 520 V C -0.577 175.428 176.094 -0.148 0.000 1.035 520 V CA -0.762 61.459 62.300 -0.131 0.000 0.896 520 V CB 1.200 33.019 31.823 -0.007 0.000 0.986 520 V HN 0.517 nan 8.190 nan 0.000 0.447 521 I N 6.059 126.546 120.570 -0.137 0.000 2.439 521 I HA 0.361 4.532 4.170 0.002 0.000 0.283 521 I C -0.676 175.456 176.117 0.025 0.000 1.023 521 I CA -0.119 61.167 61.300 -0.024 0.000 1.100 521 I CB 1.690 39.739 38.000 0.083 0.000 1.238 521 I HN 0.296 nan 8.210 nan 0.000 0.445 522 L N 7.236 128.470 121.223 0.018 0.000 2.262 522 L HA 0.494 4.835 4.340 0.002 0.000 0.288 522 L C -0.099 176.777 176.870 0.010 0.000 1.035 522 L CA -0.138 54.706 54.840 0.007 0.000 0.820 522 L CB 0.108 42.156 42.059 -0.019 0.000 1.204 522 L HN 0.767 nan 8.230 nan 0.000 0.424 523 N N 4.057 122.769 118.700 0.021 0.000 2.725 523 N HA -0.183 4.558 4.740 0.002 0.000 0.251 523 N C 0.862 176.382 175.510 0.016 0.000 1.031 523 N CA 1.271 54.328 53.050 0.011 0.000 0.720 523 N CB -1.077 37.405 38.487 -0.008 0.000 0.930 523 N HN 1.099 nan 8.380 nan 0.000 0.543 524 G N -0.067 108.760 108.800 0.045 0.000 2.273 524 G HA2 -0.353 3.608 3.960 0.002 0.000 0.280 524 G HA3 -0.353 3.608 3.960 0.002 0.000 0.280 524 G C -0.075 174.829 174.900 0.006 0.000 1.047 524 G CA 0.654 45.787 45.100 0.055 0.000 0.869 524 G HN 0.757 nan 8.290 nan 0.000 0.502 525 R N -0.282 120.211 120.500 -0.012 0.000 2.510 525 R HA 0.499 4.840 4.340 0.002 0.000 0.294 525 R C -0.856 175.495 176.300 0.085 0.000 1.056 525 R CA -1.124 54.892 56.100 -0.141 0.000 0.918 525 R CB 0.854 31.029 30.300 -0.208 0.000 1.187 525 R HN 0.237 nan 8.270 nan 0.000 0.437 526 L N 6.668 128.119 121.223 0.380 0.000 2.342 526 L HA 0.155 4.496 4.340 0.002 0.000 0.285 526 L C 0.937 177.837 176.870 0.051 0.000 1.095 526 L CA -0.452 54.443 54.840 0.092 0.000 0.843 526 L CB 0.695 42.614 42.059 -0.233 0.000 1.201 526 L HN 0.778 nan 8.230 nan 0.000 0.445 527 I N 3.558 124.145 120.570 0.028 0.000 2.235 527 I HA 0.162 4.334 4.170 0.002 0.000 0.241 527 I C 1.230 177.388 176.117 0.070 0.000 1.085 527 I CA 1.226 62.592 61.300 0.111 0.000 1.378 527 I CB -0.952 37.132 38.000 0.141 0.000 1.076 527 I HN 0.706 nan 8.210 nan 0.000 0.415 528 G N -1.906 106.892 108.800 -0.004 0.000 2.435 528 G HA2 0.385 4.346 3.960 0.002 0.000 0.296 528 G HA3 0.385 4.346 3.960 0.002 0.000 0.296 528 G C -1.870 173.036 174.900 0.010 0.000 1.240 528 G CA -0.454 44.691 45.100 0.075 0.000 0.872 528 G HN -0.058 nan 8.290 nan 0.000 0.480 529 Y N -1.096 119.189 120.300 -0.026 0.000 2.693 529 Y HA 0.807 5.359 4.550 0.002 0.000 0.331 529 Y C -0.439 175.539 175.900 0.129 0.000 1.092 529 Y CA -0.844 57.279 58.100 0.038 0.000 1.131 529 Y CB 2.269 40.721 38.460 -0.013 0.000 1.318 529 Y HN 0.959 nan 8.280 nan 0.000 0.510 530 Y N 0.150 120.537 120.300 0.144 0.000 2.098 530 Y HA 0.124 4.675 4.550 0.002 0.000 0.315 530 Y C -1.323 174.739 175.900 0.271 0.000 1.348 530 Y CA -1.322 56.836 58.100 0.096 0.000 1.554 530 Y CB -0.009 38.459 38.460 0.014 0.000 1.270 530 Y HN 0.685 nan 8.280 nan 0.000 0.394 531 Q N 4.693 124.695 119.800 0.338 0.000 2.479 531 Q HA 0.073 4.414 4.340 0.002 0.000 0.267 531 Q C -0.107 175.782 176.000 -0.185 0.000 1.071 531 Q CA 1.033 56.918 55.803 0.137 0.000 0.935 531 Q CB 0.702 29.566 28.738 0.210 0.000 1.295 531 Q HN 0.947 nan 8.270 nan 0.000 0.476 532 D N 0.813 121.141 120.400 -0.121 0.000 2.828 532 D HA -0.140 4.502 4.640 0.002 0.000 0.241 532 D C 0.738 176.895 176.300 -0.239 0.000 1.142 532 D CA 0.980 54.892 54.000 -0.147 0.000 0.755 532 D CB -0.970 39.764 40.800 -0.109 0.000 1.014 532 D HN 0.814 nan 8.370 nan 0.000 0.420 533 G N 0.997 109.700 108.800 -0.162 0.000 2.414 533 G HA2 -0.103 3.859 3.960 0.002 0.000 0.215 533 G HA3 -0.103 3.859 3.960 0.002 0.000 0.215 533 G C 1.611 176.460 174.900 -0.085 0.000 1.188 533 G CA 1.001 46.053 45.100 -0.081 0.000 0.783 533 G HN 0.554 nan 8.290 nan 0.000 0.537 534 G N -0.043 108.687 108.800 -0.117 0.000 2.621 534 G HA2 -0.084 3.877 3.960 0.002 0.000 0.215 534 G HA3 -0.084 3.877 3.960 0.002 0.000 0.215 534 G C 1.384 176.115 174.900 -0.281 0.000 1.127 534 G CA 1.145 46.080 45.100 -0.275 0.000 0.747 534 G HN 0.555 nan 8.290 nan 0.000 0.561 535 E N -1.171 118.921 120.200 -0.179 0.000 2.421 535 E HA 0.167 4.518 4.350 0.002 0.000 0.209 535 E C 2.146 178.727 176.600 -0.031 0.000 0.871 535 E CA -0.578 55.763 56.400 -0.098 0.000 1.064 535 E CB -0.065 29.604 29.700 -0.051 0.000 1.075 535 E HN 0.227 nan 8.360 nan 0.000 0.513 536 L N 1.929 123.160 121.223 0.014 0.000 2.034 536 L HA -0.294 4.048 4.340 0.002 0.000 0.217 536 L C 2.257 179.208 176.870 0.135 0.000 1.077 536 L CA 2.415 57.361 54.840 0.177 0.000 0.769 536 L CB -1.031 41.227 42.059 0.332 0.000 0.890 536 L HN 0.099 nan 8.230 nan 0.000 0.435 537 A N 0.610 123.435 122.820 0.009 0.000 1.894 537 A HA -0.338 3.983 4.320 0.002 0.000 0.220 537 A C 1.948 179.569 177.584 0.062 0.000 1.237 537 A CA 2.452 54.514 52.037 0.042 0.000 0.660 537 A CB -1.041 17.726 19.000 -0.389 0.000 0.835 537 A HN 0.699 nan 8.150 nan 0.000 0.461 538 N N -0.362 118.341 118.700 0.005 0.000 2.289 538 N HA -0.105 4.636 4.740 0.002 0.000 0.184 538 N C 1.621 177.159 175.510 0.047 0.000 1.016 538 N CA 1.355 54.420 53.050 0.026 0.000 0.872 538 N CB -0.261 38.230 38.487 0.007 0.000 0.973 538 N HN 0.632 nan 8.380 nan 0.000 0.433 539 K N 0.975 121.414 120.400 0.064 0.000 1.965 539 K HA -0.028 4.293 4.320 0.002 0.000 0.214 539 K C 2.069 178.711 176.600 0.069 0.000 1.046 539 K CA 0.888 57.217 56.287 0.070 0.000 0.944 539 K CB -0.165 32.391 32.500 0.093 0.000 0.726 539 K HN 0.038 nan 8.250 nan 0.000 0.441 540 I N 1.674 122.298 120.570 0.089 0.000 2.145 540 I HA -0.336 3.835 4.170 0.002 0.000 0.244 540 I C 2.288 178.450 176.117 0.074 0.000 1.075 540 I CA 1.779 63.128 61.300 0.083 0.000 1.332 540 I CB -1.306 36.761 38.000 0.111 0.000 1.033 540 I HN 0.257 nan 8.210 nan 0.000 0.410 541 R N 0.768 121.319 120.500 0.085 0.000 2.066 541 R HA -0.124 4.217 4.340 0.002 0.000 0.232 541 R C 2.198 178.531 176.300 0.055 0.000 1.131 541 R CA 1.214 57.361 56.100 0.079 0.000 0.955 541 R CB -0.325 30.031 30.300 0.093 0.000 0.851 541 R HN 0.499 nan 8.270 nan 0.000 0.432 542 E N 0.258 120.484 120.200 0.044 0.000 2.204 542 E HA -0.136 4.215 4.350 0.002 0.000 0.195 542 E C 2.121 178.736 176.600 0.025 0.000 0.990 542 E CA 0.847 57.265 56.400 0.030 0.000 0.821 542 E CB 0.105 29.820 29.700 0.026 0.000 0.750 542 E HN 0.279 nan 8.360 nan 0.000 0.477 543 R N 0.417 120.935 120.500 0.030 0.000 2.052 543 R HA 0.019 4.360 4.340 0.002 0.000 0.226 543 R C 2.461 178.770 176.300 0.016 0.000 1.145 543 R CA 0.597 56.710 56.100 0.022 0.000 0.952 543 R CB -0.374 29.941 30.300 0.025 0.000 0.847 543 R HN 0.004 nan 8.270 nan 0.000 0.431 544 R N 1.859 122.373 120.500 0.023 0.000 2.170 544 R HA -0.153 4.189 4.340 0.002 0.000 0.242 544 R C 1.838 178.144 176.300 0.010 0.000 1.145 544 R CA 1.581 57.692 56.100 0.018 0.000 0.984 544 R CB -0.150 30.170 30.300 0.034 0.000 0.869 544 R HN 0.183 nan 8.270 nan 0.000 0.455 545 R N 0.093 120.604 120.500 0.017 0.000 2.057 545 R HA 0.040 4.381 4.340 0.002 0.000 0.229 545 R C 1.966 178.263 176.300 -0.005 0.000 1.136 545 R CA 1.030 57.135 56.100 0.009 0.000 0.952 545 R CB -0.116 30.194 30.300 0.016 0.000 0.848 545 R HN -0.023 nan 8.270 nan 0.000 0.430 546 K N 0.597 120.996 120.400 -0.001 0.000 2.643 546 K HA -0.000 4.321 4.320 0.002 0.000 0.193 546 K C 0.183 176.776 176.600 -0.012 0.000 1.027 546 K CA 0.699 56.982 56.287 -0.006 0.000 1.033 546 K CB -0.198 32.301 32.500 -0.001 0.000 0.827 546 K HN 0.479 nan 8.250 nan 0.000 0.500 547 G N 2.382 111.172 108.800 -0.017 0.000 2.372 547 G HA2 -0.287 3.674 3.960 0.002 0.000 0.290 547 G HA3 -0.287 3.674 3.960 0.002 0.000 0.290 547 G C 0.378 175.268 174.900 -0.017 0.000 0.965 547 G CA 1.039 46.126 45.100 -0.023 0.000 1.263 547 G HN 0.558 nan 8.290 nan 0.000 0.498 548 E N -1.114 119.080 120.200 -0.011 0.000 2.489 548 E HA 0.219 4.570 4.350 0.002 0.000 0.208 548 E C 0.739 177.335 176.600 -0.007 0.000 0.814 548 E CA -0.521 55.874 56.400 -0.008 0.000 1.348 548 E CB 0.314 30.013 29.700 -0.002 0.000 1.334 548 E HN 0.335 nan 8.360 nan 0.000 0.672 549 I N 1.253 121.821 120.570 -0.003 0.000 2.577 549 I HA 0.239 4.411 4.170 0.002 0.000 0.305 549 I C 0.509 176.621 176.117 -0.008 0.000 0.986 549 I CA -0.426 60.873 61.300 -0.002 0.000 1.189 549 I CB 1.579 39.586 38.000 0.010 0.000 1.355 549 I HN -0.011 nan 8.210 nan 0.000 0.476 550 S N 2.323 118.016 115.700 -0.012 0.000 2.593 550 S HA 0.086 4.557 4.470 0.002 0.000 0.269 550 S C 0.213 174.803 174.600 -0.018 0.000 1.334 550 S CA -0.377 57.812 58.200 -0.019 0.000 1.015 550 S CB 0.295 63.482 63.200 -0.021 0.000 0.912 550 S HN 0.477 nan 8.310 nan 0.000 0.541 551 D N 2.326 122.703 120.400 -0.038 0.000 2.538 551 D HA 0.189 4.830 4.640 0.002 0.000 0.234 551 D C 0.092 176.370 176.300 -0.038 0.000 1.191 551 D CA 0.069 54.037 54.000 -0.053 0.000 0.828 551 D CB 0.120 40.850 40.800 -0.117 0.000 0.981 551 D HN 0.537 nan 8.370 nan 0.000 0.490 552 E N 0.029 120.224 120.200 -0.009 0.000 2.862 552 E HA 0.127 4.478 4.350 0.002 0.000 0.204 552 E C -0.461 176.151 176.600 0.020 0.000 0.966 552 E CA -0.077 56.330 56.400 0.012 0.000 1.257 552 E CB 1.851 31.551 29.700 0.000 0.000 1.053 552 E HN -0.011 nan 8.360 nan 0.000 0.487 553 V N 2.478 122.406 119.914 0.022 0.000 2.326 553 V HA 0.331 4.453 4.120 0.002 0.000 0.281 553 V C -0.247 175.871 176.094 0.040 0.000 1.015 553 V CA -0.765 61.549 62.300 0.023 0.000 0.823 553 V CB 1.272 33.103 31.823 0.013 0.000 1.009 553 V HN 0.091 nan 8.190 nan 0.000 0.436 554 N N 3.525 122.250 118.700 0.042 0.000 2.342 554 N HA 0.672 5.414 4.740 0.002 0.000 0.293 554 N C -1.151 174.384 175.510 0.041 0.000 1.026 554 N CA -0.324 52.757 53.050 0.051 0.000 0.857 554 N CB 2.813 41.333 38.487 0.055 0.000 1.256 554 N HN 0.362 nan 8.380 nan 0.000 0.484 555 V N 0.568 120.511 119.914 0.048 0.000 2.524 555 V HA 0.624 4.745 4.120 0.002 0.000 0.297 555 V C 0.510 176.578 176.094 -0.044 0.000 1.035 555 V CA -0.883 61.414 62.300 -0.005 0.000 0.867 555 V CB 1.523 33.366 31.823 0.034 0.000 1.004 555 V HN 0.742 nan 8.190 nan 0.000 0.426 556 G N 2.253 110.970 108.800 -0.138 0.000 2.537 556 G HA2 0.750 4.711 3.960 0.002 0.000 0.323 556 G HA3 0.750 4.711 3.960 0.002 0.000 0.323 556 G C -1.006 173.688 174.900 -0.344 0.000 1.207 556 G CA -0.509 44.550 45.100 -0.068 0.000 0.976 556 G HN 0.706 nan 8.290 nan 0.000 0.487 557 H N 0.804 119.937 119.070 0.106 0.000 3.172 557 H HA 0.179 4.736 4.556 0.002 0.000 0.322 557 H C -0.727 174.658 175.328 0.095 0.000 1.003 557 H CA -0.615 55.488 56.048 0.092 0.000 1.466 557 H CB 1.676 31.472 29.762 0.057 0.000 1.673 557 H HN 0.150 nan 8.280 nan 0.000 0.512 558 I N 4.284 124.969 120.570 0.192 0.000 2.379 558 I HA -0.015 4.157 4.170 0.002 0.000 0.290 558 I C 1.468 177.663 176.117 0.130 0.000 1.063 558 I CA 0.083 61.477 61.300 0.156 0.000 1.351 558 I CB 0.612 38.730 38.000 0.197 0.000 1.410 558 I HN 0.333 nan 8.210 nan 0.000 0.505 559 V N 5.597 125.579 119.914 0.114 0.000 2.620 559 V HA 0.233 4.355 4.120 0.002 0.000 0.194 559 V C 0.771 176.926 176.094 0.101 0.000 1.155 559 V CA 0.298 62.658 62.300 0.099 0.000 1.265 559 V CB -0.712 31.166 31.823 0.090 0.000 0.841 559 V HN 0.942 nan 8.190 nan 0.000 0.488 560 T N 0.517 115.135 114.554 0.106 0.000 0.541 560 T HA -0.165 4.186 4.350 0.002 0.000 0.774 560 T C -0.261 174.522 174.700 0.138 0.000 0.992 560 T CA 0.551 62.742 62.100 0.152 0.000 4.077 560 T CB -0.594 68.388 68.868 0.190 0.000 2.303 560 T HN 0.733 nan 8.240 nan 0.000 0.398 561 D N -0.141 120.374 120.400 0.192 0.000 2.340 561 D HA 0.358 4.999 4.640 0.002 0.000 0.217 561 D C 1.040 177.125 176.300 -0.358 0.000 1.081 561 D CA 0.415 54.361 54.000 -0.090 0.000 0.842 561 D CB 0.039 40.714 40.800 -0.207 0.000 0.934 561 D HN 0.454 nan 8.370 nan 0.000 0.511 562 F N -0.617 119.343 119.950 0.017 0.000 2.671 562 F HA 0.342 4.870 4.527 0.002 0.000 0.303 562 F C 0.820 176.636 175.800 0.027 0.000 0.935 562 F CA -0.347 57.663 58.000 0.017 0.000 1.136 562 F CB 0.409 39.418 39.000 0.015 0.000 0.929 562 F HN -0.234 nan 8.300 nan 0.000 0.659 563 I N 0.155 120.868 120.570 0.238 0.000 2.783 563 I HA 0.259 4.430 4.170 0.002 0.000 0.312 563 I C 0.301 176.485 176.117 0.112 0.000 0.988 563 I CA -0.066 61.326 61.300 0.154 0.000 1.182 563 I CB 1.286 39.369 38.000 0.139 0.000 1.368 563 I HN 0.050 nan 8.210 nan 0.000 0.511 564 N N 0.717 119.472 118.700 0.091 0.000 2.167 564 N HA 0.134 4.875 4.740 0.002 0.000 0.234 564 N C -0.721 174.817 175.510 0.045 0.000 1.312 564 N CA -0.101 52.992 53.050 0.072 0.000 0.861 564 N CB 0.643 39.176 38.487 0.077 0.000 1.217 564 N HN 0.563 nan 8.380 nan 0.000 0.504 565 E N 0.521 120.736 120.200 0.024 0.000 2.354 565 E HA 0.216 4.567 4.350 0.002 0.000 0.269 565 E C -0.765 175.706 176.600 -0.216 0.000 1.036 565 E CA -0.154 56.177 56.400 -0.115 0.000 0.876 565 E CB 1.988 31.616 29.700 -0.121 0.000 1.009 565 E HN -0.090 nan 8.360 nan 0.000 0.416 566 V N 4.417 124.115 119.914 -0.360 0.000 2.448 566 V HA 0.185 4.306 4.120 0.002 0.000 0.295 566 V C -0.558 175.206 176.094 -0.550 0.000 1.025 566 V CA -0.755 61.342 62.300 -0.338 0.000 0.859 566 V CB 1.176 32.964 31.823 -0.058 0.000 0.988 566 V HN 0.663 nan 8.190 nan 0.000 0.431 567 H N 3.689 122.639 119.070 -0.199 0.000 2.638 567 H HA 0.455 5.012 4.556 0.002 0.000 0.317 567 H C -0.667 174.585 175.328 -0.127 0.000 1.006 567 H CA -0.466 55.509 56.048 -0.121 0.000 1.222 567 H CB 1.968 31.683 29.762 -0.079 0.000 1.419 567 H HN 0.382 nan 8.280 nan 0.000 0.489 568 V N 3.947 123.867 119.914 0.009 0.000 2.607 568 V HA 0.160 4.281 4.120 0.002 0.000 0.289 568 V C 0.443 176.555 176.094 0.031 0.000 1.053 568 V CA -0.473 61.833 62.300 0.009 0.000 0.996 568 V CB 1.259 33.081 31.823 -0.002 0.000 0.995 568 V HN 0.707 nan 8.190 nan 0.000 0.476 569 N N 1.335 120.051 118.700 0.026 0.000 2.235 569 N HA 0.517 5.258 4.740 0.002 0.000 0.293 569 N C -0.287 175.233 175.510 0.017 0.000 1.083 569 N CA -0.369 52.696 53.050 0.024 0.000 0.801 569 N CB 2.209 40.714 38.487 0.031 0.000 1.559 569 N HN 0.706 nan 8.380 nan 0.000 0.472 570 C N 0.022 119.328 119.300 0.009 0.000 3.186 570 C HA 0.206 4.667 4.460 0.002 0.000 0.130 570 C C -0.740 174.254 174.990 0.007 0.000 2.543 570 C CA 0.746 59.767 59.018 0.004 0.000 0.995 570 C CB -0.659 27.076 27.740 -0.008 0.000 1.604 570 C HN 1.006 nan 8.230 nan 0.000 0.645 571 D N 1.419 121.819 120.400 -0.000 0.000 2.262 571 D HA -0.165 4.476 4.640 0.002 0.000 0.055 571 D C -0.455 175.850 176.300 0.007 0.000 0.874 571 D CA 0.795 54.794 54.000 -0.001 0.000 0.270 571 D CB -0.425 40.371 40.800 -0.006 0.000 0.709 571 D HN 0.325 nan 8.370 nan 0.000 0.203 572 S N 1.722 117.425 115.700 0.005 0.000 2.466 572 S HA 0.529 5.000 4.470 0.002 0.000 0.286 572 S C 0.608 175.215 174.600 0.012 0.000 1.221 572 S CA 0.397 58.603 58.200 0.011 0.000 1.091 572 S CB -0.260 62.947 63.200 0.012 0.000 0.956 572 S HN 1.327 nan 8.310 nan 0.000 0.501 573 G N 4.020 112.831 108.800 0.018 0.000 3.306 573 G HA2 0.142 4.103 3.960 0.002 0.000 0.672 573 G HA3 0.142 4.103 3.960 0.002 0.000 0.672 573 G C -0.904 174.014 174.900 0.030 0.000 1.212 573 G CA -0.866 44.246 45.100 0.020 0.000 1.150 573 G HN 0.926 nan 8.290 nan 0.000 0.509 574 R N 0.314 120.838 120.500 0.040 0.000 3.963 574 R HA 0.284 4.626 4.340 0.002 0.000 0.314 574 R C -0.904 175.422 176.300 0.043 0.000 0.853 574 R CA -1.095 55.036 56.100 0.053 0.000 1.136 574 R CB -0.369 29.959 30.300 0.046 0.000 1.382 574 R HN 0.831 nan 8.270 nan 0.000 0.465 575 V N 3.812 123.754 119.914 0.047 0.000 2.450 575 V HA 0.187 4.308 4.120 0.002 0.000 0.281 575 V C 0.555 176.621 176.094 -0.046 0.000 1.019 575 V CA 0.184 62.466 62.300 -0.030 0.000 1.062 575 V CB -0.318 31.430 31.823 -0.126 0.000 0.979 575 V HN 0.747 nan 8.190 nan 0.000 0.477 576 R N 3.678 124.138 120.500 -0.067 0.000 2.750 576 R HA 0.854 5.195 4.340 0.002 0.000 0.281 576 R C -0.671 175.484 176.300 -0.241 0.000 0.972 576 R CA -1.145 54.895 56.100 -0.100 0.000 0.912 576 R CB 1.775 32.061 30.300 -0.024 0.000 1.187 576 R HN 0.538 nan 8.270 nan 0.000 0.464 577 R N 2.239 122.580 120.500 -0.266 0.000 2.474 577 R HA 0.463 4.804 4.340 0.002 0.000 0.295 577 R C -2.494 173.514 176.300 -0.486 0.000 0.980 577 R CA -1.964 53.928 56.100 -0.347 0.000 0.934 577 R CB 1.336 31.512 30.300 -0.206 0.000 1.101 577 R HN 0.536 nan 8.270 nan 0.000 0.469 578 P HA 0.246 nan 4.420 nan 0.000 0.298 578 P C -1.173 176.050 177.300 -0.129 0.000 1.365 578 P CA -0.245 62.558 63.100 -0.495 0.000 0.835 578 P CB 1.037 32.402 31.700 -0.558 0.000 0.948 579 L N 3.588 124.814 121.223 0.004 0.000 2.313 579 L HA 0.557 4.899 4.340 0.002 0.000 0.268 579 L C 0.911 177.886 176.870 0.176 0.000 1.010 579 L CA -1.460 53.438 54.840 0.097 0.000 0.814 579 L CB 1.523 43.634 42.059 0.087 0.000 1.304 579 L HN 0.197 nan 8.230 nan 0.000 0.441 580 I N 1.923 122.601 120.570 0.180 0.000 2.581 580 I HA 0.143 4.314 4.170 0.002 0.000 0.288 580 I C -0.249 175.966 176.117 0.163 0.000 1.047 580 I CA -0.407 60.983 61.300 0.151 0.000 1.374 580 I CB 1.122 39.198 38.000 0.126 0.000 1.423 580 I HN 0.239 nan 8.210 nan 0.000 0.549 581 I N 6.066 126.684 120.570 0.081 0.000 2.385 581 I HA 0.274 4.445 4.170 0.002 0.000 0.294 581 I C -0.116 175.979 176.117 -0.036 0.000 0.988 581 I CA -0.518 60.768 61.300 -0.023 0.000 1.265 581 I CB 1.336 39.319 38.000 -0.030 0.000 1.388 581 I HN 0.137 nan 8.210 nan 0.000 0.480 582 V N 4.996 124.852 119.914 -0.097 0.000 2.443 582 V HA 0.176 4.297 4.120 0.002 0.000 0.272 582 V C 0.194 176.266 176.094 -0.037 0.000 1.002 582 V CA -0.594 61.691 62.300 -0.026 0.000 0.840 582 V CB 1.250 33.096 31.823 0.039 0.000 1.042 582 V HN 0.882 nan 8.190 nan 0.000 0.446 583 S N 3.170 118.853 115.700 -0.028 0.000 2.537 583 S HA 0.446 4.917 4.470 0.002 0.000 0.275 583 S C 0.540 175.142 174.600 0.003 0.000 1.272 583 S CA -0.468 57.724 58.200 -0.014 0.000 1.050 583 S CB 0.700 63.891 63.200 -0.014 0.000 0.961 583 S HN 0.753 nan 8.310 nan 0.000 0.496 584 N N 1.356 120.060 118.700 0.007 0.000 2.725 584 N HA -0.155 4.586 4.740 0.002 0.000 0.251 584 N C 0.697 176.214 175.510 0.012 0.000 1.031 584 N CA 1.200 54.253 53.050 0.005 0.000 0.720 584 N CB -1.920 36.569 38.487 0.003 0.000 0.930 584 N HN 1.747 nan 8.380 nan 0.000 0.543 585 G N -0.224 108.589 108.800 0.022 0.000 2.386 585 G HA2 -0.329 3.633 3.960 0.002 0.000 0.295 585 G HA3 -0.329 3.633 3.960 0.002 0.000 0.295 585 G C -0.284 174.642 174.900 0.043 0.000 0.979 585 G CA 0.428 45.552 45.100 0.040 0.000 1.193 585 G HN 0.655 nan 8.290 nan 0.000 0.508 586 N N -0.245 118.480 118.700 0.041 0.000 2.242 586 N HA 0.549 5.291 4.740 0.002 0.000 0.292 586 N C -2.197 173.339 175.510 0.044 0.000 1.125 586 N CA -1.172 51.902 53.050 0.040 0.000 0.783 586 N CB 3.024 41.527 38.487 0.027 0.000 1.558 586 N HN 0.101 nan 8.380 nan 0.000 0.472 587 P HA 0.510 nan 4.420 nan 0.000 0.318 587 P C -1.023 176.301 177.300 0.040 0.000 1.387 587 P CA -0.166 62.967 63.100 0.054 0.000 0.865 587 P CB 0.721 32.461 31.700 0.067 0.000 2.164 588 L N -2.203 119.045 121.223 0.041 0.000 2.849 588 L HA 0.294 4.635 4.340 0.002 0.000 0.256 588 L C 0.084 176.974 176.870 0.033 0.000 0.951 588 L CA -0.455 54.402 54.840 0.029 0.000 1.003 588 L CB 0.971 43.040 42.059 0.018 0.000 1.408 588 L HN -0.088 nan 8.230 nan 0.000 0.463 589 V N -0.270 119.662 119.914 0.031 0.000 2.695 589 V HA -0.032 4.090 4.120 0.002 0.000 0.230 589 V C 2.052 178.164 176.094 0.030 0.000 1.110 589 V CA 1.641 63.963 62.300 0.036 0.000 1.159 589 V CB -0.010 31.837 31.823 0.039 0.000 0.875 589 V HN 0.887 nan 8.190 nan 0.000 0.502 590 T N 1.619 116.188 114.554 0.024 0.000 2.693 590 T HA -0.340 4.011 4.350 0.002 0.000 0.263 590 T C 1.723 176.433 174.700 0.017 0.000 1.046 590 T CA 2.719 64.830 62.100 0.020 0.000 1.160 590 T CB -0.593 68.283 68.868 0.014 0.000 0.853 590 T HN 0.320 nan 8.240 nan 0.000 0.462 591 I N 1.205 121.783 120.570 0.013 0.000 2.130 591 I HA -0.278 3.893 4.170 0.002 0.000 0.241 591 I C 2.588 178.713 176.117 0.015 0.000 1.023 591 I CA 1.776 63.081 61.300 0.008 0.000 1.293 591 I CB -0.669 37.333 38.000 0.003 0.000 1.001 591 I HN 0.208 nan 8.210 nan 0.000 0.407 592 E N 0.704 120.920 120.200 0.025 0.000 2.108 592 E HA -0.277 4.074 4.350 0.002 0.000 0.203 592 E C 1.832 178.449 176.600 0.029 0.000 1.022 592 E CA 1.998 58.418 56.400 0.033 0.000 0.823 592 E CB -0.439 29.289 29.700 0.047 0.000 0.744 592 E HN 0.615 nan 8.360 nan 0.000 0.456 593 D N 0.106 120.523 120.400 0.029 0.000 2.310 593 D HA -0.132 4.509 4.640 0.002 0.000 0.212 593 