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 1s0c_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 63.102 63.100 0.004 0.000 0.800 1 P CB 0.000 31.701 31.700 0.001 0.000 0.726 2 V N 0.133 120.053 119.914 0.009 0.000 2.448 2 V HA 0.532 4.669 4.120 0.028 0.000 0.295 2 V C 0.062 176.163 176.094 0.011 0.000 1.025 2 V CA -0.210 62.098 62.300 0.014 0.000 0.859 2 V CB 1.819 33.661 31.823 0.032 0.000 0.988 2 V HN 0.707 nan 8.190 nan 0.000 0.431 3 T N 6.245 120.798 114.554 -0.002 0.000 2.749 3 T HA 0.515 4.882 4.350 0.028 0.000 0.287 3 T C -0.193 174.491 174.700 -0.027 0.000 0.970 3 T CA -0.243 61.848 62.100 -0.015 0.000 0.980 3 T CB 0.554 69.407 68.868 -0.025 0.000 0.924 3 T HN 0.292 nan 8.240 nan 0.000 0.456 4 I N 4.558 125.107 120.570 -0.035 0.000 2.304 4 I HA 0.255 4.441 4.170 0.028 0.000 0.291 4 I C 0.604 176.635 176.117 -0.142 0.000 1.018 4 I CA -0.878 60.375 61.300 -0.077 0.000 1.260 4 I CB 0.367 38.340 38.000 -0.044 0.000 1.390 4 I HN 0.520 nan 8.210 nan 0.000 0.475 5 N N 5.978 124.574 118.700 -0.174 0.000 2.415 5 N HA 0.190 4.946 4.740 0.028 0.000 0.248 5 N C -0.126 175.066 175.510 -0.531 0.000 1.271 5 N CA 0.004 52.926 53.050 -0.213 0.000 0.913 5 N CB 0.848 39.319 38.487 -0.027 0.000 1.129 5 N HN 0.478 nan 8.380 nan 0.000 0.444 6 N N 0.422 118.834 118.700 -0.480 0.000 2.319 6 N HA 0.593 5.350 4.740 0.028 0.000 0.305 6 N C -0.954 174.264 175.510 -0.487 0.000 1.103 6 N CA -0.240 52.451 53.050 -0.599 0.000 0.815 6 N CB 1.656 39.992 38.487 -0.251 0.000 1.288 6 N HN 0.399 nan 8.380 nan 0.000 0.493 7 F N -1.595 118.374 119.950 0.032 0.000 2.829 7 F HA 0.421 4.965 4.527 0.027 0.000 0.319 7 F C -1.318 174.513 175.800 0.051 0.000 1.153 7 F CA -1.257 56.789 58.000 0.077 0.000 0.912 7 F CB 0.634 39.742 39.000 0.181 0.000 1.292 7 F HN 0.128 nan 8.300 nan 0.000 0.447 8 N N 0.342 119.268 118.700 0.377 0.000 2.384 8 N HA 0.195 4.951 4.740 0.028 0.000 0.301 8 N C 0.016 175.690 175.510 0.274 0.000 1.133 8 N CA -0.635 52.566 53.050 0.253 0.000 0.853 8 N CB 1.748 40.340 38.487 0.175 0.000 1.241 8 N HN 0.860 nan 8.380 nan 0.000 0.502 9 Y N 1.866 122.213 120.300 0.078 0.000 2.165 9 Y HA -0.124 4.443 4.550 0.028 0.000 0.286 9 Y C 1.425 177.485 175.900 0.267 0.000 1.155 9 Y CA 1.833 59.999 58.100 0.109 0.000 1.164 9 Y CB -0.015 38.466 38.460 0.035 0.000 0.978 9 Y HN 0.496 nan 8.280 nan 0.000 0.513 10 N N 0.667 119.457 118.700 0.151 0.000 2.521 10 N HA -0.066 4.691 4.740 0.028 0.000 0.188 10 N C -0.411 175.122 175.510 0.037 0.000 1.146 10 N CA 0.566 53.651 53.050 0.058 0.000 0.893 10 N CB -0.450 38.100 38.487 0.105 0.000 0.975 10 N HN 0.358 nan 8.380 nan 0.000 0.451 11 D N 1.705 122.161 120.400 0.093 0.000 2.449 11 D HA 0.090 4.747 4.640 0.028 0.000 0.236 11 D C -2.069 174.229 176.300 -0.003 0.000 1.149 11 D CA -0.753 53.294 54.000 0.078 0.000 0.878 11 D CB 0.231 41.124 40.800 0.154 0.000 1.198 11 D HN 0.070 nan 8.370 nan 0.000 0.446 12 P HA 0.126 nan 4.420 nan 0.000 0.271 12 P C -0.088 177.158 177.300 -0.090 0.000 1.218 12 P CA -0.176 62.893 63.100 -0.052 0.000 0.780 12 P CB 0.542 32.226 31.700 -0.027 0.000 0.901 13 I N 2.837 123.336 120.570 -0.119 0.000 2.533 13 I HA -0.001 4.186 4.170 0.028 0.000 0.284 13 I C 0.858 176.921 176.117 -0.091 0.000 1.109 13 I CA 0.604 61.818 61.300 -0.144 0.000 1.412 13 I CB 0.455 38.366 38.000 -0.148 0.000 1.396 13 I HN 0.472 nan 8.210 nan 0.000 0.543 14 D N 4.230 124.584 120.400 -0.076 0.000 2.469 14 D HA 0.011 4.668 4.640 0.028 0.000 0.215 14 D C 0.435 176.717 176.300 -0.030 0.000 1.154 14 D CA -0.305 53.671 54.000 -0.040 0.000 0.832 14 D CB 0.020 40.810 40.800 -0.017 0.000 1.008 14 D HN 0.473 nan 8.370 nan 0.000 0.506 15 N N 0.091 118.764 118.700 -0.044 0.000 2.778 15 N HA -0.251 4.506 4.740 0.028 0.000 0.249 15 N C 0.228 175.747 175.510 0.016 0.000 1.069 15 N CA 1.223 54.254 53.050 -0.031 0.000 0.831 15 N CB -1.548 36.916 38.487 -0.038 0.000 1.142 15 N HN 0.625 nan 8.380 nan 0.000 0.573 16 N N -0.452 118.275 118.700 0.046 0.000 3.170 16 N HA 0.127 4.884 4.740 0.028 0.000 0.235 16 N C 0.400 176.013 175.510 0.172 0.000 1.037 16 N CA -0.065 53.040 53.050 0.092 0.000 1.160 16 N CB 0.254 38.772 38.487 0.050 0.000 1.606 16 N HN -0.007 nan 8.380 nan 0.000 0.580 17 N N 0.280 119.036 118.700 0.094 0.000 2.282 17 N HA 0.312 5.068 4.740 0.028 0.000 0.185 17 N C -0.566 174.966 175.510 0.038 0.000 1.099 17 N CA 0.334 53.411 53.050 0.045 0.000 0.878 17 N CB 1.361 39.863 38.487 0.025 0.000 0.993 17 N HN 0.299 nan 8.380 nan 0.000 0.481 18 I N 2.095 122.657 120.570 -0.012 0.000 2.468 18 I HA 0.385 4.571 4.170 0.028 0.000 0.284 18 I C -0.496 175.513 176.117 -0.180 0.000 1.038 18 I CA -0.722 60.433 61.300 -0.241 0.000 1.083 18 I CB 1.474 39.264 38.000 -0.351 0.000 1.223 18 I HN -0.129 nan 8.210 nan 0.000 0.443 19 I N 1.986 122.436 120.570 -0.201 0.000 3.457 19 I HA 0.641 4.827 4.170 0.028 0.000 0.307 19 I C -1.175 174.819 176.117 -0.204 0.000 1.138 19 I CA -1.141 60.045 61.300 -0.190 0.000 0.974 19 I CB 2.371 40.246 38.000 -0.207 0.000 1.324 19 I HN 0.239 nan 8.210 nan 0.000 0.485 20 M N 3.343 122.863 119.600 -0.134 0.000 2.036 20 M HA 0.453 4.950 4.480 0.028 0.000 0.337 20 M C -0.697 175.662 176.300 0.098 0.000 1.012 20 M CA -0.351 54.933 55.300 -0.027 0.000 0.962 20 M CB 1.006 33.551 32.600 -0.091 0.000 1.423 20 M HN 0.707 nan 8.290 nan 0.000 0.405 21 M N 1.927 121.584 119.600 0.094 0.000 2.409 21 M HA 0.321 4.818 4.480 0.028 0.000 0.329 21 M C -0.222 176.146 176.300 0.113 0.000 1.180 21 M CA -0.214 55.107 55.300 0.035 0.000 1.053 21 M CB 1.241 33.713 32.600 -0.213 0.000 1.586 21 M HN 0.382 nan 8.290 nan 0.000 0.461 22 E N 4.490 124.655 120.200 -0.059 0.000 2.121 22 E HA 0.418 4.785 4.350 0.028 0.000 0.255 22 E C -2.437 174.078 176.600 -0.141 0.000 0.906 22 E CA -1.878 54.350 56.400 -0.287 0.000 0.745 22 E CB 0.827 30.295 29.700 -0.387 0.000 1.155 22 E HN 0.386 nan 8.360 nan 0.000 0.424 23 P HA -0.005 nan 4.420 nan 0.000 0.266 23 P C -1.945 175.214 177.300 -0.236 0.000 1.193 23 P CA -0.845 62.144 63.100 -0.186 0.000 0.770 23 P CB 0.329 31.896 31.700 -0.223 0.000 0.836 24 P HA -0.175 nan 4.420 nan 0.000 0.216 24 P C 0.886 178.100 177.300 -0.143 0.000 1.154 24 P CA 1.624 64.578 63.100 -0.243 0.000 0.865 24 P CB -0.288 31.174 31.700 -0.397 0.000 0.789 25 F N -1.687 117.999 119.950 -0.439 0.000 2.811 25 F HA 0.135 4.678 4.527 0.028 0.000 0.301 25 F C 1.986 177.678 175.800 -0.178 0.000 1.151 25 F CA -0.257 57.505 58.000 -0.396 0.000 1.412 25 F CB -0.106 38.503 39.000 -0.651 0.000 1.113 25 F HN -0.061 nan 8.300 nan 0.000 0.579 26 A N 0.351 123.189 122.820 0.031 0.000 2.218 26 A HA 0.051 4.387 4.320 0.028 0.000 0.209 26 A C 1.375 178.962 177.584 0.005 0.000 1.168 26 A CA -0.066 52.044 52.037 0.122 0.000 0.804 26 A CB -0.382 18.673 19.000 0.091 0.000 0.834 26 A HN 0.441 nan 8.150 nan 0.000 0.482 27 R N -2.188 118.326 120.500 0.023 0.000 3.741 27 R HA -0.226 4.130 4.340 0.028 0.000 0.292 27 R C 0.961 177.058 176.300 -0.338 0.000 1.176 27 R CA 0.507 56.603 56.100 -0.006 0.000 0.794 27 R CB -2.508 27.794 30.300 0.003 0.000 1.213 27 R HN 1.521 nan 8.270 nan 0.000 0.494 28 G N -0.475 107.985 108.800 -0.566 0.000 2.179 28 G HA2 -0.380 3.597 3.960 0.028 0.000 0.257 28 G HA3 -0.380 3.597 3.960 0.028 0.000 0.257 28 G C 0.177 174.692 174.900 -0.641 0.000 1.010 28 G CA 0.940 45.310 45.100 -1.216 0.000 0.736 28 G HN 0.832 nan 8.290 nan 0.000 0.513 29 T N -3.572 110.777 114.554 -0.342 0.000 2.838 29 T HA 0.960 5.327 4.350 0.028 0.000 0.292 29 T C 0.948 175.582 174.700 -0.110 0.000 1.113 29 T CA 0.519 62.506 62.100 -0.189 0.000 1.008 29 T CB 2.144 70.934 68.868 -0.129 0.000 1.259 29 T HN 2.269 nan 8.240 nan 0.000 0.520 30 G N 1.156 109.925 108.800 -0.051 0.000 2.693 30 G HA2 -0.013 3.963 3.960 0.028 0.000 0.226 30 G HA3 -0.013 3.963 3.960 0.028 0.000 0.226 30 G C -0.349 174.555 174.900 0.006 0.000 1.354 30 G CA 0.113 45.206 45.100 -0.013 0.000 0.873 30 G HN 0.983 nan 8.290 nan 0.000 0.562 31 R N -1.189 119.321 120.500 0.016 0.000 2.652 31 R HA 0.659 5.015 4.340 0.028 0.000 0.271 31 R C -0.173 176.164 176.300 0.063 0.000 1.129 31 R CA -0.183 55.948 56.100 0.051 0.000 1.200 31 R CB -0.098 30.159 30.300 -0.073 0.000 1.146 31 R HN 0.534 nan 8.270 nan 0.000 0.581 32 Y N -0.059 120.239 120.300 -0.004 0.000 2.534 32 Y HA 0.395 4.962 4.550 0.028 0.000 0.329 32 Y C -0.723 175.215 175.900 0.063 0.000 1.154 32 Y CA -0.228 57.945 58.100 0.121 0.000 1.192 32 Y CB 1.155 39.636 38.460 0.037 0.000 1.275 32 Y HN 0.387 nan 8.280 nan 0.000 0.491 33 Y N 0.179 120.580 120.300 0.168 0.000 2.376 33 Y HA 0.320 4.887 4.550 0.028 0.000 0.340 33 Y C -0.095 175.843 175.900 0.064 0.000 0.965 33 Y CA -1.815 56.366 58.100 0.136 0.000 1.078 33 Y CB 1.529 40.098 38.460 0.182 0.000 1.193 33 Y HN 0.342 nan 8.280 nan 0.000 0.452 34 K N 2.605 123.108 120.400 0.172 0.000 2.402 34 K HA 0.551 4.888 4.320 0.028 0.000 0.285 34 K C -0.641 175.970 176.600 0.018 0.000 1.054 34 K CA 0.074 56.351 56.287 -0.017 0.000 1.001 34 K CB 0.028 32.487 32.500 -0.070 0.000 0.946 34 K HN 0.809 nan 8.250 nan 0.000 0.473 35 A N 4.563 127.281 122.820 -0.170 0.000 2.355 35 A HA 0.698 5.035 4.320 0.028 0.000 0.324 35 A C -1.415 176.085 177.584 -0.140 0.000 1.117 35 A CA -0.779 51.265 52.037 0.013 0.000 0.785 35 A CB 0.601 19.587 19.000 -0.023 0.000 1.254 35 A HN 0.602 nan 8.150 nan 0.000 0.453 36 F N 0.840 120.879 119.950 0.148 0.000 2.493 36 F HA 0.446 4.989 4.527 0.028 0.000 0.329 36 F C 0.516 176.204 175.800 -0.187 0.000 1.126 36 F CA -0.720 57.143 58.000 -0.229 0.000 0.937 36 F CB 2.126 40.581 39.000 -0.909 0.000 1.146 36 F HN 0.563 nan 8.300 nan 0.000 0.442 37 K N 4.448 124.612 120.400 -0.394 0.000 2.262 37 K HA 0.246 4.583 4.320 0.028 0.000 0.288 37 K C 0.931 177.425 176.600 -0.177 0.000 1.090 37 K CA 0.000 55.767 56.287 -0.868 0.000 0.918 37 K CB 0.302 32.059 32.500 -1.237 0.000 1.139 37 K HN 0.939 nan 8.250 nan 0.000 0.462 38 I N 3.092 123.585 120.570 -0.128 0.000 2.546 38 I HA -0.135 4.052 4.170 0.028 0.000 0.255 38 I C 0.264 176.264 176.117 -0.195 0.000 1.163 38 I CA 1.071 62.327 61.300 -0.073 0.000 1.457 38 I CB 0.330 38.119 38.000 -0.353 0.000 1.092 38 I HN 0.814 nan 8.210 nan 0.000 0.434 39 T N -3.418 110.999 114.554 -0.229 0.000 2.749 39 T HA 0.193 4.559 4.350 0.028 0.000 0.310 39 T C -1.005 173.577 174.700 -0.196 0.000 1.496 39 T CA -0.997 61.012 62.100 -0.151 0.000 1.006 39 T CB 0.996 69.832 68.868 -0.052 0.000 1.457 39 T HN -0.122 nan 8.240 nan 0.000 0.497 40 D N 1.605 121.929 120.400 -0.126 0.000 2.571 40 D HA 0.139 4.795 4.640 0.028 0.000 0.231 40 D C 0.990 177.231 176.300 -0.098 0.000 1.133 40 D CA 0.568 54.500 54.000 -0.113 0.000 0.862 40 D CB 0.288 41.053 40.800 -0.058 0.000 1.179 40 D HN 0.635 nan 8.370 nan 0.000 0.474 41 R N 0.344 120.802 120.500 -0.070 0.000 4.023 41 R HA -0.215 4.142 4.340 0.028 0.000 0.368 41 R C -0.230 176.088 176.300 0.030 0.000 1.187 41 R CA 0.780 56.906 56.100 0.043 0.000 1.089 41 R CB -2.099 28.238 30.300 0.062 0.000 1.574 41 R HN 0.558 nan 8.270 nan 0.000 0.564 42 I N -0.096 120.374 120.570 -0.166 0.000 2.466 42 I HA 0.346 4.532 4.170 0.028 0.000 0.289 42 I C -0.252 175.679 176.117 -0.310 0.000 1.026 42 I CA -0.692 60.557 61.300 -0.085 0.000 1.078 42 I CB 1.353 39.355 38.000 0.003 0.000 1.249 42 I HN -0.133 nan 8.210 nan 0.000 0.429 43 W N 6.508 127.817 121.300 0.014 0.000 2.689 43 W HA 0.625 5.301 4.660 0.027 0.000 0.340 43 W C -0.673 175.850 176.519 0.006 0.000 1.060 43 W CA -0.599 56.746 57.345 0.000 0.000 1.218 43 W CB 1.392 30.831 29.460 -0.035 0.000 1.410 43 W HN 0.041 nan 8.180 nan 0.000 0.528 44 I N 3.868 124.619 120.570 0.302 0.000 2.406 44 I HA 0.389 4.575 4.170 0.028 0.000 0.290 44 I C -0.529 175.777 176.117 0.315 0.000 0.999 44 I CA -1.347 60.115 61.300 0.270 0.000 1.124 44 I CB 1.229 39.389 38.000 0.266 0.000 1.289 44 I HN 0.363 nan 8.210 nan 0.000 0.441 45 I N 7.851 128.519 120.570 0.162 0.000 2.405 45 I HA 0.249 4.436 4.170 0.028 0.000 0.280 45 I C -2.139 174.084 176.117 0.177 0.000 1.027 45 I CA -1.586 59.812 61.300 0.163 0.000 1.161 45 I CB 1.882 39.786 38.000 -0.161 0.000 1.300 45 I HN 0.222 nan 8.210 nan 0.000 0.463 46 P HA 0.145 nan 4.420 nan 0.000 0.231 46 P C -0.736 176.443 177.300 -0.203 0.000 1.756 46 P CA 0.469 63.456 63.100 -0.187 0.000 0.990 46 P CB -0.098 31.561 31.700 -0.068 0.000 1.973 47 E N 0.307 120.484 120.200 -0.039 0.000 2.429 47 E HA 0.392 4.758 4.350 0.028 0.000 0.276 47 E C -0.236 176.456 176.600 0.153 0.000 0.953 47 E CA -1.193 55.247 56.400 0.067 0.000 0.787 47 E CB 1.584 31.451 29.700 0.278 0.000 1.307 47 E HN -0.003 nan 8.360 nan 0.000 0.458 48 R N 0.877 121.443 120.500 0.110 0.000 2.679 48 R HA 0.071 4.428 4.340 0.028 0.000 0.268 48 R C -0.558 175.893 176.300 0.252 0.000 1.044 48 R CA 0.082 56.292 56.100 0.183 0.000 1.105 48 R CB -0.089 30.242 30.300 0.052 0.000 0.989 48 R HN 0.540 nan 8.270 nan 0.000 0.447 49 Y N 1.457 121.868 120.300 0.185 0.000 2.452 49 Y HA 0.030 4.596 4.550 0.028 0.000 0.348 49 Y C 1.086 177.093 175.900 0.178 0.000 0.985 49 Y CA 0.238 58.393 58.100 0.090 0.000 1.214 49 Y CB 0.735 39.277 38.460 0.137 0.000 1.136 49 Y HN 0.671 nan 8.280 nan 0.000 0.523 50 T N 1.515 115.928 114.554 -0.236 0.000 3.010 50 T HA 0.204 4.570 4.350 0.028 0.000 0.257 50 T C 0.046 174.700 174.700 -0.077 0.000 1.020 50 T CA -0.272 61.832 62.100 0.007 0.000 0.938 50 T CB -0.519 68.237 68.868 -0.187 0.000 1.049 50 T HN 0.340 nan 8.240 nan 0.000 0.522 51 F N 2.936 122.798 119.950 -0.146 0.000 2.546 51 F HA 0.438 4.982 4.527 0.027 0.000 0.388 51 F C 1.785 177.611 175.800 0.043 0.000 1.051 51 F CA 0.898 58.836 58.000 -0.104 0.000 1.130 51 F CB -0.364 38.483 39.000 -0.255 0.000 1.044 51 F HN 0.364 nan 8.300 nan 0.000 0.553 52 G N 2.189 111.036 108.800 0.078 0.000 2.176 52 G HA2 -0.304 3.673 3.960 0.028 0.000 0.253 52 G HA3 -0.304 3.673 3.960 0.028 0.000 0.253 52 G C -0.424 174.431 174.900 -0.075 0.000 0.979 52 G CA -0.552 44.488 45.100 -0.100 0.000 0.641 52 G HN 0.593 nan 8.290 nan 0.000 0.530 53 Y N 0.632 121.086 120.300 0.257 0.000 2.429 53 Y HA 0.592 5.159 4.550 0.027 0.000 0.342 53 Y C 0.793 176.840 175.900 0.246 0.000 1.004 53 Y CA -1.040 57.215 58.100 0.258 0.000 1.075 53 Y CB 1.356 39.918 38.460 0.170 0.000 1.214 53 Y HN -0.020 nan 8.280 nan 0.000 0.455 54 K N 4.084 124.732 120.400 0.413 0.000 2.270 54 K HA 0.130 4.466 4.320 0.028 0.000 0.276 54 K C -1.985 174.834 176.600 0.365 0.000 1.023 54 K CA -1.402 55.060 56.287 0.291 0.000 0.955 54 K CB 0.628 33.256 32.500 0.215 0.000 0.975 54 K HN 0.337 nan 8.250 nan 0.000 0.471 55 P HA -0.267 nan 4.420 nan 0.000 0.216 55 P C 0.972 178.448 177.300 0.294 0.000 1.153 55 P CA 1.294 64.546 63.100 0.254 0.000 0.858 55 P CB 0.172 31.926 31.700 0.089 0.000 0.789 56 E N -0.514 119.802 120.200 0.195 0.000 2.268 56 E HA -0.187 4.180 4.350 0.028 0.000 0.195 56 E C 0.872 177.566 176.600 0.157 0.000 0.995 56 E CA 1.166 57.650 56.400 0.141 0.000 0.836 56 E CB -1.117 28.628 29.700 0.074 0.000 0.763 56 E HN 0.231 nan 8.360 nan 0.000 0.491 57 D N 0.187 120.719 120.400 0.220 0.000 2.378 57 D HA -0.042 4.615 4.640 0.028 0.000 0.222 57 D C 0.889 177.279 176.300 0.151 0.000 0.980 57 D CA 0.398 54.504 54.000 0.177 0.000 0.907 57 D CB -0.384 40.614 40.800 0.331 0.000 0.899 57 D HN 0.213 nan 8.370 nan 0.000 0.527 58 F N 0.578 120.609 119.950 0.135 0.000 2.748 58 F HA 0.041 4.585 4.527 0.028 0.000 0.299 58 F C 1.031 176.896 175.800 0.109 0.000 1.154 58 F CA 0.245 58.319 58.000 0.124 0.000 1.446 58 F CB 0.046 39.065 39.000 0.032 0.000 1.112 58 F HN -0.207 nan 8.300 nan 0.000 0.584 59 N N 0.984 119.762 118.700 0.129 0.000 2.473 59 N HA 0.055 4.812 4.740 0.028 0.000 0.291 59 N C -0.091 175.235 175.510 -0.307 0.000 1.083 59 N CA -0.456 52.582 53.050 -0.021 0.000 0.951 59 N CB 0.974 39.451 38.487 -0.017 0.000 1.164 59 N HN -0.149 nan 8.380 nan 0.000 0.480 60 K N 1.262 121.455 120.400 -0.344 0.000 2.451 60 K HA 0.056 4.392 4.320 0.028 0.000 0.280 60 K C 0.022 176.382 176.600 -0.400 0.000 1.020 60 K CA 0.344 56.264 56.287 -0.611 0.000 1.008 60 K CB 0.191 32.588 32.500 -0.171 0.000 0.917 60 K HN 0.825 nan 8.250 nan 0.000 0.478 61 S N 0.893 116.321 115.700 -0.453 0.000 2.911 61 S HA 0.248 4.734 4.470 0.028 0.000 0.319 61 S C 0.525 175.015 174.600 -0.183 0.000 1.154 61 S CA -0.131 57.918 58.200 -0.252 0.000 0.857 61 S CB 0.823 63.881 63.200 -0.237 0.000 1.279 61 S HN 0.499 nan 8.310 nan 0.000 0.593 62 S N -0.701 114.923 115.700 -0.126 0.000 2.671 62 S HA 0.435 4.922 4.470 0.028 0.000 0.220 62 S C 0.723 175.277 174.600 -0.077 0.000 0.951 62 S CA -0.068 58.083 58.200 -0.081 0.000 0.932 62 S CB -0.935 62.231 63.200 -0.057 0.000 0.777 62 S HN 1.164 nan 8.310 nan 0.000 0.508 63 G N 0.995 109.718 108.800 -0.128 0.000 2.644 63 G HA2 0.724 4.700 3.960 0.028 0.000 0.307 63 G HA3 0.724 4.700 3.960 0.028 0.000 0.307 63 G C -0.982 173.838 174.900 -0.133 0.000 1.250 63 G CA -1.026 43.996 45.100 -0.129 0.000 0.996 63 G HN 0.565 nan 8.290 nan 0.000 0.489 64 I N -4.149 116.345 120.570 -0.126 0.000 2.994 64 I HA 0.625 4.812 4.170 0.028 0.000 0.306 64 I C -0.411 175.617 176.117 -0.148 0.000 1.195 64 I CA -1.090 60.183 61.300 -0.045 0.000 1.001 64 I CB 1.669 39.712 38.000 0.073 0.000 1.244 64 I HN 0.407 nan 8.210 nan 0.000 0.437 65 F N 0.296 120.288 119.950 0.070 0.000 2.317 65 F HA 0.271 4.814 4.527 0.027 0.000 0.290 65 F C 1.154 176.946 175.800 -0.013 0.000 1.075 65 F CA 0.704 58.725 58.000 0.035 0.000 1.380 65 F CB 0.318 39.333 39.000 0.026 0.000 1.093 65 F HN 0.558 nan 8.300 nan 0.000 0.524 66 N N 0.204 119.001 118.700 0.161 0.000 2.372 66 N HA 0.195 4.952 4.740 0.028 0.000 0.285 66 N C 0.428 175.943 175.510 0.009 0.000 1.008 66 N CA -0.216 52.869 53.050 0.057 0.000 0.880 66 N CB 1.495 40.010 38.487 0.046 0.000 1.239 66 N HN 0.059 nan 8.380 nan 0.000 0.484 67 R N 1.083 121.536 120.500 -0.078 0.000 2.237 67 R HA 0.029 4.385 4.340 0.028 0.000 0.219 67 R C -0.153 176.214 176.300 0.112 0.000 1.080 67 R CA 0.898 56.933 56.100 -0.109 0.000 0.995 67 R CB 0.320 30.414 30.300 -0.345 0.000 0.875 67 R HN 0.522 nan 8.270 nan 0.000 0.462 68 D N 0.130 120.568 120.400 0.063 0.000 2.670 68 D HA 0.142 4.798 4.640 0.028 0.000 0.255 68 D C -0.969 175.345 176.300 0.023 0.000 1.286 68 D CA 0.213 54.249 54.000 0.060 0.000 0.830 68 D CB 1.078 41.892 40.800 0.023 0.000 1.065 68 D HN -0.123 nan 8.370 nan 0.000 0.486 69 V N 0.955 120.896 119.914 0.045 0.000 2.733 69 V HA 0.113 4.250 4.120 0.028 0.000 0.306 69 V C -0.090 176.038 176.094 0.057 0.000 1.084 69 V CA -1.048 61.267 62.300 0.025 0.000 0.905 69 V CB 2.532 34.354 31.823 -0.001 0.000 1.010 69 V HN 0.200 nan 8.190 nan 0.000 0.424 70 C N 5.285 124.616 119.300 0.052 0.000 2.311 70 C HA 0.324 4.800 4.460 0.028 0.000 0.357 70 C C 0.726 175.761 174.990 0.075 0.000 1.086 70 C CA -0.484 58.580 59.018 0.076 0.000 1.486 70 C CB -1.632 26.148 27.740 0.066 0.000 1.974 70 C HN 0.891 nan 8.230 nan 0.000 0.508 71 E N 4.316 124.571 120.200 0.092 0.000 2.257 71 E HA 0.100 4.467 4.350 0.028 0.000 0.278 71 E C -0.936 175.704 176.600 0.066 0.000 1.049 71 E CA 0.043 56.458 56.400 0.024 0.000 0.876 71 E CB 0.802 30.519 29.700 0.027 0.000 1.035 71 E HN 0.740 nan 8.360 nan 0.000 0.419 72 Y N 3.815 123.998 120.300 -0.195 0.000 2.328 72 Y HA 0.246 4.812 4.550 0.027 0.000 0.337 72 Y C -1.388 174.299 175.900 -0.356 0.000 1.008 72 Y CA -0.947 57.064 58.100 -0.148 0.000 1.129 72 Y CB 0.484 38.849 38.460 -0.159 0.000 1.185 72 Y HN 0.375 nan 8.280 nan 0.000 0.476 73 Y N 4.009 123.857 120.300 -0.754 0.000 2.409 73 Y HA 0.457 5.023 4.550 0.027 0.000 0.339 73 Y C -0.515 174.808 175.900 -0.962 0.000 1.033 73 Y CA -0.895 56.812 58.100 -0.655 0.000 1.094 73 Y CB 1.733 40.012 38.460 -0.301 0.000 1.210 73 Y HN 0.557 nan 8.280 nan 0.000 0.456 74 D N 3.867 123.970 120.400 -0.495 0.000 2.362 74 D HA 0.148 4.805 4.640 0.028 0.000 0.232 74 D C -2.340 173.902 176.300 -0.096 0.000 1.329 74 D CA -1.553 52.210 54.000 -0.394 0.000 0.944 74 D CB 1.597 42.113 40.800 -0.474 0.000 1.471 74 D HN 0.208 nan 8.370 nan 0.000 0.533 75 P HA -0.020 nan 4.420 nan 0.000 0.226 75 P C 0.405 177.716 177.300 0.018 0.000 1.153 75 P CA 0.602 63.743 63.100 0.068 0.000 0.777 75 P CB 0.638 32.377 31.700 0.065 0.000 0.794 76 D N -1.568 118.841 120.400 0.015 0.000 2.347 76 D HA -0.060 4.596 4.640 0.028 0.000 0.213 76 D C 0.665 177.000 176.300 0.059 0.000 0.985 76 D CA 0.045 54.056 54.000 0.018 0.000 0.879 76 D CB -0.739 40.071 40.800 0.016 0.000 0.919 76 D HN 0.215 nan 8.370 nan 0.000 0.526 77 Y N 1.752 122.036 120.300 -0.026 0.000 2.721 77 Y HA -0.040 4.526 4.550 0.028 0.000 0.329 77 Y C 1.244 177.136 175.900 -0.014 0.000 1.211 77 Y CA 0.167 58.275 58.100 0.012 0.000 1.512 77 Y CB 0.128 38.597 38.460 0.014 0.000 1.249 77 Y HN -0.036 nan 8.280 nan 0.000 0.549 78 L N 3.545 124.487 121.223 -0.469 0.000 4.291 78 L HA -0.388 3.968 4.340 0.028 0.000 0.413 78 L C 0.872 177.609 176.870 -0.222 0.000 1.162 78 L CA 0.845 55.444 54.840 -0.402 0.000 0.961 78 L CB -1.350 40.466 42.059 -0.405 0.000 2.095 78 L HN 0.822 nan 8.230 nan 0.000 0.838 79 N N -0.190 118.421 118.700 -0.149 0.000 2.383 79 N HA 0.020 4.777 4.740 0.028 0.000 0.192 79 N C 0.386 175.837 175.510 -0.099 0.000 1.141 79 N CA 0.786 53.771 53.050 -0.110 0.000 0.851 79 N CB 0.130 38.573 38.487 -0.073 0.000 0.976 79 N HN 0.566 nan 8.380 nan 0.000 0.465 80 T N -4.188 110.293 114.554 -0.122 0.000 2.896 80 T HA 0.385 4.752 4.350 0.028 0.000 0.297 80 T C 0.452 175.065 174.700 -0.145 0.000 1.108 80 T CA -0.759 61.283 62.100 -0.095 0.000 1.004 80 T CB 1.428 70.260 68.868 -0.059 0.000 1.159 80 T HN -0.246 nan 8.240 nan 0.000 0.499 81 N N 0.834 119.479 118.700 -0.092 0.000 2.069 81 N HA -0.100 4.656 4.740 0.028 0.000 0.191 81 N C 1.392 176.828 175.510 -0.123 0.000 1.031 81 N CA 1.759 54.745 53.050 -0.107 0.000 0.852 81 N CB -0.480 38.064 38.487 0.096 0.000 1.018 81 N HN 0.876 nan 8.380 nan 0.000 0.423 82 D N 0.128 120.499 120.400 -0.048 0.000 2.144 82 D HA -0.087 4.570 4.640 0.028 0.000 0.199 82 D C 1.550 177.810 176.300 -0.066 0.000 0.984 82 D CA 1.162 55.146 54.000 -0.027 0.000 0.834 82 D CB 0.150 40.948 40.800 -0.003 0.000 0.955 82 D HN 0.201 nan 8.370 nan 0.000 0.465 83 K N -0.127 120.206 120.400 -0.112 0.000 2.057 83 K HA -0.075 4.262 4.320 0.028 0.000 0.206 83 K C 2.160 178.650 176.600 -0.183 0.000 1.050 83 K CA 0.910 57.112 56.287 -0.141 0.000 0.935 83 K CB 0.072 32.457 32.500 -0.191 0.000 0.715 83 K HN 0.093 nan 8.250 nan 0.000 0.439 84 K N 0.743 120.957 120.400 -0.310 0.000 2.097 84 K HA -0.143 4.193 4.320 0.028 0.000 0.206 84 K C 1.953 178.411 176.600 -0.238 0.000 1.049 84 K CA 1.166 57.189 56.287 -0.440 0.000 0.933 84 K CB -0.173 31.701 32.500 -1.044 0.000 0.717 84 K HN 0.228 nan 8.250 nan 0.000 0.442 85 N N 1.214 119.820 118.700 -0.157 0.000 2.244 85 N HA -0.123 4.634 4.740 0.028 0.000 0.183 85 N C 1.792 177.329 175.510 0.046 0.000 1.016 85 N CA 0.755 53.818 53.050 0.022 0.000 0.866 85 N CB 0.087 38.626 38.487 0.086 0.000 0.980 85 N HN 0.132 nan 8.380 nan 0.000 0.430 86 I N 0.151 120.741 120.570 0.033 0.000 2.315 86 I HA -0.231 3.955 4.170 0.028 0.000 0.248 86 I C 2.097 178.274 176.117 0.099 0.000 1.117 86 I CA 0.751 62.083 61.300 0.053 0.000 1.404 86 I CB -0.357 37.667 38.000 0.039 0.000 1.071 86 I HN 0.091 nan 8.210 nan 0.000 0.419 87 F N 1.549 121.477 119.950 -0.037 0.000 2.095 87 F HA -0.253 4.291 4.527 0.027 0.000 0.298 87 F C 2.271 178.102 175.800 0.052 0.000 1.104 87 F CA 1.745 59.760 58.000 0.024 0.000 1.232 87 F CB -0.212 38.782 39.000 -0.009 0.000 0.987 87 F HN -0.121 nan 8.300 nan 0.000 0.475 88 L N -0.188 121.170 121.223 0.224 0.000 1.989 88 L HA -0.279 4.078 4.340 0.028 0.000 0.211 88 L C 2.650 179.546 176.870 0.043 0.000 1.071 88 L CA 1.277 56.194 54.840 0.128 0.000 0.749 88 L CB -0.825 41.271 42.059 0.062 0.000 0.890 88 L HN 0.193 nan 8.230 nan 0.000 0.431 89 Q N -0.693 119.125 119.800 0.029 0.000 2.124 89 Q HA -0.149 4.207 4.340 0.028 0.000 0.202 89 Q C 2.191 178.184 176.000 -0.011 0.000 0.977 89 Q CA 1.944 57.744 55.803 -0.004 0.000 0.850 89 Q CB -0.833 27.912 28.738 0.011 0.000 0.901 89 Q HN 0.510 nan 8.270 nan 0.000 0.429 90 T N 1.271 115.813 114.554 -0.020 0.000 2.737 90 T HA -0.069 4.298 4.350 0.028 0.000 0.265 90 T C 1.862 176.549 174.700 -0.022 0.000 1.038 90 T CA 1.022 63.103 62.100 -0.032 0.000 1.144 90 T CB -0.041 68.787 68.868 -0.066 0.000 0.866 90 T HN 0.107 nan 8.240 nan 0.000 0.434 91 M N 0.809 120.361 119.600 -0.081 0.000 2.108 91 M HA 0.042 4.539 4.480 0.028 0.000 0.261 91 M C 2.325 178.670 176.300 0.074 0.000 1.066 91 M CA 1.251 56.551 55.300 -0.000 0.000 1.107 91 M CB -1.290 31.271 32.600 -0.066 0.000 1.356 91 M HN 0.266 nan 8.290 nan 0.000 0.406 92 I N -0.235 120.319 120.570 -0.027 0.000 2.208 92 I HA -0.337 3.849 4.170 0.028 0.000 0.245 92 I C 2.566 178.709 176.117 0.044 0.000 1.097 92 I CA 1.332 62.595 61.300 -0.063 0.000 1.363 92 I CB -0.426 37.478 38.000 -0.159 0.000 1.051 92 I HN 0.342 nan 8.210 nan 0.000 0.413 93 K N 1.238 121.670 120.400 0.054 0.000 2.097 93 K HA -0.134 4.203 4.320 0.028 0.000 0.205 93 K C 2.142 178.828 176.600 0.143 0.000 1.050 93 K CA 1.133 57.472 56.287 0.088 0.000 0.938 93 K CB 0.011 32.567 32.500 0.093 0.000 0.718 93 K HN 0.255 nan 8.250 nan 0.000 0.442 94 L N -0.135 121.189 121.223 0.168 0.000 2.093 94 L HA -0.140 4.216 4.340 0.028 0.000 0.208 94 L C 2.210 179.150 176.870 0.115 0.000 1.085 94 L CA 1.002 55.936 54.840 0.158 0.000 0.755 94 L CB -0.448 41.691 42.059 0.134 0.000 0.904 94 L HN 0.127 nan 8.230 nan 0.000 0.435 95 F N 0.592 120.526 119.950 -0.027 0.000 2.171 95 F HA -0.174 4.370 4.527 0.028 0.000 0.300 95 F C 2.531 178.321 175.800 -0.016 0.000 1.090 95 F CA 1.183 59.161 58.000 -0.037 0.000 1.293 95 F CB -0.539 38.432 39.000 -0.049 0.000 1.013 95 F HN 0.141 nan 8.300 nan 0.000 0.486 96 N N 0.023 118.822 118.700 0.165 0.000 2.188 96 N HA -0.174 4.583 4.740 0.028 0.000 0.184 96 N C 2.078 177.628 175.510 0.068 0.000 1.018 96 N CA 0.958 54.061 53.050 0.088 0.000 0.858 96 N CB -0.382 38.138 38.487 0.054 0.000 0.989 96 N HN 0.262 nan 8.380 nan 0.000 0.426 97 R N 1.109 121.651 120.500 0.071 0.000 2.081 97 R HA 0.020 4.377 4.340 0.028 0.000 0.235 97 R C 2.243 178.617 176.300 0.123 0.000 1.131 97 R CA 0.914 57.057 56.100 0.072 0.000 0.960 97 R CB -0.238 30.100 30.300 0.063 0.000 0.856 97 R HN 0.138 nan 8.270 nan 0.000 0.436 98 I N 1.652 122.243 120.570 0.035 0.000 2.163 98 I HA -0.306 3.880 4.170 0.028 0.000 0.243 98 I C 2.119 178.292 176.117 0.094 0.000 1.085 98 I CA 1.850 63.139 61.300 -0.019 0.000 1.347 98 I CB -0.300 37.560 38.000 -0.235 0.000 1.044 98 I HN 0.316 nan 8.210 nan 0.000 0.408 99 K N 0.844 121.280 120.400 0.060 0.000 2.487 99 K HA 0.012 4.348 4.320 0.028 0.000 0.192 99 K C 1.799 178.440 176.600 0.068 0.000 1.027 99 K CA 1.034 57.361 56.287 0.067 0.000 1.054 99 K CB -0.203 32.327 32.500 0.050 0.000 0.824 99 K HN 0.252 nan 8.250 nan 0.000 0.510 100 S N 0.496 116.244 115.700 0.079 0.000 2.500 100 S HA -0.077 4.410 4.470 0.028 0.000 0.239 100 S C 0.261 174.844 174.600 -0.029 0.000 0.989 100 S CA 0.263 58.479 58.200 0.027 0.000 0.951 100 S CB -0.263 62.952 63.200 0.025 0.000 0.759 100 S HN 0.328 nan 8.310 nan 0.000 0.523 101 K N 0.459 120.849 120.400 -0.017 0.000 2.426 101 K HA 0.383 4.719 4.320 0.028 0.000 0.251 101 K C -2.529 174.070 176.600 -0.003 0.000 0.941 101 K CA -2.494 53.719 56.287 -0.123 0.000 0.808 101 K CB 1.941 34.147 32.500 -0.490 0.000 1.265 101 K HN -0.251 nan 8.250 nan 0.000 0.432 102 P HA -0.249 nan 4.420 nan 0.000 0.217 102 P C 1.279 178.629 177.300 0.083 0.000 1.162 102 P CA 1.039 64.154 63.100 0.025 0.000 0.901 102 P CB 0.214 31.914 31.700 0.000 0.000 0.793 103 L N -0.572 120.712 121.223 0.102 0.000 2.042 103 L HA -0.088 4.269 4.340 0.028 0.000 0.210 103 L C 2.229 179.265 176.870 0.278 0.000 1.076 103 L CA 2.544 57.496 54.840 0.187 0.000 0.749 103 L CB -1.571 40.601 42.059 0.188 0.000 0.893 103 L HN -0.035 nan 8.230 nan 0.000 0.432 104 G N -1.523 107.462 108.800 0.308 0.000 2.403 104 G HA2 -0.263 3.713 3.960 0.028 0.000 0.216 104 G HA3 -0.263 3.713 3.960 0.028 0.000 0.216 104 G C 1.494 176.446 174.900 0.086 0.000 1.154 104 G CA 0.623 45.842 45.100 0.199 0.000 0.784 104 G HN 0.537 nan 8.290 nan 0.000 0.538 105 E N 0.426 120.685 120.200 0.098 0.000 2.110 105 E HA -0.115 4.251 4.350 0.028 0.000 0.193 105 E C 2.309 178.934 176.600 0.043 0.000 0.988 105 E CA 0.960 57.391 56.400 0.051 0.000 0.804 105 E CB -0.067 29.662 29.700 0.048 0.000 0.745 105 E HN 0.358 nan 8.360 nan 0.000 0.458 106 K N 0.101 120.557 120.400 0.092 0.000 2.148 106 K HA -0.133 4.204 4.320 0.028 0.000 0.204 106 K C 2.197 178.809 176.600 0.021 0.000 1.050 106 K CA 0.742 57.096 56.287 0.113 0.000 0.942 106 K CB -0.115 32.516 32.500 0.218 0.000 0.724 106 K HN 0.151 nan 8.250 nan 0.000 0.446 107 L N 1.521 122.720 121.223 -0.040 0.000 2.017 107 L HA -0.142 4.214 4.340 0.028 0.000 0.208 107 L C 1.855 178.551 176.870 -0.291 0.000 1.073 107 L CA 1.534 56.116 54.840 -0.429 0.000 0.745 107 L CB -0.364 41.483 42.059 -0.352 0.000 0.894 107 L HN 0.103 nan 8.230 nan 0.000 0.432 108 L N -0.730 120.398 121.223 -0.159 0.000 2.046 108 L HA -0.208 4.149 4.340 0.028 0.000 0.208 108 L C 2.540 179.373 176.870 -0.060 0.000 1.077 108 L CA 1.561 56.338 54.840 -0.105 0.000 0.747 108 L CB -0.588 41.438 42.059 -0.055 0.000 0.896 108 L HN 0.352 nan 8.230 nan 0.000 0.432 109 E N -0.522 119.653 120.200 -0.042 0.000 2.077 109 E HA -0.229 4.138 4.350 0.028 0.000 0.193 109 E C 2.316 178.901 176.600 -0.026 0.000 0.989 109 E CA 1.107 57.495 56.400 -0.021 0.000 0.800 109 E CB -0.047 29.653 29.700 -0.000 0.000 0.746 109 E HN 0.352 nan 8.360 nan 0.000 0.452 110 M N 0.234 119.800 119.600 -0.056 0.000 2.117 110 M HA -0.135 4.362 4.480 0.028 0.000 0.262 110 M C 2.364 178.686 176.300 0.037 0.000 1.065 110 M CA 1.366 56.655 55.300 -0.018 0.000 1.114 110 M CB -0.670 31.828 32.600 -0.170 0.000 1.361 110 M HN 0.170 nan 8.290 nan 0.000 0.408 111 I N -0.160 120.383 120.570 -0.045 0.000 2.226 111 I HA -0.301 3.886 4.170 0.028 0.000 0.245 111 I C 2.314 178.426 176.117 -0.009 0.000 1.100 111 I CA 1.092 