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 1s0g_1_A DATA FIRST_RESID 1 DATA SEQUENCE PVTINNFNYN DPIDNNNIIM MEPPFARGTG RYYKAFKITD RIWIIPERYT DATA SEQUENCE FGYKPEDFNK SSGIFNRDVC EYYDPDYLNT NDKKNIFLQT MIKLFNRIKS DATA SEQUENCE KPLGEKLLEM IINGIPYLGD RRVPLEEFNT NIASVTVNKL ISNPGEVERK DATA SEQUENCE KGIFANLIIF GPGPVLNENE TIDIGIQNHF ASREGFGGIM QMKFCPEYVS DATA SEQUENCE VFNNVQENKG ASIFNRRGYF SDPALILMHE LIHVLHGLYG IKVDDLPIVP DATA SEQUENCE NEKKFFMQST DAIQAEELYT FGGQDPSIIT PSTDKSIYDK VLQNFRGIVD DATA SEQUENCE RLNKVLVCIS DPNININIYK NKFKDKYKFV EDSEGKYSID VESFDKLYKS DATA SEQUENCE LMFGFTETNI AENYKIKTRA SYFSDSLPPV KIKNLLDNEI YTIEEGFNIS DATA SEQUENCE DKDMEKEYRG QNKAINKQAY EEISKEHLAV YKIQMCKSVX XPGICIDVDN DATA SEQUENCE EDLFFIADKN SFSDDLSKNE RIEYNTQSNY IENDFPINEL ILDTDLISKI DATA SEQUENCE ELPSENTESL TDFNVDVPVY EKQPAIKKIF TDENTIFQYL YSQTFPLDIR DATA SEQUENCE DISLTSSFDD ALLFSNKVYS FFSMDYIKTA NKVVEAGLFA GWVKQIVNDF DATA SEQUENCE VIEANKSNTM DKIADISLIV PYIGLALNVG NETAKGNFEN AFEIAGASIL DATA SEQUENCE LEFIPELLIP VVGAFLLESY IDNKNKIIKT IDNALTKRNE KWSDMYGLIV DATA SEQUENCE AQWLSTVNTQ FYTIKEGMYK ALNYQAQALE EIIKYRYNIY SEKEKSNINI DATA SEQUENCE DFNDINSKLN EGINQAIDNI NNFINGCSVS YLMKKMIPLA VEKLLDFDNT DATA SEQUENCE LKKNLLNYID ENKLYLIGSA EYEKSKVNKY LKTIMPFDLS IYTNDTILIE DATA SEQUENCE MFNKYNSEIL NNIILNLRYK DNNLIDLSGY GAKVEVYDGV ELNDKNQFKL DATA SEQUENCE TSSANSKIRV TQNQNIIFNS VFLDFSVSFW IRIPKYKNDG IQNYIHNEYT DATA SEQUENCE IINCMKNNSG WKISIRGNRI IWTLIDINGK TKSVFFEYNI REDISEYINR DATA SEQUENCE WFFVTITNNL NNAKIYINGK LESNTDIKDI REVIANGEII FKLDGDIDRT DATA SEQUENCE QFIWMKYFSI FNTELSQSNI EERYKIQSYS EYLKDFWGNP LMYNKEYYMF DATA SEQUENCE NAGNKNSYIK LKKDSPVGEI LTRSKYNQNS KYINYRDLYI GEKFIIRRKS DATA SEQUENCE NSQSINDDIV RKEDYIYLDF FNLNQEWRVY TYKYFKKEEE KLFLAPISDS DATA SEQUENCE DEFYNTIQIK EYDEQPTYSC QLLFKKDEES TDEIGLIGIH RFYESGIVFE DATA SEQUENCE EYKDYFCISK WYLKEVKRKP YNLKLGCNWQ FIPKDEGWTE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.303 177.300 0.005 0.000 1.155 1 P CA 0.000 63.104 63.100 0.007 0.000 0.800 1 P CB 0.000 31.702 31.700 0.004 0.000 0.726 2 V N -0.031 119.890 119.914 0.011 0.000 2.513 2 V HA 0.590 4.714 4.120 0.006 0.000 0.299 2 V C -0.006 176.090 176.094 0.003 0.000 1.035 2 V CA -0.168 62.139 62.300 0.012 0.000 0.889 2 V CB 1.788 33.632 31.823 0.035 0.000 0.988 2 V HN 0.693 nan 8.190 nan 0.000 0.440 3 T N 5.911 120.457 114.554 -0.013 0.000 2.771 3 T HA 0.556 4.910 4.350 0.006 0.000 0.281 3 T C -0.379 174.290 174.700 -0.052 0.000 0.982 3 T CA -0.277 61.804 62.100 -0.031 0.000 0.978 3 T CB 0.783 69.627 68.868 -0.039 0.000 0.930 3 T HN 0.284 nan 8.240 nan 0.000 0.447 4 I N 4.300 124.832 120.570 -0.064 0.000 2.312 4 I HA 0.312 4.485 4.170 0.006 0.000 0.290 4 I C 0.477 176.487 176.117 -0.179 0.000 1.008 4 I CA -0.997 60.236 61.300 -0.112 0.000 1.226 4 I CB 0.713 38.669 38.000 -0.074 0.000 1.371 4 I HN 0.519 nan 8.210 nan 0.000 0.468 5 N N 5.876 124.436 118.700 -0.234 0.000 2.399 5 N HA 0.263 5.007 4.740 0.006 0.000 0.250 5 N C -0.194 174.867 175.510 -0.749 0.000 1.272 5 N CA -0.115 52.726 53.050 -0.348 0.000 0.928 5 N CB 0.836 39.231 38.487 -0.153 0.000 1.158 5 N HN 0.483 nan 8.380 nan 0.000 0.463 6 N N 0.172 118.389 118.700 -0.805 0.000 2.238 6 N HA 0.595 5.339 4.740 0.006 0.000 0.302 6 N C -1.076 173.932 175.510 -0.838 0.000 1.072 6 N CA -0.245 52.295 53.050 -0.851 0.000 0.792 6 N CB 1.810 40.087 38.487 -0.349 0.000 1.425 6 N HN 0.389 nan 8.380 nan 0.000 0.478 7 F N -1.517 118.437 119.950 0.007 0.000 2.878 7 F HA 0.406 4.937 4.527 0.006 0.000 0.322 7 F C -1.353 174.444 175.800 -0.006 0.000 1.154 7 F CA -1.255 56.770 58.000 0.043 0.000 0.896 7 F CB 0.597 39.688 39.000 0.151 0.000 1.313 7 F HN 0.149 nan 8.300 nan 0.000 0.451 8 N N 0.172 119.060 118.700 0.313 0.000 2.292 8 N HA 0.199 4.943 4.740 0.006 0.000 0.303 8 N C -0.008 175.607 175.510 0.176 0.000 1.140 8 N CA -0.660 52.499 53.050 0.182 0.000 0.788 8 N CB 2.022 40.596 38.487 0.144 0.000 1.361 8 N HN 0.826 nan 8.380 nan 0.000 0.489 9 Y N 2.302 122.591 120.300 -0.018 0.000 2.102 9 Y HA -0.245 4.309 4.550 0.006 0.000 0.280 9 Y C 1.577 177.626 175.900 0.247 0.000 1.178 9 Y CA 2.053 60.197 58.100 0.073 0.000 1.146 9 Y CB -0.150 38.334 38.460 0.040 0.000 0.968 9 Y HN 0.519 nan 8.280 nan 0.000 0.504 10 N N 0.733 119.536 118.700 0.170 0.000 2.519 10 N HA -0.104 4.640 4.740 0.006 0.000 0.186 10 N C -0.237 175.304 175.510 0.051 0.000 1.062 10 N CA 0.983 54.082 53.050 0.083 0.000 0.910 10 N CB -0.677 37.879 38.487 0.114 0.000 0.958 10 N HN 0.373 nan 8.380 nan 0.000 0.445 11 D N 1.168 121.633 120.400 0.108 0.000 2.443 11 D HA 0.040 4.683 4.640 0.006 0.000 0.234 11 D C -2.116 174.199 176.300 0.026 0.000 1.172 11 D CA -0.564 53.496 54.000 0.101 0.000 0.878 11 D CB 0.134 41.048 40.800 0.190 0.000 1.204 11 D HN 0.116 nan 8.370 nan 0.000 0.453 12 P HA 0.172 nan 4.420 nan 0.000 0.275 12 P C -0.123 177.142 177.300 -0.059 0.000 1.228 12 P CA -0.301 62.781 63.100 -0.030 0.000 0.786 12 P CB 0.564 32.258 31.700 -0.011 0.000 0.927 13 I N 2.780 123.294 120.570 -0.093 0.000 2.533 13 I HA 0.003 4.177 4.170 0.006 0.000 0.284 13 I C 0.960 177.036 176.117 -0.068 0.000 1.109 13 I CA 0.549 61.779 61.300 -0.116 0.000 1.412 13 I CB 0.464 38.387 38.000 -0.129 0.000 1.396 13 I HN 0.473 nan 8.210 nan 0.000 0.543 14 D N 4.423 124.791 120.400 -0.052 0.000 2.433 14 D HA -0.015 4.629 4.640 0.006 0.000 0.211 14 D C 0.493 176.784 176.300 -0.015 0.000 1.114 14 D CA -0.221 53.766 54.000 -0.021 0.000 0.837 14 D CB 0.001 40.804 40.800 0.006 0.000 0.984 14 D HN 0.489 nan 8.370 nan 0.000 0.505 15 N N 0.113 118.795 118.700 -0.030 0.000 2.778 15 N HA -0.247 4.497 4.740 0.006 0.000 0.249 15 N C 0.275 175.799 175.510 0.024 0.000 1.069 15 N CA 1.244 54.281 53.050 -0.022 0.000 0.831 15 N CB -1.620 36.850 38.487 -0.029 0.000 1.142 15 N HN 0.633 nan 8.380 nan 0.000 0.573 16 N N -0.581 118.152 118.700 0.055 0.000 3.046 16 N HA 0.139 4.883 4.740 0.006 0.000 0.240 16 N C 0.287 175.903 175.510 0.177 0.000 1.017 16 N CA -0.130 52.980 53.050 0.100 0.000 1.126 16 N CB 0.313 38.838 38.487 0.062 0.000 1.642 16 N HN 0.005 nan 8.380 nan 0.000 0.548 17 N N 0.349 119.117 118.700 0.114 0.000 2.220 17 N HA 0.308 5.051 4.740 0.006 0.000 0.195 17 N C -0.633 174.910 175.510 0.055 0.000 1.123 17 N CA 0.270 53.369 53.050 0.081 0.000 0.874 17 N CB 1.695 40.223 38.487 0.068 0.000 0.995 17 N HN 0.306 nan 8.380 nan 0.000 0.498 18 I N 2.260 122.838 120.570 0.012 0.000 2.503 18 I HA 0.357 4.531 4.170 0.006 0.000 0.282 18 I C -0.502 175.514 176.117 -0.169 0.000 1.059 18 I CA -0.620 60.551 61.300 -0.214 0.000 1.081 18 I CB 1.476 39.309 38.000 -0.280 0.000 1.210 18 I HN -0.147 nan 8.210 nan 0.000 0.450 19 I N 1.924 122.385 120.570 -0.181 0.000 3.294 19 I HA 0.645 4.819 4.170 0.006 0.000 0.311 19 I C -1.072 174.924 176.117 -0.202 0.000 1.111 19 I CA -1.126 60.067 61.300 -0.179 0.000 0.976 19 I CB 2.372 40.261 38.000 -0.184 0.000 1.260 19 I HN 0.234 nan 8.210 nan 0.000 0.474 20 M N 3.542 123.065 119.600 -0.128 0.000 2.036 20 M HA 0.434 4.918 4.480 0.006 0.000 0.337 20 M C -0.632 175.731 176.300 0.105 0.000 1.012 20 M CA -0.369 54.917 55.300 -0.022 0.000 0.962 20 M CB 0.855 33.410 32.600 -0.074 0.000 1.423 20 M HN 0.711 nan 8.290 nan 0.000 0.405 21 M N 2.207 121.849 119.600 0.069 0.000 2.409 21 M HA 0.325 4.809 4.480 0.006 0.000 0.329 21 M C -0.353 175.979 176.300 0.053 0.000 1.180 21 M CA -0.145 55.157 55.300 0.003 0.000 1.053 21 M CB 1.405 33.860 32.600 -0.243 0.000 1.586 21 M HN 0.642 nan 8.290 nan 0.000 0.461 22 E N 4.950 125.081 120.200 -0.114 0.000 2.121 22 E HA 0.426 4.780 4.350 0.006 0.000 0.255 22 E C -2.474 174.024 176.600 -0.170 0.000 0.906 22 E CA -2.176 54.009 56.400 -0.358 0.000 0.745 22 E CB 0.953 30.363 29.700 -0.483 0.000 1.155 22 E HN 0.370 nan 8.360 nan 0.000 0.424 23 P HA 0.008 nan 4.420 nan 0.000 0.267 23 P C -2.234 174.930 177.300 -0.226 0.000 1.200 23 P CA -0.960 62.046 63.100 -0.157 0.000 0.772 23 P CB 0.466 32.103 31.700 -0.106 0.000 0.855 24 P HA -0.166 nan 4.420 nan 0.000 0.217 24 P C 0.795 178.000 177.300 -0.157 0.000 1.151 24 P CA 1.613 64.563 63.100 -0.250 0.000 0.849 24 P CB -0.270 31.184 31.700 -0.409 0.000 0.787 25 F N -1.804 117.864 119.950 -0.470 0.000 2.804 25 F HA 0.182 4.713 4.527 0.006 0.000 0.303 25 F C 1.944 177.595 175.800 -0.248 0.000 1.154 25 F CA -0.318 57.399 58.000 -0.472 0.000 1.401 25 F CB -0.056 38.462 39.000 -0.804 0.000 1.106 25 F HN -0.064 nan 8.300 nan 0.000 0.568 26 A N 0.314 123.128 122.820 -0.009 0.000 2.251 26 A HA 0.075 4.399 4.320 0.006 0.000 0.209 26 A C 1.354 178.921 177.584 -0.028 0.000 1.187 26 A CA -0.114 51.981 52.037 0.097 0.000 0.823 26 A CB -0.356 18.681 19.000 0.061 0.000 0.846 26 A HN 0.425 nan 8.150 nan 0.000 0.486 27 R N -2.044 118.443 120.500 -0.022 0.000 3.627 27 R HA -0.231 4.112 4.340 0.006 0.000 0.281 27 R C 1.010 177.076 176.300 -0.391 0.000 1.140 27 R CA 0.495 56.564 56.100 -0.052 0.000 0.761 27 R CB -2.429 27.860 30.300 -0.018 0.000 1.181 27 R HN 1.506 nan 8.270 nan 0.000 0.472 28 G N -0.918 107.486 108.800 -0.660 0.000 2.168 28 G HA2 -0.399 3.565 3.960 0.006 0.000 0.257 28 G HA3 -0.399 3.565 3.960 0.006 0.000 0.257 28 G C 0.244 174.732 174.900 -0.686 0.000 0.997 28 G CA 1.090 45.377 45.100 -1.356 0.000 0.708 28 G HN 0.813 nan 8.290 nan 0.000 0.520 29 T N -3.532 110.802 114.554 -0.367 0.000 2.742 29 T HA 0.948 5.302 4.350 0.006 0.000 0.282 29 T C 1.050 175.682 174.700 -0.113 0.000 1.025 29 T CA 0.480 62.463 62.100 -0.195 0.000 1.020 29 T CB 1.939 70.729 68.868 -0.129 0.000 1.317 29 T HN 2.230 nan 8.240 nan 0.000 0.538 30 G N 1.017 109.788 108.800 -0.048 0.000 2.750 30 G HA2 0.032 3.996 3.960 0.006 0.000 0.228 30 G HA3 0.032 3.996 3.960 0.006 0.000 0.228 30 G C -0.138 174.763 174.900 0.002 0.000 1.367 30 G CA -0.102 44.992 45.100 -0.010 0.000 0.871 30 G HN 1.164 nan 8.290 nan 0.000 0.560 31 R N -0.412 120.094 120.500 0.010 0.000 2.652 31 R HA 0.533 4.877 4.340 0.006 0.000 0.272 31 R C -0.508 175.811 176.300 0.031 0.000 1.162 31 R CA -0.110 56.015 56.100 0.042 0.000 1.199 31 R CB -0.041 30.219 30.300 -0.067 0.000 1.166 31 R HN 0.622 nan 8.270 nan 0.000 0.597 32 Y N -0.941 119.333 120.300 -0.043 0.000 2.488 32 Y HA 0.392 4.946 4.550 0.006 0.000 0.325 32 Y C -0.529 175.360 175.900 -0.017 0.000 1.204 32 Y CA -0.532 57.605 58.100 0.061 0.000 1.229 32 Y CB 1.219 39.680 38.460 0.002 0.000 1.274 32 Y HN 0.375 nan 8.280 nan 0.000 0.493 33 Y N 0.456 120.834 120.300 0.130 0.000 2.331 33 Y HA 0.307 4.861 4.550 0.006 0.000 0.334 33 Y C -0.039 175.871 175.900 0.017 0.000 0.960 33 Y CA -1.650 56.506 58.100 0.093 0.000 1.130 33 Y CB 1.514 40.048 38.460 0.124 0.000 1.164 33 Y HN 0.354 nan 8.280 nan 0.000 0.458 34 K N 2.592 123.059 120.400 0.112 0.000 2.447 34 K HA 0.531 4.855 4.320 0.006 0.000 0.281 34 K C -0.663 175.888 176.600 -0.081 0.000 1.031 34 K CA 0.137 56.371 56.287 -0.088 0.000 1.019 34 K CB 0.165 32.566 32.500 -0.165 0.000 0.918 34 K HN 0.812 nan 8.250 nan 0.000 0.476 35 A N 4.504 127.162 122.820 -0.269 0.000 2.401 35 A HA 0.681 5.005 4.320 0.006 0.000 0.310 35 A C -1.541 175.898 177.584 -0.240 0.000 1.075 35 A CA -0.801 51.184 52.037 -0.087 0.000 0.746 35 A CB 0.696 19.674 19.000 -0.037 0.000 1.277 35 A HN 0.583 nan 8.150 nan 0.000 0.425 36 F N 1.003 121.015 119.950 0.104 0.000 2.467 36 F HA 0.451 4.982 4.527 0.006 0.000 0.336 36 F C 0.586 176.237 175.800 -0.249 0.000 1.123 36 F CA -0.679 57.157 58.000 -0.274 0.000 0.964 36 F CB 2.070 40.528 39.000 -0.903 0.000 1.136 36 F HN 0.569 nan 8.300 nan 0.000 0.447 37 K N 4.460 124.608 120.400 -0.420 0.000 2.278 37 K HA 0.201 4.525 4.320 0.006 0.000 0.289 37 K C 0.971 177.447 176.600 -0.206 0.000 1.080 37 K CA 0.038 55.791 56.287 -0.890 0.000 0.934 37 K CB 0.247 32.070 32.500 -1.128 0.000 1.093 37 K HN 0.936 nan 8.250 nan 0.000 0.459 38 I N 3.082 123.543 120.570 -0.182 0.000 2.500 38 I HA -0.136 4.038 4.170 0.006 0.000 0.252 38 I C 0.412 176.395 176.117 -0.223 0.000 1.142 38 I CA 1.098 62.345 61.300 -0.089 0.000 1.451 38 I CB 0.335 38.110 38.000 -0.374 0.000 1.093 38 I HN 0.816 nan 8.210 nan 0.000 0.430 39 T N -3.359 111.028 114.554 -0.278 0.000 2.769 39 T HA 0.205 4.559 4.350 0.006 0.000 0.306 39 T C -0.965 173.600 174.700 -0.225 0.000 1.400 39 T CA -0.967 61.016 62.100 -0.196 0.000 1.007 39 T CB 1.074 69.868 68.868 -0.123 0.000 1.392 39 T HN -0.124 nan 8.240 nan 0.000 0.500 40 D N 1.650 121.965 120.400 -0.142 0.000 2.571 40 D HA 0.123 4.767 4.640 0.006 0.000 0.231 40 D C 0.936 177.175 176.300 -0.103 0.000 1.133 40 D CA 0.656 54.585 54.000 -0.118 0.000 0.862 40 D CB 0.298 41.061 40.800 -0.062 0.000 1.179 40 D HN 0.622 nan 8.370 nan 0.000 0.474 41 R N 0.644 121.102 120.500 -0.070 0.000 4.000 41 R HA -0.211 4.133 4.340 0.006 0.000 0.348 41 R C -0.258 176.056 176.300 0.024 0.000 1.204 41 R CA 0.746 56.873 56.100 0.046 0.000 0.987 41 R CB -2.080 28.259 30.300 0.065 0.000 1.446 41 R HN 0.554 nan 8.270 nan 0.000 0.555 42 I N 0.003 120.456 120.570 -0.194 0.000 2.447 42 I HA 0.329 4.502 4.170 0.006 0.000 0.287 42 I C -0.217 175.686 176.117 -0.356 0.000 1.023 42 I CA -0.682 60.545 61.300 -0.121 0.000 1.083 42 I CB 1.320 39.290 38.000 -0.050 0.000 1.245 42 I HN -0.125 nan 8.210 nan 0.000 0.434 43 W N 6.552 127.858 121.300 0.011 0.000 2.706 43 W HA 0.638 5.302 4.660 0.006 0.000 0.346 43 W C -0.596 175.930 176.519 0.012 0.000 1.071 43 W CA -0.611 56.731 57.345 -0.004 0.000 1.206 43 W CB 1.356 30.793 29.460 -0.039 0.000 1.413 43 W HN 0.042 nan 8.180 nan 0.000 0.542 44 I N 3.589 124.337 120.570 0.298 0.000 2.466 44 I HA 0.367 4.540 4.170 0.006 0.000 0.289 44 I C -0.667 175.628 176.117 0.297 0.000 1.026 44 I CA -1.242 60.224 61.300 0.275 0.000 1.078 44 I CB 1.266 39.438 38.000 0.286 0.000 1.249 44 I HN 0.365 nan 8.210 nan 0.000 0.429 45 I N 8.075 128.716 120.570 0.118 0.000 2.428 45 I HA 0.221 4.395 4.170 0.006 0.000 0.279 45 I C -1.894 174.297 176.117 0.123 0.000 1.040 45 I CA -1.543 59.803 61.300 0.078 0.000 1.171 45 I CB 1.966 39.756 38.000 -0.349 0.000 1.312 45 I HN 0.262 nan 8.210 nan 0.000 0.470 46 P HA 0.084 nan 4.420 nan 0.000 0.237 46 P C -0.482 176.670 177.300 -0.245 0.000 1.701 46 P CA 0.560 63.525 63.100 -0.225 0.000 0.955 46 P CB -0.041 31.654 31.700 -0.007 0.000 1.937 47 E N 0.429 120.586 120.200 -0.072 0.000 2.429 47 E HA 0.387 4.741 4.350 0.006 0.000 0.276 47 E C -0.126 176.561 176.600 0.145 0.000 0.953 47 E CA -1.175 55.254 56.400 0.048 0.000 0.787 47 E CB 1.614 31.471 29.700 0.261 0.000 1.307 47 E HN 0.052 nan 8.360 nan 0.000 0.458 48 R N 0.789 121.349 120.500 0.099 0.000 2.694 48 R HA 0.090 4.434 4.340 0.006 0.000 0.268 48 R C -0.539 175.892 176.300 0.219 0.000 1.061 48 R CA 0.038 56.231 56.100 0.156 0.000 1.133 48 R CB -0.048 30.248 30.300 -0.007 0.000 1.020 48 R HN 0.521 nan 8.270 nan 0.000 0.475 49 Y N 1.268 121.645 120.300 0.129 0.000 2.404 49 Y HA 0.037 4.591 4.550 0.006 0.000 0.344 49 Y C 1.130 177.093 175.900 0.104 0.000 0.995 49 Y CA 0.235 58.340 58.100 0.010 0.000 1.201 49 Y CB 0.799 39.288 38.460 0.048 0.000 1.151 49 Y HN 0.678 nan 8.280 nan 0.000 0.517 50 T N 1.407 115.756 114.554 -0.341 0.000 2.971 50 T HA 0.200 4.554 4.350 0.006 0.000 0.252 50 T C 0.161 174.792 174.700 -0.114 0.000 1.022 50 T CA -0.247 61.810 62.100 -0.071 0.000 0.980 50 T CB -0.502 68.243 68.868 -0.205 0.000 1.044 50 T HN 0.337 nan 8.240 nan 0.000 0.501 51 F N 3.008 122.803 119.950 -0.258 0.000 2.569 51 F HA 0.397 4.927 4.527 0.006 0.000 0.395 51 F C 1.838 177.639 175.800 0.001 0.000 1.028 51 F CA 1.082 58.975 58.000 -0.179 0.000 1.158 51 F CB -0.386 38.417 39.000 -0.327 0.000 1.023 51 F HN 0.392 nan 8.300 nan 0.000 0.547 52 G N 2.151 110.987 108.800 0.060 0.000 2.176 52 G HA2 -0.315 3.649 3.960 0.006 0.000 0.253 52 G HA3 -0.315 3.649 3.960 0.006 0.000 0.253 52 G C -0.384 174.446 174.900 -0.117 0.000 0.979 52 G CA -0.448 44.569 45.100 -0.138 0.000 0.641 52 G HN 0.593 nan 8.290 nan 0.000 0.530 53 Y N 0.522 120.943 120.300 0.201 0.000 2.409 53 Y HA 0.611 5.165 4.550 0.006 0.000 0.339 53 Y C 0.759 176.780 175.900 0.202 0.000 1.033 53 Y CA -0.952 57.276 58.100 0.214 0.000 1.094 53 Y CB 1.343 39.877 38.460 0.124 0.000 1.210 53 Y HN -0.036 nan 8.280 nan 0.000 0.456 54 K N 4.223 124.846 120.400 0.371 0.000 2.276 54 K HA 0.161 4.485 4.320 0.006 0.000 0.283 54 K C -1.984 174.814 176.600 0.329 0.000 1.044 54 K CA -1.490 54.956 56.287 0.265 0.000 0.944 54 K CB 0.857 33.470 32.500 0.189 0.000 1.012 54 K HN 0.339 nan 8.250 nan 0.000 0.472 55 P HA -0.311 nan 4.420 nan 0.000 0.218 55 P C 0.977 178.455 177.300 0.297 0.000 1.154 55 P CA 1.440 64.704 63.100 0.274 0.000 0.872 55 P CB 0.187 31.954 31.700 0.113 0.000 0.790 56 E N -0.786 119.531 120.200 0.196 0.000 2.274 56 E HA -0.177 4.176 4.350 0.006 0.000 0.194 56 E C 0.894 177.589 176.600 0.158 0.000 0.996 56 E CA 1.183 57.669 56.400 0.142 0.000 0.840 56 E CB -1.095 28.651 29.700 0.077 0.000 0.772 56 E HN 0.238 nan 8.360 nan 0.000 0.491 57 D N 0.123 120.648 120.400 0.208 0.000 2.392 57 D HA -0.022 4.622 4.640 0.006 0.000 0.228 57 D C 0.797 177.192 176.300 0.157 0.000 1.003 57 D CA 0.351 54.457 54.000 0.178 0.000 0.917 57 D CB -0.396 40.592 40.800 0.312 0.000 0.890 57 D HN 0.207 nan 8.370 nan 0.000 0.532 58 F N 0.442 120.487 119.950 0.159 0.000 2.710 58 F HA 0.064 4.595 4.527 0.007 0.000 0.298 58 F C 1.116 177.010 175.800 0.157 0.000 1.137 58 F CA 0.166 58.252 58.000 0.142 0.000 1.444 58 F CB 0.129 39.149 39.000 0.034 0.000 1.111 58 F HN -0.203 nan 8.300 nan 0.000 0.580 59 N N 0.962 119.769 118.700 0.178 0.000 2.509 59 N HA 0.062 4.806 4.740 0.006 0.000 0.287 59 N C -0.085 175.272 175.510 -0.254 0.000 1.121 59 N CA -0.361 52.698 53.050 0.015 0.000 0.977 59 N CB 0.918 39.403 38.487 -0.002 0.000 1.167 59 N HN -0.108 nan 8.380 nan 0.000 0.476 60 K N 0.932 121.129 120.400 -0.338 0.000 2.326 60 K HA 0.142 4.466 4.320 0.006 0.000 0.275 60 K C -0.022 176.341 176.600 -0.395 0.000 1.018 60 K CA 0.162 56.052 56.287 -0.660 0.000 0.962 60 K CB 0.405 32.738 32.500 -0.278 0.000 0.953 60 K HN 0.835 nan 8.250 nan 0.000 0.475 61 S N 0.416 115.857 115.700 -0.432 0.000 2.998 61 S HA 0.209 4.683 4.470 0.006 0.000 0.321 61 S C 0.392 174.881 174.600 -0.184 0.000 1.171 61 S CA -0.282 57.774 58.200 -0.241 0.000 0.882 61 S CB 0.768 63.835 63.200 -0.221 0.000 1.301 61 S HN 0.496 nan 8.310 nan 0.000 0.629 62 S N -0.644 114.979 115.700 -0.128 0.000 2.671 62 S HA 0.468 4.942 4.470 0.006 0.000 0.220 62 S C 0.696 175.244 174.600 -0.086 0.000 0.951 62 S CA -0.118 58.030 58.200 -0.088 0.000 0.932 62 S CB -0.864 62.299 63.200 -0.062 0.000 0.777 62 S HN 1.166 nan 8.310 nan 0.000 0.508 63 G N 1.024 109.741 108.800 -0.138 0.000 2.685 63 G HA2 0.729 4.693 3.960 0.006 0.000 0.298 63 G HA3 0.729 4.693 3.960 0.006 0.000 0.298 63 G C -1.013 173.796 174.900 -0.152 0.000 1.277 63 G CA -1.056 43.960 45.100 -0.140 0.000 0.986 63 G HN 0.503 nan 8.290 nan 0.000 0.487 64 I N -4.009 116.478 120.570 -0.139 0.000 2.994 64 I HA 0.628 4.802 4.170 0.006 0.000 0.306 64 I C -0.428 175.599 176.117 -0.150 0.000 1.195 64 I CA -1.164 60.099 61.300 -0.062 0.000 1.001 64 I CB 1.622 39.659 38.000 0.063 0.000 1.244 64 I HN 0.408 nan 8.210 nan 0.000 0.437 65 F N 0.306 120.292 119.950 0.060 0.000 2.374 65 F HA 0.281 4.811 4.527 0.006 0.000 0.291 65 F C 1.067 176.851 175.800 -0.027 0.000 1.084 65 F CA 0.616 58.628 58.000 0.021 0.000 1.413 65 F CB 0.378 39.387 39.000 0.015 0.000 1.099 65 F HN 0.589 nan 8.300 nan 0.000 0.534 66 N N 0.163 118.954 118.700 0.151 0.000 2.399 66 N HA 0.184 4.928 4.740 0.006 0.000 0.284 66 N C 0.278 175.787 175.510 -0.002 0.000 1.025 66 N CA -0.260 52.818 53.050 0.047 0.000 0.885 66 N CB 1.407 39.919 38.487 0.041 0.000 1.339 66 N HN 0.057 nan 8.380 nan 0.000 0.487 67 R N 1.225 121.668 120.500 -0.096 0.000 2.328 67 R HA 0.023 4.367 4.340 0.006 0.000 0.207 67 R C -0.126 176.217 176.300 0.072 0.000 1.056 67 R CA 0.859 56.885 56.100 -0.123 0.000 1.016 67 R CB 0.291 30.355 30.300 -0.393 0.000 0.872 67 R HN 0.519 nan 8.270 nan 0.000 0.471 68 D N 0.135 120.559 120.400 0.040 0.000 2.623 68 D HA 0.139 4.783 4.640 0.006 0.000 0.252 68 D C -0.981 175.326 176.300 0.012 0.000 1.294 68 D CA 0.201 54.224 54.000 0.037 0.000 0.824 68 D CB 1.082 41.880 40.800 -0.003 0.000 1.070 68 D HN -0.122 nan 8.370 nan 0.000 0.487 69 V N 0.872 120.808 119.914 0.037 0.000 2.808 69 V HA 0.126 4.249 4.120 0.006 0.000 0.308 69 V C -0.070 176.060 176.094 0.059 0.000 1.099 69 V CA -0.979 61.337 62.300 0.026 0.000 0.920 69 V CB 2.402 34.228 31.823 0.006 0.000 1.014 69 V HN 0.145 nan 8.190 nan 0.000 0.425 70 C N 4.781 124.114 119.300 0.054 0.000 2.311 70 C HA 0.292 4.756 4.460 0.006 0.000 0.357 70 C C 0.794 175.838 174.990 0.090 0.000 1.086 70 C CA -0.463 58.603 59.018 0.080 0.000 1.486 70 C CB -1.645 26.135 27.740 0.067 0.000 1.974 70 C HN 0.880 nan 8.230 nan 0.000 0.508 71 E N 4.048 124.319 120.200 0.118 0.000 2.290 71 E HA 0.099 4.453 4.350 0.006 0.000 0.277 71 E C -0.889 175.792 176.600 0.135 0.000 1.035 71 E CA 0.043 56.490 56.400 0.079 0.000 0.873 71 E CB 0.852 30.626 29.700 0.123 0.000 1.029 71 E HN 0.717 nan 8.360 nan 0.000 0.419 72 Y N 3.729 123.937 120.300 -0.153 0.000 2.330 72 Y HA 0.260 4.813 4.550 0.006 0.000 0.336 72 Y C -1.409 174.287 175.900 -0.340 0.000 1.036 72 Y CA -0.936 57.093 58.100 -0.118 0.000 1.125 72 Y CB 0.535 38.903 38.460 -0.154 0.000 1.194 72 Y HN 0.374 nan 8.280 nan 0.000 0.469 73 Y N 3.990 123.818 120.300 -0.787 0.000 2.409 73 Y HA 0.456 5.010 4.550 0.006 0.000 0.339 73 Y C -0.511 174.782 175.900 -1.012 0.000 1.033 73 Y CA -0.936 56.749 58.100 -0.691 0.000 1.094 73 Y CB 1.719 39.985 38.460 -0.323 0.000 1.210 73 Y HN 0.573 nan 8.280 nan 0.000 0.456 74 D N 3.839 123.923 120.400 -0.527 0.000 2.362 74 D HA 0.135 4.779 4.640 0.006 0.000 0.228 74 D C -2.438 173.800 176.300 -0.103 0.000 1.326 74 D CA -1.422 52.336 54.000 -0.403 0.000 0.927 74 D CB 1.576 42.105 40.800 -0.453 0.000 1.501 74 D HN 0.225 nan 8.370 nan 0.000 0.519 75 P HA 0.034 nan 4.420 nan 0.000 0.234 75 P C 0.348 177.648 177.300 0.000 0.000 1.167 75 P CA 0.434 63.568 63.100 0.057 0.000 0.763 75 P CB 0.678 32.419 31.700 0.068 0.000 0.835 76 D N -1.564 118.843 120.400 0.012 0.000 2.354 76 D HA -0.037 4.606 4.640 0.006 0.000 0.209 76 D C 0.593 176.931 176.300 0.064 0.000 1.015 76 D CA -0.076 53.935 54.000 0.019 0.000 0.867 76 D CB -0.585 40.228 40.800 0.022 0.000 0.933 76 D HN 0.196 nan 8.370 nan 0.000 0.520 77 Y N 2.006 122.297 120.300 -0.015 0.000 2.805 77 Y HA -0.034 4.521 4.550 0.007 0.000 0.331 77 Y C 1.034 176.929 175.900 -0.008 0.000 1.241 77 Y CA 0.223 58.341 58.100 0.031 0.000 1.546 77 Y CB 0.026 38.514 38.460 0.047 0.000 1.248 77 Y HN -0.030 nan 8.280 nan 0.000 0.559 78 L N 4.257 125.212 121.223 -0.446 0.000 3.730 78 L HA -0.345 3.999 4.340 0.006 0.000 0.410 78 L C 0.281 177.021 176.870 -0.218 0.000 1.234 78 L CA 0.796 55.406 54.840 -0.384 0.000 0.911 78 L CB -1.416 40.408 42.059 -0.392 0.000 1.942 78 L HN 0.832 nan 8.230 nan 0.000 0.860 79 N N -0.772 117.835 118.700 -0.156 0.000 2.238 79 N HA 0.110 4.854 4.740 0.006 0.000 0.222 79 N C 0.153 175.602 175.510 -0.103 0.000 1.133 79 N CA 0.516 53.496 53.050 -0.117 0.000 0.854 79 N CB 0.579 39.017 38.487 -0.082 0.000 1.041 79 N HN 0.498 nan 8.380 nan 0.000 0.510 80 T N -3.740 110.737 114.554 -0.128 0.000 2.868 80 T HA 0.371 4.725 4.350 0.006 0.000 0.306 80 T C 0.339 174.944 174.700 -0.159 0.000 1.224 80 T CA -0.776 61.264 62.100 -0.101 0.000 1.012 80 T CB 1.363 70.192 68.868 -0.064 0.000 1.221 80 T HN -0.223 nan 8.240 nan 0.000 0.499 81 N N 0.997 119.629 118.700 -0.113 0.000 2.166 81 N HA -0.092 4.651 4.740 0.006 0.000 0.186 81 N C 1.295 176.726 175.510 -0.131 0.000 1.019 81 N CA 1.489 54.442 53.050 -0.162 0.000 0.856 81 N CB -0.432 38.111 38.487 0.092 0.000 0.993 81 N HN 0.860 nan 8.380 nan 0.000 0.426 82 D N 0.683 121.050 120.400 -0.056 0.000 2.178 82 D HA -0.061 4.582 4.640 0.006 0.000 0.201 82 D C 1.653 177.917 176.300 -0.060 0.000 0.980 82 D CA 1.064 55.047 54.000 -0.029 0.000 0.842 82 D CB 0.241 41.037 40.800 -0.007 0.000 0.948 82 D HN 0.180 nan 8.370 nan 0.000 0.472 83 K N -0.095 120.240 120.400 -0.108 0.000 2.062 83 K HA -0.054 4.270 4.320 0.006 0.000 0.205 83 K C 2.136 178.641 176.600 -0.158 0.000 1.051 83 K CA 0.805 57.012 56.287 -0.133 0.000 0.941 83 K CB 0.093 32.480 32.500 -0.189 0.000 0.719 83 K HN 0.072 nan 8.250 nan 0.000 0.440 84 K N 0.864 121.099 120.400 -0.275 0.000 2.063 84 K HA -0.161 4.163 4.320 0.006 0.000 0.208 84 K C 1.975 178.493 176.600 -0.136 0.000 1.048 84 K CA 1.313 57.388 56.287 -0.354 0.000 0.928 84 K CB -0.210 31.750 32.500 -0.900 0.000 0.713 84 K HN 0.226 nan 8.250 nan 0.000 0.442 85 N N 1.126 119.765 118.700 -0.102 0.000 2.166 85 N HA -0.142 4.602 4.740 0.006 0.000 0.186 85 N C 1.834 177.377 175.510 0.055 0.000 1.019 85 N CA 0.831 53.901 53.050 0.033 0.000 0.856 85 N CB 0.042 38.574 38.487 0.075 0.000 0.993 85 N HN 0.125 nan 8.380 nan 0.000 0.426 86 I N 0.170 120.766 120.570 0.045 0.000 2.286 86 I HA -0.245 3.929 4.170 0.006 0.000 0.248 86 I C 2.113 178.288 176.117 0.098 0.000 1.115 86 I CA 0.846 62.180 61.300 0.056 0.000 1.392 86 I CB -0.351 37.673 38.000 0.040 0.000 1.065 86 I HN 0.128 nan 8.210 nan 0.000 0.418 87 F N 1.332 121.270 119.950 -0.020 0.000 2.102 87 F HA -0.226 4.304 4.527 0.006 0.000 0.298 87 F C 2.274 178.116 175.800 0.070 0.000 1.105 87 F CA 1.635 59.661 58.000 0.043 0.000 1.239 87 F CB -0.161 38.845 39.000 0.010 0.000 0.991 87 F HN -0.128 nan 8.300 nan 0.000 0.474 88 L N -0.046 121.330 121.223 0.255 0.000 1.989 88 L HA -0.279 4.065 4.340 0.006 0.000 0.211 88 L C 2.663 179.566 176.870 0.055 0.000 1.071 88 L CA 1.297 56.218 54.840 0.134 0.000 0.749 88 L CB -0.656 41.410 42.059 0.011 0.000 0.890 88 L HN 0.193 nan 8.230 nan 0.000 0.431 89 Q N -0.911 118.913 119.800 0.039 0.000 2.124 89 Q HA -0.164 4.180 4.340 0.006 0.000 0.202 89 Q C 2.143 178.144 176.000 0.003 0.000 0.977 89 Q CA 1.959 57.771 55.803 0.014 0.000 0.850 89 Q CB -0.870 27.879 28.738 0.018 0.000 0.901 89 Q HN 0.483 nan 8.270 nan 0.000 0.429 90 T N 1.357 115.901 114.554 -0.016 0.000 2.737 90 T HA -0.079 4.274 4.350 0.006 0.000 0.265 90 T C 1.856 176.543 174.700 -0.021 0.000 1.038 90 T CA 1.079 63.159 62.100 -0.033 0.000 1.144 90 T CB -0.045 68.780 68.868 -0.071 0.000 0.866 90 T HN 0.117 nan 8.240 nan 0.000 0.434 91 M N 0.761 120.318 119.600 -0.072 0.000 2.080 91 M HA -0.003 4.480 4.480 0.006 0.000 0.260 91 M C 2.348 178.731 176.300 0.138 0.000 1.068 91 M CA 1.394 56.711 55.300 0.028 0.000 1.109 91 M CB -1.340 31.254 32.600 -0.010 0.000 1.342 91 M HN 0.266 nan 8.290 nan 0.000 0.405 92 I N -0.171 120.424 120.570 0.041 0.000 2.194 92 I HA -0.347 3.827 4.170 0.006 0.000 0.246 92 I C 2.585 178.749 176.117 0.078 0.000 1.093 92 I CA 1.403 62.710 61.300 0.011 0.000 1.355 92 I CB -0.417 37.541 38.000 -0.069 0.000 1.046 92 I HN 0.350 nan 8.210 nan 0.000 0.413 93 K N 1.046 121.490 120.400 0.073 0.000 2.097 93 K HA -0.126 4.198 4.320 0.006 0.000 0.205 93 K C 2.118 178.803 176.600 0.141 0.000 1.050 93 K CA 1.077 57.421 56.287 0.094 0.000 0.938 93 K CB 0.050 32.605 32.500 0.090 0.000 0.718 93 K HN 0.271 nan 8.250 nan 0.000 0.442 94 L N -0.239 121.072 121.223 0.148 0.000 2.056 94 L HA -0.124 4.220 4.340 0.006 0.000 0.207 94 L C 2.209 179.126 176.870 0.078 0.000 1.078 94 L CA 1.011 55.923 54.840 0.120 0.000 0.749 94 L CB -0.475 41.620 42.059 0.059 0.000 0.901 94 L HN 0.112 nan 8.230 nan 0.000 0.433 95 F N 0.724 120.657 119.950 -0.030 0.000 2.095 95 F HA -0.217 4.314 4.527 0.007 0.000 0.298 95 F C 2.579 178.374 175.800 -0.009 0.000 1.104 95 F CA 1.400 59.379 58.000 -0.036 0.000 1.232 95 F CB -0.580 38.392 39.000 -0.046 0.000 0.987 95 F HN 0.139 nan 8.300 nan 0.000 0.475 96 N N 0.076 118.887 118.700 0.185 0.000 2.149 96 N HA -0.211 4.533 4.740 0.006 0.000 0.188 96 N C 2.071 177.633 175.510 0.087 0.000 1.019 96 N CA 1.163 54.276 53.050 0.105 0.000 0.857 96 N CB -0.393 38.134 38.487 0.067 0.000 0.997 96 N HN 0.282 nan 8.380 nan 0.000 0.426 97 R N 0.920 121.476 120.500 0.093 0.000 2.092 97 R HA 0.041 4.384 4.340 0.006 0.000 0.231 97 R C 2.254 178.642 176.300 0.148 0.000 1.119 97 R CA 0.716 56.876 56.100 0.100 0.000 0.970 97 R CB -0.142 30.221 30.300 0.106 0.000 0.864 97 R HN 0.150 nan 8.270 nan 0.000 0.440 98 I N 1.652 122.258 120.570 0.060 0.000 2.142 98 I HA -0.311 3.863 4.170 0.006 0.000 0.240 98 I C 2.201 178.398 176.117 0.133 0.000 1.078 98 I CA 1.868 63.174 61.300 0.011 0.000 1.343 98 I CB -0.303 37.579 38.000 -0.196 0.000 1.046 98 I HN 0.275 nan 8.210 nan 0.000 0.405 99 K N 0.968 121.422 120.400 0.090 0.000 2.439 99 K HA -0.060 4.264 4.320 0.006 0.000 0.197 99 K C 1.859 178.511 176.600 0.086 0.000 1.041 99 K CA 1.243 57.585 56.287 0.091 0.000 0.970 99 K CB -0.350 32.194 32.500 0.073 0.000 0.773 99 K HN 0.255 nan 8.250 nan 0.000 0.479 100 S N 0.116 115.873 115.700 0.095 0.000 2.493 100 S HA -0.107 4.367 4.470 0.006 0.000 0.243 100 S C 0.283 174.869 174.600 -0.025 0.000 0.991 100 S CA 0.414 58.636 58.200 0.036 0.000 0.957 100 S CB -0.221 62.999 63.200 0.034 0.000 0.756 100 S HN 0.384 nan 8.310 nan 0.000 0.521 101 K N 0.056 120.453 120.400 -0.006 0.000 2.477 101 K HA 0.402 4.726 4.320 0.006 0.000 0.255 101 K C -2.485 174.127 176.600 0.019 0.000 0.952 101 K CA -2.460 53.761 56.287 -0.108 0.000 0.826 101 K CB 1.952 34.159 32.500 -0.488 0.000 1.331 101 K HN -0.259 nan 8.250 nan 0.000 0.437 102 P HA -0.207 nan 4.420 nan 0.000 0.215 102 P C 1.198 178.563 177.300 0.108 0.000 1.157 102 P CA 0.889 64.014 63.100 0.043 0.000 0.874 102 P CB 0.229 31.937 31.700 0.013 0.000 0.790 103 L N -0.423 120.882 121.223 0.137 0.000 2.042 103 L HA -0.086 4.258 4.340 0.006 0.000 0.210 103 L C 2.227 179.280 176.870 0.304 0.000 1.076 103 L CA 2.485 57.463 54.840 0.229 0.000 0.749 103 L CB -1.576 40.635 42.059 0.253 0.000 0.893 103 L HN -0.038 nan 8.230 nan 0.000 0.432 104 G N -1.565 107.433 108.800 0.331 0.000 2.394 104 G HA2 -0.267 3.697 3.960 0.006 0.000 0.215 104 G HA3 -0.267 3.697 3.960 0.006 0.000 0.215 104 G C 1.489 176.446 174.900 0.094 0.000 1.165 104 G CA 0.638 45.854 45.100 0.194 0.000 0.784 104 G HN 0.523 nan 8.290 nan 0.000 0.535 105 E N 0.493 120.762 120.200 0.114 0.000 2.085 105 E HA -0.147 4.207 4.350 0.006 0.000 0.194 105 E C 2.356 178.991 176.600 0.058 0.000 0.994 105 E CA 1.068 57.510 56.400 0.069 0.000 0.801 105 E CB -0.073 29.666 29.700 0.064 0.000 0.743 105 E HN 0.333 nan 8.360 nan 0.000 0.453 106 K N 0.226 120.689 120.400 0.105 0.000 2.097 106 K HA -0.176 4.148 4.320 0.006 0.000 0.206 106 K C 2.301 178.927 176.600 0.043 0.000 1.049 106 K CA 1.014 57.377 56.287 0.126 0.000 0.933 106 K CB -0.261 32.375 32.500 0.227 0.000 0.717 106 K HN 0.180 nan 8.250 nan 0.000 0.442 107 L N 1.606 122.802 121.223 -0.045 0.000 2.046 107 L HA -0.156 4.188 4.340 0.006 0.000 0.208 107 L C 1.948 178.653 176.870 -0.276 0.000 1.077 107 L CA 1.491 56.050 54.840 -0.467 0.000 0.747 107 L CB -0.351 41.425 42.059 -0.471 0.000 0.896 107 L HN 0.105 nan 8.230 nan 0.000 0.432 108 L N -0.787 120.357 121.223 -0.131 0.000 2.027 108 L HA -0.196 4.148 4.340 0.006 0.000 0.206 108 L C 2.556 179.409 176.870 -0.029 0.000 1.074 108 L CA 1.553 56.355 54.840 -0.063 0.000 0.745 108 L CB -0.561 41.499 42.059 0.001 0.000 0.898 108 L HN 0.324 nan 8.230 nan 0.000 0.433 109 E N -0.487 119.705 120.200 -0.013 0.000 2.085 109 E HA -0.248 4.106 4.350 0.006 0.000 0.194 109 E C 2.312 178.911 176.600 -0.001 0.000 0.994 109 E CA 1.233 57.633 56.400 0.001 0.000 0.801 109 E CB -0.041 29.669 29.700 0.017 0.000 0.743 109 E HN 0.355 nan 8.360 nan 0.000 0.453 110 M N 0.153 119.740 119.600 -0.021 0.000 2.086 110 M HA -0.146 4.338 4.480 0.006 0.000 0.261 110 M C 2.401 178.738 176.300 0.062 0.000 1.067 110 M CA 1.375 56.682 55.300 0.012 0.000 1.116 110 M CB -0.688 31.845 32.600 -0.112 0.000 1.348 110 M HN 0.181 nan 8.290 nan 0.000 0.407 111 I N -0.040 120.519 120.570 -0.017 0.000 2.226 111 I HA -0.307 3.867 4.170 0.006 0.000 0.245 111 I C 2.322 178.451 176.117 0.020 0.000 1.100 111 I CA 1.153 62.461 61.300 0.013 0.000 1.374 111 I CB -0.269 37.709 38.000 -0.037 0.000 1.057 111 I HN 0.208 nan 8.210 nan 0.000 0.413 112 I N 0.668 121.243 120.570 0.008 0.000 2.252 112 I HA -0.278 3.896 4.170 0.006 0.000 0.245 112 I C 1.772 177.873 176.117 -0.026 0.000 1.102 112 I CA 1.305 62.604 61.300 -0.001 0.000 1.385 112 I CB -0.412 37.584 38.000 -0.006 0.000 1.064 112 I HN 0.304 nan 8.210 nan 0.000 0.414 113 N N 0.853 119.535 118.700 -0.030 0.000 2.398 113 N HA 0.019 4.763 4.740 0.006 0.000 0.188 113 N C 1.155 176.591 175.510 -0.124 0.000 1.122 113 N CA 0.405 53.413 53.050 -0.070 0.000 0.866 113 N CB 0.314 38.772 38.487 -0.049 0.000 0.970 113 N HN 0.258 nan 8.380 nan 0.000 0.462 114 G N 1.872 110.597 108.800 -0.126 0.000 3.717 114 G HA2 0.267 4.231 3.960 0.006 0.000 0.258 114 G HA3 0.267 4.231 3.960 0.006 0.000 0.258 114 G C 0.545 175.297 174.900 -0.247 0.000 1.088 114 G CA -0.474 44.406 45.100 -0.367 0.000 1.737 114 G HN 0.258 nan 8.290 nan 0.000 0.648 115 I N -1.344 119.136 120.570 -0.149 0.000 2.683 115 I HA 0.289 4.463 4.170 0.006 0.000 0.286 115 I C -2.375 173.782 176.117 0.067 0.000 1.175 115 I CA -1.926 59.352 61.300 -0.037 0.000 1.429 115 I CB 0.460 38.414 38.000 -0.076 0.000 1.371 115 I HN -0.076 nan 8.210 nan 0.000 0.569 116 P HA -0.037 nan 4.420 nan 0.000 0.266 116 P C -0.826 176.612 177.300 0.231 0.000 1.195 116 P CA 0.232 63.426 63.100 0.157 0.000 0.768 116 P CB 0.215 32.009 31.700 0.156 0.000 0.838 117 Y N 3.293 123.630 120.300 0.062 0.000 2.652 117 Y HA 0.002 4.555 4.550 0.006 0.000 0.344 117 Y C 0.461 176.385 175.900 0.040 0.000 1.254 117 Y CA 0.208 58.199 58.100 -0.182 0.000 1.480 117 Y CB 0.176 38.517 38.460 -0.198 0.000 1.345 117 Y HN 0.175 nan 8.280 nan 0.000 0.617 118 L N 6.689 127.593 121.223 -0.533 0.000 2.395 118 L HA 0.376 4.719 4.340 0.006 0.000 0.268 118 L C 0.610 177.522 176.870 0.070 0.000 1.223 118 L CA 0.346 54.996 54.840 -0.317 0.000 1.093 118 L CB -1.387 40.187 42.059 -0.809 0.000 1.349 118 L HN 0.931 nan 8.230 nan 0.000 0.427 119 G N 1.901 110.824 108.800 0.205 0.000 2.347 119 G HA2 0.138 4.102 3.960 0.006 0.000 0.477 119 G HA3 0.138 4.102 3.960 0.006 0.000 0.477 119 G C -1.726 173.144 174.900 -0.050 0.000 1.349 119 G CA -0.341 44.861 45.100 0.170 0.000 1.000 119 G HN 0.523 nan 8.290 nan 0.000 0.605 120 D N -2.268 117.901 120.400 -0.385 0.000 2.904 120 D HA 0.441 5.084 4.640 0.006 0.000 0.290 120 D C 1.701 177.381 176.300 -1.034 0.000 1.180 120 D CA -0.068 53.269 54.000 -1.105 0.000 1.065 120 D CB -0.046 40.407 40.800 -0.579 0.000 1.386 120 D HN 0.743 nan 8.370 nan 0.000 0.599 121 R N -0.139 119.869 120.500 -0.820 0.000 2.159 121 R HA -0.014 4.330 4.340 0.006 0.000 0.237 121 R C 1.533 177.723 176.300 -0.183 0.000 1.131 121 R CA 0.997 56.918 56.100 -0.299 0.000 0.982 121 R CB -0.409 29.770 30.300 -0.203 0.000 0.868 121 R HN 0.242 nan 8.270 nan 0.000 0.453 122 R N 0.998 121.377 120.500 -0.202 0.000 2.236 122 R HA 0.128 4.472 4.340 0.006 0.000 0.208 122 R C 0.124 176.379 176.300 -0.074 0.000 1.036 122 R CA 0.268 56.295 56.100 -0.122 0.000 1.001 122 R CB 0.253 30.485 30.300 -0.112 0.000 0.896 122 R HN 0.003 nan 8.270 nan 0.000 0.464 123 V N 2.916 122.790 119.914 -0.068 0.000 2.583 123 V HA 0.140 4.264 4.120 0.006 0.000 0.287 123 V C -2.030 174.079 176.094 0.025 0.000 1.051 123 V CA -1.880 60.420 62.300 -0.000 0.000 1.010 123 V CB 1.120 32.977 31.823 0.056 0.000 0.988 123 V HN -0.021 nan 8.190 nan 0.000 0.478 124 P HA 0.164 nan 4.420 nan 0.000 0.268 124 P C 1.060 178.377 177.300 0.028 0.000 1.205 124 P CA -0.141 62.968 63.100 0.015 0.000 0.771 124 P CB 0.465 32.168 31.700 0.004 0.000 0.858 125 L N 1.775 123.007 121.223 0.015 0.000 2.129 125 L HA -0.220 4.124 4.340 0.006 0.000 0.212 125 L C 1.341 178.205 176.870 -0.012 0.000 1.087 125 L CA 1.773 56.618 54.840 0.008 0.000 0.757 125 L CB -0.834 41.217 42.059 -0.015 0.000 0.896 125 L HN 0.461 nan 8.230 nan 0.000 0.434 126 E N -0.392 119.793 120.200 -0.024 0.000 2.502 126 E HA 0.050 4.404 4.350 0.006 0.000 0.194 126 E C -0.034 176.513 176.600 -0.088 0.000 1.062 126 E CA 0.180 56.547 56.400 -0.055 0.000 0.867 126 E CB 0.212 29.890 29.700 -0.038 0.000 0.888 126 E HN 0.524 nan 8.360 nan 0.000 0.510 127 E N -0.250 119.919 120.200 -0.051 0.000 2.299 127 E HA 0.415 4.769 4.350 0.006 0.000 0.265 127 E C -0.840 175.790 176.600 0.051 0.000 0.911 127 E CA -0.728 55.652 56.400 -0.033 0.000 0.789 127 E CB 1.763 31.479 29.700 0.027 0.000 1.246 127 E HN -0.020 nan 8.360 nan 0.000 0.427 128 F N 1.491 121.458 119.950 0.028 0.000 2.467 128 F HA 0.336 4.867 4.527 0.006 0.000 0.336 128 F C 0.184 175.971 175.800 -0.022 0.000 1.123 128 F CA -0.938 57.047 58.000 -0.025 0.000 0.964 128 F CB 1.637 40.570 39.000 -0.112 0.000 1.136 128 F HN 0.274 nan 8.300 nan 0.000 0.447 129 N N 1.686 120.500 118.700 0.190 0.000 2.399 129 N HA 0.177 4.921 4.740 0.006 0.000 0.284 129 N C 0.173 175.714 175.510 0.052 0.000 1.025 129 N CA -0.288 52.814 53.050 0.087 0.000 0.885 129 N CB 1.925 40.446 38.487 0.056 0.000 1.339 129 N HN 0.678 nan 8.380 nan 0.000 0.487 130 T N -0.434 114.143 114.554 0.038 0.000 3.023 130 T HA 0.108 4.462 4.350 0.006 0.000 0.253 130 T C 0.747 175.437 174.700 -0.017 0.000 1.038 130 T CA -0.001 62.137 62.100 0.063 0.000 0.962 130 T CB -0.167 68.778 68.868 0.128 0.000 1.018 130 T HN 0.354 nan 8.240 nan 0.000 0.521 131 N N 2.456 121.129 118.700 -0.045 0.000 3.111 131 N HA 0.251 4.995 4.740 0.006 0.000 0.302 131 N C -0.296 175.150 175.510 -0.107 0.000 1.317 131 N CA -0.636 52.354 53.050 -0.101 0.000 1.151 131 N CB -0.779 37.647 38.487 -0.102 0.000 1.456 131 N HN 0.776 nan 8.380 nan 0.000 0.547 132 I N -3.911 116.610 120.570 -0.083 0.000 2.769 132 I HA 0.581 4.754 4.170 0.006 0.000 0.298 132 I C 0.693 176.774 176.117 -0.060 0.000 1.128 132 I CA -1.206 60.050 61.300 -0.074 0.000 1.031 132 I CB 1.647 39.618 38.000 -0.049 0.000 1.235 132 I HN -0.157 nan 8.210 nan 0.000 0.423 133 A N 3.359 126.148 122.820 -0.052 0.000 2.131 133 A HA -0.135 4.188 4.320 0.006 0.000 0.220 133 A C 2.003 179.583 177.584 -0.007 0.000 1.158 133 A CA 2.103 54.126 52.037 -0.023 0.000 0.665 133 A CB -0.875 18.135 19.000 0.016 0.000 0.795 133 A HN 0.982 nan 8.150 nan 0.000 0.460 134 S N -1.806 113.900 115.700 0.010 0.000 2.548 134 S HA 0.159 4.633 4.470 0.006 0.000 0.215 134 S C 1.221 175.866 174.600 0.075 0.000 0.976 134 S CA 0.797 59.022 58.200 0.042 0.000 0.908 134 S CB 0.178 63.409 63.200 0.053 0.000 0.781 134 S HN 0.227 nan 8.310 nan 0.000 0.519 135 V N 0.485 120.444 119.914 0.076 0.000 3.013 135 V HA 0.249 4.373 4.120 0.006 0.000 0.238 135 V C 0.666 176.863 176.094 0.172 0.000 1.161 135 V CA 0.754 63.148 62.300 0.157 0.000 1.170 135 V CB 0.125 32.050 31.823 0.170 0.000 0.917 135 V HN 0.420 nan 8.190 nan 0.000 0.478 136 T N 0.658 115.226 114.554 0.023 0.000 2.856 136 T HA 0.696 5.050 4.350 0.006 0.000 0.283 136 T C -1.164 173.478 174.700 -0.096 0.000 1.008 136 T CA -0.202 61.835 62.100 -0.106 0.000 0.997 136 T CB 2.671 71.403 68.868 -0.226 0.000 0.992 136 T HN 0.002 nan 8.240 nan 0.000 0.454 137 V N 3.140 122.981 119.914 -0.121 0.000 2.789 137 V HA 0.533 4.657 4.120 0.006 0.000 0.311 137 V C -1.228 174.797 176.094 -0.116 0.000 1.073 137 V CA -0.930 61.308 62.300 -0.105 0.000 0.921 137 V CB 2.237 33.978 31.823 -0.136 0.000 1.009 137 V HN 0.827 nan 8.190 nan 0.000 0.426 138 N N 4.369 123.043 118.700 -0.044 0.000 2.508 138 N HA 0.510 5.253 4.740 0.006 0.000 0.285 138 N C -0.910 174.606 175.510 0.011 0.000 1.144 138 N CA -0.465 52.586 53.050 0.002 0.000 0.978 138 N CB 1.558 40.122 38.487 0.128 0.000 1.180 138 N HN 0.754 nan 8.380 nan 0.000 0.484 139 K N -0.306 120.101 120.400 0.011 0.000 2.316 139 K HA 0.497 4.821 4.320 0.006 0.000 0.251 139 K C -1.087 175.524 176.600 0.019 0.000 0.934 139 K CA -0.914 55.377 56.287 0.005 0.000 0.802 139 K CB 1.671 34.106 32.500 -0.108 0.000 1.171 139 K HN 0.209 nan 8.250 nan 0.000 0.426 140 L N 4.012 125.197 121.223 -0.064 0.000 2.283 140 L HA 0.202 4.546 4.340 0.006 0.000 0.287 140 L C 0.126 176.886 176.870 -0.183 0.000 1.073 140 L CA -0.237 54.444 54.840 -0.266 0.000 0.822 140 L CB 0.388 42.011 42.059 -0.727 0.000 1.186 140 L HN 0.830 nan 8.230 nan 0.000 0.436 141 I N 2.305 122.799 120.570 -0.127 0.000 2.584 141 I HA 0.009 4.183 4.170 0.006 0.000 0.255 141 I C 1.446 177.500 176.117 -0.105 0.000 1.145 141 I CA 0.592 61.835 61.300 -0.096 0.000 1.462 141 I CB -0.509 37.452 38.000 -0.064 0.000 1.102 141 I HN 0.767 nan 8.210 nan 0.000 0.433 142 S N 2.402 118.028 115.700 -0.123 0.000 3.869 142 S HA -0.164 4.310 4.470 0.006 0.000 0.454 142 S C 0.517 175.055 174.600 -0.104 0.000 0.849 142 S CA 0.248 58.378 58.200 -0.117 0.000 1.820 142 S CB -0.941 62.166 63.200 -0.156 0.000 1.054 142 S HN 0.317 nan 8.310 nan 0.000 0.599 143 N N 3.938 122.592 118.700 -0.076 0.000 3.178 143 N HA 0.576 5.319 4.740 0.006 0.000 0.352 143 N C -2.813 172.666 175.510 -0.052 0.000 1.423 143 N CA -1.267 51.745 53.050 -0.064 0.000 0.698 143 N CB -0.169 38.286 38.487 -0.053 0.000 1.400 143 N HN 0.318 nan 8.380 nan 0.000 0.586 144 P HA 0.276 nan 4.420 nan 0.000 0.276 144 P C -0.618 176.664 177.300 -0.031 0.000 1.264 144 P CA 0.080 63.160 63.100 -0.035 0.000 0.769 144 P CB 0.164 31.847 31.700 -0.028 0.000 0.840 145 G N 2.251 111.032 108.800 -0.031 0.000 2.372 145 G HA2 0.033 3.997 3.960 0.006 0.000 0.207 145 G HA3 0.033 3.997 3.960 0.006 0.000 0.207 145 G C -0.445 174.437 174.900 -0.030 0.000 1.473 145 G CA -0.667 44.416 45.100 -0.027 0.000 1.183 145 G HN 0.595 nan 8.290 nan 0.000 0.607 146 E N -0.511 119.672 120.200 -0.028 0.000 2.442 146 E HA -0.199 4.155 4.350 0.006 0.000 0.177 146 E C 0.814 177.392 176.600 -0.038 0.000 1.505 146 E CA 0.533 56.916 56.400 -0.028 0.000 0.662 146 E CB -1.071 28.615 29.700 -0.023 0.000 1.117 146 E HN 1.922 nan 8.360 nan 0.000 0.375 147 V N 1.053 120.942 119.914 -0.042 0.000 2.441 147 V HA 0.146 4.270 4.120 0.006 0.000 0.279 147 V C 0.515 176.574 176.094 -0.058 0.000 0.990 147 V CA 0.406 62.672 62.300 -0.057 0.000 1.116 147 V CB 0.572 32.363 31.823 -0.053 0.000 0.977 147 V HN 0.595 nan 8.190 nan 0.000 0.470 148 E N 3.063 123.219 120.200 -0.074 0.000 5.658 148 E HA -0.055 4.298 4.350 0.006 0.000 0.232 148 E C -0.476 176.095 176.600 -0.047 0.000 1.059 148 E CA 0.075 56.433 56.400 -0.069 0.000 1.368 148 E CB -0.509 29.169 29.700 -0.037 0.000 0.983 148 E HN 1.010 nan 8.360 nan 0.000 0.377 149 R N 1.499 121.962 120.500 -0.063 0.000 2.561 149 R HA 0.568 4.912 4.340 0.006 0.000 0.297 149 R C -0.023 176.250 176.300 -0.046 0.000 0.969 149 R CA -0.788 55.287 56.100 -0.041 0.000 0.879 149 R CB 2.009 32.284 30.300 -0.043 0.000 1.178 149 R HN 0.046 nan 8.270 nan 0.000 0.445 150 K N 1.800 122.192 120.400 -0.014 0.000 2.422 150 K HA 0.531 4.854 4.320 0.006 0.000 0.251 150 K C -1.117 175.479 176.600 -0.007 0.000 0.933 150 K CA -1.195 55.092 56.287 0.000 0.000 0.798 150 K CB 2.592 35.133 32.500 0.068 0.000 1.238 150 K HN 0.112 nan 8.250 nan 0.000 0.428 151 K N 0.619 121.006 120.400 -0.022 0.000 2.156 151 K HA 0.476 4.800 4.320 0.006 0.000 0.254 151 K C -0.554 176.007 176.600 -0.065 0.000 0.950 151 K CA -0.362 55.899 56.287 -0.043 0.000 0.849 151 K CB 1.882 34.356 32.500 -0.044 0.000 1.100 151 K HN 0.834 nan 8.250 nan 0.000 0.434 152 G N 2.750 111.485 108.800 -0.108 0.000 2.389 152 G HA2 0.647 4.611 3.960 0.006 0.000 0.328 152 G HA3 0.647 4.611 3.960 0.006 0.000 0.328 152 G C -0.744 174.016 174.900 -0.234 0.000 1.133 152 G CA -0.671 44.323 45.100 -0.176 0.000 0.891 152 G HN 0.694 nan 8.290 nan 0.000 0.485 153 I N -1.781 118.629 120.570 -0.267 0.000 2.994 153 I HA 0.707 4.881 4.170 0.006 0.000 0.306 153 I C -1.376 174.579 176.117 -0.270 0.000 1.195 153 I CA -1.430 59.731 61.300 -0.231 0.000 1.001 153 I CB 2.353 40.315 38.000 -0.063 0.000 1.244 153 I HN 0.315 nan 8.210 nan 0.000 0.437 154 F N 2.639 122.625 119.950 0.060 0.000 2.397 154 F HA 0.851 5.382 4.527 0.006 0.000 0.331 154 F C 0.629 176.504 175.800 0.124 0.000 1.090 154 F CA -0.378 57.662 58.000 0.067 0.000 1.065 154 F CB 1.922 40.967 39.000 0.075 0.000 1.184 154 F HN 0.770 nan 8.300 nan 0.000 0.499 155 A N 2.131 125.142 122.820 0.317 0.000 2.594 155 A HA 0.551 4.875 4.320 0.006 0.000 0.295 155 A C -0.632 177.087 177.584 0.224 0.000 1.071 155 A CA -0.750 51.469 52.037 0.302 0.000 0.685 155 A CB 1.375 20.544 19.000 0.281 0.000 1.285 155 A HN 0.662 nan 8.150 nan 0.000 0.405 156 N N -0.649 118.175 118.700 0.206 0.000 2.571 156 N HA 0.266 5.010 4.740 0.006 0.000 0.195 156 N C -0.452 175.149 175.510 0.152 0.000 1.040 156 N CA 0.713 53.851 53.050 0.145 0.000 0.890 156 N CB 0.165 38.711 38.487 0.099 0.000 1.233 156 N HN 0.548 nan 8.380 nan 0.000 0.435 157 L N 0.876 122.210 121.223 0.185 0.000 2.436 157 L HA 0.570 4.914 4.340 0.006 0.000 0.268 157 L C -1.665 175.349 176.870 0.239 0.000 0.974 157 L CA -0.478 54.473 54.840 0.185 0.000 0.826 157 L CB 1.660 43.813 42.059 0.158 0.000 1.291 157 L HN -0.023 nan 8.230 nan 0.000 0.406 158 I N 6.381 127.077 120.570 0.210 0.000 2.382 158 I HA 0.409 4.582 4.170 0.006 0.000 0.285 158 I C -0.606 175.635 176.117 0.207 0.000 1.007 158 I CA -0.369 61.038 61.300 0.179 0.000 1.142 158 I CB 1.505 39.555 38.000 0.083 0.000 1.289 158 I HN 0.480 nan 8.210 nan 0.000 0.453 159 I N 6.398 127.085 120.570 0.195 0.000 2.307 159 I HA 0.326 4.500 4.170 0.006 0.000 0.289 159 I C -0.304 175.999 176.117 0.310 0.000 1.021 159 I CA -0.228 61.253 61.300 0.302 0.000 1.224 159 I CB 0.640 38.825 38.000 0.309 0.000 1.376 159 I HN 0.364 nan 8.210 nan 0.000 0.470 160 F N 3.395 123.568 119.950 0.371 0.000 2.377 160 F HA 0.611 5.141 4.527 0.006 0.000 0.335 160 F C 1.325 177.371 175.800 0.409 0.000 1.099 160 F CA -0.148 58.075 58.000 0.371 0.000 