D C 1.953 178.265 176.300 0.021 0.000 0.965 593 D CA 0.570 54.587 54.000 0.028 0.000 0.879 593 D CB 0.072 40.889 40.800 0.028 0.000 0.921 593 D HN 0.291 nan 8.370 nan 0.000 0.510 594 I N 0.681 121.260 120.570 0.015 0.000 2.277 594 I HA -0.110 4.061 4.170 0.002 0.000 0.243 594 I C 2.028 178.150 176.117 0.008 0.000 1.094 594 I CA 0.905 62.211 61.300 0.010 0.000 1.393 594 I CB -1.025 36.978 38.000 0.005 0.000 1.078 594 I HN -0.100 nan 8.210 nan 0.000 0.417 595 E N 1.661 121.865 120.200 0.007 0.000 2.204 595 E HA -0.149 4.202 4.350 0.002 0.000 0.194 595 E C 2.089 178.689 176.600 0.000 0.000 0.989 595 E CA 0.751 57.152 56.400 0.001 0.000 0.824 595 E CB -0.027 29.672 29.700 -0.003 0.000 0.756 595 E HN 0.445 nan 8.360 nan 0.000 0.477 596 K N 0.337 120.743 120.400 0.010 0.000 2.059 596 K HA -0.142 4.179 4.320 0.002 0.000 0.212 596 K C 0.931 177.543 176.600 0.019 0.000 1.050 596 K CA 1.011 57.310 56.287 0.019 0.000 0.927 596 K CB -0.025 32.495 32.500 0.033 0.000 0.714 596 K HN 0.125 nan 8.250 nan 0.000 0.447 597 L N 1.153 122.386 121.223 0.017 0.000 3.096 597 L HA 0.195 4.537 4.340 0.002 0.000 0.272 597 L C -1.280 175.596 176.870 0.010 0.000 1.311 597 L CA -0.344 54.505 54.840 0.016 0.000 0.943 597 L CB 0.228 42.299 42.059 0.020 0.000 1.348 597 L HN 0.172 nan 8.230 nan 0.000 0.562 598 E N 0.231 120.434 120.200 0.006 0.000 7.553 598 E HA -0.127 4.224 4.350 0.002 0.000 0.426 598 E C -0.605 175.996 176.600 0.002 0.000 0.455 598 E CA 0.527 56.928 56.400 0.002 0.000 0.852 598 E CB -0.348 29.354 29.700 0.003 0.000 0.955 598 E HN 0.424 nan 8.360 nan 0.000 0.262 599 S N 1.171 116.871 115.700 -0.001 0.000 2.536 599 S HA 0.733 5.204 4.470 0.002 0.000 0.298 599 S C 0.902 175.500 174.600 -0.003 0.000 1.083 599 S CA -0.153 58.047 58.200 -0.001 0.000 0.995 599 S CB 2.045 65.244 63.200 -0.001 0.000 1.058 599 S HN 0.690 nan 8.310 nan 0.000 0.488 600 G N 1.005 109.803 108.800 -0.004 0.000 2.494 600 G HA2 0.214 4.175 3.960 0.002 0.000 0.216 600 G HA3 0.214 4.175 3.960 0.002 0.000 0.216 600 G C 1.377 176.271 174.900 -0.011 0.000 1.140 600 G CA 0.406 45.502 45.100 -0.007 0.000 0.801 600 G HN 1.203 nan 8.290 nan 0.000 0.536 601 A N 0.045 122.859 122.820 -0.010 0.000 2.234 601 A HA 0.288 4.609 4.320 0.002 0.000 0.216 601 A C 1.211 178.784 177.584 -0.019 0.000 1.167 601 A CA 0.616 52.643 52.037 -0.017 0.000 0.698 601 A CB -0.306 18.686 19.000 -0.014 0.000 0.779 601 A HN 0.530 nan 8.150 nan 0.000 0.475 602 I N -2.445 118.118 120.570 -0.012 0.000 9.325 602 I HA -0.294 3.877 4.170 0.002 0.000 0.143 602 I C 0.804 176.922 176.117 0.002 0.000 1.861 602 I CA 0.794 62.089 61.300 -0.009 0.000 2.056 602 I CB -1.065 36.926 38.000 -0.014 0.000 3.975 602 I HN 0.493 nan 8.210 nan 0.000 0.177 603 T N 0.483 115.044 114.554 0.012 0.000 2.855 603 T HA 0.075 4.426 4.350 0.002 0.000 0.322 603 T C 0.707 175.460 174.700 0.089 0.000 1.088 603 T CA 0.412 62.539 62.100 0.047 0.000 1.104 603 T CB 0.261 69.154 68.868 0.042 0.000 0.996 603 T HN 0.585 nan 8.240 nan 0.000 0.549 604 F N 1.656 121.588 119.950 -0.030 0.000 2.065 604 F HA -0.394 4.134 4.527 0.002 0.000 0.286 604 F C 1.968 177.772 175.800 0.006 0.000 1.072 604 F CA 2.653 60.654 58.000 0.002 0.000 1.288 604 F CB -0.709 38.324 39.000 0.055 0.000 0.963 604 F HN 0.709 nan 8.300 nan 0.000 0.496 605 D N -0.226 120.265 120.400 0.151 0.000 2.276 605 D HA -0.246 4.395 4.640 0.002 0.000 0.200 605 D C 1.561 177.809 176.300 -0.087 0.000 1.004 605 D CA 2.029 56.045 54.000 0.026 0.000 0.898 605 D CB -0.395 40.429 40.800 0.039 0.000 0.906 605 D HN 0.530 nan 8.370 nan 0.000 0.457 606 D N -1.329 119.013 120.400 -0.095 0.000 2.389 606 D HA 0.123 4.765 4.640 0.002 0.000 0.206 606 D C 1.953 178.169 176.300 -0.140 0.000 1.055 606 D CA -0.142 53.797 54.000 -0.101 0.000 0.856 606 D CB 0.366 41.131 40.800 -0.059 0.000 0.957 606 D HN 0.079 nan 8.370 nan 0.000 0.509 607 L N -0.086 121.005 121.223 -0.220 0.000 2.141 607 L HA -0.121 4.220 4.340 0.002 0.000 0.209 607 L C 1.999 178.711 176.870 -0.262 0.000 1.094 607 L CA 0.814 55.501 54.840 -0.254 0.000 0.763 607 L CB -0.029 41.803 42.059 -0.377 0.000 0.908 607 L HN 0.033 nan 8.230 nan 0.000 0.437 608 V N -1.461 118.256 119.914 -0.328 0.000 2.302 608 V HA -0.180 3.941 4.120 0.002 0.000 0.243 608 V C 2.495 178.493 176.094 -0.159 0.000 1.036 608 V CA 1.293 63.437 62.300 -0.261 0.000 1.020 608 V CB -0.811 30.820 31.823 -0.320 0.000 0.657 608 V HN 0.372 nan 8.190 nan 0.000 0.453 609 R N 0.221 120.636 120.500 -0.143 0.000 2.154 609 R HA -0.278 4.063 4.340 0.002 0.000 0.248 609 R C 2.401 178.657 176.300 -0.074 0.000 1.155 609 R CA 2.226 58.268 56.100 -0.097 0.000 0.979 609 R CB -0.249 30.002 30.300 -0.083 0.000 0.869 609 R HN 0.650 nan 8.270 nan 0.000 0.452 610 Q N -0.908 118.844 119.800 -0.080 0.000 2.369 610 Q HA -0.062 4.279 4.340 0.002 0.000 0.206 610 Q C 0.712 176.683 176.000 -0.048 0.000 0.963 610 Q CA 1.059 56.827 55.803 -0.060 0.000 0.894 610 Q CB 0.195 28.894 28.738 -0.065 0.000 0.965 610 Q HN 0.593 nan 8.270 nan 0.000 0.475 611 G N 0.455 109.224 108.800 -0.052 0.000 2.136 611 G HA2 -0.304 3.657 3.960 0.002 0.000 0.242 611 G HA3 -0.304 3.657 3.960 0.002 0.000 0.242 611 G C 0.588 175.476 174.900 -0.020 0.000 0.989 611 G CA 0.563 45.647 45.100 -0.027 0.000 0.682 611 G HN 0.381 nan 8.290 nan 0.000 0.522 612 K N -0.995 119.379 120.400 -0.042 0.000 2.211 612 K HA 0.290 4.611 4.320 0.002 0.000 0.201 612 K C 0.989 177.575 176.600 -0.023 0.000 1.052 612 K CA 0.579 56.846 56.287 -0.034 0.000 0.973 612 K CB 0.329 32.797 32.500 -0.052 0.000 0.766 612 K HN 0.373 nan 8.250 nan 0.000 0.466 613 I N 0.796 121.333 120.570 -0.056 0.000 2.693 613 I HA 0.295 4.466 4.170 0.002 0.000 0.303 613 I C -0.527 175.633 176.117 0.071 0.000 1.025 613 I CA -0.678 60.619 61.300 -0.005 0.000 1.086 613 I CB 1.851 39.757 38.000 -0.156 0.000 1.268 613 I HN 0.021 nan 8.210 nan 0.000 0.440 614 E N 2.941 123.254 120.200 0.188 0.000 2.314 614 E HA 0.358 4.709 4.350 0.002 0.000 0.272 614 E C -1.810 174.992 176.600 0.337 0.000 0.884 614 E CA -0.584 55.953 56.400 0.229 0.000 0.753 614 E CB 2.158 32.002 29.700 0.240 0.000 1.213 614 E HN 0.305 nan 8.360 nan 0.000 0.432 615 Y N 2.990 123.304 120.300 0.024 0.000 2.477 615 Y HA 0.285 4.836 4.550 0.002 0.000 0.349 615 Y C -0.103 175.794 175.900 -0.006 0.000 0.977 615 Y CA -0.500 57.606 58.100 0.011 0.000 1.214 615 Y CB 0.476 38.947 38.460 0.019 0.000 1.124 615 Y HN 0.394 nan 8.280 nan 0.000 0.521 616 L N 3.796 125.014 121.223 -0.009 0.000 2.265 616 L HA 0.161 4.503 4.340 0.002 0.000 0.288 616 L C 1.218 178.075 176.870 -0.022 0.000 1.058 616 L CA -0.135 54.679 54.840 -0.043 0.000 0.809 616 L CB 1.001 42.969 42.059 -0.153 0.000 1.179 616 L HN 0.557 nan 8.230 nan 0.000 0.429 617 D N 2.624 123.034 120.400 0.017 0.000 2.077 617 D HA -0.108 4.533 4.640 0.002 0.000 0.193 617 D C 1.203 177.521 176.300 0.030 0.000 0.989 617 D CA 1.950 55.970 54.000 0.033 0.000 0.831 617 D CB 0.458 41.287 40.800 0.049 0.000 0.979 617 D HN 0.694 nan 8.370 nan 0.000 0.449 618 A N -1.290 121.558 122.820 0.046 0.000 3.564 618 A HA -0.142 4.179 4.320 0.002 0.000 0.196 618 A C 1.626 179.313 177.584 0.173 0.000 1.294 618 A CA 1.055 53.136 52.037 0.074 0.000 1.188 618 A CB -1.679 17.329 19.000 0.013 0.000 0.809 618 A HN 0.185 nan 8.150 nan 0.000 0.393 619 E N 0.766 121.068 120.200 0.170 0.000 2.171 619 E HA -0.179 4.172 4.350 0.002 0.000 0.197 619 E C 1.638 178.290 176.600 0.085 0.000 0.997 619 E CA 2.188 58.668 56.400 0.134 0.000 0.810 619 E CB -0.080 29.659 29.700 0.065 0.000 0.738 619 E HN 0.724 nan 8.360 nan 0.000 0.467 620 E N -0.579 119.660 120.200 0.066 0.000 2.216 620 E HA -0.064 4.287 4.350 0.002 0.000 0.192 620 E C 1.721 178.323 176.600 0.003 0.000 0.973 620 E CA 0.209 56.638 56.400 0.048 0.000 0.851 620 E CB 0.016 29.746 29.700 0.050 0.000 0.804 620 E HN 0.287 nan 8.360 nan 0.000 0.477 621 E N 0.733 120.928 120.200 -0.007 0.000 2.267 621 E HA -0.259 4.092 4.350 0.002 0.000 0.197 621 E C 1.644 178.222 176.600 -0.038 0.000 0.998 621 E CA 0.905 57.275 56.400 -0.050 0.000 0.830 621 E CB 0.136 29.835 29.700 -0.000 0.000 0.751 621 E HN 0.132 nan 8.360 nan 0.000 0.491 622 E N 0.754 120.970 120.200 0.028 0.000 2.086 622 E HA -0.220 4.131 4.350 0.002 0.000 0.200 622 E C 1.603 178.187 176.600 -0.026 0.000 1.012 622 E CA 1.767 58.188 56.400 0.035 0.000 0.812 622 E CB 0.011 29.749 29.700 0.064 0.000 0.743 622 E HN 0.213 nan 8.360 nan 0.000 0.453 623 N N -0.219 118.451 118.700 -0.050 0.000 2.395 623 N HA 0.076 4.817 4.740 0.002 0.000 0.175 623 N C 0.127 175.350 175.510 -0.478 0.000 1.029 623 N CA 0.766 53.739 53.050 -0.128 0.000 0.897 623 N CB -0.145 38.347 38.487 0.009 0.000 0.991 623 N HN 0.191 nan 8.380 nan 0.000 0.441 624 A N 0.359 122.963 122.820 -0.361 0.000 2.366 624 A HA 0.433 4.754 4.320 0.002 0.000 0.250 624 A C -0.755 176.439 177.584 -0.650 0.000 1.099 624 A CA 0.096 51.887 52.037 -0.410 0.000 0.794 624 A CB 0.033 18.932 19.000 -0.169 0.000 1.056 624 A HN 0.218 nan 8.150 nan 0.000 0.499 625 Y N -1.863 118.535 120.300 0.162 0.000 2.576 625 Y HA 0.565 5.116 4.550 0.002 0.000 0.346 625 Y C -0.096 175.806 175.900 0.002 0.000 1.018 625 Y CA -1.103 57.041 58.100 0.073 0.000 1.050 625 Y CB 2.079 40.664 38.460 0.209 0.000 1.280 625 Y HN 0.627 nan 8.280 nan 0.000 0.474 626 V N -1.148 118.720 119.914 -0.075 0.000 2.971 626 V HA 0.979 5.100 4.120 0.002 0.000 0.309 626 V C -0.878 174.977 176.094 -0.399 0.000 1.130 626 V CA -1.375 60.826 62.300 -0.165 0.000 0.964 626 V CB 1.523 33.305 31.823 -0.069 0.000 1.029 626 V HN 1.007 nan 8.190 nan 0.000 0.427 627 A N 3.611 126.274 122.820 -0.260 0.000 2.273 627 A HA 0.734 5.055 4.320 0.002 0.000 0.315 627 A C 0.870 178.438 177.584 -0.026 0.000 1.256 627 A CA -0.541 51.381 52.037 -0.192 0.000 0.851 627 A CB 0.725 19.700 19.000 -0.041 0.000 1.172 627 A HN 1.540 nan 8.150 nan 0.000 0.508 628 L N 0.273 121.479 121.223 -0.028 0.000 2.017 628 L HA -0.190 4.152 4.340 0.002 0.000 0.234 628 L C 0.601 177.489 176.870 0.030 0.000 1.097 628 L CA 1.426 56.264 54.840 -0.003 0.000 0.816 628 L CB -0.842 41.199 42.059 -0.030 0.000 0.914 628 L HN 0.465 nan 8.230 nan 0.000 0.444 629 E N -0.560 119.684 120.200 0.074 0.000 2.281 629 E HA 0.308 4.659 4.350 0.002 0.000 0.262 629 E C -1.824 174.854 176.600 0.131 0.000 0.933 629 E CA -2.472 54.006 56.400 0.129 0.000 0.809 629 E CB 0.822 30.645 29.700 0.205 0.000 1.242 629 E HN -0.031 nan 8.360 nan 0.000 0.418 630 P HA -0.147 nan 4.420 nan 0.000 0.222 630 P C 0.913 178.285 177.300 0.121 0.000 1.147 630 P CA 1.034 64.211 63.100 0.130 0.000 0.790 630 P CB 0.486 32.263 31.700 0.129 0.000 0.780 631 N N 1.419 120.193 118.700 0.124 0.000 2.142 631 N HA -0.127 4.614 4.740 0.002 0.000 0.186 631 N C 0.734 176.304 175.510 0.100 0.000 1.023 631 N CA 1.404 54.518 53.050 0.107 0.000 0.852 631 N CB -0.322 38.231 38.487 0.110 0.000 0.998 631 N HN 0.119 nan 8.380 nan 0.000 0.424 632 D N 0.701 121.169 120.400 0.113 0.000 2.561 632 D HA -0.040 4.601 4.640 0.002 0.000 0.232 632 D C 1.522 177.918 176.300 0.160 0.000 1.198 632 D CA -0.358 53.711 54.000 0.115 0.000 0.826 632 D CB -0.240 40.625 40.800 0.108 0.000 0.992 632 D HN 0.248 nan 8.370 nan 0.000 0.490 633 L N 0.715 122.033 121.223 0.157 0.000 2.552 633 L HA -0.019 4.322 4.340 0.002 0.000 0.227 633 L C 1.628 178.592 176.870 0.156 0.000 1.146 633 L CA 0.987 55.955 54.840 0.213 0.000 0.858 633 L CB -0.731 41.425 42.059 0.161 0.000 0.969 633 L HN -0.027 nan 8.230 nan 0.000 0.451 634 T N -0.555 114.051 114.554 0.086 0.000 2.701 634 T HA -0.180 4.171 4.350 0.002 0.000 0.265 634 T C -0.774 173.910 174.700 -0.028 0.000 1.032 634 T CA 1.570 63.687 62.100 0.028 0.000 1.158 634 T CB -2.026 66.851 68.868 0.015 0.000 0.854 634 T HN 0.412 nan 8.240 nan 0.000 0.463 635 P HA 0.210 nan 4.420 nan 0.000 0.342 635 P C -0.499 176.681 177.300 -0.199 0.000 1.369 635 P CA -0.317 62.650 63.100 -0.220 0.000 0.800 635 P CB 0.198 31.656 31.700 -0.403 0.000 1.884 636 D N -0.331 119.926 120.400 -0.238 0.000 2.631 636 D HA 0.060 4.701 4.640 0.002 0.000 0.227 636 D C -0.377 175.862 176.300 -0.101 0.000 1.146 636 D CA -0.153 53.771 54.000 -0.126 0.000 1.009 636 D CB -0.590 40.159 40.800 -0.085 0.000 1.057 636 D HN 0.292 nan 8.370 nan 0.000 0.509 637 H N 0.935 120.054 119.070 0.081 0.000 2.489 637 H HA 0.148 4.705 4.556 0.002 0.000 0.322 637 H C 1.252 176.677 175.328 0.162 0.000 1.091 637 H CA -0.363 55.795 56.048 0.184 0.000 1.291 637 H CB 1.889 31.734 29.762 0.139 0.000 1.436 637 H HN 0.178 nan 8.280 nan 0.000 0.480 638 T N 2.083 116.849 114.554 0.353 0.000 2.867 638 T HA -0.028 4.323 4.350 0.002 0.000 0.268 638 T C 0.553 175.076 174.700 -0.295 0.000 1.057 638 T CA 1.127 63.231 62.100 0.008 0.000 1.136 638 T CB 0.092 68.960 68.868 -0.000 0.000 0.874 638 T HN 0.562 nan 8.240 nan 0.000 0.466 639 H N -0.914 118.236 119.070 0.134 0.000 2.895 639 H HA 0.546 5.104 4.556 0.002 0.000 0.373 639 H C -0.454 174.931 175.328 0.094 0.000 1.174 639 H CA -0.853 55.252 56.048 0.095 0.000 1.144 639 H CB 2.327 32.128 29.762 0.066 0.000 1.793 639 H HN 0.049 nan 8.280 nan 0.000 0.551 640 L N 0.386 121.734 121.223 0.208 0.000 2.805 640 L HA 0.396 4.737 4.340 0.002 0.000 0.242 640 L C -0.315 176.655 176.870 0.167 0.000 1.180 640 L CA -0.635 54.299 54.840 0.156 0.000 1.001 640 L CB 1.261 43.403 42.059 0.138 0.000 1.864 640 L HN 0.561 nan 8.230 nan 0.000 0.551 641 E N 0.825 121.118 120.200 0.154 0.000 2.260 641 E HA 0.210 4.561 4.350 0.002 0.000 0.266 641 E C 0.715 177.415 176.600 0.166 0.000 0.887 641 E CA -0.467 56.031 56.400 0.163 0.000 0.777 641 E CB 2.249 32.053 29.700 0.173 0.000 1.205 641 E HN 0.431 nan 8.360 nan 0.000 0.414 642 I N 0.516 121.179 120.570 0.154 0.000 2.142 642 I HA -0.115 4.056 4.170 0.002 0.000 0.240 642 I C 0.464 176.782 176.117 0.335 0.000 1.078 642 I CA 1.529 62.940 61.300 0.185 0.000 1.343 642 I CB -0.092 37.965 38.000 0.096 0.000 1.046 642 I HN 0.483 nan 8.210 nan 0.000 0.405 643 W N 0.289 121.608 121.300 0.031 0.000 3.423 643 W HA 0.314 4.975 4.660 0.002 0.000 0.330 643 W C 1.069 177.574 176.519 -0.024 0.000 1.102 643 W CA -0.827 56.550 57.345 0.053 0.000 1.261 643 W CB 1.181 30.717 29.460 0.126 0.000 1.283 643 W HN -0.202 nan 8.180 nan 0.000 0.447 644 S N 4.006 119.635 115.700 -0.118 0.000 2.368 644 S HA -0.104 4.367 4.470 0.002 0.000 0.225 644 S C -1.094 173.307 174.600 -0.333 0.000 1.030 644 S CA 1.209 59.281 58.200 -0.215 0.000 0.999 644 S CB -0.822 62.199 63.200 -0.298 0.000 0.844 644 S HN 0.373 nan 8.310 nan 0.000 0.459 645 P HA 0.066 nan 4.420 nan 0.000 0.240 645 P C 0.214 177.329 177.300 -0.307 0.000 1.186 645 P CA 0.652 63.377 63.100 -0.626 0.000 0.755 645 P CB -0.200 30.709 31.700 -1.318 0.000 0.870 646 A N -1.100 121.655 122.820 -0.109 0.000 2.532 646 A HA 0.200 4.521 4.320 0.002 0.000 0.273 646 A C 1.354 178.817 177.584 -0.202 0.000 1.342 646 A CA -0.100 51.961 52.037 0.040 0.000 0.929 646 A CB -1.030 18.091 19.000 0.202 0.000 1.051 646 A HN 0.151 nan 8.150 nan 0.000 0.521 647 I N -0.528 119.862 120.570 -0.299 0.000 3.030 647 I HA 0.062 4.234 4.170 0.002 0.000 0.270 647 I C 0.399 176.350 176.117 -0.277 0.000 1.211 647 I CA 0.273 61.334 61.300 -0.399 0.000 1.479 647 I CB -0.053 37.692 38.000 -0.425 0.000 1.105 647 I HN 0.224 nan 8.210 nan 0.000 0.447 648 L N 1.466 122.575 121.223 -0.191 0.000 2.397 648 L HA 0.314 4.655 4.340 0.002 0.000 0.271 648 L C 1.046 177.870 176.870 -0.076 0.000 1.148 648 L CA -0.336 54.426 54.840 -0.131 0.000 0.825 648 L CB 0.271 42.285 42.059 -0.076 0.000 1.117 648 L HN 0.108 nan 8.230 nan 0.000 0.456 649 G N 1.840 110.604 108.800 -0.060 0.000 2.653 649 G HA2 0.207 4.169 3.960 0.002 0.000 0.265 649 G HA3 0.207 4.169 3.960 0.002 0.000 0.265 649 G C 1.136 176.025 174.900 -0.018 0.000 1.237 649 G CA -0.550 44.530 45.100 -0.034 0.000 0.946 649 G HN 0.654 nan 8.290 nan 0.000 0.522 650 I N -1.456 119.100 120.570 -0.023 0.000 2.315 650 I HA -0.089 4.082 4.170 0.002 0.000 0.248 650 I C 2.117 178.220 176.117 -0.023 0.000 1.117 650 I CA 1.844 63.124 61.300 -0.033 0.000 1.404 650 I CB -2.290 35.675 38.000 -0.058 0.000 1.071 650 I HN 0.367 nan 8.210 nan 0.000 0.419 651 T N 2.491 117.041 114.554 -0.007 0.000 2.674 651 T HA -0.002 4.350 4.350 0.002 0.000 0.265 651 T C 2.202 176.896 174.700 -0.010 0.000 1.039 651 T CA 1.951 64.052 62.100 0.002 0.000 1.150 651 T CB -0.686 68.195 68.868 0.022 0.000 0.864 651 T HN 0.531 nan 8.240 nan 0.000 0.427 652 A N 1.459 124.296 122.820 0.028 0.000 2.084 652 A HA -0.130 4.191 4.320 0.002 0.000 0.221 652 A C 2.529 180.112 177.584 -0.001 0.000 1.161 652 A CA 1.818 53.898 52.037 0.071 0.000 0.653 652 A CB -0.852 18.259 19.000 0.184 0.000 0.802 652 A HN 0.446 nan 8.150 nan 0.000 0.457 653 S N -0.623 115.054 115.700 -0.040 0.000 2.395 653 S HA -0.053 4.418 4.470 0.002 0.000 0.225 653 S C 1.627 176.137 174.600 -0.149 0.000 1.027 653 S CA 0.987 59.143 58.200 -0.073 0.000 0.965 653 S CB -0.371 62.807 63.200 -0.037 0.000 0.812 653 S HN 0.472 nan 8.310 nan 0.000 0.482 654 I N 2.138 122.593 120.570 -0.191 0.000 2.300 654 I HA -0.179 3.992 4.170 0.002 0.000 0.252 654 I C 0.525 176.451 176.117 -0.317 0.000 1.119 654 I CA 1.018 62.125 61.300 -0.322 0.000 1.384 654 I CB -0.707 37.065 38.000 -0.380 0.000 1.062 654 I HN 0.256 nan 8.210 nan 0.000 0.426 655 I N 2.910 123.321 120.570 -0.266 0.000 2.452 655 I HA 0.130 4.301 4.170 0.002 0.000 0.287 655 I C -2.126 173.788 176.117 -0.339 0.000 1.079 655 I CA -1.718 59.380 61.300 -0.337 0.000 1.387 655 I CB -0.235 37.575 38.000 -0.317 0.000 1.404 655 I HN -0.078 nan 8.210 nan 0.000 0.522 656 P HA 0.114 nan 4.420 nan 0.000 0.282 656 P C -0.772 176.323 177.300 -0.343 0.000 1.262 656 P CA -0.052 62.735 63.100 -0.521 0.000 0.773 656 P CB 0.331 31.712 31.700 -0.531 0.000 0.879 657 Y N 1.623 121.853 120.300 -0.117 0.000 4.490 657 Y HA -0.193 4.358 4.550 0.002 0.000 0.233 657 Y C -0.911 175.061 175.900 0.120 0.000 1.101 657 Y CA 0.029 58.120 58.100 -0.015 0.000 2.010 657 Y CB -2.942 35.402 38.460 -0.193 0.000 1.622 657 Y HN 0.382 nan 8.280 nan 0.000 0.675 658 P HA -0.218 nan 4.420 nan 0.000 0.217 658 P C 0.527 177.917 177.300 0.149 0.000 1.148 658 P CA 2.181 65.317 63.100 0.060 0.000 0.828 658 P CB -0.094 31.584 31.700 -0.037 0.000 0.783 659 E N -0.269 120.059 120.200 0.214 0.000 3.603 659 E HA -0.115 4.237 4.350 0.002 0.000 0.281 659 E C 0.604 177.265 176.600 0.102 0.000 1.407 659 E CA 0.597 57.105 56.400 0.179 0.000 1.463 659 E CB -1.328 28.486 29.700 0.191 0.000 1.211 659 E HN 0.482 nan 8.360 nan 0.000 0.440 660 H N -0.942 118.186 119.070 0.097 0.000 3.582 660 H HA 0.121 4.678 4.556 0.002 0.000 0.251 660 H C -0.586 174.768 175.328 0.044 0.000 1.095 660 H CA -0.375 55.719 56.048 0.077 0.000 1.157 660 H CB 0.313 30.137 29.762 0.104 0.000 1.485 660 H HN 0.258 nan 8.280 nan 0.000 0.840 661 N N 1.365 120.137 118.700 0.121 0.000 2.272 661 N HA 0.158 4.899 4.740 0.002 0.000 0.305 661 N C -0.462 175.027 175.510 -0.036 0.000 1.103 661 N CA -0.573 52.497 53.050 0.033 0.000 0.791 661 N CB 2.455 40.949 38.487 0.013 0.000 1.356 661 N HN 0.061 nan 8.380 nan 0.000 0.486 662 Q N 1.697 121.462 119.800 -0.058 0.000 2.264 662 Q HA -0.090 4.251 4.340 0.002 0.000 0.296 662 Q C 1.036 176.950 176.000 -0.143 0.000 1.103 662 Q CA 0.278 56.034 55.803 -0.079 0.000 0.967 662 Q CB 0.420 29.108 28.738 -0.084 0.000 1.090 662 Q HN 0.761 nan 8.270 nan 0.000 0.379 663 S N 4.613 120.259 115.700 -0.090 0.000 2.206 663 S HA -0.262 4.210 4.470 0.002 0.000 0.454 663 S C -1.060 173.401 174.600 -0.231 0.000 1.033 663 S CA 2.265 60.415 58.200 -0.084 0.000 2.646 663 S CB -1.341 61.883 63.200 0.040 0.000 1.946 663 S HN 0.871 nan 8.310 nan 0.000 0.522 664 P HA -0.013 nan 4.420 nan 0.000 0.220 664 P C 1.424 178.340 177.300 -0.640 0.000 1.148 664 P CA 1.144 64.034 63.100 -0.351 0.000 0.803 664 P CB -0.126 31.350 31.700 -0.372 0.000 0.782 665 R N -0.677 119.491 120.500 -0.554 0.000 2.152 665 R HA -0.038 4.303 4.340 0.002 0.000 0.232 665 R C 1.684 177.802 176.300 -0.303 0.000 1.117 665 R CA 0.927 56.760 56.100 -0.444 0.000 0.981 665 R CB -1.410 28.740 30.300 -0.250 0.000 0.870 665 R HN 0.300 nan 8.270 nan 0.000 0.451 666 N N -0.002 118.437 118.700 -0.434 0.000 2.109 666 N HA -0.085 4.656 4.740 0.002 0.000 0.188 666 N C 1.681 176.999 175.510 -0.320 0.000 1.034 666 N CA 1.632 54.337 53.050 -0.575 0.000 0.846 666 N CB -0.711 36.942 38.487 -1.390 0.000 1.010 666 N HN 0.077 nan 8.380 nan 0.000 0.425 667 T N 1.461 115.884 114.554 -0.218 0.000 2.592 667 T HA -0.203 4.149 4.350 0.002 0.000 0.267 667 T C 1.605 176.422 174.700 0.195 0.000 