62.383 61.300 -0.016 0.000 1.374 111 I CB -0.259 37.703 38.000 -0.063 0.000 1.057 111 I HN 0.193 nan 8.210 nan 0.000 0.413 112 I N 0.684 121.245 120.570 -0.015 0.000 2.252 112 I HA -0.277 3.910 4.170 0.028 0.000 0.245 112 I C 1.875 177.965 176.117 -0.045 0.000 1.102 112 I CA 1.324 62.613 61.300 -0.017 0.000 1.385 112 I CB -0.421 37.570 38.000 -0.016 0.000 1.064 112 I HN 0.320 nan 8.210 nan 0.000 0.414 113 N N 0.813 119.481 118.700 -0.053 0.000 2.422 113 N HA 0.000 4.757 4.740 0.028 0.000 0.181 113 N C 1.340 176.755 175.510 -0.158 0.000 1.080 113 N CA 0.513 53.506 53.050 -0.094 0.000 0.893 113 N CB 0.162 38.608 38.487 -0.068 0.000 0.973 113 N HN 0.267 nan 8.380 nan 0.000 0.456 114 G N 2.236 110.934 108.800 -0.171 0.000 3.455 114 G HA2 0.213 4.189 3.960 0.028 0.000 0.250 114 G HA3 0.213 4.189 3.960 0.028 0.000 0.250 114 G C 0.655 175.374 174.900 -0.302 0.000 1.071 114 G CA -0.446 44.389 45.100 -0.441 0.000 1.812 114 G HN 0.286 nan 8.290 nan 0.000 0.643 115 I N -1.772 118.688 120.570 -0.184 0.000 2.815 115 I HA 0.256 4.443 4.170 0.028 0.000 0.291 115 I C -2.377 173.762 176.117 0.036 0.000 1.209 115 I CA -1.764 59.495 61.300 -0.068 0.000 1.431 115 I CB 0.394 38.329 38.000 -0.108 0.000 1.351 115 I HN -0.089 nan 8.210 nan 0.000 0.585 116 P HA 0.023 nan 4.420 nan 0.000 0.268 116 P C -0.916 176.506 177.300 0.203 0.000 1.205 116 P CA 0.126 63.304 63.100 0.131 0.000 0.771 116 P CB 0.256 32.032 31.700 0.126 0.000 0.858 117 Y N 2.833 123.138 120.300 0.008 0.000 2.550 117 Y HA 0.014 4.580 4.550 0.028 0.000 0.343 117 Y C 0.473 176.356 175.900 -0.028 0.000 1.245 117 Y CA 0.254 58.182 58.100 -0.286 0.000 1.462 117 Y CB 0.150 38.498 38.460 -0.188 0.000 1.340 117 Y HN 0.171 nan 8.280 nan 0.000 0.604 118 L N 6.815 127.697 121.223 -0.568 0.000 2.384 118 L HA 0.376 4.732 4.340 0.028 0.000 0.258 118 L C 0.623 177.491 176.870 -0.002 0.000 1.266 118 L CA 0.338 54.981 54.840 -0.330 0.000 1.162 118 L CB -1.446 40.201 42.059 -0.688 0.000 1.375 118 L HN 0.928 nan 8.230 nan 0.000 0.420 119 G N 1.629 110.507 108.800 0.129 0.000 2.369 119 G HA2 0.187 4.164 3.960 0.028 0.000 0.295 119 G HA3 0.187 4.164 3.960 0.028 0.000 0.295 119 G C -1.920 172.856 174.900 -0.205 0.000 1.298 119 G CA -0.256 44.892 45.100 0.081 0.000 0.940 119 G HN 0.485 nan 8.290 nan 0.000 0.536 120 D N -2.590 117.484 120.400 -0.543 0.000 3.009 120 D HA 0.401 5.058 4.640 0.028 0.000 0.318 120 D C 1.611 177.252 176.300 -1.099 0.000 1.273 120 D CA -0.007 53.206 54.000 -1.310 0.000 1.001 120 D CB -0.086 40.332 40.800 -0.636 0.000 1.411 120 D HN 0.758 nan 8.370 nan 0.000 0.577 121 R N -0.013 120.033 120.500 -0.757 0.000 2.159 121 R HA -0.057 4.300 4.340 0.028 0.000 0.237 121 R C 1.492 177.699 176.300 -0.155 0.000 1.131 121 R CA 1.130 57.106 56.100 -0.206 0.000 0.982 121 R CB -0.438 29.793 30.300 -0.114 0.000 0.868 121 R HN 0.275 nan 8.270 nan 0.000 0.453 122 R N 0.973 121.359 120.500 -0.191 0.000 2.193 122 R HA 0.123 4.480 4.340 0.028 0.000 0.213 122 R C 0.265 176.516 176.300 -0.081 0.000 1.055 122 R CA 0.389 56.416 56.100 -0.121 0.000 0.995 122 R CB 0.154 30.386 30.300 -0.114 0.000 0.893 122 R HN -0.007 nan 8.270 nan 0.000 0.459 123 V N 3.426 123.287 119.914 -0.088 0.000 2.572 123 V HA 0.094 4.231 4.120 0.028 0.000 0.291 123 V C -1.988 174.114 176.094 0.014 0.000 1.039 123 V CA -1.630 60.657 62.300 -0.022 0.000 1.055 123 V CB 0.850 32.685 31.823 0.020 0.000 0.969 123 V HN 0.001 nan 8.190 nan 0.000 0.482 124 P HA 0.119 nan 4.420 nan 0.000 0.267 124 P C 1.055 178.372 177.300 0.028 0.000 1.200 124 P CA -0.067 63.039 63.100 0.011 0.000 0.772 124 P CB 0.474 32.174 31.700 -0.000 0.000 0.855 125 L N 1.639 122.871 121.223 0.016 0.000 2.127 125 L HA -0.206 4.151 4.340 0.028 0.000 0.211 125 L C 1.385 178.253 176.870 -0.004 0.000 1.089 125 L CA 1.762 56.611 54.840 0.014 0.000 0.757 125 L CB -0.755 41.300 42.059 -0.008 0.000 0.899 125 L HN 0.449 nan 8.230 nan 0.000 0.434 126 E N -0.302 119.884 120.200 -0.024 0.000 2.494 126 E HA 0.043 4.410 4.350 0.028 0.000 0.193 126 E C -0.196 176.341 176.600 -0.105 0.000 1.074 126 E CA 0.183 56.547 56.400 -0.061 0.000 0.867 126 E CB 0.191 29.865 29.700 -0.044 0.000 0.924 126 E HN 0.532 nan 8.360 nan 0.000 0.502 127 E N -0.262 119.896 120.200 -0.070 0.000 2.369 127 E HA 0.427 4.794 4.350 0.028 0.000 0.270 127 E C -0.856 175.752 176.600 0.013 0.000 0.909 127 E CA -0.754 55.602 56.400 -0.073 0.000 0.775 127 E CB 1.694 31.394 29.700 -0.001 0.000 1.270 127 E HN -0.036 nan 8.360 nan 0.000 0.445 128 F N 1.500 121.455 119.950 0.008 0.000 2.444 128 F HA 0.352 4.895 4.527 0.028 0.000 0.342 128 F C 0.243 176.015 175.800 -0.047 0.000 1.121 128 F CA -0.949 57.016 58.000 -0.059 0.000 0.997 128 F CB 1.551 40.459 39.000 -0.153 0.000 1.130 128 F HN 0.294 nan 8.300 nan 0.000 0.454 129 N N 1.753 120.549 118.700 0.160 0.000 2.491 129 N HA 0.113 4.870 4.740 0.028 0.000 0.274 129 N C 0.344 175.881 175.510 0.044 0.000 1.023 129 N CA -0.318 52.775 53.050 0.072 0.000 0.902 129 N CB 1.673 40.184 38.487 0.039 0.000 1.267 129 N HN 0.671 nan 8.380 nan 0.000 0.503 130 T N -0.121 114.462 114.554 0.049 0.000 3.081 130 T HA 0.048 4.415 4.350 0.028 0.000 0.255 130 T C 0.802 175.509 174.700 0.012 0.000 1.113 130 T CA 0.233 62.390 62.100 0.094 0.000 1.082 130 T CB -0.181 68.795 68.868 0.181 0.000 0.939 130 T HN 0.312 nan 8.240 nan 0.000 0.506 131 N N 2.406 121.087 118.700 -0.032 0.000 3.111 131 N HA 0.235 4.991 4.740 0.028 0.000 0.302 131 N C -0.364 175.081 175.510 -0.107 0.000 1.317 131 N CA -0.666 52.328 53.050 -0.092 0.000 1.151 131 N CB -0.854 37.578 38.487 -0.092 0.000 1.456 131 N HN 0.774 nan 8.380 nan 0.000 0.547 132 I N -3.991 116.526 120.570 -0.088 0.000 2.769 132 I HA 0.570 4.756 4.170 0.028 0.000 0.298 132 I C 0.767 176.836 176.117 -0.080 0.000 1.128 132 I CA -1.251 59.997 61.300 -0.087 0.000 1.031 132 I CB 1.630 39.592 38.000 -0.062 0.000 1.235 132 I HN -0.183 nan 8.210 nan 0.000 0.423 133 A N 3.074 125.848 122.820 -0.076 0.000 2.131 133 A HA -0.120 4.216 4.320 0.028 0.000 0.220 133 A C 1.936 179.505 177.584 -0.025 0.000 1.158 133 A CA 2.005 54.012 52.037 -0.050 0.000 0.665 133 A CB -0.844 18.154 19.000 -0.004 0.000 0.795 133 A HN 0.951 nan 8.150 nan 0.000 0.460 134 S N -1.940 113.757 115.700 -0.005 0.000 2.575 134 S HA 0.223 4.709 4.470 0.028 0.000 0.215 134 S C 1.137 175.774 174.600 0.061 0.000 0.966 134 S CA 0.673 58.890 58.200 0.029 0.000 0.911 134 S CB 0.281 63.506 63.200 0.041 0.000 0.780 134 S HN 0.201 nan 8.310 nan 0.000 0.514 135 V N 0.554 120.507 119.914 0.065 0.000 2.996 135 V HA 0.241 4.378 4.120 0.028 0.000 0.235 135 V C 0.634 176.847 176.094 0.199 0.000 1.205 135 V CA 0.772 63.163 62.300 0.151 0.000 1.225 135 V CB 0.115 32.031 31.823 0.155 0.000 0.995 135 V HN 0.420 nan 8.190 nan 0.000 0.484 136 T N 0.926 115.513 114.554 0.055 0.000 2.855 136 T HA 0.685 5.051 4.350 0.028 0.000 0.281 136 T C -1.078 173.566 174.700 -0.094 0.000 1.007 136 T CA -0.157 61.903 62.100 -0.066 0.000 1.009 136 T CB 2.524 71.287 68.868 -0.175 0.000 0.983 136 T HN 0.036 nan 8.240 nan 0.000 0.455 137 V N 3.264 123.110 119.914 -0.113 0.000 2.789 137 V HA 0.543 4.680 4.120 0.028 0.000 0.311 137 V C -1.221 174.805 176.094 -0.114 0.000 1.073 137 V CA -0.942 61.295 62.300 -0.105 0.000 0.921 137 V CB 2.220 33.964 31.823 -0.131 0.000 1.009 137 V HN 0.826 nan 8.190 nan 0.000 0.426 138 N N 4.277 122.954 118.700 -0.039 0.000 2.492 138 N HA 0.493 5.250 4.740 0.028 0.000 0.289 138 N C -0.920 174.600 175.510 0.017 0.000 1.133 138 N CA -0.473 52.580 53.050 0.005 0.000 0.961 138 N CB 1.580 40.147 38.487 0.135 0.000 1.186 138 N HN 0.762 nan 8.380 nan 0.000 0.493 139 K N -0.184 120.217 120.400 0.002 0.000 2.316 139 K HA 0.544 4.881 4.320 0.028 0.000 0.251 139 K C -1.079 175.527 176.600 0.011 0.000 0.934 139 K CA -0.900 55.380 56.287 -0.011 0.000 0.802 139 K CB 1.709 34.134 32.500 -0.124 0.000 1.171 139 K HN 0.222 nan 8.250 nan 0.000 0.426 140 L N 3.660 124.839 121.223 -0.073 0.000 2.276 140 L HA 0.247 4.604 4.340 0.028 0.000 0.286 140 L C -0.008 176.748 176.870 -0.191 0.000 1.061 140 L CA -0.246 54.439 54.840 -0.258 0.000 0.807 140 L CB 0.861 42.458 42.059 -0.771 0.000 1.177 140 L HN 0.870 nan 8.230 nan 0.000 0.429 141 I N 1.918 122.404 120.570 -0.140 0.000 2.729 141 I HA 0.082 4.269 4.170 0.028 0.000 0.256 141 I C 1.252 177.302 176.117 -0.112 0.000 1.115 141 I CA 0.842 62.078 61.300 -0.107 0.000 1.446 141 I CB -0.484 37.473 38.000 -0.072 0.000 1.176 141 I HN 0.763 nan 8.210 nan 0.000 0.446 142 S N 2.234 117.866 115.700 -0.113 0.000 2.537 142 S HA -0.086 4.400 4.470 0.028 0.000 0.280 142 S C 0.366 174.900 174.600 -0.111 0.000 1.335 142 S CA -0.373 57.766 58.200 -0.101 0.000 1.025 142 S CB -0.419 62.721 63.200 -0.098 0.000 0.836 142 S HN 0.312 nan 8.310 nan 0.000 0.523 143 N N 2.012 120.661 118.700 -0.085 0.000 2.344 143 N HA 0.146 4.903 4.740 0.028 0.000 0.236 143 N C -2.617 172.838 175.510 -0.092 0.000 1.279 143 N CA -0.735 52.268 53.050 -0.079 0.000 0.882 143 N CB -0.722 37.730 38.487 -0.058 0.000 1.110 143 N HN 0.448 nan 8.380 nan 0.000 0.436 144 P HA 0.032 nan 4.420 nan 0.000 0.264 144 P C 0.775 178.032 177.300 -0.072 0.000 1.183 144 P CA 0.745 63.794 63.100 -0.085 0.000 0.763 144 P CB 0.284 31.944 31.700 -0.068 0.000 0.807 145 G N 1.500 110.255 108.800 -0.075 0.000 2.141 145 G HA2 -0.191 3.786 3.960 0.028 0.000 0.242 145 G HA3 -0.191 3.786 3.960 0.028 0.000 0.242 145 G C -0.326 174.540 174.900 -0.056 0.000 0.982 145 G CA 0.190 45.257 45.100 -0.055 0.000 0.662 145 G HN 0.716 nan 8.290 nan 0.000 0.527 146 E N -1.606 118.546 120.200 -0.080 0.000 2.307 146 E HA 0.475 4.841 4.350 0.028 0.000 0.280 146 E C 0.252 176.787 176.600 -0.107 0.000 0.900 146 E CA -0.594 55.763 56.400 -0.072 0.000 0.790 146 E CB 1.472 31.138 29.700 -0.057 0.000 1.261 146 E HN 0.889 nan 8.360 nan 0.000 0.405 147 V N 0.748 120.612 119.914 -0.083 0.000 3.416 147 V HA 0.041 4.177 4.120 0.028 0.000 0.334 147 V C 1.349 177.413 176.094 -0.051 0.000 1.271 147 V CA 0.904 63.147 62.300 -0.096 0.000 1.274 147 V CB -1.129 30.701 31.823 0.011 0.000 1.153 147 V HN 0.780 nan 8.190 nan 0.000 0.433 148 E N 1.447 121.615 120.200 -0.053 0.000 2.118 148 E HA -0.161 4.205 4.350 0.028 0.000 0.195 148 E C 0.967 177.549 176.600 -0.030 0.000 0.992 148 E CA 1.089 57.470 56.400 -0.033 0.000 0.804 148 E CB -0.142 29.537 29.700 -0.034 0.000 0.741 148 E HN 0.714 nan 8.360 nan 0.000 0.458 149 R N 0.953 121.423 120.500 -0.050 0.000 2.532 149 R HA 0.390 4.746 4.340 0.028 0.000 0.297 149 R C -0.894 175.377 176.300 -0.049 0.000 0.984 149 R CA -0.772 55.304 56.100 -0.041 0.000 0.884 149 R CB 1.810 32.083 30.300 -0.044 0.000 1.182 149 R HN 0.108 nan 8.270 nan 0.000 0.442 150 K N 1.380 121.770 120.400 -0.017 0.000 2.477 150 K HA 0.600 4.937 4.320 0.028 0.000 0.255 150 K C -1.341 175.254 176.600 -0.009 0.000 0.952 150 K CA -1.161 55.124 56.287 -0.004 0.000 0.826 150 K CB 2.620 35.161 32.500 0.069 0.000 1.331 150 K HN 0.209 nan 8.250 nan 0.000 0.437 151 K N 0.253 120.640 120.400 -0.022 0.000 2.375 151 K HA 0.476 4.813 4.320 0.028 0.000 0.249 151 K C -0.792 175.765 176.600 -0.072 0.000 0.942 151 K CA -0.469 55.790 56.287 -0.047 0.000 0.806 151 K CB 2.134 34.603 32.500 -0.051 0.000 1.227 151 K HN 0.845 nan 8.250 nan 0.000 0.430 152 G N 2.737 111.467 108.800 -0.116 0.000 2.425 152 G HA2 0.641 4.618 3.960 0.028 0.000 0.302 152 G HA3 0.641 4.618 3.960 0.028 0.000 0.302 152 G C -0.680 174.073 174.900 -0.246 0.000 1.159 152 G CA -0.643 44.346 45.100 -0.184 0.000 0.865 152 G HN 0.704 nan 8.290 nan 0.000 0.515 153 I N -2.004 118.400 120.570 -0.278 0.000 2.827 153 I HA 0.631 4.817 4.170 0.028 0.000 0.298 153 I C -1.315 174.651 176.117 -0.251 0.000 1.235 153 I CA -1.351 59.798 61.300 -0.251 0.000 1.021 153 I CB 2.230 40.186 38.000 -0.073 0.000 1.259 153 I HN 0.330 nan 8.210 nan 0.000 0.427 154 F N 3.215 123.199 119.950 0.057 0.000 2.375 154 F HA 0.814 5.358 4.527 0.028 0.000 0.333 154 F C 0.761 176.631 175.800 0.117 0.000 1.104 154 F CA -0.282 57.756 58.000 0.064 0.000 1.149 154 F CB 1.760 40.805 39.000 0.075 0.000 1.190 154 F HN 0.768 nan 8.300 nan 0.000 0.533 155 A N 2.254 125.258 122.820 0.307 0.000 2.587 155 A HA 0.570 4.907 4.320 0.028 0.000 0.293 155 A C -0.571 177.138 177.584 0.207 0.000 1.087 155 A CA -0.759 51.450 52.037 0.285 0.000 0.692 155 A CB 1.443 20.595 19.000 0.254 0.000 1.291 155 A HN 0.668 nan 8.150 nan 0.000 0.407 156 N N -0.925 117.889 118.700 0.190 0.000 2.516 156 N HA 0.303 5.059 4.740 0.028 0.000 0.197 156 N C -0.638 174.952 175.510 0.134 0.000 1.064 156 N CA 0.571 53.698 53.050 0.128 0.000 0.866 156 N CB 0.538 39.075 38.487 0.082 0.000 1.255 156 N HN 0.546 nan 8.380 nan 0.000 0.447 157 L N 0.663 121.988 121.223 0.170 0.000 2.493 157 L HA 0.568 4.925 4.340 0.028 0.000 0.265 157 L C -1.869 175.129 176.870 0.214 0.000 0.954 157 L CA -0.476 54.465 54.840 0.169 0.000 0.844 157 L CB 1.823 43.969 42.059 0.145 0.000 1.302 157 L HN -0.062 nan 8.230 nan 0.000 0.405 158 I N 6.190 126.866 120.570 0.177 0.000 2.411 158 I HA 0.434 4.621 4.170 0.028 0.000 0.284 158 I C -0.708 175.488 176.117 0.130 0.000 1.012 158 I CA -0.409 60.961 61.300 0.116 0.000 1.119 158 I CB 1.637 39.638 38.000 0.002 0.000 1.261 158 I HN 0.471 nan 8.210 nan 0.000 0.448 159 I N 6.225 126.871 120.570 0.127 0.000 2.312 159 I HA 0.362 4.549 4.170 0.028 0.000 0.290 159 I C -0.386 175.878 176.117 0.246 0.000 1.008 159 I CA -0.261 61.196 61.300 0.261 0.000 1.226 159 I CB 0.755 38.931 38.000 0.294 0.000 1.371 159 I HN 0.349 nan 8.210 nan 0.000 0.468 160 F N 3.167 123.363 119.950 0.410 0.000 2.461 160 F HA 0.637 5.180 4.527 0.028 0.000 0.337 160 F C 1.288 177.340 175.800 0.420 0.000 1.079 160 F CA -0.251 57.990 58.000 0.402 0.000 1.032 160 F CB 0.612 39.921 39.000 0.516 0.000 1.327 160 F HN 0.371 nan 8.300 nan 0.000 0.491 161 G N -0.095 108.961 108.800 0.428 0.000 2.563 161 G HA2 0.451 4.428 3.960 0.028 0.000 0.283 161 G HA3 0.451 4.428 3.960 0.028 0.000 0.283 161 G C -2.677 172.461 174.900 0.396 0.000 1.309 161 G CA -1.320 43.919 45.100 0.232 0.000 1.022 161 G HN 0.330 nan 8.290 nan 0.000 0.501 162 P HA 0.185 nan 4.420 nan 0.000 0.272 162 P C 0.493 177.878 177.300 0.142 0.000 1.240 162 P CA 0.051 63.248 63.100 0.161 0.000 0.791 162 P CB 0.976 32.682 31.700 0.011 0.000 0.978 163 G N 0.422 109.172 108.800 -0.084 0.000 2.531 163 G HA2 0.274 4.250 3.960 0.028 0.000 0.253 163 G HA3 0.274 4.250 3.960 0.028 0.000 0.253 163 G C -1.715 172.815 174.900 -0.617 0.000 1.439 163 G CA -1.078 43.830 45.100 -0.319 0.000 1.056 163 G HN 0.232 nan 8.290 nan 0.000 0.555 164 P HA -0.066 nan 4.420 nan 0.000 0.216 164 P C 0.495 177.339 177.300 -0.760 0.000 1.154 164 P CA 0.762 63.129 63.100 -1.223 0.000 0.865 164 P CB 0.058 31.123 31.700 -1.059 0.000 0.789 165 V N 1.053 120.493 119.914 -0.791 0.000 2.368 165 V HA 0.056 4.193 4.120 0.028 0.000 0.266 165 V C 1.748 177.553 176.094 -0.483 0.000 1.045 165 V CA 0.022 61.874 62.300 -0.747 0.000 0.899 165 V CB 0.399 31.881 31.823 -0.568 0.000 1.006 165 V HN 0.011 nan 8.190 nan 0.000 0.470 166 L N 3.874 124.829 121.223 -0.447 0.000 2.042 166 L HA -0.139 4.218 4.340 0.028 0.000 0.210 166 L C 2.166 178.902 176.870 -0.223 0.000 1.076 166 L CA 1.525 56.156 54.840 -0.348 0.000 0.749 166 L CB -0.433 41.337 42.059 -0.482 0.000 0.893 166 L HN 0.877 nan 8.230 nan 0.000 0.432 167 N N 0.053 118.658 118.700 -0.158 0.000 2.449 167 N HA -0.098 4.659 4.740 0.028 0.000 0.191 167 N C 0.172 175.620 175.510 -0.103 0.000 1.161 167 N CA 0.272 53.267 53.050 -0.093 0.000 0.863 167 N CB -0.081 38.390 38.487 -0.026 0.000 0.980 167 N HN 0.426 nan 8.380 nan 0.000 0.458 168 E N 1.211 121.322 120.200 -0.148 0.000 2.206 168 E HA 0.176 4.543 4.350 0.028 0.000 0.244 168 E C -0.685 175.859 176.600 -0.093 0.000 1.055 168 E CA -0.533 55.791 56.400 -0.127 0.000 0.970 168 E CB 0.166 29.758 29.700 -0.180 0.000 1.256 168 E HN 0.241 nan 8.360 nan 0.000 0.456 169 N N 2.709 121.397 118.700 -0.020 0.000 2.492 169 N HA 0.060 4.817 4.740 0.028 0.000 0.260 169 N C -0.226 175.337 175.510 0.089 0.000 1.215 169 N CA 0.551 53.650 53.050 0.081 0.000 0.923 169 N CB 1.165 39.777 38.487 0.209 0.000 1.092 169 N HN 0.472 nan 8.380 nan 0.000 0.448 170 E N 0.231 120.485 120.200 0.089 0.000 2.352 170 E HA 0.262 4.629 4.350 0.028 0.000 0.280 170 E C -1.514 175.131 176.600 0.074 0.000 0.930 170 E CA -0.559 55.873 56.400 0.054 0.000 0.765 170 E CB 1.461 31.136 29.700 -0.043 0.000 1.219 170 E HN 0.291 nan 8.360 nan 0.000 0.434 171 T N 3.839 118.436 114.554 0.072 0.000 2.758 171 T HA 0.484 4.850 4.350 0.028 0.000 0.285 171 T C -0.516 174.220 174.700 0.059 0.000 0.981 171 T CA -0.344 61.809 62.100 0.088 0.000 0.965 171 T CB 0.131 69.069 68.868 0.117 0.000 0.927 171 T HN 0.265 nan 8.240 nan 0.000 0.448 172 I N 4.375 125.012 120.570 0.111 0.000 2.493 172 I HA 0.396 4.583 4.170 0.028 0.000 0.298 172 I C 0.113 176.347 176.117 0.195 0.000 0.998 172 I CA -0.782 60.620 61.300 0.170 0.000 1.137 172 I CB 1.654 39.823 38.000 0.282 0.000 1.310 172 I HN 0.596 nan 8.210 nan 0.000 0.445 173 D N 5.497 126.036 120.400 0.232 0.000 2.384 173 D HA 0.468 5.124 4.640 0.028 0.000 0.250 173 D C -0.456 176.101 176.300 0.427 0.000 1.029 173 D CA -0.485 53.680 54.000 0.275 0.000 0.990 173 D CB 1.567 42.515 40.800 0.247 0.000 1.175 173 D HN 0.253 nan 8.370 nan 0.000 0.532 174 I N 0.280 121.061 120.570 0.351 0.000 2.315 174 I HA 0.408 4.594 4.170 0.028 0.000 0.291 174 I C 0.713 176.945 176.117 0.192 0.000 1.006 174 I CA -0.460 61.023 61.300 0.306 0.000 1.265 174 I CB 1.427 39.503 38.000 0.125 0.000 1.387 174 I HN 0.419 nan 8.210 nan 0.000 0.475 175 G N 7.397 116.178 108.800 -0.031 0.000 2.379 175 G HA2 0.777 4.753 3.960 0.028 0.000 0.327 175 G HA3 0.777 4.753 3.960 0.028 0.000 0.327 175 G C -0.801 173.897 174.900 -0.337 0.000 1.145 175 G CA -0.409 44.232 45.100 -0.764 0.000 0.905 175 G HN 0.497 nan 8.290 nan 0.000 0.466 176 I N 1.002 121.393 120.570 -0.299 0.000 2.534 176 I HA 0.259 4.446 4.170 0.028 0.000 0.288 176 I C 0.160 176.209 176.117 -0.114 0.000 1.077 176 I CA -0.506 60.709 61.300 -0.143 0.000 1.051 176 I CB 2.217 40.166 38.000 -0.085 0.000 1.234 176 I HN 0.647 nan 8.210 nan 0.000 0.425 177 Q N 4.806 124.559 119.800 -0.078 0.000 2.468 177 Q HA -0.261 4.096 4.340 0.028 0.000 0.289 177 Q C 0.153 176.159 176.000 0.011 0.000 1.299 177 Q CA 0.969 56.757 55.803 -0.025 0.000 0.838 177 Q CB -1.268 27.468 28.738 -0.004 0.000 1.195 177 Q HN 0.954 nan 8.270 nan 0.000 0.456 178 N N -2.059 116.578 118.700 -0.104 0.000 2.909 178 N HA -0.206 4.550 4.740 0.028 0.000 0.242 178 N C -0.413 174.902 175.510 -0.324 0.000 0.975 178 N CA 0.855 53.806 53.050 -0.166 0.000 0.921 178 N CB -0.608 37.827 38.487 -0.087 0.000 1.112 178 N HN 0.511 nan 8.380 nan 0.000 0.581 179 H N -0.807 118.102 119.070 -0.268 0.000 2.731 179 H HA 0.463 5.036 4.556 0.028 0.000 0.368 179 H C -0.981 174.110 175.328 -0.395 0.000 1.168 179 H CA -0.258 55.689 56.048 -0.168 0.000 1.181 179 H CB 1.048 30.785 29.762 -0.042 0.000 1.743 179 H HN -0.098 nan 8.280 nan 0.000 0.547 180 F N 0.244 120.303 119.950 0.182 0.000 2.434 180 F HA 0.293 4.836 4.527 0.028 0.000 0.355 180 F C 1.128 177.044 175.800 0.192 0.000 1.115 180 F CA -0.564 57.528 58.000 0.153 0.000 1.010 180 F CB 1.532 40.605 39.000 0.121 0.000 1.234 180 F HN 0.682 nan 8.300 nan 0.000 0.439 181 A N 1.592 124.579 122.820 0.279 0.000 1.948 181 A HA -0.206 4.130 4.320 0.028 0.000 0.220 181 A C 2.222 180.042 177.584 0.393 0.000 1.177 181 A CA 2.248 54.468 52.037 0.305 0.000 0.636 181 A CB -0.787 18.299 19.000 0.143 0.000 0.815 181 A HN 0.710 nan 8.150 nan 0.000 0.449 182 S N -0.952 114.953 115.700 0.341 0.000 2.555 182 S HA -0.013 4.474 4.470 0.028 0.000 0.230 182 S C 1.444 176.212 174.600 0.280 0.000 0.978 182 S CA 0.850 59.228 58.200 0.298 0.000 0.934 182 S CB -0.206 63.149 63.200 0.258 0.000 0.766 182 S HN 0.652 nan 8.310 nan 0.000 0.533 183 R N 0.427 121.110 120.500 0.305 0.000 2.437 183 R HA 0.291 4.648 4.340 0.028 0.000 0.257 183 R C 0.217 176.666 176.300 0.250 0.000 0.927 183 R CA 0.144 56.387 56.100 0.238 0.000 1.078 183 R CB 0.349 30.766 30.300 0.195 0.000 1.161 183 R HN 0.505 nan 8.270 nan 0.000 0.529 184 E N -0.143 120.240 120.200 0.305 0.000 2.887 184 E HA 0.205 4.572 4.350 0.028 0.000 0.206 184 E C 0.433 177.079 176.600 0.077 0.000 0.983 184 E CA 0.121 56.674 56.400 0.255 0.000 1.141 184 E CB 1.505 31.431 29.700 0.376 0.000 1.061 184 E HN 0.364 nan 8.360 nan 0.000 0.468 185 G N 0.764 109.641 108.800 0.128 0.000 2.268 185 G HA2 -0.366 3.610 3.960 0.028 0.000 0.240 185 G HA3 -0.366 3.610 3.960 0.028 0.000 0.240 185 G C 0.719 175.526 174.900 -0.156 0.000 1.010 185 G CA 0.300 45.398 45.100 -0.005 0.000 0.618 185 G HN 0.316 nan 8.290 nan 0.000 0.516 186 F N 1.306 121.292 119.950 0.060 0.000 2.118 186 F HA 0.412 4.956 4.527 0.027 0.000 0.293 186 F C 2.077 177.961 175.800 0.140 0.000 1.102 186 F CA 2.033 60.064 58.000 0.051 0.000 1.247 186 F CB -0.465 38.561 39.000 0.043 0.000 1.017 186 F HN 1.167 nan 8.300 nan 0.000 0.475 187 G N -0.712 108.305 108.800 0.361 0.000 2.663 187 G HA2 0.365 4.342 3.960 0.028 0.000 0.686 187 G HA3 0.365 4.342 3.960 0.028 0.000 0.686 187 G C -0.543 174.494 174.900 0.227 0.000 1.288 187 G CA -0.752 44.496 45.100 0.247 0.000 0.836 187 G HN 0.888 nan 8.290 nan 0.000 0.584 188 G N -1.245 107.661 108.800 0.177 0.000 2.632 188 G HA2 0.658 4.634 3.960 0.028 0.000 0.292 188 G HA3 0.658 4.634 3.960 0.028 0.000 0.292 188 G C -0.285 174.690 174.900 0.124 0.000 1.465 188 G CA -0.410 44.780 45.100 0.149 0.000 0.824 188 G HN 1.212 nan 8.290 nan 0.000 0.509 189 I N 1.791 122.421 120.570 0.100 0.000 2.906 189 I HA -0.043 4.144 4.170 0.028 0.000 0.301 189 I C 0.470 176.636 176.117 0.082 0.000 1.221 189 I CA 0.543 61.894 61.300 0.084 0.000 1.435 189 I CB 0.337 38.365 38.000 0.046 0.000 1.345 189 I HN 0.159 nan 8.210 nan 0.000 0.558 190 M N 6.618 126.277 119.600 0.100 0.000 2.472 190 M HA 0.450 4.946 4.480 0.028 0.000 0.331 190 M C -0.394 175.982 176.300 0.127 0.000 1.170 190 M CA -0.438 54.929 55.300 0.113 0.000 1.009 190 M CB 1.681 34.353 32.600 0.119 0.000 1.672 190 M HN 0.525 nan 8.290 nan 0.000 0.453 191 Q N 1.695 121.584 119.800 0.149 0.000 2.458 191 Q HA 0.825 5.182 4.340 0.028 0.000 0.282 191 Q C -1.152 174.995 176.000 0.244 0.000 1.106 191 Q CA -0.760 55.188 55.803 0.241 0.000 0.814 191 Q CB 3.850 32.747 28.738 0.266 0.000 1.425 191 Q HN 0.704 nan 8.270 nan 0.000 0.437 192 M N 1.583 121.385 119.600 0.336 0.000 2.413 192 M HA 0.367 4.864 4.480 0.028 0.000 0.287 192 M C -2.129 174.376 176.300 0.342 0.000 1.186 192 M CA -0.659 54.799 55.300 0.264 0.000 0.927 192 M CB 2.278 35.025 32.600 0.244 0.000 1.715 192 M HN 0.615 nan 8.290 nan 0.000 0.478 193 K N 3.184 123.690 120.400 0.176 0.000 2.265 193 K HA 0.655 4.991 4.320 0.028 0.000 0.267 193 K C -1.844 174.964 176.600 0.346 0.000 0.994 193 K CA -0.493 55.921 56.287 0.211 0.000 0.860 193 K CB 1.748 34.172 32.500 -0.127 0.000 1.099 193 K HN 0.514 nan 8.250 nan 0.000 0.448 194 F N 2.508 122.637 119.950 0.298 0.000 2.588 194 F HA 0.530 5.073 4.527 0.027 0.000 0.310 194 F C -1.709 174.326 175.800 0.391 0.000 1.082 194 F CA -0.927 57.243 58.000 0.283 0.000 0.929 194 F CB 1.990 41.157 39.000 0.278 0.000 1.254 194 F HN 0.808 nan 8.300 nan 0.000 0.455 195 C N 8.675 127.627 119.300 -0.581 0.000 2.432 195 C HA 0.522 4.998 4.460 0.028 0.000 0.334 195 C C -1.754 172.827 174.990 -0.681 0.000 1.155 195 C CA -1.535 57.315 59.018 -0.281 0.000 1.335 195 C CB 1.194 28.829 27.740 -0.174 0.000 1.964 195 C HN 0.745 nan 8.230 nan 0.000 0.444 196 P HA -0.012 nan 4.420 nan 0.000 0.224 196 P C 0.824 178.056 177.300 -0.114 0.000 1.157 196 P CA 1.440 64.420 63.100 -0.198 0.000 0.799 196 P CB 0.617 32.325 31.700 0.013 0.000 0.809 197 E N -0.564 119.600 120.200 -0.059 0.000 2.076 197 E HA -0.059 4.307 4.350 0.028 0.000 0.190 197 E C 0.194 176.560 176.600 -0.390 0.000 0.979 197 E CA 0.888 57.166 56.400 -0.204 0.000 0.807 197 E CB -0.674 28.882 29.700 -0.241 0.000 0.761 197 E HN 0.360 nan 8.360 nan 0.000 0.454 198 Y N 1.000 121.215 120.300 -0.142 0.000 2.676 198 Y HA 0.245 4.812 4.550 0.027 0.000 0.338 198 Y C 0.113 175.933 175.900 -0.133 0.000 1.057 198 Y CA -1.129 56.878 58.100 -0.155 0.000 1.314 198 Y CB 0.224 38.581 38.460 -0.170 0.000 1.164 198 Y HN -0.191 nan 8.280 nan 0.000 0.509 199 V N -0.048 119.848 119.914 -0.029 0.000 2.834 199 V HA 0.711 4.847 4.120 0.028 0.000 0.313 199 V C 0.314 176.429 176.094 0.035 0.000 1.060 199 V CA -1.099 61.211 62.300 0.018 0.000 0.989 199 V CB 1.507 33.377 31.823 0.080 0.000 1.041 199 V HN 0.639 nan 8.190 nan 0.000 0.459 200 S N 2.262 118.002 115.700 0.068 0.000 2.589 200 S HA 0.618 5.105 4.470 0.028 0.000 0.265 200 S C -0.191 174.487 174.600 0.130 0.000 1.342 200 S CA -0.492 57.757 58.200 0.082 0.000 1.005 200 S CB 1.183 64.432 63.200 0.082 0.000 0.909 200 S HN 1.131 nan 8.310 nan 0.000 0.555 201 V N 2.419 122.395 119.914 0.103 0.000 2.735 201 V HA 0.803 4.940 4.120 0.028 0.000 0.310 201 V C -0.711 175.456 176.094 0.122 0.000 1.061 201 V CA -0.791 61.531 62.300 0.036 0.000 0.913 201 V CB 1.278 33.065 31.823 -0.060 0.000 1.005 201 V HN 0.960 nan 8.190 nan 0.000 0.428 202 F N 1.758 121.721 119.950 0.022 0.000 2.645 202 F HA 0.873 5.416 4.527 0.027 0.000 0.310 202 F C -0.984 174.856 175.800 0.066 0.000 1.102 202 F CA -1.249 56.764 58.000 0.021 0.000 0.952 202 F CB 1.944 40.940 39.000 -0.007 0.000 1.326 202 F HN 0.533 nan 8.300 nan 0.000 0.456 203 N N -0.673 118.132 118.700 0.175 0.000 2.369 203 N HA 0.500 5.256 4.740 0.028 0.000 0.287 203 N C -1.511 174.097 175.510 0.165 0.000 1.067 203 N CA -0.507 52.612 53.050 0.115 0.000 0.888 203 N CB 1.166 39.656 38.487 0.006 0.000 1.616 203 N HN 1.096 nan 8.380 nan 0.000 0.482 204 N N 0.403 119.198 118.700 0.158 0.000 2.497 204 N HA 0.514 5.270 4.740 0.028 0.000 0.271 204 N C 1.525 177.075 175.510 0.068 0.000 1.142 204 N CA -0.272 52.855 53.050 0.129 0.000 0.965 204 N CB 0.472 39.021 38.487 0.103 0.000 1.077 204 N HN 0.818 nan 8.380 nan 0.000 0.462 205 V N 0.866 120.843 119.914 0.105 0.000 2.244 205 V HA -0.100 4.036 4.120 0.028 0.000 0.244 205 V C 2.719 178.841 176.094 0.046 0.000 1.042 205 V CA 3.008 65.335 62.300 0.045 0.000 1.006 205 V CB -1.575 30.326 31.823 0.129 0.000 0.641 205 V HN 1.009 nan 8.190 nan 0.000 0.446 206 Q N -0.153 119.700 119.800 0.089 0.000 2.561 206 Q HA 0.305 4.661 4.340 0.028 0.000 0.217 206 Q C 1.231 177.277 176.000 0.076 0.000 0.980 206 Q CA 2.362 58.216 55.803 0.086 0.000 0.927 206 Q CB -1.310 27.486 28.738 0.096 0.000 0.980 206 Q HN 1.237 nan 8.270 nan 0.000 0.525 207 E N -1.666 118.573 120.200 0.066 0.000 2.538 207 E HA 0.755 5.122 4.350 0.028 0.000 0.232 207 E C -0.452 176.185 176.600 0.061 0.000 0.830 207 E CA -0.156 56.289 56.400 0.075 0.000 0.916 207 E CB 0.390 30.143 29.700 0.088 0.000 1.567 207 E HN 1.221 nan 8.360 nan 0.000 0.389 208 N N -1.329 117.426 118.700 0.091 0.000 2.406 208 N HA 0.594 5.351 4.740 0.028 0.000 0.283 208 N C -0.372 175.212 175.510 0.123 0.000 1.074 208 N CA 0.006 53.106 53.050 0.084 0.000 0.916 208 N CB 1.417 39.964 38.487 0.100 0.000 1.639 208 N HN 1.067 nan 8.380 nan 0.000 0.485 209 K N 0.151 120.600 120.400 0.082 0.000 2.243 209 K HA 0.579 4.915 4.320 0.028 0.000 0.232 209 K C 1.492 178.086 176.600 -0.011 0.000 1.237 209 K CA 0.375 56.675 56.287 0.021 0.000 1.161 209 K CB -1.135 31.326 32.500 -0.064 0.000 1.505 209 K HN 2.495 nan 8.250 nan 0.000 0.271 210 G N -0.310 108.512 108.800 0.037 0.000 2.162 210 G HA2 0.120 4.097 3.960 0.028 0.000 0.260 210 G HA3 0.120 4.097 3.960 0.028 0.000 0.260 210 G C 0.833 175.770 174.900 0.061 0.000 0.976 210 G CA 0.794 45.916 45.100 0.036 0.000 0.655 210 G HN 2.332 nan 8.290 nan 0.000 0.533 211 A N -2.455 120.415 122.820 0.082 0.000 2.519 211 A HA 0.394 4.731 4.320 0.028 0.000 0.297 211 A C 0.975 178.621 177.584 0.103 0.000 1.472 211 A CA 2.281 54.380 52.037 0.103 0.000 0.739 211 A CB -1.618 17.438 19.000 0.093 0.000 1.096 211 A HN 2.680 nan 8.150 nan 0.000 0.414 212 S N -1.292 114.474 115.700 0.111 0.000 2.496 212 S HA 0.809 5.296 4.470 0.028 0.000 0.221 212 S C 1.141 175.827 174.600 0.145 0.000 1.260 212 S CA 0.316 58.586 58.200 0.116 0.000 1.181 212 S CB 0.052 63.307 63.200 0.090 0.000 1.136 212 S HN 2.027 nan 8.310 nan 0.000 0.467 213 I N 1.229 121.902 120.570 0.171 0.000 2.113 213 I HA 0.047 4.234 4.170 0.028 0.000 0.238 213 I C 2.089 178.315 176.117 0.180 0.000 1.070 213 I CA 1.914 63.319 61.300 0.175 0.000 1.332 213 I CB -1.625 36.446 38.000 0.119 0.000 1.044 213 I HN 0.796 nan 8.210 nan 0.000 0.402 214 F N 1.398 121.367 119.950 0.032 0.000 2.449 214 F HA -0.038 4.505 4.527 0.027 0.000 0.299 214 F C 1.417 177.237 175.800 0.034 0.000 1.092 214 F CA 1.154 59.171 58.000 0.030 0.000 1.446 214 F CB -0.292 38.724 39.000 0.027 0.000 1.084 214 F HN 0.468 nan 8.300 nan 0.000 0.567 215 N N 0.159 118.920 118.700 0.102 0.000 2.530 215 N HA 0.225 4.982 4.740 0.028 0.000 0.283 215 N C -0.552 174.961 175.510 0.005 0.000 1.238 215 N CA -0.532 52.538 53.050 0.033 0.000 0.971 215 N CB 0.880 39.406 38.487 0.066 0.000 1.195 215 N HN -0.026 nan 8.380 nan 0.000 0.583 216 R N 0.375 120.875 120.500 0.001 0.000 2.537 216 R HA 0.138 4.495 4.340 0.028 0.000 0.280 216 R C 0.095 176.386 176.300 -0.015 0.000 1.058 216 R CA 0.090 56.192 56.100 0.004 0.000 1.057 216 R CB 0.520 30.850 30.300 0.049 0.000 0.973 216 R HN 0.577 nan 8.270 nan 0.000 0.438 217 R N 0.816 121.301 120.500 -0.026 0.000 2.892 217 R HA 0.792 5.148 4.340 0.028 0.000 0.265 217 R C -0.371 175.854 176.300 -0.124 0.000 1.025 217 R CA -0.326 55.741 56.100 -0.056 0.000 0.982 217 R CB 1.578 31.890 30.300 0.021 0.000 1.185 217 R HN 0.697 nan 8.270 nan 0.000 0.484 218 G N -0.298 108.393 108.800 -0.182 0.000 2.655 218 G HA2 -0.072 3.904 3.960 0.028 0.000 0.680 218 G HA3 -0.072 3.904 3.960 0.028 0.000 0.680 218 G C -1.727 172.895 174.900 -0.464 0.000 1.302 218 G CA -0.639 44.334 45.100 -0.213 0.000 0.872 218 G HN 0.493 nan 8.290 nan 0.000 0.540 219 Y N -0.796 119.092 120.300 -0.687 0.000 2.512 219 Y HA 0.686 5.252 4.550 0.027 0.000 0.348 219 Y C 0.585 