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 1g9c_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 XXGICIDVDN 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 0.000 177.302 177.300 0.003 0.000 1.155 1 P CA 0.000 63.103 63.100 0.004 0.000 0.800 1 P CB 0.000 31.702 31.700 0.004 0.000 0.726 2 V N 0.124 120.044 119.914 0.010 0.000 2.435 2 V HA 0.551 4.671 4.120 0.001 0.000 0.290 2 V C 0.054 176.151 176.094 0.004 0.000 1.030 2 V CA -0.093 62.214 62.300 0.012 0.000 0.881 2 V CB 1.527 33.371 31.823 0.034 0.000 0.983 2 V HN 0.640 nan 8.190 nan 0.000 0.445 3 T N 6.206 120.752 114.554 -0.013 0.000 2.758 3 T HA 0.516 4.866 4.350 0.001 0.000 0.285 3 T C -0.243 174.425 174.700 -0.054 0.000 0.981 3 T CA -0.247 61.833 62.100 -0.033 0.000 0.965 3 T CB 0.527 69.369 68.868 -0.043 0.000 0.927 3 T HN 0.288 nan 8.240 nan 0.000 0.448 4 I N 4.512 125.045 120.570 -0.062 0.000 2.304 4 I HA 0.284 4.454 4.170 0.001 0.000 0.291 4 I C 0.583 176.585 176.117 -0.193 0.000 1.018 4 I CA -0.837 60.396 61.300 -0.112 0.000 1.260 4 I CB 0.537 38.499 38.000 -0.063 0.000 1.390 4 I HN 0.514 nan 8.210 nan 0.000 0.475 5 N N 5.962 124.500 118.700 -0.272 0.000 2.381 5 N HA 0.287 5.027 4.740 0.001 0.000 0.254 5 N C -0.196 174.839 175.510 -0.791 0.000 1.264 5 N CA -0.203 52.601 53.050 -0.410 0.000 0.942 5 N CB 0.863 39.172 38.487 -0.297 0.000 1.190 5 N HN 0.486 nan 8.380 nan 0.000 0.495 6 N N 0.083 118.293 118.700 -0.816 0.000 2.240 6 N HA 0.610 5.351 4.740 0.001 0.000 0.302 6 N C -1.049 173.973 175.510 -0.814 0.000 1.106 6 N CA -0.236 52.318 53.050 -0.828 0.000 0.778 6 N CB 1.768 40.053 38.487 -0.336 0.000 1.431 6 N HN 0.378 nan 8.380 nan 0.000 0.479 7 F N -1.682 118.279 119.950 0.017 0.000 2.878 7 F HA 0.409 4.936 4.527 0.000 0.000 0.322 7 F C -1.208 174.605 175.800 0.021 0.000 1.154 7 F CA -1.240 56.797 58.000 0.062 0.000 0.896 7 F CB 0.556 39.665 39.000 0.182 0.000 1.313 7 F HN 0.124 nan 8.300 nan 0.000 0.451 8 N N 0.231 119.131 118.700 0.334 0.000 2.335 8 N HA 0.195 4.936 4.740 0.001 0.000 0.304 8 N C 0.099 175.727 175.510 0.198 0.000 1.135 8 N CA -0.643 52.529 53.050 0.203 0.000 0.817 8 N CB 1.818 40.399 38.487 0.157 0.000 1.294 8 N HN 0.852 nan 8.380 nan 0.000 0.497 9 Y N 2.015 122.320 120.300 0.008 0.000 2.193 9 Y HA -0.148 4.402 4.550 0.001 0.000 0.285 9 Y C 1.305 177.368 175.900 0.272 0.000 1.166 9 Y CA 1.853 59.995 58.100 0.069 0.000 1.181 9 Y CB 0.002 38.476 38.460 0.024 0.000 0.976 9 Y HN 0.496 nan 8.280 nan 0.000 0.520 10 N N 0.807 119.592 118.700 0.142 0.000 2.461 10 N HA -0.053 4.688 4.740 0.001 0.000 0.188 10 N C -0.515 175.020 175.510 0.043 0.000 1.134 10 N CA 0.481 53.566 53.050 0.057 0.000 0.878 10 N CB -0.421 38.131 38.487 0.107 0.000 0.972 10 N HN 0.357 nan 8.380 nan 0.000 0.456 11 D N 1.550 122.011 120.400 0.100 0.000 2.423 11 D HA 0.117 4.758 4.640 0.001 0.000 0.238 11 D C -2.067 174.237 176.300 0.008 0.000 1.142 11 D CA -0.932 53.123 54.000 0.092 0.000 0.884 11 D CB 0.333 41.244 40.800 0.184 0.000 1.199 11 D HN 0.059 nan 8.370 nan 0.000 0.438 12 P HA 0.115 nan 4.420 nan 0.000 0.269 12 P C -0.119 177.137 177.300 -0.073 0.000 1.209 12 P CA -0.125 62.952 63.100 -0.039 0.000 0.776 12 P CB 0.534 32.224 31.700 -0.016 0.000 0.876 13 I N 2.807 123.315 120.570 -0.103 0.000 2.452 13 I HA 0.012 4.182 4.170 0.001 0.000 0.287 13 I C 0.834 176.907 176.117 -0.074 0.000 1.079 13 I CA 0.486 61.711 61.300 -0.125 0.000 1.387 13 I CB 0.487 38.407 38.000 -0.134 0.000 1.404 13 I HN 0.454 nan 8.210 nan 0.000 0.522 14 D N 4.269 124.636 120.400 -0.055 0.000 2.431 14 D HA -0.001 4.639 4.640 0.001 0.000 0.213 14 D C 0.403 176.693 176.300 -0.016 0.000 1.130 14 D CA -0.281 53.705 54.000 -0.023 0.000 0.834 14 D CB 0.004 40.804 40.800 0.001 0.000 0.985 14 D HN 0.453 nan 8.370 nan 0.000 0.504 15 N N 0.111 118.794 118.700 -0.029 0.000 2.713 15 N HA -0.256 4.484 4.740 0.001 0.000 0.251 15 N C 0.122 175.649 175.510 0.028 0.000 1.117 15 N CA 1.182 54.220 53.050 -0.019 0.000 0.770 15 N CB -1.679 36.790 38.487 -0.031 0.000 1.137 15 N HN 0.650 nan 8.380 nan 0.000 0.566 16 N N -0.528 118.211 118.700 0.065 0.000 3.326 16 N HA 0.125 4.865 4.740 0.001 0.000 0.234 16 N C 0.272 175.902 175.510 0.200 0.000 1.050 16 N CA -0.175 52.941 53.050 0.110 0.000 1.141 16 N CB 0.274 38.799 38.487 0.063 0.000 1.551 16 N HN -0.025 nan 8.380 nan 0.000 0.630 17 N N 0.353 119.127 118.700 0.124 0.000 2.282 17 N HA 0.322 5.063 4.740 0.001 0.000 0.185 17 N C -0.587 174.972 175.510 0.082 0.000 1.099 17 N CA 0.325 53.421 53.050 0.078 0.000 0.878 17 N CB 1.518 40.044 38.487 0.065 0.000 0.993 17 N HN 0.325 nan 8.380 nan 0.000 0.481 18 I N 2.031 122.627 120.570 0.044 0.000 2.497 18 I HA 0.371 4.542 4.170 0.001 0.000 0.284 18 I C -0.592 175.444 176.117 -0.135 0.000 1.060 18 I CA -0.694 60.497 61.300 -0.181 0.000 1.071 18 I CB 1.551 39.371 38.000 -0.300 0.000 1.216 18 I HN -0.143 nan 8.210 nan 0.000 0.442 19 I N 1.978 122.459 120.570 -0.149 0.000 3.322 19 I HA 0.640 4.810 4.170 0.001 0.000 0.313 19 I C -1.128 174.881 176.117 -0.181 0.000 1.129 19 I CA -1.133 60.072 61.300 -0.159 0.000 0.963 19 I CB 2.336 40.230 38.000 -0.178 0.000 1.273 19 I HN 0.228 nan 8.210 nan 0.000 0.473 20 M N 3.496 123.029 119.600 -0.112 0.000 2.036 20 M HA 0.438 4.918 4.480 0.001 0.000 0.337 20 M C -0.655 175.729 176.300 0.139 0.000 1.012 20 M CA -0.353 54.946 55.300 -0.001 0.000 0.962 20 M CB 0.836 33.396 32.600 -0.067 0.000 1.423 20 M HN 0.706 nan 8.290 nan 0.000 0.405 21 M N 2.252 121.907 119.600 0.091 0.000 2.314 21 M HA 0.284 4.765 4.480 0.001 0.000 0.342 21 M C -0.215 176.121 176.300 0.060 0.000 1.171 21 M CA -0.113 55.196 55.300 0.015 0.000 1.098 21 M CB 1.261 33.722 32.600 -0.231 0.000 1.559 21 M HN 0.640 nan 8.290 nan 0.000 0.459 22 E N 5.661 125.788 120.200 -0.122 0.000 2.070 22 E HA 0.399 4.750 4.350 0.001 0.000 0.261 22 E C -2.439 174.069 176.600 -0.153 0.000 0.926 22 E CA -2.151 54.021 56.400 -0.379 0.000 0.760 22 E CB 0.790 30.163 29.700 -0.544 0.000 1.133 22 E HN 0.360 nan 8.360 nan 0.000 0.420 23 P HA -0.027 nan 4.420 nan 0.000 0.265 23 P C -2.221 174.947 177.300 -0.219 0.000 1.187 23 P CA -0.876 62.136 63.100 -0.147 0.000 0.766 23 P CB 0.453 32.079 31.700 -0.125 0.000 0.820 24 P HA -0.194 nan 4.420 nan 0.000 0.216 24 P C 0.961 178.179 177.300 -0.136 0.000 1.157 24 P CA 1.680 64.633 63.100 -0.244 0.000 0.880 24 P CB -0.323 31.120 31.700 -0.429 0.000 0.791 25 F N -1.558 118.150 119.950 -0.402 0.000 2.802 25 F HA 0.072 4.600 4.527 0.001 0.000 0.300 25 F C 2.089 177.824 175.800 -0.108 0.000 1.168 25 F CA -0.126 57.661 58.000 -0.355 0.000 1.433 25 F CB -0.223 38.393 39.000 -0.640 0.000 1.115 25 F HN -0.064 nan 8.300 nan 0.000 0.582 26 A N 0.420 123.295 122.820 0.091 0.000 2.206 26 A HA 0.002 4.322 4.320 0.001 0.000 0.211 26 A C 1.369 178.964 177.584 0.018 0.000 1.158 26 A CA 0.081 52.224 52.037 0.177 0.000 0.761 26 A CB -0.428 18.645 19.000 0.122 0.000 0.801 26 A HN 0.444 nan 8.150 nan 0.000 0.473 27 R N -2.440 118.073 120.500 0.022 0.000 3.641 27 R HA -0.212 4.128 4.340 0.001 0.000 0.286 27 R C 0.917 176.979 176.300 -0.397 0.000 1.153 27 R CA 0.479 56.567 56.100 -0.021 0.000 0.775 27 R CB -2.503 27.800 30.300 0.005 0.000 1.215 27 R HN 1.545 nan 8.270 nan 0.000 0.474 28 G N -0.646 107.749 108.800 -0.674 0.000 2.198 28 G HA2 -0.390 3.570 3.960 0.001 0.000 0.260 28 G HA3 -0.390 3.570 3.960 0.001 0.000 0.260 28 G C 0.261 174.699 174.900 -0.770 0.000 1.025 28 G CA 1.144 45.329 45.100 -1.524 0.000 0.769 28 G HN 0.824 nan 8.290 nan 0.000 0.507 29 T N -3.957 110.361 114.554 -0.393 0.000 2.591 29 T HA 0.939 5.289 4.350 0.001 0.000 0.274 29 T C 1.411 176.036 174.700 -0.126 0.000 0.945 29 T CA 0.601 62.576 62.100 -0.208 0.000 1.087 29 T CB 1.558 70.345 68.868 -0.136 0.000 1.416 29 T HN 2.161 nan 8.240 nan 0.000 0.514 30 G N 1.189 109.957 108.800 -0.054 0.000 2.682 30 G HA2 -0.080 3.881 3.960 0.001 0.000 0.256 30 G HA3 -0.080 3.881 3.960 0.001 0.000 0.256 30 G C -0.228 174.668 174.900 -0.007 0.000 1.333 30 G CA 0.497 45.585 45.100 -0.020 0.000 0.904 30 G HN 1.006 nan 8.290 nan 0.000 0.569 31 R N -1.151 119.342 120.500 -0.012 0.000 2.583 31 R HA 0.637 4.977 4.340 0.001 0.000 0.268 31 R C -0.280 176.017 176.300 -0.006 0.000 1.101 31 R CA -0.366 55.739 56.100 0.007 0.000 1.180 31 R CB 0.001 30.220 30.300 -0.136 0.000 1.128 31 R HN 0.532 nan 8.270 nan 0.000 0.568 32 Y N 0.453 120.708 120.300 -0.076 0.000 2.488 32 Y HA 0.396 4.947 4.550 0.001 0.000 0.325 32 Y C -0.693 175.183 175.900 -0.040 0.000 1.204 32 Y CA -0.182 57.947 58.100 0.048 0.000 1.229 32 Y CB 1.149 39.611 38.460 0.003 0.000 1.274 32 Y HN 0.411 nan 8.280 nan 0.000 0.493 33 Y N 0.081 120.476 120.300 0.158 0.000 2.376 33 Y HA 0.327 4.877 4.550 0.001 0.000 0.340 33 Y C -0.090 175.845 175.900 0.059 0.000 0.965 33 Y CA -1.757 56.421 58.100 0.130 0.000 1.078 33 Y CB 1.556 40.120 38.460 0.174 0.000 1.193 33 Y HN 0.350 nan 8.280 nan 0.000 0.452 34 K N 2.420 122.924 120.400 0.174 0.000 2.412 34 K HA 0.552 4.872 4.320 0.001 0.000 0.284 34 K C -0.665 175.926 176.600 -0.015 0.000 1.046 34 K CA 0.061 56.329 56.287 -0.032 0.000 0.999 34 K CB 0.117 32.549 32.500 -0.114 0.000 0.941 34 K HN 0.817 nan 8.250 nan 0.000 0.474 35 A N 4.666 127.374 122.820 -0.187 0.000 2.350 35 A HA 0.666 4.987 4.320 0.001 0.000 0.324 35 A C -1.402 176.106 177.584 -0.126 0.000 1.118 35 A CA -0.767 51.263 52.037 -0.010 0.000 0.783 35 A CB 0.567 19.547 19.000 -0.034 0.000 1.236 35 A HN 0.596 nan 8.150 nan 0.000 0.457 36 F N 0.867 120.884 119.950 0.111 0.000 2.482 36 F HA 0.467 4.994 4.527 0.001 0.000 0.331 36 F C 0.581 176.238 175.800 -0.238 0.000 1.115 36 F CA -0.688 57.143 58.000 -0.282 0.000 0.955 36 F CB 2.113 40.521 39.000 -0.987 0.000 1.136 36 F HN 0.556 nan 8.300 nan 0.000 0.452 37 K N 4.134 124.326 120.400 -0.346 0.000 2.262 37 K HA 0.257 4.577 4.320 0.001 0.000 0.288 37 K C 0.943 177.489 176.600 -0.090 0.000 1.090 37 K CA -0.020 55.834 56.287 -0.723 0.000 0.918 37 K CB 0.291 32.206 32.500 -0.975 0.000 1.139 37 K HN 0.911 nan 8.250 nan 0.000 0.462 38 I N 3.031 123.527 120.570 -0.123 0.000 2.546 38 I HA -0.136 4.034 4.170 0.001 0.000 0.255 38 I C 0.245 176.222 176.117 -0.234 0.000 1.163 38 I CA 1.086 62.326 61.300 -0.099 0.000 1.457 38 I CB 0.331 38.069 38.000 -0.436 0.000 1.092 38 I HN 0.809 nan 8.210 nan 0.000 0.434 39 T N -3.692 110.703 114.554 -0.264 0.000 2.718 39 T HA 0.184 4.535 4.350 0.001 0.000 0.306 39 T C -1.002 173.568 174.700 -0.216 0.000 1.485 39 T CA -0.976 61.014 62.100 -0.184 0.000 0.997 39 T CB 0.893 69.703 68.868 -0.096 0.000 1.504 39 T HN -0.112 nan 8.240 nan 0.000 0.497 40 D N 1.544 121.863 120.400 -0.135 0.000 2.525 40 D HA 0.111 4.751 4.640 0.001 0.000 0.235 40 D C 0.804 177.048 176.300 -0.093 0.000 1.137 40 D CA 0.511 54.444 54.000 -0.113 0.000 0.868 40 D CB 0.342 41.108 40.800 -0.056 0.000 1.180 40 D HN 0.598 nan 8.370 nan 0.000 0.465 41 R N 0.665 121.128 120.500 -0.062 0.000 4.000 41 R HA -0.210 4.131 4.340 0.001 0.000 0.348 41 R C -0.286 176.041 176.300 0.045 0.000 1.204 41 R CA 0.750 56.885 56.100 0.059 0.000 0.987 41 R CB -2.080 28.267 30.300 0.078 0.000 1.446 41 R HN 0.562 nan 8.270 nan 0.000 0.555 42 I N -0.005 120.468 120.570 -0.162 0.000 2.447 42 I HA 0.311 4.481 4.170 0.001 0.000 0.287 42 I C -0.325 175.614 176.117 -0.296 0.000 1.023 42 I CA -0.673 60.578 61.300 -0.082 0.000 1.083 42 I CB 1.335 39.327 38.000 -0.013 0.000 1.245 42 I HN -0.120 nan 8.210 nan 0.000 0.434 43 W N 6.729 128.031 121.300 0.004 0.000 2.606 43 W HA 0.585 5.245 4.660 0.000 0.000 0.332 43 W C -0.590 175.921 176.519 -0.014 0.000 1.052 43 W CA -0.613 56.723 57.345 -0.015 0.000 1.223 43 W CB 1.362 30.794 29.460 -0.046 0.000 1.383 43 W HN 0.062 nan 8.180 nan 0.000 0.524 44 I N 4.375 125.099 120.570 0.257 0.000 2.362 44 I HA 0.335 4.505 4.170 0.001 0.000 0.289 44 I C -0.428 175.859 176.117 0.284 0.000 0.994 44 I CA -1.375 60.066 61.300 0.234 0.000 1.158 44 I CB 0.946 39.072 38.000 0.210 0.000 1.315 44 I HN 0.379 nan 8.210 nan 0.000 0.451 45 I N 8.575 129.218 120.570 0.121 0.000 2.388 45 I HA 0.209 4.379 4.170 0.001 0.000 0.281 45 I C -1.837 174.384 176.117 0.173 0.000 1.046 45 I CA -1.578 59.785 61.300 0.105 0.000 1.187 45 I CB 1.711 39.528 38.000 -0.306 0.000 1.351 45 I HN 0.265 nan 8.210 nan 0.000 0.472 46 P HA 0.068 nan 4.420 nan 0.000 0.235 46 P C -0.554 176.643 177.300 -0.172 0.000 1.670 46 P CA 0.584 63.644 63.100 -0.067 0.000 1.017 46 P CB -0.058 31.692 31.700 0.082 0.000 1.945 47 E N 0.753 120.920 120.200 -0.054 0.000 2.413 47 E HA 0.349 4.699 4.350 0.001 0.000 0.277 47 E C -0.257 176.428 176.600 0.142 0.000 0.958 47 E CA -1.175 55.258 56.400 0.055 0.000 0.779 47 E CB 1.599 31.473 29.700 0.290 0.000 1.278 47 E HN 0.080 nan 8.360 nan 0.000 0.456 48 R N 1.040 121.594 120.500 0.090 0.000 2.623 48 R HA 0.050 4.390 4.340 0.001 0.000 0.271 48 R C -0.487 175.934 176.300 0.202 0.000 1.043 48 R CA 0.092 56.284 56.100 0.153 0.000 1.083 48 R CB -0.194 30.124 30.300 0.030 0.000 0.974 48 R HN 0.526 nan 8.270 nan 0.000 0.436 49 Y N 2.021 122.394 120.300 0.121 0.000 2.539 49 Y HA -0.007 4.544 4.550 0.001 0.000 0.352 49 Y C 1.198 177.166 175.900 0.113 0.000 1.004 49 Y CA 0.321 58.426 58.100 0.009 0.000 1.278 49 Y CB 0.574 39.057 38.460 0.038 0.000 1.136 49 Y HN 0.673 nan 8.280 nan 0.000 0.528 50 T N 1.601 116.002 114.554 -0.254 0.000 3.001 50 T HA 0.191 4.541 4.350 0.001 0.000 0.251 50 T C 0.131 174.778 174.700 -0.088 0.000 1.040 50 T CA -0.279 61.813 62.100 -0.014 0.000 0.985 50 T CB -0.512 68.248 68.868 -0.179 0.000 1.011 50 T HN 0.325 nan 8.240 nan 0.000 0.509 51 F N 2.823 122.640 119.950 -0.221 0.000 2.590 51 F HA 0.424 4.951 4.527 0.000 0.000 0.389 51 F C 1.825 177.663 175.800 0.063 0.000 1.049 51 F CA 0.989 58.902 58.000 -0.145 0.000 1.199 51 F CB -0.273 38.535 39.000 -0.320 0.000 1.058 51 F HN 0.357 nan 8.300 nan 0.000 0.556 52 G N 1.968 110.848 108.800 0.134 0.000 2.179 52 G HA2 -0.317 3.644 3.960 0.001 0.000 0.260 52 G HA3 -0.317 3.644 3.960 0.001 0.000 0.260 52 G C -0.328 174.569 174.900 -0.005 0.000 0.977 52 G CA -0.331 44.771 45.100 0.003 0.000 0.641 52 G HN 0.600 nan 8.290 nan 0.000 0.533 53 Y N 0.011 120.446 120.300 0.225 0.000 2.567 53 Y HA 0.671 5.221 4.550 0.000 0.000 0.333 53 Y C 0.790 176.811 175.900 0.201 0.000 1.106 53 Y CA -0.972 57.248 58.100 0.200 0.000 1.157 53 Y CB 1.261 39.758 38.460 0.060 0.000 1.277 53 Y HN -0.026 nan 8.280 nan 0.000 0.490 54 K N 1.797 122.447 120.400 0.416 0.000 2.138 54 K HA 0.278 4.598 4.320 0.001 0.000 0.263 54 K C -2.180 174.642 176.600 0.370 0.000 0.965 54 K CA -1.701 54.764 56.287 0.296 0.000 0.868 54 K CB 1.336 33.967 32.500 0.219 0.000 1.083 54 K HN 0.250 nan 8.250 nan 0.000 0.443 55 P HA -0.281 nan 4.420 nan 0.000 0.215 55 P C 1.016 178.501 177.300 0.308 0.000 1.157 55 P CA 1.357 64.618 63.100 0.268 0.000 0.874 55 P CB 0.213 31.970 31.700 0.095 0.000 0.790 56 E N -0.456 119.858 120.200 0.191 0.000 2.268 56 E HA -0.208 4.142 4.350 0.001 0.000 0.195 56 E C 1.091 177.778 176.600 0.144 0.000 0.995 56 E CA 1.248 57.726 56.400 0.131 0.000 0.836 56 E CB -1.247 28.491 29.700 0.064 0.000 0.763 56 E HN 0.233 nan 8.360 nan 0.000 0.491 57 D N 0.319 120.840 120.400 0.201 0.000 2.309 57 D HA -0.098 4.543 4.640 0.001 0.000 0.212 57 D C 1.136 177.514 176.300 0.131 0.000 0.968 57 D CA 0.589 54.691 54.000 0.169 0.000 0.882 57 D CB -0.381 40.628 40.800 0.349 0.000 0.918 57 D HN 0.243 nan 8.370 nan 0.000 0.503 58 F N 0.606 120.636 119.950 0.133 0.000 2.661 58 F HA 0.020 4.547 4.527 0.001 0.000 0.298 58 F C 1.086 176.953 175.800 0.111 0.000 1.137 58 F CA 0.280 58.354 58.000 0.123 0.000 1.454 58 F CB 0.021 39.033 39.000 0.020 0.000 1.103 58 F HN -0.208 nan 8.300 nan 0.000 0.577 59 N N 0.987 119.758 118.700 0.118 0.000 2.487 59 N HA 0.064 4.805 4.740 0.001 0.000 0.292 59 N C -0.103 175.199 175.510 -0.347 0.000 1.108 59 N CA -0.486 52.534 53.050 -0.051 0.000 0.956 59 N CB 1.027 39.485 38.487 -0.049 0.000 1.176 59 N HN -0.141 nan 8.380 nan 0.000 0.484 60 K N 1.153 121.314 120.400 -0.399 0.000 2.382 60 K HA 0.113 4.433 4.320 0.001 0.000 0.275 60 K C -0.127 176.226 176.600 -0.411 0.000 1.009 60 K CA 0.260 56.154 56.287 -0.654 0.000 0.970 60 K CB 0.256 32.613 32.500 -0.238 0.000 0.934 60 K HN 0.834 nan 8.250 nan 0.000 0.479 61 S N 0.610 116.045 115.700 -0.442 0.000 2.819 61 S HA 0.216 4.686 4.470 0.001 0.000 0.299 61 S C 0.368 174.856 174.600 -0.187 0.000 1.192 61 S CA -0.188 57.862 58.200 -0.251 0.000 0.847 61 S CB 0.693 63.750 63.200 -0.239 0.000 1.224 61 S HN 0.500 nan 8.310 nan 0.000 0.537 62 S N -0.640 114.983 115.700 -0.128 0.000 2.701 62 S HA 0.418 4.888 4.470 0.001 0.000 0.220 62 S C 0.757 175.307 174.600 -0.084 0.000 0.954 62 S CA -0.051 58.098 58.200 -0.084 0.000 0.936 62 S CB -1.040 62.124 63.200 -0.061 0.000 0.777 62 S HN 1.206 nan 8.310 nan 0.000 0.518 63 G N 0.887 109.604 108.800 -0.139 0.000 2.644 63 G HA2 0.727 4.688 3.960 0.001 0.000 0.307 63 G HA3 0.727 4.688 3.960 0.001 0.000 0.307 63 G C -0.961 173.847 174.900 -0.154 0.000 1.250 63 G CA -1.058 43.956 45.100 -0.143 0.000 0.996 63 G HN 0.513 nan 8.290 nan 0.000 0.489 64 I N -4.115 116.368 120.570 -0.145 0.000 3.102 64 I HA 0.633 4.803 4.170 0.001 0.000 0.310 64 I C -0.447 175.569 176.117 -0.168 0.000 1.246 64 I CA -1.112 60.148 61.300 -0.067 0.000 0.979 64 I CB 1.616 39.659 38.000 0.071 0.000 1.267 64 I HN 0.412 nan 8.210 nan 0.000 0.451 65 F N 0.108 120.109 119.950 0.085 0.000 2.383 65 F HA 0.289 4.816 4.527 0.000 0.000 0.287 65 F C 1.092 176.898 175.800 0.010 0.000 1.069 65 F CA 0.531 58.566 58.000 0.058 0.000 1.402 65 F CB 0.386 39.425 39.000 0.065 0.000 1.116 65 F HN 0.574 nan 8.300 nan 0.000 0.549 66 N N 0.344 119.153 118.700 0.182 0.000 2.399 66 N HA 0.181 4.921 4.740 0.001 0.000 0.280 66 N C 0.361 175.882 175.510 0.017 0.000 1.008 66 N CA -0.217 52.877 53.050 0.073 0.000 0.894 66 N CB 1.398 39.923 38.487 0.063 0.000 1.273 66 N HN 0.076 nan 8.380 nan 0.000 0.486 67 R N 1.859 122.313 120.500 -0.077 0.000 2.293 67 R HA -0.056 4.285 4.340 0.001 0.000 0.219 67 R C -0.188 176.161 176.300 0.081 0.000 1.091 67 R CA 1.203 57.231 56.100 -0.121 0.000 1.004 67 R CB 0.178 30.247 30.300 -0.385 0.000 0.865 67 R HN 0.563 nan 8.270 nan 0.000 0.469 68 D N -0.797 119.632 120.400 0.048 0.000 2.538 68 D HA 0.107 4.747 4.640 0.001 0.000 0.231 68 D C -1.110 175.199 176.300 0.016 0.000 1.229 68 D CA 0.044 54.070 54.000 0.042 0.000 0.828 68 D CB 1.072 41.866 40.800 -0.009 0.000 1.035 68 D HN -0.152 nan 8.370 nan 0.000 0.495 69 V N 0.766 120.706 119.914 0.042 0.000 2.638 69 V HA 0.170 4.290 4.120 0.001 0.000 0.306 69 V C -0.263 175.871 176.094 0.066 0.000 1.052 69 V CA -1.215 61.103 62.300 0.030 0.000 0.885 69 V CB 2.008 33.836 31.823 0.009 0.000 0.999 69 V HN 0.149 nan 8.190 nan 0.000 0.424 70 C N 5.477 124.814 119.300 0.062 0.000 2.423 70 C HA 0.277 4.737 4.460 0.001 0.000 0.378 70 C C 0.825 175.874 174.990 0.098 0.000 1.068 70 C CA -0.533 58.538 59.018 0.088 0.000 1.371 70 C CB -1.850 25.936 27.740 0.077 0.000 1.856 70 C HN 0.894 nan 8.230 nan 0.000 0.523 71 E N 3.562 123.831 120.200 0.117 0.000 2.344 71 E HA 0.094 4.445 4.350 0.001 0.000 0.270 71 E C -0.963 175.718 176.600 0.135 0.000 1.021 71 E CA 0.182 56.626 56.400 0.074 0.000 0.887 71 E CB 0.836 30.599 29.700 0.105 0.000 0.997 71 E HN 0.739 nan 8.360 nan 0.000 0.429 72 Y N 3.431 123.638 120.300 -0.154 0.000 2.335 72 Y HA 0.288 4.838 4.550 0.000 0.000 0.338 72 Y C -1.510 174.194 175.900 -0.327 0.000 0.977 72 Y CA -0.962 57.079 58.100 -0.099 0.000 1.114 72 Y CB 0.623 39.026 38.460 -0.096 0.000 1.182 72 Y HN 0.381 nan 8.280 nan 0.000 0.463 73 Y N 3.539 123.361 120.300 -0.796 0.000 2.487 73 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 73 Y C -0.367 174.926 175.900 -1.011 0.000 1.076 73 Y CA -0.958 56.731 58.100 -0.685 0.000 1.115 73 Y CB 1.662 39.908 38.460 -0.357 0.000 1.235 73 Y HN 0.576 nan 8.280 nan 0.000 0.468 74 D N 2.285 122.407 120.400 -0.464 0.000 2.484 74 D HA 0.082 4.722 4.640 0.001 0.000 0.223 74 D C -2.474 173.771 176.300 -0.091 0.000 1.350 74 D CA -1.071 52.714 54.000 -0.358 0.000 0.940 74 D CB 1.247 41.824 40.800 -0.372 0.000 1.525 74 D HN 0.245 nan 8.370 nan 0.000 0.504 75 P HA -0.012 nan 4.420 nan 0.000 0.230 75 P C 0.517 177.820 177.300 0.005 0.000 1.158 75 P CA 0.548 63.682 63.100 0.057 0.000 0.769 75 P CB 0.651 32.385 31.700 0.055 0.000 0.807 76 D N -1.489 118.919 120.400 0.013 0.000 2.305 76 D HA -0.060 4.580 4.640 0.001 0.000 0.206 76 D C 0.707 177.043 176.300 0.060 0.000 0.974 76 D CA 0.050 54.062 54.000 0.019 0.000 0.871 76 D CB -0.749 40.066 40.800 0.026 0.000 0.947 76 D HN 0.188 nan 8.370 nan 0.000 0.516 77 Y N 1.954 122.237 120.300 -0.028 0.000 2.895 77 Y HA -0.113 4.437 4.550 0.001 0.000 0.334 77 Y C 1.235 177.115 175.900 -0.033 0.000 1.261 77 Y CA 0.228 58.328 58.100 0.001 0.000 1.560 77 Y CB 0.096 38.551 38.460 -0.008 0.000 1.253 77 Y HN -0.012 nan 8.280 nan 0.000 0.582 78 L N 3.459 124.379 121.223 -0.505 0.000 4.232 78 L HA -0.398 3.942 4.340 0.001 0.000 0.415 78 L C 0.956 177.682 176.870 -0.241 0.000 1.168 78 L CA 0.867 55.443 54.840 -0.440 0.000 0.966 78 L CB -1.367 40.402 42.059 -0.485 0.000 2.052 78 L HN 0.829 nan 8.230 nan 0.000 0.887 79 N N -0.273 118.332 118.700 -0.158 0.000 2.398 79 N HA 0.010 4.750 4.740 0.001 0.000 0.188 79 N C 0.462 175.910 175.510 -0.103 0.000 1.122 79 N CA 0.810 53.790 53.050 -0.116 0.000 0.866 79 N CB 0.125 38.566 38.487 -0.077 0.000 0.970 79 N HN 0.584 nan 8.380 nan 0.000 0.462 80 T N -3.844 110.636 114.554 -0.123 0.000 2.901 80 T HA 0.402 4.752 4.350 0.001 0.000 0.293 80 T C 0.399 175.007 174.700 -0.152 0.000 1.084 80 T CA -0.754 61.288 62.100 -0.097 0.000 1.008 80 T CB 1.326 70.159 68.868 -0.057 0.000 1.170 80 T HN -0.238 nan 8.240 nan 0.000 0.509 81 N N 0.433 119.071 118.700 -0.102 0.000 2.244 81 N HA -0.017 4.723 4.740 0.001 0.000 0.183 81 N C 1.294 176.739 175.510 -0.108 0.000 1.016 81 N CA 1.147 54.119 53.050 -0.130 0.000 0.866 81 N CB -0.355 38.188 38.487 0.093 0.000 0.980 81 N HN 0.828 nan 8.380 nan 0.000 0.430 82 D N 0.085 120.457 120.400 -0.045 0.000 2.269 82 D HA -0.004 4.637 4.640 0.001 0.000 0.208 82 D C 1.466 177.737 176.300 -0.048 0.000 0.963 82 D CA 0.927 54.916 54.000 -0.018 0.000 0.864 82 D CB 0.256 41.059 40.800 0.006 0.000 0.936 82 D HN 0.152 nan 8.370 nan 0.000 0.505 83 K N -0.140 120.199 120.400 -0.101 0.000 2.076 83 K HA -0.006 4.314 4.320 0.001 0.000 0.204 83 K C 2.058 178.565 176.600 -0.155 0.000 1.051 83 K CA 0.666 56.879 56.287 -0.123 0.000 0.949 83 K CB 0.172 32.564 32.500 -0.180 0.000 0.726 83 K HN 0.027 nan 8.250 nan 0.000 0.443 84 K N 0.926 121.158 120.400 -0.279 0.000 2.032 84 K HA -0.165 4.155 4.320 0.001 0.000 0.209 84 K C 1.991 178.503 176.600 -0.147 0.000 1.048 84 K CA 1.366 57.429 56.287 -0.374 0.000 0.927 84 K CB -0.210 31.697 32.500 -0.989 0.000 0.712 84 K HN 0.207 nan 8.250 nan 0.000 0.441 85 N N 1.224 119.861 118.700 -0.104 0.000 2.120 85 N HA -0.152 4.588 4.740 0.001 0.000 0.188 85 N C 1.829 177.371 175.510 0.054 0.000 1.024 85 N CA 0.991 54.063 53.050 0.038 0.000 0.852 85 N CB 0.029 38.568 38.487 0.087 0.000 1.003 85 N HN 0.136 nan 8.380 nan 0.000 0.424 86 I N 0.176 120.774 120.570 0.048 0.000 2.361 86 I HA -0.237 3.933 4.170 0.001 0.000 0.251 86 I C 2.104 178.280 176.117 0.098 0.000 1.133 86 I CA 0.735 62.073 61.300 0.063 0.000 1.413 86 I CB -0.337 37.697 38.000 0.057 0.000 1.073 86 I HN 0.115 nan 8.210 nan 0.000 0.424 87 F N 1.390 121.324 119.950 -0.026 0.000 2.075 87 F HA -0.230 4.297 4.527 0.000 0.000 0.297 87 F C 2.298 178.129 175.800 0.053 0.000 1.113 87 F CA 1.656 59.672 58.000 0.027 0.000 1.218 87 F CB -0.289 38.700 39.000 -0.020 0.000 0.984 87 F HN -0.136 nan 8.300 nan 0.000 0.472 88 L N -0.051 121.279 121.223 0.178 0.000 1.990 88 L HA -0.304 4.037 4.340 0.001 0.000 0.213 88 L C 2.643 179.532 176.870 0.030 0.000 1.072 88 L CA 1.414 56.293 54.840 0.065 0.000 0.755 88 L CB -0.628 41.402 42.059 -0.048 0.000 0.889 88 L HN 0.221 nan 8.230 nan 0.000 0.432 89 Q N -0.954 118.865 119.800 0.032 0.000 2.124 89 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 89 Q C 2.125 178.129 176.000 0.007 0.000 0.977 89 Q CA 1.968 57.784 55.803 0.022 0.000 0.850 89 Q CB -0.841 27.915 28.738 0.029 0.000 0.901 89 Q HN 0.499 nan 8.270 nan 0.000 0.429 90 T N 1.157 115.700 114.554 -0.018 0.000 2.777 90 T HA -0.055 4.295 4.350 0.001 0.000 0.266 90 T C 1.815 176.501 174.700 -0.023 0.000 1.040 90 T CA 0.941 63.023 62.100 -0.029 0.000 1.141 90 T CB -0.019 68.812 68.868 -0.061 0.000 0.868 90 T HN 0.108 nan 8.240 nan 0.000 0.444 91 M N 0.794 120.341 119.600 -0.089 0.000 2.117 91 M HA 0.074 4.554 4.480 0.001 0.000 0.262 91 M C 2.294 178.661 176.300 0.111 0.000 1.065 91 M CA 1.238 56.535 55.300 -0.005 0.000 1.114 91 M CB -1.208 31.346 32.600 -0.077 0.000 1.361 91 M HN 0.272 nan 8.290 nan 0.000 0.408 92 I N -0.281 120.307 120.570 0.029 0.000 2.286 92 I HA -0.316 3.855 4.170 0.001 0.000 0.248 92 I C 2.543 178.705 176.117 0.075 0.000 1.115 92 I CA 1.217 62.522 61.300 0.007 0.000 1.392 92 I CB -0.417 37.548 38.000 -0.057 0.000 1.065 92 I HN 0.338 nan 8.210 nan 0.000 0.418 93 K N 1.283 121.728 120.400 0.076 0.000 2.103 93 K HA -0.103 4.218 4.320 0.001 0.000 0.204 93 K C 2.144 178.830 176.600 0.143 0.000 1.052 93 K CA 0.989 57.334 56.287 0.098 0.000 0.945 93 K CB 0.073 32.633 32.500 0.099 0.000 0.722 93 K HN 0.258 nan 8.250 nan 0.000 0.443 94 L N -0.103 121.213 121.223 0.156 0.000 2.056 94 L HA -0.134 4.207 4.340 0.001 0.000 0.207 94 L C 2.214 179.133 176.870 0.082 0.000 1.078 94 L CA 1.061 55.979 54.840 0.130 0.000 0.749 94 L CB -0.477 41.631 42.059 0.081 0.000 0.901 94 L HN 0.125 nan 8.230 nan 0.000 0.433 95 F N 0.746 120.676 119.950 -0.032 0.000 2.171 95 F HA -0.191 4.336 4.527 0.001 0.000 0.300 95 F C 2.537 178.326 175.800 -0.017 0.000 1.090 95 F CA 1.290 59.265 58.000 -0.041 0.000 1.293 95 F CB -0.481 38.490 39.000 -0.048 0.000 1.013 95 F HN 0.154 nan 8.300 nan 0.000 0.486 96 N N -0.029 118.772 118.700 0.169 0.000 2.188 96 N HA -0.173 4.568 4.740 0.001 0.000 0.184 96 N C 2.049 177.604 175.510 0.075 0.000 1.018 96 N CA 0.953 54.060 53.050 0.094 0.000 0.858 96 N CB -0.377 38.146 38.487 0.061 0.000 0.989 96 N HN 0.271 nan 8.380 nan 0.000 0.426 97 R N 1.203 121.748 120.500 0.075 0.000 2.073 97 R HA 0.013 4.353 4.340 0.001 0.000 0.234 97 R C 2.269 178.637 176.300 0.114 0.000 1.134 97 R CA 1.003 57.148 56.100 0.076 0.000 0.952 97 R CB -0.289 30.052 30.300 0.070 0.000 0.850 97 R HN 0.117 nan 8.270 nan 0.000 0.433 98 I N 1.585 122.164 120.570 0.014 0.000 2.163 98 I HA -0.322 3.848 4.170 0.001 0.000 0.243 98 I C 2.230 178.404 176.117 0.095 0.000 1.085 98 I CA 1.962 63.232 61.300 -0.050 0.000 1.347 98 I CB -0.367 37.486 38.000 -0.245 0.000 1.044 98 I HN 0.333 nan 8.210 nan 0.000 0.408 99 K N 0.996 121.439 120.400 0.071 0.000 2.459 99 K HA -0.007 4.314 4.320 0.001 0.000 0.193 99 K C 1.858 178.510 176.600 0.087 0.000 1.030 99 K CA 1.067 57.404 56.287 0.082 0.000 1.026 99 K CB -0.208 32.331 32.500 0.064 0.000 0.809 99 K HN 0.265 nan 8.250 nan 0.000 0.504 100 S N 0.275 116.037 115.700 0.103 0.000 2.493 100 S HA -0.085 4.385 4.470 0.001 0.000 0.243 100 S C 0.324 174.929 174.600 0.007 0.000 0.991 100 S CA 0.347 58.581 58.200 0.056 0.000 0.957 100 S CB -0.246 62.989 63.200 0.058 0.000 0.756 100 S HN 0.337 nan 8.310 nan 0.000 0.521 101 K N 0.504 120.923 120.400 0.032 0.000 2.422 101 K HA 0.389 4.709 4.320 0.001 0.000 0.251 101 K C -2.452 174.156 176.600 0.013 0.000 0.933 101 K CA -2.534 53.697 56.287 -0.094 0.000 0.798 101 K CB 1.990 34.190 32.500 -0.500 0.000 1.238 101 K HN -0.250 nan 8.250 nan 0.000 0.428 102 P HA -0.263 nan 4.420 nan 0.000 0.217 102 P C 1.228 178.580 177.300 0.086 0.000 1.162 102 P CA 1.078 64.194 63.100 0.025 0.000 0.901 102 P CB 0.217 31.914 31.700 -0.005 0.000 0.793 103 L N -0.551 120.735 121.223 0.105 0.000 2.012 103 L HA -0.071 4.269 4.340 0.001 0.000 0.210 103 L C 2.262 179.310 176.870 0.298 0.000 1.073 103 L CA 2.558 57.521 54.840 0.204 0.000 0.748 103 L CB -1.646 40.542 42.059 0.215 0.000 0.891 103 L HN -0.030 nan 8.230 nan 0.000 0.431 104 G N -1.524 107.477 108.800 0.336 0.000 2.421 104 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 104 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 104 G C 1.492 176.447 174.900 0.091 0.000 1.143 104 G CA 0.677 45.895 45.100 0.197 0.000 0.784 104 G HN 0.541 nan 8.290 nan 0.000 0.541 105 E N 0.518 120.785 120.200 0.112 0.000 2.077 105 E HA -0.117 4.233 4.350 0.001 0.000 0.193 105 E C 2.345 178.975 176.600 0.051 0.000 0.989 105 E CA 1.055 57.493 56.400 0.063 0.000 0.800 105 E CB -0.076 29.660 29.700 0.060 0.000 0.746 105 E HN 0.352 nan 8.360 nan 0.000 0.452 106 K N 0.153 120.613 120.400 0.101 0.000 2.097 106 K HA -0.165 4.156 4.320 0.001 0.000 0.206 106 K C 2.241 178.845 176.600 0.007 0.000 1.049 106 K CA 0.984 57.342 56.287 0.119 0.000 0.933 106 K CB -0.207 32.439 32.500 0.244 0.000 0.717 106 K HN 0.165 nan 8.250 nan 0.000 0.442 107 L N 1.615 122.794 121.223 -0.074 0.000 2.017 107 L HA -0.157 4.183 4.340 0.001 0.000 0.208 107 L C 1.906 178.601 176.870 -0.292 0.000 1.073 107 L CA 1.532 56.086 54.840 -0.478 0.000 0.745 107 L CB -0.418 41.399 42.059 -0.405 0.000 0.894 107 L HN 0.118 nan 8.230 nan 0.000 0.432 108 L N -0.703 120.431 121.223 -0.149 0.000 2.017 108 L HA -0.225 4.116 4.340 0.001 0.000 0.208 108 L C 2.559 179.403 176.870 -0.043 0.000 1.073 108 L CA 1.689 56.481 54.840 -0.079 0.000 0.745 108 L CB -0.571 41.477 42.059 -0.018 0.000 0.894 108 L HN 0.356 nan 8.230 nan 0.000 0.432 109 E N -0.557 119.625 120.200 -0.029 0.000 2.077 109 E HA -0.235 4.116 4.350 0.001 0.000 0.193 109 E C 2.296 178.888 176.600 -0.014 0.000 0.989 109 E CA 1.143 57.537 56.400 -0.011 0.000 0.800 109 E CB -0.070 29.634 29.700 0.006 0.000 0.746 109 E HN 0.360 nan 8.360 nan 0.000 0.452 110 M N 0.234 119.806 119.600 -0.046 0.000 2.117 110 M HA -0.134 4.346 4.480 0.001 0.000 0.262 110 M C 2.350 178.686 176.300 0.061 0.000 1.065 110 M CA 1.373 56.666 55.300 -0.013 0.000 1.114 110 M CB -0.654 31.829 32.600 -0.194 0.000 1.361 110 M HN 0.176 nan 8.290 nan 0.000 0.408 111 I N -0.307 120.247 120.570 -0.026 0.000 2.315 111 I HA -0.268 3.902 4.170 0.001 0.000 0.248 111 I C 2.305 178.438 176.117 0.026 0.000 1.117 111 I CA 0.991 62.300 61.300 0.016 0.000 1.404 111 I CB -0.235 37.742 38.000 -0.037 0.000 1.071 111 I HN 0.178 nan 8.210 nan 0.000 0.419 112 I N 0.811 121.387 120.570 0.009 0.000 2.252 112 I HA -0.275 3.895 4.170 0.001 0.000 0.245 112 I C 1.868 177.971 176.117 -0.023 0.000 1.102 112 I CA 1.322 62.623 61.300 0.002 0.000 1.385 112 I CB -0.354 37.644 38.000 -0.004 0.000 1.064 112 I HN 0.302 nan 8.210 nan 0.000 0.414 113 N N 0.700 119.382 118.700 -0.031 0.000 2.412 113 N HA 0.015 4.756 4.740 0.001 0.000 0.184 113 N C 1.282 176.709 175.510 -0.139 0.000 1.101 113 N CA 0.477 53.481 53.050 -0.077 0.000 0.881 113 N CB 0.240 38.692 38.487 -0.058 0.000 0.969 113 N HN 0.261 nan 8.380 nan 0.000 0.459 114 G N 2.101 110.825 108.800 -0.127 0.000 3.581 114 G HA2 0.248 4.208 3.960 0.001 0.000 0.255 114 G HA3 0.248 4.208 3.960 0.001 0.000 0.255 114 G C 0.593 175.334 174.900 -0.265 0.000 1.121 114 G CA -0.450 44.408 45.100 -0.404 0.000 1.739 114 G HN 0.265 nan 8.290 nan 0.000 0.646 115 I N -1.724 118.747 120.570 -0.165 0.000 2.710 115 I HA 0.295 4.466 4.170 0.001 0.000 0.286 115 I C -2.378 173.771 176.117 0.052 0.000 1.181 115 I CA -1.886 59.385 61.300 -0.049 0.000 1.430 115 I CB 0.410 38.356 38.000 -0.090 0.000 1.367 115 I HN -0.093 nan 8.210 nan 0.000 0.577 116 P HA -0.010 nan 4.420 nan 0.000 0.267 116 P C -0.919 176.511 177.300 0.217 0.000 1.200 116 P CA 0.171 63.360 63.100 0.150 0.000 0.772 116 P CB 0.230 32.014 31.700 0.139 0.000 0.855 117 Y N 2.786 123.101 120.300 0.026 0.000 2.550 117 Y HA 0.010 4.560 4.550 0.001 0.000 0.343 117 Y C 0.550 176.399 175.900 -0.085 0.000 1.245 117 Y CA 0.261 58.181 58.100 -0.300 0.000 1.462 117 Y CB 0.136 38.474 38.460 -0.202 0.000 1.340 117 Y HN 0.179 nan 8.280 nan 0.000 0.604 118 L N 6.742 127.552 121.223 -0.689 0.000 2.391 118 L HA 0.347 4.688 4.340 0.001 0.000 0.249 118 L C 0.628 177.440 176.870 -0.097 0.000 1.308 118 L CA 0.387 54.959 54.840 -0.447 0.000 1.209 118 L CB -1.510 40.027 42.059 -0.870 0.000 1.401 118 L HN 0.915 nan 8.230 nan 0.000 0.416 119 G N 1.040 109.901 108.800 0.102 0.000 2.362 119 G HA2 0.235 4.195 3.960 0.001 0.000 0.288 119 G HA3 0.235 4.195 3.960 0.001 0.000 0.288 119 G C -2.054 172.763 174.900 -0.138 0.000 1.305 119 G CA -0.247 44.910 45.100 0.095 0.000 0.910 119 G HN 0.400 nan 8.290 nan 0.000 0.518 120 D N -2.661 117.456 120.400 -0.472 0.000 2.895 120 D HA 0.362 5.002 4.640 0.001 0.000 0.320 120 D C 1.540 177.186 176.300 -1.090 0.000 1.249 120 D CA -0.079 53.181 54.000 -1.234 0.000 0.997 120 D CB -0.053 40.375 40.800 -0.620 0.000 1.430 120 D HN 0.735 nan 8.370 nan 0.000 0.558 121 R N -0.092 119.900 120.500 -0.847 0.000 2.159 121 R HA -0.036 4.304 4.340 0.001 0.000 0.237 121 R C 1.419 177.617 176.300 -0.169 0.000 1.131 121 R CA 1.065 57.015 56.100 -0.250 0.000 0.982 121 R CB -0.436 29.789 30.300 -0.126 0.000 0.868 121 R HN 0.267 nan 8.270 nan 0.000 0.453 122 R N 0.961 121.341 120.500 -0.200 0.000 2.240 122 R HA 0.139 4.480 4.340 0.001 0.000 0.203 122 R C 0.107 176.358 176.300 -0.081 0.000 1.011 122 R CA 0.248 56.274 56.100 -0.123 0.000 1.007 122 R CB 0.316 30.547 30.300 -0.115 0.000 0.911 122 R HN -0.008 nan 8.270 nan 0.000 0.468 123 V N 3.311 123.175 119.914 -0.083 0.000 2.530 123 V HA 0.140 4.261 4.120 0.001 0.000 0.282 123 V C -2.047 174.057 176.094 0.017 0.000 1.048 123 V CA -1.932 60.358 62.300 -0.016 0.000 0.997 123 V CB 1.023 32.861 31.823 0.025 0.000 0.987 123 V HN -0.028 nan 8.190 nan 0.000 0.477 124 P HA 0.085 nan 4.420 nan 0.000 0.265 124 P C 1.137 178.454 177.300 0.028 0.000 1.187 124 P CA 0.055 63.162 63.100 0.012 0.000 0.766 124 P CB 0.441 32.141 31.700 0.000 0.000 0.820 125 L N 2.078 123.312 121.223 0.017 0.000 2.197 125 L HA -0.230 4.111 4.340 0.001 0.000 0.215 125 L C 1.339 178.207 176.870 -0.003 0.000 1.095 125 L CA 1.784 56.633 54.840 0.015 0.000 0.764 125 L CB -0.688 41.366 42.059 -0.008 0.000 0.897 125 L HN 0.498 nan 8.230 nan 0.000 0.436 126 E N -0.760 119.426 120.200 -0.023 0.000 2.479 126 E HA 0.074 4.424 4.350 0.001 0.000 0.193 126 E C 0.004 176.541 176.600 -0.105 0.000 1.049 126 E CA 0.032 56.394 56.400 -0.063 0.000 0.870 126 E CB 0.339 30.011 29.700 -0.047 0.000 0.944 126 E HN 0.509 nan 8.360 nan 0.000 0.492 127 E N -0.107 120.057 120.200 -0.060 0.000 2.281 127 E HA 0.433 4.783 4.350 0.001 0.000 0.262 127 E C -0.776 175.840 176.600 0.027 0.000 0.933 127 E CA -0.744 55.626 56.400 -0.050 0.000 0.809 127 E CB 1.728 31.437 29.700 0.015 0.000 1.242 127 E HN -0.027 nan 8.360 nan 0.000 0.418 128 F N 1.399 121.345 119.950 -0.007 0.000 2.507 128 F HA 0.308 4.835 4.527 0.001 0.000 0.328 128 F C 0.036 175.800 175.800 -0.060 0.000 1.136 128 F CA -0.971 56.984 58.000 -0.075 0.000 0.930 128 F CB 1.690 40.596 39.000 -0.157 0.000 1.166 128 F HN 0.275 nan 8.300 nan 0.000 0.436 129 N N 2.021 120.807 118.700 0.144 0.000 2.491 129 N HA 0.132 4.872 4.740 0.001 0.000 0.274 129 N C 0.324 175.850 175.510 0.027 0.000 1.023 129 N CA -0.268 52.818 53.050 0.061 0.000 0.902 129 N CB 1.735 40.242 38.487 0.034 0.000 1.267 129 N HN 0.660 nan 8.380 nan 0.000 0.503 130 T N -0.352 114.222 114.554 0.032 0.000 3.081 130 T HA 0.064 4.415 4.350 0.001 0.000 0.250 130 T C 0.781 175.493 174.700 0.021 0.000 1.100 130 T CA 0.078 62.224 62.100 0.078 0.000 1.038 130 T CB -0.170 68.820 68.868 0.204 0.000 0.962 130 T HN 0.299 nan 8.240 nan 0.000 0.516 131 N N 2.466 121.151 118.700 -0.025 0.000 3.243 131 N HA 0.244 4.985 4.740 0.001 0.000 0.310 131 N C -0.381 175.071 175.510 -0.098 0.000 1.313 131 N CA -0.737 52.263 53.050 -0.083 0.000 1.204 131 N CB -0.830 37.604 38.487 -0.087 0.000 1.483 131 N HN 0.784 nan 8.380 nan 0.000 0.553 132 I N -3.673 116.851 120.570 -0.077 0.000 2.802 132 I HA 0.568 4.739 4.170 0.001 0.000 0.298 132 I C 0.727 176.809 176.117 -0.058 0.000 1.176 132 I CA -1.194 60.062 61.300 -0.073 0.000 1.025 132 I CB 1.602 39.570 38.000 -0.054 0.000 1.243 132 I HN -0.153 nan 8.210 nan 0.000 0.424 133 A N 3.361 126.151 122.820 -0.051 0.000 2.139 133 A HA -0.144 4.176 4.320 0.001 0.000 0.221 133 A C 1.955 179.537 177.584 -0.003 0.000 1.159 133 A CA 2.161 54.186 52.037 -0.020 0.000 0.662 133 A CB -0.861 18.154 19.000 0.026 0.000 0.796 133 A HN 0.987 nan 8.150 nan 0.000 0.463 134 S N -1.928 113.779 115.700 0.011 0.000 2.575 134 S HA 0.237 4.707 4.470 0.001 0.000 0.215 134 S C 1.108 175.750 174.600 0.071 0.000 0.966 134 S CA 0.653 58.878 58.200 0.041 0.000 0.911 134 S CB 0.280 63.513 63.200 0.055 0.000 0.780 134 S HN 0.211 nan 8.310 nan 0.000 0.514 135 V N 0.451 120.409 119.914 0.074 0.000 2.996 135 V HA 0.241 4.362 4.120 0.001 0.000 0.235 135 V C 0.675 176.897 176.094 0.214 0.000 1.205 135 V CA 0.731 63.120 62.300 0.150 0.000 1.225 135 V CB 0.062 31.968 31.823 0.138 0.000 0.995 135 V HN 0.420 nan 8.190 nan 0.000 0.484 136 T N 1.053 115.661 114.554 0.090 0.000 2.855 136 T HA 0.680 5.030 4.350 0.001 0.000 0.281 136 T C -1.082 173.585 174.700 -0.054 0.000 1.007 136 T CA -0.172 61.920 62.100 -0.013 0.000 1.009 136 T CB 2.505 71.311 68.868 -0.103 0.000 0.983 136 T HN 0.063 nan 8.240 nan 0.000 0.455 137 V N 3.423 123.286 119.914 -0.086 0.000 2.709 137 V HA 0.521 4.642 4.120 0.001 0.000 0.308 137 V C -1.208 174.826 176.094 -0.100 0.000 1.062 137 V CA -0.941 61.306 62.300 -0.088 0.000 0.901 137 V CB 2.053 33.799 31.823 -0.129 0.000 1.003 137 V HN 0.816 nan 8.190 nan 0.000 0.425 138 N N 4.635 123.319 118.700 -0.027 0.000 2.524 138 N HA 0.463 5.204 4.740 0.001 0.000 0.283 138 N C -0.833 174.690 175.510 0.022 0.000 1.142 138 N CA -0.348 52.712 53.050 0.017 0.000 0.984 138 N CB 1.446 40.022 38.487 0.148 0.000 1.155 138 N HN 0.788 nan 8.380 nan 0.000 0.467 139 K N -0.082 120.331 120.400 0.021 0.000 2.324 139 K HA 0.475 4.796 4.320 0.001 0.000 0.253 139 K C -1.054 175.572 176.600 0.043 0.000 0.932 139 K CA -0.904 55.392 56.287 0.015 0.000 0.799 139 K CB 1.578 34.013 32.500 -0.108 0.000 1.154 139 K HN 0.172 nan 8.250 nan 0.000 0.425 140 L N 4.384 125.595 121.223 -0.020 0.000 2.283 140 L HA 0.195 4.535 4.340 0.001 0.000 0.287 140 L C 0.178 176.936 176.870 -0.186 0.000 1.073 140 L CA -0.206 54.480 54.840 -0.258 0.000 0.822 140 L CB 0.444 41.983 42.059 -0.868 0.000 1.186 140 L HN 0.858 nan 8.230 nan 0.000 0.436 141 I N 1.994 122.487 120.570 -0.128 0.000 2.429 141 I HA 0.006 4.176 4.170 0.001 0.000 0.247 141 I C 1.266 177.320 176.117 -0.105 0.000 1.099 141 I CA 0.741 61.983 61.300 -0.097 0.000 1.422 141 I CB -0.491 37.471 38.000 -0.064 0.000 1.112 141 I HN 0.758 nan 8.210 nan 0.000 0.430 142 S N 2.232 117.866 115.700 -0.111 0.000 2.558 142 S HA -0.097 4.373 4.470 0.001 0.000 0.297 142 S C 0.419 174.954 174.600 -0.108 0.000 1.283 142 S CA -0.447 57.693 58.200 -0.101 0.000 1.044 142 S CB -0.456 62.682 63.200 -0.104 0.000 0.789 142 S HN 0.301 nan 8.310 nan 0.000 0.500 143 N N 2.337 120.988 118.700 -0.082 0.000 2.207 143 N HA 0.069 4.809 4.740 0.001 0.000 0.220 143 N C -2.620 172.836 175.510 -0.090 0.000 1.303 143 N CA -0.576 52.428 53.050 -0.075 0.000 0.875 143 N CB -0.759 37.694 38.487 -0.056 0.000 1.094 143 N HN 0.445 nan 8.380 nan 0.000 0.435 144 P HA 0.064 nan 4.420 nan 0.000 0.261 144 P C 0.318 177.573 177.300 -0.075 0.000 1.203 144 P CA 0.798 63.849 63.100 -0.082 0.000 0.767 144 P CB 0.063 31.724 31.700 -0.064 0.000 0.785 145 G N 2.618 111.365 108.800 -0.087 0.000 2.325 145 G HA2 -0.099 3.862 3.960 0.001 0.000 0.248 145 G HA3 -0.099 3.862 3.960 0.001 0.000 0.248 145 G C -0.553 174.305 174.900 -0.071 0.000 1.108 145 G CA -0.155 44.903 45.100 -0.071 0.000 0.881 145 G HN 0.695 nan 8.290 nan 0.000 0.494 146 E N -2.441 117.702 120.200 -0.096 0.000 3.397 146 E HA 0.250 4.600 4.350 0.001 0.000 0.380 146 E C 0.091 176.621 176.600 -0.117 0.000 0.989 146 E CA -0.510 55.840 56.400 -0.084 0.000 0.783 146 E CB 0.231 29.892 29.700 -0.065 0.000 1.334 146 E HN 1.151 nan 8.360 nan 0.000 0.457 147 V N 0.839 120.693 119.914 -0.099 0.000 3.413 147 V HA 0.002 4.122 4.120 0.001 0.000 0.344 147 V C 1.421 177.483 176.094 -0.054 0.000 1.225 147 V CA 1.086 63.322 62.300 -0.107 0.000 1.324 147 V CB -1.243 30.571 31.823 -0.015 0.000 1.161 147 V HN 0.717 nan 8.190 nan 0.000 0.432 148 E N 1.458 121.623 120.200 -0.057 0.000 2.051 148 E HA -0.128 4.223 4.350 0.001 0.000 0.192 148 E C 1.068 177.651 176.600 -0.029 0.000 0.991 148 E CA 0.877 57.257 56.400 -0.034 0.000 0.799 148 E CB -0.122 29.556 29.700 -0.036 0.000 0.748 148 E HN 0.677 nan 8.360 nan 0.000 0.449 149 R N 1.263 121.733 120.500 -0.049 0.000 2.387 149 R HA 0.395 4.735 4.340 0.001 0.000 0.314 149 R C -0.844 175.428 176.300 -0.046 0.000 0.958 149 R CA -0.697 55.379 56.100 -0.040 0.000 0.846 149 R CB 1.581 31.855 30.300 -0.044 0.000 1.147 149 R HN 0.153 nan 8.270 nan 0.000 0.447 150 K N 1.744 122.136 120.400 -0.012 0.000 2.501 150 K HA 0.449 4.769 4.320 0.001 0.000 0.252 150 K C -1.415 175.187 176.600 0.002 0.000 0.934 150 K CA -1.091 55.201 56.287 0.008 0.000 0.797 150 K CB 2.730 35.281 32.500 0.085 0.000 1.270 150 K HN 0.315 nan 8.250 nan 0.000 0.431 151 K N 1.383 121.774 120.400 -0.015 0.000 2.267 151 K HA 0.510 4.830 4.320 0.001 0.000 0.246 151 K C -0.498 176.063 176.600 -0.065 0.000 0.954 151 K CA -0.813 55.449 56.287 -0.042 0.000 0.824 151 K CB 1.980 34.450 32.500 -0.048 0.000 1.167 151 K HN 0.834 nan 8.250 nan 0.000 0.431 152 G N 2.517 111.250 108.800 -0.112 0.000 2.451 152 G HA2 0.618 4.578 3.960 0.001 0.000 0.303 152 G HA3 0.618 4.578 3.960 0.001 0.000 0.303 152 G C -0.594 174.156 174.900 -0.250 0.000 1.166 152 G CA -0.819 44.177 45.100 -0.174 0.000 0.884 152 G HN 0.725 nan 8.290 nan 0.000 0.514 153 I N -2.503 117.896 120.570 -0.285 0.000 3.006 153 I HA 0.679 4.849 4.170 0.001 0.000 0.306 153 I C -1.442 174.499 176.117 -0.294 0.000 1.250 153 I CA -1.426 59.699 61.300 -0.291 0.000 0.996 153 I CB 2.328 40.275 38.000 -0.087 0.000 1.261 153 I HN 0.345 nan 8.210 nan 0.000 0.442 154 F N 2.583 122.574 119.950 0.068 0.000 2.397 154 F HA 0.852 5.379 4.527 0.001 0.000 0.331 154 F C 0.649 176.526 175.800 0.128 0.000 1.090 154 F CA -0.477 57.568 58.000 0.074 0.000 1.065 154 F CB 1.900 40.951 39.000 0.084 0.000 1.184 154 F HN 0.770 nan 8.300 nan 0.000 0.499 155 A N 2.159 125.170 122.820 0.318 0.000 2.606 155 A HA 0.569 4.889 4.320 0.001 0.000 0.293 155 A C -0.654 177.062 177.584 0.220 0.000 1.082 155 A CA -0.756 51.460 52.037 0.298 0.000 0.685 155 A CB 1.441 20.609 19.000 0.280 0.000 1.284 155 A HN 0.669 nan 8.150 nan 0.000 0.408 156 N N -0.837 117.985 118.700 0.205 0.000 2.564 156 N HA 0.282 5.022 4.740 0.001 0.000 0.202 156 N C -0.592 175.010 175.510 0.153 0.000 1.052 156 N CA 0.596 53.734 53.050 0.148 0.000 0.872 156 N CB 0.373 38.924 38.487 0.107 0.000 1.303 156 N HN 0.528 nan 8.380 nan 0.000 0.440 157 L N 0.923 122.257 121.223 0.184 0.000 2.438 157 L HA 0.567 4.908 4.340 0.001 0.000 0.270 157 L C -1.749 175.256 176.870 0.225 0.000 0.972 157 L CA -0.477 54.473 54.840 0.183 0.000 0.831 157 L CB 1.634 43.790 42.059 0.162 0.000 1.273 157 L HN -0.038 nan 8.230 nan 0.000 0.405 158 I N 6.397 127.081 120.570 0.191 0.000 2.382 158 I HA 0.426 4.596 4.170 0.001 0.000 0.285 158 I C -0.605 175.600 176.117 0.146 0.000 1.007 158 I CA -0.390 60.990 61.300 0.133 0.000 1.142 158 I CB 1.484 39.500 38.000 0.027 0.000 1.289 158 I HN 0.483 nan 8.210 nan 0.000 0.453 159 I N 6.214 126.864 120.570 0.133 0.000 2.321 159 I HA 0.370 4.540 4.170 0.001 0.000 0.291 159 I C -0.373 175.878 176.117 0.224 0.000 0.998 159 I CA -0.256 61.199 61.300 0.257 0.000 1.227 159 I CB 0.810 38.985 38.000 0.291 0.000 1.368 159 I HN 0.345 nan 8.210 nan 0.000 0.466 160 F N 2.984 123.161 119.950 0.378 0.000 2.461 160 F HA 0.657 5.184 4.527 0.001 0.000 0.337 160 F C 1.246 177.276 175.800 0.383 0.000 1.079 160 F CA -0.295 57.923 58.000 0.363 0.000 1.032 160 F CB 0.610 39.872 39.000 0.437 0.000 1.327 160 F HN 0.381 nan 8.300 nan 0.000 0.491 161 G N -0.121 108.906 108.800 0.379 0.000 2.563 161 G HA2 0.457 4.417 3.960 0.001 0.000 0.283 161 G HA3 0.457 4.417 3.960 0.001 0.000 0.283 161 G C -2.684 172.419 174.900 0.339 0.000 1.309 161 G CA -1.297 43.881 45.100 0.131 0.000 1.022 161 G HN 0.332 nan 8.290 nan 0.000 0.501 162 P HA 0.209 nan 4.420 nan 0.000 0.274 162 P C 0.458 177.822 177.300 0.106 0.000 1.246 162 P CA 0.031 63.210 63.100 0.131 0.000 0.795 162 P CB 1.153 32.848 31.700 -0.008 0.000 1.006 163 G N 0.387 109.119 108.800 -0.113 0.000 2.630 163 G HA2 0.269 4.229 3.960 0.001 0.000 0.223 163 G HA3 0.269 4.229 3.960 0.001 0.000 0.223 163 G C -1.705 172.814 174.900 -0.635 0.000 1.434 163 G CA -1.007 43.878 45.100 -0.359 0.000 1.057 163 G HN 0.231 nan 8.290 nan 0.000 0.570 164 P HA -0.064 nan 4.420 nan 0.000 0.216 164 P C 0.509 177.337 177.300 -0.787 0.000 1.157 164 P CA 0.781 63.194 63.100 -1.145 0.000 0.880 164 P CB 0.047 31.213 31.700 -0.890 0.000 0.791 165 V N 1.087 120.530 119.914 -0.785 0.000 2.368 165 V HA 0.055 4.175 4.120 0.001 0.000 0.266 165 V C 1.746 177.556 176.094 -0.474 0.000 1.045 165 V CA 0.018 61.872 62.300 -0.742 0.000 0.899 165 V CB 0.524 32.032 31.823 -0.525 0.000 1.006 165 V HN 0.012 nan 8.190 nan 0.000 0.470 166 L N 3.925 124.885 121.223 -0.440 0.000 2.046 166 L HA -0.117 4.224 4.340 0.001 0.000 0.208 166 L C 2.070 178.807 176.870 -0.223 0.000 1.077 166 L CA 1.419 