1.060 667 T CA 1.546 63.697 62.100 0.085 0.000 1.167 667 T CB -0.555 68.412 68.868 0.164 0.000 0.863 667 T HN 0.179 nan 8.240 nan 0.000 0.431 668 Y N 1.589 121.865 120.300 -0.040 0.000 2.081 668 Y HA -0.205 4.346 4.550 0.002 0.000 0.280 668 Y C 2.779 178.667 175.900 -0.019 0.000 1.163 668 Y CA 1.254 59.342 58.100 -0.020 0.000 1.135 668 Y CB -1.519 36.929 38.460 -0.019 0.000 0.970 668 Y HN 0.286 nan 8.280 nan 0.000 0.498 669 Q N 0.358 120.235 119.800 0.128 0.000 2.112 669 Q HA -0.161 4.180 4.340 0.002 0.000 0.206 669 Q C 1.920 177.941 176.000 0.036 0.000 0.987 669 Q CA 2.429 58.258 55.803 0.042 0.000 0.858 669 Q CB -0.672 28.036 28.738 -0.051 0.000 0.905 669 Q HN 0.278 nan 8.270 nan 0.000 0.420 670 S N -0.421 115.302 115.700 0.038 0.000 2.653 670 S HA 0.098 4.570 4.470 0.002 0.000 0.233 670 S C 1.174 175.810 174.600 0.061 0.000 0.970 670 S CA 0.504 58.737 58.200 0.054 0.000 0.947 670 S CB -0.211 63.044 63.200 0.092 0.000 0.771 670 S HN 0.572 nan 8.310 nan 0.000 0.538 671 A N 0.712 123.571 122.820 0.065 0.000 1.969 671 A HA 0.361 4.682 4.320 0.002 0.000 0.205 671 A C 1.818 179.433 177.584 0.052 0.000 1.364 671 A CA 0.091 52.159 52.037 0.052 0.000 0.756 671 A CB -0.341 18.682 19.000 0.038 0.000 0.988 671 A HN 0.415 nan 8.150 nan 0.000 0.490 672 M N 0.262 119.900 119.600 0.063 0.000 2.229 672 M HA -0.010 4.471 4.480 0.002 0.000 0.264 672 M C 2.300 178.637 176.300 0.062 0.000 1.063 672 M CA 1.196 56.539 55.300 0.071 0.000 1.114 672 M CB -0.211 32.437 32.600 0.079 0.000 1.387 672 M HN 0.489 nan 8.290 nan 0.000 0.420 673 A N 0.499 123.357 122.820 0.062 0.000 1.883 673 A HA -0.208 4.114 4.320 0.002 0.000 0.217 673 A C 2.026 179.654 177.584 0.073 0.000 1.186 673 A CA 1.850 53.941 52.037 0.090 0.000 0.624 673 A CB -0.541 18.505 19.000 0.076 0.000 0.822 673 A HN 0.403 nan 8.150 nan 0.000 0.444 674 K N -0.643 119.775 120.400 0.029 0.000 2.574 674 K HA -0.032 4.289 4.320 0.002 0.000 0.193 674 K C 1.611 178.155 176.600 -0.094 0.000 1.035 674 K CA 1.011 57.283 56.287 -0.026 0.000 0.982 674 K CB -0.010 32.473 32.500 -0.029 0.000 0.795 674 K HN 0.618 nan 8.250 nan 0.000 0.491 675 Q N -0.632 119.135 119.800 -0.055 0.000 2.217 675 Q HA 0.257 4.598 4.340 0.002 0.000 0.217 675 Q C -0.243 175.709 176.000 -0.081 0.000 0.844 675 Q CA -0.384 55.361 55.803 -0.096 0.000 0.957 675 Q CB 1.079 29.889 28.738 0.120 0.000 1.127 675 Q HN 0.232 nan 8.270 nan 0.000 0.503 676 A N 0.687 123.483 122.820 -0.041 0.000 2.386 676 A HA 0.414 4.736 4.320 0.002 0.000 0.246 676 A C -0.482 177.047 177.584 -0.092 0.000 1.089 676 A CA -0.021 52.002 52.037 -0.023 0.000 0.790 676 A CB 0.343 19.396 19.000 0.088 0.000 1.042 676 A HN 0.320 nan 8.150 nan 0.000 0.497 677 L N 1.056 122.235 121.223 -0.073 0.000 2.333 677 L HA 0.661 5.002 4.340 0.002 0.000 0.280 677 L C 0.705 177.577 176.870 0.004 0.000 1.004 677 L CA -0.137 54.657 54.840 -0.076 0.000 0.820 677 L CB 1.701 43.708 42.059 -0.087 0.000 1.247 677 L HN 0.974 nan 8.230 nan 0.000 0.416 678 G N 2.443 111.247 108.800 0.007 0.000 3.111 678 G HA2 0.416 4.377 3.960 0.002 0.000 0.158 678 G HA3 0.416 4.377 3.960 0.002 0.000 0.158 678 G C -1.799 173.083 174.900 -0.030 0.000 1.161 678 G CA -0.473 44.626 45.100 -0.002 0.000 1.025 678 G HN 0.315 nan 8.290 nan 0.000 0.619 679 L N 0.597 121.768 121.223 -0.087 0.000 2.322 679 L HA 0.674 5.015 4.340 0.002 0.000 0.279 679 L C 0.506 177.331 176.870 -0.074 0.000 1.036 679 L CA -0.671 54.066 54.840 -0.171 0.000 0.807 679 L CB 1.765 43.675 42.059 -0.248 0.000 1.226 679 L HN 0.739 nan 8.230 nan 0.000 0.433 680 Y N 3.105 123.288 120.300 -0.194 0.000 2.526 680 Y HA 0.835 5.386 4.550 0.002 0.000 0.265 680 Y C 0.005 175.889 175.900 -0.026 0.000 1.092 680 Y CA -0.019 58.038 58.100 -0.071 0.000 1.277 680 Y CB 0.137 38.562 38.460 -0.059 0.000 1.228 680 Y HN 0.664 nan 8.280 nan 0.000 0.507 681 A N 0.524 123.117 122.820 -0.378 0.000 2.547 681 A HA 0.664 4.985 4.320 0.002 0.000 0.298 681 A C 0.572 178.006 177.584 -0.250 0.000 1.062 681 A CA -0.399 51.484 52.037 -0.257 0.000 0.748 681 A CB 0.251 19.163 19.000 -0.148 0.000 1.288 681 A HN 0.705 nan 8.150 nan 0.000 0.396 682 A N 1.841 124.539 122.820 -0.204 0.000 2.245 682 A HA -0.123 4.199 4.320 0.002 0.000 0.217 682 A C 1.184 178.701 177.584 -0.111 0.000 1.171 682 A CA 1.965 53.916 52.037 -0.143 0.000 0.688 682 A CB -0.614 18.294 19.000 -0.154 0.000 0.781 682 A HN 1.319 nan 8.150 nan 0.000 0.479 683 N N -1.403 117.210 118.700 -0.144 0.000 2.200 683 N HA -0.037 4.704 4.740 0.002 0.000 0.224 683 N C 0.919 176.251 175.510 -0.297 0.000 1.179 683 N CA 0.299 53.230 53.050 -0.198 0.000 0.877 683 N CB -0.998 37.401 38.487 -0.147 0.000 1.072 683 N HN 0.626 nan 8.380 nan 0.000 0.519 684 Y N 0.068 120.110 120.300 -0.431 0.000 2.588 684 Y HA -0.182 4.370 4.550 0.002 0.000 0.279 684 Y C 2.028 177.690 175.900 -0.395 0.000 1.171 684 Y CA 0.937 58.697 58.100 -0.566 0.000 1.425 684 Y CB -0.412 37.496 38.460 -0.921 0.000 0.960 684 Y HN 0.026 nan 8.280 nan 0.000 0.585 685 Q N 1.203 120.441 119.800 -0.937 0.000 1.946 685 Q HA -0.017 4.324 4.340 0.002 0.000 0.199 685 Q C 1.623 177.397 176.000 -0.376 0.000 0.979 685 Q CA 2.049 57.397 55.803 -0.758 0.000 0.834 685 Q CB -0.336 28.029 28.738 -0.621 0.000 0.899 685 Q HN 0.599 nan 8.270 nan 0.000 0.431 686 L N 0.506 121.568 121.223 -0.269 0.000 2.650 686 L HA 0.133 4.474 4.340 0.002 0.000 0.235 686 L C 0.323 177.116 176.870 -0.129 0.000 1.149 686 L CA 0.433 55.176 54.840 -0.160 0.000 0.887 686 L CB -0.673 41.314 42.059 -0.120 0.000 1.021 686 L HN -0.085 nan 8.230 nan 0.000 0.441 687 R N 0.524 120.927 120.500 -0.162 0.000 2.539 687 R HA 0.321 4.663 4.340 0.002 0.000 0.275 687 R C 0.459 176.720 176.300 -0.065 0.000 1.077 687 R CA 0.181 56.226 56.100 -0.092 0.000 1.097 687 R CB 0.731 30.989 30.300 -0.070 0.000 1.018 687 R HN 0.025 nan 8.270 nan 0.000 0.483 688 T N 2.444 116.984 114.554 -0.023 0.000 3.410 688 T HA 0.214 4.565 4.350 0.002 0.000 0.328 688 T C -1.056 173.643 174.700 -0.000 0.000 1.567 688 T CA -0.749 61.347 62.100 -0.008 0.000 1.626 688 T CB -0.259 68.610 68.868 0.002 0.000 0.939 688 T HN 0.415 nan 8.240 nan 0.000 0.656 689 D N 1.597 121.993 120.400 -0.006 0.000 2.392 689 D HA 0.488 5.129 4.640 0.002 0.000 0.246 689 D C 0.162 176.428 176.300 -0.057 0.000 1.013 689 D CA -0.419 53.564 54.000 -0.028 0.000 0.993 689 D CB 1.364 42.146 40.800 -0.031 0.000 1.219 689 D HN 0.343 nan 8.370 nan 0.000 0.538 690 T N -0.560 113.942 114.554 -0.085 0.000 2.918 690 T HA 0.379 4.730 4.350 0.002 0.000 0.283 690 T C -0.159 174.428 174.700 -0.189 0.000 1.001 690 T CA -0.896 61.138 62.100 -0.110 0.000 1.041 690 T CB 0.377 69.194 68.868 -0.085 0.000 1.028 690 T HN 0.400 nan 8.240 nan 0.000 0.511 691 R N -0.357 119.982 120.500 -0.269 0.000 2.607 691 R HA 0.021 4.362 4.340 0.002 0.000 0.261 691 R C -0.253 175.736 176.300 -0.519 0.000 0.918 691 R CA 0.377 56.174 56.100 -0.505 0.000 0.760 691 R CB -2.121 28.130 30.300 -0.081 0.000 1.899 691 R HN 0.791 nan 8.270 nan 0.000 0.528 692 A N 1.977 124.407 122.820 -0.651 0.000 2.486 692 A HA 0.840 5.162 4.320 0.002 0.000 0.289 692 A C -0.854 176.518 177.584 -0.352 0.000 1.176 692 A CA -0.798 50.999 52.037 -0.400 0.000 0.757 692 A CB 1.445 20.247 19.000 -0.330 0.000 1.337 692 A HN 0.544 nan 8.150 nan 0.000 0.423 693 H N -0.292 118.783 119.070 0.009 0.000 2.930 693 H HA 0.526 5.084 4.556 0.002 0.000 0.371 693 H C -1.765 173.709 175.328 0.244 0.000 1.169 693 H CA -0.617 55.534 56.048 0.171 0.000 1.157 693 H CB 2.030 31.815 29.762 0.039 0.000 1.789 693 H HN 0.496 nan 8.280 nan 0.000 0.547 694 L N 3.872 125.313 121.223 0.363 0.000 2.406 694 L HA 0.236 4.577 4.340 0.002 0.000 0.272 694 L C -1.298 175.645 176.870 0.122 0.000 0.980 694 L CA -0.868 54.047 54.840 0.125 0.000 0.831 694 L CB 1.656 43.724 42.059 0.015 0.000 1.253 694 L HN 0.431 nan 8.230 nan 0.000 0.406 695 L N 5.125 126.382 121.223 0.057 0.000 2.361 695 L HA 0.255 4.596 4.340 0.002 0.000 0.278 695 L C 1.244 178.169 176.870 0.092 0.000 1.113 695 L CA 0.585 55.459 54.840 0.057 0.000 0.849 695 L CB 0.434 42.525 42.059 0.052 0.000 1.155 695 L HN 0.675 nan 8.230 nan 0.000 0.452 696 H N 4.342 123.415 119.070 0.005 0.000 2.319 696 H HA -0.132 4.425 4.556 0.002 0.000 0.299 696 H C -0.393 174.703 175.328 -0.387 0.000 1.092 696 H CA 1.755 57.722 56.048 -0.134 0.000 1.302 696 H CB 0.047 29.817 29.762 0.014 0.000 1.373 696 H HN 0.531 nan 8.280 nan 0.000 0.497 697 Y N 0.022 120.390 120.300 0.113 0.000 2.363 697 Y HA 0.294 4.845 4.550 0.002 0.000 0.325 697 Y C -2.335 173.558 175.900 -0.011 0.000 0.984 697 Y CA -2.715 55.405 58.100 0.033 0.000 1.248 697 Y CB 1.439 39.907 38.460 0.014 0.000 1.116 697 Y HN 0.012 nan 8.280 nan 0.000 0.470 698 P HA 0.300 nan 4.420 nan 0.000 0.277 698 P C -1.026 176.333 177.300 0.099 0.000 1.271 698 P CA -0.589 62.553 63.100 0.071 0.000 0.795 698 P CB 0.869 32.586 31.700 0.028 0.000 1.101 699 Q N 0.080 119.967 119.800 0.144 0.000 2.268 699 Q HA 0.286 4.627 4.340 0.002 0.000 0.266 699 Q C -0.686 175.455 176.000 0.234 0.000 1.006 699 Q CA -0.881 55.026 55.803 0.173 0.000 0.824 699 Q CB 2.624 31.462 28.738 0.167 0.000 1.306 699 Q HN 0.307 nan 8.270 nan 0.000 0.424 700 R N 3.033 123.617 120.500 0.141 0.000 2.486 700 R HA 0.035 4.376 4.340 0.002 0.000 0.303 700 R C -2.198 174.153 176.300 0.086 0.000 0.958 700 R CA -0.497 55.665 56.100 0.103 0.000 1.077 700 R CB 0.267 30.601 30.300 0.056 0.000 0.921 700 R HN 0.172 nan 8.270 nan 0.000 0.406 701 P HA 0.005 nan 4.420 nan 0.000 0.267 701 P C -0.646 176.559 177.300 -0.159 0.000 1.328 701 P CA 0.040 62.938 63.100 -0.336 0.000 0.990 701 P CB 0.373 31.572 31.700 -0.836 0.000 1.168 702 L N 4.513 125.727 121.223 -0.015 0.000 2.499 702 L HA 0.005 4.346 4.340 0.002 0.000 0.273 702 L C 0.040 176.898 176.870 -0.020 0.000 1.195 702 L CA 0.398 55.236 54.840 -0.002 0.000 0.882 702 L CB 0.126 42.210 42.059 0.041 0.000 1.133 702 L HN 0.201 nan 8.230 nan 0.000 0.483 703 V N 3.388 123.281 119.914 -0.035 0.000 3.699 703 V HA -0.230 3.891 4.120 0.002 0.000 0.464 703 V C -0.038 175.957 176.094 -0.166 0.000 0.681 703 V CA 0.874 63.138 62.300 -0.060 0.000 1.940 703 V CB -1.717 30.118 31.823 0.021 0.000 2.368 703 V HN 0.974 nan 8.190 nan 0.000 0.496 704 Q N 2.767 122.449 119.800 -0.197 0.000 2.668 704 Q HA 0.899 5.240 4.340 0.002 0.000 0.298 704 Q C -0.159 175.683 176.000 -0.264 0.000 1.071 704 Q CA -0.577 55.081 55.803 -0.241 0.000 0.789 704 Q CB 2.264 30.894 28.738 -0.179 0.000 1.497 704 Q HN 0.516 nan 8.270 nan 0.000 0.460 705 T N -0.606 113.803 114.554 -0.241 0.000 2.888 705 T HA 0.336 4.687 4.350 0.002 0.000 0.283 705 T C 0.591 175.208 174.700 -0.139 0.000 1.013 705 T CA -0.699 61.278 62.100 -0.205 0.000 0.938 705 T CB 0.903 69.666 68.868 -0.176 0.000 1.298 705 T HN 0.617 nan 8.240 nan 0.000 0.580 706 R N -0.683 119.761 120.500 -0.092 0.000 2.225 706 R HA 0.309 4.650 4.340 0.002 0.000 0.194 706 R C 2.340 178.652 176.300 0.020 0.000 0.957 706 R CA 0.500 56.518 56.100 -0.137 0.000 1.042 706 R CB -0.364 29.653 30.300 -0.472 0.000 1.004 706 R HN 0.667 nan 8.270 nan 0.000 0.509 707 A N 1.036 123.929 122.820 0.121 0.000 2.067 707 A HA -0.076 4.245 4.320 0.002 0.000 0.219 707 A C 1.637 179.244 177.584 0.037 0.000 1.158 707 A CA 0.619 52.727 52.037 0.118 0.000 0.661 707 A CB -0.343 18.734 19.000 0.128 0.000 0.801 707 A HN 0.258 nan 8.150 nan 0.000 0.452 708 L N -0.177 121.048 121.223 0.002 0.000 2.885 708 L HA -0.077 4.265 4.340 0.002 0.000 0.258 708 L C 0.802 177.716 176.870 0.073 0.000 1.146 708 L CA 1.896 56.736 54.840 0.001 0.000 0.922 708 L CB -1.092 40.906 42.059 -0.102 0.000 1.138 708 L HN 0.570 nan 8.230 nan 0.000 0.431 709 D N -1.247 119.204 120.400 0.085 0.000 3.165 709 D HA -0.018 4.623 4.640 0.002 0.000 0.264 709 D C 1.892 178.251 176.300 0.098 0.000 1.363 709 D CA -0.005 54.058 54.000 0.104 0.000 1.166 709 D CB 0.270 41.138 40.800 0.112 0.000 1.291 709 D HN 0.121 nan 8.370 nan 0.000 0.390 710 I N 0.692 121.298 120.570 0.060 0.000 3.334 710 I HA 0.083 4.254 4.170 0.002 0.000 0.282 710 I C 1.294 177.380 176.117 -0.052 0.000 1.313 710 I CA 0.806 62.101 61.300 -0.008 0.000 1.396 710 I CB -1.135 36.813 38.000 -0.087 0.000 1.054 710 I HN 0.225 nan 8.210 nan 0.000 0.495 711 I N 1.816 122.378 120.570 -0.014 0.000 2.716 711 I HA 0.106 4.277 4.170 0.002 0.000 0.259 711 I C 1.946 178.126 176.117 0.105 0.000 1.172 711 I CA 1.074 62.359 61.300 -0.026 0.000 1.478 711 I CB -0.346 37.652 38.000 -0.003 0.000 1.104 711 I HN 0.477 nan 8.210 nan 0.000 0.439 712 G N 0.232 109.194 108.800 0.269 0.000 2.175 712 G HA2 -0.368 3.593 3.960 0.002 0.000 0.244 712 G HA3 -0.368 3.593 3.960 0.002 0.000 0.244 712 G C 0.774 175.989 174.900 0.526 0.000 0.982 712 G CA 0.351 45.762 45.100 0.518 0.000 0.641 712 G HN 0.328 nan 8.290 nan 0.000 0.527 713 Y N 2.138 122.611 120.300 0.287 0.000 2.069 713 Y HA -0.266 4.285 4.550 0.002 0.000 0.278 713 Y C 3.235 179.201 175.900 0.110 0.000 1.175 713 Y CA 3.611 61.830 58.100 0.198 0.000 1.134 713 Y CB -0.344 38.159 38.460 0.071 0.000 0.965 713 Y HN 0.467 nan 8.280 nan 0.000 0.498 714 T N -1.681 113.024 114.554 0.253 0.000 2.897 714 T HA -0.240 4.111 4.350 0.002 0.000 0.271 714 T C 1.670 176.397 174.700 0.045 0.000 1.084 714 T CA 1.557 63.738 62.100 0.135 0.000 1.123 714 T CB -0.624 68.302 68.868 0.095 0.000 0.865 714 T HN 0.537 nan 8.240 nan 0.000 0.496 715 N N 0.957 119.659 118.700 0.004 0.000 2.300 715 N HA -0.014 4.727 4.740 0.002 0.000 0.179 715 N C 0.137 175.532 175.510 -0.193 0.000 1.016 715 N CA 0.361 53.348 53.050 -0.104 0.000 0.876 715 N CB 0.257 38.647 38.487 -0.162 0.000 0.979 715 N HN 0.325 nan 8.380 nan 0.000 0.432 716 R N 0.653 121.013 120.500 -0.233 0.000 2.721 716 R HA 0.345 4.686 4.340 0.002 0.000 0.272 716 R C -2.620 173.493 176.300 -0.312 0.000 1.721 716 R CA -1.357 54.569 56.100 -0.289 0.000 1.325 716 R CB 2.042 32.044 30.300 -0.496 0.000 1.271 716 R HN 0.187 nan 8.270 nan 0.000 0.556 717 P HA 0.371 nan 4.420 nan 0.000 0.306 717 P C -0.408 176.842 177.300 -0.084 0.000 1.309 717 P CA -0.572 62.389 63.100 -0.232 0.000 0.759 717 P CB 1.107 32.936 31.700 0.215 0.000 1.314 718 A N -1.689 121.246 122.820 0.192 0.000 2.538 718 A HA 0.630 4.951 4.320 0.002 0.000 0.276 718 A C 0.208 177.911 177.584 0.198 0.000 0.908 718 A CA 0.347 52.484 52.037 0.166 0.000 1.042 718 A CB -0.393 18.696 19.000 0.148 0.000 1.218 718 A HN 0.718 nan 8.150 nan 0.000 0.517 719 G N -0.325 108.584 108.800 0.183 0.000 2.579 719 G HA2 0.437 4.398 3.960 0.002 0.000 0.292 719 G HA3 0.437 4.398 3.960 0.002 0.000 0.292 719 G C -1.412 173.326 174.900 -0.270 0.000 1.484 719 G CA -0.693 44.301 45.100 -0.177 0.000 0.813 719 G HN 0.183 nan 8.290 nan 0.000 0.515 720 N N 0.172 118.697 118.700 -0.290 0.000 2.476 720 N HA 0.216 4.957 4.740 0.002 0.000 0.275 720 N C -0.601 174.887 175.510 -0.036 0.000 1.190 720 N CA -0.786 52.152 53.050 -0.188 0.000 0.977 720 N CB 1.032 39.261 38.487 -0.431 0.000 1.200 720 N HN 0.277 nan 8.380 nan 0.000 0.515 721 N N 1.205 119.982 118.700 0.128 0.000 3.034 721 N HA 0.133 4.874 4.740 0.002 0.000 0.265 721 N C -0.736 174.857 175.510 0.138 0.000 1.166 721 N CA -0.112 53.063 53.050 0.209 0.000 1.081 721 N CB 0.408 39.023 38.487 0.212 0.000 1.378 721 N HN 0.502 nan 8.380 nan 0.000 0.520 722 A N 2.027 124.953 122.820 0.177 0.000 2.498 722 A HA 0.129 4.450 4.320 0.002 0.000 0.239 722 A C 0.744 178.380 177.584 0.088 0.000 1.068 722 A CA -0.174 51.950 52.037 0.146 0.000 0.766 722 A CB 0.252 19.388 19.000 0.227 0.000 1.003 722 A HN 0.425 nan 8.150 nan 0.000 0.497 723 I N 3.547 124.127 120.570 0.016 0.000 2.453 723 I HA 0.027 4.198 4.170 0.002 0.000 0.300 723 I C 0.157 176.186 176.117 -0.145 0.000 1.159 723 I CA 0.305 61.577 61.300 -0.047 0.000 1.379 723 I CB -0.997 36.983 38.000 -0.034 0.000 1.460 723 I HN 0.547 nan 8.210 nan 0.000 0.601 724 L N 6.250 127.414 121.223 -0.098 0.000 2.305 724 L HA 0.654 4.995 4.340 0.002 0.000 0.281 724 L C 0.155 176.869 176.870 -0.259 0.000 1.085 724 L CA 0.120 54.902 54.840 -0.097 0.000 0.813 724 L CB 1.177 43.305 42.059 0.114 0.000 1.157 724 L HN 0.589 nan 8.230 nan 0.000 0.436 725 A N 5.308 127.918 122.820 -0.349 0.000 2.310 725 A HA 0.617 4.938 4.320 0.002 0.000 0.304 725 A C -0.914 176.615 177.584 -0.091 0.000 1.231 725 A CA -0.589 51.180 52.037 -0.447 0.000 0.799 725 A CB 1.060 19.493 19.000 -0.946 0.000 1.162 725 A HN 0.511 nan 8.150 nan 0.000 0.486 726 V N 4.450 124.442 119.914 0.129 0.000 2.338 726 V HA 0.475 4.597 4.120 0.002 0.000 0.255 726 V C 0.187 176.327 176.094 0.075 0.000 1.082 726 V CA 0.445 62.779 62.300 0.058 0.000 0.951 726 V CB -0.609 31.166 31.823 -0.080 0.000 1.102 726 V HN 0.980 nan 8.190 nan 0.000 0.489 727 M N 3.693 123.328 119.600 0.059 0.000 2.578 727 M HA 0.724 5.205 4.480 0.002 0.000 0.276 727 M C -0.540 175.838 176.300 0.130 0.000 1.245 727 M CA -0.449 54.914 55.300 0.104 0.000 0.871 727 M CB 2.518 35.208 32.600 0.150 0.000 1.722 727 M HN 0.301 nan 8.290 nan 0.000 0.473 728 S N 1.382 117.178 115.700 0.159 0.000 2.562 728 S HA 0.851 5.322 4.470 0.002 0.000 0.275 728 S C -0.904 173.867 174.600 0.284 0.000 1.281 728 S CA -0.483 57.835 58.200 0.197 0.000 1.045 728 S CB 0.886 64.193 63.200 0.179 0.000 0.962 728 S HN 0.767 nan 8.310 nan 0.000 0.503 729 F N 1.210 121.200 119.950 0.066 0.000 2.680 729 F HA 0.315 4.843 4.527 0.002 0.000 0.315 729 F C 0.829 176.687 175.800 0.097 0.000 1.099 729 F CA 0.290 58.331 58.000 0.068 0.000 1.033 729 F CB 0.757 39.793 39.000 0.061 0.000 1.285 729 F HN 1.038 nan 8.300 nan 0.000 0.457 730 T N 0.657 115.133 114.554 -0.130 0.000 9.297 730 T HA -0.294 4.057 4.350 0.002 0.000 0.393 730 T C 1.628 176.409 174.700 0.134 0.000 1.628 730 T CA 1.927 64.088 62.100 0.101 0.000 2.547 730 T CB -2.307 66.832 68.868 0.452 0.000 2.891 730 T HN 2.596 nan 8.240 nan 0.000 1.219 731 G N -0.035 108.817 108.800 0.087 0.000 2.168 731 G HA2 -0.380 3.581 3.960 0.002 0.000 0.263 731 G HA3 -0.380 3.581 3.960 0.002 0.000 0.263 731 G C 0.403 175.264 174.900 -0.066 0.000 0.977 731 G CA 0.792 45.878 45.100 -0.024 0.000 0.659 731 G HN 0.785 nan 8.290 nan 0.000 0.533 732 Y N 0.853 121.173 120.300 0.033 0.000 2.523 732 Y HA 0.098 4.649 4.550 0.002 0.000 0.279 732 Y C 2.221 178.125 175.900 0.007 0.000 1.139 732 Y CA 1.155 59.266 58.100 0.018 0.000 1.296 732 Y CB 0.211 38.686 38.460 0.024 0.000 1.045 732 Y HN 0.503 nan 8.280 nan 0.000 0.538 733 N N -0.758 118.033 118.700 0.151 0.000 2.230 733 N HA 0.047 4.788 4.740 0.002 0.000 0.202 733 N C 0.077 175.619 175.510 0.053 0.000 1.119 733 N CA 0.050 53.148 53.050 0.080 0.000 0.851 733 N CB -0.357 38.166 38.487 0.061 0.000 0.990 733 N HN 0.166 nan 8.380 nan 0.000 0.497 734 M N 1.329 120.949 119.600 0.033 0.000 2.252 734 M HA 0.002 4.483 4.480 0.002 0.000 0.333 734 M C -0.207 176.090 176.300 -0.005 0.000 1.111 734 M CA 0.689 55.988 55.300 -0.002 0.000 1.140 734 M CB 0.238 32.804 32.600 -0.056 0.000 1.538 734 M HN 0.091 nan 8.290 nan 0.000 0.448 735 E N 2.121 122.318 120.200 -0.005 0.000 3.783 735 E HA -0.168 4.183 4.350 0.002 0.000 0.154 735 E C -1.048 175.567 176.600 0.024 0.000 1.748 735 E CA 0.388 56.791 56.400 0.005 0.000 0.854 735 E CB -1.740 27.954 29.700 -0.011 0.000 1.075 735 E HN 0.792 nan 8.360 nan 0.000 0.360 736 D N 0.457 120.882 120.400 0.041 0.000 3.783 736 D HA -0.139 4.502 4.640 0.002 0.000 0.188 736 D C -0.111 176.217 176.300 0.047 0.000 1.235 736 D CA 1.847 55.879 54.000 0.054 0.000 0.815 736 D CB -0.231 40.606 40.800 0.063 0.000 0.923 736 D HN 0.388 nan 8.370 nan 0.000 0.462 737 S N 0.391 116.115 115.700 0.040 0.000 2.615 737 S HA 0.747 5.218 4.470 0.002 0.000 0.269 737 S C -1.925 172.676 174.600 0.001 0.000 1.161 737 S CA -1.011 57.204 58.200 0.025 0.000 0.817 737 S CB 1.465 64.680 63.200 0.025 0.000 1.131 737 S HN 0.222 nan 8.310 nan 0.000 0.467 738 I N 2.497 123.043 120.570 -0.041 0.000 2.582 738 I HA 0.641 4.812 4.170 0.002 0.000 0.292 738 I C -1.519 174.511 176.117 -0.145 0.000 1.066 738 I CA -1.038 60.185 61.300 -0.128 0.000 1.053 738 I CB 1.722 39.588 38.000 -0.224 0.000 1.241 738 I HN 0.701 nan 8.210 nan 0.000 0.421 739 I N 8.594 129.072 120.570 -0.154 0.000 2.405 739 I HA 0.382 4.553 4.170 0.002 0.000 0.280 739 I C -1.085 174.904 176.117 -0.214 0.000 1.027 739 I CA -0.553 60.663 61.300 -0.141 0.000 1.161 739 I CB 0.976 38.949 38.000 -0.045 0.000 1.300 739 I HN 0.729 nan 8.210 nan 0.000 0.463 740 M N 7.160 126.605 119.600 -0.259 0.000 2.274 740 M HA 0.248 4.729 4.480 0.002 0.000 0.344 740 M C 0.301 176.495 176.300 -0.176 0.000 1.161 740 M CA -0.241 54.899 55.300 -0.267 0.000 1.126 740 M CB 