1.072 160 F CB 0.486 39.762 39.000 0.460 0.000 1.417 160 F HN 0.352 nan 8.300 nan 0.000 0.495 161 G N -0.261 108.819 108.800 0.465 0.000 2.535 161 G HA2 0.450 4.414 3.960 0.006 0.000 0.282 161 G HA3 0.450 4.414 3.960 0.006 0.000 0.282 161 G C -2.690 172.441 174.900 0.385 0.000 1.350 161 G CA -1.310 43.972 45.100 0.303 0.000 1.039 161 G HN 0.338 nan 8.290 nan 0.000 0.509 162 P HA 0.203 nan 4.420 nan 0.000 0.272 162 P C 0.411 177.788 177.300 0.128 0.000 1.230 162 P CA 0.057 63.241 63.100 0.139 0.000 0.788 162 P CB 1.231 32.929 31.700 -0.004 0.000 0.949 163 G N 1.211 109.966 108.800 -0.074 0.000 2.531 163 G HA2 0.266 4.230 3.960 0.006 0.000 0.253 163 G HA3 0.266 4.230 3.960 0.006 0.000 0.253 163 G C -1.690 172.880 174.900 -0.551 0.000 1.439 163 G CA -1.100 43.831 45.100 -0.281 0.000 1.056 163 G HN 0.229 nan 8.290 nan 0.000 0.555 164 P HA -0.073 nan 4.420 nan 0.000 0.216 164 P C 0.532 177.345 177.300 -0.811 0.000 1.157 164 P CA 0.800 63.175 63.100 -1.207 0.000 0.880 164 P CB 0.064 31.148 31.700 -1.027 0.000 0.791 165 V N 1.253 120.701 119.914 -0.778 0.000 2.320 165 V HA 0.052 4.176 4.120 0.006 0.000 0.265 165 V C 1.774 177.586 176.094 -0.471 0.000 1.048 165 V CA -0.017 61.847 62.300 -0.726 0.000 0.865 165 V CB 0.058 31.578 31.823 -0.505 0.000 1.043 165 V HN 0.038 nan 8.190 nan 0.000 0.474 166 L N 3.631 124.583 121.223 -0.452 0.000 2.021 166 L HA -0.199 4.145 4.340 0.006 0.000 0.215 166 L C 2.187 178.921 176.870 -0.228 0.000 1.074 166 L CA 1.961 56.592 54.840 -0.347 0.000 0.760 166 L CB -0.471 41.310 42.059 -0.464 0.000 0.889 166 L HN 0.904 nan 8.230 nan 0.000 0.433 167 N N 0.128 118.733 118.700 -0.159 0.000 2.362 167 N HA -0.103 4.641 4.740 0.006 0.000 0.204 167 N C 0.273 175.723 175.510 -0.101 0.000 1.166 167 N CA 0.260 53.254 53.050 -0.094 0.000 0.831 167 N CB 0.054 38.526 38.487 -0.026 0.000 1.008 167 N HN 0.410 nan 8.380 nan 0.000 0.472 168 E N 0.996 121.109 120.200 -0.145 0.000 2.597 168 E HA 0.174 4.528 4.350 0.006 0.000 0.235 168 E C -0.738 175.800 176.600 -0.103 0.000 1.155 168 E CA -0.565 55.758 56.400 -0.128 0.000 1.199 168 E CB -0.022 29.566 29.700 -0.186 0.000 1.409 168 E HN 0.213 nan 8.360 nan 0.000 0.453 169 N N 2.408 121.084 118.700 -0.039 0.000 2.454 169 N HA 0.019 4.763 4.740 0.006 0.000 0.254 169 N C -0.241 175.305 175.510 0.060 0.000 1.228 169 N CA 0.628 53.705 53.050 0.045 0.000 0.900 169 N CB 1.014 39.591 38.487 0.149 0.000 1.089 169 N HN 0.467 nan 8.380 nan 0.000 0.449 170 E N 0.392 120.628 120.200 0.060 0.000 2.354 170 E HA 0.197 4.550 4.350 0.006 0.000 0.283 170 E C -1.502 175.119 176.600 0.035 0.000 0.938 170 E CA -0.533 55.882 56.400 0.026 0.000 0.777 170 E CB 1.352 31.018 29.700 -0.058 0.000 1.222 170 E HN 0.314 nan 8.360 nan 0.000 0.423 171 T N 4.265 118.837 114.554 0.032 0.000 2.837 171 T HA 0.512 4.865 4.350 0.006 0.000 0.285 171 T C -0.046 174.663 174.700 0.016 0.000 0.984 171 T CA -0.231 61.897 62.100 0.047 0.000 1.049 171 T CB 0.299 69.211 68.868 0.073 0.000 0.947 171 T HN 0.297 nan 8.240 nan 0.000 0.472 172 I N 3.602 124.214 120.570 0.070 0.000 2.509 172 I HA 0.383 4.557 4.170 0.006 0.000 0.293 172 I C -0.552 175.658 176.117 0.154 0.000 1.020 172 I CA -1.101 60.273 61.300 0.124 0.000 1.088 172 I CB 2.055 40.178 38.000 0.206 0.000 1.267 172 I HN 0.628 nan 8.210 nan 0.000 0.430 173 D N 6.180 126.691 120.400 0.184 0.000 2.272 173 D HA 0.498 5.142 4.640 0.006 0.000 0.247 173 D C -0.479 176.065 176.300 0.408 0.000 0.990 173 D CA -0.525 53.616 54.000 0.236 0.000 0.931 173 D CB 1.829 42.739 40.800 0.184 0.000 1.195 173 D HN 0.280 nan 8.370 nan 0.000 0.477 174 I N 0.504 121.290 120.570 0.360 0.000 2.304 174 I HA 0.432 4.605 4.170 0.006 0.000 0.291 174 I C 0.806 177.065 176.117 0.236 0.000 1.018 174 I CA -0.594 60.904 61.300 0.330 0.000 1.260 174 I CB 1.370 39.455 38.000 0.142 0.000 1.390 174 I HN 0.430 nan 8.210 nan 0.000 0.475 175 G N 7.337 116.121 108.800 -0.027 0.000 2.388 175 G HA2 0.782 4.746 3.960 0.006 0.000 0.330 175 G HA3 0.782 4.746 3.960 0.006 0.000 0.330 175 G C -0.770 173.901 174.900 -0.382 0.000 1.142 175 G CA -0.424 44.160 45.100 -0.859 0.000 0.908 175 G HN 0.511 nan 8.290 nan 0.000 0.473 176 I N 0.656 121.026 120.570 -0.335 0.000 2.534 176 I HA 0.269 4.442 4.170 0.006 0.000 0.288 176 I C 0.232 176.273 176.117 -0.127 0.000 1.077 176 I CA -0.522 60.680 61.300 -0.163 0.000 1.051 176 I CB 2.352 40.296 38.000 -0.093 0.000 1.234 176 I HN 0.739 nan 8.210 nan 0.000 0.425 177 Q N 5.100 124.845 119.800 -0.092 0.000 2.468 177 Q HA -0.268 4.076 4.340 0.006 0.000 0.289 177 Q C 0.190 176.183 176.000 -0.012 0.000 1.299 177 Q CA 1.346 57.126 55.803 -0.039 0.000 0.838 177 Q CB -1.115 27.615 28.738 -0.014 0.000 1.195 177 Q HN 0.948 nan 8.270 nan 0.000 0.456 178 N N -2.318 116.301 118.700 -0.135 0.000 2.936 178 N HA -0.224 4.520 4.740 0.006 0.000 0.236 178 N C -0.612 174.652 175.510 -0.409 0.000 0.930 178 N CA 0.930 53.846 53.050 -0.224 0.000 0.966 178 N CB -0.631 37.767 38.487 -0.147 0.000 1.090 178 N HN 0.564 nan 8.380 nan 0.000 0.592 179 H N -0.744 118.157 119.070 -0.282 0.000 2.679 179 H HA 0.449 5.009 4.556 0.006 0.000 0.367 179 H C -0.941 174.161 175.328 -0.377 0.000 1.162 179 H CA -0.223 55.711 56.048 -0.189 0.000 1.181 179 H CB 0.989 30.715 29.762 -0.061 0.000 1.693 179 H HN -0.095 nan 8.280 nan 0.000 0.538 180 F N 0.134 120.181 119.950 0.161 0.000 2.445 180 F HA 0.303 4.834 4.527 0.007 0.000 0.348 180 F C 1.141 177.038 175.800 0.162 0.000 1.125 180 F CA -0.642 57.438 58.000 0.132 0.000 0.983 180 F CB 1.578 40.646 39.000 0.112 0.000 1.198 180 F HN 0.672 nan 8.300 nan 0.000 0.436 181 A N 1.526 124.501 122.820 0.259 0.000 2.024 181 A HA -0.159 4.164 4.320 0.006 0.000 0.220 181 A C 2.135 179.948 177.584 0.383 0.000 1.164 181 A CA 1.957 54.152 52.037 0.263 0.000 0.643 181 A CB -0.743 18.325 19.000 0.114 0.000 0.806 181 A HN 0.713 nan 8.150 nan 0.000 0.451 182 S N -0.936 114.967 115.700 0.338 0.000 2.607 182 S HA 0.028 4.502 4.470 0.006 0.000 0.224 182 S C 1.314 176.077 174.600 0.271 0.000 0.969 182 S CA 0.582 58.957 58.200 0.293 0.000 0.927 182 S CB -0.166 63.183 63.200 0.248 0.000 0.772 182 S HN 0.652 nan 8.310 nan 0.000 0.533 183 R N 0.251 120.930 120.500 0.298 0.000 2.508 183 R HA 0.328 4.672 4.340 0.006 0.000 0.300 183 R C -0.065 176.391 176.300 0.260 0.000 0.970 183 R CA 0.050 56.290 56.100 0.235 0.000 1.102 183 R CB 0.371 30.782 30.300 0.186 0.000 1.246 183 R HN 0.417 nan 8.270 nan 0.000 0.539 184 E N -0.061 120.338 120.200 0.332 0.000 3.105 184 E HA 0.185 4.539 4.350 0.006 0.000 0.198 184 E C 0.355 177.064 176.600 0.182 0.000 0.976 184 E CA 0.044 56.636 56.400 0.319 0.000 1.219 184 E CB 1.474 31.443 29.700 0.449 0.000 1.081 184 E HN 0.374 nan 8.360 nan 0.000 0.464 185 G N 0.345 109.260 108.800 0.192 0.000 2.245 185 G HA2 -0.377 3.587 3.960 0.006 0.000 0.264 185 G HA3 -0.377 3.587 3.960 0.006 0.000 0.264 185 G C 0.636 175.468 174.900 -0.113 0.000 0.985 185 G CA 0.694 45.841 45.100 0.078 0.000 0.625 185 G HN 0.355 nan 8.290 nan 0.000 0.536 186 F N 0.986 120.992 119.950 0.094 0.000 2.123 186 F HA 0.442 4.973 4.527 0.006 0.000 0.289 186 F C 2.026 177.920 175.800 0.156 0.000 1.099 186 F CA 1.839 59.885 58.000 0.076 0.000 1.234 186 F CB -0.469 38.568 39.000 0.062 0.000 1.034 186 F HN 1.083 nan 8.300 nan 0.000 0.479 187 G N -0.701 108.324 108.800 0.374 0.000 2.662 187 G HA2 0.378 4.341 3.960 0.006 0.000 0.686 187 G HA3 0.378 4.341 3.960 0.006 0.000 0.686 187 G C -0.572 174.470 174.900 0.235 0.000 1.271 187 G CA -0.738 44.515 45.100 0.254 0.000 0.816 187 G HN 0.890 nan 8.290 nan 0.000 0.608 188 G N -1.031 107.880 108.800 0.186 0.000 2.632 188 G HA2 0.670 4.634 3.960 0.006 0.000 0.292 188 G HA3 0.670 4.634 3.960 0.006 0.000 0.292 188 G C -0.152 174.827 174.900 0.133 0.000 1.465 188 G CA -0.378 44.818 45.100 0.159 0.000 0.824 188 G HN 1.247 nan 8.290 nan 0.000 0.509 189 I N 1.481 122.118 120.570 0.111 0.000 2.996 189 I HA -0.088 4.086 4.170 0.006 0.000 0.311 189 I C 0.429 176.598 176.117 0.087 0.000 1.219 189 I CA 0.669 62.025 61.300 0.094 0.000 1.452 189 I CB 0.257 38.288 38.000 0.052 0.000 1.319 189 I HN 0.162 nan 8.210 nan 0.000 0.564 190 M N 6.228 125.890 119.600 0.102 0.000 2.508 190 M HA 0.460 4.944 4.480 0.006 0.000 0.327 190 M C -0.497 175.875 176.300 0.120 0.000 1.160 190 M CA -0.528 54.837 55.300 0.108 0.000 0.980 190 M CB 1.837 34.507 32.600 0.117 0.000 1.693 190 M HN 0.527 nan 8.290 nan 0.000 0.452 191 Q N 1.707 121.584 119.800 0.129 0.000 2.416 191 Q HA 0.841 5.184 4.340 0.006 0.000 0.279 191 Q C -1.112 175.007 176.000 0.198 0.000 1.101 191 Q CA -0.758 55.170 55.803 0.208 0.000 0.830 191 Q CB 3.860 32.721 28.738 0.206 0.000 1.402 191 Q HN 0.707 nan 8.270 nan 0.000 0.445 192 M N 1.320 121.087 119.600 0.278 0.000 2.413 192 M HA 0.382 4.866 4.480 0.006 0.000 0.287 192 M C -2.143 174.314 176.300 0.261 0.000 1.186 192 M CA -0.663 54.761 55.300 0.207 0.000 0.927 192 M CB 2.276 35.009 32.600 0.222 0.000 1.715 192 M HN 0.590 nan 8.290 nan 0.000 0.478 193 K N 3.348 123.815 120.400 0.111 0.000 2.293 193 K HA 0.654 4.978 4.320 0.006 0.000 0.267 193 K C -1.583 175.194 176.600 0.295 0.000 1.010 193 K CA -0.504 55.871 56.287 0.147 0.000 0.875 193 K CB 1.768 34.176 32.500 -0.154 0.000 1.106 193 K HN 0.492 nan 8.250 nan 0.000 0.450 194 F N 2.280 122.387 119.950 0.261 0.000 2.588 194 F HA 0.552 5.083 4.527 0.006 0.000 0.310 194 F C -1.599 174.412 175.800 0.352 0.000 1.082 194 F CA -1.002 57.150 58.000 0.253 0.000 0.929 194 F CB 1.928 41.080 39.000 0.253 0.000 1.254 194 F HN 0.769 nan 8.300 nan 0.000 0.455 195 C N 8.661 127.527 119.300 -0.724 0.000 2.442 195 C HA 0.505 4.968 4.460 0.006 0.000 0.335 195 C C -1.779 172.751 174.990 -0.765 0.000 1.134 195 C CA -1.474 57.323 59.018 -0.368 0.000 1.344 195 C CB 1.143 28.757 27.740 -0.210 0.000 1.956 195 C HN 0.747 nan 8.230 nan 0.000 0.438 196 P HA -0.024 nan 4.420 nan 0.000 0.225 196 P C 0.773 178.009 177.300 -0.106 0.000 1.156 196 P CA 1.428 64.415 63.100 -0.190 0.000 0.787 196 P CB 0.598 32.340 31.700 0.070 0.000 0.802 197 E N -0.983 119.179 120.200 -0.064 0.000 2.102 197 E HA -0.029 4.325 4.350 0.006 0.000 0.190 197 E C 0.049 176.453 176.600 -0.325 0.000 0.971 197 E CA 0.595 56.887 56.400 -0.179 0.000 0.821 197 E CB -0.295 29.287 29.700 -0.196 0.000 0.777 197 E HN 0.317 nan 8.360 nan 0.000 0.460 198 Y N 1.283 121.501 120.300 -0.137 0.000 2.518 198 Y HA 0.245 4.798 4.550 0.006 0.000 0.344 198 Y C 0.091 175.911 175.900 -0.133 0.000 0.982 198 Y CA -1.078 56.931 58.100 -0.152 0.000 1.234 198 Y CB 0.514 38.871 38.460 -0.171 0.000 1.114 198 Y HN -0.184 nan 8.280 nan 0.000 0.515 199 V N 0.048 119.957 119.914 -0.007 0.000 2.881 199 V HA 0.745 4.868 4.120 0.006 0.000 0.316 199 V C 0.194 176.308 176.094 0.034 0.000 1.070 199 V CA -1.176 61.138 62.300 0.022 0.000 0.976 199 V CB 1.611 33.480 31.823 0.076 0.000 1.038 199 V HN 0.668 nan 8.190 nan 0.000 0.446 200 S N 2.026 117.765 115.700 0.065 0.000 2.579 200 S HA 0.600 5.074 4.470 0.006 0.000 0.275 200 S C -0.179 174.489 174.600 0.113 0.000 1.345 200 S CA -0.465 57.782 58.200 0.079 0.000 1.031 200 S CB 1.095 64.349 63.200 0.091 0.000 0.892 200 S HN 1.154 nan 8.310 nan 0.000 0.529 201 V N 2.909 122.865 119.914 0.070 0.000 2.680 201 V HA 0.796 4.920 4.120 0.006 0.000 0.309 201 V C -0.574 175.557 176.094 0.061 0.000 1.052 201 V CA -0.813 61.472 62.300 -0.025 0.000 0.908 201 V CB 1.108 32.871 31.823 -0.100 0.000 1.001 201 V HN 0.947 nan 8.190 nan 0.000 0.431 202 F N 1.588 121.549 119.950 0.019 0.000 2.645 202 F HA 0.863 5.393 4.527 0.005 0.000 0.310 202 F C -0.948 174.887 175.800 0.058 0.000 1.102 202 F CA -1.369 56.639 58.000 0.014 0.000 0.952 202 F CB 1.870 40.862 39.000 -0.014 0.000 1.326 202 F HN 0.507 nan 8.300 nan 0.000 0.456 203 N N -0.689 118.126 118.700 0.192 0.000 2.371 203 N HA 0.409 5.153 4.740 0.006 0.000 0.291 203 N C -1.224 174.381 175.510 0.159 0.000 1.053 203 N CA -0.596 52.535 53.050 0.135 0.000 0.870 203 N CB 0.953 39.451 38.487 0.017 0.000 1.503 203 N HN 1.076 nan 8.380 nan 0.000 0.485 204 N N 0.935 119.729 118.700 0.156 0.000 2.418 204 N HA 0.332 5.075 4.740 0.006 0.000 0.277 204 N C 1.697 177.238 175.510 0.052 0.000 1.317 204 N CA 0.096 53.207 53.050 0.101 0.000 0.922 204 N CB -0.263 38.259 38.487 0.058 0.000 1.194 204 N HN 0.824 nan 8.380 nan 0.000 0.485 205 V N 1.100 121.062 119.914 0.080 0.000 2.282 205 V HA -0.250 3.873 4.120 0.006 0.000 0.249 205 V C 2.692 178.795 176.094 0.016 0.000 1.057 205 V CA 3.439 65.758 62.300 0.032 0.000 1.032 205 V CB -1.442 30.495 31.823 0.191 0.000 0.645 205 V HN 0.989 nan 8.190 nan 0.000 0.447 206 Q N -0.346 119.495 119.800 0.068 0.000 2.172 206 Q HA 0.142 4.486 4.340 0.006 0.000 0.200 206 Q C 1.830 177.867 176.000 0.061 0.000 0.964 206 Q CA 2.617 58.462 55.803 0.069 0.000 0.855 206 Q CB -0.951 27.837 28.738 0.084 0.000 0.918 206 Q HN 1.102 nan 8.270 nan 0.000 0.444 207 E N -0.270 119.964 120.200 0.057 0.000 3.753 207 E HA 0.563 4.917 4.350 0.006 0.000 0.554 207 E C 0.459 177.098 176.600 0.064 0.000 0.301 207 E CA 0.569 57.011 56.400 0.070 0.000 3.317 207 E CB -0.500 29.250 29.700 0.083 0.000 2.350 207 E HN 1.535 nan 8.360 nan 0.000 0.382 208 N N -2.612 116.144 118.700 0.093 0.000 3.217 208 N HA 0.565 5.309 4.740 0.006 0.000 0.236 208 N C -0.575 175.019 175.510 0.139 0.000 1.136 208 N CA 0.199 53.303 53.050 0.090 0.000 0.997 208 N CB 0.724 39.274 38.487 0.106 0.000 1.658 208 N HN 0.993 nan 8.380 nan 0.000 0.527 209 K N 0.130 120.586 120.400 0.093 0.000 2.187 209 K HA 0.663 4.987 4.320 0.006 0.000 0.242 209 K C 1.545 178.143 176.600 -0.004 0.000 1.179 209 K CA 0.551 56.855 56.287 0.028 0.000 1.097 209 K CB -0.699 31.768 32.500 -0.056 0.000 1.634 209 K HN 2.569 nan 8.250 nan 0.000 0.335 210 G N -0.023 108.796 108.800 0.031 0.000 2.189 210 G HA2 0.103 4.067 3.960 0.006 0.000 0.267 210 G HA3 0.103 4.067 3.960 0.006 0.000 0.267 210 G C 0.813 175.751 174.900 0.063 0.000 0.975 210 G CA 0.910 46.031 45.100 0.034 0.000 0.644 210 G HN 2.398 nan 8.290 nan 0.000 0.537 211 A N -2.449 120.421 122.820 0.082 0.000 2.475 211 A HA 0.446 4.770 4.320 0.006 0.000 0.295 211 A C 0.856 178.501 177.584 0.101 0.000 1.457 211 A CA 2.178 54.276 52.037 0.102 0.000 0.734 211 A CB -1.629 17.429 19.000 0.096 0.000 1.118 211 A HN 2.721 nan 8.150 nan 0.000 0.400 212 S N -1.244 114.517 115.700 0.102 0.000 2.609 212 S HA 0.811 5.284 4.470 0.006 0.000 0.250 212 S C 0.981 175.628 174.600 0.078 0.000 1.112 212 S CA 0.282 58.546 58.200 0.108 0.000 1.102 212 S CB 0.085 63.349 63.200 0.106 0.000 1.124 212 S HN 2.053 nan 8.310 nan 0.000 0.460 213 I N 0.711 121.281 120.570 0.001 0.000 2.493 213 I HA 0.209 4.382 4.170 0.006 0.000 0.254 213 I C 1.729 177.678 176.117 -0.281 0.000 1.160 213 I CA 1.504 62.693 61.300 -0.184 0.000 1.445 213 I CB -1.475 36.281 38.000 -0.407 0.000 1.086 213 I HN 0.757 nan 8.210 nan 0.000 0.433 214 F N 0.045 120.011 119.950 0.028 0.000 2.569 214 F HA 0.175 4.707 4.527 0.007 0.000 0.295 214 F C 1.478 177.298 175.800 0.033 0.000 1.115 214 F CA 0.427 58.445 58.000 0.029 0.000 1.450 214 F CB -0.084 38.934 39.000 0.029 0.000 1.107 214 F HN 0.308 nan 8.300 nan 0.000 0.563 215 N N 0.669 119.476 118.700 0.179 0.000 2.447 215 N HA 0.224 4.967 4.740 0.006 0.000 0.271 215 N C -0.060 175.495 175.510 0.075 0.000 1.226 215 N CA -0.425 52.695 53.050 0.118 0.000 0.980 215 N CB 0.768 39.313 38.487 0.097 0.000 1.206 215 N HN -0.030 nan 8.380 nan 0.000 0.558 216 R N -0.060 120.478 120.500 0.064 0.000 2.784 216 R HA 0.134 4.478 4.340 0.006 0.000 0.266 216 R C 0.010 176.313 176.300 0.005 0.000 1.044 216 R CA 0.275 56.402 56.100 0.045 0.000 1.151 216 R CB 0.437 30.784 30.300 0.078 0.000 1.037 216 R HN 0.658 nan 8.270 nan 0.000 0.478 217 R N -0.550 119.935 120.500 -0.026 0.000 2.799 217 R HA 0.733 5.077 4.340 0.006 0.000 0.270 217 R C -0.656 175.569 176.300 -0.125 0.000 1.010 217 R CA -0.329 55.733 56.100 -0.063 0.000 0.916 217 R CB 1.401 31.703 30.300 0.003 0.000 1.228 217 R HN 0.768 nan 8.270 nan 0.000 0.469 218 G N -0.455 108.247 108.800 -0.163 0.000 2.631 218 G HA2 -0.032 3.932 3.960 0.006 0.000 0.504 218 G HA3 -0.032 3.932 3.960 0.006 0.000 0.504 218 G C -1.728 172.924 174.900 -0.413 0.000 1.306 218 G CA -0.522 44.478 45.100 -0.166 0.000 0.897 218 G HN 0.512 nan 8.290 nan 0.000 0.520 219 Y N -0.854 119.043 120.300 -0.672 0.000 2.512 219 Y HA 0.684 5.238 4.550 0.006 0.000 0.348 219 Y C 0.546 175.918 175.900 -0.879 0.000 0.990 219 Y CA -0.898 56.709 58.100 -0.822 0.000 1.033 219 Y CB 1.780 39.672 38.460 -0.947 0.000 1.259 219 Y HN 0.778 nan 8.280 nan 0.000 0.461 220 F N -1.148 118.543 119.950 -0.431 0.000 2.397 220 F HA 0.811 5.342 4.527 0.006 0.000 0.331 220 F C 0.172 175.925 175.800 -0.077 0.000 1.090 220 F CA -1.143 56.656 58.000 -0.335 0.000 1.065 220 F CB 0.710 39.442 39.000 -0.447 0.000 1.184 220 F HN 0.264 nan 8.300 nan 0.000 0.499 221 S N 0.664 116.544 115.700 0.300 0.000 2.592 221 S HA 0.044 4.518 4.470 0.006 0.000 0.271 221 S C -0.545 174.322 174.600 0.445 0.000 1.326 221 S CA -0.553 57.871 58.200 0.372 0.000 1.024 221 S CB 0.416 63.805 63.200 0.316 0.000 0.921 221 S HN 0.725 nan 8.310 nan 0.000 0.527 222 D N 2.296 122.954 120.400 0.430 0.000 2.316 222 D HA 0.175 4.819 4.640 0.006 0.000 0.245 222 D C -1.354 175.157 176.300 0.352 0.000 1.171 222 D CA -2.109 52.217 54.000 0.543 0.000 0.856 222 D CB 1.308 42.376 40.800 0.447 0.000 1.090 222 D HN 0.145 nan 8.370 nan 0.000 0.476 223 P HA -0.175 nan 4.420 nan 0.000 0.220 223 P C 0.973 178.425 177.300 0.253 0.000 1.144 223 P CA 0.781 64.029 63.100 0.247 0.000 0.800 223 P CB 0.290 32.072 31.700 0.137 0.000 0.772 224 A N -0.340 122.601 122.820 0.201 0.000 1.929 224 A HA -0.105 4.219 4.320 0.006 0.000 0.216 224 A C 2.199 179.768 177.584 -0.025 0.000 1.176 224 A CA 1.069 53.151 52.037 0.074 0.000 0.628 224 A CB -1.411 17.651 19.000 0.104 0.000 0.816 224 A HN 0.195 nan 8.150 nan 0.000 0.444 225 L N -0.236 121.002 121.223 0.026 0.000 2.179 225 L HA 0.046 4.390 4.340 0.006 0.000 0.208 225 L C 2.131 179.023 176.870 0.038 0.000 1.096 225 L CA 1.279 56.101 54.840 -0.030 0.000 0.779 225 L CB -0.265 41.789 42.059 -0.009 0.000 0.922 225 L HN 0.408 nan 8.230 nan 0.000 0.443 226 I N -1.220 119.428 120.570 0.129 0.000 2.286 226 I HA -0.268 3.905 4.170 0.006 0.000 0.248 226 I C 2.253 178.520 176.117 0.251 0.000 1.115 226 I CA 0.916 62.340 61.300 0.207 0.000 1.392 226 I CB -0.311 37.856 38.000 0.279 0.000 1.065 226 I HN 0.300 nan 8.210 nan 0.000 0.418 227 L N 0.438 121.744 121.223 0.140 0.000 2.072 227 L HA -0.124 4.220 4.340 0.006 0.000 0.205 227 L C 2.375 179.126 176.870 -0.198 0.000 1.079 227 L CA 1.796 56.519 54.840 -0.196 0.000 0.752 227 L CB -0.442 41.307 42.059 -0.518 0.000 0.906 227 L HN 0.138 nan 8.230 nan 0.000 0.436 228 M N -1.708 117.782 119.600 -0.184 0.000 2.296 228 M HA -0.200 4.283 4.480 0.006 0.000 0.265 228 M C 2.236 178.436 176.300 -0.167 0.000 1.064 228 M CA 1.539 56.704 55.300 -0.225 0.000 1.109 228 M CB -0.617 31.828 32.600 -0.259 0.000 1.396 228 M HN 0.433 nan 8.290 nan 0.000 0.430 229 H N 0.905 119.884 119.070 -0.152 0.000 2.321 229 H HA -0.123 4.437 4.556 0.006 0.000 0.300 229 H C 1.893 177.121 175.328 -0.168 0.000 1.087 229 H CA 1.842 57.800 56.048 -0.151 0.000 1.319 229 H CB 0.235 29.970 29.762 -0.044 0.000 1.379 229 H HN 0.193 nan 8.280 nan 0.000 0.501 230 E N 0.537 120.766 120.200 0.048 0.000 2.150 230 E HA -0.114 4.240 4.350 0.006 0.000 0.193 230 E C 2.523 179.082 176.600 -0.068 0.000 0.985 230 E CA 0.701 57.154 56.400 0.087 0.000 0.814 230 E CB -0.207 29.596 29.700 0.172 0.000 0.752 230 E HN 0.560 nan 8.360 nan 0.000 0.466 231 L N 0.488 121.609 121.223 -0.171 0.000 2.141 231 L HA -0.089 4.255 4.340 0.006 0.000 0.209 231 L C 2.437 179.129 176.870 -0.298 0.000 1.094 231 L CA 0.635 55.346 54.840 -0.214 0.000 0.763 231 L CB -0.328 41.563 42.059 -0.280 0.000 0.908 231 L HN 0.088 nan 8.230 nan 0.000 0.437 232 I N -1.046 119.274 120.570 -0.417 0.000 2.315 232 I HA -0.283 3.890 4.170 0.006 0.000 0.248 232 I C 2.551 178.244 176.117 -0.706 0.000 1.117 232 I CA 0.930 61.876 61.300 -0.590 0.000 1.404 232 I CB -0.484 37.143 38.000 -0.622 0.000 1.071 232 I HN 0.346 nan 8.210 nan 0.000 0.419 233 H N 0.109 118.924 119.070 -0.424 0.000 2.389 233 H HA -0.061 4.499 4.556 0.006 0.000 0.299 233 H C 2.493 177.730 175.328 -0.151 0.000 1.081 233 H CA 1.253 57.133 56.048 -0.280 0.000 1.345 233 H CB -0.229 29.450 29.762 -0.140 0.000 1.393 233 H HN 0.151 nan 8.280 nan 0.000 0.520 234 V N 1.268 121.178 119.914 -0.007 0.000 2.295 234 V HA -0.230 3.893 4.120 0.006 0.000 0.246 234 V C 2.711 178.818 176.094 0.022 0.000 1.049 234 V CA 1.458 63.773 62.300 0.025 0.000 1.024 234 V CB -0.734 31.092 31.823 0.005 0.000 0.648 234 V HN 0.188 nan 8.190 nan 0.000 0.447 235 L N 0.040 121.208 121.223 -0.092 0.000 2.013 235 L HA -0.252 4.092 4.340 0.006 0.000 0.212 235 L C 2.385 179.352 176.870 0.161 0.000 1.073 235 L CA 2.240 57.058 54.840 -0.037 0.000 0.753 235 L CB -0.942 40.946 42.059 -0.285 0.000 0.890 235 L HN 0.472 nan 8.230 nan 0.000 0.432 236 H N -1.614 117.475 119.070 0.031 0.000 2.353 236 H HA -0.101 4.458 4.556 0.006 0.000 0.300 236 H C 2.042 177.463 175.328 0.155 0.000 1.090 236 H CA 0.644 56.737 56.048 0.074 0.000 1.327 236 H CB -0.328 29.462 29.762 0.046 0.000 1.383 236 H HN 0.544 nan 8.280 nan 0.000 0.508 237 G N 0.558 109.515 108.800 0.263 0.000 2.422 237 G HA2 -0.175 3.788 3.960 0.006 0.000 0.218 237 G HA3 -0.175 3.788 3.960 0.006 0.000 0.218 237 G C 1.648 176.677 174.900 0.214 0.000 1.140 237 G CA 0.368 45.598 45.100 0.216 0.000 0.775 237 G HN 0.221 nan 8.290 nan 0.000 0.545 238 L N -1.137 120.208 121.223 0.204 0.000 2.141 238 L HA 0.023 4.366 4.340 0.006 0.000 0.209 238 L C 2.136 179.026 176.870 0.034 0.000 1.094 238 L CA 0.716 55.629 54.840 0.122 0.000 0.763 238 L CB -0.179 41.936 42.059 0.093 0.000 0.908 238 L HN 0.196 nan 8.230 nan 0.000 0.437 239 Y N -0.061 120.295 120.300 0.093 0.000 2.466 239 Y HA 0.201 4.754 4.550 0.006 0.000 0.272 239 Y C 1.676 177.746 175.900 0.283 0.000 1.169 239 Y CA 0.229 58.392 58.100 0.104 0.000 1.285 239 Y CB -0.164 38.357 38.460 0.102 0.000 1.078 239 Y HN 0.233 nan 8.280 nan 0.000 0.523 240 G N 1.807 110.819 108.800 0.354 0.000 2.249 240 G HA2 -0.307 3.656 3.960 0.006 0.000 0.273 240 G HA3 -0.307 3.656 3.960 0.006 0.000 0.273 240 G C 0.609 175.718 174.900 0.348 0.000 1.036 240 G CA 0.759 46.069 45.100 0.349 0.000 0.824 240 G HN 0.677 nan 8.290 nan 0.000 0.504 241 I N -3.309 117.439 120.570 0.296 0.000 3.856 241 I HA 0.531 4.705 4.170 0.006 0.000 0.330 241 I C 0.935 177.099 176.117 0.079 0.000 1.546 241 I CA -0.429 60.978 61.300 0.178 0.000 1.132 241 I CB 0.587 38.650 38.000 0.105 0.000 1.157 241 I HN 0.023 nan 8.210 nan 0.000 0.440 242 K N 2.916 123.394 120.400 0.130 0.000 3.226 242 K HA 0.208 4.532 4.320 0.006 0.000 0.268 242 K C 0.419 177.048 176.600 0.049 0.000 1.217 242 K CA -0.289 56.053 56.287 0.092 0.000 1.242 242 K CB -0.119 32.455 32.500 0.123 0.000 1.389 242 K HN 0.497 nan 8.250 nan 0.000 0.406 243 V N -1.418 118.528 119.914 0.054 0.000 3.139 243 V HA 0.142 4.265 4.120 0.006 0.000 0.307 243 V C -0.086 176.013 176.094 0.009 0.000 1.095 243 V CA -0.409 61.922 62.300 0.052 0.000 1.160 243 V CB 0.907 32.775 31.823 0.074 0.000 1.003 243 V HN 0.159 nan 8.190 nan 0.000 0.489 244 D N 1.768 122.175 120.400 0.012 0.000 2.248 244 D HA 0.680 5.324 4.640 0.006 0.000 0.246 244 D C -0.334 175.968 176.300 0.004 0.000 1.027 244 D CA -0.123 53.869 54.000 -0.013 0.000 0.853 244 D CB 1.696 42.483 40.800 -0.023 0.000 1.243 244 D HN 0.878 nan 8.370 nan 0.000 0.462 245 D N 0.210 120.604 120.400 -0.010 0.000 3.057 245 D HA 0.159 4.803 4.640 0.006 0.000 0.328 245 D C -1.069 175.223 176.300 -0.013 0.000 1.317 245 D CA -0.598 53.404 54.000 0.003 0.000 0.973 245 D CB 1.332 42.143 40.800 0.020 0.000 1.424 245 D HN 0.170 nan 8.370 nan 0.000 0.569 246 L N 3.387 124.606 121.223 -0.007 0.000 2.597 246 L HA 0.246 4.590 4.340 0.006 0.000 0.271 246 L C -2.055 174.787 176.870 -0.048 0.000 1.157 246 L CA -0.204 54.621 54.840 -0.024 0.000 0.928 246 L CB 0.051 42.102 42.059 -0.014 0.000 1.216 246 L HN 0.141 nan 8.230 nan 0.000 0.481 247 P HA 0.233 nan 4.420 nan 0.000 0.280 247 P C -0.865 176.384 177.300 -0.085 0.000 1.272 247 P CA -0.704 62.359 63.100 -0.062 0.000 0.819 247 P CB 1.229 32.902 31.700 -0.045 0.000 1.122 248 I N 1.659 122.205 120.570 -0.039 0.000 2.337 248 I HA 0.130 4.304 4.170 0.006 0.000 0.291 248 I C 0.461 176.617 176.117 0.065 0.000 1.046 248 I CA -0.489 60.804 61.300 -0.011 0.000 1.324 248 I CB 0.478 38.566 38.000 0.148 0.000 1.409 248 I HN 0.121 nan 8.210 nan 0.000 0.494 249 V N 6.905 126.809 119.914 -0.016 0.000 2.459 249 V HA 0.648 4.772 4.120 0.006 0.000 0.295 249 V C -2.481 173.579 176.094 -0.055 0.000 1.029 249 V CA -2.115 60.185 62.300 0.001 0.000 0.874 249 V CB 1.592 33.388 31.823 -0.046 0.000 0.985 249 V HN 0.501 nan 8.190 nan 0.000 0.438 250 P HA 0.164 nan 4.420 nan 0.000 0.275 250 P C -0.591 176.543 177.300 -0.276 0.000 1.228 250 P CA -0.203 62.667 63.100 -0.383 0.000 0.786 250 P CB 0.934 32.361 31.700 -0.456 0.000 0.927 251 N N 1.961 120.463 118.700 -0.331 0.000 2.520 251 N HA 0.019 4.763 4.740 0.006 0.000 0.273 251 N C 0.046 175.378 175.510 -0.297 0.000 1.155 251 N CA 0.304 53.188 53.050 -0.276 0.000 0.967 251 N CB 0.159 38.446 38.487 -0.333 0.000 1.092 251 N HN 0.355 nan 8.380 nan 0.000 0.457 252 E N 1.935 121.993 120.200 -0.237 0.000 3.029 252 E HA 0.113 4.467 4.350 0.006 0.000 0.196 252 E C 0.193 176.669 176.600 -0.207 0.000 0.973 252 E CA -0.115 56.157 56.400 -0.213 0.000 1.242 252 E CB 0.544 30.168 29.700 -0.125 0.000 1.056 252 E HN 0.556 nan 8.360 nan 0.000 0.469 253 K N 0.697 120.944 120.400 -0.254 0.000 2.296 253 K HA 0.062 4.386 4.320 0.006 0.000 0.200 253 K C 0.612 177.071 176.600 -0.235 0.000 1.048 253 K CA 0.654 56.823 56.287 -0.196 0.000 0.966 253 K CB 0.330 32.737 32.500 -0.155 0.000 0.754 253 K HN -0.122 nan 8.250 nan 0.000 0.466 254 K N 0.589 120.718 120.400 -0.450 0.000 2.208 254 K HA 0.128 4.451 4.320 0.006 0.000 0.247 254 K C 0.767 177.018 176.600 -0.582 0.000 0.953 254 K CA -0.543 55.393 56.287 -0.585 0.000 0.837 254 K CB 1.084 32.854 32.500 -1.216 0.000 1.131 254 K HN -0.057 nan 8.250 nan 0.000 0.431 255 F N 0.746 120.513 119.950 -0.305 0.000 2.269 255 F HA -0.151 4.377 4.527 0.001 0.000 0.301 255 F C 1.303 177.062 175.800 -0.068 0.000 1.082 255 F CA 0.808 58.727 58.000 -0.136 0.000 1.360 255 F CB -0.661 38.336 39.000 -0.004 0.000 1.041 255 F HN 0.445 nan 8.300 nan 0.000 0.512 256 F N -0.339 119.066 119.950 -0.909 0.000 2.797 256 F HA 0.391 4.930 4.527 0.019 0.000 0.302 256 F C 0.541 176.332 175.800 -0.014 0.000 1.130 256 F CA -1.079 56.702 58.000 -0.365 0.000 1.387 256 F CB -1.214 37.575 39.000 -0.352 0.000 1.107 256 F HN -0.106 nan 8.300 nan 0.000 0.577 257 M N 1.861 121.225 119.600 -0.393 0.000 2.216 257 M HA 0.166 4.650 4.480 0.006 0.000 0.356 257 M C 0.141 176.401 176.300 -0.067 0.000 1.205 257 M CA -0.173 55.003 55.300 -0.207 0.000 1.122 257 M CB 1.259 33.586 32.600 -0.454 0.000 1.571 257 M HN 0.168 nan 8.290 nan 0.000 0.464 258 Q N 1.915 121.732 119.800 0.028 0.000 2.293 258 Q HA 0.200 4.544 4.340 0.006 0.000 0.263 258 Q C -0.965 175.064 176.000 0.048 0.000 1.002 258 Q CA -0.096 55.760 55.803 0.088 0.000 0.910 258 Q CB 0.864 29.731 28.738 0.215 0.000 1.185 258 Q HN 0.673 nan 8.270 nan 0.000 0.401 259 S N 2.666 118.422 115.700 0.094 0.000 2.562 259 S HA 0.561 5.035 4.470 0.006 0.000 0.275 259 S C -0.368 174.290 174.600 0.097 0.000 1.281 259 S CA -0.303 57.939 58.200 0.069 0.000 1.045 259 S CB 1.643 64.899 63.200 0.094 0.000 0.962 259 S HN 0.769 nan 8.310 nan 0.000 0.503 260 T N 1.343 115.945 114.554 0.080 0.000 2.686 260 T HA 0.221 4.575 4.350 0.006 0.000 0.308 260 T C -2.029 172.724 174.700 0.089 0.000 1.667 260 T CA -0.795 61.368 62.100 0.106 0.000 0.987 260 T CB 0.747 69.752 68.868 0.227 0.000 1.652 260 T HN 0.446 nan 8.240 nan 0.000 0.496 261 D N 1.403 121.853 120.400 0.083 0.000 2.344 261 D HA 0.520 5.164 4.640 0.006 0.000 0.244 261 D C 0.461 176.815 176.300 0.091 0.000 1.134 261 D CA 0.056 54.094 54.000 0.064 0.000 0.930 261 D CB 1.134 41.961 40.800 0.046 0.000 1.175 261 D HN 0.832 nan 8.370 nan 0.000 0.437 262 A N 1.399 124.250 122.820 0.053 0.000 2.498 262 A HA 0.241 4.565 4.320 0.006 0.000 0.239 262 A C 0.269 177.875 177.584 0.037 0.000 1.068 262 A CA 0.084 52.149 52.037 0.047 0.000 0.766 262 A CB -0.107 18.897 19.000 0.007 0.000 1.003 262 A HN 0.489 nan 8.150 nan 0.000 0.497 263 I N 2.939 123.533 120.570 0.040 0.000 2.354 263 I HA 0.163 4.337 4.170 0.006 0.000 0.286 263 I C -0.001 176.066 176.117 -0.083 0.000 1.007 263 I CA -0.526 60.748 61.300 -0.044 0.000 1.167 263 I CB 1.295 39.251 38.000 -0.074 0.000 1.320 263 I HN 0.608 nan 8.210 nan 0.000 0.458 264 Q N 3.499 123.234 119.800 -0.109 0.000 2.394 264 Q HA 0.240 4.583 4.340 0.006 0.000 0.248 264 Q C 1.127 177.019 176.000 -0.180 0.000 0.992 264 Q CA -0.033 55.698 55.803 -0.120 0.000 0.888 264 Q CB 1.432 30.107 28.738 -0.105 0.000 1.257 264 Q HN 0.843 nan 8.270 nan 0.000 0.462 265 A N 2.179 124.865 122.820 -0.223 0.000 1.940 265 A HA -0.226 4.097 4.320 0.006 0.000 0.219 265 A C 1.781 179.006 177.584 -0.599 0.000 1.176 265 A CA 1.758 53.542 52.037 -0.421 0.000 0.631 265 A CB -0.269 18.440 19.000 -0.484 0.000 0.814 265 A HN 0.815 nan 8.150 nan 0.000 0.446 266 E N 0.413 120.393 120.200 -0.367 0.000 2.118 266 E HA -0.242 4.111 4.350 0.006 0.000 0.195 266 E C 1.811 178.419 176.600 0.013 0.000 0.992 266 E CA 1.759 58.055 56.400 -0.173 0.000 0.804 266 E CB -0.233 29.450 29.700 -0.029 0.000 0.741 266 E HN 0.783 nan 8.360 nan 0.000 0.458 267 E N 0.243 120.432 120.200 -0.019 0.000 2.077 267 E HA -0.145 4.209 4.350 0.006 0.000 0.193 267 E C 2.383 178.988 176.600 0.009 0.000 0.989 267 E CA 1.077 57.508 56.400 0.052 0.000 0.800 267 E CB -0.107 29.520 29.700 -0.123 0.000 0.746 267 E HN 0.307 nan 8.360 nan 0.000 0.452 268 L N 0.057 121.221 121.223 -0.099 0.000 2.217 268 L HA -0.136 4.207 4.340 0.006 0.000 0.211 268 L C 2.285 179.328 176.870 0.287 0.000 1.107 268 L CA 0.627 55.484 54.840 0.027 0.000 0.783 268 L CB -0.385 41.671 42.059 -0.005 0.000 0.919 268 L HN 0.169 nan 8.230 nan 0.000 0.442 269 Y N 0.562 120.941 120.300 0.131 0.000 2.200 269 Y HA -0.169 4.385 4.550 0.006 0.000 0.290 269 Y C 2.917 178.890 175.900 0.121 0.000 1.137 269 Y CA 0.977 59.167 58.100 0.149 0.000 1.163 269 Y CB -1.425 37.054 38.460 0.032 0.000 0.988 269 Y HN 0.142 nan 8.280 nan 0.000 0.518 270 T N 0.426 115.137 114.554 0.261 0.000 2.759 270 T HA -0.230 4.124 4.350 0.006 0.000 0.269 270 T C 1.756 176.500 174.700 0.074 0.000 1.042 270 T CA 1.559 63.677 62.100 0.030 0.000 1.140 270 T CB -0.683 68.014 68.868 -0.285 0.000 0.864 270 T HN 0.291 nan 8.240 nan 0.000 0.455 271 F N 1.342 121.369 119.950 0.128 0.000 2.163 271 F HA 0.285 4.816 4.527 0.007 0.000 0.297 271 F C 1.573 177.444 175.800 0.118 0.000 1.094 271 F CA 1.107 59.206 58.000 0.166 0.000 1.290 271 F CB -0.503 38.602 39.000 0.174 0.000 1.017 271 F HN 0.392 nan 8.300 nan 0.000 0.483 272 G N -0.204 108.751 108.800 0.259 0.000 2.632 272 G HA2 0.252 4.215 3.960 0.006 0.000 0.224 272 G HA3 0.252 4.215 3.960 0.006 0.000 0.224 272 G C 0.604 175.660 174.900 0.260 0.000 1.341 272 G CA -0.117 45.090 45.100 0.178 0.000 0.880 272 G HN 1.551 nan 8.290 nan 0.000 0.566 273 G N -1.320 107.569 108.800 0.147 0.000 2.527 273 G HA2 -0.003 3.961 3.960 0.006 0.000 0.268 273 G HA3 -0.003 3.961 3.960 0.006 0.000 0.268 273 G C 1.248 176.259 174.900 0.185 0.000 1.175 273 G CA 2.068 47.269 45.100 0.168 0.000 0.962 273 G HN 2.342 nan 8.290 nan 0.000 0.560 274 Q N -0.420 119.494 119.800 0.189 0.000 2.172 274 Q HA 0.055 4.399 4.340 0.006 0.000 0.200 274 Q C 1.806 177.918 176.000 0.187 0.000 0.964 274 Q CA 1.862 57.759 55.803 0.156 0.000 0.855 274 Q CB -0.215 28.586 28.738 0.106 0.000 0.918 274 Q HN 0.562 nan 8.270 nan 0.000 0.444 275 D N 2.152 122.696 120.400 0.241 0.000 2.170 275 D HA -0.173 4.471 4.640 0.006 0.000 0.193 275 D C -0.683 175.780 176.300 0.271 0.000 1.004 275 D CA 1.664 55.822 54.000 0.264 0.000 0.860 275 D CB -1.629 39.349 40.800 0.297 0.000 0.931 275 D HN 0.354 nan 8.370 nan 0.000 0.448 276 P HA -0.046 nan 4.420 nan 0.000 0.218 276 P C 1.223 178.699 177.300 0.293 0.000 1.148 276 P CA 1.266 64.591 63.100 0.375 0.000 0.822 276 P CB 0.021 31.912 31.700 0.318 0.000 0.784 277 S N -1.043 114.793 115.700 0.226 0.000 2.474 277 S HA -0.036 4.437 4.470 0.006 0.000 0.235 277 S C 1.627 176.354 174.600 0.211 0.000 0.997 277 S CA 0.730 59.060 58.200 0.216 0.000 0.949 277 S CB -0.917 62.404 63.200 0.202 0.000 0.766 277 S HN 0.208 nan 8.310 nan 0.000 0.517 278 I N 1.005 121.696 120.570 0.201 0.000 3.291 278 I HA 0.033 4.206 4.170 0.006 0.000 0.279 278 I C -0.243 176.012 176.117 0.230 0.000 1.294 278 I CA 0.470 61.884 61.300 0.189 0.000 1.428 278 I CB 0.081 38.166 38.000 0.141 0.000 1.070 278 I HN 0.167 nan 8.210 nan 0.000 0.478 279 I N 1.974 122.688 120.570 0.239 0.000 2.328 279 I HA 0.096 4.269 4.170 0.006 0.000 0.287 279 I C 0.945 177.214 176.117 0.255 0.000 1.012 279 I CA -0.302 61.139 61.300 0.235 0.000 1.195 279 I CB 0.837 38.985 38.000 0.247 0.000 1.350 279 I HN 0.067 nan 8.210 nan 0.000 0.464 280 T N 4.638 119.334 114.554 0.237 0.000 2.906 280 T HA 0.131 4.485 4.350 0.006 0.000 0.320 280 T C -1.753 173.067 174.700 0.200 0.000 1.088 280 T CA -0.834 61.391 62.100 0.208 0.000 1.120 280 T CB 0.613 69.593 68.868 0.187 0.000 1.000 280 T HN 0.326 nan 8.240 nan 0.000 0.550 281 P HA -0.062 nan 4.420 nan 0.000 0.219 281 P C 1.698 179.070 177.300 0.119 0.000 1.146 281 P CA 0.907 64.108 63.100 0.167 0.000 0.808 281 P CB -0.032 31.776 31.700 0.180 0.000 0.779 282 S N -1.053 114.710 115.700 0.104 0.000 2.344 282 S HA -0.135 4.338 4.470 0.006 0.000 0.217 282 S C 1.960 176.622 174.600 0.103 0.000 1.033 282 S CA 1.907 60.152 58.200 0.076 0.000 1.017 282 S CB -1.484 61.756 63.200 0.067 0.000 0.941 282 S HN 0.219 nan 8.310 nan 0.000 0.430 283 T N 2.202 116.833 114.554 0.128 0.000 2.881 283 T HA -0.100 4.254 4.350 0.006 0.000 0.270 283 T C 1.318 176.134 174.700 0.194 0.000 1.068 283 T CA 1.184 63.365 62.100 0.135 0.000 1.131 283 T CB -0.506 68.434 68.868 0.120 0.000 0.871 283 T HN 0.251 nan 8.240 nan 0.000 0.479 284 D N 1.263 121.809 120.400 0.243 0.000 2.123 284 D HA -0.058 4.586 4.640 0.006 0.000 0.196 284 D C 2.173 178.651 176.300 0.297 0.000 0.992 284 D CA 1.125 55.337 54.000 0.354 0.000 0.833 284 D CB -0.086 40.905 40.800 0.317 0.000 0.954 284 D HN 0.408 nan 8.370 nan 0.000 0.455 285 K N 0.279 120.783 120.400 0.173 0.000 2.155 285 K HA -0.027 4.296 4.320 0.006 0.000 0.203 285 K C 2.213 178.908 176.600 0.159 0.000 1.052 285 K CA 0.693 57.051 56.287 0.118 0.000 0.948 285 K CB -0.101 32.414 32.500 0.024 0.000 0.728 285 K HN -0.076 nan 8.250 nan 0.000 0.448 286 S N 1.399 117.181 115.700 0.136 0.000 2.353 286 S HA -0.141 4.332 4.470 0.006 0.000 0.222 286 S C 1.981 176.662 174.600 0.135 0.000 1.035 286 S CA 1.098 59.365 58.200 0.111 0.000 1.025 286 S CB -0.221 63.033 63.200 0.089 0.000 0.902 286 S HN 0.186 nan 8.310 nan 0.000 0.440 287 I N 0.121 120.801 120.570 0.183 0.000 2.127 287 I HA -0.183 3.991 4.170 0.006 0.000 0.241 287 I C 2.252 178.498 176.117 0.215 0.000 1.075 287 I CA 1.900 63.325 61.300 0.209 0.000 1.334 287 I CB -0.595 37.580 38.000 0.291 0.000 1.040 287 I HN 0.418 nan 8.210 nan 0.000 0.405 288 Y N 2.092 122.437 120.300 0.075 0.000 2.069 288 Y HA -0.402 4.152 4.550 0.006 0.000 0.278 288 Y C 2.308 178.137 175.900 -0.119 0.000 1.175 288 Y CA 2.211 60.188 58.100 -0.205 0.000 1.134 288 Y CB -0.375 37.957 38.460 -0.213 0.000 0.965 288 Y HN 0.236 nan 8.280 nan 0.000 0.498 289 D N 0.029 120.514 120.400 0.141 0.000 2.104 289 D HA -0.181 4.462 4.640 0.006 0.000 0.194 289 D C 2.090 178.354 176.300 -0.060 0.000 0.994 289 D CA 1.649 55.663 54.000 0.022 0.000 0.830 289 D CB -0.316 40.524 40.800 0.066 0.000 0.959 289 D HN 0.413 nan 8.370 nan 0.000 0.452 290 K N 0.359 120.757 120.400 -0.004 0.000 2.044 290 K HA -0.112 4.211 4.320 0.006 0.000 0.210 290 K C 2.205 178.784 176.600 -0.035 0.000 1.049 290 K CA 0.800 57.087 56.287 -0.000 0.000 0.927 290 K CB -0.168 32.359 32.500 0.045 0.000 0.713 290 K HN 0.003 nan 8.250 nan 0.000 0.443 291 V N 1.526 121.407 119.914 -0.055 0.000 2.343 291 V HA -0.233 3.890 4.120 0.006 0.000 0.247 291 V C 2.169 178.099 176.094 -0.274 0.000 1.051 291 V CA 1.371 63.607 62.300 -0.106 0.000 1.036 291 V CB -0.421 31.369 31.823 -0.055 0.000 0.654 291 V HN 0.280 nan 8.190 nan 0.000 0.451 292 L N 0.383 121.371 121.223 -0.392 0.000 2.046 292 L HA -0.184 4.160 4.340 0.006 0.000 0.208 292 L C 2.402 179.069 176.870 -0.338 0.000 1.077 292 L CA 2.177 56.613 54.840 -0.673 0.000 0.747 292 L CB -1.044 40.517 42.059 -0.830 0.000 0.896 292 L HN 0.372 nan 8.230 nan 0.000 0.432 293 Q N -0.382 119.294 119.800 -0.206 0.000 2.226 293 Q HA -0.172 4.171 4.340 0.006 0.000 0.204 293 Q C 1.945 177.900 176.000 -0.075 0.000 0.975 293 Q CA 1.612 57.342 55.803 -0.121 0.000 0.866 293 Q CB -0.327 28.365 28.738 -0.076 0.000 0.915 293 Q HN 0.581 nan 8.270 nan 0.000 0.440 294 N N -0.888 117.794 118.700 -0.029 0.000 2.171 294 N HA -0.078 4.665 4.740 0.006 0.000 0.184 294 N C 1.137 176.692 175.510 0.076 0.000 1.021 294 N CA 0.887 53.950 53.050 0.022 0.000 0.854 294 N CB -0.237 38.319 38.487 0.115 0.000 0.994 294 N HN 0.248 nan 8.380 nan 0.000 0.426 295 F N 1.877 121.743 119.950 -0.140 0.000 2.293 295 F HA 0.068 4.599 4.527 0.007 0.000 0.300 295 F C 2.312 177.993 175.800 -0.199 0.000 1.086 295 F CA 0.465 58.407 58.000 -0.096 0.000 1.375 295 F CB -0.408 38.685 39.000 0.156 0.000 1.045 295 F HN -0.030 nan 8.300 nan 0.000 0.516 296 R N -0.395 120.076 120.500 -0.048 0.000 2.092 296 R HA -0.081 4.262 4.340 0.006 0.000 0.231 296 R C 2.548 178.724 176.300 -0.207 0.000 1.119 296 R CA 1.163 57.163 56.100 -0.167 0.000 0.970 296 R CB -1.001 29.208 30.300 -0.151 0.000 0.864 296 R HN 0.348 nan 8.270 nan 0.000 0.440 297 G N 1.144 109.825 108.800 -0.198 0.000 2.408 297 G HA2 -0.170 3.794 3.960 0.006 0.000 0.217 297 G HA3 -0.170 3.794 3.960 0.006 0.000 0.217 297 G C 1.366 176.064 174.900 -0.336 0.000 1.150 297 G CA 0.256 45.220 45.100 -0.227 0.000 0.776 297 G HN 0.059 nan 8.290 nan 0.000 0.542 298 I N 0.735 121.030 120.570 -0.458 0.000 2.252 298 I HA -0.062 4.111 4.170 0.006 0.000 0.245 298 I C 2.824 178.699 176.117 -0.403 0.000 1.102 298 I CA 0.686 61.621 61.300 -0.609 0.000 1.385 298 I CB -1.052 36.426 38.000 -0.870 0.000 1.064 298 I HN 0.103 nan 8.210 nan 0.000 0.414 299 V N 1.204 120.827 119.914 -0.485 0.000 2.626 299 V HA -0.269 3.854 4.120 0.006 0.000 0.252 299 V C 2.097 177.988 176.094 -0.338 0.000 1.067 299 V CA 2.289 64.161 62.300 -0.713 0.000 1.081 299 V CB -0.364 30.704 31.823 -1.259 0.000 0.686 299 V HN 0.364 nan 8.190 nan 0.000 0.468 300 D N -0.412 119.832 120.400 -0.259 0.000 2.149 300 D HA -0.132 4.512 4.640 0.006 0.000 0.201 300 D C 2.340 178.579 176.300 -0.101 0.000 0.972 300 D CA 1.225 55.135 54.000 -0.151 0.000 0.835 300 D CB -0.084 40.635 40.800 -0.135 0.000 0.966 300 D HN 0.395 nan 8.370 nan 0.000 0.476 301 R N -0.196 120.225 120.500 -0.131 0.000 2.073 301 R HA -0.044 4.300 4.340 0.006 0.000 0.234 301 R C 2.498 178.799 176.300 0.001 0.000 1.134 301 R CA 0.944 57.003 56.100 -0.067 0.000 0.952 301 R CB -0.449 29.784 30.300 -0.112 0.000 0.850 301 R HN 0.274 nan 8.270 nan 0.000 0.433 302 L N 1.037 122.270 121.223 0.018 0.000 2.189 302 L HA -0.218 4.126 4.340 0.006 0.000 0.214 302 L C 1.664 178.625 176.870 0.152 0.000 1.097 302 L CA 1.001 55.885 54.840 0.073 0.000 0.764 302 L CB -0.433 41.569 42.059 -0.094 0.000 0.900 302 L HN 0.288 nan 8.230 nan 0.000 0.436 303 N N -0.124 118.653 118.700 0.128 0.000 2.463 303 N HA -0.053 4.690 4.740 0.006 0.000 0.181 303 N C 1.252 176.798 175.510 0.060 0.000 1.078 303 N CA 0.790 53.927 53.050 0.146 0.000 0.902 303 N CB 0.315 38.855 38.487 0.087 0.000 0.970 303 N HN 0.430 nan 8.380 nan 0.000 0.451 304 K N -0.029 120.382 120.400 0.018 0.000 2.402 304 K HA 0.163 4.487 4.320 0.006 0.000 0.203 304 K C 0.174 176.747 176.600 -0.046 0.000 1.077 304 K CA -0.112 56.168 56.287 -0.012 0.000 1.051 304 K CB 1.492 33.979 32.500 -0.022 0.000 0.907 304 K HN -0.146 nan 8.250 nan 0.000 0.554 305 V N 2.216 122.084 119.914 -0.078 0.000 2.585 305 V HA 0.028 4.151 4.120 0.006 0.000 0.296 305 V C 0.596 176.599 176.094 -0.150 0.000 1.035 305 V CA 0.522 62.692 62.300 -0.216 0.000 1.084 305 V CB 0.459 32.011 31.823 -0.452 0.000 0.953 305 V HN 0.239 nan 8.190 nan 0.000 0.483 306 L N 6.481 127.614 121.223 -0.151 0.000 2.806 306 L HA 0.383 4.727 4.340 0.006 0.000 0.242 306 L C 0.075 176.912 176.870 -0.055 0.000 1.068 306 L CA 0.569 55.367 54.840 -0.071 0.000 0.923 306 L CB 0.964 42.999 42.059 -0.040 0.000 1.364 306 L HN 0.659 nan 8.230 nan 0.000 0.511 307 V N -4.412 115.453 119.914 -0.080 0.000 3.253 307 V HA 0.496 4.619 4.120 0.006 0.000 0.300 307 V C -1.673 174.437 176.094 0.026 0.000 1.398 307 V CA -1.337 60.957 62.300 -0.010 0.000 1.067 307 V CB 2.208 34.036 31.823 0.007 0.000 1.102 307 V HN 0.006 nan 8.190 nan 0.000 0.455 308 C N 3.443 122.797 119.300 0.091 0.000 2.455 308 C HA 0.645 5.109 4.460 0.006 0.000 0.321 308 C C 1.527 176.560 174.990 0.070 0.000 1.102 308 C CA -0.226 58.872 59.018 0.133 0.000 1.413 308 C CB -0.337 27.502 27.740 0.165 0.000 1.952 308 C HN 1.031 nan 8.230 nan 0.000 0.428 309 I N 4.204 124.806 120.570 0.052 0.000 2.353 309 I HA -0.007 4.167 4.170 0.006 0.000 0.248 309 I C 2.069 178.198 176.117 0.020 0.000 1.119 309 I CA 2.226 63.543 61.300 0.029 0.000 1.417 309 I CB -1.742 36.269 38.000 0.018 0.000 1.078 309 I HN 0.705 nan 8.210 nan 0.000 0.421 310 S N 0.732 116.445 115.700 0.022 0.000 2.399 310 S HA -0.183 4.291 4.470 0.006 0.000 0.231 310 S C 0.719 175.318 174.600 -0.002 0.000 1.022 310 S CA 1.119 59.320 58.200 0.001 0.000 0.983 310 S CB -0.558 62.641 63.200 -0.001 0.000 0.803 310 S HN 0.653 nan 8.310 nan 0.000 0.480 311 D N 0.778 121.188 120.400 0.017 0.000 2.479 311 D HA 0.459 5.103 4.640 0.006 0.000 0.246 311 D C -2.545 173.775 176.300 0.034 0.000 1.336 311 D CA -2.141 51.870 54.000 0.018 0.000 0.967 311 D CB 1.841 42.655 40.800 0.024 0.000 1.275 311 D HN -0.156 nan 8.370 nan 0.000 0.577 312 P HA -0.046 nan 4.420 nan 0.000 0.222 312 P C 0.811 178.137 177.300 0.043 0.000 1.147 312 P CA 0.672 63.792 63.100 0.034 0.000 0.790 312 P CB 0.298 32.012 31.700 0.023 0.000 0.780 313 N N -1.023 117.704 118.700 0.045 0.000 2.467 313 N HA -0.016 4.728 4.740 0.006 0.000 0.184 313 N C 0.323 175.882 175.510 0.081 0.000 1.106 313 N CA 0.121 53.206 53.050 0.057 0.000 0.892 313 N CB -0.296 38.222 38.487 0.051 0.000 0.969 313 N HN -0.104 nan 8.380 nan 0.000 0.454 314 I N 1.561 122.179 120.570 0.081 0.000 2.618 314 I HA -0.040 4.134 4.170 0.006 0.000 0.284 314 I C 0.412 176.602 176.117 0.121 0.000 1.146 314 I CA 0.102 61.455 61.300 0.089 0.000 1.425 314 I CB 0.138 38.125 38.000 -0.022 0.000 1.383 314 I HN 0.221 nan 8.210 nan 0.000 0.562 315 N N 7.550 126.359 118.700 0.181 0.000 2.462 315 N HA 0.090 4.834 4.740 0.006 0.000 0.242 315 N C 0.927 176.587 175.510 0.251 0.000 1.010 315 N CA -0.479 52.675 53.050 0.174 0.000 0.939 315 N CB 0.857 39.422 38.487 0.130 0.000 1.127 315 N HN 0.302 nan 8.380 nan 0.000 0.509 316 I N 2.991 123.700 120.570 0.231 0.000 2.118 316 I HA -0.319 3.855 4.170 0.006 0.000 0.241 316 I C 1.742 178.026 176.117 0.277 0.000 1.070 316 I CA 1.110 62.592 61.300 0.302 0.000 1.327 316 I CB -1.143 36.972 38.000 0.191 0.000 1.034 316 I HN 0.549 nan 8.210 nan 0.000 0.405 317 N N 0.926 119.734 118.700 0.182 0.000 2.104 317 N HA -0.154 4.590 4.740 0.006 0.000 0.190 317 N C 1.923 177.498 175.510 0.108 0.000 1.024 317 N CA 1.156 54.295 53.050 0.149 0.000 0.853 317 N CB -0.222 38.328 38.487 0.104 0.000 1.008 317 N HN 0.277 nan 8.380 nan 0.000 0.424 318 I N 0.601 121.211 120.570 0.066 0.000 2.163 318 I HA -0.267 3.907 4.170 0.006 0.000 0.243 318 I C 1.958 177.955 176.117 -0.200 0.000 1.085 318 I CA 1.249 62.506 61.300 -0.071 0.000 1.347 318 I CB -1.164 36.766 38.000 -0.117 0.000 1.044 318 I HN 0.086 nan 8.210 nan 0.000 0.408 319 Y N 1.260 121.456 120.300 -0.173 0.000 2.200 319 Y HA -0.187 4.367 4.550 0.006 0.000 0.290 319 Y C 2.600 178.337 175.900 -0.272 0.000 1.137 319 Y CA 1.460 59.310 58.100 -0.417 0.000 1.163 319 Y CB -0.380 37.798 38.460 -0.470 0.000 0.988 319 Y HN 0.128 nan 8.280 nan 0.000 0.518 320 K N -0.136 120.391 120.400 0.211 0.000 2.147 320 K HA -0.161 4.162 4.320 0.006 0.000 0.205 320 K C 1.604 178.277 176.600 0.122 0.000 1.049 320 K CA 1.346 57.778 56.287 0.243 0.000 0.936 320 K CB -0.139 32.540 32.500 0.298 0.000 0.722 320 K HN 0.320 nan 8.250 nan 0.000 0.446 321 N N 1.060 119.802 118.700 0.070 0.000 2.171 321 N HA -0.135 4.609 4.740 0.006 0.000 0.184 321 N C 1.657 177.142 175.510 -0.042 0.000 1.021 321 N CA 1.042 54.125 53.050 0.055 0.000 0.854 321 N CB -0.111 38.389 38.487 0.022 0.000 0.994 321 N HN 0.017 nan 8.380 nan 0.000 0.426 322 K N 1.056 121.331 120.400 -0.209 0.000 2.002 322 K HA 0.051 4.375 4.320 0.006 0.000 0.209 322 K C 1.866 178.352 176.600 -0.191 0.000 1.048 322 K CA 1.206 57.304 56.287 -0.315 0.000 0.930 322 K CB -0.695 31.429 32.500 -0.626 0.000 0.714 322 K HN 0.155 nan 8.250 nan 0.000 0.438 323 F N 0.866 120.797 119.950 -0.031 0.000 2.216 323 F HA -0.144 4.387 4.527 0.006 0.000 0.300 323 F C 2.347 178.150 175.800 0.005 0.000 1.085 323 F CA 0.827 58.854 58.000 0.045 0.000 1.326 323 F CB -0.069 39.077 39.000 0.242 0.000 1.027 323 F HN 0.100 nan 8.300 nan 0.000 0.497 324 K N 0.504 120.997 120.400 0.156 0.000 2.026 324 K HA -0.234 4.089 4.320 0.006 0.000 0.208 324 K C 1.978 