56.050 54.840 -0.349 0.000 0.747 166 L CB -0.423 41.329 42.059 -0.513 0.000 0.896 166 L HN 0.893 nan 8.230 nan 0.000 0.432 167 N N 0.130 118.738 118.700 -0.154 0.000 2.362 167 N HA -0.095 4.645 4.740 0.001 0.000 0.204 167 N C 0.187 175.635 175.510 -0.104 0.000 1.166 167 N CA 0.215 53.211 53.050 -0.091 0.000 0.831 167 N CB 0.044 38.520 38.487 -0.017 0.000 1.008 167 N HN 0.385 nan 8.380 nan 0.000 0.472 168 E N 1.033 121.145 120.200 -0.147 0.000 2.490 168 E HA 0.177 4.528 4.350 0.001 0.000 0.232 168 E C -0.766 175.773 176.600 -0.102 0.000 1.091 168 E CA -0.554 55.770 56.400 -0.127 0.000 1.050 168 E CB 0.057 29.651 29.700 -0.176 0.000 1.342 168 E HN 0.221 nan 8.360 nan 0.000 0.454 169 N N 2.449 121.125 118.700 -0.040 0.000 2.492 169 N HA 0.039 4.780 4.740 0.001 0.000 0.262 169 N C -0.296 175.247 175.510 0.056 0.000 1.202 169 N CA 0.623 53.704 53.050 0.051 0.000 0.926 169 N CB 1.092 39.677 38.487 0.163 0.000 1.078 169 N HN 0.464 nan 8.380 nan 0.000 0.454 170 E N 0.280 120.510 120.200 0.050 0.000 2.343 170 E HA 0.269 4.619 4.350 0.001 0.000 0.278 170 E C -1.398 175.223 176.600 0.035 0.000 0.910 170 E CA -0.544 55.864 56.400 0.013 0.000 0.757 170 E CB 1.610 31.265 29.700 -0.074 0.000 1.218 170 E HN 0.311 nan 8.360 nan 0.000 0.435 171 T N 3.467 118.039 114.554 0.030 0.000 2.767 171 T HA 0.521 4.871 4.350 0.001 0.000 0.284 171 T C -0.553 174.173 174.700 0.043 0.000 0.973 171 T CA -0.358 61.781 62.100 0.064 0.000 0.996 171 T CB 0.262 69.186 68.868 0.093 0.000 0.927 171 T HN 0.246 nan 8.240 nan 0.000 0.456 172 I N 3.837 124.468 120.570 0.102 0.000 2.509 172 I HA 0.399 4.569 4.170 0.001 0.000 0.293 172 I C -0.213 176.035 176.117 0.219 0.000 1.020 172 I CA -0.883 60.520 61.300 0.172 0.000 1.088 172 I CB 1.960 40.126 38.000 0.275 0.000 1.267 172 I HN 0.593 nan 8.210 nan 0.000 0.430 173 D N 5.242 125.796 120.400 0.256 0.000 2.440 173 D HA 0.574 5.214 4.640 0.001 0.000 0.258 173 D C -0.423 176.151 176.300 0.457 0.000 1.092 173 D CA -0.498 53.686 54.000 0.307 0.000 1.016 173 D CB 1.095 42.069 40.800 0.290 0.000 1.141 173 D HN 0.276 nan 8.370 nan 0.000 0.552 174 I N 0.058 120.854 120.570 0.376 0.000 2.321 174 I HA 0.489 4.660 4.170 0.001 0.000 0.291 174 I C 0.574 176.784 176.117 0.155 0.000 0.998 174 I CA -0.615 60.874 61.300 0.316 0.000 1.227 174 I CB 1.466 39.557 38.000 0.152 0.000 1.368 174 I HN 0.450 nan 8.210 nan 0.000 0.466 175 G N 7.192 115.933 108.800 -0.099 0.000 2.415 175 G HA2 0.789 4.750 3.960 0.001 0.000 0.327 175 G HA3 0.789 4.750 3.960 0.001 0.000 0.327 175 G C -0.885 173.817 174.900 -0.330 0.000 1.182 175 G CA -0.412 44.238 45.100 -0.751 0.000 0.924 175 G HN 0.491 nan 8.290 nan 0.000 0.470 176 I N 0.858 121.260 120.570 -0.279 0.000 2.534 176 I HA 0.252 4.423 4.170 0.001 0.000 0.288 176 I C 0.060 176.118 176.117 -0.098 0.000 1.077 176 I CA -0.515 60.706 61.300 -0.131 0.000 1.051 176 I CB 2.256 40.210 38.000 -0.077 0.000 1.234 176 I HN 0.666 nan 8.210 nan 0.000 0.425 177 Q N 4.412 124.172 119.800 -0.066 0.000 2.451 177 Q HA -0.267 4.073 4.340 0.001 0.000 0.305 177 Q C -0.044 175.969 176.000 0.020 0.000 1.345 177 Q CA 0.812 56.607 55.803 -0.013 0.000 0.854 177 Q CB -1.284 27.461 28.738 0.012 0.000 1.162 177 Q HN 0.896 nan 8.270 nan 0.000 0.440 178 N N -1.358 117.277 118.700 -0.108 0.000 2.741 178 N HA -0.218 4.523 4.740 0.001 0.000 0.251 178 N C -0.704 174.585 175.510 -0.367 0.000 1.112 178 N CA 1.233 54.167 53.050 -0.193 0.000 0.750 178 N CB -0.561 37.854 38.487 -0.120 0.000 1.119 178 N HN 0.547 nan 8.380 nan 0.000 0.561 179 H N -0.897 118.008 119.070 -0.275 0.000 2.821 179 H HA 0.459 5.016 4.556 0.001 0.000 0.373 179 H C -0.927 174.183 175.328 -0.364 0.000 1.165 179 H CA -0.457 55.500 56.048 -0.152 0.000 1.154 179 H CB 0.970 30.707 29.762 -0.041 0.000 1.765 179 H HN -0.086 nan 8.280 nan 0.000 0.549 180 F N 0.381 120.438 119.950 0.179 0.000 2.445 180 F HA 0.313 4.840 4.527 0.001 0.000 0.348 180 F C 1.164 177.082 175.800 0.197 0.000 1.125 180 F CA -0.583 57.511 58.000 0.156 0.000 0.983 180 F CB 1.592 40.669 39.000 0.129 0.000 1.198 180 F HN 0.687 nan 8.300 nan 0.000 0.436 181 A N 1.591 124.582 122.820 0.285 0.000 1.978 181 A HA -0.177 4.144 4.320 0.001 0.000 0.220 181 A C 2.171 180.005 177.584 0.418 0.000 1.170 181 A CA 2.042 54.267 52.037 0.315 0.000 0.636 181 A CB -0.775 18.304 19.000 0.131 0.000 0.810 181 A HN 0.707 nan 8.150 nan 0.000 0.448 182 S N -1.019 114.896 115.700 0.358 0.000 2.603 182 S HA 0.029 4.500 4.470 0.001 0.000 0.229 182 S C 1.236 176.011 174.600 0.292 0.000 0.972 182 S CA 0.665 59.053 58.200 0.314 0.000 0.935 182 S CB -0.211 63.155 63.200 0.276 0.000 0.769 182 S HN 0.645 nan 8.310 nan 0.000 0.536 183 R N 0.243 120.934 120.500 0.318 0.000 2.549 183 R HA 0.287 4.627 4.340 0.001 0.000 0.344 183 R C 0.042 176.499 176.300 0.260 0.000 0.979 183 R CA 0.048 56.298 56.100 0.250 0.000 1.140 183 R CB 0.420 30.844 30.300 0.206 0.000 1.377 183 R HN 0.497 nan 8.270 nan 0.000 0.541 184 E N -0.047 120.342 120.200 0.315 0.000 2.876 184 E HA 0.210 4.561 4.350 0.001 0.000 0.208 184 E C 0.530 177.144 176.600 0.023 0.000 0.981 184 E CA 0.191 56.746 56.400 0.259 0.000 1.174 184 E CB 1.566 31.526 29.700 0.433 0.000 1.047 184 E HN 0.356 nan 8.360 nan 0.000 0.477 185 G N 0.970 109.822 108.800 0.087 0.000 2.258 185 G HA2 -0.355 3.605 3.960 0.001 0.000 0.233 185 G HA3 -0.355 3.605 3.960 0.001 0.000 0.233 185 G C 0.729 175.513 174.900 -0.194 0.000 1.006 185 G CA 0.264 45.325 45.100 -0.064 0.000 0.620 185 G HN 0.285 nan 8.290 nan 0.000 0.511 186 F N 1.348 121.331 119.950 0.054 0.000 2.149 186 F HA 0.419 4.947 4.527 0.000 0.000 0.294 186 F C 2.081 177.972 175.800 0.151 0.000 1.095 186 F CA 1.837 59.868 58.000 0.052 0.000 1.276 186 F CB -0.546 38.478 39.000 0.040 0.000 1.023 186 F HN 1.183 nan 8.300 nan 0.000 0.480 187 G N -0.619 108.402 108.800 0.369 0.000 2.712 187 G HA2 0.362 4.322 3.960 0.001 0.000 0.683 187 G HA3 0.362 4.322 3.960 0.001 0.000 0.683 187 G C -0.459 174.588 174.900 0.245 0.000 1.320 187 G CA -0.708 44.549 45.100 0.261 0.000 0.847 187 G HN 0.960 nan 8.290 nan 0.000 0.553 188 G N -1.409 107.507 108.800 0.193 0.000 2.519 188 G HA2 0.629 4.589 3.960 0.001 0.000 0.292 188 G HA3 0.629 4.589 3.960 0.001 0.000 0.292 188 G C -0.322 174.663 174.900 0.141 0.000 1.507 188 G CA -0.335 44.863 45.100 0.164 0.000 0.806 188 G HN 1.259 nan 8.290 nan 0.000 0.523 189 I N 1.911 122.551 120.570 0.115 0.000 2.906 189 I HA -0.052 4.118 4.170 0.001 0.000 0.301 189 I C 0.519 176.695 176.117 0.099 0.000 1.221 189 I CA 0.548 61.908 61.300 0.100 0.000 1.435 189 I CB 0.307 38.342 38.000 0.058 0.000 1.345 189 I HN 0.181 nan 8.210 nan 0.000 0.558 190 M N 6.693 126.364 119.600 0.118 0.000 2.423 190 M HA 0.434 4.915 4.480 0.001 0.000 0.335 190 M C -0.395 175.988 176.300 0.139 0.000 1.177 190 M CA -0.399 54.979 55.300 0.130 0.000 1.038 190 M CB 1.633 34.316 32.600 0.137 0.000 1.641 190 M HN 0.520 nan 8.290 nan 0.000 0.455 191 Q N 1.799 121.693 119.800 0.156 0.000 2.413 191 Q HA 0.799 5.139 4.340 0.001 0.000 0.276 191 Q C -1.143 174.993 176.000 0.227 0.000 1.099 191 Q CA -0.654 55.289 55.803 0.234 0.000 0.814 191 Q CB 3.875 32.763 28.738 0.250 0.000 1.379 191 Q HN 0.692 nan 8.270 nan 0.000 0.436 192 M N 1.616 121.400 119.600 0.308 0.000 2.470 192 M HA 0.431 4.911 4.480 0.001 0.000 0.285 192 M C -2.088 174.401 176.300 0.315 0.000 1.213 192 M CA -0.698 54.747 55.300 0.241 0.000 0.901 192 M CB 2.370 35.114 32.600 0.240 0.000 1.718 192 M HN 0.589 nan 8.290 nan 0.000 0.469 193 K N 2.896 123.399 120.400 0.171 0.000 2.358 193 K HA 0.654 4.975 4.320 0.001 0.000 0.260 193 K C -1.755 175.047 176.600 0.337 0.000 0.956 193 K CA -0.560 55.861 56.287 0.224 0.000 0.834 193 K CB 2.020 34.475 32.500 -0.075 0.000 1.102 193 K HN 0.509 nan 8.250 nan 0.000 0.431 194 F N 2.193 122.321 119.950 0.296 0.000 2.588 194 F HA 0.562 5.090 4.527 0.000 0.000 0.310 194 F C -1.607 174.436 175.800 0.404 0.000 1.082 194 F CA -0.951 57.221 58.000 0.285 0.000 0.929 194 F CB 1.993 41.159 39.000 0.277 0.000 1.254 194 F HN 0.792 nan 8.300 nan 0.000 0.455 195 C N 8.515 127.476 119.300 -0.565 0.000 2.442 195 C HA 0.511 4.971 4.460 0.001 0.000 0.335 195 C C -1.788 172.823 174.990 -0.632 0.000 1.134 195 C CA -1.497 57.389 59.018 -0.220 0.000 1.344 195 C CB 1.156 28.806 27.740 -0.150 0.000 1.956 195 C HN 0.737 nan 8.230 nan 0.000 0.438 196 P HA 0.007 nan 4.420 nan 0.000 0.227 196 P C 0.796 178.057 177.300 -0.065 0.000 1.161 196 P CA 1.345 64.375 63.100 -0.116 0.000 0.788 196 P CB 0.619 32.395 31.700 0.128 0.000 0.822 197 E N -0.664 119.537 120.200 0.003 0.000 2.112 197 E HA -0.048 4.303 4.350 0.001 0.000 0.190 197 E C 0.113 176.494 176.600 -0.365 0.000 0.979 197 E CA 0.891 57.208 56.400 -0.137 0.000 0.814 197 E CB -0.573 29.071 29.700 -0.093 0.000 0.762 197 E HN 0.356 nan 8.360 nan 0.000 0.460 198 Y N 0.809 121.021 120.300 -0.146 0.000 2.700 198 Y HA 0.264 4.814 4.550 0.000 0.000 0.333 198 Y C 0.031 175.844 175.900 -0.146 0.000 1.036 198 Y CA -1.205 56.796 58.100 -0.165 0.000 1.287 198 Y CB 0.385 38.736 38.460 -0.183 0.000 1.132 198 Y HN -0.204 nan 8.280 nan 0.000 0.510 199 V N -0.070 119.815 119.914 -0.048 0.000 2.834 199 V HA 0.713 4.833 4.120 0.001 0.000 0.313 199 V C 0.311 176.418 176.094 0.021 0.000 1.060 199 V CA -1.121 61.179 62.300 -0.001 0.000 0.989 199 V CB 1.516 33.369 31.823 0.051 0.000 1.041 199 V HN 0.638 nan 8.190 nan 0.000 0.459 200 S N 2.336 118.071 115.700 0.059 0.000 2.584 200 S HA 0.596 5.067 4.470 0.001 0.000 0.270 200 S C -0.174 174.501 174.600 0.124 0.000 1.346 200 S CA -0.488 57.758 58.200 0.078 0.000 1.018 200 S CB 1.109 64.360 63.200 0.085 0.000 0.899 200 S HN 1.117 nan 8.310 nan 0.000 0.542 201 V N 2.754 122.725 119.914 0.095 0.000 2.769 201 V HA 0.842 4.962 4.120 0.001 0.000 0.312 201 V C -0.553 175.608 176.094 0.111 0.000 1.061 201 V CA -0.790 61.524 62.300 0.024 0.000 0.931 201 V CB 1.151 32.937 31.823 -0.061 0.000 1.010 201 V HN 0.986 nan 8.190 nan 0.000 0.433 202 F N 1.520 121.491 119.950 0.034 0.000 2.686 202 F HA 0.867 5.394 4.527 -0.000 0.000 0.311 202 F C -1.140 174.712 175.800 0.087 0.000 1.128 202 F CA -1.222 56.799 58.000 0.036 0.000 0.946 202 F CB 1.756 40.761 39.000 0.009 0.000 1.336 202 F HN 0.533 nan 8.300 nan 0.000 0.457 203 N N -1.049 117.787 118.700 0.227 0.000 2.277 203 N HA 0.478 5.218 4.740 0.001 0.000 0.286 203 N C -1.419 174.222 175.510 0.219 0.000 1.140 203 N CA -0.554 52.599 53.050 0.173 0.000 0.799 203 N CB 1.082 39.598 38.487 0.048 0.000 1.596 203 N HN 1.049 nan 8.380 nan 0.000 0.473 204 N N 0.238 119.045 118.700 0.177 0.000 2.421 204 N HA 0.434 5.175 4.740 0.001 0.000 0.260 204 N C 1.652 177.193 175.510 0.052 0.000 1.173 204 N CA -0.113 53.009 53.050 0.120 0.000 0.960 204 N CB -0.526 38.012 38.487 0.085 0.000 1.273 204 N HN 0.814 nan 8.380 nan 0.000 0.497 205 V N 0.858 120.813 119.914 0.069 0.000 2.250 205 V HA -0.229 3.891 4.120 0.001 0.000 0.250 205 V C 2.519 178.601 176.094 -0.019 0.000 1.060 205 V CA 3.226 65.519 62.300 -0.011 0.000 1.030 205 V CB -1.432 30.458 31.823 0.112 0.000 0.643 205 V HN 0.967 nan 8.190 nan 0.000 0.445 206 Q N -0.260 119.571 119.800 0.053 0.000 2.283 206 Q HA 0.509 4.849 4.340 0.001 0.000 0.223 206 Q C 0.750 176.781 176.000 0.052 0.000 0.918 206 Q CA 2.100 57.937 55.803 0.057 0.000 0.952 206 Q CB -1.249 27.538 28.738 0.083 0.000 1.030 206 Q HN 1.480 nan 8.270 nan 0.000 0.452 207 E N -1.858 118.359 120.200 0.028 0.000 1.980 207 E HA 0.762 5.112 4.350 0.001 0.000 0.139 207 E C -0.746 175.872 176.600 0.029 0.000 1.408 207 E CA 0.174 56.604 56.400 0.050 0.000 0.911 207 E CB -0.077 29.669 29.700 0.077 0.000 2.060 207 E HN 1.483 nan 8.360 nan 0.000 0.556 208 N N -1.349 117.393 118.700 0.071 0.000 2.827 208 N HA 0.644 5.385 4.740 0.001 0.000 0.248 208 N C -0.540 175.044 175.510 0.123 0.000 1.074 208 N CA 0.249 53.344 53.050 0.076 0.000 1.042 208 N CB 1.051 39.604 38.487 0.109 0.000 1.684 208 N HN 1.319 nan 8.380 nan 0.000 0.542 209 K N 0.281 120.740 120.400 0.098 0.000 2.294 209 K HA 0.631 4.951 4.320 0.001 0.000 0.288 209 K C 1.471 178.078 176.600 0.012 0.000 1.072 209 K CA 0.456 56.763 56.287 0.033 0.000 0.960 209 K CB -0.641 31.768 32.500 -0.151 0.000 1.043 209 K HN 2.531 nan 8.250 nan 0.000 0.455 210 G N 1.044 109.875 108.800 0.053 0.000 2.305 210 G HA2 0.125 4.085 3.960 0.001 0.000 0.287 210 G HA3 0.125 4.085 3.960 0.001 0.000 0.287 210 G C 0.873 175.811 174.900 0.063 0.000 1.036 210 G CA 0.825 45.953 45.100 0.047 0.000 0.887 210 G HN 2.478 nan 8.290 nan 0.000 0.505 211 A N -2.827 120.044 122.820 0.086 0.000 2.596 211 A HA 0.352 4.672 4.320 0.001 0.000 0.300 211 A C 1.108 178.758 177.584 0.110 0.000 1.495 211 A CA 2.235 54.333 52.037 0.101 0.000 0.769 211 A CB -1.522 17.528 19.000 0.085 0.000 1.047 211 A HN 2.672 nan 8.150 nan 0.000 0.436 212 S N -1.604 114.169 115.700 0.123 0.000 2.779 212 S HA 0.857 5.327 4.470 0.001 0.000 0.293 212 S C 0.883 175.598 174.600 0.192 0.000 1.150 212 S CA 0.098 58.385 58.200 0.145 0.000 1.057 212 S CB 0.798 64.057 63.200 0.099 0.000 1.021 212 S HN 1.922 nan 8.310 nan 0.000 0.485 213 I N 1.008 121.740 120.570 0.270 0.000 2.556 213 I HA 0.377 4.547 4.170 0.001 0.000 0.251 213 I C 1.484 177.690 176.117 0.148 0.000 1.105 213 I CA 0.842 62.275 61.300 0.222 0.000 1.436 213 I CB -1.452 36.654 38.000 0.178 0.000 1.139 213 I HN 0.680 nan 8.210 nan 0.000 0.438 214 F N 1.858 121.830 119.950 0.038 0.000 2.772 214 F HA 0.161 4.688 4.527 0.001 0.000 0.302 214 F C 1.305 177.128 175.800 0.038 0.000 1.225 214 F CA 0.161 58.181 58.000 0.033 0.000 1.429 214 F CB -1.022 37.995 39.000 0.028 0.000 1.104 214 F HN 0.407 nan 8.300 nan 0.000 0.550 215 N N 0.316 119.130 118.700 0.189 0.000 2.938 215 N HA 0.316 5.056 4.740 0.001 0.000 0.335 215 N C 0.016 175.576 175.510 0.084 0.000 1.358 215 N CA -0.596 52.528 53.050 0.124 0.000 0.812 215 N CB 0.880 39.429 38.487 0.103 0.000 1.233 215 N HN -0.015 nan 8.380 nan 0.000 0.593 216 R N 0.772 121.312 120.500 0.067 0.000 4.141 216 R HA 0.169 4.510 4.340 0.001 0.000 0.281 216 R C -0.219 176.074 176.300 -0.012 0.000 1.608 216 R CA -0.593 55.536 56.100 0.050 0.000 1.426 216 R CB -0.008 30.356 30.300 0.106 0.000 1.432 216 R HN 0.406 nan 8.270 nan 0.000 0.708 217 R N 0.327 120.828 120.500 0.002 0.000 2.890 217 R HA 0.240 4.581 4.340 0.001 0.000 0.271 217 R C 0.585 176.813 176.300 -0.121 0.000 0.983 217 R CA 0.353 56.427 56.100 -0.042 0.000 1.145 217 R CB -0.338 29.994 30.300 0.053 0.000 1.050 217 R HN 0.331 nan 8.270 nan 0.000 0.465 218 G N -1.870 106.821 108.800 -0.182 0.000 2.612 218 G HA2 0.023 3.983 3.960 0.001 0.000 0.686 218 G HA3 0.023 3.983 3.960 0.001 0.000 0.686 218 G C -1.616 172.985 174.900 -0.499 0.000 1.274 218 G CA -0.470 44.505 45.100 -0.209 0.000 0.849 218 G HN 0.590 nan 8.290 nan 0.000 0.595 219 Y N -0.921 118.981 120.300 -0.663 0.000 2.545 219 Y HA 0.711 5.261 4.550 0.000 0.000 0.348 219 Y C 0.548 175.956 175.900 -0.821 0.000 1.002 219 Y CA -0.850 56.755 58.100 -0.825 0.000 1.039 219 Y CB 1.882 39.749 38.460 -0.988 0.000 1.271 219 Y HN 0.788 nan 8.280 nan 0.000 0.467 220 F N -1.205 118.501 119.950 -0.406 0.000 2.425 220 F HA 0.810 5.337 4.527 0.000 0.000 0.331 220 F C 0.051 175.815 175.800 -0.060 0.000 1.085 220 F CA -1.284 56.528 58.000 -0.313 0.000 1.028 220 F CB 0.729 39.459 39.000 -0.448 0.000 1.177 220 F HN 0.263 nan 8.300 nan 0.000 0.487 221 S N 0.898 116.800 115.700 0.337 0.000 2.585 221 S HA 0.038 4.509 4.470 0.001 0.000 0.273 221 S C -0.500 174.375 174.600 0.459 0.000 1.339 221 S CA -0.516 57.919 58.200 0.392 0.000 1.028 221 S CB 0.376 63.764 63.200 0.314 0.000 0.906 221 S HN 0.726 nan 8.310 nan 0.000 0.528 222 D N 2.410 123.076 120.400 0.443 0.000 2.339 222 D HA 0.172 4.812 4.640 0.001 0.000 0.241 222 D C -1.353 175.172 176.300 0.375 0.000 1.183 222 D CA -2.154 52.180 54.000 0.557 0.000 0.859 222 D CB 1.249 42.324 40.800 0.459 0.000 1.067 222 D HN 0.139 nan 8.370 nan 0.000 0.484 223 P HA -0.161 nan 4.420 nan 0.000 0.222 223 P C 0.929 178.412 177.300 0.305 0.000 1.142 223 P CA 0.723 63.991 63.100 0.281 0.000 0.788 223 P CB 0.281 32.080 31.700 0.165 0.000 0.767 224 A N -0.377 122.583 122.820 0.233 0.000 1.968 224 A HA -0.088 4.233 4.320 0.001 0.000 0.217 224 A C 2.145 179.721 177.584 -0.014 0.000 1.169 224 A CA 0.940 53.030 52.037 0.089 0.000 0.638 224 A CB -1.327 17.731 19.000 0.098 0.000 0.812 224 A HN 0.187 nan 8.150 nan 0.000 0.446 225 L N -0.127 121.123 121.223 0.045 0.000 2.179 225 L HA 0.060 4.401 4.340 0.001 0.000 0.208 225 L C 2.071 178.982 176.870 0.068 0.000 1.096 225 L CA 1.361 56.196 54.840 -0.007 0.000 0.779 225 L CB -0.340 41.733 42.059 0.023 0.000 0.922 225 L HN 0.407 nan 8.230 nan 0.000 0.443 226 I N -1.155 119.514 120.570 0.164 0.000 2.315 226 I HA -0.254 3.917 4.170 0.001 0.000 0.248 226 I C 2.266 178.557 176.117 0.290 0.000 1.117 226 I CA 0.865 62.311 61.300 0.244 0.000 1.404 226 I CB -0.348 37.836 38.000 0.307 0.000 1.071 226 I HN 0.311 nan 8.210 nan 0.000 0.419 227 L N 0.570 121.886 121.223 0.154 0.000 2.056 227 L HA -0.132 4.208 4.340 0.001 0.000 0.207 227 L C 2.385 179.140 176.870 -0.191 0.000 1.078 227 L CA 1.834 56.534 54.840 -0.232 0.000 0.749 227 L CB -0.476 41.251 42.059 -0.554 0.000 0.901 227 L HN 0.135 nan 8.230 nan 0.000 0.433 228 M N -1.621 117.876 119.600 -0.173 0.000 2.296 228 M HA -0.208 4.272 4.480 0.001 0.000 0.265 228 M C 2.251 178.464 176.300 -0.144 0.000 1.064 228 M CA 1.637 56.812 55.300 -0.209 0.000 1.109 228 M CB -0.587 31.867 32.600 -0.244 0.000 1.396 228 M HN 0.461 nan 8.290 nan 0.000 0.430 229 H N 0.751 119.749 119.070 -0.120 0.000 2.321 229 H HA -0.132 4.424 4.556 0.000 0.000 0.300 229 H C 1.917 177.173 175.328 -0.121 0.000 1.087 229 H CA 1.853 57.837 56.048 -0.107 0.000 1.319 229 H CB 0.254 30.020 29.762 0.008 0.000 1.379 229 H HN 0.195 nan 8.280 nan 0.000 0.501 230 E N 0.621 120.907 120.200 0.144 0.000 2.106 230 E HA -0.123 4.228 4.350 0.001 0.000 0.192 230 E C 2.548 179.139 176.600 -0.015 0.000 0.984 230 E CA 0.792 57.301 56.400 0.182 0.000 0.806 230 E CB -0.252 29.578 29.700 0.217 0.000 0.750 230 E HN 0.563 nan 8.360 nan 0.000 0.458 231 L N 0.531 121.674 121.223 -0.135 0.000 2.131 231 L HA -0.128 4.213 4.340 0.001 0.000 0.210 231 L C 2.450 179.151 176.870 -0.282 0.000 1.092 231 L CA 0.696 55.420 54.840 -0.192 0.000 0.759 231 L CB -0.374 41.525 42.059 -0.266 0.000 0.903 231 L HN 0.095 nan 8.230 nan 0.000 0.435 232 I N -1.178 119.151 120.570 -0.403 0.000 2.315 232 I HA -0.284 3.886 4.170 0.001 0.000 0.248 232 I C 2.599 178.273 176.117 -0.738 0.000 1.117 232 I CA 0.928 61.863 61.300 -0.610 0.000 1.404 232 I CB -0.499 37.111 38.000 -0.650 0.000 1.071 232 I HN 0.326 nan 8.210 nan 0.000 0.419 233 H N 0.209 119.040 119.070 -0.398 0.000 2.353 233 H HA -0.090 4.466 4.556 0.000 0.000 0.300 233 H C 2.520 177.780 175.328 -0.114 0.000 1.090 233 H CA 1.433 57.344 56.048 -0.227 0.000 1.327 233 H CB -0.332 29.382 29.762 -0.080 0.000 1.383 233 H HN 0.159 nan 8.280 nan 0.000 0.508 234 V N 1.363 121.292 119.914 0.024 0.000 2.332 234 V HA -0.235 3.886 4.120 0.001 0.000 0.248 234 V C 2.733 178.849 176.094 0.037 0.000 1.055 234 V CA 1.505 63.835 62.300 0.049 0.000 1.038 234 V CB -0.754 31.085 31.823 0.028 0.000 0.651 234 V HN 0.186 nan 8.190 nan 0.000 0.450 235 L N 0.056 121.224 121.223 -0.091 0.000 2.012 235 L HA -0.237 4.103 4.340 0.001 0.000 0.210 235 L C 2.378 179.317 176.870 0.115 0.000 1.073 235 L CA 2.220 57.016 54.840 -0.073 0.000 0.748 235 L CB -0.948 40.905 42.059 -0.343 0.000 0.891 235 L HN 0.465 nan 8.230 nan 0.000 0.431 236 H N -1.478 117.595 119.070 0.004 0.000 2.321 236 H HA -0.093 4.464 4.556 0.000 0.000 0.300 236 H C 2.052 177.472 175.328 0.154 0.000 1.087 236 H CA 0.656 56.735 56.048 0.052 0.000 1.319 236 H CB -0.334 29.447 29.762 0.032 0.000 1.379 236 H HN 0.545 nan 8.280 nan 0.000 0.501 237 G N 0.609 109.575 108.800 0.277 0.000 2.408 237 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 237 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 237 G C 1.663 176.708 174.900 0.241 0.000 1.150 237 G CA 0.393 45.637 45.100 0.239 0.000 0.776 237 G HN 0.215 nan 8.290 nan 0.000 0.542 238 L N -1.053 120.310 121.223 0.233 0.000 2.093 238 L HA -0.016 4.325 4.340 0.001 0.000 0.208 238 L C 2.192 179.130 176.870 0.113 0.000 1.085 238 L CA 0.777 55.719 54.840 0.170 0.000 0.755 238 L CB -0.226 41.920 42.059 0.146 0.000 0.904 238 L HN 0.200 nan 8.230 nan 0.000 0.435 239 Y N -0.014 120.346 120.300 0.100 0.000 2.471 239 Y HA 0.180 4.731 4.550 0.001 0.000 0.286 239 Y C 1.723 177.794 175.900 0.284 0.000 1.188 239 Y CA 0.227 58.396 58.100 0.114 0.000 1.286 239 Y CB -0.328 38.194 38.460 0.104 0.000 1.072 239 Y HN 0.245 nan 8.280 nan 0.000 0.517 240 G N 1.702 110.719 108.800 0.362 0.000 2.225 240 G HA2 -0.319 3.642 3.960 0.001 0.000 0.267 240 G HA3 -0.319 3.642 3.960 0.001 0.000 0.267 240 G C 0.747 175.855 174.900 0.347 0.000 1.024 240 G CA 0.811 46.116 45.100 0.343 0.000 0.784 240 G HN 0.684 nan 8.290 nan 0.000 0.507 241 I N -3.100 117.659 120.570 0.316 0.000 3.927 241 I HA 0.506 4.676 4.170 0.001 0.000 0.332 241 I C 1.040 177.221 176.117 0.107 0.000 1.485 241 I CA -0.258 61.166 61.300 0.208 0.000 1.131 241 I CB 0.459 38.538 38.000 0.131 0.000 1.092 241 I HN 0.040 nan 8.210 nan 0.000 0.410 242 K N 3.079 123.570 120.400 0.152 0.000 3.277 242 K HA 0.197 4.518 4.320 0.001 0.000 0.280 242 K C 0.311 176.954 176.600 0.072 0.000 1.182 242 K CA -0.276 56.081 56.287 0.117 0.000 1.219 242 K CB -0.132 32.465 32.500 0.161 0.000 1.373 242 K HN 0.488 nan 8.250 nan 0.000 0.392 243 V N -1.474 118.484 119.914 0.073 0.000 2.924 243 V HA 0.193 4.314 4.120 0.001 0.000 0.305 243 V C 0.051 176.156 176.094 0.019 0.000 1.073 243 V CA -0.541 61.797 62.300 0.063 0.000 1.098 243 V CB 1.047 32.923 31.823 0.089 0.000 1.000 243 V HN 0.167 nan 8.190 nan 0.000 0.484 244 D N 2.281 122.688 120.400 0.012 0.000 2.193 244 D HA 0.509 5.149 4.640 0.001 0.000 0.249 244 D C -0.510 175.795 176.300 0.008 0.000 1.034 244 D CA 0.044 54.036 54.000 -0.014 0.000 0.902 244 D CB 2.011 42.794 40.800 -0.028 0.000 1.182 244 D HN 0.897 nan 8.370 nan 0.000 0.436 245 D N 0.119 120.515 120.400 -0.006 0.000 2.838 245 D HA 0.119 4.760 4.640 0.001 0.000 0.334 245 D C -0.958 175.336 176.300 -0.010 0.000 1.315 245 D CA -0.625 53.380 54.000 0.009 0.000 0.917 245 D CB 1.807 42.624 40.800 0.028 0.000 1.435 245 D HN 0.086 nan 8.370 nan 0.000 0.517 246 L N 2.978 124.199 121.223 -0.003 0.000 2.660 246 L HA 0.203 4.543 4.340 0.001 0.000 0.272 246 L C -2.073 174.769 176.870 -0.046 0.000 1.194 246 L CA 0.079 54.906 54.840 -0.022 0.000 0.945 246 L CB 0.090 42.141 42.059 -0.013 0.000 1.212 246 L HN 0.167 nan 8.230 nan 0.000 0.490 247 P HA 0.263 nan 4.420 nan 0.000 0.285 247 P C -0.939 176.310 177.300 -0.085 0.000 1.280 247 P CA -0.764 62.298 63.100 -0.063 0.000 0.862 247 P CB 1.396 33.068 31.700 -0.047 0.000 1.153 248 I N 2.108 122.650 120.570 -0.046 0.000 2.379 248 I HA 0.106 4.276 4.170 0.001 0.000 0.290 248 I C 0.519 176.674 176.117 0.062 0.000 1.063 248 I CA -0.390 60.899 61.300 -0.018 0.000 1.351 248 I CB 0.448 38.531 38.000 0.138 0.000 1.410 248 I HN 0.121 nan 8.210 nan 0.000 0.505 249 V N 6.988 126.893 119.914 -0.016 0.000 2.417 249 V HA 0.602 4.722 4.120 0.001 0.000 0.291 249 V C -2.443 173.622 176.094 -0.048 0.000 1.024 249 V CA -2.159 60.142 62.300 0.002 0.000 0.861 249 V CB 1.495 33.288 31.823 -0.050 0.000 0.985 249 V HN 0.511 nan 8.190 nan 0.000 0.436 250 P HA 0.128 nan 4.420 nan 0.000 0.275 250 P C -0.519 176.608 177.300 -0.288 0.000 1.227 250 P CA -0.112 62.745 63.100 -0.406 0.000 0.781 250 P CB 0.881 32.327 31.700 -0.423 0.000 0.906 251 N N 2.407 120.903 118.700 -0.340 0.000 2.497 251 N HA -0.001 4.740 4.740 0.001 0.000 0.271 251 N C 0.068 175.400 175.510 -0.297 0.000 1.142 251 N CA 0.390 53.275 53.050 -0.275 0.000 0.965 251 N CB 0.116 38.408 38.487 -0.325 0.000 1.077 251 N HN 0.352 nan 8.380 nan 0.000 0.462 252 E N 1.899 121.961 120.200 -0.230 0.000 2.812 252 E HA 0.128 4.478 4.350 0.001 0.000 0.211 252 E C 0.459 176.935 176.600 -0.207 0.000 0.986 252 E CA -0.105 56.171 56.400 -0.207 0.000 1.119 252 E CB 0.542 30.168 29.700 -0.122 0.000 1.046 252 E HN 0.580 nan 8.360 nan 0.000 0.474 253 K N 0.544 120.794 120.400 -0.251 0.000 2.155 253 K HA 0.029 4.349 4.320 0.001 0.000 0.203 253 K C 0.581 177.030 176.600 -0.252 0.000 1.052 253 K CA 0.742 56.909 56.287 -0.200 0.000 0.948 253 K CB 0.279 32.686 32.500 -0.155 0.000 0.728 253 K HN -0.148 nan 8.250 nan 0.000 0.448 254 K N 1.004 121.110 120.400 -0.489 0.000 2.138 254 K HA 0.084 4.404 4.320 0.001 0.000 0.263 254 K C 0.839 177.028 176.600 -0.685 0.000 0.965 254 K CA -0.416 55.456 56.287 -0.692 0.000 0.868 254 K CB 0.900 32.526 32.500 -1.458 0.000 1.083 254 K HN 0.005 nan 8.250 nan 0.000 0.443 255 F N 1.210 120.925 119.950 -0.393 0.000 2.307 255 F HA -0.191 4.333 4.527 -0.005 0.000 0.301 255 F C 1.168 176.878 175.800 -0.150 0.000 1.076 255 F CA 0.905 58.783 58.000 -0.204 0.000 1.383 255 F CB -0.653 38.309 39.000 -0.065 0.000 1.055 255 F HN 0.441 nan 8.300 nan 0.000 0.526 256 F N -0.530 118.891 119.950 -0.882 0.000 2.765 256 F HA 0.432 4.967 4.527 0.013 0.000 0.302 256 F C 0.469 176.255 175.800 -0.023 0.000 1.111 256 F CA -1.272 56.469 58.000 -0.432 0.000 1.359 256 F CB -1.189 37.585 39.000 -0.376 0.000 1.097 256 F HN -0.121 nan 8.300 nan 0.000 0.577 257 M N 2.093 121.498 119.600 -0.325 0.000 2.180 257 M HA 0.173 4.654 4.480 0.001 0.000 0.358 257 M C 0.190 176.464 176.300 -0.044 0.000 1.233 257 M CA -0.223 54.992 55.300 -0.143 0.000 1.114 257 M CB 1.241 33.600 32.600 -0.403 0.000 1.594 257 M HN 0.209 nan 8.290 nan 0.000 0.467 258 Q N 1.952 121.787 119.800 0.059 0.000 2.313 258 Q HA 0.168 4.508 4.340 0.001 0.000 0.266 258 Q C -0.987 175.048 176.000 0.060 0.000 0.989 258 Q CA 0.035 55.906 55.803 0.113 0.000 0.890 258 Q CB 0.818 29.703 28.738 0.246 0.000 1.200 258 Q HN 0.678 nan 8.270 nan 0.000 0.396 259 S N 2.895 118.659 115.700 0.108 0.000 2.480 259 S HA 0.534 5.004 4.470 0.001 0.000 0.286 259 S C -0.556 174.107 174.600 0.105 0.000 1.180 259 S CA -0.429 57.815 58.200 0.073 0.000 1.075 259 S CB 1.712 64.962 63.200 0.083 0.000 0.996 259 S HN 0.721 nan 8.310 nan 0.000 0.487 260 T N 1.701 116.317 114.554 0.104 0.000 2.802 260 T HA 0.280 4.630 4.350 0.001 0.000 0.311 260 T C -1.745 173.019 174.700 0.108 0.000 1.405 260 T CA -0.808 61.374 62.100 0.136 0.000 1.016 260 T CB 0.949 69.989 68.868 0.285 0.000 1.352 260 T HN 0.455 nan 8.240 nan 0.000 0.498 261 D N 1.585 122.038 120.400 0.090 0.000 2.360 261 D HA 0.475 5.115 4.640 0.001 0.000 0.242 261 D C 0.438 176.796 176.300 0.097 0.000 1.184 261 D CA -0.020 54.021 54.000 0.068 0.000 0.930 261 D CB 0.828 41.659 40.800 0.052 0.000 1.161 261 D HN 0.788 nan 8.370 nan 0.000 0.447 262 A N 1.203 124.057 122.820 0.057 0.000 2.498 262 A HA 0.234 4.554 4.320 0.001 0.000 0.239 262 A C 0.300 177.909 177.584 0.041 0.000 1.068 262 A CA 0.043 52.111 52.037 0.052 0.000 0.766 262 A CB -0.156 18.849 19.000 0.009 0.000 1.003 262 A HN 0.481 nan 8.150 nan 0.000 0.497 263 I N 2.901 123.496 120.570 0.041 0.000 2.328 263 I HA 0.160 4.331 4.170 0.001 0.000 0.287 263 I C 0.059 176.121 176.117 -0.091 0.000 1.012 263 I CA -0.523 60.746 61.300 -0.052 0.000 1.195 263 I CB 1.195 39.131 38.000 -0.107 0.000 1.350 263 I HN 0.594 nan 8.210 nan 0.000 0.464 264 Q N 3.545 123.279 119.800 -0.110 0.000 2.373 264 Q HA 0.229 4.569 4.340 0.001 0.000 0.255 264 Q C 1.121 177.010 176.000 -0.185 0.000 0.980 264 Q CA -0.022 55.709 55.803 -0.120 0.000 0.882 264 Q CB 1.491 30.169 28.738 -0.100 0.000 1.249 264 Q HN 0.848 nan 8.270 nan 0.000 0.438 265 A N 2.368 125.049 122.820 -0.231 0.000 1.940 265 A HA -0.219 4.101 4.320 0.001 0.000 0.219 265 A C 1.758 178.948 177.584 -0.657 0.000 1.176 265 A CA 1.724 53.495 52.037 -0.442 0.000 0.631 265 A CB -0.252 18.453 19.000 -0.491 0.000 0.814 265 A HN 0.810 nan 8.150 nan 0.000 0.446 266 E N 0.436 120.399 120.200 -0.395 0.000 2.160 266 E HA -0.234 4.116 4.350 0.001 0.000 0.195 266 E C 1.776 178.387 176.600 0.017 0.000 0.991 266 E CA 1.654 57.948 56.400 -0.178 0.000 0.810 266 E CB -0.204 29.486 29.700 -0.017 0.000 0.742 266 E HN 0.789 nan 8.360 nan 0.000 0.466 267 E N 0.286 120.476 120.200 -0.017 0.000 2.051 267 E HA -0.139 4.211 4.350 0.001 0.000 0.192 267 E C 2.402 179.015 176.600 0.022 0.000 0.991 267 E CA 1.016 57.456 56.400 0.068 0.000 0.799 267 E CB -0.128 29.503 29.700 -0.115 0.000 0.748 267 E HN 0.299 nan 8.360 nan 0.000 0.449 268 L N 0.209 121.369 121.223 -0.104 0.000 2.201 268 L HA -0.152 4.189 4.340 0.001 0.000 0.212 268 L C 2.315 179.354 176.870 0.281 0.000 1.105 268 L CA 0.667 55.524 54.840 0.027 0.000 0.775 268 L CB -0.383 41.670 42.059 -0.010 0.000 0.913 268 L HN 0.168 nan 8.230 nan 0.000 0.440 269 Y N 0.389 120.770 120.300 0.136 0.000 2.200 269 Y HA -0.165 4.385 4.550 0.000 0.000 0.290 269 Y C 2.912 178.880 175.900 0.113 0.000 1.137 269 Y CA 0.970 59.161 58.100 0.153 0.000 1.163 269 Y CB -1.429 37.060 38.460 0.048 0.000 0.988 269 Y HN 0.132 nan 8.280 nan 0.000 0.518 270 T N 0.474 115.174 114.554 0.243 0.000 2.720 270 T HA -0.232 4.118 4.350 0.001 0.000 0.268 270 T C 1.756 176.463 174.700 0.011 0.000 1.037 270 T CA 1.590 63.675 62.100 -0.026 0.000 1.144 270 T CB -0.704 67.935 68.868 -0.382 0.000 0.864 270 T HN 0.266 nan 8.240 nan 0.000 0.444 271 F N 1.419 121.430 119.950 0.103 0.000 2.206 271 F HA 0.256 4.784 4.527 0.002 0.000 0.298 271 F C 1.642 177.512 175.800 0.116 0.000 1.090 271 F CA 0.984 59.080 58.000 0.159 0.000 1.323 271 F CB -0.643 38.466 39.000 0.182 0.000 1.028 271 F HN 0.390 nan 8.300 nan 0.000 0.492 272 G N -0.128 108.785 108.800 0.188 0.000 2.598 272 G HA2 0.181 4.141 3.960 0.001 0.000 0.244 272 G HA3 0.181 4.141 3.960 0.001 0.000 0.244 272 G C 0.726 175.733 174.900 0.177 0.000 1.302 272 G CA 0.032 45.208 45.100 0.127 0.000 0.903 272 G HN 1.549 nan 8.290 nan 0.000 0.575 273 G N -1.352 107.500 108.800 0.088 0.000 2.550 273 G HA2 -0.027 3.933 3.960 0.001 0.000 0.277 273 G HA3 -0.027 3.933 3.960 0.001 0.000 0.277 273 G C 1.246 176.251 174.900 0.175 0.000 1.190 273 G CA 2.192 47.368 45.100 0.127 0.000 0.971 273 G HN 2.365 nan 8.290 nan 0.000 0.559 274 Q N -0.339 119.580 119.800 0.200 0.000 2.245 274 Q HA 0.066 4.406 4.340 0.001 0.000 0.201 274 Q C 1.753 177.875 176.000 0.203 0.000 0.955 274 Q CA 1.828 57.733 55.803 0.171 0.000 0.870 274 Q CB -0.133 28.681 28.738 0.128 0.000 0.945 274 Q HN 0.554 nan 8.270 nan 0.000 0.461 275 D N 2.114 122.677 120.400 0.271 0.000 2.149 275 D HA -0.149 4.491 4.640 0.001 0.000 0.194 275 D C -0.721 175.742 176.300 0.271 0.000 1.001 275 D CA 1.458 55.627 54.000 0.281 0.000 0.849 275 D CB -1.505 39.489 40.800 0.323 0.000 0.939 275 D HN 0.358 nan 8.370 nan 0.000 0.449 276 P HA -0.060 nan 4.420 nan 0.000 0.217 276 P C 1.238 178.710 177.300 0.287 0.000 1.148 276 P CA 1.309 64.630 63.100 0.368 0.000 0.828 276 P CB 0.020 31.902 31.700 0.303 0.000 0.783 277 S N -0.990 114.844 115.700 0.224 0.000 2.469 277 S HA -0.062 4.408 4.470 0.001 0.000 0.238 277 S C 1.699 176.425 174.600 0.209 0.000 0.998 277 S CA 0.784 59.113 58.200 0.214 0.000 0.957 277 S CB -0.970 62.353 63.200 0.203 0.000 0.764 277 S HN 0.196 nan 8.310 nan 0.000 0.514 278 I N 1.108 121.797 120.570 0.198 0.000 3.001 278 I HA -0.008 4.163 4.170 0.001 0.000 0.268 278 I C -0.175 176.078 176.117 0.228 0.000 1.267 278 I CA 0.502 61.915 61.300 0.189 0.000 1.472 278 I CB 0.060 38.149 38.000 0.147 0.000 1.089 278 I HN 0.172 nan 8.210 nan 0.000 0.468 279 I N 1.944 122.651 120.570 0.228 0.000 2.297 279 I HA 0.080 4.250 4.170 0.001 0.000 0.291 279 I C 0.988 177.254 176.117 0.248 0.000 1.033 279 I CA -0.208 61.225 61.300 0.223 0.000 1.253 279 I CB 0.545 38.683 38.000 0.231 0.000 1.396 279 I HN 0.087 nan 8.210 nan 0.000 0.476 280 T N 4.789 119.484 114.554 0.234 0.000 2.855 280 T HA 0.144 4.494 4.350 0.001 0.000 0.314 280 T C -1.739 173.079 174.700 0.197 0.000 1.077 280 T CA -0.903 61.320 62.100 0.205 0.000 1.095 280 T CB 0.634 69.615 68.868 0.188 0.000 0.987 280 T HN 0.316 nan 8.240 nan 0.000 0.546 281 P HA -0.067 nan 4.420 nan 0.000 0.216 281 P C 1.879 179.252 177.300 0.122 0.000 1.150 281 P CA 1.073 64.271 63.100 0.163 0.000 0.837 281 P CB -0.112 31.690 31.700 0.169 0.000 0.786 282 S N -0.930 114.831 115.700 0.101 0.000 2.359 282 S HA -0.170 4.300 4.470 0.001 0.000 0.223 282 S C 1.937 176.598 174.600 0.102 0.000 1.039 282 S CA 2.085 60.331 58.200 0.077 0.000 1.042 282 S CB -1.567 61.675 63.200 0.069 0.000 0.915 282 S HN 0.266 nan 8.310 nan 0.000 0.439 283 T N 1.925 116.558 114.554 0.131 0.000 2.951 283 T HA -0.054 4.297 4.350 0.001 0.000 0.268 283 T C 1.320 176.141 174.700 0.202 0.000 1.073 283 T CA 0.996 63.179 62.100 0.140 0.000 1.134 283 T CB -0.387 68.554 68.868 0.122 0.000 0.884 283 T HN 0.282 nan 8.240 nan 0.000 0.479 284 D N 1.484 122.034 120.400 0.250 0.000 2.097 284 D HA -0.040 4.600 4.640 0.001 0.000 0.195 284 D C 2.157 178.630 176.300 0.287 0.000 0.989 284 D CA 1.087 55.302 54.000 0.358 0.000 0.827 284 D CB -0.088 40.903 40.800 0.319 0.000 0.966 284 D HN 0.355 nan 8.370 nan 0.000 0.456 285 K N 0.420 120.915 120.400 0.159 0.000 2.148 285 K HA -0.041 4.280 4.320 0.001 0.000 0.204 285 K C 2.193 178.881 176.600 0.146 0.000 1.050 285 K CA 0.625 56.967 56.287 0.091 0.000 0.942 285 K CB -0.055 32.441 32.500 -0.006 0.000 0.724 285 K HN -0.064 nan 8.250 nan 0.000 0.446 286 S N 1.275 117.056 115.700 0.136 0.000 2.356 286 S HA -0.108 4.362 4.470 0.001 0.000 0.223 286 S C 1.941 176.627 174.600 0.143 0.000 1.032 286 S CA 0.963 59.233 58.200 0.116 0.000 1.005 286 S CB -0.148 63.109 63.200 0.095 0.000 0.867 286 S HN 0.182 nan 8.310 nan 0.000 0.449 287 I N 0.058 120.746 120.570 0.197 0.000 2.202 287 I HA -0.134 4.037 4.170 0.001 0.000 0.242 287 I C 2.274 178.525 176.117 0.224 0.000 1.091 287 I CA 1.710 63.145 61.300 0.225 0.000 1.368 287 I CB -0.600 37.596 38.000 0.326 0.000 1.058 287 I HN 0.408 nan 8.210 nan 0.000 0.410 288 Y N 2.139 122.482 120.300 0.072 0.000 2.081 288 Y HA -0.376 4.175 4.550 0.001 0.000 0.280 288 Y C 2.243 178.062 175.900 -0.136 0.000 1.163 288 Y CA 2.092 60.058 58.100 -0.222 0.000 1.135 288 Y CB -0.262 38.056 38.460 -0.237 0.000 0.970 288 Y HN 0.205 nan 8.280 nan 0.000 0.498 289 D N 0.107 120.623 120.400 0.194 0.000 2.123 289 D HA -0.172 4.468 4.640 0.001 0.000 0.196 289 D C 2.029 178.308 176.300 -0.035 0.000 0.992 289 D CA 1.595 55.638 54.000 0.071 0.000 0.833 289 D CB -0.255 40.598 40.800 0.090 0.000 0.954 289 D HN 0.413 nan 8.370 nan 0.000 0.455 290 K N 0.261 120.667 120.400 0.011 0.000 2.148 290 K HA -0.049 4.272 4.320 0.001 0.000 0.204 290 K C 2.117 178.706 176.600 -0.018 0.000 1.050 290 K CA 0.435 56.728 56.287 0.009 0.000 0.942 290 K CB 0.062 32.593 32.500 0.052 0.000 0.724 290 K HN 0.020 nan 8.250 nan 0.000 0.446 291 V N 1.503 121.393 119.914 -0.041 0.000 2.453 291 V HA -0.209 3.912 4.120 0.001 0.000 0.247 291 V C 2.119 178.069 176.094 -0.240 0.000 1.048 291 V CA 1.151 63.411 62.300 -0.066 0.000 1.049 291 V CB -0.317 31.507 31.823 0.001 0.000 0.672 291 V HN 0.252 nan 8.190 nan 0.000 0.457 292 L N 0.370 121.356 121.223 -0.396 0.000 2.046 292 L HA -0.169 4.171 4.340 0.001 0.000 0.208 292 L C 2.426 179.083 176.870 -0.355 0.000 1.077 292 L CA 2.180 56.572 54.840 -0.748 0.000 0.747 292 L CB -1.006 40.543 42.059 -0.851 0.000 0.896 292 L HN 0.351 nan 8.230 nan 0.000 0.432 293 Q N -0.034 119.643 119.800 -0.205 0.000 2.096 293 Q HA -0.222 4.118 4.340 0.001 0.000 0.204 293 Q C 2.047 178.003 176.000 -0.073 0.000 0.982 293 Q CA 2.047 57.781 55.803 -0.116 0.000 0.850 293 Q CB -0.446 28.252 28.738 -0.067 0.000 0.901 293 Q HN 0.581 nan 8.270 nan 0.000 0.422 294 N N -0.689 117.998 118.700 -0.021 0.000 2.120 294 N HA -0.125 4.615 4.740 0.001 0.000 0.188 294 N C 1.379 176.918 175.510 0.048 0.000 1.024 294 N CA 1.119 54.174 53.050 0.008 0.000 0.852 294 N CB -0.402 38.148 38.487 0.105 0.000 1.003 294 N HN 0.245 nan 8.380 nan 0.000 0.424 295 F N 1.730 121.587 119.950 -0.155 0.000 2.234 295 F HA 0.018 4.546 4.527 0.001 0.000 0.299 295 F C 2.313 178.011 175.800 -0.169 0.000 1.087 295 F CA 0.631 58.572 58.000 -0.098 0.000 1.340 295 F CB -0.415 38.641 39.000 0.095 0.000 1.031 295 F HN -0.008 nan 8.300 nan 0.000 0.500 296 R N -0.340 120.136 120.500 -0.041 0.000 2.081 296 R HA -0.112 4.229 4.340 0.001 0.000 0.235 296 R C 2.582 178.758 176.300 -0.206 0.000 1.131 296 R CA 1.226 57.231 56.100 -0.158 0.000 0.960 296 R CB -1.180 29.033 30.300 -0.145 0.000 0.856 296 R HN 0.371 nan 8.270 nan 0.000 0.436 297 G N 1.653 110.333 108.800 -0.199 0.000 2.421 297 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 297 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 297 G C 1.387 176.084 174.900 -0.338 0.000 1.171 297 G CA 0.498 45.456 45.100 -0.237 0.000 0.775 297 G HN 0.068 nan 8.290 nan 0.000 0.543 298 I N 0.698 120.986 120.570 -0.470 0.000 2.226 298 I HA -0.101 4.069 4.170 0.001 0.000 0.245 298 I C 2.864 178.752 176.117 -0.382 0.000 1.100 298 I CA 0.752 61.690 61.300 -0.603 0.000 1.374 298 I CB -1.203 36.259 38.000 -0.897 0.000 1.057 298 I HN 0.101 nan 8.210 nan 0.000 0.413 299 V N 1.231 120.856 119.914 -0.482 0.000 2.515 299 V HA -0.278 3.843 4.120 0.001 0.000 0.250 299 V C 2.209 178.096 176.094 -0.345 0.000 1.058 299 V CA 2.329 64.175 62.300 -0.757 0.000 1.064 299 V CB -0.361 30.698 31.823 -1.274 0.000 0.675 299 V HN 0.382 nan 8.190 nan 0.000 0.461 300 D N -0.242 120.003 120.400 -0.258 0.000 2.117 300 D HA -0.176 4.464 4.640 0.001 0.000 0.198 300 D C 2.333 178.579 176.300 -0.091 0.000 0.982 300 D CA 1.454 55.365 54.000 -0.148 0.000 0.828 300 D CB -0.153 40.569 40.800 -0.130 0.000 0.967 300 D HN 0.381 nan 8.370 nan 0.000 0.464 301 R N -0.256 120.177 120.500 -0.111 0.000 2.091 301 R HA -0.066 4.274 4.340 0.001 0.000 0.238 301 R C 2.494 178.818 176.300 0.040 0.000 1.136 301 R CA 0.925 57.004 56.100 -0.036 0.000 0.959 301 R CB -0.353 29.907 30.300 -0.067 0.000 0.856 301 R HN 0.309 nan 8.270 nan 0.000 0.437 302 L N 0.789 122.044 121.223 0.053 0.000 2.131 302 L HA -0.181 4.159 4.340 0.001 0.000 0.210 302 L C 1.664 178.658 176.870 0.207 0.000 1.092 302 L CA 1.015 55.932 54.840 0.128 0.000 0.759 302 L CB -0.462 41.578 42.059 -0.031 0.000 0.903 302 L HN 0.269 nan 8.230 nan 0.000 0.435 303 N N 0.180 118.976 118.700 0.161 0.000 2.457 303 N HA -0.088 4.653 4.740 0.001 0.000 0.180 303 N C 1.419 176.965 175.510 0.060 0.000 1.050 303 N CA 0.928 54.063 53.050 0.143 0.000 0.906 303 N CB 0.212 38.739 38.487 0.066 0.000 0.968 303 N HN 0.428 nan 8.380 nan 0.000 0.445 304 K N -0.087 120.327 120.400 0.025 0.000 2.380 304 K HA 0.153 4.474 4.320 0.001 0.000 0.198 304 K C 0.273 176.844 176.600 -0.048 0.000 1.070 304 K CA -0.136 56.144 56.287 -0.011 0.000 1.040 304 K CB 1.171 33.659 32.500 -0.020 0.000 0.903 304 K HN -0.139 nan 8.250 nan 0.000 0.549 305 V N 2.420 122.285 119.914 -0.082 0.000 2.557 305 V HA -0.055 4.066 4.120 0.001 0.000 0.301 305 V C 0.622 176.607 176.094 -0.182 0.000 1.026 305 V CA 0.727 62.880 62.300 -0.245 0.000 1.137 305 V CB 0.306 31.814 31.823 -0.524 0.000 0.917 305 V HN 0.243 nan 8.190 nan 0.000 0.484 306 L N 6.443 127.557 121.223 -0.181 0.000 2.758 306 L HA 0.372 4.712 4.340 0.001 0.000 0.234 306 L C 0.166 176.983 176.870 -0.088 0.000 1.049 306 L CA 0.654 55.436 54.840 -0.096 0.000 0.908 306 L CB 0.956 42.982 42.059 -0.056 0.000 1.362 306 L HN 0.665 nan 8.230 nan 0.000 0.499 307 V N -4.311 115.533 119.914 -0.117 0.000 3.202 307 V HA 0.498 4.619 4.120 0.001 0.000 0.306 307 V C -1.521 174.556 176.094 -0.027 0.000 1.283 307 V CA -1.353 60.917 62.300 -0.050 0.000 1.065 307 V CB 2.171 33.984 31.823 -0.017 0.000 1.079 307 V HN 0.041 nan 8.190 nan 0.000 0.448 308 C N 4.173 123.505 119.300 0.054 0.000 2.321 308 C HA 0.645 5.105 4.460 0.001 0.000 0.323 308 C C 1.295 176.318 174.990 0.056 0.000 1.191 308 C CA -0.456 58.627 59.018 0.109 0.000 1.455 308 C CB -0.201 27.622 27.740 0.139 0.000 2.083 308 C HN 1.056 nan 8.230 nan 0.000 0.442 309 I N 4.378 124.973 120.570 0.043 0.000 3.564 309 I HA 0.121 4.291 4.170 0.001 0.000 0.294 309 I C 1.269 177.396 176.117 0.016 0.000 1.289 309 I CA 1.170 62.483 61.300 0.022 0.000 1.325 309 I CB -1.321 36.687 38.000 0.013 0.000 1.039 309 I HN 0.717 nan 8.210 nan 0.000 0.474 310 S N -0.561 115.152 115.700 0.023 0.000 2.549 310 S HA 0.179 4.650 4.470 0.001 0.000 0.225 310 S C 0.286 174.891 174.600 0.007 0.000 1.039 310 S CA -0.164 58.040 58.200 0.007 0.000 0.942 310 S CB 0.316 63.517 63.200 0.003 0.000 0.881 310 S HN 0.438 nan 8.310 nan 0.000 0.503 311 D N 1.328 121.742 120.400 0.023 0.000 2.323 311 D HA 0.464 5.104 4.640 0.001 0.000 0.242 311 D C -2.577 173.744 176.300 0.035 0.000 1.347 311 D CA -1.861 52.154 54.000 0.025 0.000 0.988 311 D CB 1.860 42.684 40.800 0.040 0.000 1.314 311 D HN -0.162 nan 8.370 nan 0.000 0.564 312 P HA -0.065 nan 4.420 nan 0.000 0.221 312 P C 0.926 178.252 177.300 0.043 0.000 1.145 312 P CA 0.737 63.857 63.100 0.032 0.000 0.795 312 P CB 0.217 31.931 31.700 0.022 0.000 0.775 313 N N -0.941 117.787 118.700 0.046 0.000 2.446 313 N HA -0.016 4.724 4.740 0.001 0.000 0.179 313 N C 0.187 175.749 175.510 0.087 0.000 1.054 313 N CA -0.101 52.985 53.050 0.059 0.000 0.905 313 N CB 0.096 38.614 38.487 0.052 0.000 0.973 313 N HN -0.034 nan 8.380 nan 0.000 0.448 314 I N 2.318 122.940 120.570 0.085 0.000 2.683 314 I HA -0.086 4.085 4.170 0.001 0.000 0.286 314 I C 0.524 176.716 176.117 0.125 0.000 1.175 314 I CA 0.293 61.648 61.300 0.091 0.000 1.429 314 I CB 0.036 38.022 38.000 -0.024 0.000 1.371 314 I HN 0.094 nan 8.210 nan 0.000 0.569 315 N N 7.619 126.436 118.700 0.195 0.000 2.437 315 N HA 0.100 4.840 4.740 0.001 0.000 0.243 315 N C 0.993 176.663 175.510 0.268 0.000 1.041 315 N CA -0.455 52.710 53.050 0.190 0.000 0.940 315 N CB 0.811 39.391 38.487 0.155 0.000 1.133 315 N HN 0.307 nan 8.380 nan 0.000 0.506 316 I N 2.801 123.512 120.570 0.235 0.000 2.151 316 I HA -0.322 3.848 4.170 0.001 0.000 0.243 316 I C 1.716 178.015 176.117 0.304 0.000 1.080 316 I CA 1.087 62.569 61.300 0.305 0.000 1.339 316 I CB -1.025 37.077 38.000 0.170 0.000 1.039 316 I HN 0.548 nan 8.210 nan 0.000 0.409 317 N N 1.213 120.033 118.700 0.200 0.000 2.043 317 N HA -0.157 4.583 4.740 0.001 0.000 0.193 317 N C 1.954 177.545 175.510 0.135 0.000 1.037 317 N CA 1.227 54.378 53.050 0.168 0.000 0.851 317 N CB -0.380 38.176 38.487 0.116 0.000 1.027 317 N HN 0.241 nan 8.380 nan 0.000 0.422 318 I N 0.738 121.362 120.570 0.090 0.000 2.185 318 I HA -0.301 3.870 4.170 0.001 0.000 0.246 318 I C 2.016 178.022 176.117 -0.186 0.000 1.088 318 I CA 1.457 62.732 61.300 -0.041 0.000 1.347 318 I CB -1.175 36.790 38.000 -0.059 0.000 1.041 318 I HN 0.132 nan 8.210 nan 0.000 0.415 319 Y N 0.977 121.196 120.300 -0.134 0.000 2.220 319 Y HA -0.117 4.433 4.550 0.000 0.000 0.291 319 Y C 2.576 178.353 175.900 -0.205 0.000 1.129 319 Y CA 1.236 59.116 58.100 -0.366 0.000 1.161 319 Y CB -0.332 37.892 38.460 -0.393 0.000 0.997 319 Y HN 0.104 nan 8.280 nan 0.000 0.522 320 K N -0.047 120.511 120.400 0.264 0.000 2.147 320 K HA -0.160 4.161 4.320 0.001 0.000 0.205 320 K C 1.561 178.226 176.600 0.108 0.000 1.049 320 K CA 1.297 57.746 56.287 0.270 0.000 0.936 320 K CB -0.118 32.576 32.500 0.322 0.000 0.722 320 K HN 0.305 nan 8.250 nan 0.000 0.446 321 N N 1.092 119.828 118.700 0.060 0.000 2.135 321 N HA -0.141 4.599 4.740 0.001 0.000 0.186 321 N C 1.655 177.122 175.510 -0.072 0.000 1.027 321 N CA 1.084 54.154 53.050 0.033 0.000 0.849 321 N CB -0.167 38.323 38.487 0.005 0.000 1.002 321 N HN 0.001 nan 8.380 nan 0.000 0.425 322 K N 1.044 121.295 120.400 -0.249 0.000 2.002 322 K HA 0.035 4.355 4.320 0.001 0.000 0.209 322 K C 1.931 178.372 176.600 -0.265 0.000 1.048 322 K CA 1.242 57.304 56.287 -0.376 0.000 0.930 322 K CB -0.761 31.311 32.500 -0.712 0.000 0.714 322 K HN 0.168 nan 8.250 nan 0.000 0.438 323 F N 1.203 121.123 119.950 -0.050 0.000 2.171 323 F HA -0.169 4.359 4.527 0.001 0.000 0.300 323 F C 2.404 178.211 175.800 0.011 0.000 1.090 323 F CA 1.009 59.035 58.000 0.043 0.000 1.293 323 F CB -0.164 38.984 39.000 0.247 0.000 1.013 323 F HN 0.096 nan 8.300 nan 0.000 0.486 324 K N 0.813 121.299 120.400 0.144 0.000 2.032 324 K HA -0.267 4.054 4.320 0.001 0.000 0.209 324 K C 1.653 178.274 176.600 0.035 0.000 1.048 324 K CA 2.287 58.635 56.287 0.102 0.000 0.927 324 K CB -0.468 32.098 32.500 0.111 0.000 0.712 324 K HN 0.203 nan 8.250 nan 0.000 0.441 325 D N 0.543 120.947 120.400 0.007 0.000 2.117 325 D HA -0.145 4.495 4.640 0.001 0.000 0.198 325 D C 2.015 178.267 176.300 -0.081 0.000 0.982 325 D CA 1.264 55.254 54.000 -0.018 0.000 0.828 325 D CB 0.048 40.829 40.800 -0.032 0.000 0.967 325 D HN 0.228 nan 8.370 nan 0.000 0.464 326 K N -0.778 119.521 120.400 -0.169 0.000 2.009 326 K HA -0.208 4.113 4.320 0.001 0.000 0.210 326 K C 1.515 177.870 176.600 -0.409 0.000 1.049 326 K CA 1.331 57.419 56.287 -0.332 0.000 0.929 326 K CB -0.352 31.817 32.500 -0.551 0.000 0.714 326 K HN 0.279 nan 8.250 nan 0.000 0.440 327 Y N 0.898 120.958 120.300 -0.401 0.000 2.490 327 Y HA 0.125 4.676 4.550 0.000 0.000 0.281 327 Y C 0.065 175.686 175.900 -0.465 0.000 1.174 327 Y CA -0.054 57.636 58.100 -0.684 0.000 1.295 327 Y CB 0.501 37.952 38.460 -1.681 0.000 1.062 327 Y HN 0.006 nan 8.280 nan 0.000 0.522 328 K N -0.079 120.246 120.400 -0.125 0.000 3.071 328 K HA -0.223 4.098 4.320 0.001 0.000 0.265 328 K C -0.575 176.148 176.600 0.205 0.000 1.060 328 K CA 0.569 56.896 56.287 0.066 0.000 0.767 328 K CB -2.388 