0.731 33.111 32.600 -0.367 0.000 1.522 740 M HN 0.610 nan 8.290 nan 0.000 0.461 741 N N 2.760 121.378 118.700 -0.137 0.000 2.479 741 N HA 0.012 4.753 4.740 0.002 0.000 0.257 741 N C 0.312 175.780 175.510 -0.069 0.000 1.232 741 N CA 0.380 53.374 53.050 -0.094 0.000 0.920 741 N CB 0.867 39.309 38.487 -0.073 0.000 1.105 741 N HN 0.837 nan 8.380 nan 0.000 0.444 742 R N 1.592 122.060 120.500 -0.054 0.000 2.119 742 R HA 0.088 4.429 4.340 0.002 0.000 0.222 742 R C 1.234 177.521 176.300 -0.023 0.000 1.088 742 R CA 1.147 57.223 56.100 -0.040 0.000 0.984 742 R CB 0.023 30.301 30.300 -0.037 0.000 0.884 742 R HN 0.590 nan 8.270 nan 0.000 0.447 743 S N -0.563 115.125 115.700 -0.021 0.000 2.456 743 S HA 0.070 4.541 4.470 0.002 0.000 0.224 743 S C 1.685 176.275 174.600 -0.015 0.000 1.035 743 S CA 0.462 58.653 58.200 -0.015 0.000 0.940 743 S CB 0.382 63.573 63.200 -0.014 0.000 0.799 743 S HN 0.267 nan 8.310 nan 0.000 0.508 744 S N 1.534 117.224 115.700 -0.017 0.000 2.383 744 S HA -0.091 4.380 4.470 0.002 0.000 0.229 744 S C 1.958 176.559 174.600 0.002 0.000 1.030 744 S CA 1.081 59.272 58.200 -0.015 0.000 1.002 744 S CB -0.327 62.866 63.200 -0.012 0.000 0.829 744 S HN 0.305 nan 8.310 nan 0.000 0.467 745 V N 1.547 121.469 119.914 0.013 0.000 2.307 745 V HA -0.146 3.975 4.120 0.002 0.000 0.245 745 V C 2.122 178.236 176.094 0.034 0.000 1.045 745 V CA 1.622 63.946 62.300 0.039 0.000 1.024 745 V CB -0.542 31.295 31.823 0.024 0.000 0.651 745 V HN 0.495 nan 8.190 nan 0.000 0.449 746 E N -0.505 119.704 120.200 0.014 0.000 2.472 746 E HA -0.127 4.224 4.350 0.002 0.000 0.200 746 E C 2.090 178.696 176.600 0.010 0.000 1.046 746 E CA 0.454 56.864 56.400 0.016 0.000 0.871 746 E CB -0.008 29.696 29.700 0.006 0.000 0.806 746 E HN 0.523 nan 8.360 nan 0.000 0.533 747 R N -1.329 119.167 120.500 -0.007 0.000 2.334 747 R HA 0.138 4.479 4.340 0.002 0.000 0.212 747 R C 1.162 177.423 176.300 -0.066 0.000 0.897 747 R CA 0.519 56.596 56.100 -0.037 0.000 1.056 747 R CB 1.123 31.388 30.300 -0.059 0.000 1.046 747 R HN 0.192 nan 8.270 nan 0.000 0.513 748 G N 0.404 109.198 108.800 -0.011 0.000 2.624 748 G HA2 -0.225 3.737 3.960 0.002 0.000 0.190 748 G HA3 -0.225 3.737 3.960 0.002 0.000 0.190 748 G C 0.138 175.080 174.900 0.070 0.000 1.008 748 G CA -0.457 44.663 45.100 0.034 0.000 0.731 748 G HN 0.173 nan 8.290 nan 0.000 0.478 749 M N 1.272 120.874 119.600 0.004 0.000 2.408 749 M HA 0.349 4.830 4.480 0.002 0.000 0.363 749 M C 1.043 177.433 176.300 0.150 0.000 1.636 749 M CA 0.930 56.220 55.300 -0.017 0.000 1.029 749 M CB -0.365 32.227 32.600 -0.014 0.000 2.068 749 M HN 0.551 nan 8.290 nan 0.000 0.466 750 Y N 0.693 121.077 120.300 0.140 0.000 4.881 750 Y HA -0.331 4.220 4.550 0.002 0.000 0.241 750 Y C 0.361 176.311 175.900 0.083 0.000 0.985 750 Y CA 0.447 58.634 58.100 0.146 0.000 1.976 750 Y CB -1.515 37.118 38.460 0.289 0.000 1.528 750 Y HN 0.625 nan 8.280 nan 0.000 0.581 751 R N 1.524 122.126 120.500 0.169 0.000 2.538 751 R HA 0.253 4.595 4.340 0.002 0.000 0.282 751 R C 0.775 176.865 176.300 -0.349 0.000 1.009 751 R CA 0.708 56.793 56.100 -0.024 0.000 1.063 751 R CB 0.653 31.009 30.300 0.093 0.000 0.945 751 R HN 0.344 nan 8.270 nan 0.000 0.414 752 S N 1.452 116.915 115.700 -0.396 0.000 2.786 752 S HA 0.587 5.058 4.470 0.002 0.000 0.302 752 S C -0.331 173.990 174.600 -0.465 0.000 1.080 752 S CA -0.609 57.376 58.200 -0.359 0.000 0.925 752 S CB 2.115 65.300 63.200 -0.024 0.000 1.325 752 S HN 0.439 nan 8.310 nan 0.000 0.576 753 T N 0.929 115.427 114.554 -0.094 0.000 2.956 753 T HA 0.507 4.858 4.350 0.002 0.000 0.312 753 T C -1.773 172.819 174.700 -0.181 0.000 1.151 753 T CA -0.344 61.687 62.100 -0.116 0.000 1.024 753 T CB 1.059 69.867 68.868 -0.101 0.000 1.140 753 T HN 0.530 nan 8.240 nan 0.000 0.473 754 F N 2.458 122.149 119.950 -0.433 0.000 2.425 754 F HA 0.777 5.305 4.527 0.002 0.000 0.331 754 F C -1.498 173.932 175.800 -0.616 0.000 1.085 754 F CA -1.112 56.627 58.000 -0.434 0.000 1.028 754 F CB 0.818 39.651 39.000 -0.278 0.000 1.177 754 F HN 0.480 nan 8.300 nan 0.000 0.487 755 F N 5.094 124.688 119.950 -0.592 0.000 2.539 755 F HA 0.498 5.026 4.527 0.001 0.000 0.328 755 F C -0.108 175.427 175.800 -0.441 0.000 1.148 755 F CA -0.713 57.117 58.000 -0.284 0.000 0.940 755 F CB 1.569 40.473 39.000 -0.160 0.000 1.194 755 F HN 0.379 nan 8.300 nan 0.000 0.438 756 R N 2.713 123.254 120.500 0.069 0.000 2.782 756 R HA 0.802 5.143 4.340 0.002 0.000 0.258 756 R C -1.778 174.550 176.300 0.045 0.000 1.055 756 R CA -0.811 55.311 56.100 0.037 0.000 1.065 756 R CB 1.646 32.035 30.300 0.148 0.000 1.172 756 R HN 0.801 nan 8.270 nan 0.000 0.510 757 L N 2.968 124.131 121.223 -0.101 0.000 2.409 757 L HA 0.502 4.843 4.340 0.002 0.000 0.272 757 L C -1.703 175.086 176.870 -0.135 0.000 0.980 757 L CA -0.778 54.054 54.840 -0.015 0.000 0.826 757 L CB 1.399 43.452 42.059 -0.010 0.000 1.268 757 L HN 0.695 nan 8.230 nan 0.000 0.407 758 Y N 2.155 122.484 120.300 0.048 0.000 2.549 758 Y HA 0.790 5.341 4.550 0.002 0.000 0.339 758 Y C 0.212 176.133 175.900 0.035 0.000 1.053 758 Y CA -0.629 57.496 58.100 0.042 0.000 1.105 758 Y CB 2.291 40.776 38.460 0.041 0.000 1.258 758 Y HN 0.584 nan 8.280 nan 0.000 0.478 759 S N -0.497 115.321 115.700 0.197 0.000 2.735 759 S HA 0.621 5.092 4.470 0.002 0.000 0.276 759 S C -1.207 173.445 174.600 0.088 0.000 0.957 759 S CA -0.577 57.695 58.200 0.120 0.000 0.933 759 S CB 0.712 63.967 63.200 0.092 0.000 1.182 759 S HN 1.188 nan 8.310 nan 0.000 0.459 760 T N -0.635 113.961 114.554 0.069 0.000 2.762 760 T HA 0.799 5.150 4.350 0.002 0.000 0.301 760 T C -1.050 173.678 174.700 0.046 0.000 1.299 760 T CA -0.970 61.163 62.100 0.055 0.000 1.005 760 T CB 1.514 70.415 68.868 0.055 0.000 1.377 760 T HN 0.853 nan 8.240 nan 0.000 0.504 761 E N -0.025 120.200 120.200 0.041 0.000 2.405 761 E HA 0.487 4.838 4.350 0.002 0.000 0.249 761 E C 0.720 177.341 176.600 0.036 0.000 1.028 761 E CA -0.871 55.550 56.400 0.036 0.000 0.897 761 E CB 1.650 31.369 29.700 0.033 0.000 1.262 761 E HN 0.796 nan 8.360 nan 0.000 0.442 762 E N -0.102 120.118 120.200 0.033 0.000 2.099 762 E HA 0.027 4.378 4.350 0.002 0.000 0.191 762 E C 0.089 176.713 176.600 0.040 0.000 0.962 762 E CA 0.076 56.495 56.400 0.033 0.000 0.826 762 E CB 0.479 30.195 29.700 0.027 0.000 0.788 762 E HN 0.106 nan 8.360 nan 0.000 0.461 763 V N 2.933 122.871 119.914 0.039 0.000 2.442 763 V HA -0.104 4.017 4.120 0.002 0.000 0.272 763 V C 0.477 176.609 176.094 0.064 0.000 0.989 763 V CA 1.223 63.552 62.300 0.048 0.000 1.123 763 V CB 0.149 31.994 31.823 0.037 0.000 1.008 763 V HN 0.209 nan 8.190 nan 0.000 0.469 764 K N 4.115 124.570 120.400 0.093 0.000 2.399 764 K HA 0.313 4.634 4.320 0.002 0.000 0.204 764 K C -0.690 176.067 176.600 0.261 0.000 1.023 764 K CA -0.030 56.334 56.287 0.128 0.000 1.127 764 K CB 0.548 33.107 32.500 0.099 0.000 0.856 764 K HN 0.601 nan 8.250 nan 0.000 0.514 765 Y N 0.281 120.585 120.300 0.007 0.000 2.620 765 Y HA 0.205 4.755 4.550 0.000 0.000 0.331 765 Y C -2.700 173.201 175.900 0.003 0.000 1.173 765 Y CA -2.510 55.593 58.100 0.005 0.000 1.076 765 Y CB 1.549 40.011 38.460 0.004 0.000 1.336 765 Y HN -0.121 nan 8.280 nan 0.000 0.459 766 P HA 0.421 nan 4.420 nan 0.000 0.278 766 P C 0.499 177.768 177.300 -0.052 0.000 1.266 766 P CA 0.951 63.951 63.100 -0.167 0.000 0.807 766 P CB 1.465 32.998 31.700 -0.279 0.000 1.094 767 G N 0.539 109.323 108.800 -0.026 0.000 5.059 767 G HA2 -0.209 3.752 3.960 0.002 0.000 0.336 767 G HA3 -0.209 3.752 3.960 0.002 0.000 0.336 767 G C 0.437 175.362 174.900 0.041 0.000 1.364 767 G CA 0.415 45.520 45.100 0.007 0.000 1.020 767 G HN 0.944 nan 8.290 nan 0.000 0.807 768 G N -2.446 106.402 108.800 0.081 0.000 2.735 768 G HA2 0.712 4.673 3.960 0.002 0.000 0.301 768 G HA3 0.712 4.673 3.960 0.002 0.000 0.301 768 G C 0.071 175.051 174.900 0.134 0.000 1.279 768 G CA 1.130 46.281 45.100 0.086 0.000 1.019 768 G HN 1.362 nan 8.290 nan 0.000 0.497 769 Q N -1.210 118.642 119.800 0.087 0.000 1.272 769 Q HA -0.212 4.129 4.340 0.002 0.000 0.289 769 Q C -0.164 175.884 176.000 0.079 0.000 0.967 769 Q CA 1.258 57.103 55.803 0.071 0.000 0.840 769 Q CB -1.030 27.742 28.738 0.056 0.000 3.542 769 Q HN 1.121 nan 8.270 nan 0.000 0.481 770 E N 1.550 121.814 120.200 0.107 0.000 7.527 770 E HA -0.146 4.206 4.350 0.002 0.000 0.389 770 E C -1.941 174.686 176.600 0.045 0.000 0.568 770 E CA 0.948 57.402 56.400 0.090 0.000 1.067 770 E CB -0.359 29.386 29.700 0.074 0.000 0.942 770 E HN 0.437 nan 8.360 nan 0.000 0.262 771 D N 2.935 123.358 120.400 0.038 0.000 2.654 771 D HA 0.665 5.306 4.640 0.002 0.000 0.255 771 D C -0.041 176.272 176.300 0.021 0.000 1.101 771 D CA -0.361 53.650 54.000 0.018 0.000 1.116 771 D CB 0.949 41.750 40.800 0.002 0.000 1.348 771 D HN 0.392 nan 8.370 nan 0.000 0.609 772 K N -0.458 119.949 120.400 0.012 0.000 2.263 772 K HA 0.637 4.958 4.320 0.002 0.000 0.249 772 K C -0.598 176.004 176.600 0.004 0.000 1.076 772 K CA -0.763 55.530 56.287 0.010 0.000 0.884 772 K CB 1.785 34.288 32.500 0.006 0.000 1.394 772 K HN 0.200 nan 8.250 nan 0.000 0.476 773 I N 2.325 122.896 120.570 0.001 0.000 2.578 773 I HA 0.237 4.408 4.170 0.002 0.000 0.284 773 I C -1.209 174.898 176.117 -0.016 0.000 1.156 773 I CA -0.562 60.736 61.300 -0.004 0.000 1.165 773 I CB 0.787 38.790 38.000 0.005 0.000 1.567 773 I HN 0.051 nan 8.210 nan 0.000 0.546 774 V N 3.958 123.854 119.914 -0.030 0.000 2.760 774 V HA 0.292 4.413 4.120 0.002 0.000 0.309 774 V C 0.271 176.315 176.094 -0.083 0.000 1.077 774 V CA -0.889 61.384 62.300 -0.045 0.000 0.910 774 V CB 2.305 34.106 31.823 -0.036 0.000 1.008 774 V HN 0.622 nan 8.190 nan 0.000 0.424 775 M N 7.255 126.791 119.600 -0.107 0.000 2.508 775 M HA 0.010 4.492 4.480 0.002 0.000 0.447 775 M C -1.985 174.155 176.300 -0.267 0.000 1.654 775 M CA -0.096 55.083 55.300 -0.201 0.000 0.944 775 M CB 0.226 32.724 32.600 -0.170 0.000 2.088 775 M HN 0.499 nan 8.290 nan 0.000 0.506 776 P HA 0.347 nan 4.420 nan 0.000 0.276 776 P C -1.166 175.843 177.300 -0.484 0.000 1.261 776 P CA -0.132 62.779 63.100 -0.315 0.000 0.800 776 P CB 1.123 32.697 31.700 -0.210 0.000 1.066 777 E N -0.729 119.219 120.200 -0.419 0.000 2.490 777 E HA 0.650 5.001 4.350 0.002 0.000 0.176 777 E C -0.957 175.200 176.600 -0.738 0.000 0.781 777 E CA -1.011 55.149 56.400 -0.400 0.000 0.911 777 E CB 0.552 30.122 29.700 -0.216 0.000 2.014 777 E HN 0.421 nan 8.360 nan 0.000 0.388 778 A N 0.217 122.767 122.820 -0.451 0.000 2.253 778 A HA 0.639 4.960 4.320 0.002 0.000 0.316 778 A C 0.181 177.731 177.584 -0.057 0.000 1.327 778 A CA 0.379 52.206 52.037 -0.350 0.000 0.917 778 A CB 0.292 19.255 19.000 -0.062 0.000 1.162 778 A HN 0.609 nan 8.150 nan 0.000 0.535 779 G N 0.319 109.203 108.800 0.141 0.000 2.645 779 G HA2 0.327 4.288 3.960 0.002 0.000 0.208 779 G HA3 0.327 4.288 3.960 0.002 0.000 0.208 779 G C 0.326 175.313 174.900 0.145 0.000 1.264 779 G CA 0.881 46.050 45.100 0.116 0.000 0.586 779 G HN 1.015 nan 8.290 nan 0.000 0.952 780 V N -0.719 119.315 119.914 0.200 0.000 3.432 780 V HA 0.473 4.594 4.120 0.002 0.000 0.290 780 V C 0.653 176.760 176.094 0.021 0.000 1.591 780 V CA 0.091 62.443 62.300 0.088 0.000 1.069 780 V CB 0.867 32.717 31.823 0.045 0.000 0.892 780 V HN 0.309 nan 8.190 nan 0.000 0.436 781 R N 0.760 121.232 120.500 -0.046 0.000 2.898 781 R HA 0.576 4.917 4.340 0.002 0.000 0.092 781 R C -0.802 175.117 176.300 -0.635 0.000 0.570 781 R CA 0.611 56.553 56.100 -0.264 0.000 0.381 781 R CB 0.941 31.110 30.300 -0.217 0.000 0.320 781 R HN 0.340 nan 8.270 nan 0.000 0.321 782 G N 0.318 108.576 108.800 -0.903 0.000 2.740 782 G HA2 0.611 4.572 3.960 0.002 0.000 0.296 782 G HA3 0.611 4.572 3.960 0.002 0.000 0.296 782 G C -1.640 172.840 174.900 -0.699 0.000 1.439 782 G CA -0.382 44.242 45.100 -0.793 0.000 1.066 782 G HN 0.342 nan 8.290 nan 0.000 0.527 783 Y N 0.849 121.177 120.300 0.047 0.000 3.326 783 Y HA 0.776 5.326 4.550 -0.000 0.000 0.306 783 Y C 0.438 176.388 175.900 0.084 0.000 1.652 783 Y CA -0.860 57.280 58.100 0.067 0.000 0.810 783 Y CB 1.402 39.915 38.460 0.089 0.000 1.269 783 Y HN 0.314 nan 8.280 nan 0.000 0.744 784 K N 0.266 120.868 120.400 0.337 0.000 2.690 784 K HA 0.442 4.763 4.320 0.002 0.000 0.305 784 K C -0.870 175.918 176.600 0.315 0.000 1.200 784 K CA 0.116 56.551 56.287 0.246 0.000 1.071 784 K CB 1.281 33.887 32.500 0.175 0.000 1.366 784 K HN 0.935 nan 8.250 nan 0.000 0.513 785 G N 2.630 111.604 108.800 0.291 0.000 2.846 785 G HA2 -0.259 3.702 3.960 0.002 0.000 0.660 785 G HA3 -0.259 3.702 3.960 0.002 0.000 0.660 785 G C -1.089 173.889 174.900 0.130 0.000 1.464 785 G CA -0.630 44.648 45.100 0.296 0.000 0.891 785 G HN 0.396 nan 8.290 nan 0.000 0.552 786 K N 0.278 120.555 120.400 -0.205 0.000 2.502 786 K HA 0.556 4.878 4.320 0.002 0.000 0.257 786 K C -0.002 176.175 176.600 -0.704 0.000 0.938 786 K CA -0.604 55.480 56.287 -0.338 0.000 0.819 786 K CB 2.026 34.440 32.500 -0.143 0.000 1.333 786 K HN 0.653 nan 8.250 nan 0.000 0.434 787 E N 0.352 119.980 120.200 -0.953 0.000 2.440 787 E HA -0.245 4.106 4.350 0.002 0.000 0.246 787 E C -0.362 175.851 176.600 -0.646 0.000 1.165 787 E CA 0.756 56.722 56.400 -0.723 0.000 0.726 787 E CB -1.476 28.007 29.700 -0.362 0.000 1.271 787 E HN 0.540 nan 8.360 nan 0.000 0.397 788 Y N -1.509 118.389 120.300 -0.669 0.000 2.269 788 Y HA -0.060 4.490 4.550 0.001 0.000 0.294 788 Y C 1.875 177.650 175.900 -0.209 0.000 1.120 788 Y CA 1.334 59.240 58.100 -0.323 0.000 1.159 788 Y CB -0.497 37.843 38.460 -0.201 0.000 1.024 788 Y HN 0.374 nan 8.280 nan 0.000 0.532 789 Y N 0.003 120.390 120.300 0.146 0.000 2.029 789 Y HA -0.437 4.117 4.550 0.006 0.000 0.269 789 Y C 2.563 178.486 175.900 0.039 0.000 1.201 789 Y CA 1.172 59.314 58.100 0.070 0.000 1.115 789 Y CB -1.012 37.468 38.460 0.033 0.000 0.945 789 Y HN -0.016 nan 8.280 nan 0.000 0.497 790 R N 0.867 121.453 120.500 0.144 0.000 2.445 790 R HA -0.331 4.010 4.340 0.002 0.000 0.174 790 R C 1.502 177.843 176.300 0.068 0.000 0.832 790 R CA 2.834 58.980 56.100 0.076 0.000 0.288 790 R CB -1.631 28.683 30.300 0.024 0.000 0.642 790 R HN 0.550 nan 8.270 nan 0.000 0.242 791 L N 0.656 121.914 121.223 0.058 0.000 2.191 791 L HA 0.006 4.347 4.340 0.002 0.000 0.212 791 L C 0.926 177.819 176.870 0.039 0.000 1.103 791 L CA 0.561 55.424 54.840 0.038 0.000 0.769 791 L CB -0.682 41.392 42.059 0.025 0.000 0.908 791 L HN 0.131 nan 8.230 nan 0.000 0.438 792 L N 0.516 121.775 121.223 0.060 0.000 2.455 792 L HA 0.045 4.386 4.340 0.002 0.000 0.272 792 L C 0.753 177.646 176.870 0.038 0.000 1.174 792 L CA -0.227 54.641 54.840 0.047 0.000 0.869 792 L CB 0.198 42.294 42.059 0.061 0.000 1.130 792 L HN 0.076 nan 8.230 nan 0.000 0.474 793 E N 1.539 121.751 120.200 0.021 0.000 4.616 793 E HA -0.037 4.314 4.350 0.002 0.000 0.487 793 E C 1.064 177.669 176.600 0.008 0.000 1.290 793 E CA 0.074 56.484 56.400 0.015 0.000 3.081 793 E CB 0.292 29.997 29.700 0.010 0.000 1.792 793 E HN 0.643 nan 8.360 nan 0.000 0.672 794 D N 0.332 120.733 120.400 0.002 0.000 2.117 794 D HA -0.168 4.473 4.640 0.002 0.000 0.198 794 D C 1.083 177.375 176.300 -0.014 0.000 0.982 794 D CA 1.099 55.095 54.000 -0.006 0.000 0.828 794 D CB -0.781 40.016 40.800 -0.005 0.000 0.967 794 D HN 0.333 nan 8.370 nan 0.000 0.464 795 N N 0.667 119.362 118.700 -0.009 0.000 2.573 795 N HA -0.012 4.730 4.740 0.002 0.000 0.187 795 N C 1.541 177.041 175.510 -0.015 0.000 1.107 795 N CA 1.115 54.159 53.050 -0.010 0.000 0.918 795 N CB -0.564 37.920 38.487 -0.004 0.000 0.966 795 N HN 0.394 nan 8.380 nan 0.000 0.448 796 G N -1.460 107.329 108.800 -0.017 0.000 2.132 796 G HA2 -0.181 3.780 3.960 0.002 0.000 0.228 796 G HA3 -0.181 3.780 3.960 0.002 0.000 0.228 796 G C -0.582 174.314 174.900 -0.006 0.000 1.000 796 G CA 0.240 45.326 45.100 -0.024 0.000 0.693 796 G HN 0.368 nan 8.290 nan 0.000 0.515 797 V N -0.020 119.896 119.914 0.003 0.000 3.007 797 V HA 0.760 4.882 4.120 0.002 0.000 0.311 797 V C 1.088 177.187 176.094 0.008 0.000 1.120 797 V CA -0.562 61.741 62.300 0.005 0.000 0.980 797 V CB 1.950 33.777 31.823 0.007 0.000 1.033 797 V HN 1.010 nan 8.190 nan 0.000 0.429 798 V N 0.850 120.766 119.914 0.004 0.000 3.611 798 V HA 0.808 4.929 4.120 0.002 0.000 0.296 798 V C 0.279 176.378 176.094 0.008 0.000 1.091 798 V CA 0.013 62.316 62.300 0.004 0.000 1.103 798 V CB 1.225 33.043 31.823 -0.008 0.000 1.157 798 V HN 1.232 nan 8.190 nan 0.000 0.471 799 S N -0.643 115.062 115.700 0.009 0.000 2.572 799 S HA 0.665 5.136 4.470 0.002 0.000 0.274 799 S C -2.458 172.149 174.600 0.012 0.000 1.150 799 S CA -1.095 57.111 58.200 0.011 0.000 0.944 799 S CB 1.447 64.652 63.200 0.009 0.000 1.071 799 S HN 0.788 nan 8.310 nan 0.000 0.479 800 P HA -0.240 nan 4.420 nan 0.000 0.299 800 P C 0.185 177.497 177.300 0.019 0.000 1.965 800 P CA 0.683 63.795 63.100 0.019 0.000 1.761 800 P CB 0.012 31.720 31.700 0.014 0.000 0.248 801 E N -1.433 118.779 120.200 0.020 0.000 2.782 801 E HA -0.150 4.202 4.350 0.002 0.000 0.181 801 E C -0.382 176.227 176.600 0.015 0.000 1.049 801 E CA 0.793 57.205 56.400 0.019 0.000 0.864 801 E CB -1.302 28.407 29.700 0.015 0.000 1.080 801 E HN 0.066 nan 8.360 nan 0.000 0.476 802 V N 1.901 121.823 119.914 0.014 0.000 2.311 802 V HA 0.034 4.155 4.120 0.002 0.000 0.275 802 V C 0.588 176.685 176.094 0.006 0.000 1.022 802 V CA -0.525 61.780 62.300 0.009 0.000 0.830 802 V CB 1.136 32.964 31.823 0.007 0.000 1.012 802 V HN 0.153 nan 8.190 nan 0.000 0.452 803 E N 3.727 123.930 120.200 0.006 0.000 2.463 803 E HA 0.108 4.459 4.350 0.002 0.000 0.248 803 E C -0.487 176.111 176.600 -0.004 0.000 1.106 803 E CA 0.050 56.452 56.400 0.003 0.000 0.946 803 E CB 0.961 30.663 29.700 0.004 0.000 0.971 803 E HN 0.370 nan 8.360 nan 0.000 0.478 804 V N 3.824 123.732 119.914 -0.010 0.000 2.667 804 V HA 0.362 4.483 4.120 0.002 0.000 0.308 804 V C -0.008 176.070 176.094 -0.027 0.000 1.048 804 V CA -0.466 61.819 62.300 -0.024 0.000 0.928 804 V CB 2.024 33.819 31.823 -0.046 0.000 1.004 804 V HN 0.590 nan 8.190 nan 0.000 0.444 805 K N 1.005 121.383 120.400 -0.035 0.000 2.318 805 K HA 0.756 5.077 4.320 0.002 0.000 0.265 805 K C 0.686 177.249 176.600 -0.062 0.000 1.055 805 K CA 0.080 56.342 56.287 -0.043 0.000 0.896 805 K CB 0.973 33.452 32.500 -0.035 0.000 1.479 805 K HN 0.851 nan 8.250 nan 0.000 0.449 806 G N 0.343 109.096 108.800 -0.079 0.000 2.606 806 G HA2 -0.342 3.620 3.960 0.002 0.000 0.497 806 G HA3 -0.342 3.620 3.960 0.002 0.000 0.497 806 G C 0.685 175.522 174.900 -0.104 0.000 1.309 806 G CA 0.760 45.796 45.100 -0.107 0.000 0.936 806 G HN 0.775 nan 8.290 nan 0.000 0.550 807 G N 0.127 108.856 108.800 -0.119 0.000 3.474 807 G HA2 0.414 4.375 3.960 0.002 0.000 0.269 807 G HA3 0.414 4.375 3.960 0.002 0.000 0.269 807 G C 0.024 174.742 174.900 -0.303 0.000 1.339 807 G CA 0.680 45.669 45.100 -0.184 0.000 1.258 807 G HN 0.575 nan 8.290 nan 0.000 0.560 808 D N -0.131 120.156 120.400 -0.189 0.000 2.378 808 D HA 0.186 4.827 4.640 0.002 0.000 0.238 808 D C 0.447 176.661 176.300 -0.144 0.000 1.180 808 D CA 0.087 54.001 54.000 -0.145 0.000 0.895 808 D CB 1.604 42.359 40.800 -0.076 0.000 1.192 808 D HN -0.062 nan 8.370 nan 0.000 0.438 809 V N 3.074 122.955 119.914 -0.056 0.000 2.385 809 V HA 0.080 4.201 4.120 0.002 0.000 0.269 809 V C 1.306 177.375 176.094 -0.041 0.000 1.043 809 V CA -0.268 62.023 62.300 -0.015 0.000 0.906 809 V CB 0.884 32.781 31.823 0.123 0.000 0.995 809 V HN 0.458 nan 8.190 nan 0.000 0.467 810 L N 4.651 125.810 121.223 -0.107 0.000 2.102 810 L HA 0.306 4.647 4.340 0.002 0.000 0.202 810 L C 0.453 177.291 176.870 -0.053 0.000 1.076 810 L CA 1.350 56.113 54.840 -0.127 0.000 0.761 810 L CB 0.168 42.051 42.059 -0.293 0.000 0.921 810 L HN 0.444 nan 8.230 nan 0.000 0.444 811 I N -0.788 119.763 120.570 -0.031 0.000 2.582 811 I HA 0.356 4.527 4.170 0.002 0.000 0.292 811 I C -0.091 176.031 176.117 0.008 0.000 1.066 811 I CA -0.455 60.844 61.300 -0.001 0.000 1.053 811 I CB 2.109 40.118 38.000 0.015 0.000 1.241 811 I HN -0.108 nan 8.210 nan 0.000 0.421 812 G N 5.452 114.251 108.800 -0.002 0.000 2.415 812 G HA2 0.575 4.536 3.960 0.002 0.000 0.317 812 G HA3 0.575 4.536 3.960 0.002 0.000 0.317 812 G C -0.645 174.241 174.900 -0.024 0.000 1.152 812 G CA -0.322 44.764 45.100 -0.024 0.000 0.956 812 G HN 0.524 nan 8.290 nan 0.000 0.458 813 K N 0.635 121.032 120.400 -0.005 0.000 2.296 813 K HA 0.843 5.164 4.320 0.002 0.000 0.243 813 K C -1.123 175.482 176.600 0.008 0.000 1.082 813 K CA -0.946 55.343 56.287 0.004 0.000 0.929 813 K CB 2.632 35.146 32.500 0.023 0.000 1.353 813 K HN 0.268 nan 8.250 nan 0.000 0.536 814 V