178.609 176.600 0.052 0.000 1.048 324 K CA 1.763 58.124 56.287 0.123 0.000 0.929 324 K CB -0.307 32.313 32.500 0.200 0.000 0.713 324 K HN 0.150 nan 8.250 nan 0.000 0.439 325 D N 0.933 121.350 120.400 0.029 0.000 2.117 325 D HA -0.180 4.464 4.640 0.006 0.000 0.198 325 D C 1.829 178.098 176.300 -0.050 0.000 0.982 325 D CA 1.045 55.049 54.000 0.006 0.000 0.828 325 D CB 0.122 40.918 40.800 -0.006 0.000 0.967 325 D HN 0.171 nan 8.370 nan 0.000 0.464 326 K N -0.376 119.949 120.400 -0.125 0.000 2.001 326 K HA -0.220 4.103 4.320 0.006 0.000 0.214 326 K C 1.924 178.321 176.600 -0.337 0.000 1.050 326 K CA 1.469 57.595 56.287 -0.268 0.000 0.934 326 K CB -0.346 31.869 32.500 -0.475 0.000 0.718 326 K HN 0.234 nan 8.250 nan 0.000 0.443 327 Y N 0.793 120.856 120.300 -0.396 0.000 2.529 327 Y HA 0.097 4.651 4.550 0.006 0.000 0.290 327 Y C 0.137 175.757 175.900 -0.466 0.000 1.177 327 Y CA -0.026 57.654 58.100 -0.700 0.000 1.305 327 Y CB 0.473 37.901 38.460 -1.721 0.000 1.047 327 Y HN 0.034 nan 8.280 nan 0.000 0.522 328 K N -0.112 120.222 120.400 -0.109 0.000 3.071 328 K HA -0.220 4.104 4.320 0.006 0.000 0.265 328 K C -0.617 176.128 176.600 0.241 0.000 1.060 328 K CA 0.584 56.922 56.287 0.086 0.000 0.767 328 K CB -2.397 30.197 32.500 0.156 0.000 1.241 328 K HN 0.419 nan 8.250 nan 0.000 0.486 329 F N -0.147 119.942 119.950 0.232 0.000 2.406 329 F HA 0.257 4.788 4.527 0.006 0.000 0.327 329 F C 1.609 177.546 175.800 0.228 0.000 1.153 329 F CA -1.149 56.983 58.000 0.221 0.000 1.218 329 F CB 0.787 39.897 39.000 0.184 0.000 1.215 329 F HN -0.101 nan 8.300 nan 0.000 0.570 330 V N -0.247 119.919 119.914 0.420 0.000 2.667 330 V HA 0.571 4.695 4.120 0.006 0.000 0.308 330 V C -0.822 175.429 176.094 0.261 0.000 1.048 330 V CA -0.790 61.681 62.300 0.286 0.000 0.928 330 V CB 1.583 33.524 31.823 0.196 0.000 1.004 330 V HN 0.855 nan 8.190 nan 0.000 0.444 331 E N 1.815 122.121 120.200 0.178 0.000 2.248 331 E HA 0.525 4.879 4.350 0.006 0.000 0.267 331 E C -1.272 175.318 176.600 -0.018 0.000 0.877 331 E CA -0.797 55.611 56.400 0.013 0.000 0.759 331 E CB 2.121 31.743 29.700 -0.129 0.000 1.182 331 E HN 0.845 nan 8.360 nan 0.000 0.418 332 D N 1.981 122.345 120.400 -0.059 0.000 2.433 332 D HA -0.015 4.629 4.640 0.006 0.000 0.255 332 D C 1.105 177.376 176.300 -0.048 0.000 1.226 332 D CA -0.131 53.849 54.000 -0.034 0.000 1.015 332 D CB 0.687 41.468 40.800 -0.031 0.000 1.091 332 D HN 0.444 nan 8.370 nan 0.000 0.527 333 S N -1.037 114.647 115.700 -0.026 0.000 2.465 333 S HA -0.217 4.257 4.470 0.006 0.000 0.241 333 S C 1.132 175.710 174.600 -0.037 0.000 1.000 333 S CA 0.989 59.175 58.200 -0.023 0.000 0.964 333 S CB -0.545 62.649 63.200 -0.010 0.000 0.763 333 S HN 0.528 nan 8.310 nan 0.000 0.512 334 E N 0.830 120.999 120.200 -0.053 0.000 2.340 334 E HA 0.373 4.727 4.350 0.006 0.000 0.194 334 E C 1.376 177.920 176.600 -0.093 0.000 0.996 334 E CA 0.540 56.906 56.400 -0.058 0.000 0.869 334 E CB -0.081 29.590 29.700 -0.049 0.000 0.835 334 E HN 0.619 nan 8.360 nan 0.000 0.493 335 G N 0.979 109.686 108.800 -0.156 0.000 2.154 335 G HA2 -0.243 3.721 3.960 0.006 0.000 0.186 335 G HA3 -0.243 3.721 3.960 0.006 0.000 0.186 335 G C 0.037 174.675 174.900 -0.437 0.000 1.000 335 G CA -0.190 44.739 45.100 -0.284 0.000 0.664 335 G HN 0.057 nan 8.290 nan 0.000 0.513 336 K N 1.054 121.282 120.400 -0.287 0.000 2.316 336 K HA 0.593 4.917 4.320 0.006 0.000 0.289 336 K C -0.149 176.311 176.600 -0.233 0.000 1.070 336 K CA -0.602 55.558 56.287 -0.212 0.000 0.928 336 K CB -0.153 32.289 32.500 -0.096 0.000 1.039 336 K HN 0.252 nan 8.250 nan 0.000 0.480 337 Y N 2.036 122.335 120.300 -0.002 0.000 2.304 337 Y HA 0.307 4.861 4.550 0.006 0.000 0.328 337 Y C 0.968 176.807 175.900 -0.102 0.000 1.123 337 Y CA 0.044 58.135 58.100 -0.015 0.000 1.218 337 Y CB 1.442 39.898 38.460 -0.006 0.000 1.207 337 Y HN 0.739 nan 8.280 nan 0.000 0.495 338 S N 2.106 117.848 115.700 0.070 0.000 2.705 338 S HA 0.701 5.174 4.470 0.006 0.000 0.280 338 S C -1.285 173.296 174.600 -0.033 0.000 1.174 338 S CA -1.015 57.159 58.200 -0.043 0.000 0.823 338 S CB 1.257 64.457 63.200 -0.000 0.000 1.162 338 S HN 0.510 nan 8.310 nan 0.000 0.487 339 I N 1.663 122.214 120.570 -0.032 0.000 2.336 339 I HA 0.344 4.517 4.170 0.006 0.000 0.292 339 I C -0.587 175.612 176.117 0.136 0.000 0.991 339 I CA -0.375 60.980 61.300 0.092 0.000 1.227 339 I CB 1.377 39.380 38.000 0.006 0.000 1.366 339 I HN 0.712 nan 8.210 nan 0.000 0.466 340 D N 6.345 126.884 120.400 0.231 0.000 2.412 340 D HA 0.136 4.780 4.640 0.006 0.000 0.224 340 D C 0.950 177.396 176.300 0.244 0.000 1.093 340 D CA -0.389 53.732 54.000 0.202 0.000 0.850 340 D CB 1.881 42.808 40.800 0.212 0.000 1.046 340 D HN 0.266 nan 8.370 nan 0.000 0.507 341 V N 4.492 124.521 119.914 0.192 0.000 2.324 341 V HA -0.291 3.832 4.120 0.006 0.000 0.250 341 V C 2.088 178.355 176.094 0.289 0.000 1.060 341 V CA 1.765 64.208 62.300 0.239 0.000 1.042 341 V CB -0.445 31.479 31.823 0.168 0.000 0.650 341 V HN 0.547 nan 8.190 nan 0.000 0.450 342 E N 0.923 121.253 120.200 0.216 0.000 2.058 342 E HA -0.190 4.164 4.350 0.006 0.000 0.194 342 E C 2.481 179.211 176.600 0.217 0.000 0.997 342 E CA 1.829 58.346 56.400 0.196 0.000 0.801 342 E CB -0.577 29.212 29.700 0.148 0.000 0.746 342 E HN 0.783 nan 8.360 nan 0.000 0.450 343 S N 0.112 115.950 115.700 0.230 0.000 2.368 343 S HA -0.188 4.286 4.470 0.006 0.000 0.224 343 S C 2.059 176.813 174.600 0.257 0.000 1.029 343 S CA 0.952 59.287 58.200 0.226 0.000 0.988 343 S CB -0.726 62.614 63.200 0.233 0.000 0.838 343 S HN 0.322 nan 8.310 nan 0.000 0.462 344 F N 2.986 123.062 119.950 0.210 0.000 2.069 344 F HA -0.109 4.422 4.527 0.006 0.000 0.298 344 F C 1.929 177.837 175.800 0.181 0.000 1.113 344 F CA 2.019 60.146 58.000 0.212 0.000 1.214 344 F CB -1.042 38.057 39.000 0.165 0.000 0.978 344 F HN 0.207 nan 8.300 nan 0.000 0.474 345 D N 0.132 120.636 120.400 0.173 0.000 2.106 345 D HA -0.270 4.374 4.640 0.006 0.000 0.191 345 D C 2.306 178.667 176.300 0.101 0.000 0.997 345 D CA 2.098 56.197 54.000 0.164 0.000 0.834 345 D CB -0.265 40.710 40.800 0.291 0.000 0.956 345 D HN 0.324 nan 8.370 nan 0.000 0.448 346 K N -0.388 120.090 120.400 0.130 0.000 2.057 346 K HA -0.159 4.165 4.320 0.006 0.000 0.207 346 K C 2.099 178.681 176.600 -0.030 0.000 1.049 346 K CA 0.785 57.160 56.287 0.147 0.000 0.931 346 K CB -0.231 32.380 32.500 0.184 0.000 0.714 346 K HN 0.107 nan 8.250 nan 0.000 0.440 347 L N 0.584 121.768 121.223 -0.065 0.000 2.017 347 L HA -0.176 4.168 4.340 0.006 0.000 0.208 347 L C 2.155 178.857 176.870 -0.279 0.000 1.073 347 L CA 1.686 56.439 54.840 -0.145 0.000 0.745 347 L CB -0.790 41.252 42.059 -0.028 0.000 0.894 347 L HN 0.266 nan 8.230 nan 0.000 0.432 348 Y N 0.495 120.501 120.300 -0.489 0.000 2.097 348 Y HA -0.303 4.251 4.550 0.006 0.000 0.282 348 Y C 2.435 178.065 175.900 -0.450 0.000 1.152 348 Y CA 2.264 60.037 58.100 -0.546 0.000 1.136 348 Y CB -0.151 37.865 38.460 -0.739 0.000 0.975 348 Y HN 0.169 nan 8.280 nan 0.000 0.498 349 K N -0.498 119.785 120.400 -0.195 0.000 2.097 349 K HA -0.132 4.192 4.320 0.006 0.000 0.206 349 K C 2.257 178.459 176.600 -0.664 0.000 1.049 349 K CA 1.468 57.643 56.287 -0.187 0.000 0.933 349 K CB -0.258 32.413 32.500 0.285 0.000 0.717 349 K HN 0.208 nan 8.250 nan 0.000 0.442 350 S N 1.514 116.620 115.700 -0.989 0.000 2.368 350 S HA -0.086 4.388 4.470 0.006 0.000 0.225 350 S C 1.916 176.142 174.600 -0.622 0.000 1.030 350 S CA 1.119 58.570 58.200 -1.247 0.000 0.999 350 S CB -0.175 62.504 63.200 -0.868 0.000 0.844 350 S HN 0.202 nan 8.310 nan 0.000 0.459 351 L N 0.150 121.083 121.223 -0.484 0.000 2.179 351 L HA 0.062 4.406 4.340 0.006 0.000 0.208 351 L C 2.285 178.970 176.870 -0.308 0.000 1.096 351 L CA 0.680 55.352 54.840 -0.281 0.000 0.779 351 L CB -0.304 41.542 42.059 -0.356 0.000 0.922 351 L HN 0.316 nan 8.230 nan 0.000 0.443 352 M N -1.616 117.515 119.600 -0.782 0.000 2.545 352 M HA 0.090 4.574 4.480 0.006 0.000 0.264 352 M C 1.598 177.350 176.300 -0.915 0.000 1.155 352 M CA 1.403 56.080 55.300 -1.038 0.000 1.162 352 M CB -0.281 31.176 32.600 -1.904 0.000 1.330 352 M HN 0.138 nan 8.290 nan 0.000 0.479 353 F N -1.539 118.224 119.950 -0.312 0.000 2.746 353 F HA 0.348 4.879 4.527 0.006 0.000 0.313 353 F C 2.116 177.847 175.800 -0.115 0.000 1.095 353 F CA -0.077 57.811 58.000 -0.187 0.000 1.224 353 F CB -0.282 38.633 39.000 -0.142 0.000 1.060 353 F HN 0.119 nan 8.300 nan 0.000 0.584 354 G N 0.473 109.184 108.800 -0.149 0.000 2.471 354 G HA2 -0.002 3.961 3.960 0.006 0.000 0.211 354 G HA3 -0.002 3.961 3.960 0.006 0.000 0.211 354 G C 0.163 174.894 174.900 -0.281 0.000 1.194 354 G CA 0.004 44.973 45.100 -0.218 0.000 0.816 354 G HN 0.141 nan 8.290 nan 0.000 0.545 355 F N 2.635 122.503 119.950 -0.137 0.000 2.423 355 F HA 0.442 4.972 4.527 0.006 0.000 0.356 355 F C 0.719 176.434 175.800 -0.141 0.000 1.170 355 F CA -0.349 57.567 58.000 -0.139 0.000 1.163 355 F CB 0.951 39.834 39.000 -0.195 0.000 1.318 355 F HN 0.046 nan 8.300 nan 0.000 0.569 356 T N -1.717 112.855 114.554 0.031 0.000 2.883 356 T HA 0.265 4.619 4.350 0.006 0.000 0.296 356 T C 0.696 175.335 174.700 -0.102 0.000 1.117 356 T CA -0.844 61.233 62.100 -0.038 0.000 1.006 356 T CB 1.928 70.787 68.868 -0.015 0.000 1.191 356 T HN 0.527 nan 8.240 nan 0.000 0.508 357 E N 0.506 120.600 120.200 -0.175 0.000 2.077 357 E HA -0.148 4.206 4.350 0.006 0.000 0.193 357 E C 1.658 178.069 176.600 -0.316 0.000 0.989 357 E CA 1.819 58.079 56.400 -0.233 0.000 0.800 357 E CB -0.334 29.200 29.700 -0.278 0.000 0.746 357 E HN 0.778 nan 8.360 nan 0.000 0.452 358 T N 1.287 115.594 114.554 -0.411 0.000 2.684 358 T HA -0.141 4.213 4.350 0.006 0.000 0.267 358 T C 1.602 176.218 174.700 -0.140 0.000 1.036 358 T CA 1.358 63.274 62.100 -0.307 0.000 1.148 358 T CB -0.310 68.412 68.868 -0.243 0.000 0.863 358 T HN 0.173 nan 8.240 nan 0.000 0.436 359 N N 1.041 119.689 118.700 -0.086 0.000 2.120 359 N HA 0.031 4.775 4.740 0.006 0.000 0.188 359 N C 1.936 177.447 175.510 0.003 0.000 1.024 359 N CA 0.921 53.954 53.050 -0.029 0.000 0.852 359 N CB -0.411 38.065 38.487 -0.019 0.000 1.003 359 N HN 0.387 nan 8.380 nan 0.000 0.424 360 I N 1.113 121.676 120.570 -0.012 0.000 2.202 360 I HA -0.225 3.949 4.170 0.006 0.000 0.242 360 I C 2.352 178.498 176.117 0.048 0.000 1.091 360 I CA 0.926 62.240 61.300 0.023 0.000 1.368 360 I CB -0.390 37.559 38.000 -0.085 0.000 1.058 360 I HN 0.048 nan 8.210 nan 0.000 0.410 361 A N 0.298 123.093 122.820 -0.042 0.000 1.892 361 A HA -0.282 4.042 4.320 0.006 0.000 0.218 361 A C 2.320 179.936 177.584 0.053 0.000 1.188 361 A CA 1.945 53.966 52.037 -0.026 0.000 0.631 361 A CB -0.613 18.309 19.000 -0.131 0.000 0.822 361 A HN 0.398 nan 8.150 nan 0.000 0.447 362 E N 0.076 120.294 120.200 0.031 0.000 2.110 362 E HA -0.204 4.150 4.350 0.006 0.000 0.193 362 E C 1.846 178.505 176.600 0.099 0.000 0.988 362 E CA 1.524 57.962 56.400 0.062 0.000 0.804 362 E CB -0.367 29.350 29.700 0.029 0.000 0.745 362 E HN 0.667 nan 8.360 nan 0.000 0.458 363 N N -0.854 117.923 118.700 0.128 0.000 2.171 363 N HA -0.148 4.596 4.740 0.006 0.000 0.184 363 N C 1.146 176.725 175.510 0.115 0.000 1.021 363 N CA 0.942 54.066 53.050 0.123 0.000 0.854 363 N CB -0.168 38.421 38.487 0.170 0.000 0.994 363 N HN 0.084 nan 8.380 nan 0.000 0.426 364 Y N 0.893 121.207 120.300 0.023 0.000 2.471 364 Y HA 0.258 4.811 4.550 0.006 0.000 0.286 364 Y C 0.097 176.037 175.900 0.067 0.000 1.188 364 Y CA 0.068 58.187 58.100 0.032 0.000 1.286 364 Y CB -0.185 38.291 38.460 0.026 0.000 1.072 364 Y HN -0.056 nan 8.280 nan 0.000 0.517 365 K N 0.353 120.879 120.400 0.210 0.000 3.148 365 K HA -0.218 4.106 4.320 0.006 0.000 0.267 365 K C -0.629 176.200 176.600 0.382 0.000 0.996 365 K CA 0.496 56.942 56.287 0.265 0.000 0.737 365 K CB -2.023 30.566 32.500 0.149 0.000 1.308 365 K HN 0.333 nan 8.250 nan 0.000 0.470 366 I N 0.566 121.290 120.570 0.258 0.000 2.493 366 I HA 0.225 4.398 4.170 0.006 0.000 0.298 366 I C 0.369 176.394 176.117 -0.153 0.000 0.998 366 I CA -0.932 60.461 61.300 0.154 0.000 1.137 366 I CB 1.792 39.873 38.000 0.134 0.000 1.310 366 I HN 0.053 nan 8.210 nan 0.000 0.445 367 K N 3.298 123.472 120.400 -0.376 0.000 2.118 367 K HA 0.546 4.870 4.320 0.006 0.000 0.267 367 K C -0.618 175.832 176.600 -0.251 0.000 0.991 367 K CA -0.111 55.796 56.287 -0.634 0.000 0.916 367 K CB 1.547 33.506 32.500 -0.901 0.000 1.041 367 K HN 0.683 nan 8.250 nan 0.000 0.455 368 T N 1.055 115.315 114.554 -0.490 0.000 2.787 368 T HA 0.318 4.672 4.350 0.006 0.000 0.297 368 T C -1.329 172.675 174.700 -1.160 0.000 1.221 368 T CA -0.969 60.590 62.100 -0.902 0.000 1.006 368 T CB 0.766 69.357 68.868 -0.463 0.000 1.328 368 T HN 0.759 nan 8.240 nan 0.000 0.509 369 R N 1.521 121.277 120.500 -1.239 0.000 2.734 369 R HA 0.479 4.823 4.340 0.006 0.000 0.266 369 R C 1.176 177.399 176.300 -0.129 0.000 1.044 369 R CA 0.392 56.129 56.100 -0.606 0.000 1.128 369 R CB -0.026 30.048 30.300 -0.376 0.000 1.010 369 R HN 0.651 nan 8.270 nan 0.000 0.461 370 A N 1.557 124.332 122.820 -0.075 0.000 1.969 370 A HA -0.072 4.251 4.320 0.006 0.000 0.218 370 A C 1.035 178.665 177.584 0.078 0.000 1.169 370 A CA 1.546 53.593 52.037 0.016 0.000 0.635 370 A CB -0.082 18.915 19.000 -0.006 0.000 0.810 370 A HN 0.870 nan 8.150 nan 0.000 0.445 371 S N -4.388 111.223 115.700 -0.149 0.000 2.565 371 S HA 0.381 4.855 4.470 0.006 0.000 0.269 371 S C 0.211 174.318 174.600 -0.821 0.000 1.153 371 S CA -0.087 57.876 58.200 -0.395 0.000 0.835 371 S CB 0.238 63.341 63.200 -0.161 0.000 1.122 371 S HN 0.477 nan 8.310 nan 0.000 0.462 372 Y N 2.936 122.528 120.300 -1.179 0.000 2.256 372 Y HA 0.140 4.693 4.550 0.005 0.000 0.288 372 Y C 0.092 175.486 175.900 -0.844 0.000 1.155 372 Y CA 1.575 59.036 58.100 -1.065 0.000 1.203 372 Y CB -0.043 37.880 38.460 -0.895 0.000 0.980 372 Y HN 0.565 nan 8.280 nan 0.000 0.530 373 F N 1.859 121.531 119.950 -0.464 0.000 2.451 373 F HA 0.358 4.890 4.527 0.008 0.000 0.356 373 F C -0.174 175.313 175.800 -0.521 0.000 1.178 373 F CA -0.177 57.523 58.000 -0.500 0.000 1.210 373 F CB 0.161 38.895 39.000 -0.445 0.000 1.504 373 F HN -0.077 nan 8.300 nan 0.000 0.598 374 S N 0.366 115.860 115.700 -0.343 0.000 2.548 374 S HA 0.239 4.712 4.470 0.006 0.000 0.278 374 S C -1.373 173.194 174.600 -0.054 0.000 1.150 374 S CA -1.368 56.680 58.200 -0.252 0.000 0.907 374 S CB 1.213 64.247 63.200 -0.278 0.000 1.108 374 S HN 0.270 nan 8.310 nan 0.000 0.459 375 D N 2.986 123.482 120.400 0.160 0.000 2.752 375 D HA 0.072 4.716 4.640 0.006 0.000 0.225 375 D C 0.334 176.664 176.300 0.051 0.000 1.104 375 D CA 1.055 55.124 54.000 0.114 0.000 0.832 375 D CB 0.454 41.344 40.800 0.149 0.000 1.161 375 D HN 0.726 nan 8.370 nan 0.000 0.505 376 S N 2.620 118.328 115.700 0.012 0.000 2.422 376 S HA 0.454 4.928 4.470 0.006 0.000 0.298 376 S C 0.383 175.000 174.600 0.028 0.000 1.118 376 S CA -0.998 57.205 58.200 0.006 0.000 1.083 376 S CB 1.069 64.246 63.200 -0.038 0.000 0.971 376 S HN 0.292 nan 8.310 nan 0.000 0.478 377 L N 3.263 124.509 121.223 0.038 0.000 2.468 377 L HA 0.490 4.834 4.340 0.006 0.000 0.254 377 L C -1.796 175.085 176.870 0.019 0.000 1.171 377 L CA -2.417 52.438 54.840 0.026 0.000 0.809 377 L CB 0.206 42.272 42.059 0.012 0.000 1.155 377 L HN 0.450 nan 8.230 nan 0.000 0.473 378 P HA 0.153 nan 4.420 nan 0.000 0.271 378 P C -2.621 174.672 177.300 -0.011 0.000 1.216 378 P CA -1.175 61.933 63.100 0.014 0.000 0.776 378 P CB 0.113 31.825 31.700 0.019 0.000 0.881 379 P HA 0.096 nan 4.420 nan 0.000 0.274 379 P C -0.494 176.762 177.300 -0.073 0.000 1.256 379 P CA -0.089 62.992 63.100 -0.032 0.000 0.795 379 P CB 0.740 32.436 31.700 -0.007 0.000 1.038 380 V N -2.913 116.941 119.914 -0.101 0.000 3.040 380 V HA 0.587 4.711 4.120 0.006 0.000 0.312 380 V C -0.503 175.487 176.094 -0.174 0.000 1.115 380 V CA -1.233 60.987 62.300 -0.133 0.000 0.998 380 V CB 2.012 33.693 31.823 -0.236 0.000 1.042 380 V HN 0.506 nan 8.190 nan 0.000 0.433 381 K N 2.918 123.195 120.400 -0.206 0.000 2.211 381 K HA 0.512 4.835 4.320 0.006 0.000 0.275 381 K C -0.720 175.707 176.600 -0.287 0.000 1.024 381 K CA -0.800 55.236 56.287 -0.419 0.000 0.887 381 K CB 1.103 33.312 32.500 -0.486 0.000 1.084 381 K HN 0.716 nan 8.250 nan 0.000 0.463 382 I N 5.321 125.716 120.570 -0.291 0.000 2.471 382 I HA -0.018 4.156 4.170 0.006 0.000 0.286 382 I C 1.383 177.420 176.117 -0.132 0.000 1.079 382 I CA 0.365 61.569 61.300 -0.161 0.000 1.398 382 I CB 1.084 39.054 38.000 -0.049 0.000 1.403 382 I HN 0.799 nan 8.210 nan 0.000 0.530 383 K N 4.004 124.355 120.400 -0.082 0.000 1.991 383 K HA -0.159 4.165 4.320 0.006 0.000 0.212 383 K C 0.558 177.142 176.600 -0.026 0.000 1.049 383 K CA 1.519 57.771 56.287 -0.058 0.000 0.932 383 K CB 0.013 32.485 32.500 -0.046 0.000 0.717 383 K HN 0.491 nan 8.250 nan 0.000 0.441 384 N N -0.365 118.339 118.700 0.008 0.000 2.747 384 N HA 0.102 4.846 4.740 0.006 0.000 0.262 384 N C -0.122 175.400 175.510 0.019 0.000 1.261 384 N CA -0.056 53.001 53.050 0.011 0.000 0.809 384 N CB 0.633 39.133 38.487 0.022 0.000 1.450 384 N HN -0.063 nan 8.380 nan 0.000 0.560 385 L N 1.957 123.156 121.223 -0.041 0.000 2.275 385 L HA 0.026 4.370 4.340 0.006 0.000 0.215 385 L C 1.634 178.507 176.870 0.006 0.000 1.119 385 L CA 0.871 55.641 54.840 -0.116 0.000 0.790 385 L CB -0.046 41.837 42.059 -0.292 0.000 0.919 385 L HN 0.548 nan 8.230 nan 0.000 0.443 386 L N -0.613 120.620 121.223 0.016 0.000 2.552 386 L HA -0.024 4.319 4.340 0.006 0.000 0.227 386 L C 0.428 177.328 176.870 0.049 0.000 1.146 386 L CA 0.153 55.014 54.840 0.036 0.000 0.858 386 L CB -0.383 41.691 42.059 0.025 0.000 0.969 386 L HN 0.201 nan 8.230 nan 0.000 0.451 387 D N -0.110 120.325 120.400 0.058 0.000 2.373 387 D HA 0.041 4.685 4.640 0.006 0.000 0.227 387 D C 0.834 177.179 176.300 0.075 0.000 1.091 387 D CA -0.255 53.780 54.000 0.059 0.000 0.840 387 D CB 0.623 41.456 40.800 0.055 0.000 1.060 387 D HN -0.101 nan 8.370 nan 0.000 0.502 388 N N 2.827 121.561 118.700 0.057 0.000 2.635 388 N HA -0.160 4.583 4.740 0.006 0.000 0.191 388 N C 0.962 176.500 175.510 0.048 0.000 1.155 388 N CA 0.380 53.458 53.050 0.046 0.000 0.927 388 N CB 0.334 38.837 38.487 0.026 0.000 0.976 388 N HN 0.569 nan 8.380 nan 0.000 0.448 389 E N 0.564 120.801 120.200 0.062 0.000 2.318 389 E HA 0.046 4.400 4.350 0.006 0.000 0.193 389 E C 1.551 178.214 176.600 0.104 0.000 0.998 389 E CA 0.562 57.002 56.400 0.067 0.000 0.859 389 E CB 0.154 29.889 29.700 0.058 0.000 0.812 389 E HN 0.134 nan 8.360 nan 0.000 0.492 390 I N -0.807 119.844 120.570 0.135 0.000 3.039 390 I HA 0.116 4.290 4.170 0.006 0.000 0.270 390 I C -0.069 176.196 176.117 0.246 0.000 1.150 390 I CA 0.424 61.861 61.300 0.227 0.000 1.448 390 I CB -0.131 38.013 38.000 0.240 0.000 1.197 390 I HN 0.005 nan 8.210 nan 0.000 0.450 391 Y N 1.552 121.825 120.300 -0.045 0.000 2.386 391 Y HA 0.425 4.978 4.550 0.006 0.000 0.334 391 Y C -0.056 175.776 175.900 -0.113 0.000 1.002 391 Y CA -0.984 56.986 58.100 -0.215 0.000 1.068 391 Y CB 1.475 39.705 38.460 -0.384 0.000 1.203 391 Y HN 0.027 nan 8.280 nan 0.000 0.443 392 T N 2.705 116.996 114.554 -0.438 0.000 2.907 392 T HA 0.419 4.773 4.350 0.006 0.000 0.292 392 T C 0.955 175.457 174.700 -0.331 0.000 1.043 392 T CA -0.739 61.209 62.100 -0.252 0.000 1.003 392 T CB 1.359 70.142 68.868 -0.140 0.000 1.084 392 T HN 0.680 nan 8.240 nan 0.000 0.483 393 I N 0.655 121.146 120.570 -0.133 0.000 2.264 393 I HA -0.181 3.992 4.170 0.006 0.000 0.248 393 I C 2.321 178.389 176.117 -0.081 0.000 1.111 393 I CA 1.567 62.824 61.300 -0.072 0.000 1.382 393 I CB -0.163 37.830 38.000 -0.011 0.000 1.060 393 I HN 0.728 nan 8.210 nan 0.000 0.418 394 E N 0.470 120.616 120.200 -0.090 0.000 2.076 394 E HA -0.133 4.221 4.350 0.006 0.000 0.190 394 E C 1.563 178.111 176.600 -0.086 0.000 0.979 394 E CA 1.041 57.397 56.400 -0.074 0.000 0.807 394 E CB 0.048 29.711 29.700 -0.061 0.000 0.761 394 E HN 0.487 nan 8.360 nan 0.000 0.454 395 E N -0.941 119.182 120.200 -0.129 0.000 2.601 395 E HA 0.273 4.627 4.350 0.006 0.000 0.219 395 E C 0.795 177.290 176.600 -0.175 0.000 0.964 395 E CA 0.128 56.467 56.400 -0.102 0.000 1.050 395 E CB 1.181 30.846 29.700 -0.058 0.000 1.068 395 E HN 0.206 nan 8.360 nan 0.000 0.496 396 G N 1.733 110.249 108.800 -0.474 0.000 2.556 396 G HA2 -0.382 3.582 3.960 0.006 0.000 0.283 396 G HA3 -0.382 3.582 3.960 0.006 0.000 0.283 396 G C 0.480 175.052 174.900 -0.547 0.000 1.177 396 G CA 0.446 44.989 45.100 -0.929 0.000 0.978 396 G HN 0.239 nan 8.290 nan 0.000 0.554 397 F N 1.646 121.626 119.950 0.051 0.000 2.367 397 F HA 0.169 4.700 4.527 0.007 0.000 0.298 397 F C 1.881 177.754 175.800 0.122 0.000 1.094 397 F CA 0.805 58.930 58.000 0.208 0.000 1.409 397 F CB 0.024 39.240 39.000 0.359 0.000 1.064 397 F HN 0.137 nan 8.300 nan 0.000 0.528 398 N N 2.080 120.932 118.700 0.254 0.000 3.254 398 N HA 0.131 4.875 4.740 0.006 0.000 0.308 398 N C -0.411 175.150 175.510 0.085 0.000 1.281 398 N CA 0.288 53.438 53.050 0.167 0.000 1.212 398 N CB -0.385 38.203 38.487 0.168 0.000 1.478 398 N HN 0.229 nan 8.380 nan 0.000 0.548 399 I N 0.820 121.441 120.570 0.085 0.000 2.396 399 I HA -0.044 4.130 4.170 0.006 0.000 0.289 399 I C 1.723 177.863 176.117 0.037 0.000 1.056 399 I CA -0.241 61.084 61.300 0.042 0.000 1.365 399 I CB 0.847 38.875 38.000 0.047 0.000 1.407 399 I HN 0.226 nan 8.210 nan 0.000 0.509 400 S N 2.915 118.625 115.700 0.017 0.000 2.402 400 S HA -0.176 4.298 4.470 0.006 0.000 0.229 400 S C 1.288 175.897 174.600 0.014 0.000 1.021 400 S CA 0.908 59.114 58.200 0.011 0.000 0.974 400 S CB -0.158 63.041 63.200 -0.002 0.000 0.800 400 S HN 0.652 nan 8.310 nan 0.000 0.484 401 D N 2.014 122.423 120.400 0.015 0.000 2.221 401 D HA -0.038 4.606 4.640 0.006 0.000 0.204 401 D C 1.397 177.711 176.300 0.024 0.000 0.982 401 D CA 1.000 55.010 54.000 0.016 0.000 0.857 401 D CB -0.108 40.700 40.800 0.014 0.000 0.934 401 D HN 0.596 nan 8.370 nan 0.000 0.475 402 K N 0.454 120.875 120.400 0.035 0.000 2.397 402 K HA 0.018 4.342 4.320 0.006 0.000 0.202 402 K C -0.144 176.482 176.600 0.043 0.000 1.022 402 K CA -0.108 56.206 56.287 0.044 0.000 1.141 402 K CB 0.740 33.279 32.500 0.065 0.000 0.857 402 K HN -0.133 nan 8.250 nan 0.000 0.514 403 D N 0.898 121.317 120.400 0.032 0.000 2.723 403 D HA -0.190 4.453 4.640 0.006 0.000 0.236 403 D C -0.130 176.190 176.300 0.034 0.000 1.138 403 D CA 0.832 54.848 54.000 0.026 0.000 0.676 403 D CB -0.849 39.965 40.800 0.023 0.000 1.069 403 D HN 0.244 nan 8.370 nan 0.000 0.430 404 M N -0.456 119.172 119.600 0.047 0.000 2.685 404 M HA 0.127 4.611 4.480 0.006 0.000 0.355 404 M C 1.390 177.723 176.300 0.055 0.000 1.197 404 M CA -0.357 54.981 55.300 0.064 0.000 0.947 404 M CB 0.764 33.427 32.600 0.105 0.000 1.346 404 M HN 0.061 nan 8.290 nan 0.000 0.516 405 E N 1.670 121.880 120.200 0.017 0.000 2.075 405 E HA 0.068 4.422 4.350 0.006 0.000 0.190 405 E C 0.141 176.690 176.600 -0.085 0.000 0.969 405 E CA 0.678 57.069 56.400 -0.015 0.000 0.815 405 E CB 0.506 30.193 29.700 -0.021 0.000 0.776 405 E HN 0.385 nan 8.360 nan 0.000 0.457 406 K N 1.382 121.738 120.400 -0.073 0.000 2.436 406 K HA -0.034 4.290 4.320 0.006 0.000 0.275 406 K C -0.019 176.504 176.600 -0.127 0.000 0.999 406 K CA 0.405 56.627 56.287 -0.110 0.000 0.980 406 K CB 0.233 32.702 32.500 -0.052 0.000 0.919 406 K HN 0.086 nan 8.250 nan 0.000 0.484 407 E N 1.522 121.589 120.200 -0.221 0.000 2.494 407 E HA -0.284 4.070 4.350 0.006 0.000 0.249 407 E C -1.005 175.603 176.600 0.012 0.000 1.184 407 E CA 0.679 56.995 56.400 -0.141 0.000 0.727 407 E CB -1.810 27.913 29.700 0.038 0.000 1.281 407 E HN 0.654 nan 8.360 nan 0.000 0.405 408 Y N -2.818 117.540 120.300 0.096 0.000 3.396 408 Y HA -0.349 4.205 4.550 0.006 0.000 0.214 408 Y C 1.657 177.645 175.900 0.146 0.000 1.203 408 Y CA 1.061 59.231 58.100 0.118 0.000 1.401 408 Y CB -1.924 36.597 38.460 0.101 0.000 1.409 408 Y HN 0.240 nan 8.280 nan 0.000 0.594 409 R N 0.216 120.815 120.500 0.166 0.000 2.139 409 R HA -0.161 4.182 4.340 0.006 0.000 0.243 409 R C 2.469 178.821 176.300 0.087 0.000 1.145 409 R CA 1.373 57.540 56.100 0.111 0.000 0.976 409 R CB -0.567 29.776 30.300 0.071 0.000 0.866 409 R HN 0.647 nan 8.270 nan 0.000 0.449 410 G N -0.089 108.789 108.800 0.130 0.000 2.498 410 G HA2 -0.248 3.716 3.960 0.006 0.000 0.219 410 G HA3 -0.248 3.716 3.960 0.006 0.000 0.219 410 G C 1.103 176.002 174.900 -0.002 0.000 1.119 410 G CA 0.345 45.549 45.100 0.174 0.000 0.766 410 G HN 0.375 nan 8.290 nan 0.000 0.552 411 Q N -0.575 119.107 119.800 -0.197 0.000 2.319 411 Q HA 0.110 4.454 4.340 0.006 0.000 0.209 411 Q C 0.358 175.811 176.000 -0.911 0.000 0.884 411 Q CA -0.519 54.736 55.803 -0.913 0.000 0.938 411 Q CB 0.391 28.895 28.738 -0.391 0.000 1.098 411 Q HN 0.242 nan 8.270 nan 0.000 0.517 412 N N 1.648 120.074 118.700 -0.457 0.000 2.475 412 N HA -0.005 4.739 4.740 0.006 0.000 0.267 412 N C 0.354 175.682 175.510 -0.303 0.000 1.169 412 N CA 0.430 53.071 53.050 -0.683 0.000 0.947 412 N CB 0.882 39.084 38.487 -0.474 0.000 1.061 412 N HN 0.061 nan 8.380 nan 0.000 0.466 413 K N 2.326 122.534 120.400 -0.319 0.000 2.283 413 K HA -0.036 4.288 4.320 0.006 0.000 0.202 413 K C 1.181 177.855 176.600 0.123 0.000 1.048 413 K CA 0.993 57.281 56.287 0.002 0.000 0.948 413 K CB 0.182 32.574 32.500 -0.181 0.000 0.742 413 K HN 0.567 nan 8.250 nan 0.000 0.458 414 A N 0.269 123.074 122.820 -0.026 0.000 2.238 414 A HA 0.133 4.457 4.320 0.006 0.000 0.210 414 A C 1.668 179.271 177.584 0.032 0.000 1.179 414 A CA 0.399 52.447 52.037 0.019 0.000 0.827 414 A CB -0.026 18.964 19.000 -0.017 0.000 0.856 414 A HN 0.113 nan 8.150 nan 0.000 0.488 415 I N -1.690 118.899 120.570 0.033 0.000 3.366 415 I HA 0.083 4.257 4.170 0.006 0.000 0.267 415 I C 0.631 176.801 176.117 0.089 0.000 1.149 415 I CA 0.166 61.493 61.300 0.046 0.000 1.436 415 I CB 0.180 38.194 38.000 0.023 0.000 1.379 415 I HN 0.156 nan 8.210 nan 0.000 0.460 416 N N 1.935 120.730 118.700 0.158 0.000 3.324 416 N HA 0.104 4.848 4.740 0.006 0.000 0.302 416 N C 0.635 176.266 175.510 0.201 0.000 1.360 416 N CA 0.147 53.322 53.050 0.207 0.000 1.190 416 N CB 0.126 38.792 38.487 0.299 0.000 1.462 416 N HN 0.122 nan 8.380 nan 0.000 0.532 417 K N -0.263 120.151 120.400 0.025 0.000 2.365 417 K HA -0.076 4.247 4.320 0.006 0.000 0.199 417 K C 1.443 177.820 176.600 -0.371 0.000 1.045 417 K CA 0.680 56.789 56.287 -0.296 0.000 0.962 417 K CB 0.253 32.626 32.500 -0.213 0.000 0.759 417 K HN 0.476 nan 8.250 nan 0.000 0.469 418 Q N -0.009 119.706 119.800 -0.141 0.000 2.482 418 Q HA 0.035 4.379 4.340 0.006 0.000 0.209 418 Q C 1.355 177.310 176.000 -0.075 0.000 0.961 418 Q CA 0.972 56.714 55.803 -0.102 0.000 0.945 418 Q CB 0.140 28.868 28.738 -0.017 0.000 1.012 418 Q HN 0.218 nan 8.270 nan 0.000 0.515 419 A N 0.027 122.803 122.820 -0.073 0.000 2.169 419 A HA 0.284 4.608 4.320 0.006 0.000 0.210 419 A C 0.400 177.896 177.584 -0.148 0.000 1.168 419 A CA 0.171 52.213 52.037 0.009 0.000 0.813 419 A CB 0.051 19.161 19.000 0.182 0.000 0.861 419 A HN 0.499 nan 8.150 nan 0.000 0.481 420 Y N -3.040 117.059 120.300 -0.336 0.000 2.715 420 Y HA 0.818 5.372 4.550 0.007 0.000 0.331 420 Y C -0.939 174.817 175.900 -0.241 0.000 1.197 420 Y CA -1.645 56.217 58.100 -0.397 0.000 1.079 420 Y CB 0.761 38.799 38.460 -0.702 0.000 1.298 420 Y HN -0.024 nan 8.280 nan 0.000 0.477 421 E N 0.899 121.081 120.200 -0.030 0.000 2.290 421 E HA 0.228 4.582 4.350 0.006 0.000 0.274 421 E C -1.284 175.364 176.600 0.080 0.000 0.889 421 E CA -1.072 55.299 56.400 -0.049 0.000 0.760 421 E CB 1.994 31.649 29.700 -0.075 0.000 1.206 421 E HN 0.517 nan 8.360 nan 0.000 0.419 422 E N 1.707 121.958 120.200 0.085 0.000 2.422 422 E HA 0.168 4.522 4.350 0.006 0.000 0.260 422 E C 0.005 176.614 176.600 0.015 0.000 1.108 422 E CA 0.303 56.745 56.400 0.069 0.000 0.943 422 E CB 0.793 30.532 29.700 0.065 0.000 0.961 422 E HN 0.423 nan 8.360 nan 0.000 0.443 423 I N 0.636 121.197 120.570 -0.014 0.000 2.566 423 I HA 0.028 4.202 4.170 0.006 0.000 0.303 423 I C 0.808 176.941 176.117 0.027 0.000 0.983 423 I CA -0.537 60.738 61.300 -0.042 0.000 1.235 423 I CB 1.538 39.417 38.000 -0.202 0.000 1.386 423 I HN 0.252 nan 8.210 nan 0.000 0.494 424 S N 4.276 120.028 115.700 0.086 0.000 2.481 424 S HA 0.032 4.506 4.470 0.006 0.000 0.282 424 S C 1.169 175.787 174.600 0.029 0.000 1.243 424 S CA -0.373 57.843 58.200 0.027 0.000 1.078 424 S CB 0.241 63.402 63.200 -0.065 0.000 0.916 424 S HN 0.438 nan 8.310 nan 0.000 0.495 425 K N 4.051 124.457 120.400 0.009 0.000 2.360 425 K HA -0.077 4.247 4.320 0.006 0.000 0.201 425 K C 1.479 178.086 176.600 0.012 0.000 1.046 425 K CA 1.103 57.409 56.287 0.032 0.000 0.945 425 K CB -0.071 32.441 32.500 0.021 0.000 0.750 425 K HN 0.745 nan 8.250 nan 0.000 0.464 426 E N -0.402 119.745 120.200 -0.090 0.000 2.338 426 E HA -0.131 4.223 4.350 0.006 0.000 0.197 426 E C 0.872 177.435 176.600 -0.062 0.000 1.007 426 E CA 0.743 57.064 56.400 -0.132 0.000 0.849 426 E CB -0.070 29.482 29.700 -0.247 0.000 0.774 426 E HN 0.589 nan 8.360 nan 0.000 0.506 427 H N -0.835 118.326 119.070 0.152 0.000 2.586 427 H HA 0.219 4.779 4.556 0.006 0.000 0.273 427 H C 0.158 175.625 175.328 0.231 0.000 0.997 427 H CA -0.574 55.569 56.048 0.158 0.000 1.177 427 H CB 0.584 30.467 29.762 0.201 0.000 1.471 427 H HN -0.065 nan 8.280 nan 0.000 0.538 428 L N 1.106 122.509 121.223 0.300 0.000 2.379 428 L HA 0.643 4.986 4.340 0.006 0.000 0.269 428 L C -0.050 176.931 176.870 0.185 0.000 1.084 428 L CA -0.912 54.088 54.840 0.266 0.000 0.802 428 L CB 1.435 43.609 42.059 0.192 0.000 1.175 428 L HN 0.095 nan 8.230 nan 0.000 0.448 429 A N 2.185 125.125 122.820 0.201 0.000 2.486 429 A HA 0.820 5.144 4.320 0.006 0.000 0.300 429 A C -1.095 176.572 177.584 0.138 0.000 1.048 429 A CA -0.526 51.596 52.037 0.141 0.000 0.696 429 A CB 2.010 21.094 19.000 0.139 0.000 1.278 429 A HN 0.531 nan 8.150 nan 0.000 0.405 430 V N -0.762 119.215 119.914 0.104 0.000 2.932 430 V HA 0.676 4.800 4.120 0.006 0.000 0.307 430 V C -0.953 175.221 176.094 0.135 0.000 1.147 430 V CA -0.932 61.437 62.300 0.114 0.000 0.951 430 V CB 1.231 33.103 31.823 0.082 0.000 1.031 430 V HN 1.118 nan 8.190 nan 0.000 0.426 431 Y N 3.432 123.739 120.300 0.011 0.000 2.496 431 Y HA 0.577 5.131 4.550 0.006 0.000 0.334 431 Y C 0.257 176.146 175.900 -0.017 0.000 1.080 431 Y CA -0.037 58.059 58.100 -0.006 0.000 1.355 431 Y CB 0.588 39.049 38.460 0.001 0.000 1.193 431 Y HN 0.794 nan 8.280 nan 0.000 0.523 432 K N 6.385 126.546 120.400 -0.399 0.000 2.328 432 K HA 0.545 4.869 4.320 0.006 0.000 0.246 432 K C -1.433 174.824 176.600 -0.572 0.000 0.955 432 K CA -1.042 55.010 56.287 -0.392 0.000 0.817 432 K CB 1.958 34.334 32.500 -0.207 0.000 1.208 432 K HN 0.455 nan 8.250 nan 0.000 0.432 433 I N 2.414 122.731 120.570 -0.423 0.000 2.355 433 I HA 0.166 4.340 4.170 0.006 0.000 0.288 433 I C -0.256 175.700 176.117 -0.269 0.000 0.999 433 I CA -0.349 60.737 61.300 -0.357 0.000 1.163 433 I CB 1.351 39.176 38.000 -0.291 0.000 1.316 433 I HN 0.645 nan 8.210 nan 0.000 0.454 434 Q N 6.837 126.487 119.800 -0.250 0.000 2.406 434 Q HA 0.382 4.725 4.340 0.006 0.000 0.242 434 Q C -0.794 175.046 176.000 -0.268 0.000 1.036 434 Q CA -0.374 55.285 55.803 -0.240 0.000 0.904 434 Q CB 0.723 29.325 28.738 -0.226 0.000 1.244 434 Q HN 0.538 nan 8.270 nan 0.000 0.478 435 M N 3.739 123.195 119.600 -0.241 0.000 2.135 435 M HA 0.233 4.717 4.480 0.006 0.000 0.345 435 M C -0.928 175.212 176.300 -0.267 0.000 1.340 435 M CA -0.420 54.737 55.300 -0.239 0.000 1.162 435 M CB 0.348 32.858 32.600 -0.149 0.000 1.570 435 M HN 0.583 nan 8.290 nan 0.000 0.454 436 C N 3.004 122.079 119.300 -0.375 0.000 2.365 436 C HA 0.505 4.969 4.460 0.006 0.000 0.349 436 C C 0.523 175.432 174.990 -0.134 0.000 1.191 436 C CA -1.103 57.709 59.018 -0.344 0.000 2.114 436 C CB 1.102 28.417 27.740 -0.709 0.000 2.367 436 C HN 0.707 nan 8.230 nan 0.000 0.530 437 K N 0.953 121.342 120.400 -0.018 0.000 2.118 437 K HA 0.276 4.600 4.320 0.006 0.000 0.254 437 K C 0.970 177.664 176.600 0.158 0.000 0.961 437 K CA -0.105 56.218 56.287 0.061 0.000 0.876 437 K CB 1.314 33.832 32.500 0.030 0.000 1.077 437 K HN 0.826 nan 8.250 nan 0.000 0.440 438 S N 0.057 115.837 115.700 0.134 0.000 2.500 438 S HA -0.062 4.411 4.470 0.006 0.000 0.239 438 S C 1.205 175.841 174.600 0.059 0.000 0.989 438 S CA -0.009 58.251 58.200 0.099 0.000 0.951 438 S CB -0.565 62.659 63.200 0.039 0.000 0.759 438 S HN 0.343 nan 8.310 nan 0.000 0.523 443 G N 2.126 110.959 108.800 0.055 0.000 2.432 443 G HA2 0.341 4.305 3.960 0.006 0.000 0.239 443 G HA3 0.341 4.305 3.960 0.006 0.000 0.239 443 G C 0.244 175.147 174.900 0.005 0.000 1.291 443 G CA -0.595 44.533 45.100 0.047 0.000 0.863 443 G HN 0.755 nan 8.290 nan 0.000 0.560 444 I N 0.804 121.366 120.570 -0.012 0.000 2.754 444 I HA 0.269 4.443 4.170 0.006 0.000 0.285 444 I C -0.095 175.976 176.117 -0.077 0.000 1.166 444 I CA -0.331 60.948 61.300 -0.034 0.000 1.417 444 I CB 0.355 38.343 38.000 -0.020 0.000 1.382 444 I HN 0.325 nan 8.210 nan 0.000 0.588 445 C N 7.217 126.452 119.300 -0.108 0.000 2.634 445 C HA 0.640 5.104 4.460 0.006 0.000 0.313 445 C C -0.223 174.616 174.990 -0.251 0.000 1.198 445 C CA -0.703 58.211 59.018 -0.174 0.000 1.605 445 C CB 1.149 28.788 27.740 -0.168 0.000 2.196 445 C HN 0.591 nan 8.230 nan 0.000 0.486 446 I N 1.834 122.218 120.570 -0.309 0.000 2.533 446 I HA 0.304 4.478 4.170 0.006 0.000 0.290 446 I C -1.177 174.769 176.117 -0.286 0.000 1.056 446 I CA -0.149 60.883 61.300 -0.446 0.000 1.057 446 I CB 1.858 39.509 38.000 -0.581 0.000 1.240 446 I HN 0.539 nan 8.210 nan 0.000 0.423 447 D N 5.321 125.581 120.400 -0.233 0.000 2.232 447 D HA 0.502 5.146 4.640 0.006 0.000 0.242 447 D C -0.710 175.506 176.300 -0.140 0.000 1.093 447 D CA 0.043 53.940 54.000 -0.171 0.000 0.845 447 D CB 2.076 42.802 40.800 -0.123 0.000 1.124 447 D HN 0.017 nan 8.370 nan 0.000 0.467 448 V N 2.593 122.403 119.914 -0.173 0.000 2.656 448 V HA 0.251 4.375 4.120 0.006 0.000 0.307 448 V C -0.322 175.672 176.094 -0.166 0.000 1.051 448 V CA -1.033 61.168 62.300 -0.164 0.000 0.893 448 V CB 2.205 33.827 31.823 -0.335 0.000 0.999 448 V HN 0.385 nan 8.190 nan 0.000 0.426 449 D N 2.984 123.332 120.400 -0.087 0.000 2.343 449 D HA 0.077 4.721 4.640 0.006 0.000 0.255 449 D C 1.116 177.383 176.300 -0.055 0.000 1.187 449 D CA 0.197 54.161 54.000 -0.060 0.000 0.875 449 D CB 1.013 41.815 40.800 0.004 0.000 1.136 449 D HN 0.655 nan 8.370 nan 0.000 0.469 450 N N 3.018 121.686 118.700 -0.055 0.000 2.165 450 N HA -0.293 4.451 4.740 0.006 0.000 0.198 450 N C 1.049 176.602 175.510 0.072 0.000 0.999 450 N CA 1.847 54.915 53.050 0.030 0.000 0.893 450 N CB 0.169 38.807 38.487 0.251 0.000 1.025 450 N HN 0.484 nan 8.380 nan 0.000 0.456 451 E N -0.745 119.500 120.200 0.075 0.000 2.118 451 E HA -0.181 4.173 4.350 0.006 0.000 0.195 451 E C 1.024 177.674 176.600 0.082 0.000 0.992 451 E CA 1.253 57.702 56.400 0.081 0.000 0.804 451 E CB -0.186 29.552 29.700 0.063 0.000 0.741 451 E HN 0.536 nan 8.360 nan 0.000 0.458 452 D N 0.728 121.164 120.400 0.059 0.000 2.269 452 D HA -0.016 4.628 4.640 0.006 0.000 0.208 452 D C 0.974 177.326 176.300 0.086 0.000 0.963 452 D CA 0.479 54.523 54.000 0.073 0.000 0.864 452 D CB 0.044 40.909 40.800 0.108 0.000 0.936 452 D HN 0.136 nan 8.370 nan 0.000 0.505 453 L N 0.245 121.515 121.223 0.078 0.000 2.474 453 L HA 0.080 4.424 4.340 0.006 0.000 0.259 453 L C 0.375 177.333 176.870 0.147 0.000 1.232 453 L CA -0.307 54.631 54.840 0.162 0.000 0.821 453 L CB 0.011 42.138 42.059 0.113 0.000 1.108 453 L HN -0.191 nan 8.230 nan 0.000 0.495 454 F N 0.510 120.633 119.950 0.289 0.000 2.427 454 F HA 0.177 4.713 4.527 0.015 0.000 0.352 454 F C 0.194 176.107 175.800 0.188 0.000 1.100 454 F CA -0.081 58.058 58.000 0.231 0.000 1.191 454 F CB 0.232 39.353 39.000 0.201 0.000 1.128 454 F HN 0.122 nan 8.300 nan 0.000 0.533 455 F N 5.371 125.477 119.950 0.261 0.000 2.411 455 F HA 0.585 5.116 4.527 0.006 0.000 0.355 455 F C -0.595 175.281 175.800 0.126 0.000 1.117 455 F CA -0.634 57.472 58.000 0.177 0.000 1.139 455 F CB 0.204 39.322 39.000 0.196 0.000 1.120 455 F HN 0.252 nan 8.300 nan 0.000 0.493 456 I N 6.931 127.265 120.570 -0.393 0.000 2.476 456 I HA 0.343 4.516 4.170 0.006 0.000 0.281 456 I C -0.147 175.754 176.117 -0.360 0.000 1.040 456 I CA -0.913 60.266 61.300 -0.202 0.000 1.094 456 I CB 1.448 39.365 38.000 -0.138 0.000 1.219 456 I HN 0.748 nan 8.210 nan 0.000 0.450 457 A N 5.128 127.877 122.820 -0.118 0.000 2.546 457 A HA 0.030 4.354 4.320 0.006 0.000 0.243 457 A C 0.144 177.750 177.584 0.037 0.000 1.063 457 A CA 0.142 52.173 52.037 -0.010 0.000 0.757 457 A CB 0.140 19.313 19.000 0.288 0.000 0.991 457 A HN 0.767 nan 8.150 nan 0.000 0.503 458 D N 1.772 122.136 120.400 -0.060 0.000 2.341 458 D HA 0.031 4.674 4.640 0.006 0.000 0.245 458 D C 1.081 177.433 176.300 0.087 0.000 1.106 458 D CA -0.199 53.795 54.000 -0.009 0.000 0.905 458 D CB 0.810 41.567 40.800 -0.072 0.000 1.202 458 D HN 0.626 nan 8.370 nan 0.000 0.426 459 K N 2.454 122.964 120.400 0.183 0.000 2.173 459 K HA -0.190 4.134 4.320 0.006 0.000 0.207 459 K C 1.231 177.930 176.600 0.164 0.000 1.046 459 K CA 1.134 57.595 56.287 0.290 0.000 0.929 459 K CB 0.063 32.679 32.500 0.194 0.000 0.720 459 K HN 0.403 nan 8.250 nan 0.000 0.453 460 N N 0.415 119.125 118.700 0.016 0.000 2.585 460 N HA -0.075 4.669 4.740 0.006 0.000 0.188 460 N C 1.131 176.536 175.510 -0.176 0.000 1.102 460 N CA 0.757 53.781 53.050 -0.043 0.000 0.920 460 N CB 0.071 38.533 38.487 -0.040 0.000 0.963 460 N HN 0.145 nan 8.380 nan 0.000 0.447 461 S N 0.043 115.474 115.700 -0.449 0.000 2.481 461 S HA 0.060 4.534 4.470 0.006 0.000 0.231 461 S C 0.284 174.397 174.600 -0.811 0.000 0.996 461 S CA 0.468 58.227 58.200 -0.735 0.000 0.942 461 S CB -0.008 62.555 63.200 -1.062 0.000 0.768 461 S HN 0.200 nan 8.310 nan 0.000 0.520 462 F N 1.428 121.402 119.950 0.040 0.000 2.436 462 F HA 0.488 5.019 4.527 0.006 0.000 0.340 462 F C 0.613 176.430 175.800 0.028 0.000 1.113 462 F CA -1.214 56.809 58.000 0.038 0.000 1.022 462 F CB 0.880 39.903 39.000 0.038 0.000 1.128 462 F HN -0.195 nan 8.300 nan 0.000 0.466 463 S N 0.859 116.661 115.700 0.170 0.000 2.558 463 S HA -0.057 4.417 4.470 0.006 0.000 0.288 463 S C 0.451 175.108 174.600 0.096 0.000 1.318 463 S CA -0.217 58.045 58.200 0.104 0.000 1.056 463 S CB 0.311 63.563 63.200 0.087 0.000 0.853 463 S HN 0.747 nan 8.310 nan 0.000 0.505 464 D N 1.771 122.208 120.400 0.062 0.000 2.424 464 D HA 0.211 4.855 4.640 0.006 0.000 0.220 464 D C 0.460 176.771 176.300 0.019 0.000 1.150 464 D CA -0.165 53.859 54.000 0.041 0.000 0.831 464 D CB 0.050 40.873 40.800 0.038 0.000 0.981 464 D HN 0.536 nan 8.370 nan 0.000 0.500 465 D N 0.024 120.436 120.400 0.020 0.000 2.354 465 D HA -0.119 4.525 4.640 0.006 0.000 0.216 465 D C 1.925 178.217 176.300 -0.014 0.000 0.970 465 D CA 0.460 54.464 54.000 0.006 0.000 0.905 465 D CB 0.181 40.987 40.800 0.010 0.000 0.903 465 D HN 0.408 nan 8.370 nan 0.000 0.508 466 L N 0.620 121.827 121.223 -0.026 0.000 2.291 466 L HA -0.101 4.243 4.340 0.006 0.000 0.214 466 L C 2.274 179.108 176.870 -0.060 0.000 1.120 466 L CA 0.860 55.661 54.840 -0.064 0.000 0.799 466 L CB -0.265 41.736 42.059 -0.096 0.000 0.925 466 L HN 0.058 nan 8.230 nan 0.000 0.446 467 S N -1.360 114.322 115.700 -0.031 0.000 2.522 467 S HA -0.028 4.446 4.470 0.006 0.000 0.227 467 S C 0.887 175.491 174.600 0.007 0.000 0.986 467 S CA 0.059 58.251 58.200 -0.014 0.000 0.929 467 S CB -0.172 63.026 63.200 -0.003 0.000 0.769 467 S HN 0.268 nan 8.310 nan 0.000 0.529 468 K N 2.235 122.638 120.400 0.004 0.000 2.237 468 K HA 0.254 4.578 4.320 0.006 0.000 0.270 468 K C -0.407 176.210 176.600 0.029 0.000 1.015 468 K CA -0.535 55.760 56.287 0.013 0.000 0.949 468 K CB 0.263 32.764 32.500 0.001 0.000 0.976 468 K HN 0.249 nan 8.250 nan 0.000 0.472 469 N N 2.493 121.216 118.700 0.038 0.000 2.508 469 N HA 0.062 4.805 4.740 0.006 0.000 0.264 469 N C -0.359 175.146 175.510 -0.008 0.000 1.216 469 N CA 0.172 53.258 53.050 0.060 0.000 0.943 469 N CB 0.795 39.317 38.487 0.058 0.000 1.113 469 N HN 0.428 nan 8.380 nan 0.000 0.447 470 E N 1.201 121.363 120.200 -0.063 0.000 2.199 470 E HA 0.296 4.650 4.350 0.006 0.000 0.269 470 E C -0.358 176.074 176.600 -0.280 0.000 0.899 470 E CA -0.581 55.671 56.400 -0.246 0.000 0.772 470 E CB 2.263 31.662 29.700 -0.501 0.000 1.155 470 E HN 0.242 nan 8.360 nan 0.000 0.408 471 R N 2.365 122.739 120.500 -0.211 0.000 2.297 471 R HA 0.414 4.758 4.340 0.006 0.000 0.308 471 R C -0.033 176.142 176.300 -0.208 0.000 1.029 471 R CA -0.678 55.325 56.100 -0.163 0.000 0.929 471 R CB 0.871 31.116 30.300 -0.092 0.000 1.046 471 R HN 0.345 nan 8.270 nan 0.000 0.461 472 I N 2.236 122.695 120.570 -0.185 0.000 2.525 472 I HA 0.407 4.581 4.170 0.006 0.000 0.301 472 I C 0.172 176.251 176.117 -0.063 0.000 0.992 472 I CA -0.426 60.781 61.300 -0.154 0.000 1.162 472 I CB 1.594 39.508 38.000 -0.143 0.000 1.332 472 I HN 0.628 nan 8.210 nan 0.000 0.458 473 E N 2.105 122.304 120.200 -0.002 0.000 2.423 473 E HA 0.172 4.526 4.350 0.006 0.000 0.280 473 E C -0.320 176.364 176.600 0.139 0.000 1.030 473 E CA -0.586 55.900 56.400 0.144 0.000 0.812 473 E CB 1.857 31.611 29.700 0.090 0.000 1.313 473 E HN 0.547 nan 8.360 nan 0.000 0.456 474 Y N 0.516 120.957 120.300 0.234 0.000 2.446 474 Y HA -0.165 4.389 4.550 0.006 0.000 0.287 474 Y C 1.061 176.992 175.900 0.051 0.000 1.159 474 Y CA 1.669 59.835 58.100 0.110 0.000 1.297 474 Y CB -0.478 37.977 38.460 -0.008 0.000 0.974 474 Y HN 0.378 nan 8.280 nan 0.000 0.557 475 N N 0.150 118.454 118.700 -0.659 0.000 2.131 475 N HA -0.076 4.667 4.740 0.006 0.000 0.190 475 N C 0.013 175.398 175.510 -0.208 0.000 1.055 475 N CA 0.972 53.707 53.050 -0.525 0.000 0.853 475 N CB -0.366 37.816 38.487 -0.509 0.000 1.035 475 N HN 0.094 nan 8.380 nan 0.000 0.440 476 T N 2.480 116.939 114.554 -0.159 0.000 2.274 476 T HA -0.179 4.175 4.350 0.006 0.000 0.178 476 T C -0.145 174.521 174.700 -0.056 0.000 1.049 476 T CA 0.853 62.894 62.100 -0.099 0.000 1.255 476 T CB -0.459 68.352 68.868 -0.095 0.000 0.980 476 T HN 0.311 nan 8.240 nan 0.000 0.434 477 Q N 1.387 121.160 119.800 -0.045 0.000 2.496 477 Q HA 0.692 5.036 4.340 0.006 0.000 0.286 477 Q C -0.063 175.938 176.000 0.001 0.000 1.103 477 Q CA -1.247 54.553 55.803 -0.005 0.000 0.813 477 Q CB 1.472 30.212 28.738 0.004 0.000 1.444 477 Q HN 0.587 nan 8.270 nan 0.000 0.443 478 S N 1.020 116.753 115.700 0.055 0.000 2.584 478 S HA 0.244 4.717 4.470 0.006 0.000 0.270 478 S C -0.330 174.267 174.600 -0.006 0.000 1.346 478 S CA -0.459 57.779 58.200 0.064 0.000 1.018 478 S CB 0.110 63.497 63.200 0.312 0.000 0.899 478 S HN 0.639 nan 8.310 nan 0.000 0.542 479 N N 1.825 120.409 118.700 -0.194 0.000 2.648 479 N HA 0.288 5.032 4.740 0.006 0.000 0.261 479 N C -2.023 173.276 175.510 -0.352 0.000 1.138 479 N CA -0.171 52.758 53.050 -0.202 0.000 0.804 479 N CB 0.884 39.257 38.487 -0.189 0.000 1.237 479 N HN 0.638 nan 8.380 nan 0.000 0.532 480 Y N 0.951 121.210 120.300 -0.067 0.000 2.350 480 Y HA 0.523 5.076 4.550 0.006 0.000 0.338 480 Y C 0.374 176.217 175.900 -0.095 0.000 0.961 480 Y CA -0.681 57.387 58.100 -0.055 0.000 1.100 480 Y CB 1.901 40.342 38.460 -0.032 0.000 1.179 480 Y HN 0.265 nan 8.280 nan 0.000 0.454 481 I N 3.204 123.797 120.570 0.038 0.000 2.328 481 I HA 0.209 4.383 4.170 0.006 0.000 0.287 481 I C -0.326 175.782 176.117 -0.015 0.000 1.012 481 I CA -0.689 60.611 61.300 -0.001 0.000 1.195 481 I CB 1.328 39.341 38.000 0.021 0.000 1.350 481 I HN 0.553 nan 8.210 nan 0.000 0.464 482 E N 5.229 125.400 120.200 -0.048 0.000 2.180 482 E HA 0.117 4.470 4.350 0.006 0.000 0.283 482 E C -0.101 176.175 176.600 -0.539 0.000 1.061 482 E CA -0.158 56.139 56.400 -0.173 0.000 0.861 482 E CB 0.392 30.036 29.700 -0.094 0.000 1.056 482 E HN 0.342 nan 8.360 nan 0.000 0.407 483 N N 3.832 122.093 118.700 -0.732 0.000 2.906 483 N HA 0.093 4.836 4.740 0.006 0.000 0.282 483 N C -1.264 173.743 175.510 -0.838 0.000 1.293 483 N CA 0.174 52.339 53.050 -1.475 0.000 1.059 483 N CB 0.036 38.115 38.487 -0.680 0.000 1.388 483 N HN 0.403 nan 8.380 nan 0.000 0.533 484 D N -0.580 119.507 120.400 -0.522 0.000 2.602 484 D HA 0.513 5.157 4.640 0.006 0.000 0.236 484 D C -1.793 174.592 176.300 0.143 0.000 1.209 484 D CA -0.656 53.281 54.000 -0.106 0.000 0.831 484 D CB 1.171 41.905 40.800 -0.109 0.000 1.478 484 D HN -0.084 nan 8.370 nan 0.000 0.438 485 F N 2.289 122.231 119.950 -0.014 0.000 2.651 485 F HA 0.395 4.925 4.527 0.006 0.000 0.329 485 F C -2.336 173.435 175.800 -0.048 0.000 1.186 485 F CA -1.601 56.393 58.000 -0.010 0.000 1.046 485 F CB 2.038 41.043 39.000 0.008 0.000 1.296 485 F HN 0.057 nan 8.300 nan 0.000 0.497 486 P HA 0.034 nan 4.420 nan 0.000 0.257 486 P C 0.956 178.066 177.300 -0.316 0.000 1.227 486 P CA 0.237 63.096 63.100 -0.401 0.000 0.981 486 P CB 0.547 31.986 31.700 -0.435 0.000 1.044 487 I N 3.772 124.278 120.570 -0.106 0.000 2.657 487 I HA -0.253 3.921 4.170 0.006 0.000 0.261 487 I C 1.642 177.724 176.117 -0.057 0.000 1.212 487 I CA 1.415 62.693 61.300 -0.036 0.000 1.453 487 I CB -0.622 37.364 38.000 -0.023 0.000 1.092 487 I HN 0.197 nan 8.210 nan 0.000 0.452 488 N N 0.175 118.822 118.700 -0.089 0.000 2.290 488 N HA -0.150 4.594 4.740 0.006 0.000 0.179 488 N C 1.745 177.215 175.510 -0.067 0.000 1.016 488 N CA 1.176 54.185 53.050 -0.069 0.000 0.871 488 N CB -0.094 38.352 38.487 -0.069 0.000 0.987 488 N HN 0.577 nan 8.380 nan 0.000 0.431 489 E N 0.290 120.421 120.200 -0.115 0.000 2.208 489 E HA -0.154 4.200 4.350 0.006 0.000 0.193 489 E C 1.801 178.397 176.600 -0.007 0.000 0.988 489 E CA 0.675 57.022 56.400 -0.087 0.000 0.828 489 E CB -0.200 29.404 29.700 -0.160 0.000 