30.196 32.500 0.139 0.000 1.241 328 K HN 0.415 nan 8.250 nan 0.000 0.486 329 F N -0.169 119.916 119.950 0.226 0.000 2.406 329 F HA 0.208 4.735 4.527 0.000 0.000 0.327 329 F C 1.694 177.628 175.800 0.223 0.000 1.153 329 F CA -1.073 57.057 58.000 0.217 0.000 1.218 329 F CB 0.672 39.779 39.000 0.180 0.000 1.215 329 F HN -0.110 nan 8.300 nan 0.000 0.570 330 V N -0.494 119.675 119.914 0.425 0.000 2.850 330 V HA 0.563 4.683 4.120 0.001 0.000 0.315 330 V C -0.762 175.500 176.094 0.280 0.000 1.064 330 V CA -0.835 61.639 62.300 0.290 0.000 0.979 330 V CB 1.710 33.652 31.823 0.199 0.000 1.039 330 V HN 0.840 nan 8.190 nan 0.000 0.452 331 E N 1.645 121.957 120.200 0.188 0.000 2.246 331 E HA 0.411 4.761 4.350 0.001 0.000 0.266 331 E C -1.248 175.354 176.600 0.003 0.000 0.880 331 E CA -0.701 55.733 56.400 0.056 0.000 0.762 331 E CB 1.888 31.618 29.700 0.051 0.000 1.180 331 E HN 0.982 nan 8.360 nan 0.000 0.416 332 D N 2.172 122.545 120.400 -0.045 0.000 2.371 332 D HA -0.028 4.612 4.640 0.001 0.000 0.242 332 D C 0.930 177.206 176.300 -0.040 0.000 1.218 332 D CA -0.105 53.878 54.000 -0.028 0.000 0.945 332 D CB 1.003 41.784 40.800 -0.032 0.000 1.137 332 D HN 0.350 nan 8.370 nan 0.000 0.464 333 S N -0.936 114.752 115.700 -0.020 0.000 2.571 333 S HA -0.169 4.301 4.470 0.001 0.000 0.245 333 S C 0.665 175.247 174.600 -0.030 0.000 0.976 333 S CA 0.577 58.767 58.200 -0.017 0.000 0.954 333 S CB -0.715 62.482 63.200 -0.005 0.000 0.756 333 S HN 0.642 nan 8.310 nan 0.000 0.535 334 E N 0.024 120.193 120.200 -0.051 0.000 2.526 334 E HA 0.351 4.702 4.350 0.001 0.000 0.208 334 E C 1.177 177.719 176.600 -0.097 0.000 0.997 334 E CA 0.146 56.512 56.400 -0.058 0.000 0.961 334 E CB 0.410 30.081 29.700 -0.048 0.000 1.030 334 E HN 0.593 nan 8.360 nan 0.000 0.483 335 G N 2.464 111.172 108.800 -0.153 0.000 2.175 335 G HA2 -0.282 3.679 3.960 0.001 0.000 0.244 335 G HA3 -0.282 3.679 3.960 0.001 0.000 0.244 335 G C 0.312 174.920 174.900 -0.488 0.000 0.982 335 G CA 0.121 45.051 45.100 -0.283 0.000 0.641 335 G HN 0.108 nan 8.290 nan 0.000 0.527 336 K N 0.938 121.150 120.400 -0.314 0.000 2.339 336 K HA 0.560 4.880 4.320 0.001 0.000 0.286 336 K C -0.141 176.279 176.600 -0.300 0.000 1.050 336 K CA -0.389 55.741 56.287 -0.261 0.000 0.956 336 K CB -0.125 32.305 32.500 -0.118 0.000 0.990 336 K HN 0.269 nan 8.250 nan 0.000 0.475 337 Y N 1.974 122.268 120.300 -0.009 0.000 2.310 337 Y HA 0.353 4.903 4.550 0.001 0.000 0.326 337 Y C 0.631 176.460 175.900 -0.119 0.000 1.151 337 Y CA -0.153 57.930 58.100 -0.029 0.000 1.195 337 Y CB 1.655 40.096 38.460 -0.032 0.000 1.210 337 Y HN 0.711 nan 8.280 nan 0.000 0.483 338 S N 1.776 117.511 115.700 0.059 0.000 2.570 338 S HA 0.610 5.080 4.470 0.001 0.000 0.270 338 S C -1.253 173.347 174.600 0.000 0.000 1.149 338 S CA -1.017 57.156 58.200 -0.045 0.000 0.837 338 S CB 1.086 64.285 63.200 -0.001 0.000 1.124 338 S HN 0.552 nan 8.310 nan 0.000 0.465 339 I N 2.212 122.763 120.570 -0.032 0.000 2.416 339 I HA 0.216 4.387 4.170 0.001 0.000 0.288 339 I C -0.062 176.148 176.117 0.156 0.000 1.051 339 I CA -0.092 61.285 61.300 0.128 0.000 1.375 339 I CB 0.632 38.658 38.000 0.043 0.000 1.407 339 I HN 0.696 nan 8.210 nan 0.000 0.516 340 D N 6.607 127.158 120.400 0.252 0.000 2.347 340 D HA 0.101 4.742 4.640 0.001 0.000 0.235 340 D C 1.041 177.487 176.300 0.244 0.000 1.149 340 D CA -0.309 53.817 54.000 0.211 0.000 0.850 340 D CB 1.709 42.641 40.800 0.221 0.000 1.061 340 D HN 0.271 nan 8.370 nan 0.000 0.487 341 V N 4.665 124.691 119.914 0.187 0.000 2.278 341 V HA -0.313 3.807 4.120 0.001 0.000 0.251 341 V C 2.054 178.316 176.094 0.280 0.000 1.062 341 V CA 1.901 64.334 62.300 0.222 0.000 1.038 341 V CB -0.424 31.493 31.823 0.156 0.000 0.646 341 V HN 0.555 nan 8.190 nan 0.000 0.447 342 E N 0.797 121.126 120.200 0.214 0.000 2.077 342 E HA -0.163 4.187 4.350 0.001 0.000 0.193 342 E C 2.420 179.147 176.600 0.211 0.000 0.989 342 E CA 1.632 58.150 56.400 0.197 0.000 0.800 342 E CB -0.486 29.303 29.700 0.149 0.000 0.746 342 E HN 0.782 nan 8.360 nan 0.000 0.452 343 S N 0.031 115.865 115.700 0.224 0.000 2.406 343 S HA -0.140 4.330 4.470 0.001 0.000 0.228 343 S C 1.987 176.730 174.600 0.238 0.000 1.020 343 S CA 0.621 58.949 58.200 0.213 0.000 0.965 343 S CB -0.526 62.804 63.200 0.217 0.000 0.798 343 S HN 0.317 nan 8.310 nan 0.000 0.488 344 F N 2.882 122.942 119.950 0.183 0.000 2.134 344 F HA -0.028 4.500 4.527 0.000 0.000 0.299 344 F C 1.758 177.639 175.800 0.134 0.000 1.097 344 F CA 1.769 59.872 58.000 0.172 0.000 1.264 344 F CB -0.815 38.261 39.000 0.127 0.000 1.001 344 F HN 0.146 nan 8.300 nan 0.000 0.479 345 D N 0.238 120.724 120.400 0.143 0.000 2.092 345 D HA -0.223 4.418 4.640 0.001 0.000 0.193 345 D C 2.273 178.612 176.300 0.064 0.000 0.994 345 D CA 1.766 55.845 54.000 0.132 0.000 0.828 345 D CB -0.225 40.734 40.800 0.264 0.000 0.963 345 D HN 0.255 nan 8.370 nan 0.000 0.450 346 K N -0.227 120.229 120.400 0.094 0.000 2.057 346 K HA -0.148 4.172 4.320 0.001 0.000 0.207 346 K C 2.058 178.577 176.600 -0.134 0.000 1.049 346 K CA 0.733 57.072 56.287 0.086 0.000 0.931 346 K CB -0.194 32.399 32.500 0.155 0.000 0.714 346 K HN 0.076 nan 8.250 nan 0.000 0.440 347 L N 0.419 121.568 121.223 -0.124 0.000 2.027 347 L HA -0.171 4.170 4.340 0.001 0.000 0.206 347 L C 2.148 178.813 176.870 -0.341 0.000 1.074 347 L CA 1.662 56.387 54.840 -0.192 0.000 0.745 347 L CB -0.761 41.269 42.059 -0.048 0.000 0.898 347 L HN 0.249 nan 8.230 nan 0.000 0.433 348 Y N 0.545 120.500 120.300 -0.574 0.000 2.114 348 Y HA -0.273 4.278 4.550 0.000 0.000 0.284 348 Y C 2.416 177.984 175.900 -0.553 0.000 1.143 348 Y CA 2.215 59.920 58.100 -0.659 0.000 1.135 348 Y CB -0.158 37.754 38.460 -0.914 0.000 0.980 348 Y HN 0.167 nan 8.280 nan 0.000 0.499 349 K N -0.492 119.717 120.400 -0.318 0.000 2.097 349 K HA -0.134 4.187 4.320 0.001 0.000 0.206 349 K C 2.306 178.468 176.600 -0.731 0.000 1.049 349 K CA 1.406 57.513 56.287 -0.301 0.000 0.933 349 K CB -0.286 32.323 32.500 0.183 0.000 0.717 349 K HN 0.214 nan 8.250 nan 0.000 0.442 350 S N 1.672 116.740 115.700 -1.054 0.000 2.353 350 S HA -0.110 4.360 4.470 0.001 0.000 0.222 350 S C 1.994 176.259 174.600 -0.557 0.000 1.035 350 S CA 1.219 58.725 58.200 -1.156 0.000 1.025 350 S CB -0.265 62.443 63.200 -0.821 0.000 0.902 350 S HN 0.194 nan 8.310 nan 0.000 0.440 351 L N 0.417 121.366 121.223 -0.457 0.000 2.056 351 L HA -0.060 4.280 4.340 0.001 0.000 0.207 351 L C 2.460 179.155 176.870 -0.293 0.000 1.078 351 L CA 0.856 55.537 54.840 -0.264 0.000 0.749 351 L CB -0.419 41.417 42.059 -0.372 0.000 0.901 351 L HN 0.326 nan 8.230 nan 0.000 0.433 352 M N -1.531 117.579 119.600 -0.817 0.000 2.394 352 M HA 0.032 4.512 4.480 0.001 0.000 0.266 352 M C 1.698 177.445 176.300 -0.923 0.000 1.098 352 M CA 1.553 56.192 55.300 -1.100 0.000 1.149 352 M CB -0.425 30.953 32.600 -2.036 0.000 1.369 352 M HN 0.165 nan 8.290 nan 0.000 0.450 353 F N -1.874 117.890 119.950 -0.309 0.000 2.784 353 F HA 0.346 4.874 4.527 0.001 0.000 0.323 353 F C 2.098 177.839 175.800 -0.097 0.000 1.085 353 F CA -0.107 57.787 58.000 -0.177 0.000 1.196 353 F CB -0.352 38.568 39.000 -0.133 0.000 1.053 353 F HN 0.110 nan 8.300 nan 0.000 0.578 354 G N 0.623 109.362 108.800 -0.103 0.000 2.471 354 G HA2 -0.018 3.943 3.960 0.001 0.000 0.211 354 G HA3 -0.018 3.943 3.960 0.001 0.000 0.211 354 G C 0.186 174.927 174.900 -0.266 0.000 1.194 354 G CA 0.010 45.018 45.100 -0.153 0.000 0.816 354 G HN 0.136 nan 8.290 nan 0.000 0.545 355 F N 2.747 122.628 119.950 -0.114 0.000 2.509 355 F HA 0.409 4.936 4.527 0.000 0.000 0.350 355 F C 0.730 176.443 175.800 -0.145 0.000 1.220 355 F CA -0.291 57.629 58.000 -0.134 0.000 1.151 355 F CB 0.552 39.434 39.000 -0.197 0.000 1.379 355 F HN 0.018 nan 8.300 nan 0.000 0.610 356 T N -1.846 112.715 114.554 0.012 0.000 2.906 356 T HA 0.254 4.604 4.350 0.001 0.000 0.295 356 T C 0.812 175.442 174.700 -0.116 0.000 1.061 356 T CA -0.841 61.226 62.100 -0.055 0.000 1.000 356 T CB 1.962 70.812 68.868 -0.030 0.000 1.103 356 T HN 0.567 nan 8.240 nan 0.000 0.486 357 E N 1.542 121.630 120.200 -0.188 0.000 2.097 357 E HA -0.195 4.155 4.350 0.001 0.000 0.196 357 E C 1.570 177.998 176.600 -0.287 0.000 1.000 357 E CA 2.117 58.392 56.400 -0.208 0.000 0.804 357 E CB -0.559 29.039 29.700 -0.170 0.000 0.740 357 E HN 0.757 nan 8.360 nan 0.000 0.454 358 T N 0.935 115.243 114.554 -0.410 0.000 2.708 358 T HA -0.129 4.221 4.350 0.001 0.000 0.266 358 T C 1.595 176.209 174.700 -0.144 0.000 1.037 358 T CA 1.350 63.258 62.100 -0.320 0.000 1.146 358 T CB -0.343 68.346 68.868 -0.299 0.000 0.865 358 T HN 0.222 nan 8.240 nan 0.000 0.435 359 N N 1.092 119.735 118.700 -0.094 0.000 2.120 359 N HA 0.043 4.783 4.740 0.001 0.000 0.188 359 N C 1.904 177.418 175.510 0.006 0.000 1.024 359 N CA 0.882 53.910 53.050 -0.036 0.000 0.852 359 N CB -0.420 38.049 38.487 -0.031 0.000 1.003 359 N HN 0.392 nan 8.380 nan 0.000 0.424 360 I N 0.980 121.552 120.570 0.005 0.000 2.179 360 I HA -0.225 3.946 4.170 0.001 0.000 0.242 360 I C 2.313 178.497 176.117 0.111 0.000 1.088 360 I CA 0.930 62.275 61.300 0.075 0.000 1.357 360 I CB -0.393 37.588 38.000 -0.031 0.000 1.051 360 I HN 0.054 nan 8.210 nan 0.000 0.409 361 A N 0.372 123.193 122.820 0.001 0.000 1.883 361 A HA -0.264 4.057 4.320 0.001 0.000 0.217 361 A C 2.344 179.969 177.584 0.068 0.000 1.186 361 A CA 1.815 53.856 52.037 0.007 0.000 0.624 361 A CB -0.619 18.319 19.000 -0.103 0.000 0.822 361 A HN 0.383 nan 8.150 nan 0.000 0.444 362 E N 0.115 120.336 120.200 0.035 0.000 2.110 362 E HA -0.228 4.123 4.350 0.001 0.000 0.193 362 E C 1.839 178.490 176.600 0.085 0.000 0.988 362 E CA 1.628 58.063 56.400 0.059 0.000 0.804 362 E CB -0.342 29.372 29.700 0.023 0.000 0.745 362 E HN 0.665 nan 8.360 nan 0.000 0.458 363 N N -0.925 117.837 118.700 0.104 0.000 2.216 363 N HA -0.142 4.598 4.740 0.001 0.000 0.183 363 N C 1.147 176.668 175.510 0.019 0.000 1.017 363 N CA 0.902 53.991 53.050 0.065 0.000 0.861 363 N CB -0.139 38.400 38.487 0.087 0.000 0.986 363 N HN 0.087 nan 8.380 nan 0.000 0.428 364 Y N 0.575 120.889 120.300 0.023 0.000 2.461 364 Y HA 0.288 4.838 4.550 0.000 0.000 0.277 364 Y C 0.084 176.027 175.900 0.072 0.000 1.182 364 Y CA 0.031 58.151 58.100 0.034 0.000 1.276 364 Y CB 0.016 38.493 38.460 0.028 0.000 1.087 364 Y HN -0.095 nan 8.280 nan 0.000 0.519 365 K N 0.460 120.984 120.400 0.207 0.000 3.148 365 K HA -0.207 4.114 4.320 0.001 0.000 0.267 365 K C -0.775 176.061 176.600 0.392 0.000 0.996 365 K CA 0.446 56.901 56.287 0.280 0.000 0.737 365 K CB -1.866 30.732 32.500 0.163 0.000 1.308 365 K HN 0.317 nan 8.250 nan 0.000 0.470 366 I N 0.379 121.099 120.570 0.250 0.000 2.562 366 I HA 0.246 4.417 4.170 0.001 0.000 0.301 366 I C 0.309 176.302 176.117 -0.206 0.000 1.003 366 I CA -0.965 60.416 61.300 0.135 0.000 1.127 366 I CB 1.833 39.913 38.000 0.135 0.000 1.304 366 I HN 0.030 nan 8.210 nan 0.000 0.446 367 K N 3.033 123.196 120.400 -0.396 0.000 2.130 367 K HA 0.556 4.877 4.320 0.001 0.000 0.268 367 K C -0.661 175.834 176.600 -0.174 0.000 0.983 367 K CA -0.148 55.765 56.287 -0.624 0.000 0.893 367 K CB 1.619 33.620 32.500 -0.831 0.000 1.066 367 K HN 0.682 nan 8.250 nan 0.000 0.450 368 T N 1.073 115.388 114.554 -0.397 0.000 2.812 368 T HA 0.338 4.689 4.350 0.001 0.000 0.294 368 T C -1.279 172.674 174.700 -1.244 0.000 1.159 368 T CA -0.957 60.677 62.100 -0.776 0.000 1.008 368 T CB 0.775 69.422 68.868 -0.368 0.000 1.289 368 T HN 0.749 nan 8.240 nan 0.000 0.514 369 R N 1.431 121.145 120.500 -1.310 0.000 2.694 369 R HA 0.490 4.830 4.340 0.001 0.000 0.268 369 R C 1.125 177.327 176.300 -0.164 0.000 1.061 369 R CA 0.338 55.990 56.100 -0.747 0.000 1.133 369 R CB 0.070 30.100 30.300 -0.451 0.000 1.020 369 R HN 0.635 nan 8.270 nan 0.000 0.475 370 A N 1.645 124.412 122.820 -0.087 0.000 2.015 370 A HA -0.063 4.257 4.320 0.001 0.000 0.219 370 A C 0.978 178.620 177.584 0.097 0.000 1.163 370 A CA 1.465 53.519 52.037 0.028 0.000 0.646 370 A CB -0.066 18.945 19.000 0.017 0.000 0.806 370 A HN 0.862 nan 8.150 nan 0.000 0.448 371 S N -4.438 111.177 115.700 -0.142 0.000 2.567 371 S HA 0.370 4.841 4.470 0.001 0.000 0.270 371 S C 0.147 174.254 174.600 -0.821 0.000 1.152 371 S CA -0.134 57.834 58.200 -0.386 0.000 0.835 371 S CB 0.126 63.241 63.200 -0.142 0.000 1.115 371 S HN 0.431 nan 8.310 nan 0.000 0.459 372 Y N 2.688 122.298 120.300 -1.149 0.000 2.274 372 Y HA 0.194 4.744 4.550 -0.000 0.000 0.290 372 Y C 0.272 175.644 175.900 -0.880 0.000 1.145 372 Y CA 1.541 59.014 58.100 -1.046 0.000 1.203 372 Y CB -0.009 37.911 38.460 -0.900 0.000 0.984 372 Y HN 0.577 nan 8.280 nan 0.000 0.533 373 F N 1.803 121.520 119.950 -0.388 0.000 2.573 373 F HA 0.273 4.802 4.527 0.002 0.000 0.349 373 F C 0.110 175.581 175.800 -0.548 0.000 1.213 373 F CA -0.214 57.515 58.000 -0.451 0.000 1.300 373 F CB -0.187 38.568 39.000 -0.407 0.000 1.661 373 F HN -0.089 nan 8.300 nan 0.000 0.616 374 S N -0.913 114.552 115.700 -0.391 0.000 2.564 374 S HA 0.448 4.918 4.470 0.001 0.000 0.274 374 S C -1.197 173.353 174.600 -0.083 0.000 1.124 374 S CA -1.295 56.713 58.200 -0.319 0.000 0.869 374 S CB 1.909 64.967 63.200 -0.236 0.000 1.105 374 S HN 0.143 nan 8.310 nan 0.000 0.472 375 D N 2.623 123.122 120.400 0.165 0.000 2.383 375 D HA 0.276 4.917 4.640 0.001 0.000 0.252 375 D C 0.150 176.490 176.300 0.067 0.000 1.166 375 D CA 0.294 54.373 54.000 0.132 0.000 0.879 375 D CB 1.226 42.137 40.800 0.184 0.000 1.164 375 D HN 0.670 nan 8.370 nan 0.000 0.462 376 S N 2.217 117.929 115.700 0.019 0.000 2.489 376 S HA 0.448 4.919 4.470 0.001 0.000 0.277 376 S C 0.255 174.881 174.600 0.043 0.000 1.230 376 S CA -0.846 57.363 58.200 0.016 0.000 1.053 376 S CB 1.079 64.258 63.200 -0.034 0.000 0.955 376 S HN 0.299 nan 8.310 nan 0.000 0.488 377 L N 2.384 123.639 121.223 0.054 0.000 2.472 377 L HA 0.547 4.887 4.340 0.001 0.000 0.256 377 L C -2.178 174.713 176.870 0.035 0.000 1.111 377 L CA -2.762 52.105 54.840 0.045 0.000 0.800 377 L CB 0.344 42.424 42.059 0.034 0.000 1.286 377 L HN 0.408 nan 8.230 nan 0.000 0.479 378 P HA 0.131 nan 4.420 nan 0.000 0.271 378 P C -2.513 174.790 177.300 0.004 0.000 1.216 378 P CA -0.857 62.260 63.100 0.028 0.000 0.776 378 P CB 0.084 31.802 31.700 0.030 0.000 0.881 379 P HA 0.101 nan 4.420 nan 0.000 0.276 379 P C -0.854 176.405 177.300 -0.068 0.000 1.252 379 P CA -0.071 63.018 63.100 -0.019 0.000 0.802 379 P CB 0.778 32.485 31.700 0.011 0.000 1.035 380 V N -2.145 117.704 119.914 -0.110 0.000 3.074 380 V HA 0.615 4.735 4.120 0.001 0.000 0.314 380 V C -0.384 175.552 176.094 -0.264 0.000 1.117 380 V CA -1.205 60.998 62.300 -0.161 0.000 1.014 380 V CB 1.987 33.684 31.823 -0.209 0.000 1.057 380 V HN 0.467 nan 8.190 nan 0.000 0.438 381 K N 2.155 122.362 120.400 -0.321 0.000 2.213 381 K HA 0.534 4.855 4.320 0.001 0.000 0.270 381 K C -1.058 175.321 176.600 -0.369 0.000 1.002 381 K CA -0.821 55.130 56.287 -0.559 0.000 0.868 381 K CB 1.274 33.410 32.500 -0.608 0.000 1.093 381 K HN 0.695 nan 8.250 nan 0.000 0.454 382 I N 5.666 126.024 120.570 -0.354 0.000 2.337 382 I HA 0.040 4.211 4.170 0.001 0.000 0.291 382 I C 1.266 177.295 176.117 -0.146 0.000 1.046 382 I CA 0.094 61.273 61.300 -0.202 0.000 1.324 382 I CB 1.049 39.014 38.000 -0.058 0.000 1.409 382 I HN 0.760 nan 8.210 nan 0.000 0.494 383 K N 4.110 124.451 120.400 -0.099 0.000 1.987 383 K HA -0.194 4.127 4.320 0.001 0.000 0.216 383 K C 0.649 177.238 176.600 -0.018 0.000 1.051 383 K CA 1.652 57.904 56.287 -0.059 0.000 0.942 383 K CB -0.009 32.464 32.500 -0.044 0.000 0.722 383 K HN 0.440 nan 8.250 nan 0.000 0.444 384 N N -0.241 118.469 118.700 0.016 0.000 2.653 384 N HA 0.133 4.873 4.740 0.001 0.000 0.261 384 N C -0.029 175.498 175.510 0.029 0.000 1.216 384 N CA -0.067 52.997 53.050 0.024 0.000 0.784 384 N CB 0.721 39.229 38.487 0.035 0.000 1.327 384 N HN -0.032 nan 8.380 nan 0.000 0.539 385 L N 1.863 123.068 121.223 -0.031 0.000 2.265 385 L HA -0.014 4.326 4.340 0.001 0.000 0.215 385 L C 1.595 178.479 176.870 0.022 0.000 1.117 385 L CA 0.994 55.763 54.840 -0.118 0.000 0.782 385 L CB -0.045 41.846 42.059 -0.280 0.000 0.914 385 L HN 0.536 nan 8.230 nan 0.000 0.441 386 L N -0.977 120.265 121.223 0.032 0.000 2.552 386 L HA -0.026 4.315 4.340 0.001 0.000 0.227 386 L C 0.607 177.514 176.870 0.061 0.000 1.146 386 L CA 0.070 54.941 54.840 0.052 0.000 0.858 386 L CB -0.337 41.745 42.059 0.038 0.000 0.969 386 L HN 0.144 nan 8.230 nan 0.000 0.451 387 D N 0.469 120.910 120.400 0.068 0.000 2.380 387 D HA 0.005 4.645 4.640 0.001 0.000 0.230 387 D C 0.803 177.153 176.300 0.083 0.000 1.154 387 D CA -0.075 53.966 54.000 0.069 0.000 0.859 387 D CB 0.586 41.427 40.800 0.069 0.000 1.045 387 D HN -0.021 nan 8.370 nan 0.000 0.495 388 N N 2.769 121.507 118.700 0.063 0.000 2.585 388 N HA -0.179 4.561 4.740 0.001 0.000 0.188 388 N C 1.127 176.670 175.510 0.054 0.000 1.102 388 N CA 0.420 53.501 53.050 0.051 0.000 0.920 388 N CB 0.309 38.814 38.487 0.030 0.000 0.963 388 N HN 0.549 nan 8.380 nan 0.000 0.447 389 E N 0.453 120.694 120.200 0.068 0.000 2.385 389 E HA 0.049 4.400 4.350 0.001 0.000 0.194 389 E C 1.476 178.144 176.600 0.114 0.000 1.013 389 E CA 0.533 56.977 56.400 0.075 0.000 0.866 389 E CB 0.155 29.895 29.700 0.065 0.000 0.832 389 E HN 0.151 nan 8.360 nan 0.000 0.500 390 I N -0.832 119.825 120.570 0.144 0.000 3.300 390 I HA 0.133 4.304 4.170 0.001 0.000 0.279 390 I C -0.166 176.109 176.117 0.264 0.000 1.172 390 I CA 0.357 61.800 61.300 0.239 0.000 1.431 390 I CB -0.065 38.085 38.000 0.250 0.000 1.240 390 I HN -0.005 nan 8.210 nan 0.000 0.453 391 Y N 1.918 122.191 120.300 -0.045 0.000 2.361 391 Y HA 0.401 4.951 4.550 0.000 0.000 0.328 391 Y C -0.030 175.798 175.900 -0.119 0.000 1.044 391 Y CA -1.013 56.951 58.100 -0.227 0.000 1.085 391 Y CB 1.313 39.505 38.460 -0.446 0.000 1.194 391 Y HN 0.030 nan 8.280 nan 0.000 0.438 392 T N 2.512 116.816 114.554 -0.416 0.000 2.940 392 T HA 0.439 4.789 4.350 0.001 0.000 0.288 392 T C 1.092 175.573 174.700 -0.366 0.000 1.033 392 T CA -0.714 61.230 62.100 -0.260 0.000 1.033 392 T CB 1.449 70.234 68.868 -0.137 0.000 1.079 392 T HN 0.664 nan 8.240 nan 0.000 0.496 393 I N 0.605 121.081 120.570 -0.158 0.000 2.163 393 I HA -0.163 4.008 4.170 0.001 0.000 0.243 393 I C 2.465 178.528 176.117 -0.090 0.000 1.085 393 I CA 1.538 62.782 61.300 -0.093 0.000 1.347 393 I CB -0.256 37.732 38.000 -0.020 0.000 1.044 393 I HN 0.718 nan 8.210 nan 0.000 0.408 394 E N 0.610 120.761 120.200 -0.082 0.000 2.072 394 E HA -0.174 4.176 4.350 0.001 0.000 0.191 394 E C 1.572 178.133 176.600 -0.065 0.000 0.985 394 E CA 1.189 57.554 56.400 -0.058 0.000 0.801 394 E CB -0.009 29.661 29.700 -0.049 0.000 0.750 394 E HN 0.510 nan 8.360 nan 0.000 0.452 395 E N -1.061 119.070 120.200 -0.114 0.000 2.601 395 E HA 0.265 4.616 4.350 0.001 0.000 0.219 395 E C 0.798 177.307 176.600 -0.152 0.000 0.964 395 E CA 0.116 56.465 56.400 -0.085 0.000 1.050 395 E CB 1.133 30.806 29.700 -0.044 0.000 1.068 395 E HN 0.211 nan 8.360 nan 0.000 0.496 396 G N 1.720 110.251 108.800 -0.448 0.000 2.556 396 G HA2 -0.379 3.582 3.960 0.001 0.000 0.283 396 G HA3 -0.379 3.582 3.960 0.001 0.000 0.283 396 G C 0.452 175.047 174.900 -0.508 0.000 1.177 396 G CA 0.442 45.021 45.100 -0.868 0.000 0.978 396 G HN 0.248 nan 8.290 nan 0.000 0.554 397 F N 1.674 121.693 119.950 0.115 0.000 2.512 397 F HA 0.196 4.724 4.527 0.001 0.000 0.296 397 F C 1.825 177.714 175.800 0.148 0.000 1.110 397 F CA 0.694 58.848 58.000 0.256 0.000 1.446 397 F CB 0.094 39.341 39.000 0.411 0.000 1.092 397 F HN 0.126 nan 8.300 nan 0.000 0.554 398 N N 1.978 120.838 118.700 0.266 0.000 3.254 398 N HA 0.146 4.886 4.740 0.001 0.000 0.308 398 N C -0.324 175.243 175.510 0.096 0.000 1.281 398 N CA 0.213 53.370 53.050 0.178 0.000 1.212 398 N CB -0.363 38.232 38.487 0.180 0.000 1.478 398 N HN 0.216 nan 8.380 nan 0.000 0.548 399 I N 0.772 121.400 120.570 0.095 0.000 2.533 399 I HA -0.063 4.107 4.170 0.001 0.000 0.284 399 I C 1.633 177.776 176.117 0.044 0.000 1.109 399 I CA -0.128 61.203 61.300 0.052 0.000 1.412 399 I CB 0.703 38.739 38.000 0.059 0.000 1.396 399 I HN 0.230 nan 8.210 nan 0.000 0.543 400 S N 2.704 118.417 115.700 0.022 0.000 2.428 400 S HA -0.129 4.341 4.470 0.001 0.000 0.230 400 S C 1.238 175.848 174.600 0.017 0.000 1.014 400 S CA 0.533 58.742 58.200 0.014 0.000 0.957 400 S CB -0.117 63.084 63.200 0.001 0.000 0.784 400 S HN 0.645 nan 8.310 nan 0.000 0.499 401 D N 1.920 122.331 120.400 0.018 0.000 2.310 401 D HA 0.007 4.647 4.640 0.001 0.000 0.212 401 D C 1.313 177.630 176.300 0.027 0.000 0.965 401 D CA 0.879 54.890 54.000 0.019 0.000 0.879 401 D CB -0.029 40.782 40.800 0.017 0.000 0.921 401 D HN 0.552 nan 8.370 nan 0.000 0.510 402 K N 0.413 120.836 120.400 0.038 0.000 2.373 402 K HA 0.018 4.339 4.320 0.001 0.000 0.202 402 K C -0.245 176.382 176.600 0.045 0.000 1.025 402 K CA -0.174 56.142 56.287 0.048 0.000 1.115 402 K CB 0.890 33.432 32.500 0.070 0.000 0.858 402 K HN -0.157 nan 8.250 nan 0.000 0.525 403 D N 1.022 121.442 120.400 0.034 0.000 2.689 403 D HA -0.184 4.457 4.640 0.001 0.000 0.237 403 D C 0.091 176.413 176.300 0.036 0.000 1.148 403 D CA 0.785 54.801 54.000 0.027 0.000 0.656 403 D CB -0.554 40.260 40.800 0.023 0.000 1.050 403 D HN 0.221 nan 8.370 nan 0.000 0.426 404 M N -0.669 118.959 119.600 0.047 0.000 2.504 404 M HA 0.088 4.568 4.480 0.001 0.000 0.370 404 M C 1.490 177.823 176.300 0.055 0.000 1.110 404 M CA -0.352 54.988 55.300 0.066 0.000 0.938 404 M CB 0.786 33.450 32.600 0.108 0.000 1.460 404 M HN 0.090 nan 8.290 nan 0.000 0.535 405 E N 2.101 122.312 120.200 0.019 0.000 2.060 405 E HA 0.036 4.387 4.350 0.001 0.000 0.189 405 E C 0.213 176.762 176.600 -0.085 0.000 0.974 405 E CA 0.751 57.145 56.400 -0.010 0.000 0.808 405 E CB 0.422 30.112 29.700 -0.017 0.000 0.768 405 E HN 0.383 nan 8.360 nan 0.000 0.453 406 K N 1.324 121.678 120.400 -0.076 0.000 2.448 406 K HA -0.037 4.283 4.320 0.001 0.000 0.278 406 K C -0.027 176.487 176.600 -0.143 0.000 1.009 406 K CA 0.425 56.641 56.287 -0.118 0.000 0.995 406 K CB 0.263 32.728 32.500 -0.059 0.000 0.917 406 K HN 0.102 nan 8.250 nan 0.000 0.481 407 E N 1.631 121.673 120.200 -0.263 0.000 2.660 407 E HA -0.283 4.067 4.350 0.001 0.000 0.260 407 E C -1.008 175.558 176.600 -0.058 0.000 1.122 407 E CA 0.733 57.011 56.400 -0.204 0.000 0.755 407 E CB -1.834 27.868 29.700 0.004 0.000 1.345 407 E HN 0.700 nan 8.360 nan 0.000 0.421 408 Y N -2.852 117.499 120.300 0.086 0.000 3.491 408 Y HA -0.352 4.198 4.550 0.001 0.000 0.215 408 Y C 1.652 177.641 175.900 0.148 0.000 1.219 408 Y CA 1.002 59.166 58.100 0.107 0.000 1.485 408 Y CB -1.951 36.548 38.460 0.065 0.000 1.450 408 Y HN 0.228 nan 8.280 nan 0.000 0.603 409 R N 0.221 120.820 120.500 0.165 0.000 2.105 409 R HA -0.159 4.181 4.340 0.001 0.000 0.239 409 R C 2.481 178.824 176.300 0.070 0.000 1.135 409 R CA 1.381 57.545 56.100 0.107 0.000 0.967 409 R CB -0.573 29.768 30.300 0.069 0.000 0.861 409 R HN 0.631 nan 8.270 nan 0.000 0.442 410 G N 0.171 109.042 108.800 0.118 0.000 2.501 410 G HA2 -0.254 3.707 3.960 0.001 0.000 0.220 410 G HA3 -0.254 3.707 3.960 0.001 0.000 0.220 410 G C 1.084 175.937 174.900 -0.078 0.000 1.114 410 G CA 0.408 45.604 45.100 0.159 0.000 0.757 410 G HN 0.388 nan 8.290 nan 0.000 0.559 411 Q N -0.564 119.055 119.800 -0.303 0.000 2.247 411 Q HA 0.119 4.459 4.340 0.001 0.000 0.211 411 Q C 0.281 175.656 176.000 -1.040 0.000 0.861 411 Q CA -0.499 54.621 55.803 -1.138 0.000 0.949 411 Q CB 0.440 28.903 28.738 -0.458 0.000 1.115 411 Q HN 0.210 nan 8.270 nan 0.000 0.507 412 N N 1.829 120.213 118.700 -0.527 0.000 2.420 412 N HA 0.000 4.741 4.740 0.001 0.000 0.262 412 N C 0.401 175.682 175.510 -0.382 0.000 1.144 412 N CA 0.376 53.002 53.050 -0.706 0.000 0.952 412 N CB 0.800 39.036 38.487 -0.419 0.000 1.081 412 N HN 0.118 nan 8.380 nan 0.000 0.480 413 K N 2.381 122.537 120.400 -0.407 0.000 2.103 413 K HA -0.110 4.211 4.320 0.001 0.000 0.207 413 K C 1.360 178.028 176.600 0.114 0.000 1.048 413 K CA 1.424 57.651 56.287 -0.101 0.000 0.930 413 K CB 0.062 32.394 32.500 -0.280 0.000 0.716 413 K HN 0.556 nan 8.250 nan 0.000 0.444 414 A N 0.403 123.195 122.820 -0.048 0.000 2.235 414 A HA 0.046 4.367 4.320 0.001 0.000 0.208 414 A C 1.627 179.226 177.584 0.025 0.000 1.172 414 A CA 0.765 52.808 52.037 0.010 0.000 0.786 414 A CB -0.294 18.689 19.000 -0.028 0.000 0.804 414 A HN 0.187 nan 8.150 nan 0.000 0.479 415 I N -2.361 118.227 120.570 0.030 0.000 3.739 415 I HA 0.096 4.266 4.170 0.001 0.000 0.272 415 I C 0.595 176.773 176.117 0.103 0.000 1.167 415 I CA -0.026 61.302 61.300 0.047 0.000 1.386 415 I CB 0.128 38.137 38.000 0.015 0.000 1.490 415 I HN 0.091 nan 8.210 nan 0.000 0.452 416 N N 2.282 121.084 118.700 0.170 0.000 3.259 416 N HA 0.041 4.782 4.740 0.001 0.000 0.308 416 N C 0.990 176.671 175.510 0.285 0.000 1.334 416 N CA 0.198 53.394 53.050 0.244 0.000 1.202 416 N CB 0.177 38.859 38.487 0.325 0.000 1.485 416 N HN 0.052 nan 8.380 nan 0.000 0.549 417 K N 0.148 120.620 120.400 0.120 0.000 2.152 417 K HA -0.159 4.162 4.320 0.001 0.000 0.206 417 K C 1.482 177.923 176.600 -0.265 0.000 1.048 417 K CA 0.984 57.188 56.287 -0.137 0.000 0.933 417 K CB 0.023 32.460 32.500 -0.104 0.000 0.721 417 K HN 0.609 nan 8.250 nan 0.000 0.447 418 Q N -0.198 119.555 119.800 -0.079 0.000 2.482 418 Q HA 0.067 4.408 4.340 0.001 0.000 0.209 418 Q C 1.142 177.121 176.000 -0.035 0.000 0.961 418 Q CA 0.879 56.642 55.803 -0.067 0.000 0.945 418 Q CB 0.064 28.804 28.738 0.002 0.000 1.012 418 Q HN 0.161 nan 8.270 nan 0.000 0.515 419 A N -0.066 122.747 122.820 -0.011 0.000 2.303 419 A HA 0.341 4.661 4.320 0.001 0.000 0.217 419 A C 0.144 177.644 177.584 -0.139 0.000 1.205 419 A CA -0.030 52.030 52.037 0.039 0.000 0.875 419 A CB 0.087 19.209 19.000 0.204 0.000 0.910 419 A HN 0.519 nan 8.150 nan 0.000 0.501 420 Y N -3.329 116.778 120.300 -0.321 0.000 2.670 420 Y HA 0.777 5.328 4.550 0.001 0.000 0.334 420 Y C -1.172 174.584 175.900 -0.240 0.000 1.185 420 Y CA -1.486 56.375 58.100 -0.399 0.000 1.053 420 Y CB 0.714 38.767 38.460 -0.678 0.000 1.298 420 Y HN -0.014 nan 8.280 nan 0.000 0.459 421 E N 1.318 121.450 120.200 -0.114 0.000 2.256 421 E HA 0.237 4.587 4.350 0.001 0.000 0.268 421 E C -1.131 175.478 176.600 0.014 0.000 0.877 421 E CA -1.148 55.181 56.400 -0.119 0.000 0.757 421 E CB 2.243 31.874 29.700 -0.114 0.000 1.183 421 E HN 0.521 nan 8.360 nan 0.000 0.418 422 E N 1.578 121.800 120.200 0.036 0.000 2.410 422 E HA 0.221 4.572 4.350 0.001 0.000 0.255 422 E C 0.030 176.619 176.600 -0.017 0.000 1.194 422 E CA 0.176 56.602 56.400 0.044 0.000 0.955 422 E CB 0.893 30.623 29.700 0.049 0.000 0.988 422 E HN 0.413 nan 8.360 nan 0.000 0.461 423 I N 0.410 120.959 120.570 -0.035 0.000 2.607 423 I HA 0.036 4.207 4.170 0.001 0.000 0.305 423 I C 0.650 176.769 176.117 0.002 0.000 0.995 423 I CA -0.618 60.645 61.300 -0.061 0.000 1.148 423 I CB 1.700 39.584 38.000 -0.194 0.000 1.323 423 I HN 0.246 nan 8.210 nan 0.000 0.461 424 S N 4.644 120.362 115.700 0.030 0.000 2.457 424 S HA 0.026 4.496 4.470 0.001 0.000 0.294 424 S C 1.213 175.807 174.600 -0.010 0.000 1.201 424 S CA -0.410 57.760 58.200 -0.051 0.000 1.112 424 S CB 0.083 63.128 63.200 -0.258 0.000 1.018 424 S HN 0.437 nan 8.310 nan 0.000 0.511 425 K N 4.121 124.523 120.400 0.003 0.000 2.286 425 K HA -0.139 4.181 4.320 0.001 0.000 0.203 425 K C 1.448 178.069 176.600 0.035 0.000 1.045 425 K CA 1.362 57.673 56.287 0.040 0.000 0.935 425 K CB -0.131 32.383 32.500 0.024 0.000 0.737 425 K HN 0.759 nan 8.250 nan 0.000 0.460 426 E N -0.505 119.665 120.200 -0.050 0.000 2.338 426 E HA -0.123 4.227 4.350 0.001 0.000 0.197 426 E C 1.054 177.708 176.600 0.090 0.000 1.007 426 E CA 0.683 57.059 56.400 -0.040 0.000 0.849 426 E CB -0.084 29.543 29.700 -0.122 0.000 0.774 426 E HN 0.623 nan 8.360 nan 0.000 0.506 427 H N -0.823 118.329 119.070 0.138 0.000 2.652 427 H HA 0.219 4.775 4.556 0.001 0.000 0.274 427 H C 0.240 175.685 175.328 0.194 0.000 1.021 427 H CA -0.594 55.525 56.048 0.118 0.000 1.187 427 H CB 0.710 30.547 29.762 0.124 0.000 1.505 427 H HN -0.060 nan 8.280 nan 0.000 0.530 428 L N 1.460 122.869 121.223 0.310 0.000 2.334 428 L HA 0.566 4.906 4.340 0.001 0.000 0.277 428 L C -0.076 176.909 176.870 0.192 0.000 1.075 428 L CA -0.844 54.161 54.840 0.275 0.000 0.804 428 L CB 1.345 43.529 42.059 0.208 0.000 1.174 428 L HN 0.092 nan 8.230 nan 0.000 0.438 429 A N 3.385 126.332 122.820 0.212 0.000 2.381 429 A HA 0.781 5.101 4.320 0.001 0.000 0.299 429 A C -1.122 176.552 177.584 0.151 0.000 1.049 429 A CA -0.448 51.679 52.037 0.151 0.000 0.715 429 A CB 1.654 20.743 19.000 0.149 0.000 1.222 429 A HN 0.375 nan 8.150 nan 0.000 0.428 430 V N 2.208 122.191 119.914 0.114 0.000 2.638 430 V HA 0.298 4.418 4.120 0.001 0.000 0.306 430 V C -0.795 175.380 176.094 0.135 0.000 1.052 430 V CA -0.723 61.650 62.300 0.122 0.000 0.885 430 V CB 1.624 33.500 31.823 0.089 0.000 0.999 430 V HN 0.842 nan 8.190 nan 0.000 0.424 431 Y N 4.736 125.051 120.300 0.025 0.000 2.544 431 Y HA 0.340 4.890 4.550 0.000 0.000 0.330 431 Y C 0.270 176.170 175.900 -0.000 0.000 1.136 431 Y CA 0.084 58.189 58.100 0.008 0.000 1.417 431 Y CB 0.291 38.759 38.460 0.013 0.000 1.229 431 Y HN 0.590 nan 8.280 nan 0.000 0.532 432 K N 6.741 126.858 120.400 -0.472 0.000 2.316 432 K HA 0.489 4.809 4.320 0.001 0.000 0.251 432 K C -1.419 174.825 176.600 -0.593 0.000 0.934 432 K CA -1.010 55.020 56.287 -0.429 0.000 0.802 432 K CB 1.938 34.311 32.500 -0.212 0.000 1.171 432 K HN 0.449 nan 8.250 nan 0.000 0.426 433 I N 2.777 123.087 120.570 -0.433 0.000 2.307 433 I HA 0.148 4.319 4.170 0.001 0.000 0.289 433 I C 0.009 175.969 176.117 -0.263 0.000 1.021 433 I CA -0.262 60.828 61.300 -0.351 0.000 1.224 433 I CB 1.080 38.913 38.000 -0.278 0.000 1.376 433 I HN 0.628 nan 8.210 nan 0.000 0.470 434 Q N 6.991 126.642 119.800 -0.248 0.000 2.337 434 Q HA 0.353 4.693 4.340 0.001 0.000 0.255 434 Q C -0.795 175.042 176.000 -0.270 0.000 0.997 434 Q CA -0.333 55.327 55.803 -0.238 0.000 0.925 434 Q CB 0.756 29.358 28.738 -0.225 0.000 1.212 434 Q HN 0.537 nan 8.270 nan 0.000 0.436 435 M N 4.030 123.479 119.600 -0.252 0.000 2.151 435 M HA 0.273 4.753 4.480 0.001 0.000 0.349 435 M C -1.023 175.105 176.300 -0.287 0.000 1.284 435 M CA -0.504 54.640 55.300 -0.260 0.000 1.173 435 M CB 0.508 33.001 32.600 -0.179 0.000 1.469 435 M HN 0.562 nan 8.290 nan 0.000 0.439 436 C N 2.945 122.006 119.300 -0.398 0.000 2.358 436 C HA 0.462 4.922 4.460 0.001 0.000 0.342 436 C C 0.449 175.337 174.990 -0.170 0.000 1.234 436 C CA -1.187 57.607 59.018 -0.374 0.000 1.969 436 C CB 1.010 28.321 27.740 -0.714 0.000 2.346 436 C HN 0.710 nan 8.230 nan 0.000 0.525 437 K N 1.465 121.844 120.400 -0.035 0.000 2.205 437 K HA 0.277 4.598 4.320 0.001 0.000 0.279 437 K C 0.416 177.122 176.600 0.177 0.000 1.027 437 K CA 0.117 56.439 56.287 0.058 0.000 0.932 437 K CB 0.923 33.440 32.500 0.029 0.000 1.032 437 K HN 0.817 nan 8.250 nan 0.000 0.466 438 S N 1.395 117.204 115.700 0.182 0.000 3.944 438 S HA 0.144 4.614 4.470 0.001 0.000 0.215 438 S C 0.164 174.804 174.600 0.067 0.000 1.220 438 S CA -0.576 57.702 58.200 0.131 0.000 0.950 438 S CB -0.772 62.444 63.200 0.027 0.000 1.615 438 S HN 0.301 nan 8.310 nan 0.000 0.466 444 I N -0.249 120.302 120.570 -0.031 0.000 2.472 444 I HA 0.726 4.897 4.170 0.001 0.000 0.290 444 I C -0.208 175.849 176.117 -0.100 0.000 1.016 444 I CA -0.833 60.435 61.300 -0.054 0.000 1.348 444 I CB 1.001 38.977 38.000 -0.038 0.000 1.417 444 I HN 0.543 nan 8.210 nan 0.000 0.521 445 C N 7.329 126.545 119.300 -0.141 0.000 2.547 445 C HA 0.620 5.081 4.460 0.001 0.000 0.313 445 C C -0.306 174.511 174.990 -0.289 0.000 1.191 445 C CA -0.916 57.980 59.018 -0.204 0.000 1.474 445 C CB 0.701 28.331 27.740 -0.184 0.000 2.081 445 C HN 0.577 nan 8.230 nan 0.000 0.476 446 I N 2.488 122.853 120.570 -0.341 0.000 2.465 446 I HA 0.332 4.502 4.170 0.001 0.000 0.291 446 I C -0.855 175.098 176.117 -0.274 0.000 1.014 446 I CA -0.157 60.864 61.300 -0.465 0.000 1.093 446 I CB 1.611 39.257 38.000 -0.590 0.000 1.267 446 I HN 0.518 nan 8.210 nan 0.000 0.431 447 D N 5.470 125.744 120.400 -0.210 0.000 2.225 447 D HA 0.489 5.130 4.640 0.001 0.000 0.248 447 D C -0.670 175.575 176.300 -0.091 0.000 1.096 447 D CA -0.015 53.899 54.000 -0.144 0.000 0.863 447 D CB 2.277 43.015 40.800 -0.103 0.000 1.156 447 D HN 0.038 nan 8.370 nan 0.000 0.450 448 V N 2.655 122.499 119.914 -0.116 0.000 2.577 448 V HA 0.170 4.291 4.120 0.001 0.000 0.303 448 V C -0.356 175.679 176.094 -0.097 0.000 1.042 448 V CA -1.049 61.208 62.300 -0.072 0.000 0.872 448 V CB 2.216 33.941 31.823 -0.162 0.000 0.998 448 V HN 0.371 nan 8.190 nan 0.000 0.423 449 D N 2.950 123.337 120.400 -0.022 0.000 2.390 449 D HA 0.035 4.675 4.640 0.001 0.000 0.249 449 D C 1.125 177.422 176.300 -0.004 0.000 1.144 449 D CA 0.295 54.286 54.000 -0.016 0.000 0.880 449 D CB 0.952 41.776 40.800 0.040 0.000 1.182 449 D HN 0.654 nan 8.370 nan 0.000 0.451 450 N N 2.196 120.891 118.700 -0.008 0.000 2.184 450 N HA -0.237 4.503 4.740 0.001 0.000 0.190 450 N C 1.050 176.633 175.510 0.121 0.000 1.011 450 N CA 1.479 54.576 53.050 0.078 0.000 0.867 450 N CB 0.214 38.884 38.487 0.305 0.000 0.993 450 N HN 0.311 nan 8.380 nan 0.000 0.433 451 E N -0.207 120.061 120.200 0.114 0.000 2.204 451 E HA -0.121 4.230 4.350 0.001 0.000 0.195 451 E C 1.001 177.671 176.600 0.116 0.000 0.990 451 E CA 1.149 57.615 56.400 0.109 0.000 0.821 451 E CB -0.098 29.652 29.700 0.083 0.000 0.750 451 E HN 0.498 nan 8.360 nan 0.000 0.477 452 D N -0.344 120.120 120.400 0.107 0.000 2.323 452 D HA 0.007 4.647 4.640 0.001 0.000 0.209 452 D C 0.634 177.020 176.300 0.143 0.000 0.973 452 D CA 0.242 54.313 54.000 0.120 0.000 0.874 452 D CB 0.081 40.971 40.800 0.151 0.000 0.930 452 D HN 0.148 nan 8.370 nan 0.000 0.521 453 L N -0.107 121.210 121.223 0.157 0.000 2.456 453 L HA 0.107 4.448 4.340 0.001 0.000 0.246 453 L C 0.250 177.222 176.870 0.170 0.000 1.238 453 L CA -0.287 54.693 54.840 0.233 0.000 0.826 453 L CB -0.014 42.148 42.059 0.171 0.000 1.150 453 L HN -0.157 nan 8.230 nan 0.000 0.514 454 F N 0.320 120.450 119.950 0.300 0.000 2.424 454 F HA 0.193 4.725 4.527 0.009 0.000 0.356 454 F C 0.186 176.097 175.800 0.185 0.000 1.110 454 F CA -0.143 57.998 58.000 0.235 0.000 1.161 454 F CB 0.276 39.398 39.000 0.204 0.000 1.115 454 F HN 0.092 nan 8.300 nan 0.000 0.507 455 F N 5.723 125.827 119.950 0.256 0.000 2.421 455 F HA 0.540 5.068 4.527 0.000 0.000 0.358 455 F C -0.492 175.386 175.800 0.131 0.000 1.115 455 F CA -0.535 57.578 58.000 0.188 0.000 1.160 455 F CB 0.093 39.229 39.000 0.227 0.000 1.123 455 F HN 0.257 nan 8.300 nan 0.000 0.508 456 I N 7.097 127.435 120.570 -0.386 0.000 2.448 456 I HA 0.338 4.509 4.170 0.001 0.000 0.281 456 I C -0.053 175.842 176.117 -0.369 0.000 1.027 456 I CA -0.900 60.277 61.300 -0.206 0.000 1.111 456 I CB 1.329 39.245 38.000 -0.140 0.000 1.236 456 I HN 0.728 nan 8.210 nan 0.000 0.452 457 A N 5.075 127.807 122.820 -0.147 0.000 2.540 457 A HA 0.028 4.348 4.320 0.001 0.000 0.239 457 A C 0.200 177.802 177.584 0.029 0.000 1.061 457 A CA 0.161 52.180 52.037 -0.031 0.000 0.758 457 A CB 0.170 19.334 19.000 0.272 0.000 0.991 457 A HN 0.761 nan 8.150 nan 0.000 0.502 458 D N 1.194 121.557 120.400 -0.062 0.000 2.357 458 D HA 0.032 4.672 4.640 0.001 0.000 0.242 458 D C 1.080 177.433 176.300 0.088 0.000 1.153 458 D CA -0.128 53.866 54.000 -0.010 0.000 0.918 458 D CB 0.755 41.513 40.800 -0.070 0.000 1.181 458 D HN 0.624 nan 8.370 nan 0.000 0.435 459 K N 1.635 122.135 120.400 0.167 0.000 2.152 459 K HA -0.145 4.175 4.320 0.001 0.000 0.206 459 K C 1.308 177.992 176.600 0.140 0.000 1.048 459 K CA 0.936 57.388 56.287 0.275 0.000 0.933 459 K CB 0.086 32.699 32.500 0.189 0.000 0.721 459 K HN 0.360 nan 8.250 nan 0.000 0.447 460 N N 0.506 119.208 118.700 0.004 0.000 2.585 460 N HA -0.084 4.657 4.740 0.001 0.000 0.188 460 N C 1.195 176.593 175.510 -0.187 0.000 1.102 460 N CA 0.759 53.776 53.050 -0.054 0.000 0.920 460 N CB 0.025 38.484 38.487 -0.046 0.000 0.963 460 N HN 0.123 nan 8.380 nan 0.000 0.447 461 S N -0.022 115.405 115.700 -0.455 0.000 2.453 461 S HA 0.064 4.535 4.470 0.001 0.000 0.231 461 S C 0.334 174.436 174.600 -0.831 0.000 1.005 461 S CA 0.477 58.236 58.200 -0.736 0.000 0.949 461 S CB 0.000 62.567 63.200 -1.055 0.000 0.774 461 S HN 0.199 nan 8.310 nan 0.000 0.510 462 F N 1.128 121.102 119.950 0.040 0.000 2.450 462 F HA 0.499 5.026 4.527 0.000 0.000 0.332 462 F C 0.640 176.458 175.800 0.029 0.000 1.093 462 F CA -1.086 56.937 58.000 0.038 0.000 1.003 462 F CB 0.926 39.948 39.000 0.036 0.000 1.151 462 F HN -0.205 nan 8.300 nan 0.000 0.474 463 S N 0.543 116.350 115.700 0.179 0.000 2.562 463 S HA 0.018 4.488 4.470 0.001 0.000 0.281 463 S C 0.283 174.943 174.600 0.099 0.000 1.333 463 S CA -0.328 57.936 58.200 0.107 0.000 1.052 463 S CB 0.425 63.680 63.200 0.091 0.000 0.884 463 S HN 0.743 nan 8.310 nan 0.000 0.506 464 D N 1.737 122.176 120.400 0.064 0.000 2.463 464 D HA 0.221 4.861 4.640 0.001 0.000 0.224 464 D C 0.438 176.753 176.300 0.025 0.000 1.174 464 D CA -0.154 53.872 54.000 0.045 0.000 0.829 464 D CB 0.076 40.901 40.800 0.041 0.000 0.993 464 D HN 0.486 nan 8.370 nan 0.000 0.497 465 D N -0.021 120.395 120.400 0.026 0.000 2.263 465 D HA -0.109 4.531 4.640 0.001 0.000 0.208 465 D C 1.990 178.287 176.300 -0.005 0.000 0.971 465 D CA 0.511 54.518 54.000 0.012 0.000 0.867 465 D CB 0.132 40.942 40.800 0.016 0.000 0.929 465 D HN 0.387 nan 8.370 nan 0.000 0.492 466 L N 0.784 121.997 121.223 -0.018 0.000 2.265 466 L HA -0.147 4.193 4.340 0.001 0.000 0.215 466 L C 2.345 179.185 176.870 -0.050 0.000 1.117 466 L CA 1.059 55.867 54.840 -0.054 0.000 0.782 466 L CB -0.370 41.638 42.059 -0.085 0.000 0.914 466 L HN 0.071 nan 8.230 nan 0.000 0.441 467 S N -1.281 114.406 115.700 -0.022 0.000 2.481 467 S HA -0.053 4.417 4.470 0.001 0.000 0.231 467 S C 0.929 175.538 174.600 0.016 0.000 0.996 467 S CA 0.160 58.357 58.200 -0.005 0.000 0.942 467 S CB -0.191 63.012 63.200 0.004 0.000 0.768 467 S HN 0.281 nan 8.310 nan 0.000 0.520 468 K N 2.225 122.634 120.400 0.015 0.000 2.237 468 K HA 0.238 4.558 4.320 0.001 0.000 0.270 468 K C -0.168 176.459 176.600 0.044 0.000 1.015 468 K CA -0.504 55.798 56.287 0.025 0.000 0.949 468 K CB 0.252 32.760 32.500 0.012 0.000 0.976 468 K HN 0.266 nan 8.250 nan 0.000 0.472 469 N N 2.371 121.102 118.700 0.052 0.000 2.416 469 N HA 0.007 4.747 4.740 0.001 0.000 0.246 469 N C -0.397 175.126 175.510 0.023 0.000 1.260 469 N CA 0.476 53.572 53.050 0.077 0.000 0.897 469 N CB 0.645 39.171 38.487 0.065 0.000 1.110 469 N HN 0.429 nan 8.380 nan 0.000 0.439 470 E N 1.479 121.675 120.200 -0.006 0.000 2.244 470 E HA 0.210 4.560 4.350 0.001 0.000 0.260 470 E C -0.531 175.927 176.600 -0.237 0.000 0.884 470 E CA -0.464 55.819 56.400 -0.195 0.000 0.777 470 E CB 1.924 31.354 29.700 -0.450 0.000 1.197 470 E HN 0.288 nan 8.360 nan 0.000 0.416 471 R N 2.541 122.947 120.500 -0.157 0.000 2.438 471 R HA 0.319 4.660 4.340 0.001 0.000 0.287 471 R C 0.140 176.337 176.300 -0.171 0.000 1.077 471 R CA -0.286 55.743 56.100 -0.119 0.000 1.034 471 R CB 0.673 30.935 30.300 -0.062 0.000 0.993 471 R HN 0.332 nan 8.270 nan 0.000 0.459 472 I N 2.501 122.983 120.570 -0.146 0.000 2.441 472 I HA 0.378 4.548 4.170 0.001 0.000 0.295 472 I C 0.095 176.201 176.117 -0.019 0.000 0.994 472 I CA -0.496 60.725 61.300 -0.131 0.000 1.144 472 I CB 1.625 39.540 38.000 -0.142 0.000 1.314 472 I HN 0.612 nan 8.210 nan 0.000 0.445 473 E N 2.519 122.730 120.200 0.019 0.000 2.433 473 E HA 0.249 4.600 4.350 0.001 0.000 0.273 473 E C -0.074 176.596 176.600 0.117 0.000 0.950 473 E CA -0.603 55.892 56.400 0.158 0.000 0.796 473 E CB 2.014 31.779 29.700 0.109 0.000 1.330 473 E HN 0.540 nan 8.360 nan 0.000 0.455 474 Y N 1.074 121.464 120.300 0.151 0.000 2.384 474 Y HA -0.184 4.366 4.550 0.001 0.000 0.289 474 Y C 1.121 177.024 175.900 0.004 0.000 1.152 474 Y CA 1.784 59.896 58.100 0.020 0.000 1.258 474 Y CB -0.243 38.109 38.460 -0.180 0.000 0.979 474 Y HN 0.400 nan 8.280 nan 0.000 0.549 475 N N -0.746 117.484 118.700 -0.783 0.000 2.282 475 N HA 0.007 4.748 4.740 0.001 0.000 0.185 475 N C -0.046 175.303 175.510 -0.269 0.000 1.099 475 N CA 0.449 53.129 53.050 -0.617 0.000 0.878 475 N CB -0.810 37.168 38.487 -0.848 0.000 0.993 475 N HN 0.159 nan 8.380 nan 0.000 0.481 476 T N 2.683 117.122 114.554 -0.192 0.000 2.800 476 T HA -0.031 4.320 4.350 0.001 0.000 0.283 476 T C 0.405 175.056 174.700 -0.082 0.000 0.999 476 T CA 0.426 62.454 62.100 -0.120 0.000 1.176 476 T CB 0.105 68.912 68.868 -0.103 0.000 0.973 476 T HN 0.428 nan 8.240 nan 0.000 0.519 477 Q N 1.742 121.500 119.800 -0.071 0.000 2.378 477 Q HA 0.689 5.029 4.340 0.001 0.000 0.276 477 Q C -0.067 175.912 176.000 -0.035 0.000 1.083 477 Q CA -1.183 54.599 55.803 -0.035 0.000 0.856 477 Q CB 1.284 30.007 28.738 -0.025 0.000 1.383 477 Q HN 0.586 nan 8.270 nan 0.000 0.458 478 S N 1.076 116.781 115.700 0.008 0.000 2.624 478 S HA 0.363 4.834 4.470 0.001 0.000 0.263 478 S C -0.365 174.184 174.600 -0.085 0.000 1.287 478 S CA -0.655 57.537 58.200 -0.014 0.000 0.990 478 S CB 0.313 63.620 63.200 0.179 0.000 0.950 478 S HN 0.673 nan 8.310 nan 0.000 0.561 479 N N 1.149 119.674 118.700 -0.293 0.000 2.549 479 N HA 0.315 5.055 4.740 0.001 0.000 0.281 479 N C -2.096 173.133 175.510 -0.468 0.000 1.084 479 N CA -0.175 52.707 53.050 -0.281 0.000 0.862 479 N CB 1.098 39.443 38.487 -0.237 0.000 1.333 479 N HN 0.660 nan 8.380 nan 0.000 0.523 480 Y N 1.247 121.504 120.300 -0.071 0.000 2.338 480 Y HA 0.528 5.078 4.550 0.000 0.000 0.333 480 Y C 0.145 175.993 175.900 -0.087 0.000 0.968 480 Y CA -0.719 57.349 58.100 -0.054 0.000 1.123 480 Y CB 1.994 40.436 38.460 -0.030 0.000 1.165 480 Y HN 0.301 nan 8.280 nan 0.000 0.452 481 I N 3.186 123.789 120.570 0.054 0.000 2.354 481 I HA 0.224 4.394 4.170 0.001 0.000 0.286 481 I C -0.302 175.811 176.117 -0.006 0.000 1.007 481 I CA -0.622 60.689 61.300 0.019 0.000 1.167 481 I CB 1.510 39.525 38.000 0.026 0.000 1.320 481 I HN 0.605 nan 8.210 nan 0.000 0.458 482 E N 5.891 126.065 120.200 -0.043 0.000 2.129 482 E HA 0.120 4.470 4.350 0.001 0.000 0.283 482 E C -0.101 176.186 176.600 -0.521 0.000 1.080 482 E CA -0.487 55.812 56.400 -0.167 0.000 0.867 482 E CB 0.509 30.154 29.700 -0.092 0.000 1.056 482 E HN 0.423 nan 8.360 nan 0.000 0.404 483 N N 4.218 122.493 118.700 -0.707 0.000 2.938 483 N HA 0.033 4.773 4.740 0.001 0.000 0.286 483 N C -1.234 173.788 175.510 -0.812 0.000 1.316 483 N CA 0.414 52.624 53.050 -1.400 0.000 1.063 483 N CB -0.099 38.013 38.487 -0.626 0.000 1.388 483 N HN 0.491 nan 8.380 nan 0.000 0.545 484 D N -0.742 119.335 120.400 -0.539 0.000 2.599 484 D HA 0.572 5.213 4.640 0.001 0.000 0.252 484 D C -1.811 174.577 176.300 0.146 0.000 1.232 484 D CA -0.676 53.258 54.000 -0.109 0.000 0.819 484 D CB 1.294 42.032 40.800 -0.104 0.000 1.401 484 D HN -0.077 nan 8.370 nan 0.000 0.429 485 F N 1.817 121.758 119.950 -0.015 0.000 2.767 485 F HA 0.357 4.884 4.527 0.000 0.000 0.341 485 F C -2.443 173.327 175.800 -0.051 0.000 1.192 485 F CA -1.492 56.504 58.000 -0.008 0.000 1.127 485 F CB 1.731 40.741 39.000 0.017 0.000 1.388 485 F HN 0.079 nan 8.300 nan 0.000 0.574 486 P HA -0.010 nan 4.420 nan 0.000 0.256 486 P C 0.884 177.953 177.300 -0.385 0.000 1.189 486 P CA 0.295 63.123 63.100 -0.454 0.000 0.808 486 P CB 0.751 32.171 31.700 -0.467 0.000 0.793 487 I N 4.427 124.899 120.570 -0.163 0.000 2.454 487 I HA -0.240 3.930 4.170 0.001 0.000 0.254 487 I C 1.551 177.609 176.117 -0.098 0.000 1.156 487 I CA 1.445 62.691 61.300 -0.089 0.000 1.433 487 I CB -0.591 37.374 38.000 -0.059 0.000 1.082 487 I HN 0.192 nan 8.210 nan 0.000 0.432 488 N N 0.408 119.039 118.700 -0.116 0.000 2.309 488 N HA -0.201 4.539 4.740 0.001 0.000 0.182 488 N C 1.688 177.142 175.510 -0.094 0.000 1.018 488 N CA 1.353 54.348 53.050 -0.092 0.000 0.876 488 N CB -0.203 38.231 38.487 -0.087 0.000 0.972 488 N HN 0.648 nan 8.380 nan 0.000 0.434 489 E N 0.196 120.307 120.200 -0.149 0.000 2.170 489 E HA -0.062 4.288 4.350 0.001 0.000 0.191 489 E C 1.728 178.309 176.600 -0.032 0.000 0.981 489 E CA 0.358 56.685 56.400 -0.122 0.000 0.830 489 E CB -0.208 29.362 29.700 -0.216 0.000 0.775 489 E HN 0.164 nan 8.360 nan 0.000 0.470 490 L N 1.249 122.477 121.223 0.008 0.000 2.141 490 L HA 0.018 4.359 4.340 0.001 0.000 0.209 490 L C 2.041 178.927 176.870 0.027 0.000 1.094 490 L CA 1.478 56.392 54.840 0.124 0.000 0.763 490 L CB -0.168 41.975 42.059 0.139 0.000 0.908 490 L HN 0.253 nan 8.230 nan 0.000 0.437 491 I N -1.361 119.204 120.570 -0.008 0.000 2.617 491 I HA -0.216 3.954 4.170 0.001 0.000 0.256 491 I C 1.871 177.992 176.117 0.006 0.000 1.167 491 I CA 0.871 62.171 61.300 -0.001 0.000 1.469 491 I CB -0.074 37.915 38.000 -0.019 0.000 1.098 491 I HN 0.226 nan 8.210 nan 0.000 0.436 492 L N -0.727 120.495 121.223 -0.001 0.000 2.513 492 L HA 0.082 4.423 4.340 0.001 0.000 0.222 492 L C 0.953 177.832 176.870 0.016 0.000 1.096 492 L CA -0.052 54.789 54.840 0.001 0.000 0.857 492 L CB -0.238 41.813 42.059 -0.014 0.000 1.026 492 L HN 0.192 nan 8.230 nan 0.000 0.469 493 D N 0.916 121.335 120.400 0.031 0.000 2.586 493 D HA -0.096 4.544 4.640 0.001 0.000 0.234 493 D C 0.660 176.987 176.300 0.044 0.000 1.132 493 D CA 0.431 54.459 54.000 0.048 0.000 0.860 493 D CB 1.509 42.359 40.800 0.083 0.000 1.159 493 D HN 0.039 nan 8.370 nan 0.000 0.490 494 T N 2.825 117.402 114.554 0.039 0.000 2.814 494 T HA -0.076 4.275 4.350 0.001 0.000 0.254 494 T C 0.557 175.282 174.700 0.041 