176.000 175.900 -0.808 0.000 0.990 219 Y CA -0.823 56.783 58.100 -0.823 0.000 1.033 219 Y CB 1.811 39.682 38.460 -0.982 0.000 1.259 219 Y HN 0.758 nan 8.280 nan 0.000 0.461 220 F N -1.135 118.592 119.950 -0.371 0.000 2.397 220 F HA 0.808 5.351 4.527 0.027 0.000 0.331 220 F C 0.141 175.932 175.800 -0.016 0.000 1.090 220 F CA -1.174 56.661 58.000 -0.275 0.000 1.065 220 F CB 0.669 39.411 39.000 -0.431 0.000 1.184 220 F HN 0.264 nan 8.300 nan 0.000 0.499 221 S N 0.569 116.461 115.700 0.319 0.000 2.592 221 S HA 0.047 4.534 4.470 0.028 0.000 0.271 221 S C -0.541 174.327 174.600 0.446 0.000 1.326 221 S CA -0.572 57.846 58.200 0.363 0.000 1.024 221 S CB 0.464 63.839 63.200 0.292 0.000 0.921 221 S HN 0.721 nan 8.310 nan 0.000 0.527 222 D N 2.368 123.021 120.400 0.421 0.000 2.339 222 D HA 0.174 4.831 4.640 0.028 0.000 0.241 222 D C -1.320 175.179 176.300 0.332 0.000 1.183 222 D CA -2.177 52.133 54.000 0.517 0.000 0.859 222 D CB 1.201 42.250 40.800 0.415 0.000 1.067 222 D HN 0.134 nan 8.370 nan 0.000 0.484 223 P HA -0.193 nan 4.420 nan 0.000 0.220 223 P C 0.984 178.443 177.300 0.265 0.000 1.144 223 P CA 0.843 64.086 63.100 0.239 0.000 0.800 223 P CB 0.281 32.055 31.700 0.123 0.000 0.772 224 A N -0.357 122.587 122.820 0.206 0.000 1.968 224 A HA -0.104 4.233 4.320 0.028 0.000 0.217 224 A C 2.190 179.765 177.584 -0.014 0.000 1.169 224 A CA 1.113 53.204 52.037 0.090 0.000 0.638 224 A CB -1.386 17.673 19.000 0.100 0.000 0.812 224 A HN 0.212 nan 8.150 nan 0.000 0.446 225 L N -0.164 121.074 121.223 0.026 0.000 2.131 225 L HA 0.041 4.398 4.340 0.028 0.000 0.206 225 L C 2.104 179.002 176.870 0.046 0.000 1.087 225 L CA 1.362 56.183 54.840 -0.031 0.000 0.767 225 L CB -0.320 41.733 42.059 -0.011 0.000 0.917 225 L HN 0.404 nan 8.230 nan 0.000 0.441 226 I N -1.006 119.647 120.570 0.137 0.000 2.286 226 I HA -0.277 3.909 4.170 0.028 0.000 0.248 226 I C 2.304 178.580 176.117 0.265 0.000 1.115 226 I CA 1.075 62.504 61.300 0.216 0.000 1.392 226 I CB -0.362 37.807 38.000 0.282 0.000 1.065 226 I HN 0.326 nan 8.210 nan 0.000 0.418 227 L N 0.449 121.766 121.223 0.156 0.000 2.056 227 L HA -0.130 4.226 4.340 0.028 0.000 0.207 227 L C 2.381 179.135 176.870 -0.192 0.000 1.078 227 L CA 1.797 56.514 54.840 -0.204 0.000 0.749 227 L CB -0.423 41.362 42.059 -0.456 0.000 0.901 227 L HN 0.134 nan 8.230 nan 0.000 0.433 228 M N -1.690 117.809 119.600 -0.169 0.000 2.374 228 M HA -0.196 4.301 4.480 0.028 0.000 0.264 228 M C 2.183 178.392 176.300 -0.151 0.000 1.067 228 M CA 1.458 56.632 55.300 -0.210 0.000 1.103 228 M CB -0.533 31.918 32.600 -0.249 0.000 1.402 228 M HN 0.444 nan 8.290 nan 0.000 0.444 229 H N 0.712 119.701 119.070 -0.134 0.000 2.326 229 H HA -0.101 4.471 4.556 0.028 0.000 0.301 229 H C 1.908 177.146 175.328 -0.151 0.000 1.081 229 H CA 1.689 57.660 56.048 -0.127 0.000 1.334 229 H CB 0.301 30.052 29.762 -0.019 0.000 1.385 229 H HN 0.172 nan 8.280 nan 0.000 0.504 230 E N 0.566 120.801 120.200 0.057 0.000 2.106 230 E HA -0.104 4.263 4.350 0.028 0.000 0.192 230 E C 2.508 179.069 176.600 -0.066 0.000 0.984 230 E CA 0.657 57.108 56.400 0.085 0.000 0.806 230 E CB -0.204 29.587 29.700 0.153 0.000 0.750 230 E HN 0.550 nan 8.360 nan 0.000 0.458 231 L N 0.469 121.593 121.223 -0.164 0.000 2.131 231 L HA -0.119 4.237 4.340 0.028 0.000 0.210 231 L C 2.430 179.129 176.870 -0.285 0.000 1.092 231 L CA 0.692 55.407 54.840 -0.209 0.000 0.759 231 L CB -0.356 41.538 42.059 -0.276 0.000 0.903 231 L HN 0.093 nan 8.230 nan 0.000 0.435 232 I N -1.175 119.160 120.570 -0.392 0.000 2.252 232 I HA -0.284 3.902 4.170 0.028 0.000 0.245 232 I C 2.620 178.341 176.117 -0.660 0.000 1.102 232 I CA 0.934 61.889 61.300 -0.575 0.000 1.385 232 I CB -0.486 37.155 38.000 -0.597 0.000 1.064 232 I HN 0.312 nan 8.210 nan 0.000 0.414 233 H N 0.253 119.102 119.070 -0.368 0.000 2.353 233 H HA -0.108 4.465 4.556 0.027 0.000 0.300 233 H C 2.500 177.761 175.328 -0.112 0.000 1.090 233 H CA 1.451 57.383 56.048 -0.193 0.000 1.327 233 H CB -0.419 29.299 29.762 -0.073 0.000 1.383 233 H HN 0.152 nan 8.280 nan 0.000 0.508 234 V N 1.265 121.189 119.914 0.016 0.000 2.287 234 V HA -0.239 3.898 4.120 0.028 0.000 0.248 234 V C 2.734 178.837 176.094 0.015 0.000 1.053 234 V CA 1.578 63.896 62.300 0.030 0.000 1.027 234 V CB -0.772 31.053 31.823 0.005 0.000 0.646 234 V HN 0.196 nan 8.190 nan 0.000 0.447 235 L N 0.060 121.218 121.223 -0.108 0.000 2.012 235 L HA -0.234 4.122 4.340 0.028 0.000 0.210 235 L C 2.373 179.307 176.870 0.105 0.000 1.073 235 L CA 2.219 57.012 54.840 -0.077 0.000 0.748 235 L CB -0.940 40.912 42.059 -0.345 0.000 0.891 235 L HN 0.468 nan 8.230 nan 0.000 0.431 236 H N -1.479 117.612 119.070 0.034 0.000 2.387 236 H HA -0.086 4.487 4.556 0.027 0.000 0.299 236 H C 2.063 177.485 175.328 0.157 0.000 1.090 236 H CA 0.661 56.754 56.048 0.075 0.000 1.332 236 H CB -0.284 29.510 29.762 0.054 0.000 1.386 236 H HN 0.548 nan 8.280 nan 0.000 0.516 237 G N 0.546 109.503 108.800 0.261 0.000 2.408 237 G HA2 -0.167 3.809 3.960 0.028 0.000 0.217 237 G HA3 -0.167 3.809 3.960 0.028 0.000 0.217 237 G C 1.634 176.662 174.900 0.212 0.000 1.150 237 G CA 0.363 45.595 45.100 0.219 0.000 0.776 237 G HN 0.218 nan 8.290 nan 0.000 0.542 238 L N -0.982 120.355 121.223 0.189 0.000 2.083 238 L HA -0.035 4.322 4.340 0.028 0.000 0.209 238 L C 2.266 179.154 176.870 0.030 0.000 1.083 238 L CA 0.832 55.731 54.840 0.099 0.000 0.752 238 L CB -0.301 41.785 42.059 0.045 0.000 0.899 238 L HN 0.197 nan 8.230 nan 0.000 0.433 239 Y N 0.111 120.468 120.300 0.096 0.000 2.502 239 Y HA 0.155 4.722 4.550 0.028 0.000 0.295 239 Y C 1.710 177.794 175.900 0.307 0.000 1.193 239 Y CA 0.344 58.521 58.100 0.128 0.000 1.295 239 Y CB -0.378 38.161 38.460 0.133 0.000 1.059 239 Y HN 0.265 nan 8.280 nan 0.000 0.514 240 G N 1.740 110.759 108.800 0.364 0.000 2.249 240 G HA2 -0.315 3.662 3.960 0.028 0.000 0.273 240 G HA3 -0.315 3.662 3.960 0.028 0.000 0.273 240 G C 0.688 175.807 174.900 0.366 0.000 1.036 240 G CA 0.792 46.103 45.100 0.352 0.000 0.824 240 G HN 0.700 nan 8.290 nan 0.000 0.504 241 I N -3.240 117.526 120.570 0.327 0.000 4.009 241 I HA 0.518 4.704 4.170 0.028 0.000 0.331 241 I C 0.978 177.162 176.117 0.111 0.000 1.462 241 I CA -0.317 61.115 61.300 0.220 0.000 1.117 241 I CB 0.508 38.607 38.000 0.165 0.000 1.091 241 I HN 0.035 nan 8.210 nan 0.000 0.410 242 K N 3.170 123.657 120.400 0.145 0.000 3.216 242 K HA 0.203 4.540 4.320 0.028 0.000 0.277 242 K C 0.334 176.965 176.600 0.052 0.000 1.246 242 K CA -0.270 56.073 56.287 0.093 0.000 1.227 242 K CB -0.148 32.432 32.500 0.133 0.000 1.487 242 K HN 0.485 nan 8.250 nan 0.000 0.341 243 V N -1.430 118.518 119.914 0.056 0.000 3.051 243 V HA 0.203 4.339 4.120 0.028 0.000 0.306 243 V C -0.024 176.070 176.094 0.001 0.000 1.083 243 V CA -0.580 61.749 62.300 0.048 0.000 1.104 243 V CB 1.109 32.976 31.823 0.074 0.000 1.027 243 V HN 0.171 nan 8.190 nan 0.000 0.483 244 D N 1.780 122.179 120.400 -0.002 0.000 2.163 244 D HA 0.625 5.281 4.640 0.028 0.000 0.248 244 D C -0.345 175.950 176.300 -0.008 0.000 1.035 244 D CA -0.053 53.931 54.000 -0.028 0.000 0.872 244 D CB 1.512 42.288 40.800 -0.040 0.000 1.183 244 D HN 0.901 nan 8.370 nan 0.000 0.445 245 D N 0.480 120.866 120.400 -0.023 0.000 2.921 245 D HA 0.159 4.816 4.640 0.028 0.000 0.329 245 D C -1.046 175.240 176.300 -0.024 0.000 1.293 245 D CA -0.599 53.396 54.000 -0.008 0.000 0.964 245 D CB 1.287 42.091 40.800 0.006 0.000 1.435 245 D HN 0.157 nan 8.370 nan 0.000 0.548 246 L N 3.170 124.382 121.223 -0.018 0.000 2.615 246 L HA 0.236 4.593 4.340 0.028 0.000 0.271 246 L C -2.029 174.804 176.870 -0.061 0.000 1.183 246 L CA -0.162 54.657 54.840 -0.035 0.000 0.933 246 L CB 0.146 42.189 42.059 -0.026 0.000 1.199 246 L HN 0.156 nan 8.230 nan 0.000 0.487 247 P HA 0.243 nan 4.420 nan 0.000 0.283 247 P C -0.902 176.341 177.300 -0.095 0.000 1.278 247 P CA -0.724 62.333 63.100 -0.072 0.000 0.834 247 P CB 1.318 32.988 31.700 -0.050 0.000 1.150 248 I N 1.800 122.338 120.570 -0.053 0.000 2.337 248 I HA 0.125 4.311 4.170 0.028 0.000 0.291 248 I C 0.468 176.620 176.117 0.059 0.000 1.046 248 I CA -0.466 60.816 61.300 -0.030 0.000 1.324 248 I CB 0.551 38.628 38.000 0.129 0.000 1.409 248 I HN 0.123 nan 8.210 nan 0.000 0.494 249 V N 6.886 126.790 119.914 -0.016 0.000 2.448 249 V HA 0.609 4.746 4.120 0.028 0.000 0.295 249 V C -2.478 173.587 176.094 -0.048 0.000 1.025 249 V CA -2.165 60.137 62.300 0.004 0.000 0.859 249 V CB 1.518 33.316 31.823 -0.040 0.000 0.988 249 V HN 0.507 nan 8.190 nan 0.000 0.431 250 P HA 0.127 nan 4.420 nan 0.000 0.275 250 P C -0.458 176.679 177.300 -0.270 0.000 1.227 250 P CA -0.075 62.792 63.100 -0.389 0.000 0.781 250 P CB 0.863 32.292 31.700 -0.453 0.000 0.906 251 N N 2.420 120.932 118.700 -0.313 0.000 2.518 251 N HA 0.003 4.760 4.740 0.028 0.000 0.266 251 N C 0.220 175.555 175.510 -0.291 0.000 1.196 251 N CA 0.388 53.281 53.050 -0.260 0.000 0.947 251 N CB 0.182 38.484 38.487 -0.308 0.000 1.098 251 N HN 0.374 nan 8.380 nan 0.000 0.450 252 E N 1.699 121.757 120.200 -0.237 0.000 2.846 252 E HA 0.097 4.464 4.350 0.028 0.000 0.211 252 E C 0.263 176.731 176.600 -0.220 0.000 0.975 252 E CA -0.093 56.175 56.400 -0.218 0.000 1.211 252 E CB 0.510 30.133 29.700 -0.127 0.000 1.052 252 E HN 0.553 nan 8.360 nan 0.000 0.487 253 K N 0.750 120.993 120.400 -0.260 0.000 2.365 253 K HA 0.028 4.364 4.320 0.028 0.000 0.199 253 K C 0.574 177.016 176.600 -0.264 0.000 1.045 253 K CA 0.737 56.898 56.287 -0.210 0.000 0.962 253 K CB 0.282 32.682 32.500 -0.166 0.000 0.759 253 K HN -0.140 nan 8.250 nan 0.000 0.469 254 K N 0.341 120.450 120.400 -0.485 0.000 2.267 254 K HA 0.125 4.462 4.320 0.028 0.000 0.246 254 K C 0.662 176.893 176.600 -0.615 0.000 0.954 254 K CA -0.611 55.288 56.287 -0.646 0.000 0.824 254 K CB 1.029 32.725 32.500 -1.341 0.000 1.167 254 K HN -0.071 nan 8.250 nan 0.000 0.431 255 F N 0.562 120.307 119.950 -0.342 0.000 2.408 255 F HA -0.083 4.458 4.527 0.023 0.000 0.300 255 F C 1.108 176.848 175.800 -0.099 0.000 1.090 255 F CA 0.608 58.510 58.000 -0.164 0.000 1.427 255 F CB -0.547 38.433 39.000 -0.035 0.000 1.070 255 F HN 0.415 nan 8.300 nan 0.000 0.549 256 F N -0.544 118.915 119.950 -0.819 0.000 2.727 256 F HA 0.463 5.013 4.527 0.039 0.000 0.302 256 F C 0.413 176.208 175.800 -0.008 0.000 1.097 256 F CA -1.376 56.419 58.000 -0.341 0.000 1.330 256 F CB -1.128 37.664 39.000 -0.347 0.000 1.084 256 F HN -0.138 nan 8.300 nan 0.000 0.578 257 M N 1.983 121.378 119.600 -0.342 0.000 2.216 257 M HA 0.183 4.680 4.480 0.028 0.000 0.356 257 M C 0.161 176.439 176.300 -0.036 0.000 1.205 257 M CA -0.218 54.982 55.300 -0.166 0.000 1.122 257 M CB 1.273 33.615 32.600 -0.429 0.000 1.571 257 M HN 0.206 nan 8.290 nan 0.000 0.464 258 Q N 1.711 121.546 119.800 0.058 0.000 2.304 258 Q HA 0.187 4.544 4.340 0.028 0.000 0.260 258 Q C -1.013 175.022 176.000 0.058 0.000 0.965 258 Q CA -0.018 55.853 55.803 0.114 0.000 0.898 258 Q CB 0.875 29.762 28.738 0.247 0.000 1.196 258 Q HN 0.665 nan 8.270 nan 0.000 0.402 259 S N 2.857 118.626 115.700 0.115 0.000 2.457 259 S HA 0.516 5.003 4.470 0.028 0.000 0.289 259 S C -0.612 174.061 174.600 0.122 0.000 1.163 259 S CA -0.364 57.891 58.200 0.091 0.000 1.078 259 S CB 1.646 64.917 63.200 0.118 0.000 0.987 259 S HN 0.716 nan 8.310 nan 0.000 0.482 260 T N 1.850 116.471 114.554 0.112 0.000 2.762 260 T HA 0.283 4.650 4.350 0.028 0.000 0.301 260 T C -1.684 173.080 174.700 0.107 0.000 1.299 260 T CA -0.779 61.402 62.100 0.135 0.000 1.005 260 T CB 0.975 69.999 68.868 0.261 0.000 1.377 260 T HN 0.446 nan 8.240 nan 0.000 0.504 261 D N 1.451 121.907 120.400 0.093 0.000 2.357 261 D HA 0.484 5.140 4.640 0.028 0.000 0.242 261 D C 0.340 176.702 176.300 0.103 0.000 1.153 261 D CA -0.009 54.035 54.000 0.073 0.000 0.918 261 D CB 0.981 41.815 40.800 0.057 0.000 1.181 261 D HN 0.762 nan 8.370 nan 0.000 0.435 262 A N 1.355 124.214 122.820 0.064 0.000 2.498 262 A HA 0.269 4.605 4.320 0.028 0.000 0.239 262 A C 0.245 177.860 177.584 0.052 0.000 1.068 262 A CA 0.039 52.111 52.037 0.059 0.000 0.766 262 A CB -0.056 18.953 19.000 0.015 0.000 1.003 262 A HN 0.489 nan 8.150 nan 0.000 0.497 263 I N 2.510 123.111 120.570 0.051 0.000 2.355 263 I HA 0.184 4.370 4.170 0.028 0.000 0.288 263 I C 0.070 176.139 176.117 -0.080 0.000 0.999 263 I CA -0.493 60.790 61.300 -0.030 0.000 1.163 263 I CB 1.415 39.372 38.000 -0.073 0.000 1.316 263 I HN 0.595 nan 8.210 nan 0.000 0.454 264 Q N 3.440 123.176 119.800 -0.107 0.000 2.354 264 Q HA 0.288 4.644 4.340 0.028 0.000 0.244 264 Q C 1.055 176.941 176.000 -0.190 0.000 0.969 264 Q CA -0.080 55.648 55.803 -0.124 0.000 0.885 264 Q CB 1.609 30.281 28.738 -0.109 0.000 1.241 264 Q HN 0.847 nan 8.270 nan 0.000 0.461 265 A N 2.013 124.689 122.820 -0.239 0.000 1.978 265 A HA -0.202 4.135 4.320 0.028 0.000 0.220 265 A C 1.725 178.933 177.584 -0.627 0.000 1.170 265 A CA 1.640 53.413 52.037 -0.441 0.000 0.636 265 A CB -0.192 18.508 19.000 -0.500 0.000 0.810 265 A HN 0.785 nan 8.150 nan 0.000 0.448 266 E N 0.478 120.456 120.200 -0.370 0.000 2.153 266 E HA -0.210 4.156 4.350 0.028 0.000 0.194 266 E C 1.730 178.347 176.600 0.028 0.000 0.988 266 E CA 1.512 57.803 56.400 -0.183 0.000 0.811 266 E CB -0.165 29.496 29.700 -0.064 0.000 0.746 266 E HN 0.787 nan 8.360 nan 0.000 0.466 267 E N 0.381 120.579 120.200 -0.003 0.000 2.047 267 E HA -0.123 4.244 4.350 0.028 0.000 0.191 267 E C 2.399 179.017 176.600 0.029 0.000 0.987 267 E CA 0.944 57.403 56.400 0.099 0.000 0.799 267 E CB -0.092 29.565 29.700 -0.072 0.000 0.752 267 E HN 0.273 nan 8.360 nan 0.000 0.449 268 L N 0.188 121.341 121.223 -0.118 0.000 2.141 268 L HA -0.165 4.191 4.340 0.028 0.000 0.209 268 L C 2.372 179.408 176.870 0.276 0.000 1.094 268 L CA 0.767 55.602 54.840 -0.008 0.000 0.763 268 L CB -0.417 41.612 42.059 -0.050 0.000 0.908 268 L HN 0.182 nan 8.230 nan 0.000 0.437 269 Y N 0.517 120.890 120.300 0.121 0.000 2.163 269 Y HA -0.195 4.372 4.550 0.027 0.000 0.288 269 Y C 2.931 178.908 175.900 0.128 0.000 1.136 269 Y CA 1.126 59.315 58.100 0.148 0.000 1.147 269 Y CB -1.435 37.047 38.460 0.036 0.000 0.987 269 Y HN 0.146 nan 8.280 nan 0.000 0.509 270 T N 0.560 115.282 114.554 0.281 0.000 2.699 270 T HA -0.249 4.118 4.350 0.028 0.000 0.268 270 T C 1.749 176.497 174.700 0.080 0.000 1.036 270 T CA 1.689 63.826 62.100 0.061 0.000 1.147 270 T CB -0.721 67.995 68.868 -0.253 0.000 0.862 270 T HN 0.301 nan 8.240 nan 0.000 0.446 271 F N 1.333 121.359 119.950 0.127 0.000 2.163 271 F HA 0.271 4.815 4.527 0.028 0.000 0.297 271 F C 1.579 177.448 175.800 0.116 0.000 1.094 271 F CA 1.063 59.168 58.000 0.174 0.000 1.290 271 F CB -0.575 38.540 39.000 0.191 0.000 1.017 271 F HN 0.392 nan 8.300 nan 0.000 0.483 272 G N -0.155 108.754 108.800 0.181 0.000 2.593 272 G HA2 0.221 4.198 3.960 0.028 0.000 0.237 272 G HA3 0.221 4.198 3.960 0.028 0.000 0.237 272 G C 0.713 175.700 174.900 0.145 0.000 1.312 272 G CA -0.004 45.151 45.100 0.091 0.000 0.896 272 G HN 1.557 nan 8.290 nan 0.000 0.574 273 G N -1.185 107.645 108.800 0.050 0.000 2.550 273 G HA2 -0.047 3.930 3.960 0.028 0.000 0.277 273 G HA3 -0.047 3.930 3.960 0.028 0.000 0.277 273 G C 1.280 176.274 174.900 0.157 0.000 1.190 273 G CA 2.211 47.370 45.100 0.098 0.000 0.971 273 G HN 2.346 nan 8.290 nan 0.000 0.559 274 Q N -0.350 119.564 119.800 0.190 0.000 2.245 274 Q HA 0.085 4.441 4.340 0.028 0.000 0.201 274 Q C 1.715 177.833 176.000 0.197 0.000 0.955 274 Q CA 1.615 57.516 55.803 0.163 0.000 0.870 274 Q CB -0.078 28.735 28.738 0.125 0.000 0.945 274 Q HN 0.559 nan 8.270 nan 0.000 0.461 275 D N 2.118 122.679 120.400 0.267 0.000 2.172 275 D HA -0.140 4.517 4.640 0.028 0.000 0.196 275 D C -0.725 175.734 176.300 0.264 0.000 0.999 275 D CA 1.257 55.422 54.000 0.275 0.000 0.856 275 D CB -1.372 39.609 40.800 0.301 0.000 0.934 275 D HN 0.381 nan 8.370 nan 0.000 0.453 276 P HA 0.000 nan 4.420 nan 0.000 0.222 276 P C 1.189 178.653 177.300 0.274 0.000 1.147 276 P CA 0.937 64.250 63.100 0.355 0.000 0.790 276 P CB 0.097 31.976 31.700 0.299 0.000 0.780 277 S N -0.987 114.842 115.700 0.214 0.000 2.481 277 S HA -0.006 4.480 4.470 0.028 0.000 0.231 277 S C 1.643 176.363 174.600 0.201 0.000 0.996 277 S CA 0.707 59.029 58.200 0.203 0.000 0.942 277 S CB -0.828 62.485 63.200 0.189 0.000 0.768 277 S HN 0.200 nan 8.310 nan 0.000 0.520 278 I N 1.124 121.809 120.570 0.192 0.000 3.111 278 I HA 0.009 4.196 4.170 0.028 0.000 0.272 278 I C -0.206 176.043 176.117 0.220 0.000 1.268 278 I CA 0.476 61.886 61.300 0.184 0.000 1.467 278 I CB 0.074 38.155 38.000 0.135 0.000 1.087 278 I HN 0.164 nan 8.210 nan 0.000 0.467 279 I N 2.166 122.866 120.570 0.217 0.000 2.297 279 I HA 0.068 4.255 4.170 0.028 0.000 0.291 279 I C 1.019 177.275 176.117 0.232 0.000 1.033 279 I CA -0.155 61.268 61.300 0.205 0.000 1.253 279 I CB 0.436 38.563 38.000 0.213 0.000 1.396 279 I HN 0.094 nan 8.210 nan 0.000 0.476 280 T N 4.834 119.521 114.554 0.221 0.000 2.855 280 T HA 0.133 4.499 4.350 0.028 0.000 0.314 280 T C -1.711 173.096 174.700 0.178 0.000 1.077 280 T CA -0.889 61.327 62.100 0.193 0.000 1.095 280 T CB 0.667 69.643 68.868 0.180 0.000 0.987 280 T HN 0.327 nan 8.240 nan 0.000 0.546 281 P HA -0.063 nan 4.420 nan 0.000 0.218 281 P C 1.778 179.137 177.300 0.099 0.000 1.148 281 P CA 0.967 64.151 63.100 0.140 0.000 0.822 281 P CB -0.069 31.713 31.700 0.137 0.000 0.784 282 S N -1.097 114.653 115.700 0.083 0.000 2.348 282 S HA -0.142 4.344 4.470 0.028 0.000 0.221 282 S C 1.925 176.577 174.600 0.088 0.000 1.033 282 S CA 1.952 60.188 58.200 0.061 0.000 1.010 282 S CB -1.425 61.807 63.200 0.053 0.000 0.891 282 S HN 0.259 nan 8.310 nan 0.000 0.442 283 T N 2.063 116.686 114.554 0.116 0.000 2.904 283 T HA -0.062 4.304 4.350 0.028 0.000 0.267 283 T C 1.361 176.173 174.700 0.186 0.000 1.059 283 T CA 1.027 63.201 62.100 0.124 0.000 1.137 283 T CB -0.430 68.501 68.868 0.104 0.000 0.879 283 T HN 0.276 nan 8.240 nan 0.000 0.467 284 D N 1.519 122.062 120.400 0.238 0.000 2.104 284 D HA -0.075 4.582 4.640 0.028 0.000 0.194 284 D C 2.138 178.610 176.300 0.287 0.000 0.994 284 D CA 1.169 55.381 54.000 0.353 0.000 0.830 284 D CB -0.103 40.882 40.800 0.308 0.000 0.959 284 D HN 0.382 nan 8.370 nan 0.000 0.452 285 K N 0.375 120.872 120.400 0.161 0.000 2.217 285 K HA -0.031 4.305 4.320 0.028 0.000 0.202 285 K C 2.207 178.897 176.600 0.149 0.000 1.051 285 K CA 0.593 56.943 56.287 0.106 0.000 0.952 285 K CB -0.046 32.460 32.500 0.011 0.000 0.736 285 K HN -0.059 nan 8.250 nan 0.000 0.453 286 S N 1.403 117.181 115.700 0.130 0.000 2.356 286 S HA -0.105 4.382 4.470 0.028 0.000 0.223 286 S C 1.959 176.635 174.600 0.127 0.000 1.032 286 S CA 0.943 59.206 58.200 0.105 0.000 1.005 286 S CB -0.154 63.095 63.200 0.082 0.000 0.867 286 S HN 0.189 nan 8.310 nan 0.000 0.449 287 I N 0.115 120.790 120.570 0.175 0.000 2.226 287 I HA -0.137 4.050 4.170 0.028 0.000 0.245 287 I C 2.287 178.525 176.117 0.202 0.000 1.100 287 I CA 1.629 63.048 61.300 0.198 0.000 1.374 287 I CB -0.491 37.675 38.000 0.278 0.000 1.057 287 I HN 0.433 nan 8.210 nan 0.000 0.413 288 Y N 2.020 122.348 120.300 0.046 0.000 2.145 288 Y HA -0.322 4.245 4.550 0.028 0.000 0.286 288 Y C 2.193 178.007 175.900 -0.142 0.000 1.145 288 Y CA 1.891 59.850 58.100 -0.235 0.000 1.148 288 Y CB -0.200 38.115 38.460 -0.241 0.000 0.981 288 Y HN 0.189 nan 8.280 nan 0.000 0.507 289 D N 0.156 120.635 120.400 0.132 0.000 2.144 289 D HA -0.155 4.501 4.640 0.028 0.000 0.199 289 D C 1.981 178.243 176.300 -0.063 0.000 0.984 289 D CA 1.441 55.453 54.000 0.020 0.000 0.834 289 D CB -0.205 40.635 40.800 0.068 0.000 0.955 289 D HN 0.413 nan 8.370 nan 0.000 0.465 290 K N 0.333 120.727 120.400 -0.011 0.000 2.057 290 K HA -0.070 4.267 4.320 0.028 0.000 0.207 290 K C 2.179 178.760 176.600 -0.032 0.000 1.049 290 K CA 0.598 56.882 56.287 -0.004 0.000 0.931 290 K CB -0.024 32.500 32.500 0.041 0.000 0.714 290 K HN -0.007 nan 8.250 nan 0.000 0.440 291 V N 1.602 121.481 119.914 -0.058 0.000 2.307 291 V HA -0.231 3.906 4.120 0.028 0.000 0.245 291 V C 2.173 178.129 176.094 -0.231 0.000 1.045 291 V CA 1.383 63.627 62.300 -0.092 0.000 1.024 291 V CB -0.424 31.358 31.823 -0.069 0.000 0.651 291 V HN 0.265 nan 8.190 nan 0.000 0.449 292 L N 0.361 121.363 121.223 -0.369 0.000 2.012 292 L HA -0.204 4.152 4.340 0.028 0.000 0.210 292 L C 2.440 179.103 176.870 -0.345 0.000 1.073 292 L CA 2.306 56.726 54.840 -0.700 0.000 0.748 292 L CB -0.977 40.554 42.059 -0.880 0.000 0.891 292 L HN 0.376 nan 8.230 nan 0.000 0.431 293 Q N -0.216 119.458 119.800 -0.210 0.000 2.124 293 Q HA -0.203 4.153 4.340 0.028 0.000 0.202 293 Q C 2.021 177.974 176.000 -0.078 0.000 0.977 293 Q CA 1.932 57.660 55.803 -0.126 0.000 0.850 293 Q CB -0.390 28.301 28.738 -0.079 0.000 0.901 293 Q HN 0.582 nan 8.270 nan 0.000 0.429 294 N N -0.654 118.033 118.700 -0.022 0.000 2.120 294 N HA -0.117 4.639 4.740 0.028 0.000 0.188 294 N C 1.254 176.803 175.510 0.064 0.000 1.024 294 N CA 1.075 54.137 53.050 0.020 0.000 0.852 294 N CB -0.398 38.162 38.487 0.121 0.000 1.003 294 N HN 0.243 nan 8.380 nan 0.000 0.424 295 F N 1.562 121.423 119.950 -0.149 0.000 2.234 295 F HA 0.049 4.593 4.527 0.028 0.000 0.299 295 F C 2.234 177.902 175.800 -0.220 0.000 1.087 295 F CA 0.530 58.462 58.000 -0.115 0.000 1.340 295 F CB -0.403 38.679 39.000 0.136 0.000 1.031 295 F HN -0.002 nan 8.300 nan 0.000 0.500 296 R N -0.351 120.106 120.500 -0.071 0.000 2.096 296 R HA -0.102 4.254 4.340 0.028 0.000 0.235 296 R C 2.565 178.729 176.300 -0.225 0.000 1.127 296 R CA 1.175 57.164 56.100 -0.186 0.000 0.968 296 R CB -1.069 29.133 30.300 -0.164 0.000 0.861 296 R HN 0.362 nan 8.270 nan 0.000 0.440 297 G N 1.403 110.073 108.800 -0.216 0.000 2.418 297 G HA2 -0.193 3.783 3.960 0.028 0.000 0.217 297 G HA3 -0.193 3.783 3.960 0.028 0.000 0.217 297 G C 1.360 176.044 174.900 -0.359 0.000 1.158 297 G CA 0.389 45.337 45.100 -0.253 0.000 0.771 297 G HN 0.068 nan 8.290 nan 0.000 0.545 298 I N 0.737 121.013 120.570 -0.490 0.000 2.252 298 I HA -0.065 4.121 4.170 0.028 0.000 0.245 298 I C 2.826 178.711 176.117 -0.387 0.000 1.102 298 I CA 0.614 61.548 61.300 -0.611 0.000 1.385 298 I CB -1.170 36.293 38.000 -0.894 0.000 1.064 298 I HN 0.095 nan 8.210 nan 0.000 0.414 299 V N 1.354 120.970 119.914 -0.497 0.000 2.515 299 V HA -0.273 3.863 4.120 0.028 0.000 0.250 299 V C 2.194 178.100 176.094 -0.315 0.000 1.058 299 V CA 2.316 64.202 62.300 -0.690 0.000 1.064 299 V CB -0.353 30.744 31.823 -1.211 0.000 0.675 299 V HN 0.376 nan 8.190 nan 0.000 0.461 300 D N -0.334 119.916 120.400 -0.249 0.000 2.117 300 D HA -0.166 4.490 4.640 0.028 0.000 0.198 300 D C 2.329 178.578 176.300 -0.085 0.000 0.982 300 D CA 1.373 55.289 54.000 -0.140 0.000 0.828 300 D CB -0.131 40.591 40.800 -0.130 0.000 0.967 300 D HN 0.379 nan 8.370 nan 0.000 0.464 301 R N -0.285 120.149 120.500 -0.109 0.000 2.081 301 R HA -0.042 4.314 4.340 0.028 0.000 0.235 301 R C 2.488 178.817 176.300 0.048 0.000 1.131 301 R CA 0.945 57.025 56.100 -0.034 0.000 0.960 301 R CB -0.338 29.919 30.300 -0.073 0.000 0.856 301 R HN 0.297 nan 8.270 nan 0.000 0.436 302 L N 0.849 122.110 121.223 0.063 0.000 2.127 302 L HA -0.187 4.170 4.340 0.028 0.000 0.211 302 L C 1.565 178.550 176.870 0.190 0.000 1.089 302 L CA 1.015 55.928 54.840 0.123 0.000 0.757 302 L CB -0.476 41.551 42.059 -0.053 0.000 0.899 302 L HN 0.265 nan 8.230 nan 0.000 0.434 303 N N 0.171 118.968 118.700 0.162 0.000 2.494 303 N HA -0.077 4.679 4.740 0.028 0.000 0.182 303 N C 1.304 176.859 175.510 0.075 0.000 1.076 303 N CA 0.867 54.015 53.050 0.164 0.000 0.908 303 N CB 0.251 38.794 38.487 0.093 0.000 0.967 303 N HN 0.444 nan 8.380 nan 0.000 0.449 304 K N -0.321 120.102 120.400 0.038 0.000 2.450 304 K HA 0.157 4.494 4.320 0.028 0.000 0.206 304 K C 0.153 176.731 176.600 -0.038 0.000 1.148 304 K CA -0.120 56.167 56.287 0.000 0.000 1.014 304 K CB 1.373 33.866 32.500 -0.012 0.000 0.966 304 K HN -0.148 nan 8.250 nan 0.000 0.566 305 V N 2.605 122.477 119.914 -0.070 0.000 2.557 305 V HA -0.024 4.112 4.120 0.028 0.000 0.301 305 V C 0.607 176.594 176.094 -0.178 0.000 1.026 305 V CA 0.676 62.837 62.300 -0.231 0.000 1.137 305 V CB 0.296 31.809 31.823 -0.516 0.000 0.917 305 V HN 0.248 nan 8.190 nan 0.000 0.484 306 L N 6.116 127.234 121.223 -0.175 0.000 2.766 306 L HA 0.477 4.834 4.340 0.028 0.000 0.241 306 L C 0.217 177.034 176.870 -0.088 0.000 1.080 306 L CA 0.353 55.137 54.840 -0.094 0.000 0.909 306 L CB 1.094 43.121 42.059 -0.053 0.000 1.277 306 L HN 0.540 nan 8.230 nan 0.000 0.510 307 V N -1.146 118.693 119.914 -0.124 0.000 3.242 307 V HA 0.392 4.529 4.120 0.028 0.000 0.298 307 V C -1.933 174.142 176.094 -0.031 0.000 1.352 307 V CA -1.017 61.250 62.300 -0.054 0.000 1.052 307 V CB 2.421 34.231 31.823 -0.021 0.000 1.101 307 V HN 0.090 nan 8.190 nan 0.000 0.446 308 C N 7.158 126.488 119.300 0.051 0.000 2.291 308 C HA 0.524 5.001 4.460 0.028 0.000 0.322 308 C C 1.500 176.521 174.990 0.053 0.000 1.205 308 C CA -0.552 58.526 59.018 0.101 0.000 1.495 308 C CB -0.364 27.465 27.740 0.147 0.000 2.127 308 C HN 0.849 nan 8.230 nan 0.000 0.452 309 I N 4.373 124.966 120.570 0.037 0.000 2.500 309 I HA 0.024 4.211 4.170 0.028 0.000 0.252 309 I C 1.976 178.102 176.117 0.016 0.000 1.142 309 I CA 1.919 63.231 61.300 0.020 0.000 1.451 309 I CB -1.692 36.315 38.000 0.010 0.000 1.093 309 I HN 0.697 nan 8.210 nan 0.000 0.430 310 S N 0.433 116.144 115.700 0.019 0.000 2.423 310 S HA -0.112 4.375 4.470 0.028 0.000 0.231 310 S C 0.684 175.286 174.600 0.003 0.000 1.014 310 S CA 0.785 58.987 58.200 0.004 0.000 0.965 310 S CB -0.425 62.776 63.200 0.001 0.000 0.785 310 S HN 0.603 nan 8.310 nan 0.000 0.495 311 D N 0.870 121.283 120.400 0.021 0.000 2.323 311 D HA 0.425 5.082 4.640 0.028 0.000 0.242 311 D C -2.554 173.767 176.300 0.035 0.000 1.347 311 D CA -2.137 51.877 54.000 0.022 0.000 0.988 311 D CB 1.741 42.562 40.800 0.035 0.000 1.314 311 D HN -0.142 nan 8.370 nan 0.000 0.564 312 P HA -0.068 nan 4.420 nan 0.000 0.221 312 P C 0.890 178.215 177.300 0.041 0.000 1.145 312 P CA 0.771 63.890 63.100 0.031 0.000 0.795 312 P CB 0.202 31.915 31.700 0.021 0.000 0.775 313 N N -0.866 117.860 118.700 0.044 0.000 2.398 313 N HA -0.000 4.756 4.740 0.028 0.000 0.188 313 N C -0.020 175.539 175.510 0.082 0.000 1.122 313 N CA -0.168 52.916 53.050 0.055 0.000 0.866 313 N CB 0.091 38.607 38.487 0.048 0.000 0.970 313 N HN -0.030 nan 8.380 nan 0.000 0.462 314 I N 2.213 122.832 120.570 0.082 0.000 2.517 314 I HA -0.040 4.147 4.170 0.028 0.000 0.285 314 I C 0.458 176.650 176.117 0.125 0.000 1.106 314 I CA 0.075 61.430 61.300 0.092 0.000 1.402 314 I CB 0.309 38.304 38.000 -0.009 0.000 1.399 314 I HN 0.091 nan 8.210 nan 0.000 0.535 315 N N 7.923 126.730 118.700 0.179 0.000 2.402 315 N HA 0.056 4.812 4.740 0.028 0.000 0.252 315 N C 1.055 176.712 175.510 0.244 0.000 1.118 315 N CA -0.376 52.776 53.050 0.171 0.000 0.945 315 N CB 0.752 39.318 38.487 0.132 0.000 1.147 315 N HN 0.340 nan 8.380 nan 0.000 0.495 316 I N 2.794 123.501 120.570 0.228 0.000 2.194 316 I HA -0.319 3.868 4.170 0.028 0.000 0.246 316 I C 1.644 177.943 176.117 0.303 0.000 1.093 316 I CA 1.064 62.553 61.300 0.315 0.000 1.355 316 I CB -0.915 37.201 38.000 0.195 0.000 1.046 316 I HN 0.542 nan 8.210 nan 0.000 0.413 317 N N 0.969 119.787 118.700 0.197 0.000 2.120 317 N HA -0.129 4.628 4.740 0.028 0.000 0.188 317 N C 1.922 177.504 175.510 0.121 0.000 1.024 317 N CA 1.086 54.234 53.050 0.163 0.000 0.852 317 N CB -0.194 38.361 38.487 0.113 0.000 1.003 317 N HN 0.252 nan 8.380 nan 0.000 0.424 318 I N 0.648 121.265 120.570 0.078 0.000 2.208 318 I HA -0.270 3.917 4.170 0.028 0.000 0.245 318 I C 1.907 177.902 176.117 -0.203 0.000 1.097 318 I CA 1.285 62.550 61.300 -0.059 0.000 1.363 318 I CB -1.137 36.806 38.000 -0.094 0.000 1.051 318 I HN 0.100 nan 8.210 nan 0.000 0.413 319 Y N 1.090 121.272 120.300 -0.196 0.000 2.263 319 Y HA -0.142 4.425 4.550 0.028 0.000 0.292 319 Y C 2.595 178.305 175.900 -0.315 0.000 1.130 319 Y CA 1.278 59.089 58.100 -0.481 0.000 1.179 319 Y CB -0.355 37.732 38.460 -0.622 0.000 0.998 319 Y HN 0.107 nan 8.280 nan 0.000 0.532 320 K N -0.055 120.470 120.400 0.208 0.000 2.057 320 K HA -0.165 4.171 4.320 0.028 0.000 0.207 320 K C 1.664 178.334 176.600 0.115 0.000 1.049 320 K CA 1.444 57.886 56.287 0.259 0.000 0.931 320 K CB -0.150 32.544 32.500 0.322 0.000 0.714 320 K HN 0.292 nan 8.250 nan 0.000 0.440 321 N N 1.121 119.867 118.700 0.076 0.000 2.142 321 N HA -0.160 4.597 4.740 0.028 0.000 0.186 321 N C 1.657 177.138 175.510 -0.048 0.000 1.023 321 N CA 1.128 54.212 53.050 0.057 0.000 0.852 321 N CB -0.163 38.341 38.487 0.029 0.000 0.998 321 N HN 0.024 nan 8.380 nan 0.000 0.424 322 K N 0.890 121.160 120.400 -0.217 0.000 2.026 322 K HA 0.059 4.395 4.320 0.028 0.000 0.208 322 K C 1.873 178.333 176.600 -0.234 0.000 1.048 322 K CA 1.135 57.222 56.287 -0.334 0.000 0.929 322 K CB -0.609 31.509 32.500 -0.635 0.000 0.713 322 K HN 0.171 nan 8.250 nan 0.000 0.439 323 F N 0.980 120.894 119.950 -0.059 0.000 2.234 323 F HA -0.121 4.423 4.527 0.028 0.000 0.299 323 F C 2.332 178.124 175.800 -0.013 0.000 1.087 323 F CA 0.898 58.906 58.000 0.013 0.000 1.340 323 F CB -0.106 39.024 39.000 0.217 0.000 1.031 323 F HN 0.095 nan 8.300 nan 0.000 0.500 324 K N 0.850 121.335 120.400 0.143 0.000 2.057 324 K HA -0.269 4.068 4.320 0.028 0.000 0.207 324 K C 1.570 178.190 176.600 0.033 0.000 1.049 324 K CA 2.267 58.617 56.287 0.104 0.000 0.931 324 K CB -0.337 32.265 32.500 0.171 0.000 0.714 324 K HN 0.235 nan 8.250 nan 0.000 0.440 325 D N 0.285 120.692 120.400 0.012 0.000 2.162 325 D HA -0.126 4.530 4.640 0.028 0.000 0.203 325 D C 2.011 178.269 176.300 -0.070 0.000 0.967 325 D CA 0.980 54.974 54.000 -0.009 0.000 0.840 325 D CB 0.139 40.930 40.800 -0.016 0.000 0.972 325 D HN 0.201 nan 8.370 nan 0.000 0.482 326 K N -0.665 119.642 120.400 -0.155 0.000 2.009 326 K HA -0.203 4.134 4.320 0.028 0.000 0.210 326 K C 1.211 177.599 176.600 -0.353 0.000 1.049 326 K CA 1.329 57.432 56.287 -0.306 0.000 0.929 326 K CB -0.266 31.904 32.500 -0.551 0.000 0.714 326 K HN 0.299 nan 8.250 nan 0.000 0.440 327 Y N 0.830 120.902 120.300 -0.379 0.000 2.490 