0.763 489 E HN 0.248 nan 8.360 nan 0.000 0.478 490 L N 1.183 122.428 121.223 0.038 0.000 2.093 490 L HA 0.000 4.344 4.340 0.006 0.000 0.208 490 L C 2.132 179.023 176.870 0.035 0.000 1.085 490 L CA 1.484 56.402 54.840 0.130 0.000 0.755 490 L CB -0.155 41.997 42.059 0.155 0.000 0.904 490 L HN 0.185 nan 8.230 nan 0.000 0.435 491 I N -0.985 119.589 120.570 0.006 0.000 2.830 491 I HA -0.196 3.978 4.170 0.006 0.000 0.263 491 I C 1.549 177.674 176.117 0.013 0.000 1.230 491 I CA 0.828 62.134 61.300 0.010 0.000 1.480 491 I CB -0.007 37.990 38.000 -0.004 0.000 1.095 491 I HN 0.281 nan 8.210 nan 0.000 0.455 492 L N -1.026 120.202 121.223 0.008 0.000 2.731 492 L HA 0.179 4.523 4.340 0.006 0.000 0.240 492 L C 0.371 177.253 176.870 0.020 0.000 1.120 492 L CA -0.247 54.597 54.840 0.007 0.000 0.913 492 L CB -0.064 41.990 42.059 -0.007 0.000 1.213 492 L HN 0.009 nan 8.230 nan 0.000 0.515 493 D N 1.109 121.530 120.400 0.035 0.000 2.502 493 D HA -0.061 4.583 4.640 0.006 0.000 0.249 493 D C 1.077 177.404 176.300 0.045 0.000 1.188 493 D CA 0.561 54.592 54.000 0.051 0.000 0.890 493 D CB 1.348 42.197 40.800 0.081 0.000 1.140 493 D HN -0.006 nan 8.370 nan 0.000 0.505 494 T N 2.414 116.991 114.554 0.040 0.000 2.894 494 T HA -0.073 4.281 4.350 0.006 0.000 0.258 494 T C 1.098 175.823 174.700 0.041 0.000 1.043 494 T CA 0.544 62.665 62.100 0.035 0.000 1.141 494 T CB 0.171 69.056 68.868 0.029 0.000 0.873 494 T HN 0.408 nan 8.240 nan 0.000 0.449 495 D N 0.518 120.947 120.400 0.048 0.000 2.340 495 D HA 0.168 4.811 4.640 0.006 0.000 0.217 495 D C 1.636 177.970 176.300 0.057 0.000 1.081 495 D CA -0.068 53.963 54.000 0.051 0.000 0.842 495 D CB 0.344 41.178 40.800 0.057 0.000 0.934 495 D HN 0.198 nan 8.370 nan 0.000 0.511 496 L N 0.671 121.930 121.223 0.060 0.000 1.973 496 L HA -0.053 4.291 4.340 0.006 0.000 0.208 496 L C 0.607 177.510 176.870 0.056 0.000 1.073 496 L CA 1.292 56.169 54.840 0.062 0.000 0.746 496 L CB -0.086 42.016 42.059 0.071 0.000 0.891 496 L HN -0.151 nan 8.230 nan 0.000 0.433 497 I N 1.525 122.127 120.570 0.054 0.000 2.494 497 I HA -0.002 4.171 4.170 0.006 0.000 0.289 497 I C 0.800 176.935 176.117 0.030 0.000 1.106 497 I CA 0.400 61.727 61.300 0.045 0.000 1.369 497 I CB -0.847 37.179 38.000 0.044 0.000 1.410 497 I HN 0.251 nan 8.210 nan 0.000 0.523 498 S N 6.956 122.669 115.700 0.022 0.000 2.558 498 S HA -0.027 4.446 4.470 0.006 0.000 0.293 498 S C 1.005 175.601 174.600 -0.007 0.000 1.292 498 S CA 0.051 58.253 58.200 0.003 0.000 1.063 498 S CB 0.104 63.293 63.200 -0.018 0.000 0.831 498 S HN 0.716 nan 8.310 nan 0.000 0.499 499 K N 4.151 124.547 120.400 -0.007 0.000 2.618 499 K HA 0.310 4.634 4.320 0.006 0.000 0.207 499 K C -0.533 176.052 176.600 -0.025 0.000 1.058 499 K CA -0.612 55.667 56.287 -0.012 0.000 1.086 499 K CB 0.156 32.656 32.500 -0.000 0.000 0.827 499 K HN 0.369 nan 8.250 nan 0.000 0.481 500 I N 2.463 123.008 120.570 -0.041 0.000 2.331 500 I HA 0.158 4.332 4.170 0.006 0.000 0.292 500 I C 0.604 176.662 176.117 -0.097 0.000 0.998 500 I CA -1.016 60.247 61.300 -0.062 0.000 1.267 500 I CB 0.892 38.850 38.000 -0.069 0.000 1.386 500 I HN 0.366 nan 8.210 nan 0.000 0.476 501 E N 3.834 123.976 120.200 -0.096 0.000 3.048 501 E HA -0.159 4.194 4.350 0.006 0.000 0.280 501 E C -0.980 175.514 176.600 -0.177 0.000 0.905 501 E CA 0.114 56.444 56.400 -0.117 0.000 0.977 501 E CB 0.518 30.150 29.700 -0.113 0.000 0.954 501 E HN 0.343 nan 8.360 nan 0.000 0.500 502 L N 7.416 128.544 121.223 -0.159 0.000 2.264 502 L HA 0.404 4.748 4.340 0.006 0.000 0.289 502 L C -2.307 174.435 176.870 -0.213 0.000 1.044 502 L CA -1.881 52.841 54.840 -0.197 0.000 0.807 502 L CB 0.981 42.963 42.059 -0.128 0.000 1.192 502 L HN 0.438 nan 8.230 nan 0.000 0.425 503 P HA 0.146 nan 4.420 nan 0.000 0.268 503 P C -0.828 176.412 177.300 -0.101 0.000 1.208 503 P CA -0.170 62.741 63.100 -0.316 0.000 0.777 503 P CB 0.374 31.652 31.700 -0.703 0.000 0.875 504 S N 0.544 116.244 115.700 0.001 0.000 2.568 504 S HA 0.013 4.487 4.470 0.006 0.000 0.282 504 S C 1.066 175.790 174.600 0.207 0.000 1.338 504 S CA -0.062 58.187 58.200 0.081 0.000 1.045 504 S CB 0.471 63.721 63.200 0.083 0.000 0.873 504 S HN 0.606 nan 8.310 nan 0.000 0.516 505 E N 1.786 122.112 120.200 0.210 0.000 2.299 505 E HA -0.018 4.336 4.350 0.006 0.000 0.193 505 E C 0.106 176.835 176.600 0.214 0.000 0.998 505 E CA -0.028 56.563 56.400 0.318 0.000 0.851 505 E CB -0.193 29.662 29.700 0.259 0.000 0.795 505 E HN 0.572 nan 8.360 nan 0.000 0.492 506 N N 1.274 120.051 118.700 0.128 0.000 2.518 506 N HA 0.095 4.839 4.740 0.006 0.000 0.266 506 N C -0.322 175.177 175.510 -0.018 0.000 1.196 506 N CA 0.704 53.768 53.050 0.023 0.000 0.947 506 N CB 1.611 40.118 38.487 0.034 0.000 1.098 506 N HN 0.152 nan 8.380 nan 0.000 0.450 507 T N -0.170 114.292 114.554 -0.154 0.000 2.658 507 T HA 0.075 4.429 4.350 0.006 0.000 0.305 507 T C -1.574 173.021 174.700 -0.176 0.000 1.551 507 T CA -0.652 61.334 62.100 -0.191 0.000 0.985 507 T CB 0.653 69.190 68.868 -0.551 0.000 1.731 507 T HN 0.221 nan 8.240 nan 0.000 0.486 508 E N 2.158 122.270 120.200 -0.148 0.000 2.384 508 E HA 0.286 4.640 4.350 0.006 0.000 0.266 508 E C 0.345 176.855 176.600 -0.150 0.000 1.012 508 E CA 0.110 56.442 56.400 -0.114 0.000 0.901 508 E CB 0.983 30.634 29.700 -0.081 0.000 0.967 508 E HN 0.687 nan 8.360 nan 0.000 0.435 509 S N 2.307 117.942 115.700 -0.109 0.000 2.573 509 S HA 0.085 4.558 4.470 0.006 0.000 0.277 509 S C 0.350 174.867 174.600 -0.138 0.000 1.346 509 S CA -0.827 57.313 58.200 -0.101 0.000 1.034 509 S CB 0.619 63.797 63.200 -0.037 0.000 0.879 509 S HN 0.408 nan 8.310 nan 0.000 0.528 510 L N 2.568 123.688 121.223 -0.172 0.000 2.410 510 L HA 0.355 4.699 4.340 0.006 0.000 0.273 510 L C 1.310 177.857 176.870 -0.540 0.000 1.152 510 L CA 0.983 55.625 54.840 -0.331 0.000 0.855 510 L CB 0.905 42.755 42.059 -0.348 0.000 1.129 510 L HN 1.080 nan 8.230 nan 0.000 0.463 511 T N -1.126 113.097 114.554 -0.552 0.000 2.964 511 T HA 0.173 4.527 4.350 0.006 0.000 0.249 511 T C 0.348 174.669 174.700 -0.632 0.000 1.000 511 T CA 0.097 61.894 62.100 -0.506 0.000 0.992 511 T CB -0.120 68.632 68.868 -0.193 0.000 1.087 511 T HN 0.509 nan 8.240 nan 0.000 0.489 512 D N 0.895 120.964 120.400 -0.551 0.000 2.479 512 D HA 0.312 4.956 4.640 0.006 0.000 0.218 512 D C -0.344 175.732 176.300 -0.373 0.000 1.131 512 D CA -1.278 52.522 54.000 -0.335 0.000 0.916 512 D CB -0.199 40.492 40.800 -0.181 0.000 1.022 512 D HN 0.291 nan 8.370 nan 0.000 0.515 513 F N 1.374 121.311 119.950 -0.021 0.000 2.811 513 F HA 0.113 4.644 4.527 0.006 0.000 0.301 513 F C 1.257 177.048 175.800 -0.015 0.000 1.151 513 F CA -0.599 57.389 58.000 -0.021 0.000 1.412 513 F CB -0.561 38.428 39.000 -0.019 0.000 1.113 513 F HN 0.224 nan 8.300 nan 0.000 0.579 514 N N 1.681 120.439 118.700 0.095 0.000 2.294 514 N HA 0.129 4.873 4.740 0.006 0.000 0.263 514 N C -0.766 174.770 175.510 0.043 0.000 1.281 514 N CA 0.465 53.547 53.050 0.054 0.000 0.846 514 N CB 0.579 39.071 38.487 0.009 0.000 1.061 514 N HN 0.052 nan 8.380 nan 0.000 0.478 515 V N 2.674 122.613 119.914 0.041 0.000 3.174 515 V HA 0.222 4.346 4.120 0.006 0.000 0.280 515 V C -1.869 174.224 176.094 -0.001 0.000 1.554 515 V CA -1.002 61.323 62.300 0.042 0.000 1.016 515 V CB 2.088 33.989 31.823 0.130 0.000 1.197 515 V HN 0.699 nan 8.190 nan 0.000 0.453 516 D N 3.706 124.082 120.400 -0.042 0.000 2.313 516 D HA 0.438 5.082 4.640 0.006 0.000 0.239 516 D C -0.329 175.833 176.300 -0.231 0.000 1.142 516 D CA 0.137 54.066 54.000 -0.118 0.000 0.847 516 D CB 1.873 42.585 40.800 -0.147 0.000 1.082 516 D HN 0.349 nan 8.370 nan 0.000 0.480 517 V N 4.732 124.450 119.914 -0.327 0.000 2.350 517 V HA 0.237 4.361 4.120 0.006 0.000 0.276 517 V C -1.929 173.849 176.094 -0.527 0.000 1.028 517 V CA -1.536 60.383 62.300 -0.635 0.000 0.860 517 V CB 1.131 32.682 31.823 -0.452 0.000 0.990 517 V HN 0.360 nan 8.190 nan 0.000 0.453 518 P HA 0.184 nan 4.420 nan 0.000 0.265 518 P C -0.807 176.038 177.300 -0.758 0.000 1.193 518 P CA 0.022 62.759 63.100 -0.605 0.000 0.765 518 P CB 0.520 31.858 31.700 -0.604 0.000 0.823 519 V N 4.266 123.783 119.914 -0.661 0.000 2.417 519 V HA 0.375 4.499 4.120 0.006 0.000 0.291 519 V C -0.498 175.271 176.094 -0.541 0.000 1.024 519 V CA -0.559 61.429 62.300 -0.520 0.000 0.861 519 V CB 0.555 32.225 31.823 -0.255 0.000 0.985 519 V HN 0.428 nan 8.190 nan 0.000 0.436 520 Y N 2.596 122.774 120.300 -0.204 0.000 2.487 520 Y HA 0.754 5.308 4.550 0.006 0.000 0.337 520 Y C 0.351 176.327 175.900 0.127 0.000 1.076 520 Y CA -0.854 57.191 58.100 -0.093 0.000 1.115 520 Y CB 2.035 40.274 38.460 -0.368 0.000 1.235 520 Y HN 0.774 nan 8.280 nan 0.000 0.468 521 E N 0.274 120.725 120.200 0.420 0.000 2.363 521 E HA 0.410 4.764 4.350 0.006 0.000 0.281 521 E C -1.879 174.714 176.600 -0.013 0.000 0.953 521 E CA -1.306 55.227 56.400 0.221 0.000 0.778 521 E CB 1.699 31.450 29.700 0.084 0.000 1.220 521 E HN 0.456 nan 8.360 nan 0.000 0.431 522 K N 1.310 121.492 120.400 -0.362 0.000 2.180 522 K HA 0.124 4.447 4.320 0.006 0.000 0.251 522 K C -0.028 176.441 176.600 -0.219 0.000 1.014 522 K CA -0.095 55.878 56.287 -0.524 0.000 0.913 522 K CB 0.632 32.770 32.500 -0.602 0.000 1.008 522 K HN 0.636 nan 8.250 nan 0.000 0.490 523 Q N -0.068 119.624 119.800 -0.180 0.000 2.484 523 Q HA 0.474 4.817 4.340 0.006 0.000 0.285 523 Q C -2.878 173.086 176.000 -0.059 0.000 1.097 523 Q CA -2.563 53.183 55.803 -0.095 0.000 0.802 523 Q CB 1.445 30.129 28.738 -0.090 0.000 1.444 523 Q HN 0.151 nan 8.270 nan 0.000 0.429 524 P HA -0.063 nan 4.420 nan 0.000 0.263 524 P C -0.396 176.984 177.300 0.132 0.000 1.175 524 P CA 0.598 63.721 63.100 0.040 0.000 0.761 524 P CB 0.569 32.302 31.700 0.056 0.000 0.794 525 A N 3.907 126.782 122.820 0.091 0.000 2.208 525 A HA 0.136 4.460 4.320 0.006 0.000 0.209 525 A C 0.736 178.371 177.584 0.085 0.000 1.161 525 A CA 0.756 52.884 52.037 0.152 0.000 0.782 525 A CB -0.454 18.578 19.000 0.053 0.000 0.816 525 A HN 0.509 nan 8.150 nan 0.000 0.477 526 I N -0.341 120.240 120.570 0.018 0.000 2.533 526 I HA 0.293 4.467 4.170 0.006 0.000 0.290 526 I C -0.523 175.539 176.117 -0.091 0.000 1.056 526 I CA -0.569 60.666 61.300 -0.109 0.000 1.057 526 I CB 2.264 40.209 38.000 -0.092 0.000 1.240 526 I HN 0.005 nan 8.210 nan 0.000 0.423 527 K N 6.697 126.975 120.400 -0.203 0.000 2.413 527 K HA 0.395 4.718 4.320 0.006 0.000 0.257 527 K C -0.944 175.564 176.600 -0.153 0.000 0.946 527 K CA -0.743 55.476 56.287 -0.113 0.000 0.823 527 K CB 1.655 34.113 32.500 -0.070 0.000 1.109 527 K HN 0.500 nan 8.250 nan 0.000 0.427 528 K N 6.557 126.884 120.400 -0.123 0.000 2.227 528 K HA 0.302 4.626 4.320 0.006 0.000 0.280 528 K C -0.318 176.162 176.600 -0.200 0.000 1.041 528 K CA -0.581 55.587 56.287 -0.199 0.000 0.905 528 K CB 0.488 32.868 32.500 -0.201 0.000 1.068 528 K HN 0.652 nan 8.250 nan 0.000 0.470 529 I N 0.040 120.439 120.570 -0.286 0.000 3.002 529 I HA 0.574 4.748 4.170 0.006 0.000 0.310 529 I C -1.305 174.560 176.117 -0.421 0.000 1.087 529 I CA -1.207 59.977 61.300 -0.194 0.000 1.017 529 I CB 1.534 39.493 38.000 -0.068 0.000 1.226 529 I HN 0.346 nan 8.210 nan 0.000 0.443 530 F N 1.215 121.118 119.950 -0.079 0.000 2.482 530 F HA 0.748 5.278 4.527 0.005 0.000 0.331 530 F C 0.313 176.021 175.800 -0.152 0.000 1.115 530 F CA -0.474 57.467 58.000 -0.098 0.000 0.955 530 F CB 2.142 41.104 39.000 -0.063 0.000 1.136 530 F HN 0.649 nan 8.300 nan 0.000 0.452 531 T N 1.315 115.835 114.554 -0.057 0.000 2.957 531 T HA 0.237 4.591 4.350 0.006 0.000 0.336 531 T C -0.870 173.765 174.700 -0.109 0.000 1.462 531 T CA -0.666 61.322 62.100 -0.188 0.000 1.073 531 T CB 1.255 69.745 68.868 -0.630 0.000 1.319 531 T HN 0.588 nan 8.240 nan 0.000 0.485 532 D N 1.862 122.230 120.400 -0.054 0.000 2.395 532 D HA 0.154 4.798 4.640 0.006 0.000 0.213 532 D C 0.308 176.624 176.300 0.027 0.000 1.110 532 D CA -0.087 53.918 54.000 0.008 0.000 0.835 532 D CB 0.666 41.487 40.800 0.036 0.000 0.965 532 D HN 0.557 nan 8.370 nan 0.000 0.505 533 E N 1.255 121.441 120.200 -0.022 0.000 2.415 533 E HA 0.084 4.438 4.350 0.006 0.000 0.262 533 E C 0.169 176.845 176.600 0.126 0.000 1.038 533 E CA 0.429 56.865 56.400 0.061 0.000 0.921 533 E CB 0.708 30.468 29.700 0.101 0.000 0.950 533 E HN 0.003 nan 8.360 nan 0.000 0.438 534 N N 1.862 120.654 118.700 0.152 0.000 2.841 534 N HA 0.095 4.839 4.740 0.006 0.000 0.257 534 N C -0.295 175.268 175.510 0.089 0.000 1.396 534 N CA -0.048 53.120 53.050 0.195 0.000 0.823 534 N CB 1.450 40.050 38.487 0.188 0.000 1.162 534 N HN 0.333 nan 8.380 nan 0.000 0.503 535 T N -0.332 114.305 114.554 0.138 0.000 2.923 535 T HA 0.375 4.729 4.350 0.006 0.000 0.282 535 T C 1.734 176.381 174.700 -0.088 0.000 1.137 535 T CA -0.583 61.496 62.100 -0.036 0.000 0.958 535 T CB 0.614 69.509 68.868 0.045 0.000 1.961 535 T HN 0.271 nan 8.240 nan 0.000 0.586 536 I N -0.107 120.298 120.570 -0.275 0.000 2.185 536 I HA -0.193 3.981 4.170 0.006 0.000 0.246 536 I C 1.867 177.892 176.117 -0.154 0.000 1.088 536 I CA 1.982 63.100 61.300 -0.304 0.000 1.347 536 I CB -0.231 37.492 38.000 -0.463 0.000 1.041 536 I HN 0.680 nan 8.210 nan 0.000 0.415 537 F N 0.488 120.568 119.950 0.217 0.000 2.134 537 F HA -0.256 4.278 4.527 0.013 0.000 0.299 537 F C 2.610 178.564 175.800 0.256 0.000 1.097 537 F CA 1.056 59.184 58.000 0.214 0.000 1.264 537 F CB -0.731 38.389 39.000 0.200 0.000 1.001 537 F HN 0.099 nan 8.300 nan 0.000 0.479 538 Q N -0.572 119.493 119.800 0.442 0.000 2.083 538 Q HA -0.145 4.198 4.340 0.006 0.000 0.198 538 Q C 1.980 178.289 176.000 0.516 0.000 0.969 538 Q CA 1.384 57.462 55.803 0.460 0.000 0.838 538 Q CB -0.823 28.198 28.738 0.472 0.000 0.900 538 Q HN 0.418 nan 8.270 nan 0.000 0.436 539 Y N 0.222 120.644 120.300 0.203 0.000 2.181 539 Y HA -0.140 4.424 4.550 0.022 0.000 0.288 539 Y C 1.874 177.912 175.900 0.231 0.000 1.146 539 Y CA 0.927 59.103 58.100 0.128 0.000 1.164 539 Y CB -0.247 38.150 38.460 -0.104 0.000 0.982 539 Y HN 0.066 nan 8.280 nan 0.000 0.515 540 L N -1.943 119.504 121.223 0.373 0.000 2.093 540 L HA -0.250 4.093 4.340 0.006 0.000 0.208 540 L C 2.227 179.258 176.870 0.269 0.000 1.085 540 L CA 1.315 56.375 54.840 0.367 0.000 0.755 540 L CB -0.660 41.630 42.059 0.386 0.000 0.904 540 L HN 0.231 nan 8.230 nan 0.000 0.435 541 Y N 1.101 121.492 120.300 0.152 0.000 2.145 541 Y HA -0.299 4.254 4.550 0.004 0.000 0.286 541 Y C 2.910 178.802 175.900 -0.012 0.000 1.145 541 Y CA 1.458 59.586 58.100 0.047 0.000 1.148 541 Y CB -0.434 38.080 38.460 0.091 0.000 0.981 541 Y HN 0.256 nan 8.280 nan 0.000 0.507 542 S N -0.421 115.303 115.700 0.040 0.000 2.493 542 S HA -0.232 4.241 4.470 0.006 0.000 0.243 542 S C 1.385 175.964 174.600 -0.034 0.000 0.991 542 S CA 1.452 59.589 58.200 -0.105 0.000 0.957 542 S CB -0.548 62.590 63.200 -0.103 0.000 0.756 542 S HN 0.737 nan 8.310 nan 0.000 0.521 543 Q N 1.313 121.097 119.800 -0.027 0.000 2.280 543 Q HA 0.175 4.519 4.340 0.006 0.000 0.201 543 Q C 0.625 176.464 176.000 -0.268 0.000 0.890 543 Q CA 0.436 56.228 55.803 -0.020 0.000 0.947 543 Q CB 0.694 29.523 28.738 0.153 0.000 1.081 543 Q HN 0.827 nan 8.270 nan 0.000 0.502 544 T N -1.807 112.516 114.554 -0.385 0.000 2.870 544 T HA 0.719 5.073 4.350 0.006 0.000 0.277 544 T C -0.466 174.177 174.700 -0.096 0.000 1.000 544 T CA -0.846 61.010 62.100 -0.407 0.000 0.982 544 T CB 1.264 69.798 68.868 -0.556 0.000 1.249 544 T HN 0.148 nan 8.240 nan 0.000 0.589 545 F N -2.548 117.276 119.950 -0.209 0.000 2.665 545 F HA 0.731 5.261 4.527 0.005 0.000 0.308 545 F C -3.233 172.516 175.800 -0.086 0.000 1.112 545 F CA -2.386 55.526 58.000 -0.148 0.000 0.972 545 F CB -0.514 38.425 39.000 -0.102 0.000 1.295 545 F HN 0.472 nan 8.300 nan 0.000 0.440 546 P HA 0.202 nan 4.420 nan 0.000 0.269 546 P C 0.638 177.990 177.300 0.087 0.000 1.211 546 P CA -0.295 62.837 63.100 0.055 0.000 0.781 546 P CB 0.841 32.582 31.700 0.069 0.000 0.877 547 L N 0.954 122.194 121.223 0.029 0.000 2.217 547 L HA -0.115 4.229 4.340 0.006 0.000 0.211 547 L C 1.338 178.261 176.870 0.089 0.000 1.107 547 L CA 1.405 56.272 54.840 0.044 0.000 0.783 547 L CB -0.634 41.434 42.059 0.014 0.000 0.919 547 L HN 0.491 nan 8.230 nan 0.000 0.442 548 D N -1.099 119.346 120.400 0.075 0.000 2.324 548 D HA -0.006 4.637 4.640 0.006 0.000 0.235 548 D C 0.348 176.693 176.300 0.074 0.000 1.095 548 D CA 0.298 54.337 54.000 0.066 0.000 0.871 548 D CB 0.151 40.977 40.800 0.044 0.000 0.906 548 D HN -0.021 nan 8.370 nan 0.000 0.522 549 I N 1.462 122.101 120.570 0.114 0.000 2.406 549 I HA 0.277 4.451 4.170 0.006 0.000 0.290 549 I C 1.098 177.259 176.117 0.073 0.000 0.999 549 I CA -0.712 60.633 61.300 0.074 0.000 1.124 549 I CB 1.821 39.865 38.000 0.073 0.000 1.289 549 I HN 0.146 nan 8.210 nan 0.000 0.441 550 R N 2.506 122.997 120.500 -0.015 0.000 2.394 550 R HA 0.232 4.576 4.340 0.006 0.000 0.220 550 R C -0.301 175.830 176.300 -0.282 0.000 0.887 550 R CA -0.227 55.861 56.100 -0.019 0.000 1.034 550 R CB 0.445 30.820 30.300 0.125 0.000 1.179 550 R HN 0.398 nan 8.270 nan 0.000 0.561 551 D N 2.351 122.457 120.400 -0.490 0.000 2.373 551 D HA 0.308 4.952 4.640 0.006 0.000 0.227 551 D C -0.173 175.799 176.300 -0.546 0.000 1.091 551 D CA -0.702 52.749 54.000 -0.915 0.000 0.840 551 D CB 0.970 41.138 40.800 -1.052 0.000 1.060 551 D HN 0.407 nan 8.370 nan 0.000 0.502 552 I N -0.074 120.196 120.570 -0.501 0.000 3.145 552 I HA 0.778 4.951 4.170 0.006 0.000 0.313 552 I C -1.059 174.898 176.117 -0.267 0.000 1.122 552 I CA -0.957 60.113 61.300 -0.383 0.000 0.987 552 I CB 2.329 40.017 38.000 -0.519 0.000 1.236 552 I HN 0.316 nan 8.210 nan 0.000 0.453 553 S N 2.880 118.459 115.700 -0.202 0.000 2.540 553 S HA 0.653 5.126 4.470 0.006 0.000 0.275 553 S C -0.774 173.762 174.600 -0.107 0.000 1.123 553 S CA -0.917 57.201 58.200 -0.136 0.000 0.907 553 S CB 1.621 64.743 63.200 -0.129 0.000 1.081 553 S HN 0.679 nan 8.310 nan 0.000 0.476 554 L N 1.808 122.984 121.223 -0.079 0.000 2.453 554 L HA 0.690 5.034 4.340 0.006 0.000 0.261 554 L C 0.575 177.416 176.870 -0.048 0.000 1.179 554 L CA -0.146 54.658 54.840 -0.060 0.000 0.813 554 L CB 1.404 43.428 42.059 -0.058 0.000 1.110 554 L HN 0.897 nan 8.230 nan 0.000 0.466 555 T N -1.091 113.446 114.554 -0.029 0.000 2.932 555 T HA 0.221 4.575 4.350 0.006 0.000 0.318 555 T C 0.362 175.075 174.700 0.021 0.000 1.265 555 T CA -0.205 61.899 62.100 0.006 0.000 1.036 555 T CB 1.517 70.403 68.868 0.030 0.000 1.209 555 T HN 0.680 nan 8.240 nan 0.000 0.484 556 S N 1.694 117.428 115.700 0.056 0.000 2.575 556 S HA 0.201 4.675 4.470 0.006 0.000 0.215 556 S C 0.954 175.733 174.600 0.298 0.000 0.966 556 S CA -0.026 58.227 58.200 0.088 0.000 0.911 556 S CB 0.134 63.387 63.200 0.090 0.000 0.780 556 S HN 0.596 nan 8.310 nan 0.000 0.514 557 S N 1.377 117.231 115.700 0.256 0.000 2.409 557 S HA 0.335 4.809 4.470 0.006 0.000 0.308 557 S C 0.468 175.235 174.600 0.278 0.000 1.080 557 S CA -0.919 57.435 58.200 0.257 0.000 1.081 557 S CB -0.449 62.839 63.200 0.146 0.000 1.009 557 S HN 0.409 nan 8.310 nan 0.000 0.502 558 F N 5.149 125.159 119.950 0.100 0.000 2.095 558 F HA -0.135 4.404 4.527 0.019 0.000 0.298 558 F C 1.727 177.439 175.800 -0.147 0.000 1.104 558 F CA 2.029 59.854 58.000 -0.292 0.000 1.232 558 F CB -0.245 38.341 39.000 -0.691 0.000 0.987 558 F HN 0.608 nan 8.300 nan 0.000 0.475 559 D N 0.239 120.509 120.400 -0.216 0.000 2.144 559 D HA -0.183 4.460 4.640 0.006 0.000 0.199 559 D C 1.735 177.927 176.300 -0.179 0.000 0.984 559 D CA 1.604 55.445 54.000 -0.265 0.000 0.834 559 D CB -0.395 40.411 40.800 0.009 0.000 0.955 559 D HN 0.404 nan 8.370 nan 0.000 0.465 560 D N 0.799 121.188 120.400 -0.019 0.000 2.123 560 D HA -0.044 4.600 4.640 0.006 0.000 0.200 560 D C 2.147 178.519 176.300 0.121 0.000 0.976 560 D CA 0.879 54.969 54.000 0.150 0.000 0.831 560 D CB -0.281 40.624 40.800 0.174 0.000 0.974 560 D HN 0.072 nan 8.370 nan 0.000 0.469 561 A N 0.969 123.780 122.820 -0.015 0.000 1.948 561 A HA -0.168 4.155 4.320 0.006 0.000 0.220 561 A C 2.347 179.840 177.584 -0.152 0.000 1.177 561 A CA 1.065 53.075 52.037 -0.046 0.000 0.636 561 A CB -0.820 18.165 19.000 -0.025 0.000 0.815 561 A HN 0.236 nan 8.150 nan 0.000 0.449 562 L N -1.520 119.511 121.223 -0.320 0.000 2.217 562 L HA -0.092 4.252 4.340 0.006 0.000 0.211 562 L C 2.452 179.200 176.870 -0.204 0.000 1.107 562 L CA 0.584 55.245 54.840 -0.297 0.000 0.783 562 L CB -0.292 41.504 42.059 -0.438 0.000 0.919 562 L HN 0.407 nan 8.230 nan 0.000 0.442 563 L N -0.959 120.134 121.223 -0.217 0.000 2.127 563 L HA 0.068 4.412 4.340 0.006 0.000 0.203 563 L C 0.144 176.674 176.870 -0.566 0.000 1.080 563 L CA 1.336 55.931 54.840 -0.408 0.000 0.768 563 L CB 0.034 41.784 42.059 -0.514 0.000 0.924 563 L HN -0.130 nan 8.230 nan 0.000 0.444 564 F N -1.109 118.789 119.950 -0.088 0.000 2.458 564 F HA 0.275 4.805 4.527 0.005 0.000 0.336 564 F C 1.602 177.352 175.800 -0.084 0.000 1.114 564 F CA -0.189 57.766 58.000 -0.074 0.000 0.987 564 F CB 1.148 40.106 39.000 -0.070 0.000 1.130 564 F HN -0.085 nan 8.300 nan 0.000 0.458 565 S N 0.754 116.503 115.700 0.082 0.000 2.442 565 S HA -0.202 4.272 4.470 0.006 0.000 0.236 565 S C 1.266 175.874 174.600 0.013 0.000 1.007 565 S CA 1.295 59.511 58.200 0.028 0.000 0.965 565 S CB -0.499 62.715 63.200 0.022 0.000 0.773 565 S HN 0.766 nan 8.310 nan 0.000 0.504 566 N N 0.837 119.547 118.700 0.017 0.000 2.398 566 N HA 0.057 4.801 4.740 0.006 0.000 0.188 566 N C -0.318 175.131 175.510 -0.102 0.000 1.122 566 N CA 0.045 53.047 53.050 -0.081 0.000 0.866 566 N CB -0.000 38.429 38.487 -0.096 0.000 0.970 566 N HN 0.219 nan 8.380 nan 0.000 0.462 567 K N 1.183 121.566 120.400 -0.028 0.000 2.244 567 K HA 0.428 4.752 4.320 0.006 0.000 0.260 567 K C -0.938 175.648 176.600 -0.024 0.000 0.951 567 K CA -0.728 55.540 56.287 -0.033 0.000 0.826 567 K CB 2.867 35.383 32.500 0.027 0.000 1.108 567 K HN -0.167 nan 8.250 nan 0.000 0.433 568 V N 3.695 123.592 119.914 -0.029 0.000 2.487 568 V HA 0.197 4.321 4.120 0.006 0.000 0.298 568 V C -0.600 175.530 176.094 0.060 0.000 1.028 568 V CA -1.142 61.166 62.300 0.013 0.000 0.860 568 V CB 1.357 33.183 31.823 0.005 0.000 0.991 568 V HN 0.636 nan 8.190 nan 0.000 0.427 569 Y N 3.491 123.776 120.300 -0.025 0.000 2.497 569 Y HA 0.450 5.003 4.550 0.004 0.000 0.334 569 Y C 0.551 176.465 175.900 0.024 0.000 1.199 569 Y CA 0.676 58.786 58.100 0.017 0.000 1.425 569 Y CB 1.119 39.607 38.460 0.047 0.000 1.291 569 Y HN 0.672 nan 8.280 nan 0.000 0.562 570 S N 5.923 121.162 115.700 -0.768 0.000 2.547 570 S HA 0.388 4.862 4.470 0.006 0.000 0.281 570 S C -0.310 173.755 174.600 -0.891 0.000 1.118 570 S CA -0.789 56.972 58.200 -0.731 0.000 0.947 570 S CB 0.089 63.077 63.200 -0.354 0.000 1.053 570 S HN 0.645 nan 8.310 nan 0.000 0.482 571 F N 2.483 122.029 119.950 -0.674 0.000 2.693 571 F HA 0.542 5.076 4.527 0.012 0.000 0.303 571 F C 0.107 175.835 175.800 -0.120 0.000 1.097 571 F CA -0.991 56.798 58.000 -0.351 0.000 1.330 571 F CB -0.382 38.528 39.000 -0.150 0.000 1.067 571 F HN 0.328 nan 8.300 nan 0.000 0.565 572 F N 1.317 120.969 119.950 -0.497 0.000 2.368 572 F HA 0.300 4.830 4.527 0.004 0.000 0.308 572 F C 1.529 177.260 175.800 -0.115 0.000 1.198 572 F CA -1.133 56.621 58.000 -0.409 0.000 1.130 572 F CB 0.676 39.230 39.000 -0.743 0.000 1.300 572 F HN 0.005 nan 8.300 nan 0.000 0.537 573 S N 1.228 117.005 115.700 0.129 0.000 2.560 573 S HA -0.119 4.355 4.470 0.006 0.000 0.276 573 S C 0.868 175.555 174.600 0.145 0.000 1.350 573 S CA -0.596 57.672 58.200 0.113 0.000 1.024 573 S CB 0.629 63.862 63.200 0.056 0.000 0.864 573 S HN 0.857 nan 8.310 nan 0.000 0.536 574 M N 0.482 120.142 119.600 0.100 0.000 2.175 574 M HA -0.114 4.370 4.480 0.006 0.000 0.264 574 M C 1.641 177.983 176.300 0.070 0.000 1.063 574 M CA 2.367 57.715 55.300 0.079 0.000 1.119 574 M CB -0.591 32.048 32.600 0.064 0.000 1.377 574 M HN 0.976 nan 8.290 nan 0.000 0.415 575 D N -0.783 119.661 120.400 0.072 0.000 2.144 575 D HA -0.230 4.414 4.640 0.006 0.000 0.200 575 D C 1.819 178.157 176.300 0.064 0.000 0.978 575 D CA 1.249 55.283 54.000 0.057 0.000 0.833 575 D CB -0.281 40.548 40.800 0.047 0.000 0.961 575 D HN 0.527 nan 8.370 nan 0.000 0.470 576 Y N 0.803 121.097 120.300 -0.010 0.000 2.181 576 Y HA -0.090 4.464 4.550 0.007 0.000 0.288 576 Y C 1.826 177.743 175.900 0.028 0.000 1.146 576 Y CA 1.485 59.579 58.100 -0.010 0.000 1.164 576 Y CB -0.264 38.173 38.460 -0.038 0.000 0.982 576 Y HN 0.045 nan 8.280 nan 0.000 0.515 577 I N 0.026 120.556 120.570 -0.067 0.000 2.493 577 I HA -0.246 3.928 4.170 0.006 0.000 0.254 577 I C 2.246 178.296 176.117 -0.111 0.000 1.160 577 I CA 1.284 62.504 61.300 -0.132 0.000 1.445 577 I CB -0.309 37.694 38.000 0.005 0.000 1.086 577 I HN 0.181 nan 8.210 nan 0.000 0.433 578 K N 0.170 120.538 120.400 -0.053 0.000 2.076 578 K HA -0.059 4.265 4.320 0.006 0.000 0.204 578 K C 2.103 178.706 176.600 0.006 0.000 1.051 578 K CA 1.535 57.811 56.287 -0.018 0.000 0.949 578 K CB -0.135 32.369 32.500 0.006 0.000 0.726 578 K HN 0.221 nan 8.250 nan 0.000 0.443 579 T N 1.236 115.791 114.554 0.001 0.000 2.746 579 T HA -0.138 4.216 4.350 0.006 0.000 0.267 579 T C 1.973 176.812 174.700 0.231 0.000 1.039 579 T CA 1.325 63.492 62.100 0.111 0.000 1.142 579 T CB -0.232 68.653 68.868 0.029 0.000 0.866 579 T HN 0.284 nan 8.240 nan 0.000 0.444 580 A N 2.351 125.144 122.820 -0.046 0.000 1.978 580 A HA -0.122 4.202 4.320 0.006 0.000 0.220 580 A C 2.074 179.782 177.584 0.207 0.000 1.170 580 A CA 1.287 53.336 52.037 0.021 0.000 0.636 580 A CB -0.402 18.403 19.000 -0.325 0.000 0.810 580 A HN 0.410 nan 8.150 nan 0.000 0.448 581 N N -0.486 118.257 118.700 0.073 0.000 2.336 581 N HA 0.022 4.766 4.740 0.006 0.000 0.189 581 N C 0.306 175.811 175.510 -0.009 0.000 1.113 581 N CA 0.195 53.259 53.050 0.022 0.000 0.858 581 N CB 0.109 38.580 38.487 -0.028 0.000 0.970 581 N HN 0.547 nan 8.380 nan 0.000 0.471 582 K N 1.350 121.768 120.400 0.029 0.000 2.298 582 K HA 0.216 4.540 4.320 0.006 0.000 0.280 582 K C -0.616 175.767 176.600 -0.363 0.000 1.032 582 K CA -0.090 56.139 56.287 -0.096 0.000 0.958 582 K CB 0.865 33.379 32.500 0.023 0.000 0.978 582 K HN -0.280 nan 8.250 nan 0.000 0.472 583 V N 5.329 125.083 119.914 -0.266 0.000 2.483 583 V HA 0.429 4.553 4.120 0.006 0.000 0.295 583 V C -0.181 175.786 176.094 -0.212 0.000 1.035 583 V CA -0.679 61.452 62.300 -0.282 0.000 0.896 583 V CB 1.341 33.065 31.823 -0.165 0.000 0.986 583 V HN 0.697 nan 8.190 nan 0.000 0.447 584 V N 0.806 120.621 119.914 -0.165 0.000 3.160 584 V HA 0.728 4.852 4.120 0.006 0.000 0.310 584 V C -0.465 175.686 176.094 0.094 0.000 1.181 584 V CA -0.961 61.322 62.300 -0.029 0.000 1.047 584 V CB 2.141 33.959 31.823 -0.009 0.000 1.068 584 V HN 0.653 nan 8.190 nan 0.000 0.441 585 E N 0.763 121.009 120.200 0.077 0.000 2.404 585 E HA 0.397 4.751 4.350 0.006 0.000 0.261 585 E C 1.341 177.963 176.600 0.036 0.000 1.074 585 E CA 0.588 57.031 56.400 0.070 0.000 0.917 585 E CB 1.503 31.218 29.700 0.024 0.000 0.965 585 E HN 1.005 nan 8.360 nan 0.000 0.433 586 A N 2.967 125.692 122.820 -0.159 0.000 1.948 586 A HA -0.185 4.139 4.320 0.006 0.000 0.220 586 A C 1.974 179.441 177.584 -0.195 0.000 1.177 586 A CA 2.172 53.863 52.037 -0.576 0.000 0.636 586 A CB -0.804 17.774 19.000 -0.705 0.000 0.815 586 A HN 0.657 nan 8.150 nan 0.000 0.449 587 G N -1.105 107.645 108.800 -0.084 0.000 2.509 587 G HA2 0.075 4.039 3.960 0.006 0.000 0.218 587 G HA3 0.075 4.039 3.960 0.006 0.000 0.218 587 G C 1.203 176.126 174.900 0.040 0.000 1.124 587 G CA 0.896 45.985 45.100 -0.018 0.000 0.776 587 G HN 0.471 nan 8.290 nan 0.000 0.547 588 L N -1.164 120.108 121.223 0.081 0.000 2.766 588 L HA 0.373 4.716 4.340 0.006 0.000 0.242 588 L C 1.891 178.893 176.870 0.221 0.000 1.136 588 L CA -0.473 54.440 54.840 0.121 0.000 0.933 588 L CB 0.084 42.203 42.059 0.100 0.000 1.241 588 L HN 0.084 nan 8.230 nan 0.000 0.522 589 F N 1.966 121.965 119.950 0.083 0.000 2.075 589 F HA -0.230 4.301 4.527 0.006 0.000 0.297 589 F C 2.468 178.410 175.800 0.235 0.000 1.113 589 F CA 1.619 59.741 58.000 0.204 0.000 1.218 589 F CB -0.192 38.919 39.000 0.185 0.000 0.984 589 F HN 0.062 nan 8.300 nan 0.000 0.472 590 A N 0.212 123.116 122.820 0.140 0.000 1.917 590 A HA -0.154 4.170 4.320 0.006 0.000 0.219 590 A C 2.509 180.055 177.584 -0.064 0.000 1.182 590 A CA 1.980 54.005 52.037 -0.021 0.000 0.633 590 A CB -1.840 17.179 19.000 0.032 0.000 0.819 590 A HN 0.536 nan 8.150 nan 0.000 0.448 591 G N -1.770 107.041 108.800 0.018 0.000 2.421 591 G HA2 -0.274 3.690 3.960 0.006 0.000 0.216 591 G HA3 -0.274 3.690 3.960 0.006 0.000 0.216 591 G C 1.387 176.293 174.900 0.010 0.000 1.171 591 G CA 1.094 46.202 45.100 0.013 0.000 0.775 591 G HN 0.727 nan 8.290 nan 0.000 0.543 592 W N 1.162 122.382 121.300 -0.133 0.000 2.335 592 W HA -0.120 4.544 4.660 0.006 0.000 0.311 592 W C 2.434 178.817 176.519 -0.226 0.000 1.213 592 W CA 1.867 59.124 57.345 -0.145 0.000 1.274 592 W CB -0.479 28.916 29.460 -0.108 0.000 1.148 592 W HN 0.038 nan 8.180 nan 0.000 0.498 593 V N 1.606 121.270 119.914 -0.418 0.000 2.287 593 V HA -0.367 3.757 4.120 0.006 0.000 0.248 593 V C 2.555 178.351 176.094 -0.497 0.000 1.053 593 V CA 2.511 64.412 62.300 -0.666 0.000 1.027 593 V CB -1.095 30.378 31.823 -0.584 0.000 0.646 593 V HN 0.261 nan 8.190 nan 0.000 0.447 594 K N -0.459 119.748 120.400 -0.321 0.000 2.209 594 K HA -0.251 4.073 4.320 0.006 0.000 0.204 594 K C 2.185 178.654 176.600 -0.219 0.000 1.048 594 K CA 1.775 57.925 56.287 -0.228 0.000 0.940 594 K CB -0.009 32.402 32.500 -0.148 0.000 0.729 594 K HN 0.598 nan 8.250 nan 0.000 0.451 595 Q N 0.308 119.947 119.800 -0.268 0.000 2.036 595 Q HA -0.106 4.238 4.340 0.006 0.000 0.195 595 Q C 2.061 177.899 176.000 -0.271 0.000 0.971 595 Q CA 0.995 56.663 55.803 -0.225 0.000 0.826 595 Q CB -0.055 28.573 28.738 -0.182 0.000 0.896 595 Q HN 0.291 nan 8.270 nan 0.000 0.449 596 I N 0.297 120.566 120.570 -0.502 0.000 2.493 596 I HA -0.179 3.995 4.170 0.006 0.000 0.254 596 I C 1.841 177.846 176.117 -0.186 0.000 1.160 596 I CA 0.835 61.881 61.300 -0.424 0.000 1.445 596 I CB -0.053 37.445 38.000 -0.837 0.000 1.086 596 I HN 0.082 nan 8.210 nan 0.000 0.433 597 V N 0.783 120.544 119.914 -0.254 0.000 2.307 597 V HA -0.270 3.853 4.120 0.006 0.000 0.245 597 V C 2.308 178.392 176.094 -0.018 0.000 1.045 597 V CA 2.123 64.346 62.300 -0.129 0.000 1.024 597 V CB -1.027 30.675 31.823 -0.201 0.000 0.651 597 V HN 0.559 nan 8.190 nan 0.000 0.449 598 N N 0.506 119.162 118.700 -0.073 0.000 2.104 598 N HA -0.213 4.531 4.740 0.006 0.000 0.190 598 N C 1.449 176.942 175.510 -0.027 0.000 1.024 598 N CA 1.947 54.969 53.050 -0.047 0.000 0.853 598 N CB -0.221 38.224 38.487 -0.071 0.000 1.008 598 N HN 0.439 nan 8.380 nan 0.000 0.424 599 D N -0.501 119.893 120.400 -0.010 0.000 2.117 599 D HA -0.159 4.484 4.640 0.006 0.000 0.197 599 D C 1.550 177.808 176.300 -0.070 0.000 0.987 599 D CA 0.706 54.709 54.000 0.006 0.000 0.829 599 D CB -0.580 40.293 40.800 0.121 0.000 0.961 599 D HN 0.356 nan 8.370 nan 0.000 0.460 600 F N 1.354 121.247 119.950 -0.096 0.000 2.120 600 F HA -0.257 4.275 4.527 0.008 0.000 0.300 600 F C 2.164 177.762 175.800 -0.336 0.000 1.095 600 F CA 1.183 59.022 58.000 -0.269 0.000 1.249 600 F CB -0.119 38.865 39.000 -0.027 0.000 0.995 600 F HN -0.194 nan 8.300 nan 0.000 0.480 601 V N 0.784 120.711 119.914 0.021 0.000 2.358 601 V HA -0.308 3.816 4.120 0.006 0.000 0.246 601 V C 2.393 178.366 176.094 -0.202 0.000 1.047 601 V CA 2.041 64.319 62.300 -0.037 0.000 1.035 601 V CB -0.605 31.239 31.823 0.035 0.000 0.658 601 V HN 0.382 nan 8.190 nan 0.000 0.452 602 I N -0.386 120.058 120.570 -0.210 0.000 2.226 602 I HA -0.185 3.989 4.170 0.006 0.000 0.245 602 I C 2.708 178.616 176.117 -0.349 0.000 1.100 602 I CA 1.339 62.510 61.300 -0.216 0.000 1.374 602 I CB -0.418 37.484 38.000 -0.163 0.000 1.057 602 I HN 0.330 nan 8.210 nan 0.000 0.413 603 E N 1.064 120.892 120.200 -0.619 0.000 2.031 603 E HA -0.212 4.142 4.350 0.006 0.000 0.193 603 E C 2.366 178.428 176.600 -0.896 0.000 0.994 603 E CA 1.549 57.370 56.400 -0.965 0.000 0.800 603 E CB -0.363 28.209 29.700 -1.880 0.000 0.752 603 E HN 0.483 nan 8.360 nan 0.000 0.447 604 A N 1.719 123.950 122.820 -0.981 0.000 1.940 604 A HA -0.211 4.113 4.320 0.006 0.000 0.219 604 A C 1.807 179.340 177.584 -0.084 0.000 1.176 604 A CA 1.698 53.453 52.037 -0.471 0.000 0.631 604 A CB -0.887 17.871 19.000 -0.404 0.000 0.814 604 A HN 0.308 nan 8.150 nan 0.000 0.446 605 N N -0.712 117.904 118.700 -0.140 0.000 2.571 605 N HA -0.038 4.705 4.740 0.006 0.000 0.189 605 N C 0.908 176.395 175.510 -0.038 0.000 1.154 605 N CA 0.257 53.274 53.050 -0.056 0.000 0.907 605 N CB -0.044 38.401 38.487 -0.070 0.000 0.977 605 N HN 0.472 nan 8.380 nan 0.000 0.449 606 K N 0.706 121.099 120.400 -0.011 0.000 2.589 606 K HA -0.002 4.321 4.320 0.006 0.000 0.192 606 K C 1.532 178.089 176.600 -0.071 0.000 1.029 606 K CA 0.396 56.676 56.287 -0.012 0.000 1.031 606 K CB 0.120 32.641 32.500 0.035 0.000 0.821 606 K HN 0.199 nan 8.250 nan 0.000 0.502 607 S N 0.766 116.427 115.700 -0.065 0.000 2.561 607 S HA -0.074 4.400 4.470 0.006 0.000 0.225 607 S C 0.934 175.430 174.600 -0.173 0.000 0.977 607 S CA 0.535 58.605 58.200 -0.218 0.000 0.926 607 S CB -0.312 62.829 63.200 -0.100 0.000 0.769 607 S HN 0.365 nan 8.310 nan 0.000 0.533 608 N N 0.560 119.195 118.700 -0.110 0.000 2.321 608 N HA 0.140 4.884 4.740 0.006 0.000 0.242 608 N C -0.589 174.862 175.510 -0.098 0.000 1.141 608 N CA -0.285 52.713 53.050 -0.087 0.000 0.864 608 N CB -0.367 38.089 38.487 -0.052 0.000 1.100 608 N HN 0.002 nan 8.380 nan 0.000 0.510 609 T N 1.380 115.855 114.554 -0.133 0.000 2.916 609 T HA 0.185 4.538 4.350 0.006 0.000 0.303 609 T C 0.378 175.013 174.700 -0.108 0.000 1.025 609 T CA 0.132 62.162 62.100 -0.117 0.000 1.142 609 T CB 0.463 69.255 68.868 -0.128 0.000 0.947 609 T HN 0.197 nan 8.240 nan 0.000 0.544 610 M N 2.292 121.841 119.600 -0.085 0.000 2.573 610 M HA 0.400 4.884 4.480 0.006 0.000 0.309 610 M C 0.065 176.329 176.300 -0.060 0.000 1.202 610 M CA -0.533 54.725 55.300 -0.070 0.000 0.975 610 M CB 1.251 33.807 32.600 -0.073 0.000 1.600 610 M HN 0.452 nan 8.290 nan 0.000 0.479 611 D N -0.028 120.348 120.400 -0.041 0.000 3.216 611 D HA 0.148 4.792 4.640 0.006 0.000 0.348 611 D C 0.536 176.820 176.300 -0.027 0.000 1.407 611 D CA 0.018 54.003 54.000 -0.026 0.000 0.744 611 D CB 0.412 41.213 40.800 0.002 0.000 1.264 611 D HN 0.301 nan 8.370 nan 0.000 0.543 612 K N 0.266 120.637 120.400 -0.048 0.000 2.089 612 K HA -0.153 4.171 4.320 0.006 0.000 0.210 612 K C 1.808 178.367 176.600 -0.068 0.000 1.048 612 K CA 0.761 57.016 56.287 -0.053 0.000 0.926 612 K CB -0.161 32.297 32.500 -0.071 0.000 0.714 612 K HN 0.362 nan 8.250 nan 0.000 0.448 613 I N 0.970 121.494 120.570 -0.076 0.000 2.423 613 I HA -0.204 3.970 4.170 0.006 0.000 0.254 613 I C 1.439 177.471 176.117 -0.142 0.000 1.151 613 I CA 1.231 62.464 61.300 -0.112 0.000 1.421 613 I CB -0.249 37.715 38.000 -0.060 0.000 1.079 613 I HN 0.092 nan 8.210 nan 0.000 0.431 614 A N -0.739 122.038 122.820 -0.072 0.000 2.460 614 A HA 0.194 4.518 4.320 0.006 0.000 0.258 614 A C 0.566 178.125 177.584 -0.041 0.000 1.300 614 A CA 0.231 52.238 52.037 -0.050 0.000 0.913 614 A CB -0.415 18.585 19.000 0.001 0.000 1.031 614 A HN 0.481 nan 8.150 nan 0.000 0.512 615 D N -0.541 119.827 120.400 -0.052 0.000 2.772 615 D HA -0.154 4.490 4.640 0.006 0.000 0.233 615 D C -0.425 175.875 176.300 -0.000 0.000 1.143 615 D CA 1.122 55.103 54.000 -0.031 0.000 0.700 615 D CB -1.113 39.656 40.800 -0.051 0.000 1.076 615 D HN 0.560 nan 8.370 nan 0.000 0.430 616 I N 0.450 121.034 120.570 0.025 0.000 2.468 616 I HA 0.063 4.237 4.170 0.006 0.000 0.284 616 I C 1.231 177.378 176.117 0.051 0.000 1.038 616 I CA -0.433 60.916 61.300 0.080 0.000 1.083 616 I CB 1.906 40.006 38.000 0.166 0.000 1.223 616 I HN -0.269 nan 8.210 nan 0.000 0.443 617 S N 4.902 120.630 115.700 0.046 0.000 2.436 617 S HA 0.102 4.576 4.470 0.006 0.000 0.228 617 S C 0.189 174.801 174.600 0.020 0.000 1.014 617 S CA 0.632 58.843 58.200 0.019 0.000 0.950 617 S CB 0.016 63.222 63.200 0.010 0.000 0.784 617 S HN 0.452 nan 8.310 nan 0.000 0.504 618 L N 0.752 122.013 121.223 0.063 0.000 2.470 618 L HA 0.726 5.070 4.340 0.006 0.000 0.268 618 L C -1.516 175.341 176.870 -0.021 0.000 0.964 618 L CA -0.584 54.273 54.840 0.029 0.000 0.839 618 L CB 1.886 44.001 42.059 0.092 0.000 1.276 618 L HN 0.057 nan 8.230 nan 0.000 0.403 619 I N 4.761 125.158 120.570 -0.287 0.000 2.607 619 I HA 0.565 4.739 4.170 0.006 0.000 0.290 619 I C -1.420 174.243 176.117 -0.757 0.000 1.129 619 I CA -0.360 60.546 61.300 -0.657 0.000 1.042 619 I CB 2.351 40.157 38.000 -0.324 0.000 1.242 619 I HN 0.285 nan 8.210 nan 0.000 0.421 620 V N 10.819 130.011 119.914 -1.203 0.000 2.270 620 V HA 0.326 4.450 4.120 0.006 0.000 0.263 620 V C -1.364 174.341 176.094 -0.648 0.000 1.066 620 V CA -1.014 60.746 62.300 -0.900 0.000 0.857 620 V CB 0.583 31.834 31.823 -0.952 0.000 1.099 620 V HN 0.717 nan 8.190 nan 0.000 0.476 621 P HA -0.210 nan 4.420 nan 0.000 0.217 621 P C 1.064 178.316 177.300 -0.080 0.000 1.148 621 P CA 1.740 64.791 63.100 -0.082 0.000 0.834 621 P CB 0.041 31.732 31.700 -0.014 0.000 0.783 622 Y N -2.535 117.711 120.300 -0.089 0.000 2.466 622 Y HA 0.295 4.849 4.550 0.006 0.000 0.272 622 Y C 2.192 177.889 175.900 -0.337 0.000 1.169 622 Y CA -0.893 57.160 58.100 -0.077 0.000 1.285 622 Y CB -1.675 36.914 38.460 0.215 0.000 1.078 622 Y HN -0.194 nan 8.280 nan 0.000 0.523 623 I N 1.262 121.519 120.570 -0.522 0.000 2.208 623 I HA -0.265 3.909 4.170 0.006 0.000 0.245 623 I C 2.662 178.436 176.117 -0.572 0.000 1.097 623 I CA 1.744 62.726 61.300 -0.530 0.000 1.363 623 I CB -0.754 36.917 38.000 -0.547 0.000 1.051 623 I HN 0.521 nan 8.210 nan 0.000 0.413 624 G N 0.958 109.235 108.800 -0.872 0.000 2.421 624 G HA2 -0.211 3.753 3.960 0.006 0.000 0.216 624 G HA3 -0.211 3.753 3.960 0.006 0.000 0.216 624 G C 1.713 176.481 174.900 -0.219 0.000 1.171 624 G CA 0.487 45.273 45.100 -0.523 0.000 0.775 624 G HN 0.274 nan 8.290 nan 0.000 0.543 625 L N 0.600 121.785 121.223 -0.064 0.000 2.093 625 L HA -0.010 4.334 4.340 0.006 0.000 0.208 625 L C 3.385 180.411 176.870 0.260 0.000 1.085 625 L CA 0.855 55.812 54.840 0.195 0.000 0.755 625 L CB -0.290 41.957 42.059 0.314 0.000 0.904 625 L HN 0.320 nan 8.230 nan 0.000 0.435 626 A N -0.137 122.583 122.820 -0.167 0.000 1.898 626 A HA -0.094 4.230 4.320 0.006 0.000 0.216 626 A C 1.988 179.536 177.584 -0.061 0.000 1.181 626 A CA 1.566 53.296 52.037 -0.512 0.000 0.620 626 A CB -0.236 17.987 19.000 -1.295 0.000 0.819 626 A HN 0.452 nan 8.150 nan 0.000 0.442 627 L N -3.085 118.040 121.223 -0.164 0.000 2.948 627 L HA 0.246 4.590 4.340 0.006 0.000 0.259 627 L C 0.662 177.242 176.870 -0.484 0.000 1.136 627 L CA 0.307 55.040 54.840 -0.178 0.000 0.959 627 L CB -0.008 41.949 42.059 -0.169 0.000 1.370 627 L HN 0.368 nan 8.230 nan 0.000 0.552 628 N N 1.215 119.543 118.700 -0.621 0.000 2.716 628 N HA -0.202 4.542 4.740 0.006 0.000 0.250 628 N C -0.435 174.796 175.510 -0.465 0.000 1.033 628 N CA 0.503 53.115 53.050 -0.730 0.000 0.727 628 N CB -0.838 36.723 38.487 -1.543 0.000 0.950 628 N HN 0.186 nan 8.380 nan 0.000 0.541 629 V N -0.083 119.649 119.914 -0.304 0.000 2.785 629 V HA 0.721 4.844 4.120 0.006 0.000 0.300 629 V C 1.537 177.521 176.094 -0.184 0.000 1.062 629 V CA 1.032 63.197 62.300 -0.225 0.000 1.029 629 V CB 0.892 32.636 31.823 -0.132 0.000 1.024 629 V HN 0.924 nan 8.190 nan 0.000 0.477 630 G N 5.064 113.716 108.800 -0.247 0.000 2.509 630 G HA2 -0.287 3.677 3.960 0.006 0.000 0.259 630 G HA3 -0.287 3.677 3.960 0.006 0.000 0.259 630 G C 0.160 174.970 174.900 -0.150 0.000 1.169 630 G CA 0.388 45.360 45.100 -0.213 0.000 0.953 630 G HN 1.133 nan 8.290 nan 0.000 0.563 631 N N 2.788 121.443 118.700 -0.074 0.000 2.968 631 N HA 0.289 5.033 4.740 0.006 0.000 0.271 631 N C 0.551 176.050 175.510 -0.019 0.000 1.174 631 N CA 0.665 53.688 53.050 -0.044 0.000 1.096 631 N CB -0.601 37.873 38.487 -0.022 0.000 1.403 631 N HN 0.520 nan 8.380 nan 0.000 0.522 632 E N -0.076 120.092 120.200 -0.053 0.000 2.294 632 E HA -0.231 4.123 4.350 0.006 0.000 0.228 632 E C 0.327 176.918 176.600 -0.015 0.000 1.253 632 E CA 0.995 57.363 56.400 -0.053 0.000 0.716 632 E CB -1.714 27.976 29.700 -0.016 0.000 1.184 632 E HN 0.748 nan 8.360 nan 0.000 0.374 633 T N -3.685 110.865 114.554 -0.006 0.000 3.139 633 T HA 0.110 4.464 4.350 0.006 0.000 0.267 633 T C 1.581 176.318 174.700 0.063 0.000 1.164 633 T CA 0.863 63.033 62.100 0.116 0.000 1.075 633 T CB 0.145 69.114 68.868 0.168 0.000 0.904 633 T HN 0.340 nan 8.240 nan 0.000 0.540 634 A N 0.773 123.562 122.820 -0.052 0.000 2.147 634 A HA 0.300 4.623 4.320 0.006 0.000 0.211 634 A C 1.022 178.658 177.584 0.088 0.000 1.160 634 A CA -0.064 51.966 52.037 -0.012 0.000 0.781 634 A CB 0.050 18.967 19.000 -0.137 0.000 0.842 634 A HN 0.499 nan 8.150 nan 0.000 0.475 635 K N -0.221 120.223 120.400 0.075 0.000 2.110 635 K HA 0.505 4.829 4.320 0.006 0.000 0.263 635 K C 0.576 177.242 176.600 0.110 0.000 0.975 635 K CA 0.249 56.593 56.287 0.095 0.000 0.895 635 K CB 1.186 33.728 32.500 0.071 0.000 1.060 635 K HN 0.500 nan 8.250 nan 0.000 0.448 636 G N 1.880 110.746 108.800 0.109 0.000 2.796 636 G HA2 -0.276 3.688 3.960 0.006 0.000 0.226 636 G HA3 -0.276 3.688 3.960 0.006 0.000 0.226 636 G C -0.714 174.266 174.900 0.133 0.000 1.381 636 G CA -0.747 44.417 45.100 0.105 0.000 0.867 636 G HN 0.724 nan 8.290 nan 0.000 0.552 637 N N -0.032 118.740 118.700 0.119 0.000 2.488 637 N HA 0.314 5.057 4.740 0.006 0.000 0.274 637 N C 1.168 176.777 175.510 0.165 0.000 1.111 637 N CA -0.026 53.107 53.050 0.138 0.000 0.974 637 N CB 0.683 39.230 38.487 0.101 0.000 1.089 637 N HN 0.495 nan 8.380 nan 0.000 0.465 638 F N 3.915 123.905 119.950 0.066 0.000 2.128 638 F HA -0.029 4.493 4.527 -0.007 0.000 0.295 638 F C 2.231 178.089 175.800 0.097 0.000 1.100 638 F CA 1.335 59.377 58.000 0.070 0.000 1.260 638 F CB -0.075 38.945 39.000 0.035 0.000 1.009 638 F HN 0.679 nan 8.300 nan 0.000 0.476 639 E N 0.079 120.288 120.200 0.016 0.000 2.070 639 E HA -0.354 3.999 4.350 0.006 0.000 0.197 639 E C 2.038 178.615 176.600 -0.038 0.000 1.004 639 E CA 1.703 58.074 56.400 -0.049 0.000 0.805 639 E CB -0.393 29.322 29.700 0.025 0.000 0.744 639 E HN 0.480 nan 8.360 nan 0.000 0.451 640 N N 0.137 118.834 118.700 -0.006 0.000 2.084 640 N HA -0.178 4.566 4.740 0.006 0.000 0.190 640 N C 1.671 177.161 175.510 -0.034 0.000 1.030 640 N CA 1.990 55.042 53.050 0.003 0.000 0.849 640 N CB -0.306 38.199 38.487 0.029 0.000 1.012 640 N HN 0.183 nan 8.380 nan 0.000 0.423 641 A N -0.646 122.136 122.820 -0.063 0.000 1.940 641 A HA -0.122 4.202 4.320 0.006 0.000 0.219 641 A C 2.171 179.680 177.584 -0.125 0.000 1.176 641 A CA 1.315 53.304 52.037 -0.080 0.000 0.631 641 A CB -1.156 17.813 19.000 -0.051 0.000 0.814 641 A HN 0.521 nan 8.150 nan 0.000 0.446 642 F N 0.807 120.521 119.950 -0.393 0.000 2.128 642 F HA -0.072 4.450 4.527 -0.007 0.000 0.295 642 F C 2.195 177.903 175.800 -0.153 0.000 1.100 642 F CA 1.914 59.714 58.000 -0.332 0.000 1.260 642 F CB -0.340 38.372 39.000 -0.481 0.000 1.009 642 F HN 0.353 nan 8.300 nan 0.000 0.476 643 E N 0.326 120.497 120.200 -0.048 0.000 2.171 643 E HA -0.245 4.108 4.350 0.006 0.000 0.197 643 E C 2.262 178.774 176.600 -0.146 0.000 0.997 643 E CA 1.780 58.132 56.400 -0.080 0.000 0.810 643 E CB -0.259 29.443 29.700 0.003 0.000 0.738 643 E HN 0.511 nan 8.360 nan 0.000 0.467 644 I N 0.281 120.772 120.570 -0.133 0.000 2.270 644 I HA -0.127 4.047 4.170 0.006 0.000 0.239 644 I C 2.314 178.336 176.117 -0.158 0.000 1.080 644 I CA 0.987 62.217 61.300 -0.117 0.000 1.383 644 I CB -0.055 37.899 38.000 -0.077 0.000 1.097 644 I HN 0.039 nan 8.210 nan 0.000 0.420 645 A N -0.023 122.687 122.820 -0.183 0.000 2.169 645 A HA 0.468 4.792 4.320 0.006 0.000 0.210 645 A C 1.318 178.742 177.584 -0.267 0.000 1.168 645 A CA 0.676 52.609 52.037 -0.174 0.000 0.813 645 A CB -0.395 18.546 19.000 -0.098 0.000 0.861 645 A HN 0.520 nan 8.150 nan 0.000 0.481 646 G N -1.248 107.231 108.800 -0.535 0.000 2.593 646 G HA2 0.085 4.049 3.960 0.006 0.000 0.237 646 G HA3 0.085 4.049 3.960 0.006 0.000 0.237 646 G C 1.167 175.826 174.900 -0.402 0.000 1.312 646 G CA 0.547 45.125 45.100 -0.871 0.000 0.896 646 G HN 1.433 nan 8.290 nan 0.000 0.574 647 A N -0.920 121.845 122.820 -0.091 0.000 1.997 647 A HA 0.010 4.334 4.320 0.006 0.000 0.221 647 A C 2.738 180.550 177.584 0.379 0.000 1.172 647 A CA 3.328 55.568 52.037 0.339 0.000 0.645 647 A CB -0.913 18.265 19.000 0.297 0.000 0.813 647 A HN 1.760 nan 8.150 nan 0.000 0.454 648 S N 0.165 116.021 115.700 0.259 0.000 2.420 648 S HA -0.196 4.278 4.470 0.006 0.000 0.237 648 S C 1.684 176.338 174.600 0.089 0.000 1.023 648 S CA 1.493 59.815 58.200 0.203 0.000 0.991 648 S CB -0.787 62.525 63.200 0.185 0.000 0.792 648 S HN 0.882 nan 8.310 nan 0.000 0.488 649 I N -1.573 119.067 120.570 0.116 0.000 3.291 649 I HA 0.124 4.298 4.170 0.006 0.000 0.279 649 I C 1.477 177.670 176.117 0.128 0.000 1.294 649 I CA 0.900 62.260 61.300 0.099 0.000 1.428 649 I CB -0.273 37.797 38.000 0.117 0.000 1.070 649 I HN 0.150 nan 8.210 nan 0.000 0.478 650 L N 0.957 122.292 121.223 0.188 0.000 2.477 650 L HA 0.254 4.598 4.340 0.006 0.000 0.220 650 L C 0.928 177.723 176.870 -0.124 0.000 1.106 650 L CA 0.015 54.947 54.840 0.154 0.000 0.851 650 L CB 0.038 42.340 42.059 0.404 0.000 0.994 650 L HN 0.210 nan 8.230 nan 0.000 0.462 651 L N 0.579 121.652 121.223 -0.250 0.000 2.410 651 L HA -0.018 4.326 4.340 0.006 0.000 0.273 651 L C 1.408 178.010 176.870 -0.446 0.000 1.152 651 L CA -0.084 54.480 54.840 -0.459 0.000 0.855 651 L CB 0.872 