0.000 1.037 494 T CA 0.530 62.651 62.100 0.035 0.000 1.143 494 T CB 0.169 69.054 68.868 0.029 0.000 0.866 494 T HN 0.445 nan 8.240 nan 0.000 0.431 495 D N 1.339 121.767 120.400 0.047 0.000 2.896 495 D HA 0.274 4.914 4.640 0.001 0.000 0.240 495 D C 0.604 176.940 176.300 0.059 0.000 1.193 495 D CA 0.042 54.073 54.000 0.051 0.000 0.983 495 D CB 0.857 41.691 40.800 0.055 0.000 1.074 495 D HN 0.221 nan 8.370 nan 0.000 0.496 496 L N -0.061 121.196 121.223 0.057 0.000 2.663 496 L HA 0.192 4.532 4.340 0.001 0.000 0.218 496 L C 0.073 176.975 176.870 0.054 0.000 1.043 496 L CA 0.165 55.042 54.840 0.060 0.000 0.876 496 L CB 0.751 42.853 42.059 0.072 0.000 1.263 496 L HN -0.120 nan 8.230 nan 0.000 0.486 497 I N 1.863 122.463 120.570 0.050 0.000 2.363 497 I HA 0.098 4.268 4.170 0.001 0.000 0.292 497 I C 0.684 176.815 176.117 0.023 0.000 1.075 497 I CA 0.156 61.479 61.300 0.039 0.000 1.333 497 I CB 0.190 38.213 38.000 0.038 0.000 1.415 497 I HN 0.161 nan 8.210 nan 0.000 0.502 498 S N 6.996 122.704 115.700 0.014 0.000 2.784 498 S HA -0.100 4.370 4.470 0.001 0.000 0.322 498 S C 1.154 175.747 174.600 -0.013 0.000 1.234 498 S CA 0.136 58.331 58.200 -0.007 0.000 1.064 498 S CB -0.127 63.053 63.200 -0.033 0.000 0.787 498 S HN 0.699 nan 8.310 nan 0.000 0.506 499 K N 4.563 124.958 120.400 -0.009 0.000 2.498 499 K HA 0.280 4.600 4.320 0.001 0.000 0.207 499 K C -0.353 176.233 176.600 -0.023 0.000 1.033 499 K CA -0.556 55.725 56.287 -0.010 0.000 1.138 499 K CB 0.191 32.693 32.500 0.002 0.000 0.860 499 K HN 0.392 nan 8.250 nan 0.000 0.490 500 I N 3.053 123.599 120.570 -0.041 0.000 2.312 500 I HA 0.105 4.276 4.170 0.001 0.000 0.290 500 I C 0.351 176.409 176.117 -0.098 0.000 1.008 500 I CA -1.176 60.086 61.300 -0.063 0.000 1.226 500 I CB 0.945 38.902 38.000 -0.072 0.000 1.371 500 I HN 0.383 nan 8.210 nan 0.000 0.468 501 E N 5.315 125.459 120.200 -0.093 0.000 2.975 501 E HA -0.149 4.201 4.350 0.001 0.000 0.269 501 E C -0.961 175.538 176.600 -0.169 0.000 0.905 501 E CA -0.115 56.219 56.400 -0.109 0.000 0.967 501 E CB 0.592 30.236 29.700 -0.093 0.000 0.925 501 E HN 0.398 nan 8.360 nan 0.000 0.507 502 L N 7.097 128.232 121.223 -0.147 0.000 2.319 502 L HA 0.355 4.696 4.340 0.001 0.000 0.280 502 L C -2.225 174.533 176.870 -0.187 0.000 1.099 502 L CA -1.644 53.088 54.840 -0.180 0.000 0.828 502 L CB 0.719 42.710 42.059 -0.113 0.000 1.150 502 L HN 0.562 nan 8.230 nan 0.000 0.442 503 P HA 0.139 nan 4.420 nan 0.000 0.271 503 P C -0.973 176.305 177.300 -0.036 0.000 1.233 503 P CA -0.324 62.623 63.100 -0.255 0.000 0.789 503 P CB 0.392 31.724 31.700 -0.613 0.000 0.951 504 S N 0.124 115.859 115.700 0.058 0.000 2.562 504 S HA 0.015 4.486 4.470 0.001 0.000 0.281 504 S C 1.054 175.803 174.600 0.248 0.000 1.333 504 S CA -0.019 58.252 58.200 0.118 0.000 1.052 504 S CB 0.299 63.562 63.200 0.105 0.000 0.884 504 S HN 0.597 nan 8.310 nan 0.000 0.506 505 E N 2.308 122.631 120.200 0.205 0.000 2.371 505 E HA -0.005 4.346 4.350 0.001 0.000 0.194 505 E C 0.045 176.667 176.600 0.038 0.000 1.012 505 E CA -0.046 56.508 56.400 0.257 0.000 0.860 505 E CB -0.172 29.660 29.700 0.219 0.000 0.811 505 E HN 0.577 nan 8.360 nan 0.000 0.502 506 N N 1.335 120.047 118.700 0.020 0.000 2.530 506 N HA 0.111 4.852 4.740 0.001 0.000 0.273 506 N C -0.342 175.071 175.510 -0.161 0.000 1.173 506 N CA 0.603 53.603 53.050 -0.083 0.000 0.967 506 N CB 1.695 40.170 38.487 -0.019 0.000 1.109 506 N HN 0.161 nan 8.380 nan 0.000 0.453 507 T N -0.308 114.082 114.554 -0.273 0.000 2.653 507 T HA 0.101 4.451 4.350 0.001 0.000 0.306 507 T C -1.500 173.082 174.700 -0.197 0.000 1.426 507 T CA -0.660 61.278 62.100 -0.271 0.000 1.008 507 T CB 0.654 69.130 68.868 -0.654 0.000 1.692 507 T HN 0.230 nan 8.240 nan 0.000 0.483 508 E N 2.038 122.152 120.200 -0.143 0.000 2.392 508 E HA 0.291 4.641 4.350 0.001 0.000 0.264 508 E C 0.298 176.819 176.600 -0.132 0.000 1.024 508 E CA 0.054 56.393 56.400 -0.102 0.000 0.903 508 E CB 1.012 30.672 29.700 -0.066 0.000 0.963 508 E HN 0.692 nan 8.360 nan 0.000 0.432 509 S N 2.075 117.717 115.700 -0.097 0.000 2.572 509 S HA 0.126 4.596 4.470 0.001 0.000 0.279 509 S C 0.285 174.808 174.600 -0.128 0.000 1.341 509 S CA -0.857 57.289 58.200 -0.090 0.000 1.043 509 S CB 0.625 63.809 63.200 -0.027 0.000 0.887 509 S HN 0.404 nan 8.310 nan 0.000 0.516 510 L N 3.000 124.116 121.223 -0.178 0.000 2.453 510 L HA 0.328 4.668 4.340 0.001 0.000 0.272 510 L C 1.334 177.868 176.870 -0.560 0.000 1.182 510 L CA 1.111 55.741 54.840 -0.350 0.000 0.858 510 L CB 0.858 42.674 42.059 -0.405 0.000 1.120 510 L HN 1.086 nan 8.230 nan 0.000 0.474 511 T N -1.286 112.948 114.554 -0.532 0.000 2.954 511 T HA 0.180 4.531 4.350 0.001 0.000 0.252 511 T C 0.276 174.681 174.700 -0.492 0.000 0.983 511 T CA 0.021 61.859 62.100 -0.436 0.000 0.941 511 T CB -0.098 68.681 68.868 -0.147 0.000 1.141 511 T HN 0.516 nan 8.240 nan 0.000 0.500 512 D N 0.874 120.986 120.400 -0.479 0.000 2.467 512 D HA 0.312 4.952 4.640 0.001 0.000 0.220 512 D C -0.466 175.641 176.300 -0.321 0.000 1.103 512 D CA -1.336 52.504 54.000 -0.266 0.000 0.886 512 D CB -0.030 40.683 40.800 -0.144 0.000 1.025 512 D HN 0.257 nan 8.370 nan 0.000 0.514 513 F N 1.563 121.509 119.950 -0.008 0.000 2.731 513 F HA 0.122 4.649 4.527 0.000 0.000 0.304 513 F C 1.213 177.013 175.800 0.001 0.000 1.133 513 F CA -0.606 57.391 58.000 -0.006 0.000 1.380 513 F CB -0.591 38.406 39.000 -0.004 0.000 1.079 513 F HN 0.224 nan 8.300 nan 0.000 0.550 514 N N 1.780 120.546 118.700 0.111 0.000 2.374 514 N HA 0.123 4.864 4.740 0.001 0.000 0.269 514 N C -0.805 174.738 175.510 0.055 0.000 1.310 514 N CA 0.416 53.506 53.050 0.067 0.000 0.877 514 N CB 0.447 38.947 38.487 0.021 0.000 1.096 514 N HN 0.065 nan 8.380 nan 0.000 0.484 515 V N 2.870 122.822 119.914 0.063 0.000 3.167 515 V HA 0.292 4.413 4.120 0.001 0.000 0.293 515 V C -1.740 174.369 176.094 0.025 0.000 1.379 515 V CA -0.994 61.346 62.300 0.066 0.000 1.019 515 V CB 2.222 34.142 31.823 0.161 0.000 1.115 515 V HN 0.656 nan 8.190 nan 0.000 0.442 516 D N 3.408 123.795 120.400 -0.021 0.000 2.274 516 D HA 0.441 5.082 4.640 0.001 0.000 0.239 516 D C -0.465 175.713 176.300 -0.202 0.000 1.104 516 D CA 0.110 54.051 54.000 -0.098 0.000 0.840 516 D CB 1.929 42.649 40.800 -0.134 0.000 1.100 516 D HN 0.325 nan 8.370 nan 0.000 0.477 517 V N 4.651 124.397 119.914 -0.280 0.000 2.350 517 V HA 0.245 4.366 4.120 0.001 0.000 0.276 517 V C -1.928 173.894 176.094 -0.453 0.000 1.028 517 V CA -1.530 60.439 62.300 -0.553 0.000 0.860 517 V CB 1.224 32.831 31.823 -0.361 0.000 0.990 517 V HN 0.356 nan 8.190 nan 0.000 0.453 518 P HA 0.196 nan 4.420 nan 0.000 0.267 518 P C -0.881 176.013 177.300 -0.677 0.000 1.200 518 P CA -0.008 62.749 63.100 -0.572 0.000 0.772 518 P CB 0.538 31.872 31.700 -0.609 0.000 0.855 519 V N 3.693 123.209 119.914 -0.663 0.000 2.444 519 V HA 0.366 4.487 4.120 0.001 0.000 0.294 519 V C -0.612 175.147 176.094 -0.559 0.000 1.022 519 V CA -0.576 61.438 62.300 -0.476 0.000 0.850 519 V CB 0.577 32.263 31.823 -0.230 0.000 0.992 519 V HN 0.406 nan 8.190 nan 0.000 0.426 520 Y N 2.413 122.586 120.300 -0.212 0.000 2.528 520 Y HA 0.789 5.339 4.550 0.000 0.000 0.335 520 Y C 0.427 176.434 175.900 0.178 0.000 1.093 520 Y CA -0.938 57.112 58.100 -0.082 0.000 1.134 520 Y CB 1.763 39.998 38.460 -0.374 0.000 1.253 520 Y HN 0.771 nan 8.280 nan 0.000 0.478 521 E N -0.256 120.246 120.200 0.504 0.000 2.380 521 E HA 0.409 4.760 4.350 0.001 0.000 0.281 521 E C -1.833 174.783 176.600 0.027 0.000 0.999 521 E CA -1.321 55.255 56.400 0.292 0.000 0.800 521 E CB 1.714 31.481 29.700 0.112 0.000 1.228 521 E HN 0.462 nan 8.360 nan 0.000 0.436 522 K N 1.051 121.226 120.400 -0.375 0.000 2.149 522 K HA 0.142 4.463 4.320 0.001 0.000 0.245 522 K C 0.011 176.479 176.600 -0.220 0.000 1.024 522 K CA -0.110 55.844 56.287 -0.555 0.000 0.899 522 K CB 0.566 32.693 32.500 -0.621 0.000 1.038 522 K HN 0.634 nan 8.250 nan 0.000 0.496 523 Q N -0.505 119.186 119.800 -0.180 0.000 2.495 523 Q HA 0.464 4.804 4.340 0.001 0.000 0.287 523 Q C -2.903 173.062 176.000 -0.058 0.000 1.078 523 Q CA -2.550 53.196 55.803 -0.094 0.000 0.793 523 Q CB 1.457 30.142 28.738 -0.088 0.000 1.459 523 Q HN 0.141 nan 8.270 nan 0.000 0.422 524 P HA -0.070 nan 4.420 nan 0.000 0.263 524 P C -0.411 176.977 177.300 0.147 0.000 1.175 524 P CA 0.629 63.758 63.100 0.047 0.000 0.761 524 P CB 0.539 32.280 31.700 0.067 0.000 0.794 525 A N 3.886 126.767 122.820 0.103 0.000 2.251 525 A HA 0.169 4.489 4.320 0.001 0.000 0.209 525 A C 0.692 178.324 177.584 0.080 0.000 1.187 525 A CA 0.661 52.795 52.037 0.163 0.000 0.823 525 A CB -0.449 18.587 19.000 0.060 0.000 0.846 525 A HN 0.511 nan 8.150 nan 0.000 0.486 526 I N -0.258 120.327 120.570 0.026 0.000 2.534 526 I HA 0.274 4.444 4.170 0.001 0.000 0.288 526 I C -0.620 175.452 176.117 -0.076 0.000 1.077 526 I CA -0.524 60.714 61.300 -0.104 0.000 1.051 526 I CB 2.277 40.224 38.000 -0.087 0.000 1.234 526 I HN 0.006 nan 8.210 nan 0.000 0.425 527 K N 6.833 127.125 120.400 -0.180 0.000 2.358 527 K HA 0.398 4.718 4.320 0.001 0.000 0.260 527 K C -0.892 175.625 176.600 -0.138 0.000 0.956 527 K CA -0.734 55.501 56.287 -0.086 0.000 0.834 527 K CB 1.655 34.148 32.500 -0.012 0.000 1.102 527 K HN 0.492 nan 8.250 nan 0.000 0.431 528 K N 5.577 125.909 120.400 -0.113 0.000 2.258 528 K HA 0.263 4.584 4.320 0.001 0.000 0.284 528 K C -0.470 176.021 176.600 -0.182 0.000 1.051 528 K CA -0.572 55.600 56.287 -0.191 0.000 0.923 528 K CB 0.422 32.808 32.500 -0.190 0.000 1.046 528 K HN 0.595 nan 8.250 nan 0.000 0.474 529 I N 0.232 120.637 120.570 -0.274 0.000 2.892 529 I HA 0.567 4.738 4.170 0.001 0.000 0.306 529 I C -1.346 174.539 176.117 -0.387 0.000 1.078 529 I CA -0.863 60.332 61.300 -0.176 0.000 1.032 529 I CB 1.441 39.399 38.000 -0.070 0.000 1.229 529 I HN 0.327 nan 8.210 nan 0.000 0.435 530 F N 1.479 121.372 119.950 -0.095 0.000 2.482 530 F HA 0.805 5.331 4.527 -0.001 0.000 0.331 530 F C 0.363 176.058 175.800 -0.174 0.000 1.115 530 F CA -0.416 57.515 58.000 -0.115 0.000 0.955 530 F CB 2.223 41.178 39.000 -0.074 0.000 1.136 530 F HN 0.741 nan 8.300 nan 0.000 0.452 531 T N 1.353 115.864 114.554 -0.071 0.000 2.957 531 T HA 0.241 4.592 4.350 0.001 0.000 0.336 531 T C -0.885 173.745 174.700 -0.116 0.000 1.462 531 T CA -0.643 61.335 62.100 -0.203 0.000 1.073 531 T CB 1.265 69.721 68.868 -0.687 0.000 1.319 531 T HN 0.599 nan 8.240 nan 0.000 0.485 532 D N 1.528 121.895 120.400 -0.056 0.000 2.433 532 D HA 0.147 4.787 4.640 0.001 0.000 0.211 532 D C 0.193 176.515 176.300 0.037 0.000 1.114 532 D CA -0.105 53.901 54.000 0.011 0.000 0.837 532 D CB 0.688 41.512 40.800 0.039 0.000 0.984 532 D HN 0.549 nan 8.370 nan 0.000 0.505 533 E N 1.456 121.654 120.200 -0.003 0.000 2.413 533 E HA 0.076 4.426 4.350 0.001 0.000 0.263 533 E C 0.146 176.835 176.600 0.148 0.000 1.015 533 E CA 0.424 56.878 56.400 0.090 0.000 0.916 533 E CB 0.709 30.513 29.700 0.173 0.000 0.947 533 E HN 0.002 nan 8.360 nan 0.000 0.440 534 N N 2.250 121.049 118.700 0.165 0.000 2.904 534 N HA 0.087 4.828 4.740 0.001 0.000 0.257 534 N C -0.144 175.424 175.510 0.098 0.000 1.363 534 N CA -0.029 53.145 53.050 0.207 0.000 0.856 534 N CB 1.364 39.965 38.487 0.190 0.000 1.166 534 N HN 0.336 nan 8.380 nan 0.000 0.499 535 T N -0.127 114.538 114.554 0.185 0.000 2.990 535 T HA 0.346 4.697 4.350 0.001 0.000 0.296 535 T C 1.781 176.465 174.700 -0.027 0.000 1.189 535 T CA -0.567 61.548 62.100 0.026 0.000 0.938 535 T CB 0.564 69.511 68.868 0.132 0.000 1.994 535 T HN 0.292 nan 8.240 nan 0.000 0.584 536 I N -0.168 120.278 120.570 -0.206 0.000 2.145 536 I HA -0.192 3.979 4.170 0.001 0.000 0.244 536 I C 1.873 177.906 176.117 -0.141 0.000 1.075 536 I CA 1.967 63.109 61.300 -0.264 0.000 1.332 536 I CB -0.237 37.506 38.000 -0.429 0.000 1.033 536 I HN 0.667 nan 8.210 nan 0.000 0.410 537 F N 0.663 120.769 119.950 0.260 0.000 2.075 537 F HA -0.274 4.256 4.527 0.005 0.000 0.297 537 F C 2.647 178.626 175.800 0.300 0.000 1.113 537 F CA 1.312 59.467 58.000 0.258 0.000 1.218 537 F CB -0.952 38.200 39.000 0.254 0.000 0.984 537 F HN 0.082 nan 8.300 nan 0.000 0.472 538 Q N -0.496 119.599 119.800 0.492 0.000 2.084 538 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 538 Q C 2.041 178.392 176.000 0.584 0.000 0.978 538 Q CA 1.542 57.650 55.803 0.508 0.000 0.844 538 Q CB -0.920 28.136 28.738 0.530 0.000 0.898 538 Q HN 0.429 nan 8.270 nan 0.000 0.426 539 Y N 0.132 120.587 120.300 0.259 0.000 2.224 539 Y HA -0.145 4.415 4.550 0.018 0.000 0.289 539 Y C 1.902 177.970 175.900 0.281 0.000 1.146 539 Y CA 0.913 59.124 58.100 0.185 0.000 1.182 539 Y CB -0.238 38.172 38.460 -0.084 0.000 0.983 539 Y HN 0.075 nan 8.280 nan 0.000 0.524 540 L N -1.994 119.473 121.223 0.406 0.000 2.109 540 L HA -0.243 4.097 4.340 0.001 0.000 0.207 540 L C 2.246 179.322 176.870 0.344 0.000 1.086 540 L CA 1.276 56.372 54.840 0.426 0.000 0.760 540 L CB -0.649 41.658 42.059 0.413 0.000 0.910 540 L HN 0.227 nan 8.230 nan 0.000 0.437 541 Y N 1.043 121.461 120.300 0.197 0.000 2.145 541 Y HA -0.321 4.228 4.550 -0.001 0.000 0.286 541 Y C 2.907 178.811 175.900 0.007 0.000 1.145 541 Y CA 1.599 59.743 58.100 0.072 0.000 1.148 541 Y CB -0.420 38.104 38.460 0.107 0.000 0.981 541 Y HN 0.266 nan 8.280 nan 0.000 0.507 542 S N -0.382 115.345 115.700 0.045 0.000 2.493 542 S HA -0.239 4.231 4.470 0.001 0.000 0.243 542 S C 1.409 175.983 174.600 -0.044 0.000 0.991 542 S CA 1.468 59.595 58.200 -0.122 0.000 0.957 542 S CB -0.560 62.543 63.200 -0.162 0.000 0.756 542 S HN 0.746 nan 8.310 nan 0.000 0.521 543 Q N 1.450 121.256 119.800 0.011 0.000 2.280 543 Q HA 0.166 4.507 4.340 0.001 0.000 0.201 543 Q C 0.688 176.568 176.000 -0.200 0.000 0.890 543 Q CA 0.496 56.325 55.803 0.043 0.000 0.947 543 Q CB 0.539 29.433 28.738 0.261 0.000 1.081 543 Q HN 0.823 nan 8.270 nan 0.000 0.502 544 T N -1.662 112.667 114.554 -0.375 0.000 2.922 544 T HA 0.692 5.042 4.350 0.001 0.000 0.281 544 T C -0.419 174.206 174.700 -0.124 0.000 1.005 544 T CA -0.849 60.995 62.100 -0.425 0.000 0.982 544 T CB 1.186 69.676 68.868 -0.629 0.000 1.158 544 T HN 0.163 nan 8.240 nan 0.000 0.566 545 F N -2.514 117.277 119.950 -0.265 0.000 2.665 545 F HA 0.721 5.248 4.527 -0.001 0.000 0.308 545 F C -3.277 172.447 175.800 -0.126 0.000 1.112 545 F CA -2.441 55.447 58.000 -0.186 0.000 0.972 545 F CB -0.331 38.589 39.000 -0.133 0.000 1.295 545 F HN 0.440 nan 8.300 nan 0.000 0.440 546 P HA 0.213 nan 4.420 nan 0.000 0.267 546 P C 0.764 178.053 177.300 -0.018 0.000 1.200 546 P CA -0.302 62.780 63.100 -0.031 0.000 0.772 546 P CB 0.859 32.574 31.700 0.024 0.000 0.855 547 L N 1.318 122.505 121.223 -0.060 0.000 2.141 547 L HA -0.143 4.197 4.340 0.001 0.000 0.209 547 L C 1.739 178.637 176.870 0.046 0.000 1.094 547 L CA 1.479 56.300 54.840 -0.031 0.000 0.763 547 L CB -0.701 41.335 42.059 -0.039 0.000 0.908 547 L HN 0.493 nan 8.230 nan 0.000 0.437 548 D N -0.317 120.109 120.400 0.043 0.000 2.363 548 D HA -0.072 4.568 4.640 0.001 0.000 0.226 548 D C 0.499 176.839 176.300 0.067 0.000 1.020 548 D CA 0.200 54.230 54.000 0.050 0.000 0.892 548 D CB 0.016 40.834 40.800 0.031 0.000 0.900 548 D HN 0.154 nan 8.370 nan 0.000 0.531 549 I N 1.160 121.793 120.570 0.104 0.000 2.354 549 I HA 0.268 4.439 4.170 0.001 0.000 0.292 549 I C 1.242 177.416 176.117 0.095 0.000 0.989 549 I CA -0.927 60.422 61.300 0.082 0.000 1.188 549 I CB 1.398 39.445 38.000 0.077 0.000 1.342 549 I HN -0.046 nan 8.210 nan 0.000 0.457 550 R N 3.343 123.847 120.500 0.007 0.000 2.373 550 R HA 0.314 4.655 4.340 0.001 0.000 0.221 550 R C -0.468 175.631 176.300 -0.335 0.000 0.893 550 R CA -0.195 55.897 56.100 -0.012 0.000 1.049 550 R CB 0.166 30.552 30.300 0.143 0.000 1.119 550 R HN 0.435 nan 8.270 nan 0.000 0.535 551 D N 2.473 122.551 120.400 -0.537 0.000 2.473 551 D HA 0.262 4.902 4.640 0.001 0.000 0.226 551 D C -0.207 175.766 176.300 -0.545 0.000 1.089 551 D CA -0.701 52.709 54.000 -0.983 0.000 0.883 551 D CB 0.727 40.937 40.800 -0.984 0.000 1.029 551 D HN 0.419 nan 8.370 nan 0.000 0.517 552 I N -0.119 120.146 120.570 -0.509 0.000 2.957 552 I HA 0.762 4.933 4.170 0.001 0.000 0.310 552 I C -0.642 175.304 176.117 -0.285 0.000 1.063 552 I CA -0.957 60.109 61.300 -0.391 0.000 1.033 552 I CB 2.246 39.916 38.000 -0.550 0.000 1.230 552 I HN 0.245 nan 8.210 nan 0.000 0.447 553 S N 3.844 119.415 115.700 -0.215 0.000 2.549 553 S HA 0.675 5.145 4.470 0.001 0.000 0.280 553 S C -0.714 173.812 174.600 -0.124 0.000 1.109 553 S CA -0.934 57.176 58.200 -0.150 0.000 0.905 553 S CB 1.695 64.813 63.200 -0.136 0.000 1.081 553 S HN 0.680 nan 8.310 nan 0.000 0.477 554 L N 1.704 122.869 121.223 -0.097 0.000 2.439 554 L HA 0.703 5.043 4.340 0.001 0.000 0.261 554 L C 0.581 177.414 176.870 -0.062 0.000 1.153 554 L CA -0.284 54.509 54.840 -0.078 0.000 0.808 554 L CB 1.474 43.487 42.059 -0.077 0.000 1.126 554 L HN 0.907 nan 8.230 nan 0.000 0.460 555 T N -1.280 113.246 114.554 -0.046 0.000 2.932 555 T HA 0.218 4.568 4.350 0.001 0.000 0.318 555 T C 0.364 175.059 174.700 -0.009 0.000 1.265 555 T CA -0.168 61.927 62.100 -0.009 0.000 1.036 555 T CB 1.543 70.425 68.868 0.024 0.000 1.209 555 T HN 0.685 nan 8.240 nan 0.000 0.484 556 S N 1.539 117.260 115.700 0.035 0.000 2.548 556 S HA 0.214 4.684 4.470 0.001 0.000 0.215 556 S C 0.931 175.696 174.600 0.274 0.000 0.976 556 S CA -0.058 58.180 58.200 0.063 0.000 0.908 556 S CB 0.149 63.396 63.200 0.079 0.000 0.781 556 S HN 0.570 nan 8.310 nan 0.000 0.519 557 S N 1.270 117.122 115.700 0.253 0.000 2.399 557 S HA 0.371 4.842 4.470 0.001 0.000 0.301 557 S C 0.426 175.214 174.600 0.314 0.000 1.093 557 S CA -0.903 57.461 58.200 0.273 0.000 1.077 557 S CB -0.306 62.990 63.200 0.160 0.000 0.980 557 S HN 0.394 nan 8.310 nan 0.000 0.494 558 F N 5.168 125.200 119.950 0.136 0.000 2.095 558 F HA -0.132 4.403 4.527 0.014 0.000 0.298 558 F C 1.683 177.409 175.800 -0.122 0.000 1.104 558 F CA 2.039 59.873 58.000 -0.276 0.000 1.232 558 F CB -0.239 38.377 39.000 -0.639 0.000 0.987 558 F HN 0.592 nan 8.300 nan 0.000 0.475 559 D N 0.371 120.693 120.400 -0.131 0.000 2.123 559 D HA -0.189 4.452 4.640 0.001 0.000 0.196 559 D C 1.852 178.076 176.300 -0.126 0.000 0.992 559 D CA 1.673 55.566 54.000 -0.178 0.000 0.833 559 D CB -0.552 40.276 40.800 0.046 0.000 0.954 559 D HN 0.383 nan 8.370 nan 0.000 0.455 560 D N 0.674 121.089 120.400 0.026 0.000 2.144 560 D HA -0.062 4.578 4.640 0.001 0.000 0.200 560 D C 2.079 178.472 176.300 0.154 0.000 0.978 560 D CA 0.967 55.082 54.000 0.192 0.000 0.833 560 D CB -0.240 40.676 40.800 0.193 0.000 0.961 560 D HN 0.110 nan 8.370 nan 0.000 0.470 561 A N 1.077 123.895 122.820 -0.003 0.000 1.883 561 A HA -0.157 4.164 4.320 0.001 0.000 0.217 561 A C 2.388 179.878 177.584 -0.156 0.000 1.186 561 A CA 1.013 53.022 52.037 -0.047 0.000 0.624 561 A CB -0.895 18.085 19.000 -0.033 0.000 0.822 561 A HN 0.213 nan 8.150 nan 0.000 0.444 562 L N -1.408 119.610 121.223 -0.342 0.000 2.131 562 L HA -0.170 4.171 4.340 0.001 0.000 0.210 562 L C 2.562 179.324 176.870 -0.180 0.000 1.092 562 L CA 0.922 55.589 54.840 -0.289 0.000 0.759 562 L CB -0.387 41.419 42.059 -0.422 0.000 0.903 562 L HN 0.409 nan 8.230 nan 0.000 0.435 563 L N -1.018 120.083 121.223 -0.203 0.000 2.049 563 L HA -0.009 4.331 4.340 0.001 0.000 0.203 563 L C 0.250 176.830 176.870 -0.483 0.000 1.074 563 L CA 1.390 56.010 54.840 -0.367 0.000 0.749 563 L CB -0.085 41.676 42.059 -0.497 0.000 0.907 563 L HN -0.116 nan 8.230 nan 0.000 0.439 564 F N -0.686 119.218 119.950 -0.076 0.000 2.404 564 F HA 0.227 4.754 4.527 -0.001 0.000 0.354 564 F C 1.669 177.423 175.800 -0.076 0.000 1.122 564 F CA -0.107 57.853 58.000 -0.066 0.000 1.080 564 F CB 0.846 39.809 39.000 -0.063 0.000 1.131 564 F HN -0.015 nan 8.300 nan 0.000 0.471 565 S N 1.049 116.794 115.700 0.074 0.000 2.440 565 S HA -0.234 4.236 4.470 0.001 0.000 0.238 565 S C 1.423 176.041 174.600 0.031 0.000 1.010 565 S CA 1.421 59.639 58.200 0.030 0.000 0.972 565 S CB -0.478 62.736 63.200 0.024 0.000 0.774 565 S HN 0.770 nan 8.310 nan 0.000 0.501 566 N N 0.696 119.418 118.700 0.037 0.000 2.336 566 N HA 0.056 4.797 4.740 0.001 0.000 0.189 566 N C -0.350 175.108 175.510 -0.086 0.000 1.113 566 N CA 0.016 53.033 53.050 -0.055 0.000 0.858 566 N CB -0.023 38.423 38.487 -0.069 0.000 0.970 566 N HN 0.184 nan 8.380 nan 0.000 0.471 567 K N 1.149 121.543 120.400 -0.011 0.000 2.235 567 K HA 0.399 4.719 4.320 0.001 0.000 0.266 567 K C -0.969 175.616 176.600 -0.025 0.000 0.980 567 K CA -0.716 55.556 56.287 -0.026 0.000 0.849 567 K CB 2.702 35.228 32.500 0.043 0.000 1.098 567 K HN -0.152 nan 8.250 nan 0.000 0.445 568 V N 4.000 123.887 119.914 -0.045 0.000 2.448 568 V HA 0.186 4.307 4.120 0.001 0.000 0.295 568 V C -0.556 175.561 176.094 0.038 0.000 1.025 568 V CA -1.123 61.171 62.300 -0.010 0.000 0.859 568 V CB 1.252 33.048 31.823 -0.044 0.000 0.988 568 V HN 0.622 nan 8.190 nan 0.000 0.431 569 Y N 3.767 124.044 120.300 -0.039 0.000 2.511 569 Y HA 0.429 4.978 4.550 -0.001 0.000 0.332 569 Y C 0.544 176.447 175.900 0.005 0.000 1.177 569 Y CA 0.658 58.760 58.100 0.003 0.000 1.422 569 Y CB 1.091 39.571 38.460 0.033 0.000 1.271 569 Y HN 0.646 nan 8.280 nan 0.000 0.550 570 S N 6.193 121.441 115.700 -0.754 0.000 2.571 570 S HA 0.368 4.838 4.470 0.001 0.000 0.284 570 S C -0.213 173.843 174.600 -0.907 0.000 1.128 570 S CA -0.800 56.959 58.200 -0.736 0.000 0.970 570 S CB 0.056 63.049 63.200 -0.345 0.000 1.039 570 S HN 0.649 nan 8.310 nan 0.000 0.485 571 F N 2.705 122.256 119.950 -0.664 0.000 2.765 571 F HA 0.531 5.062 4.527 0.006 0.000 0.302 571 F C 0.159 175.870 175.800 -0.147 0.000 1.111 571 F CA -0.970 56.818 58.000 -0.355 0.000 1.359 571 F CB -0.451 38.466 39.000 -0.138 0.000 1.097 571 F HN 0.342 nan 8.300 nan 0.000 0.577 572 F N 1.406 121.046 119.950 -0.516 0.000 2.368 572 F HA 0.292 4.819 4.527 -0.001 0.000 0.308 572 F C 1.539 177.261 175.800 -0.131 0.000 1.198 572 F CA -1.075 56.666 58.000 -0.430 0.000 1.130 572 F CB 0.615 39.122 39.000 -0.822 0.000 1.300 572 F HN -0.012 nan 8.300 nan 0.000 0.537 573 S N 1.034 116.807 115.700 0.121 0.000 2.569 573 S HA -0.096 4.375 4.470 0.001 0.000 0.274 573 S C 0.873 175.559 174.600 0.142 0.000 1.353 573 S CA -0.643 57.623 58.200 0.111 0.000 1.023 573 S CB 0.648 63.883 63.200 0.057 0.000 0.876 573 S HN 0.854 nan 8.310 nan 0.000 0.540 574 M N 0.449 120.108 119.600 0.098 0.000 2.117 574 M HA -0.149 4.331 4.480 0.001 0.000 0.262 574 M C 1.755 178.097 176.300 0.069 0.000 1.065 574 M CA 2.458 57.805 55.300 0.078 0.000 1.114 574 M CB -0.623 32.015 32.600 0.063 0.000 1.361 574 M HN 0.992 nan 8.290 nan 0.000 0.408 575 D N -0.768 119.675 120.400 0.071 0.000 2.117 575 D HA -0.256 4.384 4.640 0.001 0.000 0.197 575 D C 1.849 178.188 176.300 0.063 0.000 0.987 575 D CA 1.531 55.565 54.000 0.056 0.000 0.829 575 D CB -0.387 40.442 40.800 0.048 0.000 0.961 575 D HN 0.537 nan 8.370 nan 0.000 0.460 576 Y N 0.809 121.100 120.300 -0.015 0.000 2.165 576 Y HA -0.120 4.430 4.550 0.001 0.000 0.286 576 Y C 1.935 177.848 175.900 0.021 0.000 1.155 576 Y CA 1.581 59.672 58.100 -0.016 0.000 1.164 576 Y CB -0.320 38.115 38.460 -0.043 0.000 0.978 576 Y HN 0.061 nan 8.280 nan 0.000 0.513 577 I N 0.141 120.679 120.570 -0.053 0.000 2.394 577 I HA -0.276 3.894 4.170 0.001 0.000 0.251 577 I C 2.308 178.355 176.117 -0.116 0.000 1.136 577 I CA 1.459 62.681 61.300 -0.129 0.000 1.425 577 I CB -0.347 37.656 38.000 0.005 0.000 1.079 577 I HN 0.189 nan 8.210 nan 0.000 0.425 578 K N 0.162 120.530 120.400 -0.053 0.000 2.062 578 K HA -0.082 4.239 4.320 0.001 0.000 0.205 578 K C 2.098 178.701 176.600 0.005 0.000 1.051 578 K CA 1.668 57.944 56.287 -0.019 0.000 0.941 578 K CB -0.180 32.324 32.500 0.006 0.000 0.719 578 K HN 0.252 nan 8.250 nan 0.000 0.440 579 T N 1.176 115.728 114.554 -0.002 0.000 2.788 579 T HA -0.134 4.216 4.350 0.001 0.000 0.268 579 T C 1.978 176.807 174.700 0.215 0.000 1.044 579 T CA 1.288 63.448 62.100 0.100 0.000 1.139 579 T CB -0.232 68.645 68.868 0.014 0.000 0.867 579 T HN 0.288 nan 8.240 nan 0.000 0.454 580 A N 2.559 125.350 122.820 -0.048 0.000 1.940 580 A HA -0.130 4.191 4.320 0.001 0.000 0.219 580 A C 2.021 179.712 177.584 0.178 0.000 1.176 580 A CA 1.354 53.400 52.037 0.015 0.000 0.631 580 A CB -0.419 18.392 19.000 -0.315 0.000 0.814 580 A HN 0.416 nan 8.150 nan 0.000 0.446 581 N N -0.409 118.322 118.700 0.052 0.000 2.322 581 N HA 0.036 4.776 4.740 0.001 0.000 0.194 581 N C 0.232 175.732 175.510 -0.016 0.000 1.126 581 N CA 0.234 53.289 53.050 0.008 0.000 0.845 581 N CB 0.021 38.486 38.487 -0.038 0.000 0.976 581 N HN 0.534 nan 8.380 nan 0.000 0.475 582 K N 1.401 121.817 120.400 0.026 0.000 2.379 582 K HA 0.193 4.513 4.320 0.001 0.000 0.284 582 K C -0.586 175.813 176.600 -0.335 0.000 1.044 582 K CA -0.108 56.132 56.287 -0.078 0.000 0.974 582 K CB 0.670 33.201 32.500 0.051 0.000 0.962 582 K HN -0.252 nan 8.250 nan 0.000 0.474 583 V N 5.575 125.342 119.914 -0.245 0.000 2.481 583 V HA 0.398 4.518 4.120 0.001 0.000 0.286 583 V C 0.024 175.994 176.094 -0.207 0.000 1.042 583 V CA -0.620 61.520 62.300 -0.266 0.000 0.928 583 V CB 1.199 32.927 31.823 -0.158 0.000 0.986 583 V HN 0.683 nan 8.190 nan 0.000 0.462 584 V N 0.785 120.601 119.914 -0.164 0.000 3.182 584 V HA 0.727 4.848 4.120 0.001 0.000 0.308 584 V C -0.421 175.732 176.094 0.097 0.000 1.240 584 V CA -0.988 61.294 62.300 -0.031 0.000 1.063 584 V CB 2.066 33.877 31.823 -0.020 0.000 1.076 584 V HN 0.643 nan 8.190 nan 0.000 0.446 585 E N 0.513 120.765 120.200 0.086 0.000 2.409 585 E HA 0.423 4.774 4.350 0.001 0.000 0.257 585 E C 1.292 177.926 176.600 0.058 0.000 1.150 585 E CA 0.501 56.953 56.400 0.087 0.000 0.942 585 E CB 1.320 31.039 29.700 0.032 0.000 0.979 585 E HN 0.978 nan 8.360 nan 0.000 0.447 586 A N 1.847 124.572 122.820 -0.157 0.000 1.902 586 A HA -0.117 4.204 4.320 0.001 0.000 0.217 586 A C 1.971 179.435 177.584 -0.201 0.000 1.181 586 A CA 1.956 53.627 52.037 -0.611 0.000 0.623 586 A CB -0.844 17.711 19.000 -0.743 0.000 0.818 586 A HN 0.634 nan 8.150 nan 0.000 0.443 587 G N -0.920 107.826 108.800 -0.090 0.000 2.559 587 G HA2 0.045 4.005 3.960 0.001 0.000 0.216 587 G HA3 0.045 4.005 3.960 0.001 0.000 0.216 587 G C 1.226 176.148 174.900 0.037 0.000 1.126 587 G CA 0.886 45.974 45.100 -0.021 0.000 0.778 587 G HN 0.456 nan 8.290 nan 0.000 0.543 588 L N -1.345 119.925 121.223 0.079 0.000 2.731 588 L HA 0.355 4.696 4.340 0.001 0.000 0.240 588 L C 2.004 179.007 176.870 0.222 0.000 1.120 588 L CA -0.442 54.471 54.840 0.122 0.000 0.913 588 L CB 0.018 42.139 42.059 0.104 0.000 1.213 588 L HN 0.088 nan 8.230 nan 0.000 0.515 589 F N 1.921 121.920 119.950 0.081 0.000 2.069 589 F HA -0.256 4.272 4.527 0.001 0.000 0.298 589 F C 2.469 178.415 175.800 0.243 0.000 1.113 589 F CA 1.576 59.699 58.000 0.204 0.000 1.214 589 F CB -0.228 38.879 39.000 0.178 0.000 0.978 589 F HN 0.054 nan 8.300 nan 0.000 0.474 590 A N 0.268 123.174 122.820 0.143 0.000 1.873 590 A HA -0.162 4.158 4.320 0.001 0.000 0.218 590 A C 2.554 180.101 177.584 -0.061 0.000 1.193 590 A CA 2.112 54.138 52.037 -0.017 0.000 0.629 590 A CB -1.846 17.169 19.000 0.024 0.000 0.826 590 A HN 0.524 nan 8.150 nan 0.000 0.447 591 G N -1.733 107.077 108.800 0.015 0.000 2.476 591 G HA2 -0.325 3.635 3.960 0.001 0.000 0.218 591 G HA3 -0.325 3.635 3.960 0.001 0.000 0.218 591 G C 1.412 176.315 174.900 0.004 0.000 1.164 591 G CA 1.258 46.362 45.100 0.008 0.000 0.768 591 G HN 0.750 nan 8.290 nan 0.000 0.560 592 W N 1.068 122.287 121.300 -0.135 0.000 2.355 592 W HA -0.104 4.556 4.660 0.000 0.000 0.309 592 W C 2.460 178.835 176.519 -0.239 0.000 1.206 592 W CA 1.893 59.146 57.345 -0.153 0.000 1.284 592 W CB -0.479 28.910 29.460 -0.118 0.000 1.145 592 W HN 0.038 nan 8.180 nan 0.000 0.502 593 V N 1.618 121.281 119.914 -0.419 0.000 2.332 593 V HA -0.372 3.748 4.120 0.001 0.000 0.248 593 V C 2.529 178.309 176.094 -0.523 0.000 1.055 593 V CA 2.505 64.392 62.300 -0.689 0.000 1.038 593 V CB -1.127 30.348 31.823 -0.580 0.000 0.651 593 V HN 0.276 nan 8.190 nan 0.000 0.450 594 K N -0.338 119.859 120.400 -0.338 0.000 2.097 594 K HA -0.263 4.058 4.320 0.001 0.000 0.206 594 K C 2.287 178.741 176.600 -0.244 0.000 1.049 594 K CA 1.923 58.063 56.287 -0.245 0.000 0.933 594 K CB -0.126 32.278 32.500 -0.160 0.000 0.717 594 K HN 0.570 nan 8.250 nan 0.000 0.442 595 Q N 0.381 120.016 119.800 -0.275 0.000 2.016 595 Q HA -0.166 4.175 4.340 0.001 0.000 0.200 595 Q C 2.104 177.928 176.000 -0.293 0.000 0.978 595 Q CA 1.480 57.141 55.803 -0.237 0.000 0.833 595 Q CB -0.093 28.532 28.738 -0.189 0.000 0.895 595 Q HN 0.342 nan 8.270 nan 0.000 0.427 596 I N 0.130 120.375 120.570 -0.542 0.000 2.493 596 I HA -0.173 3.997 4.170 0.001 0.000 0.254 596 I C 1.870 177.852 176.117 -0.225 0.000 1.160 596 I CA 0.807 61.820 61.300 -0.478 0.000 1.445 596 I CB -0.042 37.393 38.000 -0.942 0.000 1.086 596 I HN 0.065 nan 8.210 nan 0.000 0.433 597 V N 0.777 120.520 119.914 -0.285 0.000 2.379 597 V HA -0.243 3.878 4.120 0.001 0.000 0.245 597 V C 2.298 178.368 176.094 -0.040 0.000 1.044 597 V CA 1.990 64.197 62.300 -0.154 0.000 1.036 597 V CB -1.051 30.634 31.823 -0.231 0.000 0.664 597 V HN 0.538 nan 8.190 nan 0.000 0.453 598 N N 0.701 119.345 118.700 -0.093 0.000 2.104 598 N HA -0.210 4.530 4.740 0.001 0.000 0.190 598 N C 1.414 176.901 175.510 -0.038 0.000 1.024 598 N CA 1.993 55.005 53.050 -0.063 0.000 0.853 598 N CB -0.228 38.208 38.487 -0.086 0.000 1.008 598 N HN 0.445 nan 8.380 nan 0.000 0.424 599 D N -0.588 119.801 120.400 -0.020 0.000 2.117 599 D HA -0.150 4.491 4.640 0.001 0.000 0.197 599 D C 1.535 177.795 176.300 -0.067 0.000 0.987 599 D CA 0.754 54.757 54.000 0.005 0.000 0.829 599 D CB -0.569 40.308 40.800 0.129 0.000 0.961 599 D HN 0.360 nan 8.370 nan 0.000 0.460 600 F N 1.160 121.052 119.950 -0.097 0.000 2.095 600 F HA -0.251 4.278 4.527 0.003 0.000 0.298 600 F C 2.157 177.751 175.800 -0.343 0.000 1.104 600 F CA 1.173 59.015 58.000 -0.263 0.000 1.232 600 F CB -0.156 38.842 39.000 -0.003 0.000 0.987 600 F HN -0.187 nan 8.300 nan 0.000 0.475 601 V N 0.873 120.820 119.914 0.054 0.000 2.295 601 V HA -0.325 3.796 4.120 0.001 0.000 0.246 601 V C 2.409 178.387 176.094 -0.193 0.000 1.049 601 V CA 2.152 64.442 62.300 -0.017 0.000 1.024 601 V CB -0.628 31.216 31.823 0.035 0.000 0.648 601 V HN 0.384 nan 8.190 nan 0.000 0.447 602 I N -0.295 120.154 120.570 -0.201 0.000 2.163 602 I HA -0.229 3.942 4.170 0.001 0.000 0.243 602 I C 2.718 178.628 176.117 -0.344 0.000 1.085 602 I CA 1.532 62.705 61.300 -0.212 0.000 1.347 602 I CB -0.463 37.439 38.000 -0.163 0.000 1.044 602 I HN 0.349 nan 8.210 nan 0.000 0.408 603 E N 0.875 120.705 120.200 -0.615 0.000 2.077 603 E HA -0.215 4.135 4.350 0.001 0.000 0.193 603 E C 2.315 178.346 176.600 -0.949 0.000 0.989 603 E CA 1.543 57.358 56.400 -0.974 0.000 0.800 603 E CB -0.277 28.318 29.700 -1.843 0.000 0.746 603 E HN 0.525 nan 8.360 nan 0.000 0.452 604 A N 1.780 124.023 122.820 -0.962 0.000 1.930 604 A HA -0.137 4.184 4.320 0.001 0.000 0.217 604 A C 1.871 179.422 177.584 -0.056 0.000 1.175 604 A CA 1.086 52.867 52.037 -0.426 0.000 0.627 604 A CB -0.512 18.279 19.000 -0.348 0.000 0.815 604 A HN 0.188 nan 8.150 nan 0.000 0.443 605 N N -0.331 118.295 118.700 -0.122 0.000 2.571 605 N HA -0.057 4.683 4.740 0.001 0.000 0.189 605 N C 0.955 176.448 175.510 -0.029 0.000 1.154 605 N CA 0.442 53.466 53.050 -0.043 0.000 0.907 605 N CB -0.047 38.405 38.487 -0.058 0.000 0.977 605 N HN 0.512 nan 8.380 nan 0.000 0.449 606 K N 0.646 121.045 120.400 -0.003 0.000 2.515 606 K HA -0.017 4.303 4.320 0.001 0.000 0.196 606 K C 1.805 178.373 176.600 -0.053 0.000 1.038 606 K CA 0.480 56.766 56.287 -0.001 0.000 0.967 606 K CB 0.092 32.621 32.500 0.048 0.000 0.780 606 K HN 0.159 nan 8.250 nan 0.000 0.483 607 S N 1.268 116.947 115.700 -0.036 0.000 2.547 607 S HA -0.103 4.367 4.470 0.001 0.000 0.235 607 S C 0.967 175.464 174.600 -0.171 0.000 0.980 607 S CA 0.920 58.992 58.200 -0.214 0.000 0.941 607 S CB -0.413 62.729 63.200 -0.098 0.000 0.763 607 S HN 0.371 nan 8.310 nan 0.000 0.532 608 N N 0.602 119.240 118.700 -0.104 0.000 2.321 608 N HA 0.137 4.877 4.740 0.001 0.000 0.242 608 N C -0.610 174.840 175.510 -0.099 0.000 1.141 608 N CA -0.290 52.708 53.050 -0.086 0.000 0.864 608 N CB -0.348 38.109 38.487 -0.050 0.000 1.100 608 N HN 0.030 nan 8.380 nan 0.000 0.510 609 T N 1.191 115.663 114.554 -0.135 0.000 2.919 609 T HA 0.204 4.555 4.350 0.001 0.000 0.302 609 T C 0.357 174.988 174.700 -0.114 0.000 1.031 609 T CA 0.060 62.088 62.100 -0.120 0.000 1.127 609 T CB 0.599 69.389 68.868 -0.131 0.000 0.952 609 T HN 0.196 nan 8.240 nan 0.000 0.540 610 M N 2.202 121.749 119.600 -0.089 0.000 2.598 610 M HA 0.383 4.863 4.480 0.001 0.000 0.317 610 M C -0.081 176.180 176.300 -0.065 0.000 1.201 610 M CA -0.528 54.727 55.300 -0.075 0.000 0.971 610 M CB 1.385 33.939 32.600 -0.077 0.000 1.657 610 M HN 0.465 nan 8.290 nan 0.000 0.470 611 D N 0.294 120.667 120.400 -0.045 0.000 3.078 611 D HA 0.169 4.809 4.640 0.001 0.000 0.363 611 D C 0.550 176.833 176.300 -0.028 0.000 1.391 611 D CA 0.006 53.989 54.000 -0.028 0.000 0.754 611 D CB 0.449 41.249 40.800 0.001 0.000 1.238 611 D HN 0.282 nan 8.370 nan 0.000 0.500 612 K N 0.255 120.625 120.400 -0.051 0.000 2.074 612 K HA -0.134 4.187 4.320 0.001 0.000 0.209 612 K C 1.783 178.340 176.600 -0.071 0.000 1.048 612 K CA 0.691 56.944 56.287 -0.057 0.000 0.926 612 K CB -0.141 32.314 32.500 -0.074 0.000 0.713 612 K HN 0.368 nan 8.250 nan 0.000 0.444 613 I N 0.928 121.452 120.570 -0.076 0.000 2.423 613 I HA -0.189 3.982 4.170 0.001 0.000 0.254 613 I C 1.442 177.470 176.117 -0.148 0.000 1.151 613 I CA 1.152 62.385 61.300 -0.112 0.000 1.421 613 I CB -0.219 37.751 38.000 -0.051 0.000 1.079 613 I HN 0.078 nan 8.210 nan 0.000 0.431 614 A N -0.748 122.028 122.820 -0.074 0.000 2.460 614 A HA 0.188 4.508 4.320 0.001 0.000 0.258 614 A C 0.561 178.118 177.584 -0.045 0.000 1.300 614 A CA 0.255 52.261 52.037 -0.052 0.000 0.913 614 A CB -0.403 18.598 19.000 0.002 0.000 1.031 614 A HN 0.462 nan 8.150 nan 0.000 0.512 615 D N -0.558 119.808 120.400 -0.058 0.000 2.723 615 D HA -0.153 4.487 4.640 0.001 0.000 0.236 615 D C -0.411 175.888 176.300 -0.003 0.000 1.138 615 D CA 1.153 55.131 54.000 -0.036 0.000 0.676 615 D CB -1.226 39.540 40.800 -0.056 0.000 1.069 615 D HN 0.573 nan 8.370 nan 0.000 0.430 616 I N 0.403 120.986 120.570 0.022 0.000 2.468 616 I HA 0.075 4.245 4.170 0.001 0.000 0.284 616 I C 1.316 177.459 176.117 0.043 0.000 1.038 616 I CA -0.508 60.838 61.300 0.076 0.000 1.083 616 I CB 1.863 39.958 38.000 0.159 0.000 1.223 616 I HN -0.257 nan 8.210 nan 0.000 0.443 617 S N 4.751 120.473 115.700 0.037 0.000 2.368 617 S HA 0.018 4.489 4.470 0.001 0.000 0.224 617 S C 0.306 174.911 174.600 0.008 0.000 1.029 617 S CA 0.891 59.097 58.200 0.011 0.000 0.988 617 S CB 0.018 63.221 63.200 0.006 0.000 0.838 617 S HN 0.457 nan 8.310 nan 0.000 0.462 618 L N 0.482 121.733 121.223 0.047 0.000 2.386 618 L HA 0.786 5.127 4.340 0.001 0.000 0.271 618 L C -1.338 175.494 176.870 -0.063 0.000 0.993 618 L CA -0.732 54.113 54.840 0.009 0.000 0.819 618 L CB 1.892 43.997 42.059 0.077 0.000 1.294 618 L HN 0.131 nan 8.230 nan 0.000 0.414 619 I N 4.229 124.600 120.570 -0.331 0.000 2.680 619 I HA 0.490 4.661 4.170 0.001 0.000 0.291 619 I C -1.531 174.115 176.117 -0.785 0.000 1.244 619 I CA -0.270 60.591 61.300 -0.731 0.000 1.042 619 I CB 2.309 40.085 38.000 -0.374 0.000 1.277 619 I HN 0.259 nan 8.210 nan 0.000 0.423 620 V N 10.703 129.892 119.914 -1.209 0.000 2.270 620 V HA 0.347 4.467 4.120 0.001 0.000 0.263 620 V C -1.402 174.270 176.094 -0.704 0.000 1.066 620 V CA -0.976 60.782 62.300 -0.904 0.000 0.857 620 V CB 0.687 31.959 31.823 -0.918 0.000 1.099 620 V HN 0.709 nan 8.190 nan 0.000 0.476 621 P HA -0.188 nan 4.420 nan 0.000 0.218 621 P C 0.965 178.203 177.300 -0.104 0.000 1.146 621 P CA 1.546 64.582 63.100 -0.107 0.000 0.813 621 P CB 0.056 31.743 31.700 -0.022 0.000 0.778 622 Y N -2.716 117.513 120.300 -0.118 0.000 2.466 622 Y HA 0.318 4.868 4.550 0.001 0.000 0.272 622 Y C 2.134 177.823 175.900 -0.352 0.000 1.169 622 Y CA -0.975 57.066 58.100 -0.098 0.000 1.285 622 Y CB -1.587 36.973 38.460 0.168 0.000 1.078 622 Y HN -0.205 nan 8.280 nan 0.000 0.523 623 I N 1.186 121.411 120.570 -0.574 0.000 2.208 623 I HA -0.238 3.933 4.170 0.001 0.000 0.245 623 I C 2.644 178.418 176.117 -0.571 0.000 1.097 623 I CA 1.719 62.669 61.300 -0.584 0.000 1.363 623 I CB -0.761 36.860 38.000 -0.631 0.000 1.051 623 I HN 0.521 nan 8.210 nan 0.000 0.413 624 G N 1.043 109.345 108.800 -0.830 0.000 2.446 624 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 624 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 624 G C 1.728 176.521 174.900 -0.178 0.000 1.168 624 G CA 0.469 45.317 45.100 -0.420 0.000 0.771 624 G HN 0.264 nan 8.290 nan 0.000 0.551 625 L N 0.562 121.766 121.223 -0.031 0.000 2.083 625 L HA -0.056 4.284 4.340 0.001 0.000 0.209 625 L C 3.419 180.489 176.870 0.333 0.000 1.083 625 L CA 0.966 55.947 54.840 0.235 0.000 0.752 625 L CB -0.362 41.894 42.059 0.328 0.000 0.899 625 L HN 0.330 nan 8.230 nan 0.000 0.433 626 A N -0.155 122.608 122.820 -0.096 0.000 1.902 626 A HA -0.115 4.205 4.320 0.001 0.000 0.217 626 A C 2.036 179.627 177.584 0.013 0.000 1.181 626 A CA 1.613 53.388 52.037 -0.438 0.000 0.623 626 A CB -0.266 17.984 19.000 -1.249 0.000 0.818 626 A HN 0.446 nan 8.150 nan 0.000 0.443 627 L N -3.372 117.787 121.223 -0.106 0.000 2.766 627 L HA 0.237 4.578 4.340 0.001 0.000 0.241 627 L C 0.777 177.387 176.870 -0.432 0.000 1.080 627 L CA 0.437 55.204 54.840 -0.121 0.000 0.909 627 L CB 0.005 41.976 42.059 -0.146 0.000 1.277 627 L HN 0.408 nan 8.230 nan 0.000 0.510 628 N N 0.843 119.202 118.700 -0.568 0.000 2.721 628 N HA -0.190 4.550 4.740 0.001 0.000 0.249 628 N C -0.366 174.887 175.510 -0.428 0.000 1.072 628 N CA 0.555 53.180 53.050 -0.709 0.000 0.710 628 N CB -1.017 36.504 38.487 -1.611 0.000 0.993 628 N HN 0.169 nan 8.380 nan 0.000 0.547 629 V N -0.254 119.497 119.914 -0.271 0.000 2.953 629 V HA 0.679 4.799 4.120 0.001 0.000 0.304 629 V C 1.658 177.658 176.094 -0.156 0.000 1.073 629 V CA 1.048 63.231 62.300 -0.194 0.000 1.064 629 V CB 0.825 32.588 31.823 -0.101 0.000 1.047 629 V HN 0.935 nan 8.190 nan 0.000 0.478 630 G N 4.584 113.249 108.800 -0.224 0.000 2.527 630 G HA2 -0.308 3.652 3.960 0.001 0.000 0.268 630 G HA3 -0.308 3.652 3.960 0.001 0.000 0.268 630 G C 0.219 175.040 174.900 -0.130 0.000 1.175 630 G CA 0.443 45.429 45.100 -0.190 0.000 0.962 630 G HN 1.145 nan 8.290 nan 0.000 0.560 631 N N 2.845 121.509 118.700 -0.060 0.000 2.895 631 N HA 0.256 4.996 4.740 0.001 0.000 0.277 631 N C 0.481 175.984 175.510 -0.013 0.000 1.185 631 N CA 0.655 53.685 53.050 -0.033 0.000 1.106 631 N CB -0.647 37.831 38.487 -0.015 0.000 1.422 631 N HN 0.501 nan 8.380 nan 0.000 0.521 632 E N 0.028 120.200 120.200 -0.046 0.000 2.199 632 E HA -0.224 4.126 4.350 0.001 0.000 0.208 632 E C 0.417 177.010 176.600 -0.012 0.000 1.310 632 E CA 0.938 57.307 56.400 -0.051 0.000 0.709 632 E CB -1.649 28.042 29.700 -0.015 0.000 1.127 632 E HN 0.728 nan 8.360 nan 0.000 0.354 633 T N -3.710 110.842 114.554 -0.004 0.000 3.155 633 T HA 0.164 4.514 4.350 0.001 0.000 0.264 633 T C 1.614 176.365 174.700 0.085 0.000 1.160 633 T CA 0.749 62.928 62.100 0.132 0.000 1.075 633 T CB 0.223 69.214 68.868 0.205 0.000 0.921 633 T HN 0.330 nan 8.240 nan 0.000 0.533 634 A N 0.992 123.781 122.820 -0.051 0.000 2.081 634 A HA 0.275 4.596 4.320 0.001 0.000 0.214 634 A C 1.106 178.747 177.584 0.094 0.000 1.158 634 A CA 0.023 52.057 52.037 -0.005 0.000 0.724 634 A CB -0.043 18.871 19.000 -0.143 0.000 0.826 634 A HN 0.488 nan 8.150 nan 0.000 0.463 635 K N -0.008 120.436 120.400 0.073 0.000 2.174 635 K HA 0.469 4.790 4.320 0.001 0.000 0.275 635 K C 0.782 177.448 176.600 0.110 0.000 1.015 635 K CA 0.418 56.762 56.287 0.094 0.000 0.933 635 K CB 0.898 33.440 32.500 0.069 0.000 1.025 635 K HN 0.502 nan 8.250 nan 0.000 0.463 636 G N 2.420 111.287 108.800 0.111 0.000 2.598 636 G HA2 -0.292 3.669 3.960 0.001 0.000 0.244 636 G HA3 -0.292 3.669 3.960 0.001 0.000 0.244 636 G C -0.701 174.279 174.900 0.132 0.000 1.302 636 G CA -0.614 44.550 45.100 0.107 0.000 0.903 636 G HN 0.706 nan 8.290 nan 0.000 0.575 637 N N 0.387 119.158 118.700 0.119 0.000 2.426 637 N HA 0.383 5.123 4.740 0.001 0.000 0.257 637 N C 1.105 176.709 175.510 0.156 0.000 1.002 637 N CA -0.120 53.013 53.050 0.138 0.000 0.942 637 N CB 0.858 39.405 38.487 0.101 0.000 1.112 637 N HN 0.480 nan 8.380 nan 0.000 0.499 638 F N 4.129 124.120 119.950 0.069 0.000 2.102 638 F HA -0.137 4.387 4.527 -0.006 0.000 0.298 638 F C 2.281 178.144 175.800 0.104 0.000 1.105 638 F CA 1.708 59.752 58.000 0.075 0.000 1.239 638 F CB -0.046 38.977 39.000 0.038 0.000 0.991 638 F HN 0.688 nan 8.300 nan 0.000 0.474 639 E N 0.041 120.265 120.200 0.040 0.000 2.097 639 E HA -0.348 4.002 4.350 0.001 0.000 0.196 639 E C 2.071 178.658 176.600 -0.022 0.000 1.000 639 E CA 1.716 58.100 56.400 -0.026 0.000 0.804 639 E CB -0.432 29.293 29.700 0.042 0.000 0.740 639 E HN 0.513 nan 8.360 nan 0.000 0.454 640 N N 0.037 118.738 118.700 0.002 0.000 2.084 640 N HA -0.160 4.580 4.740 0.001 0.000 0.190 640 N C 1.649 177.139 175.510 -0.034 0.000 1.030 640 N CA 1.907 54.962 53.050 0.007 0.000 0.849 640 N CB -0.339 38.167 38.487 0.032 0.000 1.012 640 N HN 0.231 nan 8.380 nan 0.000 0.423 641 A N -0.823 121.956 122.820 -0.068 0.000 1.972 641 A HA -0.069 4.251 4.320 0.001 0.000 0.219 641 A C 2.093 179.588 177.584 -0.148 0.000 1.169 641 A CA 1.008 52.989 52.037 -0.093 0.000 0.635 641 A CB -1.047 17.912 19.000 -0.069 0.000 0.810 641 A HN 0.506 nan 8.150 nan 0.000 0.446 642 F N 0.732 120.447 119.950 -0.391 0.000 2.234 642 F HA -0.027 4.494 4.527 -0.011 0.000 0.296 642 F C 2.097 177.806 175.800 -0.151 0.000 1.089 642 F CA 1.716 59.514 58.000 -0.337 0.000 1.343 642 F CB -0.148 38.562 39.000 -0.484 0.000 1.040 642 F HN 0.332 nan 8.300 nan 0.000 0.498 643 E N 0.242 120.404 120.200 -0.063 0.000 2.204 643 E HA -0.195 4.155 4.350 0.001 0.000 0.195 643 E C 2.245 178.757 176.600 -0.147 0.000 0.990 643 E CA 1.493 57.845 56.400 -0.079 0.000 0.821 643 E CB -0.099 29.602 29.700 0.002 0.000 0.750 643 E HN 0.495 nan 8.360 nan 0.000 0.477 644 I N 0.100 120.585 120.570 -0.142 0.000 2.296 644 I HA -0.098 4.072 4.170 0.001 0.000 0.242 644 I C 2.194 178.211 176.117 -0.166 0.000 1.087 644 I CA 0.866 62.092 61.300 -0.124 0.000 1.393 644 I CB 0.009 37.959 38.000 -0.083 0.000 1.093 644 I HN 0.032 nan 8.210 nan 0.000 0.421 645 A N 0.091 122.792 122.820 -0.198 0.000 2.252 645 A HA 0.465 4.786 4.320 0.001 0.000 0.213 645 A C 1.306 178.721 177.584 -0.281 0.000 1.188 645 A CA 0.605 52.531 52.037 -0.185 0.000 0.863 645 A CB -0.375 18.561 19.000 -0.108 0.000 0.893 645 A HN 0.501 nan 8.150 nan 0.000 0.495 646 G N -0.937 107.519 108.800 -0.574 0.000 2.601 646 G HA2 0.031 3.991 3.960 0.001 0.000 0.252 646 G HA3 0.031 3.991 3.960 0.001 0.000 0.252 646 G C 1.233 175.858 174.900 -0.459 0.000 1.294 646 G CA 0.658 45.197 45.100 -0.935 0.000 0.912 646 G HN 1.451 nan 8.290 nan 0.000 0.574 647 A N -1.098 121.665 122.820 -0.095 0.000 1.958 647 A HA -0.030 4.291 4.320 0.001 0.000 0.221 647 A C 2.805 180.609 177.584 0.368 0.000 1.178 647 A CA 3.401 55.648 52.037 0.349 0.000 0.642 647 A CB -0.996 18.212 19.000 0.348 0.000 0.816 647 A HN 1.715 nan 8.150 nan 0.000 0.453 648 S N 0.097 115.949 115.700 0.253 0.000 2.407 648 S HA -0.252 4.218 4.470 0.001 0.000 0.235 648 S C 1.773 176.422 174.600 0.083 0.000 1.036 648 S CA 1.714 60.022 58.200 0.179 0.000 1.013 648 S CB -0.888 62.410 63.200 0.163 0.000 0.820 648 S HN 0.852 nan 8.310 nan 0.000 0.476 649 I N -1.098 119.536 120.570 0.106 0.000 2.614 649 I HA -0.050 4.120 4.170 0.001 0.000 0.258 649 I C 1.770 177.973 176.117 0.144 0.000 1.189 649 I CA 1.320 62.682 61.300 0.103 0.000 1.462 649 I CB -0.390 37.681 38.000 0.119 0.000 1.092 649 I HN 0.169 nan 8.210 nan 0.000 0.442 650 L N 0.934 122.296 121.223 0.232 0.000 2.341 650 L HA 0.169 4.509 4.340 0.001 0.000 0.214 650 L C 1.115 177.967 176.870 -0.030 0.000 1.115 650 L CA 0.130 55.101 54.840 0.218 0.000 0.820 650 L CB -0.098 42.237 42.059 0.460 0.000 0.944 650 L HN 0.213 nan 8.230 nan 0.000 0.452 651 L N 0.684 121.805 121.223 -0.171 0.000 2.455 651 L HA -0.066 4.275 4.340 0.001 0.000 0.272 651 L C 1.447 178.081 176.870 -0.395 0.000 1.174 651 L CA -0.087 54.516 54.840 -0.395 0.000 0.869 651 L CB 0.705 42.489 42.059 -0.458 0.000 1.130 651 L HN 0.045 nan 8.230 nan 0.000 0.474 652 E N 2.552 122.379 120.200 -0.621 0.000 2.208 652 E HA -0.056 4.295 4.350 0.001 0.000 0.193 652 E C -0.569 175.654 176.600 -0.629 0.000 0.988 652 E CA 0.869 56.712 56.400 -0.929 0.000 0.828 652 E CB 0.262 28.795 29.700 -1.945 0.000 0.763 652 E HN 0.392 nan 8.360 nan 0.000 0.478 653 F N -0.141 119.493 119.950 -0.528 0.000 2.604 653 F HA 0.355 4.886 4.527 0.006 0.000 0.316 653 F C -1.467 174.225 175.800 -0.181 0.000 1.136 653 F CA -1.190 56.677 58.000 -0.222 0.000 0.989 653 F CB 1.098 40.094 39.000 -0.006 0.000 1.258 653 F HN -0.312 nan 8.300 nan 0.000 0.451 654 I N 6.712 126.881 120.570 -0.669 0.000 2.312 654 I HA 0.304 4.474 4.170 0.001 0.000 0.291 654 I C -2.276 173.439 176.117 -0.669 0.000 1.031 654 I CA -2.266 58.754 61.300 -0.467 0.000 1.293 654 I CB 0.739 38.564 38.000 -0.292 0.000 1.403 654 I HN 0.390 nan 8.210 nan 0.000 0.484 655 P HA 0.236 nan 4.420 nan 0.000 0.278 655 P C -0.588 176.709 177.300 -0.005 0.000 1.238 655 P CA -0.484 