327 Y HA 0.151 4.718 4.550 0.027 0.000 0.281 327 Y C 0.031 175.674 175.900 -0.429 0.000 1.174 327 Y CA -0.187 57.533 58.100 -0.633 0.000 1.295 327 Y CB 0.549 38.037 38.460 -1.619 0.000 1.062 327 Y HN -0.014 nan 8.280 nan 0.000 0.522 328 K N -0.033 120.304 120.400 -0.104 0.000 3.071 328 K HA -0.219 4.117 4.320 0.028 0.000 0.265 328 K C -0.538 176.207 176.600 0.240 0.000 1.060 328 K CA 0.567 56.907 56.287 0.089 0.000 0.767 328 K CB -2.398 30.200 32.500 0.162 0.000 1.241 328 K HN 0.430 nan 8.250 nan 0.000 0.486 329 F N -0.271 119.827 119.950 0.248 0.000 2.403 329 F HA 0.251 4.794 4.527 0.027 0.000 0.320 329 F C 1.690 177.631 175.800 0.234 0.000 1.176 329 F CA -1.035 57.105 58.000 0.232 0.000 1.206 329 F CB 0.661 39.779 39.000 0.198 0.000 1.235 329 F HN -0.086 nan 8.300 nan 0.000 0.565 330 V N -0.765 119.409 119.914 0.433 0.000 2.919 330 V HA 0.646 4.783 4.120 0.028 0.000 0.316 330 V C -0.931 175.331 176.094 0.281 0.000 1.077 330 V CA -0.816 61.663 62.300 0.298 0.000 0.977 330 V CB 1.735 33.680 31.823 0.203 0.000 1.039 330 V HN 0.862 nan 8.190 nan 0.000 0.441 331 E N 1.006 121.312 120.200 0.176 0.000 2.275 331 E HA 0.471 4.838 4.350 0.028 0.000 0.270 331 E C -1.359 175.231 176.600 -0.016 0.000 0.882 331 E CA -0.769 55.641 56.400 0.017 0.000 0.758 331 E CB 2.149 31.775 29.700 -0.123 0.000 1.195 331 E HN 0.871 nan 8.360 nan 0.000 0.419 332 D N 2.065 122.433 120.400 -0.054 0.000 2.393 332 D HA -0.018 4.638 4.640 0.028 0.000 0.246 332 D C 1.035 177.308 176.300 -0.044 0.000 1.275 332 D CA -0.002 53.979 54.000 -0.032 0.000 0.979 332 D CB 0.527 41.309 40.800 -0.030 0.000 1.101 332 D HN 0.433 nan 8.370 nan 0.000 0.505 333 S N -1.348 114.338 115.700 -0.024 0.000 2.500 333 S HA -0.164 4.323 4.470 0.028 0.000 0.239 333 S C 1.020 175.599 174.600 -0.034 0.000 0.989 333 S CA 0.719 58.907 58.200 -0.020 0.000 0.951 333 S CB -0.442 62.754 63.200 -0.008 0.000 0.759 333 S HN 0.481 nan 8.310 nan 0.000 0.523 334 E N 0.723 120.892 120.200 -0.052 0.000 2.415 334 E HA 0.372 4.739 4.350 0.028 0.000 0.197 334 E C 1.347 177.890 176.600 -0.095 0.000 1.007 334 E CA 0.542 56.908 56.400 -0.057 0.000 0.890 334 E CB 0.080 29.752 29.700 -0.048 0.000 0.891 334 E HN 0.572 nan 8.360 nan 0.000 0.496 335 G N 1.001 109.705 108.800 -0.161 0.000 2.148 335 G HA2 -0.261 3.716 3.960 0.028 0.000 0.203 335 G HA3 -0.261 3.716 3.960 0.028 0.000 0.203 335 G C 0.145 174.751 174.900 -0.491 0.000 0.993 335 G CA -0.075 44.843 45.100 -0.304 0.000 0.661 335 G HN 0.089 nan 8.290 nan 0.000 0.518 336 K N 1.111 121.327 120.400 -0.307 0.000 2.316 336 K HA 0.582 4.918 4.320 0.028 0.000 0.289 336 K C -0.097 176.363 176.600 -0.234 0.000 1.070 336 K CA -0.519 55.634 56.287 -0.224 0.000 0.928 336 K CB -0.177 32.266 32.500 -0.096 0.000 1.039 336 K HN 0.261 nan 8.250 nan 0.000 0.480 337 Y N 1.953 122.263 120.300 0.017 0.000 2.310 337 Y HA 0.360 4.926 4.550 0.028 0.000 0.326 337 Y C 0.783 176.635 175.900 -0.081 0.000 1.151 337 Y CA -0.128 57.978 58.100 0.010 0.000 1.195 337 Y CB 1.553 40.034 38.460 0.035 0.000 1.210 337 Y HN 0.708 nan 8.280 nan 0.000 0.483 338 S N 1.515 117.268 115.700 0.089 0.000 2.596 338 S HA 0.638 5.124 4.470 0.028 0.000 0.270 338 S C -1.254 173.336 174.600 -0.016 0.000 1.155 338 S CA -1.055 57.124 58.200 -0.036 0.000 0.827 338 S CB 1.072 64.274 63.200 0.003 0.000 1.130 338 S HN 0.535 nan 8.310 nan 0.000 0.467 339 I N 2.058 122.594 120.570 -0.056 0.000 2.395 339 I HA 0.260 4.446 4.170 0.028 0.000 0.289 339 I C -0.170 176.028 176.117 0.135 0.000 1.023 339 I CA -0.160 61.189 61.300 0.082 0.000 1.350 339 I CB 0.746 38.739 38.000 -0.011 0.000 1.409 339 I HN 0.689 nan 8.210 nan 0.000 0.507 340 D N 6.290 126.832 120.400 0.237 0.000 2.329 340 D HA 0.127 4.784 4.640 0.028 0.000 0.232 340 D C 0.869 177.313 176.300 0.240 0.000 1.088 340 D CA -0.400 53.723 54.000 0.205 0.000 0.835 340 D CB 1.961 42.893 40.800 0.220 0.000 1.078 340 D HN 0.256 nan 8.370 nan 0.000 0.495 341 V N 4.524 124.548 119.914 0.184 0.000 2.332 341 V HA -0.267 3.869 4.120 0.028 0.000 0.248 341 V C 2.056 178.319 176.094 0.282 0.000 1.055 341 V CA 1.738 64.171 62.300 0.221 0.000 1.038 341 V CB -0.440 31.476 31.823 0.154 0.000 0.651 341 V HN 0.544 nan 8.190 nan 0.000 0.450 342 E N 0.942 121.272 120.200 0.217 0.000 2.077 342 E HA -0.170 4.197 4.350 0.028 0.000 0.193 342 E C 2.456 179.191 176.600 0.225 0.000 0.989 342 E CA 1.700 58.220 56.400 0.201 0.000 0.800 342 E CB -0.533 29.258 29.700 0.151 0.000 0.746 342 E HN 0.771 nan 8.360 nan 0.000 0.452 343 S N -0.081 115.763 115.700 0.240 0.000 2.383 343 S HA -0.139 4.348 4.470 0.028 0.000 0.227 343 S C 2.025 176.792 174.600 0.277 0.000 1.026 343 S CA 0.695 59.038 58.200 0.238 0.000 0.981 343 S CB -0.580 62.762 63.200 0.238 0.000 0.818 343 S HN 0.316 nan 8.310 nan 0.000 0.472 344 F N 3.129 123.204 119.950 0.208 0.000 2.134 344 F HA -0.063 4.481 4.527 0.027 0.000 0.299 344 F C 1.904 177.814 175.800 0.183 0.000 1.097 344 F CA 1.868 59.989 58.000 0.202 0.000 1.264 344 F CB -0.544 38.550 39.000 0.157 0.000 1.001 344 F HN 0.090 nan 8.300 nan 0.000 0.479 345 D N 0.611 121.169 120.400 0.263 0.000 2.104 345 D HA -0.241 4.416 4.640 0.028 0.000 0.194 345 D C 2.206 178.599 176.300 0.156 0.000 0.994 345 D CA 1.590 55.734 54.000 0.239 0.000 0.830 345 D CB -0.435 40.551 40.800 0.310 0.000 0.959 345 D HN 0.334 nan 8.370 nan 0.000 0.452 346 K N 0.088 120.589 120.400 0.167 0.000 2.148 346 K HA -0.135 4.202 4.320 0.028 0.000 0.204 346 K C 2.147 178.746 176.600 -0.002 0.000 1.050 346 K CA 0.480 56.881 56.287 0.191 0.000 0.942 346 K CB -0.089 32.545 32.500 0.223 0.000 0.724 346 K HN -0.004 nan 8.250 nan 0.000 0.446 347 L N 0.378 121.569 121.223 -0.052 0.000 2.044 347 L HA -0.144 4.213 4.340 0.028 0.000 0.205 347 L C 2.117 178.810 176.870 -0.296 0.000 1.075 347 L CA 1.632 56.383 54.840 -0.148 0.000 0.747 347 L CB -0.837 41.200 42.059 -0.036 0.000 0.903 347 L HN 0.217 nan 8.230 nan 0.000 0.435 348 Y N 0.677 120.667 120.300 -0.517 0.000 2.097 348 Y HA -0.307 4.260 4.550 0.027 0.000 0.282 348 Y C 2.455 178.071 175.900 -0.474 0.000 1.152 348 Y CA 2.339 60.088 58.100 -0.585 0.000 1.136 348 Y CB -0.189 37.798 38.460 -0.788 0.000 0.975 348 Y HN 0.174 nan 8.280 nan 0.000 0.498 349 K N -0.496 119.773 120.400 -0.218 0.000 2.147 349 K HA -0.137 4.200 4.320 0.028 0.000 0.205 349 K C 2.276 178.497 176.600 -0.632 0.000 1.049 349 K CA 1.430 57.596 56.287 -0.200 0.000 0.936 349 K CB -0.228 32.464 32.500 0.321 0.000 0.722 349 K HN 0.225 nan 8.250 nan 0.000 0.446 350 S N 1.476 116.607 115.700 -0.950 0.000 2.356 350 S HA -0.074 4.413 4.470 0.028 0.000 0.223 350 S C 1.924 176.169 174.600 -0.593 0.000 1.032 350 S CA 1.073 58.527 58.200 -1.244 0.000 1.005 350 S CB -0.187 62.471 63.200 -0.903 0.000 0.867 350 S HN 0.196 nan 8.310 nan 0.000 0.449 351 L N 0.408 121.354 121.223 -0.463 0.000 2.109 351 L HA -0.024 4.332 4.340 0.028 0.000 0.207 351 L C 2.363 179.079 176.870 -0.257 0.000 1.086 351 L CA 0.792 55.473 54.840 -0.265 0.000 0.760 351 L CB -0.384 41.467 42.059 -0.347 0.000 0.910 351 L HN 0.327 nan 8.230 nan 0.000 0.437 352 M N -1.632 117.520 119.600 -0.747 0.000 2.447 352 M HA 0.065 4.561 4.480 0.028 0.000 0.266 352 M C 1.683 177.478 176.300 -0.841 0.000 1.120 352 M CA 1.451 56.151 55.300 -1.001 0.000 1.166 352 M CB -0.377 31.067 32.600 -1.926 0.000 1.349 352 M HN 0.144 nan 8.290 nan 0.000 0.463 353 F N -1.531 118.235 119.950 -0.306 0.000 2.728 353 F HA 0.353 4.896 4.527 0.028 0.000 0.314 353 F C 2.076 177.802 175.800 -0.123 0.000 1.094 353 F CA -0.139 57.748 58.000 -0.188 0.000 1.217 353 F CB -0.231 38.684 39.000 -0.142 0.000 1.056 353 F HN 0.121 nan 8.300 nan 0.000 0.577 354 G N 0.574 109.279 108.800 -0.157 0.000 2.508 354 G HA2 0.002 3.978 3.960 0.028 0.000 0.212 354 G HA3 0.002 3.978 3.960 0.028 0.000 0.212 354 G C 0.149 174.869 174.900 -0.300 0.000 1.206 354 G CA -0.034 44.920 45.100 -0.242 0.000 0.822 354 G HN 0.120 nan 8.290 nan 0.000 0.550 355 F N 2.827 122.684 119.950 -0.155 0.000 2.509 355 F HA 0.411 4.955 4.527 0.027 0.000 0.350 355 F C 0.785 176.495 175.800 -0.151 0.000 1.220 355 F CA -0.273 57.635 58.000 -0.154 0.000 1.151 355 F CB 0.502 39.372 39.000 -0.216 0.000 1.379 355 F HN 0.035 nan 8.300 nan 0.000 0.610 356 T N -1.913 112.645 114.554 0.008 0.000 2.906 356 T HA 0.263 4.630 4.350 0.028 0.000 0.295 356 T C 0.787 175.427 174.700 -0.100 0.000 1.075 356 T CA -0.862 61.211 62.100 -0.045 0.000 1.005 356 T CB 1.988 70.837 68.868 -0.031 0.000 1.136 356 T HN 0.547 nan 8.240 nan 0.000 0.498 357 E N 0.861 120.972 120.200 -0.149 0.000 2.077 357 E HA -0.170 4.197 4.350 0.028 0.000 0.193 357 E C 1.601 178.036 176.600 -0.275 0.000 0.989 357 E CA 1.831 58.128 56.400 -0.172 0.000 0.800 357 E CB -0.387 29.252 29.700 -0.103 0.000 0.746 357 E HN 0.779 nan 8.360 nan 0.000 0.452 358 T N 1.194 115.500 114.554 -0.413 0.000 2.684 358 T HA -0.135 4.232 4.350 0.028 0.000 0.267 358 T C 1.604 176.206 174.700 -0.163 0.000 1.036 358 T CA 1.385 63.276 62.100 -0.349 0.000 1.148 358 T CB -0.296 68.363 68.868 -0.348 0.000 0.863 358 T HN 0.183 nan 8.240 nan 0.000 0.436 359 N N 1.010 119.644 118.700 -0.110 0.000 2.142 359 N HA 0.062 4.819 4.740 0.028 0.000 0.186 359 N C 1.883 177.388 175.510 -0.009 0.000 1.023 359 N CA 0.851 53.872 53.050 -0.048 0.000 0.852 359 N CB -0.388 38.075 38.487 -0.040 0.000 0.998 359 N HN 0.394 nan 8.380 nan 0.000 0.424 360 I N 0.819 121.379 120.570 -0.017 0.000 2.252 360 I HA -0.189 3.997 4.170 0.028 0.000 0.245 360 I C 2.250 178.407 176.117 0.068 0.000 1.102 360 I CA 0.774 62.096 61.300 0.036 0.000 1.385 360 I CB -0.314 37.645 38.000 -0.068 0.000 1.064 360 I HN 0.048 nan 8.210 nan 0.000 0.414 361 A N 0.368 123.173 122.820 -0.025 0.000 1.877 361 A HA -0.241 4.095 4.320 0.028 0.000 0.216 361 A C 2.345 179.964 177.584 0.059 0.000 1.186 361 A CA 1.649 53.679 52.037 -0.013 0.000 0.620 361 A CB -0.529 18.400 19.000 -0.118 0.000 0.822 361 A HN 0.352 nan 8.150 nan 0.000 0.443 362 E N 0.316 120.535 120.200 0.031 0.000 2.077 362 E HA -0.230 4.137 4.350 0.028 0.000 0.193 362 E C 1.868 178.521 176.600 0.088 0.000 0.989 362 E CA 1.669 58.102 56.400 0.056 0.000 0.800 362 E CB -0.387 29.324 29.700 0.019 0.000 0.746 362 E HN 0.643 nan 8.360 nan 0.000 0.452 363 N N -0.839 117.926 118.700 0.108 0.000 2.188 363 N HA -0.158 4.598 4.740 0.028 0.000 0.184 363 N C 1.249 176.792 175.510 0.055 0.000 1.018 363 N CA 1.032 54.133 53.050 0.084 0.000 0.858 363 N CB -0.187 38.370 38.487 0.117 0.000 0.989 363 N HN 0.106 nan 8.380 nan 0.000 0.426 364 Y N 0.605 120.914 120.300 0.016 0.000 2.466 364 Y HA 0.287 4.854 4.550 0.028 0.000 0.272 364 Y C 0.165 176.102 175.900 0.062 0.000 1.169 364 Y CA 0.067 58.182 58.100 0.025 0.000 1.285 364 Y CB 0.038 38.509 38.460 0.018 0.000 1.078 364 Y HN -0.077 nan 8.280 nan 0.000 0.523 365 K N 0.470 120.995 120.400 0.209 0.000 3.096 365 K HA -0.210 4.126 4.320 0.028 0.000 0.266 365 K C -0.750 176.082 176.600 0.386 0.000 1.043 365 K CA 0.480 56.932 56.287 0.275 0.000 0.758 365 K CB -1.970 30.625 32.500 0.158 0.000 1.260 365 K HN 0.311 nan 8.250 nan 0.000 0.481 366 I N 0.857 121.575 120.570 0.245 0.000 2.404 366 I HA 0.191 4.377 4.170 0.028 0.000 0.293 366 I C 0.427 176.447 176.117 -0.162 0.000 0.992 366 I CA -0.840 60.541 61.300 0.135 0.000 1.149 366 I CB 1.650 39.724 38.000 0.123 0.000 1.315 366 I HN 0.046 nan 8.210 nan 0.000 0.446 367 K N 3.955 124.110 120.400 -0.407 0.000 2.218 367 K HA 0.470 4.807 4.320 0.028 0.000 0.276 367 K C -0.474 175.995 176.600 -0.218 0.000 1.022 367 K CA -0.001 55.886 56.287 -0.668 0.000 0.946 367 K CB 1.323 33.267 32.500 -0.926 0.000 1.000 367 K HN 0.678 nan 8.250 nan 0.000 0.468 368 T N 1.289 115.597 114.554 -0.410 0.000 2.778 368 T HA 0.338 4.705 4.350 0.028 0.000 0.293 368 T C -1.307 172.673 174.700 -1.199 0.000 1.144 368 T CA -0.965 60.652 62.100 -0.805 0.000 1.010 368 T CB 0.768 69.383 68.868 -0.422 0.000 1.325 368 T HN 0.752 nan 8.240 nan 0.000 0.515 369 R N 1.409 121.118 120.500 -1.319 0.000 2.643 369 R HA 0.554 4.911 4.340 0.028 0.000 0.270 369 R C 1.152 177.376 176.300 -0.126 0.000 1.061 369 R CA 0.244 55.929 56.100 -0.691 0.000 1.107 369 R CB 0.193 30.224 30.300 -0.448 0.000 0.999 369 R HN 0.627 nan 8.270 nan 0.000 0.460 370 A N 1.812 124.604 122.820 -0.046 0.000 1.969 370 A HA -0.074 4.263 4.320 0.028 0.000 0.218 370 A C 1.009 178.687 177.584 0.157 0.000 1.169 370 A CA 1.545 53.616 52.037 0.057 0.000 0.635 370 A CB -0.062 18.957 19.000 0.032 0.000 0.810 370 A HN 0.833 nan 8.150 nan 0.000 0.445 371 S N -4.603 111.069 115.700 -0.047 0.000 2.588 371 S HA 0.412 4.899 4.470 0.028 0.000 0.269 371 S C 0.195 174.365 174.600 -0.717 0.000 1.157 371 S CA -0.200 57.845 58.200 -0.257 0.000 0.824 371 S CB 0.312 63.458 63.200 -0.090 0.000 1.126 371 S HN 0.372 nan 8.310 nan 0.000 0.464 372 Y N 2.635 122.297 120.300 -1.064 0.000 2.181 372 Y HA 0.180 4.746 4.550 0.027 0.000 0.288 372 Y C 0.309 175.708 175.900 -0.835 0.000 1.146 372 Y CA 1.613 59.082 58.100 -1.051 0.000 1.164 372 Y CB -0.031 37.850 38.460 -0.965 0.000 0.982 372 Y HN 0.589 nan 8.280 nan 0.000 0.515 373 F N 1.828 121.566 119.950 -0.354 0.000 2.605 373 F HA 0.274 4.819 4.527 0.030 0.000 0.352 373 F C 0.079 175.581 175.800 -0.497 0.000 1.236 373 F CA -0.199 57.546 58.000 -0.425 0.000 1.267 373 F CB -0.240 38.509 39.000 -0.419 0.000 1.632 373 F HN -0.094 nan 8.300 nan 0.000 0.639 374 S N -0.566 114.929 115.700 -0.341 0.000 2.540 374 S HA 0.418 4.904 4.470 0.028 0.000 0.275 374 S C -1.060 173.497 174.600 -0.072 0.000 1.123 374 S CA -1.292 56.727 58.200 -0.301 0.000 0.907 374 S CB 1.671 64.726 63.200 -0.242 0.000 1.081 374 S HN 0.141 nan 8.310 nan 0.000 0.476 375 D N 2.759 123.260 120.400 0.168 0.000 2.525 375 D HA 0.217 4.873 4.640 0.028 0.000 0.235 375 D C 0.377 176.715 176.300 0.063 0.000 1.137 375 D CA 0.674 54.758 54.000 0.141 0.000 0.868 375 D CB 0.751 41.667 40.800 0.193 0.000 1.180 375 D HN 0.701 nan 8.370 nan 0.000 0.465 376 S N 1.706 117.422 115.700 0.027 0.000 2.480 376 S HA 0.601 5.087 4.470 0.028 0.000 0.286 376 S C 0.155 174.779 174.600 0.040 0.000 1.180 376 S CA -0.941 57.266 58.200 0.012 0.000 1.075 376 S CB 1.101 64.283 63.200 -0.029 0.000 0.996 376 S HN 0.314 nan 8.310 nan 0.000 0.487 377 L N 2.234 123.484 121.223 0.045 0.000 2.335 377 L HA 0.636 4.992 4.340 0.028 0.000 0.268 377 L C -2.098 174.789 176.870 0.029 0.000 1.016 377 L CA -2.842 52.022 54.840 0.039 0.000 0.805 377 L CB 0.915 42.993 42.059 0.031 0.000 1.311 377 L HN 0.467 nan 8.230 nan 0.000 0.456 378 P HA 0.183 nan 4.420 nan 0.000 0.275 378 P C -2.677 174.620 177.300 -0.005 0.000 1.227 378 P CA -1.232 61.880 63.100 0.020 0.000 0.781 378 P CB 0.267 31.981 31.700 0.023 0.000 0.906 379 P HA 0.093 nan 4.420 nan 0.000 0.274 379 P C -0.379 176.878 177.300 -0.071 0.000 1.246 379 P CA -0.117 62.968 63.100 -0.025 0.000 0.795 379 P CB 0.799 32.501 31.700 0.003 0.000 1.006 380 V N -2.530 117.318 119.914 -0.111 0.000 3.074 380 V HA 0.620 4.756 4.120 0.028 0.000 0.314 380 V C -0.402 175.560 176.094 -0.219 0.000 1.117 380 V CA -1.139 61.068 62.300 -0.155 0.000 1.014 380 V CB 2.033 33.697 31.823 -0.264 0.000 1.057 380 V HN 0.501 nan 8.190 nan 0.000 0.438 381 K N 2.255 122.497 120.400 -0.263 0.000 2.235 381 K HA 0.506 4.843 4.320 0.028 0.000 0.266 381 K C -1.001 175.395 176.600 -0.340 0.000 0.980 381 K CA -0.806 55.181 56.287 -0.500 0.000 0.849 381 K CB 1.362 33.517 32.500 -0.576 0.000 1.098 381 K HN 0.706 nan 8.250 nan 0.000 0.445 382 I N 5.202 125.572 120.570 -0.333 0.000 2.416 382 I HA 0.020 4.206 4.170 0.028 0.000 0.288 382 I C 1.401 177.432 176.117 -0.144 0.000 1.051 382 I CA 0.200 61.389 61.300 -0.185 0.000 1.375 382 I CB 1.070 39.041 38.000 -0.049 0.000 1.407 382 I HN 0.743 nan 8.210 nan 0.000 0.516 383 K N 3.802 124.148 120.400 -0.090 0.000 1.991 383 K HA -0.153 4.183 4.320 0.028 0.000 0.212 383 K C 0.616 177.202 176.600 -0.023 0.000 1.049 383 K CA 1.483 57.734 56.287 -0.059 0.000 0.932 383 K CB 0.014 32.486 32.500 -0.046 0.000 0.717 383 K HN 0.489 nan 8.250 nan 0.000 0.441 384 N N -0.305 118.401 118.700 0.010 0.000 2.793 384 N HA 0.097 4.854 4.740 0.028 0.000 0.251 384 N C -0.039 175.487 175.510 0.026 0.000 1.308 384 N CA -0.061 52.999 53.050 0.017 0.000 0.781 384 N CB 0.610 39.114 38.487 0.029 0.000 1.439 384 N HN -0.062 nan 8.380 nan 0.000 0.562 385 L N 1.838 123.038 121.223 -0.038 0.000 2.265 385 L HA -0.009 4.348 4.340 0.028 0.000 0.215 385 L C 1.615 178.498 176.870 0.023 0.000 1.117 385 L CA 1.024 55.789 54.840 -0.124 0.000 0.782 385 L CB -0.030 41.852 42.059 -0.295 0.000 0.914 385 L HN 0.514 nan 8.230 nan 0.000 0.441 386 L N -0.892 120.349 121.223 0.030 0.000 2.599 386 L HA 0.016 4.372 4.340 0.028 0.000 0.230 386 L C 0.466 177.373 176.870 0.062 0.000 1.141 386 L CA -0.007 54.864 54.840 0.051 0.000 0.877 386 L CB -0.351 41.727 42.059 0.033 0.000 1.009 386 L HN 0.131 nan 8.230 nan 0.000 0.447 387 D N 0.336 120.781 120.400 0.074 0.000 2.396 387 D HA 0.029 4.686 4.640 0.028 0.000 0.225 387 D C 0.800 177.155 176.300 0.092 0.000 1.121 387 D CA -0.139 53.906 54.000 0.073 0.000 0.853 387 D CB 0.678 41.520 40.800 0.071 0.000 1.043 387 D HN -0.058 nan 8.370 nan 0.000 0.500 388 N N 2.680 121.422 118.700 0.069 0.000 2.585 388 N HA -0.172 4.584 4.740 0.028 0.000 0.188 388 N C 1.139 176.687 175.510 0.063 0.000 1.102 388 N CA 0.408 53.493 53.050 0.059 0.000 0.920 388 N CB 0.315 38.822 38.487 0.034 0.000 0.963 388 N HN 0.557 nan 8.380 nan 0.000 0.447 389 E N 0.477 120.722 120.200 0.074 0.000 2.371 389 E HA 0.032 4.399 4.350 0.028 0.000 0.194 389 E C 1.434 178.105 176.600 0.119 0.000 1.012 389 E CA 0.629 57.076 56.400 0.078 0.000 0.860 389 E CB 0.130 29.869 29.700 0.066 0.000 0.811 389 E HN 0.156 nan 8.360 nan 0.000 0.502 390 I N -0.854 119.810 120.570 0.156 0.000 3.718 390 I HA 0.156 4.342 4.170 0.028 0.000 0.297 390 I C -0.251 176.063 176.117 0.328 0.000 1.220 390 I CA 0.306 61.760 61.300 0.257 0.000 1.381 390 I CB 0.030 38.188 38.000 0.263 0.000 1.238 390 I HN 0.002 nan 8.210 nan 0.000 0.448 391 Y N 1.669 121.981 120.300 0.021 0.000 2.401 391 Y HA 0.417 4.983 4.550 0.027 0.000 0.330 391 Y C -0.122 175.728 175.900 -0.083 0.000 1.071 391 Y CA -0.995 57.020 58.100 -0.140 0.000 1.049 391 Y CB 1.398 39.667 38.460 -0.319 0.000 1.239 391 Y HN 0.027 nan 8.280 nan 0.000 0.437 392 T N 2.413 116.719 114.554 -0.412 0.000 2.930 392 T HA 0.456 4.822 4.350 0.028 0.000 0.290 392 T C 0.945 175.414 174.700 -0.386 0.000 1.052 392 T CA -0.745 61.198 62.100 -0.262 0.000 1.017 392 T CB 1.458 70.243 68.868 -0.139 0.000 1.137 392 T HN 0.637 nan 8.240 nan 0.000 0.511 393 I N 0.494 120.959 120.570 -0.175 0.000 2.226 393 I HA -0.125 4.061 4.170 0.028 0.000 0.245 393 I C 2.425 178.476 176.117 -0.110 0.000 1.100 393 I CA 1.377 62.608 61.300 -0.115 0.000 1.374 393 I CB -0.256 37.724 38.000 -0.032 0.000 1.057 393 I HN 0.705 nan 8.210 nan 0.000 0.413 394 E N 0.886 121.025 120.200 -0.101 0.000 2.028 394 E HA -0.180 4.187 4.350 0.028 0.000 0.191 394 E C 1.616 178.166 176.600 -0.085 0.000 0.988 394 E CA 1.285 57.638 56.400 -0.078 0.000 0.799 394 E CB -0.045 29.617 29.700 -0.064 0.000 0.755 394 E HN 0.487 nan 8.360 nan 0.000 0.447 395 E N -0.779 119.349 120.200 -0.119 0.000 2.562 395 E HA 0.272 4.638 4.350 0.028 0.000 0.214 395 E C 0.844 177.355 176.600 -0.148 0.000 0.979 395 E CA 0.117 56.464 56.400 -0.087 0.000 1.002 395 E CB 1.022 30.695 29.700 -0.045 0.000 1.048 395 E HN 0.238 nan 8.360 nan 0.000 0.488 396 G N 1.799 110.346 108.800 -0.421 0.000 2.591 396 G HA2 -0.392 3.584 3.960 0.028 0.000 0.298 396 G HA3 -0.392 3.584 3.960 0.028 0.000 0.298 396 G C 0.554 175.164 174.900 -0.483 0.000 1.195 396 G CA 0.572 45.173 45.100 -0.832 0.000 0.989 396 G HN 0.283 nan 8.290 nan 0.000 0.551 397 F N 1.643 121.657 119.950 0.107 0.000 2.335 397 F HA 0.175 4.718 4.527 0.028 0.000 0.296 397 F C 1.815 177.700 175.800 0.142 0.000 1.091 397 F CA 0.711 58.858 58.000 0.244 0.000 1.399 397 F CB 0.041 39.258 39.000 0.361 0.000 1.067 397 F HN 0.121 nan 8.300 nan 0.000 0.520 398 N N 2.202 121.069 118.700 0.278 0.000 3.103 398 N HA 0.127 4.883 4.740 0.028 0.000 0.305 398 N C -0.487 175.082 175.510 0.097 0.000 1.232 398 N CA 0.322 53.480 53.050 0.182 0.000 1.190 398 N CB -0.330 38.266 38.487 0.181 0.000 1.461 398 N HN 0.232 nan 8.380 nan 0.000 0.538 399 I N 1.069 121.698 120.570 0.098 0.000 2.363 399 I HA -0.051 4.136 4.170 0.028 0.000 0.292 399 I C 1.696 177.839 176.117 0.044 0.000 1.075 399 I CA -0.231 61.101 61.300 0.054 0.000 1.333 399 I CB 0.615 38.654 38.000 0.064 0.000 1.415 399 I HN 0.249 nan 8.210 nan 0.000 0.502 400 S N 3.031 118.744 115.700 0.022 0.000 2.399 400 S HA -0.246 4.241 4.470 0.028 0.000 0.231 400 S C 1.602 176.212 174.600 0.016 0.000 1.022 400 S CA 1.283 59.491 58.200 0.013 0.000 0.983 400 S CB -0.227 62.972 63.200 -0.001 0.000 0.803 400 S HN 0.793 nan 8.310 nan 0.000 0.480 401 D N 1.764 122.175 120.400 0.017 0.000 2.218 401 D HA -0.114 4.543 4.640 0.028 0.000 0.204 401 D C 1.424 177.740 176.300 0.027 0.000 0.976 401 D CA 1.124 55.135 54.000 0.018 0.000 0.853 401 D CB -0.257 40.553 40.800 0.017 0.000 0.939 401 D HN 0.489 nan 8.370 nan 0.000 0.481 402 K N 0.008 120.431 120.400 0.039 0.000 2.437 402 K HA 0.057 4.393 4.320 0.028 0.000 0.205 402 K C -0.229 176.398 176.600 0.046 0.000 1.026 402 K CA 0.229 56.545 56.287 0.048 0.000 1.153 402 K CB 0.384 32.925 32.500 0.069 0.000 0.863 402 K HN -0.010 nan 8.250 nan 0.000 0.502 403 D N 1.082 121.502 120.400 0.034 0.000 2.689 403 D HA -0.197 4.459 4.640 0.028 0.000 0.237 403 D C -0.055 176.267 176.300 0.037 0.000 1.148 403 D CA 0.886 54.903 54.000 0.028 0.000 0.656 403 D CB -0.544 40.270 40.800 0.025 0.000 1.050 403 D HN 0.264 nan 8.370 nan 0.000 0.426 404 M N -0.369 119.259 119.600 0.047 0.000 2.625 404 M HA 0.142 4.639 4.480 0.028 0.000 0.396 404 M C 1.224 177.558 176.300 0.056 0.000 1.174 404 M CA -0.292 55.047 55.300 0.065 0.000 0.898 404 M CB 0.927 33.590 32.600 0.105 0.000 1.450 404 M HN 0.032 nan 8.290 nan 0.000 0.522 405 E N 1.825 122.036 120.200 0.018 0.000 2.140 405 E HA 0.095 4.461 4.350 0.028 0.000 0.191 405 E C 0.165 176.711 176.600 -0.089 0.000 0.973 405 E CA 0.945 57.337 56.400 -0.013 0.000 0.829 405 E CB 0.517 30.205 29.700 -0.021 0.000 0.781 405 E HN 0.229 nan 8.360 nan 0.000 0.466 406 K N 1.280 121.634 120.400 -0.076 0.000 2.401 406 K HA 0.022 4.359 4.320 0.028 0.000 0.278 406 K C -0.283 176.237 176.600 -0.133 0.000 1.018 406 K CA 0.522 56.738 56.287 -0.118 0.000 0.981 406 K CB 0.426 32.892 32.500 -0.058 0.000 0.933 406 K HN 0.111 nan 8.250 nan 0.000 0.477 407 E N 1.535 121.592 120.200 -0.239 0.000 2.660 407 E HA -0.289 4.078 4.350 0.028 0.000 0.260 407 E C -1.018 175.592 176.600 0.017 0.000 1.122 407 E CA 0.736 57.050 56.400 -0.144 0.000 0.755 407 E CB -1.767 27.953 29.700 0.034 0.000 1.345 407 E HN 0.703 nan 8.360 nan 0.000 0.421 408 Y N -2.719 117.636 120.300 0.091 0.000 3.491 408 Y HA -0.329 4.237 4.550 0.028 0.000 0.215 408 Y C 1.575 177.572 175.900 0.163 0.000 1.219 408 Y CA 1.023 59.192 58.100 0.115 0.000 1.485 408 Y CB -2.032 36.471 38.460 0.072 0.000 1.450 408 Y HN 0.201 nan 8.280 nan 0.000 0.603 409 R N 0.150 120.759 120.500 0.182 0.000 2.152 409 R HA -0.118 4.239 4.340 0.028 0.000 0.232 409 R C 2.419 178.773 176.300 0.090 0.000 1.117 409 R CA 1.209 57.382 56.100 0.121 0.000 0.981 409 R CB -0.440 29.906 30.300 0.077 0.000 0.870 409 R HN 0.636 nan 8.270 nan 0.000 0.451 410 G N 0.097 108.976 108.800 0.132 0.000 2.471 410 G HA2 -0.235 3.741 3.960 0.028 0.000 0.219 410 G HA3 -0.235 3.741 3.960 0.028 0.000 0.219 410 G C 1.101 175.978 174.900 -0.038 0.000 1.125 410 G CA 0.259 45.458 45.100 0.164 0.000 0.775 410 G HN 0.359 nan 8.290 nan 0.000 0.548 411 Q N -0.382 119.284 119.800 -0.224 0.000 2.282 411 Q HA 0.106 4.462 4.340 0.028 0.000 0.206 411 Q C 0.373 175.806 176.000 -0.945 0.000 0.878 411 Q CA -0.487 54.727 55.803 -0.982 0.000 0.944 411 Q CB 0.393 28.885 28.738 -0.410 0.000 1.100 411 Q HN 0.262 nan 8.270 nan 0.000 0.509 412 N N 1.767 120.187 118.700 -0.467 0.000 2.420 412 N HA -0.005 4.751 4.740 0.028 0.000 0.262 412 N C 0.323 175.656 175.510 -0.295 0.000 1.144 412 N CA 0.354 52.995 53.050 -0.682 0.000 0.952 412 N CB 0.855 39.063 38.487 -0.466 0.000 1.081 412 N HN 0.073 nan 8.380 nan 0.000 0.480 413 K N 2.614 122.829 120.400 -0.308 0.000 2.209 413 K HA -0.103 4.233 4.320 0.028 0.000 0.204 413 K C 1.519 178.195 176.600 0.126 0.000 1.048 413 K CA 1.430 57.720 56.287 0.004 0.000 0.940 413 K CB 0.110 32.508 32.500 -0.171 0.000 0.729 413 K HN 0.606 nan 8.250 nan 0.000 0.451 414 A N 0.505 123.303 122.820 -0.037 0.000 2.072 414 A HA 0.017 4.353 4.320 0.028 0.000 0.216 414 A C 1.891 179.489 177.584 0.022 0.000 1.156 414 A CA 0.825 52.863 52.037 0.002 0.000 0.701 414 A CB -0.151 18.827 19.000 -0.036 0.000 0.816 414 A HN 0.132 nan 8.150 nan 0.000 0.458 415 I N -1.334 119.242 120.570 0.011 0.000 2.729 415 I HA 0.021 4.207 4.170 0.028 0.000 0.256 415 I C 0.838 177.002 176.117 0.079 0.000 1.115 415 I CA 0.434 61.754 61.300 0.033 0.000 1.446 415 I CB 0.015 38.022 38.000 0.012 0.000 1.176 415 I HN 0.182 nan 8.210 nan 0.000 0.446 416 N N 1.651 120.438 118.700 0.145 0.000 3.271 416 N HA 0.102 4.858 4.740 0.028 0.000 0.303 416 N C 0.720 176.360 175.510 0.215 0.000 1.415 416 N CA 0.100 53.268 53.050 0.196 0.000 1.159 416 N CB 0.135 38.780 38.487 0.264 0.000 1.432 416 N HN 0.098 nan 8.380 nan 0.000 0.521 417 K N -0.255 120.177 120.400 0.053 0.000 2.211 417 K HA -0.131 4.206 4.320 0.028 0.000 0.203 417 K C 1.701 178.103 176.600 -0.331 0.000 1.050 417 K CA 0.903 57.045 56.287 -0.242 0.000 0.945 417 K CB 0.197 32.576 32.500 -0.201 0.000 0.732 417 K HN 0.487 nan 8.250 nan 0.000 0.451 418 Q N 0.267 119.993 119.800 -0.123 0.000 2.364 418 Q HA -0.065 4.291 4.340 0.028 0.000 0.207 418 Q C 1.629 177.583 176.000 -0.077 0.000 0.970 418 Q CA 1.474 57.221 55.803 -0.093 0.000 0.888 418 Q CB -0.149 28.581 28.738 -0.013 0.000 0.951 418 Q HN 0.253 nan 8.270 nan 0.000 0.469 419 A N 0.159 122.952 122.820 -0.045 0.000 2.132 419 A HA 0.195 4.532 4.320 0.028 0.000 0.213 419 A C 0.583 178.082 177.584 -0.142 0.000 1.154 419 A CA 0.474 52.513 52.037 0.003 0.000 0.753 419 A CB -0.110 18.965 19.000 0.126 0.000 0.826 419 A HN 0.557 nan 8.150 nan 0.000 0.469 420 Y N -3.206 116.881 120.300 -0.355 0.000 2.715 420 Y HA 0.810 5.377 4.550 0.028 0.000 0.331 420 Y C -0.924 174.819 175.900 -0.262 0.000 1.197 420 Y CA -1.597 56.253 58.100 -0.416 0.000 1.079 420 Y CB 0.797 38.821 38.460 -0.726 0.000 1.298 420 Y HN -0.001 nan 8.280 nan 0.000 0.477 421 E N 0.797 120.931 120.200 -0.111 0.000 2.314 421 E HA 0.242 4.609 4.350 0.028 0.000 0.272 421 E C -1.259 175.363 176.600 0.036 0.000 0.884 421 E CA -1.147 55.182 56.400 -0.119 0.000 0.753 421 E CB 2.200 31.837 29.700 -0.106 0.000 1.213 421 E HN 0.513 nan 8.360 nan 0.000 0.432 422 E N 1.463 121.682 120.200 0.032 0.000 2.392 422 E HA 0.244 4.611 4.350 0.028 0.000 0.256 422 E C -0.073 176.524 176.600 -0.006 0.000 1.145 422 E CA 0.092 56.518 56.400 0.043 0.000 0.929 422 E CB 0.915 30.636 29.700 0.035 0.000 0.998 422 E HN 0.401 nan 8.360 nan 0.000 0.442 423 I N 0.685 121.237 120.570 -0.030 0.000 2.498 423 I HA 0.033 4.219 4.170 0.028 0.000 0.301 423 I C 0.705 176.841 176.117 0.031 0.000 0.984 423 I CA -0.581 60.685 61.300 -0.056 0.000 1.204 423 I CB 1.657 39.514 38.000 -0.239 0.000 1.362 423 I HN 0.267 nan 8.210 nan 0.000 0.471 424 S N 5.049 120.817 115.700 0.114 0.000 2.509 424 S HA 0.022 4.509 4.470 0.028 0.000 0.287 424 S C 1.241 175.877 174.600 0.061 0.000 1.248 424 S CA -0.361 57.882 58.200 0.071 0.000 1.089 424 S CB 0.281 63.501 63.200 0.034 0.000 0.900 424 S HN 0.461 nan 8.310 nan 0.000 0.496 425 K N 4.279 124.692 120.400 0.021 0.000 2.286 425 K HA -0.131 4.205 4.320 0.028 0.000 0.203 425 K C 1.649 178.257 176.600 0.012 0.000 1.045 425 K CA 1.438 57.746 56.287 0.035 0.000 0.935 425 K CB -0.191 32.318 32.500 0.016 0.000 0.737 425 K HN 0.766 nan 8.250 nan 0.000 0.460 426 E N -0.337 119.806 120.200 -0.095 0.000 2.204 426 E HA -0.165 4.201 4.350 0.028 0.000 0.195 426 E C 1.186 177.728 176.600 -0.096 0.000 0.990 426 E CA 1.001 57.306 56.400 -0.158 0.000 0.821 426 E CB -0.144 29.376 29.700 -0.300 0.000 0.750 426 E HN 0.603 nan 8.360 nan 0.000 0.477 427 H N -0.800 118.361 119.070 0.151 0.000 2.539 427 H HA 0.195 4.768 4.556 0.028 0.000 0.269 427 H C 0.055 175.528 175.328 0.240 0.000 0.980 427 H CA -0.490 55.654 56.048 0.161 0.000 1.152 427 H CB 0.375 30.267 29.762 0.218 0.000 1.407 427 H HN -0.042 nan 8.280 nan 0.000 0.564 428 L N 1.261 122.667 121.223 0.305 0.000 2.307 428 L HA 0.590 4.947 4.340 0.028 0.000 0.282 428 L C -0.058 176.931 176.870 0.198 0.000 1.051 428 L CA -0.971 54.032 54.840 0.272 0.000 0.804 428 L CB 1.446 43.623 42.059 0.198 0.000 1.197 428 L HN 0.097 nan 8.230 nan 0.000 0.431 429 A N 3.528 126.486 122.820 0.230 0.000 2.343 429 A HA 0.824 5.160 4.320 0.028 0.000 0.316 429 A C -1.025 176.654 177.584 0.157 0.000 1.104 429 A CA -0.475 51.666 52.037 0.174 0.000 0.768 429 A CB 1.726 20.856 19.000 0.218 0.000 1.213 429 A HN 0.399 nan 8.150 nan 0.000 0.456 430 V N 2.412 122.397 119.914 0.119 0.000 2.668 430 V HA 0.226 4.362 4.120 0.028 0.000 0.304 430 V C -1.123 175.052 176.094 0.135 0.000 1.071 430 V CA -0.577 61.796 62.300 0.121 0.000 0.894 430 V CB 1.632 33.506 31.823 0.086 0.000 1.008 430 V HN 0.848 nan 8.190 nan 0.000 0.425 431 Y N 5.439 125.756 120.300 0.028 0.000 2.605 431 Y HA 0.380 4.947 4.550 0.028 0.000 0.336 431 Y C 0.292 176.194 175.900 0.004 0.000 1.111 431 Y CA -0.001 58.107 58.100 0.012 0.000 1.422 431 Y CB 0.281 38.752 38.460 0.018 0.000 1.193 431 Y HN 0.575 nan 8.280 nan 0.000 0.526 432 K N 6.655 126.800 120.400 -0.425 0.000 2.267 432 K HA 0.528 4.865 4.320 0.028 0.000 0.246 432 K C -1.347 174.915 176.600 -0.562 0.000 0.954 432 K CA -1.055 54.990 56.287 -0.403 0.000 0.824 432 K CB 1.975 34.355 32.500 -0.199 0.000 1.167 432 K HN 0.448 nan 8.250 nan 0.000 0.431 433 I N 2.474 122.794 120.570 -0.417 0.000 2.330 433 I HA 0.160 4.346 4.170 0.028 0.000 0.289 433 I C -0.144 175.817 176.117 -0.259 0.000 1.001 433 I CA -0.305 60.789 