42.651 42.059 -0.467 0.000 1.129 651 L HN 0.016 nan 8.230 nan 0.000 0.463 652 E N 2.411 122.199 120.200 -0.687 0.000 2.208 652 E HA -0.049 4.305 4.350 0.006 0.000 0.193 652 E C -0.571 175.646 176.600 -0.638 0.000 0.988 652 E CA 0.850 56.689 56.400 -0.935 0.000 0.828 652 E CB 0.276 28.862 29.700 -1.857 0.000 0.763 652 E HN 0.393 nan 8.360 nan 0.000 0.478 653 F N -0.304 119.325 119.950 -0.536 0.000 2.628 653 F HA 0.380 4.914 4.527 0.012 0.000 0.309 653 F C -1.508 174.183 175.800 -0.181 0.000 1.108 653 F CA -1.241 56.627 58.000 -0.221 0.000 0.971 653 F CB 1.181 40.189 39.000 0.014 0.000 1.279 653 F HN -0.311 nan 8.300 nan 0.000 0.441 654 I N 7.331 127.392 120.570 -0.849 0.000 2.291 654 I HA 0.276 4.450 4.170 0.006 0.000 0.290 654 I C -2.114 173.503 176.117 -0.834 0.000 1.050 654 I CA -2.250 58.694 61.300 -0.592 0.000 1.245 654 I CB 0.600 38.380 38.000 -0.366 0.000 1.405 654 I HN 0.359 nan 8.210 nan 0.000 0.478 655 P HA 0.145 nan 4.420 nan 0.000 0.272 655 P C -0.477 176.816 177.300 -0.012 0.000 1.223 655 P CA -0.311 62.801 63.100 0.020 0.000 0.784 655 P CB 1.077 32.887 31.700 0.183 0.000 0.923 656 E N 1.641 121.888 120.200 0.079 0.000 2.044 656 E HA 0.249 4.602 4.350 0.006 0.000 0.282 656 E C -0.071 176.563 176.600 0.057 0.000 1.031 656 E CA -0.500 55.929 56.400 0.049 0.000 0.824 656 E CB 0.405 30.152 29.700 0.078 0.000 1.076 656 E HN 0.374 nan 8.360 nan 0.000 0.395 657 L N 3.135 124.367 121.223 0.015 0.000 2.452 657 L HA 0.170 4.513 4.340 0.006 0.000 0.267 657 L C 0.009 176.868 176.870 -0.018 0.000 1.188 657 L CA -0.517 54.309 54.840 -0.023 0.000 0.821 657 L CB 0.238 42.269 42.059 -0.047 0.000 1.102 657 L HN 0.374 nan 8.230 nan 0.000 0.470 658 L N 4.161 125.354 121.223 -0.049 0.000 2.276 658 L HA 0.467 4.811 4.340 0.006 0.000 0.286 658 L C -0.542 176.297 176.870 -0.052 0.000 1.024 658 L CA 0.375 55.209 54.840 -0.010 0.000 0.826 658 L CB 0.452 42.545 42.059 0.057 0.000 1.211 658 L HN 0.344 nan 8.230 nan 0.000 0.422 659 I N 7.804 128.347 120.570 -0.045 0.000 2.641 659 I HA 0.299 4.473 4.170 0.006 0.000 0.275 659 I C -2.138 173.945 176.117 -0.058 0.000 1.129 659 I CA -1.404 59.854 61.300 -0.069 0.000 1.094 659 I CB 1.275 39.228 38.000 -0.079 0.000 1.232 659 I HN 0.490 nan 8.210 nan 0.000 0.503 660 P HA 0.087 nan 4.420 nan 0.000 0.272 660 P C -0.206 177.056 177.300 -0.063 0.000 1.230 660 P CA -0.130 62.942 63.100 -0.045 0.000 0.788 660 P CB 1.522 33.200 31.700 -0.038 0.000 0.949 661 V N 3.024 122.915 119.914 -0.038 0.000 2.387 661 V HA -0.003 4.121 4.120 0.006 0.000 0.260 661 V C 0.804 176.877 176.094 -0.035 0.000 1.054 661 V CA -0.518 61.765 62.300 -0.028 0.000 0.967 661 V CB 0.634 32.458 31.823 0.000 0.000 1.036 661 V HN 0.282 nan 8.190 nan 0.000 0.481 662 V N 5.644 125.504 119.914 -0.090 0.000 2.583 662 V HA 0.035 4.159 4.120 0.006 0.000 0.302 662 V C 1.490 177.575 176.094 -0.015 0.000 1.033 662 V CA 0.729 62.922 62.300 -0.179 0.000 1.194 662 V CB -0.024 31.465 31.823 -0.556 0.000 0.879 662 V HN 1.002 nan 8.190 nan 0.000 0.482 663 G N 4.170 112.978 108.800 0.013 0.000 2.562 663 G HA2 0.374 4.337 3.960 0.006 0.000 0.233 663 G HA3 0.374 4.337 3.960 0.006 0.000 0.233 663 G C 0.347 175.412 174.900 0.276 0.000 1.266 663 G CA 0.105 45.274 45.100 0.115 0.000 0.852 663 G HN 1.284 nan 8.290 nan 0.000 0.581 664 A N 0.939 123.911 122.820 0.253 0.000 2.371 664 A HA 0.618 4.942 4.320 0.006 0.000 0.257 664 A C -0.416 177.443 177.584 0.458 0.000 1.089 664 A CA -0.386 51.834 52.037 0.306 0.000 0.794 664 A CB 0.282 19.380 19.000 0.163 0.000 1.029 664 A HN 0.441 nan 8.150 nan 0.000 0.488 665 F N 0.467 120.480 119.950 0.106 0.000 2.375 665 F HA 0.494 5.025 4.527 0.006 0.000 0.333 665 F C 0.261 176.059 175.800 -0.004 0.000 1.104 665 F CA -0.825 57.206 58.000 0.052 0.000 1.149 665 F CB 1.155 40.183 39.000 0.047 0.000 1.190 665 F HN 0.295 nan 8.300 nan 0.000 0.533 666 L N 5.060 126.340 121.223 0.095 0.000 2.377 666 L HA 0.389 4.733 4.340 0.006 0.000 0.270 666 L C -1.211 175.626 176.870 -0.056 0.000 0.991 666 L CA -0.772 54.081 54.840 0.020 0.000 0.851 666 L CB 1.158 43.220 42.059 0.004 0.000 1.218 666 L HN 0.284 nan 8.230 nan 0.000 0.420 667 L N 2.328 123.485 121.223 -0.110 0.000 2.305 667 L HA 0.347 4.691 4.340 0.006 0.000 0.281 667 L C 0.375 177.140 176.870 -0.174 0.000 1.085 667 L CA -0.190 54.494 54.840 -0.259 0.000 0.813 667 L CB 0.516 42.140 42.059 -0.725 0.000 1.157 667 L HN 0.397 nan 8.230 nan 0.000 0.436 668 E N 1.597 121.670 120.200 -0.211 0.000 2.290 668 E HA 0.243 4.597 4.350 0.006 0.000 0.277 668 E C -0.408 175.857 176.600 -0.558 0.000 1.035 668 E CA -0.021 56.195 56.400 -0.307 0.000 0.873 668 E CB 0.635 30.178 29.700 -0.262 0.000 1.029 668 E HN 0.616 nan 8.360 nan 0.000 0.419 669 S N 3.770 119.250 115.700 -0.367 0.000 2.565 669 S HA 0.330 4.804 4.470 0.006 0.000 0.274 669 S C -0.573 173.724 174.600 -0.505 0.000 1.309 669 S CA -0.526 57.480 58.200 -0.323 0.000 1.043 669 S CB 0.388 63.496 63.200 -0.153 0.000 0.939 669 S HN 0.511 nan 8.310 nan 0.000 0.504 670 Y N 2.161 122.420 120.300 -0.068 0.000 2.628 670 Y HA 0.317 4.870 4.550 0.006 0.000 0.354 670 Y C 0.236 175.959 175.900 -0.295 0.000 1.061 670 Y CA -1.238 56.789 58.100 -0.121 0.000 1.251 670 Y CB 0.479 38.905 38.460 -0.056 0.000 1.098 670 Y HN 0.701 nan 8.280 nan 0.000 0.626 671 I N -0.442 119.963 120.570 -0.276 0.000 2.668 671 I HA 0.116 4.290 4.170 0.006 0.000 0.285 671 I C 0.141 176.118 176.117 -0.233 0.000 1.168 671 I CA 0.400 61.309 61.300 -0.652 0.000 1.424 671 I CB 0.700 38.463 38.000 -0.395 0.000 1.377 671 I HN 0.619 nan 8.210 nan 0.000 0.560 672 D N 1.772 122.147 120.400 -0.043 0.000 2.337 672 D HA -0.233 4.410 4.640 0.006 0.000 0.194 672 D C 0.328 176.702 176.300 0.124 0.000 1.448 672 D CA 1.401 55.548 54.000 0.246 0.000 1.699 672 D CB -0.879 40.007 40.800 0.145 0.000 1.398 672 D HN 0.800 nan 8.370 nan 0.000 0.553 673 N N 1.266 119.988 118.700 0.038 0.000 2.405 673 N HA 0.042 4.786 4.740 0.006 0.000 0.260 673 N C 0.981 176.528 175.510 0.061 0.000 1.152 673 N CA 0.430 53.489 53.050 0.016 0.000 0.948 673 N CB 1.006 39.455 38.487 -0.064 0.000 1.111 673 N HN 0.313 nan 8.380 nan 0.000 0.485 674 K N 3.494 123.933 120.400 0.065 0.000 2.167 674 K HA -0.026 4.298 4.320 0.006 0.000 0.203 674 K C 0.803 177.451 176.600 0.081 0.000 1.052 674 K CA 0.918 57.259 56.287 0.089 0.000 0.956 674 K CB 0.318 32.865 32.500 0.078 0.000 0.735 674 K HN 0.447 nan 8.250 nan 0.000 0.451 675 N N 0.855 119.578 118.700 0.039 0.000 2.062 675 N HA -0.107 4.637 4.740 0.006 0.000 0.191 675 N C 1.468 177.009 175.510 0.052 0.000 1.042 675 N CA 1.355 54.425 53.050 0.035 0.000 0.845 675 N CB -0.003 38.478 38.487 -0.011 0.000 1.024 675 N HN 0.070 nan 8.380 nan 0.000 0.424 676 K N 0.608 120.987 120.400 -0.034 0.000 2.059 676 K HA -0.137 4.187 4.320 0.006 0.000 0.212 676 K C 1.977 178.764 176.600 0.312 0.000 1.050 676 K CA 1.145 57.416 56.287 -0.027 0.000 0.927 676 K CB -0.379 31.803 32.500 -0.530 0.000 0.714 676 K HN 0.222 nan 8.250 nan 0.000 0.447 677 I N 0.952 121.720 120.570 0.330 0.000 2.179 677 I HA -0.298 3.876 4.170 0.006 0.000 0.242 677 I C 2.335 178.633 176.117 0.301 0.000 1.088 677 I CA 1.278 62.798 61.300 0.367 0.000 1.357 677 I CB -0.269 37.870 38.000 0.231 0.000 1.051 677 I HN 0.163 nan 8.210 nan 0.000 0.409 678 I N 0.649 121.349 120.570 0.216 0.000 2.179 678 I HA -0.302 3.872 4.170 0.006 0.000 0.242 678 I C 2.521 178.743 176.117 0.174 0.000 1.088 678 I CA 1.478 62.887 61.300 0.181 0.000 1.357 678 I CB -0.406 37.686 38.000 0.153 0.000 1.051 678 I HN 0.188 nan 8.210 nan 0.000 0.409 679 K N 0.260 120.769 120.400 0.182 0.000 2.044 679 K HA -0.181 4.143 4.320 0.006 0.000 0.210 679 K C 2.104 178.814 176.600 0.183 0.000 1.049 679 K CA 2.055 58.449 56.287 0.178 0.000 0.927 679 K CB -0.429 32.198 32.500 0.212 0.000 0.713 679 K HN 0.303 nan 8.250 nan 0.000 0.443 680 T N 1.912 116.610 114.554 0.240 0.000 2.607 680 T HA -0.169 4.185 4.350 0.006 0.000 0.267 680 T C 1.930 176.677 174.700 0.078 0.000 1.049 680 T CA 1.563 63.767 62.100 0.173 0.000 1.162 680 T CB -0.317 68.661 68.868 0.183 0.000 0.863 680 T HN 0.147 nan 8.240 nan 0.000 0.424 681 I N 1.488 122.117 120.570 0.097 0.000 2.087 681 I HA -0.263 3.911 4.170 0.006 0.000 0.240 681 I C 2.444 178.602 176.117 0.068 0.000 1.054 681 I CA 1.599 62.938 61.300 0.065 0.000 1.311 681 I CB -0.586 37.484 38.000 0.116 0.000 1.024 681 I HN 0.237 nan 8.210 nan 0.000 0.402 682 D N 0.842 121.290 120.400 0.081 0.000 2.133 682 D HA -0.193 4.451 4.640 0.006 0.000 0.195 682 D C 1.831 178.180 176.300 0.083 0.000 0.997 682 D CA 1.563 55.607 54.000 0.072 0.000 0.840 682 D CB -0.659 40.187 40.800 0.076 0.000 0.947 682 D HN 0.546 nan 8.370 nan 0.000 0.452 683 N N 0.771 119.523 118.700 0.086 0.000 2.084 683 N HA -0.130 4.614 4.740 0.006 0.000 0.190 683 N C 1.965 177.543 175.510 0.112 0.000 1.030 683 N CA 0.964 54.062 53.050 0.080 0.000 0.849 683 N CB -0.057 38.462 38.487 0.054 0.000 1.012 683 N HN 0.083 nan 8.380 nan 0.000 0.423 684 A N 1.534 124.432 122.820 0.130 0.000 1.978 684 A HA -0.106 4.218 4.320 0.006 0.000 0.220 684 A C 2.176 179.935 177.584 0.292 0.000 1.170 684 A CA 1.036 53.240 52.037 0.278 0.000 0.636 684 A CB -0.647 18.495 19.000 0.235 0.000 0.810 684 A HN 0.187 nan 8.150 nan 0.000 0.448 685 L N -0.267 121.050 121.223 0.157 0.000 2.056 685 L HA -0.161 4.183 4.340 0.006 0.000 0.207 685 L C 3.024 179.981 176.870 0.145 0.000 1.078 685 L CA 1.869 56.779 54.840 0.116 0.000 0.749 685 L CB -0.849 41.246 42.059 0.059 0.000 0.901 685 L HN 0.665 nan 8.230 nan 0.000 0.433 686 T N -2.958 111.684 114.554 0.146 0.000 2.896 686 T HA -0.169 4.184 4.350 0.006 0.000 0.263 686 T C 1.842 176.667 174.700 0.208 0.000 1.050 686 T CA 0.873 63.066 62.100 0.154 0.000 1.140 686 T CB -0.141 68.804 68.868 0.128 0.000 0.877 686 T HN -0.031 nan 8.240 nan 0.000 0.457 687 K N 1.723 122.259 120.400 0.226 0.000 2.147 687 K HA -0.006 4.318 4.320 0.006 0.000 0.205 687 K C 2.517 179.353 176.600 0.394 0.000 1.049 687 K CA 0.921 57.355 56.287 0.243 0.000 0.936 687 K CB -0.445 32.158 32.500 0.173 0.000 0.722 687 K HN 0.278 nan 8.250 nan 0.000 0.446 688 R N 0.798 121.580 120.500 0.470 0.000 2.096 688 R HA -0.092 4.251 4.340 0.006 0.000 0.235 688 R C 1.321 177.877 176.300 0.427 0.000 1.127 688 R CA 1.650 58.046 56.100 0.493 0.000 0.968 688 R CB -0.608 29.912 30.300 0.367 0.000 0.861 688 R HN 0.335 nan 8.270 nan 0.000 0.440 689 N N 1.086 119.965 118.700 0.297 0.000 2.188 689 N HA -0.177 4.567 4.740 0.006 0.000 0.184 689 N C 1.643 177.355 175.510 0.336 0.000 1.018 689 N CA 1.076 54.281 53.050 0.257 0.000 0.858 689 N CB -0.182 38.408 38.487 0.172 0.000 0.989 689 N HN 0.473 nan 8.380 nan 0.000 0.426 690 E N 1.082 121.457 120.200 0.291 0.000 2.153 690 E HA -0.145 4.209 4.350 0.006 0.000 0.194 690 E C 1.357 178.016 176.600 0.098 0.000 0.988 690 E CA 0.877 57.361 56.400 0.139 0.000 0.811 690 E CB 0.269 29.906 29.700 -0.105 0.000 0.746 690 E HN 0.100 nan 8.360 nan 0.000 0.466 691 K N -0.148 120.331 120.400 0.131 0.000 2.097 691 K HA -0.152 4.172 4.320 0.006 0.000 0.205 691 K C 1.713 178.286 176.600 -0.044 0.000 1.050 691 K CA 0.943 57.219 56.287 -0.019 0.000 0.938 691 K CB -0.469 31.924 32.500 -0.179 0.000 0.718 691 K HN 0.287 nan 8.250 nan 0.000 0.442 692 W N 1.343 122.580 121.300 -0.106 0.000 2.379 692 W HA -0.091 4.573 4.660 0.007 0.000 0.307 692 W C 2.832 179.193 176.519 -0.264 0.000 1.200 692 W CA 1.595 58.789 57.345 -0.251 0.000 1.297 692 W CB -0.945 28.416 29.460 -0.165 0.000 1.140 692 W HN 0.042 nan 8.180 nan 0.000 0.507 693 S N 0.022 115.901 115.700 0.298 0.000 2.359 693 S HA -0.218 4.256 4.470 0.006 0.000 0.224 693 S C 1.499 176.335 174.600 0.394 0.000 1.035 693 S CA 2.099 60.588 58.200 0.482 0.000 1.018 693 S CB -0.527 63.017 63.200 0.575 0.000 0.876 693 S HN 0.119 nan 8.310 nan 0.000 0.448 694 D N 0.518 121.033 120.400 0.192 0.000 2.178 694 D HA -0.058 4.586 4.640 0.006 0.000 0.201 694 D C 1.814 178.120 176.300 0.010 0.000 0.980 694 D CA 0.967 55.028 54.000 0.102 0.000 0.842 694 D CB -0.338 40.466 40.800 0.007 0.000 0.948 694 D HN 0.373 nan 8.370 nan 0.000 0.472 695 M N -0.673 118.873 119.600 -0.090 0.000 2.086 695 M HA -0.128 4.355 4.480 0.006 0.000 0.261 695 M C 1.682 177.936 176.300 -0.078 0.000 1.067 695 M CA 1.530 56.730 55.300 -0.166 0.000 1.116 695 M CB -0.779 31.608 32.600 -0.356 0.000 1.348 695 M HN 0.158 nan 8.290 nan 0.000 0.407 696 Y N -0.739 119.489 120.300 -0.120 0.000 2.165 696 Y HA -0.169 4.384 4.550 0.006 0.000 0.286 696 Y C 2.331 177.909 175.900 -0.537 0.000 1.155 696 Y CA 0.540 58.487 58.100 -0.256 0.000 1.164 696 Y CB -0.822 37.641 38.460 0.004 0.000 0.978 696 Y HN 0.430 nan 8.280 nan 0.000 0.513 697 G N 0.127 108.666 108.800 -0.436 0.000 2.450 697 G HA2 -0.285 3.678 3.960 0.006 0.000 0.220 697 G HA3 -0.285 3.678 3.960 0.006 0.000 0.220 697 G C 1.501 176.341 174.900 -0.100 0.000 1.130 697 G CA 0.914 45.798 45.100 -0.360 0.000 0.760 697 G HN 0.292 nan 8.290 nan 0.000 0.557 698 L N 0.594 121.776 121.223 -0.067 0.000 2.093 698 L HA 0.068 4.412 4.340 0.006 0.000 0.208 698 L C 2.441 179.233 176.870 -0.130 0.000 1.085 698 L CA 1.160 55.967 54.840 -0.056 0.000 0.755 698 L CB -0.347 41.678 42.059 -0.057 0.000 0.904 698 L HN 0.082 nan 8.230 nan 0.000 0.435 699 I N -1.134 119.352 120.570 -0.139 0.000 2.163 699 I HA -0.190 3.984 4.170 0.006 0.000 0.240 699 I C 2.572 178.641 176.117 -0.081 0.000 1.081 699 I CA 1.156 62.362 61.300 -0.157 0.000 1.353 699 I CB -1.264 36.607 38.000 -0.215 0.000 1.054 699 I HN 0.063 nan 8.210 nan 0.000 0.407 700 V N 1.724 121.596 119.914 -0.070 0.000 2.278 700 V HA -0.338 3.786 4.120 0.006 0.000 0.251 700 V C 2.867 179.081 176.094 0.199 0.000 1.062 700 V CA 2.136 64.520 62.300 0.140 0.000 1.038 700 V CB -1.316 30.590 31.823 0.138 0.000 0.646 700 V HN 0.495 nan 8.190 nan 0.000 0.447 701 A N -1.063 121.815 122.820 0.096 0.000 1.940 701 A HA -0.306 4.018 4.320 0.006 0.000 0.219 701 A C 2.180 179.799 177.584 0.057 0.000 1.176 701 A CA 2.142 54.251 52.037 0.121 0.000 0.631 701 A CB -0.451 18.654 19.000 0.174 0.000 0.814 701 A HN 0.682 nan 8.150 nan 0.000 0.446 702 Q N -2.375 117.336 119.800 -0.148 0.000 2.137 702 Q HA -0.165 4.179 4.340 0.006 0.000 0.198 702 Q C 1.932 177.947 176.000 0.025 0.000 0.960 702 Q CA 1.297 56.927 55.803 -0.287 0.000 0.847 702 Q CB -0.255 28.158 28.738 -0.542 0.000 0.915 702 Q HN 0.904 nan 8.270 nan 0.000 0.448 703 W N 1.709 122.961 121.300 -0.080 0.000 2.335 703 W HA -0.171 4.489 4.660 0.000 0.000 0.311 703 W C 1.463 177.998 176.519 0.027 0.000 1.213 703 W CA 1.280 58.625 57.345 0.000 0.000 1.274 703 W CB -0.408 29.052 29.460 -0.000 0.000 1.148 703 W HN 0.006 nan 8.180 nan 0.000 0.498 704 L N 0.940 122.061 121.223 -0.169 0.000 2.131 704 L HA -0.194 4.150 4.340 0.006 0.000 0.210 704 L C 2.511 179.210 176.870 -0.285 0.000 1.092 704 L CA 1.878 56.489 54.840 -0.382 0.000 0.759 704 L CB -0.955 40.996 42.059 -0.180 0.000 0.903 704 L HN 0.194 nan 8.230 nan 0.000 0.435 705 S N -3.264 112.363 115.700 -0.121 0.000 2.539 705 S HA 0.022 4.495 4.470 0.006 0.000 0.221 705 S C 1.351 176.006 174.600 0.091 0.000 0.987 705 S CA 0.310 58.458 58.200 -0.088 0.000 0.929 705 S CB 0.172 63.392 63.200 0.033 0.000 0.832 705 S HN 0.487 nan 8.310 nan 0.000 0.492 706 T N -2.682 111.908 114.554 0.060 0.000 2.992 706 T HA 0.353 4.706 4.350 0.006 0.000 0.255 706 T C 1.179 175.897 174.700 0.030 0.000 0.938 706 T CA 0.475 62.633 62.100 0.097 0.000 0.895 706 T CB 0.081 69.037 68.868 0.146 0.000 1.221 706 T HN 0.128 nan 8.240 nan 0.000 0.512 707 V N 1.525 121.423 119.914 -0.028 0.000 2.840 707 V HA 0.264 4.387 4.120 0.006 0.000 0.234 707 V C 2.450 178.503 176.094 -0.069 0.000 1.159 707 V CA 0.912 63.167 62.300 -0.076 0.000 1.194 707 V CB -0.449 31.429 31.823 0.091 0.000 0.971 707 V HN 0.379 nan 8.190 nan 0.000 0.494 708 N N 1.136 119.688 118.700 -0.246 0.000 2.272 708 N HA -0.182 4.562 4.740 0.006 0.000 0.185 708 N C 1.804 177.301 175.510 -0.021 0.000 1.014 708 N CA 2.109 55.033 53.050 -0.209 0.000 0.870 708 N CB -0.117 37.919 38.487 -0.752 0.000 0.975 708 N HN 0.683 nan 8.380 nan 0.000 0.433 709 T N -2.339 112.189 114.554 -0.044 0.000 2.777 709 T HA -0.115 4.238 4.350 0.006 0.000 0.266 709 T C 1.743 176.582 174.700 0.231 0.000 1.040 709 T CA 0.958 63.108 62.100 0.083 0.000 1.141 709 T CB -0.459 68.465 68.868 0.095 0.000 0.868 709 T HN 0.245 nan 8.240 nan 0.000 0.444 710 Q N 0.151 120.048 119.800 0.162 0.000 2.084 710 Q HA -0.000 4.343 4.340 0.006 0.000 0.202 710 Q C 2.034 178.116 176.000 0.137 0.000 0.978 710 Q CA 1.468 57.404 55.803 0.223 0.000 0.844 710 Q CB -0.401 28.259 28.738 -0.130 0.000 0.898 710 Q HN 0.605 nan 8.270 nan 0.000 0.426 711 F N -0.942 119.092 119.950 0.140 0.000 2.365 711 F HA -0.202 4.324 4.527 -0.002 0.000 0.300 711 F C 2.118 177.990 175.800 0.121 0.000 1.090 711 F CA 0.573 58.636 58.000 0.104 0.000 1.408 711 F CB -0.042 38.993 39.000 0.058 0.000 1.060 711 F HN 0.155 nan 8.300 nan 0.000 0.534 712 Y N 0.967 121.372 120.300 0.175 0.000 2.153 712 Y HA -0.220 4.333 4.550 0.005 0.000 0.289 712 Y C 2.465 178.400 175.900 0.058 0.000 1.127 712 Y CA 2.034 60.190 58.100 0.094 0.000 1.131 712 Y CB -0.967 37.522 38.460 0.048 0.000 0.995 712 Y HN -0.114 nan 8.280 nan 0.000 0.505 713 T N 1.595 116.157 114.554 0.013 0.000 2.699 713 T HA -0.237 4.117 4.350 0.006 0.000 0.268 713 T C 1.991 176.573 174.700 -0.196 0.000 1.036 713 T CA 2.192 64.155 62.100 -0.229 0.000 1.147 713 T CB -0.533 68.042 68.868 -0.489 0.000 0.862 713 T HN 0.379 nan 8.240 nan 0.000 0.446 714 I N 0.493 121.057 120.570 -0.011 0.000 2.179 714 I HA -0.195 3.979 4.170 0.006 0.000 0.242 714 I C 2.635 178.753 176.117 0.002 0.000 1.088 714 I CA 1.388 62.712 61.300 0.039 0.000 1.357 714 I CB -0.282 37.825 38.000 0.178 0.000 1.051 714 I HN 0.187 nan 8.210 nan 0.000 0.409 715 K N 0.335 120.734 120.400 -0.001 0.000 2.063 715 K HA -0.196 4.127 4.320 0.006 0.000 0.208 715 K C 2.102 178.654 176.600 -0.080 0.000 1.048 715 K CA 1.270 57.546 56.287 -0.018 0.000 0.928 715 K CB -0.083 32.406 32.500 -0.018 0.000 0.713 715 K HN 0.247 nan 8.250 nan 0.000 0.442 716 E N -0.123 119.933 120.200 -0.240 0.000 2.077 716 E HA -0.128 4.226 4.350 0.006 0.000 0.193 716 E C 2.170 178.737 176.600 -0.054 0.000 0.989 716 E CA 1.240 57.518 56.400 -0.203 0.000 0.800 716 E CB -0.445 29.037 29.700 -0.363 0.000 0.746 716 E HN 0.451 nan 8.360 nan 0.000 0.452 717 G N 1.010 109.761 108.800 -0.081 0.000 2.442 717 G HA2 -0.250 3.714 3.960 0.006 0.000 0.219 717 G HA3 -0.250 3.714 3.960 0.006 0.000 0.219 717 G C 1.522 176.420 174.900 -0.003 0.000 1.141 717 G CA 0.876 45.953 45.100 -0.039 0.000 0.763 717 G HN 0.124 nan 8.290 nan 0.000 0.554 718 M N -0.793 118.814 119.600 0.011 0.000 2.254 718 M HA 0.084 4.567 4.480 0.006 0.000 0.265 718 M C 2.234 178.582 176.300 0.079 0.000 1.066 718 M CA 0.454 55.776 55.300 0.035 0.000 1.123 718 M CB -1.062 31.576 32.600 0.062 0.000 1.388 718 M HN 0.398 nan 8.290 nan 0.000 0.425 719 Y N 1.342 121.626 120.300 -0.027 0.000 2.200 719 Y HA -0.190 4.363 4.550 0.005 0.000 0.290 719 Y C 2.248 178.098 175.900 -0.083 0.000 1.137 719 Y CA 1.798 59.880 58.100 -0.032 0.000 1.163 719 Y CB -0.094 38.334 38.460 -0.054 0.000 0.988 719 Y HN 0.147 nan 8.280 nan 0.000 0.518 720 K N -0.305 120.053 120.400 -0.070 0.000 2.057 720 K HA -0.126 4.198 4.320 0.006 0.000 0.206 720 K C 2.332 178.729 176.600 -0.338 0.000 1.050 720 K CA 0.975 57.078 56.287 -0.308 0.000 0.935 720 K CB -0.340 32.043 32.500 -0.196 0.000 0.715 720 K HN 0.381 nan 8.250 nan 0.000 0.439 721 A N 1.584 124.386 122.820 -0.031 0.000 1.858 721 A HA -0.150 4.173 4.320 0.006 0.000 0.216 721 A C 2.139 179.854 177.584 0.219 0.000 1.190 721 A CA 1.309 53.462 52.037 0.194 0.000 0.617 721 A CB -0.730 18.334 19.000 0.106 0.000 0.827 721 A HN 0.159 nan 8.150 nan 0.000 0.443 722 L N -0.242 121.055 121.223 0.124 0.000 2.083 722 L HA -0.204 4.140 4.340 0.006 0.000 0.209 722 L C 2.448 179.338 176.870 0.034 0.000 1.083 722 L CA 1.209 56.125 54.840 0.127 0.000 0.752 722 L CB -0.576 41.548 42.059 0.109 0.000 0.899 722 L HN 0.452 nan 8.230 nan 0.000 0.433 723 N N -0.640 117.940 118.700 -0.200 0.000 2.188 723 N HA -0.181 4.563 4.740 0.006 0.000 0.184 723 N C 1.948 177.398 175.510 -0.100 0.000 1.018 723 N CA 1.313 54.191 53.050 -0.287 0.000 0.858 723 N CB -0.122 38.049 38.487 -0.528 0.000 0.989 723 N HN 0.413 nan 8.380 nan 0.000 0.426 724 Y N 1.511 121.798 120.300 -0.021 0.000 2.165 724 Y HA -0.191 4.362 4.550 0.004 0.000 0.286 724 Y C 2.669 178.608 175.900 0.065 0.000 1.155 724 Y CA 0.573 58.694 58.100 0.035 0.000 1.164 724 Y CB 0.142 38.649 38.460 0.078 0.000 0.978 724 Y HN 0.069 nan 8.280 nan 0.000 0.513 725 Q N 0.056 119.981 119.800 0.207 0.000 2.020 725 Q HA -0.201 4.142 4.340 0.006 0.000 0.202 725 Q C 2.585 178.723 176.000 0.230 0.000 0.982 725 Q CA 1.483 57.370 55.803 0.141 0.000 0.838 725 Q CB -0.856 27.827 28.738 -0.092 0.000 0.899 725 Q HN 0.528 nan 8.270 nan 0.000 0.423 726 A N 0.981 123.888 122.820 0.146 0.000 1.865 726 A HA -0.262 4.062 4.320 0.006 0.000 0.217 726 A C 2.142 179.780 177.584 0.090 0.000 1.191 726 A CA 1.842 53.812 52.037 -0.112 0.000 0.623 726 A CB -0.696 18.176 19.000 -0.214 0.000 0.826 726 A HN 0.426 nan 8.150 nan 0.000 0.444 727 Q N -0.705 119.168 119.800 0.121 0.000 2.112 727 Q HA -0.176 4.168 4.340 0.006 0.000 0.206 727 Q C 2.385 178.578 176.000 0.321 0.000 0.987 727 Q CA 1.696 57.648 55.803 0.249 0.000 0.858 727 Q CB -0.435 28.428 28.738 0.209 0.000 0.905 727 Q HN 0.712 nan 8.270 nan 0.000 0.420 728 A N 0.434 123.433 122.820 0.298 0.000 1.902 728 A HA -0.173 4.151 4.320 0.006 0.000 0.217 728 A C 1.993 179.676 177.584 0.164 0.000 1.181 728 A CA 1.204 53.394 52.037 0.255 0.000 0.623 728 A CB -0.567 18.549 19.000 0.195 0.000 0.818 728 A HN 0.358 nan 8.150 nan 0.000 0.443 729 L N 0.079 121.396 121.223 0.157 0.000 2.056 729 L HA -0.097 4.247 4.340 0.006 0.000 0.207 729 L C 2.286 179.231 176.870 0.126 0.000 1.078 729 L CA 2.705 57.615 54.840 0.118 0.000 0.749 729 L CB -0.718 41.383 42.059 0.069 0.000 0.901 729 L HN 0.578 nan 8.230 nan 0.000 0.433 730 E N -0.473 119.819 120.200 0.154 0.000 2.085 730 E HA -0.305 4.049 4.350 0.006 0.000 0.194 730 E C 2.078 178.829 176.600 0.252 0.000 0.994 730 E CA 1.538 58.053 56.400 0.192 0.000 0.801 730 E CB -0.179 29.674 29.700 0.255 0.000 0.743 730 E HN 0.532 nan 8.360 nan 0.000 0.453 731 E N 0.525 120.876 120.200 0.252 0.000 2.031 731 E HA -0.164 4.190 4.350 0.006 0.000 0.193 731 E C 1.974 178.696 176.600 0.204 0.000 0.994 731 E CA 1.798 58.336 56.400 0.230 0.000 0.800 731 E CB -0.386 29.429 29.700 0.192 0.000 0.752 731 E HN 0.467 nan 8.360 nan 0.000 0.447 732 I N 0.232 120.899 120.570 0.162 0.000 2.163 732 I HA -0.300 3.874 4.170 0.006 0.000 0.243 732 I C 2.331 178.675 176.117 0.377 0.000 1.085 732 I CA 1.170 62.596 61.300 0.210 0.000 1.347 732 I CB -0.317 37.794 38.000 0.186 0.000 1.044 732 I HN 0.184 nan 8.210 nan 0.000 0.408 733 I N 0.580 121.391 120.570 0.402 0.000 2.163 733 I HA -0.323 3.851 4.170 0.006 0.000 0.243 733 I C 2.554 179.032 176.117 0.602 0.000 1.085 733 I CA 1.558 63.176 61.300 0.531 0.000 1.347 733 I CB -0.427 37.743 38.000 0.283 0.000 1.044 733 I HN 0.161 nan 8.210 nan 0.000 0.408 734 K N -0.066 120.645 120.400 0.518 0.000 2.020 734 K HA -0.274 4.050 4.320 0.006 0.000 0.212 734 K C 2.253 179.059 176.600 0.343 0.000 1.050 734 K CA 2.059 58.625 56.287 0.465 0.000 0.929 734 K CB -0.553 32.123 32.500 0.292 0.000 0.714 734 K HN 0.218 nan 8.250 nan 0.000 0.443 735 Y N 2.032 122.435 120.300 0.173 0.000 2.081 735 Y HA -0.287 4.267 4.550 0.007 0.000 0.280 735 Y C 2.270 178.154 175.900 -0.026 0.000 1.163 735 Y CA 1.596 59.727 58.100 0.051 0.000 1.135 735 Y CB 0.035 38.502 38.460 0.010 0.000 0.970 735 Y HN -0.028 nan 8.280 nan 0.000 0.498 736 R N -0.853 119.684 120.500 0.062 0.000 2.073 736 R HA -0.226 4.118 4.340 0.006 0.000 0.234 736 R C 2.152 178.091 176.300 -0.602 0.000 1.134 736 R CA 1.803 57.765 56.100 -0.230 0.000 0.952 736 R CB -1.775 28.590 30.300 0.107 0.000 0.850 736 R HN 0.514 nan 8.270 nan 0.000 0.433 737 Y N 2.503 122.618 120.300 -0.307 0.000 2.128 737 Y HA -0.152 4.402 4.550 0.006 0.000 0.284 737 Y C 1.625 177.393 175.900 -0.220 0.000 1.154 737 Y CA 1.491 59.442 58.100 -0.248 0.000 1.149 737 Y CB -0.383 38.271 38.460 0.324 0.000 0.976 737 Y HN 0.046 nan 8.280 nan 0.000 0.505 738 N N 0.189 118.744 118.700 -0.242 0.000 2.550 738 N HA -0.091 4.653 4.740 0.006 0.000 0.186 738 N C 1.628 176.868 175.510 -0.450 0.000 1.110 738 N CA 0.625 53.474 53.050 -0.335 0.000 0.912 738 N CB -0.046 38.330 38.487 -0.185 0.000 0.968 738 N HN 0.392 nan 8.380 nan 0.000 0.448 739 I N 0.369 120.547 120.570 -0.652 0.000 2.617 739 I HA -0.105 4.069 4.170 0.006 0.000 0.256 739 I C 0.611 176.432 176.117 -0.494 0.000 1.167 739 I CA 0.434 61.353 61.300 -0.636 0.000 1.469 739 I CB -0.557 36.979 38.000 -0.774 0.000 1.098 739 I HN 0.019 nan 8.210 nan 0.000 0.436 740 Y N 1.255 121.330 120.300 -0.375 0.000 2.296 740 Y HA 0.053 4.607 4.550 0.006 0.000 0.343 740 Y C 1.561 177.291 175.900 -0.284 0.000 1.292 740 Y CA -0.589 57.316 58.100 -0.326 0.000 1.490 740 Y CB 0.323 38.549 38.460 -0.390 0.000 1.359 740 Y HN 0.019 nan 8.280 nan 0.000 0.599 741 S N -0.233 115.450 115.700 -0.029 0.000 2.652 741 S HA 0.145 4.619 4.470 0.006 0.000 0.270 741 S C 0.704 175.246 174.600 -0.096 0.000 1.243 741 S CA -0.868 57.286 58.200 -0.075 0.000 0.999 741 S CB 1.340 64.507 63.200 -0.055 0.000 0.973 741 S HN 0.666 nan 8.310 nan 0.000 0.544 742 E N 0.856 121.004 120.200 -0.087 0.000 2.118 742 E HA -0.146 4.207 4.350 0.006 0.000 0.195 742 E C 1.712 178.277 176.600 -0.058 0.000 0.992 742 E CA 0.853 57.207 56.400 -0.077 0.000 0.804 742 E CB -0.251 29.417 29.700 -0.054 0.000 0.741 742 E HN 0.576 nan 8.360 nan 0.000 0.458 743 K N 1.389 121.758 120.400 -0.051 0.000 2.032 743 K HA -0.171 4.153 4.320 0.006 0.000 0.209 743 K C 1.888 178.456 176.600 -0.053 0.000 1.048 743 K CA 1.356 57.618 56.287 -0.042 0.000 0.927 743 K CB -0.109 32.367 32.500 -0.039 0.000 0.712 743 K HN 0.208 nan 8.250 nan 0.000 0.441 744 E N 0.312 120.465 120.200 -0.078 0.000 2.051 744 E HA -0.160 4.194 4.350 0.006 0.000 0.192 744 E C 2.123 178.650 176.600 -0.121 0.000 0.991 744 E CA 1.126 57.452 56.400 -0.123 0.000 0.799 744 E CB -0.032 29.562 29.700 -0.177 0.000 0.748 744 E HN 0.291 nan 8.360 nan 0.000 0.449 745 K N 0.612 120.940 120.400 -0.121 0.000 2.152 745 K HA -0.093 4.231 4.320 0.006 0.000 0.206 745 K C 2.290 178.937 176.600 0.077 0.000 1.048 745 K CA 1.179 57.429 56.287 -0.062 0.000 0.933 745 K CB -0.060 32.310 32.500 -0.216 0.000 0.721 745 K HN -0.050 nan 8.250 nan 0.000 0.447 746 S N 1.247 116.963 115.700 0.026 0.000 2.419 746 S HA -0.066 4.408 4.470 0.006 0.000 0.233 746 S C 1.328 175.955 174.600 0.046 0.000 1.016 746 S CA 0.994 59.220 58.200 0.044 0.000 0.974 746 S CB -0.111 63.098 63.200 0.015 0.000 0.786 746 S HN 0.331 nan 8.310 nan 0.000 0.492 747 N N 0.472 119.187 118.700 0.025 0.000 2.325 747 N HA 0.230 4.974 4.740 0.006 0.000 0.182 747 N C -0.023 175.513 175.510 0.044 0.000 1.088 747 N CA 0.139 53.202 53.050 0.021 0.000 0.879 747 N CB 0.357 38.838 38.487 -0.010 0.000 0.983 747 N HN 0.372 nan 8.380 nan 0.000 0.471 748 I N 2.255 122.878 120.570 0.088 0.000 2.363 748 I HA -0.002 4.172 4.170 0.006 0.000 0.292 748 I C 0.395 176.612 176.117 0.167 0.000 1.075 748 I CA -0.322 61.074 61.300 0.159 0.000 1.333 748 I CB 0.245 38.429 38.000 0.306 0.000 1.415 748 I HN -0.158 nan 8.210 nan 0.000 0.502 749 N N 8.616 127.377 118.700 0.102 0.000 2.448 749 N HA 0.272 5.015 4.740 0.006 0.000 0.250 749 N C -1.073 174.450 175.510 0.022 0.000 1.136 749 N CA 0.025 53.109 53.050 0.058 0.000 0.953 749 N CB 0.243 38.746 38.487 0.027 0.000 1.251 749 N HN 0.324 nan 8.380 nan 0.000 0.502 750 I N 1.612 122.187 120.570 0.010 0.000 2.647 750 I HA 0.264 4.438 4.170 0.006 0.000 0.295 750 I C -0.691 175.381 176.117 -0.076 0.000 1.078 750 I CA -0.706 60.532 61.300 -0.102 0.000 1.048 750 I CB 2.097 39.971 38.000 -0.210 0.000 1.239 750 I HN 0.354 nan 8.210 nan 0.000 0.421 751 D N 4.654 124.970 120.400 -0.140 0.000 2.408 751 D HA 0.299 4.943 4.640 0.006 0.000 0.261 751 D C 0.549 176.775 176.300 -0.122 0.000 1.190 751 D CA -0.405 53.558 54.000 -0.062 0.000 0.910 751 D CB 0.523 41.290 40.800 -0.054 0.000 1.097 751 D HN 0.208 nan 8.370 nan 0.000 0.522 752 F N 1.534 121.401 119.950 -0.138 0.000 2.250 752 F HA -0.106 4.425 4.527 0.006 0.000 0.301 752 F C 2.074 177.767 175.800 -0.179 0.000 1.077 752 F CA 0.868 58.769 58.000 -0.165 0.000 1.348 752 F CB -0.036 38.870 39.000 -0.158 0.000 1.040 752 F HN 0.393 nan 8.300 nan 0.000 0.509 753 N N -0.465 118.249 118.700 0.024 0.000 2.416 753 N HA -0.158 4.586 4.740 0.006 0.000 0.177 753 N C 1.683 177.158 175.510 -0.058 0.000 1.036 753 N CA 1.001 54.033 53.050 -0.030 0.000 0.901 753 N CB -0.309 38.176 38.487 -0.003 0.000 0.976 753 N HN 0.406 nan 8.380 nan 0.000 0.444 754 D N 1.236 121.593 120.400 -0.072 0.000 2.213 754 D HA 0.008 4.652 4.640 0.006 0.000 0.205 754 D C 1.997 178.230 176.300 -0.111 0.000 0.961 754 D CA 0.200 54.155 54.000 -0.076 0.000 0.853 754 D CB 0.372 41.126 40.800 -0.077 0.000 0.967 754 D HN 0.154 nan 8.370 nan 0.000 0.496 755 I N 1.305 121.769 120.570 -0.178 0.000 2.113 755 I HA -0.291 3.883 4.170 0.006 0.000 0.238 755 I C 2.269 178.281 176.117 -0.175 0.000 1.070 755 I CA 0.893 62.059 61.300 -0.223 0.000 1.332 755 I CB -0.472 37.315 38.000 -0.354 0.000 1.044 755 I HN -0.009 nan 8.210 nan 0.000 0.402 756 N N 0.456 119.019 118.700 -0.229 0.000 2.149 756 N HA -0.205 4.538 4.740 0.006 0.000 0.188 756 N C 1.992 177.524 175.510 0.037 0.000 1.019 756 N CA 1.777 54.689 53.050 -0.230 0.000 0.857 756 N CB -0.486 37.633 38.487 -0.614 0.000 0.997 756 N HN 0.324 nan 8.380 nan 0.000 0.426 757 S N 1.075 116.771 115.700 -0.007 0.000 2.353 757 S HA -0.112 4.362 4.470 0.006 0.000 0.222 757 S C 1.799 176.423 174.600 0.041 0.000 1.035 757 S CA 1.224 59.446 58.200 0.036 0.000 1.025 757 S CB 0.012 63.216 63.200 0.007 0.000 0.902 757 S HN 0.246 nan 8.310 nan 0.000 0.440 758 K N 0.419 120.820 120.400 0.002 0.000 2.097 758 K HA 0.052 4.376 4.320 0.006 0.000 0.205 758 K C 2.170 178.795 176.600 0.041 0.000 1.050 758 K CA 1.405 57.697 56.287 0.008 0.000 0.938 758 K CB -0.334 32.147 32.500 -0.032 0.000 0.718 758 K HN 0.390 nan 8.250 nan 0.000 0.442 759 L N 1.040 122.269 121.223 0.009 0.000 2.046 759 L HA -0.210 4.134 4.340 0.006 0.000 0.208 759 L C 2.338 179.271 176.870 0.105 0.000 1.077 759 L CA 0.980 55.802 54.840 -0.031 0.000 0.747 759 L CB -0.571 41.383 42.059 -0.175 0.000 0.896 759 L HN 0.307 nan 8.230 nan 0.000 0.432 760 N N 0.077 118.861 118.700 0.139 0.000 2.069 760 N HA -0.239 4.505 4.740 0.006 0.000 0.191 760 N C 1.870 177.454 175.510 0.124 0.000 1.031 760 N CA 1.530 54.662 53.050 0.137 0.000 0.852 760 N CB 0.068 38.656 38.487 0.169 0.000 1.018 760 N HN 0.250 nan 8.380 nan 0.000 0.423 761 E N 0.419 120.684 120.200 0.108 0.000 2.110 761 E HA -0.070 4.284 4.350 0.006 0.000 0.193 761 E C 1.831 178.495 176.600 0.108 0.000 0.988 761 E CA 1.503 57.959 56.400 0.094 0.000 0.804 761 E CB -0.879 28.861 29.700 0.068 0.000 0.745 761 E HN 0.392 nan 8.360 nan 0.000 0.458 762 G N 0.743 109.626 108.800 0.139 0.000 2.418 762 G HA2 -0.224 3.740 3.960 0.006 0.000 0.217 762 G HA3 -0.224 3.740 3.960 0.006 0.000 0.217 762 G C 1.733 176.732 174.900 0.166 0.000 1.158 762 G CA 0.974 46.167 45.100 0.155 0.000 0.771 762 G HN 0.339 nan 8.290 nan 0.000 0.545 763 I N 0.929 121.627 120.570 0.213 0.000 2.252 763 I HA -0.158 4.015 4.170 0.006 0.000 0.245 763 I C 2.478 178.685 176.117 0.151 0.000 1.102 763 I CA 0.809 62.217 61.300 0.181 0.000 1.385 763 I CB -0.275 37.803 38.000 0.129 0.000 1.064 763 I HN 0.091 nan 8.210 nan 0.000 0.414 764 N N 0.932 119.716 118.700 0.141 0.000 2.120 764 N HA -0.200 4.543 4.740 0.006 0.000 0.188 764 N C 1.847 177.428 175.510 0.119 0.000 1.024 764 N CA 1.321 54.456 53.050 0.140 0.000 0.852 764 N CB -0.362 38.198 38.487 0.122 0.000 1.003 764 N HN 0.493 nan 8.380 nan 0.000 0.424 765 Q N 0.485 120.344 119.800 0.099 0.000 2.124 765 Q HA 0.001 4.345 4.340 0.006 0.000 0.202 765 Q C 2.110 178.158 176.000 0.081 0.000 0.977 765 Q CA 1.547 57.396 55.803 0.076 0.000 0.850 765 Q CB -0.148 28.623 28.738 0.056 0.000 0.901 765 Q HN 0.393 nan 8.270 nan 0.000 0.429 766 A N 1.038 123.919 122.820 0.103 0.000 1.898 766 A HA -0.160 4.163 4.320 0.006 0.000 0.216 766 A C 2.037 179.700 177.584 0.132 0.000 1.181 766 A CA 1.013 53.125 52.037 0.125 0.000 0.620 766 A CB -0.450 18.655 19.000 0.175 0.000 0.819 766 A HN 0.236 nan 8.150 nan 0.000 0.442 767 I N 0.884 121.546 120.570 0.153 0.000 2.163 767 I HA -0.223 3.950 4.170 0.006 0.000 0.243 767 I C 1.769 177.961 176.117 0.126 0.000 1.085 767 I CA 1.704 63.104 61.300 0.166 0.000 1.347 767 I CB -1.460 36.672 38.000 0.220 0.000 1.044 767 I HN 0.346 nan 8.210 nan 0.000 0.408 768 D N 0.778 121.243 120.400 0.108 0.000 2.144 768 D HA -0.166 4.478 4.640 0.006 0.000 0.199 768 D C 1.855 178.205 176.300 0.083 0.000 0.984 768 D CA 0.965 55.019 54.000 0.090 0.000 0.834 768 D CB -0.367 40.480 40.800 0.077 0.000 0.955 768 D HN 0.364 nan 8.370 nan 0.000 0.465 769 N N 0.926 119.669 118.700 0.072 0.000 2.058 769 N HA -0.075 4.669 4.740 0.006 0.000 0.191 769 N C 2.220 177.781 175.510 0.084 0.000 1.037 769 N CA 0.483 53.565 53.050 0.054 0.000 0.848 769 N CB -0.350 38.142 38.487 0.009 0.000 1.021 769 N HN 0.255 nan 8.380 nan 0.000 0.422 770 I N 1.611 122.230 120.570 0.083 0.000 2.208 770 I HA -0.277 3.897 4.170 0.006 0.000 0.245 770 I C 1.597 177.809 176.117 0.159 0.000 1.097 770 I CA 0.965 62.339 61.300 0.123 0.000 1.363 770 I CB -0.276 37.788 38.000 0.106 0.000 1.051 770 I HN 0.105 nan 8.210 nan 0.000 0.413 771 N N 0.956 119.729 118.700 0.122 0.000 2.120 771 N HA -0.145 4.598 4.740 0.006 0.000 0.188 771 N C 1.547 177.116 175.510 0.098 0.000 1.024 771 N CA 1.164 54.277 53.050 0.105 0.000 0.852 771 N CB -0.586 37.959 38.487 0.096 0.000 1.003 771 N HN 0.383 nan 8.380 nan 0.000 0.424 772 N N 0.566 119.332 118.700 0.109 0.000 2.084 772 N HA -0.136 4.608 4.740 0.006 0.000 0.190 772 N C 1.674 177.252 175.510 0.114 0.000 1.030 772 N CA 0.591 53.703 53.050 0.104 0.000 0.849 772 N CB -0.609 37.938 38.487 0.100 0.000 1.012 772 N HN 0.171 nan 8.380 nan 0.000 0.423 773 F N 2.675 122.616 119.950 -0.014 0.000 2.043 773 F HA -0.176 4.348 4.527 -0.005 0.000 0.297 773 F C 2.182 177.951 175.800 -0.053 0.000 1.121 773 F CA 1.264 59.237 58.000 -0.046 0.000 1.199 773 F CB -0.434 38.510 39.000 -0.094 0.000 0.968 773 F HN -0.108 nan 8.300 nan 0.000 0.478 774 I N 0.779 121.240 120.570 -0.182 0.000 2.286 774 I HA -0.299 3.875 4.170 0.006 0.000 0.248 774 I C 2.080 177.993 176.117 -0.340 0.000 1.115 774 I CA 1.243 62.341 61.300 -0.336 0.000 1.392 774 I CB -1.680 36.294 38.000 -0.044 0.000 1.065 774 I HN 0.263 nan 8.210 nan 0.000 0.418 775 N N 1.335 119.964 118.700 -0.119 0.000 2.120 775 N HA -0.118 4.626 4.740 0.006 0.000 0.188 775 N C 2.022 177.502 175.510 -0.051 0.000 1.024 775 N CA 1.590 54.619 53.050 -0.036 0.000 0.852 775 N CB -0.658 37.868 38.487 0.065 0.000 1.003 775 N HN 0.414 nan 8.380 nan 0.000 0.424 776 G N 0.599 109.367 108.800 -0.053 0.000 2.440 776 G HA2 -0.252 3.712 3.960 0.006 0.000 0.218 776 G HA3 -0.252 3.712 3.960 0.006 0.000 0.218 776 G C 1.921 176.783 174.900 -0.063 0.000 1.154 776 G CA 1.016 46.138 45.100 0.036 0.000 0.767 776 G HN 0.356 nan 8.290 nan 0.000 0.552 777 C N 0.097 119.202 119.300 -0.325 0.000 2.413 777 C HA -0.026 4.438 4.460 0.006 0.000 0.276 777 C C 3.338 178.090 174.990 -0.397 0.000 1.248 777 C CA 1.309 60.088 59.018 -0.399 0.000 1.742 777 C CB -0.884 26.401 27.740 -0.758 0.000 2.017 777 C HN 0.481 nan 8.230 nan 0.000 0.481 778 S N 0.344 115.713 115.700 -0.551 0.000 2.356 778 S HA -0.141 4.332 4.470 0.006 0.000 0.223 778 S C 1.839 176.595 174.600 0.260 0.000 1.032 778 S CA 1.970 60.143 58.200 -0.045 0.000 1.005 778 S CB -0.205 63.072 63.200 0.128 0.000 0.867 778 S HN 0.411 nan 8.310 nan 0.000 0.449 779 V N 1.131 121.073 119.914 0.046 0.000 2.427 779 V HA -0.091 4.033 4.120 0.006 0.000 0.248 779 V C 2.663 178.444 176.094 -0.521 0.000 1.051 779 V CA 1.931 64.067 62.300 -0.275 0.000 1.048 779 V CB -1.033 30.571 31.823 -0.365 0.000 0.666 779 V HN 0.595 nan 8.190 nan 0.000 0.456 780 S N -0.998 114.519 115.700 -0.304 0.000 2.359 780 S HA -0.269 4.204 4.470 0.006 0.000 0.224 780 S C 1.998 176.525 174.600 -0.121 0.000 1.035 780 S CA 1.891 60.008 58.200 -0.138 0.000 1.018 780 S CB -0.433 62.813 63.200 0.077 0.000 0.876 780 S HN 0.666 nan 8.310 nan 0.000 0.448 781 Y N 1.294 121.533 120.300 -0.101 0.000 2.242 781 Y HA -0.045 4.501 4.550 -0.005 0.000 0.291 781 Y C 2.047 177.852 175.900 -0.158 0.000 1.137 781 Y CA 1.607 59.686 58.100 -0.035 0.000 1.181 781 Y CB -0.375 38.200 38.460 0.191 0.000 0.989 781 Y HN 0.363 nan 8.280 nan 0.000 0.527 782 L N -0.342 120.754 121.223 -0.212 0.000 1.976 782 L HA -0.253 4.091 4.340 0.006 0.000 0.209 782 L C 2.059 178.649 176.870 -0.466 0.000 1.071 782 L CA 2.006 56.505 54.840 -0.570 0.000 0.746 782 L CB -0.780 40.526 42.059 -1.256 0.000 0.890 782 L HN 0.167 nan 8.230 nan 0.000 0.432 783 M N -0.381 118.977 119.600 -0.405 0.000 2.117 783 M HA -0.164 4.320 4.480 0.006 0.000 0.262 783 M C 2.154 178.372 176.300 -0.136 0.000 1.065 783 M CA 1.774 56.933 55.300 -0.236 0.000 1.114 783 M CB -1.126 31.384 32.600 -0.150 0.000 1.361 783 M HN 0.328 nan 8.290 nan 0.000 0.408 784 K N -0.761 119.489 120.400 -0.250 0.000 2.334 784 K HA 0.056 4.380 4.320 0.006 0.000 0.195 784 K C 1.611 178.019 176.600 -0.320 0.000 1.045 784 K CA 0.298 56.383 56.287 -0.336 0.000 1.004 784 K CB 0.527 32.660 32.500 -0.612 0.000 0.837 784 K HN 0.102 nan 8.250 nan 0.000 0.510 785 K N -0.200 119.921 120.400 -0.465 0.000 2.380 785 K HA 0.282 4.606 4.320 0.006 0.000 0.198 785 K C 1.419 177.759 176.600 -0.434 0.000 1.070 785 K CA 0.434 56.370 56.287 -0.585 0.000 1.040 785 K CB 0.746 32.479 32.500 -1.277 0.000 0.903 785 K HN 0.125 nan 8.250 nan 0.000 0.549 786 M N -0.593 118.803 119.600 -0.341 0.000 2.817 786 M HA 0.154 4.638 4.480 0.006 0.000 0.228 786 M C 1.536 177.708 176.300 -0.213 0.000 1.644 786 M CA 0.131 55.292 55.300 -0.232 0.000 1.177 786 M CB 0.156 32.641 32.600 -0.191 0.000 1.302 786 M HN -0.172 nan 8.290 nan 0.000 0.565 787 I N 1.386 121.792 120.570 -0.274 0.000 2.208 787 I HA -0.161 4.013 4.170 0.006 0.000 0.245 787 I C -0.592 175.473 176.117 -0.086 0.000 1.097 787 I CA 1.955 63.106 61.300 -0.248 0.000 1.363 787 I CB -2.306 35.477 38.000 -0.362 0.000 1.051 787 I HN 0.108 nan 8.210 nan 0.000 0.413 788 P HA -0.127 nan 4.420 nan 0.000 0.215 788 P C 2.214 179.499 177.300 -0.025 0.000 1.153 788 P CA 1.211 64.314 63.100 0.006 0.000 0.853 788 P CB -0.020 31.712 31.700 0.054 0.000 0.788 789 L N -1.512 119.674 121.223 -0.061 0.000 2.191 789 L HA -0.141 4.202 4.340 0.006 0.000 0.212 789 L C 2.315 179.136 176.870 -0.082 0.000 1.103 789 L CA 1.418 56.218 54.840 -0.067 0.000 0.769 789 L CB -0.983 41.028 42.059 -0.081 0.000 0.908 789 L HN -0.004 nan 8.230 nan 0.000 0.438 790 A N -0.395 122.371 122.820 -0.091 0.000 1.898 790 A HA -0.061 4.262 4.320 0.006 0.000 0.214 790 A C 2.302 179.777 177.584 -0.181 0.000 1.183 790 A CA 0.893 52.853 52.037 -0.127 0.000 0.622 790 A CB -0.542 18.405 19.000 -0.088 0.000 0.824 790 A HN 0.137 nan 8.150 nan 0.000 0.444 791 V N 0.427 120.281 119.914 -0.099 0.000 2.332 791 V HA -0.314 3.810 4.120 0.006 0.000 0.248 791 V C 2.502 178.525 176.094 -0.118 0.000 1.055 791 V CA 2.424 64.652 62.300 -0.120 0.000 1.038 791 V CB -0.779 31.089 31.823 0.076 0.000 0.651 791 V HN 0.803 nan 8.190 nan 0.000 0.450 792 E N 0.221 120.383 120.200 -0.064 0.000 2.065 792 E HA -0.292 4.061 4.350 0.006 0.000 0.201 792 E C 2.288 178.848 176.600 -0.067 0.000 1.016 792 E CA 1.666 58.041 56.400 -0.041 0.000 0.818 792 E CB -0.048 29.633 29.700 -0.032 0.000 0.749 792 E HN 0.414 nan 8.360 nan 0.000 0.453 793 K N 0.269 120.605 120.400 -0.107 0.000 2.057 793 K HA -0.116 4.207 4.320 0.006 0.000 0.207 793 K C 2.344 178.862 176.600 -0.137 0.000 1.049 793 K CA 0.961 57.183 56.287 -0.108 0.000 0.931 793 K CB -0.436 31.986 32.500 -0.131 0.000 0.714 793 K HN 0.318 nan 8.250 nan 0.000 0.440 794 L N 0.703 121.737 121.223 -0.315 0.000 2.131 794 L HA -0.133 4.211 4.340 0.006 0.000 0.210 794 L C 2.420 179.219 176.870 -0.118 0.000 1.092 794 L CA 0.790 55.331 54.840 -0.497 0.000 0.759 794 L CB -0.417 40.760 42.059 -1.470 0.000 0.903 794 L HN 0.083 nan 8.230 nan 0.000 0.435 795 L N -0.570 120.629 121.223 -0.040 0.000 2.109 795 L HA -0.193 4.150 4.340 0.006 0.000 0.207 795 L C 2.274 179.185 176.870 0.068 0.000 1.086 795 L CA 0.995 55.908 54.840 0.121 0.000 0.760 795 L CB -0.466 41.658 42.059 0.109 0.000 0.910 795 L HN 0.287 nan 8.230 nan 0.000 0.437 796 D N 0.307 120.725 120.400 0.030 0.000 2.078 796 D HA -0.285 4.359 4.640 0.006 0.000 0.193 796 D C 2.053 178.364 176.300 0.018 0.000 0.990 796 D CA 1.364 55.374 54.000 0.018 0.000 0.827 796 D CB -0.198 40.610 40.800 0.014 0.000 0.975 796 D HN 0.165 nan 8.370 nan 0.000 0.451 797 F N 1.457 121.356 119.950 -0.086 0.000 2.063 797 F HA -0.285 4.246 4.527 0.006 0.000 0.298 797 F C 1.859 177.609 175.800 -0.082 0.000 1.105 797 F CA 2.373 60.310 58.000 -0.105 0.000 1.215 797 F CB -0.868 38.042 39.000 -0.150 0.000 0.972 797 F HN -0.057 nan 8.300 nan 0.000 0.483 798 D N 0.106 120.392 120.400 -0.191 0.000 2.137 798 D HA -0.288 4.356 4.640 0.006 0.000 0.189 798 D C 2.244 178.388 176.300 -0.260 0.000 0.998 798 D CA 1.862 55.729 54.000 -0.221 0.000 0.839 798 D CB -0.875 39.989 40.800 0.107 0.000 0.962 798 D HN 0.513 nan 8.370 nan 0.000 0.446 799 N N -0.638 117.984 118.700 -0.131 0.000 2.037 799 N HA -0.191 4.553 4.740 0.006 0.000 0.196 799 N C 1.496 176.910 175.510 -0.159 0.000 1.034 799 N CA 1.904 54.889 53.050 -0.110 0.000 0.861 799 N CB -0.036 38.417 38.487 -0.057 0.000 1.039 799 N HN 0.094 nan 8.380 nan 0.000 0.427 800 T N 1.161 115.602 114.554 -0.189 0.000 2.778 800 T HA -0.159 4.195 4.350 0.006 0.000 0.269 800 T C 1.736 176.277 174.700 -0.265 0.000 1.050 800 T CA 0.928 62.916 62.100 -0.187 0.000 1.137 800 T CB -0.171 68.604 68.868 -0.155 0.000 0.860 800 T HN 0.233 nan 8.240 nan 0.000 0.468 801 L N 0.488 121.438 121.223 -0.455 0.000 2.341 801 L HA 0.275 4.619 4.340 0.006 0.000 0.214 801 L C 2.192 178.900 176.870 -0.271 0.000 1.115 801 L CA 1.414 55.965 54.840 -0.483 0.000 0.820 801 L CB -0.323 41.211 42.059 -0.875 0.000 0.944 801 L HN 0.012 nan 8.230 nan 0.000 0.452 802 K N 0.386 120.656 120.400 -0.216 0.000 2.002 802 K HA -0.236 4.087 4.320 0.006 0.000 0.209 802 K C 2.112 178.664 176.600 -0.080 0.000 1.048 802 K CA 2.043 58.255 56.287 -0.125 0.000 0.930 802 K CB -0.067 32.374 32.500 -0.097 0.000 0.714 802 K HN 0.503 nan 8.250 nan 0.000 0.438 803 K N 0.319 120.674 120.400 -0.075 0.000 2.026 803 K HA -0.177 4.146 4.320 0.006 0.000 0.208 803 K C 2.016 178.603 176.600 -0.021 0.000 1.048 803 K CA 1.565 57.828 56.287 -0.039 0.000 0.929 803 K CB -0.599 31.879 32.500 -0.037 0.000 0.713 803 K HN 0.062 nan 8.250 nan 0.000 0.439 804 N N 1.672 120.344 118.700 -0.045 0.000 2.091 804 N HA -0.199 4.545 4.740 0.006 0.000 0.193 804 N C 1.741 177.269 175.510 0.031 0.000 1.021 804 N CA 1.636 54.676 53.050 -0.016 0.000 0.862 804 N CB -0.187 38.261 38.487 -0.066 0.000 1.018 804 N HN 0.332 nan 8.380 nan 0.000 0.429 805 L N 0.327 121.550 121.223 -0.000 0.000 2.023 805 L HA -0.079 4.264 4.340 0.006 0.000 0.205 805 L C 2.525 179.461 176.870 0.110 0.000 1.073 805 L CA 0.632 55.504 54.840 0.052 0.000 0.745 805 L CB -0.455 41.602 42.059 -0.003 0.000 0.900 805 L HN 0.156 nan 8.230 nan 0.000 0.435 806 L N -0.057 121.196 121.223 0.050 0.000 2.042 806 L HA -0.265 4.079 4.340 0.006 0.000 0.210 806 L C 2.514 179.420 176.870 0.061 0.000 1.076 806 L CA 1.414 56.282 54.840 0.046 0.000 0.749 806 L CB -0.865 41.203 42.059 0.014 0.000 0.893 806 L HN 0.457 nan 8.230 nan 0.000 0.432 807 N N 0.014 118.752 118.700 0.063 0.000 2.166 807 N HA -0.279 4.465 4.740 0.006 0.000 0.186 807 N C 2.028 177.591 175.510 0.089 0.000 1.019 807 N CA 1.542 54.628 53.050 0.060 0.000 0.856 807 N CB -0.135 38.384 38.487 0.054 0.000 0.993 807 N HN 0.341 nan 8.380 nan 0.000 0.426 808 Y N 1.706 122.009 120.300 0.005 0.000 2.114 808 Y HA -0.034 4.520 4.550 0.006 0.000 0.284 808 Y C 2.413 178.327 175.900 0.024 0.000 1.143 808 Y CA 1.576 59.682 58.100 0.010 0.000 1.135 808 Y CB -0.489 37.976 38.460 0.008 0.000 0.980 808 Y HN 0.011 nan 8.280 nan 0.000 0.499 809 I N 0.233 120.868 120.570 0.107 0.000 2.530 809 I HA -0.285 3.889 4.170 0.006 0.000 0.257 809 I C 1.902 178.010 176.117 -0.015 0.000 1.179 809 I CA 1.769 63.089 61.300 0.032 0.000 1.440 809 I CB -0.466 37.581 38.000 0.079 0.000 1.087 809 I HN 0.352 nan 8.210 nan 0.000 0.440 810 D N 1.062 121.457 120.400 -0.008 0.000 2.084 810 D HA -0.180 4.463 4.640 0.006 0.000 0.199 810 D C 2.048 178.333 176.300 -0.025 0.000 0.981 810 D CA 1.280 55.275 54.000 -0.008 0.000 0.841 810 D CB 0.034 40.836 40.800 0.004 0.000 0.997 810 D HN 0.215 nan 8.370 nan 0.000 0.454 811 E N -0.160 120.011 120.200 -0.047 0.000 2.169 811 E HA -0.203 4.151 4.350 0.006 0.000 0.202 811 E C 1.139 177.736 176.600 -0.006 0.000 1.016 811 E CA 0.926 57.301 56.400 -0.043 0.000 0.817 811 E CB -0.235 29.417 29.700 -0.080 0.000 0.736 811 E HN 0.421 nan 8.360 nan 0.000 0.462 812 N N 0.972 119.623 118.700 -0.080 0.000 2.268 812 N HA -0.017 4.726 4.740 0.006 0.000 0.204 812 N C 1.209 176.815 175.510 0.161 0.000 1.124 812 N CA 0.085 53.187 53.050 0.086 0.000 0.838 812 N CB 0.353 38.723 38.487 -0.194 0.000 0.994 812 N HN 0.277 nan 8.380 nan 0.000 0.489 813 K N 1.217 121.646 120.400 0.049 