62.627 63.100 0.017 0.000 0.794 655 P CB 0.697 32.502 31.700 0.176 0.000 0.955 656 E N 2.014 122.245 120.200 0.052 0.000 2.052 656 E HA 0.173 4.523 4.350 0.001 0.000 0.283 656 E C -0.184 176.448 176.600 0.053 0.000 1.071 656 E CA -0.309 56.112 56.400 0.034 0.000 0.851 656 E CB 0.163 29.898 29.700 0.059 0.000 1.066 656 E HN 0.345 nan 8.360 nan 0.000 0.396 657 L N 3.254 124.484 121.223 0.012 0.000 2.452 657 L HA 0.148 4.488 4.340 0.001 0.000 0.267 657 L C 0.077 176.937 176.870 -0.016 0.000 1.188 657 L CA -0.597 54.229 54.840 -0.023 0.000 0.821 657 L CB 0.225 42.250 42.059 -0.056 0.000 1.102 657 L HN 0.386 nan 8.230 nan 0.000 0.470 658 L N 4.695 125.896 121.223 -0.035 0.000 2.259 658 L HA 0.427 4.767 4.340 0.001 0.000 0.288 658 L C -0.467 176.376 176.870 -0.045 0.000 1.051 658 L CA 0.474 55.317 54.840 0.004 0.000 0.824 658 L CB 0.149 42.260 42.059 0.087 0.000 1.206 658 L HN 0.356 nan 8.230 nan 0.000 0.429 659 I N 7.947 128.493 120.570 -0.041 0.000 2.698 659 I HA 0.305 4.475 4.170 0.001 0.000 0.276 659 I C -2.126 173.960 176.117 -0.052 0.000 1.166 659 I CA -1.402 59.859 61.300 -0.066 0.000 1.101 659 I CB 1.133 39.087 38.000 -0.078 0.000 1.305 659 I HN 0.499 nan 8.210 nan 0.000 0.526 660 P HA 0.128 nan 4.420 nan 0.000 0.272 660 P C -0.230 177.037 177.300 -0.055 0.000 1.230 660 P CA -0.155 62.923 63.100 -0.037 0.000 0.788 660 P CB 1.518 33.202 31.700 -0.027 0.000 0.949 661 V N 2.524 122.419 119.914 -0.032 0.000 2.427 661 V HA 0.014 4.134 4.120 0.001 0.000 0.268 661 V C 0.839 176.911 176.094 -0.036 0.000 1.046 661 V CA -0.521 61.765 62.300 -0.023 0.000 0.970 661 V CB 0.816 32.644 31.823 0.007 0.000 1.001 661 V HN 0.273 nan 8.190 nan 0.000 0.476 662 V N 5.176 125.038 119.914 -0.088 0.000 2.644 662 V HA 0.130 4.250 4.120 0.001 0.000 0.305 662 V C 1.396 177.476 176.094 -0.023 0.000 1.053 662 V CA 0.517 62.701 62.300 -0.193 0.000 1.186 662 V CB 0.194 31.617 31.823 -0.667 0.000 0.895 662 V HN 1.031 nan 8.190 nan 0.000 0.490 663 G N 3.425 112.231 108.800 0.010 0.000 2.630 663 G HA2 0.413 4.373 3.960 0.001 0.000 0.236 663 G HA3 0.413 4.373 3.960 0.001 0.000 0.236 663 G C 0.257 175.311 174.900 0.255 0.000 1.248 663 G CA 0.070 45.239 45.100 0.114 0.000 0.844 663 G HN 1.277 nan 8.290 nan 0.000 0.588 664 A N 0.801 123.764 122.820 0.237 0.000 2.401 664 A HA 0.575 4.895 4.320 0.001 0.000 0.259 664 A C -0.471 177.374 177.584 0.436 0.000 1.103 664 A CA -0.409 51.799 52.037 0.284 0.000 0.789 664 A CB 0.179 19.277 19.000 0.164 0.000 1.035 664 A HN 0.428 nan 8.150 nan 0.000 0.491 665 F N 1.383 121.412 119.950 0.132 0.000 2.427 665 F HA 0.367 4.895 4.527 0.001 0.000 0.352 665 F C 0.266 176.081 175.800 0.026 0.000 1.100 665 F CA -0.663 57.386 58.000 0.081 0.000 1.191 665 F CB 0.961 40.015 39.000 0.090 0.000 1.128 665 F HN 0.318 nan 8.300 nan 0.000 0.533 666 L N 5.739 127.039 121.223 0.129 0.000 2.301 666 L HA 0.344 4.684 4.340 0.001 0.000 0.278 666 L C -0.805 176.062 176.870 -0.006 0.000 1.022 666 L CA -0.689 54.186 54.840 0.058 0.000 0.854 666 L CB 0.717 42.797 42.059 0.035 0.000 1.226 666 L HN 0.317 nan 8.230 nan 0.000 0.429 667 L N 2.793 123.992 121.223 -0.039 0.000 2.349 667 L HA 0.250 4.590 4.340 0.001 0.000 0.275 667 L C 0.401 177.241 176.870 -0.049 0.000 1.115 667 L CA 0.052 54.792 54.840 -0.166 0.000 0.820 667 L CB 0.641 42.325 42.059 -0.625 0.000 1.135 667 L HN 0.407 nan 8.230 nan 0.000 0.445 668 E N 1.468 121.629 120.200 -0.066 0.000 2.152 668 E HA 0.307 4.658 4.350 0.001 0.000 0.285 668 E C -0.714 175.698 176.600 -0.312 0.000 1.043 668 E CA 0.062 56.368 56.400 -0.157 0.000 0.839 668 E CB 0.758 30.367 29.700 -0.153 0.000 1.069 668 E HN 0.581 nan 8.360 nan 0.000 0.399 669 S N 3.390 118.955 115.700 -0.226 0.000 2.632 669 S HA 0.399 4.870 4.470 0.001 0.000 0.271 669 S C -0.975 173.264 174.600 -0.600 0.000 1.260 669 S CA -0.331 57.755 58.200 -0.189 0.000 1.010 669 S CB 0.333 63.523 63.200 -0.016 0.000 0.965 669 S HN 0.460 nan 8.310 nan 0.000 0.534 670 Y N 1.382 121.724 120.300 0.070 0.000 2.541 670 Y HA 0.323 4.873 4.550 0.000 0.000 0.350 670 Y C 0.330 176.103 175.900 -0.212 0.000 1.075 670 Y CA -0.947 57.128 58.100 -0.042 0.000 1.302 670 Y CB 0.083 38.527 38.460 -0.025 0.000 1.094 670 Y HN 0.574 nan 8.280 nan 0.000 0.579 671 I N -0.601 119.802 120.570 -0.279 0.000 2.906 671 I HA -0.005 4.165 4.170 0.001 0.000 0.302 671 I C 0.141 175.808 176.117 -0.750 0.000 1.220 671 I CA 0.411 61.135 61.300 -0.960 0.000 1.441 671 I CB 0.556 38.158 38.000 -0.663 0.000 1.336 671 I HN 0.642 nan 8.210 nan 0.000 0.565 672 D N 2.422 122.233 120.400 -0.982 0.000 3.012 672 D HA -0.241 4.400 4.640 0.001 0.000 0.222 672 D C -0.277 175.934 176.300 -0.149 0.000 1.167 672 D CA 1.150 54.954 54.000 -0.326 0.000 0.854 672 D CB -1.258 39.405 40.800 -0.228 0.000 1.107 672 D HN 0.807 nan 8.370 nan 0.000 0.421 673 N N 0.353 118.983 118.700 -0.116 0.000 2.800 673 N HA 0.111 4.851 4.740 0.001 0.000 0.240 673 N C 0.976 176.498 175.510 0.020 0.000 1.096 673 N CA -0.303 52.718 53.050 -0.048 0.000 0.877 673 N CB 0.942 39.403 38.487 -0.045 0.000 1.138 673 N HN 0.141 nan 8.380 nan 0.000 0.509 674 K N 2.624 123.040 120.400 0.026 0.000 2.009 674 K HA -0.153 4.167 4.320 0.001 0.000 0.210 674 K C 0.885 177.521 176.600 0.061 0.000 1.049 674 K CA 1.706 58.031 56.287 0.063 0.000 0.929 674 K CB 0.293 32.823 32.500 0.051 0.000 0.714 674 K HN 0.348 nan 8.250 nan 0.000 0.440 675 N N 0.849 119.556 118.700 0.011 0.000 2.013 675 N HA -0.165 4.576 4.740 0.001 0.000 0.195 675 N C 1.553 177.071 175.510 0.013 0.000 1.051 675 N CA 1.756 54.810 53.050 0.006 0.000 0.851 675 N CB -0.159 38.302 38.487 -0.042 0.000 1.044 675 N HN 0.161 nan 8.380 nan 0.000 0.422 676 K N 0.254 120.588 120.400 -0.110 0.000 2.160 676 K HA -0.108 4.212 4.320 0.001 0.000 0.206 676 K C 1.887 178.595 176.600 0.180 0.000 1.047 676 K CA 0.977 57.154 56.287 -0.183 0.000 0.930 676 K CB -0.276 31.691 32.500 -0.889 0.000 0.720 676 K HN 0.279 nan 8.250 nan 0.000 0.450 677 I N 0.590 121.329 120.570 0.282 0.000 2.353 677 I HA -0.220 3.950 4.170 0.001 0.000 0.248 677 I C 2.170 178.493 176.117 0.345 0.000 1.119 677 I CA 0.917 62.476 61.300 0.433 0.000 1.417 677 I CB -0.131 38.072 38.000 0.338 0.000 1.078 677 I HN 0.116 nan 8.210 nan 0.000 0.421 678 I N 0.838 121.545 120.570 0.229 0.000 2.202 678 I HA -0.274 3.897 4.170 0.001 0.000 0.242 678 I C 2.478 178.700 176.117 0.175 0.000 1.091 678 I CA 1.396 62.811 61.300 0.190 0.000 1.368 678 I CB -0.333 37.758 38.000 0.151 0.000 1.058 678 I HN 0.163 nan 8.210 nan 0.000 0.410 679 K N 0.424 120.926 120.400 0.170 0.000 1.991 679 K HA -0.173 4.147 4.320 0.001 0.000 0.212 679 K C 2.073 178.769 176.600 0.160 0.000 1.049 679 K CA 2.107 58.489 56.287 0.157 0.000 0.932 679 K CB -0.637 31.975 32.500 0.186 0.000 0.717 679 K HN 0.235 nan 8.250 nan 0.000 0.441 680 T N 1.947 116.634 114.554 0.222 0.000 2.680 680 T HA -0.196 4.154 4.350 0.001 0.000 0.268 680 T C 1.922 176.665 174.700 0.072 0.000 1.033 680 T CA 1.553 63.755 62.100 0.171 0.000 1.152 680 T CB -0.300 68.717 68.868 0.248 0.000 0.859 680 T HN 0.166 nan 8.240 nan 0.000 0.452 681 I N 0.959 121.594 120.570 0.109 0.000 2.163 681 I HA -0.150 4.021 4.170 0.001 0.000 0.240 681 I C 2.363 178.527 176.117 0.077 0.000 1.081 681 I CA 1.305 62.653 61.300 0.080 0.000 1.353 681 I CB -0.364 37.718 38.000 0.137 0.000 1.054 681 I HN 0.161 nan 8.210 nan 0.000 0.407 682 D N 0.746 121.199 120.400 0.087 0.000 2.218 682 D HA -0.156 4.484 4.640 0.001 0.000 0.204 682 D C 1.684 178.030 176.300 0.076 0.000 0.976 682 D CA 1.259 55.304 54.000 0.074 0.000 0.853 682 D CB -0.456 40.391 40.800 0.078 0.000 0.939 682 D HN 0.527 nan 8.370 nan 0.000 0.481 683 N N 0.328 119.073 118.700 0.076 0.000 2.333 683 N HA -0.008 4.732 4.740 0.001 0.000 0.178 683 N C 1.811 177.374 175.510 0.088 0.000 1.018 683 N CA 0.526 53.614 53.050 0.063 0.000 0.882 683 N CB 0.172 38.679 38.487 0.034 0.000 0.984 683 N HN 0.037 nan 8.380 nan 0.000 0.434 684 A N 0.996 123.885 122.820 0.114 0.000 2.014 684 A HA 0.016 4.336 4.320 0.001 0.000 0.218 684 A C 2.035 179.805 177.584 0.310 0.000 1.163 684 A CA 0.708 52.897 52.037 0.253 0.000 0.652 684 A CB -0.354 18.787 19.000 0.235 0.000 0.808 684 A HN 0.152 nan 8.150 nan 0.000 0.449 685 L N -0.279 121.044 121.223 0.167 0.000 2.131 685 L HA -0.104 4.236 4.340 0.001 0.000 0.206 685 L C 2.885 179.838 176.870 0.138 0.000 1.087 685 L CA 1.699 56.612 54.840 0.121 0.000 0.767 685 L CB -0.726 41.368 42.059 0.058 0.000 0.917 685 L HN 0.590 nan 8.230 nan 0.000 0.441 686 T N -2.963 111.673 114.554 0.137 0.000 2.942 686 T HA -0.131 4.219 4.350 0.001 0.000 0.265 686 T C 1.819 176.632 174.700 0.189 0.000 1.062 686 T CA 0.695 62.879 62.100 0.140 0.000 1.139 686 T CB -0.082 68.854 68.868 0.114 0.000 0.883 686 T HN -0.036 nan 8.240 nan 0.000 0.468 687 K N 1.763 122.287 120.400 0.207 0.000 2.148 687 K HA 0.044 4.365 4.320 0.001 0.000 0.204 687 K C 2.484 179.322 176.600 0.397 0.000 1.050 687 K CA 0.771 57.189 56.287 0.218 0.000 0.942 687 K CB -0.415 32.151 32.500 0.109 0.000 0.724 687 K HN 0.251 nan 8.250 nan 0.000 0.446 688 R N 0.685 121.470 120.500 0.475 0.000 2.081 688 R HA -0.092 4.249 4.340 0.001 0.000 0.235 688 R C 1.102 177.634 176.300 0.386 0.000 1.131 688 R CA 1.765 58.161 56.100 0.494 0.000 0.960 688 R CB -0.537 29.972 30.300 0.348 0.000 0.856 688 R HN 0.245 nan 8.270 nan 0.000 0.436 689 N N 1.098 119.946 118.700 0.248 0.000 2.244 689 N HA -0.153 4.587 4.740 0.001 0.000 0.183 689 N C 1.547 177.240 175.510 0.305 0.000 1.016 689 N CA 1.195 54.367 53.050 0.203 0.000 0.866 689 N CB -0.246 38.326 38.487 0.141 0.000 0.980 689 N HN 0.448 nan 8.380 nan 0.000 0.430 690 E N 0.666 121.030 120.200 0.274 0.000 2.106 690 E HA -0.155 4.196 4.350 0.001 0.000 0.192 690 E C 1.122 177.789 176.600 0.113 0.000 0.984 690 E CA 0.873 57.359 56.400 0.143 0.000 0.806 690 E CB 0.231 29.859 29.700 -0.120 0.000 0.750 690 E HN 0.111 nan 8.360 nan 0.000 0.458 691 K N 0.043 120.526 120.400 0.138 0.000 2.057 691 K HA -0.160 4.160 4.320 0.001 0.000 0.206 691 K C 1.751 178.351 176.600 -0.000 0.000 1.050 691 K CA 1.040 57.331 56.287 0.006 0.000 0.935 691 K CB -0.613 31.790 32.500 -0.162 0.000 0.715 691 K HN 0.284 nan 8.250 nan 0.000 0.439 692 W N 1.509 122.739 121.300 -0.117 0.000 2.354 692 W HA -0.114 4.547 4.660 0.002 0.000 0.315 692 W C 2.861 179.186 176.519 -0.323 0.000 1.206 692 W CA 1.745 58.924 57.345 -0.278 0.000 1.290 692 W CB -1.088 28.229 29.460 -0.237 0.000 1.152 692 W HN 0.079 nan 8.180 nan 0.000 0.489 693 S N 0.016 115.856 115.700 0.232 0.000 2.365 693 S HA -0.235 4.235 4.470 0.001 0.000 0.225 693 S C 1.568 176.383 174.600 0.360 0.000 1.039 693 S CA 2.160 60.618 58.200 0.431 0.000 1.033 693 S CB -0.578 62.948 63.200 0.544 0.000 0.887 693 S HN 0.133 nan 8.310 nan 0.000 0.447 694 D N 0.526 121.044 120.400 0.197 0.000 2.117 694 D HA -0.085 4.556 4.640 0.001 0.000 0.197 694 D C 1.875 178.184 176.300 0.015 0.000 0.987 694 D CA 1.234 55.297 54.000 0.106 0.000 0.829 694 D CB -0.387 40.428 40.800 0.025 0.000 0.961 694 D HN 0.384 nan 8.370 nan 0.000 0.460 695 M N -0.585 118.975 119.600 -0.067 0.000 2.086 695 M HA -0.163 4.317 4.480 0.001 0.000 0.261 695 M C 1.761 178.042 176.300 -0.032 0.000 1.067 695 M CA 1.552 56.781 55.300 -0.119 0.000 1.116 695 M CB -0.818 31.620 32.600 -0.271 0.000 1.348 695 M HN 0.194 nan 8.290 nan 0.000 0.407 696 Y N -0.792 119.418 120.300 -0.149 0.000 2.128 696 Y HA -0.208 4.342 4.550 0.001 0.000 0.284 696 Y C 2.351 177.917 175.900 -0.558 0.000 1.154 696 Y CA 0.530 58.459 58.100 -0.285 0.000 1.149 696 Y CB -0.881 37.558 38.460 -0.035 0.000 0.976 696 Y HN 0.439 nan 8.280 nan 0.000 0.505 697 G N 0.293 108.796 108.800 -0.494 0.000 2.440 697 G HA2 -0.306 3.655 3.960 0.001 0.000 0.218 697 G HA3 -0.306 3.655 3.960 0.001 0.000 0.218 697 G C 1.525 176.358 174.900 -0.111 0.000 1.154 697 G CA 1.029 45.895 45.100 -0.389 0.000 0.767 697 G HN 0.323 nan 8.290 nan 0.000 0.552 698 L N 0.558 121.741 121.223 -0.067 0.000 2.131 698 L HA 0.011 4.352 4.340 0.001 0.000 0.210 698 L C 2.414 179.201 176.870 -0.138 0.000 1.092 698 L CA 1.278 56.087 54.840 -0.051 0.000 0.759 698 L CB -0.282 41.751 42.059 -0.043 0.000 0.903 698 L HN 0.098 nan 8.230 nan 0.000 0.435 699 I N -1.085 119.392 120.570 -0.155 0.000 2.202 699 I HA -0.189 3.981 4.170 0.001 0.000 0.242 699 I C 2.553 178.598 176.117 -0.119 0.000 1.091 699 I CA 1.156 62.343 61.300 -0.188 0.000 1.368 699 I CB -1.176 36.667 38.000 -0.262 0.000 1.058 699 I HN 0.095 nan 8.210 nan 0.000 0.410 700 V N 1.588 121.445 119.914 -0.095 0.000 2.332 700 V HA -0.293 3.827 4.120 0.001 0.000 0.248 700 V C 2.845 179.046 176.094 0.179 0.000 1.055 700 V CA 1.885 64.252 62.300 0.112 0.000 1.038 700 V CB -1.213 30.687 31.823 0.129 0.000 0.651 700 V HN 0.468 nan 8.190 nan 0.000 0.450 701 A N -0.900 121.968 122.820 0.079 0.000 1.940 701 A HA -0.291 4.030 4.320 0.001 0.000 0.219 701 A C 2.182 179.785 177.584 0.032 0.000 1.176 701 A CA 2.018 54.121 52.037 0.110 0.000 0.631 701 A CB -0.414 18.689 19.000 0.171 0.000 0.814 701 A HN 0.662 nan 8.150 nan 0.000 0.446 702 Q N -2.353 117.322 119.800 -0.209 0.000 2.137 702 Q HA -0.149 4.191 4.340 0.001 0.000 0.198 702 Q C 1.896 177.890 176.000 -0.010 0.000 0.960 702 Q CA 1.198 56.782 55.803 -0.365 0.000 0.847 702 Q CB -0.240 28.113 28.738 -0.641 0.000 0.915 702 Q HN 0.894 nan 8.270 nan 0.000 0.448 703 W N 1.769 123.004 121.300 -0.109 0.000 2.333 703 W HA -0.185 4.472 4.660 -0.006 0.000 0.316 703 W C 1.462 177.986 176.519 0.008 0.000 1.215 703 W CA 1.367 58.700 57.345 -0.020 0.000 1.278 703 W CB -0.490 28.957 29.460 -0.021 0.000 1.154 703 W HN 0.004 nan 8.180 nan 0.000 0.486 704 L N 1.075 122.189 121.223 -0.182 0.000 2.131 704 L HA -0.199 4.142 4.340 0.001 0.000 0.210 704 L C 2.544 179.228 176.870 -0.310 0.000 1.092 704 L CA 1.838 56.430 54.840 -0.414 0.000 0.759 704 L CB -0.992 40.937 42.059 -0.217 0.000 0.903 704 L HN 0.197 nan 8.230 nan 0.000 0.435 705 S N -3.088 112.521 115.700 -0.151 0.000 2.511 705 S HA -0.008 4.462 4.470 0.001 0.000 0.214 705 S C 1.586 176.221 174.600 0.059 0.000 0.997 705 S CA 0.391 58.512 58.200 -0.132 0.000 0.908 705 S CB 0.108 63.319 63.200 0.017 0.000 0.803 705 S HN 0.496 nan 8.310 nan 0.000 0.504 706 T N -1.951 112.631 114.554 0.047 0.000 2.964 706 T HA 0.345 4.695 4.350 0.001 0.000 0.250 706 T C 1.363 176.067 174.700 0.007 0.000 0.982 706 T CA 0.490 62.639 62.100 0.081 0.000 0.959 706 T CB -0.032 68.915 68.868 0.131 0.000 1.141 706 T HN 0.139 nan 8.240 nan 0.000 0.494 707 V N 1.651 121.531 119.914 -0.057 0.000 2.735 707 V HA 0.237 4.357 4.120 0.001 0.000 0.234 707 V C 2.509 178.503 176.094 -0.166 0.000 1.121 707 V CA 0.996 63.211 62.300 -0.142 0.000 1.160 707 V CB -0.627 31.219 31.823 0.039 0.000 0.908 707 V HN 0.384 nan 8.190 nan 0.000 0.495 708 N N 0.969 119.487 118.700 -0.303 0.000 2.272 708 N HA -0.190 4.550 4.740 0.001 0.000 0.185 708 N C 1.806 177.277 175.510 -0.065 0.000 1.014 708 N CA 2.103 54.997 53.050 -0.261 0.000 0.870 708 N CB -0.151 37.866 38.487 -0.783 0.000 0.975 708 N HN 0.705 nan 8.380 nan 0.000 0.433 709 T N -1.934 112.569 114.554 -0.085 0.000 2.643 709 T HA -0.190 4.160 4.350 0.001 0.000 0.264 709 T C 1.746 176.557 174.700 0.185 0.000 1.045 709 T CA 1.202 63.331 62.100 0.048 0.000 1.155 709 T CB -0.705 68.215 68.868 0.086 0.000 0.863 709 T HN 0.266 nan 8.240 nan 0.000 0.420 710 Q N 0.356 120.233 119.800 0.129 0.000 2.152 710 Q HA -0.065 4.275 4.340 0.001 0.000 0.206 710 Q C 2.108 178.181 176.000 0.122 0.000 0.985 710 Q CA 1.673 57.596 55.803 0.201 0.000 0.863 710 Q CB -0.490 28.193 28.738 -0.092 0.000 0.904 710 Q HN 0.631 nan 8.270 nan 0.000 0.422 711 F N -1.121 118.898 119.950 0.115 0.000 2.502 711 F HA -0.180 4.342 4.527 -0.009 0.000 0.298 711 F C 2.085 177.939 175.800 0.089 0.000 1.111 711 F CA 0.349 58.395 58.000 0.076 0.000 1.445 711 F CB 0.022 39.044 39.000 0.037 0.000 1.081 711 F HN 0.152 nan 8.300 nan 0.000 0.558 712 Y N 0.539 120.928 120.300 0.149 0.000 2.184 712 Y HA -0.186 4.364 4.550 -0.000 0.000 0.290 712 Y C 2.493 178.413 175.900 0.033 0.000 1.129 712 Y CA 1.862 60.005 58.100 0.072 0.000 1.144 712 Y CB -0.912 37.569 38.460 0.036 0.000 0.995 712 Y HN -0.152 nan 8.280 nan 0.000 0.513 713 T N 1.361 115.908 114.554 -0.011 0.000 2.759 713 T HA -0.202 4.149 4.350 0.001 0.000 0.269 713 T C 1.909 176.471 174.700 -0.230 0.000 1.042 713 T CA 2.072 64.018 62.100 -0.256 0.000 1.140 713 T CB -0.479 68.058 68.868 -0.551 0.000 0.864 713 T HN 0.384 nan 8.240 nan 0.000 0.455 714 I N 0.242 120.783 120.570 -0.048 0.000 2.252 714 I HA -0.149 4.022 4.170 0.001 0.000 0.245 714 I C 2.543 178.647 176.117 -0.023 0.000 1.102 714 I CA 1.256 62.563 61.300 0.012 0.000 1.385 714 I CB -0.233 37.868 38.000 0.168 0.000 1.064 714 I HN 0.180 nan 8.210 nan 0.000 0.414 715 K N 0.504 120.884 120.400 -0.034 0.000 2.009 715 K HA -0.189 4.131 4.320 0.001 0.000 0.210 715 K C 2.098 178.643 176.600 -0.091 0.000 1.049 715 K CA 1.299 57.559 56.287 -0.045 0.000 0.929 715 K CB -0.143 32.318 32.500 -0.065 0.000 0.714 715 K HN 0.204 nan 8.250 nan 0.000 0.440 716 E N 0.066 120.117 120.200 -0.248 0.000 2.085 716 E HA -0.156 4.194 4.350 0.001 0.000 0.194 716 E C 2.185 178.741 176.600 -0.074 0.000 0.994 716 E CA 1.423 57.699 56.400 -0.207 0.000 0.801 716 E CB -0.495 28.979 29.700 -0.375 0.000 0.743 716 E HN 0.487 nan 8.360 nan 0.000 0.453 717 G N 0.760 109.495 108.800 -0.109 0.000 2.422 717 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 717 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 717 G C 1.538 176.408 174.900 -0.051 0.000 1.146 717 G CA 0.754 45.806 45.100 -0.081 0.000 0.769 717 G HN 0.109 nan 8.290 nan 0.000 0.547 718 M N -0.584 119.001 119.600 -0.026 0.000 2.175 718 M HA 0.052 4.533 4.480 0.001 0.000 0.264 718 M C 2.277 178.606 176.300 0.047 0.000 1.063 718 M CA 0.564 55.863 55.300 -0.001 0.000 1.119 718 M CB -1.162 31.456 32.600 0.031 0.000 1.377 718 M HN 0.377 nan 8.290 nan 0.000 0.415 719 Y N 1.574 121.842 120.300 -0.054 0.000 2.165 719 Y HA -0.239 4.310 4.550 -0.001 0.000 0.286 719 Y C 2.196 178.031 175.900 -0.108 0.000 1.155 719 Y CA 1.868 59.940 58.100 -0.047 0.000 1.164 719 Y CB -0.227 38.195 38.460 -0.063 0.000 0.978 719 Y HN 0.187 nan 8.280 nan 0.000 0.513 720 K N -0.344 119.916 120.400 -0.233 0.000 2.057 720 K HA -0.109 4.211 4.320 0.001 0.000 0.206 720 K C 2.379 178.623 176.600 -0.594 0.000 1.050 720 K CA 1.031 56.989 56.287 -0.548 0.000 0.935 720 K CB -0.400 31.811 32.500 -0.480 0.000 0.715 720 K HN 0.367 nan 8.250 nan 0.000 0.439 721 A N 1.721 124.429 122.820 -0.186 0.000 1.877 721 A HA -0.151 4.169 4.320 0.001 0.000 0.216 721 A C 2.169 179.863 177.584 0.183 0.000 1.186 721 A CA 1.315 53.427 52.037 0.126 0.000 0.620 721 A CB -0.742 18.320 19.000 0.103 0.000 0.822 721 A HN 0.154 nan 8.150 nan 0.000 0.443 722 L N -0.250 121.036 121.223 0.104 0.000 2.046 722 L HA -0.215 4.126 4.340 0.001 0.000 0.208 722 L C 2.384 179.303 176.870 0.081 0.000 1.077 722 L CA 1.334 56.260 54.840 0.144 0.000 0.747 722 L CB -0.597 41.551 42.059 0.150 0.000 0.896 722 L HN 0.448 nan 8.230 nan 0.000 0.432 723 N N -0.787 117.810 118.700 -0.172 0.000 2.216 723 N HA -0.168 4.573 4.740 0.001 0.000 0.183 723 N C 1.914 177.384 175.510 -0.067 0.000 1.017 723 N CA 1.222 54.123 53.050 -0.248 0.000 0.861 723 N CB -0.153 38.021 38.487 -0.522 0.000 0.986 723 N HN 0.439 nan 8.380 nan 0.000 0.428 724 Y N 1.575 121.847 120.300 -0.046 0.000 2.181 724 Y HA -0.174 4.376 4.550 -0.001 0.000 0.288 724 Y C 2.615 178.546 175.900 0.052 0.000 1.146 724 Y CA 0.509 58.616 58.100 0.011 0.000 1.164 724 Y CB 0.168 38.665 38.460 0.062 0.000 0.982 724 Y HN 0.065 nan 8.280 nan 0.000 0.515 725 Q N -0.072 119.854 119.800 0.210 0.000 2.084 725 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 725 Q C 2.553 178.726 176.000 0.290 0.000 0.978 725 Q CA 1.351 57.237 55.803 0.138 0.000 0.844 725 Q CB -0.635 27.999 28.738 -0.173 0.000 0.898 725 Q HN 0.511 nan 8.270 nan 0.000 0.426 726 A N 0.824 123.801 122.820 0.262 0.000 1.930 726 A HA -0.212 4.109 4.320 0.001 0.000 0.217 726 A C 2.097 179.750 177.584 0.116 0.000 1.175 726 A CA 1.441 53.494 52.037 0.027 0.000 0.627 726 A CB -0.453 18.579 19.000 0.053 0.000 0.815 726 A HN 0.372 nan 8.150 nan 0.000 0.443 727 Q N -0.665 119.181 119.800 0.076 0.000 2.124 727 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 727 Q C 2.383 178.540 176.000 0.261 0.000 0.977 727 Q CA 1.421 57.303 55.803 0.132 0.000 0.850 727 Q CB -0.361 28.431 28.738 0.090 0.000 0.901 727 Q HN 0.697 nan 8.270 nan 0.000 0.429 728 A N 0.546 123.515 122.820 0.248 0.000 1.898 728 A HA -0.155 4.165 4.320 0.001 0.000 0.216 728 A C 1.996 179.635 177.584 0.092 0.000 1.181 728 A CA 1.069 53.198 52.037 0.152 0.000 0.620 728 A CB -0.569 18.492 19.000 0.102 0.000 0.819 728 A HN 0.366 nan 8.150 nan 0.000 0.442 729 L N 0.106 121.409 121.223 0.133 0.000 2.056 729 L HA -0.119 4.221 4.340 0.001 0.000 0.207 729 L C 2.242 179.186 176.870 0.124 0.000 1.078 729 L CA 2.771 57.679 54.840 0.114 0.000 0.749 729 L CB -0.589 41.532 42.059 0.103 0.000 0.901 729 L HN 0.525 nan 8.230 nan 0.000 0.433 730 E N -0.365 119.930 120.200 0.158 0.000 2.106 730 E HA -0.280 4.070 4.350 0.001 0.000 0.192 730 E C 2.068 178.824 176.600 0.260 0.000 0.984 730 E CA 1.347 57.879 56.400 0.220 0.000 0.806 730 E CB -0.203 29.692 29.700 0.324 0.000 0.750 730 E HN 0.568 nan 8.360 nan 0.000 0.458 731 E N 0.484 120.818 120.200 0.223 0.000 2.072 731 E HA -0.125 4.225 4.350 0.001 0.000 0.191 731 E C 1.914 178.619 176.600 0.175 0.000 0.985 731 E CA 1.604 58.118 56.400 0.190 0.000 0.801 731 E CB -0.365 29.383 29.700 0.080 0.000 0.750 731 E HN 0.493 nan 8.360 nan 0.000 0.452 732 I N 0.202 120.856 120.570 0.141 0.000 2.179 732 I HA -0.242 3.928 4.170 0.001 0.000 0.242 732 I C 2.340 178.687 176.117 0.384 0.000 1.088 732 I CA 0.991 62.410 61.300 0.199 0.000 1.357 732 I CB -0.288 37.813 38.000 0.169 0.000 1.051 732 I HN 0.153 nan 8.210 nan 0.000 0.409 733 I N 0.802 121.624 120.570 0.420 0.000 2.127 733 I HA -0.333 3.837 4.170 0.001 0.000 0.241 733 I C 2.557 179.064 176.117 0.649 0.000 1.075 733 I CA 1.634 63.273 61.300 0.566 0.000 1.334 733 I CB -0.441 37.748 38.000 0.314 0.000 1.040 733 I HN 0.182 nan 8.210 nan 0.000 0.405 734 K N -0.082 120.650 120.400 0.552 0.000 2.009 734 K HA -0.265 4.055 4.320 0.001 0.000 0.210 734 K C 2.237 179.068 176.600 0.385 0.000 1.049 734 K CA 1.987 58.584 56.287 0.517 0.000 0.929 734 K CB -0.517 32.187 32.500 0.340 0.000 0.714 734 K HN 0.212 nan 8.250 nan 0.000 0.440 735 Y N 1.997 122.411 120.300 0.189 0.000 2.097 735 Y HA -0.277 4.274 4.550 0.001 0.000 0.282 735 Y C 2.264 178.152 175.900 -0.019 0.000 1.152 735 Y CA 1.585 59.722 58.100 0.061 0.000 1.136 735 Y CB 0.042 38.512 38.460 0.016 0.000 0.975 735 Y HN -0.043 nan 8.280 nan 0.000 0.498 736 R N -0.819 119.737 120.500 0.093 0.000 2.091 736 R HA -0.230 4.110 4.340 0.001 0.000 0.238 736 R C 2.156 178.101 176.300 -0.593 0.000 1.136 736 R CA 1.797 57.765 56.100 -0.221 0.000 0.959 736 R CB -1.730 28.610 30.300 0.067 0.000 0.856 736 R HN 0.524 nan 8.270 nan 0.000 0.437 737 Y N 2.398 122.521 120.300 -0.296 0.000 2.181 737 Y HA -0.129 4.422 4.550 0.001 0.000 0.288 737 Y C 1.638 177.434 175.900 -0.174 0.000 1.146 737 Y CA 1.431 59.388 58.100 -0.239 0.000 1.164 737 Y CB -0.351 38.345 38.460 0.393 0.000 0.982 737 Y HN 0.031 nan 8.280 nan 0.000 0.515 738 N N 0.239 118.805 118.700 -0.224 0.000 2.550 738 N HA -0.082 4.658 4.740 0.001 0.000 0.186 738 N C 1.583 176.834 175.510 -0.431 0.000 1.110 738 N CA 0.633 53.491 53.050 -0.320 0.000 0.912 738 N CB -0.011 38.378 38.487 -0.164 0.000 0.968 738 N HN 0.391 nan 8.380 nan 0.000 0.448 739 I N 0.338 120.535 120.570 -0.622 0.000 2.617 739 I HA -0.111 4.060 4.170 0.001 0.000 0.256 739 I C 0.669 176.496 176.117 -0.483 0.000 1.167 739 I CA 0.406 61.337 61.300 -0.615 0.000 1.469 739 I CB -0.705 36.840 38.000 -0.758 0.000 1.098 739 I HN 0.022 nan 8.210 nan 0.000 0.436 740 Y N 1.438 121.511 120.300 -0.378 0.000 2.385 740 Y HA 0.035 4.585 4.550 0.001 0.000 0.346 740 Y C 1.596 177.326 175.900 -0.283 0.000 1.270 740 Y CA -0.527 57.374 58.100 -0.331 0.000 1.472 740 Y CB 0.353 38.570 38.460 -0.405 0.000 1.354 740 Y HN 0.036 nan 8.280 nan 0.000 0.611 741 S N 0.056 115.742 115.700 -0.023 0.000 2.652 741 S HA 0.117 4.588 4.470 0.001 0.000 0.270 741 S C 0.734 175.281 174.600 -0.088 0.000 1.243 741 S CA -0.854 57.305 58.200 -0.069 0.000 0.999 741 S CB 1.254 64.424 63.200 -0.050 0.000 0.973 741 S HN 0.663 nan 8.310 nan 0.000 0.544 742 E N 0.809 120.962 120.200 -0.078 0.000 2.153 742 E HA -0.116 4.235 4.350 0.001 0.000 0.194 742 E C 1.700 178.271 176.600 -0.047 0.000 0.988 742 E CA 0.778 57.139 56.400 -0.066 0.000 0.811 742 E CB -0.259 29.414 29.700 -0.045 0.000 0.746 742 E HN 0.574 nan 8.360 nan 0.000 0.466 743 K N 1.349 121.722 120.400 -0.044 0.000 2.026 743 K HA -0.154 4.166 4.320 0.001 0.000 0.208 743 K C 1.875 178.448 176.600 -0.045 0.000 1.048 743 K CA 1.283 57.548 56.287 -0.035 0.000 0.929 743 K CB -0.046 32.434 32.500 -0.034 0.000 0.713 743 K HN 0.209 nan 8.250 nan 0.000 0.439 744 E N 0.223 120.381 120.200 -0.071 0.000 2.072 744 E HA -0.133 4.217 4.350 0.001 0.000 0.191 744 E C 2.141 178.674 176.600 -0.112 0.000 0.985 744 E CA 0.947 57.278 56.400 -0.115 0.000 0.801 744 E CB 0.000 29.598 29.700 -0.171 0.000 0.750 744 E HN 0.251 nan 8.360 nan 0.000 0.452 745 K N 0.648 120.981 120.400 -0.110 0.000 2.113 745 K HA -0.125 4.196 4.320 0.001 0.000 0.208 745 K C 2.342 178.996 176.600 0.091 0.000 1.047 745 K CA 1.359 57.613 56.287 -0.054 0.000 0.928 745 K CB -0.085 32.310 32.500 -0.174 0.000 0.716 745 K HN -0.044 nan 8.250 nan 0.000 0.446 746 S N 1.278 117.001 115.700 0.038 0.000 2.400 746 S HA -0.092 4.378 4.470 0.001 0.000 0.232 746 S C 1.316 175.948 174.600 0.053 0.000 1.025 746 S CA 1.131 59.362 58.200 0.053 0.000 0.993 746 S CB -0.160 63.053 63.200 0.022 0.000 0.808 746 S HN 0.335 nan 8.310 nan 0.000 0.478 747 N N 0.526 119.243 118.700 0.028 0.000 2.336 747 N HA 0.226 4.966 4.740 0.001 0.000 0.189 747 N C -0.061 175.474 175.510 0.042 0.000 1.113 747 N CA 0.152 53.216 53.050 0.022 0.000 0.858 747 N CB 0.293 38.776 38.487 -0.007 0.000 0.970 747 N HN 0.387 nan 8.380 nan 0.000 0.471 748 I N 1.885 122.509 120.570 0.089 0.000 2.396 748 I HA -0.000 4.170 4.170 0.001 0.000 0.289 748 I C 0.454 176.657 176.117 0.144 0.000 1.056 748 I CA -0.320 61.070 61.300 0.149 0.000 1.365 748 I CB 0.454 38.640 38.000 0.310 0.000 1.407 748 I HN -0.164 nan 8.210 nan 0.000 0.509 749 N N 8.376 127.128 118.700 0.086 0.000 2.868 749 N HA 0.273 5.014 4.740 0.001 0.000 0.252 749 N C -1.099 174.410 175.510 -0.002 0.000 1.130 749 N CA -0.041 53.034 53.050 0.041 0.000 1.026 749 N CB 0.092 38.590 38.487 0.018 0.000 1.335 749 N HN 0.306 nan 8.380 nan 0.000 0.516 750 I N 0.830 121.389 120.570 -0.019 0.000 2.647 750 I HA 0.295 4.465 4.170 0.001 0.000 0.295 750 I C -0.658 175.370 176.117 -0.149 0.000 1.078 750 I CA -0.707 60.498 61.300 -0.159 0.000 1.048 750 I CB 2.087 39.908 38.000 -0.299 0.000 1.239 750 I HN 0.294 nan 8.210 nan 0.000 0.421 751 D N 5.112 125.391 120.400 -0.203 0.000 2.420 751 D HA 0.261 4.902 4.640 0.001 0.000 0.255 751 D C 0.650 176.853 176.300 -0.161 0.000 1.185 751 D CA -0.418 53.524 54.000 -0.098 0.000 0.904 751 D CB 0.734 41.493 40.800 -0.068 0.000 1.102 751 D HN 0.201 nan 8.370 nan 0.000 0.534 752 F N 1.991 121.870 119.950 -0.118 0.000 2.120 752 F HA -0.193 4.334 4.527 0.000 0.000 0.300 752 F C 2.205 177.925 175.800 -0.133 0.000 1.095 752 F CA 0.972 58.900 58.000 -0.120 0.000 1.249 752 F CB -0.230 38.718 39.000 -0.087 0.000 0.995 752 F HN 0.368 nan 8.300 nan 0.000 0.480 753 N N 0.047 118.787 118.700 0.067 0.000 2.166 753 N HA -0.194 4.547 4.740 0.001 0.000 0.186 753 N C 1.582 177.036 175.510 -0.093 0.000 1.019 753 N CA 1.598 54.635 53.050 -0.022 0.000 0.856 753 N CB -0.620 37.867 38.487 -0.001 0.000 0.993 753 N HN 0.301 nan 8.380 nan 0.000 0.426 754 D N 0.835 121.179 120.400 -0.093 0.000 2.144 754 D HA 0.020 4.660 4.640 0.001 0.000 0.200 754 D C 2.078 178.276 176.300 -0.170 0.000 0.978 754 D CA 0.454 54.384 54.000 -0.116 0.000 0.833 754 D CB -0.006 40.733 40.800 -0.102 0.000 0.961 754 D HN 0.176 nan 8.370 nan 0.000 0.470 755 I N 0.267 120.708 120.570 -0.215 0.000 2.099 755 I HA -0.306 3.865 4.170 0.001 0.000 0.239 755 I C 1.941 177.869 176.117 -0.315 0.000 1.066 755 I CA 1.139 62.277 61.300 -0.270 0.000 1.324 755 I CB -0.437 37.365 38.000 -0.330 0.000 1.037 755 I HN 0.022 nan 8.210 nan 0.000 0.401 756 N N 0.406 118.876 118.700 -0.382 0.000 2.104 756 N HA -0.205 4.535 4.740 0.001 0.000 0.190 756 N C 1.959 177.140 175.510 -0.548 0.000 1.024 756 N CA 1.612 54.231 53.050 -0.719 0.000 0.853 756 N CB -0.486 37.505 38.487 -0.826 0.000 1.008 756 N HN 0.258 nan 8.380 nan 0.000 0.424 757 S N 0.561 116.076 115.700 -0.309 0.000 2.353 757 S HA -0.141 4.329 4.470 0.001 0.000 0.222 757 S C 1.674 176.196 174.600 -0.130 0.000 1.035 757 S CA 1.331 59.425 58.200 -0.175 0.000 1.025 757 S CB -0.093 63.038 63.200 -0.114 0.000 0.902 757 S HN 0.254 nan 8.310 nan 0.000 0.440 758 K N 0.390 120.706 120.400 -0.139 0.000 2.148 758 K HA 0.052 4.372 4.320 0.001 0.000 0.204 758 K C 2.128 178.692 176.600 -0.060 0.000 1.050 758 K CA 1.237 57.472 56.287 -0.087 0.000 0.942 758 K CB -0.274 32.166 32.500 -0.100 0.000 0.724 758 K HN 0.390 nan 8.250 nan 0.000 0.446 759 L N 1.438 122.566 121.223 -0.158 0.000 1.988 759 L HA -0.214 4.127 4.340 0.001 0.000 0.207 759 L C 2.516 179.429 176.870 0.071 0.000 1.071 759 L CA 1.193 55.933 54.840 -0.167 0.000 0.744 759 L CB -0.780 41.044 42.059 -0.391 0.000 0.893 759 L HN 0.366 nan 8.230 nan 0.000 0.433 760 N N 0.524 119.257 118.700 0.054 0.000 2.149 760 N HA -0.281 4.459 4.740 0.001 0.000 0.188 760 N C 1.779 177.391 175.510 0.170 0.000 1.019 760 N CA 1.956 55.133 53.050 0.211 0.000 0.857 760 N CB 0.035 38.629 38.487 0.178 0.000 0.997 760 N HN 0.301 nan 8.380 nan 0.000 0.426 761 E N 0.269 120.529 120.200 0.101 0.000 2.047 761 E HA -0.030 4.321 4.350 0.001 0.000 0.191 761 E C 1.990 178.668 176.600 0.129 0.000 0.987 761 E CA 1.725 58.182 56.400 0.095 0.000 0.799 761 E CB -1.062 28.667 29.700 0.048 0.000 0.752 761 E HN 0.444 nan 8.360 nan 0.000 0.449 762 G N 0.976 109.874 108.800 0.163 0.000 2.440 762 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 762 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 762 G C 1.746 176.782 174.900 0.227 0.000 1.154 762 G CA 1.056 46.273 45.100 0.195 0.000 0.767 762 G HN 0.346 nan 8.290 nan 0.000 0.552 763 I N 1.028 121.783 120.570 0.308 0.000 2.226 763 I HA -0.193 3.977 4.170 0.001 0.000 0.245 763 I C 2.503 178.759 176.117 0.232 0.000 1.100 763 I CA 0.950 62.423 61.300 0.289 0.000 1.374 763 I CB -0.261 37.914 38.000 0.291 0.000 1.057 763 I HN 0.108 nan 8.210 nan 0.000 0.413 764 N N 0.808 119.632 118.700 0.207 0.000 2.120 764 N HA -0.191 4.550 4.740 0.001 0.000 0.188 764 N C 1.835 177.431 175.510 0.143 0.000 1.024 764 N CA 1.272 54.430 53.050 0.180 0.000 0.852 764 N CB -0.386 38.192 38.487 0.151 0.000 1.003 764 N HN 0.493 nan 8.380 nan 0.000 0.424 765 Q N 0.512 120.385 119.800 0.121 0.000 2.124 765 Q HA -0.000 4.340 4.340 0.001 0.000 0.202 765 Q C 2.096 178.154 176.000 0.097 0.000 0.977 765 Q CA 1.503 57.360 55.803 0.090 0.000 0.850 765 Q CB -0.155 28.623 28.738 0.068 0.000 0.901 765 Q HN 0.393 nan 8.270 nan 0.000 0.429 766 A N 1.092 123.989 122.820 0.127 0.000 1.873 766 A HA -0.165 4.155 4.320 0.001 0.000 0.215 766 A C 2.043 179.714 177.584 0.146 0.000 1.186 766 A CA 1.005 53.131 52.037 0.147 0.000 0.616 766 A CB -0.459 18.668 19.000 0.211 0.000 0.823 766 A HN 0.240 nan 8.150 nan 0.000 0.442 767 I N 0.743 121.416 120.570 0.172 0.000 2.208 767 I HA -0.219 3.951 4.170 0.001 0.000 0.245 767 I C 1.855 178.044 176.117 0.120 0.000 1.097 767 I CA 1.675 63.077 61.300 0.170 0.000 1.363 767 I CB -1.349 36.784 38.000 0.222 0.000 1.051 767 I HN 0.353 nan 8.210 nan 0.000 0.413 768 D N 0.815 121.278 120.400 0.106 0.000 2.092 768 D HA -0.183 4.458 4.640 0.001 0.000 0.193 768 D C 1.829 178.175 176.300 0.078 0.000 0.994 768 D CA 1.126 55.176 54.000 0.085 0.000 0.828 768 D CB -0.438 40.406 40.800 0.074 0.000 0.963 768 D HN 0.334 nan 8.370 nan 0.000 0.450 769 N N 1.014 119.754 118.700 0.067 0.000 2.036 769 N HA -0.137 4.604 4.740 0.001 0.000 0.195 769 N C 2.240 177.795 175.510 0.074 0.000 1.037 769 N CA 0.654 53.732 53.050 0.048 0.000 0.855 769 N CB -0.536 37.956 38.487 0.007 0.000 1.033 769 N HN 0.276 nan 8.380 nan 0.000 0.423 770 I N 1.418 122.031 120.570 0.073 0.000 2.208 770 I HA -0.276 3.894 4.170 0.001 0.000 0.245 770 I C 1.689 177.888 176.117 0.137 0.000 1.097 770 I CA 1.001 62.365 61.300 0.108 0.000 1.363 770 I CB -0.287 37.765 38.000 0.086 0.000 1.051 770 I HN 0.105 nan 8.210 nan 0.000 0.413 771 N N 0.919 119.680 118.700 0.101 0.000 2.120 771 N HA -0.149 4.592 4.740 0.001 0.000 0.188 771 N C 1.563 177.120 175.510 0.079 0.000 1.024 771 N CA 1.144 54.243 53.050 0.082 0.000 0.852 771 N CB -0.518 38.015 38.487 0.077 0.000 1.003 771 N HN 0.351 nan 8.380 nan 0.000 0.424 772 N N 0.333 119.090 118.700 0.095 0.000 2.142 772 N HA -0.129 4.611 4.740 0.001 0.000 0.186 772 N C 1.635 177.207 175.510 0.104 0.000 1.023 772 N CA 0.537 53.644 53.050 0.094 0.000 0.852 772 N CB -0.529 38.012 38.487 0.091 0.000 0.998 772 N HN 0.204 nan 8.380 nan 0.000 0.424 773 F N 2.453 122.384 119.950 -0.032 0.000 2.075 773 F HA -0.112 4.408 4.527 -0.011 0.000 0.297 773 F C 2.107 177.857 175.800 -0.083 0.000 1.113 773 F CA 1.106 59.065 58.000 -0.069 0.000 1.218 773 F CB -0.364 38.563 39.000 -0.123 0.000 0.984 773 F HN -0.130 nan 8.300 nan 0.000 0.472 774 I N 0.885 121.301 120.570 -0.256 0.000 2.286 774 I HA -0.291 3.880 4.170 0.001 0.000 0.248 774 I C 2.019 177.899 176.117 -0.394 0.000 1.115 774 I CA 1.181 62.223 61.300 -0.430 0.000 1.392 774 I CB -1.677 36.245 38.000 -0.130 0.000 1.065 774 I HN 0.248 nan 8.210 nan 0.000 0.418 775 N N 1.355 119.969 118.700 -0.143 0.000 2.120 775 N HA -0.116 4.625 4.740 0.001 0.000 0.188 775 N C 2.026 177.518 175.510 -0.030 0.000 1.024 775 N CA 1.553 54.583 53.050 -0.033 0.000 0.852 775 N CB -0.682 37.847 38.487 0.070 0.000 1.003 775 N HN 0.412 nan 8.380 nan 0.000 0.424 776 G N 0.568 109.339 108.800 -0.048 0.000 2.440 776 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 776 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 776 G C 1.896 176.783 174.900 -0.021 0.000 1.154 776 G CA 1.044 46.177 45.100 0.054 0.000 0.767 776 G HN 0.363 nan 8.290 nan 0.000 0.552 777 C N 0.105 119.211 119.300 -0.323 0.000 2.429 777 C HA -0.005 4.455 4.460 0.001 0.000 0.277 777 C C 3.346 178.132 174.990 -0.339 0.000 1.262 777 C CA 1.297 60.080 59.018 -0.391 0.000 1.733 777 C CB -0.843 26.407 27.740 -0.816 0.000 2.010 777 C HN 0.478 nan 8.230 nan 0.000 0.483 778 S N 0.298 115.706 115.700 -0.487 0.000 2.368 778 S HA -0.114 4.357 4.470 0.001 0.000 0.224 778 S C 1.821 176.680 174.600 0.432 0.000 1.029 778 S CA 1.736 60.015 58.200 0.133 0.000 0.988 778 S CB -0.151 63.205 63.200 0.261 0.000 0.838 778 S HN 0.411 nan 8.310 nan 0.000 0.462 779 V N 1.193 121.214 119.914 0.178 0.000 2.427 779 V HA -0.073 4.047 4.120 0.001 0.000 0.248 779 V C 2.680 178.529 176.094 -0.408 0.000 1.051 779 V CA 1.866 64.081 62.300 -0.143 0.000 1.048 779 V CB -1.013 30.695 31.823 -0.192 0.000 0.666 779 V HN 0.616 nan 8.190 nan 0.000 0.456 780 S N -0.752 114.864 115.700 -0.141 0.000 2.359 780 S HA -0.289 4.181 4.470 0.001 0.000 0.224 780 S C 2.029 176.600 174.600 -0.049 0.000 1.035 780 S CA 1.998 60.198 58.200 0.001 0.000 1.018 780 S CB -0.484 62.825 63.200 0.181 0.000 0.876 780 S HN 0.658 nan 8.310 nan 0.000 0.448 781 Y N 1.300 121.586 120.300 -0.024 0.000 2.224 781 Y HA -0.036 4.507 4.550 -0.011 0.000 0.289 781 Y C 2.048 177.878 175.900 -0.118 0.000 1.146 781 Y CA 1.617 59.726 58.100 0.015 0.000 1.182 781 Y CB -0.370 38.239 38.460 0.247 0.000 0.983 781 Y HN 0.386 nan 8.280 nan 0.000 0.524 782 L N -0.418 120.708 121.223 -0.162 0.000 1.994 782 L HA -0.227 4.114 4.340 0.001 0.000 0.208 782 L C 1.996 178.568 176.870 -0.497 0.000 1.071 782 L CA 1.939 56.447 54.840 -0.553 0.000 0.745 782 L CB -0.693 40.609 42.059 -1.262 0.000 0.892 782 L HN 0.153 nan 8.230 nan 0.000 0.431 783 M N -0.643 118.699 119.600 -0.431 0.000 2.229 783 M HA -0.121 4.359 4.480 0.001 0.000 0.264 783 M C 2.090 178.291 176.300 -0.164 0.000 1.063 783 M CA 1.607 56.744 55.300 -0.273 0.000 1.114 783 M CB -0.982 31.500 32.600 -0.197 0.000 1.387 783 M HN 0.324 nan 8.290 nan 0.000 0.420 784 K N -0.768 119.465 120.400 -0.278 0.000 2.350 784 K HA 0.085 4.405 4.320 0.001 0.000 0.196 784 K C 1.634 178.027 176.600 -0.345 0.000 1.084 784 K CA 0.172 56.241 56.287 -0.363 0.000 0.967 784 K CB 0.640 32.767 32.500 -0.622 0.000 0.950 784 K HN 0.024 nan 8.250 nan 0.000 0.512 785 K N -0.085 120.014 120.400 -0.501 0.000 2.353 785 K HA 0.272 4.592 4.320 0.001 0.000 0.195 785 K C 1.339 177.642 176.600 -0.495 0.000 1.031 785 K CA 0.498 56.404 56.287 -0.637 0.000 1.079 785 K CB 0.728 32.414 32.500 -1.358 0.000 0.857 785 K HN 0.154 nan 8.250 nan 0.000 0.535 786 M N -0.796 118.569 119.600 -0.391 0.000 2.583 786 M HA 0.148 4.628 4.480 0.001 0.000 0.217 786 M C 1.526 177.666 176.300 -0.267 0.000 1.655 786 M CA 0.062 55.194 55.300 -0.280 0.000 1.114 786 M CB 0.143 32.601 32.600 -0.236 0.000 1.384 786 M HN -0.176 nan 8.290 nan 0.000 0.562 787 I N 1.489 121.852 120.570 -0.345 0.000 2.118 787 I HA -0.177 3.993 4.170 0.001 0.000 0.241 787 I C -0.560 175.455 176.117 -0.169 0.000 1.070 787 I CA 2.139 63.225 61.300 -0.358 0.000 1.327 787 I CB -2.345 35.363 38.000 -0.488 0.000 1.034 787 I HN 0.110 nan 8.210 nan 0.000 0.405 788 P HA -0.131 nan 4.420 nan 0.000 0.216 788 P C 2.189 179.457 177.300 -0.054 0.000 1.150 788 P CA 1.244 64.327 63.100 -0.029 0.000 0.837 788 P CB -0.042 31.679 31.700 0.034 0.000 0.786 789 L N -1.658 119.512 121.223 -0.089 0.000 2.265 789 L HA -0.133 4.207 4.340 0.001 0.000 0.215 789 L C 2.298 179.110 176.870 -0.097 0.000 1.117 789 L CA 1.334 56.122 54.840 -0.086 0.000 0.782 789 L CB -0.942 41.057 42.059 -0.099 0.000 0.914 789 L HN -0.003 nan 8.230 nan 0.000 0.441 790 A N -0.429 122.323 122.820 -0.113 0.000 1.903 790 A HA -0.053 4.267 4.320 0.001 0.000 0.213 790 A C 2.293 179.771 177.584 -0.178 0.000 1.185 790 A CA 0.776 52.733 52.037 -0.133 0.000 0.628 790 A CB -0.566 18.375 19.000 -0.099 0.000 0.830 790 A HN 0.116 nan 8.150 nan 0.000 0.446 791 V N 0.571 120.417 119.914 -0.114 0.000 2.392 791 V HA -0.310 3.810 4.120 0.001 0.000 0.249 791 V C 2.511 178.525 176.094 -0.133 0.000 1.059 791 V CA 2.437 64.651 62.300 -0.143 0.000 1.051 791 V CB -0.682 31.167 31.823 0.042 0.000 0.658 791 V HN 0.789 nan 8.190 nan 0.000 0.455 792 E N 0.084 120.238 120.200 -0.077 0.000 2.038 792 E HA -0.261 4.089 4.350 0.001 0.000 0.195 792 E C 2.299 178.861 176.600 -0.064 0.000 1.000 792 E CA 1.354 57.727 56.400 -0.046 0.000 0.803 792 E CB -0.040 29.640 29.700 -0.035 0.000 0.750 792 E HN 0.424 nan 8.360 nan 0.000 0.448 793 K N 0.349 120.689 120.400 -0.099 0.000 2.097 793 K HA -0.125 4.195 4.320 0.001 0.000 0.206 793 K C 2.321 178.857 176.600 -0.107 0.000 1.049 793 K CA 0.830 57.062 56.287 -0.090 0.000 0.933 793 K CB -0.317 32.116 32.500 -0.112 0.000 0.717 793 K HN 0.313 nan 8.250 nan 0.000 0.442 794 L N 0.578 121.637 121.223 -0.273 0.000 2.093 794 L HA -0.119 4.221 4.340 0.001 0.000 0.208 794 L C 2.411 179.261 176.870 -0.032 0.000 1.085 794 L CA 0.755 55.338 54.840 -0.429 0.000 0.755 794 L CB -0.342 40.857 42.059 -1.433 0.000 0.904 794 L HN 0.091 nan 8.230 nan 0.000 0.435 795 L N -0.543 120.682 121.223 0.002 0.000 2.109 795 L HA -0.201 4.139 4.340 0.001 0.000 0.207 795 L C 2.285 179.204 176.870 0.083 0.000 1.086 795 L CA 0.958 55.889 54.840 0.153 0.000 0.760 795 L CB -0.496 41.639 42.059 0.126 0.000 0.910 795 L HN 0.303 nan 8.230 nan 0.000 0.437 796 D N 0.420 120.847 120.400 0.045 0.000 2.084 796 D HA -0.289 4.352 4.640 0.001 0.000 0.194 796 D C 2.049 178.369 176.300 0.034 0.000 0.990 796 D CA 1.420 55.438 54.000 0.030 0.000 0.826 796 D CB -0.155 40.659 40.800 0.023 0.000 0.971 796 D HN 0.235 nan 8.370 nan 0.000 0.453 797 F N 1.108 121.021 119.950 -0.061 0.000 2.161 797 F HA -0.153 4.374 4.527 0.000 0.000 0.300 797 F C 1.778 177.542 175.800 -0.060 0.000 1.089 797 F CA 1.716 59.668 58.000 -0.080 0.000 1.282 797 F CB -0.508 38.422 39.000 -0.116 0.000 1.010 797 F HN -0.130 nan 8.300 nan 0.000 0.485 798 D N 0.183 120.439 120.400 -0.240 0.000 2.092 798 D HA -0.237 4.403 4.640 0.001 0.000 0.193 798 D C 2.160 178.286 176.300 -0.290 0.000 0.994 798 D CA 1.646 55.473 54.000 -0.288 0.000 0.828 798 D CB -0.664 40.195 40.800 0.099 0.000 0.963 798 D HN 0.518 nan 8.370 nan 0.000 0.450 799 N N -0.709 117.900 118.700 -0.151 0.000 2.025 799 N HA -0.172 4.568 4.740 0.001 0.000 0.194 799 N C 1.502 176.913 175.510 -0.164 0.000 1.044 799 N CA 1.806 54.786 53.050 -0.118 0.000 0.851 799 N CB 0.028 38.480 38.487 -0.059 0.000 1.036 799 N HN 0.028 nan 8.380 nan 0.000 0.422 800 T N 1.292 115.736 114.554 -0.184 0.000 2.737 800 T HA -0.172 4.178 4.350 0.001 0.000 0.269 800 T C 1.748 176.298 174.700 -0.250 0.000 1.040 800 T CA 0.982 62.979 62.100 -0.171 0.000 1.142 800 T CB -0.273 68.519 68.868 -0.127 0.000 0.861 800 T HN 0.203 nan 8.240 nan 0.000 0.456 801 L N 0.775 121.716 121.223 -0.470 0.000 2.217 801 L HA 0.170 4.510 4.340 0.001 0.000 0.211 801 L C 2.189 178.898 176.870 -0.269 0.000 1.107 801 L CA 1.622 56.162 54.840 -0.500 0.000 0.783 801 L CB -0.428 41.072 42.059 -0.932 0.000 0.919 801 L HN 0.072 nan 8.230 nan 0.000 0.442 802 K N 0.246 120.516 120.400 -0.217 0.000 1.984 802 K HA -0.221 4.099 4.320 0.001 0.000 0.209 802 K C 2.149 178.704 176.600 -0.074 0.000 1.046 802 K CA 1.774 57.987 56.287 -0.124 0.000 0.934 802 K CB -0.101 32.338 32.500 -0.101 0.000 0.717 802 K HN 0.472 nan 8.250 nan 0.000 0.438 803 K N 0.129 120.488 120.400 -0.069 0.000 2.152 803 K HA -0.203 4.117 4.320 0.001 0.000 0.206 803 K C 1.786 178.380 176.600 -0.011 0.000 1.048 803 K CA 1.977 58.244 56.287 -0.034 0.000 0.933 803 K CB -0.355 32.125 32.500 -0.033 0.000 0.721 803 K HN 0.063 nan 8.250 nan 0.000 0.447 804 N N 0.876 119.559 118.700 -0.028 0.000 2.244 804 N HA -0.073 4.668 4.740 0.001 0.000 0.183 804 N C 1.546 177.089 175.510 0.055 0.000 1.016 804 N CA 0.934 53.990 53.050 0.011 0.000 0.866 804 N CB 0.007 38.483 38.487 -0.018 0.000 0.980 804 N HN 0.286 nan 8.380 nan 0.000 0.430 805 L N -0.401 120.836 121.223 0.024 0.000 2.249 805 L HA 0.080 4.420 4.340 0.001 0.000 0.207 805 L C 1.927 178.864 176.870 0.112 0.000 1.090 805 L CA 0.285 55.167 54.840 0.070 0.000 0.802 805 L CB -0.167 41.900 42.059 0.014 0.000 0.947 805 L HN 0.194 nan 8.230 nan 0.000 0.453 806 L N -0.351 120.906 121.223 0.057 0.000 2.044 806 L HA -0.180 4.160 4.340 0.001 0.000 0.205 806 L C 2.462 179.368 176.870 0.060 0.000 1.075 806 L CA 1.134 56.001 54.840 0.045 0.000 0.747 806 L CB -0.797 41.269 42.059 0.013 0.000 0.903 806 L HN 0.364 nan 8.230 nan 0.000 0.435 807 N N 0.146 118.883 118.700 0.063 0.000 2.149 807 N HA -0.288 4.452 4.740 0.001 0.000 0.188 807 N C 2.021 177.583 175.510 0.087 0.000 1.019 807 N CA 1.654 54.739 53.050 0.058 0.000 0.857 807 N CB -0.128 38.393 38.487 0.056 0.000 0.997 807 N HN 0.348 nan 8.380 nan 0.000 0.426 808 Y N 1.341 121.650 120.300 0.015 0.000 2.200 808 Y HA 0.018 4.568 4.550 0.001 0.000 0.290 808 Y C 2.309 178.229 175.900 0.033 0.000 1.137 808 Y CA 1.400 59.517 58.100 0.030 0.000 1.163 808 Y CB -0.280 38.208 38.460 0.046 0.000 0.988 808 Y HN 0.029 nan 8.280 nan 0.000 0.518 809 I N -0.061 120.574 120.570 0.107 0.000 2.676 809 I HA -0.218 3.953 4.170 0.001 0.000 0.259 809 I C 2.157 178.246 176.117 -0.046 0.000 1.194 809 I CA 1.317 62.632 61.300 0.025 0.000 1.473 809 I CB -0.389 37.662 38.000 0.085 0.000 1.096 809 I HN 0.343 nan 8.210 nan 0.000 0.443 810 D N 1.438 121.815 120.400 -0.039 0.000 2.091 810 D HA -0.175 4.465 4.640 0.001 0.000 0.199 810 D C 1.835 178.069 176.300 -0.111 0.000 0.980 810 D CA 1.238 55.204 54.000 -0.057 0.000 0.831 810 D CB 0.103 40.885 40.800 -0.031 0.000 0.987 810 D HN 0.364 nan 8.370 nan 0.000 0.460 811 E N -0.046 120.075 120.200 -0.132 0.000 2.267 811 E HA -0.121 4.229 4.350 0.001 0.000 0.197 811 E C 0.800 177.234 176.600 -0.276 0.000 0.998 811 E CA 0.539 56.835 56.400 -0.174 0.000 0.830 811 E CB 0.019 29.633 29.700 -0.144 0.000 0.751 811 E HN 0.240 nan 8.360 nan 0.000 0.491 812 N N 0.941 119.475 118.700 -0.276 0.000 2.273 812 N HA 0.001 4.741 4.740 0.001 0.000 0.231 812 N C 0.904 176.290 175.510 -0.206 0.000 1.134 812 N CA 0.124 53.008 53.050 -0.276 0.000 0.856 812 N CB 0.484 38.871 38.487 -0.166 0.000 1.068 812 N HN 0.283 nan 8.380 nan 0.000 0.510 813 K N 0.180 120.464 120.400 -0.193 0.000 2.160 813 K HA -0.125 4.195 4.320 0.001 0.000 0.206 813 K C 1.545 178.072 176.600 -0.122 0.000 1.047 813 K CA 0.964 57.179 56.287 -0.120 0.000 0.930 813 K CB -0.093 32.344 32.500 -0.105 0.000 0.720 813 K HN 0.109 nan 8.250 nan 0.000 0.450 814 L N 0.221 121.304 121.223 -0.233 0.000 2.004 814 L HA -0.082 4.258 4.340 0.001 0.000 0.205 814 L C 2.584 179.436 176.870 -0.030 0.000 1.089 814 L CA 1.189 55.920 54.840 -0.182 0.000 0.756 814 L CB -0.658 41.206 42.059 -0.325 0.000 0.900 814 L HN 0.131 nan 8.230 nan 0.000 0.440 815 Y N -0.011 120.279 120.300 -0.017 0.000 2.173 815 Y HA -0.338 4.212 4.550 0.000 0.000 0.282 815 Y C 2.505 178.409 175.900 0.007 0.000 1.192 815 Y CA 0.607 58.703 58.100 -0.006 0.000 1.176 