61.300 -0.342 0.000 1.193 433 I CB 1.286 39.117 38.000 -0.283 0.000 1.345 433 I HN 0.631 nan 8.210 nan 0.000 0.461 434 Q N 7.011 126.672 119.800 -0.232 0.000 2.349 434 Q HA 0.396 4.752 4.340 0.028 0.000 0.254 434 Q C -0.859 174.982 176.000 -0.264 0.000 0.980 434 Q CA -0.397 55.267 55.803 -0.230 0.000 0.924 434 Q CB 0.832 29.444 28.738 -0.209 0.000 1.209 434 Q HN 0.536 nan 8.270 nan 0.000 0.445 435 M N 3.827 123.269 119.600 -0.263 0.000 2.151 435 M HA 0.286 4.782 4.480 0.028 0.000 0.349 435 M C -0.987 175.116 176.300 -0.329 0.000 1.284 435 M CA -0.512 54.618 55.300 -0.282 0.000 1.173 435 M CB 0.492 32.966 32.600 -0.209 0.000 1.469 435 M HN 0.535 nan 8.290 nan 0.000 0.439 436 C N 3.072 122.085 119.300 -0.478 0.000 2.341 436 C HA 0.449 4.926 4.460 0.028 0.000 0.338 436 C C 0.638 175.422 174.990 -0.344 0.000 1.257 436 C CA -1.055 57.654 59.018 -0.516 0.000 1.883 436 C CB 0.912 28.096 27.740 -0.927 0.000 2.334 436 C HN 0.734 nan 8.230 nan 0.000 0.524 437 K N 1.285 121.592 120.400 -0.154 0.000 2.118 437 K HA 0.299 4.636 4.320 0.028 0.000 0.264 437 K C 0.397 177.067 176.600 0.115 0.000 1.000 437 K CA 0.028 56.306 56.287 -0.016 0.000 0.929 437 K CB 0.787 33.279 32.500 -0.014 0.000 1.021 437 K HN 0.792 nan 8.250 nan 0.000 0.463 438 S N 0.880 116.678 115.700 0.162 0.000 4.051 438 S HA 0.204 4.691 4.470 0.028 0.000 0.215 438 S C 0.075 174.732 174.600 0.095 0.000 1.289 438 S CA -0.649 57.657 58.200 0.175 0.000 0.907 438 S CB -0.803 62.453 63.200 0.092 0.000 1.603 438 S HN 0.293 nan 8.310 nan 0.000 0.453 444 I N 1.730 122.265 120.570 -0.057 0.000 2.529 444 I HA 0.653 4.839 4.170 0.028 0.000 0.284 444 I C 0.057 176.096 176.117 -0.130 0.000 1.082 444 I CA -0.744 60.509 61.300 -0.078 0.000 1.406 444 I CB 0.429 38.392 38.000 -0.062 0.000 1.405 444 I HN 0.516 nan 8.210 nan 0.000 0.548 445 C N 7.315 126.521 119.300 -0.158 0.000 2.563 445 C HA 0.640 5.117 4.460 0.028 0.000 0.314 445 C C -0.171 174.649 174.990 -0.285 0.000 1.199 445 C CA -1.016 57.868 59.018 -0.223 0.000 1.564 445 C CB 0.817 28.428 27.740 -0.214 0.000 2.173 445 C HN 0.605 nan 8.230 nan 0.000 0.485 446 I N 2.119 122.483 120.570 -0.344 0.000 2.465 446 I HA 0.297 4.483 4.170 0.028 0.000 0.291 446 I C -0.907 175.029 176.117 -0.302 0.000 1.014 446 I CA -0.148 60.863 61.300 -0.482 0.000 1.093 446 I CB 1.591 39.205 38.000 -0.644 0.000 1.267 446 I HN 0.553 nan 8.210 nan 0.000 0.431 447 D N 5.631 125.890 120.400 -0.234 0.000 2.256 447 D HA 0.433 5.089 4.640 0.028 0.000 0.250 447 D C -0.606 175.620 176.300 -0.123 0.000 1.093 447 D CA 0.021 53.922 54.000 -0.164 0.000 0.882 447 D CB 2.314 43.047 40.800 -0.111 0.000 1.185 447 D HN 0.043 nan 8.370 nan 0.000 0.437 448 V N 2.925 122.750 119.914 -0.148 0.000 2.525 448 V HA 0.119 4.256 4.120 0.028 0.000 0.299 448 V C -0.315 175.704 176.094 -0.124 0.000 1.034 448 V CA -1.077 61.156 62.300 -0.112 0.000 0.863 448 V CB 2.043 33.727 31.823 -0.232 0.000 0.999 448 V HN 0.380 nan 8.190 nan 0.000 0.423 449 D N 3.021 123.396 120.400 -0.041 0.000 2.488 449 D HA -0.034 4.623 4.640 0.028 0.000 0.238 449 D C 1.163 177.442 176.300 -0.034 0.000 1.138 449 D CA 0.419 54.400 54.000 -0.032 0.000 0.873 449 D CB 0.758 41.577 40.800 0.033 0.000 1.183 449 D HN 0.652 nan 8.370 nan 0.000 0.458 450 N N 1.937 120.611 118.700 -0.043 0.000 2.137 450 N HA -0.223 4.534 4.740 0.028 0.000 0.190 450 N C 1.036 176.607 175.510 0.102 0.000 1.017 450 N CA 1.466 54.534 53.050 0.030 0.000 0.859 450 N CB 0.178 38.794 38.487 0.215 0.000 1.002 450 N HN 0.320 nan 8.380 nan 0.000 0.428 451 E N -0.077 120.186 120.200 0.105 0.000 2.204 451 E HA -0.119 4.248 4.350 0.028 0.000 0.195 451 E C 1.033 177.708 176.600 0.125 0.000 0.990 451 E CA 1.038 57.508 56.400 0.117 0.000 0.821 451 E CB -0.110 29.646 29.700 0.094 0.000 0.750 451 E HN 0.459 nan 8.360 nan 0.000 0.477 452 D N -0.094 120.375 120.400 0.115 0.000 2.347 452 D HA -0.008 4.648 4.640 0.028 0.000 0.215 452 D C 0.606 177.022 176.300 0.194 0.000 0.976 452 D CA 0.331 54.416 54.000 0.142 0.000 0.884 452 D CB 0.114 41.026 40.800 0.187 0.000 0.915 452 D HN 0.187 nan 8.370 nan 0.000 0.526 453 L N -0.076 121.264 121.223 0.195 0.000 2.479 453 L HA 0.167 4.524 4.340 0.028 0.000 0.248 453 L C 0.276 177.275 176.870 0.216 0.000 1.205 453 L CA -0.576 54.444 54.840 0.300 0.000 0.817 453 L CB 0.109 42.297 42.059 0.215 0.000 1.162 453 L HN -0.215 nan 8.230 nan 0.000 0.486 454 F N 0.400 120.536 119.950 0.310 0.000 2.438 454 F HA 0.200 4.748 4.527 0.035 0.000 0.356 454 F C 0.120 176.042 175.800 0.203 0.000 1.099 454 F CA -0.167 57.978 58.000 0.241 0.000 1.185 454 F CB 0.271 39.393 39.000 0.203 0.000 1.115 454 F HN 0.104 nan 8.300 nan 0.000 0.526 455 F N 5.492 125.602 119.950 0.267 0.000 2.404 455 F HA 0.581 5.125 4.527 0.027 0.000 0.358 455 F C -0.597 175.287 175.800 0.140 0.000 1.120 455 F CA -0.579 57.536 58.000 0.192 0.000 1.144 455 F CB 0.145 39.272 39.000 0.211 0.000 1.133 455 F HN 0.261 nan 8.300 nan 0.000 0.495 456 I N 7.052 127.398 120.570 -0.374 0.000 2.476 456 I HA 0.339 4.526 4.170 0.028 0.000 0.281 456 I C -0.092 175.827 176.117 -0.330 0.000 1.040 456 I CA -0.911 60.286 61.300 -0.171 0.000 1.094 456 I CB 1.409 39.362 38.000 -0.077 0.000 1.219 456 I HN 0.742 nan 8.210 nan 0.000 0.450 457 A N 5.131 127.892 122.820 -0.099 0.000 2.546 457 A HA 0.015 4.352 4.320 0.028 0.000 0.243 457 A C 0.192 177.814 177.584 0.063 0.000 1.063 457 A CA 0.180 52.220 52.037 0.005 0.000 0.757 457 A CB 0.141 19.312 19.000 0.285 0.000 0.991 457 A HN 0.777 nan 8.150 nan 0.000 0.503 458 D N 1.646 122.029 120.400 -0.028 0.000 2.339 458 D HA 0.032 4.689 4.640 0.028 0.000 0.245 458 D C 1.046 177.420 176.300 0.123 0.000 1.115 458 D CA -0.181 53.832 54.000 0.022 0.000 0.917 458 D CB 0.753 41.526 40.800 -0.045 0.000 1.192 458 D HN 0.625 nan 8.370 nan 0.000 0.428 459 K N 2.202 122.719 120.400 0.195 0.000 2.160 459 K HA -0.168 4.168 4.320 0.028 0.000 0.206 459 K C 1.261 177.978 176.600 0.195 0.000 1.047 459 K CA 1.042 57.507 56.287 0.296 0.000 0.930 459 K CB 0.087 32.704 32.500 0.194 0.000 0.720 459 K HN 0.393 nan 8.250 nan 0.000 0.450 460 N N 0.376 119.103 118.700 0.046 0.000 2.520 460 N HA -0.077 4.679 4.740 0.028 0.000 0.185 460 N C 1.189 176.618 175.510 -0.135 0.000 1.068 460 N CA 0.735 53.776 53.050 -0.015 0.000 0.911 460 N CB 0.048 38.521 38.487 -0.024 0.000 0.961 460 N HN 0.116 nan 8.380 nan 0.000 0.446 461 S N 0.084 115.573 115.700 -0.353 0.000 2.481 461 S HA 0.041 4.527 4.470 0.028 0.000 0.231 461 S C 0.297 174.403 174.600 -0.822 0.000 0.996 461 S CA 0.569 58.363 58.200 -0.676 0.000 0.942 461 S CB -0.048 62.531 63.200 -1.036 0.000 0.768 461 S HN 0.202 nan 8.310 nan 0.000 0.520 462 F N 1.191 121.163 119.950 0.036 0.000 2.443 462 F HA 0.492 5.035 4.527 0.028 0.000 0.335 462 F C 0.617 176.430 175.800 0.022 0.000 1.104 462 F CA -1.120 56.899 58.000 0.031 0.000 1.013 462 F CB 0.979 39.997 39.000 0.031 0.000 1.136 462 F HN -0.189 nan 8.300 nan 0.000 0.470 463 S N 0.617 116.415 115.700 0.165 0.000 2.573 463 S HA 0.004 4.491 4.470 0.028 0.000 0.277 463 S C 0.261 174.915 174.600 0.089 0.000 1.346 463 S CA -0.172 58.086 58.200 0.096 0.000 1.034 463 S CB 0.490 63.737 63.200 0.079 0.000 0.879 463 S HN 0.759 nan 8.310 nan 0.000 0.528 464 D N 0.916 121.348 120.400 0.053 0.000 2.538 464 D HA 0.258 4.915 4.640 0.028 0.000 0.231 464 D C 0.361 176.669 176.300 0.013 0.000 1.229 464 D CA -0.217 53.803 54.000 0.032 0.000 0.828 464 D CB 0.074 40.892 40.800 0.031 0.000 1.035 464 D HN 0.488 nan 8.370 nan 0.000 0.495 465 D N 0.011 120.419 120.400 0.013 0.000 2.265 465 D HA -0.108 4.548 4.640 0.028 0.000 0.208 465 D C 1.963 178.252 176.300 -0.018 0.000 0.977 465 D CA 0.565 54.566 54.000 0.001 0.000 0.871 465 D CB 0.161 40.964 40.800 0.004 0.000 0.925 465 D HN 0.390 nan 8.370 nan 0.000 0.485 466 L N 0.666 121.869 121.223 -0.033 0.000 2.275 466 L HA -0.115 4.241 4.340 0.028 0.000 0.215 466 L C 2.192 179.023 176.870 -0.064 0.000 1.119 466 L CA 0.926 55.724 54.840 -0.071 0.000 0.790 466 L CB -0.284 41.711 42.059 -0.107 0.000 0.919 466 L HN 0.050 nan 8.230 nan 0.000 0.443 467 S N -1.655 114.024 115.700 -0.034 0.000 2.562 467 S HA 0.015 4.502 4.470 0.028 0.000 0.221 467 S C 0.826 175.429 174.600 0.005 0.000 0.975 467 S CA -0.100 58.090 58.200 -0.017 0.000 0.918 467 S CB -0.117 63.078 63.200 -0.008 0.000 0.772 467 S HN 0.258 nan 8.310 nan 0.000 0.531 468 K N 2.006 122.409 120.400 0.004 0.000 2.118 468 K HA 0.305 4.641 4.320 0.028 0.000 0.264 468 K C -0.313 176.305 176.600 0.031 0.000 1.000 468 K CA -0.669 55.627 56.287 0.014 0.000 0.929 468 K CB 0.338 32.839 32.500 0.002 0.000 1.021 468 K HN 0.206 nan 8.250 nan 0.000 0.463 469 N N 2.181 120.903 118.700 0.037 0.000 2.444 469 N HA 0.086 4.843 4.740 0.028 0.000 0.255 469 N C -0.427 175.077 175.510 -0.009 0.000 1.255 469 N CA 0.214 53.298 53.050 0.056 0.000 0.933 469 N CB 0.735 39.252 38.487 0.051 0.000 1.143 469 N HN 0.426 nan 8.380 nan 0.000 0.453 470 E N 0.989 121.154 120.200 -0.059 0.000 2.272 470 E HA 0.283 4.649 4.350 0.028 0.000 0.269 470 E C -0.558 175.884 176.600 -0.263 0.000 0.877 470 E CA -0.545 55.714 56.400 -0.235 0.000 0.755 470 E CB 2.390 31.790 29.700 -0.501 0.000 1.192 470 E HN 0.256 nan 8.360 nan 0.000 0.422 471 R N 2.462 122.840 120.500 -0.204 0.000 2.229 471 R HA 0.391 4.747 4.340 0.028 0.000 0.328 471 R C -0.091 176.090 176.300 -0.199 0.000 1.009 471 R CA -0.646 55.359 56.100 -0.159 0.000 0.864 471 R CB 0.757 31.002 30.300 -0.093 0.000 1.085 471 R HN 0.323 nan 8.270 nan 0.000 0.453 472 I N 3.345 123.798 120.570 -0.195 0.000 2.353 472 I HA 0.310 4.497 4.170 0.028 0.000 0.293 472 I C 0.392 176.461 176.117 -0.080 0.000 0.992 472 I CA -0.225 60.977 61.300 -0.163 0.000 1.268 472 I CB 1.294 39.204 38.000 -0.151 0.000 1.387 472 I HN 0.612 nan 8.210 nan 0.000 0.478 473 E N 3.867 124.060 120.200 -0.012 0.000 2.446 473 E HA 0.205 4.572 4.350 0.028 0.000 0.276 473 E C -0.127 176.583 176.600 0.182 0.000 0.969 473 E CA -0.623 55.863 56.400 0.144 0.000 0.800 473 E CB 1.440 31.218 29.700 0.131 0.000 1.341 473 E HN 0.553 nan 8.360 nan 0.000 0.460 474 Y N 0.308 120.789 120.300 0.302 0.000 2.315 474 Y HA -0.164 4.403 4.550 0.028 0.000 0.288 474 Y C 1.215 177.160 175.900 0.075 0.000 1.154 474 Y CA 1.718 59.908 58.100 0.150 0.000 1.229 474 Y CB -0.524 37.950 38.460 0.023 0.000 0.980 474 Y HN 0.408 nan 8.280 nan 0.000 0.540 475 N N 0.231 118.497 118.700 -0.724 0.000 2.093 475 N HA -0.102 4.654 4.740 0.028 0.000 0.191 475 N C -0.006 175.373 175.510 -0.219 0.000 1.062 475 N CA 1.249 53.949 53.050 -0.582 0.000 0.854 475 N CB -0.491 37.680 38.487 -0.527 0.000 1.043 475 N HN 0.114 nan 8.380 nan 0.000 0.438 476 T N 2.198 116.658 114.554 -0.157 0.000 2.097 476 T HA -0.194 4.173 4.350 0.028 0.000 0.243 476 T C -0.201 174.469 174.700 -0.050 0.000 1.038 476 T CA 0.847 62.892 62.100 -0.092 0.000 1.640 476 T CB -0.484 68.334 68.868 -0.083 0.000 1.030 476 T HN 0.322 nan 8.240 nan 0.000 0.404 477 Q N 1.384 121.163 119.800 -0.037 0.000 2.496 477 Q HA 0.705 5.062 4.340 0.028 0.000 0.286 477 Q C 0.022 176.034 176.000 0.019 0.000 1.103 477 Q CA -1.213 54.593 55.803 0.004 0.000 0.813 477 Q CB 1.589 30.332 28.738 0.009 0.000 1.444 477 Q HN 0.608 nan 8.270 nan 0.000 0.443 478 S N 1.032 116.777 115.700 0.075 0.000 2.589 478 S HA 0.299 4.786 4.470 0.028 0.000 0.265 478 S C -0.320 174.317 174.600 0.062 0.000 1.342 478 S CA -0.465 57.804 58.200 0.116 0.000 1.005 478 S CB 0.186 63.580 63.200 0.323 0.000 0.909 478 S HN 0.659 nan 8.310 nan 0.000 0.555 479 N N 1.400 120.058 118.700 -0.070 0.000 2.581 479 N HA 0.319 5.076 4.740 0.028 0.000 0.279 479 N C -2.085 173.244 175.510 -0.302 0.000 1.124 479 N CA -0.181 52.792 53.050 -0.129 0.000 0.833 479 N CB 1.108 39.503 38.487 -0.154 0.000 1.338 479 N HN 0.639 nan 8.380 nan 0.000 0.533 480 Y N 0.882 121.151 120.300 -0.052 0.000 2.391 480 Y HA 0.552 5.118 4.550 0.027 0.000 0.341 480 Y C 0.201 176.054 175.900 -0.080 0.000 0.965 480 Y CA -0.710 57.367 58.100 -0.039 0.000 1.067 480 Y CB 2.177 40.628 38.460 -0.016 0.000 1.199 480 Y HN 0.281 nan 8.280 nan 0.000 0.450 481 I N 2.884 123.491 120.570 0.062 0.000 2.390 481 I HA 0.234 4.421 4.170 0.028 0.000 0.283 481 I C -0.512 175.603 176.117 -0.003 0.000 1.016 481 I CA -0.783 60.526 61.300 0.016 0.000 1.151 481 I CB 1.425 39.441 38.000 0.026 0.000 1.293 481 I HN 0.530 nan 8.210 nan 0.000 0.458 482 E N 5.272 125.457 120.200 -0.025 0.000 2.166 482 E HA 0.105 4.471 4.350 0.028 0.000 0.279 482 E C 0.119 176.462 176.600 -0.428 0.000 1.095 482 E CA -0.045 56.276 56.400 -0.132 0.000 0.888 482 E CB 0.335 29.993 29.700 -0.069 0.000 1.041 482 E HN 0.297 nan 8.360 nan 0.000 0.414 483 N N 3.828 122.144 118.700 -0.641 0.000 2.715 483 N HA 0.026 4.782 4.740 0.028 0.000 0.254 483 N C -1.070 173.968 175.510 -0.787 0.000 1.306 483 N CA 0.289 52.524 53.050 -1.357 0.000 0.956 483 N CB -0.149 37.912 38.487 -0.710 0.000 1.296 483 N HN 0.400 nan 8.380 nan 0.000 0.512 484 D N -0.578 119.562 120.400 -0.434 0.000 2.661 484 D HA 0.500 5.156 4.640 0.028 0.000 0.228 484 D C -1.706 174.687 176.300 0.155 0.000 1.183 484 D CA -0.631 53.319 54.000 -0.084 0.000 0.844 484 D CB 1.287 42.031 40.800 -0.093 0.000 1.555 484 D HN -0.078 nan 8.370 nan 0.000 0.453 485 F N 2.615 122.559 119.950 -0.010 0.000 2.722 485 F HA 0.368 4.912 4.527 0.027 0.000 0.336 485 F C -2.345 173.424 175.800 -0.052 0.000 1.216 485 F CA -1.610 56.384 58.000 -0.010 0.000 1.065 485 F CB 1.928 40.930 39.000 0.004 0.000 1.325 485 F HN 0.047 nan 8.300 nan 0.000 0.524 486 P HA -0.005 nan 4.420 nan 0.000 0.256 486 P C 0.995 178.143 177.300 -0.253 0.000 1.189 486 P CA 0.302 63.203 63.100 -0.330 0.000 0.808 486 P CB 0.722 32.202 31.700 -0.368 0.000 0.793 487 I N 4.260 124.779 120.570 -0.084 0.000 2.423 487 I HA -0.277 3.910 4.170 0.028 0.000 0.254 487 I C 1.742 177.824 176.117 -0.060 0.000 1.151 487 I CA 1.554 62.833 61.300 -0.035 0.000 1.421 487 I CB -0.554 37.425 38.000 -0.035 0.000 1.079 487 I HN 0.207 nan 8.210 nan 0.000 0.431 488 N N 0.441 119.089 118.700 -0.087 0.000 2.142 488 N HA -0.217 4.540 4.740 0.028 0.000 0.186 488 N C 1.756 177.221 175.510 -0.075 0.000 1.023 488 N CA 1.536 54.541 53.050 -0.074 0.000 0.852 488 N CB -0.179 38.263 38.487 -0.075 0.000 0.998 488 N HN 0.630 nan 8.380 nan 0.000 0.424 489 E N 0.171 120.295 120.200 -0.127 0.000 2.150 489 E HA -0.159 4.208 4.350 0.028 0.000 0.193 489 E C 1.873 178.465 176.600 -0.013 0.000 0.985 489 E CA 0.703 57.040 56.400 -0.106 0.000 0.814 489 E CB -0.323 29.252 29.700 -0.209 0.000 0.752 489 E HN 0.228 nan 8.360 nan 0.000 0.466 490 L N 1.334 122.584 121.223 0.045 0.000 2.017 490 L HA -0.072 4.284 4.340 0.028 0.000 0.208 490 L C 2.265 179.156 176.870 0.035 0.000 1.073 490 L CA 1.616 56.541 54.840 0.142 0.000 0.745 490 L CB -0.204 41.937 42.059 0.135 0.000 0.894 490 L HN 0.217 nan 8.230 nan 0.000 0.432 491 I N -1.069 119.501 120.570 -0.000 0.000 2.546 491 I HA -0.227 3.960 4.170 0.028 0.000 0.255 491 I C 1.541 177.662 176.117 0.008 0.000 1.163 491 I CA 0.927 62.228 61.300 0.002 0.000 1.457 491 I CB -0.109 37.882 38.000 -0.015 0.000 1.092 491 I HN 0.234 nan 8.210 nan 0.000 0.434 492 L N -0.409 120.816 121.223 0.003 0.000 2.728 492 L HA 0.185 4.542 4.340 0.028 0.000 0.238 492 L C 0.289 177.169 176.870 0.015 0.000 1.143 492 L CA -0.269 54.572 54.840 0.003 0.000 0.937 492 L CB -0.097 41.955 42.059 -0.012 0.000 1.225 492 L HN 0.055 nan 8.230 nan 0.000 0.507 493 D N 0.532 120.952 120.400 0.033 0.000 2.401 493 D HA -0.009 4.647 4.640 0.028 0.000 0.254 493 D C 1.051 177.379 176.300 0.046 0.000 1.192 493 D CA 0.446 54.475 54.000 0.050 0.000 0.885 493 D CB 1.589 42.441 40.800 0.086 0.000 1.147 493 D HN -0.059 nan 8.370 nan 0.000 0.478 494 T N 2.428 117.006 114.554 0.040 0.000 2.942 494 T HA -0.051 4.316 4.350 0.028 0.000 0.265 494 T C 0.757 175.482 174.700 0.041 0.000 1.062 494 T CA 0.655 62.777 62.100 0.035 0.000 1.139 494 T CB 0.187 69.072 68.868 0.029 0.000 0.883 494 T HN 0.441 nan 8.240 nan 0.000 0.468 495 D N 0.408 120.838 120.400 0.051 0.000 2.395 495 D HA 0.192 4.849 4.640 0.028 0.000 0.213 495 D C 1.592 177.927 176.300 0.059 0.000 1.110 495 D CA -0.088 53.944 54.000 0.054 0.000 0.835 495 D CB 0.474 41.310 40.800 0.060 0.000 0.965 495 D HN 0.201 nan 8.370 nan 0.000 0.505 496 L N 0.695 121.957 121.223 0.064 0.000 2.005 496 L HA -0.038 4.319 4.340 0.028 0.000 0.207 496 L C 0.527 177.433 176.870 0.059 0.000 1.072 496 L CA 1.372 56.253 54.840 0.068 0.000 0.744 496 L CB 0.009 42.119 42.059 0.084 0.000 0.895 496 L HN -0.156 nan 8.230 nan 0.000 0.433 497 I N 0.719 121.322 120.570 0.054 0.000 2.416 497 I HA 0.072 4.258 4.170 0.028 0.000 0.288 497 I C 0.818 176.950 176.117 0.025 0.000 1.051 497 I CA 0.199 61.523 61.300 0.040 0.000 1.375 497 I CB 0.011 38.034 38.000 0.037 0.000 1.407 497 I HN 0.140 nan 8.210 nan 0.000 0.516 498 S N 6.141 121.849 115.700 0.013 0.000 2.563 498 S HA 0.073 4.559 4.470 0.028 0.000 0.284 498 S C 0.905 175.499 174.600 -0.010 0.000 1.331 498 S CA -0.040 58.158 58.200 -0.004 0.000 1.047 498 S CB 0.273 63.455 63.200 -0.030 0.000 0.859 498 S HN 0.773 nan 8.310 nan 0.000 0.514 499 K N 3.076 123.469 120.400 -0.012 0.000 2.501 499 K HA 0.297 4.633 4.320 0.028 0.000 0.204 499 K C -0.482 176.102 176.600 -0.026 0.000 1.067 499 K CA -0.516 55.763 56.287 -0.013 0.000 1.060 499 K CB 0.191 32.691 32.500 -0.000 0.000 0.873 499 K HN 0.355 nan 8.250 nan 0.000 0.540 500 I N 2.678 123.223 120.570 -0.041 0.000 2.396 500 I HA 0.170 4.356 4.170 0.028 0.000 0.292 500 I C 0.554 176.613 176.117 -0.097 0.000 0.999 500 I CA -0.750 60.512 61.300 -0.062 0.000 1.310 500 I CB 1.142 39.100 38.000 -0.069 0.000 1.404 500 I HN 0.307 nan 8.210 nan 0.000 0.496 501 E N 4.031 124.171 120.200 -0.101 0.000 2.608 501 E HA -0.095 4.272 4.350 0.028 0.000 0.259 501 E C -0.914 175.574 176.600 -0.188 0.000 0.951 501 E CA -0.211 56.116 56.400 -0.122 0.000 0.945 501 E CB 0.585 30.219 29.700 -0.111 0.000 0.916 501 E HN 0.330 nan 8.360 nan 0.000 0.477 502 L N 7.613 128.737 121.223 -0.166 0.000 2.265 502 L HA 0.359 4.715 4.340 0.028 0.000 0.288 502 L C -2.308 174.432 176.870 -0.217 0.000 1.058 502 L CA -1.693 53.025 54.840 -0.203 0.000 0.809 502 L CB 0.875 42.855 42.059 -0.132 0.000 1.179 502 L HN 0.451 nan 8.230 nan 0.000 0.429 503 P HA 0.164 nan 4.420 nan 0.000 0.269 503 P C -0.915 176.336 177.300 -0.081 0.000 1.215 503 P CA -0.269 62.644 63.100 -0.313 0.000 0.780 503 P CB 0.403 31.665 31.700 -0.731 0.000 0.898 504 S N 0.438 116.149 115.700 0.017 0.000 2.568 504 S HA 0.011 4.498 4.470 0.028 0.000 0.282 504 S C 1.085 175.813 174.600 0.213 0.000 1.338 504 S CA -0.202 58.051 58.200 0.088 0.000 1.045 504 S CB 0.446 63.695 63.200 0.082 0.000 0.873 504 S HN 0.622 nan 8.310 nan 0.000 0.516 505 E N 1.663 121.982 120.200 0.198 0.000 2.285 505 E HA -0.058 4.309 4.350 0.028 0.000 0.194 505 E C -0.058 176.616 176.600 0.122 0.000 0.997 505 E CA 0.047 56.612 56.400 0.275 0.000 0.845 505 E CB -0.191 29.646 29.700 0.227 0.000 0.782 505 E HN 0.539 nan 8.360 nan 0.000 0.491 506 N N 1.352 120.093 118.700 0.067 0.000 2.513 506 N HA 0.106 4.862 4.740 0.028 0.000 0.268 506 N C -0.402 175.043 175.510 -0.108 0.000 1.180 506 N CA 0.547 53.573 53.050 -0.040 0.000 0.948 506 N CB 1.660 40.146 38.487 -0.003 0.000 1.083 506 N HN 0.154 nan 8.380 nan 0.000 0.455 507 T N -0.144 114.261 114.554 -0.248 0.000 2.648 507 T HA 0.147 4.514 4.350 0.028 0.000 0.304 507 T C -1.419 173.156 174.700 -0.210 0.000 1.312 507 T CA -0.643 61.290 62.100 -0.278 0.000 1.023 507 T CB 0.692 69.121 68.868 -0.731 0.000 1.612 507 T HN 0.220 nan 8.240 nan 0.000 0.487 508 E N 2.077 122.177 120.200 -0.167 0.000 2.373 508 E HA 0.285 4.652 4.350 0.028 0.000 0.267 508 E C 0.283 176.794 176.600 -0.150 0.000 1.032 508 E CA 0.024 56.353 56.400 -0.119 0.000 0.889 508 E CB 0.992 30.644 29.700 -0.081 0.000 0.984 508 E HN 0.697 nan 8.360 nan 0.000 0.425 509 S N 1.998 117.634 115.700 -0.106 0.000 2.568 509 S HA 0.064 4.551 4.470 0.028 0.000 0.282 509 S C 0.344 174.861 174.600 -0.140 0.000 1.338 509 S CA -0.795 57.346 58.200 -0.097 0.000 1.045 509 S CB 0.521 63.703 63.200 -0.029 0.000 0.873 509 S HN 0.418 nan 8.310 nan 0.000 0.516 510 L N 2.781 123.885 121.223 -0.198 0.000 2.416 510 L HA 0.364 4.721 4.340 0.028 0.000 0.272 510 L C 1.267 177.816 176.870 -0.535 0.000 1.161 510 L CA 0.951 55.569 54.840 -0.369 0.000 0.845 510 L CB 0.883 42.665 42.059 -0.463 0.000 1.119 510 L HN 1.055 nan 8.230 nan 0.000 0.464 511 T N -1.152 113.116 114.554 -0.476 0.000 2.955 511 T HA 0.183 4.549 4.350 0.028 0.000 0.251 511 T C 0.316 174.774 174.700 -0.404 0.000 1.002 511 T CA 0.042 61.934 62.100 -0.347 0.000 0.970 511 T CB -0.136 68.671 68.868 -0.102 0.000 1.091 511 T HN 0.531 nan 8.240 nan 0.000 0.495 512 D N 0.862 121.002 120.400 -0.433 0.000 2.456 512 D HA 0.308 4.964 4.640 0.028 0.000 0.219 512 D C -0.547 175.552 176.300 -0.335 0.000 1.126 512 D CA -1.299 52.553 54.000 -0.245 0.000 0.890 512 D CB 0.012 40.727 40.800 -0.143 0.000 1.025 512 D HN 0.256 nan 8.370 nan 0.000 0.511 513 F N 1.686 121.626 119.950 -0.017 0.000 2.692 513 F HA 0.153 4.697 4.527 0.027 0.000 0.303 513 F C 1.180 176.974 175.800 -0.010 0.000 1.114 513 F CA -0.674 57.316 58.000 -0.017 0.000 1.361 513 F CB -0.544 38.446 39.000 -0.017 0.000 1.063 513 F HN 0.219 nan 8.300 nan 0.000 0.550 514 N N 1.688 120.446 118.700 0.098 0.000 2.411 514 N HA 0.170 4.927 4.740 0.028 0.000 0.261 514 N C -0.807 174.730 175.510 0.046 0.000 1.248 514 N CA 0.466 53.550 53.050 0.056 0.000 0.885 514 N CB 0.638 39.133 38.487 0.014 0.000 1.062 514 N HN 0.053 nan 8.380 nan 0.000 0.471 515 V N 2.820 122.762 119.914 0.048 0.000 3.108 515 V HA 0.225 4.361 4.120 0.028 0.000 0.287 515 V C -1.808 174.289 176.094 0.005 0.000 1.436 515 V CA -0.995 61.337 62.300 0.053 0.000 1.001 515 V CB 2.105 34.020 31.823 0.153 0.000 1.141 515 V HN 0.674 nan 8.190 nan 0.000 0.443 516 D N 3.773 124.149 120.400 -0.040 0.000 2.295 516 D HA 0.447 5.103 4.640 0.028 0.000 0.248 516 D C -0.371 175.781 176.300 -0.248 0.000 1.154 516 D CA 0.175 54.103 54.000 -0.120 0.000 0.857 516 D CB 1.919 42.634 40.800 -0.142 0.000 1.117 516 D HN 0.341 nan 8.370 nan 0.000 0.468 517 V N 4.857 124.571 119.914 -0.334 0.000 2.347 517 V HA 0.247 4.384 4.120 0.028 0.000 0.280 517 V C -1.902 173.885 176.094 -0.511 0.000 1.021 517 V CA -1.523 60.401 62.300 -0.626 0.000 0.847 517 V CB 1.273 32.842 31.823 -0.423 0.000 0.990 517 V HN 0.376 nan 8.190 nan 0.000 0.444 518 P HA 0.195 nan 4.420 nan 0.000 0.267 518 P C -0.875 175.983 177.300 -0.736 0.000 1.200 518 P CA -0.005 62.728 63.100 -0.611 0.000 0.772 518 P CB 0.555 31.863 31.700 -0.653 0.000 0.855 519 V N 3.628 123.134 119.914 -0.680 0.000 2.487 519 V HA 0.365 4.502 4.120 0.028 0.000 0.298 519 V C -0.687 175.096 176.094 -0.518 0.000 1.028 519 V CA -0.503 61.496 62.300 -0.502 0.000 0.860 519 V CB 0.759 32.439 31.823 -0.238 0.000 0.991 519 V HN 0.423 nan 8.190 nan 0.000 0.427 520 Y N 2.663 122.870 120.300 -0.155 0.000 2.487 520 Y HA 0.770 5.336 4.550 0.027 0.000 0.337 520 Y C 0.345 176.370 175.900 0.209 0.000 1.076 520 Y CA -0.859 57.230 58.100 -0.019 0.000 1.115 520 Y CB 1.943 40.264 38.460 -0.233 0.000 1.235 520 Y HN 0.753 nan 8.280 nan 0.000 0.468 521 E N 0.264 120.750 120.200 0.476 0.000 2.363 521 E HA 0.423 4.790 4.350 0.028 0.000 0.281 521 E C -1.875 174.726 176.600 0.000 0.000 0.953 521 E CA -1.309 55.247 56.400 0.260 0.000 0.778 521 E CB 1.721 31.486 29.700 0.108 0.000 1.220 521 E HN 0.477 nan 8.360 nan 0.000 0.431 522 K N 1.389 121.564 120.400 -0.374 0.000 2.180 522 K HA 0.130 4.466 4.320 0.028 0.000 0.251 522 K C -0.008 176.462 176.600 -0.216 0.000 1.014 522 K CA -0.145 55.824 56.287 -0.529 0.000 0.913 522 K CB 0.681 32.803 32.500 -0.629 0.000 1.008 522 K HN 0.617 nan 8.250 nan 0.000 0.490 523 Q N 0.110 119.805 119.800 -0.176 0.000 2.484 523 Q HA 0.476 4.832 4.340 0.028 0.000 0.285 523 Q C -2.857 173.103 176.000 -0.067 0.000 1.097 523 Q CA -2.598 53.146 55.803 -0.098 0.000 0.802 523 Q CB 1.351 30.032 28.738 -0.096 0.000 1.444 523 Q HN 0.156 nan 8.270 nan 0.000 0.429 524 P HA -0.051 nan 4.420 nan 0.000 0.262 524 P C -0.371 177.003 177.300 0.124 0.000 1.182 524 P CA 0.569 63.689 63.100 0.034 0.000 0.761 524 P CB 0.578 32.309 31.700 0.052 0.000 0.795 525 A N 4.132 127.014 122.820 0.105 0.000 2.208 525 A HA 0.117 4.453 4.320 0.028 0.000 0.209 525 A C 0.743 178.412 177.584 0.141 0.000 1.161 525 A CA 0.784 52.931 52.037 0.183 0.000 0.782 525 A CB -0.483 18.564 19.000 0.078 0.000 0.816 525 A HN 0.516 nan 8.150 nan 0.000 0.477 526 I N -0.308 120.305 120.570 0.072 0.000 2.499 526 I HA 0.269 4.456 4.170 0.028 0.000 0.288 526 I C -0.529 175.577 176.117 -0.019 0.000 1.048 526 I CA -0.543 60.727 61.300 -0.049 0.000 1.062 526 I CB 2.212 40.176 38.000 -0.060 0.000 1.238 526 I HN 0.007 nan 8.210 nan 0.000 0.426 527 K N 6.994 127.332 120.400 -0.104 0.000 2.394 527 K HA 0.382 4.719 4.320 0.028 0.000 0.260 527 K C -0.824 175.723 176.600 -0.089 0.000 0.967 527 K CA -0.702 55.567 56.287 -0.030 0.000 0.855 527 K CB 1.487 34.012 32.500 0.042 0.000 1.101 527 K HN 0.509 nan 8.250 nan 0.000 0.433 528 K N 6.471 126.835 120.400 -0.061 0.000 2.258 528 K HA 0.301 4.638 4.320 0.028 0.000 0.284 528 K C -0.274 176.279 176.600 -0.079 0.000 1.051 528 K CA -0.574 55.643 56.287 -0.116 0.000 0.923 528 K CB 0.529 32.965 32.500 -0.108 0.000 1.046 528 K HN 0.672 nan 8.250 nan 0.000 0.474 529 I N -0.117 120.349 120.570 -0.173 0.000 3.042 529 I HA 0.572 4.758 4.170 0.028 0.000 0.310 529 I C -1.376 174.579 176.117 -0.270 0.000 1.117 529 I CA -1.218 60.043 61.300 -0.065 0.000 1.003 529 I CB 1.587 39.573 38.000 -0.023 0.000 1.228 529 I HN 0.356 nan 8.210 nan 0.000 0.443 530 F N 1.041 120.933 119.950 -0.097 0.000 2.482 530 F HA 0.755 5.298 4.527 0.026 0.000 0.331 530 F C 0.266 175.958 175.800 -0.181 0.000 1.115 530 F CA -0.505 57.424 58.000 -0.119 0.000 0.955 530 F CB 2.137 41.091 39.000 -0.076 0.000 1.136 530 F HN 0.622 nan 8.300 nan 0.000 0.452 531 T N 1.567 116.053 114.554 -0.113 0.000 3.047 531 T HA 0.243 4.610 4.350 0.028 0.000 0.340 531 T C -0.755 173.859 174.700 -0.144 0.000 1.421 531 T CA -0.633 61.325 62.100 -0.236 0.000 1.090 531 T CB 1.153 69.570 68.868 -0.752 0.000 1.292 531 T HN 0.583 nan 8.240 nan 0.000 0.480 532 D N 2.093 122.454 120.400 -0.066 0.000 2.398 532 D HA 0.157 4.814 4.640 0.028 0.000 0.210 532 D C 0.355 176.670 176.300 0.025 0.000 1.094 532 D CA 0.000 53.999 54.000 -0.002 0.000 0.839 532 D CB 0.704 41.523 40.800 0.032 0.000 0.963 532 D HN 0.602 nan 8.370 nan 0.000 0.506 533 E N 1.262 121.458 120.200 -0.006 0.000 2.398 533 E HA 0.101 4.467 4.350 0.028 0.000 0.263 533 E C 0.059 176.738 176.600 0.133 0.000 1.046 533 E CA 0.220 56.672 56.400 0.086 0.000 0.908 533 E CB 0.651 30.463 29.700 0.186 0.000 0.963 533 E HN -0.069 nan 8.360 nan 0.000 0.431 534 N N 2.220 121.009 118.700 0.150 0.000 2.851 534 N HA 0.099 4.855 4.740 0.028 0.000 0.248 534 N C -0.402 175.170 175.510 0.103 0.000 1.221 534 N CA -0.018 53.146 53.050 0.190 0.000 0.847 534 N CB 1.494 40.086 38.487 0.174 0.000 1.150 534 N HN 0.346 nan 8.380 nan 0.000 0.507 535 T N -0.099 114.555 114.554 0.166 0.000 2.923 535 T HA 0.363 4.729 4.350 0.028 0.000 0.282 535 T C 1.769 176.455 174.700 -0.024 0.000 1.137 535 T CA -0.584 61.520 62.100 0.007 0.000 0.958 535 T CB 0.556 69.471 68.868 0.079 0.000 1.961 535 T HN 0.290 nan 8.240 nan 0.000 0.586 536 I N -0.112 120.333 120.570 -0.209 0.000 2.145 536 I HA -0.201 3.985 4.170 0.028 0.000 0.244 536 I C 1.915 177.965 176.117 -0.112 0.000 1.075 536 I CA 2.029 63.177 61.300 -0.253 0.000 1.332 536 I CB -0.245 37.497 38.000 -0.430 0.000 1.033 536 I HN 0.685 nan 8.210 nan 0.000 0.410 537 F N 0.550 120.646 119.950 0.244 0.000 2.102 537 F HA -0.270 4.276 4.527 0.032 0.000 0.298 537 F C 2.623 178.588 175.800 0.275 0.000 1.105 537 F CA 1.228 59.370 58.000 0.237 0.000 1.239 537 F CB -0.884 38.247 39.000 0.217 0.000 0.991 537 F HN 0.102 nan 8.300 nan 0.000 0.474 538 Q N -0.570 119.510 119.800 0.466 0.000 2.079 538 Q HA -0.156 4.201 4.340 0.028 0.000 0.200 538 Q C 2.031 178.353 176.000 0.536 0.000 0.974 538 Q CA 1.474 57.557 55.803 0.468 0.000 0.840 538 Q CB -0.851 28.173 28.738 0.475 0.000 0.898 538 Q HN 0.425 nan 8.270 nan 0.000 0.430 539 Y N 0.192 120.638 120.300 0.244 0.000 2.181 539 Y HA -0.150 4.426 4.550 0.044 0.000 0.288 539 Y C 1.907 177.979 175.900 0.287 0.000 1.146 539 Y CA 0.981 59.197 58.100 0.194 0.000 1.164 539 Y CB -0.269 38.160 38.460 -0.053 0.000 0.982 539 Y HN 0.066 nan 8.280 nan 0.000 0.515 540 L N -1.891 119.572 121.223 0.401 0.000 2.093 540 L HA -0.265 4.092 4.340 0.028 0.000 0.208 540 L C 2.242 179.273 176.870 0.268 0.000 1.085 540 L CA 1.444 56.521 54.840 0.395 0.000 0.755 540 L CB -0.679 41.629 42.059 0.414 0.000 0.904 540 L HN 0.239 nan 8.230 nan 0.000 0.435 541 Y N 0.913 121.308 120.300 0.157 0.000 2.224 541 Y HA -0.295 4.271 4.550 0.026 0.000 0.289 541 Y C 2.882 178.767 175.900 -0.024 0.000 1.146 541 Y CA 1.500 59.624 58.100 0.040 0.000 1.182 541 Y CB -0.300 38.213 38.460 0.089 0.000 0.983 541 Y HN 0.261 nan 8.280 nan 0.000 0.524 542 S N -0.575 115.145 115.700 0.034 0.000 2.500 542 S HA -0.188 4.299 4.470 0.028 0.000 0.239 542 S C 1.366 175.935 174.600 -0.050 0.000 0.989 542 S CA 1.187 59.319 58.200 -0.112 0.000 0.951 542 S CB -0.473 62.642 63.200 -0.142 0.000 0.759 542 S HN 0.714 nan 8.310 nan 0.000 0.523 543 Q N 1.501 121.279 119.800 -0.037 0.000 2.280 543 Q HA 0.167 4.523 4.340 0.028 0.000 0.201 543 Q C 0.558 176.412 176.000 -0.244 0.000 0.890 543 Q CA 0.404 56.196 55.803 -0.019 0.000 0.947 543 Q CB 0.601 29.431 28.738 0.154 0.000 1.081 543 Q HN 0.811 nan 8.270 nan 0.000 0.502 544 T N -1.823 112.495 114.554 -0.392 0.000 2.938 544 T HA 0.701 5.067 4.350 0.028 0.000 0.285 544 T C -0.450 174.165 174.700 -0.141 0.000 1.028 544 T CA -0.866 60.983 62.100 -0.419 0.000 1.005 544 T CB 1.245 69.739 68.868 -0.623 0.000 1.157 544 T HN 0.150 nan 8.240 nan 0.000 0.550 545 F N -2.261 117.554 119.950 -0.225 0.000 2.619 545 F HA 0.767 5.310 4.527 0.026 0.000 0.308 545 F C -3.190 172.546 175.800 -0.107 0.000 1.097 545 F CA -2.558 55.347 