0.000 2.049 813 K HA -0.213 4.111 4.320 0.006 0.000 0.219 813 K C 1.827 178.415 176.600 -0.020 0.000 1.056 813 K CA 1.191 57.485 56.287 0.012 0.000 0.946 813 K CB -0.710 31.782 32.500 -0.013 0.000 0.723 813 K HN 0.065 nan 8.250 nan 0.000 0.453 814 L N 0.246 121.389 121.223 -0.133 0.000 1.951 814 L HA -0.241 4.102 4.340 0.006 0.000 0.222 814 L C 2.794 179.529 176.870 -0.226 0.000 1.078 814 L CA 1.905 56.574 54.840 -0.286 0.000 0.778 814 L CB -0.928 40.775 42.059 -0.593 0.000 0.893 814 L HN 0.227 nan 8.230 nan 0.000 0.436 815 Y N -0.326 119.966 120.300 -0.014 0.000 2.538 815 Y HA -0.214 4.340 4.550 0.006 0.000 0.287 815 Y C 2.263 178.169 175.900 0.010 0.000 1.157 815 Y CA 0.605 58.704 58.100 -0.002 0.000 1.338 815 Y CB -0.756 37.703 38.460 -0.003 0.000 0.970 815 Y HN 0.193 nan 8.280 nan 0.000 0.564 816 L N -1.037 120.271 121.223 0.140 0.000 2.298 816 L HA 0.108 4.452 4.340 0.006 0.000 0.209 816 L C 1.101 178.012 176.870 0.068 0.000 1.084 816 L CA 0.148 55.053 54.840 0.108 0.000 0.816 816 L CB -0.275 41.842 42.059 0.097 0.000 0.967 816 L HN 0.215 nan 8.230 nan 0.000 0.460 817 I N -0.452 120.136 120.570 0.030 0.000 4.905 817 I HA -0.318 3.856 4.170 0.006 0.000 0.040 817 I C 1.094 177.225 176.117 0.023 0.000 0.650 817 I CA 0.979 62.285 61.300 0.010 0.000 0.204 817 I CB -1.515 36.492 38.000 0.011 0.000 0.338 817 I HN 0.190 nan 8.210 nan 0.000 0.153 818 G N 0.569 109.382 108.800 0.022 0.000 3.401 818 G HA2 0.441 4.405 3.960 0.006 0.000 0.251 818 G HA3 0.441 4.405 3.960 0.006 0.000 0.251 818 G C 0.536 175.465 174.900 0.048 0.000 0.960 818 G CA 0.576 45.691 45.100 0.026 0.000 1.900 818 G HN 0.950 nan 8.290 nan 0.000 0.645 819 S N -1.861 113.887 115.700 0.080 0.000 2.456 819 S HA 0.249 4.722 4.470 0.006 0.000 0.282 819 S C 2.094 176.788 174.600 0.157 0.000 1.057 819 S CA 0.975 59.264 58.200 0.147 0.000 1.321 819 S CB -0.198 63.098 63.200 0.159 0.000 1.117 819 S HN 0.653 nan 8.310 nan 0.000 0.584 820 A N 1.689 124.569 122.820 0.100 0.000 2.104 820 A HA -0.169 4.155 4.320 0.006 0.000 0.223 820 A C 2.011 179.638 177.584 0.071 0.000 1.164 820 A CA 2.253 54.336 52.037 0.077 0.000 0.659 820 A CB -0.697 18.333 19.000 0.049 0.000 0.808 820 A HN 0.569 nan 8.150 nan 0.000 0.465 821 E N -1.570 118.682 120.200 0.087 0.000 2.075 821 E HA -0.080 4.274 4.350 0.006 0.000 0.190 821 E C 1.726 178.392 176.600 0.110 0.000 0.969 821 E CA 1.071 57.519 56.400 0.080 0.000 0.815 821 E CB -0.555 29.189 29.700 0.074 0.000 0.776 821 E HN 0.630 nan 8.360 nan 0.000 0.457 822 Y N 1.751 122.064 120.300 0.023 0.000 2.151 822 Y HA -0.199 4.355 4.550 0.007 0.000 0.284 822 Y C 1.571 177.489 175.900 0.030 0.000 1.166 822 Y CA 2.376 60.490 58.100 0.024 0.000 1.163 822 Y CB -0.127 38.348 38.460 0.026 0.000 0.974 822 Y HN 0.123 nan 8.280 nan 0.000 0.511 823 E N -0.628 119.462 120.200 -0.184 0.000 2.318 823 E HA -0.094 4.259 4.350 0.006 0.000 0.193 823 E C 1.957 178.485 176.600 -0.121 0.000 0.998 823 E CA 0.496 56.735 56.400 -0.270 0.000 0.859 823 E CB -0.028 29.610 29.700 -0.104 0.000 0.812 823 E HN 0.208 nan 8.360 nan 0.000 0.492 824 K N 1.311 121.686 120.400 -0.043 0.000 2.160 824 K HA -0.172 4.152 4.320 0.006 0.000 0.206 824 K C 2.107 178.684 176.600 -0.039 0.000 1.047 824 K CA 1.890 58.167 56.287 -0.016 0.000 0.930 824 K CB -0.093 32.412 32.500 0.008 0.000 0.720 824 K HN 0.131 nan 8.250 nan 0.000 0.450 825 S N -0.632 115.031 115.700 -0.062 0.000 2.441 825 S HA -0.015 4.459 4.470 0.006 0.000 0.224 825 S C 1.941 176.480 174.600 -0.101 0.000 1.043 825 S CA 0.484 58.648 58.200 -0.060 0.000 0.948 825 S CB -0.239 62.942 63.200 -0.031 0.000 0.810 825 S HN 0.325 nan 8.310 nan 0.000 0.504 826 K N 1.119 121.402 120.400 -0.196 0.000 2.218 826 K HA -0.069 4.255 4.320 0.006 0.000 0.205 826 K C 1.616 178.144 176.600 -0.120 0.000 1.046 826 K CA 1.482 57.639 56.287 -0.216 0.000 0.933 826 K CB -0.282 31.987 32.500 -0.385 0.000 0.728 826 K HN 0.345 nan 8.250 nan 0.000 0.454 827 V N 0.905 120.763 119.914 -0.094 0.000 2.649 827 V HA -0.114 4.010 4.120 0.006 0.000 0.248 827 V C 1.590 177.653 176.094 -0.053 0.000 1.054 827 V CA 1.563 63.828 62.300 -0.059 0.000 1.073 827 V CB -0.454 31.346 31.823 -0.038 0.000 0.699 827 V HN 0.365 nan 8.190 nan 0.000 0.463 828 N N 0.878 119.548 118.700 -0.050 0.000 2.207 828 N HA -0.119 4.625 4.740 0.006 0.000 0.182 828 N C 1.845 177.331 175.510 -0.039 0.000 1.020 828 N CA 1.174 54.199 53.050 -0.041 0.000 0.858 828 N CB -0.192 38.276 38.487 -0.032 0.000 0.991 828 N HN 0.605 nan 8.380 nan 0.000 0.427 829 K N -0.985 119.390 120.400 -0.041 0.000 2.280 829 K HA -0.169 4.155 4.320 0.006 0.000 0.202 829 K C 2.221 178.797 176.600 -0.040 0.000 1.047 829 K CA 1.585 57.851 56.287 -0.034 0.000 0.942 829 K CB -0.719 31.763 32.500 -0.029 0.000 0.739 829 K HN 0.389 nan 8.250 nan 0.000 0.457 830 Y N 1.938 122.209 120.300 -0.048 0.000 2.231 830 Y HA 0.228 4.781 4.550 0.006 0.000 0.294 830 Y C 2.085 177.944 175.900 -0.069 0.000 1.120 830 Y CA 0.571 58.639 58.100 -0.054 0.000 1.141 830 Y CB -0.503 37.929 38.460 -0.046 0.000 1.022 830 Y HN 0.001 nan 8.280 nan 0.000 0.523 831 L N 0.403 121.590 121.223 -0.060 0.000 2.711 831 L HA -0.023 4.321 4.340 0.006 0.000 0.242 831 L C 1.865 178.707 176.870 -0.047 0.000 1.153 831 L CA 0.867 55.672 54.840 -0.057 0.000 0.898 831 L CB -0.184 41.842 42.059 -0.055 0.000 1.044 831 L HN 0.358 nan 8.230 nan 0.000 0.437 832 K N 0.441 120.810 120.400 -0.052 0.000 2.157 832 K HA 0.028 4.352 4.320 0.006 0.000 0.207 832 K C 0.925 177.493 176.600 -0.053 0.000 1.030 832 K CA 0.611 56.876 56.287 -0.037 0.000 0.965 832 K CB -0.099 32.384 32.500 -0.028 0.000 0.877 832 K HN 0.160 nan 8.250 nan 0.000 0.460 833 T N 2.130 116.643 114.554 -0.069 0.000 2.751 833 T HA 0.169 4.523 4.350 0.006 0.000 0.279 833 T C 0.702 175.285 174.700 -0.194 0.000 0.941 833 T CA -0.365 61.684 62.100 -0.085 0.000 1.192 833 T CB -1.067 67.760 68.868 -0.068 0.000 0.883 833 T HN 0.284 nan 8.240 nan 0.000 0.534 834 I N 1.430 121.881 120.570 -0.199 0.000 2.440 834 I HA 0.449 4.622 4.170 0.006 0.000 0.294 834 I C 0.409 176.319 176.117 -0.345 0.000 0.995 834 I CA -1.355 59.668 61.300 -0.462 0.000 1.306 834 I CB 1.292 39.170 38.000 -0.202 0.000 1.407 834 I HN 0.602 nan 8.210 nan 0.000 0.501 835 M N 7.545 126.798 119.600 -0.579 0.000 2.303 835 M HA 0.310 4.794 4.480 0.006 0.000 0.350 835 M C -2.327 174.165 176.300 0.319 0.000 1.518 835 M CA -1.119 54.145 55.300 -0.061 0.000 1.070 835 M CB 0.260 32.882 32.600 0.036 0.000 1.910 835 M HN 0.463 nan 8.290 nan 0.000 0.458 836 P HA 0.120 nan 4.420 nan 0.000 0.275 836 P C -1.174 176.331 177.300 0.342 0.000 1.227 836 P CA -0.302 62.974 63.100 0.293 0.000 0.781 836 P CB 0.363 32.174 31.700 0.185 0.000 0.906 837 F N 2.707 122.710 119.950 0.087 0.000 2.429 837 F HA 0.348 4.880 4.527 0.008 0.000 0.348 837 F C 0.029 175.885 175.800 0.092 0.000 1.109 837 F CA 0.010 57.918 58.000 -0.154 0.000 1.232 837 F CB 0.428 39.150 39.000 -0.463 0.000 1.157 837 F HN 0.217 nan 8.300 nan 0.000 0.564 838 D N 5.431 125.270 120.400 -0.936 0.000 2.478 838 D HA 0.140 4.783 4.640 0.006 0.000 0.240 838 D C 0.307 175.977 176.300 -1.050 0.000 1.364 838 D CA -0.464 53.124 54.000 -0.686 0.000 0.987 838 D CB 0.959 41.636 40.800 -0.206 0.000 1.328 838 D HN 0.506 nan 8.370 nan 0.000 0.584 839 L N 3.398 123.691 121.223 -1.551 0.000 2.129 839 L HA -0.113 4.231 4.340 0.006 0.000 0.212 839 L C 1.936 178.593 176.870 -0.356 0.000 1.087 839 L CA 2.505 56.785 54.840 -0.933 0.000 0.757 839 L CB -0.619 40.751 42.059 -1.148 0.000 0.896 839 L HN 0.551 nan 8.230 nan 0.000 0.434 840 S N -1.529 113.986 115.700 -0.308 0.000 2.547 840 S HA -0.090 4.384 4.470 0.006 0.000 0.235 840 S C 1.830 176.308 174.600 -0.203 0.000 0.980 840 S CA 0.813 58.918 58.200 -0.158 0.000 0.941 840 S CB -0.691 62.456 63.200 -0.088 0.000 0.763 840 S HN 0.416 nan 8.310 nan 0.000 0.532 841 I N 0.208 120.574 120.570 -0.340 0.000 2.584 841 I HA 0.034 4.208 4.170 0.006 0.000 0.255 841 I C 1.355 177.084 176.117 -0.646 0.000 1.145 841 I CA 1.001 61.976 61.300 -0.541 0.000 1.462 841 I CB -1.199 36.320 38.000 -0.801 0.000 1.102 841 I HN 0.326 nan 8.210 nan 0.000 0.433 842 Y N 0.141 120.418 120.300 -0.037 0.000 2.458 842 Y HA 0.232 4.786 4.550 0.007 0.000 0.256 842 Y C 1.102 177.018 175.900 0.027 0.000 1.159 842 Y CA -0.089 58.031 58.100 0.032 0.000 1.261 842 Y CB 0.272 38.795 38.460 0.104 0.000 1.119 842 Y HN 0.012 nan 8.280 nan 0.000 0.524 843 T N -0.189 114.403 114.554 0.064 0.000 2.802 843 T HA 0.295 4.649 4.350 0.006 0.000 0.311 843 T C -0.689 174.018 174.700 0.011 0.000 1.405 843 T CA -0.623 61.515 62.100 0.063 0.000 1.016 843 T CB 0.786 69.726 68.868 0.120 0.000 1.352 843 T HN 0.244 nan 8.240 nan 0.000 0.498 844 N N 0.550 119.263 118.700 0.021 0.000 2.160 844 N HA 0.182 4.925 4.740 0.006 0.000 0.226 844 N C -0.310 175.220 175.510 0.034 0.000 1.256 844 N CA -0.498 52.558 53.050 0.009 0.000 0.890 844 N CB 0.367 38.848 38.487 -0.010 0.000 1.116 844 N HN 0.586 nan 8.380 nan 0.000 0.517 845 D N 0.826 121.260 120.400 0.057 0.000 2.434 845 D HA -0.012 4.632 4.640 0.006 0.000 0.252 845 D C 0.311 176.653 176.300 0.071 0.000 1.185 845 D CA 0.503 54.544 54.000 0.069 0.000 0.886 845 D CB 1.082 41.934 40.800 0.087 0.000 1.148 845 D HN 0.105 nan 8.370 nan 0.000 0.483 846 T N 4.913 119.504 114.554 0.062 0.000 2.720 846 T HA -0.144 4.210 4.350 0.006 0.000 0.268 846 T C 1.943 176.694 174.700 0.084 0.000 1.037 846 T CA 0.498 62.638 62.100 0.066 0.000 1.144 846 T CB 0.119 69.020 68.868 0.055 0.000 0.864 846 T HN 0.504 nan 8.240 nan 0.000 0.444 847 I N 1.061 121.682 120.570 0.085 0.000 2.179 847 I HA -0.101 4.073 4.170 0.006 0.000 0.242 847 I C 2.371 178.565 176.117 0.130 0.000 1.088 847 I CA 1.387 62.746 61.300 0.098 0.000 1.357 847 I CB -1.285 36.767 38.000 0.087 0.000 1.051 847 I HN 0.293 nan 8.210 nan 0.000 0.409 848 L N -0.018 121.288 121.223 0.138 0.000 2.046 848 L HA -0.204 4.139 4.340 0.006 0.000 0.208 848 L C 2.587 179.584 176.870 0.211 0.000 1.077 848 L CA 0.929 55.886 54.840 0.195 0.000 0.747 848 L CB -0.467 41.708 42.059 0.192 0.000 0.896 848 L HN 0.153 nan 8.230 nan 0.000 0.432 849 I N 0.189 120.854 120.570 0.158 0.000 2.179 849 I HA -0.251 3.922 4.170 0.006 0.000 0.242 849 I C 2.465 178.707 176.117 0.208 0.000 1.088 849 I CA 1.543 62.944 61.300 0.168 0.000 1.357 849 I CB -1.150 36.914 38.000 0.107 0.000 1.051 849 I HN 0.350 nan 8.210 nan 0.000 0.409 850 E N 0.457 120.752 120.200 0.158 0.000 2.097 850 E HA -0.252 4.101 4.350 0.006 0.000 0.196 850 E C 2.308 179.011 176.600 0.172 0.000 1.000 850 E CA 1.445 57.930 56.400 0.141 0.000 0.804 850 E CB -0.217 29.550 29.700 0.111 0.000 0.740 850 E HN 0.438 nan 8.360 nan 0.000 0.454 851 M N -0.200 119.523 119.600 0.204 0.000 2.080 851 M HA -0.188 4.296 4.480 0.006 0.000 0.260 851 M C 2.188 178.654 176.300 0.277 0.000 1.068 851 M CA 1.416 56.853 55.300 0.228 0.000 1.109 851 M CB -0.287 32.470 32.600 0.261 0.000 1.342 851 M HN 0.097 nan 8.290 nan 0.000 0.405 852 F N 1.513 121.537 119.950 0.124 0.000 2.102 852 F HA -0.210 4.320 4.527 0.004 0.000 0.298 852 F C 2.174 178.052 175.800 0.131 0.000 1.105 852 F CA 1.592 59.653 58.000 0.102 0.000 1.239 852 F CB -0.476 38.562 39.000 0.063 0.000 0.991 852 F HN 0.170 nan 8.300 nan 0.000 0.474 853 N N 0.573 119.367 118.700 0.156 0.000 2.166 853 N HA -0.188 4.556 4.740 0.006 0.000 0.186 853 N C 1.889 177.411 175.510 0.021 0.000 1.019 853 N CA 1.204 54.275 53.050 0.036 0.000 0.856 853 N CB -0.537 37.999 38.487 0.082 0.000 0.993 853 N HN 0.359 nan 8.380 nan 0.000 0.426 854 K N 0.275 120.722 120.400 0.078 0.000 1.991 854 K HA -0.204 4.120 4.320 0.006 0.000 0.212 854 K C 2.145 178.779 176.600 0.057 0.000 1.049 854 K CA 1.169 57.498 56.287 0.068 0.000 0.932 854 K CB -0.398 32.161 32.500 0.100 0.000 0.717 854 K HN 0.096 nan 8.250 nan 0.000 0.441 855 Y N 1.954 122.228 120.300 -0.043 0.000 2.102 855 Y HA -0.291 4.261 4.550 0.003 0.000 0.280 855 Y C 1.752 177.578 175.900 -0.123 0.000 1.178 855 Y CA 2.145 60.202 58.100 -0.071 0.000 1.146 855 Y CB -0.224 38.194 38.460 -0.070 0.000 0.968 855 Y HN 0.261 nan 8.280 nan 0.000 0.504 856 N N -0.310 118.367 118.700 -0.039 0.000 2.520 856 N HA -0.108 4.636 4.740 0.006 0.000 0.185 856 N C 1.731 177.173 175.510 -0.113 0.000 1.068 856 N CA 1.212 54.183 53.050 -0.132 0.000 0.911 856 N CB -0.311 38.021 38.487 -0.258 0.000 0.961 856 N HN 0.543 nan 8.380 nan 0.000 0.446 857 S N -0.580 115.065 115.700 -0.092 0.000 2.524 857 S HA 0.117 4.591 4.470 0.006 0.000 0.216 857 S C 0.507 175.061 174.600 -0.077 0.000 0.987 857 S CA -0.208 57.953 58.200 -0.065 0.000 0.909 857 S CB 0.081 63.259 63.200 -0.036 0.000 0.781 857 S HN 0.124 nan 8.310 nan 0.000 0.521 858 E N 1.278 121.404 120.200 -0.124 0.000 1.941 858 E HA 0.267 4.621 4.350 0.006 0.000 0.275 858 E C 0.505 177.033 176.600 -0.119 0.000 1.113 858 E CA -0.345 55.981 56.400 -0.123 0.000 0.878 858 E CB 0.769 30.371 29.700 -0.162 0.000 1.070 858 E HN 0.216 nan 8.360 nan 0.000 0.399 859 I N 3.850 124.386 120.570 -0.056 0.000 2.182 859 I HA -0.378 3.796 4.170 0.006 0.000 0.248 859 I C 1.551 177.709 176.117 0.067 0.000 1.073 859 I CA 1.722 63.024 61.300 0.003 0.000 1.335 859 I CB -0.006 37.991 38.000 -0.005 0.000 1.031 859 I HN 0.635 nan 8.210 nan 0.000 0.420 860 L N 0.260 121.500 121.223 0.028 0.000 2.349 860 L HA -0.204 4.139 4.340 0.006 0.000 0.220 860 L C 1.544 178.362 176.870 -0.086 0.000 1.130 860 L CA 0.849 55.700 54.840 0.018 0.000 0.791 860 L CB -0.977 41.073 42.059 -0.015 0.000 0.918 860 L HN 0.374 nan 8.230 nan 0.000 0.444 861 N N -0.080 118.516 118.700 -0.173 0.000 2.461 861 N HA -0.046 4.698 4.740 0.006 0.000 0.188 861 N C 0.958 176.427 175.510 -0.069 0.000 1.134 861 N CA 0.392 53.286 53.050 -0.260 0.000 0.878 861 N CB 0.019 38.058 38.487 -0.746 0.000 0.972 861 N HN 0.385 nan 8.380 nan 0.000 0.456 862 N N 0.509 119.206 118.700 -0.005 0.000 2.280 862 N HA 0.147 4.891 4.740 0.006 0.000 0.192 862 N C 0.012 175.501 175.510 -0.035 0.000 1.109 862 N CA -0.018 53.072 53.050 0.066 0.000 0.855 862 N CB 1.084 39.673 38.487 0.171 0.000 0.974 862 N HN 0.226 nan 8.380 nan 0.000 0.482 863 I N 2.486 122.938 120.570 -0.197 0.000 2.421 863 I HA 0.050 4.224 4.170 0.006 0.000 0.291 863 I C 1.651 177.701 176.117 -0.112 0.000 1.089 863 I CA 0.004 61.037 61.300 -0.444 0.000 1.354 863 I CB 0.608 38.314 38.000 -0.489 0.000 1.413 863 I HN 0.033 nan 8.210 nan 0.000 0.513 864 I N 4.656 125.137 120.570 -0.148 0.000 3.956 864 I HA 0.350 4.524 4.170 0.006 0.000 0.333 864 I C -0.272 175.857 176.117 0.021 0.000 1.302 864 I CA 0.164 61.428 61.300 -0.060 0.000 1.122 864 I CB 0.574 38.368 38.000 -0.343 0.000 1.013 864 I HN 0.391 nan 8.210 nan 0.000 0.405 865 L N 1.660 122.877 121.223 -0.009 0.000 2.641 865 L HA 0.542 4.886 4.340 0.006 0.000 0.261 865 L C -1.946 174.956 176.870 0.053 0.000 0.926 865 L CA -0.207 54.686 54.840 0.089 0.000 0.917 865 L CB 1.875 44.057 42.059 0.205 0.000 1.361 865 L HN 0.077 nan 8.230 nan 0.000 0.417 866 N N 5.137 123.890 118.700 0.087 0.000 2.581 866 N HA 0.420 5.164 4.740 0.006 0.000 0.279 866 N C -1.762 173.843 175.510 0.158 0.000 1.124 866 N CA -0.280 52.825 53.050 0.091 0.000 0.833 866 N CB 1.406 39.892 38.487 -0.001 0.000 1.338 866 N HN 0.632 nan 8.380 nan 0.000 0.533 867 L N 3.692 125.075 121.223 0.267 0.000 2.278 867 L HA 0.488 4.832 4.340 0.006 0.000 0.287 867 L C 0.516 177.549 176.870 0.271 0.000 1.072 867 L CA -0.442 54.538 54.840 0.233 0.000 0.819 867 L CB 0.439 42.642 42.059 0.239 0.000 1.176 867 L HN 0.164 nan 8.230 nan 0.000 0.435 868 R N 2.270 122.889 120.500 0.197 0.000 2.854 868 R HA 0.338 4.681 4.340 0.006 0.000 0.271 868 R C -1.066 175.360 176.300 0.211 0.000 0.994 868 R CA -1.030 55.218 56.100 0.247 0.000 0.945 868 R CB 2.014 32.434 30.300 0.199 0.000 1.194 868 R HN 0.358 nan 8.270 nan 0.000 0.476 869 Y N 1.610 121.987 120.300 0.129 0.000 2.319 869 Y HA 0.271 4.828 4.550 0.011 0.000 0.328 869 Y C -0.595 175.341 175.900 0.060 0.000 1.133 869 Y CA 0.432 58.584 58.100 0.087 0.000 1.265 869 Y CB 0.736 39.256 38.460 0.101 0.000 1.218 869 Y HN 0.154 nan 8.280 nan 0.000 0.508 870 K N 5.134 125.183 120.400 -0.585 0.000 2.575 870 K HA 0.113 4.437 4.320 0.006 0.000 0.255 870 K C -1.431 174.833 176.600 -0.560 0.000 0.953 870 K CA -0.690 55.345 56.287 -0.420 0.000 0.840 870 K CB 1.488 33.891 32.500 -0.162 0.000 1.303 870 K HN 0.896 nan 8.250 nan 0.000 0.438 871 D N 2.586 122.738 120.400 -0.412 0.000 2.802 871 D HA -0.236 4.408 4.640 0.006 0.000 0.229 871 D C 0.017 176.119 176.300 -0.329 0.000 1.203 871 D CA 0.711 54.556 54.000 -0.258 0.000 0.712 871 D CB -0.484 40.229 40.800 -0.144 0.000 0.973 871 D HN 0.784 nan 8.370 nan 0.000 0.407 872 N N 1.089 119.507 118.700 -0.471 0.000 2.678 872 N HA -0.276 4.467 4.740 0.006 0.000 0.268 872 N C -0.785 174.600 175.510 -0.209 0.000 1.010 872 N CA 1.531 54.465 53.050 -0.193 0.000 0.784 872 N CB -0.765 37.756 38.487 0.056 0.000 0.905 872 N HN 0.761 nan 8.380 nan 0.000 0.552 873 N N 0.244 118.710 118.700 -0.390 0.000 3.521 873 N HA 0.232 4.975 4.740 0.006 0.000 0.228 873 N C -1.553 173.839 175.510 -0.197 0.000 1.328 873 N CA -0.635 52.291 53.050 -0.206 0.000 0.907 873 N CB 0.860 39.238 38.487 -0.182 0.000 1.487 873 N HN 0.057 nan 8.380 nan 0.000 0.503 874 L N 3.091 124.241 121.223 -0.121 0.000 2.322 874 L HA 0.687 5.031 4.340 0.006 0.000 0.279 874 L C -0.124 176.691 176.870 -0.092 0.000 1.036 874 L CA -0.745 54.048 54.840 -0.079 0.000 0.807 874 L CB 1.312 43.293 42.059 -0.130 0.000 1.226 874 L HN 0.482 nan 8.230 nan 0.000 0.433 875 I N -1.825 118.717 120.570 -0.046 0.000 2.994 875 I HA 0.488 4.662 4.170 0.006 0.000 0.306 875 I C -1.230 174.888 176.117 0.003 0.000 1.195 875 I CA -0.951 60.325 61.300 -0.041 0.000 1.001 875 I CB 2.333 40.299 38.000 -0.055 0.000 1.244 875 I HN 0.383 nan 8.210 nan 0.000 0.437 876 D N 3.923 124.327 120.400 0.008 0.000 2.325 876 D HA 0.318 4.962 4.640 0.006 0.000 0.251 876 D C 0.056 176.359 176.300 0.006 0.000 1.196 876 D CA -0.064 53.958 54.000 0.037 0.000 0.866 876 D CB 1.059 41.893 40.800 0.057 0.000 1.101 876 D HN 0.645 nan 8.370 nan 0.000 0.476 877 L N 3.148 124.374 121.223 0.006 0.000 2.741 877 L HA 0.066 4.410 4.340 0.006 0.000 0.237 877 L C 1.921 178.751 176.870 -0.068 0.000 1.178 877 L CA -0.061 54.755 54.840 -0.040 0.000 0.973 877 L CB -0.122 41.920 42.059 -0.030 0.000 1.255 877 L HN 0.429 nan 8.230 nan 0.000 0.498 878 S N -0.698 114.979 115.700 -0.038 0.000 2.447 878 S HA -0.030 4.444 4.470 0.006 0.000 0.233 878 S C 1.693 176.191 174.600 -0.170 0.000 1.006 878 S CA 0.953 59.120 58.200 -0.055 0.000 0.957 878 S CB 0.119 63.358 63.200 0.064 0.000 0.773 878 S HN 0.552 nan 8.310 nan 0.000 0.507 879 G N -0.158 108.532 108.800 -0.183 0.000 2.213 879 G HA2 -0.259 3.705 3.960 0.006 0.000 0.226 879 G HA3 -0.259 3.705 3.960 0.006 0.000 0.226 879 G C 0.391 175.066 174.900 -0.376 0.000 0.992 879 G CA 0.195 45.108 45.100 -0.312 0.000 0.632 879 G HN 0.584 nan 8.290 nan 0.000 0.511 880 Y N 1.082 121.343 120.300 -0.066 0.000 2.461 880 Y HA 0.395 4.953 4.550 0.012 0.000 0.277 880 Y C 2.041 177.914 175.900 -0.044 0.000 1.182 880 Y CA 0.562 58.629 58.100 -0.056 0.000 1.276 880 Y CB 0.558 38.995 38.460 -0.038 0.000 1.087 880 Y HN 0.855 nan 8.280 nan 0.000 0.519 881 G N 1.277 110.105 108.800 0.046 0.000 2.338 881 G HA2 -0.222 3.742 3.960 0.006 0.000 0.296 881 G HA3 -0.222 3.742 3.960 0.006 0.000 0.296 881 G C 0.288 175.215 174.900 0.046 0.000 1.040 881 G CA 0.042 45.156 45.100 0.023 0.000 1.004 881 G HN 0.620 nan 8.290 nan 0.000 0.509 882 A N 0.113 122.975 122.820 0.071 0.000 2.498 882 A HA 0.544 4.867 4.320 0.006 0.000 0.239 882 A C 0.815 178.423 177.584 0.039 0.000 1.068 882 A CA 0.134 52.214 52.037 0.073 0.000 0.766 882 A CB 0.464 19.528 19.000 0.106 0.000 1.003 882 A HN 0.334 nan 8.150 nan 0.000 0.497 883 K N 1.741 122.160 120.400 0.032 0.000 2.312 883 K HA 0.379 4.703 4.320 0.006 0.000 0.287 883 K C -0.912 175.686 176.600 -0.004 0.000 1.062 883 K CA -0.155 56.135 56.287 0.005 0.000 0.934 883 K CB 1.160 33.663 32.500 0.004 0.000 1.027 883 K HN 0.344 nan 8.250 nan 0.000 0.478 884 V N 3.538 123.428 119.914 -0.040 0.000 2.350 884 V HA 0.177 4.301 4.120 0.006 0.000 0.285 884 V C 0.056 176.064 176.094 -0.144 0.000 1.014 884 V CA -0.820 61.433 62.300 -0.078 0.000 0.831 884 V CB 1.476 33.244 31.823 -0.091 0.000 1.000 884 V HN 0.519 nan 8.190 nan 0.000 0.433 885 E N 3.610 123.701 120.200 -0.182 0.000 2.081 885 E HA 0.391 4.744 4.350 0.006 0.000 0.276 885 E C -0.962 175.346 176.600 -0.486 0.000 0.950 885 E CA -0.324 55.862 56.400 -0.357 0.000 0.776 885 E CB 2.181 31.640 29.700 -0.401 0.000 1.094 885 E HN 0.439 nan 8.360 nan 0.000 0.402 886 V N 5.556 125.196 119.914 -0.457 0.000 2.318 886 V HA 0.211 4.335 4.120 0.006 0.000 0.271 886 V C -0.194 175.663 176.094 -0.394 0.000 1.030 886 V CA -0.683 61.399 62.300 -0.363 0.000 0.844 886 V CB -0.255 31.418 31.823 -0.249 0.000 1.015 886 V HN 0.510 nan 8.190 nan 0.000 0.460 887 Y N 1.831 122.090 120.300 -0.068 0.000 2.330 887 Y HA 0.053 4.609 4.550 0.010 0.000 0.341 887 Y C 1.611 177.489 175.900 -0.037 0.000 1.278 887 Y CA 0.082 58.155 58.100 -0.044 0.000 1.453 887 Y CB 0.426 38.866 38.460 -0.034 0.000 1.342 887 Y HN 0.621 nan 8.280 nan 0.000 0.590 888 D N 0.760 121.248 120.400 0.146 0.000 2.271 888 D HA -0.134 4.510 4.640 0.006 0.000 0.207 888 D C 1.928 178.259 176.300 0.051 0.000 0.983 888 D CA 1.632 55.675 54.000 0.071 0.000 0.878 888 D CB -0.145 40.693 40.800 0.064 0.000 0.920 888 D HN 0.798 nan 8.370 nan 0.000 0.479 889 G N -0.779 108.059 108.800 0.063 0.000 3.088 889 G HA2 0.133 4.096 3.960 0.006 0.000 0.212 889 G HA3 0.133 4.096 3.960 0.006 0.000 0.212 889 G C 0.102 175.010 174.900 0.014 0.000 1.173 889 G CA -0.146 44.971 45.100 0.028 0.000 0.779 889 G HN 0.099 nan 8.290 nan 0.000 0.540 890 V N 0.453 120.380 119.914 0.022 0.000 2.394 890 V HA 0.322 4.446 4.120 0.006 0.000 0.282 890 V C -0.130 175.974 176.094 0.016 0.000 1.031 890 V CA -1.068 61.238 62.300 0.009 0.000 0.881 890 V CB 1.892 33.710 31.823 -0.008 0.000 0.982 890 V HN 0.265 nan 8.190 nan 0.000 0.451 891 E N 4.138 124.337 120.200 -0.002 0.000 2.249 891 E HA 0.648 5.001 4.350 0.006 0.000 0.280 891 E C -1.465 175.240 176.600 0.175 0.000 1.016 891 E CA -0.493 55.936 56.400 0.049 0.000 0.830 891 E CB 1.235 30.923 29.700 -0.021 0.000 1.081 891 E HN 0.559 nan 8.360 nan 0.000 0.395 892 L N 4.022 125.379 121.223 0.224 0.000 2.431 892 L HA 0.439 4.782 4.340 0.006 0.000 0.266 892 L C -0.818 176.186 176.870 0.223 0.000 0.978 892 L CA -1.071 53.950 54.840 0.302 0.000 0.822 892 L CB 1.841 44.100 42.059 0.334 0.000 1.310 892 L HN 0.585 nan 8.230 nan 0.000 0.409 893 N N -0.911 117.841 118.700 0.087 0.000 2.380 893 N HA 0.274 5.018 4.740 0.006 0.000 0.290 893 N C -0.197 174.910 175.510 -0.672 0.000 1.236 893 N CA -0.958 51.999 53.050 -0.155 0.000 0.780 893 N CB 0.925 39.381 38.487 -0.051 0.000 1.438 893 N HN 0.519 nan 8.380 nan 0.000 0.491 894 D N -0.753 119.183 120.400 -0.775 0.000 2.379 894 D HA -0.098 4.546 4.640 0.006 0.000 0.243 894 D C 0.027 176.065 176.300 -0.435 0.000 1.088 894 D CA 0.724 54.172 54.000 -0.921 0.000 0.925 894 D CB -0.135 40.443 40.800 -0.369 0.000 0.888 894 D HN 0.631 nan 8.370 nan 0.000 0.529 895 K N 0.015 120.207 120.400 -0.347 0.000 2.397 895 K HA 0.120 4.444 4.320 0.006 0.000 0.202 895 K C 0.032 176.464 176.600 -0.281 0.000 1.022 895 K CA -0.357 55.775 56.287 -0.258 0.000 1.141 895 K CB 0.091 32.433 32.500 -0.263 0.000 0.857 895 K HN -0.053 nan 8.250 nan 0.000 0.514 896 N N 2.148 120.717 118.700 -0.219 0.000 2.741 896 N HA -0.179 4.564 4.740 0.006 0.000 0.251 896 N C -0.991 174.506 175.510 -0.022 0.000 1.112 896 N CA 1.022 54.027 53.050 -0.075 0.000 0.750 896 N CB -0.692 37.703 38.487 -0.153 0.000 1.119 896 N HN 0.474 nan 8.380 nan 0.000 0.561 897 Q N 0.205 120.026 119.800 0.034 0.000 2.241 897 Q HA 0.557 4.901 4.340 0.006 0.000 0.254 897 Q C -0.181 176.171 176.000 0.587 0.000 0.917 897 Q CA -0.413 55.551 55.803 0.269 0.000 0.919 897 Q CB 0.962 29.806 28.738 0.177 0.000 1.237 897 Q HN 0.319 nan 8.270 nan 0.000 0.434 898 F N -0.806 119.494 119.950 0.583 0.000 2.578 898 F HA 0.630 5.161 4.527 0.006 0.000 0.311 898 F C -1.150 174.754 175.800 0.173 0.000 1.094 898 F CA -1.241 56.963 58.000 0.341 0.000 0.923 898 F CB 1.502 40.609 39.000 0.179 0.000 1.230 898 F HN 0.267 nan 8.300 nan 0.000 0.450 899 K N 4.915 125.261 120.400 -0.090 0.000 2.244 899 K HA 0.639 4.963 4.320 0.006 0.000 0.260 899 K C -1.794 174.713 176.600 -0.156 0.000 0.951 899 K CA -0.678 55.247 56.287 -0.604 0.000 0.826 899 K CB 1.450 32.930 32.500 -1.699 0.000 1.108 899 K HN 0.955 nan 8.250 nan 0.000 0.433 900 L N 4.588 125.792 121.223 -0.032 0.000 2.280 900 L HA 0.310 4.654 4.340 0.006 0.000 0.287 900 L C 0.659 177.547 176.870 0.031 0.000 1.023 900 L CA -0.643 54.240 54.840 0.072 0.000 0.819 900 L CB 1.468 43.639 42.059 0.187 0.000 1.212 900 L HN 0.847 nan 8.230 nan 0.000 0.420 901 T N -1.740 112.816 114.554 0.003 0.000 2.892 901 T HA 0.203 4.557 4.350 0.006 0.000 0.280 901 T C 1.081 175.789 174.700 0.013 0.000 1.004 901 T CA -0.014 62.096 62.100 0.016 0.000 0.950 901 T CB 1.385 70.233 68.868 -0.033 0.000 1.309 901 T HN 0.511 nan 8.240 nan 0.000 0.592 902 S N -0.641 115.060 115.700 0.002 0.000 2.593 902 S HA 0.214 4.688 4.470 0.006 0.000 0.217 902 S C 0.605 175.192 174.600 -0.021 0.000 0.966 902 S CA -0.665 57.522 58.200 -0.022 0.000 0.914 902 S CB -0.575 62.605 63.200 -0.033 0.000 0.776 902 S HN 0.570 nan 8.310 nan 0.000 0.523 903 S N 1.387 117.078 115.700 -0.015 0.000 2.584 903 S HA 0.632 5.105 4.470 0.006 0.000 0.273 903 S C 1.467 176.055 174.600 -0.021 0.000 1.311 903 S CA -0.184 58.005 58.200 -0.018 0.000 1.034 903 S CB 1.259 64.450 63.200 -0.016 0.000 0.939 903 S HN 0.532 nan 8.310 nan 0.000 0.513 904 A N 2.713 125.514 122.820 -0.032 0.000 1.933 904 A HA -0.154 4.170 4.320 0.006 0.000 0.218 904 A C 1.787 179.330 177.584 -0.068 0.000 1.175 904 A CA 1.681 53.688 52.037 -0.050 0.000 0.628 904 A CB -0.654 18.311 19.000 -0.058 0.000 0.814 904 A HN 0.861 nan 8.150 nan 0.000 0.444 905 N N -0.247 118.424 118.700 -0.049 0.000 2.449 905 N HA 0.010 4.753 4.740 0.006 0.000 0.191 905 N C 0.248 175.777 175.510 0.032 0.000 1.161 905 N CA 0.888 53.914 53.050 -0.039 0.000 0.863 905 N CB -0.420 38.064 38.487 -0.005 0.000 0.980 905 N HN 0.167 nan 8.380 nan 0.000 0.458 906 S N 0.342 116.054 115.700 0.020 0.000 3.489 906 S HA 0.269 4.743 4.470 0.006 0.000 0.227 906 S C -0.473 174.170 174.600 0.071 0.000 1.360 906 S CA -0.787 57.440 58.200 0.045 0.000 0.934 906 S CB -0.558 62.654 63.200 0.020 0.000 1.410 906 S HN 0.530 nan 8.310 nan 0.000 0.483 907 K N 2.177 122.651 120.400 0.123 0.000 2.579 907 K HA 0.595 4.918 4.320 0.006 0.000 0.284 907 K C -1.680 175.056 176.600 0.228 0.000 0.990 907 K CA -1.031 55.351 56.287 0.157 0.000 0.880 907 K CB 0.955 33.517 32.500 0.103 0.000 1.488 907 K HN 0.317 nan 8.250 nan 0.000 0.425 908 I N 0.916 121.587 120.570 0.169 0.000 2.582 908 I HA 0.436 4.609 4.170 0.006 0.000 0.292 908 I C -0.768 175.460 176.117 0.184 0.000 1.066 908 I CA -0.896 60.427 61.300 0.039 0.000 1.053 908 I CB 2.283 40.072 38.000 -0.351 0.000 1.241 908 I HN 0.571 nan 8.210 nan 0.000 0.421 909 R N 5.653 126.240 120.500 0.144 0.000 2.393 909 R HA 0.705 5.049 4.340 0.006 0.000 0.315 909 R C -1.915 174.442 176.300 0.095 0.000 0.952 909 R CA -0.450 55.749 56.100 0.164 0.000 0.842 909 R CB 1.720 32.149 30.300 0.216 0.000 1.163 909 R HN 0.472 nan 8.270 nan 0.000 0.450 910 V N 4.154 124.152 119.914 0.140 0.000 2.350 910 V HA 0.257 4.381 4.120 0.006 0.000 0.285 910 V C -0.244 175.920 176.094 0.116 0.000 1.014 910 V CA -0.608 61.771 62.300 0.132 0.000 0.831 910 V CB 1.824 33.786 31.823 0.232 0.000 1.000 910 V HN 0.786 nan 8.190 nan 0.000 0.433 911 T N 5.877 120.481 114.554 0.084 0.000 2.747 911 T HA 0.302 4.656 4.350 0.006 0.000 0.301 911 T C 0.156 174.910 174.700 0.090 0.000 0.952 911 T CA -0.257 61.888 62.100 0.074 0.000 0.983 911 T CB 0.355 69.253 68.868 0.049 0.000 0.930 911 T HN 0.647 nan 8.240 nan 0.000 0.494 912 Q N 2.371 122.240 119.800 0.115 0.000 2.443 912 Q HA 0.160 4.504 4.340 0.006 0.000 0.232 912 Q C 0.492 176.549 176.000 0.096 0.000 1.026 912 Q CA -0.587 55.293 55.803 0.130 0.000 0.924 912 Q CB 0.607 29.458 28.738 0.187 0.000 1.256 912 Q HN 0.457 nan 8.270 nan 0.000 0.519 913 N N 1.447 120.197 118.700 0.083 0.000 2.420 913 N HA -0.050 4.694 4.740 0.006 0.000 0.262 913 N C 0.225 175.771 175.510 0.059 0.000 1.144 913 N CA 0.168 53.253 53.050 0.059 0.000 0.952 913 N CB 0.847 39.362 38.487 0.046 0.000 1.081 913 N HN 0.443 nan 8.380 nan 0.000 0.480 914 Q N 1.791 121.627 119.800 0.061 0.000 2.472 914 Q HA 0.063 4.407 4.340 0.006 0.000 0.208 914 Q C -0.210 175.832 176.000 0.071 0.000 0.958 914 Q CA 0.626 56.471 55.803 0.070 0.000 0.932 914 Q CB 0.102 28.873 28.738 0.055 0.000 1.007 914 Q HN 0.545 nan 8.270 nan 0.000 0.508 915 N N 0.738 119.470 118.700 0.053 0.000 2.451 915 N HA 0.220 4.964 4.740 0.006 0.000 0.264 915 N C -0.264 175.277 175.510 0.051 0.000 1.167 915 N CA 0.129 53.216 53.050 0.062 0.000 0.898 915 N CB 0.733 39.247 38.487 0.044 0.000 1.176 915 N HN 0.222 nan 8.380 nan 0.000 0.507 916 I N 0.514 121.099 120.570 0.025 0.000 2.509 916 I HA 0.356 4.530 4.170 0.006 0.000 0.293 916 I C 0.445 176.609 176.117 0.079 0.000 1.020 916 I CA -0.894 60.381 61.300 -0.042 0.000 1.088 916 I CB 2.274 40.093 38.000 -0.302 0.000 1.267 916 I HN -0.181 nan 8.210 nan 0.000 0.430 917 I N 6.006 126.642 120.570 0.110 0.000 2.755 917 I HA -0.077 4.097 4.170 0.006 0.000 0.303 917 I C 0.595 176.828 176.117 0.193 0.000 1.168 917 I CA 1.036 62.436 61.300 0.166 0.000 1.588 917 I CB -0.278 37.831 38.000 0.181 0.000 1.509 917 I HN 0.703 nan 8.210 nan 0.000 0.734 918 F N 5.542 125.491 119.950 -0.002 0.000 2.619 918 F HA 0.080 4.611 4.527 0.008 0.000 0.281 918 F C 1.364 177.128 175.800 -0.060 0.000 1.065 918 F CA -0.466 57.510 58.000 -0.040 0.000 1.304 918 F CB 0.539 39.506 39.000 -0.056 0.000 1.059 918 F HN 0.460 nan 8.300 nan 0.000 0.648 919 N N 1.880 120.613 118.700 0.056 0.000 3.243 919 N HA -0.056 4.688 4.740 0.006 0.000 0.310 919 N C 0.781 176.305 175.510 0.024 0.000 1.313 919 N CA 0.652 53.659 53.050 -0.072 0.000 1.204 919 N CB -0.142 38.304 38.487 -0.069 0.000 1.483 919 N HN 0.228 nan 8.380 nan 0.000 0.553 920 S N -1.135 114.606 115.700 0.068 0.000 2.571 920 S HA -0.108 4.366 4.470 0.006 0.000 0.245 920 S C 1.205 175.929 174.600 0.206 0.000 0.976 920 S CA 0.405 58.700 58.200 0.159 0.000 0.954 920 S CB -0.540 62.798 63.200 0.230 0.000 0.756 920 S HN 0.286 nan 8.310 nan 0.000 0.535 921 V N -1.078 118.899 119.914 0.104 0.000 0.382 921 V HA -0.328 3.796 4.120 0.006 0.000 0.092 921 V C 1.128 177.329 176.094 0.177 0.000 2.752 921 V CA 2.041 64.411 62.300 0.117 0.000 3.819 921 V CB -2.224 29.676 31.823 0.128 0.000 1.073 921 V HN 0.822 nan 8.190 nan 0.000 1.130 922 F N 0.142 120.105 119.950 0.022 0.000 2.678 922 F HA 0.778 5.309 4.527 0.006 0.000 0.305 922 F C 0.199 176.031 175.800 0.055 0.000 1.090 922 F CA -0.228 57.792 58.000 0.034 0.000 1.272 922 F CB 0.709 39.733 39.000 0.039 0.000 1.060 922 F HN 0.520 nan 8.300 nan 0.000 0.576 923 L N 2.288 123.202 121.223 -0.515 0.000 2.216 923 L HA -0.059 4.285 4.340 0.006 0.000 0.621 923 L C -1.733 174.748 176.870 -0.647 0.000 1.001 923 L CA 0.295 54.881 54.840 -0.422 0.000 1.319 923 L CB -1.178 40.799 42.059 -0.137 0.000 2.034 923 L HN 0.633 nan 8.230 nan 0.000 0.989 924 D N 5.832 125.995 120.400 -0.395 0.000 2.323 924 D HA 0.676 5.320 4.640 0.006 0.000 0.242 924 D C -0.857 175.586 176.300 0.238 0.000 1.347 924 D CA 0.467 54.345 54.000 -0.204 0.000 0.988 924 D CB 0.499 41.047 40.800 -0.419 0.000 1.314 924 D HN 0.597 nan 8.370 nan 0.000 0.564 925 F N -0.013 119.917 119.950 -0.033 0.000 2.744 925 F HA 0.728 5.258 4.527 0.005 0.000 0.311 925 F C -1.681 174.066 175.800 -0.088 0.000 1.144 925 F CA -0.846 57.161 58.000 0.012 0.000 0.938 925 F CB 1.071 40.188 39.000 0.194 0.000 1.292 925 F HN 0.052 nan 8.300 nan 0.000 0.444 926 S N 1.128 116.591 115.700 -0.394 0.000 2.599 926 S HA 0.863 5.337 4.470 0.006 0.000 0.294 926 S C -1.379 172.923 174.600 -0.496 0.000 1.094 926 S CA -0.817 57.033 58.200 -0.584 0.000 0.931 926 S CB 2.232 65.161 63.200 -0.453 0.000 1.093 926 S HN 0.630 nan 8.310 nan 0.000 0.488 927 V N 2.220 121.780 119.914 -0.590 0.000 2.686 927 V HA 0.775 4.899 4.120 0.006 0.000 0.306 927 V C -0.565 175.332 176.094 -0.328 0.000 1.065 927 V CA -0.609 61.436 62.300 -0.424 0.000 0.894 927 V CB 1.774 33.296 31.823 -0.502 0.000 1.004 927 V HN 1.005 nan 8.190 nan 0.000 0.424 928 S N 4.322 119.908 115.700 -0.191 0.000 2.569 928 S HA 1.011 5.484 4.470 0.006 0.000 0.280 928 S C -1.025 173.632 174.600 0.095 0.000 1.111 928 S CA -0.667 57.395 58.200 -0.230 0.000 0.887 928 S CB 2.559 65.680 63.200 -0.132 0.000 1.095 928 S HN 1.459 nan 8.310 nan 0.000 0.476 929 F N -2.649 117.294 119.950 -0.012 0.000 2.829 929 F HA 0.742 5.272 4.527 0.005 0.000 0.319 929 F C -2.498 173.501 175.800 0.333 0.000 1.153 929 F CA -1.681 56.529 58.000 0.350 0.000 0.912 929 F CB 0.088 39.373 39.000 0.475 0.000 1.292 929 F HN 0.650 nan 8.300 nan 0.000 0.447 930 W N 2.771 124.449 121.300 0.629 0.000 2.512 930 W HA 0.819 5.482 4.660 0.006 0.000 0.335 930 W C -0.719 176.224 176.519 0.707 0.000 1.088 930 W CA -0.857 56.823 57.345 0.560 0.000 1.236 930 W CB 1.767 31.475 29.460 0.414 0.000 1.307 930 W HN 0.718 nan 8.180 nan 0.000 0.567 931 I N 1.978 122.947 120.570 0.665 0.000 2.827 931 I HA 0.486 4.659 4.170 0.006 0.000 0.298 931 I C -1.177 174.867 176.117 -0.122 0.000 1.235 931 I CA -1.374 60.119 61.300 0.321 0.000 1.021 931 I CB 2.021 40.155 38.000 0.223 0.000 1.259 931 I HN 0.450 nan 8.210 nan 0.000 0.427 932 R N 7.312 127.600 120.500 -0.354 0.000 2.435 932 R HA 0.605 4.949 4.340 0.006 0.000 0.308 932 R C -1.804 174.451 176.300 -0.075 0.000 0.975 932 R CA -0.451 55.410 56.100 -0.399 0.000 0.867 932 R CB 1.123 30.799 30.300 -1.041 0.000 1.171 932 R HN 0.550 nan 8.270 nan 0.000 0.470 933 I N 7.023 127.636 120.570 0.073 0.000 2.312 933 I HA 0.361 4.535 4.170 0.006 0.000 0.290 933 I C -1.794 174.368 176.117 0.075 0.000 1.008 933 I CA -2.420 58.956 61.300 0.127 0.000 1.226 933 I CB 1.600 39.793 38.000 0.321 0.000 1.371 933 I HN 0.419 nan 8.210 nan 0.000 0.468 934 P HA -0.026 nan 4.420 nan 0.000 0.268 934 P C -0.543 176.693 177.300 -0.106 0.000 1.208 934 P CA -0.281 62.692 63.100 -0.213 0.000 0.777 934 P CB 0.900 32.212 31.700 -0.645 0.000 0.875 935 K N 2.120 122.386 120.400 -0.223 0.000 2.336 935 K HA 0.017 4.340 4.320 0.006 0.000 0.262 935 K C -0.055 176.175 176.600 -0.616 0.000 0.992 935 K CA -0.300 55.666 56.287 -0.535 0.000 0.927 935 K CB -0.002 31.883 32.500 -1.025 0.000 0.956 935 K HN 0.397 nan 8.250 nan 0.000 0.495 936 Y N 0.596 120.575 120.300 -0.535 0.000 2.336 936 Y HA 0.257 4.811 4.550 0.006 0.000 0.331 936 Y C -0.199 175.426 175.900 -0.460 0.000 1.211 936 Y CA -1.079 56.583 58.100 -0.729 0.000 1.346 936 Y CB 0.315 37.849 38.460 -1.543 0.000 1.271 936 Y HN 0.186 nan 8.280 nan 0.000 0.538 937 K N 3.295 123.619 120.400 -0.127 0.000 2.383 937 K HA 0.041 4.365 4.320 0.006 0.000 0.286 937 K C 0.397 177.025 176.600 0.048 0.000 1.051 937 K CA -0.033 56.212 56.287 -0.071 0.000 0.974 937 K CB 0.552 33.037 32.500 -0.025 0.000 0.968 937 K HN 0.794 nan 8.250 nan 0.000 0.475 938 N N 2.314 121.061 118.700 0.079 0.000 2.094 938 N HA -0.212 4.532 4.740 0.006 0.000 0.191 938 N C 0.785 176.369 175.510 0.123 0.000 1.023 938 N CA 1.756 54.911 53.050 0.175 0.000 0.857 938 N CB -0.055 38.591 38.487 0.266 0.000 1.013 938 N HN 0.625 nan 8.380 nan 0.000 0.426 939 D N -1.506 118.946 120.400 0.087 0.000 2.349 939 D HA 0.059 4.702 4.640 0.006 0.000 0.224 939 D C 0.999 177.326 176.300 0.046 0.000 1.029 939 D CA 0.386 54.427 54.000 0.068 0.000 0.879 939 D CB -0.545 40.288 40.800 0.054 0.000 0.906 939 D HN 0.199 nan 8.370 nan 0.000 0.528 940 G N 0.041 108.864 108.800 0.039 0.000 4.250 940 G HA2 0.172 4.136 3.960 0.006 0.000 0.295 940 G HA3 0.172 4.136 3.960 0.006 0.000 0.295 940 G C 0.704 175.624 174.900 0.033 0.000 1.081 940 G CA -0.376 44.745 45.100 0.035 0.000 0.854 940 G HN 0.160 nan 8.290 nan 0.000 0.524 941 I N 0.009 120.575 120.570 -0.007 0.000 2.315 941 I HA -0.100 4.073 4.170 0.006 0.000 0.248 941 I C 2.411 178.497 176.117 -0.052 0.000 1.117 941 I CA 1.387 62.638 61.300 -0.082 0.000 1.404 941 I CB 0.175 38.072 38.000 -0.172 0.000 1.071 941 I HN 0.110 nan 8.210 nan 0.000 0.419 942 Q N 0.656 120.429 119.800 -0.044 0.000 2.030 942 Q HA -0.202 4.142 4.340 0.006 0.000 0.204 942 Q C 2.092 178.086 176.000 -0.010 0.000 0.986 942 Q CA 1.792 57.553 55.803 -0.070 0.000 0.843 942 Q CB -0.812 27.904 28.738 -0.037 0.000 0.904 942 Q HN 0.586 nan 8.270 nan 0.000 0.420 943 N N 0.016 118.738 118.700 0.038 0.000 2.166 943 N HA -0.171 4.573 4.740 0.006 0.000 0.186 943 N C 1.739 177.312 175.510 0.105 0.000 1.019 943 N CA 0.926 54.021 53.050 0.075 0.000 0.856 943 N CB -0.490 38.033 38.487 0.060 0.000 0.993 943 N HN 0.324 nan 8.380 nan 0.000 0.426 944 Y N 2.251 122.534 120.300 -0.028 0.000 2.165 944 Y HA -0.201 4.353 4.550 0.006 0.000 0.286 944 Y C 2.097 177.962 175.900 -0.058 0.000 1.155 944 Y CA 1.641 59.731 58.100 -0.017 0.000 1.164 944 Y CB -0.215 38.240 38.460 -0.008 0.000 0.978 944 Y HN 0.057 nan 8.280 nan 0.000 0.513 945 I N -2.624 117.928 120.570 -0.030 0.000 3.226 945 I HA 0.062 4.236 4.170 0.006 0.000 0.277 945 I C 1.914 177.939 176.117 -0.153 0.000 1.243 945 I CA 1.543 62.725 61.300 -0.197 0.000 1.459 945 I CB -0.806 37.017 38.000 -0.295 0.000 1.093 945 I HN 0.135 nan 8.210 nan 0.000 0.453 946 H N 0.994 119.969 119.070 -0.158 0.000 2.418 946 H HA 0.310 4.870 4.556 0.006 0.000 0.300 946 H C 0.295 175.567 175.328 -0.094 0.000 1.041 946 H CA 0.375 56.350 56.048 -0.122 0.000 1.364 946 H CB 0.231 29.939 29.762 -0.090 0.000 1.439 946 H HN 0.217 nan 8.280 nan 0.000 0.540 947 N N 2.065 120.721 118.700 -0.075 0.000 2.430 947 N HA 0.037 4.781 4.740 0.006 0.000 0.265 947 N C -0.661 174.825 175.510 -0.040 0.000 1.100 947 N CA -0.003 53.005 53.050 -0.070 0.000 0.961 947 N CB 1.261 39.768 38.487 0.034 0.000 1.075 947 N HN 0.531 nan 8.380 nan 0.000 0.478 948 E N 2.464 122.613 120.200 -0.086 0.000 2.191 948 E HA 0.285 4.639 4.350 0.006 0.000 0.278 948 E C -1.280 175.337 176.600 0.029 0.000 0.972 948 E CA -0.703 55.637 56.400 -0.100 0.000 0.804 948 E CB 0.716 30.313 29.700 -0.172 0.000 1.110 948 E HN 0.545 nan 8.360 nan 0.000 0.394 949 Y N -0.077 120.170 120.300 -0.087 0.000 2.457 949 Y HA 0.441 4.995 4.550 0.006 0.000 0.343 949 Y C -0.612 175.264 175.900 -0.041 0.000 0.994 949 Y CA -1.169 56.895 58.100 -0.059 0.000 1.031 949 Y CB 1.097 39.529 38.460 -0.046 0.000 1.246 949 Y HN 0.152 nan 8.280 nan 0.000 0.449 950 T N 4.504 119.073 114.554 0.025 0.000 2.913 950 T HA 0.292 4.646 4.350 0.006 0.000 0.297 950 T C 1.179 175.904 174.700 0.041 0.000 1.029 950 T CA 0.120 62.202 62.100 -0.031 0.000 1.104 950 T CB 0.699 69.544 68.868 -0.039 0.000 0.964 950 T HN 0.827 nan 8.240 nan 0.000 0.532 951 I N -0.770 119.797 120.570 -0.005 0.000 4.197 951 I HA 0.494 4.668 4.170 0.006 0.000 0.307 951 I C -0.114 175.970 176.117 -0.055 0.000 1.236 951 I CA 0.016 61.345 61.300 0.047 0.000 1.321 951 I CB 0.578 38.625 38.000 0.078 0.000 1.309 951 I HN 0.344 nan 8.210 nan 0.000 0.450 952 I N 2.592 123.076 120.570 -0.142 0.000 2.478 952 I HA 0.370 4.543 4.170 0.006 0.000 0.287 952 I C -1.195 174.752 176.117 -0.283 0.000 1.042 952 I CA -0.335 60.748 61.300 -0.361 0.000 1.067 952 I CB 1.836 39.571 38.000 -0.442 0.000 1.233 952 I HN 0.210 nan 8.210 nan 0.000 0.431 953 N N 5.529 124.004 118.700 -0.374 0.000 2.346 953 N HA 0.435 5.179 4.740 0.006 0.000 0.289 953 N C -1.746 173.433 175.510 -0.552 0.000 1.027 953 N CA -0.352 52.465 53.050 -0.389 0.000 0.864 953 N CB 2.447 40.788 38.487 -0.243 0.000 1.370 953 N HN 0.633 nan 8.380 nan 0.000 0.481 954 C N 6.960 125.775 119.300 -0.808 0.000 2.653 954 C HA 0.574 5.038 4.460 0.006 0.000 0.291 954 C C -1.017 173.613 174.990 -0.601 0.000 1.064 954 C CA -0.477 58.018 59.018 -0.871 0.000 1.469 954 C CB -0.794 25.890 27.740 -1.759 0.000 1.861 954 C HN 0.644 nan 8.230 nan 0.000 0.434 955 M N 3.969 123.363 119.600 -0.344 0.000 2.591 955 M HA 0.576 5.059 4.480 0.006 0.000 0.306 955 M C -0.862 175.344 176.300 -0.156 0.000 1.190 955 M CA -0.401 54.759 55.300 -0.234 0.000 0.889 955 M CB 2.161 34.647 32.600 -0.190 0.000 1.728 955 M HN 0.643 nan 8.290 nan 0.000 0.458 956 K N 2.028 122.354 120.400 -0.124 0.000 2.616 956 K HA 0.306 4.629 4.320 0.006 0.000 0.255 956 K C -0.902 175.652 176.600 -0.076 0.000 0.995 956 K CA -0.199 56.035 56.287 -0.088 0.000 0.860 956 K CB 0.775 33.229 32.500 -0.076 0.000 1.264 956 K HN 0.756 nan 8.250 nan 0.000 0.451 957 N N 4.172 122.834 118.700 -0.063 0.000 2.758 957 N HA -0.197 4.547 4.740 0.006 0.000 0.248 957 N C -0.972 174.503 175.510 -0.058 0.000 1.076 957 N CA 1.168 54.185 53.050 -0.054 0.000 0.696 957 N CB -1.106 37.353 38.487 -0.048 0.000 0.979 957 N HN 0.980 nan 8.380 nan 0.000 0.550 958 N N -1.967 116.693 118.700 -0.067 0.000 2.714 958 N HA -0.202 4.542 4.740 0.006 0.000 0.250 958 N C -0.459 175.008 175.510 -0.072 0.000 1.117 958 N CA 1.573 54.582 53.050 -0.068 0.000 0.719 958 N CB -0.909 37.546 38.487 -0.054 0.000 1.081 958 N HN 0.614 nan 8.380 nan 0.000 0.557 959 S N -1.468 114.183 115.700 -0.083 0.000 2.570 959 S HA 0.858 5.332 4.470 0.006 0.000 0.286 959 S C 0.225 174.759 174.600 -0.109 0.000 1.099 959 S CA 0.415 58.565 58.200 -0.083 0.000 0.913 959 S CB 2.265 65.422 63.200 -0.071 0.000 1.085 959 S HN 0.810 nan 8.310 nan 0.000 0.480 960 G N 2.201 110.943 108.800 -0.096 0.000 2.339 960 G HA2 0.196 4.160 3.960 0.006 0.000 0.275 960 G HA3 0.196 4.160 3.960 0.006 0.000 0.275 960 G C -1.722 173.147 174.900 -0.052 0.000 1.323 960 G CA -0.223 44.809 45.100 -0.114 0.000 0.927 960 G HN 0.974 nan 8.290 nan 0.000 0.486 961 W N -0.019 121.192 121.300 -0.148 0.000 2.820 961 W HA 0.894 5.556 4.660 0.004 0.000 0.350 961 W C -0.710 175.627 176.519 -0.302 0.000 1.116 961 W CA -1.221 55.927 57.345 -0.329 0.000 1.146 961 W CB 1.791 31.054 29.460 -0.328 0.000 1.433 961 W HN 0.844 nan 8.180 nan 0.000 0.561 962 K N 1.295 121.587 120.400 -0.180 0.000 2.542 962 K HA 0.580 4.904 4.320 0.006 0.000 0.259 962 K C -1.982 174.641 176.600 0.037 0.000 0.932 962 K CA -0.662 55.560 56.287 -0.108 0.000 0.820 962 K CB 2.538 34.939 32.500 -0.165 0.000 1.345 962 K HN 0.630 nan 8.250 nan 0.000 0.432 963 I N 3.134 123.806 120.570 0.170 0.000 2.406 963 I HA 0.322 4.496 4.170 0.006 0.000 0.290 963 I C -0.316 175.852 176.117 0.085 0.000 0.999 963 I CA -0.431 61.031 61.300 0.270 0.000 1.124 963 I CB 1.971 40.206 38.000 0.392 0.000 1.289 963 I HN 0.782 nan 8.210 nan 0.000 0.441 964 S N 6.386 122.114 115.700 0.046 0.000 2.720 964 S HA 0.813 5.287 4.470 0.006 0.000 0.287 964 S C -0.870 173.616 174.600 -0.189 0.000 1.168 964 S CA -0.811 57.322 58.200 -0.113 0.000 0.832 964 S CB 2.318 65.435 63.200 -0.139 0.000 1.166 964 S HN 0.437 nan 8.310 nan 0.000 0.493 965 I N 0.284 120.565 120.570 -0.482 0.000 2.722 965 I HA 0.551 4.725 4.170 0.006 0.000 0.295 965 I C -0.663 175.122 176.117 -0.554 0.000 1.161 965 I CA -0.506 60.485 61.300 -0.514 0.000 1.032 965 I CB 2.505 40.140 38.000 -0.608 0.000 1.244 965 I HN 0.711 nan 8.210 nan 0.000 0.421 966 R N 4.021 124.299 120.500 -0.370 0.000 2.545 966 R HA 0.536 4.880 4.340 0.006 0.000 0.289 966 R C 0.374 176.405 176.300 -0.448 0.000 1.327 966 R CA 0.406 56.300 56.100 -0.342 0.000 1.040 966 R CB 1.187 31.297 30.300 -0.316 0.000 1.176 966 R HN 0.953 nan 8.270 nan 0.000 0.518 967 G N 3.801 112.222 108.800 -0.632 0.000 2.602 967 G HA2 -0.448 3.516 3.960 0.006 0.000 0.310 967 G HA3 -0.448 3.516 3.960 0.006 0.000 0.310 967 G C 0.247 174.650 174.900 -0.828 0.000 1.183 967 G CA 0.525 44.778 45.100 -1.412 0.000 0.979 967 G HN 0.738 nan 8.290 nan 0.000 0.545 968 N N 1.382 119.755 118.700 -0.546 0.000 2.322 968 N HA 0.096 4.840 4.740 0.006 0.000 0.216 968 N C 0.652 175.637 175.510 -0.875 0.000 1.144 968 N CA 0.710 53.361 53.050 -0.664 0.000 0.830 968 N CB 0.396 38.563 38.487 -0.534 0.000 1.034 968 N HN 0.891 nan 8.380 nan 0.000 0.484 969 R N 0.417 120.634 120.500 -0.471 0.000 2.599 969 R HA 0.521 4.865 4.340 0.006 0.000 0.295 969 R C -1.442 174.802 176.300 -0.093 0.000 0.963 969 R CA -0.723 55.193 56.100 -0.306 0.000 0.883 969 R CB 1.462 31.552 30.300 -0.350 0.000 1.171 969 R HN 0.162 nan 8.270 nan 0.000 0.450 970 I N 5.982 126.622 120.570 0.116 0.000 2.378 970 I HA 0.413 4.587 4.170 0.006 0.000 0.291 970 I C -1.144 175.131 176.117 0.265 0.000 0.992 970 I CA -0.902 60.529 61.300 0.220 0.000 1.154 970 I CB 1.145 39.390 38.000 0.409 0.000 1.315 970 I HN 0.629 nan 8.210 nan 0.000 0.448 971 I N 7.456 128.146 120.570 0.200 0.000 2.474 971 I HA 0.328 4.502 4.170 0.006 0.000 0.294 971 I C -1.034 175.279 176.117 0.327 0.000 1.005 971 I CA -0.560 60.891 61.300 0.252 0.000 1.113 971 I CB 1.772 39.832 38.000 0.099 0.000 1.289 971 I HN 0.613 nan 8.210 nan 0.000 0.436 972 W N 6.319 127.718 121.300 0.165 0.000 2.475 972 W HA 0.562 5.226 4.660 0.005 0.000 0.317 972 W C -1.520 175.087 176.519 0.148 0.000 1.046 972 W CA -0.370 57.072 57.345 0.162 0.000 1.215 972 W CB 1.970 31.506 29.460 0.128 0.000 1.335 972 W HN 0.440 nan 8.180 nan 0.000 0.471 973 T N 6.759 121.040 114.554 -0.455 0.000 2.886 973 T HA 0.561 4.915 4.350 0.006 0.000 0.292 973 T C -0.462 173.935 174.700 -0.504 0.000 1.012 973 T CA -0.571 61.312 62.100 -0.361 0.000 0.982 973 T CB 1.953 70.720 68.868 -0.170 0.000 1.018 973 T HN 0.315 nan 8.240 nan 0.000 0.451 974 L N 3.043 124.102 121.223 -0.272 0.000 2.342 974 L