815 Y CB -0.416 38.036 38.460 -0.012 0.000 0.969 815 Y HN 0.222 nan 8.280 nan 0.000 0.519 816 L N -0.461 120.846 121.223 0.141 0.000 2.240 816 L HA -0.071 4.270 4.340 0.001 0.000 0.211 816 L C 1.063 177.979 176.870 0.077 0.000 1.106 816 L CA 0.523 55.425 54.840 0.103 0.000 0.793 816 L CB -0.358 41.748 42.059 0.079 0.000 0.927 816 L HN 0.350 nan 8.230 nan 0.000 0.446 817 I N -1.148 119.457 120.570 0.057 0.000 2.244 817 I HA -0.290 3.880 4.170 0.001 0.000 0.292 817 I C 0.923 177.060 176.117 0.034 0.000 3.022 817 I CA 0.893 62.217 61.300 0.041 0.000 1.001 817 I CB -1.361 36.665 38.000 0.043 0.000 2.441 817 I HN 0.182 nan 8.210 nan 0.000 0.657 818 G N 0.655 109.474 108.800 0.031 0.000 3.506 818 G HA2 0.518 4.478 3.960 0.001 0.000 0.268 818 G HA3 0.518 4.478 3.960 0.001 0.000 0.268 818 G C 0.338 175.265 174.900 0.044 0.000 0.959 818 G CA 0.619 45.736 45.100 0.030 0.000 1.823 818 G HN 0.932 nan 8.290 nan 0.000 0.615 819 S N -1.330 114.414 115.700 0.073 0.000 2.227 819 S HA 0.178 4.648 4.470 0.001 0.000 0.267 819 S C 1.939 176.630 174.600 0.152 0.000 0.987 819 S CA 0.897 59.175 58.200 0.131 0.000 1.448 819 S CB -0.227 63.053 63.200 0.133 0.000 1.118 819 S HN 0.762 nan 8.310 nan 0.000 0.555 820 A N 1.377 124.254 122.820 0.095 0.000 2.245 820 A HA -0.037 4.283 4.320 0.001 0.000 0.217 820 A C 1.930 179.554 177.584 0.065 0.000 1.171 820 A CA 2.012 54.092 52.037 0.071 0.000 0.688 820 A CB -0.594 18.425 19.000 0.031 0.000 0.781 820 A HN 0.590 nan 8.150 nan 0.000 0.479 821 E N -1.827 118.425 120.200 0.086 0.000 2.162 821 E HA -0.014 4.336 4.350 0.001 0.000 0.193 821 E C 1.632 178.294 176.600 0.102 0.000 0.953 821 E CA 0.722 57.167 56.400 0.074 0.000 0.849 821 E CB -0.535 29.206 29.700 0.068 0.000 0.810 821 E HN 0.559 nan 8.360 nan 0.000 0.470 822 Y N 1.922 122.234 120.300 0.021 0.000 2.081 822 Y HA -0.187 4.363 4.550 0.001 0.000 0.280 822 Y C 1.662 177.579 175.900 0.028 0.000 1.163 822 Y CA 2.521 60.634 58.100 0.022 0.000 1.135 822 Y CB -0.230 38.245 38.460 0.024 0.000 0.970 822 Y HN 0.102 nan 8.280 nan 0.000 0.498 823 E N -0.371 119.739 120.200 -0.149 0.000 2.285 823 E HA -0.150 4.200 4.350 0.001 0.000 0.194 823 E C 1.991 178.521 176.600 -0.117 0.000 0.997 823 E CA 0.730 56.986 56.400 -0.240 0.000 0.845 823 E CB -0.088 29.591 29.700 -0.035 0.000 0.782 823 E HN 0.256 nan 8.360 nan 0.000 0.491 824 K N 1.148 121.523 120.400 -0.042 0.000 2.160 824 K HA -0.159 4.162 4.320 0.001 0.000 0.206 824 K C 2.032 178.604 176.600 -0.047 0.000 1.047 824 K CA 1.801 58.076 56.287 -0.019 0.000 0.930 824 K CB -0.059 32.444 32.500 0.004 0.000 0.720 824 K HN 0.122 nan 8.250 nan 0.000 0.450 825 S N -0.718 114.934 115.700 -0.080 0.000 2.456 825 S HA 0.011 4.481 4.470 0.001 0.000 0.224 825 S C 1.884 176.409 174.600 -0.124 0.000 1.035 825 S CA 0.301 58.452 58.200 -0.082 0.000 0.940 825 S CB -0.166 62.997 63.200 -0.060 0.000 0.799 825 S HN 0.314 nan 8.310 nan 0.000 0.508 826 K N 1.153 121.421 120.400 -0.219 0.000 2.281 826 K HA -0.010 4.311 4.320 0.001 0.000 0.203 826 K C 1.462 177.985 176.600 -0.129 0.000 1.046 826 K CA 1.156 57.300 56.287 -0.239 0.000 0.938 826 K CB -0.192 32.070 32.500 -0.397 0.000 0.737 826 K HN 0.324 nan 8.250 nan 0.000 0.458 827 V N 1.094 120.951 119.914 -0.096 0.000 2.878 827 V HA -0.094 4.026 4.120 0.001 0.000 0.250 827 V C 1.299 177.356 176.094 -0.061 0.000 1.075 827 V CA 1.351 63.615 62.300 -0.060 0.000 1.096 827 V CB -0.289 31.512 31.823 -0.036 0.000 0.724 827 V HN 0.361 nan 8.190 nan 0.000 0.467 828 N N 0.866 119.530 118.700 -0.060 0.000 2.290 828 N HA -0.085 4.656 4.740 0.001 0.000 0.179 828 N C 1.791 177.270 175.510 -0.051 0.000 1.016 828 N CA 0.955 53.974 53.050 -0.051 0.000 0.871 828 N CB -0.183 38.279 38.487 -0.042 0.000 0.987 828 N HN 0.599 nan 8.380 nan 0.000 0.431 829 K N -0.846 119.521 120.400 -0.056 0.000 2.288 829 K HA -0.110 4.211 4.320 0.001 0.000 0.201 829 K C 2.206 178.774 176.600 -0.053 0.000 1.048 829 K CA 1.383 57.641 56.287 -0.048 0.000 0.956 829 K CB -0.652 31.820 32.500 -0.045 0.000 0.746 829 K HN 0.362 nan 8.250 nan 0.000 0.461 830 Y N 1.999 122.261 120.300 -0.063 0.000 2.201 830 Y HA 0.233 4.784 4.550 0.001 0.000 0.292 830 Y C 2.021 177.865 175.900 -0.093 0.000 1.119 830 Y CA 0.516 58.574 58.100 -0.071 0.000 1.127 830 Y CB -0.547 37.877 38.460 -0.059 0.000 1.019 830 Y HN -0.001 nan 8.280 nan 0.000 0.514 831 L N 0.912 122.084 121.223 -0.085 0.000 2.762 831 L HA 0.026 4.366 4.340 0.001 0.000 0.250 831 L C 1.759 178.586 176.870 -0.072 0.000 1.160 831 L CA 0.913 55.699 54.840 -0.091 0.000 0.951 831 L CB -0.151 41.856 42.059 -0.087 0.000 1.148 831 L HN 0.361 nan 8.230 nan 0.000 0.424 832 K N 0.329 120.687 120.400 -0.071 0.000 2.287 832 K HA 0.046 4.367 4.320 0.001 0.000 0.199 832 K C 0.800 177.369 176.600 -0.052 0.000 1.061 832 K CA 0.525 56.784 56.287 -0.047 0.000 0.976 832 K CB 0.401 32.879 32.500 -0.036 0.000 0.898 832 K HN 0.161 nan 8.250 nan 0.000 0.492 833 T N 1.420 115.925 114.554 -0.082 0.000 2.738 833 T HA 0.410 4.761 4.350 0.001 0.000 0.298 833 T C 0.629 175.206 174.700 -0.205 0.000 0.962 833 T CA -0.855 61.192 62.100 -0.089 0.000 0.972 833 T CB -0.017 68.814 68.868 -0.063 0.000 0.928 833 T HN 0.248 nan 8.240 nan 0.000 0.474 834 I N 1.467 121.928 120.570 -0.182 0.000 2.474 834 I HA 0.389 4.560 4.170 0.001 0.000 0.287 834 I C 0.499 176.450 176.117 -0.277 0.000 1.048 834 I CA -1.128 59.923 61.300 -0.414 0.000 1.383 834 I CB 0.941 38.945 38.000 0.007 0.000 1.412 834 I HN 0.674 nan 8.210 nan 0.000 0.531 835 M N 7.856 127.141 119.600 -0.526 0.000 2.356 835 M HA 0.263 4.744 4.480 0.001 0.000 0.348 835 M C -2.289 174.261 176.300 0.417 0.000 1.595 835 M CA -1.093 54.206 55.300 -0.001 0.000 1.095 835 M CB 0.118 32.749 32.600 0.052 0.000 1.963 835 M HN 0.445 nan 8.290 nan 0.000 0.459 836 P HA 0.043 nan 4.420 nan 0.000 0.271 836 P C -1.133 176.440 177.300 0.455 0.000 1.220 836 P CA -0.129 63.184 63.100 0.355 0.000 0.768 836 P CB 0.170 32.001 31.700 0.218 0.000 0.848 837 F N 3.659 123.764 119.950 0.259 0.000 2.495 837 F HA 0.285 4.813 4.527 0.003 0.000 0.365 837 F C 0.081 175.997 175.800 0.194 0.000 1.090 837 F CA -0.078 57.942 58.000 0.032 0.000 1.235 837 F CB 0.306 39.022 39.000 -0.473 0.000 1.119 837 F HN 0.197 nan 8.300 nan 0.000 0.562 838 D N 5.933 125.883 120.400 -0.750 0.000 2.575 838 D HA 0.142 4.782 4.640 0.001 0.000 0.250 838 D C 0.375 176.111 176.300 -0.941 0.000 1.279 838 D CA -0.529 53.121 54.000 -0.582 0.000 0.925 838 D CB 1.155 41.863 40.800 -0.154 0.000 1.261 838 D HN 0.531 nan 8.370 nan 0.000 0.567 839 L N 3.693 124.074 121.223 -1.403 0.000 2.079 839 L HA -0.103 4.238 4.340 0.001 0.000 0.210 839 L C 1.947 178.615 176.870 -0.337 0.000 1.081 839 L CA 2.522 56.831 54.840 -0.886 0.000 0.752 839 L CB -0.784 40.541 42.059 -1.223 0.000 0.896 839 L HN 0.553 nan 8.230 nan 0.000 0.433 840 S N -1.262 114.277 115.700 -0.267 0.000 2.500 840 S HA -0.126 4.345 4.470 0.001 0.000 0.239 840 S C 1.863 176.348 174.600 -0.191 0.000 0.989 840 S CA 0.997 59.119 58.200 -0.131 0.000 0.951 840 S CB -0.780 62.388 63.200 -0.053 0.000 0.759 840 S HN 0.428 nan 8.310 nan 0.000 0.523 841 I N 0.191 120.558 120.570 -0.338 0.000 2.584 841 I HA 0.045 4.215 4.170 0.001 0.000 0.255 841 I C 1.266 177.003 176.117 -0.634 0.000 1.145 841 I CA 0.923 61.904 61.300 -0.531 0.000 1.462 841 I CB -1.137 36.394 38.000 -0.782 0.000 1.102 841 I HN 0.321 nan 8.210 nan 0.000 0.433 842 Y N 0.163 120.441 120.300 -0.037 0.000 2.458 842 Y HA 0.242 4.793 4.550 0.002 0.000 0.256 842 Y C 0.995 176.913 175.900 0.031 0.000 1.159 842 Y CA -0.129 57.991 58.100 0.033 0.000 1.261 842 Y CB 0.281 38.801 38.460 0.101 0.000 1.119 842 Y HN 0.012 nan 8.280 nan 0.000 0.524 843 T N -0.210 114.380 114.554 0.060 0.000 2.907 843 T HA 0.244 4.594 4.350 0.001 0.000 0.344 843 T C -0.968 173.742 174.700 0.017 0.000 1.675 843 T CA -0.732 61.406 62.100 0.064 0.000 1.076 843 T CB 0.391 69.334 68.868 0.125 0.000 1.483 843 T HN 0.257 nan 8.240 nan 0.000 0.487 844 N N 1.126 119.839 118.700 0.021 0.000 2.197 844 N HA 0.199 4.939 4.740 0.001 0.000 0.228 844 N C -0.320 175.212 175.510 0.037 0.000 1.212 844 N CA -0.616 52.441 53.050 0.012 0.000 0.883 844 N CB 0.489 38.968 38.487 -0.012 0.000 1.107 844 N HN 0.594 nan 8.380 nan 0.000 0.519 845 D N 0.900 121.337 120.400 0.061 0.000 2.472 845 D HA -0.028 4.612 4.640 0.001 0.000 0.248 845 D C 0.436 176.783 176.300 0.078 0.000 1.174 845 D CA 0.521 54.566 54.000 0.074 0.000 0.883 845 D CB 1.009 41.867 40.800 0.096 0.000 1.149 845 D HN 0.138 nan 8.370 nan 0.000 0.488 846 T N 4.886 119.481 114.554 0.067 0.000 2.684 846 T HA -0.151 4.199 4.350 0.001 0.000 0.267 846 T C 1.941 176.695 174.700 0.091 0.000 1.036 846 T CA 0.584 62.727 62.100 0.071 0.000 1.148 846 T CB 0.119 69.022 68.868 0.058 0.000 0.863 846 T HN 0.506 nan 8.240 nan 0.000 0.436 847 I N 1.058 121.684 120.570 0.093 0.000 2.226 847 I HA -0.080 4.091 4.170 0.001 0.000 0.245 847 I C 2.359 178.561 176.117 0.141 0.000 1.100 847 I CA 1.224 62.589 61.300 0.107 0.000 1.374 847 I CB -1.408 36.650 38.000 0.097 0.000 1.057 847 I HN 0.282 nan 8.210 nan 0.000 0.413 848 L N 0.004 121.317 121.223 0.150 0.000 2.027 848 L HA -0.188 4.152 4.340 0.001 0.000 0.206 848 L C 2.603 179.609 176.870 0.228 0.000 1.074 848 L CA 0.943 55.909 54.840 0.211 0.000 0.745 848 L CB -0.446 41.737 42.059 0.207 0.000 0.898 848 L HN 0.124 nan 8.230 nan 0.000 0.433 849 I N 0.243 120.917 120.570 0.173 0.000 2.163 849 I HA -0.267 3.904 4.170 0.001 0.000 0.243 849 I C 2.478 178.728 176.117 0.222 0.000 1.085 849 I CA 1.630 63.042 61.300 0.187 0.000 1.347 849 I CB -1.183 36.889 38.000 0.121 0.000 1.044 849 I HN 0.372 nan 8.210 nan 0.000 0.408 850 E N 0.276 120.577 120.200 0.168 0.000 2.077 850 E HA -0.246 4.104 4.350 0.001 0.000 0.193 850 E C 2.264 178.972 176.600 0.179 0.000 0.989 850 E CA 1.158 57.647 56.400 0.148 0.000 0.800 850 E CB -0.212 29.557 29.700 0.115 0.000 0.746 850 E HN 0.408 nan 8.360 nan 0.000 0.452 851 M N 0.047 119.775 119.600 0.215 0.000 2.073 851 M HA -0.212 4.269 4.480 0.001 0.000 0.258 851 M C 2.131 178.610 176.300 0.299 0.000 1.070 851 M CA 1.554 57.000 55.300 0.244 0.000 1.103 851 M CB -0.149 32.622 32.600 0.285 0.000 1.321 851 M HN 0.097 nan 8.290 nan 0.000 0.405 852 F N 1.101 121.133 119.950 0.136 0.000 2.113 852 F HA -0.221 4.305 4.527 -0.002 0.000 0.297 852 F C 2.118 177.999 175.800 0.134 0.000 1.103 852 F CA 1.588 59.652 58.000 0.106 0.000 1.248 852 F CB -0.584 38.455 39.000 0.065 0.000 0.999 852 F HN 0.218 nan 8.300 nan 0.000 0.475 853 N N 0.678 119.462 118.700 0.141 0.000 2.166 853 N HA -0.208 4.532 4.740 0.001 0.000 0.186 853 N C 1.919 177.439 175.510 0.016 0.000 1.019 853 N CA 1.334 54.395 53.050 0.018 0.000 0.856 853 N CB -0.556 37.976 38.487 0.074 0.000 0.993 853 N HN 0.368 nan 8.380 nan 0.000 0.426 854 K N 0.212 120.660 120.400 0.079 0.000 2.002 854 K HA -0.195 4.125 4.320 0.001 0.000 0.209 854 K C 2.158 178.798 176.600 0.068 0.000 1.048 854 K CA 1.061 57.392 56.287 0.073 0.000 0.930 854 K CB -0.336 32.226 32.500 0.103 0.000 0.714 854 K HN 0.115 nan 8.250 nan 0.000 0.438 855 Y N 1.902 122.184 120.300 -0.031 0.000 2.081 855 Y HA -0.254 4.295 4.550 -0.003 0.000 0.280 855 Y C 1.618 177.459 175.900 -0.099 0.000 1.163 855 Y CA 2.096 60.166 58.100 -0.050 0.000 1.135 855 Y CB -0.166 38.269 38.460 -0.042 0.000 0.970 855 Y HN 0.234 nan 8.280 nan 0.000 0.498 856 N N -0.252 118.457 118.700 0.016 0.000 2.571 856 N HA -0.092 4.649 4.740 0.001 0.000 0.189 856 N C 1.606 177.072 175.510 -0.072 0.000 1.154 856 N CA 1.116 54.121 53.050 -0.076 0.000 0.907 856 N CB -0.278 38.076 38.487 -0.222 0.000 0.977 856 N HN 0.515 nan 8.380 nan 0.000 0.449 857 S N -0.775 114.888 115.700 -0.061 0.000 2.517 857 S HA 0.138 4.609 4.470 0.001 0.000 0.214 857 S C 0.464 175.033 174.600 -0.053 0.000 0.991 857 S CA -0.297 57.878 58.200 -0.043 0.000 0.906 857 S CB 0.183 63.370 63.200 -0.022 0.000 0.789 857 S HN 0.095 nan 8.310 nan 0.000 0.513 858 E N 1.099 121.242 120.200 -0.094 0.000 2.044 858 E HA 0.303 4.653 4.350 0.001 0.000 0.282 858 E C 0.405 176.950 176.600 -0.091 0.000 1.031 858 E CA -0.345 55.994 56.400 -0.102 0.000 0.824 858 E CB 1.011 30.621 29.700 -0.151 0.000 1.076 858 E HN 0.203 nan 8.360 nan 0.000 0.395 859 I N 4.096 124.649 120.570 -0.030 0.000 2.300 859 I HA -0.309 3.861 4.170 0.001 0.000 0.252 859 I C 1.426 177.609 176.117 0.110 0.000 1.119 859 I CA 1.524 62.846 61.300 0.037 0.000 1.384 859 I CB 0.055 38.067 38.000 0.021 0.000 1.062 859 I HN 0.649 nan 8.210 nan 0.000 0.426 860 L N 0.112 121.360 121.223 0.041 0.000 2.362 860 L HA -0.155 4.185 4.340 0.001 0.000 0.219 860 L C 1.596 178.414 176.870 -0.087 0.000 1.134 860 L CA 0.680 55.531 54.840 0.018 0.000 0.807 860 L CB -0.816 41.232 42.059 -0.019 0.000 0.927 860 L HN 0.317 nan 8.230 nan 0.000 0.447 861 N N -0.046 118.559 118.700 -0.158 0.000 2.461 861 N HA -0.047 4.693 4.740 0.001 0.000 0.188 861 N C 0.912 176.397 175.510 -0.041 0.000 1.134 861 N CA 0.432 53.339 53.050 -0.238 0.000 0.878 861 N CB 0.034 38.117 38.487 -0.673 0.000 0.972 861 N HN 0.383 nan 8.380 nan 0.000 0.456 862 N N 0.537 119.244 118.700 0.012 0.000 2.270 862 N HA 0.145 4.885 4.740 0.001 0.000 0.198 862 N C -0.035 175.444 175.510 -0.053 0.000 1.117 862 N CA -0.006 53.090 53.050 0.077 0.000 0.845 862 N CB 1.095 39.696 38.487 0.190 0.000 0.980 862 N HN 0.219 nan 8.380 nan 0.000 0.486 863 I N 2.398 122.830 120.570 -0.231 0.000 2.363 863 I HA 0.072 4.242 4.170 0.001 0.000 0.292 863 I C 1.519 177.557 176.117 -0.131 0.000 1.075 863 I CA -0.013 60.991 61.300 -0.494 0.000 1.333 863 I CB 0.585 38.272 38.000 -0.521 0.000 1.415 863 I HN 0.029 nan 8.210 nan 0.000 0.502 864 I N 4.814 125.281 120.570 -0.172 0.000 3.976 864 I HA 0.410 4.580 4.170 0.001 0.000 0.337 864 I C -0.449 175.659 176.117 -0.015 0.000 1.359 864 I CA 0.003 61.244 61.300 -0.099 0.000 1.098 864 I CB 0.609 38.374 38.000 -0.392 0.000 1.027 864 I HN 0.399 nan 8.210 nan 0.000 0.394 865 L N 1.584 122.800 121.223 -0.011 0.000 2.751 865 L HA 0.514 4.854 4.340 0.001 0.000 0.261 865 L C -1.985 174.924 176.870 0.065 0.000 0.927 865 L CA -0.208 54.684 54.840 0.087 0.000 0.968 865 L CB 1.816 43.989 42.059 0.189 0.000 1.432 865 L HN 0.120 nan 8.230 nan 0.000 0.439 866 N N 4.736 123.491 118.700 0.092 0.000 2.675 866 N HA 0.406 5.146 4.740 0.001 0.000 0.254 866 N C -1.631 173.971 175.510 0.153 0.000 1.224 866 N CA -0.286 52.820 53.050 0.093 0.000 0.777 866 N CB 0.842 39.327 38.487 -0.003 0.000 1.256 866 N HN 0.603 nan 8.380 nan 0.000 0.531 867 L N 2.943 124.318 121.223 0.253 0.000 2.433 867 L HA 0.351 4.692 4.340 0.001 0.000 0.275 867 L C 0.625 177.650 176.870 0.258 0.000 1.128 867 L CA -0.030 54.940 54.840 0.217 0.000 0.875 867 L CB 0.161 42.345 42.059 0.209 0.000 1.171 867 L HN 0.161 nan 8.230 nan 0.000 0.463 868 R N 2.520 123.132 120.500 0.186 0.000 2.837 868 R HA 0.326 4.666 4.340 0.001 0.000 0.271 868 R C -1.075 175.347 176.300 0.203 0.000 0.993 868 R CA -1.034 55.211 56.100 0.241 0.000 0.931 868 R CB 1.828 32.243 30.300 0.192 0.000 1.206 868 R HN 0.360 nan 8.270 nan 0.000 0.474 869 Y N 1.543 121.921 120.300 0.130 0.000 2.335 869 Y HA 0.279 4.832 4.550 0.005 0.000 0.331 869 Y C -0.637 175.299 175.900 0.060 0.000 1.094 869 Y CA 0.312 58.464 58.100 0.088 0.000 1.253 869 Y CB 0.726 39.246 38.460 0.101 0.000 1.203 869 Y HN 0.113 nan 8.280 nan 0.000 0.508 870 K N 5.533 125.604 120.400 -0.548 0.000 2.588 870 K HA 0.133 4.453 4.320 0.001 0.000 0.250 870 K C -1.376 174.906 176.600 -0.530 0.000 0.972 870 K CA -0.626 55.429 56.287 -0.387 0.000 0.821 870 K CB 1.439 33.848 32.500 -0.153 0.000 1.249 870 K HN 0.906 nan 8.250 nan 0.000 0.442 871 D N 2.291 122.449 120.400 -0.404 0.000 2.803 871 D HA -0.251 4.389 4.640 0.001 0.000 0.233 871 D C 0.085 176.194 176.300 -0.318 0.000 1.182 871 D CA 0.893 54.744 54.000 -0.247 0.000 0.726 871 D CB -0.729 39.989 40.800 -0.136 0.000 0.987 871 D HN 0.931 nan 8.370 nan 0.000 0.412 872 N N 0.292 118.715 118.700 -0.463 0.000 2.714 872 N HA -0.283 4.458 4.740 0.001 0.000 0.252 872 N C -0.651 174.722 175.510 -0.229 0.000 1.014 872 N CA 1.170 54.106 53.050 -0.190 0.000 0.735 872 N CB -0.638 37.860 38.487 0.017 0.000 0.924 872 N HN 0.719 nan 8.380 nan 0.000 0.540 873 N N -0.384 118.053 118.700 -0.438 0.000 2.961 873 N HA 0.380 5.121 4.740 0.001 0.000 0.245 873 N C -1.649 173.719 175.510 -0.237 0.000 1.404 873 N CA -0.682 52.222 53.050 -0.244 0.000 0.880 873 N CB 1.128 39.496 38.487 -0.199 0.000 1.461 873 N HN 0.019 nan 8.380 nan 0.000 0.510 874 L N 3.037 124.170 121.223 -0.149 0.000 2.307 874 L HA 0.659 4.999 4.340 0.001 0.000 0.284 874 L C -0.298 176.510 176.870 -0.104 0.000 1.023 874 L CA -0.736 54.042 54.840 -0.103 0.000 0.810 874 L CB 1.334 43.297 42.059 -0.160 0.000 1.231 874 L HN 0.504 nan 8.230 nan 0.000 0.423 875 I N -1.523 119.013 120.570 -0.056 0.000 2.994 875 I HA 0.513 4.683 4.170 0.001 0.000 0.306 875 I C -1.229 174.887 176.117 -0.002 0.000 1.195 875 I CA -0.950 60.323 61.300 -0.046 0.000 1.001 875 I CB 2.385 40.348 38.000 -0.060 0.000 1.244 875 I HN 0.369 nan 8.210 nan 0.000 0.437 876 D N 3.541 123.944 120.400 0.004 0.000 2.316 876 D HA 0.351 4.991 4.640 0.001 0.000 0.245 876 D C 0.092 176.394 176.300 0.003 0.000 1.171 876 D CA -0.152 53.868 54.000 0.034 0.000 0.856 876 D CB 1.121 41.952 40.800 0.052 0.000 1.090 876 D HN 0.642 nan 8.370 nan 0.000 0.476 877 L N 3.060 124.286 121.223 0.004 0.000 2.700 877 L HA 0.066 4.406 4.340 0.001 0.000 0.234 877 L C 1.958 178.788 176.870 -0.067 0.000 1.156 877 L CA -0.037 54.779 54.840 -0.041 0.000 0.946 877 L CB -0.119 41.921 42.059 -0.032 0.000 1.216 877 L HN 0.424 nan 8.230 nan 0.000 0.493 878 S N -0.527 115.153 115.700 -0.034 0.000 2.447 878 S HA -0.042 4.428 4.470 0.001 0.000 0.233 878 S C 1.709 176.214 174.600 -0.158 0.000 1.006 878 S CA 0.917 59.091 58.200 -0.045 0.000 0.957 878 S CB 0.031 63.276 63.200 0.076 0.000 0.773 878 S HN 0.561 nan 8.310 nan 0.000 0.507 879 G N -0.166 108.532 108.800 -0.169 0.000 2.194 879 G HA2 -0.282 3.679 3.960 0.001 0.000 0.236 879 G HA3 -0.282 3.679 3.960 0.001 0.000 0.236 879 G C 0.365 175.057 174.900 -0.346 0.000 0.987 879 G CA 0.275 45.204 45.100 -0.286 0.000 0.635 879 G HN 0.600 nan 8.290 nan 0.000 0.520 880 Y N 0.889 121.148 120.300 -0.068 0.000 2.466 880 Y HA 0.375 4.929 4.550 0.007 0.000 0.272 880 Y C 2.119 177.989 175.900 -0.051 0.000 1.169 880 Y CA 0.690 58.753 58.100 -0.061 0.000 1.285 880 Y CB 0.544 38.976 38.460 -0.047 0.000 1.078 880 Y HN 0.874 nan 8.280 nan 0.000 0.523 881 G N 1.037 109.863 108.800 0.045 0.000 2.273 881 G HA2 -0.255 3.705 3.960 0.001 0.000 0.280 881 G HA3 -0.255 3.705 3.960 0.001 0.000 0.280 881 G C 0.312 175.235 174.900 0.038 0.000 1.047 881 G CA 0.019 45.130 45.100 0.018 0.000 0.869 881 G HN 0.616 nan 8.290 nan 0.000 0.502 882 A N -0.153 122.705 122.820 0.064 0.000 2.498 882 A HA 0.513 4.833 4.320 0.001 0.000 0.239 882 A C 0.822 178.426 177.584 0.033 0.000 1.068 882 A CA 0.280 52.355 52.037 0.064 0.000 0.766 882 A CB 0.433 19.490 19.000 0.095 0.000 1.003 882 A HN 0.322 nan 8.150 nan 0.000 0.497 883 K N 1.705 122.121 120.400 0.026 0.000 2.258 883 K HA 0.417 4.738 4.320 0.001 0.000 0.284 883 K C -0.894 175.703 176.600 -0.005 0.000 1.051 883 K CA -0.216 56.072 56.287 0.001 0.000 0.923 883 K CB 1.259 33.759 32.500 -0.000 0.000 1.046 883 K HN 0.337 nan 8.250 nan 0.000 0.474 884 V N 3.239 123.128 119.914 -0.041 0.000 2.407 884 V HA 0.185 4.305 4.120 0.001 0.000 0.291 884 V C -0.059 175.951 176.094 -0.140 0.000 1.018 884 V CA -0.841 61.415 62.300 -0.074 0.000 0.842 884 V CB 1.714 33.484 31.823 -0.090 0.000 0.996 884 V HN 0.540 nan 8.190 nan 0.000 0.426 885 E N 3.578 123.672 120.200 -0.176 0.000 2.092 885 E HA 0.405 4.755 4.350 0.001 0.000 0.271 885 E C -1.008 175.296 176.600 -0.494 0.000 0.919 885 E CA -0.311 55.871 56.400 -0.362 0.000 0.760 885 E CB 2.124 31.586 29.700 -0.396 0.000 1.106 885 E HN 0.433 nan 8.360 nan 0.000 0.408 886 V N 5.469 125.102 119.914 -0.470 0.000 2.350 886 V HA 0.241 4.362 4.120 0.001 0.000 0.276 886 V C -0.277 175.567 176.094 -0.417 0.000 1.028 886 V CA -0.642 61.438 62.300 -0.367 0.000 0.860 886 V CB -0.081 31.596 31.823 -0.244 0.000 0.990 886 V HN 0.498 nan 8.190 nan 0.000 0.453 887 Y N 1.750 122.012 120.300 -0.063 0.000 2.334 887 Y HA 0.155 4.708 4.550 0.004 0.000 0.325 887 Y C 1.557 177.436 175.900 -0.036 0.000 1.308 887 Y CA -0.203 57.872 58.100 -0.042 0.000 1.389 887 Y CB 0.488 38.929 38.460 -0.032 0.000 1.328 887 Y HN 0.606 nan 8.280 nan 0.000 0.532 888 D N 0.657 121.145 120.400 0.146 0.000 2.190 888 D HA -0.155 4.485 4.640 0.001 0.000 0.200 888 D C 2.034 178.363 176.300 0.048 0.000 0.992 888 D CA 1.840 55.882 54.000 0.070 0.000 0.854 888 D CB -0.208 40.629 40.800 0.062 0.000 0.936 888 D HN 0.813 nan 8.370 nan 0.000 0.462 889 G N -0.816 108.020 108.800 0.059 0.000 2.848 889 G HA2 0.058 4.018 3.960 0.001 0.000 0.208 889 G HA3 0.058 4.018 3.960 0.001 0.000 0.208 889 G C 0.210 175.116 174.900 0.010 0.000 1.152 889 G CA -0.080 45.035 45.100 0.025 0.000 0.789 889 G HN 0.120 nan 8.290 nan 0.000 0.531 890 V N 0.689 120.615 119.914 0.020 0.000 2.383 890 V HA 0.271 4.391 4.120 0.001 0.000 0.275 890 V C -0.078 176.020 176.094 0.007 0.000 1.036 890 V CA -0.921 61.380 62.300 0.003 0.000 0.889 890 V CB 1.670 33.480 31.823 -0.020 0.000 0.985 890 V HN 0.315 nan 8.190 nan 0.000 0.459 891 E N 4.968 125.156 120.200 -0.020 0.000 2.200 891 E HA 0.585 4.935 4.350 0.001 0.000 0.283 891 E C -1.340 175.352 176.600 0.153 0.000 1.015 891 E CA -0.465 55.951 56.400 0.026 0.000 0.819 891 E CB 0.991 30.657 29.700 -0.056 0.000 1.081 891 E HN 0.584 nan 8.360 nan 0.000 0.397 892 L N 3.963 125.315 121.223 0.215 0.000 2.354 892 L HA 0.528 4.868 4.340 0.001 0.000 0.269 892 L C -0.525 176.492 176.870 0.245 0.000 1.005 892 L CA -1.184 53.842 54.840 0.309 0.000 0.819 892 L CB 1.778 44.050 42.059 0.355 0.000 1.311 892 L HN 0.599 nan 8.230 nan 0.000 0.423 893 N N -1.576 117.188 118.700 0.106 0.000 2.357 893 N HA 0.253 4.993 4.740 0.001 0.000 0.284 893 N C -0.404 174.688 175.510 -0.696 0.000 1.236 893 N CA -0.957 52.007 53.050 -0.144 0.000 0.774 893 N CB 0.944 39.407 38.487 -0.041 0.000 1.534 893 N HN 0.549 nan 8.380 nan 0.000 0.478 894 D N -0.792 119.153 120.400 -0.758 0.000 2.390 894 D HA -0.080 4.560 4.640 0.001 0.000 0.235 894 D C 0.193 176.215 176.300 -0.463 0.000 1.040 894 D CA 0.786 54.229 54.000 -0.927 0.000 0.923 894 D CB -0.051 40.529 40.800 -0.367 0.000 0.886 894 D HN 0.615 nan 8.370 nan 0.000 0.532 895 K N -0.048 120.135 120.400 -0.361 0.000 2.410 895 K HA 0.114 4.435 4.320 0.001 0.000 0.200 895 K C 0.084 176.509 176.600 -0.291 0.000 1.023 895 K CA -0.266 55.860 56.287 -0.268 0.000 1.149 895 K CB 0.025 32.365 32.500 -0.267 0.000 0.859 895 K HN -0.008 nan 8.250 nan 0.000 0.514 896 N N 1.967 120.529 118.700 -0.230 0.000 2.782 896 N HA -0.180 4.560 4.740 0.001 0.000 0.251 896 N C -0.994 174.508 175.510 -0.014 0.000 1.101 896 N CA 0.957 53.966 53.050 -0.067 0.000 0.764 896 N CB -0.626 37.779 38.487 -0.137 0.000 1.122 896 N HN 0.455 nan 8.380 nan 0.000 0.561 897 Q N 0.129 119.953 119.800 0.039 0.000 2.230 897 Q HA 0.566 4.907 4.340 0.001 0.000 0.253 897 Q C -0.202 176.149 176.000 0.584 0.000 0.919 897 Q CA -0.416 55.556 55.803 0.282 0.000 0.908 897 Q CB 0.932 29.826 28.738 0.260 0.000 1.245 897 Q HN 0.313 nan 8.270 nan 0.000 0.437 898 F N -1.068 119.221 119.950 0.566 0.000 2.578 898 F HA 0.612 5.139 4.527 0.001 0.000 0.311 898 F C -1.103 174.735 175.800 0.063 0.000 1.094 898 F CA -1.279 56.898 58.000 0.295 0.000 0.923 898 F CB 1.400 40.489 39.000 0.148 0.000 1.230 898 F HN 0.256 nan 8.300 nan 0.000 0.450 899 K N 4.745 125.007 120.400 -0.230 0.000 2.235 899 K HA 0.628 4.949 4.320 0.001 0.000 0.266 899 K C -1.730 174.738 176.600 -0.221 0.000 0.980 899 K CA -0.613 55.204 56.287 -0.783 0.000 0.849 899 K CB 1.222 32.682 32.500 -1.733 0.000 1.098 899 K HN 0.941 nan 8.250 nan 0.000 0.445 900 L N 4.762 125.937 121.223 -0.080 0.000 2.280 900 L HA 0.319 4.659 4.340 0.001 0.000 0.287 900 L C 0.597 177.483 176.870 0.026 0.000 1.023 900 L CA -0.625 54.249 54.840 0.056 0.000 0.819 900 L CB 1.507 43.678 42.059 0.186 0.000 1.212 900 L HN 0.851 nan 8.230 nan 0.000 0.420 901 T N -1.798 112.759 114.554 0.005 0.000 2.876 901 T HA 0.221 4.571 4.350 0.001 0.000 0.277 901 T C 1.076 175.786 174.700 0.018 0.000 0.997 901 T CA -0.017 62.097 62.100 0.024 0.000 0.966 901 T CB 1.417 70.273 68.868 -0.021 0.000 1.312 901 T HN 0.508 nan 8.240 nan 0.000 0.598 902 S N -0.614 115.090 115.700 0.007 0.000 2.593 902 S HA 0.190 4.660 4.470 0.001 0.000 0.217 902 S C 0.740 175.330 174.600 -0.017 0.000 0.966 902 S CA -0.606 57.583 58.200 -0.019 0.000 0.914 902 S CB -0.563 62.618 63.200 -0.031 0.000 0.776 902 S HN 0.589 nan 8.310 nan 0.000 0.523 903 S N 1.698 117.391 115.700 -0.012 0.000 2.572 903 S HA 0.536 5.007 4.470 0.001 0.000 0.279 903 S C 1.539 176.126 174.600 -0.021 0.000 1.341 903 S CA -0.028 58.162 58.200 -0.016 0.000 1.043 903 S CB 1.024 64.216 63.200 -0.013 0.000 0.887 903 S HN 0.579 nan 8.310 nan 0.000 0.516 904 A N 3.023 125.824 122.820 -0.032 0.000 1.933 904 A HA -0.165 4.155 4.320 0.001 0.000 0.218 904 A C 1.794 179.336 177.584 -0.071 0.000 1.175 904 A CA 1.727 53.733 52.037 -0.052 0.000 0.628 904 A CB -0.644 18.320 19.000 -0.059 0.000 0.814 904 A HN 0.875 nan 8.150 nan 0.000 0.444 905 N N -0.320 118.350 118.700 -0.051 0.000 2.449 905 N HA 0.023 4.763 4.740 0.001 0.000 0.191 905 N C 0.199 175.729 175.510 0.033 0.000 1.161 905 N CA 0.844 53.871 53.050 -0.039 0.000 0.863 905 N CB -0.449 38.038 38.487 0.001 0.000 0.980 905 N HN 0.145 nan 8.380 nan 0.000 0.458 906 S N 0.365 116.077 115.700 0.019 0.000 3.729 906 S HA 0.254 4.724 4.470 0.001 0.000 0.235 906 S C -0.517 174.126 174.600 0.072 0.000 1.367 906 S CA -0.769 57.457 58.200 0.044 0.000 0.907 906 S CB -0.569 62.643 63.200 0.019 0.000 1.471 906 S HN 0.542 nan 8.310 nan 0.000 0.476 907 K N 2.061 122.539 120.400 0.129 0.000 2.579 907 K HA 0.601 4.922 4.320 0.001 0.000 0.284 907 K C -1.619 175.135 176.600 0.256 0.000 0.990 907 K CA -1.026 55.362 56.287 0.168 0.000 0.880 907 K CB 1.003 33.562 32.500 0.098 0.000 1.488 907 K HN 0.284 nan 8.250 nan 0.000 0.425 908 I N 0.958 121.646 120.570 0.197 0.000 2.498 908 I HA 0.432 4.603 4.170 0.001 0.000 0.290 908 I C -0.750 175.499 176.117 0.220 0.000 1.032 908 I CA -0.879 60.468 61.300 0.077 0.000 1.073 908 I CB 2.219 40.051 38.000 -0.280 0.000 1.251 908 I HN 0.560 nan 8.210 nan 0.000 0.426 909 R N 5.612 126.216 120.500 0.173 0.000 2.343 909 R HA 0.727 5.067 4.340 0.001 0.000 0.320 909 R C -1.832 174.529 176.300 0.102 0.000 0.956 909 R CA -0.466 55.740 56.100 0.177 0.000 0.836 909 R CB 1.741 32.179 30.300 0.232 0.000 1.151 909 R HN 0.476 nan 8.270 nan 0.000 0.450 910 V N 3.848 123.845 119.914 0.139 0.000 2.409 910 V HA 0.298 4.418 4.120 0.001 0.000 0.291 910 V C -0.330 175.827 176.094 0.105 0.000 1.020 910 V CA -0.636 61.740 62.300 0.127 0.000 0.848 910 V CB 2.012 33.968 31.823 0.222 0.000 0.990 910 V HN 0.793 nan 8.190 nan 0.000 0.430 911 T N 5.600 120.200 114.554 0.076 0.000 2.832 911 T HA 0.333 4.683 4.350 0.001 0.000 0.313 911 T C 0.079 174.826 174.700 0.078 0.000 1.035 911 T CA -0.344 61.795 62.100 0.065 0.000 0.950 911 T CB 0.405 69.299 68.868 0.042 0.000 0.984 911 T HN 0.675 nan 8.240 nan 0.000 0.486 912 Q N 2.242 122.101 119.800 0.100 0.000 2.492 912 Q HA 0.128 4.468 4.340 0.001 0.000 0.238 912 Q C 0.586 176.633 176.000 0.077 0.000 1.045 912 Q CA -0.526 55.342 55.803 0.108 0.000 0.934 912 Q CB 0.533 29.363 28.738 0.154 0.000 1.276 912 Q HN 0.445 nan 8.270 nan 0.000 0.521 913 N N 1.573 120.310 118.700 0.062 0.000 2.399 913 N HA -0.063 4.677 4.740 0.001 0.000 0.259 913 N C 0.323 175.857 175.510 0.040 0.000 1.160 913 N CA 0.182 53.258 53.050 0.044 0.000 0.946 913 N CB 0.787 39.298 38.487 0.040 0.000 1.156 913 N HN 0.470 nan 8.380 nan 0.000 0.489 914 Q N 1.861 121.690 119.800 0.048 0.000 2.437 914 Q HA -0.008 4.332 4.340 0.001 0.000 0.210 914 Q C -0.112 175.922 176.000 0.058 0.000 0.972 914 Q CA 0.829 56.666 55.803 0.056 0.000 0.903 914 Q CB 0.049 28.813 28.738 0.044 0.000 0.967 914 Q HN 0.563 nan 8.270 nan 0.000 0.486 915 N N 0.463 119.187 118.700 0.041 0.000 2.378 915 N HA 0.198 4.938 4.740 0.001 0.000 0.243 915 N C -0.265 175.267 175.510 0.036 0.000 1.137 915 N CA 0.117 53.197 53.050 0.049 0.000 0.862 915 N CB 0.693 39.199 38.487 0.031 0.000 1.116 915 N HN 0.222 nan 8.380 nan 0.000 0.499 916 I N 0.916 121.492 120.570 0.010 0.000 2.404 916 I HA 0.311 4.482 4.170 0.001 0.000 0.293 916 I C 0.616 176.772 176.117 0.065 0.000 0.992 916 I CA -0.781 60.481 61.300 -0.062 0.000 1.149 916 I CB 2.140 39.968 38.000 -0.286 0.000 1.315 916 I HN -0.153 nan 8.210 nan 0.000 0.446 917 I N 6.668 127.295 120.570 0.095 0.000 2.668 917 I HA -0.082 4.088 4.170 0.001 0.000 0.309 917 I C 0.921 177.148 176.117 0.183 0.000 1.195 917 I CA 0.831 62.226 61.300 0.159 0.000 1.919 917 I CB -0.430 37.681 38.000 0.185 0.000 1.551 917 I HN 0.709 nan 8.210 nan 0.000 0.908 918 F N 4.870 124.805 119.950 -0.024 0.000 2.437 918 F HA 0.032 4.561 4.527 0.003 0.000 0.288 918 F C 1.447 177.201 175.800 -0.077 0.000 1.085 918 F CA -0.308 57.652 58.000 -0.066 0.000 1.430 918 F CB 0.468 39.412 39.000 -0.093 0.000 1.120 918 F HN 0.449 nan 8.300 nan 0.000 0.556 919 N N 1.846 120.570 118.700 0.041 0.000 3.050 919 N HA -0.050 4.690 4.740 0.001 0.000 0.289 919 N C 0.299 175.822 175.510 0.022 0.000 1.209 919 N CA 0.498 53.502 53.050 -0.076 0.000 1.154 919 N CB 0.294 38.737 38.487 -0.073 0.000 1.444 919 N HN 0.160 nan 8.380 nan 0.000 0.529 920 S N -0.735 114.985 115.700 0.033 0.000 2.851 920 S HA 0.035 4.506 4.470 0.001 0.000 0.227 920 S C 1.158 175.882 174.600 0.206 0.000 0.958 920 S CA -0.170 58.106 58.200 0.127 0.000 0.990 920 S CB -0.599 62.688 63.200 0.144 0.000 0.790 920 S HN 0.324 nan 8.310 nan 0.000 0.509 921 V N -1.001 118.977 119.914 0.108 0.000 0.742 921 V HA -0.337 3.783 4.120 0.001 0.000 0.052 921 V C 0.840 177.063 176.094 0.215 0.000 2.606 921 V CA 2.242 64.626 62.300 0.140 0.000 3.582 921 V CB -2.602 29.314 31.823 0.156 0.000 1.239 921 V HN 0.911 nan 8.190 nan 0.000 1.110 922 F N -0.936 119.043 119.950 0.049 0.000 2.735 922 F HA 0.809 5.336 4.527 0.001 0.000 0.308 922 F C -0.006 175.848 175.800 0.090 0.000 1.112 922 F CA -0.775 57.261 58.000 0.059 0.000 1.235 922 F CB 0.628 39.660 39.000 0.054 0.000 1.027 922 F HN 0.233 nan 8.300 nan 0.000 0.528 923 L N 2.457 123.505 121.223 -0.291 0.000 3.052 923 L HA -0.155 4.185 4.340 0.001 0.000 0.652 923 L C -1.446 175.214 176.870 -0.350 0.000 1.019 923 L CA 0.425 55.157 54.840 -0.180 0.000 1.317 923 L CB -0.979 41.103 42.059 0.039 0.000 1.728 923 L HN 0.678 nan 8.230 nan 0.000 0.839 924 D N 5.406 125.633 120.400 -0.289 0.000 2.330 924 D HA 0.625 5.265 4.640 0.001 0.000 0.249 924 D C -0.774 175.673 176.300 0.246 0.000 1.306 924 D CA 0.302 54.169 54.000 -0.222 0.000 0.956 924 D CB 0.322 40.715 40.800 -0.679 0.000 1.261 924 D HN 0.412 nan 8.370 nan 0.000 0.544 925 F N -0.253 119.691 119.950 -0.009 0.000 2.741 925 F HA 0.750 5.276 4.527 -0.000 0.000 0.311 925 F C -1.554 174.213 175.800 -0.055 0.000 1.149 925 F CA -0.851 57.184 58.000 0.059 0.000 0.930 925 F CB 1.091 40.288 39.000 0.327 0.000 1.312 925 F HN -0.016 nan 8.300 nan 0.000 0.450 926 S N 0.980 116.570 115.700 -0.184 0.000 2.570 926 S HA 0.848 5.318 4.470 0.001 0.000 0.286 926 S C -1.470 172.979 174.600 -0.252 0.000 1.099 926 S CA -0.821 57.132 58.200 -0.412 0.000 0.913 926 S CB 2.214 65.183 63.200 -0.385 0.000 1.085 926 S HN 0.646 nan 8.310 nan 0.000 0.480 927 V N 2.323 121.979 119.914 -0.431 0.000 2.638 927 V HA 0.791 4.911 4.120 0.001 0.000 0.306 927 V C -0.490 175.404 176.094 -0.333 0.000 1.052 927 V CA -0.593 61.513 62.300 -0.322 0.000 0.885 927 V CB 1.739 33.338 31.823 -0.373 0.000 0.999 927 V HN 1.009 nan 8.190 nan 0.000 0.424 928 S N 4.330 119.898 115.700 -0.220 0.000 2.569 928 S HA 1.016 5.486 4.470 0.001 0.000 0.280 928 S C -1.013 173.596 174.600 0.016 0.000 1.111 928 S CA -0.667 57.349 58.200 -0.307 0.000 0.887 928 S CB 2.602 65.739 63.200 -0.106 0.000 1.095 928 S HN 1.480 nan 8.310 nan 0.000 0.476 929 F N -2.841 117.112 119.950 0.005 0.000 2.829 929 F HA 0.714 5.240 4.527 -0.001 0.000 0.319 929 F C -2.545 173.457 175.800 0.337 0.000 1.153 929 F CA -1.766 56.466 58.000 0.387 0.000 0.912 929 F CB -0.014 39.297 39.000 0.519 0.000 1.292 929 F HN 0.656 nan 8.300 nan 0.000 0.447 930 W N 2.707 124.436 121.300 0.715 0.000 2.512 930 W HA 0.817 5.478 4.660 0.000 0.000 0.335 930 W C -0.709 176.269 176.519 0.765 0.000 1.088 930 W CA -0.860 56.861 57.345 0.628 0.000 1.236 930 W CB 1.746 31.471 29.460 0.441 0.000 1.307 930 W HN 0.719 nan 8.180 nan 0.000 0.567 931 I N 2.015 122.991 120.570 0.677 0.000 2.802 931 I HA 0.465 4.635 4.170 0.001 0.000 0.298 931 I C -1.114 174.926 176.117 -0.128 0.000 1.176 931 I CA -1.356 60.133 61.300 0.315 0.000 1.025 931 I CB 1.946 40.091 38.000 0.241 0.000 1.243 931 I HN 0.437 nan 8.210 nan 0.000 0.424 932 R N 7.462 127.746 120.500 -0.361 0.000 2.422 932 R HA 0.585 4.926 4.340 0.001 0.000 0.307 932 R C -1.673 174.580 176.300 -0.079 0.000 1.004 932 R CA -0.459 55.388 56.100 -0.423 0.000 0.882 932 R CB 1.026 30.665 30.300 -1.101 0.000 1.164 932 R HN 0.543 nan 8.270 nan 0.000 0.489 933 I N 7.129 127.744 120.570 0.074 0.000 2.304 933 I HA 0.329 4.499 4.170 0.001 0.000 0.291 933 I C -1.733 174.438 176.117 0.089 0.000 1.018 933 I CA -2.326 59.063 61.300 0.149 0.000 1.260 933 I CB 1.423 39.633 38.000 0.350 0.000 1.390 933 I HN 0.402 nan 8.210 nan 0.000 0.475 934 P HA -0.037 nan 4.420 nan 0.000 0.269 934 P C -0.624 176.606 177.300 -0.117 0.000 1.217 934 P CA -0.307 62.674 63.100 -0.198 0.000 0.783 934 P CB 0.871 32.196 31.700 -0.626 0.000 0.898 935 K N 1.912 122.160 120.400 -0.254 0.000 2.258 935 K HA 0.058 4.379 4.320 0.001 0.000 0.264 935 K C 0.052 176.251 176.600 -0.670 0.000 1.007 935 K CA -0.432 55.514 56.287 -0.568 0.000 0.941 935 K CB 0.008 31.879 32.500 -1.049 0.000 0.966 935 K HN 0.380 nan 8.250 nan 0.000 0.480 936 Y N 0.963 120.904 120.300 -0.599 0.000 2.550 936 Y HA 0.168 4.718 4.550 0.001 0.000 0.343 936 Y C -0.141 175.480 175.900 -0.466 0.000 1.245 936 Y CA -0.781 56.861 58.100 -0.764 0.000 1.462 936 Y CB 0.222 37.806 38.460 -1.460 0.000 1.340 936 Y HN 0.195 nan 8.280 nan 0.000 0.604 937 K N 2.882 123.212 120.400 -0.116 0.000 2.297 937 K HA 0.099 4.419 4.320 0.001 0.000 0.286 937 K C 0.365 177.001 176.600 0.060 0.000 1.053 937 K CA -0.288 55.958 56.287 -0.068 0.000 0.940 937 K CB 0.809 33.291 32.500 -0.030 0.000 1.019 937 K HN 0.772 nan 8.250 nan 0.000 0.475 938 N N 2.040 120.795 118.700 0.091 0.000 2.104 938 N HA -0.193 4.547 4.740 0.001 0.000 0.190 938 N C 0.679 176.260 175.510 0.119 0.000 1.024 938 N CA 1.509 54.664 53.050 0.175 0.000 0.853 938 N CB -0.059 38.589 38.487 0.269 0.000 1.008 938 N HN 0.617 nan 8.380 nan 0.000 0.424 939 D N -1.230 119.221 120.400 0.085 0.000 2.324 939 D HA 0.086 4.726 4.640 0.001 0.000 0.235 939 D C 0.872 177.198 176.300 0.043 0.000 1.095 939 D CA 0.146 54.185 54.000 0.065 0.000 0.871 939 D CB -0.563 40.268 40.800 0.052 0.000 0.906 939 D HN 0.213 nan 8.370 nan 0.000 0.522 940 G N -0.103 108.720 108.800 0.038 0.000 4.658 940 G HA2 0.106 4.066 3.960 0.001 0.000 0.279 940 G HA3 0.106 4.066 3.960 0.001 0.000 0.279 940 G C 0.669 175.586 174.900 0.028 0.000 0.997 940 G CA -0.333 44.785 45.100 0.031 0.000 0.765 940 G HN 0.183 nan 8.290 nan 0.000 0.442 941 I N 0.056 120.618 120.570 -0.014 0.000 2.493 941 I HA -0.079 4.092 4.170 0.001 0.000 0.254 941 I C 2.363 178.421 176.117 -0.098 0.000 1.160 941 I CA 1.382 62.626 61.300 -0.092 0.000 1.445 941 I CB 0.214 38.095 38.000 -0.200 0.000 1.086 941 I HN 0.091 nan 8.210 nan 0.000 0.433 942 Q N 0.676 120.426 119.800 -0.085 0.000 2.050 942 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 942 Q C 2.034 178.002 176.000 -0.054 0.000 0.980 942 Q CA 1.812 57.542 55.803 -0.120 0.000 0.840 942 Q CB -0.674 28.027 28.738 -0.062 0.000 0.898 942 Q HN 0.651 nan 8.270 nan 0.000 0.424 943 N N -0.232 118.474 118.700 0.010 0.000 2.142 943 N HA -0.176 4.564 4.740 0.001 0.000 0.186 943 N C 1.865 177.427 175.510 0.086 0.000 1.023 943 N CA 1.003 54.085 53.050 0.053 0.000 0.852 943 N CB -0.425 38.090 38.487 0.047 0.000 0.998 943 N HN 0.288 nan 8.380 nan 0.000 0.424 944 Y N 2.885 123.163 120.300 -0.037 0.000 2.128 944 Y HA -0.212 4.338 4.550 0.000 0.000 0.284 944 Y C 2.278 178.147 175.900 -0.052 0.000 1.154 944 Y CA 1.670 59.761 58.100 -0.015 0.000 1.149 944 Y CB -0.282 38.177 38.460 -0.001 0.000 0.976 944 Y HN 0.035 nan 8.280 nan 0.000 0.505 945 I N -2.401 118.125 120.570 -0.073 0.000 2.761 945 I HA -0.091 4.079 4.170 0.001 0.000 0.261 945 I C 2.266 178.277 176.117 -0.176 0.000 1.198 945 I CA 1.815 62.976 61.300 -0.231 0.000 1.482 945 I CB -0.967 36.828 38.000 -0.343 0.000 1.100 945 I HN 0.308 nan 8.210 nan 0.000 0.445 946 H N 0.984 119.948 119.070 -0.177 0.000 2.476 946 H HA 0.246 4.803 4.556 0.001 0.000 0.292 946 H C 0.033 175.303 175.328 -0.096 0.000 1.019 946 H CA 0.087 56.057 56.048 -0.130 0.000 1.330 946 H CB 0.361 30.063 29.762 -0.100 0.000 1.451 946 H HN 0.279 nan 8.280 nan 0.000 0.535 947 N N 2.705 121.389 118.700 -0.026 0.000 2.420 947 N HA -0.004 4.736 4.740 0.001 0.000 0.262 947 N C -0.352 175.151 175.510 -0.013 0.000 1.144 947 N CA 0.192 53.234 53.050 -0.014 0.000 0.952 947 N CB 1.320 39.850 38.487 0.073 0.000 1.081 947 N HN 0.512 nan 8.380 nan 0.000 0.480 948 E N 2.735 122.890 120.200 -0.076 0.000 2.216 948 E HA 0.243 4.593 4.350 0.001 0.000 0.279 948 E C -1.256 175.365 176.600 0.035 0.000 0.997 948 E CA -0.706 55.635 56.400 -0.098 0.000 0.817 948 E CB 0.624 30.220 29.700 -0.174 0.000 1.096 948 E HN 0.521 nan 8.360 nan 0.000 0.393 949 Y N 0.155 120.408 120.300 -0.078 0.000 2.421 949 Y HA 0.413 4.963 4.550 0.000 0.000 0.339 949 Y C -0.560 175.321 175.900 -0.031 0.000 0.996 949 Y CA -1.197 56.873 58.100 -0.050 0.000 1.046 949 Y CB 0.987 39.425 38.460 -0.037 0.000 1.226 949 Y HN 0.161 nan 8.280 nan 0.000 0.445 950 T N 4.706 119.277 114.554 0.029 0.000 2.918 950 T HA 0.249 4.599 4.350 0.001 0.000 0.302 950 T C 1.241 175.975 174.700 0.057 0.000 1.045 950 T CA 0.265 62.352 62.100 -0.022 0.000 1.114 950 T CB 0.601 69.448 68.868 -0.035 0.000 0.965 950 T HN 0.835 nan 8.240 nan 0.000 0.540 951 I N -1.097 119.483 120.570 0.017 0.000 4.433 951 I HA 0.498 4.668 4.170 0.001 0.000 0.322 951 I C -0.120 175.980 176.117 -0.029 0.000 1.284 951 I CA -0.001 61.342 61.300 0.073 0.000 1.269 951 I CB 0.589 38.654 38.000 0.107 0.000 1.219 951 I HN 0.344 nan 8.210 nan 0.000 0.436 952 I N 2.391 122.894 120.570 -0.111 0.000 2.512 952 I HA 0.355 4.525 4.170 0.001 0.000 0.287 952 I C -1.341 174.618 176.117 -0.263 0.000 1.069 952 I CA -0.359 60.745 61.300 -0.327 0.000 1.056 952 I CB 2.025 39.784 38.000 -0.403 0.000 1.229 952 I HN 0.179 nan 8.210 nan 0.000 0.429 953 N N 5.379 123.855 118.700 -0.374 0.000 2.296 953 N HA 0.439 5.180 4.740 0.001 0.000 0.294 953 N C -1.754 173.404 175.510 -0.586 0.000 1.033 953 N CA -0.333 52.474 53.050 -0.405 0.000 0.839 953 N CB 2.547 40.880 38.487 -0.255 0.000 1.395 953 N HN 0.637 nan 8.380 nan 0.000 0.479 954 C N 6.827 125.602 119.300 -0.875 0.000 2.653 954 C HA 0.560 5.020 4.460 0.001 0.000 0.291 954 C C -1.098 173.506 174.990 -0.643 0.000 1.064 954 C CA -0.491 57.974 59.018 -0.921 0.000 1.469 954 C CB -0.869 25.810 27.740 -1.768 0.000 1.861 954 C HN 0.633 nan 8.230 nan 0.000 0.434 955 M N 4.114 123.494 119.600 -0.367 0.000 2.464 955 M HA 0.567 5.047 4.480 0.001 0.000 0.308 955 M C -0.786 175.417 176.300 -0.162 0.000 1.127 955 M CA -0.323 54.830 55.300 -0.245 0.000 0.913 955 M CB 1.989 34.470 32.600 -0.199 0.000 1.689 955 M HN 0.631 nan 8.290 nan 0.000 0.445 956 K N 2.325 122.648 120.400 -0.127 0.000 2.589 956 K HA 0.339 4.659 4.320 0.001 0.000 0.253 956 K C -0.748 175.807 176.600 -0.075 0.000 0.974 956 K CA -0.224 56.011 56.287 -0.088 0.000 0.835 956 K CB 0.934 33.389 32.500 -0.074 0.000 1.272 956 K HN 0.750 nan 8.250 nan 0.000 0.444 957 N N 3.965 122.628 118.700 -0.062 0.000 2.754 957 N HA -0.202 4.538 4.740 0.001 0.000 0.248 957 N C -0.917 174.560 175.510 -0.056 0.000 1.093 957 N CA 1.185 54.204 53.050 -0.052 0.000 0.699 957 N CB -1.147 37.312 38.487 -0.046 0.000 1.016 957 N HN 0.987 nan 8.380 nan 0.000 0.552 958 N N -2.044 116.617 118.700 -0.065 0.000 2.713 958 N HA -0.199 4.541 4.740 0.001 0.000 0.251 958 N C -0.341 175.127 175.510 -0.070 0.000 1.117 958 N CA 1.583 54.593 53.050 -0.066 0.000 0.770 958 N CB -0.917 37.539 38.487 -0.052 0.000 1.137 958 N HN 0.607 nan 8.380 nan 0.000 0.566 959 S N -1.372 114.281 115.700 -0.078 0.000 2.566 959 S HA 0.853 5.323 4.470 0.001 0.000 0.298 959 S C 0.379 174.917 174.600 -0.103 0.000 1.083 959 S CA 0.491 58.646 58.200 -0.075 0.000 0.978 959 S CB 2.284 65.448 63.200 -0.061 0.000 1.073 959 S HN 0.794 nan 8.310 nan 0.000 0.491 960 G N 2.100 110.851 108.800 -0.082 0.000 2.291 960 G HA2 0.172 4.132 3.960 0.001 0.000 0.249 960 G HA3 0.172 4.132 3.960 0.001 0.000 0.249 960 G C -1.650 173.234 174.900 -0.026 0.000 1.340 960 G CA -0.150 44.891 45.100 -0.100 0.000 1.017 960 G HN 1.108 nan 8.290 nan 0.000 0.470 961 W N 0.296 121.507 121.300 -0.148 0.000 3.032 961 W HA 0.848 5.507 4.660 -0.001 0.000 0.341 961 W C -0.769 175.580 176.519 -0.284 0.000 1.202 961 W CA -0.780 56.367 57.345 -0.331 0.000 1.132 961 W CB 1.464 30.671 29.460 -0.422 0.000 1.465 961 W HN 1.135 nan 8.180 nan 0.000 0.576 962 K N 0.337 120.680 120.400 -0.094 0.000 2.587 962 K HA 0.689 5.009 4.320 0.001 0.000 0.276 962 K C -2.013 174.663 176.600 0.125 0.000 0.956 962 K CA -0.895 55.378 56.287 -0.024 0.000 0.857 962 K CB 2.181 34.594 32.500 -0.145 0.000 1.431 962 K HN 0.526 nan 8.250 nan 0.000 0.420 963 I N 2.203 122.920 120.570 0.245 0.000 2.339 963 I HA 0.276 4.447 4.170 0.001 0.000 0.290 963 I C -0.603 175.579 176.117 0.108 0.000 0.994 963 I CA -0.522 60.964 61.300 0.310 0.000 1.191 963 I CB 1.942 40.191 38.000 0.416 0.000 1.343 963 I HN 0.643 nan 8.210 nan 0.000 0.458 964 S N 6.410 122.148 115.700 0.063 0.000 2.677 964 S HA 0.734 5.205 4.470 0.001 0.000 0.304 964 S C -0.508 173.995 174.600 -0.163 0.000 1.108 964 S CA -0.627 57.516 58.200 -0.095 0.000 0.944 964 S CB 2.238 65.372 63.200 -0.111 0.000 1.127 964 S HN 0.362 nan 8.310 nan 0.000 0.511 965 I N 1.405 121.704 120.570 -0.452 0.000 2.607 965 I HA 0.475 4.645 4.170 0.001 0.000 0.290 965 I C -0.577 175.168 176.117 -0.619 0.000 1.129 965 I CA -0.388 60.600 61.300 -0.519 0.000 1.042 965 I CB 2.184 39.801 38.000 -0.640 0.000 1.242 965 I HN 0.382 nan 8.210 nan 0.000 0.421 966 R N 4.447 124.715 120.500 -0.388 0.000 2.545 966 R HA 0.529 4.869 4.340 0.001 0.000 0.289 966 R C 0.421 176.454 176.300 -0.446 0.000 1.327 966 R CA 0.401 56.294 56.100 -0.345 0.000 1.040 966 R CB 1.233 31.342 30.300 -0.318 0.000 1.176 966 R HN 0.948 nan 8.270 nan 0.000 0.518 967 G N 3.806 112.239 108.800 -0.613 0.000 2.602 967 G HA2 -0.449 3.512 3.960 0.001 0.000 0.310 967 G HA3 -0.449 3.512 3.960 0.001 0.000 0.310 967 G C 0.267 174.685 174.900 -0.802 0.000 1.183 967 G CA 0.529 44.760 45.100 -1.448 0.000 0.979 967 G HN 0.733 nan 8.290 nan 0.000 0.545 968 N N 1.364 119.732 118.700 -0.554 0.000 2.322 968 N HA 0.103 4.844 4.740 0.001 0.000 0.216 968 N C 0.646 175.632 175.510 -0.873 0.000 1.144 968 N CA 0.634 53.279 53.050 -0.676 0.000 0.830 968 N CB 0.420 38.614 38.487 -0.488 0.000 1.034 968 N HN 0.832 nan 8.380 nan 0.000 0.484 969 R N 0.488 120.706 120.500 -0.470 0.000 2.561 969 R HA 0.492 4.833 4.340 0.001 0.000 0.297 969 R C -1.384 174.864 176.300 -0.086 0.000 0.969 969 R CA -0.698 55.223 56.100 -0.299 0.000 0.879 969 R CB 1.480 31.578 30.300 -0.336 0.000 1.178 969 R HN 0.173 nan 8.270 nan 0.000 0.445 970 I N 5.857 126.502 120.570 0.125 0.000 2.377 970 I HA 0.420 4.591 4.170 0.001 0.000 0.293 970 I C -1.173 175.108 176.117 0.272 0.000 0.987 970 I CA -0.821 60.619 61.300 0.233 0.000 1.185 970 I CB 1.085 39.341 38.000 0.428 0.000 1.341 970 I HN 0.628 nan 8.210 nan 0.000 0.455 971 I N 7.658 128.356 120.570 0.212 0.000 2.509 971 I HA 0.309 4.479 4.170 0.001 0.000 0.293 971 I C -1.115 175.201 176.117 0.332 0.000 1.020 971 I CA -0.497 60.958 61.300 0.258 0.000 1.088 971 I CB 1.793 39.852 38.000 0.099 0.000 1.267 971 I HN 0.608 nan 8.210 nan 0.000 0.430 972 W N 6.543 127.943 121.300 0.166 0.000 2.475 972 W HA 0.555 5.215 4.660 -0.000 0.000 0.317 972 W C -1.511 175.096 176.519 0.147 0.000 1.046 972 W CA -0.383 57.060 57.345 0.163 0.000 1.215 972 W CB 1.903 31.434 29.460 0.119 0.000 1.335 972 W HN 0.404 nan 8.180 nan 0.000 0.471 973 T N 6.933 121.217 114.554 -0.450 0.000 2.861 973 T HA 0.531 4.882 4.350 0.001 0.000 0.287 973 T C -0.302 174.105 174.700 -0.489 0.000 1.003 973 T CA -0.515 61.372 62.100 -0.355 0.000 0.977 973 T CB 1.818 70.590 68.868 -0.161 0.000 0.996 973 T HN 0.303 nan 8.240 nan 0.000 0.448 974 L N 3.241 124.304 121.223 -0.267 0.000 2.330 974 L HA 0.711 5.051 4.340 0.001 0.000 0.271 974 L C -0.725 176.111 176.870 -0.055 0.000 1.013 974 L CA -1.103 53.665 54.840 -0.120 0.000 0.816 974 L CB 1.711 43.781 42.059 0.018 0.000 1.287 974 L HN 0.553 nan 8.230 nan 0.000 0.435 975 I N 1.384 121.938 120.570 -0.028 0.000 2.563 975 I HA 0.138 4.309 4.170 0.001 0.000 0.281 975 I C -1.049 175.058 176.117 -0.018 0.000 1.110 975 I CA -0.787 60.495 61.300 -0.031 0.000 1.073 975 I CB 1.752 39.718 38.000 -0.058 0.000 1.215 975 I HN 