N 0.884 120.809 119.914 0.019 0.000 2.971 814 V HA 0.141 4.262 4.120 0.002 0.000 0.281 814 V C -1.554 174.553 176.094 0.023 0.000 1.470 814 V CA -0.783 61.536 62.300 0.031 0.000 0.966 814 V CB 2.077 33.923 31.823 0.040 0.000 1.156 814 V HN 0.959 nan 8.190 nan 0.000 0.441 815 S N 5.412 121.124 115.700 0.020 0.000 2.578 815 S HA 0.884 5.355 4.470 0.002 0.000 0.301 815 S C -3.067 171.508 174.600 -0.042 0.000 1.091 815 S CA -1.693 56.510 58.200 0.004 0.000 1.032 815 S CB 2.587 65.805 63.200 0.030 0.000 1.064 815 S HN 0.550 nan 8.310 nan 0.000 0.508 816 P HA 0.549 nan 4.420 nan 0.000 0.294 816 P C -2.761 174.346 177.300 -0.323 0.000 1.294 816 P CA -1.698 61.291 63.100 -0.184 0.000 0.827 816 P CB 0.830 32.409 31.700 -0.202 0.000 0.992 817 P HA 0.619 nan 4.420 nan 0.000 0.310 817 P C -0.575 176.557 177.300 -0.279 0.000 1.309 817 P CA -0.551 62.409 63.100 -0.234 0.000 0.769 817 P CB 1.397 33.028 31.700 -0.115 0.000 1.327 832 K N 0.563 120.937 120.400 -0.042 0.000 2.652 832 K HA 0.381 4.702 4.320 0.002 0.000 0.249 832 K C -0.704 175.871 176.600 -0.042 0.000 0.986 832 K CA -0.459 55.825 56.287 -0.004 0.000 0.867 832 K CB 2.441 35.002 32.500 0.101 0.000 1.201 832 K HN 0.365 nan 8.250 nan 0.000 0.450 833 R N 1.460 121.943 120.500 -0.027 0.000 2.500 833 R HA 0.089 4.430 4.340 0.002 0.000 0.277 833 R C 0.437 176.765 176.300 0.046 0.000 1.026 833 R CA -0.255 55.834 56.100 -0.018 0.000 1.058 833 R CB 0.934 31.223 30.300 -0.018 0.000 1.078 833 R HN 0.568 nan 8.270 nan 0.000 0.509 834 D N 0.838 121.282 120.400 0.073 0.000 2.103 834 D HA -0.088 4.553 4.640 0.002 0.000 0.199 834 D C 0.377 176.724 176.300 0.078 0.000 0.978 834 D CA 2.196 56.267 54.000 0.117 0.000 0.829 834 D CB 0.334 41.227 40.800 0.156 0.000 0.981 834 D HN 0.822 nan 8.370 nan 0.000 0.464 835 T N -1.106 113.486 114.554 0.062 0.000 11.701 835 T HA -0.303 4.048 4.350 0.002 0.000 0.417 835 T C 0.651 175.383 174.700 0.054 0.000 1.459 835 T CA 1.623 63.755 62.100 0.054 0.000 2.421 835 T CB -1.935 66.962 68.868 0.047 0.000 2.867 835 T HN 0.423 nan 8.240 nan 0.000 0.931 836 S N 3.229 118.961 115.700 0.052 0.000 2.599 836 S HA 0.261 4.732 4.470 0.002 0.000 0.303 836 S C 0.316 174.943 174.600 0.045 0.000 1.267 836 S CA -0.627 57.599 58.200 0.044 0.000 1.055 836 S CB 0.057 63.282 63.200 0.041 0.000 0.790 836 S HN 0.393 nan 8.310 nan 0.000 0.500 837 I N 3.686 124.279 120.570 0.039 0.000 2.421 837 I HA 0.170 4.341 4.170 0.002 0.000 0.291 837 I C 0.473 176.584 176.117 -0.009 0.000 1.089 837 I CA -0.442 60.884 61.300 0.044 0.000 1.354 837 I CB -0.324 37.717 38.000 0.069 0.000 1.413 837 I HN 0.494 nan 8.210 nan 0.000 0.513 838 V N 6.332 126.245 119.914 -0.001 0.000 2.973 838 V HA 0.357 4.478 4.120 0.002 0.000 0.314 838 V C 0.578 176.619 176.094 -0.088 0.000 1.066 838 V CA -0.659 61.605 62.300 -0.060 0.000 1.021 838 V CB 1.979 33.774 31.823 -0.047 0.000 1.076 838 V HN 0.777 nan 8.190 nan 0.000 0.462 839 T N 3.343 117.807 114.554 -0.149 0.000 2.832 839 T HA 0.290 4.642 4.350 0.002 0.000 0.296 839 T C 0.306 175.046 174.700 0.067 0.000 0.968 839 T CA -0.549 61.474 62.100 -0.128 0.000 1.107 839 T CB 0.183 68.948 68.868 -0.171 0.000 0.916 839 T HN 0.453 nan 8.240 nan 0.000 0.517 840 R N 1.587 122.234 120.500 0.246 0.000 2.587 840 R HA -0.099 4.242 4.340 0.002 0.000 0.268 840 R C 1.471 177.819 176.300 0.080 0.000 0.978 840 R CA 0.178 56.382 56.100 0.173 0.000 1.097 840 R CB 0.098 30.494 30.300 0.160 0.000 0.917 840 R HN 0.839 nan 8.270 nan 0.000 0.414 841 H N 1.863 120.934 119.070 0.002 0.000 2.426 841 H HA -0.125 4.432 4.556 0.002 0.000 0.298 841 H C 1.622 176.923 175.328 -0.044 0.000 1.107 841 H CA 2.311 58.341 56.048 -0.030 0.000 1.298 841 H CB 0.133 29.871 29.762 -0.039 0.000 1.377 841 H HN 0.768 nan 8.280 nan 0.000 0.519 842 G N -1.122 107.526 108.800 -0.253 0.000 2.939 842 G HA2 0.059 4.021 3.960 0.002 0.000 0.216 842 G HA3 0.059 4.021 3.960 0.002 0.000 0.216 842 G C 0.228 175.019 174.900 -0.181 0.000 1.125 842 G CA -0.268 44.652 45.100 -0.299 0.000 0.766 842 G HN 0.384 nan 8.290 nan 0.000 0.541 843 E N 0.173 120.308 120.200 -0.109 0.000 2.392 843 E HA 0.551 4.902 4.350 0.002 0.000 0.259 843 E C 0.319 176.885 176.600 -0.057 0.000 1.108 843 E CA -0.087 56.273 56.400 -0.067 0.000 0.916 843 E CB 0.910 30.620 29.700 0.016 0.000 0.989 843 E HN 0.428 nan 8.360 nan 0.000 0.432 844 M N -0.518 119.057 119.600 -0.042 0.000 2.716 844 M HA 0.825 5.306 4.480 0.002 0.000 0.278 844 M C -0.647 175.650 176.300 -0.005 0.000 1.281 844 M CA -0.372 54.911 55.300 -0.029 0.000 0.814 844 M CB 2.386 34.962 32.600 -0.040 0.000 1.719 844 M HN 0.544 nan 8.290 nan 0.000 0.457 845 G N 1.014 109.814 108.800 -0.001 0.000 2.326 845 G HA2 0.281 4.242 3.960 0.002 0.000 0.413 845 G HA3 0.281 4.242 3.960 0.002 0.000 0.413 845 G C -1.982 172.928 174.900 0.016 0.000 1.444 845 G CA -1.123 43.983 45.100 0.011 0.000 1.002 845 G HN 0.884 nan 8.290 nan 0.000 0.649 846 I N 0.725 121.306 120.570 0.018 0.000 2.471 846 I HA 0.234 4.405 4.170 0.002 0.000 0.286 846 I C 1.168 177.308 176.117 0.038 0.000 1.079 846 I CA -0.086 61.228 61.300 0.023 0.000 1.398 846 I CB 1.455 39.470 38.000 0.024 0.000 1.403 846 I HN 0.364 nan 8.210 nan 0.000 0.530 847 V N 7.431 127.364 119.914 0.031 0.000 2.475 847 V HA -0.091 4.030 4.120 0.002 0.000 0.292 847 V C 0.890 177.019 176.094 0.058 0.000 1.003 847 V CA 0.640 62.964 62.300 0.041 0.000 1.120 847 V CB 0.538 32.372 31.823 0.018 0.000 0.937 847 V HN 0.801 nan 8.190 nan 0.000 0.476 848 D N 3.803 124.257 120.400 0.089 0.000 2.338 848 D HA 0.156 4.797 4.640 0.002 0.000 0.224 848 D C -0.033 176.315 176.300 0.079 0.000 0.967 848 D CA 0.389 54.453 54.000 0.106 0.000 0.896 848 D CB 0.488 41.403 40.800 0.191 0.000 1.028 848 D HN 0.374 nan 8.370 nan 0.000 0.493 849 L N 0.478 121.748 121.223 0.079 0.000 2.513 849 L HA 0.475 4.816 4.340 0.002 0.000 0.261 849 L C -1.709 175.191 176.870 0.051 0.000 0.945 849 L CA -0.734 54.138 54.840 0.053 0.000 0.848 849 L CB 2.109 44.195 42.059 0.045 0.000 1.334 849 L HN -0.201 nan 8.230 nan 0.000 0.407 850 V N 4.361 124.295 119.914 0.033 0.000 2.769 850 V HA 0.743 4.864 4.120 0.002 0.000 0.312 850 V C -0.798 175.310 176.094 0.023 0.000 1.061 850 V CA -0.733 61.586 62.300 0.031 0.000 0.931 850 V CB 1.853 33.690 31.823 0.023 0.000 1.010 850 V HN 0.779 nan 8.190 nan 0.000 0.433 851 L N 4.046 125.284 121.223 0.025 0.000 2.526 851 L HA 0.749 5.090 4.340 0.002 0.000 0.263 851 L C -1.970 174.913 176.870 0.021 0.000 0.943 851 L CA -0.315 54.536 54.840 0.019 0.000 0.859 851 L CB 1.947 44.016 42.059 0.017 0.000 1.313 851 L HN 0.625 nan 8.230 nan 0.000 0.406 852 I N 4.162 124.742 120.570 0.017 0.000 2.436 852 I HA 0.791 4.962 4.170 0.002 0.000 0.289 852 I C -0.060 176.067 176.117 0.016 0.000 1.010 852 I CA 0.159 61.470 61.300 0.017 0.000 1.098 852 I CB 2.056 40.065 38.000 0.014 0.000 1.266 852 I HN 0.667 nan 8.210 nan 0.000 0.434 853 T N 2.791 117.356 114.554 0.018 0.000 2.612 853 T HA 0.540 4.891 4.350 0.002 0.000 0.296 853 T C -1.059 173.652 174.700 0.019 0.000 1.148 853 T CA -1.025 61.085 62.100 0.018 0.000 1.077 853 T CB 1.446 70.326 68.868 0.020 0.000 1.591 853 T HN 0.436 nan 8.240 nan 0.000 0.479 854 E N 0.944 121.156 120.200 0.019 0.000 2.288 854 E HA 0.546 4.897 4.350 0.002 0.000 0.268 854 E C -0.855 175.759 176.600 0.023 0.000 0.885 854 E CA -0.915 55.497 56.400 0.020 0.000 0.767 854 E CB 1.690 31.400 29.700 0.016 0.000 1.220 854 E HN 0.624 nan 8.360 nan 0.000 0.427 855 T N 0.245 114.814 114.554 0.025 0.000 2.900 855 T HA 0.130 4.481 4.350 0.002 0.000 0.307 855 T C 1.475 176.189 174.700 0.023 0.000 1.065 855 T CA -0.011 62.105 62.100 0.027 0.000 1.105 855 T CB 1.061 69.945 68.868 0.027 0.000 0.979 855 T HN 0.650 nan 8.240 nan 0.000 0.544 856 A N 1.922 124.757 122.820 0.026 0.000 1.969 856 A HA -0.279 4.042 4.320 0.002 0.000 0.223 856 A C 2.276 179.869 177.584 0.015 0.000 1.218 856 A CA 2.028 54.077 52.037 0.020 0.000 0.667 856 A CB -0.728 18.285 19.000 0.023 0.000 0.826 856 A HN 0.908 nan 8.150 nan 0.000 0.472 857 E N -1.652 118.558 120.200 0.016 0.000 2.070 857 E HA -0.034 4.317 4.350 0.002 0.000 0.197 857 E C 1.543 178.150 176.600 0.012 0.000 1.004 857 E CA 1.377 57.785 56.400 0.013 0.000 0.805 857 E CB -0.724 28.984 29.700 0.014 0.000 0.744 857 E HN 1.281 nan 8.360 nan 0.000 0.451 858 G N 0.760 109.569 108.800 0.014 0.000 2.276 858 G HA2 -0.134 3.828 3.960 0.002 0.000 0.177 858 G HA3 -0.134 3.828 3.960 0.002 0.000 0.177 858 G C -0.236 174.674 174.900 0.015 0.000 1.017 858 G CA -0.337 44.770 45.100 0.013 0.000 0.750 858 G HN 0.088 nan 8.290 nan 0.000 0.506 859 N N 0.588 119.299 118.700 0.018 0.000 2.508 859 N HA 0.399 5.140 4.740 0.002 0.000 0.285 859 N C 0.195 175.717 175.510 0.021 0.000 1.144 859 N CA -0.407 52.656 53.050 0.020 0.000 0.978 859 N CB 0.993 39.494 38.487 0.024 0.000 1.180 859 N HN 0.115 nan 8.380 nan 0.000 0.484 860 K N 1.132 121.544 120.400 0.020 0.000 2.146 860 K HA 0.038 4.359 4.320 0.002 0.000 0.220 860 K C -0.249 176.365 176.600 0.024 0.000 1.227 860 K CA -0.234 56.065 56.287 0.019 0.000 1.185 860 K CB -0.527 31.983 32.500 0.017 0.000 1.333 860 K HN 0.270 nan 8.250 nan 0.000 0.242 861 L N 2.541 123.779 121.223 0.026 0.000 2.477 861 L HA 0.082 4.423 4.340 0.002 0.000 0.272 861 L C -0.772 176.117 176.870 0.031 0.000 1.157 861 L CA 0.335 55.193 54.840 0.030 0.000 0.889 861 L CB 0.622 42.700 42.059 0.031 0.000 1.158 861 L HN 0.059 nan 8.230 nan 0.000 0.473 862 V N 5.722 125.657 119.914 0.036 0.000 2.540 862 V HA 0.526 4.648 4.120 0.002 0.000 0.302 862 V C -0.026 176.099 176.094 0.052 0.000 1.035 862 V CA -0.915 61.408 62.300 0.039 0.000 0.873 862 V CB 1.709 33.552 31.823 0.034 0.000 0.992 862 V HN 0.724 nan 8.190 nan 0.000 0.428 863 K N 2.676 123.109 120.400 0.054 0.000 2.208 863 K HA 0.850 5.171 4.320 0.002 0.000 0.247 863 K C -1.440 175.209 176.600 0.083 0.000 0.953 863 K CA -0.798 55.532 56.287 0.073 0.000 0.837 863 K CB 2.576 35.111 32.500 0.059 0.000 1.131 863 K HN 0.422 nan 8.250 nan 0.000 0.431 864 V N 2.106 122.096 119.914 0.127 0.000 2.588 864 V HA 0.424 4.545 4.120 0.002 0.000 0.304 864 V C -0.439 175.774 176.094 0.199 0.000 1.042 864 V CA -0.946 61.434 62.300 0.134 0.000 0.877 864 V CB 1.742 33.623 31.823 0.097 0.000 0.996 864 V HN 0.704 nan 8.190 nan 0.000 0.425 865 R N 2.890 123.487 120.500 0.162 0.000 2.664 865 R HA 0.833 5.174 4.340 0.002 0.000 0.286 865 R C -1.732 174.696 176.300 0.214 0.000 0.967 865 R CA -0.474 55.744 56.100 0.196 0.000 0.933 865 R CB 2.063 32.457 30.300 0.156 0.000 1.146 865 R HN 0.516 nan 8.270 nan 0.000 0.468 866 V N 4.563 124.630 119.914 0.255 0.000 2.385 866 V HA 0.327 4.448 4.120 0.002 0.000 0.277 866 V C 0.093 176.264 176.094 0.129 0.000 1.012 866 V CA -0.842 61.578 62.300 0.201 0.000 0.832 866 V CB 0.913 32.881 31.823 0.242 0.000 1.028 866 V HN 0.806 nan 8.190 nan 0.000 0.436 867 R N 2.328 122.876 120.500 0.080 0.000 2.678 867 R HA 0.161 4.502 4.340 0.002 0.000 0.264 867 R C -0.464 175.783 176.300 -0.089 0.000 0.995 867 R CA 0.838 56.880 56.100 -0.097 0.000 1.098 867 R CB 0.277 30.586 30.300 0.016 0.000 0.949 867 R HN 0.834 nan 8.270 nan 0.000 0.422 868 D N 3.139 123.437 120.400 -0.171 0.000 2.452 868 D HA 0.115 4.756 4.640 0.002 0.000 0.226 868 D C -1.172 175.100 176.300 -0.046 0.000 1.366 868 D CA -0.408 53.555 54.000 -0.062 0.000 0.986 868 D CB 0.743 41.537 40.800 -0.010 0.000 1.420 868 D HN 0.401 nan 8.370 nan 0.000 0.583 869 L N 3.847 125.075 121.223 0.007 0.000 2.745 869 L HA 0.091 4.432 4.340 0.002 0.000 0.273 869 L C 0.779 177.654 176.870 0.008 0.000 1.156 869 L CA 0.719 55.588 54.840 0.048 0.000 0.982 869 L CB 0.032 42.136 42.059 0.075 0.000 1.295 869 L HN 0.278 nan 8.230 nan 0.000 0.483 870 R N 5.234 125.722 120.500 -0.020 0.000 2.666 870 R HA 0.345 4.686 4.340 0.002 0.000 0.275 870 R C -0.460 175.837 176.300 -0.005 0.000 1.266 870 R CA -0.620 55.473 56.100 -0.012 0.000 1.401 870 R CB 0.250 30.550 30.300 0.001 0.000 1.145 870 R HN 0.516 nan 8.270 nan 0.000 0.581 871 I N 3.152 123.735 120.570 0.021 0.000 2.648 871 I HA 0.072 4.243 4.170 0.002 0.000 0.284 871 I C -1.640 174.516 176.117 0.065 0.000 1.153 871 I CA -1.891 59.438 61.300 0.049 0.000 1.426 871 I CB 0.158 38.190 38.000 0.054 0.000 1.381 871 I HN 0.135 nan 8.210 nan 0.000 0.571 872 P HA 0.020 nan 4.420 nan 0.000 0.258 872 P C -0.334 177.000 177.300 0.056 0.000 1.214 872 P CA 0.207 63.387 63.100 0.133 0.000 0.872 872 P CB -0.003 31.813 31.700 0.192 0.000 0.890 873 T N 3.660 118.244 114.554 0.049 0.000 2.912 873 T HA 0.379 4.730 4.350 0.002 0.000 0.280 873 T C 0.750 175.452 174.700 0.002 0.000 0.989 873 T CA -0.460 61.650 62.100 0.016 0.000 0.995 873 T CB 0.439 69.316 68.868 0.015 0.000 1.077 873 T HN 0.099 nan 8.240 nan 0.000 0.531 874 I N 2.288 122.850 120.570 -0.013 0.000 2.671 874 I HA 0.333 4.504 4.170 0.002 0.000 0.285 874 I C 1.374 177.495 176.117 0.006 0.000 1.148 874 I CA 0.846 62.135 61.300 -0.018 0.000 1.386 874 I CB -0.387 37.602 38.000 -0.018 0.000 1.406 874 I HN 0.953 nan 8.210 nan 0.000 0.540 875 G N 3.351 112.159 108.800 0.014 0.000 2.234 875 G HA2 -0.144 3.817 3.960 0.002 0.000 0.153 875 G HA3 -0.144 3.817 3.960 0.002 0.000 0.153 875 G C -0.369 174.570 174.900 0.064 0.000 1.013 875 G CA -0.714 44.406 45.100 0.033 0.000 0.712 875 G HN 0.510 nan 8.290 nan 0.000 0.491 876 D N 0.836 121.302 120.400 0.111 0.000 2.177 876 D HA 0.416 5.057 4.640 0.002 0.000 0.247 876 D C 0.212 176.704 176.300 0.320 0.000 1.063 876 D CA -0.201 53.924 54.000 0.209 0.000 0.867 876 D CB 1.934 42.935 40.800 0.335 0.000 1.168 876 D HN 0.227 nan 8.370 nan 0.000 0.445 877 K N 1.412 121.939 120.400 0.212 0.000 2.298 877 K HA 0.322 4.643 4.320 0.002 0.000 0.280 877 K C -1.133 175.594 176.600 0.212 0.000 1.032 877 K CA -0.089 56.319 56.287 0.201 0.000 0.958 877 K CB 0.409 32.972 32.500 0.106 0.000 0.978 877 K HN 0.174 nan 8.250 nan 0.000 0.472 878 F N 1.362 121.305 119.950 -0.012 0.000 2.599 878 F HA 0.639 5.167 4.527 0.002 0.000 0.311 878 F C -0.322 175.553 175.800 0.124 0.000 1.076 878 F CA -0.701 57.296 58.000 -0.005 0.000 0.937 878 F CB 2.322 41.241 39.000 -0.134 0.000 1.282 878 F HN 0.555 nan 8.300 nan 0.000 0.460 879 A N 0.968 123.990 122.820 0.336 0.000 2.549 879 A HA 0.738 5.059 4.320 0.002 0.000 0.297 879 A C -0.691 176.929 177.584 0.060 0.000 1.061 879 A CA -0.475 51.715 52.037 0.255 0.000 0.690 879 A CB 1.443 20.524 19.000 0.136 0.000 1.287 879 A HN 0.832 nan 8.150 nan 0.000 0.402 880 S N 0.712 116.305 115.700 -0.178 0.000 2.686 880 S HA 0.491 4.962 4.470 0.002 0.000 0.270 880 S C 0.620 175.168 174.600 -0.087 0.000 1.194 880 S CA -0.419 57.499 58.200 -0.470 0.000 0.990 880 S CB 0.836 63.750 63.200 -0.476 0.000 1.029 880 S HN 0.645 nan 8.310 nan 0.000 0.560 881 R N -0.717 119.787 120.500 0.006 0.000 2.313 881 R HA 0.168 4.510 4.340 0.002 0.000 0.199 881 R C 0.232 176.400 176.300 -0.221 0.000 0.958 881 R CA 0.575 56.620 56.100 -0.091 0.000 1.047 881 R CB -0.202 29.998 30.300 -0.167 0.000 0.955 881 R HN 0.699 nan 8.270 nan 0.000 0.481 882 H N -1.535 117.487 119.070 -0.080 0.000 2.486 882 H HA 0.346 4.903 4.556 0.002 0.000 0.284 882 H C 0.642 175.932 175.328 -0.063 0.000 1.103 882 H CA 0.003 56.007 56.048 -0.074 0.000 1.089 882 H CB 0.927 30.657 29.762 -0.055 0.000 1.603 882 H HN 0.206 nan 8.280 nan 0.000 0.557 883 G N 1.122 109.964 108.800 0.070 0.000 2.204 883 G HA2 -0.291 3.670 3.960 0.002 0.000 0.244 883 G HA3 -0.291 3.670 3.960 0.002 0.000 0.244 883 G C -0.041 174.933 174.900 0.123 0.000 1.062 883 G CA -0.422 44.736 45.100 0.096 0.000 0.798 883 G HN 0.335 nan 8.290 nan 0.000 0.496 884 Q N 0.753 120.624 119.800 0.118 0.000 2.503 884 Q HA 0.458 4.799 4.340 0.002 0.000 0.227 884 Q C 0.844 176.958 176.000 0.190 0.000 1.109 884 Q CA -0.072 55.819 55.803 0.148 0.000 0.922 884 Q CB 0.233 29.072 28.738 0.168 0.000 1.249 884 Q HN 0.528 nan 8.270 nan 0.000 0.530 885 K N 0.696 121.194 120.400 0.164 0.000 2.120 885 K HA 0.748 5.069 4.320 0.002 0.000 0.245 885 K C -0.172 176.508 176.600 0.132 0.000 1.024 885 K CA 0.032 56.406 56.287 0.144 0.000 0.906 885 K CB 0.859 33.420 32.500 0.103 0.000 1.051 885 K HN 0.752 nan 8.250 nan 0.000 0.491 886 G N -0.312 108.556 108.800 0.113 0.000 2.277 886 G HA2 0.031 3.993 3.960 0.002 0.000 0.272 886 G HA3 0.031 3.993 3.960 0.002 0.000 0.272 886 G C -1.575 173.374 174.900 0.082 0.000 1.692 886 G CA -0.983 44.164 45.100 0.080 0.000 0.926 886 G HN 0.335 nan 8.290 nan 0.000 0.720 887 V N 3.332 123.278 119.914 0.053 0.000 2.607 887 V HA 0.340 4.461 4.120 0.002 0.000 0.289 887 V C 1.341 177.429 176.094 -0.009 0.000 1.053 887 V CA -0.595 61.737 62.300 0.054 0.000 0.996 887 V CB 1.390 33.239 31.823 0.043 0.000 0.995 887 V HN 0.632 nan 8.190 nan 0.000 0.476 888 I N 5.495 126.027 120.570 -0.063 0.000 2.948 888 I HA -0.068 4.103 4.170 0.002 0.000 0.284 888 I C 1.694 177.773 176.117 -0.063 0.000 1.181 888 I CA 0.802 62.009 61.300 -0.156 0.000 1.372 888 I CB -0.201 37.648 38.000 -0.253 0.000 1.443 888 I HN 0.844 nan 8.210 nan 0.000 0.554 889 G N 6.290 115.072 108.800 -0.031 0.000 2.414 889 G HA2 -0.065 3.896 3.960 0.002 0.000 0.215 889 G HA3 -0.065 3.896 3.960 0.002 0.000 0.215 889 G C 0.406 175.339 174.900 0.056 0.000 1.188 889 G CA 0.397 45.534 45.100 0.062 0.000 0.783 889 G HN 0.505 nan 8.290 nan 0.000 0.537 890 M N -0.870 118.698 119.600 -0.053 0.000 2.421 890 M HA 0.635 5.117 4.480 0.002 0.000 0.287 890 M C -2.165 174.026 176.300 -0.180 0.000 1.183 890 M CA -0.827 54.350 55.300 -0.205 0.000 0.916 890 M CB 2.290 34.537 32.600 -0.588 0.000 1.701 890 M HN -0.090 nan 8.290 nan 0.000 0.470 891 L N 5.552 126.675 121.223 -0.166 0.000 2.259 891 L HA 0.567 4.909 4.340 0.002 0.000 0.288 891 L C -1.268 175.533 176.870 -0.116 0.000 1.051 891 L CA 0.215 54.977 54.840 -0.130 0.000 0.824 891 L CB 0.152 42.153 42.059 -0.097 0.000 1.206 891 L HN 0.641 nan 8.230 nan 0.000 0.429 892 I N 7.126 127.635 120.570 -0.102 0.000 2.382 892 I HA 0.352 4.523 4.170 0.002 0.000 0.286 892 I C -2.053 174.039 176.117 -0.041 0.000 1.002 892 I CA -1.938 59.323 61.300 -0.065 0.000 1.135 892 I CB 1.917 39.894 38.000 -0.039 0.000 1.288 892 I HN 0.382 nan 8.210 nan 0.000 0.448 893 P HA 0.001 nan 4.420 nan 0.000 0.272 893 P C 0.193 177.499 177.300 0.011 0.000 1.230 893 P CA -0.189 62.907 63.100 -0.007 0.000 0.788 893 P CB 0.828 32.527 31.700 -0.002 0.000 0.949 894 Q N 0.691 120.496 119.800 0.009 0.000 2.368 894 Q HA -0.116 4.225 4.340 0.002 0.000 0.210 894 Q C 1.461 177.492 176.000 0.050 0.000 0.982 894 Q CA 1.506 57.323 55.803 0.022 0.000 0.884 894 Q CB -0.226 28.514 28.738 0.004 0.000 0.933 894 Q HN 0.360 nan 8.270 nan 0.000 0.460 895 V N -2.723 117.220 119.914 0.049 0.000 2.488 895 V HA -0.133 3.988 4.120 0.002 0.000 0.246 895 V C 0.898 177.079 176.094 0.145 0.000 1.046 895 V CA 1.903 64.248 62.300 0.075 0.000 1.053 895 V CB -0.457 31.395 31.823 0.048 0.000 0.679 895 V HN 0.172 nan 8.190 nan 0.000 0.458 896 D N -0.297 120.180 120.400 0.129 0.000 2.305 896 D HA 0.097 4.739 4.640 0.002 0.000 0.206 896 D C 1.075 177.507 176.300 0.220 0.000 0.974 896 D CA 0.224 54.330 54.000 0.177 0.000 0.871 896 D CB -0.145 40.745 40.800 0.151 0.000 0.947 896 D HN 0.233 nan 8.370 nan 0.000 0.516 897 M N 1.825 121.498 119.600 0.123 0.000 2.252 897 M HA 0.095 4.576 4.480 0.002 0.000 0.329 897 M C -2.260 174.097 176.300 0.096 0.000 1.101 897 M CA -1.358 53.944 55.300 0.003 0.000 1.117 897 M CB -0.145 32.459 32.600 0.006 0.000 1.563 897 M HN -0.134 nan 8.290 nan 0.000 0.445 898 P HA 0.163 nan 4.420 nan 0.000 0.280 898 P C -1.454 175.885 177.300 0.064 0.000 1.300 898 P CA -0.062 63.052 63.100 0.023 0.000 0.785 898 P CB -0.625 31.102 31.700 0.046 0.000 0.874 899 Y N 1.028 121.388 120.300 0.100 0.000 2.334 899 Y HA 0.594 5.145 4.550 0.002 0.000 0.328 899 Y C 0.734 176.628 175.900 -0.010 0.000 1.130 899 Y CA -1.273 56.853 58.100 0.043 0.000 1.163 899 Y CB 0.056 38.542 38.460 0.043 0.000 1.207 899 Y HN 0.291 nan 8.280 nan 0.000 0.471 900 T N -0.529 114.032 114.554 0.011 0.000 2.882 900 T HA 0.092 4.443 4.350 0.002 0.000 0.287 900 T C 1.225 175.996 174.700 0.119 0.000 1.014 900 T CA -0.241 61.820 62.100 -0.065 0.000 1.049 900 T CB 1.461 70.170 68.868 -0.264 0.000 1.001 900 T HN 1.041 nan 8.240 nan 0.000 0.525 901 V N 0.050 120.024 119.914 0.100 0.000 2.495 901 V HA -0.142 3.979 4.120 0.002 0.000 0.260 901 V C 1.159 177.287 176.094 0.057 0.000 1.097 901 V CA 1.935 64.279 62.300 0.074 0.000 1.105 901 V CB -0.669 31.200 31.823 0.076 0.000 0.678 901 V HN 0.897 nan 8.190 nan 0.000 0.469 902 K N -0.711 119.733 120.400 0.073 0.000 