HA 0.702 5.045 4.340 0.006 0.000 0.271 974 L C -0.786 176.041 176.870 -0.072 0.000 1.008 974 L CA -1.059 53.696 54.840 -0.141 0.000 0.818 974 L CB 1.846 43.900 42.059 -0.008 0.000 1.296 974 L HN 0.550 nan 8.230 nan 0.000 0.427 975 I N 1.666 122.203 120.570 -0.055 0.000 2.517 975 I HA 0.163 4.337 4.170 0.006 0.000 0.280 975 I C -0.807 175.287 176.117 -0.038 0.000 1.061 975 I CA -0.768 60.502 61.300 -0.049 0.000 1.091 975 I CB 1.642 39.601 38.000 -0.068 0.000 1.205 975 I HN 0.601 nan 8.210 nan 0.000 0.459 976 D N 5.820 126.206 120.400 -0.023 0.000 2.369 976 D HA 0.035 4.679 4.640 0.006 0.000 0.241 976 D C 1.534 177.815 176.300 -0.031 0.000 1.271 976 D CA -0.414 53.572 54.000 -0.023 0.000 0.942 976 D CB 0.900 41.695 40.800 -0.009 0.000 1.129 976 D HN 0.618 nan 8.370 nan 0.000 0.476 977 I N -2.769 117.782 120.570 -0.032 0.000 2.399 977 I HA -0.263 3.911 4.170 0.006 0.000 0.254 977 I C 0.830 176.931 176.117 -0.026 0.000 1.146 977 I CA 1.251 62.531 61.300 -0.032 0.000 1.412 977 I CB -0.581 37.401 38.000 -0.030 0.000 1.076 977 I HN 0.202 nan 8.210 nan 0.000 0.432 978 N N 1.265 119.954 118.700 -0.019 0.000 2.353 978 N HA 0.097 4.841 4.740 0.006 0.000 0.185 978 N C 1.488 176.988 175.510 -0.017 0.000 1.098 978 N CA 1.039 54.080 53.050 -0.015 0.000 0.872 978 N CB 0.916 39.398 38.487 -0.008 0.000 0.970 978 N HN 0.687 nan 8.380 nan 0.000 0.467 979 G N 1.444 110.230 108.800 -0.022 0.000 2.157 979 G HA2 -0.283 3.681 3.960 0.006 0.000 0.239 979 G HA3 -0.283 3.681 3.960 0.006 0.000 0.239 979 G C 0.127 175.014 174.900 -0.021 0.000 0.982 979 G CA -0.052 45.033 45.100 -0.025 0.000 0.650 979 G HN 0.361 nan 8.290 nan 0.000 0.527 980 K N 0.775 121.167 120.400 -0.014 0.000 2.326 980 K HA 0.517 4.841 4.320 0.006 0.000 0.275 980 K C -0.257 176.337 176.600 -0.010 0.000 1.018 980 K CA 0.393 56.676 56.287 -0.007 0.000 0.962 980 K CB 0.391 32.892 32.500 0.002 0.000 0.953 980 K HN 0.068 nan 8.250 nan 0.000 0.475 981 T N 3.715 118.265 114.554 -0.007 0.000 2.893 981 T HA 0.452 4.806 4.350 0.006 0.000 0.291 981 T C -1.302 173.402 174.700 0.006 0.000 1.028 981 T CA -0.876 61.218 62.100 -0.011 0.000 0.995 981 T CB 1.209 70.063 68.868 -0.022 0.000 1.051 981 T HN 0.394 nan 8.240 nan 0.000 0.470 982 K N 1.567 121.973 120.400 0.010 0.000 2.498 982 K HA 0.751 5.075 4.320 0.006 0.000 0.254 982 K C -1.170 175.458 176.600 0.046 0.000 0.933 982 K CA -0.745 55.566 56.287 0.040 0.000 0.806 982 K CB 2.421 34.958 32.500 0.062 0.000 1.301 982 K HN 0.583 nan 8.250 nan 0.000 0.432 983 S N 0.103 115.856 115.700 0.088 0.000 2.595 983 S HA 0.662 5.136 4.470 0.006 0.000 0.281 983 S C -1.450 173.267 174.600 0.195 0.000 1.117 983 S CA -0.763 57.519 58.200 0.137 0.000 0.873 983 S CB 2.576 65.853 63.200 0.130 0.000 1.108 983 S HN 0.320 nan 8.310 nan 0.000 0.477 984 V N 3.231 123.302 119.914 0.262 0.000 2.932 984 V HA 0.906 5.030 4.120 0.006 0.000 0.307 984 V C -2.060 174.182 176.094 0.248 0.000 1.147 984 V CA -0.740 61.655 62.300 0.159 0.000 0.951 984 V CB 1.606 33.506 31.823 0.128 0.000 1.031 984 V HN 0.883 nan 8.190 nan 0.000 0.426 985 F N 4.409 124.420 119.950 0.102 0.000 2.685 985 F HA 0.833 5.363 4.527 0.006 0.000 0.315 985 F C -1.939 173.945 175.800 0.140 0.000 1.126 985 F CA -1.522 56.547 58.000 0.115 0.000 0.950 985 F CB 1.675 40.705 39.000 0.051 0.000 1.360 985 F HN 0.493 nan 8.300 nan 0.000 0.469 986 F N 1.941 122.033 119.950 0.237 0.000 2.499 986 F HA 0.551 5.082 4.527 0.007 0.000 0.333 986 F C -0.953 174.958 175.800 0.186 0.000 1.138 986 F CA -0.666 57.393 58.000 0.097 0.000 0.945 986 F CB 1.482 40.485 39.000 0.005 0.000 1.181 986 F HN 0.787 nan 8.300 nan 0.000 0.435 987 E N 6.356 126.268 120.200 -0.480 0.000 2.187 987 E HA 0.343 4.697 4.350 0.006 0.000 0.268 987 E C -1.681 174.411 176.600 -0.847 0.000 0.896 987 E CA -0.815 55.251 56.400 -0.557 0.000 0.766 987 E CB 1.276 30.873 29.700 -0.172 0.000 1.142 987 E HN 0.616 nan 8.360 nan 0.000 0.408 988 Y N 1.782 121.688 120.300 -0.657 0.000 2.420 988 Y HA 0.474 5.028 4.550 0.006 0.000 0.334 988 Y C -0.111 175.746 175.900 -0.071 0.000 1.094 988 Y CA -1.537 56.304 58.100 -0.432 0.000 1.126 988 Y CB 0.432 38.658 38.460 -0.389 0.000 1.217 988 Y HN 0.372 nan 8.280 nan 0.000 0.462 989 N N 2.154 120.981 118.700 0.212 0.000 2.492 989 N HA 0.143 4.886 4.740 0.006 0.000 0.262 989 N C 0.090 175.787 175.510 0.312 0.000 1.202 989 N CA -0.006 53.164 53.050 0.199 0.000 0.926 989 N CB 0.342 38.941 38.487 0.187 0.000 1.078 989 N HN 0.805 nan 8.380 nan 0.000 0.454 990 I N -0.343 120.371 120.570 0.240 0.000 3.762 990 I HA 0.385 4.559 4.170 0.006 0.000 0.333 990 I C 0.214 176.471 176.117 0.233 0.000 1.566 990 I CA -0.290 61.197 61.300 0.311 0.000 1.129 990 I CB 0.285 38.441 38.000 0.259 0.000 1.218 990 I HN 0.355 nan 8.210 nan 0.000 0.456 991 R N 0.775 121.395 120.500 0.200 0.000 2.572 991 R HA 0.294 4.638 4.340 0.006 0.000 0.370 991 R C -0.286 176.124 176.300 0.183 0.000 1.005 991 R CA -0.305 55.890 56.100 0.158 0.000 1.146 991 R CB 0.692 31.050 30.300 0.098 0.000 1.390 991 R HN 0.325 nan 8.270 nan 0.000 0.553 992 E N 1.453 121.790 120.200 0.228 0.000 2.338 992 E HA -0.009 4.345 4.350 0.006 0.000 0.272 992 E C 0.126 176.874 176.600 0.246 0.000 1.029 992 E CA 0.042 56.569 56.400 0.212 0.000 0.872 992 E CB 1.024 30.853 29.700 0.215 0.000 1.015 992 E HN 0.034 nan 8.360 nan 0.000 0.417 993 D N 1.205 121.725 120.400 0.201 0.000 2.116 993 D HA -0.106 4.537 4.640 0.006 0.000 0.193 993 D C 0.530 176.976 176.300 0.243 0.000 0.998 993 D CA 1.358 55.486 54.000 0.214 0.000 0.836 993 D CB 0.324 41.221 40.800 0.162 0.000 0.951 993 D HN 0.300 nan 8.370 nan 0.000 0.449 994 I N 0.313 121.008 120.570 0.208 0.000 2.468 994 I HA 0.133 4.307 4.170 0.006 0.000 0.285 994 I C -0.045 176.160 176.117 0.147 0.000 1.039 994 I CA -0.528 60.879 61.300 0.179 0.000 1.074 994 I CB 1.639 39.768 38.000 0.215 0.000 1.228 994 I HN -0.227 nan 8.210 nan 0.000 0.436 995 S N 4.530 120.323 115.700 0.155 0.000 2.617 995 S HA 0.401 4.875 4.470 0.006 0.000 0.283 995 S C 0.709 175.258 174.600 -0.085 0.000 1.189 995 S CA -0.325 57.941 58.200 0.110 0.000 1.036 995 S CB 1.281 64.637 63.200 0.260 0.000 1.014 995 S HN 0.611 nan 8.310 nan 0.000 0.522 996 E N 1.613 121.612 120.200 -0.335 0.000 2.481 996 E HA 0.115 4.469 4.350 0.006 0.000 0.198 996 E C -0.100 176.079 176.600 -0.702 0.000 1.027 996 E CA 0.258 56.293 56.400 -0.610 0.000 0.900 996 E CB 0.256 29.441 29.700 -0.859 0.000 0.993 996 E HN 0.815 nan 8.360 nan 0.000 0.482 997 Y N -0.110 120.136 120.300 -0.089 0.000 2.701 997 Y HA 0.266 4.820 4.550 0.006 0.000 0.275 997 Y C 1.001 176.874 175.900 -0.045 0.000 1.133 997 Y CA -0.695 57.273 58.100 -0.219 0.000 1.241 997 Y CB 0.588 38.562 38.460 -0.810 0.000 1.389 997 Y HN -0.148 nan 8.280 nan 0.000 0.486 998 I N 3.263 123.941 120.570 0.180 0.000 2.769 998 I HA -0.195 3.979 4.170 0.006 0.000 0.285 998 I C 0.899 177.308 176.117 0.487 0.000 1.173 998 I CA 1.059 62.571 61.300 0.354 0.000 1.389 998 I CB -0.265 38.035 38.000 0.500 0.000 1.404 998 I HN 0.568 nan 8.210 nan 0.000 0.544 999 N N 4.294 123.210 118.700 0.360 0.000 2.800 999 N HA -0.200 4.544 4.740 0.006 0.000 0.250 999 N C -0.307 175.437 175.510 0.389 0.000 1.078 999 N CA 0.524 53.732 53.050 0.263 0.000 0.804 999 N CB -0.152 38.431 38.487 0.160 0.000 1.135 999 N HN 0.619 nan 8.380 nan 0.000 0.565 1000 R N -0.281 120.481 120.500 0.436 0.000 2.562 1000 R HA 0.241 4.585 4.340 0.006 0.000 0.298 1000 R C -0.853 175.763 176.300 0.527 0.000 0.961 1000 R CA -0.592 55.795 56.100 0.480 0.000 0.881 1000 R CB 0.708 31.242 30.300 0.392 0.000 1.159 1000 R HN 0.104 nan 8.270 nan 0.000 0.450 1001 W N 4.180 125.779 121.300 0.498 0.000 2.397 1001 W HA 0.054 4.719 4.660 0.008 0.000 0.327 1001 W C 0.081 177.062 176.519 0.770 0.000 1.421 1001 W CA 0.235 57.898 57.345 0.530 0.000 1.288 1001 W CB 0.162 29.885 29.460 0.438 0.000 1.312 1001 W HN 0.454 nan 8.180 nan 0.000 0.559 1002 F N 2.610 123.059 119.950 0.831 0.000 2.629 1002 F HA 0.671 5.202 4.527 0.007 0.000 0.316 1002 F C -1.626 174.323 175.800 0.248 0.000 1.081 1002 F CA -2.426 55.900 58.000 0.544 0.000 0.954 1002 F CB 0.886 40.135 39.000 0.415 0.000 1.337 1002 F HN 0.084 nan 8.300 nan 0.000 0.474 1003 F N 2.640 122.459 119.950 -0.219 0.000 2.415 1003 F HA 0.736 5.266 4.527 0.006 0.000 0.348 1003 F C -1.091 174.407 175.800 -0.503 0.000 1.119 1003 F CA -1.380 56.109 58.000 -0.852 0.000 1.069 1003 F CB 1.333 39.607 39.000 -1.210 0.000 1.124 1003 F HN 0.417 nan 8.300 nan 0.000 0.472 1004 V N 4.467 123.690 119.914 -1.152 0.000 2.628 1004 V HA 0.682 4.806 4.120 0.006 0.000 0.306 1004 V C -0.582 174.701 176.094 -1.352 0.000 1.045 1004 V CA -0.577 61.063 62.300 -1.100 0.000 0.905 1004 V CB 2.123 33.272 31.823 -1.123 0.000 0.997 1004 V HN 0.839 nan 8.190 nan 0.000 0.436 1005 T N 4.833 118.846 114.554 -0.901 0.000 3.172 1005 T HA 0.621 4.974 4.350 0.006 0.000 0.320 1005 T C -0.896 173.500 174.700 -0.507 0.000 1.085 1005 T CA -0.220 61.429 62.100 -0.752 0.000 1.052 1005 T CB 1.260 69.663 68.868 -0.775 0.000 1.107 1005 T HN 0.351 nan 8.240 nan 0.000 0.458 1006 I N 3.258 123.472 120.570 -0.593 0.000 2.406 1006 I HA 0.542 4.715 4.170 0.006 0.000 0.290 1006 I C 0.572 176.258 176.117 -0.718 0.000 0.999 1006 I CA -0.453 60.430 61.300 -0.695 0.000 1.124 1006 I CB 2.088 39.377 38.000 -1.185 0.000 1.289 1006 I HN 0.721 nan 8.210 nan 0.000 0.441 1007 T N 2.079 116.339 114.554 -0.489 0.000 2.912 1007 T HA 0.605 4.959 4.350 0.006 0.000 0.288 1007 T C -0.613 173.904 174.700 -0.306 0.000 1.030 1007 T CA -0.935 60.921 62.100 -0.406 0.000 1.020 1007 T CB 1.590 70.316 68.868 -0.238 0.000 1.056 1007 T HN 0.463 nan 8.240 nan 0.000 0.480 1008 N N 2.420 120.985 118.700 -0.224 0.000 2.371 1008 N HA 0.416 5.159 4.740 0.006 0.000 0.291 1008 N C -1.348 174.180 175.510 0.030 0.000 1.053 1008 N CA -0.649 52.386 53.050 -0.026 0.000 0.870 1008 N CB 2.464 41.031 38.487 0.134 0.000 1.503 1008 N HN 0.916 nan 8.380 nan 0.000 0.485 1009 N N -0.265 118.473 118.700 0.064 0.000 2.761 1009 N HA 0.294 5.038 4.740 0.006 0.000 0.283 1009 N C 1.014 176.629 175.510 0.175 0.000 1.377 1009 N CA -0.774 52.346 53.050 0.118 0.000 0.791 1009 N CB 0.305 38.892 38.487 0.165 0.000 1.540 1009 N HN 0.130 nan 8.380 nan 0.000 0.539 1010 L N -2.067 119.388 121.223 0.385 0.000 2.151 1010 L HA -0.115 4.229 4.340 0.006 0.000 0.215 1010 L C 0.919 177.907 176.870 0.195 0.000 1.084 1010 L CA 1.623 56.697 54.840 0.390 0.000 0.764 1010 L CB -1.694 40.620 42.059 0.424 0.000 0.891 1010 L HN 0.577 nan 8.230 nan 0.000 0.435 1011 N N -0.853 117.936 118.700 0.148 0.000 2.622 1011 N HA 0.092 4.836 4.740 0.006 0.000 0.213 1011 N C 0.371 175.927 175.510 0.077 0.000 1.037 1011 N CA 0.404 53.511 53.050 0.095 0.000 0.999 1011 N CB 0.062 38.591 38.487 0.070 0.000 1.342 1011 N HN 0.430 nan 8.380 nan 0.000 0.465 1012 N N 0.535 119.275 118.700 0.066 0.000 2.518 1012 N HA 0.534 5.278 4.740 0.006 0.000 0.284 1012 N C -0.926 174.616 175.510 0.053 0.000 1.230 1012 N CA -0.347 52.730 53.050 0.046 0.000 0.941 1012 N CB 1.885 40.380 38.487 0.013 0.000 1.219 1012 N HN 0.059 nan 8.380 nan 0.000 0.560 1013 A N 0.712 123.558 122.820 0.043 0.000 2.375 1013 A HA 0.466 4.790 4.320 0.006 0.000 0.291 1013 A C -0.579 176.981 177.584 -0.040 0.000 1.160 1013 A CA -0.694 51.370 52.037 0.045 0.000 0.747 1013 A CB 0.627 19.739 19.000 0.187 0.000 1.170 1013 A HN 0.517 nan 8.150 nan 0.000 0.458 1014 K N 1.953 122.287 120.400 -0.109 0.000 2.207 1014 K HA 0.716 5.040 4.320 0.006 0.000 0.255 1014 K C -1.179 175.292 176.600 -0.214 0.000 0.941 1014 K CA -0.435 55.752 56.287 -0.167 0.000 0.825 1014 K CB 2.433 34.851 32.500 -0.137 0.000 1.119 1014 K HN 0.629 nan 8.250 nan 0.000 0.430 1015 I N 3.047 123.445 120.570 -0.287 0.000 2.406 1015 I HA 0.290 4.464 4.170 0.006 0.000 0.290 1015 I C -1.155 174.723 176.117 -0.399 0.000 0.999 1015 I CA -0.897 60.243 61.300 -0.266 0.000 1.124 1015 I CB 0.924 38.819 38.000 -0.174 0.000 1.289 1015 I HN 0.465 nan 8.210 nan 0.000 0.441 1016 Y N 6.208 126.258 120.300 -0.416 0.000 2.409 1016 Y HA 0.540 5.095 4.550 0.007 0.000 0.339 1016 Y C -0.055 175.513 175.900 -0.553 0.000 1.033 1016 Y CA -0.904 56.932 58.100 -0.440 0.000 1.094 1016 Y CB 1.717 39.930 38.460 -0.411 0.000 1.210 1016 Y HN 0.221 nan 8.280 nan 0.000 0.456 1017 I N 3.488 123.798 120.570 -0.433 0.000 2.418 1017 I HA 0.195 4.369 4.170 0.006 0.000 0.287 1017 I C -0.276 175.608 176.117 -0.389 0.000 1.008 1017 I CA -1.022 59.968 61.300 -0.517 0.000 1.104 1017 I CB 1.347 38.781 38.000 -0.943 0.000 1.264 1017 I HN 0.726 nan 8.210 nan 0.000 0.438 1018 N N 5.169 123.630 118.700 -0.400 0.000 2.710 1018 N HA -0.223 4.521 4.740 0.006 0.000 0.249 1018 N C 1.179 176.139 175.510 -0.918 0.000 1.059 1018 N CA 1.360 53.912 53.050 -0.830 0.000 0.720 1018 N CB -0.905 37.285 38.487 -0.496 0.000 0.983 1018 N HN 1.148 nan 8.380 nan 0.000 0.544 1019 G N -1.145 107.378 108.800 -0.461 0.000 2.320 1019 G HA2 -0.384 3.580 3.960 0.006 0.000 0.242 1019 G HA3 -0.384 3.580 3.960 0.006 0.000 0.242 1019 G C 0.081 174.957 174.900 -0.041 0.000 1.033 1019 G CA 0.723 45.697 45.100 -0.210 0.000 0.620 1019 G HN 0.658 nan 8.290 nan 0.000 0.517 1020 K N 0.797 121.125 120.400 -0.121 0.000 2.249 1020 K HA 0.573 4.896 4.320 0.006 0.000 0.280 1020 K C 0.210 176.699 176.600 -0.186 0.000 1.033 1020 K CA -0.879 55.350 56.287 -0.096 0.000 0.946 1020 K CB 0.765 33.189 32.500 -0.126 0.000 1.005 1020 K HN 0.273 nan 8.250 nan 0.000 0.469 1021 L N 4.296 125.343 121.223 -0.293 0.000 2.410 1021 L HA 0.075 4.419 4.340 0.006 0.000 0.273 1021 L C 0.541 177.152 176.870 -0.431 0.000 1.152 1021 L CA 0.831 55.253 54.840 -0.695 0.000 0.855 1021 L CB 0.743 42.391 42.059 -0.685 0.000 1.129 1021 L HN 0.785 nan 8.230 nan 0.000 0.463 1022 E N 2.121 122.053 120.200 -0.447 0.000 2.367 1022 E HA 0.258 4.612 4.350 0.006 0.000 0.204 1022 E C -0.320 176.160 176.600 -0.200 0.000 0.840 1022 E CA 0.279 56.524 56.400 -0.259 0.000 1.051 1022 E CB 0.630 30.164 29.700 -0.278 0.000 1.051 1022 E HN 0.677 nan 8.360 nan 0.000 0.509 1023 S N 0.720 116.261 115.700 -0.264 0.000 2.541 1023 S HA 0.433 4.907 4.470 0.006 0.000 0.271 1023 S C -0.836 173.625 174.600 -0.232 0.000 1.133 1023 S CA -0.941 57.117 58.200 -0.236 0.000 0.876 1023 S CB 2.459 65.506 63.200 -0.255 0.000 1.105 1023 S HN 0.075 nan 8.310 nan 0.000 0.470 1024 N N 0.617 119.205 118.700 -0.187 0.000 2.262 1024 N HA 0.630 5.373 4.740 0.006 0.000 0.295 1024 N C -1.861 173.598 175.510 -0.086 0.000 1.161 1024 N CA -0.261 52.709 53.050 -0.134 0.000 0.767 1024 N CB 2.345 40.758 38.487 -0.123 0.000 1.499 1024 N HN 0.590 nan 8.380 nan 0.000 0.476 1025 T N 0.852 115.384 114.554 -0.037 0.000 3.032 1025 T HA 0.140 4.494 4.350 0.006 0.000 0.312 1025 T C -1.412 173.302 174.700 0.024 0.000 1.078 1025 T CA -0.684 61.416 62.100 0.001 0.000 1.028 1025 T CB 1.531 70.422 68.868 0.039 0.000 1.091 1025 T HN 0.431 nan 8.240 nan 0.000 0.457 1026 D N 3.133 123.547 120.400 0.024 0.000 2.343 1026 D HA 0.175 4.819 4.640 0.006 0.000 0.255 1026 D C 0.461 176.792 176.300 0.051 0.000 1.187 1026 D CA -0.383 53.637 54.000 0.034 0.000 0.875 1026 D CB 0.584 41.398 40.800 0.024 0.000 1.136 1026 D HN 0.659 nan 8.370 nan 0.000 0.469 1027 I N 0.908 121.517 120.570 0.066 0.000 3.158 1027 I HA 0.233 4.407 4.170 0.006 0.000 0.344 1027 I C 1.011 177.173 176.117 0.076 0.000 1.459 1027 I CA -0.820 60.527 61.300 0.078 0.000 0.956 1027 I CB 0.557 38.622 38.000 0.108 0.000 1.793 1027 I HN 0.035 nan 8.210 nan 0.000 0.522 1028 K N 1.201 121.638 120.400 0.062 0.000 2.031 1028 K HA -0.070 4.253 4.320 0.006 0.000 0.205 1028 K C 1.128 177.761 176.600 0.054 0.000 1.049 1028 K CA 1.673 57.997 56.287 0.062 0.000 0.939 1028 K CB -0.042 32.487 32.500 0.049 0.000 0.717 1028 K HN 0.452 nan 8.250 nan 0.000 0.438 1029 D N 1.385 121.811 120.400 0.044 0.000 2.106 1029 D HA -0.167 4.477 4.640 0.006 0.000 0.191 1029 D C 0.937 177.260 176.300 0.038 0.000 0.997 1029 D CA 0.770 54.791 54.000 0.036 0.000 0.834 1029 D CB -0.311 40.506 40.800 0.029 0.000 0.956 1029 D HN 0.056 nan 8.370 nan 0.000 0.448 1030 I N 2.726 123.321 120.570 0.043 0.000 3.015 1030 I HA -0.180 3.993 4.170 0.006 0.000 0.309 1030 I C 1.453 177.594 176.117 0.040 0.000 1.229 1030 I CA 0.723 62.047 61.300 0.041 0.000 1.430 1030 I CB 0.032 38.065 38.000 0.055 0.000 1.347 1030 I HN -0.026 nan 8.210 nan 0.000 0.544 1031 R N 5.113 125.629 120.500 0.026 0.000 1.664 1031 R HA 0.211 4.555 4.340 0.006 0.000 0.112 1031 R C 0.263 176.570 176.300 0.013 0.000 0.720 1031 R CA -0.595 55.518 56.100 0.023 0.000 1.864 1031 R CB -0.199 30.108 30.300 0.013 0.000 1.040 1031 R HN 0.544 nan 8.270 nan 0.000 0.700 1032 E N 1.088 121.287 120.200 -0.002 0.000 2.384 1032 E HA 0.130 4.484 4.350 0.006 0.000 0.266 1032 E C -1.030 175.544 176.600 -0.044 0.000 1.012 1032 E CA -0.058 56.327 56.400 -0.025 0.000 0.901 1032 E CB 0.701 30.383 29.700 -0.030 0.000 0.967 1032 E HN 0.046 nan 8.360 nan 0.000 0.435 1033 V N 6.966 126.834 119.914 -0.076 0.000 2.376 1033 V HA 0.247 4.370 4.120 0.006 0.000 0.287 1033 V C 0.006 175.999 176.094 -0.169 0.000 1.015 1033 V CA -0.604 61.643 62.300 -0.088 0.000 0.834 1033 V CB 1.183 32.978 31.823 -0.045 0.000 1.001 1033 V HN 0.634 nan 8.190 nan 0.000 0.428 1034 I N 4.227 124.709 120.570 -0.146 0.000 2.421 1034 I HA 0.275 4.448 4.170 0.006 0.000 0.291 1034 I C 1.176 177.171 176.117 -0.204 0.000 1.089 1034 I CA 0.302 61.488 61.300 -0.189 0.000 1.354 1034 I CB 1.149 39.074 38.000 -0.125 0.000 1.413 1034 I HN 0.717 nan 8.210 nan 0.000 0.513 1035 A N 4.840 127.426 122.820 -0.390 0.000 2.431 1035 A HA 0.085 4.409 4.320 0.006 0.000 0.239 1035 A C 1.117 178.724 177.584 0.037 0.000 1.230 1035 A CA -0.204 51.705 52.037 -0.215 0.000 0.928 1035 A CB -0.347 18.281 19.000 -0.621 0.000 1.006 1035 A HN 0.797 nan 8.150 nan 0.000 0.520 1036 N N 0.197 118.857 118.700 -0.066 0.000 2.322 1036 N HA 0.264 5.008 4.740 0.006 0.000 0.216 1036 N C 0.700 176.281 175.510 0.118 0.000 1.144 1036 N CA 0.444 53.621 53.050 0.212 0.000 0.830 1036 N CB -0.173 38.442 38.487 0.213 0.000 1.034 1036 N HN 0.173 nan 8.380 nan 0.000 0.484 1037 G N -0.294 108.527 108.800 0.036 0.000 2.588 1037 G HA2 0.102 4.066 3.960 0.006 0.000 0.278 1037 G HA3 0.102 4.066 3.960 0.006 0.000 0.278 1037 G C -0.636 174.268 174.900 0.006 0.000 1.307 1037 G CA -0.678 44.413 45.100 -0.015 0.000 1.016 1037 G HN 0.351 nan 8.290 nan 0.000 0.503 1038 E N -0.983 119.204 120.200 -0.022 0.000 2.376 1038 E HA 0.161 4.515 4.350 0.006 0.000 0.266 1038 E C -0.144 176.423 176.600 -0.055 0.000 1.009 1038 E CA -0.041 56.357 56.400 -0.003 0.000 0.902 1038 E CB 0.408 30.104 29.700 -0.007 0.000 0.972 1038 E HN 0.195 nan 8.360 nan 0.000 0.439 1039 I N 5.674 126.247 120.570 0.005 0.000 2.315 1039 I HA 0.209 4.383 4.170 0.006 0.000 0.291 1039 I C -0.258 175.851 176.117 -0.013 0.000 1.006 1039 I CA -0.598 60.657 61.300 -0.075 0.000 1.265 1039 I CB 0.889 38.936 38.000 0.079 0.000 1.387 1039 I HN 0.348 nan 8.210 nan 0.000 0.475 1040 I N 6.879 127.368 120.570 -0.136 0.000 2.355 1040 I HA 0.304 4.478 4.170 0.006 0.000 0.288 1040 I C -0.582 175.482 176.117 -0.088 0.000 0.999 1040 I CA -0.411 60.876 61.300 -0.020 0.000 1.163 1040 I CB 1.114 39.085 38.000 -0.048 0.000 1.316 1040 I HN 0.314 nan 8.210 nan 0.000 0.454 1041 F N 6.125 126.037 119.950 -0.062 0.000 2.391 1041 F HA 0.565 5.097 4.527 0.008 0.000 0.359 1041 F C 0.456 176.261 175.800 0.008 0.000 1.122 1041 F CA -0.453 57.524 58.000 -0.039 0.000 1.120 1041 F CB 0.911 39.877 39.000 -0.058 0.000 1.142 1041 F HN 0.368 nan 8.300 nan 0.000 0.483 1042 K N 3.622 124.113 120.400 0.152 0.000 2.636 1042 K HA 0.311 4.635 4.320 0.006 0.000 0.268 1042 K C -1.968 174.696 176.600 0.107 0.000 0.958 1042 K CA -0.693 55.664 56.287 0.117 0.000 0.875 1042 K CB 1.192 33.730 32.500 0.064 0.000 1.382 1042 K HN 0.557 nan 8.250 nan 0.000 0.405 1043 L N 3.218 124.508 121.223 0.112 0.000 2.433 1043 L HA 0.233 4.576 4.340 0.006 0.000 0.275 1043 L C -0.431 176.490 176.870 0.085 0.000 1.128 1043 L CA 0.084 55.008 54.840 0.140 0.000 0.875 1043 L CB 0.421 42.510 42.059 0.050 0.000 1.171 1043 L HN 0.613 nan 8.230 nan 0.000 0.463 1044 D N 2.781 123.258 120.400 0.128 0.000 2.542 1044 D HA 0.703 5.347 4.640 0.006 0.000 0.252 1044 D C -0.157 176.203 176.300 0.100 0.000 1.222 1044 D CA 0.051 54.091 54.000 0.066 0.000 0.895 1044 D CB 1.603 42.418 40.800 0.025 0.000 1.207 1044 D HN 0.678 nan 8.370 nan 0.000 0.558 1045 G N 2.580 111.415 108.800 0.059 0.000 2.343 1045 G HA2 0.135 4.098 3.960 0.006 0.000 0.289 1045 G HA3 0.135 4.098 3.960 0.006 0.000 0.289 1045 G C -1.396 173.513 174.900 0.016 0.000 1.295 1045 G CA -0.955 44.184 45.100 0.065 0.000 0.869 1045 G HN 0.372 nan 8.290 nan 0.000 0.522 1046 D N 0.778 121.187 120.400 0.015 0.000 2.563 1046 D HA 0.444 5.088 4.640 0.006 0.000 0.222 1046 D C 1.122 177.398 176.300 -0.039 0.000 1.145 1046 D CA -0.331 53.664 54.000 -0.009 0.000 1.001 1046 D CB -0.543 40.263 40.800 0.009 0.000 1.049 1046 D HN 0.615 nan 8.370 nan 0.000 0.515 1047 I N -1.895 118.614 120.570 -0.102 0.000 2.797 1047 I HA 0.466 4.640 4.170 0.006 0.000 0.310 1047 I C 0.365 176.414 176.117 -0.113 0.000 0.990 1047 I CA -0.991 60.196 61.300 -0.189 0.000 1.228 1047 I CB 1.107 38.886 38.000 -0.369 0.000 1.406 1047 I HN -0.043 nan 8.210 nan 0.000 0.534 1048 D N 2.253 122.588 120.400 -0.108 0.000 2.304 1048 D HA 0.096 4.740 4.640 0.006 0.000 0.247 1048 D C 1.074 177.342 176.300 -0.054 0.000 1.089 1048 D CA -0.459 53.509 54.000 -0.054 0.000 0.910 1048 D CB 1.374 42.157 40.800 -0.029 0.000 1.199 1048 D HN 0.737 nan 8.370 nan 0.000 0.426 1049 R N 0.787 121.271 120.500 -0.027 0.000 2.293 1049 R HA -0.092 4.251 4.340 0.006 0.000 0.219 1049 R C 1.350 177.654 176.300 0.007 0.000 1.091 1049 R CA 1.307 57.397 56.100 -0.017 0.000 1.004 1049 R CB -0.681 29.613 30.300 -0.010 0.000 0.865 1049 R HN 0.374 nan 8.270 nan 0.000 0.469 1050 T N -3.159 111.406 114.554 0.019 0.000 3.081 1050 T HA -0.025 4.328 4.350 0.006 0.000 0.250 1050 T C 0.697 175.470 174.700 0.120 0.000 1.100 1050 T CA -0.339 61.806 62.100 0.075 0.000 1.038 1050 T CB 0.160 69.068 68.868 0.068 0.000 0.962 1050 T HN 0.135 nan 8.240 nan 0.000 0.516 1051 Q N 1.839 121.644 119.800 0.008 0.000 2.300 1051 Q HA 0.464 4.808 4.340 0.006 0.000 0.280 1051 Q C -0.611 175.410 176.000 0.036 0.000 1.033 1051 Q CA -0.181 55.575 55.803 -0.079 0.000 0.903 1051 Q CB -0.046 28.550 28.738 -0.236 0.000 1.195 1051 Q HN 0.625 nan 8.270 nan 0.000 0.386 1052 F N 1.730 121.645 119.950 -0.058 0.000 2.745 1052 F HA 0.791 5.322 4.527 0.006 0.000 0.316 1052 F C -1.560 174.228 175.800 -0.020 0.000 1.155 1052 F CA -1.324 56.630 58.000 -0.076 0.000 0.937 1052 F CB 1.214 40.134 39.000 -0.133 0.000 1.361 1052 F HN 0.288 nan 8.300 nan 0.000 0.472 1053 I N 0.901 121.585 120.570 0.190 0.000 2.752 1053 I HA 0.234 4.408 4.170 0.006 0.000 0.295 1053 I C -1.868 174.301 176.117 0.086 0.000 1.219 1053 I CA -0.854 60.526 61.300 0.133 0.000 1.030 1053 I CB 2.011 40.106 38.000 0.158 0.000 1.259 1053 I HN 0.843 nan 8.210 nan 0.000 0.423 1054 W N 5.782 127.110 121.300 0.046 0.000 2.606 1054 W HA 0.734 5.397 4.660 0.004 0.000 0.332 1054 W C -0.090 176.381 176.519 -0.079 0.000 1.052 1054 W CA -0.358 56.961 57.345 -0.042 0.000 1.223 1054 W CB 1.783 31.127 29.460 -0.194 0.000 1.383 1054 W HN 0.166 nan 8.180 nan 0.000 0.524 1055 M N 2.389 122.064 119.600 0.125 0.000 2.631 1055 M HA 0.518 5.002 4.480 0.006 0.000 0.288 1055 M C -0.822 175.513 176.300 0.058 0.000 1.260 1055 M CA -1.126 54.203 55.300 0.047 0.000 0.842 1055 M CB 2.964 35.276 32.600 -0.480 0.000 1.743 1055 M HN 0.347 nan 8.290 nan 0.000 0.461 1056 K N 0.185 120.764 120.400 0.297 0.000 2.562 1056 K HA 0.343 4.667 4.320 0.006 0.000 0.267 1056 K C -1.462 175.415 176.600 0.462 0.000 0.938 1056 K CA -0.526 55.843 56.287 0.136 0.000 0.840 1056 K CB 1.492 33.759 32.500 -0.389 0.000 1.390 1056 K HN 0.771 nan 8.250 nan 0.000 0.428 1057 Y N 1.144 121.696 120.300 0.421 0.000 3.037 1057 Y HA -0.289 4.263 4.550 0.005 0.000 0.204 1057 Y C -0.556 175.687 175.900 0.572 0.000 1.275 1057 Y CA -0.003 58.367 58.100 0.450 0.000 1.066 1057 Y CB -1.186 37.530 38.460 0.427 0.000 1.305 1057 Y HN 0.434 nan 8.280 nan 0.000 0.499 1058 F N 2.643 122.986 119.950 0.656 0.000 2.472 1058 F HA 0.438 4.967 4.527 0.004 0.000 0.364 1058 F C 0.437 176.521 175.800 0.474 0.000 1.090 1058 F CA 0.111 58.490 58.000 0.632 0.000 1.188 1058 F CB 0.569 39.978 39.000 0.682 0.000 1.105 1058 F HN 0.092 nan 8.300 nan 0.000 0.536 1059 S N 6.206 121.769 115.700 -0.228 0.000 2.588 1059 S HA 0.795 5.268 4.470 0.006 0.000 0.275 1059 S C -1.077 173.349 174.600 -0.290 0.000 1.130 1059 S CA -0.961 57.149 58.200 -0.150 0.000 0.855 1059 S CB 1.711 64.886 63.200 -0.043 0.000 1.116 1059 S HN 0.559 nan 8.310 nan 0.000 0.472 1060 I N 1.297 121.748 120.570 -0.198 0.000 2.608 1060 I HA 0.580 4.754 4.170 0.006 0.000 0.295 1060 I C -1.480 174.507 176.117 -0.217 0.000 1.049 1060 I CA -0.739 60.497 61.300 -0.106 0.000 1.063 1060 I CB 1.779 39.795 38.000 0.026 0.000 1.248 1060 I HN 0.557 nan 8.210 nan 0.000 0.424 1061 F N 2.563 122.429 119.950 -0.140 0.000 2.532 1061 F HA 0.296 4.829 4.527 0.010 0.000 0.321 1061 F C 0.597 176.348 175.800 -0.082 0.000 1.089 1061 F CA -1.041 56.891 58.000 -0.112 0.000 0.926 1061 F CB 1.300 40.227 39.000 -0.121 0.000 1.168 1061 F HN 0.474 nan 8.300 nan 0.000 0.459 1062 N N 0.032 118.775 118.700 0.072 0.000 2.466 1062 N HA 0.171 4.915 4.740 0.006 0.000 0.251 1062 N C -0.385 175.217 175.510 0.153 0.000 1.164 1062 N CA 0.009 53.092 53.050 0.055 0.000 0.888 1062 N CB 0.529 38.971 38.487 -0.076 0.000 1.177 1062 N HN 0.605 nan 8.380 nan 0.000 0.498 1063 T N -1.651 112.998 114.554 0.158 0.000 2.749 1063 T HA 0.189 4.543 4.350 0.006 0.000 0.310 1063 T C -2.047 172.660 174.700 0.012 0.000 1.496 1063 T CA -0.853 61.308 62.100 0.102 0.000 1.006 1063 T CB 1.213 70.131 68.868 0.084 0.000 1.457 1063 T HN 0.244 nan 8.240 nan 0.000 0.497 1064 E N 2.358 122.549 120.200 -0.014 0.000 2.194 1064 E HA 0.420 4.774 4.350 0.006 0.000 0.284 1064 E C -0.567 175.928 176.600 -0.176 0.000 1.035 1064 E CA -0.426 55.915 56.400 -0.099 0.000 0.836 1064 E CB 0.425 30.105 29.700 -0.032 0.000 1.070 1064 E HN 0.479 nan 8.360 nan 0.000 0.401 1065 L N 3.782 124.813 121.223 -0.319 0.000 2.397 1065 L HA 0.141 4.485 4.340 0.006 0.000 0.271 1065 L C 0.678 177.346 176.870 -0.337 0.000 1.148 1065 L CA -0.333 54.266 54.840 -0.402 0.000 0.825 1065 L CB 1.176 42.865 42.059 -0.616 0.000 1.117 1065 L HN 0.607 nan 8.230 nan 0.000 0.456 1066 S N 1.401 116.940 115.700 -0.269 0.000 2.652 1066 S HA 0.076 4.550 4.470 0.006 0.000 0.270 1066 S C 0.696 175.123 174.600 -0.289 0.000 1.243 1066 S CA -0.658 57.416 58.200 -0.210 0.000 0.999 1066 S CB 1.525 64.649 63.200 -0.127 0.000 0.973 1066 S HN 0.688 nan 8.310 nan 0.000 0.544 1067 Q N 0.960 120.635 119.800 -0.208 0.000 2.197 1067 Q HA -0.152 4.192 4.340 0.006 0.000 0.207 1067 Q C 2.013 177.918 176.000 -0.157 0.000 0.984 1067 Q CA 2.135 57.825 55.803 -0.189 0.000 0.869 1067 Q CB -0.769 27.994 28.738 0.041 0.000 0.906 1067 Q HN 0.825 nan 8.270 nan 0.000 0.426 1068 S N 0.271 115.900 115.700 -0.119 0.000 2.371 1068 S HA -0.066 4.408 4.470 0.006 0.000 0.224 1068 S C 1.589 176.125 174.600 -0.107 0.000 1.029 1068 S CA 0.979 59.128 58.200 -0.086 0.000 0.978 1068 S CB -0.065 63.095 63.200 -0.066 0.000 0.833 1068 S HN 0.477 nan 8.310 nan 0.000 0.466 1069 N N 1.412 120.018 118.700 -0.157 0.000 2.120 1069 N HA -0.041 4.702 4.740 0.006 0.000 0.188 1069 N C 1.801 177.211 175.510 -0.167 0.000 1.024 1069 N CA 1.499 54.446 53.050 -0.172 0.000 0.852 1069 N CB -0.457 37.879 38.487 -0.252 0.000 1.003 1069 N HN 0.463 nan 8.380 nan 0.000 0.424 1070 I N 1.074 121.502 120.570 -0.237 0.000 2.202 1070 I HA -0.216 3.958 4.170 0.006 0.000 0.242 1070 I C 2.486 178.606 176.117 0.006 0.000 1.091 1070 I CA 0.985 62.175 61.300 -0.182 0.000 1.368 1070 I CB -0.197 37.514 38.000 -0.481 0.000 1.058 1070 I HN 0.037 nan 8.210 nan 0.000 0.410 1071 E N 1.379 121.563 120.200 -0.027 0.000 2.085 1071 E HA -0.290 4.064 4.350 0.006 0.000 0.194 1071 E C 2.018 178.677 176.600 0.098 0.000 0.994 1071 E CA 1.711 58.153 56.400 0.069 0.000 0.801 1071 E CB -0.134 29.583 29.700 0.030 0.000 0.743 1071 E HN 0.434 nan 8.360 nan 0.000 0.453 1072 E N -0.153 120.060 120.200 0.022 0.000 2.047 1072 E HA -0.222 4.131 4.350 0.006 0.000 0.191 1072 E C 2.285 178.885 176.600 0.000 0.000 0.987 1072 E CA 0.973 57.374 56.400 0.001 0.000 0.799 1072 E CB -0.125 29.559 29.700 -0.028 0.000 0.752 1072 E HN 0.140 nan 8.360 nan 0.000 0.449 1073 R N -0.580 119.927 120.500 0.012 0.000 2.096 1073 R HA -0.211 4.132 4.340 0.006 0.000 0.235 1073 R C 2.375 178.616 176.300 -0.098 0.000 1.127 1073 R CA 1.640 57.744 56.100 0.006 0.000 0.968 1073 R CB -0.402 29.957 30.300 0.099 0.000 0.861 1073 R HN 0.281 nan 8.270 nan 0.000 0.440 1074 Y N 1.315 121.459 120.300 -0.259 0.000 2.145 1074 Y HA -0.178 4.375 4.550 0.006 0.000 0.286 1074 Y C 1.586 177.433 175.900 -0.090 0.000 1.145 1074 Y CA 1.769 59.619 58.100 -0.418 0.000 1.148 1074 Y CB -0.020 38.346 38.460 -0.155 0.000 0.981 1074 Y HN -0.046 nan 8.280 nan 0.000 0.507 1075 K N -0.155 120.161 120.400 -0.140 0.000 2.148 1075 K HA -0.073 4.251 4.320 0.006 0.000 0.204 1075 K C 2.082 178.609 176.600 -0.121 0.000 1.050 1075 K CA 1.561 57.732 56.287 -0.193 0.000 0.942 1075 K CB -0.141 32.316 32.500 -0.072 0.000 0.724 1075 K HN 0.371 nan 8.250 nan 0.000 0.446 1076 I N 1.278 121.795 120.570 -0.088 0.000 2.233 1076 I HA -0.253 3.920 4.170 0.006 0.000 0.243 1076 I C 2.025 178.107 176.117 -0.057 0.000 1.093 1076 I CA 1.325 62.583 61.300 -0.071 0.000 1.380 1076 I CB -0.085 37.872 38.000 -0.073 0.000 1.067 1076 I HN 0.174 nan 8.210 nan 0.000 0.413 1077 Q N -0.213 119.555 119.800 -0.054 0.000 2.472 1077 Q HA -0.010 4.333 4.340 0.006 0.000 0.208 1077 Q C 2.003 177.902 176.000 -0.168 0.000 0.958 1077 Q CA 0.630 56.420 55.803 -0.021 0.000 0.932 1077 Q CB 0.189 29.044 28.738 0.195 0.000 1.007 1077 Q HN 0.362 nan 8.270 nan 0.000 0.508 1078 S N -0.258 115.346 115.700 -0.160 0.000 2.486 1078 S HA -0.005 4.469 4.470 0.006 0.000 0.220 1078 S C 0.108 174.578 174.600 -0.216 0.000 1.011 1078 S CA -0.265 57.785 58.200 -0.250 0.000 0.921 1078 S CB 0.033 63.064 63.200 -0.282 0.000 0.785 1078 S HN 0.377 nan 8.310 nan 0.000 0.517 1079 Y N 3.766 123.921 120.300 -0.242 0.000 2.511 1079 Y HA 0.357 4.910 4.550 0.005 0.000 0.332 1079 Y C 0.273 175.984 175.900 -0.316 0.000 1.177 1079 Y CA -0.150 57.805 58.100 -0.243 0.000 1.422 1079 Y CB 0.360 38.703 38.460 -0.196 0.000 1.271 1079 Y HN 0.145 nan 8.280 nan 0.000 0.550 1080 S N 3.409 118.215 115.700 -1.491 0.000 2.567 1080 S HA 0.284 4.758 4.470 0.006 0.000 0.270 1080 S C -0.269 173.547 174.600 -1.307 0.000 1.152 1080 S CA -0.993 56.394 58.200 -1.356 0.000 0.835 1080 S CB 1.568 63.840 63.200 -1.547 0.000 1.115 1080 S HN 0.627 nan 8.310 nan 0.000 0.459 1081 E N 0.119 119.786 120.200 -0.888 0.000 2.285 1081 E HA 0.089 4.443 4.350 0.006 0.000 0.194 1081 E C 0.339 176.723 176.600 -0.360 0.000 0.997 1081 E CA 0.964 57.086 56.400 -0.464 0.000 0.845 1081 E CB -0.262 29.315 29.700 -0.205 0.000 0.782 1081 E HN 0.769 nan 8.360 nan 0.000 0.491 1082 Y N -0.669 119.485 120.300 -0.244 0.000 2.432 1082 Y HA 0.570 5.123 4.550 0.005 0.000 0.322 1082 Y C 0.330 176.094 175.900 -0.226 0.000 1.246 1082 Y CA -1.524 56.451 58.100 -0.207 0.000 1.268 1082 Y CB 0.093 38.448 38.460 -0.175 0.000 1.276 1082 Y HN -0.318 nan 8.280 nan 0.000 0.499 1083 L N 2.306 123.574 121.223 0.075 0.000 2.439 1083 L HA 0.440 4.783 4.340 0.006 0.000 0.259 1083 L C 0.143 177.044 176.870 0.053 0.000 1.129 1083 L CA -0.905 53.934 54.840 -0.001 0.000 0.803 1083 L CB 0.687 42.702 42.059 -0.073 0.000 1.161 1083 L HN 0.613 nan 8.230 nan 0.000 0.462 1084 K N 0.358 120.759 120.400 0.002 0.000 2.258 1084 K HA 0.440 4.764 4.320 0.006 0.000 0.236 1084 K C -1.178 175.355 176.600 -0.111 0.000 1.008 1084 K CA -0.861 55.377 56.287 -0.082 0.000 0.869 1084 K CB 1.642 34.033 32.500 -0.181 0.000 1.171 1084 K HN 0.613 nan 8.250 nan 0.000 0.447 1085 D N -0.911 119.394 120.400 -0.158 0.000 2.549 1085 D HA 0.064 4.707 4.640 0.006 0.000 0.270 1085 D C 0.952 177.174 176.300 -0.129 0.000 1.181 1085 D CA -0.672 53.261 54.000 -0.112 0.000 1.070 1085 D CB 0.137 40.908 40.800 -0.048 0.000 1.154 1085 D HN 0.408 nan 8.370 nan 0.000 0.602 1086 F N -0.405 119.357 119.950 -0.313 0.000 2.115 1086 F HA -0.134 4.396 4.527 0.006 0.000 0.300 1086 F C 1.420 176.967 175.800 -0.421 0.000 1.092 1086 F CA 1.490 59.200 58.000 -0.483 0.000 1.245 1086 F CB -0.139 38.319 39.000 -0.903 0.000 0.995 1086 F HN 0.413 nan 8.300 nan 0.000 0.481 1087 W N -0.365 120.994 121.300 0.099 0.000 2.800 1087 W HA 0.265 4.928 4.660 0.006 0.000 0.249 1087 W C 1.842 178.300 176.519 -0.102 0.000 1.294 1087 W CA 0.602 57.972 57.345 0.043 0.000 1.402 1087 W CB -0.394 29.140 29.460 0.123 0.000 1.126 1087 W HN 0.234 nan 8.180 nan 0.000 0.652 1088 G N -0.175 108.398 108.800 -0.378 0.000 2.163 1088 G HA2 -0.247 3.717 3.960 0.006 0.000 0.213 1088 G HA3 -0.247 3.717 3.960 0.006 0.000 0.213 1088 G C 0.006 174.727 174.900 -0.298 0.000 0.991 1088 G CA -0.564 43.995 45.100 -0.901 0.000 0.653 1088 G HN 0.150 nan 8.290 nan 0.000 0.518 1089 N N 1.011 119.665 118.700 -0.077 0.000 2.476 1089 N HA 0.508 5.251 4.740 0.006 0.000 0.275 1089 N C -2.707 172.700 175.510 -0.173 0.000 1.190 1089 N CA -1.429 51.568 53.050 -0.088 0.000 0.977 1089 N CB 0.943 39.442 38.487 0.020 0.000 1.200 1089 N HN -0.013 nan 8.380 nan 0.000 0.515 1090 P HA -0.032 nan 4.420 nan 0.000 0.265 1090 P C -0.134 177.011 177.300 -0.259 0.000 1.187 1090 P CA -0.163 62.642 63.100 -0.491 0.000 0.766 1090 P CB 0.454 31.648 31.700 -0.843 0.000 0.820 1091 L N 4.453 125.538 121.223 -0.230 0.000 2.380 1091 L HA 0.284 4.627 4.340 0.006 0.000 0.273 1091 L C -0.171 176.592 176.870 -0.177 0.000 1.138 1091 L CA 0.725 55.449 54.840 -0.193 0.000 0.832 1091 L CB -0.121 41.769 42.059 -0.281 0.000 1.124 1091 L HN 0.281 nan 8.230 nan 0.000 0.454 1092 M N 4.294 123.886 119.600 -0.014 0.000 2.598 1092 M HA 0.327 4.811 4.480 0.006 0.000 0.317 1092 M C -0.763 175.478 176.300 -0.098 0.000 1.179 1092 M CA -0.462 54.803 55.300 -0.058 0.000 0.936 1092 M CB 1.549 34.144 32.600 -0.007 0.000 1.713 1092 M HN 0.379 nan 8.290 nan 0.000 0.460 1093 Y N 1.252 121.536 120.300 -0.026 0.000 2.316 1093 Y HA 0.196 4.749 4.550 0.006 0.000 0.324 1093 Y C 0.885 176.762 175.900 -0.038 0.000 1.267 1093 Y CA 0.262 58.346 58.100 -0.027 0.000 1.311 1093 Y CB 0.633 39.075 38.460 -0.029 0.000 1.267 1093 Y HN 0.740 nan 8.280 nan 0.000 0.516 1094 N N 1.267 120.061 118.700 0.158 0.000 2.725 1094 N HA -0.252 4.492 4.740 0.006 0.000 0.251 1094 N C -0.856 174.643 175.510 -0.019 0.000 1.031 1094 N CA 0.893 53.989 53.050 0.077 0.000 0.720 1094 N CB -0.865 37.669 38.487 0.079 0.000 0.930 1094 N HN 0.585 nan 8.380 nan 0.000 0.543 1095 K N 0.734 121.054 120.400 -0.134 0.000 2.507 1095 K HA 0.234 4.557 4.320 0.006 0.000 0.251 1095 K C -0.643 175.661 176.600 -0.494 0.000 0.943 1095 K CA -0.515 55.573 56.287 -0.332 0.000 0.794 1095 K CB 1.674 33.882 32.500 -0.487 0.000 1.188 1095 K HN 0.048 nan 8.250 nan 0.000 0.428 1096 E N 2.798 122.818 120.200 -0.300 0.000 2.414 1096 E HA 0.045 4.399 4.350 0.006 0.000 0.263 1096 E C -1.016 175.382 176.600 -0.337 0.000 1.000 1096 E CA 0.468 56.750 56.400 -0.197 0.000 0.914 1096 E CB 0.511 30.138 29.700 -0.121 0.000 0.948 1096 E HN 0.374 nan 8.360 nan 0.000 0.444 1097 Y N 0.774 121.102 120.300 0.046 0.000 2.534 1097 Y HA 0.284 4.837 4.550 0.006 0.000 0.345 1097 Y C -0.795 175.148 175.900 0.073 0.000 1.031 1097 Y CA -1.198 56.980 58.100 0.130 0.000 1.022 1097 Y CB 1.395 40.093 38.460 0.396 0.000 1.292 1097 Y HN 0.446 nan 8.280 nan 0.000 0.459 1098 Y N 1.930 122.499 120.300 0.448 0.000 2.376 1098 Y HA 0.519 5.072 4.550 0.006 0.000 0.325 1098 Y C 0.053 176.080 175.900 0.211 0.000 1.199 1098 Y CA -0.769 57.526 58.100 0.325 0.000 1.206 1098 Y CB 1.236 39.821 38.460 0.209 0.000 1.229 1098 Y HN 0.344 nan 8.280 nan 0.000 0.480 1099 M N 3.106 122.879 119.600 0.287 0.000 2.300 1099 M HA 0.305 4.789 4.480 0.006 0.000 0.348 1099 M C -1.320 175.079 176.300 0.164 0.000 1.151 1099 M CA -0.517 54.772 55.300 -0.019 0.000 1.046 1099 M CB 1.240 33.595 32.600 -0.408 0.000 1.647 1099 M HN 0.582 nan 8.290 nan 0.000 0.451 1100 F N 3.301 123.237 119.950 -0.024 0.000 2.508 1100 F HA 0.497 5.028 4.527 0.006 0.000 0.325 1100 F C -0.707 175.114 175.800 0.035 0.000 1.090 1100 F CA -0.699 57.301 58.000 0.000 0.000 0.945 1100 F CB 1.164 40.128 39.000 -0.060 0.000 1.156 1100 F HN 0.474 nan 8.300 nan 0.000 0.463 1101 N N 4.151 122.282 118.700 -0.948 0.000 2.483 1101 N HA 0.321 5.065 4.740 0.006 0.000 0.267 1101 N C 0.273 175.082 175.510 -1.168 0.000 0.998 1101 N CA 0.205 52.639 53.050 -1.027 0.000 0.918 1101 N CB 1.992 39.914 38.487 -0.942 0.000 1.215 1101 N HN 0.894 nan 8.380 nan 0.000 0.500 1102 A N 2.774 125.122 122.820 -0.787 0.000 2.076 1102 A HA -0.065 4.258 4.320 0.006 0.000 0.220 1102 A C 1.695 179.097 177.584 -0.304 0.000 1.160 1102 A CA 1.927 53.733 52.037 -0.384 0.000 0.653 1102 A CB -0.423 18.522 19.000 -0.092 0.000 0.801 1102 A HN 0.688 nan 8.150 nan 0.000 0.455 1103 G N -1.464 107.116 108.800 -0.367 0.000 2.838 1103 G HA2 0.164 4.128 3.960 0.006 0.000 0.210 1103 G HA3 0.164 4.128 3.960 0.006 0.000 0.210 1103 G C 0.158 174.927 174.900 -0.219 0.000 1.153 1103 G CA 0.300 45.260 45.100 -0.234 0.000 0.778 1103 G HN 0.530 nan 8.290 nan 0.000 0.539 1104 N N -0.230 118.282 118.700 -0.314 0.000 2.711 1104 N HA 0.228 4.971 4.740 0.006 0.000 0.263 1104 N C 0.834 176.181 175.510 -0.272 0.000 1.667 1104 N CA -0.386 52.526 53.050 -0.231 0.000 0.785 1104 N CB 1.237 39.606 38.487 -0.197 0.000 1.231 1104 N HN -0.005 nan 8.380 nan 0.000 0.503 1105 K N 0.244 120.511 120.400 -0.222 0.000 2.049 1105 K HA -0.184 4.140 4.320 0.006 0.000 0.219 1105 K C 0.463 177.081 176.600 0.029 0.000 1.056 1105 K CA 1.377 57.607 56.287 -0.095 0.000 0.946 1105 K CB -0.056 32.512 32.500 0.113 0.000 0.723 1105 K HN 0.325 nan 8.250 nan 0.000 0.453 1106 N N 0.717 119.441 118.700 0.039 0.000 2.471 1106 N HA 0.020 4.764 4.740 0.006 0.000 0.205 1106 N C -0.645 174.907 175.510 0.070 0.000 1.251 1106 N CA 0.300 53.398 53.050 0.080 0.000 0.843 1106 N CB 0.402 38.931 38.487 0.070 0.000 1.044 1106 N HN 0.042 nan 8.380 nan 0.000 0.461 1107 S N 0.064 115.778 115.700 0.023 0.000 2.648 1107 S HA 0.700 5.174 4.470 0.006 0.000 0.305 1107 S C -0.705 173.963 174.600 0.113 0.000 1.094 1107 S CA -0.747 57.452 58.200 -0.002 0.000 0.983 1107 S CB 1.624 64.776 63.200 -0.080 0.000 1.101 1107 S HN 0.379 nan 8.310 nan 0.000 0.514 1108 Y N -1.484 118.814 120.300 -0.002 0.000 2.609 1108 Y HA 0.733 5.287 4.550 0.006 0.000 0.336 1108 Y C -1.689 174.213 175.900 0.003 0.000 1.129 1108 Y CA -1.430 56.684 58.100 0.023 0.000 1.040 1108 Y CB 0.352 38.836 38.460 0.040 0.000 1.310 1108 Y HN 0.504 nan 8.280 nan 0.000 0.460 1109 I N 3.026 123.700 120.570 0.172 0.000 2.365 1109 I HA 0.451 4.624 4.170 0.006 0.000 0.291 1109 I C -0.342 175.821 176.117 0.077 0.000 1.004 1109 I CA -0.629 60.663 61.300 -0.014 0.000 1.311 1109 I CB 1.519 39.371 38.000 -0.247 0.000 1.401 1109 I HN 0.620 nan 8.210 nan 0.000 0.491 1110 K N 6.174 126.558 120.400 -0.026 0.000 2.482 1110 K HA 0.377 4.701 4.320 0.006 0.000 0.251 1110 K C -1.314 175.258 176.600 -0.047 0.000 0.936 1110 K CA -0.952 55.338 56.287 0.004 0.000 0.791 1110 K CB 2.070 34.613 32.500 0.071 0.000 1.213 1110 K HN 0.446 nan 8.250 nan 0.000 0.428 1111 L N 3.984 125.168 121.223 -0.064 0.000 2.534 1111 L HA 0.116 4.460 4.340 0.006 0.000 0.271 1111 L C -0.086 176.804 176.870 0.034 0.000 1.178 1111 L CA 0.780 55.618 54.840 -0.003 0.000 0.907 1111 L CB 0.138 42.221 42.059 0.040 0.000 1.164 1111 L HN 0.586 nan 8.230 nan 0.000 0.482 1112 K N 4.530 124.971 120.400 0.067 0.000 2.412 1112 K HA -0.040 4.284 4.320 0.006 0.000 0.281 1112 K C 1.170 177.812 176.600 0.070 0.000 1.027 1112 K CA 0.211 56.537 56.287 0.065 0.000 0.989 1112 K CB 0.665 33.230 32.500 0.108 0.000 0.935 1112 K HN 0.777 nan 8.250 nan 0.000 0.475 1113 K N 3.030 123.458 120.400 0.047 0.000 2.052 1113 K HA -0.280 4.044 4.320 0.006 0.000 0.215 1113 K C 0.976 177.615 176.600 0.065 0.000 1.053 1113 K CA 2.722 59.036 56.287 0.045 0.000 0.934 1113 K CB 0.007 32.526 32.500 0.031 0.000 0.717 1113 K HN 0.831 nan 8.250 nan 0.000 0.450 1114 D N -1.434 119.007 120.400 0.069 0.000 2.388 1114 D HA 0.029 4.672 4.640 0.006 0.000 0.208 1114 D C -0.081 176.274 176.300 0.092 0.000 1.035 1114 D CA -0.249 53.796 54.000 0.076 0.000 0.875 1114 D CB 0.422 41.258 40.800 0.061 0.000 0.984 1114 D HN -0.055 nan 8.370 nan 0.000 0.508 1115 S N 0.704 116.466 115.700 0.103 0.000 2.608 1115 S HA 0.392 4.865 4.470 0.006 0.000 0.291 1115 S C -2.227 172.451 174.600 0.131 0.000 1.146 1115 S CA -1.184 57.084 58.200 0.113 0.000 1.043 1115 S CB 1.715 64.983 63.200 0.112 0.000 1.037 1115 S HN 0.120 nan 8.310 nan 0.000 0.520 1116 P HA 0.137 nan 4.420 nan 0.000 0.243 1116 P C -0.261 177.077 177.300 0.063 0.000 1.668 1116 P CA 0.047 63.154 63.100 0.011 0.000 0.898 1116 P CB -0.466 31.106 31.700 -0.213 0.000 1.637 1117 V N -3.498 116.511 119.914 0.158 0.000 3.046 1117 V HA 0.969 5.093 4.120 0.006 0.000 0.316 1117 V C -0.101 176.135 176.094 0.237 0.000 1.104 1117 V CA -1.105 61.329 62.300 0.223 0.000 1.006 1117 V CB 1.790 33.759 31.823 0.244 0.000 1.058 1117 V HN 0.064 nan 8.190 nan 0.000 0.440 1118 G N 1.739 110.722 108.800 0.304 0.000 2.384 1118 G HA2 0.615 4.579 3.960 0.006 0.000 0.316 1118 G HA3 0.615 4.579 3.960 0.006 0.000 0.316 1118 G C -0.429 174.566 174.900 0.157 0.000 1.160 1118 G CA -0.506 44.709 45.100 0.193 0.000 0.936 1118 G HN 1.015 nan 8.290 nan 0.000 0.455 1119 E N 1.962 122.147 120.200 -0.025 0.000 2.318 1119 E HA 0.460 4.814 4.350 0.006 0.000 0.265 1119 E C -0.513 175.958 176.600 -0.214 0.000 1.069 1119 E CA -0.868 55.375 56.400 -0.262 0.000 0.893 1119 E CB 1.645 31.165 29.700 -0.300 0.000 1.076 1119 E HN 0.121 nan 8.360 nan 0.000 0.414 1120 I N 2.453 122.864 120.570 -0.266 0.000 2.339 1120 I HA 0.291 4.465 4.170 0.006 0.000 0.290 1120 I C -0.100 175.817 176.117 -0.334 0.000 0.994 1120 I CA -0.522 60.643 61.300 -0.224 0.000 1.191 1120 I CB 0.478 38.423 38.000 -0.092 0.000 1.343 1120 I HN 0.545 nan 8.210 nan 0.000 0.458 1121 L N 4.594 125.470 121.223 -0.579 0.000 2.286 1121 L HA 0.545 4.889 4.340 0.006 0.000 0.265 1121 L C 0.344 176.889 176.870 -0.543 0.000 1.012 1121 L CA -0.794 53.664 54.840 -0.637 0.000 0.818 1121 L CB 1.952 43.498 42.059 -0.855 0.000 1.337 1121 L HN 0.426 nan 8.230 nan 0.000 0.438 1122 T N 1.057 115.465 114.554 -0.242 0.000 2.749 1122 T HA 0.305 4.659 4.350 0.006 0.000 0.295 1122 T C 0.175 174.994 174.700 0.197 0.000 0.936 1122 T CA -0.515 61.569 62.100 -0.027 0.000 1.060 1122 T CB 0.395 69.262 68.868 -0.002 0.000 0.904 1122 T HN 0.372 nan 8.240 nan 0.000 0.500 1123 R N 2.199 122.885 120.500 0.309 0.000 2.697 1123 R HA 0.171 4.515 4.340 0.006 0.000 0.265 1123 R C 0.879 177.295 176.300 0.192 0.000 1.009 1123 R CA -0.150 56.156 56.100 0.343 0.000 1.099 1123 R CB 0.243 30.676 30.300 0.222 0.000 0.965 1123 R HN 0.721 nan 8.270 nan 0.000 0.428 1124 S N 1.916 117.696 115.700 0.134 0.000 2.603 1124 S HA 0.262 4.736 4.470 0.006 0.000 0.268 1124 S C -0.114 174.527 174.600 0.068 0.000 1.317 1124 S CA -0.844 57.405 58.200 0.081 0.000 1.012 1124 S CB 1.108 64.339 63.200 0.051 0.000 0.926 1124 S HN 0.598 nan 8.310 nan 0.000 0.539 1125 K N -0.321 120.095 120.400 0.027 0.000 2.306 1125 K HA 0.427 4.751 4.320 0.006 0.000 0.236 1125 K C -1.003 175.533 176.600 -0.106 0.000 1.013 1125 K CA -1.074 55.203 56.287 -0.018 0.000 0.857 1125 K CB 0.515 33.014 32.500 -0.003 0.000 1.214 1125 K HN 0.561 nan 8.250 nan 0.000 0.449 1126 Y N 1.951 121.973 120.300 -0.464 0.000 2.805 1126 Y HA -0.077 4.476 4.550 0.006 0.000 0.331 1126 Y C 0.154 175.927 175.900 -0.211 0.000 1.241 1126 Y CA 0.483 58.258 58.100 -0.542 0.000 1.546 1126 Y CB 0.245 38.216 38.460 -0.815 0.000 1.248 1126 Y HN 0.658 nan 8.280 nan 0.000 0.559 1127 N N 3.876 122.231 118.700 -0.575 0.000 2.415 1127 N HA -0.029 4.715 4.740 0.006 0.000 0.174 1127 N C 0.159 175.294 175.510 -0.625 0.000 1.048 1127 N CA 0.400 53.168 53.050 -0.471 0.000 0.895 1127 N CB 0.096 38.441 38.487 -0.237 0.000 1.036 1127 N HN 0.764 nan 8.380 nan 0.000 0.449 1128 Q N 0.938 120.123 119.800 -1.024 0.000 2.841 1128 Q HA 0.028 4.372 4.340 0.006 0.000 0.198 1128 Q C 0.671 176.406 176.000 -0.442 0.000 1.135 1128 Q CA 0.253 55.676 55.803 -0.633 0.000 1.167 1128 Q CB 0.237 28.758 28.738 -0.361 0.000 1.288 1128 Q HN 0.284 nan 8.270 nan 0.000 0.670 1129 N N -0.916 117.724 118.700 -0.099 0.000 2.273 1129 N HA 0.023 4.767 4.740 0.006 0.000 0.231 1129 N C -0.525 175.055 175.510 0.117 0.000 1.134 1129 N CA -0.129 52.926 53.050 0.009 0.000 0.856 1129 N CB 0.586 39.065 38.487 -0.013 0.000 1.068 1129 N HN 0.224 nan 8.380 nan 0.000 0.510 1130 S N 0.814 116.680 115.700 0.277 0.000 2.579 1130 S HA 0.079 4.553 4.470 0.006 0.000 0.275 1130 S C 1.209 175.869 174.600 0.100 0.000 1.345 1130 S CA -0.409 57.911 58.200 0.201 0.000 1.031 1130 S CB 0.735 64.066 63.200 0.219 0.000 0.892 1130 S HN 0.552 nan 8.310 nan 0.000 0.529 1131 K N 2.437 122.792 120.400 -0.076 0.000 2.361 1131 K HA 0.078 4.401 4.320 0.006 0.000 0.194 1131 K C 0.694 177.136 176.600 -0.263 0.000 1.032 1131 K CA 0.598 56.762 56.287 -0.204 0.000 1.048 1131 K CB -0.165 32.126 32.500 -0.348 0.000 0.842 1131 K HN 0.690 nan 8.250 nan 0.000 0.526 1132 Y N 2.372 122.634 120.300 -0.063 0.000 2.523 1132 Y HA 0.251 4.805 4.550 0.006 0.000 0.279 1132 Y C 1.083 176.867 