58.000 -0.158 0.000 0.953 545 F CB -0.357 38.580 39.000 -0.104 0.000 1.287 545 F HN 0.434 nan 8.300 nan 0.000 0.446 546 P HA 0.236 nan 4.420 nan 0.000 0.269 546 P C 0.675 177.993 177.300 0.030 0.000 1.217 546 P CA -0.385 62.714 63.100 -0.002 0.000 0.783 546 P CB 0.887 32.608 31.700 0.035 0.000 0.898 547 L N 1.005 122.219 121.223 -0.014 0.000 2.217 547 L HA -0.115 4.241 4.340 0.028 0.000 0.211 547 L C 1.493 178.401 176.870 0.063 0.000 1.107 547 L CA 1.293 56.139 54.840 0.011 0.000 0.783 547 L CB -0.567 41.484 42.059 -0.013 0.000 0.919 547 L HN 0.493 nan 8.230 nan 0.000 0.442 548 D N -0.865 119.568 120.400 0.055 0.000 2.340 548 D HA -0.015 4.642 4.640 0.028 0.000 0.220 548 D C 0.576 176.914 176.300 0.062 0.000 1.039 548 D CA 0.279 54.310 54.000 0.052 0.000 0.866 548 D CB 0.166 40.986 40.800 0.032 0.000 0.913 548 D HN 0.019 nan 8.370 nan 0.000 0.523 549 I N 1.342 121.971 120.570 0.098 0.000 2.412 549 I HA 0.288 4.475 4.170 0.028 0.000 0.296 549 I C 1.323 177.487 176.117 0.078 0.000 0.987 549 I CA -0.599 60.743 61.300 0.071 0.000 1.180 549 I CB 2.004 40.052 38.000 0.079 0.000 1.340 549 I HN 0.072 nan 8.210 nan 0.000 0.455 550 R N 2.015 122.501 120.500 -0.023 0.000 2.521 550 R HA 0.262 4.619 4.340 0.028 0.000 0.289 550 R C -0.496 175.628 176.300 -0.293 0.000 0.936 550 R CA -0.292 55.786 56.100 -0.037 0.000 1.089 550 R CB 0.494 30.851 30.300 0.096 0.000 1.348 550 R HN 0.407 nan 8.270 nan 0.000 0.536 551 D N 2.321 122.427 120.400 -0.490 0.000 2.441 551 D HA 0.325 4.981 4.640 0.028 0.000 0.231 551 D C -0.242 175.747 176.300 -0.518 0.000 1.073 551 D CA -0.725 52.748 54.000 -0.879 0.000 0.850 551 D CB 1.045 41.169 40.800 -1.128 0.000 1.062 551 D HN 0.398 nan 8.370 nan 0.000 0.524 552 I N -0.053 120.235 120.570 -0.470 0.000 3.067 552 I HA 0.786 4.973 4.170 0.028 0.000 0.312 552 I C -0.790 175.177 176.117 -0.250 0.000 1.073 552 I CA -0.998 60.090 61.300 -0.353 0.000 1.016 552 I CB 2.284 40.002 38.000 -0.470 0.000 1.227 552 I HN 0.296 nan 8.210 nan 0.000 0.456 553 S N 2.968 118.560 115.700 -0.180 0.000 2.541 553 S HA 0.656 5.143 4.470 0.028 0.000 0.280 553 S C -0.775 173.771 174.600 -0.090 0.000 1.112 553 S CA -0.916 57.210 58.200 -0.122 0.000 0.925 553 S CB 1.587 64.719 63.200 -0.113 0.000 1.067 553 S HN 0.678 nan 8.310 nan 0.000 0.479 554 L N 1.931 123.111 121.223 -0.071 0.000 2.439 554 L HA 0.700 5.056 4.340 0.028 0.000 0.261 554 L C 0.577 177.428 176.870 -0.032 0.000 1.153 554 L CA -0.264 54.545 54.840 -0.051 0.000 0.808 554 L CB 1.446 43.470 42.059 -0.059 0.000 1.126 554 L HN 0.922 nan 8.230 nan 0.000 0.460 555 T N -1.220 113.328 114.554 -0.009 0.000 2.932 555 T HA 0.200 4.567 4.350 0.028 0.000 0.318 555 T C 0.419 175.153 174.700 0.057 0.000 1.265 555 T CA -0.167 61.953 62.100 0.033 0.000 1.036 555 T CB 1.528 70.433 68.868 0.063 0.000 1.209 555 T HN 0.687 nan 8.240 nan 0.000 0.484 556 S N 1.821 117.575 115.700 0.091 0.000 2.558 556 S HA 0.184 4.670 4.470 0.028 0.000 0.217 556 S C 1.001 175.813 174.600 0.353 0.000 0.975 556 S CA 0.060 58.344 58.200 0.140 0.000 0.912 556 S CB 0.073 63.348 63.200 0.126 0.000 0.776 556 S HN 0.616 nan 8.310 nan 0.000 0.526 557 S N 1.217 117.091 115.700 0.289 0.000 2.400 557 S HA 0.346 4.833 4.470 0.028 0.000 0.295 557 S C 0.425 175.183 174.600 0.263 0.000 1.113 557 S CA -0.900 57.459 58.200 0.266 0.000 1.064 557 S CB -0.315 62.981 63.200 0.160 0.000 0.990 557 S HN 0.406 nan 8.310 nan 0.000 0.502 558 F N 5.167 125.130 119.950 0.023 0.000 2.102 558 F HA -0.098 4.453 4.527 0.041 0.000 0.298 558 F C 1.714 177.399 175.800 -0.192 0.000 1.105 558 F CA 1.922 59.685 58.000 -0.394 0.000 1.239 558 F CB -0.231 38.323 39.000 -0.743 0.000 0.991 558 F HN 0.599 nan 8.300 nan 0.000 0.474 559 D N 0.370 120.648 120.400 -0.203 0.000 2.117 559 D HA -0.184 4.472 4.640 0.028 0.000 0.197 559 D C 1.763 177.944 176.300 -0.197 0.000 0.987 559 D CA 1.673 55.526 54.000 -0.244 0.000 0.829 559 D CB -0.483 40.318 40.800 0.002 0.000 0.961 559 D HN 0.368 nan 8.370 nan 0.000 0.460 560 D N 0.573 120.954 120.400 -0.032 0.000 2.144 560 D HA -0.050 4.607 4.640 0.028 0.000 0.200 560 D C 2.053 178.404 176.300 0.084 0.000 0.978 560 D CA 1.006 55.082 54.000 0.127 0.000 0.833 560 D CB -0.285 40.633 40.800 0.195 0.000 0.961 560 D HN 0.115 nan 8.370 nan 0.000 0.470 561 A N 0.435 123.226 122.820 -0.048 0.000 1.933 561 A HA -0.106 4.231 4.320 0.028 0.000 0.218 561 A C 2.295 179.761 177.584 -0.197 0.000 1.175 561 A CA 0.822 52.815 52.037 -0.074 0.000 0.628 561 A CB -0.653 18.320 19.000 -0.045 0.000 0.814 561 A HN 0.216 nan 8.150 nan 0.000 0.444 562 L N -1.364 119.633 121.223 -0.378 0.000 2.109 562 L HA -0.110 4.246 4.340 0.028 0.000 0.207 562 L C 2.512 179.233 176.870 -0.248 0.000 1.086 562 L CA 0.878 55.515 54.840 -0.337 0.000 0.760 562 L CB -0.308 41.467 42.059 -0.473 0.000 0.910 562 L HN 0.441 nan 8.230 nan 0.000 0.437 563 L N -0.844 120.189 121.223 -0.317 0.000 2.095 563 L HA 0.017 4.373 4.340 0.028 0.000 0.204 563 L C 0.211 176.689 176.870 -0.654 0.000 1.080 563 L CA 1.382 55.907 54.840 -0.525 0.000 0.759 563 L CB -0.088 41.521 42.059 -0.749 0.000 0.914 563 L HN -0.137 nan 8.230 nan 0.000 0.439 564 F N -0.844 119.058 119.950 -0.080 0.000 2.427 564 F HA 0.257 4.800 4.527 0.027 0.000 0.346 564 F C 1.651 177.408 175.800 -0.072 0.000 1.120 564 F CA -0.093 57.867 58.000 -0.066 0.000 1.033 564 F CB 1.142 40.105 39.000 -0.062 0.000 1.126 564 F HN -0.063 nan 8.300 nan 0.000 0.462 565 S N 0.547 116.303 115.700 0.093 0.000 2.474 565 S HA -0.186 4.301 4.470 0.028 0.000 0.235 565 S C 1.248 175.869 174.600 0.035 0.000 0.997 565 S CA 1.133 59.357 58.200 0.039 0.000 0.949 565 S CB -0.459 62.759 63.200 0.030 0.000 0.766 565 S HN 0.760 nan 8.310 nan 0.000 0.517 566 N N 0.729 119.451 118.700 0.036 0.000 2.280 566 N HA 0.093 4.849 4.740 0.028 0.000 0.192 566 N C -0.385 175.085 175.510 -0.066 0.000 1.109 566 N CA -0.097 52.922 53.050 -0.052 0.000 0.855 566 N CB 0.008 38.447 38.487 -0.080 0.000 0.974 566 N HN 0.171 nan 8.380 nan 0.000 0.482 567 K N 0.983 121.388 120.400 0.007 0.000 2.235 567 K HA 0.426 4.762 4.320 0.028 0.000 0.266 567 K C -0.967 175.635 176.600 0.003 0.000 0.980 567 K CA -0.713 55.577 56.287 0.005 0.000 0.849 567 K CB 2.813 35.364 32.500 0.085 0.000 1.098 567 K HN -0.151 nan 8.250 nan 0.000 0.445 568 V N 3.743 123.652 119.914 -0.008 0.000 2.487 568 V HA 0.194 4.330 4.120 0.028 0.000 0.298 568 V C -0.609 175.524 176.094 0.065 0.000 1.028 568 V CA -1.135 61.179 62.300 0.022 0.000 0.860 568 V CB 1.327 33.153 31.823 0.006 0.000 0.991 568 V HN 0.633 nan 8.190 nan 0.000 0.427 569 Y N 3.515 123.799 120.300 -0.028 0.000 2.411 569 Y HA 0.476 5.042 4.550 0.026 0.000 0.333 569 Y C 0.529 176.433 175.900 0.007 0.000 1.186 569 Y CA 0.589 58.695 58.100 0.009 0.000 1.381 569 Y CB 1.195 39.676 38.460 0.035 0.000 1.273 569 Y HN 0.663 nan 8.280 nan 0.000 0.546 570 S N 5.698 120.928 115.700 -0.782 0.000 2.547 570 S HA 0.407 4.893 4.470 0.028 0.000 0.281 570 S C -0.309 173.726 174.600 -0.943 0.000 1.118 570 S CA -0.778 56.965 58.200 -0.761 0.000 0.947 570 S CB 0.153 63.149 63.200 -0.340 0.000 1.053 570 S HN 0.637 nan 8.310 nan 0.000 0.482 571 F N 2.332 121.879 119.950 -0.672 0.000 2.693 571 F HA 0.550 5.097 4.527 0.033 0.000 0.303 571 F C 0.019 175.722 175.800 -0.162 0.000 1.097 571 F CA -1.023 56.756 58.000 -0.368 0.000 1.330 571 F CB -0.464 38.429 39.000 -0.178 0.000 1.067 571 F HN 0.326 nan 8.300 nan 0.000 0.565 572 F N 1.329 121.004 119.950 -0.459 0.000 2.368 572 F HA 0.328 4.871 4.527 0.026 0.000 0.308 572 F C 1.524 177.267 175.800 -0.094 0.000 1.198 572 F CA -1.110 56.665 58.000 -0.375 0.000 1.130 572 F CB 0.742 39.297 39.000 -0.743 0.000 1.300 572 F HN 0.006 nan 8.300 nan 0.000 0.537 573 S N 1.247 117.039 115.700 0.152 0.000 2.560 573 S HA -0.119 4.368 4.470 0.028 0.000 0.276 573 S C 0.914 175.605 174.600 0.152 0.000 1.350 573 S CA -0.590 57.687 58.200 0.128 0.000 1.024 573 S CB 0.590 63.831 63.200 0.068 0.000 0.864 573 S HN 0.870 nan 8.310 nan 0.000 0.536 574 M N 0.405 120.069 119.600 0.107 0.000 2.117 574 M HA -0.141 4.356 4.480 0.028 0.000 0.262 574 M C 1.701 178.045 176.300 0.073 0.000 1.065 574 M CA 2.490 57.841 55.300 0.085 0.000 1.114 574 M CB -0.645 31.998 32.600 0.071 0.000 1.361 574 M HN 0.969 nan 8.290 nan 0.000 0.408 575 D N -0.807 119.637 120.400 0.074 0.000 2.144 575 D HA -0.232 4.425 4.640 0.028 0.000 0.200 575 D C 1.824 178.163 176.300 0.064 0.000 0.978 575 D CA 1.322 55.356 54.000 0.057 0.000 0.833 575 D CB -0.303 40.526 40.800 0.047 0.000 0.961 575 D HN 0.547 nan 8.370 nan 0.000 0.470 576 Y N 0.883 121.173 120.300 -0.016 0.000 2.145 576 Y HA -0.105 4.462 4.550 0.028 0.000 0.286 576 Y C 1.931 177.844 175.900 0.021 0.000 1.145 576 Y CA 1.550 59.637 58.100 -0.022 0.000 1.148 576 Y CB -0.387 38.041 38.460 -0.054 0.000 0.981 576 Y HN 0.028 nan 8.280 nan 0.000 0.507 577 I N 0.297 120.829 120.570 -0.063 0.000 2.226 577 I HA -0.322 3.865 4.170 0.028 0.000 0.245 577 I C 2.384 178.429 176.117 -0.120 0.000 1.100 577 I CA 1.683 62.900 61.300 -0.138 0.000 1.374 577 I CB -0.412 37.591 38.000 0.006 0.000 1.057 577 I HN 0.194 nan 8.210 nan 0.000 0.413 578 K N 0.195 120.565 120.400 -0.049 0.000 2.057 578 K HA -0.115 4.221 4.320 0.028 0.000 0.206 578 K C 2.110 178.713 176.600 0.004 0.000 1.050 578 K CA 1.864 58.142 56.287 -0.016 0.000 0.935 578 K CB -0.233 32.272 32.500 0.009 0.000 0.715 578 K HN 0.300 nan 8.250 nan 0.000 0.439 579 T N 1.051 115.603 114.554 -0.003 0.000 2.746 579 T HA -0.130 4.236 4.350 0.028 0.000 0.267 579 T C 1.978 176.809 174.700 0.217 0.000 1.039 579 T CA 1.292 63.452 62.100 0.099 0.000 1.142 579 T CB -0.232 68.648 68.868 0.021 0.000 0.866 579 T HN 0.291 nan 8.240 nan 0.000 0.444 580 A N 2.344 125.136 122.820 -0.047 0.000 1.972 580 A HA -0.108 4.228 4.320 0.028 0.000 0.219 580 A C 2.065 179.766 177.584 0.194 0.000 1.169 580 A CA 1.228 53.282 52.037 0.029 0.000 0.635 580 A CB -0.394 18.399 19.000 -0.344 0.000 0.810 580 A HN 0.388 nan 8.150 nan 0.000 0.446 581 N N -0.407 118.330 118.700 0.062 0.000 2.336 581 N HA 0.023 4.780 4.740 0.028 0.000 0.189 581 N C 0.336 175.837 175.510 -0.016 0.000 1.113 581 N CA 0.250 53.308 53.050 0.014 0.000 0.858 581 N CB 0.017 38.486 38.487 -0.029 0.000 0.970 581 N HN 0.538 nan 8.380 nan 0.000 0.471 582 K N 1.332 121.746 120.400 0.022 0.000 2.368 582 K HA 0.181 4.518 4.320 0.028 0.000 0.282 582 K C -0.635 175.754 176.600 -0.351 0.000 1.035 582 K CA -0.051 56.181 56.287 -0.092 0.000 0.973 582 K CB 0.749 33.269 32.500 0.032 0.000 0.957 582 K HN -0.267 nan 8.250 nan 0.000 0.474 583 V N 5.745 125.510 119.914 -0.248 0.000 2.427 583 V HA 0.368 4.504 4.120 0.028 0.000 0.286 583 V C -0.122 175.856 176.094 -0.192 0.000 1.034 583 V CA -0.619 61.525 62.300 -0.260 0.000 0.893 583 V CB 1.237 32.968 31.823 -0.154 0.000 0.982 583 V HN 0.676 nan 8.190 nan 0.000 0.452 584 V N 1.399 121.219 119.914 -0.156 0.000 3.160 584 V HA 0.732 4.869 4.120 0.028 0.000 0.310 584 V C -0.453 175.697 176.094 0.094 0.000 1.181 584 V CA -0.976 61.310 62.300 -0.023 0.000 1.047 584 V CB 2.192 34.016 31.823 0.000 0.000 1.068 584 V HN 0.646 nan 8.190 nan 0.000 0.441 585 E N 0.788 121.031 120.200 0.071 0.000 2.390 585 E HA 0.428 4.794 4.350 0.028 0.000 0.261 585 E C 1.346 177.938 176.600 -0.014 0.000 1.076 585 E CA 0.490 56.920 56.400 0.049 0.000 0.905 585 E CB 1.537 31.242 29.700 0.007 0.000 0.984 585 E HN 0.995 nan 8.360 nan 0.000 0.427 586 A N 2.925 125.585 122.820 -0.268 0.000 1.927 586 A HA -0.209 4.127 4.320 0.028 0.000 0.220 586 A C 2.019 179.488 177.584 -0.192 0.000 1.185 586 A CA 2.326 53.999 52.037 -0.608 0.000 0.639 586 A CB -1.010 17.562 19.000 -0.715 0.000 0.820 586 A HN 0.682 nan 8.150 nan 0.000 0.451 587 G N -1.401 107.339 108.800 -0.099 0.000 2.498 587 G HA2 0.070 4.046 3.960 0.028 0.000 0.219 587 G HA3 0.070 4.046 3.960 0.028 0.000 0.219 587 G C 0.981 175.900 174.900 0.031 0.000 1.119 587 G CA 1.087 46.170 45.100 -0.027 0.000 0.766 587 G HN 0.405 nan 8.290 nan 0.000 0.552 588 L N -1.063 120.202 121.223 0.070 0.000 2.693 588 L HA 0.434 4.791 4.340 0.028 0.000 0.235 588 L C 1.645 178.649 176.870 0.223 0.000 1.127 588 L CA -0.414 54.496 54.840 0.117 0.000 0.914 588 L CB -0.343 41.776 42.059 0.099 0.000 1.193 588 L HN 0.123 nan 8.230 nan 0.000 0.502 589 F N 1.515 121.513 119.950 0.080 0.000 2.102 589 F HA -0.182 4.362 4.527 0.028 0.000 0.298 589 F C 2.389 178.324 175.800 0.225 0.000 1.105 589 F CA 1.462 59.583 58.000 0.201 0.000 1.239 589 F CB -0.228 38.895 39.000 0.206 0.000 0.991 589 F HN 0.099 nan 8.300 nan 0.000 0.474 590 A N 0.129 123.019 122.820 0.116 0.000 1.940 590 A HA -0.089 4.248 4.320 0.028 0.000 0.219 590 A C 2.512 180.052 177.584 -0.074 0.000 1.176 590 A CA 1.772 53.779 52.037 -0.049 0.000 0.631 590 A CB -1.800 17.201 19.000 0.001 0.000 0.814 590 A HN 0.511 nan 8.150 nan 0.000 0.446 591 G N -1.555 107.252 108.800 0.011 0.000 2.421 591 G HA2 -0.294 3.682 3.960 0.028 0.000 0.216 591 G HA3 -0.294 3.682 3.960 0.028 0.000 0.216 591 G C 1.404 176.303 174.900 -0.002 0.000 1.171 591 G CA 1.119 46.223 45.100 0.007 0.000 0.775 591 G HN 0.725 nan 8.290 nan 0.000 0.543 592 W N 1.140 122.357 121.300 -0.137 0.000 2.358 592 W HA -0.089 4.587 4.660 0.027 0.000 0.303 592 W C 2.427 178.800 176.519 -0.243 0.000 1.208 592 W CA 1.759 59.012 57.345 -0.153 0.000 1.274 592 W CB -0.374 29.021 29.460 -0.108 0.000 1.138 592 W HN 0.036 nan 8.180 nan 0.000 0.515 593 V N 1.589 121.236 119.914 -0.444 0.000 2.332 593 V HA -0.358 3.779 4.120 0.028 0.000 0.248 593 V C 2.525 178.294 176.094 -0.541 0.000 1.055 593 V CA 2.455 64.332 62.300 -0.705 0.000 1.038 593 V CB -1.111 30.349 31.823 -0.605 0.000 0.651 593 V HN 0.255 nan 8.190 nan 0.000 0.450 594 K N -0.301 119.886 120.400 -0.355 0.000 2.097 594 K HA -0.252 4.084 4.320 0.028 0.000 0.206 594 K C 2.271 178.718 176.600 -0.255 0.000 1.049 594 K CA 1.838 57.971 56.287 -0.257 0.000 0.933 594 K CB -0.084 32.315 32.500 -0.169 0.000 0.717 594 K HN 0.563 nan 8.250 nan 0.000 0.442 595 Q N 0.371 119.996 119.800 -0.292 0.000 2.020 595 Q HA -0.155 4.201 4.340 0.028 0.000 0.198 595 Q C 2.132 177.951 176.000 -0.302 0.000 0.974 595 Q CA 1.360 57.014 55.803 -0.249 0.000 0.829 595 Q CB -0.080 28.537 28.738 -0.201 0.000 0.894 595 Q HN 0.310 nan 8.270 nan 0.000 0.433 596 I N 0.140 120.380 120.570 -0.549 0.000 2.315 596 I HA -0.203 3.983 4.170 0.028 0.000 0.248 596 I C 1.995 177.980 176.117 -0.219 0.000 1.117 596 I CA 0.923 61.943 61.300 -0.466 0.000 1.404 596 I CB -0.226 37.239 38.000 -0.892 0.000 1.071 596 I HN 0.064 nan 8.210 nan 0.000 0.419 597 V N 0.860 120.596 119.914 -0.296 0.000 2.343 597 V HA -0.295 3.841 4.120 0.028 0.000 0.247 597 V C 2.310 178.368 176.094 -0.061 0.000 1.051 597 V CA 2.203 64.400 62.300 -0.171 0.000 1.036 597 V CB -1.117 30.559 31.823 -0.245 0.000 0.654 597 V HN 0.557 nan 8.190 nan 0.000 0.451 598 N N 0.349 118.986 118.700 -0.106 0.000 2.166 598 N HA -0.189 4.568 4.740 0.028 0.000 0.186 598 N C 1.449 176.927 175.510 -0.054 0.000 1.019 598 N CA 1.662 54.668 53.050 -0.074 0.000 0.856 598 N CB -0.192 38.240 38.487 -0.093 0.000 0.993 598 N HN 0.427 nan 8.380 nan 0.000 0.426 599 D N -0.504 119.872 120.400 -0.040 0.000 2.144 599 D HA -0.153 4.503 4.640 0.028 0.000 0.199 599 D C 1.503 177.739 176.300 -0.106 0.000 0.984 599 D CA 0.657 54.643 54.000 -0.023 0.000 0.834 599 D CB -0.476 40.381 40.800 0.094 0.000 0.955 599 D HN 0.351 nan 8.370 nan 0.000 0.465 600 F N 1.276 121.133 119.950 -0.156 0.000 2.102 600 F HA -0.237 4.308 4.527 0.030 0.000 0.298 600 F C 2.187 177.760 175.800 -0.377 0.000 1.105 600 F CA 1.112 58.912 58.000 -0.333 0.000 1.239 600 F CB -0.112 38.835 39.000 -0.089 0.000 0.991 600 F HN -0.206 nan 8.300 nan 0.000 0.474 601 V N 0.940 120.876 119.914 0.037 0.000 2.343 601 V HA -0.327 3.809 4.120 0.028 0.000 0.247 601 V C 2.386 178.367 176.094 -0.188 0.000 1.051 601 V CA 2.110 64.396 62.300 -0.023 0.000 1.036 601 V CB -0.668 31.167 31.823 0.019 0.000 0.654 601 V HN 0.384 nan 8.190 nan 0.000 0.451 602 I N -0.336 120.109 120.570 -0.209 0.000 2.127 602 I HA -0.208 3.978 4.170 0.028 0.000 0.241 602 I C 2.741 178.651 176.117 -0.344 0.000 1.075 602 I CA 1.485 62.656 61.300 -0.216 0.000 1.334 602 I CB -0.509 37.389 38.000 -0.171 0.000 1.040 602 I HN 0.312 nan 8.210 nan 0.000 0.405 603 E N 0.997 120.822 120.200 -0.625 0.000 2.058 603 E HA -0.245 4.121 4.350 0.028 0.000 0.194 603 E C 2.310 178.393 176.600 -0.862 0.000 0.997 603 E CA 1.668 57.482 56.400 -0.977 0.000 0.801 603 E CB -0.380 28.120 29.700 -2.000 0.000 0.746 603 E HN 0.532 nan 8.360 nan 0.000 0.450 604 A N 1.411 123.700 122.820 -0.885 0.000 1.933 604 A HA -0.178 4.159 4.320 0.028 0.000 0.218 604 A C 1.876 179.450 177.584 -0.017 0.000 1.175 604 A CA 1.539 53.371 52.037 -0.341 0.000 0.628 604 A CB -0.813 18.018 19.000 -0.282 0.000 0.814 604 A HN 0.297 nan 8.150 nan 0.000 0.444 605 N N -0.531 118.111 118.700 -0.095 0.000 2.520 605 N HA -0.085 4.672 4.740 0.028 0.000 0.185 605 N C 1.138 176.643 175.510 -0.009 0.000 1.068 605 N CA 0.504 53.536 53.050 -0.029 0.000 0.911 605 N CB -0.096 38.358 38.487 -0.055 0.000 0.961 605 N HN 0.466 nan 8.380 nan 0.000 0.446 606 K N 0.670 121.081 120.400 0.019 0.000 2.574 606 K HA -0.036 4.300 4.320 0.028 0.000 0.193 606 K C 1.720 178.301 176.600 -0.032 0.000 1.035 606 K CA 0.621 56.920 56.287 0.021 0.000 0.982 606 K CB 0.047 32.592 32.500 0.075 0.000 0.795 606 K HN 0.231 nan 8.250 nan 0.000 0.491 607 S N 1.195 116.890 115.700 -0.008 0.000 2.555 607 S HA -0.101 4.385 4.470 0.028 0.000 0.230 607 S C 1.137 175.650 174.600 -0.144 0.000 0.978 607 S CA 0.955 59.056 58.200 -0.166 0.000 0.934 607 S CB -0.338 62.843 63.200 -0.031 0.000 0.766 607 S HN 0.384 nan 8.310 nan 0.000 0.533 608 N N 0.587 119.236 118.700 -0.084 0.000 2.251 608 N HA 0.098 4.854 4.740 0.028 0.000 0.217 608 N C -0.460 174.999 175.510 -0.084 0.000 1.124 608 N CA -0.162 52.846 53.050 -0.069 0.000 0.843 608 N CB -0.679 37.785 38.487 -0.038 0.000 1.024 608 N HN 0.062 nan 8.380 nan 0.000 0.501 609 T N 1.643 116.127 114.554 -0.116 0.000 2.908 609 T HA 0.088 4.455 4.350 0.028 0.000 0.301 609 T C 0.396 175.036 174.700 -0.100 0.000 1.019 609 T CA 0.339 62.375 62.100 -0.106 0.000 1.152 609 T CB 0.334 69.130 68.868 -0.120 0.000 0.966 609 T HN 0.197 nan 8.240 nan 0.000 0.540 610 M N 2.453 122.006 119.600 -0.078 0.000 2.528 610 M HA 0.384 4.881 4.480 0.028 0.000 0.318 610 M C 0.108 176.375 176.300 -0.056 0.000 1.195 610 M CA -0.566 54.696 55.300 -0.063 0.000 1.000 610 M CB 1.326 33.888 32.600 -0.064 0.000 1.615 610 M HN 0.423 nan 8.290 nan 0.000 0.469 611 D N 0.289 120.667 120.400 -0.036 0.000 2.992 611 D HA 0.169 4.825 4.640 0.028 0.000 0.372 611 D C 0.543 176.829 176.300 -0.022 0.000 1.374 611 D CA 0.007 53.993 54.000 -0.023 0.000 0.769 611 D CB 0.436 41.236 40.800 -0.001 0.000 1.215 611 D HN 0.298 nan 8.370 nan 0.000 0.473 612 K N 0.231 120.606 120.400 -0.042 0.000 2.113 612 K HA -0.131 4.206 4.320 0.028 0.000 0.208 612 K C 1.755 178.319 176.600 -0.061 0.000 1.047 612 K CA 0.639 56.897 56.287 -0.047 0.000 0.928 612 K CB -0.032 32.430 32.500 -0.063 0.000 0.716 612 K HN 0.360 nan 8.250 nan 0.000 0.446 613 I N 0.831 121.362 120.570 -0.064 0.000 2.567 613 I HA -0.153 4.034 4.170 0.028 0.000 0.257 613 I C 1.486 177.526 176.117 -0.129 0.000 1.184 613 I CA 0.983 62.224 61.300 -0.099 0.000 1.451 613 I CB -0.181 37.791 38.000 -0.046 0.000 1.089 613 I HN 0.060 nan 8.210 nan 0.000 0.441 614 A N -0.770 122.013 122.820 -0.063 0.000 2.379 614 A HA 0.169 4.505 4.320 0.028 0.000 0.236 614 A C 0.619 178.179 177.584 -0.041 0.000 1.272 614 A CA 0.323 52.334 52.037 -0.044 0.000 0.886 614 A CB -0.377 18.624 19.000 0.002 0.000 0.962 614 A HN 0.467 nan 8.150 nan 0.000 0.504 615 D N -0.795 119.576 120.400 -0.049 0.000 2.800 615 D HA -0.147 4.509 4.640 0.028 0.000 0.232 615 D C -0.428 175.871 176.300 -0.001 0.000 1.137 615 D CA 1.103 55.086 54.000 -0.029 0.000 0.718 615 D CB -1.292 39.479 40.800 -0.048 0.000 1.084 615 D HN 0.565 nan 8.370 nan 0.000 0.432 616 I N 0.497 121.080 120.570 0.022 0.000 2.476 616 I HA 0.078 4.265 4.170 0.028 0.000 0.281 616 I C 1.342 177.489 176.117 0.050 0.000 1.040 616 I CA -0.461 60.884 61.300 0.075 0.000 1.094 616 I CB 1.803 39.895 38.000 0.154 0.000 1.219 616 I HN -0.263 nan 8.210 nan 0.000 0.450 617 S N 4.665 120.391 115.700 0.043 0.000 2.383 617 S HA -0.003 4.484 4.470 0.028 0.000 0.227 617 S C 0.310 174.923 174.600 0.022 0.000 1.026 617 S CA 0.955 59.167 58.200 0.020 0.000 0.981 617 S CB -0.017 63.191 63.200 0.013 0.000 0.818 617 S HN 0.462 nan 8.310 nan 0.000 0.472 618 L N 0.395 121.658 121.223 0.066 0.000 2.408 618 L HA 0.780 5.137 4.340 0.028 0.000 0.268 618 L C -1.473 175.398 176.870 0.002 0.000 0.986 618 L CA -0.692 54.173 54.840 0.043 0.000 0.820 618 L CB 1.972 44.095 42.059 0.108 0.000 1.303 618 L HN 0.076 nan 8.230 nan 0.000 0.411 619 I N 4.539 124.959 120.570 -0.249 0.000 2.649 619 I HA 0.463 4.649 4.170 0.028 0.000 0.289 619 I C -1.465 174.242 176.117 -0.685 0.000 1.222 619 I CA -0.261 60.677 61.300 -0.603 0.000 1.046 619 I CB 2.275 40.075 38.000 -0.334 0.000 1.272 619 I HN 0.268 nan 8.210 nan 0.000 0.425 620 V N 11.034 130.288 119.914 -1.102 0.000 2.284 620 V HA 0.316 4.453 4.120 0.028 0.000 0.260 620 V C -1.328 174.391 176.094 -0.625 0.000 1.084 620 V CA -0.948 60.839 62.300 -0.855 0.000 0.894 620 V CB 0.453 31.736 31.823 -0.900 0.000 1.119 620 V HN 0.703 nan 8.190 nan 0.000 0.484 621 P HA -0.205 nan 4.420 nan 0.000 0.217 621 P C 1.056 178.341 177.300 -0.024 0.000 1.148 621 P CA 1.708 64.768 63.100 -0.066 0.000 0.828 621 P CB 0.041 31.729 31.700 -0.021 0.000 0.783 622 Y N -2.457 117.814 120.300 -0.048 0.000 2.466 622 Y HA 0.298 4.864 4.550 0.028 0.000 0.272 622 Y C 2.163 177.855 175.900 -0.346 0.000 1.169 622 Y CA -0.949 57.106 58.100 -0.074 0.000 1.285 622 Y CB -1.703 36.850 38.460 0.155 0.000 1.078 622 Y HN -0.191 nan 8.280 nan 0.000 0.523 623 I N 1.205 121.475 120.570 -0.499 0.000 2.208 623 I HA -0.246 3.940 4.170 0.028 0.000 0.245 623 I C 2.662 178.414 176.117 -0.608 0.000 1.097 623 I CA 1.700 62.669 61.300 -0.552 0.000 1.363 623 I CB -0.766 36.885 38.000 -0.581 0.000 1.051 623 I HN 0.506 nan 8.210 nan 0.000 0.413 624 G N 1.056 109.310 108.800 -0.911 0.000 2.446 624 G HA2 -0.207 3.769 3.960 0.028 0.000 0.217 624 G HA3 -0.207 3.769 3.960 0.028 0.000 0.217 624 G C 1.713 176.461 174.900 -0.253 0.000 1.168 624 G CA 0.489 45.238 45.100 -0.585 0.000 0.771 624 G HN 0.280 nan 8.290 nan 0.000 0.551 625 L N 0.549 121.722 121.223 -0.083 0.000 2.141 625 L HA 0.014 4.370 4.340 0.028 0.000 0.209 625 L C 3.335 180.379 176.870 0.291 0.000 1.094 625 L CA 0.798 55.752 54.840 0.189 0.000 0.763 625 L CB -0.248 41.992 42.059 0.301 0.000 0.908 625 L HN 0.321 nan 8.230 nan 0.000 0.437 626 A N -0.191 122.556 122.820 -0.122 0.000 1.897 626 A HA -0.041 4.295 4.320 0.028 0.000 0.215 626 A C 2.016 179.626 177.584 0.044 0.000 1.181 626 A CA 1.339 53.169 52.037 -0.346 0.000 0.620 626 A CB -0.169 18.097 19.000 -1.224 0.000 0.821 626 A HN 0.425 nan 8.150 nan 0.000 0.443 627 L N -3.028 118.120 121.223 -0.124 0.000 2.803 627 L HA 0.230 4.587 4.340 0.028 0.000 0.246 627 L C 0.724 177.309 176.870 -0.475 0.000 1.100 627 L CA 0.384 55.136 54.840 -0.148 0.000 0.919 627 L CB -0.004 41.961 42.059 -0.157 0.000 1.285 627 L HN 0.394 nan 8.230 nan 0.000 0.522 628 N N 1.055 119.370 118.700 -0.641 0.000 2.727 628 N HA -0.194 4.563 4.740 0.028 0.000 0.249 628 N C -0.378 174.854 175.510 -0.463 0.000 1.048 628 N CA 0.529 53.122 53.050 -0.763 0.000 0.714 628 N CB -1.011 36.513 38.487 -1.605 0.000 0.959 628 N HN 0.175 nan 8.380 nan 0.000 0.544 629 V N -0.258 119.469 119.914 -0.310 0.000 2.953 629 V HA 0.680 4.817 4.120 0.028 0.000 0.304 629 V C 1.654 177.635 176.094 -0.188 0.000 1.073 629 V CA 1.013 63.180 62.300 -0.222 0.000 1.064 629 V CB 0.842 32.591 31.823 -0.124 0.000 1.047 629 V HN 0.927 nan 8.190 nan 0.000 0.478 630 G N 4.724 113.377 108.800 -0.245 0.000 2.527 630 G HA2 -0.323 3.653 3.960 0.028 0.000 0.268 630 G HA3 -0.323 3.653 3.960 0.028 0.000 0.268 630 G C 0.165 174.979 174.900 -0.144 0.000 1.175 630 G CA 0.498 45.473 45.100 -0.208 0.000 0.962 630 G HN 1.274 nan 8.290 nan 0.000 0.560 631 N N 2.784 121.444 118.700 -0.066 0.000 2.807 631 N HA 0.289 5.046 4.740 0.028 0.000 0.259 631 N C 0.501 176.003 175.510 -0.014 0.000 1.149 631 N CA 0.791 53.821 53.050 -0.033 0.000 1.042 631 N CB -0.718 37.766 38.487 -0.006 0.000 1.367 631 N HN 0.557 nan 8.380 nan 0.000 0.516 632 E N 0.351 120.520 120.200 -0.053 0.000 2.165 632 E HA -0.246 4.121 4.350 0.028 0.000 0.203 632 E C 0.219 176.804 176.600 -0.025 0.000 1.335 632 E CA 0.954 57.318 56.400 -0.060 0.000 0.708 632 E CB -1.491 28.198 29.700 -0.019 0.000 1.105 632 E HN 0.777 nan 8.360 nan 0.000 0.346 633 T N -3.541 110.992 114.554 -0.036 0.000 3.098 633 T HA 0.127 4.494 4.350 0.028 0.000 0.266 633 T C 1.617 176.319 174.700 0.002 0.000 1.145 633 T CA 0.723 62.860 62.100 0.062 0.000 1.092 633 T CB 0.220 69.112 68.868 0.040 0.000 0.908 633 T HN 0.349 nan 8.240 nan 0.000 0.526 634 A N 0.859 123.620 122.820 -0.099 0.000 2.178 634 A HA 0.277 4.613 4.320 0.028 0.000 0.211 634 A C 1.019 178.641 177.584 0.064 0.000 1.157 634 A CA -0.012 51.996 52.037 -0.050 0.000 0.780 634 A CB -0.044 18.845 19.000 -0.185 0.000 0.828 634 A HN 0.496 nan 8.150 nan 0.000 0.476 635 K N -0.313 120.123 120.400 0.059 0.000 2.110 635 K HA 0.502 4.839 4.320 0.028 0.000 0.263 635 K C 0.720 177.385 176.600 0.108 0.000 0.975 635 K CA 0.229 56.569 56.287 0.088 0.000 0.895 635 K CB 1.241 33.781 32.500 0.066 0.000 1.060 635 K HN 0.449 nan 8.250 nan 0.000 0.448 636 G N 2.167 111.033 108.800 0.110 0.000 2.645 636 G HA2 -0.290 3.687 3.960 0.028 0.000 0.239 636 G HA3 -0.290 3.687 3.960 0.028 0.000 0.239 636 G C -0.693 174.287 174.900 0.133 0.000 1.331 636 G CA -0.586 44.579 45.100 0.108 0.000 0.890 636 G HN 0.698 nan 8.290 nan 0.000 0.572 637 N N 0.444 119.218 118.700 0.124 0.000 2.426 637 N HA 0.361 5.117 4.740 0.028 0.000 0.257 637 N C 1.143 176.753 175.510 0.168 0.000 1.002 637 N CA -0.132 53.002 53.050 0.140 0.000 0.942 637 N CB 0.810 39.357 38.487 0.101 0.000 1.112 637 N HN 0.499 nan 8.380 nan 0.000 0.499 638 F N 4.192 124.180 119.950 0.062 0.000 2.095 638 F HA -0.137 4.390 4.527 0.001 0.000 0.298 638 F C 2.179 178.035 175.800 0.093 0.000 1.104 638 F CA 1.672 59.711 58.000 0.065 0.000 1.232 638 F CB -0.038 38.976 39.000 0.023 0.000 0.987 638 F HN 0.685 nan 8.300 nan 0.000 0.475 639 E N -0.020 120.145 120.200 -0.058 0.000 2.058 639 E HA -0.344 4.023 4.350 0.028 0.000 0.194 639 E C 2.086 178.645 176.600 -0.068 0.000 0.997 639 E CA 1.598 57.922 56.400 -0.126 0.000 0.801 639 E CB -0.424 29.262 29.700 -0.022 0.000 0.746 639 E HN 0.524 nan 8.360 nan 0.000 0.450 640 N N 0.224 118.915 118.700 -0.015 0.000 2.058 640 N HA -0.178 4.579 4.740 0.028 0.000 0.191 640 N C 1.710 177.207 175.510 -0.021 0.000 1.037 640 N CA 2.103 55.156 53.050 0.005 0.000 0.848 640 N CB -0.358 38.149 38.487 0.033 0.000 1.021 640 N HN 0.204 nan 8.380 nan 0.000 0.422 641 A N -0.600 122.202 122.820 -0.031 0.000 1.940 641 A HA -0.119 4.218 4.320 0.028 0.000 0.219 641 A C 2.183 179.721 177.584 -0.077 0.000 1.176 641 A CA 1.303 53.322 52.037 -0.031 0.000 0.631 641 A CB -1.195 17.822 19.000 0.029 0.000 0.814 641 A HN 0.516 nan 8.150 nan 0.000 0.446 642 F N 0.933 120.675 119.950 -0.348 0.000 2.146 642 F HA -0.101 4.435 4.527 0.015 0.000 0.298 642 F C 2.211 177.922 175.800 -0.148 0.000 1.096 642 F CA 1.973 59.784 58.000 -0.315 0.000 1.275 642 F CB -0.268 38.417 39.000 -0.525 0.000 1.008 642 F HN 0.373 nan 8.300 nan 0.000 0.480 643 E N 0.233 120.396 120.200 -0.061 0.000 2.160 643 E HA -0.222 4.144 4.350 0.028 0.000 0.195 643 E C 2.322 178.838 176.600 -0.140 0.000 0.991 643 E CA 1.664 58.012 56.400 -0.087 0.000 0.810 643 E CB -0.239 29.457 29.700 -0.006 0.000 0.742 643 E HN 0.495 nan 8.360 nan 0.000 0.466 644 I N 0.335 120.833 120.570 -0.119 0.000 2.277 644 I HA -0.135 4.052 4.170 0.028 0.000 0.243 644 I C 2.197 178.231 176.117 -0.138 0.000 1.094 644 I CA 1.015 62.253 61.300 -0.102 0.000 1.393 644 I CB 0.034 37.997 38.000 -0.062 0.000 1.078 644 I HN 0.049 nan 8.210 nan 0.000 0.417 645 A N -0.160 122.557 122.820 -0.171 0.000 2.324 645 A HA 0.510 4.846 4.320 0.028 0.000 0.220 645 A C 1.229 178.659 177.584 -0.255 0.000 1.209 645 A CA 0.524 52.465 52.037 -0.161 0.000 0.918 645 A CB -0.177 18.776 19.000 -0.077 0.000 0.959 645 A HN 0.462 nan 8.150 nan 0.000 0.507 646 G N -0.767 107.714 108.800 -0.533 0.000 2.601 646 G HA2 0.049 4.026 3.960 0.028 0.000 0.252 646 G HA3 0.049 4.026 3.960 0.028 0.000 0.252 646 G C 1.228 175.864 174.900 -0.440 0.000 1.294 646 G CA 0.596 45.164 45.100 -0.887 0.000 0.912 646 G HN 1.474 nan 8.290 nan 0.000 0.574 647 A N -1.093 121.658 122.820 -0.116 0.000 1.986 647 A HA 0.018 4.355 4.320 0.028 0.000 0.220 647 A C 2.770 180.592 177.584 0.397 0.000 1.171 647 A CA 3.189 55.427 52.037 0.336 0.000 0.640 647 A CB -0.859 18.318 19.000 0.295 0.000 0.811 647 A HN 1.629 nan 8.150 nan 0.000 0.451 648 S N -0.134 115.733 115.700 0.278 0.000 2.420 648 S HA -0.199 4.288 4.470 0.028 0.000 0.237 648 S C 1.754 176.431 174.600 0.128 0.000 1.023 648 S CA 1.518 59.858 58.200 0.234 0.000 0.991 648 S CB -0.744 62.575 63.200 0.198 0.000 0.792 648 S HN 0.838 nan 8.310 nan 0.000 0.488 649 I N -1.338 119.326 120.570 0.156 0.000 2.676 649 I HA 0.002 4.188 4.170 0.028 0.000 0.259 649 I C 1.619 177.837 176.117 0.167 0.000 1.194 649 I CA 1.228 62.617 61.300 0.149 0.000 1.473 649 I CB -0.337 37.778 38.000 0.191 0.000 1.096 649 I HN 0.162 nan 8.210 nan 0.000 0.443 650 L N 1.029 122.401 121.223 0.248 0.000 2.418 650 L HA 0.192 4.549 4.340 0.028 0.000 0.218 650 L C 1.032 177.861 176.870 -0.068 0.000 1.125 650 L CA 0.088 55.044 54.840 0.192 0.000 0.835 650 L CB -0.095 42.224 42.059 0.434 0.000 0.953 650 L HN 0.215 nan 8.230 nan 0.000 0.454 651 L N 0.674 121.791 121.223 -0.177 0.000 2.455 651 L HA -0.050 4.307 4.340 0.028 0.000 0.272 651 L C 1.448 178.091 176.870 -0.377 0.000 1.174 651 L CA -0.065 54.545 54.840 -0.383 0.000 0.869 651 L CB 0.829 42.643 