2.682 902 K HA 0.385 4.706 4.320 0.002 0.000 0.189 902 K C 0.903 177.528 176.600 0.042 0.000 1.062 902 K CA 0.392 56.715 56.287 0.059 0.000 0.997 902 K CB 0.105 32.666 32.500 0.101 0.000 1.405 902 K HN 0.580 nan 8.250 nan 0.000 0.588 903 G N 0.805 109.614 108.800 0.014 0.000 2.343 903 G HA2 -0.302 3.660 3.960 0.002 0.000 0.264 903 G HA3 -0.302 3.660 3.960 0.002 0.000 0.264 903 G C 0.366 175.280 174.900 0.024 0.000 0.989 903 G CA 0.763 45.854 45.100 -0.015 0.000 0.627 903 G HN 0.371 nan 8.290 nan 0.000 0.549 904 V N 0.604 120.551 119.914 0.056 0.000 2.614 904 V HA 0.535 4.657 4.120 0.002 0.000 0.291 904 V C 0.720 176.916 176.094 0.169 0.000 1.049 904 V CA -0.111 62.243 62.300 0.089 0.000 1.038 904 V CB 1.607 33.470 31.823 0.067 0.000 0.980 904 V HN 0.254 nan 8.190 nan 0.000 0.481 905 V N 6.641 126.676 119.914 0.203 0.000 2.914 905 V HA 0.557 4.678 4.120 0.002 0.000 0.314 905 V C -2.299 173.918 176.094 0.206 0.000 1.084 905 V CA -1.866 60.581 62.300 0.244 0.000 0.963 905 V CB 2.896 34.802 31.823 0.139 0.000 1.025 905 V HN 0.789 nan 8.190 nan 0.000 0.432 906 P HA 0.354 nan 4.420 nan 0.000 0.276 906 P C -0.498 176.733 177.300 -0.114 0.000 1.244 906 P CA -0.173 62.830 63.100 -0.161 0.000 0.801 906 P CB 0.900 32.370 31.700 -0.384 0.000 1.006 907 D N -0.015 120.307 120.400 -0.130 0.000 2.388 907 D HA 0.218 4.859 4.640 0.002 0.000 0.208 907 D C 0.517 176.726 176.300 -0.151 0.000 1.035 907 D CA 0.911 54.855 54.000 -0.094 0.000 0.875 907 D CB 0.676 41.456 40.800 -0.034 0.000 0.984 907 D HN 0.286 nan 8.370 nan 0.000 0.508 908 I N 0.980 121.426 120.570 -0.206 0.000 2.680 908 I HA 0.241 4.412 4.170 0.002 0.000 0.291 908 I C -1.332 174.630 176.117 -0.257 0.000 1.244 908 I CA -0.508 60.625 61.300 -0.277 0.000 1.042 908 I CB 2.915 40.691 38.000 -0.374 0.000 1.277 908 I HN -0.328 nan 8.210 nan 0.000 0.423 909 I N 6.884 127.316 120.570 -0.230 0.000 2.464 909 I HA 0.313 4.484 4.170 0.002 0.000 0.277 909 I C -0.237 175.818 176.117 -0.104 0.000 1.040 909 I CA -0.420 60.779 61.300 -0.167 0.000 1.153 909 I CB 1.363 39.271 38.000 -0.154 0.000 1.274 909 I HN 0.340 nan 8.210 nan 0.000 0.469 910 L N 5.296 126.477 121.223 -0.071 0.000 2.439 910 L HA 0.285 4.626 4.340 0.002 0.000 0.269 910 L C 0.031 176.908 176.870 0.012 0.000 1.179 910 L CA 0.085 54.917 54.840 -0.013 0.000 0.828 910 L CB 1.038 43.121 42.059 0.040 0.000 1.106 910 L HN 0.650 nan 8.230 nan 0.000 0.467 911 N N 4.563 123.287 118.700 0.040 0.000 2.408 911 N HA 0.243 4.985 4.740 0.002 0.000 0.257 911 N C -1.874 173.670 175.510 0.057 0.000 1.064 911 N CA -1.315 51.781 53.050 0.076 0.000 0.952 911 N CB 1.321 39.877 38.487 0.115 0.000 1.093 911 N HN 0.375 nan 8.380 nan 0.000 0.490 912 P HA -0.225 nan 4.420 nan 0.000 0.221 912 P C 0.471 177.696 177.300 -0.124 0.000 1.141 912 P CA 1.180 64.230 63.100 -0.083 0.000 0.794 912 P CB 0.061 31.688 31.700 -0.121 0.000 0.764 913 H N -1.257 117.810 119.070 -0.004 0.000 2.457 913 H HA 0.080 4.637 4.556 0.002 0.000 0.294 913 H C 1.781 177.106 175.328 -0.005 0.000 1.064 913 H CA 1.375 57.421 56.048 -0.003 0.000 1.330 913 H CB -0.233 29.530 29.762 0.002 0.000 1.395 913 H HN 0.114 nan 8.280 nan 0.000 0.541 914 A N 0.530 123.406 122.820 0.093 0.000 2.206 914 A HA -0.020 4.301 4.320 0.002 0.000 0.211 914 A C 2.128 179.724 177.584 0.019 0.000 1.158 914 A CA 0.294 52.367 52.037 0.060 0.000 0.761 914 A CB -0.204 18.831 19.000 0.058 0.000 0.801 914 A HN 0.081 nan 8.150 nan 0.000 0.473 915 L N 0.514 121.729 121.223 -0.014 0.000 1.984 915 L HA 0.035 4.377 4.340 0.002 0.000 0.207 915 L C -0.402 176.446 176.870 -0.037 0.000 1.111 915 L CA 1.866 56.679 54.840 -0.045 0.000 0.770 915 L CB -1.501 40.505 42.059 -0.088 0.000 0.900 915 L HN 0.150 nan 8.230 nan 0.000 0.441 916 P HA -0.143 nan 4.420 nan 0.000 0.218 916 P C 1.718 179.007 177.300 -0.019 0.000 1.148 916 P CA 1.973 65.052 63.100 -0.034 0.000 0.822 916 P CB -0.177 31.500 31.700 -0.038 0.000 0.784 917 S N -0.234 115.462 115.700 -0.006 0.000 2.400 917 S HA -0.104 4.367 4.470 0.002 0.000 0.232 917 S C 1.756 176.352 174.600 -0.007 0.000 1.025 917 S CA 0.789 58.990 58.200 0.001 0.000 0.993 917 S CB -0.716 62.494 63.200 0.017 0.000 0.808 917 S HN 0.031 nan 8.310 nan 0.000 0.478 918 R N 1.002 121.495 120.500 -0.013 0.000 2.432 918 R HA 0.389 4.730 4.340 0.002 0.000 0.260 918 R C 0.362 176.639 176.300 -0.038 0.000 0.935 918 R CA -0.004 56.080 56.100 -0.026 0.000 1.080 918 R CB -1.098 29.192 30.300 -0.017 0.000 1.155 918 R HN 0.656 nan 8.270 nan 0.000 0.531 919 M N 1.479 121.061 119.600 -0.030 0.000 2.137 919 M HA -0.182 4.299 4.480 0.002 0.000 0.185 919 M C -0.565 175.722 176.300 -0.022 0.000 0.597 919 M CA 1.283 56.567 55.300 -0.026 0.000 0.426 919 M CB -2.097 30.490 32.600 -0.022 0.000 1.006 919 M HN 0.042 nan 8.290 nan 0.000 0.922 920 T N -1.065 113.474 114.554 -0.025 0.000 3.154 920 T HA 0.633 4.984 4.350 0.002 0.000 0.381 920 T C 0.435 175.119 174.700 -0.028 0.000 1.368 920 T CA -1.138 60.959 62.100 -0.005 0.000 1.155 920 T CB 1.207 70.074 68.868 -0.002 0.000 1.120 920 T HN 0.318 nan 8.240 nan 0.000 0.570 921 L N 1.899 123.124 121.223 0.004 0.000 2.440 921 L HA 0.459 4.800 4.340 0.002 0.000 0.184 921 L C 2.201 179.034 176.870 -0.062 0.000 1.111 921 L CA 1.725 56.547 54.840 -0.029 0.000 0.910 921 L CB -1.165 40.920 42.059 0.044 0.000 1.455 921 L HN 0.947 nan 8.230 nan 0.000 0.523 922 G N -0.615 108.103 108.800 -0.138 0.000 2.382 922 G HA2 -0.424 3.537 3.960 0.002 0.000 0.259 922 G HA3 -0.424 3.537 3.960 0.002 0.000 0.259 922 G C 1.185 175.917 174.900 -0.281 0.000 1.009 922 G CA 1.216 46.233 45.100 -0.138 0.000 0.625 922 G HN 0.612 nan 8.290 nan 0.000 0.541 923 Q N 0.298 119.767 119.800 -0.551 0.000 2.096 923 Q HA 0.159 4.500 4.340 0.002 0.000 0.197 923 Q C 2.784 178.645 176.000 -0.232 0.000 0.964 923 Q CA 1.531 56.973 55.803 -0.602 0.000 0.838 923 Q CB -0.205 28.245 28.738 -0.481 0.000 0.906 923 Q HN 0.641 nan 8.270 nan 0.000 0.444 924 I N 0.179 120.615 120.570 -0.224 0.000 2.226 924 I HA -0.283 3.889 4.170 0.002 0.000 0.245 924 I C 2.274 178.402 176.117 0.018 0.000 1.100 924 I CA 1.382 62.584 61.300 -0.164 0.000 1.374 924 I CB -0.852 37.025 38.000 -0.205 0.000 1.057 924 I HN 0.402 nan 8.210 nan 0.000 0.413 925 M N 0.258 119.785 119.600 -0.122 0.000 2.099 925 M HA -0.167 4.314 4.480 0.002 0.000 0.262 925 M C 2.306 178.627 176.300 0.034 0.000 1.067 925 M CA 1.568 56.746 55.300 -0.202 0.000 1.124 925 M CB -0.547 31.631 32.600 -0.704 0.000 1.353 925 M HN 0.178 nan 8.290 nan 0.000 0.410 926 E N 0.368 120.653 120.200 0.141 0.000 2.130 926 E HA -0.187 4.164 4.350 0.002 0.000 0.196 926 E C 2.024 178.734 176.600 0.183 0.000 0.998 926 E CA 1.554 58.106 56.400 0.253 0.000 0.806 926 E CB -0.127 29.691 29.700 0.196 0.000 0.738 926 E HN 0.585 nan 8.360 nan 0.000 0.459 927 G N 0.733 109.638 108.800 0.175 0.000 2.394 927 G HA2 -0.170 3.791 3.960 0.002 0.000 0.215 927 G HA3 -0.170 3.791 3.960 0.002 0.000 0.215 927 G C 1.607 176.575 174.900 0.112 0.000 1.165 927 G CA 0.381 45.598 45.100 0.194 0.000 0.784 927 G HN 0.173 nan 8.290 nan 0.000 0.535 928 I N 1.443 122.100 120.570 0.144 0.000 2.252 928 I HA -0.128 4.043 4.170 0.002 0.000 0.245 928 I C 3.290 179.470 176.117 0.106 0.000 1.102 928 I CA 0.907 62.255 61.300 0.080 0.000 1.385 928 I CB -0.202 37.856 38.000 0.096 0.000 1.064 928 I HN 0.221 nan 8.210 nan 0.000 0.414 929 A N 1.095 124.003 122.820 0.148 0.000 1.883 929 A HA -0.189 4.132 4.320 0.002 0.000 0.217 929 A C 2.459 180.136 177.584 0.154 0.000 1.186 929 A CA 2.066 54.222 52.037 0.199 0.000 0.624 929 A CB -1.600 17.564 19.000 0.274 0.000 0.822 929 A HN 0.470 nan 8.150 nan 0.000 0.444 930 G N -0.632 108.239 108.800 0.118 0.000 2.475 930 G HA2 -0.290 3.671 3.960 0.002 0.000 0.220 930 G HA3 -0.290 3.671 3.960 0.002 0.000 0.220 930 G C 1.617 176.532 174.900 0.026 0.000 1.125 930 G CA 1.604 46.748 45.100 0.073 0.000 0.755 930 G HN 0.548 nan 8.290 nan 0.000 0.565 931 K N -0.254 120.162 120.400 0.026 0.000 1.967 931 K HA -0.050 4.271 4.320 0.002 0.000 0.212 931 K C 1.037 177.631 176.600 -0.009 0.000 1.044 931 K CA 0.242 56.523 56.287 -0.011 0.000 0.942 931 K CB -0.529 31.962 32.500 -0.016 0.000 0.726 931 K HN 0.237 nan 8.250 nan 0.000 0.440 932 Y N 0.281 120.542 120.300 -0.065 0.000 2.529 932 Y HA 0.197 4.749 4.550 0.002 0.000 0.342 932 Y C 0.091 175.935 175.900 -0.095 0.000 1.249 932 Y CA 0.262 58.285 58.100 -0.129 0.000 1.810 932 Y CB -0.301 38.106 38.460 -0.087 0.000 1.653 932 Y HN 0.263 nan 8.280 nan 0.000 0.451 933 A N 2.863 125.454 122.820 -0.382 0.000 1.595 933 A HA 0.250 4.571 4.320 0.002 0.000 0.199 933 A C 1.372 178.825 177.584 -0.217 0.000 1.987 933 A CA 0.329 52.194 52.037 -0.287 0.000 1.632 933 A CB -1.069 17.880 19.000 -0.086 0.000 1.535 933 A HN 0.726 nan 8.150 nan 0.000 0.299 934 A N -0.191 122.541 122.820 -0.147 0.000 2.238 934 A HA 0.537 4.858 4.320 0.002 0.000 0.210 934 A C 1.757 179.283 177.584 -0.096 0.000 1.179 934 A CA 1.072 53.055 52.037 -0.090 0.000 0.827 934 A CB -0.350 18.622 19.000 -0.046 0.000 0.856 934 A HN 0.427 nan 8.150 nan 0.000 0.488 935 L N -0.624 120.487 121.223 -0.187 0.000 2.262 935 L HA -0.027 4.314 4.340 0.002 0.000 0.197 935 L C 2.835 179.517 176.870 -0.313 0.000 1.073 935 L CA 1.292 56.033 54.840 -0.165 0.000 0.800 935 L CB -0.366 41.594 42.059 -0.164 0.000 0.987 935 L HN 0.455 nan 8.230 nan 0.000 0.470 936 S N -0.736 114.519 115.700 -0.742 0.000 2.395 936 S HA 0.095 4.567 4.470 0.002 0.000 0.225 936 S C 1.623 176.080 174.600 -0.239 0.000 1.027 936 S CA 0.810 58.617 58.200 -0.656 0.000 0.965 936 S CB 0.302 62.793 63.200 -1.181 0.000 0.812 936 S HN 0.551 nan 8.310 nan 0.000 0.482 937 G N 2.407 111.044 108.800 -0.271 0.000 2.339 937 G HA2 -0.227 3.734 3.960 0.002 0.000 0.209 937 G HA3 -0.227 3.734 3.960 0.002 0.000 0.209 937 G C -0.060 174.771 174.900 -0.115 0.000 1.015 937 G CA -0.153 44.872 45.100 -0.126 0.000 0.635 937 G HN 0.715 nan 8.290 nan 0.000 0.499 938 N N 1.296 119.907 118.700 -0.148 0.000 2.503 938 N HA 0.462 5.203 4.740 0.002 0.000 0.267 938 N C -0.489 174.966 175.510 -0.093 0.000 1.214 938 N CA -0.155 52.848 53.050 -0.078 0.000 0.959 938 N CB 1.498 39.974 38.487 -0.018 0.000 1.142 938 N HN 0.161 nan 8.380 nan 0.000 0.455 939 I N 1.271 121.822 120.570 -0.032 0.000 2.291 939 I HA 0.011 4.182 4.170 0.002 0.000 0.292 939 I C 0.640 176.767 176.117 0.016 0.000 1.064 939 I CA -0.678 60.610 61.300 -0.021 0.000 1.269 939 I CB 0.940 38.929 38.000 -0.017 0.000 1.418 939 I HN 0.350 nan 8.210 nan 0.000 0.485 940 V N 7.175 127.123 119.914 0.056 0.000 2.617 940 V HA 0.010 4.132 4.120 0.002 0.000 0.304 940 V C 0.287 176.394 176.094 0.021 0.000 1.040 940 V CA 0.116 62.489 62.300 0.123 0.000 1.149 940 V CB 0.781 32.752 31.823 0.247 0.000 0.914 940 V HN 0.822 nan 8.190 nan 0.000 0.487 941 D N 5.672 126.070 120.400 -0.005 0.000 2.255 941 D HA 0.530 5.171 4.640 0.002 0.000 0.249 941 D C -0.470 175.687 176.300 -0.240 0.000 1.078 941 D CA -0.040 53.890 54.000 -0.116 0.000 0.896 941 D CB 1.899 42.637 40.800 -0.104 0.000 1.194 941 D HN 0.903 nan 8.370 nan 0.000 0.429 942 A N 3.074 125.633 122.820 -0.434 0.000 2.340 942 A HA 0.568 4.889 4.320 0.002 0.000 0.297 942 A C -0.548 176.667 177.584 -0.615 0.000 1.195 942 A CA -0.579 50.970 52.037 -0.815 0.000 0.769 942 A CB 1.267 19.433 19.000 -1.390 0.000 1.163 942 A HN 0.510 nan 8.150 nan 0.000 0.472 943 T N 2.607 116.857 114.554 -0.507 0.000 2.901 943 T HA 0.513 4.865 4.350 0.002 0.000 0.293 943 T C -2.569 171.990 174.700 -0.235 0.000 1.084 943 T CA -1.322 60.577 62.100 -0.336 0.000 1.008 943 T CB 1.750 70.465 68.868 -0.254 0.000 1.170 943 T HN 0.218 nan 8.240 nan 0.000 0.509 944 P HA 0.252 nan 4.420 nan 0.000 0.301 944 P C -0.482 176.943 177.300 0.208 0.000 1.560 944 P CA 0.604 63.692 63.100 -0.019 0.000 0.784 944 P CB -0.350 31.262 31.700 -0.146 0.000 1.715 945 F N -3.785 116.123 119.950 -0.070 0.000 3.444 945 F HA 0.147 4.675 4.527 0.002 0.000 0.332 945 F C -0.318 175.578 175.800 0.160 0.000 1.198 945 F CA -0.350 57.684 58.000 0.056 0.000 0.679 945 F CB -0.650 38.346 39.000 -0.006 0.000 1.906 945 F HN -0.194 nan 8.300 nan 0.000 0.446 946 Y N 0.243 120.589 120.300 0.077 0.000 2.523 946 Y HA -0.285 4.267 4.550 0.002 0.000 0.023 946 Y C 0.922 176.835 175.900 0.021 0.000 1.721 946 Y CA 0.412 58.534 58.100 0.036 0.000 1.408 946 Y CB -0.048 38.424 38.460 0.019 0.000 2.055 946 Y HN 0.067 nan 8.280 nan 0.000 0.256 947 K N 0.380 121.046 120.400 0.443 0.000 2.225 947 K HA 0.258 4.579 4.320 0.002 0.000 0.204 947 K C -0.356 176.401 176.600 0.261 0.000 1.047 947 K CA 1.648 58.096 56.287 0.269 0.000 0.970 947 K CB 0.585 33.178 32.500 0.156 0.000 0.939 947 K HN 0.608 nan 8.250 nan 0.000 0.472 948 T N 3.896 118.661 114.554 0.351 0.000 3.422 948 T HA 0.233 4.584 4.350 0.002 0.000 0.327 948 T C -2.917 171.669 174.700 -0.190 0.000 0.840 948 T CA -1.125 61.002 62.100 0.046 0.000 1.126 948 T CB 1.696 70.579 68.868 0.025 0.000 1.008 948 T HN 0.113 nan 8.240 nan 0.000 0.485 949 P HA 0.033 nan 4.420 nan 0.000 0.261 949 P C 1.476 178.518 177.300 -0.429 0.000 1.165 949 P CA -0.085 62.381 63.100 -1.057 0.000 0.759 949 P CB 0.432 31.728 31.700 -0.674 0.000 0.772 950 I N 2.501 122.913 120.570 -0.263 0.000 2.130 950 I HA -0.412 3.759 4.170 0.002 0.000 0.241 950 I C 1.968 178.026 176.117 -0.098 0.000 1.023 950 I CA 1.922 63.173 61.300 -0.081 0.000 1.293 950 I CB -1.598 36.353 38.000 -0.082 0.000 1.001 950 I HN 0.324 nan 8.210 nan 0.000 0.407 951 E N 1.338 121.471 120.200 -0.113 0.000 2.312 951 E HA -0.346 4.005 4.350 0.002 0.000 0.209 951 E C 1.979 178.527 176.600 -0.087 0.000 1.047 951 E CA 2.231 58.580 56.400 -0.086 0.000 0.840 951 E CB -0.776 28.869 29.700 -0.091 0.000 0.738 951 E HN 0.783 nan 8.360 nan 0.000 0.478 952 Q N -0.063 119.665 119.800 -0.120 0.000 2.226 952 Q HA 0.113 4.454 4.340 0.002 0.000 0.199 952 Q C 2.642 178.534 176.000 -0.180 0.000 0.945 952 Q CA 0.378 56.103 55.803 -0.130 0.000 0.861 952 Q CB 0.075 28.727 28.738 -0.142 0.000 0.953 952 Q HN 0.278 nan 8.270 nan 0.000 0.490 953 L N 0.772 121.863 121.223 -0.220 0.000 2.046 953 L HA -0.214 4.128 4.340 0.002 0.000 0.208 953 L C 2.438 179.224 176.870 -0.139 0.000 1.077 953 L CA 1.217 55.846 54.840 -0.353 0.000 0.747 953 L CB -0.643 41.277 42.059 -0.232 0.000 0.896 953 L HN 0.233 nan 8.230 nan 0.000 0.432 954 Q N 0.276 120.044 119.800 -0.054 0.000 2.096 954 Q HA -0.253 4.088 4.340 0.002 0.000 0.208 954 Q C 2.082 178.096 176.000 0.023 0.000 0.993 954 Q CA 1.885 57.692 55.803 0.006 0.000 0.862 954 Q CB -0.362 28.378 28.738 0.003 0.000 0.915 954 Q HN 0.516 nan 8.270 nan 0.000 0.416 955 N N 0.342 119.038 118.700 -0.006 0.000 2.104 955 N HA -0.155 4.586 4.740 0.002 0.000 0.190 955 N C 1.566 177.117 175.510 0.067 0.000 1.024 955 N CA 1.086 54.147 53.050 0.017 0.000 0.853 955 N CB -0.150 38.333 38.487 -0.007 0.000 1.008 955 N HN 0.284 nan 8.380 nan 0.000 0.424 956 E N 0.777 121.016 120.200 0.066 0.000 2.072 956 E HA -0.048 4.303 4.350 0.002 0.000 0.190 956 E C 2.122 178.965 176.600 0.406 0.000 0.982 956 E CA 0.520 57.062 56.400 0.237 0.000 0.803 956 E CB -0.145 29.665 29.700 0.183 0.000 0.755 956 E HN 0.554 nan 8.360 nan 0.000 0.453 957 I N -0.368 120.365 120.570 0.272 0.000 2.454 957 I HA -0.189 3.982 4.170 0.002 0.000 0.254 957 I C 2.634 178.909 176.117 0.262 0.000 1.156 957 I CA 0.804 62.282 61.300 0.295 0.000 1.433 957 I CB -0.561 37.572 38.000 0.223 0.000 1.082 957 I HN -0.012 nan 8.210 nan 0.000 0.432 958 L N 1.306 122.635 121.223 0.177 0.000 1.994 958 L HA -0.188 4.153 4.340 0.002 0.000 0.208 958 L C 2.941 179.867 176.870 0.094 0.000 1.071 958 L CA 1.495 56.402 54.840 0.111 0.000 0.745 958 L CB -0.209 41.894 42.059 0.073 0.000 0.892 958 L HN 0.085 nan 8.230 nan 0.000 0.431 959 R N -1.276 119.299 120.500 0.125 0.000 2.096 959 R HA -0.167 4.174 4.340 0.002 0.000 0.235 959 R C 2.019 178.334 176.300 0.025 0.000 1.127 959 R CA 1.756 57.890 56.100 0.057 0.000 0.968 959 R CB -0.630 29.699 30.300 0.049 0.000 0.861 959 R HN 0.391 nan 8.270 nan 0.000 0.440 960 Y N -1.029 119.301 120.300 0.050 0.000 2.497 960 Y HA 0.045 4.596 4.550 0.002 0.000 0.292 960 Y C 1.386 177.253 175.900 -0.055 0.000 1.137 960 Y CA 1.375 59.507 58.100 0.053 0.000 1.285 960 Y CB 0.430 38.978 38.460 0.145 0.000 0.991 960 Y HN 0.309 nan 8.280 nan 0.000 0.556 961 G N -1.813 106.962 108.800 -0.041 0.000 2.147 961 G HA2 -0.181 3.780 3.960 0.002 0.000 0.128 961 G HA3 -0.181 3.780 3.960 0.002 0.000 0.128 961 G C -0.672 173.660 174.900 -0.946 0.000 1.026 961 G CA -0.658 44.189 45.100 -0.422 0.000 0.693 961 G HN 0.256 nan 8.290 nan 0.000 0.499 962 Y N -0.989 119.362 120.300 0.084 0.000 2.562 962 Y HA 0.641 5.192 4.550 0.002 0.000 0.345 962 Y C 0.701 176.629 175.900 0.047 0.000 1.045 962 Y CA -1.319 56.813 58.100 0.053 0.000 1.028 962 Y CB 1.261 39.749 38.460 0.047 0.000 1.297 962 Y HN 0.077 nan 8.280 nan 0.000 0.463 963 L N 4.045 125.389 121.223 0.201 0.000 2.499 963 L HA 0.089 4.430 4.340 0.002 0.000 0.273 963 L C -1.598 175.335 176.870 0.106 0.000 1.195 963 L CA -1.110 53.798 54.840 0.114 0.000 0.882 963 L CB 0.172 42.286 42.059 0.092 0.000 1.133 963 L HN 0.484 nan 8.230 nan 0.000 0.483 964 P HA -0.194 nan 4.420 nan 0.000 0.218 964 P C 0.195 177.533 177.300 0.063 0.000 1.152 964 P CA 1.365 64.505 63.100 0.067 0.000 0.857 964 P CB 0.144 31.872 31.700 0.047 0.000 0.787 965 D N -2.153 118.288 120.400 0.068 0.000 2.889 965 D HA 0.406 5.047 4.640 0.002 0.000 0.243 965 D C 0.886 177.233 176.300 0.079 0.000 1.270 965 D CA 0.212 54.264 54.000 0.086 0.000 0.838 965 D CB -0.885 39.970 40.800 0.093 0.000 1.040 965 D HN -0.046 nan 8.370 nan 0.000 0.480 966 A N -0.284 122.555 122.820 0.032 0.000 3.292 966 A HA -0.281 4.040 4.320 0.002 0.000 0.273 966 A C 1.164 178.691 177.584 -0.095 0.000 1.153 966 A CA 1.712 53.704 52.037 -0.075 0.000 0.998 966 A CB -2.367 16.485 19.000 -0.246 0.000 0.977 966 A HN 0.384 nan 8.150 nan 0.000 0.707 967 T N -0.781 113.788 114.554 0.025 0.000 2.926 967 T HA 0.498 4.850 4.350 0.002 0.000 0.307 967 T C -0.089 174.639 174.700 0.047 0.000 1.059 967 T CA 0.388 62.529 62.100 0.070 0.000 1.122 967 T CB 1.430 70.355 68.868 0.096 0.000 0.972 967 T HN 0.517 nan 8.240 nan 0.000 0.545 968 E N 0.272 120.487 120.200 0.025 0.000 2.314 968 E HA 0.448 4.799 4.350 0.002 0.000 0.272 968 E C -1.222 175.331 176.600 -0.077 0.000 0.884 968 E CA -0.954 55.418 56.400 -0.046 0.000 0.753 968 E CB 2.776 32.361 29.700 -0.192 0.000 1.213 968 E HN 0.476 nan 8.360 nan 0.000 0.432 969 V N 4.160 124.049 119.914 -0.041 0.000 2.470 969 V HA 0.276 4.398 4.120 0.002 0.000 0.276 969 V C -0.291 175.763 176.094 -0.066 0.000 1.040 969 V CA 0.058 62.332 62.300 -0.043 0.000 1.008 969 V CB 0.575 32.403 31.823 0.009 0.000 0.990 969 V HN 0.448 nan 8.190 nan 0.000 0.477 970 V N 5.775 125.611 119.914 -0.129 0.000 3.046 970 V HA 0.687 4.808 4.120 0.002 0.000 0.316 970 V C -1.376 174.586 176.094 -0.219 0.000 1.104 970 V CA -0.925 61.294 62.300 -0.136 0.000 1.006 970 V CB 2.097 33.795 31.823 -0.209 0.000 1.058 970 V HN 0.690 nan 8.190 nan 0.000 0.440 971 Y N 0.736 120.765 120.300 -0.452 0.000 2.328 971 Y HA 0.432 4.983 4.550 0.002 0.000 0.333 971 Y C 0.395 175.947 175.900 -0.581 0.000 0.958 971 Y CA -0.664 57.078 58.100 -0.597 0.000 1.167 971 Y CB 1.333 39.272 38.460 -0.868 0.000 1.151 971 Y HN 0.826 nan 8.280 nan 0.000 0.470 972 D N 3.262 123.567 120.400 -0.159 0.000 2.551 972 D HA -0.025 4.616 4.640 0.002 0.000 0.248 972 D C 1.557 177.899 176.300 0.069 0.000 1.238 972 D CA 0.670 54.687 54.000 0.028 0.000 1.236 972 D CB 0.120 40.945 40.800 0.042 0.000 1.133 972 D HN 0.955 nan 8.370 nan 0.000 0.504 973 G N 3.414 112.266 108.800 0.088 0.000 2.562 973 G HA2 -0.358 3.604 3.960 0.002 0.000 0.223 973 G HA3 -0.358 3.604 3.960 0.002 0.000 0.223 973 G C 1.492 176.549 174.900 0.261 0.000 1.102 973 G CA 0.938 46.248 45.100 0.350 0.000 0.742 973 G HN 0.612 nan 8.290 nan 0.000 0.587 974 R N -0.198 120.427 120.500 0.208 0.000 2.328 974 R HA 0.051 4.392 4.340 0.002 0.000 0.207 974 R C 1.890 178.255 176.300 0.109 0.000 1.056 974 R CA 1.758 57.948 56.100 0.150 0.000 1.016 974 R CB -0.413 29.969 30.300 0.137 0.000 0.872 974 R HN 0.427 nan 8.270 nan 0.000 0.471 975 T N -3.701 110.922 114.554 0.115 0.000 3.254 975 T HA 0.282 4.633 4.350 0.002 0.000 0.267 975 T C 1.311 176.082 174.700 0.118 0.000 0.946 975 T CA 0.848 63.001 62.100 0.089 0.000 0.991 975 T CB 0.580 69.481 68.868 0.055 0.000 1.205 975 T HN 0.354 nan 8.240 nan 0.000 0.494 976 G N 1.815 110.707 108.800 0.153 0.000 2.238 976 G HA2 -0.184 3.777 3.960 0.002 0.000 