175.900 -0.192 0.000 1.139 1132 Y CA -0.490 57.543 58.100 -0.113 0.000 1.296 1132 Y CB 0.215 38.595 38.460 -0.135 0.000 1.045 1132 Y HN 0.119 nan 8.280 nan 0.000 0.538 1133 I N -2.123 118.377 120.570 -0.118 0.000 2.769 1133 I HA 0.541 4.715 4.170 0.006 0.000 0.298 1133 I C -1.173 174.786 176.117 -0.263 0.000 1.128 1133 I CA -1.119 60.018 61.300 -0.271 0.000 1.031 1133 I CB 2.568 40.207 38.000 -0.603 0.000 1.235 1133 I HN -0.114 nan 8.210 nan 0.000 0.423 1134 N N 3.706 122.366 118.700 -0.067 0.000 2.555 1134 N HA 0.489 5.233 4.740 0.006 0.000 0.265 1134 N C -2.130 173.506 175.510 0.210 0.000 1.135 1134 N CA -0.181 52.876 53.050 0.012 0.000 0.925 1134 N CB 2.808 41.345 38.487 0.084 0.000 1.662 1134 N HN 0.870 nan 8.380 nan 0.000 0.489 1135 Y N -0.425 120.004 120.300 0.215 0.000 2.779 1135 Y HA 0.595 5.149 4.550 0.007 0.000 0.340 1135 Y C -1.626 174.420 175.900 0.243 0.000 1.252 1135 Y CA -1.108 57.149 58.100 0.262 0.000 1.072 1135 Y CB 0.636 39.318 38.460 0.370 0.000 1.343 1135 Y HN 0.257 nan 8.280 nan 0.000 0.450 1136 R N 1.510 122.290 120.500 0.467 0.000 2.460 1136 R HA 0.318 4.662 4.340 0.006 0.000 0.303 1136 R C -1.287 175.240 176.300 0.377 0.000 0.968 1136 R CA -0.860 55.418 56.100 0.298 0.000 0.889 1136 R CB 1.352 31.771 30.300 0.199 0.000 1.123 1136 R HN 0.789 nan 8.270 nan 0.000 0.455 1137 D N 2.513 123.067 120.400 0.256 0.000 2.443 1137 D HA 0.012 4.656 4.640 0.006 0.000 0.239 1137 D C 1.214 177.461 176.300 -0.089 0.000 1.136 1137 D CA 0.230 54.326 54.000 0.161 0.000 0.879 1137 D CB 1.208 42.052 40.800 0.074 0.000 1.195 1137 D HN 0.366 nan 8.370 nan 0.000 0.443 1138 L N 1.075 122.107 121.223 -0.319 0.000 2.537 1138 L HA 0.035 4.379 4.340 0.006 0.000 0.224 1138 L C 0.291 176.860 176.870 -0.501 0.000 1.065 1138 L CA 0.157 54.674 54.840 -0.538 0.000 0.860 1138 L CB 0.168 41.643 42.059 -0.973 0.000 1.086 1138 L HN 0.313 nan 8.230 nan 0.000 0.482 1139 Y N 1.731 121.743 120.300 -0.480 0.000 2.724 1139 Y HA 0.530 5.084 4.550 0.006 0.000 0.332 1139 Y C -0.014 175.339 175.900 -0.912 0.000 1.276 1139 Y CA -1.042 56.423 58.100 -1.058 0.000 1.597 1139 Y CB -0.142 38.022 38.460 -0.494 0.000 1.584 1139 Y HN -0.027 nan 8.280 nan 0.000 0.478 1140 I N -0.263 119.856 120.570 -0.752 0.000 3.004 1140 I HA 0.784 4.958 4.170 0.006 0.000 0.305 1140 I C 0.133 176.071 176.117 -0.299 0.000 1.312 1140 I CA -0.273 60.731 61.300 -0.492 0.000 0.992 1140 I CB 2.252 39.855 38.000 -0.661 0.000 1.282 1140 I HN 0.542 nan 8.210 nan 0.000 0.449 1141 G N 4.117 112.783 108.800 -0.224 0.000 2.728 1141 G HA2 -0.111 3.853 3.960 0.006 0.000 0.294 1141 G HA3 -0.111 3.853 3.960 0.006 0.000 0.294 1141 G C -0.860 174.162 174.900 0.203 0.000 1.342 1141 G CA -0.553 44.635 45.100 0.147 0.000 0.866 1141 G HN 0.727 nan 8.290 nan 0.000 0.534 1142 E N 0.470 120.715 120.200 0.074 0.000 2.422 1142 E HA 0.261 4.615 4.350 0.006 0.000 0.260 1142 E C 0.419 176.934 176.600 -0.142 0.000 1.108 1142 E CA 0.305 56.610 56.400 -0.159 0.000 0.943 1142 E CB 0.421 29.707 29.700 -0.690 0.000 0.961 1142 E HN 0.485 nan 8.360 nan 0.000 0.443 1143 K N 1.835 122.130 120.400 -0.175 0.000 2.316 1143 K HA 0.310 4.634 4.320 0.006 0.000 0.267 1143 K C -0.556 175.985 176.600 -0.099 0.000 1.025 1143 K CA -0.281 55.902 56.287 -0.175 0.000 0.896 1143 K CB 0.511 32.953 32.500 -0.096 0.000 1.124 1143 K HN 0.204 nan 8.250 nan 0.000 0.451 1144 F N 2.298 122.314 119.950 0.110 0.000 2.380 1144 F HA 0.550 5.080 4.527 0.006 0.000 0.319 1144 F C 0.357 176.242 175.800 0.141 0.000 1.113 1144 F CA -0.973 57.132 58.000 0.176 0.000 1.056 1144 F CB 0.853 39.998 39.000 0.243 0.000 1.289 1144 F HN 0.317 nan 8.300 nan 0.000 0.515 1145 I N 1.772 122.518 120.570 0.294 0.000 2.667 1145 I HA 0.346 4.520 4.170 0.006 0.000 0.288 1145 I C -1.437 174.767 176.117 0.145 0.000 1.267 1145 I CA -0.367 61.025 61.300 0.154 0.000 1.055 1145 I CB 1.037 39.076 38.000 0.066 0.000 1.294 1145 I HN 0.387 nan 8.210 nan 0.000 0.429 1146 I N 7.311 127.948 120.570 0.112 0.000 2.396 1146 I HA 0.339 4.513 4.170 0.006 0.000 0.289 1146 I C 0.061 176.315 176.117 0.229 0.000 1.056 1146 I CA -0.457 60.894 61.300 0.084 0.000 1.365 1146 I CB 0.296 38.205 38.000 -0.151 0.000 1.407 1146 I HN 0.383 nan 8.210 nan 0.000 0.509 1147 R N 5.589 126.253 120.500 0.273 0.000 2.604 1147 R HA 0.482 4.826 4.340 0.006 0.000 0.287 1147 R C -0.284 176.160 176.300 0.240 0.000 0.970 1147 R CA -1.001 55.268 56.100 0.282 0.000 0.946 1147 R CB 1.569 32.025 30.300 0.261 0.000 1.127 1147 R HN 0.584 nan 8.270 nan 0.000 0.473 1148 R N 1.521 121.983 120.500 -0.062 0.000 2.390 1148 R HA 0.034 4.378 4.340 0.006 0.000 0.291 1148 R C 0.917 177.070 176.300 -0.245 0.000 1.070 1148 R CA -0.181 55.717 56.100 -0.338 0.000 1.014 1148 R CB 0.804 30.639 30.300 -0.775 0.000 1.007 1148 R HN 0.432 nan 8.270 nan 0.000 0.466 1149 K N 1.744 121.942 120.400 -0.337 0.000 2.007 1149 K HA -0.006 4.318 4.320 0.006 0.000 0.206 1149 K C 0.128 176.602 176.600 -0.211 0.000 1.047 1149 K CA 1.320 57.306 56.287 -0.503 0.000 0.937 1149 K CB 0.058 32.281 32.500 -0.461 0.000 0.718 1149 K HN 0.345 nan 8.250 nan 0.000 0.438 1150 S N 0.145 115.763 115.700 -0.138 0.000 2.519 1150 S HA 0.376 4.850 4.470 0.006 0.000 0.309 1150 S C -0.089 174.457 174.600 -0.090 0.000 1.100 1150 S CA -0.994 57.160 58.200 -0.077 0.000 1.059 1150 S CB 0.797 63.971 63.200 -0.044 0.000 1.008 1150 S HN 0.330 nan 8.310 nan 0.000 0.478 1151 N N 2.423 121.079 118.700 -0.073 0.000 2.244 1151 N HA -0.082 4.661 4.740 0.006 0.000 0.189 1151 N C 2.094 177.571 175.510 -0.055 0.000 1.047 1151 N CA 1.471 54.471 53.050 -0.084 0.000 0.870 1151 N CB -0.765 37.681 38.487 -0.067 0.000 1.041 1151 N HN 0.762 nan 8.380 nan 0.000 0.448 1152 S N 1.375 117.056 115.700 -0.032 0.000 2.400 1152 S HA -0.296 4.178 4.470 0.006 0.000 0.234 1152 S C 2.254 176.845 174.600 -0.015 0.000 1.049 1152 S CA 2.304 60.493 58.200 -0.018 0.000 1.039 1152 S CB -1.134 62.061 63.200 -0.008 0.000 0.856 1152 S HN 0.488 nan 8.310 nan 0.000 0.465 1153 Q N 1.199 120.990 119.800 -0.016 0.000 2.112 1153 Q HA -0.091 4.253 4.340 0.006 0.000 0.206 1153 Q C 2.293 178.291 176.000 -0.005 0.000 0.987 1153 Q CA 2.602 58.402 55.803 -0.006 0.000 0.858 1153 Q CB -1.112 27.626 28.738 0.000 0.000 0.905 1153 Q HN 1.461 nan 8.270 nan 0.000 0.420 1154 S N -3.306 112.384 115.700 -0.017 0.000 2.822 1154 S HA 0.331 4.805 4.470 0.006 0.000 0.251 1154 S C 0.149 174.735 174.600 -0.024 0.000 0.946 1154 S CA 0.029 58.222 58.200 -0.011 0.000 1.377 1154 S CB -0.745 62.455 63.200 0.000 0.000 1.230 1154 S HN 0.592 nan 8.310 nan 0.000 0.671 1155 I N 2.028 122.568 120.570 -0.051 0.000 2.886 1155 I HA 0.595 4.768 4.170 0.006 0.000 0.299 1155 I C 0.895 176.991 176.117 -0.035 0.000 1.044 1155 I CA 1.297 62.556 61.300 -0.067 0.000 1.310 1155 I CB 1.343 39.271 38.000 -0.121 0.000 1.441 1155 I HN 0.572 nan 8.210 nan 0.000 0.578 1156 N N 3.033 121.717 118.700 -0.028 0.000 3.694 1156 N HA -0.044 4.700 4.740 0.006 0.000 0.128 1156 N C -0.793 174.716 175.510 -0.002 0.000 0.907 1156 N CA 0.194 53.237 53.050 -0.011 0.000 3.017 1156 N CB -1.295 37.191 38.487 -0.002 0.000 1.162 1156 N HN 0.759 nan 8.380 nan 0.000 0.793 1157 D N -0.953 119.446 120.400 -0.003 0.000 2.717 1157 D HA 0.403 5.047 4.640 0.006 0.000 0.223 1157 D C -1.217 175.109 176.300 0.044 0.000 1.240 1157 D CA -0.129 53.881 54.000 0.017 0.000 0.801 1157 D CB 1.766 42.582 40.800 0.027 0.000 1.556 1157 D HN 0.061 nan 8.370 nan 0.000 0.462 1158 D N 1.726 122.165 120.400 0.066 0.000 2.363 1158 D HA 0.223 4.867 4.640 0.006 0.000 0.214 1158 D C 0.538 176.966 176.300 0.213 0.000 1.093 1158 D CA 0.041 54.136 54.000 0.159 0.000 0.837 1158 D CB 0.829 41.682 40.800 0.089 0.000 0.948 1158 D HN 0.400 nan 8.370 nan 0.000 0.507 1159 I N 1.235 121.873 120.570 0.113 0.000 2.474 1159 I HA 0.028 4.202 4.170 0.006 0.000 0.287 1159 I C 0.339 176.491 176.117 0.058 0.000 1.048 1159 I CA -0.488 60.808 61.300 -0.005 0.000 1.383 1159 I CB 1.600 39.550 38.000 -0.084 0.000 1.412 1159 I HN -0.360 nan 8.210 nan 0.000 0.531 1160 V N 7.387 127.190 119.914 -0.186 0.000 2.385 1160 V HA 0.313 4.437 4.120 0.006 0.000 0.269 1160 V C 0.406 176.454 176.094 -0.077 0.000 1.043 1160 V CA -0.546 61.581 62.300 -0.289 0.000 0.906 1160 V CB 0.419 31.894 31.823 -0.580 0.000 0.995 1160 V HN 0.658 nan 8.190 nan 0.000 0.467 1161 R N 3.434 123.933 120.500 -0.002 0.000 2.540 1161 R HA 0.475 4.818 4.340 0.006 0.000 0.287 1161 R C -0.265 175.982 176.300 -0.088 0.000 0.980 1161 R CA -1.012 55.078 56.100 -0.017 0.000 0.966 1161 R CB 1.741 32.046 30.300 0.010 0.000 1.106 1161 R HN 0.603 nan 8.270 nan 0.000 0.480 1162 K N 2.387 122.713 120.400 -0.123 0.000 2.524 1162 K HA -0.117 4.206 4.320 0.006 0.000 0.279 1162 K C 0.126 176.619 176.600 -0.178 0.000 0.993 1162 K CA 0.458 56.645 56.287 -0.165 0.000 1.030 1162 K CB 0.267 32.659 32.500 -0.179 0.000 0.891 1162 K HN 0.620 nan 8.250 nan 0.000 0.488 1163 E N -0.362 119.698 120.200 -0.235 0.000 4.129 1163 E HA -0.180 4.174 4.350 0.006 0.000 0.354 1163 E C -0.662 175.681 176.600 -0.428 0.000 0.673 1163 E CA 0.939 57.154 56.400 -0.309 0.000 1.347 1163 E CB -1.144 28.419 29.700 -0.228 0.000 1.722 1163 E HN 0.715 nan 8.360 nan 0.000 0.410 1164 D N 0.063 120.292 120.400 -0.285 0.000 2.423 1164 D HA 0.127 4.771 4.640 0.006 0.000 0.238 1164 D C 0.176 176.271 176.300 -0.341 0.000 1.142 1164 D CA 0.461 54.328 54.000 -0.223 0.000 0.884 1164 D CB 0.159 40.954 40.800 -0.009 0.000 1.199 1164 D HN 0.014 nan 8.370 nan 0.000 0.438 1165 Y N 1.226 121.498 120.300 -0.047 0.000 2.326 1165 Y HA 0.364 4.918 4.550 0.006 0.000 0.337 1165 Y C 0.815 176.639 175.900 -0.127 0.000 1.023 1165 Y CA -0.633 57.409 58.100 -0.097 0.000 1.143 1165 Y CB 0.812 39.205 38.460 -0.112 0.000 1.183 1165 Y HN 0.184 nan 8.280 nan 0.000 0.485 1166 I N -0.862 119.707 120.570 -0.002 0.000 3.264 1166 I HA 0.596 4.770 4.170 0.006 0.000 0.315 1166 I C -1.920 174.153 176.117 -0.073 0.000 1.154 1166 I CA -1.366 59.908 61.300 -0.044 0.000 0.962 1166 I CB 2.849 40.890 38.000 0.069 0.000 1.265 1166 I HN 0.435 nan 8.210 nan 0.000 0.463 1167 Y N 1.880 122.226 120.300 0.076 0.000 2.393 1167 Y HA 0.581 5.135 4.550 0.007 0.000 0.341 1167 Y C -0.701 175.226 175.900 0.046 0.000 0.988 1167 Y CA -1.116 57.008 58.100 0.041 0.000 1.078 1167 Y CB 2.384 40.869 38.460 0.042 0.000 1.203 1167 Y HN 0.392 nan 8.280 nan 0.000 0.453 1168 L N 4.903 126.252 121.223 0.209 0.000 2.283 1168 L HA 0.477 4.821 4.340 0.006 0.000 0.281 1168 L C -1.123 175.904 176.870 0.263 0.000 1.033 1168 L CA -0.168 54.796 54.840 0.207 0.000 0.848 1168 L CB -0.196 41.961 42.059 0.163 0.000 1.226 1168 L HN 0.560 nan 8.230 nan 0.000 0.429 1169 D N 3.838 124.383 120.400 0.241 0.000 2.569 1169 D HA 0.718 5.361 4.640 0.006 0.000 0.266 1169 D C -0.658 175.802 176.300 0.266 0.000 1.164 1169 D CA 0.232 54.329 54.000 0.162 0.000 1.071 1169 D CB 1.375 42.129 40.800 -0.077 0.000 1.183 1169 D HN 0.340 nan 8.370 nan 0.000 0.613 1170 F N -2.153 117.635 119.950 -0.270 0.000 2.858 1170 F HA 0.615 5.146 4.527 0.006 0.000 0.319 1170 F C -2.037 173.375 175.800 -0.647 0.000 1.166 1170 F CA -1.406 56.287 58.000 -0.511 0.000 0.899 1170 F CB 0.638 39.198 39.000 -0.733 0.000 1.332 1170 F HN 0.053 nan 8.300 nan 0.000 0.461 1171 F N 1.922 121.748 119.950 -0.207 0.000 2.411 1171 F HA 0.448 4.979 4.527 0.006 0.000 0.352 1171 F C -0.002 175.577 175.800 -0.368 0.000 1.123 1171 F CA -0.659 57.145 58.000 -0.325 0.000 1.044 1171 F CB 1.421 40.312 39.000 -0.181 0.000 1.135 1171 F HN 0.543 nan 8.300 nan 0.000 0.461 1172 N N 5.541 123.949 118.700 -0.486 0.000 2.707 1172 N HA 0.532 5.276 4.740 0.006 0.000 0.235 1172 N C 0.042 175.333 175.510 -0.366 0.000 1.028 1172 N CA 0.046 52.742 53.050 -0.590 0.000 0.906 1172 N CB 0.111 37.726 38.487 -1.454 0.000 1.131 1172 N HN 0.745 nan 8.380 nan 0.000 0.509 1173 L N 0.818 121.936 121.223 -0.175 0.000 6.599 1173 L HA -0.418 3.926 4.340 0.006 0.000 0.053 1173 L C 0.651 177.472 176.870 -0.082 0.000 2.154 1173 L CA 1.179 55.950 54.840 -0.114 0.000 1.573 1173 L CB -0.919 41.071 42.059 -0.115 0.000 2.834 1173 L HN 0.482 nan 8.230 nan 0.000 1.072 1174 N N 1.114 119.776 118.700 -0.063 0.000 2.375 1174 N HA 0.144 4.888 4.740 0.006 0.000 0.220 1174 N C -0.728 174.795 175.510 0.021 0.000 1.170 1174 N CA 0.366 53.396 53.050 -0.033 0.000 0.833 1174 N CB 0.165 38.636 38.487 -0.026 0.000 1.069 1174 N HN 0.298 nan 8.380 nan 0.000 0.479 1175 Q N -0.645 119.175 119.800 0.034 0.000 2.456 1175 Q HA 0.269 4.613 4.340 0.006 0.000 0.284 1175 Q C -1.366 174.696 176.000 0.104 0.000 1.061 1175 Q CA -0.837 55.023 55.803 0.095 0.000 0.799 1175 Q CB 2.048 30.867 28.738 0.134 0.000 1.445 1175 Q HN 0.193 nan 8.270 nan 0.000 0.411 1176 E N 1.019 121.283 120.200 0.107 0.000 2.133 1176 E HA 0.296 4.650 4.350 0.006 0.000 0.274 1176 E C -1.359 175.240 176.600 -0.003 0.000 0.930 1176 E CA -0.434 55.880 56.400 -0.143 0.000 0.770 1176 E CB 0.853 30.462 29.700 -0.152 0.000 1.104 1176 E HN 0.327 nan 8.360 nan 0.000 0.403 1177 W N 2.640 123.528 121.300 -0.687 0.000 2.630 1177 W HA 0.533 5.197 4.660 0.006 0.000 0.365 1177 W C 0.135 176.380 176.519 -0.456 0.000 1.270 1177 W CA -0.842 56.129 57.345 -0.623 0.000 1.291 1177 W CB 0.937 29.811 29.460 -0.977 0.000 1.440 1177 W HN 0.470 nan 8.180 nan 0.000 0.652 1178 R N 0.053 120.511 120.500 -0.070 0.000 2.837 1178 R HA 0.688 5.031 4.340 0.006 0.000 0.271 1178 R C -1.805 174.392 176.300 -0.171 0.000 0.993 1178 R CA -0.653 55.324 56.100 -0.205 0.000 0.931 1178 R CB 1.815 31.755 30.300 -0.600 0.000 1.206 1178 R HN 0.228 nan 8.270 nan 0.000 0.474 1179 V N 4.000 123.867 119.914 -0.079 0.000 2.383 1179 V HA 0.388 4.512 4.120 0.006 0.000 0.275 1179 V C -0.984 175.134 176.094 0.041 0.000 1.036 1179 V CA -0.202 62.175 62.300 0.128 0.000 0.889 1179 V CB 0.573 32.581 31.823 0.309 0.000 0.985 1179 V HN 0.595 nan 8.190 nan 0.000 0.459 1180 Y N 1.719 122.219 120.300 0.333 0.000 2.598 1180 Y HA 0.689 5.243 4.550 0.007 0.000 0.340 1180 Y C 0.501 176.527 175.900 0.209 0.000 1.038 1180 Y CA -0.986 57.323 58.100 0.347 0.000 1.100 1180 Y CB 2.235 40.854 38.460 0.264 0.000 1.281 1180 Y HN 0.433 nan 8.280 nan 0.000 0.488 1181 T N 1.150 115.867 114.554 0.273 0.000 2.840 1181 T HA 0.161 4.515 4.350 0.006 0.000 0.287 1181 T C -1.463 173.374 174.700 0.229 0.000 0.991 1181 T CA -0.634 61.457 62.100 -0.016 0.000 0.964 1181 T CB 0.199 68.678 68.868 -0.648 0.000 0.954 1181 T HN 0.414 nan 8.240 nan 0.000 0.438 1182 Y N 3.696 124.042 120.300 0.077 0.000 2.721 1182 Y HA 0.078 4.632 4.550 0.006 0.000 0.329 1182 Y C 1.401 177.108 175.900 -0.321 0.000 1.211 1182 Y CA -0.335 57.549 58.100 -0.360 0.000 1.512 1182 Y CB 0.503 38.803 38.460 -0.265 0.000 1.249 1182 Y HN 0.617 nan 8.280 nan 0.000 0.549 1183 K N 4.183 123.867 120.400 -1.194 0.000 2.209 1183 K HA -0.177 4.147 4.320 0.006 0.000 0.204 1183 K C -0.047 175.833 176.600 -1.200 0.000 1.048 1183 K CA 1.498 56.989 56.287 -1.327 0.000 0.940 1183 K CB -0.115 31.224 32.500 -1.936 0.000 0.729 1183 K HN 0.673 nan 8.250 nan 0.000 0.451 1184 Y N 0.543 120.160 120.300 -1.139 0.000 2.746 1184 Y HA 0.156 4.710 4.550 0.006 0.000 0.312 1184 Y C -0.022 175.780 175.900 -0.164 0.000 1.117 1184 Y CA -1.644 56.082 58.100 -0.623 0.000 1.324 1184 Y CB -0.846 37.274 38.460 -0.565 0.000 1.173 1184 Y HN -0.066 nan 8.280 nan 0.000 0.529 1185 F N -0.850 119.048 119.950 -0.087 0.000 2.399 1185 F HA 0.482 5.012 4.527 0.006 0.000 0.342 1185 F C 0.617 176.454 175.800 0.062 0.000 1.106 1185 F CA -1.423 56.638 58.000 0.102 0.000 1.196 1185 F CB 0.953 40.028 39.000 0.125 0.000 1.163 1185 F HN -0.122 nan 8.300 nan 0.000 0.547 1186 K N 1.809 122.226 120.400 0.029 0.000 2.354 1186 K HA 0.163 4.486 4.320 0.006 0.000 0.194 1186 K C 0.312 176.895 176.600 -0.028 0.000 1.038 1186 K CA -0.104 56.134 56.287 -0.082 0.000 1.052 1186 K CB 0.284 32.781 32.500 -0.004 0.000 0.861 1186 K HN 0.580 nan 8.250 nan 0.000 0.535 1187 K N 1.092 121.569 120.400 0.128 0.000 2.132 1187 K HA -0.011 4.313 4.320 0.006 0.000 0.240 1187 K C 0.965 177.673 176.600 0.180 0.000 1.036 1187 K CA -0.072 56.306 56.287 0.152 0.000 0.888 1187 K CB 0.536 33.151 32.500 0.190 0.000 1.071 1187 K HN -0.150 nan 8.250 nan 0.000 0.502 1188 E N 1.035 121.308 120.200 0.121 0.000 2.150 1188 E HA -0.156 4.198 4.350 0.006 0.000 0.193 1188 E C -0.026 176.702 176.600 0.213 0.000 0.985 1188 E CA 1.355 57.827 56.400 0.121 0.000 0.814 1188 E CB 0.323 30.048 29.700 0.042 0.000 0.752 1188 E HN 0.516 nan 8.360 nan 0.000 0.466 1189 E N -0.727 119.568 120.200 0.159 0.000 2.456 1189 E HA 0.353 4.707 4.350 0.006 0.000 0.278 1189 E C -0.893 175.715 176.600 0.014 0.000 1.034 1189 E CA -0.822 55.626 56.400 0.080 0.000 0.846 1189 E CB 1.118 30.737 29.700 -0.135 0.000 1.460 1189 E HN 0.159 nan 8.360 nan 0.000 0.463 1190 E N -0.167 119.966 120.200 -0.112 0.000 2.396 1190 E HA 0.414 4.767 4.350 0.006 0.000 0.280 1190 E C -1.345 175.254 176.600 -0.002 0.000 1.065 1190 E CA -1.059 55.307 56.400 -0.056 0.000 0.831 1190 E CB 1.204 30.748 29.700 -0.259 0.000 1.272 1190 E HN 0.305 nan 8.360 nan 0.000 0.443 1191 K N 1.522 121.944 120.400 0.037 0.000 2.401 1191 K HA 0.186 4.510 4.320 0.006 0.000 0.278 1191 K C -0.026 176.606 176.600 0.054 0.000 1.018 1191 K CA -0.164 56.148 56.287 0.041 0.000 0.981 1191 K CB 0.394 32.818 32.500 -0.126 0.000 0.933 1191 K HN 0.322 nan 8.250 nan 0.000 0.477 1192 L N 2.549 123.818 121.223 0.076 0.000 2.464 1192 L HA 0.170 4.513 4.340 0.006 0.000 0.264 1192 L C 0.080 177.106 176.870 0.260 0.000 1.199 1192 L CA -0.286 54.602 54.840 0.080 0.000 0.818 1192 L CB 0.118 42.114 42.059 -0.104 0.000 1.102 1192 L HN 0.490 nan 8.230 nan 0.000 0.473 1193 F N 2.900 122.934 119.950 0.141 0.000 2.388 1193 F HA 0.458 4.989 4.527 0.006 0.000 0.358 1193 F C -0.686 175.255 175.800 0.236 0.000 1.122 1193 F CA -0.645 57.436 58.000 0.135 0.000 1.056 1193 F CB 0.637 39.643 39.000 0.010 0.000 1.155 1193 F HN 0.085 nan 8.300 nan 0.000 0.461 1194 L N 6.939 128.047 121.223 -0.191 0.000 2.287 1194 L HA 0.876 5.220 4.340 0.006 0.000 0.287 1194 L C -0.267 176.419 176.870 -0.306 0.000 1.022 1194 L CA -0.666 54.215 54.840 0.069 0.000 0.814 1194 L CB 0.891 43.195 42.059 0.408 0.000 1.217 1194 L HN 0.798 nan 8.230 nan 0.000 0.420 1195 A N 4.820 127.453 122.820 -0.313 0.000 2.581 1195 A HA 0.841 5.164 4.320 0.006 0.000 0.290 1195 A C -2.913 174.033 177.584 -1.064 0.000 1.119 1195 A CA -1.327 50.136 52.037 -0.956 0.000 0.670 1195 A CB 1.553 20.000 19.000 -0.921 0.000 1.280 1195 A HN 0.410 nan 8.150 nan 0.000 0.425 1196 P HA 0.202 nan 4.420 nan 0.000 0.269 1196 P C -0.559 176.530 177.300 -0.352 0.000 1.211 1196 P CA 0.195 62.667 63.100 -1.047 0.000 0.781 1196 P CB 0.210 31.512 31.700 -0.663 0.000 0.877 1197 I N 1.443 121.906 120.570 -0.179 0.000 2.517 1197 I HA 0.125 4.299 4.170 0.006 0.000 0.285 1197 I C 0.743 176.842 176.117 -0.031 0.000 1.106 1197 I CA 1.052 62.327 61.300 -0.041 0.000 1.402 1197 I CB -0.282 37.677 38.000 -0.068 0.000 1.399 1197 I HN 0.431 nan 8.210 nan 0.000 0.535 1198 S N 4.006 119.723 115.700 0.028 0.000 2.611 1198 S HA 0.309 4.783 4.470 0.006 0.000 0.268 1198 S C -1.325 173.280 174.600 0.009 0.000 1.156 1198 S CA -1.088 57.101 58.200 -0.018 0.000 0.817 1198 S CB 2.254 65.410 63.200 -0.073 0.000 1.122 1198 S HN 0.588 nan 8.310 nan 0.000 0.466 1199 D N 1.379 121.782 120.400 0.005 0.000 2.472 1199 D HA 0.410 5.054 4.640 0.006 0.000 0.234 1199 D C -0.967 175.346 176.300 0.023 0.000 1.088 1199 D CA 0.030 54.051 54.000 0.035 0.000 0.882 1199 D CB 1.445 42.275 40.800 0.049 0.000 1.037 1199 D HN 0.502 nan 8.370 nan 0.000 0.520 1200 S N 2.889 118.600 115.700 0.020 0.000 2.442 1200 S HA 0.098 4.572 4.470 0.006 0.000 0.297 1200 S C 0.897 175.528 174.600 0.052 0.000 1.131 1200 S CA -0.616 57.615 58.200 0.052 0.000 1.092 1200 S CB 1.615 64.894 63.200 0.132 0.000 0.998 1200 S HN 0.387 nan 8.310 nan 0.000 0.478 1201 D N 3.477 123.889 120.400 0.020 0.000 2.384 1201 D HA -0.073 4.570 4.640 0.006 0.000 0.222 1201 D C 1.035 177.280 176.300 -0.092 0.000 0.976 1201 D CA 1.210 55.203 54.000 -0.012 0.000 0.915 1201 D CB 0.256 41.059 40.800 0.005 0.000 0.896 1201 D HN 0.777 nan 8.370 nan 0.000 0.523 1202 E N -1.465 118.656 120.200 -0.133 0.000 2.481 1202 E HA 0.131 4.485 4.350 0.006 0.000 0.198 1202 E C -0.467 175.656 176.600 -0.796 0.000 1.027 1202 E CA -0.148 56.027 56.400 -0.375 0.000 0.900 1202 E CB 0.514 30.042 29.700 -0.287 0.000 0.993 1202 E HN 0.199 nan 8.360 nan 0.000 0.482 1203 F N -0.132 119.642 119.950 -0.294 0.000 2.556 1203 F HA 0.336 4.867 4.527 0.006 0.000 0.314 1203 F C -0.464 175.262 175.800 -0.124 0.000 1.106 1203 F CA -1.222 56.628 58.000 -0.251 0.000 0.911 1203 F CB 1.045 39.923 39.000 -0.204 0.000 1.190 1203 F HN -0.152 nan 8.300 nan 0.000 0.448 1204 Y N 1.957 122.418 120.300 0.267 0.000 2.335 1204 Y HA 0.186 4.740 4.550 0.006 0.000 0.331 1204 Y C 0.981 177.258 175.900 0.628 0.000 1.094 1204 Y CA -0.640 57.667 58.100 0.345 0.000 1.253 1204 Y CB 0.717 39.343 38.460 0.276 0.000 1.203 1204 Y HN 0.572 nan 8.280 nan 0.000 0.508 1205 N N -1.592 117.565 118.700 0.762 0.000 2.159 1205 N HA 0.076 4.819 4.740 0.006 0.000 0.217 1205 N C -0.488 175.367 175.510 0.574 0.000 1.223 1205 N CA -0.099 53.357 53.050 0.677 0.000 0.896 1205 N CB 0.352 39.171 38.487 0.553 0.000 1.064 1205 N HN 0.305 nan 8.380 nan 0.000 0.518 1206 T N 1.517 116.374 114.554 0.504 0.000 2.767 1206 T HA 0.517 4.871 4.350 0.006 0.000 0.284 1206 T C -0.210 174.475 174.700 -0.025 0.000 0.973 1206 T CA -0.383 61.876 62.100 0.264 0.000 0.996 1206 T CB 1.161 70.139 68.868 0.182 0.000 0.927 1206 T HN 0.069 nan 8.240 nan 0.000 0.456 1207 I N 2.533 123.026 120.570 -0.128 0.000 2.603 1207 I HA 0.407 4.581 4.170 0.006 0.000 0.300 1207 I C 0.052 176.125 176.117 -0.074 0.000 1.017 1207 I CA -0.902 60.211 61.300 -0.313 0.000 1.098 1207 I CB 2.222 39.975 38.000 -0.412 0.000 1.279 1207 I HN 0.429 nan 8.210 nan 0.000 0.437 1208 Q N 5.794 125.538 119.800 -0.092 0.000 2.368 1208 Q HA 0.456 4.799 4.340 0.006 0.000 0.263 1208 Q C -1.032 174.866 176.000 -0.171 0.000 1.009 1208 Q CA -0.658 55.041 55.803 -0.173 0.000 0.818 1208 Q CB 1.837 30.461 28.738 -0.191 0.000 1.239 1208 Q HN 0.637 nan 8.270 nan 0.000 0.464 1209 I N 4.623 125.082 120.570 -0.185 0.000 2.452 1209 I HA 0.142 4.316 4.170 0.006 0.000 0.287 1209 I C -0.669 175.335 176.117 -0.189 0.000 1.079 1209 I CA 0.079 61.293 61.300 -0.144 0.000 1.387 1209 I CB 0.113 38.027 38.000 -0.143 0.000 1.404 1209 I HN 0.540 nan 8.210 nan 0.000 0.522 1210 K N 5.669 125.959 120.400 -0.183 0.000 2.316 1210 K HA 0.540 4.864 4.320 0.006 0.000 0.234 1210 K C -1.082 175.326 176.600 -0.320 0.000 1.054 1210 K CA -0.854 55.228 56.287 -0.342 0.000 0.879 1210 K CB 1.472 33.624 32.500 -0.580 0.000 1.252 1210 K HN 0.386 nan 8.250 nan 0.000 0.471 1211 E N 0.460 120.381 120.200 -0.466 0.000 2.448 1211 E HA 0.215 4.569 4.350 0.006 0.000 0.288 1211 E C -1.110 175.247 176.600 -0.405 0.000 0.936 1211 E CA -0.048 56.153 56.400 -0.333 0.000 0.809 1211 E CB 0.097 29.658 29.700 -0.232 0.000 1.408 1211 E HN 0.500 nan 8.360 nan 0.000 0.393 1212 Y N 0.856 121.024 120.300 -0.220 0.000 2.510 1212 Y HA 0.225 4.779 4.550 0.007 0.000 0.273 1212 Y C 0.837 176.464 175.900 -0.455 0.000 1.119 1212 Y CA -0.031 57.930 58.100 -0.231 0.000 1.286 1212 Y CB 0.482 38.910 38.460 -0.053 0.000 1.061 1212 Y HN 0.397 nan 8.280 nan 0.000 0.542 1213 D N 1.052 121.072 120.400 -0.632 0.000 2.350 1213 D HA 0.007 4.651 4.640 0.006 0.000 0.249 1213 D C 0.504 176.668 176.300 -0.228 0.000 1.119 1213 D CA 0.323 53.943 54.000 -0.633 0.000 0.886 1213 D CB 1.056 41.487 40.800 -0.614 0.000 1.195 1213 D HN 0.381 nan 8.370 nan 0.000 0.437 1214 E N 1.402 121.540 120.200 -0.103 0.000 2.400 1214 E HA -0.009 4.345 4.350 0.006 0.000 0.195 1214 E C 0.232 176.814 176.600 -0.030 0.000 1.012 1214 E CA -0.046 56.328 56.400 -0.043 0.000 0.875 1214 E CB 0.447 30.144 29.700 -0.005 0.000 0.859 1214 E HN 0.442 nan 8.360 nan 0.000 0.498 1215 Q N 0.927 120.712 119.800 -0.025 0.000 2.212 1215 Q HA 0.294 4.637 4.340 0.006 0.000 0.238 1215 Q C -2.353 173.623 176.000 -0.039 0.000 0.955 1215 Q CA -2.452 53.347 55.803 -0.006 0.000 0.906 1215 Q CB -0.045 28.720 28.738 0.044 0.000 1.215 1215 Q HN -0.076 nan 8.270 nan 0.000 0.478 1216 P HA 0.064 nan 4.420 nan 0.000 0.265 1216 P C -0.580 176.680 177.300 -0.067 0.000 1.193 1216 P CA 0.513 63.548 63.100 -0.107 0.000 0.765 1216 P CB 0.573 32.108 31.700 -0.275 0.000 0.823 1217 T N 2.185 116.693 114.554 -0.075 0.000 2.886 1217 T HA 0.340 4.694 4.350 0.006 0.000 0.330 1217 T C -0.659 174.072 174.700 0.051 0.000 1.488 1217 T CA -0.284 61.762 62.100 -0.089 0.000 1.054 1217 T CB 0.397 69.241 68.868 -0.040 0.000 1.348 1217 T HN 0.054 nan 8.240 nan 0.000 0.489 1218 Y N 1.006 121.298 120.300 -0.012 0.000 2.458 1218 Y HA 0.452 5.005 4.550 0.006 0.000 0.256 1218 Y C 1.660 177.568 175.900 0.014 0.000 1.159 1218 Y CA -0.701 57.386 58.100 -0.022 0.000 1.261 1218 Y CB -0.104 38.312 38.460 -0.073 0.000 1.119 1218 Y HN 0.375 nan 8.280 nan 0.000 0.524 1219 S N 0.360 116.156 115.700 0.159 0.000 2.624 1219 S HA 0.475 4.949 4.470 0.006 0.000 0.263 1219 S C 0.194 174.868 174.600 0.124 0.000 1.287 1219 S CA -0.166 58.126 58.200 0.153 0.000 0.990 1219 S CB 0.898 64.174 63.200 0.127 0.000 0.950 1219 S HN 0.448 nan 8.310 nan 0.000 0.561 1220 C N 0.762 120.159 119.300 0.161 0.000 3.311 1220 C HA 0.819 5.283 4.460 0.006 0.000 0.325 1220 C C -1.770 173.345 174.990 0.208 0.000 1.352 1220 C CA -1.016 58.080 59.018 0.130 0.000 1.308 1220 C CB 0.629 28.449 27.740 0.133 0.000 1.619 1220 C HN 0.713 nan 8.230 nan 0.000 0.469 1221 Q N 0.498 120.400 119.800 0.169 0.000 2.399 1221 Q HA 0.867 5.210 4.340 0.006 0.000 0.276 1221 Q C -1.336 174.772 176.000 0.180 0.000 1.098 1221 Q CA -0.392 55.566 55.803 0.259 0.000 0.827 1221 Q CB 1.831 30.789 28.738 0.367 0.000 1.386 1221 Q HN 0.728 nan 8.270 nan 0.000 0.443 1222 L N 1.729 123.073 121.223 0.201 0.000 2.343 1222 L HA 0.584 4.928 4.340 0.006 0.000 0.278 1222 L C -1.239 175.694 176.870 0.105 0.000 0.996 1222 L CA -0.711 54.176 54.840 0.078 0.000 0.831 1222 L CB 1.175 43.234 42.059 -0.001 0.000 1.232 1222 L HN 0.396 nan 8.230 nan 0.000 0.413 1223 L N 2.842 124.098 121.223 0.055 0.000 2.329 1223 L HA 0.625 4.969 4.340 0.006 0.000 0.279 1223 L C -1.273 175.609 176.870 0.019 0.000 1.014 1223 L CA 0.105 55.019 54.840 0.123 0.000 0.814 1223 L CB 1.332 43.492 42.059 0.168 0.000 1.257 1223 L HN 0.270 nan 8.230 nan 0.000 0.424 1224 F N 4.607 124.620 119.950 0.105 0.000 2.385 1224 F HA 0.500 5.031 4.527 0.007 0.000 0.360 1224 F C 0.278 176.059 175.800 -0.032 0.000 1.122 1224 F CA -0.293 57.738 58.000 0.051 0.000 1.090 1224 F CB 1.087 40.122 39.000 0.058 0.000 1.150 1224 F HN 0.369 nan 8.300 nan 0.000 0.472 1225 K N 3.222 123.682 120.400 0.099 0.000 2.221 1225 K HA 0.304 4.628 4.320 0.006 0.000 0.243 1225 K C 0.717 177.207 176.600 -0.184 0.000 0.968 1225 K CA -0.990 55.298 56.287 0.000 0.000 0.846 1225 K CB 2.491 35.040 32.500 0.081 0.000 1.141 1225 K HN 0.499 nan 8.250 nan 0.000 0.434 1226 K N 0.911 121.187 120.400 -0.208 0.000 2.001 1226 K HA -0.170 4.154 4.320 0.006 0.000 0.214 1226 K C 0.320 176.902 176.600 -0.030 0.000 1.050 1226 K CA 2.052 58.212 56.287 -0.212 0.000 0.934 1226 K CB 0.166 32.650 32.500 -0.028 0.000 0.718 1226 K HN 0.763 nan 8.250 nan 0.000 0.443 1227 D N -2.408 117.983 120.400 -0.016 0.000 2.583 1227 D HA 0.048 4.692 4.640 0.006 0.000 0.248 1227 D C -0.102 176.138 176.300 -0.100 0.000 1.209 1227 D CA -0.397 53.585 54.000 -0.031 0.000 0.848 1227 D CB 1.113 41.913 40.800 0.000 0.000 1.431 1227 D HN -0.120 nan 8.370 nan 0.000 0.436 1228 E N 0.292 120.332 120.200 -0.266 0.000 2.233 1228 E HA -0.201 4.153 4.350 0.006 0.000 0.199 1228 E C 1.216 177.755 176.600 -0.102 0.000 1.004 1228 E CA 1.864 57.996 56.400 -0.445 0.000 0.819 1228 E CB 0.091 29.339 29.700 -0.753 0.000 0.738 1228 E HN 0.532 nan 8.360 nan 0.000 0.478 1229 E N 0.145 120.310 120.200 -0.058 0.000 2.079 1229 E HA 0.015 4.368 4.350 0.006 0.000 0.191 1229 E C 1.013 177.626 176.600 0.022 0.000 0.961 1229 E CA 0.516 56.915 56.400 -0.002 0.000 0.823 1229 E CB -0.078 29.618 29.700 -0.007 0.000 0.789 1229 E HN 0.158 nan 8.360 nan 0.000 0.459 1230 S N 0.840 116.549 115.700 0.016 0.000 2.589 1230 S HA -0.058 4.416 4.470 0.006 0.000 0.256 1230 S C 0.963 175.584 174.600 0.036 0.000 1.383 1230 S CA 0.552 58.767 58.200 0.024 0.000 0.983 1230 S CB 0.544 63.757 63.200 0.021 0.000 0.908 1230 S HN 0.283 nan 8.310 nan 0.000 0.572 1231 T N -2.912 111.662 114.554 0.034 0.000 3.228 1231 T HA 0.261 4.614 4.350 0.006 0.000 0.278 1231 T C -0.288 174.434 174.700 0.037 0.000 1.014 1231 T CA -0.445 61.680 62.100 0.042 0.000 0.904 1231 T CB -0.243 68.647 68.868 0.037 0.000 1.110 1231 T HN 0.610 nan 8.240 nan 0.000 0.541 1232 D N 2.771 123.188 120.400 0.028 0.000 2.393 1232 D HA 0.144 4.788 4.640 0.006 0.000 0.232 1232 D C -0.370 175.939 176.300 0.015 0.000 1.192 1232 D CA -0.050 53.960 54.000 0.018 0.000 0.882 1232 D CB 0.692 41.497 40.800 0.009 0.000 1.038 1232 D HN 0.485 nan 8.370 nan 0.000 0.499 1233 E N 4.036 124.259 120.200 0.038 0.000 2.167 1233 E HA 0.107 4.461 4.350 0.006 0.000 0.284 1233 E C 1.131 177.774 176.600 0.071 0.000 1.016 1233 E CA -0.712 55.728 56.400 0.066 0.000 0.817 1233 E CB 1.739 31.495 29.700 0.095 0.000 1.080 1233 E HN 0.424 nan 8.360 nan 0.000 0.397 1234 I N 1.780 122.401 120.570 0.086 0.000 2.500 1234 I HA 0.077 4.251 4.170 0.006 0.000 0.252 1234 I C 1.184 177.459 176.117 0.263 0.000 1.142 1234 I CA 1.000 62.385 61.300 0.141 0.000 1.451 1234 I CB -1.310 36.760 38.000 0.117 0.000 1.093 1234 I HN 0.699 nan 8.210 nan 0.000 0.430 1235 G N 0.365 109.331 108.800 0.276 0.000 2.369 1235 G HA2 0.258 4.221 3.960 0.006 0.000 0.293 1235 G HA3 0.258 4.221 3.960 0.006 0.000 0.293 1235 G C -1.458 173.659 174.900 0.362 0.000 1.301 1235 G CA -0.881 44.408 45.100 0.314 0.000 0.913 1235 G HN 0.015 nan 8.290 nan 0.000 0.540 1236 L N -0.039 121.430 121.223 0.410 0.000 2.322 1236 L HA 0.638 4.982 4.340 0.006 0.000 0.269 1236 L C 0.343 177.461 176.870 0.414 0.000 1.012 1236 L CA -1.145 53.929 54.840 0.390 0.000 0.815 1236 L CB 1.960 44.209 42.059 0.317 0.000 1.295 1236 L HN 0.457 nan 8.230 nan 0.000 0.438 1237 I N 1.016 121.790 120.570 0.340 0.000 2.416 1237 I HA 0.413 4.586 4.170 0.006 0.000 0.288 1237 I C 0.635 177.086 176.117 0.556 0.000 1.051 1237 I CA 0.285 61.774 61.300 0.314 0.000 1.375 1237 I CB 0.945 38.986 38.000 0.069 0.000 1.407 1237 I HN 0.756 nan 8.210 nan 0.000 0.516 1238 G N 6.713 115.867 108.800 0.589 0.000 2.896 1238 G HA2 0.677 4.641 3.960 0.006 0.000 0.247 1238 G HA3 0.677 4.641 3.960 0.006 0.000 0.247 1238 G C -1.204 174.096 174.900 0.665 0.000 1.187 1238 G CA -0.511 44.948 45.100 0.598 0.000 0.837 1238 G HN 0.393 nan 8.290 nan 0.000 0.559 1239 I N 0.241 121.102 120.570 0.487 0.000 2.582 1239 I HA 0.454 4.627 4.170 0.006 0.000 0.292 1239 I C -1.071 175.265 176.117 0.364 0.000 1.066 1239 I CA -0.652 60.900 61.300 0.421 0.000 1.053 1239 I CB 2.487 40.627 38.000 0.234 0.000 1.241 1239 I HN 0.611 nan 8.210 nan 0.000 0.421 1240 H N 4.985 124.221 119.070 0.277 0.000 2.747 1240 H HA 0.517 5.077 4.556 0.006 0.000 0.371 1240 H C -1.026 174.358 175.328 0.093 0.000 1.161 1240 H CA -0.734 55.361 56.048 0.079 0.000 1.167 1240 H CB 2.082 31.806 29.762 -0.064 0.000 1.732 1240 H HN 0.415 nan 8.280 nan 0.000 0.544 1241 R N 3.941 124.067 120.500 -0.623 0.000 2.255 1241 R HA 0.294 4.638 4.340 0.006 0.000 0.326 1241 R C -1.421 174.786 176.300 -0.154 0.000 0.986 1241 R CA -0.459 55.517 56.100 -0.208 0.000 0.847 1241 R CB 0.224 30.357 30.300 -0.280 0.000 1.111 1241 R HN 0.387 nan 8.270 nan 0.000 0.452 1242 F N 3.062 123.207 119.950 0.325 0.000 2.492 1242 F HA 0.305 4.836 4.527 0.006 0.000 0.327 1242 F C -0.226 175.829 175.800 0.424 0.000 1.079 1242 F CA -0.877 57.338 58.000 0.358 0.000 0.967 1242 F CB 1.017 40.179 39.000 0.270 0.000 1.169 1242 F HN 0.391 nan 8.300 nan 0.000 0.472 1243 Y N 1.935 122.472 120.300 0.395 0.000 2.323 1243 Y HA 0.483 5.036 4.550 0.006 0.000 0.331 1243 Y C -0.785 175.168 175.900 0.088 0.000 1.092 1243 Y CA -1.034 57.134 58.100 0.113 0.000 1.150 1243 Y CB 0.922 39.403 38.460 0.035 0.000 1.200 1243 Y HN 0.611 nan 8.280 nan 0.000 0.472 1244 E N 3.723 123.563 120.200 -0.600 0.000 2.244 1244 E HA 0.270 4.624 4.350 0.006 0.000 0.260 1244 E C -1.426 174.785 176.600 -0.649 0.000 0.884 1244 E CA -0.713 55.430 56.400 -0.429 0.000 0.777 1244 E CB 1.796 31.419 29.700 -0.128 0.000 1.197 1244 E HN 0.437 nan 8.360 nan 0.000 0.416 1245 S N 2.309 117.694 115.700 -0.525 0.000 2.594 1245 S HA 0.622 5.096 4.470 0.006 0.000 0.322 1245 S C -0.177 174.346 174.600 -0.129 0.000 1.085 1245 S CA -0.446 57.548 58.200 -0.343 0.000 1.116 1245 S CB 0.664 63.718 63.200 -0.243 0.000 0.979 1245 S HN 0.624 nan 8.310 nan 0.000 0.465 1246 G N 2.653 111.414 108.800 -0.067 0.000 2.820 1246 G HA2 0.464 4.428 3.960 0.006 0.000 0.291 1246 G HA3 0.464 4.428 3.960 0.006 0.000 0.291 1246 G C 1.078 175.957 174.900 -0.035 0.000 1.323 1246 G CA -0.684 44.404 45.100 -0.020 0.000 1.055 1246 G HN 0.837 nan 8.290 nan 0.000 0.520 1247 I N -1.586 118.963 120.570 -0.036 0.000 2.335 1247 I HA -0.110 4.064 4.170 0.006 0.000 0.251 1247 I C 1.727 177.772 176.117 -0.119 0.000 1.129 1247 I CA 2.192 63.456 61.300 -0.060 0.000 1.402 1247 I CB -0.396 37.575 38.000 -0.048 0.000 1.069 1247 I HN 0.222 nan 8.210 nan 0.000 0.424 1248 V N -2.878 116.917 119.914 -0.197 0.000 3.219 1248 V HA 0.385 4.509 4.120 0.006 0.000 0.240 1248 V C 0.563 176.335 176.094 -0.537 0.000 1.222 1248 V CA -0.330 61.714 62.300 -0.427 0.000 1.181 1248 V CB -0.688 30.725 31.823 -0.685 0.000 0.941 1248 V HN 0.197 nan 8.190 nan 0.000 0.471 1249 F N 1.954 121.882 119.950 -0.037 0.000 2.436 1249 F HA 0.692 5.223 4.527 0.006 0.000 0.340 1249 F C 0.193 175.937 175.800 -0.093 0.000 1.113 1249 F CA -0.552 57.419 58.000 -0.049 0.000 1.022 1249 F CB 1.613 40.587 39.000 -0.042 0.000 1.128 1249 F HN 0.122 nan 8.300 nan 0.000 0.466 1250 E N 4.925 125.181 120.200 0.093 0.000 2.182 1250 E HA 0.422 4.775 4.350 0.006 0.000 0.258 1250 E C -1.233 175.342 176.600 -0.041 0.000 0.879 1250 E CA -0.332 56.040 56.400 -0.047 0.000 0.754 1250 E CB 1.194 30.900 29.700 0.010 0.000 1.162 1250 E HN 0.902 nan 8.360 nan 0.000 0.419 1251 E N 2.999 123.084 120.200 -0.192 0.000 2.432 1251 E HA 0.213 4.567 4.350 0.006 0.000 0.279 1251 E C -1.541 174.940 176.600 -0.198 0.000 1.099 1251 E CA -0.865 55.468 56.400 -0.113 0.000 0.859 1251 E CB 0.604 30.310 29.700 0.010 0.000 1.402 1251 E HN 0.303 nan 8.360 nan 0.000 0.451 1252 Y N 0.438 120.831 120.300 0.154 0.000 2.387 1252 Y HA 0.556 5.110 4.550 0.006 0.000 0.336 1252 Y C 0.069 176.045 175.900 0.127 0.000 1.067 1252 Y CA -0.437 57.774 58.100 0.185 0.000 1.114 1252 Y CB 2.009 40.567 38.460 0.164 0.000 1.208 1252 Y HN 0.277 nan 8.280 nan 0.000 0.458 1253 K N 1.933 122.549 120.400 0.360 0.000 2.464 1253 K HA 0.348 4.671 4.320 0.006 0.000 0.253 1253 K C -1.838 174.960 176.600 0.330 0.000 0.933 1253 K CA -1.010 55.413 56.287 0.227 0.000 0.801 1253 K CB 2.115 34.716 32.500 0.168 0.000 1.271 1253 K HN 0.546 nan 8.250 nan 0.000 0.430 1254 D N 1.114 121.581 120.400 0.112 0.000 2.163 1254 D HA 0.361 5.005 4.640 0.006 0.000 0.248 1254 D C -0.905 175.436 176.300 0.070 0.000 1.035 1254 D CA 0.080 54.210 54.000 0.217 0.000 0.872 1254 D CB 0.821 41.678 40.800 0.095 0.000 1.183 1254 D HN 0.226 nan 8.370 nan 0.000 0.445 1255 Y N 0.120 120.651 120.300 0.385 0.000 2.633 1255 Y HA 0.386 4.940 4.550 0.006 0.000 0.339 1255 Y C -0.239 175.930 175.900 0.448 0.000 1.045 1255 Y CA -1.281 57.021 58.100 0.338 0.000 1.098 1255 Y CB 0.997 39.593 38.460 0.227 0.000 1.296 1255 Y HN 0.208 nan 8.280 nan 0.000 0.494 1256 F N 2.794 122.968 119.950 0.375 0.000 2.434 1256 F HA 0.417 4.947 4.527 0.006 0.000 0.358 1256 F C -0.407 175.596 175.800 0.339 0.000 1.136 1256 F CA -0.859 57.334 58.000 0.321 0.000 1.157 1256 F CB -0.706 38.419 39.000 0.208 0.000 1.167 1256 F HN 0.421 nan 8.300 nan 0.000 0.539 1257 C N 6.050 125.538 119.300 0.313 0.000 2.967 1257 C HA 0.640 5.104 4.460 0.006 0.000 0.372 1257 C C -0.078 174.981 174.990 0.114 0.000 1.455 1257 C CA -1.144 57.988 59.018 0.190 0.000 1.638 1257 C CB 1.922 29.868 27.740 0.343 0.000 2.096 1257 C HN 0.746 nan 8.230 nan 0.000 0.466 1258 I N 1.605 122.227 120.570 0.087 0.000 2.478 1258 I HA 0.538 4.712 4.170 0.006 0.000 0.287 1258 I C -0.693 175.521 176.117 0.161 0.000 1.042 1258 I CA 0.538 61.914 61.300 0.126 0.000 1.067 1258 I CB 1.301 39.265 38.000 -0.059 0.000 1.233 1258 I HN 0.682 nan 8.210 nan 0.000 0.431 1259 S N 5.512 121.408 115.700 0.326 0.000 2.536 1259 S HA 0.469 4.943 4.470 0.006 0.000 0.287 1259 S C 0.323 175.097 174.600 0.291 0.000 1.101 1259 S CA -0.693 57.647 58.200 0.233 0.000 0.950 1259 S CB 2.068 65.280 63.200 0.020 0.000 1.056 1259 S HN 0.774 nan 8.310 nan 0.000 0.481 1260 K N 1.992 122.540 120.400 0.246 0.000 2.314 1260 K HA 0.023 4.347 4.320 0.006 0.000 0.198 1260 K C 1.301 177.990 176.600 0.149 0.000 1.045 1260 K CA 0.452 56.862 56.287 0.204 0.000 0.988 1260 K CB -0.071 32.526 32.500 0.162 0.000 0.783 1260 K HN 0.750 nan 8.250 nan 0.000 0.484 1261 W N 1.204 122.455 121.300 -0.081 0.000 2.321 1261 W HA -0.279 4.385 4.660 0.006 0.000 0.306 1261 W C 1.271 177.727 176.519 -0.106 0.000 1.217 1261 W CA 1.709 58.965 57.345 -0.148 0.000 1.257 1261 W CB -0.311 28.984 29.460 -0.274 0.000 1.145 1261 W HN 0.055 nan 8.180 nan 0.000 0.509 1262 Y N 0.103 120.445 120.300 0.069 0.000 2.274 1262 Y HA -0.224 4.330 4.550 0.007 0.000 0.290 1262 Y C 2.470 178.223 175.900 -0.245 0.000 1.145 1262 Y CA 1.580 59.597 58.100 -0.138 0.000 1.203 1262 Y CB -1.377 37.127 38.460 0.074 0.000 0.984 1262 Y HN -0.068 nan 8.280 nan 0.000 0.533 1263 L N 0.506 121.733 121.223 0.008 0.000 2.089 1263 L HA -0.322 4.022 4.340 0.006 0.000 0.213 1263 L C 2.352 179.118 176.870 -0.173 0.000 1.079 1263 L CA 2.309 57.105 54.840 -0.073 0.000 0.758 1263 L CB -0.602 41.456 42.059 -0.000 0.000 0.891 1263 L HN 0.372 nan 8.230 nan 0.000 0.433 1264 K N -1.502 118.758 120.400 -0.234 0.000 2.242 1264 K HA -0.015 4.309 4.320 0.006 0.000 0.200 1264 K C 1.702 178.116 176.600 -0.310 0.000 1.050 1264 K CA 0.229 56.370 56.287 -0.243 0.000 0.981 1264 K CB -0.057 32.304 32.500 -0.231 0.000 0.795 1264 K HN 0.061 nan 8.250 nan 0.000 0.477 1265 E N 1.756 121.680 120.200 -0.460 0.000 2.077 1265 E HA -0.130 4.223 4.350 0.006 0.000 0.193 1265 E C 2.262 178.668 176.600 -0.325 0.000 0.989 1265 E CA 1.725 57.842 56.400 -0.472 0.000 0.800 1265 E CB -0.300 28.974 29.700 -0.710 0.000 0.746 1265 E HN 0.388 nan 8.360 nan 0.000 0.452 1266 V N -0.980 118.762 119.914 -0.286 0.000 3.078 1266 V HA -0.091 4.032 4.120 0.006 0.000 0.265 1266 V C 1.770 177.817 176.094 -0.079 0.000 1.122 1266 V CA 1.326 63.509 62.300 -0.194 0.000 1.141 1266 V CB -0.534 31.041 31.823 -0.414 0.000 0.735 1266 V HN 0.039 nan 8.190 nan 0.000 0.498 1267 K N 0.012 120.331 120.400 -0.134 0.000 2.361 1267 K HA 0.170 4.494 4.320 0.006 0.000 0.196 1267 K C 1.104 177.688 176.600 -0.026 0.000 1.039 1267 K CA -0.107 56.149 56.287 -0.052 0.000 1.001 1267 K CB 0.096 32.552 32.500 -0.073 0.000 0.795 1267 K HN 0.488 nan 8.250 nan 0.000 0.495 1268 R N 1.367 121.821 120.500 -0.077 0.000 2.827 1268 R HA 0.097 4.440 4.340 0.006 0.000 0.269 1268 R C -0.145 176.149 176.300 -0.010 0.000 1.048 1268 R CA 0.538 56.599 56.100 -0.065 0.000 1.173 1268 R CB 0.410 30.641 30.300 -0.115 0.000 1.070 1268 R HN -0.156 nan 8.270 nan 0.000 0.498 1269 K N 2.202 122.600 120.400 -0.003 0.000 2.501 1269 K HA 0.326 4.650 4.320 0.006 0.000 0.252 1269 K C -2.191 174.416 176.600 0.010 0.000 0.934 1269 K CA -1.612 54.692 56.287 0.028 0.000 0.797 1269 K CB 1.767 34.288 32.500 0.035 0.000 1.270 1269 K HN 0.594 nan 8.250 nan 0.000 0.431 1270 P HA 0.076 nan 4.420 nan 0.000 0.270 1270 P C -0.602 176.733 177.300 0.059 0.000 1.223 1270 P CA -0.347 62.785 63.100 0.054 0.000 0.785 1270 P CB 0.417 32.145 31.700 0.046 0.000 0.923 1271 Y N 1.811 122.114 120.300 0.005 0.000 2.632 1271 Y HA -0.011 4.543 4.550 0.007 0.000 0.329 1271 Y C 0.838 176.739 175.900 0.001 0.000 1.174 1271 Y CA -0.085 58.017 58.100 0.004 0.000 1.469 1271 Y CB -0.004 38.469 38.460 0.022 0.000 1.242 1271 Y HN 0.307 nan 8.280 nan 0.000 0.540 1272 N N 6.575 124.870 118.700 -0.675 0.000 2.402 1272 N HA 0.037 4.781 4.740 0.006 0.000 0.259 1272 N C 0.396 175.681 175.510 -0.375 0.000 1.167 1272 N CA 0.327 53.129 53.050 -0.413 0.000 0.949 1272 N CB 0.164 38.448 38.487 -0.339 0.000 1.212 1272 N HN 0.907 nan 8.380 nan 0.000 0.493 1273 L N 2.377 123.558 121.223 -0.069 0.000 2.291 1273 L HA -0.021 4.323 4.340 0.006 0.000 0.214 1273 L C 1.757 178.622 176.870 -0.009 0.000 1.120 1273 L CA 0.681 55.556 54.840 0.060 0.000 0.799 1273 L CB -0.125 41.989 42.059 0.092 0.000 0.925 1273 L HN 0.335 nan 8.230 nan 0.000 0.446 1274 K N 0.552 120.925 120.400 -0.045 0.000 2.525 1274 K HA 0.140 4.464 4.320 0.006 0.000 0.192 1274 K C 0.638 177.203 176.600 -0.058 0.000 1.029 1274 K CA 0.118 56.377 56.287 -0.047 0.000 1.029 1274 K CB -0.153 32.330 32.500 -0.029 0.000 0.814 1274 K HN 0.297 nan 8.250 nan 0.000 0.503 1275 L N 0.874 122.052 121.223 -0.076 0.000 2.525 1275 L HA -0.037 4.307 4.340 0.006 0.000 0.278 1275 L C 1.625 178.431 176.870 -0.106 0.000 1.218 1275 L CA -0.027 54.792 54.840 -0.035 0.000 0.878 1275 L CB 0.473 42.471 42.059 -0.101 0.000 1.127 1275 L HN 0.209 nan 8.230 nan 0.000 0.492 1276 G N 1.948 110.749 108.800 0.003 0.000 2.708 1276 G HA2 -0.151 3.812 3.960 0.006 0.000 0.210 1276 G HA3 -0.151 3.812 3.960 0.006 0.000 0.210 1276 G C 1.070 175.682 174.900 -0.481 0.000 1.141 1276 G CA 0.532 45.544 45.100 -0.147 0.000 0.788 1276 G HN 0.898 nan 8.290 nan 0.000 0.531 1277 C N -1.602 117.299 119.300 -0.665 0.000 2.974 1277 C HA 0.395 4.859 4.460 0.006 0.000 0.282 1277 C C 0.498 175.270 174.990 -0.362 0.000 1.292 1277 C CA -1.772 56.838 59.018 -0.680 0.000 1.710 1277 C CB -1.577 25.569 27.740 -0.990 0.000 2.036 1277 C HN 0.205 nan 8.230 nan 0.000 0.629 1278 N N 0.859 119.304 118.700 -0.425 0.000 2.414 1278 N HA 0.453 5.196 4.740 0.006 0.000 0.256 1278 N C -1.103 174.161 175.510 -0.410 0.000 1.029 1278 N CA -0.133 52.791 53.050 -0.210 0.000 0.948 1278 N CB 0.590 39.042 38.487 -0.057 0.000 1.102 1278 N HN 0.565 nan 8.380 nan 0.000 0.496 1279 W N 0.945 122.230 121.300 -0.025 0.000 2.719 1279 W HA 0.506 5.170 4.660 0.006 0.000 0.352 1279 W C -0.149 176.345 176.519 -0.041 0.000 1.085 1279 W CA -0.624 56.659 57.345 -0.104 0.000 1.187 1279 W CB 1.177 30.491 29.460 -0.244 0.000 1.417 1279 W HN 0.140 nan 8.180 nan 0.000 0.557 1280 Q N 1.053 120.973 119.800 0.201 0.000 2.315 1280 Q HA 0.430 4.774 4.340 0.006 0.000 0.273 1280 Q C -1.611 174.347 176.000 -0.070 0.000 1.053 1280 Q CA -0.965 54.951 55.803 0.189 0.000 0.817 1280 Q CB 2.545 31.529 28.738 0.410 0.000 1.326 1280 Q HN 0.285 nan 8.270 nan 0.000 0.423 1281 F N 2.383 122.302 119.950 -0.051 0.000 2.408 1281 F HA 0.486 5.017 4.527 0.007 0.000 0.344 1281 F C 0.091 175.790 175.800 -0.168 0.000 1.112 1281 F CA -0.561 57.304 58.000 -0.224 0.000 1.096 1281 F CB 0.852 39.377 39.000 -0.792 0.000 1.129 1281 F HN 0.293 nan 8.300 nan 0.000 0.486 1282 I N 5.935 126.606 120.570 0.169 0.000 2.390 1282 I HA 0.331 4.505 4.170 0.006 0.000 0.283 1282 I C -2.516 173.938 176.117 0.561 0.000 1.016 1282 I CA -1.997 59.390 61.300 0.145 0.000 1.151 1282 I CB 1.375 39.264 38.000 -0.185 0.000 1.293 1282 I HN 0.286 nan 8.210 nan 0.000 0.458 1283 P HA 0.249 nan 4.420 nan 0.000 0.285 1283 P C -0.918 176.707 177.300 0.541 0.000 1.269 1283 P CA -0.821 62.616 63.100 0.562 0.000 0.844 1283 P CB 1.247 33.242 31.700 0.492 0.000 1.094 1284 K N 1.572 122.088 120.400 0.194 0.000 2.489 1284 K HA 0.067 4.391 4.320 0.006 0.000 0.278 1284 K C -0.253 176.437 176.600 0.150 0.000 1.000 1284 K CA 0.964 57.202 56.287 -0.083 0.000 1.012 1284 K CB -0.171 32.195 32.500 -0.223 0.000 0.903 1284 K HN 0.578 nan 8.250 nan 0.000 0.485 1285 D N 0.250 120.778 120.400 0.215 0.000 2.964 1285 D HA 0.012 4.656 4.640 0.006 0.000 0.234 1285 D C 0.884 177.231 176.300 0.078 0.000 1.223 1285 D CA -0.442 53.587 54.000 0.048 0.000 0.889 1285 D CB 1.093 41.688 40.800 -0.341 0.000 1.609 1285 D HN 0.508 nan 8.370 nan 0.000 0.523 1286 E N 1.800 122.041 120.200 0.067 0.000 2.267 1286 E HA -0.139 4.214 4.350 0.006 0.000 0.197 1286 E C 1.382 178.108 176.600 0.210 0.000 0.998 1286 E CA 1.044 57.521 56.400 0.129 0.000 0.830 1286 E CB -0.097 29.657 29.700 0.089 0.000 0.751 1286 E HN 0.455 nan 8.360 nan 0.000 0.491 1287 G N 0.198 109.099 108.800 0.169 0.000 2.920 1287 G HA2 -0.130 3.833 3.960 0.006 0.000 0.208 1287 G HA3 -0.130 3.833 3.960 0.006 0.000 0.208 1287 G C -0.381 174.478 174.900 -0.069 0.000 1.159 1287 G CA -0.261 44.888 45.100 0.081 0.000 0.784 1287 G HN 0.309 nan 8.290 nan 0.000 0.535 1288 W N 2.269 123.453 121.300 -0.194 0.000 2.687 1288 W HA 0.478 5.142 4.660 0.006 0.000 0.328 1288 W C -0.932 175.587 176.519 0.001 0.000 1.012 1288 W CA -0.681 56.564 57.345 -0.166 0.000 1.262 1288 W CB 1.494 30.861 29.460 -0.154 0.000 1.331 1288 W HN 0.020 nan 8.180 nan 0.000 0.433 1289 T N 2.081 116.368 114.554 -0.445 0.000 2.863 1289 T HA 0.709 5.063 4.350 0.006 0.000 0.285 1289 T C -0.468 174.004 174.700 -0.381 0.000 1.009 1289 T CA -0.515 61.484 62.100 -0.168 0.000 0.989 1289 T CB 2.870 71.672 68.868 -0.110 0.000 1.004 1289 T HN 0.547 nan 8.240 nan 0.000 0.455 1290 E N 0.000 120.170 120.200 -0.050 0.000 2.725 1290 E HA 0.000 4.354 4.350 0.006 0.000 0.291 1290 E CA 0.000 56.430 56.400 0.050 0.000 0.976 1290 E CB 0.000 29.810 29.700 0.184 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440