0.572 nan 8.210 nan 0.000 0.460 976 D N 5.755 126.152 120.400 -0.006 0.000 2.360 976 D HA 0.081 4.722 4.640 0.001 0.000 0.242 976 D C 1.565 177.854 176.300 -0.018 0.000 1.184 976 D CA -0.527 53.469 54.000 -0.006 0.000 0.930 976 D CB 0.943 41.746 40.800 0.006 0.000 1.161 976 D HN 0.621 nan 8.370 nan 0.000 0.447 977 I N -2.535 118.022 120.570 -0.021 0.000 2.479 977 I HA -0.284 3.887 4.170 0.001 0.000 0.258 977 I C 0.528 176.633 176.117 -0.021 0.000 1.165 977 I CA 1.252 62.537 61.300 -0.025 0.000 1.422 977 I CB -0.633 37.353 38.000 -0.024 0.000 1.087 977 I HN 0.191 nan 8.210 nan 0.000 0.441 978 N N 1.410 120.102 118.700 -0.015 0.000 2.268 978 N HA 0.134 4.875 4.740 0.001 0.000 0.204 978 N C 1.445 176.946 175.510 -0.014 0.000 1.124 978 N CA 0.905 53.947 53.050 -0.012 0.000 0.838 978 N CB 0.964 39.448 38.487 -0.005 0.000 0.994 978 N HN 0.674 nan 8.380 nan 0.000 0.489 979 G N 1.330 110.118 108.800 -0.019 0.000 2.184 979 G HA2 -0.327 3.633 3.960 0.001 0.000 0.264 979 G HA3 -0.327 3.633 3.960 0.001 0.000 0.264 979 G C 0.221 175.110 174.900 -0.018 0.000 0.975 979 G CA 0.150 45.236 45.100 -0.023 0.000 0.642 979 G HN 0.391 nan 8.290 nan 0.000 0.536 980 K N 1.297 121.690 120.400 -0.011 0.000 2.383 980 K HA 0.437 4.757 4.320 0.001 0.000 0.286 980 K C -0.158 176.438 176.600 -0.006 0.000 1.051 980 K CA 0.319 56.603 56.287 -0.004 0.000 0.974 980 K CB 0.214 32.716 32.500 0.004 0.000 0.968 980 K HN 0.095 nan 8.250 nan 0.000 0.475 981 T N 4.503 119.052 114.554 -0.008 0.000 2.855 981 T HA 0.410 4.760 4.350 0.001 0.000 0.281 981 T C -0.936 173.765 174.700 0.003 0.000 1.007 981 T CA -0.790 61.302 62.100 -0.013 0.000 1.009 981 T CB 1.104 69.956 68.868 -0.027 0.000 0.983 981 T HN 0.380 nan 8.240 nan 0.000 0.455 982 K N 1.636 122.040 120.400 0.006 0.000 2.469 982 K HA 0.741 5.061 4.320 0.001 0.000 0.254 982 K C -1.116 175.506 176.600 0.038 0.000 0.939 982 K CA -0.740 55.567 56.287 0.034 0.000 0.812 982 K CB 2.446 34.980 32.500 0.056 0.000 1.301 982 K HN 0.576 nan 8.250 nan 0.000 0.433 983 S N 0.184 115.932 115.700 0.080 0.000 2.564 983 S HA 0.589 5.060 4.470 0.001 0.000 0.274 983 S C -1.442 173.277 174.600 0.199 0.000 1.124 983 S CA -0.739 57.538 58.200 0.128 0.000 0.869 983 S CB 2.539 65.805 63.200 0.110 0.000 1.105 983 S HN 0.330 nan 8.310 nan 0.000 0.472 984 V N 3.559 123.635 119.914 0.270 0.000 3.007 984 V HA 0.969 5.090 4.120 0.001 0.000 0.311 984 V C -1.984 174.277 176.094 0.279 0.000 1.120 984 V CA -0.788 61.624 62.300 0.186 0.000 0.980 984 V CB 1.668 33.572 31.823 0.136 0.000 1.033 984 V HN 0.894 nan 8.190 nan 0.000 0.429 985 F N 4.164 124.172 119.950 0.098 0.000 2.686 985 F HA 0.804 5.332 4.527 0.000 0.000 0.311 985 F C -2.013 173.863 175.800 0.127 0.000 1.128 985 F CA -1.470 56.595 58.000 0.108 0.000 0.946 985 F CB 1.551 40.577 39.000 0.044 0.000 1.336 985 F HN 0.536 nan 8.300 nan 0.000 0.457 986 F N 1.892 121.958 119.950 0.194 0.000 2.507 986 F HA 0.638 5.166 4.527 0.001 0.000 0.325 986 F C -1.058 174.845 175.800 0.171 0.000 1.116 986 F CA -0.622 57.414 58.000 0.059 0.000 0.930 986 F CB 1.769 40.760 39.000 -0.015 0.000 1.146 986 F HN 0.806 nan 8.300 nan 0.000 0.447 987 E N 5.792 125.579 120.200 -0.687 0.000 2.210 987 E HA 0.345 4.695 4.350 0.001 0.000 0.266 987 E C -1.777 174.209 176.600 -1.023 0.000 0.883 987 E CA -0.848 55.137 56.400 -0.693 0.000 0.761 987 E CB 1.466 31.032 29.700 -0.223 0.000 1.156 987 E HN 0.615 nan 8.360 nan 0.000 0.412 988 Y N 1.604 121.474 120.300 -0.716 0.000 2.420 988 Y HA 0.474 5.024 4.550 0.001 0.000 0.334 988 Y C -0.069 175.794 175.900 -0.060 0.000 1.094 988 Y CA -1.453 56.393 58.100 -0.424 0.000 1.126 988 Y CB 0.431 38.736 38.460 -0.258 0.000 1.217 988 Y HN 0.372 nan 8.280 nan 0.000 0.462 989 N N 2.290 121.121 118.700 0.218 0.000 2.492 989 N HA 0.161 4.902 4.740 0.001 0.000 0.262 989 N C 0.087 175.790 175.510 0.321 0.000 1.202 989 N CA -0.090 53.082 53.050 0.203 0.000 0.926 989 N CB 0.371 38.971 38.487 0.188 0.000 1.078 989 N HN 0.807 nan 8.380 nan 0.000 0.454 990 I N -0.283 120.439 120.570 0.255 0.000 3.654 990 I HA 0.388 4.559 4.170 0.001 0.000 0.337 990 I C 0.096 176.358 176.117 0.241 0.000 1.568 990 I CA -0.304 61.193 61.300 0.327 0.000 1.115 990 I CB 0.249 38.428 38.000 0.297 0.000 1.300 990 I HN 0.389 nan 8.210 nan 0.000 0.471 991 R N 0.565 121.192 120.500 0.212 0.000 2.566 991 R HA 0.287 4.627 4.340 0.001 0.000 0.388 991 R C -0.342 176.072 176.300 0.191 0.000 0.989 991 R CA -0.347 55.853 56.100 0.167 0.000 1.164 991 R CB 0.718 31.081 30.300 0.105 0.000 1.459 991 R HN 0.306 nan 8.270 nan 0.000 0.553 992 E N 1.415 121.757 120.200 0.237 0.000 2.338 992 E HA -0.004 4.346 4.350 0.001 0.000 0.272 992 E C 0.187 176.940 176.600 0.254 0.000 1.029 992 E CA 0.050 56.583 56.400 0.221 0.000 0.872 992 E CB 0.987 30.823 29.700 0.226 0.000 1.015 992 E HN 0.009 nan 8.360 nan 0.000 0.417 993 D N 1.039 121.565 120.400 0.209 0.000 2.123 993 D HA -0.097 4.544 4.640 0.001 0.000 0.196 993 D C 0.460 176.916 176.300 0.261 0.000 0.992 993 D CA 1.333 55.466 54.000 0.222 0.000 0.833 993 D CB 0.312 41.213 40.800 0.168 0.000 0.954 993 D HN 0.282 nan 8.370 nan 0.000 0.455 994 I N 0.099 120.807 120.570 0.231 0.000 2.512 994 I HA 0.137 4.307 4.170 0.001 0.000 0.287 994 I C -0.180 176.046 176.117 0.182 0.000 1.069 994 I CA -0.566 60.861 61.300 0.211 0.000 1.056 994 I CB 1.702 39.854 38.000 0.253 0.000 1.229 994 I HN -0.255 nan 8.210 nan 0.000 0.429 995 S N 4.149 119.963 115.700 0.191 0.000 2.578 995 S HA 0.361 4.832 4.470 0.001 0.000 0.283 995 S C 0.868 175.446 174.600 -0.037 0.000 1.195 995 S CA -0.253 58.037 58.200 0.150 0.000 1.050 995 S CB 1.362 64.734 63.200 0.287 0.000 1.012 995 S HN 0.620 nan 8.310 nan 0.000 0.511 996 E N 2.026 122.084 120.200 -0.236 0.000 2.385 996 E HA 0.028 4.378 4.350 0.001 0.000 0.194 996 E C 0.199 176.406 176.600 -0.656 0.000 1.013 996 E CA 0.646 56.717 56.400 -0.548 0.000 0.866 996 E CB 0.178 29.384 29.700 -0.823 0.000 0.832 996 E HN 0.846 nan 8.360 nan 0.000 0.500 997 Y N -0.376 119.865 120.300 -0.099 0.000 2.581 997 Y HA 0.246 4.797 4.550 0.000 0.000 0.271 997 Y C 0.876 176.711 175.900 -0.109 0.000 1.100 997 Y CA -0.523 57.428 58.100 -0.247 0.000 1.281 997 Y CB 0.588 38.581 38.460 -0.778 0.000 1.237 997 Y HN -0.162 nan 8.280 nan 0.000 0.514 998 I N 2.746 123.389 120.570 0.122 0.000 2.664 998 I HA -0.155 4.015 4.170 0.001 0.000 0.284 998 I C 0.942 177.302 176.117 0.404 0.000 1.154 998 I CA 0.853 62.318 61.300 0.274 0.000 1.402 998 I CB -0.099 38.170 38.000 0.448 0.000 1.395 998 I HN 0.517 nan 8.210 nan 0.000 0.545 999 N N 4.307 123.174 118.700 0.278 0.000 2.753 999 N HA -0.203 4.537 4.740 0.001 0.000 0.251 999 N C -0.309 175.356 175.510 0.259 0.000 1.097 999 N CA 0.517 53.657 53.050 0.149 0.000 0.786 999 N CB -0.165 38.328 38.487 0.009 0.000 1.137 999 N HN 0.610 nan 8.380 nan 0.000 0.566 1000 R N -0.258 120.451 120.500 0.349 0.000 2.599 1000 R HA 0.229 4.569 4.340 0.001 0.000 0.295 1000 R C -0.857 175.736 176.300 0.488 0.000 0.963 1000 R CA -0.587 55.761 56.100 0.413 0.000 0.883 1000 R CB 0.735 31.233 30.300 0.331 0.000 1.171 1000 R HN 0.110 nan 8.270 nan 0.000 0.450 1001 W N 4.265 125.840 121.300 0.458 0.000 2.347 1001 W HA 0.038 4.699 4.660 0.002 0.000 0.333 1001 W C 0.101 177.078 176.519 0.765 0.000 1.383 1001 W CA 0.357 58.004 57.345 0.504 0.000 1.283 1001 W CB 0.193 29.901 29.460 0.413 0.000 1.253 1001 W HN 0.447 nan 8.180 nan 0.000 0.563 1002 F N 2.603 123.070 119.950 0.862 0.000 2.626 1002 F HA 0.612 5.140 4.527 0.002 0.000 0.311 1002 F C -1.678 174.295 175.800 0.287 0.000 1.088 1002 F CA -2.420 55.927 58.000 0.579 0.000 0.949 1002 F CB 0.790 40.059 39.000 0.447 0.000 1.322 1002 F HN 0.092 nan 8.300 nan 0.000 0.461 1003 F N 2.954 122.771 119.950 -0.222 0.000 2.410 1003 F HA 0.729 5.256 4.527 -0.000 0.000 0.349 1003 F C -1.003 174.520 175.800 -0.462 0.000 1.117 1003 F CA -1.265 56.233 58.000 -0.837 0.000 1.104 1003 F CB 1.259 39.537 39.000 -1.202 0.000 1.122 1003 F HN 0.424 nan 8.300 nan 0.000 0.483 1004 V N 4.548 123.777 119.914 -1.141 0.000 2.581 1004 V HA 0.642 4.762 4.120 0.001 0.000 0.303 1004 V C -0.513 174.727 176.094 -1.422 0.000 1.041 1004 V CA -0.609 61.034 62.300 -1.094 0.000 0.907 1004 V CB 2.010 33.197 31.823 -1.060 0.000 0.994 1004 V HN 0.825 nan 8.190 nan 0.000 0.442 1005 T N 5.005 118.995 114.554 -0.940 0.000 3.109 1005 T HA 0.604 4.954 4.350 0.001 0.000 0.311 1005 T C -0.771 173.620 174.700 -0.514 0.000 1.011 1005 T CA -0.173 61.457 62.100 -0.783 0.000 1.026 1005 T CB 1.088 69.493 68.868 -0.772 0.000 1.047 1005 T HN 0.371 nan 8.240 nan 0.000 0.448 1006 I N 3.447 123.661 120.570 -0.594 0.000 2.378 1006 I HA 0.528 4.698 4.170 0.001 0.000 0.291 1006 I C 0.542 176.221 176.117 -0.730 0.000 0.992 1006 I CA -0.493 60.384 61.300 -0.706 0.000 1.154 1006 I CB 1.946 39.242 38.000 -1.173 0.000 1.315 1006 I HN 0.670 nan 8.210 nan 0.000 0.448 1007 T N 2.102 116.333 114.554 -0.538 0.000 2.863 1007 T HA 0.562 4.912 4.350 0.001 0.000 0.285 1007 T C -0.629 173.818 174.700 -0.421 0.000 1.009 1007 T CA -0.964 60.856 62.100 -0.466 0.000 0.989 1007 T CB 1.439 70.151 68.868 -0.260 0.000 1.004 1007 T HN 0.424 nan 8.240 nan 0.000 0.455 1008 N N 2.910 121.350 118.700 -0.432 0.000 2.346 1008 N HA 0.444 5.185 4.740 0.001 0.000 0.289 1008 N C -1.047 174.415 175.510 -0.079 0.000 1.027 1008 N CA -0.627 52.284 53.050 -0.232 0.000 0.864 1008 N CB 2.439 40.764 38.487 -0.270 0.000 1.370 1008 N HN 0.912 nan 8.380 nan 0.000 0.481 1009 N N -0.064 118.643 118.700 0.011 0.000 3.038 1009 N HA 0.294 5.034 4.740 0.001 0.000 0.307 1009 N C 0.894 176.497 175.510 0.155 0.000 1.441 1009 N CA -0.712 52.396 53.050 0.097 0.000 0.772 1009 N CB 0.176 38.748 38.487 0.142 0.000 1.651 1009 N HN 0.130 nan 8.380 nan 0.000 0.593 1010 L N -1.941 119.469 121.223 0.312 0.000 2.127 1010 L HA 0.120 4.460 4.340 0.001 0.000 0.211 1010 L C 1.110 178.074 176.870 0.156 0.000 1.089 1010 L CA 1.495 56.505 54.840 0.283 0.000 0.757 1010 L CB -1.458 40.818 42.059 0.362 0.000 0.899 1010 L HN 0.524 nan 8.230 nan 0.000 0.434 1011 N N -0.570 118.202 118.700 0.121 0.000 2.436 1011 N HA 0.071 4.811 4.740 0.001 0.000 0.178 1011 N C 0.224 175.769 175.510 0.058 0.000 1.026 1011 N CA 0.461 53.556 53.050 0.076 0.000 0.880 1011 N CB 0.064 38.583 38.487 0.054 0.000 1.061 1011 N HN 0.467 nan 8.380 nan 0.000 0.434 1012 N N 0.035 118.765 118.700 0.049 0.000 2.380 1012 N HA 0.509 5.250 4.740 0.001 0.000 0.290 1012 N C -1.232 174.288 175.510 0.018 0.000 1.236 1012 N CA -0.438 52.627 53.050 0.025 0.000 0.780 1012 N CB 2.444 40.927 38.487 -0.008 0.000 1.438 1012 N HN -0.045 nan 8.380 nan 0.000 0.491 1013 A N 1.051 123.879 122.820 0.013 0.000 2.310 1013 A HA 0.474 4.795 4.320 0.001 0.000 0.304 1013 A C -0.424 177.110 177.584 -0.085 0.000 1.231 1013 A CA -0.623 51.415 52.037 0.001 0.000 0.799 1013 A CB 0.533 19.638 19.000 0.175 0.000 1.162 1013 A HN 0.500 nan 8.150 nan 0.000 0.486 1014 K N 1.781 122.080 120.400 -0.168 0.000 2.203 1014 K HA 0.720 5.040 4.320 0.001 0.000 0.251 1014 K C -1.127 175.306 176.600 -0.278 0.000 0.944 1014 K CA -0.443 55.706 56.287 -0.229 0.000 0.829 1014 K CB 2.234 34.602 32.500 -0.220 0.000 1.125 1014 K HN 0.646 nan 8.250 nan 0.000 0.430 1015 I N 2.964 123.331 120.570 -0.338 0.000 2.418 1015 I HA 0.292 4.462 4.170 0.001 0.000 0.287 1015 I C -1.168 174.704 176.117 -0.409 0.000 1.008 1015 I CA -0.894 60.230 61.300 -0.293 0.000 1.104 1015 I CB 0.931 38.819 38.000 -0.187 0.000 1.264 1015 I HN 0.454 nan 8.210 nan 0.000 0.438 1016 Y N 6.108 126.165 120.300 -0.404 0.000 2.409 1016 Y HA 0.567 5.118 4.550 0.002 0.000 0.339 1016 Y C -0.082 175.507 175.900 -0.517 0.000 1.033 1016 Y CA -0.955 56.894 58.100 -0.418 0.000 1.094 1016 Y CB 1.786 40.013 38.460 -0.388 0.000 1.210 1016 Y HN 0.229 nan 8.280 nan 0.000 0.456 1017 I N 3.255 123.594 120.570 -0.385 0.000 2.447 1017 I HA 0.202 4.373 4.170 0.001 0.000 0.287 1017 I C -0.288 175.616 176.117 -0.356 0.000 1.023 1017 I CA -1.091 59.929 61.300 -0.467 0.000 1.083 1017 I CB 1.395 38.861 38.000 -0.890 0.000 1.245 1017 I HN 0.727 nan 8.210 nan 0.000 0.434 1018 N N 5.028 123.523 118.700 -0.341 0.000 2.710 1018 N HA -0.221 4.519 4.740 0.001 0.000 0.249 1018 N C 1.177 176.122 175.510 -0.942 0.000 1.059 1018 N CA 1.365 53.953 53.050 -0.771 0.000 0.720 1018 N CB -0.921 37.274 38.487 -0.487 0.000 0.983 1018 N HN 1.150 nan 8.380 nan 0.000 0.544 1019 G N -1.258 107.271 108.800 -0.452 0.000 2.253 1019 G HA2 -0.381 3.579 3.960 0.001 0.000 0.251 1019 G HA3 -0.381 3.579 3.960 0.001 0.000 0.251 1019 G C 0.084 174.937 174.900 -0.077 0.000 0.998 1019 G CA 0.792 45.753 45.100 -0.231 0.000 0.621 1019 G HN 0.653 nan 8.290 nan 0.000 0.524 1020 K N 0.533 120.854 120.400 -0.132 0.000 2.201 1020 K HA 0.625 4.945 4.320 0.001 0.000 0.278 1020 K C 0.211 176.726 176.600 -0.142 0.000 1.027 1020 K CA -1.010 55.224 56.287 -0.088 0.000 0.909 1020 K CB 0.773 33.196 32.500 -0.128 0.000 1.062 1020 K HN 0.171 nan 8.250 nan 0.000 0.465 1021 L N 4.480 125.574 121.223 -0.214 0.000 2.462 1021 L HA 0.047 4.387 4.340 0.001 0.000 0.272 1021 L C 0.596 177.228 176.870 -0.396 0.000 1.166 1021 L CA 0.892 55.366 54.840 -0.609 0.000 0.880 1021 L CB 0.649 42.330 42.059 -0.630 0.000 1.142 1021 L HN 0.791 nan 8.230 nan 0.000 0.473 1022 E N 2.031 121.978 120.200 -0.421 0.000 2.256 1022 E HA 0.248 4.598 4.350 0.001 0.000 0.198 1022 E C -0.172 176.300 176.600 -0.213 0.000 0.908 1022 E CA 0.389 56.639 56.400 -0.250 0.000 0.915 1022 E CB 0.488 30.038 29.700 -0.249 0.000 0.890 1022 E HN 0.685 nan 8.360 nan 0.000 0.484 1023 S N 0.444 115.974 115.700 -0.283 0.000 2.579 1023 S HA 0.476 4.947 4.470 0.001 0.000 0.272 1023 S C -0.802 173.640 174.600 -0.264 0.000 1.141 1023 S CA -0.929 57.113 58.200 -0.263 0.000 0.843 1023 S CB 2.479 65.501 63.200 -0.296 0.000 1.122 1023 S HN 0.084 nan 8.310 nan 0.000 0.468 1024 N N 0.413 118.989 118.700 -0.207 0.000 2.264 1024 N HA 0.543 5.284 4.740 0.001 0.000 0.288 1024 N C -2.017 173.434 175.510 -0.098 0.000 1.094 1024 N CA -0.231 52.727 53.050 -0.153 0.000 0.817 1024 N CB 2.342 40.744 38.487 -0.142 0.000 1.604 1024 N HN 0.577 nan 8.380 nan 0.000 0.473 1025 T N 1.157 115.682 114.554 -0.048 0.000 2.991 1025 T HA 0.139 4.489 4.350 0.001 0.000 0.303 1025 T C -1.254 173.456 174.700 0.017 0.000 1.015 1025 T CA -0.647 61.450 62.100 -0.005 0.000 1.007 1025 T CB 1.446 70.336 68.868 0.036 0.000 1.034 1025 T HN 0.409 nan 8.240 nan 0.000 0.446 1026 D N 3.294 123.705 120.400 0.017 0.000 2.358 1026 D HA 0.092 4.733 4.640 0.001 0.000 0.258 1026 D C 0.725 177.052 176.300 0.045 0.000 1.223 1026 D CA -0.159 53.857 54.000 0.027 0.000 0.886 1026 D CB 0.562 41.373 40.800 0.019 0.000 1.120 1026 D HN 0.664 nan 8.370 nan 0.000 0.482 1027 I N 0.935 121.540 120.570 0.058 0.000 3.654 1027 I HA 0.215 4.385 4.170 0.001 0.000 0.337 1027 I C 1.332 177.492 176.117 0.071 0.000 1.568 1027 I CA -0.805 60.539 61.300 0.074 0.000 1.115 1027 I CB 0.472 38.534 38.000 0.103 0.000 1.300 1027 I HN 0.066 nan 8.210 nan 0.000 0.471 1028 K N 1.430 121.865 120.400 0.058 0.000 2.025 1028 K HA -0.110 4.210 4.320 0.001 0.000 0.207 1028 K C 1.342 177.973 176.600 0.051 0.000 1.049 1028 K CA 1.838 58.159 56.287 0.057 0.000 0.933 1028 K CB 0.058 32.584 32.500 0.044 0.000 0.714 1028 K HN 0.422 nan 8.250 nan 0.000 0.438 1029 D N 0.868 121.293 120.400 0.042 0.000 2.133 1029 D HA -0.165 4.476 4.640 0.001 0.000 0.195 1029 D C 0.876 177.199 176.300 0.038 0.000 0.997 1029 D CA 0.649 54.671 54.000 0.036 0.000 0.840 1029 D CB -0.141 40.676 40.800 0.029 0.000 0.947 1029 D HN 0.083 nan 8.370 nan 0.000 0.452 1030 I N 2.213 122.810 120.570 0.046 0.000 2.919 1030 I HA -0.172 3.998 4.170 0.001 0.000 0.303 1030 I C 1.274 177.419 176.117 0.046 0.000 1.221 1030 I CA 0.647 61.975 61.300 0.046 0.000 1.444 1030 I CB 0.264 38.302 38.000 0.063 0.000 1.331 1030 I HN -0.066 nan 8.210 nan 0.000 0.572 1031 R N 4.667 125.187 120.500 0.034 0.000 2.596 1031 R HA 0.255 4.595 4.340 0.001 0.000 0.216 1031 R C -0.056 176.259 176.300 0.025 0.000 1.348 1031 R CA -0.834 55.283 56.100 0.029 0.000 1.009 1031 R CB -0.114 30.196 30.300 0.018 0.000 1.947 1031 R HN 0.540 nan 8.270 nan 0.000 0.526 1032 E N 0.981 121.188 120.200 0.011 0.000 2.465 1032 E HA 0.043 4.393 4.350 0.001 0.000 0.260 1032 E C -0.977 175.612 176.600 -0.019 0.000 0.980 1032 E CA 0.123 56.519 56.400 -0.006 0.000 0.927 1032 E CB 0.555 30.245 29.700 -0.017 0.000 0.934 1032 E HN 0.068 nan 8.360 nan 0.000 0.459 1033 V N 7.070 126.961 119.914 -0.037 0.000 2.378 1033 V HA 0.246 4.366 4.120 0.001 0.000 0.288 1033 V C 0.122 176.145 176.094 -0.118 0.000 1.016 1033 V CA -0.613 61.662 62.300 -0.042 0.000 0.840 1033 V CB 1.358 33.194 31.823 0.021 0.000 0.994 1033 V HN 0.630 nan 8.190 nan 0.000 0.431 1034 I N 4.365 124.872 120.570 -0.106 0.000 2.421 1034 I HA 0.250 4.421 4.170 0.001 0.000 0.291 1034 I C 1.152 177.174 176.117 -0.159 0.000 1.089 1034 I CA 0.263 61.477 61.300 -0.143 0.000 1.354 1034 I CB 1.204 39.145 38.000 -0.098 0.000 1.413 1034 I HN 0.743 nan 8.210 nan 0.000 0.513 1035 A N 4.902 127.538 122.820 -0.307 0.000 2.431 1035 A HA 0.074 4.394 4.320 0.001 0.000 0.239 1035 A C 1.163 178.780 177.584 0.055 0.000 1.230 1035 A CA -0.165 51.754 52.037 -0.196 0.000 0.928 1035 A CB -0.310 18.221 19.000 -0.782 0.000 1.006 1035 A HN 0.798 nan 8.150 nan 0.000 0.520 1036 N N 0.065 118.764 118.700 -0.001 0.000 2.276 1036 N HA 0.241 4.981 4.740 0.001 0.000 0.212 1036 N C 0.780 176.347 175.510 0.095 0.000 1.127 1036 N CA 0.455 53.616 53.050 0.186 0.000 0.834 1036 N CB -0.251 38.348 38.487 0.186 0.000 1.014 1036 N HN 0.169 nan 8.380 nan 0.000 0.491 1037 G N -0.112 108.698 108.800 0.017 0.000 2.529 1037 G HA2 0.111 4.072 3.960 0.001 0.000 0.277 1037 G HA3 0.111 4.072 3.960 0.001 0.000 0.277 1037 G C -0.245 174.650 174.900 -0.008 0.000 1.383 1037 G CA -0.597 44.488 45.100 -0.025 0.000 1.050 1037 G HN 0.289 nan 8.290 nan 0.000 0.526 1038 E N -1.034 119.146 120.200 -0.035 0.000 2.390 1038 E HA 0.206 4.556 4.350 0.001 0.000 0.261 1038 E C -0.363 176.197 176.600 -0.068 0.000 1.076 1038 E CA 0.215 56.606 56.400 -0.014 0.000 0.905 1038 E CB 1.350 31.043 29.700 -0.012 0.000 0.984 1038 E HN 0.184 nan 8.360 nan 0.000 0.427 1039 I N 3.550 124.116 120.570 -0.008 0.000 2.355 1039 I HA 0.222 4.392 4.170 0.001 0.000 0.288 1039 I C -0.407 175.681 176.117 -0.050 0.000 0.999 1039 I CA -0.618 60.630 61.300 -0.086 0.000 1.163 1039 I CB 0.798 38.851 38.000 0.087 0.000 1.316 1039 I HN 0.229 nan 8.210 nan 0.000 0.454 1040 I N 6.697 127.162 120.570 -0.176 0.000 2.330 1040 I HA 0.291 4.462 4.170 0.001 0.000 0.289 1040 I C -0.494 175.531 176.117 -0.154 0.000 1.001 1040 I CA -0.373 60.887 61.300 -0.067 0.000 1.193 1040 I CB 0.851 38.807 38.000 -0.074 0.000 1.345 1040 I HN 0.331 nan 8.210 nan 0.000 0.461 1041 F N 6.355 126.269 119.950 -0.060 0.000 2.371 1041 F HA 0.523 5.051 4.527 0.003 0.000 0.363 1041 F C 0.491 176.293 175.800 0.004 0.000 1.122 1041 F CA -0.331 57.643 58.000 -0.043 0.000 1.129 1041 F CB 0.818 39.767 39.000 -0.085 0.000 1.173 1041 F HN 0.376 nan 8.300 nan 0.000 0.489 1042 K N 3.781 124.263 120.400 0.137 0.000 2.610 1042 K HA 0.329 4.649 4.320 0.001 0.000 0.267 1042 K C -1.873 174.787 176.600 0.100 0.000 0.943 1042 K CA -0.695 55.656 56.287 0.107 0.000 0.862 1042 K CB 1.286 33.817 32.500 0.051 0.000 1.376 1042 K HN 0.531 nan 8.250 nan 0.000 0.412 1043 L N 3.087 124.375 121.223 0.107 0.000 2.418 1043 L HA 0.243 4.583 4.340 0.001 0.000 0.274 1043 L C -0.436 176.484 176.870 0.083 0.000 1.135 1043 L CA 0.160 55.081 54.840 0.135 0.000 0.870 1043 L CB 0.510 42.599 42.059 0.051 0.000 1.154 1043 L HN 0.641 nan 8.230 nan 0.000 0.462 1044 D N 2.641 123.116 120.400 0.124 0.000 2.602 1044 D HA 0.680 5.320 4.640 0.001 0.000 0.245 1044 D C -0.202 176.153 176.300 0.092 0.000 1.325 1044 D CA 0.075 54.113 54.000 0.064 0.000 0.952 1044 D CB 1.572 42.385 40.800 0.021 0.000 1.317 1044 D HN 0.684 nan 8.370 nan 0.000 0.577 1045 G N 2.753 111.588 108.800 0.059 0.000 2.350 1045 G HA2 0.130 4.090 3.960 0.001 0.000 0.276 1045 G HA3 0.130 4.090 3.960 0.001 0.000 0.276 1045 G C -1.447 173.470 174.900 0.028 0.000 1.313 1045 G CA -0.892 44.245 45.100 0.063 0.000 0.903 1045 G HN 0.429 nan 8.290 nan 0.000 0.490 1046 D N 0.854 121.273 120.400 0.032 0.000 2.494 1046 D HA 0.491 5.132 4.640 0.001 0.000 0.217 1046 D C 0.844 177.130 176.300 -0.024 0.000 1.153 1046 D CA -0.300 53.704 54.000 0.007 0.000 0.954 1046 D CB -0.336 40.480 40.800 0.026 0.000 1.034 1046 D HN 0.633 nan 8.370 nan 0.000 0.518 1047 I N -1.069 119.452 120.570 -0.082 0.000 2.707 1047 I HA 0.524 4.694 4.170 0.001 0.000 0.309 1047 I C 0.029 176.079 176.117 -0.111 0.000 1.001 1047 I CA -1.054 60.142 61.300 -0.173 0.000 1.129 1047 I CB 1.681 39.473 38.000 -0.347 0.000 1.308 1047 I HN -0.002 nan 8.210 nan 0.000 0.466 1048 D N 3.038 123.372 120.400 -0.111 0.000 2.372 1048 D HA 0.129 4.770 4.640 0.001 0.000 0.243 1048 D C 0.927 177.192 176.300 -0.059 0.000 1.121 1048 D CA -0.110 53.855 54.000 -0.060 0.000 0.898 1048 D CB 1.409 42.185 40.800 -0.039 0.000 1.202 1048 D HN 0.613 nan 8.370 nan 0.000 0.428 1049 R N 0.556 121.039 120.500 -0.029 0.000 2.127 1049 R HA -0.129 4.211 4.340 0.001 0.000 0.238 1049 R C 1.898 178.202 176.300 0.007 0.000 1.134 1049 R CA 1.706 57.797 56.100 -0.015 0.000 0.975 1049 R CB -0.403 29.893 30.300 -0.005 0.000 0.865 1049 R HN 0.544 nan 8.270 nan 0.000 0.447 1050 T N -2.186 112.378 114.554 0.016 0.000 3.148 1050 T HA -0.046 4.305 4.350 0.001 0.000 0.253 1050 T C 0.790 175.543 174.700 0.088 0.000 1.134 1050 T CA -0.147 61.995 62.100 0.071 0.000 1.051 1050 T CB 0.114 69.019 68.868 0.060 0.000 0.959 1050 T HN -0.022 nan 8.240 nan 0.000 0.525 1051 Q N 1.785 121.571 119.800 -0.023 0.000 2.311 1051 Q HA 0.476 4.816 4.340 0.001 0.000 0.272 1051 Q C -0.629 175.369 176.000 -0.004 0.000 1.012 1051 Q CA -0.342 55.386 55.803 -0.125 0.000 0.891 1051 Q CB -0.038 28.535 28.738 -0.276 0.000 1.201 1051 Q HN 0.622 nan 8.270 nan 0.000 0.391 1052 F N 1.884 121.798 119.950 -0.061 0.000 2.685 1052 F HA 0.805 5.332 4.527 0.001 0.000 0.315 1052 F C -1.521 174.270 175.800 -0.016 0.000 1.126 1052 F CA -1.349 56.607 58.000 -0.073 0.000 0.950 1052 F CB 1.248 40.175 39.000 -0.121 0.000 1.360 1052 F HN 0.285 nan 8.300 nan 0.000 0.469 1053 I N 1.115 121.820 120.570 0.227 0.000 2.722 1053 I HA 0.197 4.368 4.170 0.001 0.000 0.292 1053 I C -1.845 174.320 176.117 0.081 0.000 1.267 1053 I CA -0.908 60.490 61.300 0.163 0.000 1.036 1053 I CB 1.892 39.995 38.000 0.172 0.000 1.281 1053 I HN 0.833 nan 8.210 nan 0.000 0.423 1054 W N 6.214 127.535 121.300 0.035 0.000 2.496 1054 W HA 0.742 5.401 4.660 -0.001 0.000 0.327 1054 W C 0.148 176.591 176.519 -0.127 0.000 1.086 1054 W CA -0.394 56.906 57.345 -0.075 0.000 1.222 1054 W CB 1.749 31.066 29.460 -0.239 0.000 1.304 1054 W HN 0.311 nan 8.180 nan 0.000 0.547 1055 M N 2.715 122.344 119.600 0.049 0.000 2.631 1055 M HA 0.497 4.977 4.480 0.001 0.000 0.288 1055 M C -1.277 175.007 176.300 -0.028 0.000 1.260 1055 M CA -0.780 54.478 55.300 -0.070 0.000 0.842 1055 M CB 2.427 34.618 32.600 -0.682 0.000 1.743 1055 M HN 0.387 nan 8.290 nan 0.000 0.461 1056 K N 1.522 122.099 120.400 0.295 0.000 2.572 1056 K HA 0.293 4.613 4.320 0.001 0.000 0.263 1056 K C -1.670 175.235 176.600 0.508 0.000 0.932 1056 K CA -0.520 55.875 56.287 0.179 0.000 0.838 1056 K CB 1.218 33.511 32.500 -0.345 0.000 1.366 1056 K HN 0.810 nan 8.250 nan 0.000 0.425 1057 Y N 1.564 122.139 120.300 0.458 0.000 3.057 1057 Y HA -0.282 4.267 4.550 -0.001 0.000 0.192 1057 Y C -0.706 175.563 175.900 0.616 0.000 1.448 1057 Y CA -0.065 58.324 58.100 0.482 0.000 1.065 1057 Y CB -1.087 37.650 38.460 0.463 0.000 1.369 1057 Y HN 0.474 nan 8.280 nan 0.000 0.460 1058 F N 1.820 122.167 119.950 0.663 0.000 2.472 1058 F HA 0.466 4.992 4.527 -0.002 0.000 0.364 1058 F C 0.349 176.442 175.800 0.489 0.000 1.090 1058 F CA 0.108 58.495 58.000 0.646 0.000 1.188 1058 F CB 0.656 40.049 39.000 0.655 0.000 1.105 1058 F HN 0.018 nan 8.300 nan 0.000 0.536 1059 S N 6.257 121.901 115.700 -0.095 0.000 2.569 1059 S HA 0.710 5.180 4.470 0.001 0.000 0.280 1059 S C -0.961 173.533 174.600 -0.178 0.000 1.111 1059 S CA -0.734 57.436 58.200 -0.051 0.000 0.887 1059 S CB 1.836 65.070 63.200 0.057 0.000 1.095 1059 S HN 0.498 nan 8.310 nan 0.000 0.476 1060 I N 1.954 122.457 120.570 -0.113 0.000 2.582 1060 I HA 0.517 4.687 4.170 0.001 0.000 0.292 1060 I C -1.597 174.438 176.117 -0.137 0.000 1.066 1060 I CA -0.561 60.727 61.300 -0.021 0.000 1.053 1060 I CB 1.611 39.642 38.000 0.052 0.000 1.241 1060 I HN 0.451 nan 8.210 nan 0.000 0.421 1061 F N 3.143 123.037 119.950 -0.094 0.000 2.508 1061 F HA 0.302 4.832 4.527 0.004 0.000 0.325 1061 F C 0.820 176.581 175.800 -0.064 0.000 1.090 1061 F CA -1.027 56.924 58.000 -0.082 0.000 0.945 1061 F CB 1.244 40.195 39.000 -0.082 0.000 1.156 1061 F HN 0.484 nan 8.300 nan 0.000 0.463 1062 N N -0.017 118.727 118.700 0.074 0.000 2.410 1062 N HA 0.105 4.845 4.740 0.001 0.000 0.231 1062 N C -0.335 175.274 175.510 0.165 0.000 1.172 1062 N CA 0.048 53.137 53.050 0.066 0.000 0.849 1062 N CB 0.380 38.841 38.487 -0.043 0.000 1.116 1062 N HN 0.592 nan 8.380 nan 0.000 0.485 1063 T N -1.484 113.175 114.554 0.174 0.000 2.792 1063 T HA 0.208 4.559 4.350 0.001 0.000 0.303 1063 T C -1.985 172.729 174.700 0.024 0.000 1.310 1063 T CA -0.857 61.310 62.100 0.111 0.000 1.007 1063 T CB 1.410 70.339 68.868 0.101 0.000 1.335 1063 T HN 0.239 nan 8.240 nan 0.000 0.504 1064 E N 2.863 123.056 120.200 -0.011 0.000 2.152 1064 E HA 0.401 4.752 4.350 0.001 0.000 0.285 1064 E C -0.518 175.984 176.600 -0.163 0.000 1.043 1064 E CA -0.457 55.884 56.400 -0.100 0.000 0.839 1064 E CB 0.413 30.091 29.700 -0.037 0.000 1.069 1064 E HN 0.503 nan 8.360 nan 0.000 0.399 1065 L N 3.625 124.664 121.223 -0.306 0.000 2.439 1065 L HA 0.130 4.471 4.340 0.001 0.000 0.269 1065 L C 0.731 177.408 176.870 -0.322 0.000 1.179 1065 L CA -0.307 54.303 54.840 -0.383 0.000 0.828 1065 L CB 1.109 42.806 42.059 -0.603 0.000 1.106 1065 L HN 0.635 nan 8.230 nan 0.000 0.467 1066 S N 0.917 116.461 115.700 -0.261 0.000 2.669 1066 S HA 0.094 4.565 4.470 0.001 0.000 0.270 1066 S C 0.609 175.036 174.600 -0.289 0.000 1.225 1066 S CA -0.692 57.386 58.200 -0.203 0.000 0.991 1066 S CB 1.536 64.663 63.200 -0.122 0.000 0.987 1066 S HN 0.667 nan 8.310 nan 0.000 0.552 1067 Q N 0.809 120.485 119.800 -0.207 0.000 2.135 1067 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 1067 Q C 2.112 178.014 176.000 -0.163 0.000 0.981 1067 Q CA 2.111 57.790 55.803 -0.206 0.000 0.856 1067 Q CB -0.777 27.967 28.738 0.009 0.000 0.902 1067 Q HN 0.827 nan 8.270 nan 0.000 0.425 1068 S N 0.486 116.117 115.700 -0.114 0.000 2.368 1068 S HA -0.106 4.364 4.470 0.001 0.000 0.225 1068 S C 1.603 176.143 174.600 -0.101 0.000 1.030 1068 S CA 1.256 59.406 58.200 -0.082 0.000 0.999 1068 S CB -0.099 63.064 63.200 -0.062 0.000 0.844 1068 S HN 0.458 nan 8.310 nan 0.000 0.459 1069 N N 1.383 119.994 118.700 -0.148 0.000 2.120 1069 N HA -0.012 4.729 4.740 0.001 0.000 0.188 1069 N C 1.834 177.246 175.510 -0.164 0.000 1.024 1069 N CA 1.533 54.485 53.050 -0.162 0.000 0.852 1069 N CB -0.521 37.822 38.487 -0.239 0.000 1.003 1069 N HN 0.471 nan 8.380 nan 0.000 0.424 1070 I N 1.199 121.625 120.570 -0.240 0.000 2.142 1070 I HA -0.250 3.920 4.170 0.001 0.000 0.240 1070 I C 2.509 178.626 176.117 -0.001 0.000 1.078 1070 I CA 1.156 62.341 61.300 -0.191 0.000 1.343 1070 I CB -0.270 37.439 38.000 -0.485 0.000 1.046 1070 I HN 0.075 nan 8.210 nan 0.000 0.405 1071 E N 1.408 121.589 120.200 -0.032 0.000 2.085 1071 E HA -0.300 4.050 4.350 0.001 0.000 0.194 1071 E C 1.993 178.658 176.600 0.107 0.000 0.994 1071 E CA 1.822 58.264 56.400 0.070 0.000 0.801 1071 E CB -0.172 29.547 29.700 0.031 0.000 0.743 1071 E HN 0.445 nan 8.360 nan 0.000 0.453 1072 E N -0.186 120.029 120.200 0.024 0.000 2.051 1072 E HA -0.225 4.125 4.350 0.001 0.000 0.192 1072 E C 2.282 178.879 176.600 -0.005 0.000 0.991 1072 E CA 1.077 57.478 56.400 0.002 0.000 0.799 1072 E CB -0.135 29.549 29.700 -0.027 0.000 0.748 1072 E HN 0.173 nan 8.360 nan 0.000 0.449 1073 R N -0.578 119.922 120.500 -0.000 0.000 2.096 1073 R HA -0.216 4.124 4.340 0.001 0.000 0.235 1073 R C 2.362 178.569 176.300 -0.154 0.000 1.127 1073 R CA 1.630 57.715 56.100 -0.024 0.000 0.968 1073 R CB -0.421 29.923 30.300 0.074 0.000 0.861 1073 R HN 0.275 nan 8.270 nan 0.000 0.440 1074 Y N 1.433 121.559 120.300 -0.289 0.000 2.128 1074 Y HA -0.244 4.306 4.550 0.001 0.000 0.284 1074 Y C 1.666 177.524 175.900 -0.070 0.000 1.154 1074 Y CA 1.928 59.798 58.100 -0.384 0.000 1.149 1074 Y CB -0.090 38.307 38.460 -0.105 0.000 0.976 1074 Y HN -0.025 nan 8.280 nan 0.000 0.505 1075 K N -0.150 120.161 120.400 -0.148 0.000 2.097 1075 K HA -0.109 4.211 4.320 0.001 0.000 0.205 1075 K C 2.130 178.657 176.600 -0.121 0.000 1.050 1075 K CA 1.778 57.953 56.287 -0.186 0.000 0.938 1075 K CB -0.257 32.208 32.500 -0.059 0.000 0.718 1075 K HN 0.365 nan 8.250 nan 0.000 0.442 1076 I N 1.405 121.922 120.570 -0.088 0.000 2.252 1076 I HA -0.274 3.896 4.170 0.001 0.000 0.245 1076 I C 2.071 178.157 176.117 -0.053 0.000 1.102 1076 I CA 1.385 62.643 61.300 -0.069 0.000 1.385 1076 I CB -0.138 37.818 38.000 -0.074 0.000 1.064 1076 I HN 0.192 nan 8.210 nan 0.000 0.414 1077 Q N -0.259 119.511 119.800 -0.050 0.000 2.451 1077 Q HA -0.002 4.338 4.340 0.001 0.000 0.206 1077 Q C 2.081 177.960 176.000 -0.202 0.000 0.947 1077 Q CA 0.663 56.458 55.803 -0.013 0.000 0.937 1077 Q CB 0.203 29.078 28.738 0.228 0.000 1.025 1077 Q HN 0.389 nan 8.270 nan 0.000 0.511 1078 S N -0.140 115.454 115.700 -0.177 0.000 2.458 1078 S HA -0.025 4.445 4.470 0.001 0.000 0.223 1078 S C 0.220 174.685 174.600 -0.225 0.000 1.019 1078 S CA -0.211 57.834 58.200 -0.259 0.000 0.937 1078 S CB -0.041 62.995 63.200 -0.273 0.000 0.788 1078 S HN 0.381 nan 8.310 nan 0.000 0.511 1079 Y N 3.943 124.097 120.300 -0.244 0.000 2.610 1079 Y HA 0.290 4.840 4.550 -0.001 0.000 0.332 1079 Y C 0.294 176.000 175.900 -0.324 0.000 1.201 1079 Y CA -0.034 57.920 58.100 -0.243 0.000 1.465 1079 Y CB 0.303 38.645 38.460 -0.197 0.000 1.283 1079 Y HN 0.160 nan 8.280 nan 0.000 0.563 1080 S N 3.468 118.244 115.700 -1.539 0.000 2.552 1080 S HA 0.264 4.734 4.470 0.001 0.000 0.272 1080 S C -0.351 173.456 174.600 -1.322 0.000 1.150 1080 S CA -1.022 56.345 58.200 -1.388 0.000 0.849 1080 S CB 1.524 63.764 63.200 -1.599 0.000 1.113 1080 S HN 0.650 nan 8.310 nan 0.000 0.458 1081 E N 0.164 119.834 120.200 -0.883 0.000 2.427 1081 E HA 0.079 4.429 4.350 0.001 0.000 0.196 1081 E C 0.099 176.498 176.600 -0.335 0.000 1.028 1081 E CA 0.794 56.926 56.400 -0.446 0.000 0.864 1081 E CB -0.255 29.337 29.700 -0.181 0.000 0.813 1081 E HN 0.758 nan 8.360 nan 0.000 0.514 1082 Y N -1.168 118.979 120.300 -0.256 0.000 2.567 1082 Y HA 0.596 5.145 4.550 -0.001 0.000 0.333 1082 Y C 0.136 175.901 175.900 -0.225 0.000 1.106 1082 Y CA -1.711 56.262 58.100 -0.212 0.000 1.157 1082 Y CB 0.149 38.501 38.460 -0.180 0.000 1.277 1082 Y HN -0.335 nan 8.280 nan 0.000 0.490 1083 L N 1.893 123.162 121.223 0.076 0.000 2.439 1083 L HA 0.488 4.828 4.340 0.001 0.000 0.259 1083 L C 0.023 176.932 176.870 0.065 0.000 1.129 1083 L CA -0.595 54.250 54.840 0.009 0.000 0.803 1083 L CB 0.698 42.721 42.059 -0.060 0.000 1.161 1083 L HN 0.677 nan 8.230 nan 0.000 0.462 1084 K N -0.395 120.015 120.400 0.018 0.000 2.306 1084 K HA 0.422 4.743 4.320 0.001 0.000 0.236 1084 K C -1.234 175.313 176.600 -0.088 0.000 1.013 1084 K CA -0.926 55.325 56.287 -0.059 0.000 0.857 1084 K CB 1.400 33.820 32.500 -0.133 0.000 1.214 1084 K HN 0.640 nan 8.250 nan 0.000 0.449 1085 D N -0.644 119.672 120.400 -0.139 0.000 2.529 1085 D HA 0.030 4.670 4.640 0.001 0.000 0.273 1085 D C 0.656 176.877 176.300 -0.131 0.000 1.197 1085 D CA -0.565 53.368 54.000 -0.112 0.000 1.070 1085 D CB 0.069 40.836 40.800 -0.055 0.000 1.134 1085 D HN 0.412 nan 8.370 nan 0.000 0.590 1086 F N -0.706 119.035 119.950 -0.348 0.000 2.250 1086 F HA -0.020 4.507 4.527 0.001 0.000 0.301 1086 F C 1.262 176.799 175.800 -0.439 0.000 1.077 1086 F CA 1.045 58.747 58.000 -0.498 0.000 1.348 1086 F CB -0.060 38.413 39.000 -0.879 0.000 1.040 1086 F HN 0.372 nan 8.300 nan 0.000 0.509 1087 W N -0.531 120.767 121.300 -0.003 0.000 2.863 1087 W HA 0.300 4.960 4.660 -0.000 0.000 0.258 1087 W C 1.866 178.270 176.519 -0.192 0.000 1.298 1087 W CA 0.540 57.851 57.345 -0.056 0.000 1.451 1087 W CB -0.113 29.379 29.460 0.054 0.000 1.107 1087 W HN 0.141 nan 8.180 nan 0.000 0.641 1088 G N -0.163 108.358 108.800 -0.464 0.000 2.179 1088 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 1088 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 1088 G C 0.088 174.800 174.900 -0.313 0.000 0.990 1088 G CA -0.520 43.974 45.100 -1.009 0.000 0.646 1088 G HN 0.108 nan 8.290 nan 0.000 0.517 1089 N N 1.318 119.984 118.700 -0.056 0.000 2.463 1089 N HA 0.481 5.222 4.740 0.001 0.000 0.270 1089 N C -2.689 172.728 175.510 -0.156 0.000 1.205 1089 N CA -1.386 51.626 53.050 -0.064 0.000 0.974 1089 N CB 0.681 39.194 38.487 0.044 0.000 1.197 1089 N HN 0.022 nan 8.380 nan 0.000 0.504 1090 P HA -0.004 nan 4.420 nan 0.000 0.265 1090 P C -0.068 177.077 177.300 -0.258 0.000 1.193 1090 P CA -0.254 62.570 63.100 -0.459 0.000 0.765 1090 P CB 0.423 31.613 31.700 -0.851 0.000 0.823 1091 L N 4.736 125.825 121.223 -0.222 0.000 2.416 1091 L HA 0.216 4.557 4.340 0.001 0.000 0.272 1091 L C -0.127 176.628 176.870 -0.191 0.000 1.161 1091 L CA 1.048 55.773 54.840 -0.192 0.000 0.845 1091 L CB -0.211 41.685 42.059 -0.271 0.000 1.119 1091 L HN 0.291 nan 8.230 nan 0.000 0.464 1092 M N 4.413 124.000 119.600 -0.022 0.000 2.602 1092 M HA 0.322 4.802 4.480 0.001 0.000 0.312 1092 M C -0.818 175.414 176.300 -0.112 0.000 1.181 1092 M CA -0.446 54.808 55.300 -0.077 0.000 0.910 1092 M CB 1.599 34.190 32.600 -0.016 0.000 1.723 1092 M HN 0.383 nan 8.290 nan 0.000 0.459 1093 Y N 1.262 121.546 120.300 -0.026 0.000 2.307 1093 Y HA 0.202 4.752 4.550 -0.000 0.000 0.324 1093 Y C 0.882 176.758 175.900 -0.041 0.000 1.238 1093 Y CA 0.203 58.286 58.100 -0.028 0.000 1.280 1093 Y CB 0.614 39.058 38.460 -0.027 0.000 1.248 1093 Y HN 0.738 nan 8.280 nan 0.000 0.508 1094 N N 1.293 120.082 118.700 0.149 0.000 2.738 1094 N HA -0.247 4.493 4.740 0.001 0.000 0.249 1094 N C -0.864 174.630 175.510 -0.026 0.000 1.047 1094 N CA 0.855 53.945 53.050 0.068 0.000 0.707 1094 N CB -0.864 37.666 38.487 0.073 0.000 0.937 1094 N HN 0.595 nan 8.380 nan 0.000 0.545 1095 K N 0.665 120.978 120.400 -0.144 0.000 2.482 1095 K HA 0.235 4.555 4.320 0.001 0.000 0.251 1095 K C -0.609 175.686 176.600 -0.508 0.000 0.936 1095 K CA -0.520 55.558 56.287 -0.348 0.000 0.791 1095 K CB 1.690 33.880 32.500 -0.515 0.000 1.213 1095 K HN 0.037 nan 8.250 nan 0.000 0.428 1096 E N 2.955 122.966 120.200 -0.315 0.000 2.376 1096 E HA 0.040 4.390 4.350 0.001 0.000 0.266 1096 E C -1.042 175.372 176.600 -0.311 0.000 1.009 1096 E CA 0.463 56.744 56.400 -0.199 0.000 0.902 1096 E CB 0.533 30.162 29.700 -0.118 0.000 0.972 1096 E HN 0.382 nan 8.360 nan 0.000 0.439 1097 Y N 1.170 121.504 120.300 0.057 0.000 2.470 1097 Y HA 0.255 4.805 4.550 0.000 0.000 0.341 1097 Y C -0.668 175.312 175.900 0.134 0.000 1.021 1097 Y CA -1.181 57.010 58.100 0.151 0.000 1.025 1097 Y CB 1.325 40.009 38.460 0.374 0.000 1.266 1097 Y HN 0.450 nan 8.280 nan 0.000 0.448 1098 Y N 2.213 122.789 120.300 0.460 0.000 2.354 1098 Y HA 0.492 5.043 4.550 0.000 0.000 0.322 1098 Y C 0.142 176.176 175.900 0.223 0.000 1.253 1098 Y CA -0.659 57.644 58.100 0.339 0.000 1.272 1098 Y CB 1.039 39.624 38.460 0.208 0.000 1.255 1098 Y HN 0.351 nan 8.280 nan 0.000 0.500 1099 M N 2.884 122.654 119.600 0.283 0.000 2.336 1099 M HA 0.306 4.786 4.480 0.001 0.000 0.342 1099 M C -1.379 175.000 176.300 0.132 0.000 1.128 1099 M CA -0.538 54.745 55.300 -0.028 0.000 1.016 1099 M CB 1.394 33.726 32.600 -0.447 0.000 1.665 1099 M HN 0.572 nan 8.290 nan 0.000 0.445 1100 F N 3.366 123.283 119.950 -0.056 0.000 2.508 1100 F HA 0.499 5.026 4.527 0.001 0.000 0.325 1100 F C -0.664 175.151 175.800 0.025 0.000 1.090 1100 F CA -0.642 57.329 58.000 -0.048 0.000 0.945 1100 F CB 1.117 40.009 39.000 -0.180 0.000 1.156 1100 F HN 0.487 nan 8.300 nan 0.000 0.463 1101 N N 4.124 122.269 118.700 -0.926 0.000 2.407 1101 N HA 0.349 5.090 4.740 0.001 0.000 0.277 1101 N C 0.146 174.979 175.510 -1.129 0.000 0.995 1101 N CA 0.143 52.570 53.050 -1.037 0.000 0.903 1101 N CB 2.075 39.931 38.487 -1.052 0.000 1.218 1101 N HN 0.879 nan 8.380 nan 0.000 0.487 1102 A N 2.805 125.218 122.820 -0.678 0.000 2.067 1102 A HA 0.016 4.337 4.320 0.001 0.000 0.219 1102 A C 1.685 179.105 177.584 -0.273 0.000 1.158 1102 A CA 1.676 53.527 52.037 -0.309 0.000 0.661 1102 A CB -0.389 18.592 19.000 -0.032 0.000 0.801 1102 A HN 0.709 nan 8.150 nan 0.000 0.452 1103 G N -1.143 107.449 108.800 -0.347 0.000 2.777 1103 G HA2 0.143 4.103 3.960 0.001 0.000 0.211 1103 G HA3 0.143 4.103 3.960 0.001 0.000 0.211 1103 G C 0.113 174.883 174.900 -0.216 0.000 1.149 1103 G CA 0.285 45.253 45.100 -0.220 0.000 0.785 1103 G HN 0.526 nan 8.290 nan 0.000 0.536 1104 N N 0.109 118.616 118.700 -0.321 0.000 2.726 1104 N HA 0.212 4.952 4.740 0.001 0.000 0.253 1104 N C 0.952 176.270 175.510 -0.320 0.000 1.530 1104 N CA -0.524 52.376 53.050 -0.249 0.000 0.772 1104 N CB 1.360 39.719 38.487 -0.213 0.000 1.220 1104 N HN -0.191 nan 8.380 nan 0.000 0.508 1105 K N 0.356 120.594 120.400 -0.270 0.000 2.052 1105 K HA -0.136 4.185 4.320 0.001 0.000 0.215 1105 K C 0.551 177.121 176.600 -0.050 0.000 1.053 1105 K CA 1.399 57.565 56.287 -0.202 0.000 0.934 1105 K CB -0.239 32.326 32.500 0.110 0.000 0.717 1105 K HN 0.385 nan 8.250 nan 0.000 0.450 1106 N N 1.073 119.773 118.700 -0.000 0.000 2.421 1106 N HA 0.003 4.743 4.740 0.001 0.000 0.201 1106 N C -0.327 175.202 175.510 0.032 0.000 1.198 1106 N CA 0.173 53.255 53.050 0.053 0.000 0.838 1106 N CB 0.246 38.767 38.487 0.057 0.000 1.011 1106 N HN 0.047 nan 8.380 nan 0.000 0.463 1107 S N 0.284 115.963 115.700 -0.034 0.000 2.578 1107 S HA 0.625 5.095 4.470 0.001 0.000 0.301 1107 S C -0.577 174.051 174.600 0.046 0.000 1.091 1107 S CA -0.720 57.445 58.200 -0.058 0.000 1.032 1107 S CB 1.371 64.501 63.200 -0.118 0.000 1.064 1107 S HN 0.376 nan 8.310 nan 0.000 0.508 1108 Y N -1.157 119.130 120.300 -0.022 0.000 2.615 1108 Y HA 0.776 5.326 4.550 0.001 0.000 0.341 1108 Y C -1.534 174.358 175.900 -0.013 0.000 1.089 1108 Y CA -1.535 56.568 58.100 0.005 0.000 1.049 1108 Y CB 0.492 38.967 38.460 0.025 0.000 1.296 1108 Y HN 0.483 nan 8.280 nan 0.000 0.470 1109 I N 2.752 123.448 120.570 0.210 0.000 2.336 1109 I HA 0.444 4.614 4.170 0.001 0.000 0.292 1109 I C -0.463 175.722 176.117 0.113 0.000 0.991 1109 I CA -0.668 60.638 61.300 0.010 0.000 1.227 1109 I CB 1.552 39.401 38.000 -0.252 0.000 1.366 1109 I HN 0.609 nan 8.210 nan 0.000 0.466 1110 K N 6.403 126.808 120.400 0.007 0.000 2.471 1110 K HA 0.401 4.721 4.320 0.001 0.000 0.252 1110 K C -1.187 175.383 176.600 -0.050 0.000 0.938 1110 K CA -0.949 55.354 56.287 0.028 0.000 0.796 1110 K CB 1.953 34.529 32.500 0.126 0.000 1.161 1110 K HN 0.446 nan 8.250 nan 0.000 0.425 1111 L N 4.059 125.229 121.223 -0.088 0.000 2.584 1111 L HA 0.082 4.422 4.340 0.001 0.000 0.272 1111 L C -0.087 176.787 176.870 0.007 0.000 1.195 1111 L CA 0.832 55.644 54.840 -0.047 0.000 0.920 1111 L CB 0.132 42.175 42.059 -0.028 0.000 1.173 1111 L HN 0.584 nan 8.230 nan 0.000 0.489 1112 K N 4.655 125.080 120.400 0.041 0.000 2.412 1112 K HA -0.024 4.296 4.320 0.001 0.000 0.281 1112 K C 1.167 177.798 176.600 0.052 0.000 1.027 1112 K CA 0.133 56.447 56.287 0.046 0.000 0.989 1112 K CB 0.706 33.262 32.500 0.093 0.000 0.935 1112 K HN 0.765 nan 8.250 nan 0.000 0.475 1113 K N 2.961 123.379 120.400 0.031 0.000 2.052 1113 K HA -0.255 4.065 4.320 0.001 0.000 0.215 1113 K C 0.682 177.314 176.600 0.053 0.000 1.053 1113 K CA 2.680 58.986 56.287 0.032 0.000 0.934 1113 K CB 0.005 32.515 32.500 0.017 0.000 0.717 1113 K HN 0.813 nan 8.250 nan 0.000 0.450 1114 D N -1.318 119.115 120.400 0.054 0.000 2.369 1114 D HA 0.070 4.710 4.640 0.001 0.000 0.211 1114 D C -0.235 176.113 176.300 0.080 0.000 1.077 1114 D CA -0.334 53.704 54.000 0.063 0.000 0.842 1114 D CB 0.697 41.525 40.800 0.046 0.000 0.947 1114 D HN -0.092 nan 8.370 nan 0.000 0.509 1115 S N 0.512 116.268 115.700 0.093 0.000 2.566 1115 S HA 0.443 4.913 4.470 0.001 0.000 0.298 1115 S C -2.482 172.192 174.600 0.124 0.000 1.083 1115 S CA -1.221 57.041 58.200 0.104 0.000 0.978 1115 S CB 2.122 65.379 63.200 0.094 0.000 1.073 1115 S HN 0.024 nan 8.310 nan 0.000 0.491 1116 P HA 0.137 nan 4.420 nan 0.000 0.246 1116 P C -0.326 176.993 177.300 0.032 0.000 1.686 1116 P CA 0.073 63.174 63.100 0.002 0.000 0.867 1116 P CB -0.546 31.041 31.700 -0.189 0.000 1.733 1117 V N -3.690 116.303 119.914 0.132 0.000 3.074 1117 V HA 0.948 5.068 4.120 0.001 0.000 0.314 1117 V C -0.055 176.165 176.094 0.209 0.000 1.117 1117 V CA -1.162 61.255 62.300 0.196 0.000 1.014 1117 V CB 1.783 33.739 31.823 0.222 0.000 1.057 1117 V HN 0.066 nan 8.190 nan 0.000 0.438 1118 G N 1.854 110.822 108.800 0.281 0.000 2.468 1118 G HA2 0.566 4.526 3.960 0.001 0.000 0.320 1118 G HA3 0.566 4.526 3.960 0.001 0.000 0.320 1118 G C -0.241 174.738 174.900 0.132 0.000 1.137 1118 G CA -0.307 44.899 45.100 0.176 0.000 0.984 1118 G HN 1.089 nan 8.290 nan 0.000 0.462 1119 E N 2.286 122.454 120.200 -0.052 0.000 2.349 1119 E HA 0.363 4.713 4.350 0.001 0.000 0.262 1119 E C -0.572 175.870 176.600 -0.264 0.000 1.088 1119 E CA -0.759 55.434 56.400 -0.346 0.000 0.899 1119 E CB 1.339 30.827 29.700 -0.353 0.000 1.044 1119 E HN 0.111 nan 8.360 nan 0.000 0.420 1120 I N 3.097 123.474 120.570 -0.322 0.000 2.330 1120 I HA 0.265 4.436 4.170 0.001 0.000 0.289 1120 I C -0.030 175.871 176.117 -0.359 0.000 1.001 1120 I CA -0.539 60.607 61.300 -0.256 0.000 1.193 1120 I CB 0.384 38.312 38.000 -0.120 0.000 1.345 1120 I HN 0.564 nan 8.210 nan 0.000 0.461 1121 L N 4.761 125.618 121.223 -0.610 0.000 2.313 1121 L HA 0.548 4.888 4.340 0.001 0.000 0.268 1121 L C 0.491 176.977 176.870 -0.639 0.000 1.010 1121 L CA -0.808 53.619 54.840 -0.688 0.000 0.814 1121 L CB 1.701 43.220 42.059 -0.900 0.000 1.304 1121 L HN 0.414 nan 8.230 nan 0.000 0.441 1122 T N 0.952 115.327 114.554 -0.299 0.000 2.780 1122 T HA 0.277 4.627 4.350 0.001 0.000 0.294 1122 T C 0.200 174.997 174.700 0.161 0.000 0.949 1122 T CA -0.491 61.568 62.100 -0.069 0.000 1.074 1122 T CB 0.368 69.226 68.868 -0.017 0.000 0.910 1122 T HN 0.376 nan 8.240 nan 0.000 0.501 1123 R N 2.315 122.978 120.500 0.272 0.000 2.585 1123 R HA 0.182 4.523 4.340 0.001 0.000 0.275 1123 R C 0.978 177.400 176.300 0.204 0.000 1.018 1123 R CA -0.232 56.074 56.100 0.343 0.000 1.072 1123 R CB 0.259 30.696 30.300 0.228 0.000 0.953 1123 R HN 0.757 nan 8.270 nan 0.000 0.419 1124 S N 2.301 118.100 115.700 0.165 0.000 2.600 1124 S HA 0.192 4.662 4.470 0.001 0.000 0.265 1124 S C -0.015 174.640 174.600 0.091 0.000 1.325 1124 S CA -0.733 57.530 58.200 0.105 0.000 1.002 1124 S CB 0.970 64.215 63.200 0.075 0.000 0.921 1124 S HN 0.610 nan 8.310 nan 0.000 0.554 1125 K N -0.261 120.167 120.400 0.047 0.000 2.258 1125 K HA 0.418 4.739 4.320 0.001 0.000 0.236 1125 K C -0.907 175.640 176.600 -0.088 0.000 1.008 1125 K CA -1.080 55.210 56.287 0.004 0.000 0.869 1125 K CB 0.415 32.921 32.500 0.011 0.000 1.171 1125 K HN 0.570 nan 8.250 nan 0.000 0.447 1126 Y N 1.996 122.026 120.300 -0.449 0.000 2.805 1126 Y HA -0.079 4.471 4.550 0.001 0.000 0.331 1126 Y C 0.356 176.126 175.900 -0.216 0.000 1.241 1126 Y CA 0.350 58.102 58.100 -0.580 0.000 1.546 1126 Y CB 0.202 38.139 38.460 -0.872 0.000 1.248 1126 Y HN 0.655 nan 8.280 nan 0.000 0.559 1127 N N 3.817 122.172 118.700 -0.575 0.000 2.290 1127 N HA -0.073 4.668 4.740 0.001 0.000 0.179 1127 N C 0.207 175.321 175.510 -0.660 0.000 1.016 1127 N CA 0.613 53.373 53.050 -0.483 0.000 0.871 1127 N CB -0.017 38.329 38.487 -0.235 0.000 0.987 1127 N HN 0.768 nan 8.380 nan 0.000 0.431 1128 Q N 0.959 120.166 119.800 -0.988 0.000 2.793 1128 Q HA -0.005 4.336 4.340 0.001 0.000 0.220 1128 Q C 0.638 176.362 176.000 -0.460 0.000 1.123 1128 Q CA 0.348 55.788 55.803 -0.605 0.000 1.073 1128 Q CB 0.226 28.798 28.738 -0.277 0.000 1.315 1128 Q HN 0.363 nan 8.270 nan 0.000 0.619 1129 N N -0.642 117.998 118.700 -0.099 0.000 2.321 1129 N HA 0.018 4.758 4.740 0.001 0.000 0.242 1129 N C -0.579 175.007 175.510 0.126 0.000 1.141 1129 N CA -0.102 52.955 53.050 0.012 0.000 0.864 1129 N CB 0.621 39.103 38.487 -0.009 0.000 1.100 1129 N HN 0.212 nan 8.380 nan 0.000 0.510 1130 S N 1.093 116.965 115.700 0.286 0.000 2.560 1130 S HA 0.019 4.490 4.470 0.001 0.000 0.284 1130 S C 1.322 176.001 174.600 0.132 0.000 1.327 1130 S CA -0.349 57.988 58.200 0.229 0.000 1.055 1130 S CB 0.712 64.058 63.200 0.245 0.000 0.868 1130 S HN 0.568 nan 8.310 nan 0.000 0.506 1131 K N 3.270 123.666 120.400 -0.006 0.000 2.361 1131 K HA 0.021 4.341 4.320 0.001 0.000 0.196 1131 K C 0.820 177.292 176.600 -0.215 0.000 1.039 1131 K CA 0.941 57.136 56.287 -0.152 0.000 1.001 1131 K CB -0.196 32.124 32.500 -0.301 0.000 0.795 1131 K HN 0.690 nan 8.250 nan 0.000 0.495 1132 Y N 2.236 122.506 120.300 -0.049 0.000 2.475 1132 Y HA 0.221 4.771 4.550 0.001 0.000 0.289 1132 Y C 1.213 177.008 175.900 -0.175 0.000 1.121 1132 Y CA -0.300 57.740 58.100 -0.099 0.000 1.257 1132 Y CB 0.233 38.621 38.460 -0.120 0.000 1.026 1132 Y HN 0.121 nan 8.280 nan 0.000 0.555 1133 I N -2.018 118.492 120.570 -0.100 0.000 