0.217 976 G HA3 -0.184 3.777 3.960 0.002 0.000 0.217 976 G C 0.103 175.148 174.900 0.242 0.000 0.996 976 G CA 0.270 45.501 45.100 0.218 0.000 0.632 976 G HN 1.042 nan 8.290 nan 0.000 0.503 977 Q N 1.247 121.121 119.800 0.122 0.000 2.394 977 Q HA 0.483 4.824 4.340 0.002 0.000 0.248 977 Q C 0.375 176.296 176.000 -0.132 0.000 0.992 977 Q CA 0.109 55.943 55.803 0.050 0.000 0.888 977 Q CB 0.686 29.425 28.738 0.003 0.000 1.257 977 Q HN 0.628 nan 8.270 nan 0.000 0.462 978 K N 1.440 121.596 120.400 -0.406 0.000 2.185 978 K HA 0.319 4.640 4.320 0.002 0.000 0.271 978 K C 0.022 176.375 176.600 -0.411 0.000 1.013 978 K CA -0.778 54.971 56.287 -0.898 0.000 0.943 978 K CB 0.432 32.181 32.500 -1.251 0.000 0.998 978 K HN 0.610 nan 8.250 nan 0.000 0.468 979 I N -0.701 119.659 120.570 -0.350 0.000 3.494 979 I HA 0.044 4.215 4.170 0.002 0.000 0.266 979 I C 0.970 176.999 176.117 -0.145 0.000 1.264 979 I CA -0.018 61.181 61.300 -0.168 0.000 1.230 979 I CB 0.371 38.318 38.000 -0.088 0.000 1.420 979 I HN 0.819 nan 8.210 nan 0.000 0.675 980 K N -0.315 120.038 120.400 -0.078 0.000 2.370 980 K HA 0.274 4.595 4.320 0.002 0.000 0.194 980 K C 0.667 177.243 176.600 -0.040 0.000 1.070 980 K CA 0.367 56.617 56.287 -0.061 0.000 0.998 980 K CB 0.407 32.882 32.500 -0.042 0.000 0.911 980 K HN 0.744 nan 8.250 nan 0.000 0.533 981 S N 0.522 116.207 115.700 -0.024 0.000 2.941 981 S HA 0.270 4.742 4.470 0.002 0.000 0.251 981 S C -0.902 173.705 174.600 0.011 0.000 1.029 981 S CA -0.432 57.766 58.200 -0.004 0.000 1.062 981 S CB 0.332 63.536 63.200 0.006 0.000 0.977 981 S HN 0.285 nan 8.310 nan 0.000 0.552 982 R N 0.653 121.152 120.500 -0.002 0.000 3.749 982 R HA -0.136 4.205 4.340 0.002 0.000 0.527 982 R C -1.033 175.303 176.300 0.060 0.000 0.241 982 R CA 0.952 57.061 56.100 0.016 0.000 1.639 982 R CB -0.445 29.874 30.300 0.032 0.000 1.007 982 R HN 0.307 nan 8.270 nan 0.000 0.563 983 I N -0.383 120.249 120.570 0.105 0.000 2.753 983 I HA 0.070 4.242 4.170 0.002 0.000 0.291 983 I C -0.861 175.428 176.117 0.285 0.000 1.425 983 I CA -0.524 60.899 61.300 0.204 0.000 1.039 983 I CB 1.470 39.641 38.000 0.285 0.000 1.349 983 I HN 0.623 nan 8.210 nan 0.000 0.430 984 Y N 5.754 126.143 120.300 0.148 0.000 2.632 984 Y HA 0.141 4.692 4.550 0.002 0.000 0.329 984 Y C -0.754 175.286 175.900 0.233 0.000 1.174 984 Y CA 0.664 58.848 58.100 0.141 0.000 1.469 984 Y CB 0.272 38.767 38.460 0.058 0.000 1.242 984 Y HN 0.352 nan 8.280 nan 0.000 0.540 985 F N 5.925 125.660 119.950 -0.359 0.000 2.523 985 F HA 0.419 4.947 4.527 0.002 0.000 0.322 985 F C 0.616 176.146 175.800 -0.451 0.000 1.361 985 F CA -0.727 57.104 58.000 -0.281 0.000 1.151 985 F CB 0.303 39.199 39.000 -0.175 0.000 1.391 985 F HN 0.666 nan 8.300 nan 0.000 0.566 986 G N 0.354 108.793 108.800 -0.602 0.000 2.588 986 G HA2 0.528 4.489 3.960 0.002 0.000 0.281 986 G HA3 0.528 4.489 3.960 0.002 0.000 0.281 986 G C -1.056 173.800 174.900 -0.074 0.000 1.236 986 G CA -0.489 44.393 45.100 -0.364 0.000 0.969 986 G HN 0.087 nan 8.290 nan 0.000 0.504 987 V N -0.101 119.820 119.914 0.011 0.000 2.407 987 V HA 0.523 4.645 4.120 0.002 0.000 0.291 987 V C -0.380 175.791 176.094 0.130 0.000 1.018 987 V CA -0.677 61.659 62.300 0.059 0.000 0.842 987 V CB 1.194 33.040 31.823 0.038 0.000 0.996 987 V HN 0.467 nan 8.190 nan 0.000 0.426 988 V N 4.175 124.197 119.914 0.181 0.000 2.735 988 V HA 0.419 4.540 4.120 0.002 0.000 0.310 988 V C -1.022 175.246 176.094 0.290 0.000 1.061 988 V CA -0.933 61.501 62.300 0.224 0.000 0.913 988 V CB 2.484 34.423 31.823 0.195 0.000 1.005 988 V HN 0.791 nan 8.190 nan 0.000 0.428 989 Y N 4.393 124.763 120.300 0.117 0.000 2.496 989 Y HA 0.327 4.878 4.550 0.002 0.000 0.334 989 Y C -0.917 175.030 175.900 0.078 0.000 1.080 989 Y CA 0.109 58.286 58.100 0.127 0.000 1.355 989 Y CB 0.180 38.680 38.460 0.067 0.000 1.193 989 Y HN 0.561 nan 8.280 nan 0.000 0.523 990 Y N 5.461 125.692 120.300 -0.115 0.000 2.326 990 Y HA 0.265 4.816 4.550 0.002 0.000 0.331 990 Y C -0.430 175.439 175.900 -0.052 0.000 0.962 990 Y CA -0.865 57.243 58.100 0.014 0.000 1.167 990 Y CB 1.197 39.752 38.460 0.159 0.000 1.148 990 Y HN 0.534 nan 8.280 nan 0.000 0.463 991 Q N 3.421 123.241 119.800 0.033 0.000 2.230 991 Q HA 0.347 4.688 4.340 0.002 0.000 0.248 991 Q C -0.745 175.217 176.000 -0.064 0.000 0.915 991 Q CA -1.099 54.721 55.803 0.028 0.000 0.900 991 Q CB 2.116 30.896 28.738 0.070 0.000 1.229 991 Q HN 0.356 nan 8.270 nan 0.000 0.439 992 K N 3.151 123.425 120.400 -0.210 0.000 2.211 992 K HA 0.218 4.539 4.320 0.002 0.000 0.275 992 K C -0.999 175.336 176.600 -0.441 0.000 1.024 992 K CA -0.539 55.278 56.287 -0.783 0.000 0.887 992 K CB 0.739 32.740 32.500 -0.832 0.000 1.084 992 K HN 0.541 nan 8.250 nan 0.000 0.463 993 L N 3.278 124.239 121.223 -0.437 0.000 2.479 993 L HA 0.190 4.531 4.340 0.002 0.000 0.249 993 L C 1.346 178.131 176.870 -0.142 0.000 1.178 993 L CA 0.283 55.031 54.840 -0.153 0.000 0.811 993 L CB 0.383 42.438 42.059 -0.006 0.000 1.187 993 L HN 0.789 nan 8.230 nan 0.000 0.480 994 H N -2.940 115.957 119.070 -0.289 0.000 2.519 994 H HA 0.244 4.801 4.556 0.002 0.000 0.289 994 H C -0.232 174.900 175.328 -0.327 0.000 1.040 994 H CA -0.005 55.840 56.048 -0.338 0.000 1.165 994 H CB -0.461 28.991 29.762 -0.516 0.000 1.462 994 H HN 0.560 nan 8.280 nan 0.000 0.555 995 H N 1.043 119.959 119.070 -0.256 0.000 2.540 995 H HA 0.238 4.795 4.556 0.002 0.000 0.264 995 H C -0.078 175.193 175.328 -0.094 0.000 1.427 995 H CA -0.444 55.469 56.048 -0.225 0.000 1.103 995 H CB -0.008 29.621 29.762 -0.222 0.000 1.572 995 H HN 0.355 nan 8.280 nan 0.000 0.511 996 M N -0.029 119.572 119.600 0.001 0.000 2.226 996 M HA -0.028 4.453 4.480 0.002 0.000 0.324 996 M C 1.465 177.767 176.300 0.004 0.000 1.112 996 M CA 0.068 55.381 55.300 0.022 0.000 1.176 996 M CB 1.422 34.034 32.600 0.020 0.000 1.430 996 M HN 0.322 nan 8.290 nan 0.000 0.462 997 V N 1.742 121.662 119.914 0.010 0.000 2.535 997 V HA -0.087 4.034 4.120 0.002 0.000 0.246 997 V C 2.001 178.079 176.094 -0.027 0.000 1.045 997 V CA 2.201 64.502 62.300 0.002 0.000 1.058 997 V CB -0.172 31.660 31.823 0.015 0.000 0.689 997 V HN 1.007 nan 8.190 nan 0.000 0.461 998 A N -0.260 122.531 122.820 -0.049 0.000 2.024 998 A HA -0.231 4.090 4.320 0.002 0.000 0.220 998 A C 1.758 179.270 177.584 -0.120 0.000 1.164 998 A CA 1.932 53.922 52.037 -0.078 0.000 0.643 998 A CB -0.769 18.180 19.000 -0.086 0.000 0.806 998 A HN 0.618 nan 8.150 nan 0.000 0.451 999 D N 0.117 120.425 120.400 -0.153 0.000 2.351 999 D HA -0.051 4.590 4.640 0.002 0.000 0.216 999 D C 0.765 177.005 176.300 -0.100 0.000 0.968 999 D CA 1.250 55.135 54.000 -0.193 0.000 0.899 999 D CB 0.057 40.721 40.800 -0.227 0.000 0.907 999 D HN 0.747 nan 8.370 nan 0.000 0.514 1000 K N -0.269 120.100 120.400 -0.052 0.000 2.477 1000 K HA 0.658 4.979 4.320 0.002 0.000 0.255 1000 K C -1.030 175.573 176.600 0.005 0.000 0.952 1000 K CA -1.000 55.284 56.287 -0.006 0.000 0.826 1000 K CB 2.927 35.447 32.500 0.032 0.000 1.331 1000 K HN -0.090 nan 8.250 nan 0.000 0.437 1001 L N 0.393 121.641 121.223 0.042 0.000 3.940 1001 L HA 0.178 4.519 4.340 0.002 0.000 0.220 1001 L C -2.176 174.708 176.870 0.025 0.000 1.024 1001 L CA -0.114 54.751 54.840 0.042 0.000 1.026 1001 L CB 1.329 43.377 42.059 -0.018 0.000 1.482 1001 L HN 0.925 nan 8.230 nan 0.000 0.390 1002 H N 3.198 122.291 119.070 0.039 0.000 2.854 1002 H HA 0.631 5.188 4.556 0.002 0.000 0.275 1002 H C -0.267 175.103 175.328 0.070 0.000 1.198 1002 H CA 0.171 56.253 56.048 0.057 0.000 1.489 1002 H CB 1.768 31.555 29.762 0.042 0.000 1.519 1002 H HN 0.705 nan 8.280 nan 0.000 0.503 1003 A N 4.141 127.030 122.820 0.116 0.000 2.916 1003 A HA 0.100 4.421 4.320 0.002 0.000 0.254 1003 A C 0.705 178.388 177.584 0.164 0.000 1.544 1003 A CA -0.075 52.053 52.037 0.152 0.000 1.224 1003 A CB -0.364 18.735 19.000 0.165 0.000 1.012 1003 A HN 0.363 nan 8.150 nan 0.000 0.636 1004 R N 0.478 121.059 120.500 0.135 0.000 2.371 1004 R HA 0.601 4.942 4.340 0.002 0.000 0.312 1004 R C 0.303 176.639 176.300 0.061 0.000 0.980 1004 R CA 0.524 56.676 56.100 0.085 0.000 0.867 1004 R CB 1.291 31.650 30.300 0.099 0.000 1.163 1004 R HN 0.332 nan 8.270 nan 0.000 0.492 1005 A N 4.740 127.583 122.820 0.039 0.000 1.941 1005 A HA 0.290 4.612 4.320 0.002 0.000 0.214 1005 A C 0.615 178.205 177.584 0.010 0.000 1.368 1005 A CA 0.379 52.431 52.037 0.024 0.000 0.651 1005 A CB 0.224 19.238 19.000 0.022 0.000 1.064 1005 A HN 0.548 nan 8.150 nan 0.000 0.492 1006 R N -1.609 118.895 120.500 0.006 0.000 2.740 1006 R HA 0.553 4.894 4.340 0.002 0.000 0.282 1006 R C -0.469 175.825 176.300 -0.009 0.000 0.969 1006 R CA 0.299 56.398 56.100 -0.003 0.000 0.918 1006 R CB 2.077 32.375 30.300 -0.004 0.000 1.175 1006 R HN 0.643 nan 8.270 nan 0.000 0.464 1007 G N 2.064 110.854 108.800 -0.017 0.000 2.550 1007 G HA2 0.339 4.300 3.960 0.002 0.000 0.293 1007 G HA3 0.339 4.300 3.960 0.002 0.000 0.293 1007 G C -2.885 171.999 174.900 -0.027 0.000 1.402 1007 G CA -0.918 44.163 45.100 -0.031 0.000 0.784 1007 G HN 0.429 nan 8.290 nan 0.000 0.482 1008 P HA 0.349 nan 4.420 nan 0.000 0.265 1008 P C -0.098 177.190 177.300 -0.020 0.000 1.187 1008 P CA 0.127 63.212 63.100 -0.025 0.000 0.766 1008 P CB 1.175 32.859 31.700 -0.026 0.000 0.820 1009 V N -0.420 119.481 119.914 -0.022 0.000 2.789 1009 V HA 0.346 4.468 4.120 0.002 0.000 0.311 1009 V C -0.182 175.898 176.094 -0.023 0.000 1.073 1009 V CA -1.208 61.078 62.300 -0.023 0.000 0.921 1009 V CB 1.883 33.683 31.823 -0.038 0.000 1.009 1009 V HN 0.302 nan 8.190 nan 0.000 0.426 1010 Q N 3.016 122.811 119.800 -0.009 0.000 2.304 1010 Q HA 0.108 4.449 4.340 0.002 0.000 0.315 1010 Q C 1.377 177.368 176.000 -0.015 0.000 1.075 1010 Q CA 0.152 55.956 55.803 0.001 0.000 0.988 1010 Q CB 0.571 29.322 28.738 0.022 0.000 1.146 1010 Q HN 0.790 nan 8.270 nan 0.000 0.383 1011 I N 1.894 122.461 120.570 -0.005 0.000 2.194 1011 I HA -0.300 3.872 4.170 0.002 0.000 0.246 1011 I C 1.888 178.006 176.117 0.001 0.000 1.093 1011 I CA 1.114 62.407 61.300 -0.011 0.000 1.355 1011 I CB -0.909 37.096 38.000 0.008 0.000 1.046 1011 I HN 0.507 nan 8.210 nan 0.000 0.413 1012 L N 1.028 122.279 121.223 0.047 0.000 2.049 1012 L HA -0.095 4.246 4.340 0.002 0.000 0.203 1012 L C 2.547 179.558 176.870 0.235 0.000 1.074 1012 L CA 2.641 57.553 54.840 0.119 0.000 0.749 1012 L CB -1.303 40.814 42.059 0.098 0.000 0.907 1012 L HN 0.421 nan 8.230 nan 0.000 0.439 1013 T N -4.115 110.537 114.554 0.164 0.000 3.057 1013 T HA 0.099 4.451 4.350 0.002 0.000 0.254 1013 T C 1.248 176.029 174.700 0.134 0.000 1.094 1013 T CA 0.312 62.557 62.100 0.242 0.000 1.088 1013 T CB 0.123 69.078 68.868 0.144 0.000 0.934 1013 T HN 0.406 nan 8.240 nan 0.000 0.497 1014 R N 0.341 120.803 120.500 -0.063 0.000 3.977 1014 R HA -0.170 4.171 4.340 0.002 0.000 0.428 1014 R C -0.228 176.039 176.300 -0.055 0.000 1.079 1014 R CA 1.153 57.153 56.100 -0.166 0.000 1.269 1014 R CB -1.965 28.076 30.300 -0.431 0.000 1.856 1014 R HN 0.575 nan 8.270 nan 0.000 0.551 1015 Q N 1.313 121.120 119.800 0.011 0.000 2.312 1015 Q HA 0.294 4.635 4.340 0.002 0.000 0.236 1015 Q C -2.288 173.720 176.000 0.013 0.000 0.965 1015 Q CA -2.032 53.785 55.803 0.025 0.000 0.894 1015 Q CB 0.456 29.227 28.738 0.055 0.000 1.225 1015 Q HN -0.136 nan 8.270 nan 0.000 0.478 1016 P HA -0.152 nan 4.420 nan 0.000 0.267 1016 P C -0.506 176.803 177.300 0.015 0.000 1.175 1016 P CA 0.510 63.616 63.100 0.009 0.000 0.763 1016 P CB 0.236 31.944 31.700 0.013 0.000 0.795 1017 T N -0.492 114.068 114.554 0.011 0.000 2.766 1017 T HA 0.212 4.563 4.350 0.002 0.000 0.295 1017 T C -0.003 174.716 174.700 0.031 0.000 1.024 1017 T CA -0.634 61.477 62.100 0.017 0.000 1.018 1017 T CB 0.707 69.580 68.868 0.008 0.000 1.002 1017 T HN 0.339 nan 8.240 nan 0.000 0.532 1018 E N 0.062 120.285 120.200 0.038 0.000 2.187 1018 E HA 0.498 4.849 4.350 0.002 0.000 0.268 1018 E C 0.142 176.788 176.600 0.077 0.000 0.896 1018 E CA -0.195 56.234 56.400 0.050 0.000 0.766 1018 E CB 1.208 30.930 29.700 0.037 0.000 1.142 1018 E HN 1.235 nan 8.360 nan 0.000 0.408 1019 G N 3.517 112.393 108.800 0.126 0.000 2.777 1019 G HA2 -0.247 3.714 3.960 0.002 0.000 0.686 1019 G HA3 -0.247 3.714 3.960 0.002 0.000 0.686 1019 G C 0.419 175.424 174.900 0.175 0.000 1.177 1019 G CA 0.154 45.353 45.100 0.165 0.000 0.775 1019 G HN 0.722 nan 8.290 nan 0.000 0.613 1020 R N 1.826 122.398 120.500 0.119 0.000 2.081 1020 R HA 0.056 4.397 4.340 0.002 0.000 0.235 1020 R C 3.071 179.367 176.300 -0.006 0.000 1.131 1020 R CA 2.439 58.456 56.100 -0.138 0.000 0.960 1020 R CB -0.497 29.614 30.300 -0.315 0.000 0.856 1020 R HN 1.440 nan 8.270 nan 0.000 0.436 1021 A N 1.061 123.898 122.820 0.028 0.000 1.915 1021 A HA -0.228 4.093 4.320 0.002 0.000 0.220 1021 A C 2.179 179.793 177.584 0.051 0.000 1.198 1021 A CA 1.821 53.890 52.037 0.052 0.000 0.647 1021 A CB -0.559 18.467 19.000 0.043 0.000 0.825 1021 A HN 0.397 nan 8.150 nan 0.000 0.456 1022 R N -0.718 119.800 120.500 0.029 0.000 2.427 1022 R HA 0.129 4.470 4.340 0.002 0.000 0.262 1022 R C -0.467 175.809 176.300 -0.041 0.000 0.943 1022 R CA 0.542 56.647 56.100 0.008 0.000 1.081 1022 R CB -0.070 30.244 30.300 0.023 0.000 1.166 1022 R HN 0.648 nan 8.270 nan 0.000 0.534 1023 E N -0.525 119.621 120.200 -0.090 0.000 2.689 1023 E HA -0.153 4.199 4.350 0.002 0.000 0.165 1023 E C -1.416 175.126 176.600 -0.097 0.000 1.609 1023 E CA 0.542 56.789 56.400 -0.255 0.000 0.674 1023 E CB -1.099 28.300 29.700 -0.502 0.000 1.103 1023 E HN 0.568 nan 8.360 nan 0.000 0.373 1024 G N 1.471 110.300 108.800 0.048 0.000 2.657 1024 G HA2 0.517 4.479 3.960 0.002 0.000 0.303 1024 G HA3 0.517 4.479 3.960 0.002 0.000 0.303 1024 G C 0.074 175.041 174.900 0.113 0.000 1.457 1024 G CA -0.155 44.987 45.100 0.069 0.000 0.982 1024 G HN 0.542 nan 8.290 nan 0.000 0.583 1025 G N 0.141 108.969 108.800 0.047 0.000 2.664 1025 G HA2 0.445 4.406 3.960 0.002 0.000 0.242 1025 G HA3 0.445 4.406 3.960 0.002 0.000 0.242 1025 G C 0.442 175.274 174.900 -0.113 0.000 1.225 1025 G CA -0.513 44.564 45.100 -0.040 0.000 0.849 1025 G HN 0.801 nan 8.290 nan 0.000 0.581 1026 L N 0.483 121.588 121.223 -0.197 0.000 2.426 1026 L HA 0.208 4.549 4.340 0.002 0.000 0.271 1026 L C 1.488 178.349 176.870 -0.015 0.000 1.169 1026 L CA -0.665 54.099 54.840 -0.127 0.000 0.836 1026 L CB 0.608 42.579 42.059 -0.147 0.000 1.112 1026 L HN 0.617 nan 8.230 nan 0.000 0.465 1027 R N 3.710 124.212 120.500 0.003 0.000 2.489 1027 R HA -0.010 4.331 4.340 0.002 0.000 0.287 1027 R C -1.185 175.170 176.300 0.092 0.000 1.053 1027 R CA -0.107 56.023 56.100 0.050 0.000 1.036 1027 R CB 0.332 30.648 30.300 0.026 0.000 0.966 1027 R HN 0.454 nan 8.270 nan 0.000 0.432 1028 F N 4.644 124.586 119.950 -0.013 0.000 2.303 1028 F HA 0.450 4.978 4.527 0.002 0.000 0.368 1028 F C 0.034 175.835 175.800 0.000 0.000 1.105 1028 F CA 0.114 58.110 58.000 -0.007 0.000 1.153 1028 F CB 0.880 39.877 39.000 -0.004 0.000 1.362 1028 F HN 0.701 nan 8.300 nan 0.000 0.511 1029 G N 3.381 112.117 108.800 -0.106 0.000 2.630 1029 G HA2 0.413 4.374 3.960 0.002 0.000 0.296 1029 G HA3 0.413 4.374 3.960 0.002 0.000 0.296 1029 G C 0.049 174.886 174.900 -0.106 0.000 1.285 1029 G CA -0.414 44.658 45.100 -0.046 0.000 0.958 1029 G HN 0.515 nan 8.290 nan 0.000 0.479 1030 E N 0.106 120.282 120.200 -0.039 0.000 2.850 1030 E HA -0.445 3.906 4.350 0.002 0.000 0.229 1030 E C 1.982 178.536 176.600 -0.077 0.000 0.946 1030 E CA 2.599 58.976 56.400 -0.038 0.000 1.521 1030 E CB -0.806 28.878 29.700 -0.025 0.000 1.475 1030 E HN 0.447 nan 8.360 nan 0.000 0.464 1031 M N 0.002 119.539 119.600 -0.106 0.000 2.358 1031 M HA -0.088 4.393 4.480 0.002 0.000 0.264 1031 M C 1.603 177.802 176.300 -0.168 0.000 1.064 1031 M CA 1.711 56.942 55.300 -0.114 0.000 1.093 1031 M CB -0.298 32.241 32.600 -0.102 0.000 1.401 1031 M HN 0.144 nan 8.290 nan 0.000 0.440 1032 E N 0.072 120.093 120.200 -0.298 0.000 2.190 1032 E HA -0.082 4.269 4.350 0.002 0.000 0.191 1032 E C 1.835 178.260 176.600 -0.292 0.000 0.978 1032 E CA 0.688 56.780 56.400 -0.513 0.000 0.839 1032 E CB -0.022 28.963 29.700 -1.193 0.000 0.787 1032 E HN 0.505 nan 8.360 nan 0.000 0.473 1033 R N 1.040 121.485 120.500 -0.092 0.000 2.073 1033 R HA -0.099 4.242 4.340 0.002 0.000 0.234 1033 R C 1.308 177.644 176.300 0.060 0.000 1.134 1033 R CA 1.733 57.914 56.100 0.136 0.000 0.952 1033 R CB -0.717 29.680 30.300 0.161 0.000 0.850 1033 R HN -0.061 nan 8.270 nan 0.000 0.433 1034 D N 0.560 120.959 120.400 -0.002 0.000 2.263 1034 D HA -0.250 4.392 4.640 0.002 0.000 0.193 1034 D C 1.661 177.951 176.300 -0.016 0.000 1.013 1034 D CA 1.532 55.521 54.000 -0.017 0.000 0.892 1034 D CB -0.638 40.135 40.800 -0.045 0.000 0.909 1034 D HN 0.354 nan 8.370 nan 0.000 0.449 1035 C N -0.291 119.003 119.300 -0.010 0.000 2.456 1035 C HA 0.057 4.518 4.460 0.002 0.000 0.279 1035 C C 2.129 177.202 174.990 0.138 0.000 1.427 1035 C CA 0.111 59.137 59.018 0.013 0.000 1.778 1035 C CB -0.760 26.985 27.740 0.008 0.000 1.842 1035 C HN 0.330 nan 8.230 nan 0.000 0.531 1036 L N -0.623 120.703 121.223 0.173 0.000 2.906 1036 L HA 0.288 4.629 4.340 0.002 0.000 0.255 1036 L C 1.259 178.228 176.870 0.165 0.000 1.166 1036 L CA 0.372 55.355 54.840 0.239 0.000 0.977 1036 L CB -0.049 42.151 42.059 0.235 0.000 1.313 1036 L HN 0.305 nan 8.230 nan 0.000 0.549 1037 I N -1.190 119.439 120.570 0.099 0.000 3.939 1037 I HA 0.139 4.310 4.170 0.002 0.000 0.313 1037 I C 2.426 178.565 176.117 0.037 0.000 1.274 1037 I CA 0.523 61.862 61.300 0.066 0.000 1.301 1037 I CB -0.070 37.955 38.000 0.041 0.000 1.105 1037 I HN 0.107 nan 8.210 nan 0.000 0.427 1038 G N 1.934 110.730 108.800 -0.007 0.000 2.433 1038 G HA2 -0.125 3.836 3.960 0.002 0.000 0.216 1038 G HA3 -0.125 3.836 3.960 0.002 0.000 0.216 1038 G C 0.650 175.501 174.900 -0.081 0.000 1.186 1038 G CA 0.307 45.351 45.100 -0.094 0.000 0.779 1038 G HN 0.142 nan 8.290 nan 0.000 0.543 1039 F N 0.392 120.349 119.950 0.011 0.000 2.450 1039 F HA 0.403 4.931 4.527 0.002 0.000 0.339 1039 F C 1.525 177.331 175.800 0.011 0.000 1.146 1039 F CA -0.214 57.793 58.000 0.011 0.000 1.267 1039 F CB 1.292 40.302 39.000 0.017 0.000 1.178 1039 F HN 0.057 nan 8.300 nan 0.000 0.585 1040 G N 0.860 109.806 108.800 0.243 0.000 3.709 1040 G HA2 0.043 4.005 3.960 0.002 0.000 0.272 1040 G HA3 0.043 4.005 3.960 0.002 0.000 0.272 1040 G C 0.040 174.991 174.900 0.085 0.000 1.259 1040 G CA -0.131 45.041 45.100 0.121 0.000 1.512 1040 G HN 0.552 nan 8.290 nan 0.000 0.625 1041 T N 0.305 114.921 114.554 0.102 0.000 3.316 1041 T HA 0.500 4.851 4.350 0.002 0.000 0.341 1041 T C 1.589 176.308 174.700 0.030 0.000 1.397 1041 T CA 0.233 62.355 62.100 0.037 0.000 1.085 1041 T CB 0.312 69.176 68.868 -0.008 0.000 1.160 1041 T HN 0.244 nan 8.240 nan 0.000 0.694 1042 A N 5.590 128.419 122.820 0.016 0.000 1.929 1042 A HA 0.088 4.409 4.320 0.002 0.000 0.216 1042 A C 2.237 179.814 177.584 -0.011 0.000 1.176 1042 A CA 0.706 52.747 52.037 0.007 0.000 0.628 1042 A CB -0.291 18.711 19.000 0.003 0.000 0.816 1042 A HN 0.661 nan 8.150 nan 0.000 0.444 1043 M N -1.097 118.491 119.600 -0.020 0.000 2.236 1043 M HA 0.021 4.503 4.480 0.002 0.000 0.266 1043 M C 2.120 178.394 176.300 -0.044 0.000 1.070 1043 M CA 0.978 56.259 55.300 -0.033 0.000 1.137 1043 M CB -1.181 31.399 32.600 -0.033 0.000 1.378 1043 M HN 0.435 nan 8.290 nan 0.000 0.426 1044 L N 1.052 122.249 121.223 -0.043 0.000 1.989 1044 L HA -0.180 4.161 4.340 0.002 0.000 0.211 1044 L C 2.262 179.088 176.870 -0.075 0.000 1.071 1044 L CA 1.643 56.448 54.840 -0.057 0.000 0.749 1044 L CB -0.830 41.202 42.059 -0.045 0.000 0.890 1044 L HN 0.388 nan 8.230 nan 0.000 0.431 1045 L N -1.528 119.672 121.223 -0.038 0.000 2.549 1045 L HA -0.137 4.204 4.340 0.002 0.000 0.229 1045 L C 2.209 179.041 176.870 -0.064 0.000 1.158 1045 L CA 1.215 56.033 54.840 -0.037 0.000 0.842 1045 L CB -0.480 41.606 42.059 0.044 0.000 0.952 1045 L HN 0.289 nan 8.230 nan 0.000 0.452 1046 K N -0.083 120.279 120.400 -0.064 0.000 2.361 1046 K HA -0.116 4.205 4.320 0.002 0.000 0.196 1046 K C 0.835 177.381 176.600 -0.089 0.000 1.039 1046 K CA 0.851 57.097 56.287 -0.067 0.000 1.001 1046 K CB 0.205 32.672 32.500 -0.054 0.000 0.795 1046 K HN 0.349 nan 8.250 nan 0.000 0.495 1047 D N -0.077 120.258 120.400 -0.109 0.000 2.370 1047 D HA 0.031 4.672 4.640 0.002 0.000 0.230 1047 D C 0.933 177.123 176.300 -0.184 0.000 1.143 1047 D CA 0.179 54.107 54.000 -0.120 0.000 0.834 1047 D CB 0.390 41.128 40.800 -0.103 0.000 0.944 1047 D HN -0.012 nan 8.370 nan 0.000 0.504 1048 R N -1.209 119.150 120.500 -0.235 0.000 2.424 1048 R HA 0.190 