42.059 -0.408 0.000 1.130 651 L HN 0.032 nan 8.230 nan 0.000 0.474 652 E N 2.607 122.452 120.200 -0.592 0.000 2.274 652 E HA -0.050 4.316 4.350 0.028 0.000 0.194 652 E C -0.588 175.665 176.600 -0.578 0.000 0.996 652 E CA 0.767 56.637 56.400 -0.884 0.000 0.840 652 E CB 0.279 28.846 29.700 -1.889 0.000 0.772 652 E HN 0.384 nan 8.360 nan 0.000 0.491 653 F N -0.211 119.456 119.950 -0.472 0.000 2.615 653 F HA 0.359 4.904 4.527 0.030 0.000 0.312 653 F C -1.559 174.150 175.800 -0.152 0.000 1.119 653 F CA -1.217 56.674 58.000 -0.182 0.000 0.979 653 F CB 1.108 40.129 39.000 0.034 0.000 1.266 653 F HN -0.311 nan 8.300 nan 0.000 0.444 654 I N 6.583 126.711 120.570 -0.736 0.000 2.301 654 I HA 0.289 4.475 4.170 0.028 0.000 0.292 654 I C -2.207 173.422 176.117 -0.814 0.000 1.046 654 I CA -2.217 58.755 61.300 -0.546 0.000 1.282 654 I CB 0.596 38.410 38.000 -0.309 0.000 1.409 654 I HN 0.396 nan 8.210 nan 0.000 0.484 655 P HA 0.134 nan 4.420 nan 0.000 0.271 655 P C -0.464 176.789 177.300 -0.079 0.000 1.218 655 P CA -0.227 62.808 63.100 -0.107 0.000 0.780 655 P CB 0.616 32.371 31.700 0.092 0.000 0.901 656 E N 2.085 122.288 120.200 0.006 0.000 2.089 656 E HA 0.209 4.575 4.350 0.028 0.000 0.284 656 E C -0.271 176.348 176.600 0.032 0.000 1.023 656 E CA -0.394 56.012 56.400 0.010 0.000 0.819 656 E CB 0.361 30.089 29.700 0.046 0.000 1.076 656 E HN 0.350 nan 8.360 nan 0.000 0.396 657 L N 3.262 124.483 121.223 -0.004 0.000 2.395 657 L HA 0.233 4.590 4.340 0.028 0.000 0.269 657 L C -0.021 176.829 176.870 -0.035 0.000 1.133 657 L CA -0.787 54.031 54.840 -0.037 0.000 0.812 657 L CB 0.305 42.328 42.059 -0.059 0.000 1.125 657 L HN 0.363 nan 8.230 nan 0.000 0.452 658 L N 4.666 125.853 121.223 -0.060 0.000 2.255 658 L HA 0.456 4.813 4.340 0.028 0.000 0.289 658 L C -0.531 176.300 176.870 -0.066 0.000 1.046 658 L CA 0.460 55.287 54.840 -0.022 0.000 0.816 658 L CB 0.238 42.324 42.059 0.044 0.000 1.197 658 L HN 0.377 nan 8.230 nan 0.000 0.427 659 I N 7.924 128.458 120.570 -0.059 0.000 2.641 659 I HA 0.294 4.480 4.170 0.028 0.000 0.275 659 I C -2.176 173.897 176.117 -0.073 0.000 1.129 659 I CA -1.353 59.897 61.300 -0.084 0.000 1.094 659 I CB 1.297 39.241 38.000 -0.093 0.000 1.232 659 I HN 0.512 nan 8.210 nan 0.000 0.503 660 P HA 0.123 nan 4.420 nan 0.000 0.272 660 P C -0.192 177.060 177.300 -0.079 0.000 1.223 660 P CA -0.142 62.923 63.100 -0.060 0.000 0.784 660 P CB 1.582 33.252 31.700 -0.049 0.000 0.923 661 V N 3.245 123.128 119.914 -0.051 0.000 2.439 661 V HA -0.008 4.128 4.120 0.028 0.000 0.271 661 V C 0.853 176.916 176.094 -0.051 0.000 1.040 661 V CA -0.383 61.892 62.300 -0.041 0.000 1.002 661 V CB 0.768 32.586 31.823 -0.009 0.000 1.000 661 V HN 0.279 nan 8.190 nan 0.000 0.477 662 V N 5.494 125.347 119.914 -0.102 0.000 2.617 662 V HA 0.139 4.276 4.120 0.028 0.000 0.304 662 V C 1.366 177.461 176.094 0.002 0.000 1.040 662 V CA 0.450 62.639 62.300 -0.185 0.000 1.149 662 V CB 0.295 31.743 31.823 -0.625 0.000 0.914 662 V HN 1.014 nan 8.190 nan 0.000 0.487 663 G N 3.614 112.431 108.800 0.028 0.000 2.554 663 G HA2 0.423 4.399 3.960 0.028 0.000 0.238 663 G HA3 0.423 4.399 3.960 0.028 0.000 0.238 663 G C 0.335 175.406 174.900 0.286 0.000 1.259 663 G CA 0.107 45.283 45.100 0.127 0.000 0.843 663 G HN 1.244 nan 8.290 nan 0.000 0.582 664 A N 0.547 123.515 122.820 0.248 0.000 2.366 664 A HA 0.594 4.931 4.320 0.028 0.000 0.249 664 A C -0.624 177.245 177.584 0.476 0.000 1.084 664 A CA -0.189 52.024 52.037 0.293 0.000 0.794 664 A CB 0.261 19.356 19.000 0.157 0.000 1.034 664 A HN 0.441 nan 8.150 nan 0.000 0.491 665 F N 0.258 120.263 119.950 0.090 0.000 2.420 665 F HA 0.459 5.003 4.527 0.028 0.000 0.342 665 F C 0.094 175.889 175.800 -0.007 0.000 1.113 665 F CA -0.920 57.109 58.000 0.047 0.000 1.059 665 F CB 1.384 40.410 39.000 0.042 0.000 1.128 665 F HN 0.289 nan 8.300 nan 0.000 0.475 666 L N 5.587 126.860 121.223 0.082 0.000 2.277 666 L HA 0.400 4.757 4.340 0.028 0.000 0.284 666 L C -0.635 176.203 176.870 -0.054 0.000 1.028 666 L CA -0.413 54.437 54.840 0.016 0.000 0.835 666 L CB 0.719 42.776 42.059 -0.003 0.000 1.215 666 L HN 0.370 nan 8.230 nan 0.000 0.425 667 L N 2.570 123.741 121.223 -0.087 0.000 2.319 667 L HA 0.293 4.649 4.340 0.028 0.000 0.280 667 L C 0.414 177.194 176.870 -0.150 0.000 1.099 667 L CA -0.427 54.269 54.840 -0.241 0.000 0.828 667 L CB 0.871 42.549 42.059 -0.636 0.000 1.150 667 L HN 0.491 nan 8.230 nan 0.000 0.442 668 E N 2.088 122.156 120.200 -0.219 0.000 2.316 668 E HA 0.127 4.494 4.350 0.028 0.000 0.275 668 E C -0.685 175.645 176.600 -0.449 0.000 1.029 668 E CA -0.017 56.190 56.400 -0.323 0.000 0.871 668 E CB 0.901 30.348 29.700 -0.421 0.000 1.022 668 E HN 0.489 nan 8.360 nan 0.000 0.418 669 S N 4.077 119.592 115.700 -0.308 0.000 2.548 669 S HA 0.217 4.704 4.470 0.028 0.000 0.277 669 S C -0.585 173.808 174.600 -0.345 0.000 1.315 669 S CA -0.218 57.838 58.200 -0.239 0.000 1.050 669 S CB 0.191 63.313 63.200 -0.131 0.000 0.918 669 S HN 0.490 nan 8.310 nan 0.000 0.497 670 Y N 2.239 122.505 120.300 -0.056 0.000 2.490 670 Y HA 0.288 4.854 4.550 0.028 0.000 0.346 670 Y C 0.436 176.194 175.900 -0.237 0.000 1.023 670 Y CA -0.986 57.058 58.100 -0.092 0.000 1.142 670 Y CB 0.177 38.624 38.460 -0.021 0.000 1.126 670 Y HN 0.627 nan 8.280 nan 0.000 0.647 671 I N -1.055 119.381 120.570 -0.223 0.000 2.828 671 I HA -0.020 4.166 4.170 0.028 0.000 0.292 671 I C 0.087 176.098 176.117 -0.177 0.000 1.206 671 I CA 0.577 61.534 61.300 -0.572 0.000 1.420 671 I CB 0.521 38.281 38.000 -0.400 0.000 1.368 671 I HN 0.559 nan 8.210 nan 0.000 0.556 672 D N 1.823 122.248 120.400 0.042 0.000 2.078 672 D HA -0.226 4.431 4.640 0.028 0.000 0.169 672 D C 0.273 176.659 176.300 0.143 0.000 1.364 672 D CA 1.300 55.480 54.000 0.299 0.000 1.286 672 D CB -0.892 40.015 40.800 0.179 0.000 1.274 672 D HN 0.798 nan 8.370 nan 0.000 0.522 673 N N 1.119 119.853 118.700 0.057 0.000 2.401 673 N HA 0.070 4.826 4.740 0.028 0.000 0.255 673 N C 0.987 176.535 175.510 0.064 0.000 1.110 673 N CA 0.320 53.380 53.050 0.016 0.000 0.949 673 N CB 1.123 39.563 38.487 -0.078 0.000 1.110 673 N HN 0.291 nan 8.380 nan 0.000 0.490 674 K N 3.519 123.957 120.400 0.064 0.000 2.116 674 K HA -0.025 4.311 4.320 0.028 0.000 0.203 674 K C 0.846 177.496 176.600 0.083 0.000 1.052 674 K CA 0.959 57.299 56.287 0.088 0.000 0.952 674 K CB 0.280 32.825 32.500 0.075 0.000 0.729 674 K HN 0.392 nan 8.250 nan 0.000 0.446 675 N N 0.924 119.648 118.700 0.040 0.000 2.109 675 N HA -0.088 4.668 4.740 0.028 0.000 0.188 675 N C 1.443 176.989 175.510 0.059 0.000 1.034 675 N CA 1.320 54.394 53.050 0.040 0.000 0.846 675 N CB 0.035 38.520 38.487 -0.003 0.000 1.010 675 N HN 0.100 nan 8.380 nan 0.000 0.425 676 K N 0.460 120.838 120.400 -0.036 0.000 2.074 676 K HA -0.128 4.209 4.320 0.028 0.000 0.209 676 K C 1.920 178.726 176.600 0.343 0.000 1.048 676 K CA 1.102 57.372 56.287 -0.028 0.000 0.926 676 K CB -0.319 31.818 32.500 -0.606 0.000 0.713 676 K HN 0.236 nan 8.250 nan 0.000 0.444 677 I N 0.836 121.610 120.570 0.341 0.000 2.179 677 I HA -0.291 3.896 4.170 0.028 0.000 0.242 677 I C 2.292 178.603 176.117 0.323 0.000 1.088 677 I CA 1.286 62.821 61.300 0.392 0.000 1.357 677 I CB -0.289 37.865 38.000 0.257 0.000 1.051 677 I HN 0.140 nan 8.210 nan 0.000 0.409 678 I N 0.678 121.386 120.570 0.229 0.000 2.252 678 I HA -0.272 3.915 4.170 0.028 0.000 0.245 678 I C 2.473 178.697 176.117 0.178 0.000 1.102 678 I CA 1.433 62.847 61.300 0.191 0.000 1.385 678 I CB -0.368 37.727 38.000 0.158 0.000 1.064 678 I HN 0.172 nan 8.210 nan 0.000 0.414 679 K N 0.232 120.745 120.400 0.188 0.000 2.097 679 K HA -0.134 4.203 4.320 0.028 0.000 0.206 679 K C 2.098 178.807 176.600 0.182 0.000 1.049 679 K CA 1.789 58.185 56.287 0.181 0.000 0.933 679 K CB -0.333 32.297 32.500 0.217 0.000 0.717 679 K HN 0.293 nan 8.250 nan 0.000 0.442 680 T N 1.914 116.607 114.554 0.233 0.000 2.684 680 T HA -0.128 4.239 4.350 0.028 0.000 0.267 680 T C 1.919 176.655 174.700 0.059 0.000 1.036 680 T CA 1.264 63.459 62.100 0.158 0.000 1.148 680 T CB -0.238 68.728 68.868 0.163 0.000 0.863 680 T HN 0.139 nan 8.240 nan 0.000 0.436 681 I N 1.414 122.033 120.570 0.081 0.000 2.163 681 I HA -0.224 3.963 4.170 0.028 0.000 0.243 681 I C 2.396 178.551 176.117 0.063 0.000 1.085 681 I CA 1.357 62.688 61.300 0.052 0.000 1.347 681 I CB -0.476 37.591 38.000 0.111 0.000 1.044 681 I HN 0.211 nan 8.210 nan 0.000 0.408 682 D N 0.904 121.354 120.400 0.083 0.000 2.097 682 D HA -0.175 4.481 4.640 0.028 0.000 0.195 682 D C 1.810 178.161 176.300 0.085 0.000 0.989 682 D CA 1.512 55.558 54.000 0.077 0.000 0.827 682 D CB -0.681 40.169 40.800 0.084 0.000 0.966 682 D HN 0.504 nan 8.370 nan 0.000 0.456 683 N N 0.782 119.533 118.700 0.086 0.000 2.205 683 N HA -0.119 4.638 4.740 0.028 0.000 0.186 683 N C 1.812 177.387 175.510 0.109 0.000 1.015 683 N CA 0.798 53.896 53.050 0.080 0.000 0.862 683 N CB 0.025 38.544 38.487 0.054 0.000 0.986 683 N HN 0.096 nan 8.380 nan 0.000 0.429 684 A N 1.287 124.182 122.820 0.125 0.000 1.929 684 A HA -0.024 4.313 4.320 0.028 0.000 0.216 684 A C 2.157 179.917 177.584 0.292 0.000 1.176 684 A CA 0.738 52.931 52.037 0.259 0.000 0.628 684 A CB -0.449 18.669 19.000 0.197 0.000 0.816 684 A HN 0.129 nan 8.150 nan 0.000 0.444 685 L N -0.081 121.237 121.223 0.157 0.000 2.005 685 L HA -0.170 4.186 4.340 0.028 0.000 0.207 685 L C 3.091 180.053 176.870 0.154 0.000 1.072 685 L CA 1.954 56.864 54.840 0.117 0.000 0.744 685 L CB -1.235 40.860 42.059 0.060 0.000 0.895 685 L HN 0.623 nan 8.230 nan 0.000 0.433 686 T N -2.153 112.488 114.554 0.145 0.000 2.746 686 T HA -0.247 4.119 4.350 0.028 0.000 0.267 686 T C 1.865 176.698 174.700 0.222 0.000 1.039 686 T CA 1.392 63.586 62.100 0.157 0.000 1.142 686 T CB -0.280 68.667 68.868 0.131 0.000 0.866 686 T HN -0.005 nan 8.240 nan 0.000 0.444 687 K N 1.640 122.188 120.400 0.246 0.000 2.103 687 K HA -0.052 4.285 4.320 0.028 0.000 0.207 687 K C 2.518 179.384 176.600 0.443 0.000 1.048 687 K CA 1.114 57.576 56.287 0.291 0.000 0.930 687 K CB -0.512 32.135 32.500 0.244 0.000 0.716 687 K HN 0.335 nan 8.250 nan 0.000 0.444 688 R N 0.599 121.387 120.500 0.481 0.000 2.096 688 R HA -0.107 4.250 4.340 0.028 0.000 0.235 688 R C 1.178 177.742 176.300 0.441 0.000 1.127 688 R CA 1.739 58.136 56.100 0.496 0.000 0.968 688 R CB -0.537 29.961 30.300 0.330 0.000 0.861 688 R HN 0.254 nan 8.270 nan 0.000 0.440 689 N N 1.127 120.008 118.700 0.301 0.000 2.188 689 N HA -0.157 4.600 4.740 0.028 0.000 0.184 689 N C 1.556 177.271 175.510 0.341 0.000 1.018 689 N CA 1.240 54.448 53.050 0.263 0.000 0.858 689 N CB -0.263 38.331 38.487 0.178 0.000 0.989 689 N HN 0.456 nan 8.380 nan 0.000 0.426 690 E N 0.751 121.135 120.200 0.307 0.000 2.153 690 E HA -0.169 4.197 4.350 0.028 0.000 0.194 690 E C 1.155 177.811 176.600 0.093 0.000 0.988 690 E CA 0.949 57.446 56.400 0.162 0.000 0.811 690 E CB 0.227 29.894 29.700 -0.055 0.000 0.746 690 E HN 0.096 nan 8.360 nan 0.000 0.466 691 K N -0.023 120.450 120.400 0.122 0.000 2.057 691 K HA -0.155 4.182 4.320 0.028 0.000 0.206 691 K C 1.745 178.303 176.600 -0.070 0.000 1.050 691 K CA 1.060 57.320 56.287 -0.045 0.000 0.935 691 K CB -0.600 31.755 32.500 -0.241 0.000 0.715 691 K HN 0.304 nan 8.250 nan 0.000 0.439 692 W N 1.527 122.751 121.300 -0.126 0.000 2.355 692 W HA -0.115 4.562 4.660 0.028 0.000 0.309 692 W C 2.861 179.205 176.519 -0.291 0.000 1.206 692 W CA 1.736 58.922 57.345 -0.266 0.000 1.284 692 W CB -0.946 28.411 29.460 -0.171 0.000 1.145 692 W HN 0.063 nan 8.180 nan 0.000 0.502 693 S N -0.016 115.851 115.700 0.279 0.000 2.359 693 S HA -0.215 4.272 4.470 0.028 0.000 0.224 693 S C 1.540 176.342 174.600 0.336 0.000 1.035 693 S CA 2.046 60.526 58.200 0.465 0.000 1.018 693 S CB -0.576 62.972 63.200 0.579 0.000 0.876 693 S HN 0.113 nan 8.310 nan 0.000 0.448 694 D N 0.616 121.107 120.400 0.153 0.000 2.149 694 D HA -0.090 4.567 4.640 0.028 0.000 0.198 694 D C 1.822 178.108 176.300 -0.024 0.000 0.990 694 D CA 1.087 55.122 54.000 0.059 0.000 0.839 694 D CB -0.357 40.428 40.800 -0.026 0.000 0.948 694 D HN 0.385 nan 8.370 nan 0.000 0.460 695 M N -0.753 118.778 119.600 -0.115 0.000 2.132 695 M HA -0.125 4.372 4.480 0.028 0.000 0.263 695 M C 1.708 177.944 176.300 -0.106 0.000 1.065 695 M CA 1.495 56.682 55.300 -0.188 0.000 1.122 695 M CB -0.688 31.691 32.600 -0.368 0.000 1.365 695 M HN 0.150 nan 8.290 nan 0.000 0.411 696 Y N -0.793 119.434 120.300 -0.122 0.000 2.224 696 Y HA -0.145 4.421 4.550 0.027 0.000 0.289 696 Y C 2.321 177.905 175.900 -0.526 0.000 1.146 696 Y CA 0.523 58.481 58.100 -0.236 0.000 1.182 696 Y CB -0.698 37.791 38.460 0.049 0.000 0.983 696 Y HN 0.433 nan 8.280 nan 0.000 0.524 697 G N 0.074 108.619 108.800 -0.425 0.000 2.422 697 G HA2 -0.271 3.706 3.960 0.028 0.000 0.218 697 G HA3 -0.271 3.706 3.960 0.028 0.000 0.218 697 G C 1.511 176.345 174.900 -0.110 0.000 1.146 697 G CA 0.859 45.735 45.100 -0.373 0.000 0.769 697 G HN 0.311 nan 8.290 nan 0.000 0.547 698 L N 0.677 121.854 121.223 -0.077 0.000 2.083 698 L HA 0.035 4.392 4.340 0.028 0.000 0.209 698 L C 2.421 179.214 176.870 -0.128 0.000 1.083 698 L CA 1.288 56.092 54.840 -0.059 0.000 0.752 698 L CB -0.309 41.711 42.059 -0.065 0.000 0.899 698 L HN 0.084 nan 8.230 nan 0.000 0.433 699 I N -1.024 119.463 120.570 -0.137 0.000 2.202 699 I HA -0.194 3.993 4.170 0.028 0.000 0.242 699 I C 2.571 178.647 176.117 -0.068 0.000 1.091 699 I CA 1.170 62.379 61.300 -0.152 0.000 1.368 699 I CB -1.249 36.626 38.000 -0.209 0.000 1.058 699 I HN 0.101 nan 8.210 nan 0.000 0.410 700 V N 1.606 121.497 119.914 -0.038 0.000 2.287 700 V HA -0.299 3.838 4.120 0.028 0.000 0.248 700 V C 2.877 179.097 176.094 0.211 0.000 1.053 700 V CA 1.946 64.351 62.300 0.176 0.000 1.027 700 V CB -1.226 30.704 31.823 0.178 0.000 0.646 700 V HN 0.466 nan 8.190 nan 0.000 0.447 701 A N -0.826 122.057 122.820 0.106 0.000 1.883 701 A HA -0.316 4.021 4.320 0.028 0.000 0.217 701 A C 2.186 179.816 177.584 0.077 0.000 1.186 701 A CA 2.180 54.300 52.037 0.137 0.000 0.624 701 A CB -0.507 18.614 19.000 0.203 0.000 0.822 701 A HN 0.652 nan 8.150 nan 0.000 0.444 702 Q N -2.226 117.474 119.800 -0.167 0.000 2.079 702 Q HA -0.207 4.149 4.340 0.028 0.000 0.200 702 Q C 1.947 177.952 176.000 0.008 0.000 0.974 702 Q CA 1.530 57.132 55.803 -0.336 0.000 0.840 702 Q CB -0.288 28.096 28.738 -0.590 0.000 0.898 702 Q HN 0.901 nan 8.270 nan 0.000 0.430 703 W N 1.597 122.845 121.300 -0.086 0.000 2.333 703 W HA -0.182 4.491 4.660 0.022 0.000 0.316 703 W C 1.501 178.037 176.519 0.029 0.000 1.215 703 W CA 1.303 58.646 57.345 -0.002 0.000 1.278 703 W CB -0.458 29.002 29.460 -0.000 0.000 1.154 703 W HN 0.016 nan 8.180 nan 0.000 0.486 704 L N 0.946 122.049 121.223 -0.200 0.000 2.131 704 L HA -0.203 4.154 4.340 0.028 0.000 0.210 704 L C 2.542 179.227 176.870 -0.307 0.000 1.092 704 L CA 1.901 56.486 54.840 -0.426 0.000 0.759 704 L CB -0.970 40.962 42.059 -0.212 0.000 0.903 704 L HN 0.191 nan 8.230 nan 0.000 0.435 705 S N -3.184 112.432 115.700 -0.140 0.000 2.540 705 S HA 0.006 4.492 4.470 0.028 0.000 0.218 705 S C 1.449 176.101 174.600 0.087 0.000 0.977 705 S CA 0.365 58.498 58.200 -0.111 0.000 0.918 705 S CB 0.125 63.329 63.200 0.007 0.000 0.806 705 S HN 0.503 nan 8.310 nan 0.000 0.496 706 T N -2.372 112.220 114.554 0.064 0.000 2.980 706 T HA 0.336 4.703 4.350 0.028 0.000 0.252 706 T C 1.323 176.044 174.700 0.035 0.000 0.962 706 T CA 0.493 62.656 62.100 0.104 0.000 0.932 706 T CB -0.037 68.916 68.868 0.142 0.000 1.188 706 T HN 0.139 nan 8.240 nan 0.000 0.500 707 V N 1.630 121.529 119.914 -0.026 0.000 2.743 707 V HA 0.256 4.393 4.120 0.028 0.000 0.237 707 V C 2.457 178.510 176.094 -0.068 0.000 1.113 707 V CA 1.001 63.259 62.300 -0.070 0.000 1.141 707 V CB -0.510 31.386 31.823 0.122 0.000 0.873 707 V HN 0.378 nan 8.190 nan 0.000 0.486 708 N N 0.957 119.504 118.700 -0.255 0.000 2.364 708 N HA -0.157 4.600 4.740 0.028 0.000 0.183 708 N C 1.790 177.290 175.510 -0.016 0.000 1.022 708 N CA 1.830 54.763 53.050 -0.195 0.000 0.883 708 N CB -0.057 38.016 38.487 -0.690 0.000 0.965 708 N HN 0.677 nan 8.380 nan 0.000 0.438 709 T N -2.362 112.171 114.554 -0.035 0.000 2.812 709 T HA -0.096 4.270 4.350 0.028 0.000 0.264 709 T C 1.720 176.546 174.700 0.209 0.000 1.042 709 T CA 0.874 63.028 62.100 0.091 0.000 1.140 709 T CB -0.411 68.528 68.868 0.118 0.000 0.870 709 T HN 0.219 nan 8.240 nan 0.000 0.445 710 Q N 0.189 120.072 119.800 0.138 0.000 2.084 710 Q HA 0.009 4.365 4.340 0.028 0.000 0.202 710 Q C 2.028 178.071 176.000 0.072 0.000 0.978 710 Q CA 1.440 57.353 55.803 0.184 0.000 0.844 710 Q CB -0.402 28.286 28.738 -0.083 0.000 0.898 710 Q HN 0.600 nan 8.270 nan 0.000 0.426 711 F N -0.940 119.092 119.950 0.137 0.000 2.365 711 F HA -0.198 4.341 4.527 0.019 0.000 0.300 711 F C 2.139 178.000 175.800 0.101 0.000 1.090 711 F CA 0.620 58.680 58.000 0.100 0.000 1.408 711 F CB -0.073 38.970 39.000 0.072 0.000 1.060 711 F HN 0.153 nan 8.300 nan 0.000 0.534 712 Y N 0.933 121.328 120.300 0.159 0.000 2.163 712 Y HA -0.213 4.353 4.550 0.027 0.000 0.288 712 Y C 2.431 178.354 175.900 0.039 0.000 1.136 712 Y CA 1.983 60.135 58.100 0.086 0.000 1.147 712 Y CB -0.964 37.525 38.460 0.048 0.000 0.987 712 Y HN -0.115 nan 8.280 nan 0.000 0.509 713 T N 1.507 116.028 114.554 -0.055 0.000 2.759 713 T HA -0.208 4.158 4.350 0.028 0.000 0.269 713 T C 1.968 176.509 174.700 -0.266 0.000 1.042 713 T CA 2.100 64.026 62.100 -0.291 0.000 1.140 713 T CB -0.449 68.095 68.868 -0.541 0.000 0.864 713 T HN 0.384 nan 8.240 nan 0.000 0.455 714 I N 0.416 120.932 120.570 -0.089 0.000 2.252 714 I HA -0.142 4.044 4.170 0.028 0.000 0.245 714 I C 2.571 178.678 176.117 -0.017 0.000 1.102 714 I CA 1.224 62.517 61.300 -0.011 0.000 1.385 714 I CB -0.255 37.830 38.000 0.142 0.000 1.064 714 I HN 0.175 nan 8.210 nan 0.000 0.414 715 K N 0.444 120.833 120.400 -0.018 0.000 2.057 715 K HA -0.180 4.157 4.320 0.028 0.000 0.207 715 K C 2.044 178.603 176.600 -0.069 0.000 1.049 715 K CA 1.160 57.438 56.287 -0.016 0.000 0.931 715 K CB -0.079 32.414 32.500 -0.011 0.000 0.714 715 K HN 0.245 nan 8.250 nan 0.000 0.440 716 E N -0.031 120.034 120.200 -0.224 0.000 2.106 716 E HA -0.109 4.257 4.350 0.028 0.000 0.192 716 E C 2.168 178.742 176.600 -0.043 0.000 0.984 716 E CA 1.103 57.395 56.400 -0.180 0.000 0.806 716 E CB -0.345 29.144 29.700 -0.352 0.000 0.750 716 E HN 0.444 nan 8.360 nan 0.000 0.458 717 G N 0.960 109.710 108.800 -0.083 0.000 2.422 717 G HA2 -0.233 3.744 3.960 0.028 0.000 0.218 717 G HA3 -0.233 3.744 3.960 0.028 0.000 0.218 717 G C 1.528 176.428 174.900 0.001 0.000 1.146 717 G CA 0.710 45.785 45.100 -0.041 0.000 0.769 717 G HN 0.119 nan 8.290 nan 0.000 0.547 718 M N -0.679 118.928 119.600 0.012 0.000 2.254 718 M HA 0.080 4.577 4.480 0.028 0.000 0.265 718 M C 2.246 178.598 176.300 0.086 0.000 1.066 718 M CA 0.461 55.781 55.300 0.034 0.000 1.123 718 M CB -1.066 31.566 32.600 0.053 0.000 1.388 718 M HN 0.403 nan 8.290 nan 0.000 0.425 719 Y N 1.488 121.781 120.300 -0.011 0.000 2.181 719 Y HA -0.196 4.370 4.550 0.026 0.000 0.288 719 Y C 2.221 178.091 175.900 -0.050 0.000 1.146 719 Y CA 1.820 59.918 58.100 -0.004 0.000 1.164 719 Y CB -0.160 38.286 38.460 -0.024 0.000 0.982 719 Y HN 0.146 nan 8.280 nan 0.000 0.515 720 K N -0.147 120.184 120.400 -0.115 0.000 2.057 720 K HA -0.136 4.200 4.320 0.028 0.000 0.207 720 K C 2.357 178.720 176.600 -0.395 0.000 1.049 720 K CA 1.058 57.117 56.287 -0.381 0.000 0.931 720 K CB -0.395 31.954 32.500 -0.252 0.000 0.714 720 K HN 0.393 nan 8.250 nan 0.000 0.440 721 A N 1.631 124.429 122.820 -0.037 0.000 1.858 721 A HA -0.158 4.179 4.320 0.028 0.000 0.216 721 A C 2.167 179.891 177.584 0.234 0.000 1.190 721 A CA 1.348 53.519 52.037 0.224 0.000 0.617 721 A CB -0.752 18.355 19.000 0.180 0.000 0.827 721 A HN 0.157 nan 8.150 nan 0.000 0.443 722 L N -0.219 121.090 121.223 0.143 0.000 2.046 722 L HA -0.213 4.144 4.340 0.028 0.000 0.208 722 L C 2.433 179.359 176.870 0.095 0.000 1.077 722 L CA 1.272 56.204 54.840 0.154 0.000 0.747 722 L CB -0.603 41.550 42.059 0.156 0.000 0.896 722 L HN 0.435 nan 8.230 nan 0.000 0.432 723 N N -0.619 118.006 118.700 -0.125 0.000 2.142 723 N HA -0.196 4.561 4.740 0.028 0.000 0.186 723 N C 1.923 177.452 175.510 0.032 0.000 1.023 723 N CA 1.426 54.386 53.050 -0.151 0.000 0.852 723 N CB -0.222 38.013 38.487 -0.421 0.000 0.998 723 N HN 0.433 nan 8.380 nan 0.000 0.424 724 Y N 1.448 121.775 120.300 0.045 0.000 2.224 724 Y HA -0.160 4.405 4.550 0.026 0.000 0.289 724 Y C 2.608 178.569 175.900 0.101 0.000 1.146 724 Y CA 0.485 58.635 58.100 0.083 0.000 1.182 724 Y CB 0.160 38.678 38.460 0.097 0.000 0.983 724 Y HN 0.060 nan 8.280 nan 0.000 0.524 725 Q N -0.018 119.919 119.800 0.228 0.000 2.046 725 Q HA -0.159 4.197 4.340 0.028 0.000 0.200 725 Q C 2.576 178.741 176.000 0.275 0.000 0.975 725 Q CA 1.361 57.256 55.803 0.153 0.000 0.836 725 Q CB -0.701 27.965 28.738 -0.119 0.000 0.896 725 Q HN 0.519 nan 8.270 nan 0.000 0.428 726 A N 0.930 123.877 122.820 0.211 0.000 1.902 726 A HA -0.231 4.106 4.320 0.028 0.000 0.217 726 A C 2.121 179.714 177.584 0.016 0.000 1.181 726 A CA 1.596 53.565 52.037 -0.113 0.000 0.623 726 A CB -0.544 18.345 19.000 -0.186 0.000 0.818 726 A HN 0.395 nan 8.150 nan 0.000 0.443 727 Q N -0.626 119.265 119.800 0.153 0.000 2.096 727 Q HA -0.121 4.235 4.340 0.028 0.000 0.204 727 Q C 2.404 178.576 176.000 0.288 0.000 0.982 727 Q CA 1.503 57.457 55.803 0.252 0.000 0.850 727 Q CB -0.405 28.521 28.738 0.313 0.000 0.901 727 Q HN 0.698 nan 8.270 nan 0.000 0.422 728 A N 0.688 123.673 122.820 0.275 0.000 1.902 728 A HA -0.173 4.164 4.320 0.028 0.000 0.217 728 A C 2.016 179.658 177.584 0.097 0.000 1.181 728 A CA 1.217 53.367 52.037 0.188 0.000 0.623 728 A CB -0.611 18.480 19.000 0.150 0.000 0.818 728 A HN 0.366 nan 8.150 nan 0.000 0.443 729 L N 0.215 121.507 121.223 0.115 0.000 2.093 729 L HA -0.118 4.238 4.340 0.028 0.000 0.208 729 L C 2.059 178.972 176.870 0.071 0.000 1.085 729 L CA 2.364 57.255 54.840 0.085 0.000 0.755 729 L CB -0.766 41.334 42.059 0.068 0.000 0.904 729 L HN 0.527 nan 8.230 nan 0.000 0.435 730 E N -0.660 119.575 120.200 0.059 0.000 2.077 730 E HA -0.276 4.090 4.350 0.028 0.000 0.193 730 E C 2.024 178.731 176.600 0.179 0.000 0.989 730 E CA 1.243 57.697 56.400 0.090 0.000 0.800 730 E CB -0.061 29.667 29.700 0.047 0.000 0.746 730 E HN 0.526 nan 8.360 nan 0.000 0.452 731 E N 1.103 121.404 120.200 0.168 0.000 2.051 731 E HA -0.169 4.197 4.350 0.028 0.000 0.192 731 E C 1.847 178.526 176.600 0.131 0.000 0.991 731 E CA 1.061 57.542 56.400 0.136 0.000 0.799 731 E CB -0.141 29.542 29.700 -0.027 0.000 0.748 731 E HN 0.223 nan 8.360 nan 0.000 0.449 732 I N 0.188 120.822 120.570 0.106 0.000 2.179 732 I HA -0.272 3.914 4.170 0.028 0.000 0.242 732 I C 2.314 178.639 176.117 0.347 0.000 1.088 732 I CA 1.091 62.497 61.300 0.177 0.000 1.357 732 I CB -0.289 37.809 38.000 0.164 0.000 1.051 732 I HN 0.180 nan 8.210 nan 0.000 0.409 733 I N 0.685 121.487 120.570 0.387 0.000 2.163 733 I HA -0.341 3.846 4.170 0.028 0.000 0.243 733 I C 2.543 179.014 176.117 0.590 0.000 1.085 733 I CA 1.629 63.247 61.300 0.531 0.000 1.347 733 I CB -0.421 37.764 38.000 0.307 0.000 1.044 733 I HN 0.193 nan 8.210 nan 0.000 0.408 734 K N -0.153 120.542 120.400 0.491 0.000 2.032 734 K HA -0.257 4.079 4.320 0.028 0.000 0.209 734 K C 2.232 179.029 176.600 0.328 0.000 1.048 734 K CA 1.901 58.455 56.287 0.445 0.000 0.927 734 K CB -0.504 32.153 32.500 0.262 0.000 0.712 734 K HN 0.217 nan 8.250 nan 0.000 0.441 735 Y N 2.075 122.463 120.300 0.146 0.000 2.097 735 Y HA -0.266 4.301 4.550 0.028 0.000 0.282 735 Y C 2.242 178.110 175.900 -0.054 0.000 1.152 735 Y CA 1.561 59.677 58.100 0.026 0.000 1.136 735 Y CB 0.026 38.475 38.460 -0.017 0.000 0.975 735 Y HN -0.056 nan 8.280 nan 0.000 0.498 736 R N -0.779 119.730 120.500 0.015 0.000 2.091 736 R HA -0.233 4.123 4.340 0.028 0.000 0.238 736 R C 2.153 178.047 176.300 -0.676 0.000 1.136 736 R CA 1.802 57.733 56.100 -0.282 0.000 0.959 736 R CB -1.705 28.609 30.300 0.025 0.000 0.856 736 R HN 0.529 nan 8.270 nan 0.000 0.437 737 Y N 2.257 122.318 120.300 -0.399 0.000 2.200 737 Y HA -0.100 4.467 4.550 0.028 0.000 0.290 737 Y C 1.582 177.306 175.900 -0.294 0.000 1.137 737 Y CA 1.316 59.199 58.100 -0.362 0.000 1.163 737 Y CB -0.347 38.274 38.460 0.269 0.000 0.988 737 Y HN 0.016 nan 8.280 nan 0.000 0.518 738 N N 0.262 118.778 118.700 -0.307 0.000 2.571 738 N HA -0.079 4.677 4.740 0.028 0.000 0.189 738 N C 1.526 176.748 175.510 -0.481 0.000 1.154 738 N CA 0.577 53.399 53.050 -0.380 0.000 0.907 738 N CB -0.044 38.318 38.487 -0.208 0.000 0.977 738 N HN 0.381 nan 8.380 nan 0.000 0.449 739 I N 0.229 120.384 120.570 -0.692 0.000 2.761 739 I HA -0.084 4.103 4.170 0.028 0.000 0.261 739 I C 0.505 176.327 176.117 -0.491 0.000 1.198 739 I CA 0.350 61.260 61.300 -0.649 0.000 1.482 739 I CB -0.663 36.867 38.000 -0.783 0.000 1.100 739 I HN 0.026 nan 8.210 nan 0.000 0.445 740 Y N 1.302 121.378 120.300 -0.373 0.000 2.314 740 Y HA 0.096 4.662 4.550 0.028 0.000 0.334 740 Y C 1.562 177.296 175.900 -0.275 0.000 1.266 740 Y CA -0.770 57.139 58.100 -0.318 0.000 1.391 740 Y CB 0.539 38.777 38.460 -0.369 0.000 1.306 740 Y HN 0.010 nan 8.280 nan 0.000 0.558 741 S N 0.250 115.940 115.700 -0.017 0.000 2.645 741 S HA 0.088 4.575 4.470 0.028 0.000 0.266 741 S C 0.817 175.368 174.600 -0.081 0.000 1.258 741 S CA -0.837 57.325 58.200 -0.064 0.000 0.990 741 S CB 1.179 64.351 63.200 -0.047 0.000 0.967 741 S HN 0.695 nan 8.310 nan 0.000 0.556 742 E N 0.788 120.944 120.200 -0.074 0.000 2.118 742 E HA -0.148 4.218 4.350 0.028 0.000 0.195 742 E C 1.777 178.351 176.600 -0.043 0.000 0.992 742 E CA 0.894 57.257 56.400 -0.062 0.000 0.804 742 E CB -0.250 29.425 29.700 -0.042 0.000 0.741 742 E HN 0.581 nan 8.360 nan 0.000 0.458 743 K N 1.341 121.717 120.400 -0.040 0.000 2.032 743 K HA -0.167 4.170 4.320 0.028 0.000 0.209 743 K C 1.866 178.441 176.600 -0.041 0.000 1.048 743 K CA 1.340 57.608 56.287 -0.033 0.000 0.927 743 K CB -0.092 32.389 32.500 -0.032 0.000 0.712 743 K HN 0.203 nan 8.250 nan 0.000 0.441 744 E N 0.218 120.378 120.200 -0.066 0.000 2.072 744 E HA -0.138 4.228 4.350 0.028 0.000 0.191 744 E C 2.120 178.667 176.600 -0.087 0.000 0.985 744 E CA 1.008 57.343 56.400 -0.108 0.000 0.801 744 E CB 0.008 29.602 29.700 -0.178 0.000 0.750 744 E HN 0.275 nan 8.360 nan 0.000 0.452 745 K N 0.586 120.944 120.400 -0.070 0.000 2.103 745 K HA -0.087 4.249 4.320 0.028 0.000 0.207 745 K C 2.314 178.983 176.600 0.115 0.000 1.048 745 K CA 1.191 57.484 56.287 0.010 0.000 0.930 745 K CB -0.064 32.352 32.500 -0.140 0.000 0.716 745 K HN -0.054 nan 8.250 nan 0.000 0.444 746 S N 1.298 117.029 115.700 0.052 0.000 2.419 746 S HA -0.067 4.419 4.470 0.028 0.000 0.233 746 S C 1.248 175.882 174.600 0.056 0.000 1.016 746 S CA 0.983 59.219 58.200 0.060 0.000 0.974 746 S CB -0.105 63.112 63.200 0.029 0.000 0.786 746 S HN 0.309 nan 8.310 nan 0.000 0.492 747 N N 0.562 119.283 118.700 0.035 0.000 2.270 747 N HA 0.269 5.026 4.740 0.028 0.000 0.198 747 N C -0.362 175.173 175.510 0.041 0.000 1.117 747 N CA 0.139 53.203 53.050 0.023 0.000 0.845 747 N CB 0.410 38.892 38.487 -0.007 0.000 0.980 747 N HN 0.378 nan 8.380 nan 0.000 0.486 748 I N 1.513 122.140 120.570 0.095 0.000 2.304 748 I HA 0.077 4.264 4.170 0.028 0.000 0.291 748 I C 0.216 176.414 176.117 0.135 0.000 1.018 748 I CA -0.621 60.768 61.300 0.148 0.000 1.260 748 I CB 0.844 39.024 38.000 0.301 0.000 1.390 748 I HN -0.177 nan 8.210 nan 0.000 0.475 749 N N 8.385 127.129 118.700 0.074 0.000 2.555 749 N HA 0.279 5.036 4.740 0.028 0.000 0.244 749 N C -1.130 174.364 175.510 -0.026 0.000 1.114 749 N CA -0.003 53.063 53.050 0.026 0.000 0.963 749 N CB 0.213 38.704 38.487 0.007 0.000 1.276 749 N HN 0.310 nan 8.380 nan 0.000 0.510 750 I N 1.301 121.836 120.570 -0.059 0.000 2.647 750 I HA 0.289 4.475 4.170 0.028 0.000 0.295 750 I C -0.643 175.358 176.117 -0.194 0.000 1.078 750 I CA -0.671 60.502 61.300 -0.212 0.000 1.048 750 I CB 2.036 39.800 38.000 -0.393 0.000 1.239 750 I HN 0.382 nan 8.210 nan 0.000 0.421 751 D N 5.197 125.451 120.400 -0.243 0.000 2.420 751 D HA 0.257 4.914 4.640 0.028 0.000 0.255 751 D C 0.661 176.848 176.300 -0.188 0.000 1.185 751 D CA -0.409 53.512 54.000 -0.132 0.000 0.904 751 D CB 0.678 41.426 40.800 -0.087 0.000 1.102 751 D HN 0.246 nan 8.370 nan 0.000 0.534 752 F N 1.657 121.539 119.950 -0.112 0.000 2.250 752 F HA -0.151 4.392 4.527 0.027 0.000 0.301 752 F C 2.113 177.830 175.800 -0.138 0.000 1.077 752 F CA 0.864 58.785 58.000 -0.132 0.000 1.348 752 F CB 0.072 39.009 39.000 -0.105 0.000 1.040 752 F HN 0.331 nan 8.300 nan 0.000 0.509 753 N N -0.368 118.369 118.700 0.062 0.000 2.376 753 N HA -0.137 4.620 4.740 0.028 0.000 0.177 753 N C 1.496 176.984 175.510 -0.037 0.000 1.024 753 N CA 1.089 54.148 53.050 0.015 0.000 0.893 753 N CB -0.367 38.145 38.487 0.042 0.000 0.980 753 N HN 0.269 nan 8.380 nan 0.000 0.439 754 D N 1.183 121.546 120.400 -0.062 0.000 2.149 754 D HA 0.055 4.711 4.640 0.028 0.000 0.201 754 D C 2.034 178.261 176.300 -0.121 0.000 0.972 754 D CA 0.340 54.291 54.000 -0.081 0.000 0.835 754 D CB 0.078 40.827 40.800 -0.087 0.000 0.966 754 D HN 0.136 nan 8.370 nan 0.000 0.476 755 I N 0.506 120.972 120.570 -0.174 0.000 2.099 755 I HA -0.304 3.883 4.170 0.028 0.000 0.239 755 I C 1.937 177.931 176.117 -0.204 0.000 1.066 755 I CA 1.053 62.219 61.300 -0.223 0.000 1.324 755 I CB -0.422 37.397 38.000 -0.302 0.000 1.037 755 I HN -0.001 nan 8.210 nan 0.000 0.401 756 N N 0.366 118.944 118.700 -0.204 0.000 2.205 756 N HA -0.190 4.566 4.740 0.028 0.000 0.186 756 N C 1.938 177.372 175.510 -0.127 0.000 1.015 756 N CA 1.568 54.482 53.050 -0.226 0.000 0.862 756 N CB -0.488 37.806 38.487 -0.321 0.000 0.986 756 N HN 0.284 nan 8.380 nan 0.000 0.429 757 S N 0.462 116.110 115.700 -0.086 0.000 2.355 757 S HA -0.079 4.407 4.470 0.028 0.000 0.222 757 S C 1.823 176.396 174.600 -0.044 0.000 1.031 757 S CA 1.150 59.326 58.200 -0.040 0.000 0.993 757 S CB -0.036 63.146 63.200 -0.029 0.000 0.859 757 S HN 0.066 nan 8.310 nan 0.000 0.453 758 K N 0.991 121.346 120.400 -0.074 