2.730 1133 I HA 0.512 4.682 4.170 0.001 0.000 0.298 1133 I C -1.098 174.865 176.117 -0.257 0.000 1.089 1133 I CA -1.081 60.060 61.300 -0.264 0.000 1.041 1133 I CB 2.531 40.148 38.000 -0.638 0.000 1.235 1133 I HN -0.087 nan 8.210 nan 0.000 0.423 1134 N N 3.631 122.295 118.700 -0.060 0.000 2.446 1134 N HA 0.517 5.258 4.740 0.001 0.000 0.272 1134 N C -2.141 173.507 175.510 0.229 0.000 1.127 1134 N CA -0.190 52.874 53.050 0.023 0.000 0.896 1134 N CB 2.967 41.515 38.487 0.101 0.000 1.658 1134 N HN 0.854 nan 8.380 nan 0.000 0.483 1135 Y N -0.611 119.825 120.300 0.226 0.000 2.702 1135 Y HA 0.563 5.113 4.550 0.001 0.000 0.336 1135 Y C -1.707 174.353 175.900 0.266 0.000 1.203 1135 Y CA -1.116 57.151 58.100 0.279 0.000 1.072 1135 Y CB 0.626 39.312 38.460 0.376 0.000 1.327 1135 Y HN 0.272 nan 8.280 nan 0.000 0.456 1136 R N 1.619 122.406 120.500 0.479 0.000 2.474 1136 R HA 0.306 4.647 4.340 0.001 0.000 0.295 1136 R C -1.163 175.388 176.300 0.418 0.000 0.980 1136 R CA -0.825 55.468 56.100 0.322 0.000 0.934 1136 R CB 1.282 31.712 30.300 0.216 0.000 1.101 1136 R HN 0.807 nan 8.270 nan 0.000 0.469 1137 D N 2.662 123.244 120.400 0.303 0.000 2.443 1137 D HA 0.002 4.642 4.640 0.001 0.000 0.239 1137 D C 1.229 177.504 176.300 -0.041 0.000 1.136 1137 D CA 0.274 54.402 54.000 0.213 0.000 0.879 1137 D CB 1.243 42.114 40.800 0.118 0.000 1.195 1137 D HN 0.348 nan 8.370 nan 0.000 0.443 1138 L N 1.275 122.338 121.223 -0.266 0.000 2.425 1138 L HA 0.008 4.348 4.340 0.001 0.000 0.215 1138 L C 0.514 177.054 176.870 -0.550 0.000 1.065 1138 L CA 0.214 54.730 54.840 -0.539 0.000 0.842 1138 L CB 0.059 41.513 42.059 -1.008 0.000 1.033 1138 L HN 0.334 nan 8.230 nan 0.000 0.474 1139 Y N 1.732 121.744 120.300 -0.480 0.000 2.667 1139 Y HA 0.443 4.993 4.550 0.000 0.000 0.340 1139 Y C 0.043 175.367 175.900 -0.961 0.000 1.303 1139 Y CA -0.680 56.761 58.100 -1.098 0.000 1.769 1139 Y CB -0.427 37.749 38.460 -0.472 0.000 1.804 1139 Y HN 0.010 nan 8.280 nan 0.000 0.451 1140 I N -0.425 119.691 120.570 -0.757 0.000 3.006 1140 I HA 0.798 4.969 4.170 0.001 0.000 0.306 1140 I C 0.220 176.163 176.117 -0.291 0.000 1.250 1140 I CA -0.246 60.763 61.300 -0.485 0.000 0.996 1140 I CB 2.161 39.783 38.000 -0.629 0.000 1.261 1140 I HN 0.502 nan 8.210 nan 0.000 0.442 1141 G N 4.201 112.823 108.800 -0.297 0.000 2.728 1141 G HA2 -0.110 3.851 3.960 0.001 0.000 0.294 1141 G HA3 -0.110 3.851 3.960 0.001 0.000 0.294 1141 G C -0.953 174.055 174.900 0.179 0.000 1.342 1141 G CA -0.674 44.457 45.100 0.053 0.000 0.866 1141 G HN 0.688 nan 8.290 nan 0.000 0.534 1142 E N 0.575 120.814 120.200 0.066 0.000 2.404 1142 E HA 0.262 4.613 4.350 0.001 0.000 0.261 1142 E C 0.414 176.920 176.600 -0.158 0.000 1.074 1142 E CA 0.252 56.553 56.400 -0.165 0.000 0.917 1142 E CB 0.498 29.787 29.700 -0.684 0.000 0.965 1142 E HN 0.484 nan 8.360 nan 0.000 0.433 1143 K N 2.301 122.598 120.400 -0.172 0.000 2.268 1143 K HA 0.286 4.606 4.320 0.001 0.000 0.276 1143 K C -0.449 176.085 176.600 -0.109 0.000 1.080 1143 K CA -0.250 55.922 56.287 -0.192 0.000 0.910 1143 K CB 0.379 32.807 32.500 -0.120 0.000 1.163 1143 K HN 0.209 nan 8.250 nan 0.000 0.465 1144 F N 2.366 122.373 119.950 0.095 0.000 2.368 1144 F HA 0.517 5.044 4.527 0.000 0.000 0.315 1144 F C 0.434 176.299 175.800 0.109 0.000 1.145 1144 F CA -0.914 57.179 58.000 0.154 0.000 1.095 1144 F CB 0.786 39.927 39.000 0.236 0.000 1.286 1144 F HN 0.331 nan 8.300 nan 0.000 0.530 1145 I N 1.898 122.615 120.570 0.246 0.000 2.627 1145 I HA 0.362 4.533 4.170 0.001 0.000 0.288 1145 I C -1.441 174.746 176.117 0.116 0.000 1.202 1145 I CA -0.414 60.953 61.300 0.113 0.000 1.050 1145 I CB 1.109 39.120 38.000 0.018 0.000 1.264 1145 I HN 0.386 nan 8.210 nan 0.000 0.429 1146 I N 7.116 127.743 120.570 0.095 0.000 2.395 1146 I HA 0.398 4.568 4.170 0.001 0.000 0.289 1146 I C -0.100 176.150 176.117 0.221 0.000 1.023 1146 I CA -0.579 60.772 61.300 0.085 0.000 1.350 1146 I CB 0.559 38.490 38.000 -0.114 0.000 1.409 1146 I HN 0.380 nan 8.210 nan 0.000 0.507 1147 R N 5.370 126.028 120.500 0.262 0.000 2.637 1147 R HA 0.445 4.785 4.340 0.001 0.000 0.291 1147 R C -0.385 176.047 176.300 0.221 0.000 0.963 1147 R CA -0.979 55.281 56.100 0.267 0.000 0.901 1147 R CB 1.756 32.207 30.300 0.252 0.000 1.160 1147 R HN 0.608 nan 8.270 nan 0.000 0.457 1148 R N 1.775 122.229 120.500 -0.076 0.000 2.438 1148 R HA 0.020 4.360 4.340 0.001 0.000 0.287 1148 R C 0.780 176.980 176.300 -0.167 0.000 1.077 1148 R CA -0.061 55.822 56.100 -0.361 0.000 1.034 1148 R CB 0.749 30.569 30.300 -0.801 0.000 0.993 1148 R HN 0.459 nan 8.270 nan 0.000 0.459 1149 K N 2.122 122.387 120.400 -0.225 0.000 2.021 1149 K HA 0.066 4.386 4.320 0.001 0.000 0.205 1149 K C 0.108 176.642 176.600 -0.111 0.000 1.047 1149 K CA 1.190 57.296 56.287 -0.301 0.000 0.943 1149 K CB 0.023 32.296 32.500 -0.380 0.000 0.725 1149 K HN 0.533 nan 8.250 nan 0.000 0.439 1150 S N 1.771 117.419 115.700 -0.087 0.000 2.641 1150 S HA 0.049 4.519 4.470 0.001 0.000 0.261 1150 S C -1.013 173.555 174.600 -0.054 0.000 1.257 1150 S CA -0.093 58.077 58.200 -0.049 0.000 0.983 1150 S CB 0.020 63.205 63.200 -0.026 0.000 0.990 1150 S HN 0.631 nan 8.310 nan 0.000 0.572 1151 N N 0.760 119.441 118.700 -0.032 0.000 2.696 1151 N HA -0.195 4.545 4.740 0.001 0.000 0.306 1151 N C -0.210 175.280 175.510 -0.034 0.000 1.240 1151 N CA 0.764 53.796 53.050 -0.029 0.000 0.704 1151 N CB -0.730 37.737 38.487 -0.034 0.000 1.027 1151 N HN 0.642 nan 8.380 nan 0.000 0.544 1152 S N -0.768 114.926 115.700 -0.011 0.000 3.227 1152 S HA 0.157 4.627 4.470 0.001 0.000 0.249 1152 S C 1.374 175.969 174.600 -0.010 0.000 1.322 1152 S CA 0.306 58.504 58.200 -0.004 0.000 1.253 1152 S CB 0.029 63.239 63.200 0.015 0.000 1.076 1152 S HN 0.908 nan 8.310 nan 0.000 0.471 1153 Q N 0.675 120.461 119.800 -0.024 0.000 2.294 1153 Q HA 0.477 4.818 4.340 0.001 0.000 0.222 1153 Q C 0.729 176.719 176.000 -0.017 0.000 0.903 1153 Q CA 0.378 56.169 55.803 -0.019 0.000 0.966 1153 Q CB -1.476 27.246 28.738 -0.026 0.000 1.091 1153 Q HN 0.816 nan 8.270 nan 0.000 0.438 1154 S N -1.275 114.419 115.700 -0.010 0.000 3.914 1154 S HA -0.163 4.307 4.470 0.001 0.000 0.638 1154 S C 0.186 174.781 174.600 -0.007 0.000 1.812 1154 S CA 0.213 58.411 58.200 -0.003 0.000 1.988 1154 S CB -1.185 62.015 63.200 -0.000 0.000 0.329 1154 S HN 1.636 nan 8.310 nan 0.000 1.785 1155 I N -2.022 118.550 120.570 0.004 0.000 2.796 1155 I HA 0.691 4.862 4.170 0.001 0.000 0.279 1155 I C 0.217 176.345 176.117 0.018 0.000 1.289 1155 I CA -0.117 61.189 61.300 0.011 0.000 1.021 1155 I CB 0.269 38.286 38.000 0.029 0.000 1.414 1155 I HN 0.664 nan 8.210 nan 0.000 0.562 1156 N N 3.667 122.374 118.700 0.011 0.000 2.622 1156 N HA 0.255 4.995 4.740 0.001 0.000 0.213 1156 N C 0.330 175.853 175.510 0.021 0.000 1.037 1156 N CA 0.791 53.849 53.050 0.013 0.000 0.999 1156 N CB 0.251 38.742 38.487 0.006 0.000 1.342 1156 N HN 0.673 nan 8.380 nan 0.000 0.465 1157 D N -2.421 117.995 120.400 0.028 0.000 2.926 1157 D HA 0.440 5.080 4.640 0.001 0.000 0.272 1157 D C -2.253 174.085 176.300 0.064 0.000 1.172 1157 D CA -0.305 53.724 54.000 0.049 0.000 0.731 1157 D CB 2.261 43.071 40.800 0.017 0.000 1.282 1157 D HN 0.342 nan 8.370 nan 0.000 0.430 1158 D N -0.534 119.934 120.400 0.114 0.000 2.926 1158 D HA 0.274 4.914 4.640 0.001 0.000 0.321 1158 D C -1.284 175.117 176.300 0.169 0.000 1.325 1158 D CA -0.420 53.656 54.000 0.127 0.000 0.735 1158 D CB 0.746 41.619 40.800 0.120 0.000 1.291 1158 D HN 0.264 nan 8.370 nan 0.000 0.445 1159 I N 1.115 121.755 120.570 0.117 0.000 2.353 1159 I HA 0.338 4.509 4.170 0.001 0.000 0.293 1159 I C 0.204 176.336 176.117 0.026 0.000 0.992 1159 I CA -0.959 60.332 61.300 -0.015 0.000 1.268 1159 I CB 1.554 39.483 38.000 -0.117 0.000 1.387 1159 I HN 0.060 nan 8.210 nan 0.000 0.478 1160 V N 7.004 126.740 119.914 -0.298 0.000 2.455 1160 V HA 0.282 4.402 4.120 0.001 0.000 0.273 1160 V C 0.428 176.454 176.094 -0.113 0.000 1.045 1160 V CA -0.596 61.448 62.300 -0.427 0.000 0.976 1160 V CB 0.320 31.716 31.823 -0.712 0.000 0.993 1160 V HN 0.612 nan 8.190 nan 0.000 0.475 1161 R N 3.491 123.985 120.500 -0.009 0.000 2.598 1161 R HA 0.477 4.818 4.340 0.001 0.000 0.279 1161 R C -0.129 176.124 176.300 -0.079 0.000 0.984 1161 R CA -0.959 55.136 56.100 -0.008 0.000 0.999 1161 R CB 1.217 31.531 30.300 0.022 0.000 1.114 1161 R HN 0.608 nan 8.270 nan 0.000 0.493 1162 K N 2.142 122.474 120.400 -0.112 0.000 2.485 1162 K HA -0.065 4.255 4.320 0.001 0.000 0.277 1162 K C 0.199 176.697 176.600 -0.170 0.000 0.990 1162 K CA 0.327 56.519 56.287 -0.159 0.000 0.994 1162 K CB 0.315 32.709 32.500 -0.175 0.000 0.906 1162 K HN 0.496 nan 8.250 nan 0.000 0.488 1163 E N -0.378 119.682 120.200 -0.233 0.000 4.129 1163 E HA -0.183 4.168 4.350 0.001 0.000 0.354 1163 E C -0.732 175.623 176.600 -0.408 0.000 0.673 1163 E CA 0.962 57.178 56.400 -0.305 0.000 1.347 1163 E CB -1.217 28.355 29.700 -0.213 0.000 1.722 1163 E HN 0.707 nan 8.360 nan 0.000 0.410 1164 D N 0.128 120.371 120.400 -0.261 0.000 2.443 1164 D HA 0.136 4.777 4.640 0.001 0.000 0.239 1164 D C 0.129 176.243 176.300 -0.310 0.000 1.136 1164 D CA 0.424 54.315 54.000 -0.182 0.000 0.879 1164 D CB 0.150 40.965 40.800 0.026 0.000 1.195 1164 D HN 0.006 nan 8.370 nan 0.000 0.443 1165 Y N 1.500 121.770 120.300 -0.051 0.000 2.320 1165 Y HA 0.355 4.905 4.550 0.001 0.000 0.334 1165 Y C 0.842 176.657 175.900 -0.142 0.000 1.055 1165 Y CA -0.571 57.462 58.100 -0.112 0.000 1.143 1165 Y CB 0.720 39.102 38.460 -0.131 0.000 1.193 1165 Y HN 0.194 nan 8.280 nan 0.000 0.477 1166 I N -1.001 119.542 120.570 -0.044 0.000 3.343 1166 I HA 0.607 4.777 4.170 0.001 0.000 0.315 1166 I C -1.927 174.078 176.117 -0.187 0.000 1.153 1166 I CA -1.421 59.833 61.300 -0.077 0.000 0.952 1166 I CB 2.827 40.859 38.000 0.053 0.000 1.287 1166 I HN 0.408 nan 8.210 nan 0.000 0.472 1167 Y N 1.841 122.180 120.300 0.065 0.000 2.331 1167 Y HA 0.536 5.086 4.550 0.001 0.000 0.334 1167 Y C -0.704 175.217 175.900 0.035 0.000 0.960 1167 Y CA -0.971 57.148 58.100 0.031 0.000 1.130 1167 Y CB 2.262 40.740 38.460 0.030 0.000 1.164 1167 Y HN 0.381 nan 8.280 nan 0.000 0.458 1168 L N 5.348 126.684 121.223 0.190 0.000 2.259 1168 L HA 0.448 4.788 4.340 0.001 0.000 0.288 1168 L C -1.020 176.006 176.870 0.260 0.000 1.051 1168 L CA 0.016 54.973 54.840 0.196 0.000 0.824 1168 L CB -0.285 41.866 42.059 0.153 0.000 1.206 1168 L HN 0.547 nan 8.230 nan 0.000 0.429 1169 D N 4.038 124.584 120.400 0.242 0.000 2.449 1169 D HA 0.679 5.319 4.640 0.001 0.000 0.250 1169 D C -0.743 175.696 176.300 0.231 0.000 1.050 1169 D CA 0.181 54.280 54.000 0.166 0.000 1.024 1169 D CB 1.605 42.356 40.800 -0.082 0.000 1.218 1169 D HN 0.319 nan 8.370 nan 0.000 0.566 1170 F N -1.815 117.973 119.950 -0.271 0.000 2.711 1170 F HA 0.660 5.187 4.527 0.000 0.000 0.313 1170 F C -1.872 173.566 175.800 -0.604 0.000 1.141 1170 F CA -1.420 56.265 58.000 -0.526 0.000 0.941 1170 F CB 0.680 39.194 39.000 -0.811 0.000 1.349 1170 F HN 0.038 nan 8.300 nan 0.000 0.464 1171 F N 2.061 121.849 119.950 -0.271 0.000 2.385 1171 F HA 0.406 4.933 4.527 0.000 0.000 0.360 1171 F C 0.084 175.636 175.800 -0.413 0.000 1.122 1171 F CA -0.609 57.174 58.000 -0.361 0.000 1.090 1171 F CB 1.191 40.070 39.000 -0.202 0.000 1.150 1171 F HN 0.538 nan 8.300 nan 0.000 0.472 1172 N N 5.714 124.098 118.700 -0.528 0.000 2.699 1172 N HA 0.518 5.259 4.740 0.001 0.000 0.232 1172 N C 0.105 175.398 175.510 -0.361 0.000 1.027 1172 N CA 0.084 52.767 53.050 -0.611 0.000 0.920 1172 N CB 0.083 37.676 38.487 -1.488 0.000 1.148 1172 N HN 0.738 nan 8.380 nan 0.000 0.509 1173 L N 0.899 122.016 121.223 -0.177 0.000 6.783 1173 L HA -0.438 3.902 4.340 0.001 0.000 0.053 1173 L C 0.962 177.785 176.870 -0.079 0.000 2.106 1173 L CA 1.258 56.030 54.840 -0.113 0.000 1.534 1173 L CB -1.032 40.959 42.059 -0.112 0.000 2.866 1173 L HN 0.474 nan 8.230 nan 0.000 1.099 1174 N N 0.283 118.948 118.700 -0.057 0.000 2.398 1174 N HA 0.056 4.796 4.740 0.001 0.000 0.188 1174 N C -0.140 175.389 175.510 0.032 0.000 1.122 1174 N CA 0.519 53.552 53.050 -0.029 0.000 0.866 1174 N CB 0.263 38.737 38.487 -0.022 0.000 0.970 1174 N HN 0.300 nan 8.380 nan 0.000 0.462 1175 Q N -0.116 119.703 119.800 0.030 0.000 2.301 1175 Q HA 0.247 4.588 4.340 0.001 0.000 0.267 1175 Q C -1.025 175.023 176.000 0.081 0.000 1.035 1175 Q CA -0.691 55.169 55.803 0.095 0.000 0.856 1175 Q CB 1.961 30.809 28.738 0.182 0.000 1.337 1175 Q HN 0.186 nan 8.270 nan 0.000 0.450 1176 E N 1.696 121.948 120.200 0.087 0.000 2.073 1176 E HA 0.157 4.508 4.350 0.001 0.000 0.269 1176 E C -1.203 175.358 176.600 -0.065 0.000 0.917 1176 E CA -0.449 55.850 56.400 -0.169 0.000 0.757 1176 E CB 0.625 30.218 29.700 -0.179 0.000 1.111 1176 E HN 0.365 nan 8.360 nan 0.000 0.410 1177 W N 2.661 123.551 121.300 -0.684 0.000 2.225 1177 W HA 0.472 5.132 4.660 0.000 0.000 0.377 1177 W C 0.486 176.763 176.519 -0.403 0.000 1.418 1177 W CA -0.759 56.233 57.345 -0.589 0.000 1.562 1177 W CB 0.558 29.474 29.460 -0.907 0.000 1.297 1177 W HN 0.455 nan 8.180 nan 0.000 0.686 1178 R N -0.198 120.323 120.500 0.034 0.000 2.808 1178 R HA 0.663 5.003 4.340 0.001 0.000 0.272 1178 R C -1.869 174.378 176.300 -0.089 0.000 0.995 1178 R CA -0.662 55.368 56.100 -0.117 0.000 0.917 1178 R CB 1.736 31.734 30.300 -0.504 0.000 1.217 1178 R HN 0.211 nan 8.270 nan 0.000 0.471 1179 V N 3.736 123.611 119.914 -0.065 0.000 2.383 1179 V HA 0.421 4.541 4.120 0.001 0.000 0.275 1179 V C -1.061 175.053 176.094 0.033 0.000 1.036 1179 V CA -0.266 62.106 62.300 0.119 0.000 0.889 1179 V CB 0.642 32.641 31.823 0.292 0.000 0.985 1179 V HN 0.596 nan 8.190 nan 0.000 0.459 1180 Y N 1.573 122.057 120.300 0.306 0.000 2.602 1180 Y HA 0.660 5.211 4.550 0.001 0.000 0.342 1180 Y C 0.474 176.450 175.900 0.127 0.000 1.029 1180 Y CA -0.978 57.297 58.100 0.291 0.000 1.080 1180 Y CB 2.252 40.818 38.460 0.177 0.000 1.284 1180 Y HN 0.419 nan 8.280 nan 0.000 0.485 1181 T N 1.491 116.123 114.554 0.131 0.000 2.809 1181 T HA 0.159 4.510 4.350 0.001 0.000 0.284 1181 T C -1.340 173.466 174.700 0.177 0.000 0.992 1181 T CA -0.604 61.429 62.100 -0.112 0.000 0.957 1181 T CB 0.050 68.478 68.868 -0.734 0.000 0.942 1181 T HN 0.429 nan 8.240 nan 0.000 0.439 1182 Y N 3.797 124.167 120.300 0.118 0.000 2.721 1182 Y HA 0.060 4.610 4.550 0.001 0.000 0.329 1182 Y C 1.387 177.089 175.900 -0.329 0.000 1.211 1182 Y CA -0.266 57.701 58.100 -0.221 0.000 1.512 1182 Y CB 0.488 38.844 38.460 -0.173 0.000 1.249 1182 Y HN 0.621 nan 8.280 nan 0.000 0.549 1183 K N 4.163 123.808 120.400 -1.259 0.000 2.097 1183 K HA -0.183 4.137 4.320 0.001 0.000 0.206 1183 K C -0.058 175.832 176.600 -1.184 0.000 1.049 1183 K CA 1.628 57.046 56.287 -1.448 0.000 0.933 1183 K CB -0.169 31.104 32.500 -2.046 0.000 0.717 1183 K HN 0.654 nan 8.250 nan 0.000 0.442 1184 Y N 0.964 120.564 120.300 -1.167 0.000 2.897 1184 Y HA 0.162 4.713 4.550 0.001 0.000 0.372 1184 Y C -0.131 175.686 175.900 -0.139 0.000 1.034 1184 Y CA -1.563 56.185 58.100 -0.587 0.000 1.627 1184 Y CB -0.949 37.223 38.460 -0.481 0.000 1.474 1184 Y HN -0.052 nan 8.280 nan 0.000 0.517 1185 F N -1.133 118.762 119.950 -0.092 0.000 2.385 1185 F HA 0.569 5.097 4.527 0.000 0.000 0.336 1185 F C 0.561 176.404 175.800 0.072 0.000 1.100 1185 F CA -1.645 56.418 58.000 0.105 0.000 1.116 1185 F CB 1.104 40.186 39.000 0.136 0.000 1.166 1185 F HN -0.110 nan 8.300 nan 0.000 0.511 1186 K N 1.596 121.998 120.400 0.003 0.000 2.367 1186 K HA 0.164 4.484 4.320 0.001 0.000 0.195 1186 K C 0.345 176.901 176.600 -0.074 0.000 1.060 1186 K CA -0.085 56.134 56.287 -0.112 0.000 1.022 1186 K CB 0.287 32.779 32.500 -0.013 0.000 0.894 1186 K HN 0.588 nan 8.250 nan 0.000 0.540 1187 K N 1.131 121.585 120.400 0.090 0.000 2.143 1187 K HA -0.033 4.287 4.320 0.001 0.000 0.239 1187 K C 0.990 177.673 176.600 0.139 0.000 1.048 1187 K CA -0.020 56.343 56.287 0.127 0.000 0.867 1187 K CB 0.408 33.020 32.500 0.186 0.000 1.088 1187 K HN -0.162 nan 8.250 nan 0.000 0.510 1188 E N 0.951 121.214 120.200 0.105 0.000 2.204 1188 E HA -0.134 4.216 4.350 0.001 0.000 0.194 1188 E C -0.113 176.611 176.600 0.208 0.000 0.989 1188 E CA 1.212 57.676 56.400 0.106 0.000 0.824 1188 E CB 0.313 30.029 29.700 0.026 0.000 0.756 1188 E HN 0.507 nan 8.360 nan 0.000 0.477 1189 E N -0.586 119.719 120.200 0.176 0.000 2.454 1189 E HA 0.312 4.662 4.350 0.001 0.000 0.279 1189 E C -0.758 175.873 176.600 0.052 0.000 1.029 1189 E CA -0.822 55.640 56.400 0.104 0.000 0.831 1189 E CB 0.952 30.543 29.700 -0.182 0.000 1.405 1189 E HN 0.148 nan 8.360 nan 0.000 0.463 1190 E N 0.006 120.148 120.200 -0.096 0.000 2.437 1190 E HA 0.478 4.828 4.350 0.001 0.000 0.280 1190 E C -1.217 175.415 176.600 0.054 0.000 1.044 1190 E CA -1.015 55.365 56.400 -0.034 0.000 0.826 1190 E CB 1.575 31.094 29.700 -0.302 0.000 1.358 1190 E HN 0.319 nan 8.360 nan 0.000 0.459 1191 K N 1.246 121.706 120.400 0.099 0.000 2.270 1191 K HA 0.322 4.642 4.320 0.001 0.000 0.276 1191 K C -0.114 176.535 176.600 0.081 0.000 1.023 1191 K CA -0.437 55.913 56.287 0.104 0.000 0.955 1191 K CB 0.730 33.199 32.500 -0.053 0.000 0.975 1191 K HN 0.315 nan 8.250 nan 0.000 0.471 1192 L N 2.567 123.846 121.223 0.094 0.000 2.452 1192 L HA 0.192 4.532 4.340 0.001 0.000 0.267 1192 L C -0.001 177.012 176.870 0.237 0.000 1.188 1192 L CA -0.337 54.553 54.840 0.084 0.000 0.821 1192 L CB 0.135 42.143 42.059 -0.085 0.000 1.102 1192 L HN 0.486 nan 8.230 nan 0.000 0.470 1193 F N 3.534 123.553 119.950 0.115 0.000 2.385 1193 F HA 0.436 4.964 4.527 0.000 0.000 0.360 1193 F C -0.607 175.318 175.800 0.208 0.000 1.122 1193 F CA -0.601 57.459 58.000 0.099 0.000 1.090 1193 F CB 0.574 39.529 39.000 -0.074 0.000 1.150 1193 F HN 0.118 nan 8.300 nan 0.000 0.472 1194 L N 7.316 128.390 121.223 -0.248 0.000 2.276 1194 L HA 0.808 5.148 4.340 0.001 0.000 0.286 1194 L C -0.229 176.518 176.870 -0.206 0.000 1.024 1194 L CA -0.536 54.335 54.840 0.051 0.000 0.826 1194 L CB 0.631 42.865 42.059 0.292 0.000 1.211 1194 L HN 0.818 nan 8.230 nan 0.000 0.422 1195 A N 5.154 127.857 122.820 -0.195 0.000 2.568 1195 A HA 0.887 5.207 4.320 0.001 0.000 0.291 1195 A C -2.891 174.184 177.584 -0.849 0.000 1.159 1195 A CA -1.427 50.138 52.037 -0.787 0.000 0.679 1195 A CB 1.578 20.083 19.000 -0.825 0.000 1.285 1195 A HN 0.381 nan 8.150 nan 0.000 0.428 1196 P HA 0.222 nan 4.420 nan 0.000 0.269 1196 P C -0.559 176.576 177.300 -0.274 0.000 1.217 1196 P CA 0.122 62.656 63.100 -0.945 0.000 0.783 1196 P CB 0.212 31.495 31.700 -0.694 0.000 0.898 1197 I N 1.415 121.902 120.570 -0.138 0.000 2.581 1197 I HA 0.081 4.251 4.170 0.001 0.000 0.285 1197 I C 0.680 176.796 176.117 -0.001 0.000 1.129 1197 I CA 1.135 62.429 61.300 -0.011 0.000 1.397 1197 I CB -0.394 37.565 38.000 -0.069 0.000 1.399 1197 I HN 0.401 nan 8.210 nan 0.000 0.537 1198 S N 4.058 119.806 115.700 0.081 0.000 2.565 1198 S HA 0.277 4.747 4.470 0.001 0.000 0.269 1198 S C -1.070 173.557 174.600 0.045 0.000 1.153 1198 S CA -1.067 57.137 58.200 0.007 0.000 0.835 1198 S CB 2.273 65.434 63.200 -0.065 0.000 1.122 1198 S HN 0.572 nan 8.310 nan 0.000 0.462 1199 D N 1.842 122.263 120.400 0.035 0.000 2.540 1199 D HA 0.334 4.974 4.640 0.001 0.000 0.251 1199 D C -0.366 175.965 176.300 0.052 0.000 1.159 1199 D CA 0.052 54.095 54.000 0.071 0.000 0.974 1199 D CB 0.912 41.754 40.800 0.070 0.000 0.996 1199 D HN 0.503 nan 8.370 nan 0.000 0.512 1200 S N 1.896 117.622 115.700 0.043 0.000 2.586 1200 S HA 0.058 4.529 4.470 0.001 0.000 0.274 1200 S C 1.058 175.692 174.600 0.057 0.000 1.281 1200 S CA -0.484 57.751 58.200 0.058 0.000 1.035 1200 S CB 1.673 64.951 63.200 0.130 0.000 0.962 1200 S HN 0.351 nan 8.310 nan 0.000 0.512 1201 D N 2.431 122.843 120.400 0.020 0.000 2.269 1201 D HA -0.033 4.608 4.640 0.001 0.000 0.208 1201 D C 1.197 177.441 176.300 -0.094 0.000 0.963 1201 D CA 1.152 55.148 54.000 -0.006 0.000 0.864 1201 D CB 0.173 40.980 40.800 0.011 0.000 0.936 1201 D HN 0.745 nan 8.370 nan 0.000 0.505 1202 E N -1.354 118.743 120.200 -0.171 0.000 2.479 1202 E HA 0.113 4.463 4.350 0.001 0.000 0.193 1202 E C -0.513 175.547 176.600 -0.900 0.000 1.049 1202 E CA -0.072 56.057 56.400 -0.451 0.000 0.870 1202 E CB 0.408 29.876 29.700 -0.386 0.000 0.944 1202 E HN 0.229 nan 8.360 nan 0.000 0.492 1203 F N -0.288 119.483 119.950 -0.299 0.000 2.556 1203 F HA 0.320 4.847 4.527 0.001 0.000 0.314 1203 F C -0.434 175.283 175.800 -0.137 0.000 1.106 1203 F CA -1.268 56.572 58.000 -0.267 0.000 0.911 1203 F CB 0.972 39.863 39.000 -0.181 0.000 1.190 1203 F HN -0.158 nan 8.300 nan 0.000 0.448 1204 Y N 1.773 122.220 120.300 0.245 0.000 2.319 1204 Y HA 0.185 4.735 4.550 0.001 0.000 0.328 1204 Y C 1.006 177.269 175.900 0.605 0.000 1.133 1204 Y CA -0.687 57.605 58.100 0.320 0.000 1.265 1204 Y CB 0.686 39.289 38.460 0.238 0.000 1.218 1204 Y HN 0.583 nan 8.280 nan 0.000 0.508 1205 N N -1.762 117.402 118.700 0.773 0.000 2.166 1205 N HA 0.084 4.825 4.740 0.001 0.000 0.213 1205 N C -0.494 175.372 175.510 0.594 0.000 1.222 1205 N CA -0.102 53.381 53.050 0.721 0.000 0.900 1205 N CB 0.396 39.278 38.487 0.658 0.000 1.055 1205 N HN 0.309 nan 8.380 nan 0.000 0.515 1206 T N 1.360 116.203 114.554 0.482 0.000 2.795 1206 T HA 0.518 4.868 4.350 0.001 0.000 0.282 1206 T C -0.305 174.362 174.700 -0.055 0.000 0.980 1206 T CA -0.382 61.827 62.100 0.182 0.000 1.012 1206 T CB 1.241 70.177 68.868 0.114 0.000 0.936 1206 T HN 0.067 nan 8.240 nan 0.000 0.457 1207 I N 2.527 122.986 120.570 -0.185 0.000 2.530 1207 I HA 0.394 4.564 4.170 0.001 0.000 0.297 1207 I C 0.017 176.054 176.117 -0.134 0.000 1.011 1207 I CA -0.870 60.217 61.300 -0.356 0.000 1.107 1207 I CB 2.242 39.972 38.000 -0.450 0.000 1.285 1207 I HN 0.433 nan 8.210 nan 0.000 0.436 1208 Q N 6.113 125.818 119.800 -0.159 0.000 2.368 1208 Q HA 0.456 4.796 4.340 0.001 0.000 0.263 1208 Q C -0.955 174.903 176.000 -0.237 0.000 1.009 1208 Q CA -0.695 54.930 55.803 -0.297 0.000 0.818 1208 Q CB 1.866 30.373 28.738 -0.384 0.000 1.239 1208 Q HN 0.648 nan 8.270 nan 0.000 0.464 1209 I N 4.358 124.790 120.570 -0.230 0.000 2.556 1209 I HA 0.116 4.286 4.170 0.001 0.000 0.284 1209 I C -0.702 175.288 176.117 -0.210 0.000 1.114 1209 I CA 0.182 61.381 61.300 -0.168 0.000 1.418 1209 I CB 0.164 38.072 38.000 -0.152 0.000 1.394 1209 I HN 0.552 nan 8.210 nan 0.000 0.552 1210 K N 5.580 125.861 120.400 -0.198 0.000 2.346 1210 K HA 0.518 4.838 4.320 0.001 0.000 0.238 1210 K C -1.166 175.240 176.600 -0.324 0.000 1.039 1210 K CA -0.844 55.231 56.287 -0.353 0.000 0.861 1210 K CB 1.551 33.699 32.500 -0.586 0.000 1.278 1210 K HN 0.382 nan 8.250 nan 0.000 0.460 1211 E N 0.637 120.559 120.200 -0.463 0.000 2.642 1211 E HA 0.217 4.567 4.350 0.001 0.000 0.284 1211 E C -1.016 175.347 176.600 -0.395 0.000 1.039 1211 E CA -0.050 56.152 56.400 -0.330 0.000 0.777 1211 E CB -0.008 29.551 29.700 -0.234 0.000 1.473 1211 E HN 0.495 nan 8.360 nan 0.000 0.388 1212 Y N 0.662 120.830 120.300 -0.220 0.000 2.517 1212 Y HA 0.181 4.732 4.550 0.001 0.000 0.281 1212 Y C 0.872 176.482 175.900 -0.484 0.000 1.125 1212 Y CA 0.131 58.095 58.100 -0.227 0.000 1.283 1212 Y CB 0.415 38.860 38.460 -0.024 0.000 1.042 1212 Y HN 0.378 nan 8.280 nan 0.000 0.547 1213 D N 1.033 121.016 120.400 -0.694 0.000 2.351 1213 D HA 0.006 4.646 4.640 0.001 0.000 0.251 1213 D C 0.492 176.639 176.300 -0.256 0.000 1.137 1213 D CA 0.269 53.831 54.000 -0.730 0.000 0.879 1213 D CB 0.989 41.354 40.800 -0.725 0.000 1.181 1213 D HN 0.390 nan 8.370 nan 0.000 0.448 1214 E N 1.644 121.774 120.200 -0.117 0.000 2.400 1214 E HA -0.007 4.343 4.350 0.001 0.000 0.195 1214 E C 0.229 176.814 176.600 -0.026 0.000 1.012 1214 E CA -0.025 56.349 56.400 -0.045 0.000 0.875 1214 E CB 0.444 30.141 29.700 -0.005 0.000 0.859 1214 E HN 0.454 nan 8.360 nan 0.000 0.498 1215 Q N 0.936 120.724 119.800 -0.021 0.000 2.205 1215 Q HA 0.311 4.651 4.340 0.001 0.000 0.249 1215 Q C -2.391 173.594 176.000 -0.024 0.000 0.948 1215 Q CA -2.556 53.252 55.803 0.007 0.000 0.895 1215 Q CB 0.184 28.958 28.738 0.061 0.000 1.249 1215 Q HN -0.088 nan 8.270 nan 0.000 0.458 1216 P HA 0.043 nan 4.420 nan 0.000 0.264 1216 P C -0.533 176.733 177.300 -0.057 0.000 1.183 1216 P CA 0.585 63.632 63.100 -0.088 0.000 0.763 1216 P CB 0.557 32.111 31.700 -0.244 0.000 0.807 1217 T N 2.183 116.685 114.554 -0.087 0.000 2.893 1217 T HA 0.329 4.680 4.350 0.001 0.000 0.337 1217 T C -0.755 173.955 174.700 0.016 0.000 1.587 1217 T CA -0.315 61.717 62.100 -0.112 0.000 1.066 1217 T CB 0.321 69.167 68.868 -0.036 0.000 1.414 1217 T HN 0.049 nan 8.240 nan 0.000 0.488 1218 Y N 1.019 121.320 120.300 0.002 0.000 2.458 1218 Y HA 0.468 5.018 4.550 0.000 0.000 0.256 1218 Y C 1.571 177.485 175.900 0.023 0.000 1.159 1218 Y CA -0.699 57.395 58.100 -0.010 0.000 1.261 1218 Y CB 0.026 38.451 38.460 -0.058 0.000 1.119 1218 Y HN 0.369 nan 8.280 nan 0.000 0.524 1219 S N 0.527 116.326 115.700 0.164 0.000 2.601 1219 S HA 0.483 4.953 4.470 0.001 0.000 0.271 1219 S C 0.162 174.833 174.600 0.119 0.000 1.305 1219 S CA -0.459 57.834 58.200 0.156 0.000 1.022 1219 S CB 0.859 64.144 63.200 0.142 0.000 0.940 1219 S HN 0.430 nan 8.310 nan 0.000 0.525 1220 C N 1.810 121.201 119.300 0.153 0.000 3.236 1220 C HA 0.871 5.331 4.460 0.001 0.000 0.312 1220 C C -1.370 173.735 174.990 0.192 0.000 1.374 1220 C CA -1.007 58.083 59.018 0.120 0.000 1.455 1220 C CB 0.699 28.513 27.740 0.124 0.000 1.834 1220 C HN 0.705 nan 8.230 nan 0.000 0.460 1221 Q N 0.333 120.227 119.800 0.156 0.000 2.399 1221 Q HA 0.859 5.199 4.340 0.001 0.000 0.276 1221 Q C -1.313 174.782 176.000 0.157 0.000 1.098 1221 Q CA -0.402 55.545 55.803 0.242 0.000 0.827 1221 Q CB 1.791 30.750 28.738 0.368 0.000 1.386 1221 Q HN 0.743 nan 8.270 nan 0.000 0.443 1222 L N 1.681 123.006 121.223 0.170 0.000 2.343 1222 L HA 0.559 4.899 4.340 0.001 0.000 0.278 1222 L C -1.338 175.570 176.870 0.064 0.000 0.996 1222 L CA -0.844 54.023 54.840 0.045 0.000 0.831 1222 L CB 1.345 43.388 42.059 -0.028 0.000 1.232 1222 L HN 0.381 nan 8.230 nan 0.000 0.413 1223 L N 3.081 124.310 121.223 0.010 0.000 2.307 1223 L HA 0.595 4.935 4.340 0.001 0.000 0.284 1223 L C -1.261 175.596 176.870 -0.022 0.000 1.023 1223 L CA 0.169 55.056 54.840 0.078 0.000 0.810 1223 L CB 1.232 43.368 42.059 0.128 0.000 1.231 1223 L HN 0.257 nan 8.230 nan 0.000 0.423 1224 F N 4.813 124.817 119.950 0.090 0.000 2.404 1224 F HA 0.513 5.041 4.527 0.001 0.000 0.354 1224 F C 0.341 176.114 175.800 -0.045 0.000 1.122 1224 F CA -0.278 57.746 58.000 0.040 0.000 1.080 1224 F CB 1.133 40.170 39.000 0.063 0.000 1.131 1224 F HN 0.393 nan 8.300 nan 0.000 0.471 1225 K N 2.702 123.155 120.400 0.088 0.000 2.295 1225 K HA 0.286 4.607 4.320 0.001 0.000 0.239 1225 K C 0.721 177.180 176.600 -0.236 0.000 0.991 1225 K CA -1.038 55.234 56.287 -0.025 0.000 0.845 1225 K CB 2.371 34.913 32.500 0.070 0.000 1.197 1225 K HN 0.473 nan 8.250 nan 0.000 0.441 1226 K N 0.934 121.194 120.400 -0.234 0.000 2.103 1226 K HA -0.162 4.159 4.320 0.001 0.000 0.207 1226 K C -0.035 176.545 176.600 -0.033 0.000 1.048 1226 K CA 1.996 58.154 56.287 -0.216 0.000 0.930 1226 K CB 0.170 32.652 32.500 -0.029 0.000 0.716 1226 K HN 0.779 nan 8.250 nan 0.000 0.444 1227 D N -2.858 117.527 120.400 -0.025 0.000 2.742 1227 D HA -0.028 4.612 4.640 0.001 0.000 0.262 1227 D C -0.329 175.917 176.300 -0.090 0.000 1.240 1227 D CA -0.395 53.587 54.000 -0.031 0.000 0.752 1227 D CB 0.496 41.295 40.800 -0.001 0.000 1.290 1227 D HN -0.165 nan 8.370 nan 0.000 0.420 1228 E N 0.288 120.329 120.200 -0.265 0.000 2.284 1228 E HA -0.182 4.168 4.350 0.001 0.000 0.200 1228 E C 1.186 177.724 176.600 -0.104 0.000 1.008 1228 E CA 1.899 58.039 56.400 -0.433 0.000 0.829 1228 E CB 0.099 29.319 29.700 -0.799 0.000 0.744 1228 E HN 0.490 nan 8.360 nan 0.000 0.491 1229 E N -0.006 120.158 120.200 -0.060 0.000 2.132 1229 E HA 0.040 4.390 4.350 0.001 0.000 0.193 1229 E C 0.753 177.364 176.600 0.018 0.000 0.951 1229 E CA 0.414 56.810 56.400 -0.007 0.000 0.843 1229 E CB 0.105 29.798 29.700 -0.012 0.000 0.807 1229 E HN 0.150 nan 8.360 nan 0.000 0.467 1230 S N 0.991 116.700 115.700 0.014 0.000 2.576 1230 S HA -0.011 4.460 4.470 0.001 0.000 0.272 1230 S C 1.040 175.661 174.600 0.035 0.000 1.352 1230 S CA 0.231 58.445 58.200 0.023 0.000 1.021 1230 S CB 0.959 64.171 63.200 0.020 0.000 0.887 1230 S HN 0.222 nan 8.310 nan 0.000 0.542 1231 T N -2.327 112.246 114.554 0.033 0.000 3.122 1231 T HA 0.159 4.510 4.350 0.001 0.000 0.250 1231 T C 0.127 174.849 174.700 0.036 0.000 1.067 1231 T CA -0.263 61.860 62.100 0.040 0.000 0.966 1231 T CB -0.324 68.564 68.868 0.034 0.000 1.002 1231 T HN 0.661 nan 8.240 nan 0.000 0.542 1232 D N 3.018 123.433 120.400 0.027 0.000 2.383 1232 D HA 0.063 4.704 4.640 0.001 0.000 0.245 1232 D C -0.322 175.986 176.300 0.014 0.000 1.263 1232 D CA 0.023 54.033 54.000 0.018 0.000 0.936 1232 D CB 0.346 41.153 40.800 0.012 0.000 1.053 1232 D HN 0.500 nan 8.370 nan 0.000 0.507 1233 E N 4.171 124.393 120.200 0.037 0.000 2.194 1233 E HA 0.084 4.434 4.350 0.001 0.000 0.284 1233 E C 1.152 177.795 176.600 0.071 0.000 1.035 1233 E CA -0.708 55.729 56.400 0.063 0.000 0.836 1233 E CB 1.679 31.433 29.700 0.089 0.000 1.070 1233 E HN 0.429 nan 8.360 nan 0.000 0.401 1234 I N 1.805 122.422 120.570 0.078 0.000 2.406 1234 I HA 0.056 4.227 4.170 0.001 0.000 0.249 1234 I C 1.180 177.459 176.117 0.270 0.000 1.122 1234 I CA 1.029 62.415 61.300 0.143 0.000 1.431 1234 I CB -1.183 36.867 38.000 0.082 0.000 1.087 1234 I HN 0.686 nan 8.210 nan 0.000 0.424 1235 G N 0.334 109.300 108.800 0.277 0.000 2.368 1235 G HA2 0.272 4.233 3.960 0.001 0.000 0.302 1235 G HA3 0.272 4.233 3.960 0.001 0.000 0.302 1235 G C -1.505 173.609 174.900 0.357 0.000 1.329 1235 G CA -0.892 44.400 45.100 0.320 0.000 0.935 1235 G HN 0.002 nan 8.290 nan 0.000 0.590 1236 L N 0.193 121.653 121.223 0.394 0.000 2.334 1236 L HA 0.612 4.952 4.340 0.001 0.000 0.273 1236 L C 0.494 177.591 176.870 0.377 0.000 1.013 1236 L CA -1.080 53.971 54.840 0.353 0.000 0.816 1236 L CB 1.887 44.107 42.059 0.268 0.000 1.278 1236 L HN 0.463 nan 8.230 nan 0.000 0.431 1237 I N 1.270 122.017 120.570 0.295 0.000 2.496 1237 I HA 0.396 4.566 4.170 0.001 0.000 0.285 1237 I C 0.756 177.156 176.117 0.472 0.000 1.080 1237 I CA 0.402 61.870 61.300 0.280 0.000 1.404 1237 I CB 0.889 38.920 38.000 0.051 0.000 1.403 1237 I HN 0.766 nan 8.210 nan 0.000 0.539 1238 G N 6.387 115.521 108.800 0.556 0.000 2.677 1238 G HA2 0.634 4.595 3.960 0.001 0.000 0.283 1238 G HA3 0.634 4.595 3.960 0.001 0.000 0.283 1238 G C -1.326 173.979 174.900 0.674 0.000 1.221 1238 G CA -0.586 44.863 45.100 0.580 0.000 0.851 1238 G HN 0.400 nan 8.290 nan 0.000 0.504 1239 I N 0.428 121.295 120.570 0.495 0.000 2.498 1239 I HA 0.455 4.626 4.170 0.001 0.000 0.290 1239 I C -1.071 175.271 176.117 0.375 0.000 1.032 1239 I CA -0.673 60.878 61.300 0.418 0.000 1.073 1239 I CB 2.318 40.443 38.000 0.207 0.000 1.251 1239 I HN 0.592 nan 8.210 nan 0.000 0.426 1240 H N 5.344 124.592 119.070 0.295 0.000 2.637 1240 H HA 0.463 5.019 4.556 0.000 0.000 0.363 1240 H C -0.895 174.535 175.328 0.171 0.000 1.131 1240 H CA -0.697 55.423 56.048 0.121 0.000 1.183 1240 H CB 1.860 31.625 29.762 0.006 0.000 1.637 1240 H HN 0.435 nan 8.280 nan 0.000 0.531 1241 R N 4.374 124.568 120.500 -0.510 0.000 2.265 1241 R HA 0.283 4.623 4.340 0.001 0.000 0.314 1241 R C -1.272 174.935 176.300 -0.154 0.000 1.053 1241 R CA -0.287 55.718 56.100 -0.159 0.000 0.931 1241 R CB 0.233 30.400 30.300 -0.222 0.000 1.024 1241 R HN 0.395 nan 8.270 nan 0.000 0.457 1242 F N 2.876 122.979 119.950 0.255 0.000 2.538 1242 F HA 0.309 4.836 4.527 0.000 0.000 0.325 1242 F C -0.440 175.575 175.800 0.359 0.000 1.066 1242 F CA -0.845 57.336 58.000 0.301 0.000 0.946 1242 F CB 1.130 40.277 39.000 0.245 0.000 1.199 1242 F HN 0.395 nan 8.300 nan 0.000 0.473 1243 Y N 1.750 122.253 120.300 0.339 0.000 2.341 1243 Y HA 0.498 5.048 4.550 0.001 0.000 0.337 1243 Y C -0.894 175.038 175.900 0.053 0.000 1.014 1243 Y CA -0.847 57.285 58.100 0.053 0.000 1.111 1243 Y CB 0.958 39.398 38.460 -0.033 0.000 1.194 1243 Y HN 0.600 nan 8.280 nan 0.000 0.462 1244 E N 3.698 123.540 120.200 -0.597 0.000 2.218 1244 E HA 0.322 4.672 4.350 0.001 0.000 0.263 1244 E C -1.352 174.885 176.600 -0.607 0.000 0.879 1244 E CA -0.792 55.363 56.400 -0.409 0.000 0.762 1244 E CB 1.897 31.512 29.700 -0.142 0.000 1.166 1244 E HN 0.422 nan 8.360 nan 0.000 0.415 1245 S N 2.266 117.718 115.700 -0.414 0.000 2.667 1245 S HA 0.541 5.012 4.470 0.001 0.000 0.304 1245 S C -0.169 174.379 174.600 -0.086 0.000 1.135 1245 S CA -0.524 57.515 58.200 -0.267 0.000 1.125 1245 S CB 0.534 63.635 63.200 -0.166 0.000 0.996 1245 S HN 0.630 nan 8.310 nan 0.000 0.474 1246 G N 2.486 111.266 108.800 -0.034 0.000 2.531 1246 G HA2 0.442 4.402 3.960 0.001 0.000 0.313 1246 G HA3 0.442 4.402 3.960 0.001 0.000 0.313 1246 G C 1.203 176.106 174.900 0.005 0.000 1.238 1246 G CA -0.793 44.316 45.100 0.015 0.000 0.994 1246 G HN 0.808 nan 8.290 nan 0.000 0.493 1247 I N -1.595 118.980 120.570 0.009 0.000 2.423 1247 I HA -0.136 4.035 4.170 0.001 0.000 0.254 1247 I C 1.762 177.844 176.117 -0.059 0.000 1.151 1247 I CA 2.020 63.311 61.300 -0.015 0.000 1.421 1247 I CB -0.640 37.357 38.000 -0.005 0.000 1.079 1247 I HN 0.229 nan 8.210 nan 0.000 0.431 1248 V N -2.984 116.876 119.914 -0.090 0.000 3.137 1248 V HA 0.357 4.478 4.120 0.001 0.000 0.236 1248 V C 0.626 176.471 176.094 -0.415 0.000 1.260 1248 V CA -0.323 61.809 62.300 -0.280 0.000 1.244 1248 V CB -0.686 30.886 31.823 -0.417 0.000 1.016 1248 V HN 0.154 nan 8.190 nan 0.000 0.477 1249 F N 2.149 122.075 119.950 -0.040 0.000 2.408 1249 F HA 0.679 5.206 4.527 0.001 0.000 0.344 1249 F C 0.297 176.036 175.800 -0.102 0.000 1.112 1249 F CA -0.452 57.515 58.000 -0.055 0.000 1.096 1249 F CB 1.353 40.323 39.000 -0.049 0.000 1.129 1249 F HN 0.172 nan 8.300 nan 0.000 0.486 1250 E N 4.931 125.162 120.200 0.051 0.000 2.220 1250 E HA 0.434 4.785 4.350 0.001 0.000 0.256 1250 E C -1.268 175.265 176.600 -0.111 0.000 0.881 1250 E CA -0.379 55.960 56.400 -0.101 0.000 0.766 1250 E CB 1.277 30.950 29.700 -0.044 0.000 1.187 1250 E HN 0.886 nan 8.360 nan 0.000 0.419 1251 E N 2.937 122.959 120.200 -0.296 0.000 2.432 1251 E HA 0.216 4.567 4.350 0.001 0.000 0.279 1251 E C -1.573 174.854 176.600 -0.288 0.000 1.099 1251 E CA -0.867 55.420 56.400 -0.187 0.000 0.859 1251 E CB 0.600 30.298 29.700 -0.004 0.000 1.402 1251 E HN 0.302 nan 8.360 nan 0.000 0.451 1252 Y N 0.589 120.956 120.300 0.111 0.000 2.342 1252 Y HA 0.545 5.096 4.550 0.001 0.000 0.334 1252 Y C 0.061 176.030 175.900 0.116 0.000 1.067 1252 Y CA -0.396 57.800 58.100 0.161 0.000 1.128 1252 Y CB 2.003 40.558 38.460 0.158 0.000 1.200 1252 Y HN 0.453 nan 8.280 nan 0.000 0.464 1253 K N 2.121 122.722 120.400 0.335 0.000 2.468 1253 K HA 0.376 4.696 4.320 0.001 0.000 0.252 1253 K C -1.895 174.898 176.600 0.320 0.000 0.932 1253 K CA -0.755 55.663 56.287 0.218 0.000 0.794 1253 K CB 1.330 33.931 32.500 0.169 0.000 1.241 1253 K HN 0.533 nan 8.250 nan 0.000 0.428 1254 D N 1.982 122.436 120.400 0.090 0.000 2.210 1254 D HA 0.307 4.947 4.640 0.001 0.000 0.249 1254 D C -1.079 175.218 176.300 -0.006 0.000 1.062 1254 D CA 0.309 54.418 54.000 0.182 0.000 0.891 1254 D CB 0.670 41.515 40.800 0.074 0.000 1.186 1254 D HN 0.277 nan 8.370 nan 0.000 0.432 1255 Y N 0.322 120.835 120.300 0.356 0.000 2.512 1255 Y HA 0.303 4.854 4.550 0.001 0.000 0.348 1255 Y C -0.192 175.972 175.900 0.439 0.000 0.990 1255 Y CA -1.276 57.010 58.100 0.310 0.000 1.033 1255 Y CB 1.114 39.674 38.460 0.167 0.000 1.259 1255 Y HN 0.211 nan 8.280 nan 0.000 0.461 1256 F N 3.239 123.392 119.950 0.338 0.000 2.538 1256 F HA 0.270 4.797 4.527 0.000 0.000 0.382 1256 F C -0.201 175.804 175.800 0.340 0.000 1.069 1256 F CA -0.410 57.773 58.000 0.305 0.000 1.138 1256 F CB -0.641 38.471 39.000 0.187 0.000 1.068 1256 F HN 0.459 nan 8.300 nan 0.000 0.556 1257 C N 6.423 125.938 119.300 0.359 0.000 3.028 1257 C HA 0.643 5.103 4.460 0.001 0.000 0.338 1257 C C -0.094 174.988 174.990 0.152 0.000 1.366 1257 C CA -1.214 57.947 59.018 0.239 0.000 1.610 1257 C CB 1.960 29.935 27.740 0.392 0.000 2.063 1257 C HN 0.754 nan 8.230 nan 0.000 0.463 1258 I N 1.699 122.336 120.570 0.112 0.000 2.447 1258 I HA 0.557 4.727 4.170 0.001 0.000 0.287 1258 I C -0.598 175.627 176.117 0.181 0.000 1.023 1258 I CA 0.537 61.925 61.300 0.148 0.000 1.083 1258 I CB 1.261 39.246 38.000 -0.024 0.000 1.245 1258 I HN 0.675 nan 8.210 nan 0.000 0.434 1259 S N 5.468 121.382 115.700 0.356 0.000 2.542 1259 S HA 0.475 4.945 4.470 0.001 0.000 0.293 1259 S C 0.401 175.195 174.600 0.324 0.000 1.089 1259 S CA -0.695 57.664 58.200 0.266 0.000 0.961 1259 S CB 2.029 65.260 63.200 0.052 0.000 1.062 1259 S HN 0.774 nan 8.310 nan 0.000 0.483 1260 K N 1.933 122.492 120.400 0.266 0.000 2.262 1260 K HA 0.015 4.336 4.320 0.001 0.000 0.200 1260 K C 1.371 178.071 176.600 0.167 0.000 1.049 1260 K CA 0.490 56.909 56.287 0.220 0.000 0.979 1260 K CB -0.093 32.508 32.500 0.169 0.000 0.773 1260 K HN 0.758 nan 8.250 nan 0.000 0.474 1261 W N 1.276 122.532 121.300 -0.072 0.000 2.308 1261 W HA -0.284 4.377 4.660 0.001 0.000 0.301 1261 W C 1.284 177.738 176.519 -0.109 0.000 1.220 1261 W CA 1.706 58.964 57.345 -0.144 0.000 1.240 1261 W CB -0.302 28.996 29.460 -0.269 0.000 1.142 1261 W HN 0.056 nan 8.180 nan 0.000 0.521 1262 Y N 0.156 120.528 120.300 0.120 0.000 2.274 1262 Y HA -0.234 4.317 4.550 0.001 0.000 0.290 1262 Y C 2.446 178.206 175.900 -0.233 0.000 1.145 1262 Y CA 1.611 59.655 58.100 -0.095 0.000 1.203 1262 Y CB -1.310 37.211 38.460 0.102 0.000 0.984 1262 Y HN -0.039 nan 8.280 nan 0.000 0.533 1263 L N 0.491 121.716 121.223 0.003 0.000 2.051 1263 L HA -0.314 4.026 4.340 0.001 0.000 0.214 1263 L C 2.433 179.193 176.870 -0.184 0.000 1.076 1263 L CA 2.322 57.114 54.840 -0.081 0.000 0.758 1263 L CB -0.650 41.404 42.059 -0.007 0.000 0.890 1263 L HN 0.324 nan 8.230 nan 0.000 0.433 1264 K N -1.210 119.046 120.400 -0.240 0.000 2.243 1264 K HA -0.053 4.268 4.320 0.001 0.000 0.201 1264 K C 1.674 178.074 176.600 -0.332 0.000 1.051 1264 K CA 0.520 56.654 56.287 -0.256 0.000 0.970 1264 K CB -0.051 32.303 32.500 -0.244 0.000 0.755 1264 K HN 0.130 nan 8.250 nan 0.000 0.465 1265 E N 1.666 121.572 120.200 -0.490 0.000 2.106 1265 E HA -0.115 4.236 4.350 0.001 0.000 0.192 1265 E C 2.277 178.676 176.600 -0.334 0.000 0.984 1265 E CA 1.604 57.701 56.400 -0.506 0.000 0.806 1265 E CB -0.271 28.960 29.700 -0.782 0.000 0.750 1265 E HN 0.386 nan 8.360 nan 0.000 0.458 1266 V N -0.767 118.972 119.914 -0.291 0.000 3.078 1266 V HA -0.074 4.046 4.120 0.001 0.000 0.265 1266 V C 1.690 177.744 176.094 -0.067 0.000 1.122 1266 V CA 1.252 63.437 62.300 -0.191 0.000 1.141 1266 V CB -0.541 31.010 31.823 -0.453 0.000 0.735 1266 V HN 0.054 nan 8.190 nan 0.000 0.498 1267 K N 0.213 120.535 120.400 -0.131 0.000 2.400 1267 K HA 0.179 4.500 4.320 0.001 0.000 0.194 1267 K C 0.942 177.528 176.600 -0.023 0.000 1.033 1267 K CA -0.138 56.123 56.287 -0.044 0.000 1.021 1267 K CB 0.116 32.577 32.500 -0.066 0.000 0.808 1267 K HN 0.488 nan 8.250 nan 0.000 0.505 1268 R N 1.501 121.957 120.500 -0.074 0.000 2.738 1268 R HA 0.121 4.461 4.340 0.001 0.000 0.268 1268 R C -0.005 176.289 176.300 -0.010 0.000 1.062 1268 R CA 0.374 56.436 56.100 -0.063 0.000 1.158 1268 R CB 0.433 30.664 30.300 -0.116 0.000 1.046 1268 R HN -0.179 nan 8.270 nan 0.000 0.493 1269 K N 2.325 122.723 120.400 -0.003 0.000 2.427 1269 K HA 0.360 4.681 4.320 0.001 0.000 0.252 1269 K C -2.125 174.481 176.600 0.010 0.000 0.931 1269 K CA -1.653 54.650 56.287 0.027 0.000 0.793 1269 K CB 1.767 34.286 32.500 0.033 0.000 1.211 1269 K HN 0.585 nan 8.250 nan 0.000 0.426 1270 P HA 0.143 nan 4.420 nan 0.000 0.274 1270 P C -0.571 176.766 177.300 0.062 0.000 1.237 1270 P CA -0.440 62.693 63.100 0.056 0.000 0.793 1270 P CB 0.424 32.154 31.700 0.051 0.000 0.977 1271 Y N 1.886 122.192 120.300 0.010 0.000 2.805 1271 Y HA -0.071 4.480 4.550 0.001 0.000 0.331 1271 Y C 0.939 176.844 175.900 0.009 0.000 1.241 1271 Y CA 0.181 58.288 58.100 0.011 0.000 1.546 1271 Y CB -0.154 38.323 38.460 0.029 0.000 1.248 1271 Y HN 0.306 nan 8.280 nan 0.000 0.559 1272 N N 6.835 125.136 118.700 -0.665 0.000 2.421 1272 N HA 0.019 4.759 4.740 0.001 0.000 0.260 1272 N C 0.526 175.798 175.510 -0.396 0.000 1.173 1272 N CA 0.337 53.139 53.050 -0.413 0.000 0.960 1272 N CB 0.089 38.372 38.487 -0.339 0.000 1.273 1272 N HN 0.903 nan 8.380 nan 0.000 0.497 1273 L N 2.341 123.512 121.223 -0.086 0.000 2.275 1273 L HA -0.063 4.277 4.340 0.001 0.000 0.215 1273 L C 1.825 178.696 176.870 0.001 0.000 1.119 1273 L CA 0.756 55.631 54.840 0.059 0.000 0.790 1273 L CB -0.127 41.992 42.059 0.098 0.000 0.919 1273 L HN 0.345 nan 8.230 nan 0.000 0.443 1274 K N 0.504 120.882 120.400 -0.037 0.000 2.525 1274 K HA 0.125 4.446 4.320 0.001 0.000 0.192 1274 K C 0.664 177.240 176.600 -0.040 0.000 1.029 1274 K CA 0.124 56.390 56.287 -0.035 0.000 1.029 1274 K CB -0.059 32.429 32.500 -0.020 0.000 0.814 1274 K HN 0.300 nan 8.250 nan 0.000 0.503 1275 L N 0.693 121.886 121.223 -0.049 0.000 2.514 1275 L HA -0.027 4.314 4.340 0.001 0.000 0.280 1275 L C 1.704 178.536 176.870 -0.062 0.000 1.223 1275 L CA -0.060 54.794 54.840 0.023 0.000 0.864 1275 L CB 0.458 42.506 42.059 -0.018 0.000 1.118 1275 L HN 0.186 nan 8.230 nan 0.000 0.494 1276 G N 1.307 110.142 108.800 0.058 0.000 2.776 1276 G HA2 -0.149 3.811 3.960 0.001 0.000 0.209 1276 G HA3 -0.149 3.811 3.960 0.001 0.000 0.209 1276 G C 1.123 175.730 174.900 -0.488 0.000 1.145 1276 G CA 0.547 45.563 45.100 -0.140 0.000 0.791 1276 G HN 0.896 nan 8.290 nan 0.000 0.530 1277 C N -1.349 117.551 119.300 -0.666 0.000 2.754 1277 C HA 0.370 4.830 4.460 0.001 0.000 0.276 1277 C C 0.563 175.368 174.990 -0.309 0.000 1.264 1277 C CA -1.730 56.882 59.018 -0.676 0.000 1.700 1277 C CB -1.676 25.462 27.740 -1.003 0.000 1.885 1277 C HN 0.224 nan 8.230 nan 0.000 0.607 1278 N N 0.743 119.210 118.700 -0.389 0.000 2.420 1278 N HA 0.437 5.177 4.740 0.001 0.000 0.249 1278 N C -1.108 174.174 175.510 -0.379 0.000 1.033 1278 N CA -0.197 52.746 53.050 -0.180 0.000 0.944 1278 N CB 0.572 39.035 38.487 -0.039 0.000 1.113 1278 N HN 0.567 nan 8.380 nan 0.000 0.502 1279 W N 1.001 122.278 121.300 -0.038 0.000 2.719 1279 W HA 0.498 5.158 4.660 0.000 0.000 0.352 1279 W C -0.107 176.354 176.519 -0.097 0.000 1.085 1279 W CA -0.608 56.658 57.345 -0.132 0.000 1.187 1279 W CB 1.242 30.533 29.460 -0.281 0.000 1.417 1279 W HN 0.134 nan 8.180 nan 0.000 0.557 1280 Q N 1.033 120.920 119.800 0.145 0.000 2.345 1280 Q HA 0.450 4.790 4.340 0.001 0.000 0.275 1280 Q C -1.637 174.244 176.000 -0.198 0.000 1.063 1280 Q CA -1.027 54.837 55.803 0.102 0.000 0.819 1280 Q CB 2.666 31.629 28.738 0.374 0.000 1.356 1280 Q HN 0.296 nan 8.270 nan 0.000 0.418 1281 F N 2.116 122.015 119.950 -0.084 0.000 2.415 1281 F HA 0.485 5.012 4.527 0.001 0.000 0.348 1281 F C 0.053 175.724 175.800 -0.215 0.000 1.119 1281 F CA -0.576 57.262 58.000 -0.271 0.000 1.069 1281 F CB 0.900 39.381 39.000 -0.866 0.000 1.124 1281 F HN 0.279 nan 8.300 nan 0.000 0.472 1282 I N 6.188 126.833 120.570 0.125 0.000 2.359 1282 I HA 0.308 4.479 4.170 0.001 0.000 0.284 1282 I C -2.456 173.995 176.117 0.557 0.000 1.018 1282 I CA -2.002 59.349 61.300 0.084 0.000 1.173 1282 I CB 1.218 39.062 38.000 -0.259 0.000 1.326 1282 I HN 0.275 nan 8.210 nan 0.000 0.462 1283 P HA 0.260 nan 4.420 nan 0.000 0.285 1283 P C -0.864 176.832 177.300 0.661 0.000 1.269 1283 P CA -0.815 62.643 63.100 0.597 0.000 0.844 1283 P CB 1.266 33.263 31.700 0.495 0.000 1.094 1284 K N 1.248 121.850 120.400 0.337 0.000 2.485 1284 K HA 0.092 4.412 4.320 0.001 0.000 0.277 1284 K C 0.243 177.006 176.600 0.271 0.000 0.990 1284 K CA 0.780 57.114 56.287 0.078 0.000 0.994 1284 K CB 0.144 32.519 32.500 -0.208 0.000 0.906 1284 K HN 0.539 nan 8.250 nan 0.000 0.488 1285 D N 1.619 122.220 120.400 0.335 0.000 2.990 1285 D HA -0.009 4.632 4.640 0.001 0.000 0.227 1285 D C 0.588 176.964 176.300 0.126 0.000 1.249 1285 D CA -0.240 53.835 54.000 0.126 0.000 0.891 1285 D CB 1.291 41.958 40.800 -0.222 0.000 1.647 1285 D HN 0.676 nan 8.370 nan 0.000 0.530 1286 E N 1.781 122.038 120.200 0.096 0.000 2.273 1286 E HA -0.138 4.212 4.350 0.001 0.000 0.198 1286 E C 1.429 178.161 176.600 0.221 0.000 1.002 1286 E CA 1.238 57.727 56.400 0.149 0.000 0.828 1286 E CB -0.203 29.568 29.700 0.118 0.000 0.747 1286 E HN 0.439 nan 8.360 nan 0.000 0.491 1287 G N 0.210 109.124 108.800 0.190 0.000 2.744 1287 G HA2 -0.166 3.795 3.960 0.001 0.000 0.211 1287 G HA3 -0.166 3.795 3.960 0.001 0.000 0.211 1287 G C -0.276 174.583 174.900 -0.069 0.000 1.143 1287 G CA -0.115 45.042 45.100 0.095 0.000 0.788 1287 G HN 0.329 nan 8.290 nan 0.000 0.534 1288 W N 2.303 123.488 121.300 -0.193 0.000 2.587 1288 W HA 0.491 5.151 4.660 0.000 0.000 0.324 1288 W C -0.918 175.618 176.519 0.028 0.000 1.008 1288 W CA -0.679 56.565 57.345 -0.168 0.000 1.265 1288 W CB 1.473 30.826 29.460 -0.178 0.000 1.328 1288 W HN 0.014 nan 8.180 nan 0.000 0.432 1289 T N 2.184 116.473 114.554 -0.441 0.000 2.863 1289 T HA 0.717 5.068 4.350 0.001 0.000 0.285 1289 T C -0.520 173.948 174.700 -0.387 0.000 1.009 1289 T CA -0.498 61.507 62.100 -0.158 0.000 0.989 1289 T CB 2.835 71.647 68.868 -0.094 0.000 1.004 1289 T HN 0.563 nan 8.240 nan 0.000 0.455 1290 E N 0.000 120.178 120.200 -0.037 0.000 2.725 1290 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1290 E CA 0.000 56.433 56.400 0.054 0.000 0.976 1290 E CB 0.000 29.807 29.700 0.179 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440