4.532 4.340 0.002 0.000 0.175 1048 R C 0.926 177.019 176.300 -0.346 0.000 0.929 1048 R CA 0.257 56.098 56.100 -0.431 0.000 1.790 1048 R CB -0.523 29.348 30.300 -0.716 0.000 1.653 1048 R HN 0.205 nan 8.270 nan 0.000 0.487 1049 L N -0.420 120.701 121.223 -0.170 0.000 2.408 1049 L HA 0.501 4.842 4.340 0.002 0.000 0.215 1049 L C 1.088 177.934 176.870 -0.040 0.000 1.081 1049 L CA 1.400 56.209 54.840 -0.052 0.000 0.840 1049 L CB 0.408 42.461 42.059 -0.010 0.000 1.002 1049 L HN 0.223 nan 8.230 nan 0.000 0.468 1050 L N -3.211 117.975 121.223 -0.062 0.000 3.122 1050 L HA 0.341 4.683 4.340 0.002 0.000 0.296 1050 L C 1.059 177.902 176.870 -0.045 0.000 1.040 1050 L CA 0.376 55.191 54.840 -0.042 0.000 1.164 1050 L CB -0.165 41.866 42.059 -0.047 0.000 1.990 1050 L HN -0.134 nan 8.230 nan 0.000 0.579 1051 D N 1.325 121.687 120.400 -0.063 0.000 2.264 1051 D HA -0.049 4.593 4.640 0.002 0.000 0.208 1051 D C 0.169 176.436 176.300 -0.054 0.000 0.966 1051 D CA 1.119 55.085 54.000 -0.057 0.000 0.864 1051 D CB 0.017 40.779 40.800 -0.064 0.000 0.933 1051 D HN 0.460 nan 8.370 nan 0.000 0.499 1052 N N -1.059 117.601 118.700 -0.066 0.000 2.598 1052 N HA 0.265 5.006 4.740 0.002 0.000 0.309 1052 N C -0.233 175.253 175.510 -0.039 0.000 1.645 1052 N CA -0.122 52.894 53.050 -0.057 0.000 0.936 1052 N CB 1.379 39.822 38.487 -0.074 0.000 1.323 1052 N HN -0.208 nan 8.380 nan 0.000 0.497 1053 S N -1.079 114.607 115.700 -0.023 0.000 3.640 1053 S HA 0.139 4.610 4.470 0.002 0.000 0.246 1053 S C 0.303 174.909 174.600 0.011 0.000 1.133 1053 S CA -0.083 58.117 58.200 -0.000 0.000 0.882 1053 S CB 0.839 64.049 63.200 0.016 0.000 1.015 1053 S HN 0.247 nan 8.310 nan 0.000 0.469 1054 D N 0.272 120.683 120.400 0.019 0.000 3.093 1054 D HA 0.313 4.954 4.640 0.002 0.000 0.206 1054 D C 0.654 176.973 176.300 0.031 0.000 1.512 1054 D CA 0.209 54.239 54.000 0.050 0.000 1.420 1054 D CB 0.340 41.207 40.800 0.111 0.000 1.166 1054 D HN 0.103 nan 8.370 nan 0.000 0.285 1055 R N -0.130 120.380 120.500 0.017 0.000 2.299 1055 R HA -0.154 4.187 4.340 0.002 0.000 0.153 1055 R C -0.066 176.231 176.300 -0.005 0.000 0.885 1055 R CA 1.605 57.701 56.100 -0.007 0.000 1.883 1055 R CB -2.466 27.823 30.300 -0.018 0.000 0.864 1055 R HN 0.216 nan 8.270 nan 0.000 0.666 1056 T N 3.102 117.668 114.554 0.020 0.000 2.155 1056 T HA -0.207 4.144 4.350 0.002 0.000 0.227 1056 T C 0.503 175.174 174.700 -0.048 0.000 1.026 1056 T CA 0.935 63.047 62.100 0.020 0.000 1.465 1056 T CB -0.012 68.927 68.868 0.118 0.000 1.016 1056 T HN 0.128 nan 8.240 nan 0.000 0.405 1057 M N 3.630 123.170 119.600 -0.100 0.000 2.200 1057 M HA 0.366 4.847 4.480 0.002 0.000 0.355 1057 M C 0.276 176.361 176.300 -0.358 0.000 1.283 1057 M CA 0.358 55.514 55.300 -0.241 0.000 1.124 1057 M CB 0.167 32.600 32.600 -0.279 0.000 1.625 1057 M HN 0.536 nan 8.290 nan 0.000 0.463 1058 I N 3.061 123.354 120.570 -0.461 0.000 2.647 1058 I HA 0.375 4.546 4.170 0.002 0.000 0.295 1058 I C -1.336 174.441 176.117 -0.567 0.000 1.078 1058 I CA -0.772 60.287 61.300 -0.402 0.000 1.048 1058 I CB 2.343 40.251 38.000 -0.154 0.000 1.239 1058 I HN 0.481 nan 8.210 nan 0.000 0.421 1059 Y N 3.830 123.926 120.300 -0.339 0.000 2.446 1059 Y HA 0.741 5.292 4.550 0.002 0.000 0.338 1059 Y C -0.261 175.568 175.900 -0.118 0.000 1.055 1059 Y CA -1.022 56.882 58.100 -0.327 0.000 1.101 1059 Y CB 1.832 39.721 38.460 -0.953 0.000 1.221 1059 Y HN 0.085 nan 8.280 nan 0.000 0.460 1060 V N 1.599 121.646 119.914 0.222 0.000 2.760 1060 V HA 0.280 4.401 4.120 0.002 0.000 0.309 1060 V C -0.491 175.729 176.094 0.210 0.000 1.077 1060 V CA -1.265 61.138 62.300 0.171 0.000 0.910 1060 V CB 1.809 33.668 31.823 0.059 0.000 1.008 1060 V HN 1.019 nan 8.190 nan 0.000 0.424 1061 C N 3.005 122.409 119.300 0.173 0.000 2.601 1061 C HA 0.263 4.724 4.460 0.002 0.000 0.409 1061 C C 1.603 176.595 174.990 0.003 0.000 1.293 1061 C CA 0.242 59.337 59.018 0.127 0.000 2.101 1061 C CB 0.002 27.820 27.740 0.130 0.000 2.639 1061 C HN 1.047 nan 8.230 nan 0.000 0.592 1062 D N 1.155 121.541 120.400 -0.022 0.000 2.075 1062 D HA -0.116 4.525 4.640 0.002 0.000 0.196 1062 D C 2.026 178.281 176.300 -0.075 0.000 0.985 1062 D CA 1.712 55.650 54.000 -0.105 0.000 0.834 1062 D CB -0.108 40.638 40.800 -0.090 0.000 0.987 1062 D HN 0.779 nan 8.370 nan 0.000 0.452 1063 Q N -0.549 119.233 119.800 -0.031 0.000 2.046 1063 Q HA -0.052 4.289 4.340 0.002 0.000 0.200 1063 Q C 1.113 177.084 176.000 -0.048 0.000 0.975 1063 Q CA 1.309 57.096 55.803 -0.027 0.000 0.836 1063 Q CB 0.031 28.772 28.738 0.005 0.000 0.896 1063 Q HN 0.496 nan 8.270 nan 0.000 0.428 1064 C N -1.472 117.808 119.300 -0.033 0.000 2.887 1064 C HA 0.598 5.059 4.460 0.002 0.000 0.240 1064 C C 0.915 175.824 174.990 -0.136 0.000 1.872 1064 C CA -1.007 57.965 59.018 -0.076 0.000 1.626 1064 C CB -0.668 27.142 27.740 0.118 0.000 3.115 1064 C HN 0.314 nan 8.230 nan 0.000 0.488 1065 G N 1.045 109.752 108.800 -0.156 0.000 2.444 1065 G HA2 0.199 4.160 3.960 0.002 0.000 0.289 1065 G HA3 0.199 4.160 3.960 0.002 0.000 0.289 1065 G C -0.000 174.810 174.900 -0.150 0.000 0.814 1065 G CA 0.715 45.760 45.100 -0.092 0.000 1.820 1065 G HN 0.776 nan 8.290 nan 0.000 0.453 1066 Y N 1.755 122.083 120.300 0.047 0.000 2.781 1066 Y HA 0.383 4.935 4.550 0.002 0.000 0.182 1066 Y C 1.604 177.514 175.900 0.017 0.000 0.949 1066 Y CA -0.578 57.539 58.100 0.028 0.000 1.525 1066 Y CB 0.051 38.531 38.460 0.034 0.000 1.138 1066 Y HN 0.430 nan 8.280 nan 0.000 0.454 1067 I N 0.332 121.050 120.570 0.246 0.000 3.276 1067 I HA 0.346 4.517 4.170 0.002 0.000 0.306 1067 I C 0.959 177.126 176.117 0.083 0.000 1.060 1067 I CA 0.048 61.416 61.300 0.113 0.000 1.133 1067 I CB 0.508 38.557 38.000 0.083 0.000 1.473 1067 I HN 0.354 nan 8.210 nan 0.000 0.649 1068 G N 1.563 110.372 108.800 0.015 0.000 2.486 1068 G HA2 0.229 4.190 3.960 0.002 0.000 0.272 1068 G HA3 0.229 4.190 3.960 0.002 0.000 0.272 1068 G C -0.823 174.030 174.900 -0.077 0.000 1.426 1068 G CA 0.004 45.064 45.100 -0.067 0.000 1.058 1068 G HN 0.878 nan 8.290 nan 0.000 0.531 1069 W N -2.980 118.236 121.300 -0.140 0.000 3.163 1069 W HA 0.490 5.151 4.660 0.002 0.000 0.395 1069 W C -1.669 174.581 176.519 -0.449 0.000 1.100 1069 W CA -1.202 55.796 57.345 -0.578 0.000 1.134 1069 W CB 0.646 29.811 29.460 -0.493 0.000 1.496 1069 W HN 0.387 nan 8.180 nan 0.000 0.605 1070 Y N 2.686 123.445 120.300 0.765 0.000 2.676 1070 Y HA 0.226 4.778 4.550 0.002 0.000 0.338 1070 Y C -0.179 176.054 175.900 0.554 0.000 1.057 1070 Y CA -0.453 57.916 58.100 0.449 0.000 1.314 1070 Y CB -0.542 38.053 38.460 0.226 0.000 1.164 1070 Y HN 0.168 nan 8.280 nan 0.000 0.509 1071 D N 1.524 122.230 120.400 0.509 0.000 3.009 1071 D HA -0.238 4.403 4.640 0.002 0.000 0.075 1071 D C -0.129 176.447 176.300 0.460 0.000 0.972 1071 D CA 0.687 54.913 54.000 0.375 0.000 0.517 1071 D CB 0.652 41.593 40.800 0.235 0.000 0.736 1071 D HN 0.589 nan 8.370 nan 0.000 0.261 1072 K N 1.782 122.407 120.400 0.375 0.000 3.358 1072 K HA -0.029 4.292 4.320 0.002 0.000 0.297 1072 K C 0.474 177.176 176.600 0.169 0.000 1.064 1072 K CA -0.098 56.361 56.287 0.288 0.000 1.144 1072 K CB -0.964 31.707 32.500 0.286 0.000 1.289 1072 K HN 0.409 nan 8.250 nan 0.000 0.372 1073 N N 1.608 120.392 118.700 0.141 0.000 2.497 1073 N HA -0.002 4.739 4.740 0.002 0.000 0.271 1073 N C -0.074 175.454 175.510 0.029 0.000 1.142 1073 N CA -0.210 52.891 53.050 0.085 0.000 0.965 1073 N CB 0.894 39.435 38.487 0.090 0.000 1.077 1073 N HN -0.053 nan 8.380 nan 0.000 0.462 1074 K N 1.195 121.607 120.400 0.020 0.000 2.960 1074 K HA -0.238 4.083 4.320 0.002 0.000 0.259 1074 K C -0.496 176.086 176.600 -0.030 0.000 1.025 1074 K CA 0.536 56.819 56.287 -0.008 0.000 0.756 1074 K CB -1.638 30.846 32.500 -0.027 0.000 1.221 1074 K HN 0.887 nan 8.250 nan 0.000 0.483 1075 N N -0.098 118.609 118.700 0.013 0.000 2.707 1075 N HA -0.230 4.511 4.740 0.002 0.000 0.253 1075 N C 0.612 175.985 175.510 -0.228 0.000 0.998 1075 N CA 1.539 54.615 53.050 0.043 0.000 0.751 1075 N CB -0.400 38.148 38.487 0.100 0.000 0.920 1075 N HN 0.586 nan 8.380 nan 0.000 0.539 1076 K N -0.184 120.009 120.400 -0.345 0.000 2.335 1076 K HA -0.021 4.300 4.320 0.002 0.000 0.195 1076 K C 0.245 176.236 176.600 -1.015 0.000 1.058 1076 K CA 0.344 56.246 56.287 -0.642 0.000 0.988 1076 K CB 0.054 32.378 32.500 -0.294 0.000 0.880 1076 K HN 0.429 nan 8.250 nan 0.000 0.513 1077 Y N -0.207 119.871 120.300 -0.371 0.000 3.007 1077 Y HA -0.220 4.331 4.550 0.002 0.000 0.212 1077 Y C -0.666 174.349 175.900 -1.475 0.000 1.180 1077 Y CA -0.495 56.929 58.100 -1.127 0.000 1.076 1077 Y CB -2.874 34.974 38.460 -1.020 0.000 1.254 1077 Y HN -0.229 nan 8.280 nan 0.000 0.534 1078 V N 2.452 121.972 119.914 -0.658 0.000 2.407 1078 V HA 0.307 4.428 4.120 0.002 0.000 0.278 1078 V C 0.862 176.806 176.094 -0.250 0.000 1.037 1078 V CA -0.706 61.377 62.300 -0.361 0.000 0.900 1078 V CB 1.111 32.901 31.823 -0.054 0.000 0.983 1078 V HN 0.888 nan 8.190 nan 0.000 0.459 1079 C N 7.555 126.732 119.300 -0.205 0.000 2.580 1079 C HA 0.393 4.854 4.460 0.002 0.000 0.371 1079 C C -0.801 174.278 174.990 0.149 0.000 1.308 1079 C CA -1.430 57.613 59.018 0.042 0.000 2.428 1079 C CB 0.771 28.595 27.740 0.139 0.000 2.529 1079 C HN 0.810 nan 8.230 nan 0.000 0.657 1080 P HA 0.037 nan 4.420 nan 0.000 0.231 1080 P C -0.339 177.065 177.300 0.174 0.000 1.154 1080 P CA 1.377 64.591 63.100 0.190 0.000 0.762 1080 P CB -0.384 31.413 31.700 0.162 0.000 0.790 1081 I N -0.403 120.273 120.570 0.177 0.000 2.503 1081 I HA 0.211 4.382 4.170 0.002 0.000 0.282 1081 I C 0.763 176.977 176.117 0.162 0.000 1.059 1081 I CA -1.036 60.370 61.300 0.177 0.000 1.081 1081 I CB 1.358 39.439 38.000 0.135 0.000 1.210 1081 I HN 0.007 nan 8.210 nan 0.000 0.450 1082 H N 4.336 123.425 119.070 0.032 0.000 2.748 1082 H HA 0.534 5.091 4.556 0.002 0.000 0.288 1082 H C 0.638 175.954 175.328 -0.021 0.000 1.539 1082 H CA -0.325 55.723 56.048 -0.000 0.000 1.577 1082 H CB 0.879 30.646 29.762 0.009 0.000 1.721 1082 H HN 0.716 nan 8.280 nan 0.000 0.869 1083 G N 0.877 109.535 108.800 -0.236 0.000 2.326 1083 G HA2 -0.254 3.707 3.960 0.002 0.000 0.286 1083 G HA3 -0.254 3.707 3.960 0.002 0.000 0.286 1083 G C 0.025 174.826 174.900 -0.165 0.000 1.096 1083 G CA 0.663 45.587 45.100 -0.294 0.000 1.003 1083 G HN 0.858 nan 8.290 nan 0.000 0.503 1084 D N -1.504 118.829 120.400 -0.111 0.000 2.845 1084 D HA -0.213 4.428 4.640 0.002 0.000 0.167 1084 D C 1.229 177.550 176.300 0.035 0.000 1.672 1084 D CA 2.214 56.220 54.000 0.010 0.000 1.924 1084 D CB -0.774 40.034 40.800 0.013 0.000 1.372 1084 D HN 0.900 nan 8.370 nan 0.000 0.423 1085 K N 1.156 121.537 120.400 -0.031 0.000 2.591 1085 K HA -0.022 4.299 4.320 0.002 0.000 0.280 1085 K C 1.269 177.884 176.600 0.025 0.000 0.964 1085 K CA 1.929 58.207 56.287 -0.015 0.000 1.014 1085 K CB 0.346 32.815 32.500 -0.053 0.000 0.877 1085 K HN 0.494 nan 8.250 nan 0.000 0.502 1086 S N 0.853 116.575 115.700 0.037 0.000 2.025 1086 S HA -0.352 4.119 4.470 0.002 0.000 0.231 1086 S C 0.316 174.973 174.600 0.095 0.000 1.075 1086 S CA 1.236 59.470 58.200 0.057 0.000 1.586 1086 S CB -1.822 61.414 63.200 0.059 0.000 2.055 1086 S HN 1.123 nan 8.310 nan 0.000 0.569 1087 N N 0.413 119.171 118.700 0.097 0.000 4.654 1087 N HA -0.157 4.585 4.740 0.002 0.000 0.343 1087 N C -1.109 174.524 175.510 0.206 0.000 1.678 1087 N CA 1.200 54.316 53.050 0.110 0.000 2.945 1087 N CB -0.596 37.965 38.487 0.123 0.000 0.396 1087 N HN 0.725 nan 8.380 nan 0.000 0.828 1088 L N 2.451 123.801 121.223 0.212 0.000 2.370 1088 L HA 0.635 4.976 4.340 0.002 0.000 0.266 1088 L C -0.687 176.521 176.870 0.564 0.000 1.002 1088 L CA -0.612 54.505 54.840 0.461 0.000 0.818 1088 L CB 1.675 44.121 42.059 0.645 0.000 1.325 1088 L HN 0.367 nan 8.230 nan 0.000 0.418 1089 F N 1.684 121.777 119.950 0.239 0.000 2.469 1089 F HA 0.533 5.061 4.527 0.002 0.000 0.332 1089 F C -2.114 173.782 175.800 0.161 0.000 1.103 1089 F CA -2.172 55.922 58.000 0.158 0.000 0.979 1089 F CB 1.999 41.043 39.000 0.074 0.000 1.137 1089 F HN 0.179 nan 8.300 nan 0.000 0.463 1090 P HA 0.341 nan 4.420 nan 0.000 0.281 1090 P C -1.374 175.856 177.300 -0.116 0.000 1.249 1090 P CA -0.508 62.499 63.100 -0.155 0.000 0.810 1090 P CB 2.039 33.628 31.700 -0.185 0.000 1.008 1091 V N 1.977 121.752 119.914 -0.232 0.000 2.752 1091 V HA 0.256 4.377 4.120 0.002 0.000 0.302 1091 V C -0.873 175.127 176.094 -0.157 0.000 1.133 1091 V CA -0.417 61.804 62.300 -0.131 0.000 0.919 1091 V CB 2.172 33.958 31.823 -0.062 0.000 1.026 1091 V HN 0.508 nan 8.190 nan 0.000 0.429 1092 T N 5.801 120.286 114.554 -0.115 0.000 2.751 1092 T HA 0.537 4.888 4.350 0.002 0.000 0.290 1092 T C -0.360 174.289 174.700 -0.085 0.000 0.919 1092 T CA -0.018 62.023 62.100 -0.099 0.000 1.136 1092 T CB 0.575 69.397 68.868 -0.077 0.000 0.875 1092 T HN 0.539 nan 8.240 nan 0.000 0.532 1093 V N 2.637 122.508 119.914 -0.072 0.000 2.932 1093 V HA 0.421 4.542 4.120 0.002 0.000 0.307 1093 V C 0.161 176.250 176.094 -0.008 0.000 1.147 1093 V CA -1.170 61.092 62.300 -0.063 0.000 0.951 1093 V CB 2.432 34.217 31.823 -0.063 0.000 1.031 1093 V HN 0.905 nan 8.190 nan 0.000 0.426 1094 S N 3.308 119.003 115.700 -0.010 0.000 2.546 1094 S HA -0.004 4.468 4.470 0.002 0.000 0.290 1094 S C 0.975 175.658 174.600 0.138 0.000 1.262 1094 S CA 0.324 58.559 58.200 0.058 0.000 1.083 1094 S CB -0.068 63.151 63.200 0.033 0.000 0.859 1094 S HN 0.825 nan 8.310 nan 0.000 0.495 1095 Y N 5.322 125.648 120.300 0.044 0.000 2.228 1095 Y HA -0.247 4.304 4.550 0.002 0.000 0.285 1095 Y C 2.224 178.174 175.900 0.083 0.000 1.178 1095 Y CA 2.177 60.309 58.100 0.055 0.000 1.202 1095 Y CB -0.828 37.650 38.460 0.030 0.000 0.974 1095 Y HN 0.906 nan 8.280 nan 0.000 0.527 1096 A N -0.137 122.780 122.820 0.161 0.000 1.958 1096 A HA -0.272 4.049 4.320 0.002 0.000 0.221 1096 A C 2.102 179.722 177.584 0.060 0.000 1.178 1096 A CA 1.936 54.035 52.037 0.103 0.000 0.642 1096 A CB -1.452 17.633 19.000 0.142 0.000 0.816 1096 A HN 0.588 nan 8.150 nan 0.000 0.453 1097 F N 0.563 120.454 119.950 -0.099 0.000 2.084 1097 F HA -0.114 4.414 4.527 0.002 0.000 0.296 1097 F C 2.350 178.046 175.800 -0.173 0.000 1.111 1097 F CA 1.914 59.851 58.000 -0.105 0.000 1.224 1097 F CB -0.270 38.688 39.000 -0.071 0.000 0.991 1097 F HN 0.185 nan 8.300 nan 0.000 0.471 1098 K N 0.984 121.300 120.400 -0.139 0.000 2.077 1098 K HA -0.247 4.074 4.320 0.002 0.000 0.213 1098 K C 2.090 178.474 176.600 -0.361 0.000 1.051 1098 K CA 2.171 58.286 56.287 -0.286 0.000 0.929 1098 K CB -0.965 31.308 32.500 -0.378 0.000 0.715 1098 K HN 0.384 nan 8.250 nan 0.000 0.451 1099 L N 0.483 121.426 121.223 -0.466 0.000 1.955 1099 L HA -0.244 4.097 4.340 0.002 0.000 0.213 1099 L C 2.748 179.486 176.870 -0.220 0.000 1.072 1099 L CA 1.191 55.851 54.840 -0.301 0.000 0.755 1099 L CB -0.741 41.182 42.059 -0.226 0.000 0.888 1099 L HN 0.183 nan 8.230 nan 0.000 0.432 1100 L N 0.026 121.106 121.223 -0.238 0.000 1.978 1100 L HA -0.283 4.059 4.340 0.002 0.000 0.218 1100 L C 2.499 179.203 176.870 -0.277 0.000 1.075 1100 L CA 1.853 56.549 54.840 -0.240 0.000 0.767 1100 L CB -0.619 41.270 42.059 -0.284 0.000 0.890 1100 L HN 0.098 nan 8.230 nan 0.000 0.434 1101 I N -0.402 119.921 120.570 -0.412 0.000 2.103 1101 I HA -0.443 3.728 4.170 0.002 0.000 0.241 1101 I C 2.593 178.614 176.117 -0.161 0.000 1.036 1101 I CA 2.143 63.253 61.300 -0.316 0.000 1.300 1101 I CB -1.386 36.436 38.000 -0.297 0.000 1.010 1101 I HN 0.528 nan 8.210 nan 0.000 0.406 1102 Q N 0.274 119.990 119.800 -0.140 0.000 2.014 1102 Q HA -0.267 4.074 4.340 0.002 0.000 0.207 1102 Q C 2.162 178.117 176.000 -0.074 0.000 0.993 1102 Q CA 2.057 57.810 55.803 -0.084 0.000 0.850 1102 Q CB -0.273 28.421 28.738 -0.074 0.000 0.916 1102 Q HN 0.560 nan 8.270 nan 0.000 0.417 1103 E N 0.698 120.847 120.200 -0.085 0.000 2.065 1103 E HA -0.222 4.130 4.350 0.002 0.000 0.201 1103 E C 2.066 178.631 176.600 -0.058 0.000 1.016 1103 E CA 1.292 57.655 56.400 -0.063 0.000 0.818 1103 E CB -0.239 29.424 29.700 -0.062 0.000 0.749 1103 E HN 0.260 nan 8.360 nan 0.000 0.453 1104 L N 0.032 121.209 121.223 -0.077 0.000 2.013 1104 L HA -0.287 4.055 4.340 0.002 0.000 0.212 1104 L C 2.572 179.418 176.870 -0.040 0.000 1.073 1104 L CA 1.345 56.150 54.840 -0.060 0.000 0.753 1104 L CB -0.403 41.608 42.059 -0.080 0.000 0.890 1104 L HN 0.260 nan 8.230 nan 0.000 0.432 1105 M N -0.505 119.069 119.600 -0.043 0.000 2.065 1105 M HA -0.216 4.265 4.480 0.002 0.000 0.259 1105 M C 2.520 178.793 176.300 -0.045 0.000 1.071 1105 M CA 2.359 57.635 55.300 -0.040 0.000 1.109 1105 M CB -0.558 32.013 32.600 -0.048 0.000 1.313 1105 M HN 0.347 nan 8.290 nan 0.000 0.408 1106 S N 0.107 115.783 115.700 -0.041 0.000 2.442 1106 S HA -0.162 4.310 4.470 0.002 0.000 0.236 1106 S C 1.734 176.318 174.600 -0.026 0.000 1.007 1106 S CA 1.315 59.495 58.200 -0.033 0.000 0.965 1106 S CB -0.729 62.455 63.200 -0.026 0.000 0.773 1106 S HN 0.627 nan 8.310 nan 0.000 0.504 1107 M N 1.539 121.124 119.600 -0.026 0.000 2.495 1107 M HA 0.257 4.738 4.480 0.002 0.000 0.237 1107 M C -0.565 175.725 176.300 -0.016 0.000 1.131 1107 M CA 0.324 55.613 55.300 -0.019 0.000 1.032 1107 M CB -0.140 32.449 32.600 -0.019 0.000 1.513 1107 M HN 0.149 nan 8.290 nan 0.000 0.488 1108 I N 0.524 121.082 120.570 -0.021 0.000 6.027 1108 I HA -0.221 3.950 4.170 0.002 0.000 0.126 1108 I C -1.306 174.809 176.117 -0.004 0.000 1.820 1108 I CA 0.205 61.495 61.300 -0.017 0.000 2.038 1108 I CB -3.052 34.940 38.000 -0.014 0.000 3.426 1108 I HN 0.172 nan 8.210 nan 0.000 0.169 1109 I N 1.370 121.939 120.570 -0.002 0.000 2.377 1109 I HA 0.357 4.528 4.170 0.002 0.000 0.293 1109 I C 1.050 177.195 176.117 0.047 0.000 0.987 1109 I CA -1.101 60.209 61.300 0.015 0.000 1.185 1109 I CB 1.826 39.827 38.000 0.001 0.000 1.341 1109 I HN 0.394 nan 8.210 nan 0.000 0.455 1110 S N 7.389 123.145 115.700 0.093 0.000 2.439 1110 S HA 0.643 5.114 4.470 0.002 0.000 0.282 1110 S C -2.436 172.262 174.600 0.163 0.000 1.170 1110 S CA -0.951 57.387 58.200 0.229 0.000 1.054 1110 S CB 0.550 63.918 63.200 0.279 0.000 0.956 1110 S HN 0.475 nan 8.310 nan 0.000 0.490 1111 P HA 0.403 nan 4.420 nan 0.000 0.199 1111 P C -1.001 176.290 177.300 -0.015 0.000 1.855 1111 P CA -0.527 62.603 63.100 0.051 0.000 1.268 1111 P CB 0.405 32.108 31.700 0.005 0.000 1.630 1112 R N 2.853 123.269 120.500 -0.140 0.000 2.205 1112 R HA 0.346 4.687 4.340 0.002 0.000 0.342 1112 R C -0.217 176.005 176.300 -0.130 0.000 1.058 1112 R CA -0.844 55.094 56.100 -0.271 0.000 0.904 1112 R CB 0.534 30.552 30.300 -0.470 0.000 1.089 1112 R HN 0.268 nan 8.270 nan 0.000 0.471 1113 L N 3.011 124.189 121.223 -0.077 0.000 2.292 1113 L HA 0.294 4.635 4.340 0.002 0.000 0.284 1113 L C 1.091 177.927 176.870 -0.056 0.000 1.065 1113 L CA -0.658 54.167 54.840 -0.024 0.000 0.806 1113 L CB -0.015 42.071 42.059 0.044 0.000 1.175 1113 L HN 0.235 nan 8.230 nan 0.000 0.431 1114 V N 1.631 121.511 119.914 -0.057 0.000 4.690 1114 V HA 0.640 4.761 4.120 0.002 0.000 0.267 1114 V C 0.176 176.216 176.094 -0.090 0.000 1.088 1114 V CA -0.333 61.917 62.300 -0.084 0.000 0.686 1114 V CB 0.081 31.859 31.823 -0.075 0.000 1.152 1114 V HN 0.801 nan 8.190 nan 0.000 0.353 1115 L N -3.017 118.146 121.223 -0.099 0.000 2.643 1115 L HA 0.758 5.099 4.340 0.002 0.000 0.256 1115 L C -0.772 176.058 176.870 -0.067 0.000 0.931 1115 L CA -0.594 54.185 54.840 -0.103 0.000 0.895 1115 L CB 1.630 43.547 42.059 -0.237 0.000 1.430 1115 L HN 0.699 nan 8.230 nan 0.000 0.419 1116 E N 0.192 120.379 120.200 -0.021 0.000 2.524 1116 E HA 0.461 4.812 4.350 0.002 0.000 0.219 1116 E C -1.117 175.509 176.600 0.044 0.000 0.776 1116 E CA -0.698 55.703 56.400 0.001 0.000 0.944 1116 E CB 1.760 31.457 29.700 -0.006 0.000 1.719 1116 E HN 0.777 nan 8.360 nan 0.000 0.384 1117 D N -0.757 119.666 120.400 0.039 0.000 3.029 1117 D HA 0.179 4.820 4.640 0.002 0.000 0.181 1117 D C -0.181 176.139 176.300 0.034 0.000 1.356 1117 D CA 0.420 54.454 54.000 0.056 0.000 1.532 1117 D CB 0.788 41.620 40.800 0.053 0.000 1.204 1117 D HN 0.473 nan 8.370 nan 0.000 0.184 1118 K N -0.558 119.854 120.400 0.021 0.000 1.739 1118 K HA 0.061 4.382 4.320 0.002 0.000 0.109 1118 K C -0.531 176.074 176.600 0.008 0.000 2.086 1118 K CA -0.023 56.270 56.287 0.010 0.000 0.950 1118 K CB -0.521 31.984 32.500 0.009 0.000 2.241 1118 K HN 0.075 nan 8.250 nan 0.000 0.335 1119 V N 0.000 119.920 119.914 0.010 0.000 2.409 1119 V HA 0.000 4.121 4.120 0.002 0.000 0.244 1119 V CA 0.000 62.305 62.300 0.008 0.000 1.235 1119 V CB 0.000 31.829 31.823 0.011 0.000 1.184 1119 V HN 0.000 nan 8.190 nan 0.000 0.556