0.000 2.032 758 K HA 0.031 4.367 4.320 0.028 0.000 0.209 758 K C 2.029 178.596 176.600 -0.055 0.000 1.048 758 K CA 1.598 57.846 56.287 -0.065 0.000 0.927 758 K CB -0.486 31.955 32.500 -0.098 0.000 0.712 758 K HN 0.390 nan 8.250 nan 0.000 0.441 759 L N 0.242 121.385 121.223 -0.134 0.000 2.017 759 L HA -0.219 4.138 4.340 0.028 0.000 0.208 759 L C 1.910 178.760 176.870 -0.033 0.000 1.073 759 L CA 1.678 56.396 54.840 -0.204 0.000 0.745 759 L CB -0.640 41.156 42.059 -0.438 0.000 0.894 759 L HN 0.347 nan 8.230 nan 0.000 0.432 760 N N -0.297 118.393 118.700 -0.018 0.000 2.104 760 N HA -0.250 4.507 4.740 0.028 0.000 0.190 760 N C 1.801 177.365 175.510 0.089 0.000 1.024 760 N CA 1.121 54.205 53.050 0.055 0.000 0.853 760 N CB -0.046 38.477 38.487 0.061 0.000 1.008 760 N HN 0.264 nan 8.380 nan 0.000 0.424 761 E N 1.146 121.385 120.200 0.064 0.000 2.058 761 E HA -0.127 4.240 4.350 0.028 0.000 0.194 761 E C 2.002 178.659 176.600 0.095 0.000 0.997 761 E CA 1.756 58.197 56.400 0.069 0.000 0.801 761 E CB -0.762 28.963 29.700 0.041 0.000 0.746 761 E HN 0.327 nan 8.360 nan 0.000 0.450 762 G N 0.782 109.652 108.800 0.117 0.000 2.442 762 G HA2 -0.229 3.748 3.960 0.028 0.000 0.219 762 G HA3 -0.229 3.748 3.960 0.028 0.000 0.219 762 G C 1.768 176.780 174.900 0.187 0.000 1.141 762 G CA 1.054 46.246 45.100 0.153 0.000 0.763 762 G HN 0.353 nan 8.290 nan 0.000 0.554 763 I N 0.853 121.564 120.570 0.235 0.000 2.252 763 I HA -0.158 4.028 4.170 0.028 0.000 0.245 763 I C 2.502 178.734 176.117 0.192 0.000 1.102 763 I CA 0.815 62.254 61.300 0.231 0.000 1.385 763 I CB -0.276 37.850 38.000 0.211 0.000 1.064 763 I HN 0.090 nan 8.210 nan 0.000 0.414 764 N N 0.930 119.731 118.700 0.167 0.000 2.120 764 N HA -0.207 4.549 4.740 0.028 0.000 0.188 764 N C 1.834 177.422 175.510 0.130 0.000 1.024 764 N CA 1.348 54.491 53.050 0.155 0.000 0.852 764 N CB -0.383 38.180 38.487 0.127 0.000 1.003 764 N HN 0.492 nan 8.380 nan 0.000 0.424 765 Q N 0.480 120.346 119.800 0.110 0.000 2.084 765 Q HA -0.020 4.336 4.340 0.028 0.000 0.202 765 Q C 2.135 178.193 176.000 0.097 0.000 0.978 765 Q CA 1.529 57.384 55.803 0.087 0.000 0.844 765 Q CB -0.178 28.600 28.738 0.066 0.000 0.898 765 Q HN 0.394 nan 8.270 nan 0.000 0.426 766 A N 1.329 124.224 122.820 0.124 0.000 1.858 766 A HA -0.179 4.158 4.320 0.028 0.000 0.216 766 A C 2.058 179.732 177.584 0.150 0.000 1.190 766 A CA 1.162 53.288 52.037 0.149 0.000 0.617 766 A CB -0.558 18.565 19.000 0.206 0.000 0.827 766 A HN 0.249 nan 8.150 nan 0.000 0.443 767 I N 0.834 121.507 120.570 0.171 0.000 2.248 767 I HA -0.237 3.949 4.170 0.028 0.000 0.248 767 I C 1.751 177.947 176.117 0.133 0.000 1.107 767 I CA 1.699 63.103 61.300 0.174 0.000 1.373 767 I CB -1.471 36.660 38.000 0.219 0.000 1.055 767 I HN 0.345 nan 8.210 nan 0.000 0.418 768 D N 0.767 121.236 120.400 0.115 0.000 2.117 768 D HA -0.157 4.500 4.640 0.028 0.000 0.197 768 D C 1.868 178.222 176.300 0.091 0.000 0.987 768 D CA 1.003 55.060 54.000 0.096 0.000 0.829 768 D CB -0.311 40.538 40.800 0.082 0.000 0.961 768 D HN 0.357 nan 8.370 nan 0.000 0.460 769 N N 0.748 119.497 118.700 0.082 0.000 2.142 769 N HA -0.051 4.706 4.740 0.028 0.000 0.186 769 N C 2.170 177.737 175.510 0.094 0.000 1.023 769 N CA 0.385 53.475 53.050 0.066 0.000 0.852 769 N CB -0.186 38.316 38.487 0.025 0.000 0.998 769 N HN 0.273 nan 8.380 nan 0.000 0.424 770 I N 1.098 121.726 120.570 0.096 0.000 2.286 770 I HA -0.234 3.953 4.170 0.028 0.000 0.248 770 I C 1.664 177.880 176.117 0.165 0.000 1.115 770 I CA 0.897 62.276 61.300 0.132 0.000 1.392 770 I CB -0.234 37.833 38.000 0.112 0.000 1.065 770 I HN 0.079 nan 8.210 nan 0.000 0.418 771 N N 0.935 119.712 118.700 0.128 0.000 2.084 771 N HA -0.164 4.593 4.740 0.028 0.000 0.190 771 N C 1.616 177.188 175.510 0.103 0.000 1.030 771 N CA 1.269 54.385 53.050 0.111 0.000 0.849 771 N CB -0.133 38.415 38.487 0.102 0.000 1.012 771 N HN 0.265 nan 8.380 nan 0.000 0.423 772 N N -0.046 118.721 118.700 0.112 0.000 2.120 772 N HA -0.155 4.602 4.740 0.028 0.000 0.188 772 N C 1.568 177.144 175.510 0.109 0.000 1.024 772 N CA 0.668 53.781 53.050 0.104 0.000 0.852 772 N CB -0.495 38.053 38.487 0.101 0.000 1.003 772 N HN 0.224 nan 8.380 nan 0.000 0.424 773 F N 2.434 122.378 119.950 -0.011 0.000 2.069 773 F HA -0.128 4.409 4.527 0.016 0.000 0.298 773 F C 2.133 177.900 175.800 -0.055 0.000 1.113 773 F CA 1.136 59.109 58.000 -0.044 0.000 1.214 773 F CB -0.320 38.626 39.000 -0.091 0.000 0.978 773 F HN -0.131 nan 8.300 nan 0.000 0.474 774 I N 0.829 121.287 120.570 -0.186 0.000 2.226 774 I HA -0.294 3.893 4.170 0.028 0.000 0.245 774 I C 2.046 177.946 176.117 -0.361 0.000 1.100 774 I CA 1.229 62.322 61.300 -0.345 0.000 1.374 774 I CB -1.674 36.305 38.000 -0.035 0.000 1.057 774 I HN 0.237 nan 8.210 nan 0.000 0.413 775 N N 1.345 119.972 118.700 -0.122 0.000 2.166 775 N HA -0.126 4.631 4.740 0.028 0.000 0.186 775 N C 1.998 177.482 175.510 -0.042 0.000 1.019 775 N CA 1.572 54.604 53.050 -0.030 0.000 0.856 775 N CB -0.672 37.858 38.487 0.072 0.000 0.993 775 N HN 0.427 nan 8.380 nan 0.000 0.426 776 G N 0.314 109.075 108.800 -0.064 0.000 2.422 776 G HA2 -0.227 3.750 3.960 0.028 0.000 0.218 776 G HA3 -0.227 3.750 3.960 0.028 0.000 0.218 776 G C 1.904 176.767 174.900 -0.062 0.000 1.146 776 G CA 0.863 45.977 45.100 0.024 0.000 0.769 776 G HN 0.349 nan 8.290 nan 0.000 0.547 777 C N 0.015 119.109 119.300 -0.343 0.000 2.432 777 C HA 0.003 4.479 4.460 0.028 0.000 0.277 777 C C 3.341 178.107 174.990 -0.374 0.000 1.249 777 C CA 1.310 60.084 59.018 -0.405 0.000 1.725 777 C CB -0.752 26.524 27.740 -0.774 0.000 2.028 777 C HN 0.478 nan 8.230 nan 0.000 0.477 778 S N 0.362 115.738 115.700 -0.540 0.000 2.356 778 S HA -0.141 4.346 4.470 0.028 0.000 0.223 778 S C 1.822 176.605 174.600 0.304 0.000 1.032 778 S CA 1.990 60.196 58.200 0.009 0.000 1.005 778 S CB -0.202 63.104 63.200 0.177 0.000 0.867 778 S HN 0.405 nan 8.310 nan 0.000 0.449 779 V N 1.216 121.181 119.914 0.086 0.000 2.427 779 V HA -0.089 4.048 4.120 0.028 0.000 0.248 779 V C 2.691 178.508 176.094 -0.462 0.000 1.051 779 V CA 1.916 64.074 62.300 -0.237 0.000 1.048 779 V CB -1.067 30.574 31.823 -0.302 0.000 0.666 779 V HN 0.627 nan 8.190 nan 0.000 0.456 780 S N -0.838 114.731 115.700 -0.218 0.000 2.359 780 S HA -0.288 4.198 4.470 0.028 0.000 0.224 780 S C 2.020 176.561 174.600 -0.097 0.000 1.035 780 S CA 2.019 60.175 58.200 -0.074 0.000 1.018 780 S CB -0.477 62.783 63.200 0.099 0.000 0.876 780 S HN 0.658 nan 8.310 nan 0.000 0.448 781 Y N 1.318 121.573 120.300 -0.075 0.000 2.181 781 Y HA -0.067 4.493 4.550 0.016 0.000 0.288 781 Y C 2.103 177.913 175.900 -0.149 0.000 1.146 781 Y CA 1.738 59.825 58.100 -0.022 0.000 1.164 781 Y CB -0.447 38.133 38.460 0.200 0.000 0.982 781 Y HN 0.376 nan 8.280 nan 0.000 0.515 782 L N -0.342 120.766 121.223 -0.192 0.000 1.994 782 L HA -0.256 4.101 4.340 0.028 0.000 0.208 782 L C 2.032 178.618 176.870 -0.474 0.000 1.071 782 L CA 2.010 56.517 54.840 -0.554 0.000 0.745 782 L CB -0.720 40.575 42.059 -1.273 0.000 0.892 782 L HN 0.186 nan 8.230 nan 0.000 0.431 783 M N -0.698 118.653 119.600 -0.415 0.000 2.229 783 M HA -0.129 4.367 4.480 0.028 0.000 0.264 783 M C 2.110 178.319 176.300 -0.152 0.000 1.063 783 M CA 1.615 56.766 55.300 -0.248 0.000 1.114 783 M CB -0.976 31.527 32.600 -0.162 0.000 1.387 783 M HN 0.329 nan 8.290 nan 0.000 0.420 784 K N -0.758 119.477 120.400 -0.275 0.000 2.313 784 K HA 0.071 4.407 4.320 0.028 0.000 0.197 784 K C 1.638 178.035 176.600 -0.338 0.000 1.061 784 K CA 0.228 56.294 56.287 -0.367 0.000 0.980 784 K CB 0.581 32.709 32.500 -0.620 0.000 0.888 784 K HN 0.041 nan 8.250 nan 0.000 0.502 785 K N -0.059 120.050 120.400 -0.485 0.000 2.353 785 K HA 0.266 4.603 4.320 0.028 0.000 0.195 785 K C 1.416 177.750 176.600 -0.443 0.000 1.031 785 K CA 0.503 56.431 56.287 -0.598 0.000 1.079 785 K CB 0.678 32.410 32.500 -1.280 0.000 0.857 785 K HN 0.145 nan 8.250 nan 0.000 0.535 786 M N -0.701 118.691 119.600 -0.346 0.000 2.902 786 M HA 0.151 4.647 4.480 0.028 0.000 0.225 786 M C 1.549 177.719 176.300 -0.217 0.000 1.711 786 M CA 0.107 55.265 55.300 -0.236 0.000 1.213 786 M CB 0.130 32.614 32.600 -0.193 0.000 1.265 786 M HN -0.175 nan 8.290 nan 0.000 0.577 787 I N 1.417 121.819 120.570 -0.279 0.000 2.151 787 I HA -0.178 4.009 4.170 0.028 0.000 0.243 787 I C -0.594 175.469 176.117 -0.090 0.000 1.080 787 I CA 2.068 63.217 61.300 -0.251 0.000 1.339 787 I CB -2.314 35.466 38.000 -0.365 0.000 1.039 787 I HN 0.117 nan 8.210 nan 0.000 0.409 788 P HA -0.127 nan 4.420 nan 0.000 0.216 788 P C 2.158 179.441 177.300 -0.029 0.000 1.150 788 P CA 1.234 64.338 63.100 0.006 0.000 0.837 788 P CB -0.024 31.710 31.700 0.057 0.000 0.786 789 L N -1.720 119.462 121.223 -0.067 0.000 2.291 789 L HA -0.074 4.282 4.340 0.028 0.000 0.214 789 L C 2.319 179.132 176.870 -0.094 0.000 1.120 789 L CA 1.185 55.980 54.840 -0.075 0.000 0.799 789 L CB -0.918 41.089 42.059 -0.087 0.000 0.925 789 L HN -0.019 nan 8.230 nan 0.000 0.446 790 A N -0.310 122.446 122.820 -0.106 0.000 1.903 790 A HA -0.058 4.279 4.320 0.028 0.000 0.213 790 A C 2.300 179.761 177.584 -0.206 0.000 1.185 790 A CA 0.838 52.785 52.037 -0.150 0.000 0.628 790 A CB -0.568 18.362 19.000 -0.116 0.000 0.830 790 A HN 0.119 nan 8.150 nan 0.000 0.446 791 V N 0.534 120.380 119.914 -0.112 0.000 2.392 791 V HA -0.309 3.828 4.120 0.028 0.000 0.249 791 V C 2.524 178.544 176.094 -0.123 0.000 1.059 791 V CA 2.432 64.661 62.300 -0.118 0.000 1.051 791 V CB -0.703 31.172 31.823 0.086 0.000 0.658 791 V HN 0.806 nan 8.190 nan 0.000 0.455 792 E N 0.023 120.177 120.200 -0.076 0.000 2.058 792 E HA -0.257 4.110 4.350 0.028 0.000 0.194 792 E C 2.275 178.828 176.600 -0.080 0.000 0.997 792 E CA 1.293 57.663 56.400 -0.051 0.000 0.801 792 E CB -0.008 29.669 29.700 -0.038 0.000 0.746 792 E HN 0.419 nan 8.360 nan 0.000 0.450 793 K N 0.379 120.703 120.400 -0.126 0.000 2.057 793 K HA -0.094 4.243 4.320 0.028 0.000 0.206 793 K C 2.327 178.826 176.600 -0.168 0.000 1.050 793 K CA 0.813 57.022 56.287 -0.129 0.000 0.935 793 K CB -0.338 32.071 32.500 -0.153 0.000 0.715 793 K HN 0.305 nan 8.250 nan 0.000 0.439 794 L N 0.692 121.698 121.223 -0.361 0.000 2.093 794 L HA -0.136 4.221 4.340 0.028 0.000 0.208 794 L C 2.459 179.237 176.870 -0.153 0.000 1.085 794 L CA 0.843 55.336 54.840 -0.578 0.000 0.755 794 L CB -0.464 40.614 42.059 -1.636 0.000 0.904 794 L HN 0.081 nan 8.230 nan 0.000 0.435 795 L N -0.355 120.835 121.223 -0.055 0.000 2.056 795 L HA -0.221 4.136 4.340 0.028 0.000 0.207 795 L C 2.334 179.251 176.870 0.078 0.000 1.078 795 L CA 1.233 56.156 54.840 0.138 0.000 0.749 795 L CB -0.527 41.604 42.059 0.121 0.000 0.901 795 L HN 0.292 nan 8.230 nan 0.000 0.433 796 D N 0.100 120.519 120.400 0.031 0.000 2.123 796 D HA -0.284 4.372 4.640 0.028 0.000 0.196 796 D C 2.017 178.335 176.300 0.030 0.000 0.992 796 D CA 1.285 55.297 54.000 0.020 0.000 0.833 796 D CB -0.085 40.720 40.800 0.009 0.000 0.954 796 D HN 0.235 nan 8.370 nan 0.000 0.455 797 F N 1.239 121.135 119.950 -0.090 0.000 2.102 797 F HA -0.140 4.403 4.527 0.027 0.000 0.298 797 F C 1.825 177.578 175.800 -0.079 0.000 1.105 797 F CA 1.692 59.627 58.000 -0.109 0.000 1.239 797 F CB -0.510 38.393 39.000 -0.163 0.000 0.991 797 F HN -0.140 nan 8.300 nan 0.000 0.474 798 D N 0.192 120.495 120.400 -0.161 0.000 2.104 798 D HA -0.250 4.407 4.640 0.028 0.000 0.194 798 D C 2.155 178.309 176.300 -0.244 0.000 0.994 798 D CA 1.484 55.353 54.000 -0.218 0.000 0.830 798 D CB -0.836 40.030 40.800 0.110 0.000 0.959 798 D HN 0.485 nan 8.370 nan 0.000 0.452 799 N N -0.100 118.522 118.700 -0.131 0.000 2.025 799 N HA -0.147 4.609 4.740 0.028 0.000 0.194 799 N C 1.511 176.930 175.510 -0.151 0.000 1.044 799 N CA 1.794 54.781 53.050 -0.106 0.000 0.851 799 N CB 0.050 38.505 38.487 -0.053 0.000 1.036 799 N HN 0.034 nan 8.380 nan 0.000 0.422 800 T N 1.627 116.078 114.554 -0.171 0.000 2.737 800 T HA -0.163 4.203 4.350 0.028 0.000 0.269 800 T C 1.829 176.385 174.700 -0.241 0.000 1.040 800 T CA 0.929 62.930 62.100 -0.164 0.000 1.142 800 T CB -0.257 68.537 68.868 -0.125 0.000 0.861 800 T HN 0.190 nan 8.240 nan 0.000 0.456 801 L N 0.933 121.889 121.223 -0.445 0.000 2.156 801 L HA 0.151 4.508 4.340 0.028 0.000 0.208 801 L C 2.277 178.982 176.870 -0.276 0.000 1.095 801 L CA 1.684 56.230 54.840 -0.490 0.000 0.770 801 L CB -0.451 41.059 42.059 -0.915 0.000 0.914 801 L HN 0.067 nan 8.230 nan 0.000 0.439 802 K N 0.308 120.572 120.400 -0.225 0.000 1.991 802 K HA -0.262 4.074 4.320 0.028 0.000 0.212 802 K C 2.156 178.708 176.600 -0.080 0.000 1.049 802 K CA 2.181 58.391 56.287 -0.129 0.000 0.932 802 K CB -0.162 32.277 32.500 -0.101 0.000 0.717 802 K HN 0.518 nan 8.250 nan 0.000 0.441 803 K N 0.289 120.645 120.400 -0.073 0.000 2.103 803 K HA -0.200 4.137 4.320 0.028 0.000 0.207 803 K C 1.995 178.584 176.600 -0.019 0.000 1.048 803 K CA 1.684 57.949 56.287 -0.037 0.000 0.930 803 K CB -0.480 31.999 32.500 -0.034 0.000 0.716 803 K HN 0.097 nan 8.250 nan 0.000 0.444 804 N N 1.662 120.338 118.700 -0.041 0.000 2.069 804 N HA -0.165 4.592 4.740 0.028 0.000 0.191 804 N C 1.792 177.323 175.510 0.034 0.000 1.031 804 N CA 1.565 54.609 53.050 -0.011 0.000 0.852 804 N CB -0.168 38.288 38.487 -0.052 0.000 1.018 804 N HN 0.322 nan 8.380 nan 0.000 0.423 805 L N 0.493 121.717 121.223 0.001 0.000 2.044 805 L HA -0.090 4.267 4.340 0.028 0.000 0.205 805 L C 2.551 179.488 176.870 0.112 0.000 1.075 805 L CA 0.642 55.511 54.840 0.049 0.000 0.747 805 L CB -0.501 41.555 42.059 -0.006 0.000 0.903 805 L HN 0.149 nan 8.230 nan 0.000 0.435 806 L N -0.054 121.201 121.223 0.053 0.000 2.012 806 L HA -0.278 4.079 4.340 0.028 0.000 0.210 806 L C 2.467 179.379 176.870 0.069 0.000 1.073 806 L CA 1.511 56.381 54.840 0.051 0.000 0.748 806 L CB -0.837 41.232 42.059 0.017 0.000 0.891 806 L HN 0.457 nan 8.230 nan 0.000 0.431 807 N N -0.392 118.349 118.700 0.069 0.000 2.364 807 N HA -0.250 4.506 4.740 0.028 0.000 0.183 807 N C 1.884 177.454 175.510 0.099 0.000 1.022 807 N CA 1.134 54.223 53.050 0.066 0.000 0.883 807 N CB 0.066 38.586 38.487 0.055 0.000 0.965 807 N HN 0.389 nan 8.380 nan 0.000 0.438 808 Y N 1.032 121.337 120.300 0.008 0.000 2.314 808 Y HA 0.173 4.740 4.550 0.028 0.000 0.294 808 Y C 2.092 178.009 175.900 0.028 0.000 1.119 808 Y CA 0.862 58.970 58.100 0.013 0.000 1.179 808 Y CB -0.073 38.394 38.460 0.012 0.000 1.025 808 Y HN -0.015 nan 8.280 nan 0.000 0.541 809 I N 0.113 120.756 120.570 0.122 0.000 3.176 809 I HA -0.146 4.041 4.170 0.028 0.000 0.275 809 I C 1.622 177.745 176.117 0.010 0.000 1.298 809 I CA 1.101 62.436 61.300 0.059 0.000 1.445 809 I CB -0.247 37.808 38.000 0.092 0.000 1.075 809 I HN 0.258 nan 8.210 nan 0.000 0.482 810 D N 1.428 121.830 120.400 0.004 0.000 2.232 810 D HA -0.135 4.521 4.640 0.028 0.000 0.220 810 D C 1.880 178.171 176.300 -0.015 0.000 0.982 810 D CA 1.243 55.245 54.000 0.002 0.000 0.892 810 D CB 0.052 40.860 40.800 0.013 0.000 1.040 810 D HN 0.233 nan 8.370 nan 0.000 0.463 811 E N -0.198 119.975 120.200 -0.045 0.000 2.401 811 E HA -0.078 4.289 4.350 0.028 0.000 0.199 811 E C 0.822 177.401 176.600 -0.035 0.000 1.023 811 E CA 0.424 56.796 56.400 -0.046 0.000 0.859 811 E CB -0.009 29.645 29.700 -0.077 0.000 0.780 811 E HN 0.300 nan 8.360 nan 0.000 0.523 812 N N 0.655 119.309 118.700 -0.078 0.000 2.200 812 N HA 0.003 4.760 4.740 0.028 0.000 0.224 812 N C 1.081 176.664 175.510 0.121 0.000 1.179 812 N CA 0.016 53.086 53.050 0.032 0.000 0.877 812 N CB 0.573 38.921 38.487 -0.231 0.000 1.072 812 N HN 0.216 nan 8.380 nan 0.000 0.519 813 K N 1.101 121.534 120.400 0.054 0.000 2.052 813 K HA -0.178 4.158 4.320 0.028 0.000 0.215 813 K C 1.756 178.364 176.600 0.013 0.000 1.053 813 K CA 1.203 57.509 56.287 0.031 0.000 0.934 813 K CB -0.584 31.921 32.500 0.009 0.000 0.717 813 K HN 0.055 nan 8.250 nan 0.000 0.450 814 L N 0.089 121.282 121.223 -0.051 0.000 1.943 814 L HA -0.190 4.167 4.340 0.028 0.000 0.215 814 L C 2.599 179.370 176.870 -0.164 0.000 1.074 814 L CA 1.604 56.328 54.840 -0.193 0.000 0.759 814 L CB -0.980 40.815 42.059 -0.441 0.000 0.888 814 L HN 0.151 nan 8.230 nan 0.000 0.433 815 Y N -0.142 120.149 120.300 -0.015 0.000 2.738 815 Y HA -0.176 4.391 4.550 0.028 0.000 0.293 815 Y C 2.072 177.977 175.900 0.008 0.000 1.156 815 Y CA 0.594 58.691 58.100 -0.004 0.000 1.410 815 Y CB -0.685 37.771 38.460 -0.007 0.000 0.966 815 Y HN 0.197 nan 8.280 nan 0.000 0.568 816 L N -1.997 119.302 121.223 0.126 0.000 2.609 816 L HA 0.167 4.523 4.340 0.028 0.000 0.230 816 L C 0.706 177.612 176.870 0.060 0.000 1.064 816 L CA -0.214 54.686 54.840 0.100 0.000 0.873 816 L CB 0.093 42.213 42.059 0.101 0.000 1.139 816 L HN 0.055 nan 8.230 nan 0.000 0.490 817 I N 0.090 120.676 120.570 0.027 0.000 4.913 817 I HA -0.313 3.873 4.170 0.028 0.000 0.039 817 I C 1.173 177.304 176.117 0.024 0.000 0.640 817 I CA 1.334 62.639 61.300 0.008 0.000 0.207 817 I CB -1.592 36.410 38.000 0.002 0.000 0.338 817 I HN 0.180 nan 8.210 nan 0.000 0.151 818 G N 0.400 109.212 108.800 0.020 0.000 3.003 818 G HA2 0.427 4.404 3.960 0.028 0.000 0.266 818 G HA3 0.427 4.404 3.960 0.028 0.000 0.266 818 G C 0.506 175.434 174.900 0.046 0.000 0.755 818 G CA 0.573 45.689 45.100 0.026 0.000 2.061 818 G HN 1.101 nan 8.290 nan 0.000 0.599 819 S N -1.189 114.557 115.700 0.075 0.000 2.364 819 S HA 0.205 4.691 4.470 0.028 0.000 0.274 819 S C 2.040 176.727 174.600 0.146 0.000 1.016 819 S CA 0.931 59.210 58.200 0.132 0.000 1.332 819 S CB -0.298 62.982 63.200 0.133 0.000 1.056 819 S HN 0.811 nan 8.310 nan 0.000 0.525 820 A N 1.421 124.300 122.820 0.097 0.000 2.204 820 A HA -0.094 4.242 4.320 0.028 0.000 0.220 820 A C 1.932 179.560 177.584 0.073 0.000 1.165 820 A CA 2.110 54.195 52.037 0.079 0.000 0.671 820 A CB -0.641 18.391 19.000 0.054 0.000 0.792 820 A HN 0.603 nan 8.150 nan 0.000 0.473 821 E N -1.833 118.421 120.200 0.091 0.000 2.132 821 E HA -0.021 4.346 4.350 0.028 0.000 0.193 821 E C 1.669 178.332 176.600 0.105 0.000 0.951 821 E CA 0.773 57.221 56.400 0.081 0.000 0.843 821 E CB -0.526 29.220 29.700 0.077 0.000 0.807 821 E HN 0.569 nan 8.360 nan 0.000 0.467 822 Y N 1.735 122.050 120.300 0.026 0.000 2.207 822 Y HA -0.115 4.452 4.550 0.028 0.000 0.287 822 Y C 1.350 177.270 175.900 0.033 0.000 1.156 822 Y CA 2.119 60.235 58.100 0.027 0.000 1.182 822 Y CB 0.085 38.562 38.460 0.027 0.000 0.979 822 Y HN 0.107 nan 8.280 nan 0.000 0.521 823 E N -0.586 119.546 120.200 -0.112 0.000 2.479 823 E HA -0.031 4.335 4.350 0.028 0.000 0.193 823 E C 1.743 178.288 176.600 -0.093 0.000 1.049 823 E CA 0.075 56.362 56.400 -0.188 0.000 0.870 823 E CB 0.194 29.883 29.700 -0.018 0.000 0.944 823 E HN 0.382 nan 8.360 nan 0.000 0.492 824 K N 0.806 121.179 120.400 -0.046 0.000 2.186 824 K HA -0.055 4.281 4.320 0.028 0.000 0.202 824 K C 2.219 178.792 176.600 -0.045 0.000 1.052 824 K CA 1.190 57.465 56.287 -0.020 0.000 0.965 824 K CB 0.250 32.754 32.500 0.007 0.000 0.746 824 K HN 0.046 nan 8.250 nan 0.000 0.457 825 S N 0.344 116.004 115.700 -0.067 0.000 2.414 825 S HA -0.084 4.403 4.470 0.028 0.000 0.227 825 S C 1.930 176.467 174.600 -0.106 0.000 1.022 825 S CA 0.686 58.847 58.200 -0.066 0.000 0.958 825 S CB -0.096 63.077 63.200 -0.044 0.000 0.797 825 S HN 0.256 nan 8.310 nan 0.000 0.493 826 K N 1.168 121.454 120.400 -0.188 0.000 2.063 826 K HA -0.065 4.272 4.320 0.028 0.000 0.208 826 K C 1.864 178.397 176.600 -0.112 0.000 1.048 826 K CA 1.651 57.814 56.287 -0.207 0.000 0.928 826 K CB -0.356 31.948 32.500 -0.326 0.000 0.713 826 K HN 0.320 nan 8.250 nan 0.000 0.442 827 V N 1.953 121.815 119.914 -0.086 0.000 2.379 827 V HA -0.215 3.921 4.120 0.028 0.000 0.245 827 V C 1.987 178.048 176.094 -0.054 0.000 1.044 827 V CA 1.692 63.959 62.300 -0.056 0.000 1.036 827 V CB -0.598 31.203 31.823 -0.037 0.000 0.664 827 V HN 0.395 nan 8.190 nan 0.000 0.453 828 N N 1.336 120.005 118.700 -0.051 0.000 2.084 828 N HA -0.185 4.571 4.740 0.028 0.000 0.190 828 N C 1.859 177.344 175.510 -0.042 0.000 1.030 828 N CA 1.886 54.911 53.050 -0.042 0.000 0.849 828 N CB -0.361 38.105 38.487 -0.033 0.000 1.012 828 N HN 0.682 nan 8.380 nan 0.000 0.423 829 K N -0.340 120.033 120.400 -0.045 0.000 2.217 829 K HA -0.108 4.228 4.320 0.028 0.000 0.202 829 K C 2.568 179.141 176.600 -0.044 0.000 1.051 829 K CA 1.393 57.657 56.287 -0.038 0.000 0.952 829 K CB -0.848 31.631 32.500 -0.035 0.000 0.736 829 K HN 0.342 nan 8.250 nan 0.000 0.453 830 Y N 2.283 122.552 120.300 -0.052 0.000 2.130 830 Y HA 0.130 4.696 4.550 0.028 0.000 0.287 830 Y C 2.204 178.062 175.900 -0.071 0.000 1.124 830 Y CA 1.052 59.118 58.100 -0.056 0.000 1.118 830 Y CB -0.826 37.605 38.460 -0.048 0.000 0.994 830 Y HN 0.002 nan 8.280 nan 0.000 0.497 831 L N 0.496 121.681 121.223 -0.064 0.000 2.700 831 L HA -0.062 4.294 4.340 0.028 0.000 0.240 831 L C 2.128 178.966 176.870 -0.053 0.000 1.162 831 L CA 1.211 56.013 54.840 -0.064 0.000 0.874 831 L CB -0.272 41.750 42.059 -0.062 0.000 1.001 831 L HN 0.386 nan 8.230 nan 0.000 0.447 832 K N 0.816 121.183 120.400 -0.055 0.000 2.020 832 K HA -0.013 4.324 4.320 0.028 0.000 0.206 832 K C 0.955 177.523 176.600 -0.053 0.000 1.038 832 K CA 0.933 57.195 56.287 -0.040 0.000 0.947 832 K CB -0.263 32.218 32.500 -0.032 0.000 0.744 832 K HN 0.188 nan 8.250 nan 0.000 0.442 833 T N 1.720 116.234 114.554 -0.067 0.000 2.752 833 T HA 0.296 4.662 4.350 0.028 0.000 0.295 833 T C 0.828 175.421 174.700 -0.179 0.000 0.923 833 T CA -0.608 61.446 62.100 -0.078 0.000 1.112 833 T CB -0.615 68.224 68.868 -0.048 0.000 0.884 833 T HN 0.294 nan 8.240 nan 0.000 0.525 834 I N 1.146 121.591 120.570 -0.209 0.000 2.834 834 I HA 0.483 4.669 4.170 0.028 0.000 0.305 834 I C 0.402 176.293 176.117 -0.377 0.000 1.008 834 I CA -1.458 59.540 61.300 -0.504 0.000 1.273 834 I CB 1.160 38.934 38.000 -0.378 0.000 1.432 834 I HN 0.629 nan 8.210 nan 0.000 0.557 835 M N 4.525 123.774 119.600 -0.585 0.000 2.146 835 M HA 0.411 4.908 4.480 0.028 0.000 0.352 835 M C -2.439 174.063 176.300 0.337 0.000 1.343 835 M CA -1.476 53.797 55.300 -0.045 0.000 1.115 835 M CB 0.520 33.163 32.600 0.072 0.000 1.657 835 M HN 0.411 nan 8.290 nan 0.000 0.471 836 P HA 0.112 nan 4.420 nan 0.000 0.275 836 P C -1.256 176.238 177.300 0.323 0.000 1.227 836 P CA -0.247 63.027 63.100 0.290 0.000 0.781 836 P CB 0.315 32.125 31.700 0.183 0.000 0.906 837 F N 3.247 123.223 119.950 0.045 0.000 2.467 837 F HA 0.276 4.821 4.527 0.029 0.000 0.362 837 F C 0.093 175.931 175.800 0.063 0.000 1.090 837 F CA -0.012 57.849 58.000 -0.232 0.000 1.202 837 F CB 0.223 38.894 39.000 -0.548 0.000 1.113 837 F HN 0.158 nan 8.300 nan 0.000 0.541 838 D N 6.623 126.566 120.400 -0.762 0.000 2.473 838 D HA 0.088 4.744 4.640 0.028 0.000 0.253 838 D C 0.581 176.298 176.300 -0.971 0.000 1.233 838 D CA -0.426 53.215 54.000 -0.597 0.000 0.908 838 D CB 1.397 42.076 40.800 -0.200 0.000 1.170 838 D HN 0.650 nan 8.370 nan 0.000 0.558 839 L N 4.153 124.501 121.223 -1.457 0.000 2.127 839 L HA -0.143 4.214 4.340 0.028 0.000 0.211 839 L C 2.082 178.733 176.870 -0.366 0.000 1.089 839 L CA 2.348 56.621 54.840 -0.945 0.000 0.757 839 L CB -0.657 40.665 42.059 -1.228 0.000 0.899 839 L HN 0.483 nan 8.230 nan 0.000 0.434 840 S N -1.215 114.304 115.700 -0.302 0.000 2.469 840 S HA -0.112 4.375 4.470 0.028 0.000 0.238 840 S C 1.866 176.343 174.600 -0.206 0.000 0.998 840 S CA 0.934 59.041 58.200 -0.154 0.000 0.957 840 S CB -0.677 62.478 63.200 -0.075 0.000 0.764 840 S HN 0.417 nan 8.310 nan 0.000 0.514 841 I N 0.234 120.584 120.570 -0.366 0.000 2.617 841 I HA 0.033 4.219 4.170 0.028 0.000 0.256 841 I C 1.258 176.997 176.117 -0.630 0.000 1.167 841 I CA 0.923 61.895 61.300 -0.547 0.000 1.469 841 I CB -1.331 36.173 38.000 -0.825 0.000 1.098 841 I HN 0.334 nan 8.210 nan 0.000 0.436 842 Y N 0.103 120.382 120.300 -0.036 0.000 2.458 842 Y HA 0.259 4.827 4.550 0.029 0.000 0.256 842 Y C 1.048 176.965 175.900 0.027 0.000 1.159 842 Y CA -0.177 57.941 58.100 0.030 0.000 1.261 842 Y CB 0.310 38.826 38.460 0.093 0.000 1.119 842 Y HN 0.006 nan 8.280 nan 0.000 0.524 843 T N 0.051 114.644 114.554 0.066 0.000 2.893 843 T HA 0.267 4.634 4.350 0.028 0.000 0.337 843 T C -1.096 173.612 174.700 0.014 0.000 1.587 843 T CA -0.765 61.372 62.100 0.062 0.000 1.066 843 T CB 0.483 69.421 68.868 0.118 0.000 1.414 843 T HN 0.269 nan 8.240 nan 0.000 0.488 844 N N 1.197 119.907 118.700 0.017 0.000 2.291 844 N HA 0.204 4.961 4.740 0.028 0.000 0.244 844 N C -0.522 175.006 175.510 0.029 0.000 1.216 844 N CA -0.643 52.411 53.050 0.007 0.000 0.879 844 N CB 0.580 39.058 38.487 -0.015 0.000 1.167 844 N HN 0.552 nan 8.380 nan 0.000 0.515 845 D N 0.674 121.105 120.400 0.053 0.000 2.358 845 D HA 0.031 4.687 4.640 0.028 0.000 0.258 845 D C 0.402 176.745 176.300 0.071 0.000 1.223 845 D CA 0.262 54.301 54.000 0.065 0.000 0.886 845 D CB 1.146 41.998 40.800 0.086 0.000 1.120 845 D HN 0.122 nan 8.370 nan 0.000 0.482 846 T N 4.786 119.377 114.554 0.061 0.000 2.665 846 T HA -0.161 4.206 4.350 0.028 0.000 0.268 846 T C 1.967 176.719 174.700 0.086 0.000 1.035 846 T CA 0.636 62.776 62.100 0.067 0.000 1.151 846 T CB 0.116 69.017 68.868 0.055 0.000 0.862 846 T HN 0.513 nan 8.240 nan 0.000 0.438 847 I N 1.060 121.683 120.570 0.088 0.000 2.163 847 I HA -0.098 4.089 4.170 0.028 0.000 0.243 847 I C 2.403 178.600 176.117 0.133 0.000 1.085 847 I CA 1.308 62.669 61.300 0.103 0.000 1.347 847 I CB -1.424 36.633 38.000 0.094 0.000 1.044 847 I HN 0.282 nan 8.210 nan 0.000 0.408 848 L N -0.010 121.297 121.223 0.140 0.000 2.027 848 L HA -0.199 4.158 4.340 0.028 0.000 0.206 848 L C 2.609 179.607 176.870 0.212 0.000 1.074 848 L CA 0.998 55.955 54.840 0.194 0.000 0.745 848 L CB -0.494 41.677 42.059 0.186 0.000 0.898 848 L HN 0.131 nan 8.230 nan 0.000 0.433 849 I N 0.243 120.909 120.570 0.161 0.000 2.208 849 I HA -0.274 3.913 4.170 0.028 0.000 0.245 849 I C 2.472 178.716 176.117 0.212 0.000 1.097 849 I CA 1.632 63.036 61.300 0.174 0.000 1.363 849 I CB -1.110 36.957 38.000 0.111 0.000 1.051 849 I HN 0.375 nan 8.210 nan 0.000 0.413 850 E N 0.218 120.516 120.200 0.162 0.000 2.110 850 E HA -0.212 4.155 4.350 0.028 0.000 0.193 850 E C 2.327 179.030 176.600 0.172 0.000 0.988 850 E CA 1.148 57.634 56.400 0.143 0.000 0.804 850 E CB -0.153 29.613 29.700 0.111 0.000 0.745 850 E HN 0.435 nan 8.360 nan 0.000 0.458 851 M N -0.067 119.656 119.600 0.205 0.000 2.080 851 M HA -0.181 4.315 4.480 0.028 0.000 0.260 851 M C 2.182 178.651 176.300 0.281 0.000 1.068 851 M CA 1.398 56.835 55.300 0.228 0.000 1.109 851 M CB -0.277 32.480 32.600 0.261 0.000 1.342 851 M HN 0.110 nan 8.290 nan 0.000 0.405 852 F N 1.623 121.649 119.950 0.126 0.000 2.075 852 F HA -0.228 4.315 4.527 0.026 0.000 0.297 852 F C 2.137 178.015 175.800 0.131 0.000 1.113 852 F CA 1.660 59.718 58.000 0.098 0.000 1.218 852 F CB -0.543 38.492 39.000 0.058 0.000 0.984 852 F HN 0.170 nan 8.300 nan 0.000 0.472 853 N N 0.650 119.425 118.700 0.125 0.000 2.166 853 N HA -0.193 4.564 4.740 0.028 0.000 0.186 853 N C 1.901 177.412 175.510 0.003 0.000 1.019 853 N CA 1.253 54.300 53.050 -0.007 0.000 0.856 853 N CB -0.531 37.993 38.487 0.061 0.000 0.993 853 N HN 0.391 nan 8.380 nan 0.000 0.426 854 K N 0.133 120.575 120.400 0.070 0.000 2.002 854 K HA -0.185 4.152 4.320 0.028 0.000 0.209 854 K C 2.108 178.742 176.600 0.056 0.000 1.048 854 K CA 0.967 57.292 56.287 0.063 0.000 0.930 854 K CB -0.316 32.241 32.500 0.094 0.000 0.714 854 K HN 0.099 nan 8.250 nan 0.000 0.438 855 Y N 2.065 122.341 120.300 -0.039 0.000 2.081 855 Y HA -0.290 4.275 4.550 0.024 0.000 0.280 855 Y C 1.724 177.560 175.900 -0.107 0.000 1.163 855 Y CA 2.170 60.235 58.100 -0.059 0.000 1.135 855 Y CB -0.253 38.176 38.460 -0.051 0.000 0.970 855 Y HN 0.240 nan 8.280 nan 0.000 0.498 856 N N -0.300 118.385 118.700 -0.026 0.000 2.520 856 N HA -0.112 4.645 4.740 0.028 0.000 0.185 856 N C 1.731 177.178 175.510 -0.104 0.000 1.068 856 N CA 1.222 54.201 53.050 -0.119 0.000 0.911 856 N CB -0.407 37.932 38.487 -0.246 0.000 0.961 856 N HN 0.528 nan 8.380 nan 0.000 0.446 857 S N -0.669 114.981 115.700 -0.084 0.000 2.548 857 S HA 0.123 4.609 4.470 0.028 0.000 0.215 857 S C 0.424 174.983 174.600 -0.069 0.000 0.976 857 S CA -0.231 57.934 58.200 -0.059 0.000 0.908 857 S CB 0.064 63.244 63.200 -0.034 0.000 0.781 857 S HN 0.124 nan 8.310 nan 0.000 0.519 858 E N 0.977 121.109 120.200 -0.114 0.000 2.044 858 E HA 0.309 4.676 4.350 0.028 0.000 0.282 858 E C 0.394 176.930 176.600 -0.106 0.000 1.031 858 E CA -0.351 55.979 56.400 -0.117 0.000 0.824 858 E CB 1.047 30.648 29.700 -0.165 0.000 1.076 858 E HN 0.210 nan 8.360 nan 0.000 0.395 859 I N 4.044 124.589 120.570 -0.043 0.000 2.315 859 I HA -0.308 3.879 4.170 0.028 0.000 0.251 859 I C 1.459 177.639 176.117 0.106 0.000 1.125 859 I CA 1.544 62.856 61.300 0.020 0.000 1.392 859 I CB 0.074 38.073 38.000 -0.001 0.000 1.065 859 I HN 0.630 nan 8.210 nan 0.000 0.424 860 L N 0.166 121.418 121.223 0.049 0.000 2.362 860 L HA -0.157 4.199 4.340 0.028 0.000 0.219 860 L C 1.648 178.475 176.870 -0.072 0.000 1.134 860 L CA 0.683 55.548 54.840 0.041 0.000 0.807 860 L CB -0.871 41.187 42.059 -0.002 0.000 0.927 860 L HN 0.314 nan 8.230 nan 0.000 0.447 861 N N -0.003 118.603 118.700 -0.157 0.000 2.461 861 N HA -0.062 4.695 4.740 0.028 0.000 0.188 861 N C 1.014 176.487 175.510 -0.061 0.000 1.134 861 N CA 0.466 53.370 53.050 -0.243 0.000 0.878 861 N CB -0.046 38.019 38.487 -0.704 0.000 0.972 861 N HN 0.388 nan 8.380 nan 0.000 0.456 862 N N 0.614 119.317 118.700 0.005 0.000 2.336 862 N HA 0.117 4.874 4.740 0.028 0.000 0.189 862 N C 0.067 175.556 175.510 -0.035 0.000 1.113 862 N CA 0.028 53.122 53.050 0.073 0.000 0.858 862 N CB 0.933 39.533 38.487 0.187 0.000 0.970 862 N HN 0.250 nan 8.380 nan 0.000 0.471 863 I N 2.324 122.771 120.570 -0.206 0.000 2.436 863 I HA 0.052 4.238 4.170 0.028 0.000 0.289 863 I C 1.543 177.582 176.117 -0.130 0.000 1.083 863 I CA 0.032 61.055 61.300 -0.462 0.000 1.372 863 I CB 0.614 38.303 38.000 -0.519 0.000 1.408 863 I HN 0.018 nan 8.210 nan 0.000 0.516 864 I N 4.647 125.116 120.570 -0.169 0.000 4.025 864 I HA 0.404 4.591 4.170 0.028 0.000 0.336 864 I C -0.458 175.649 176.117 -0.016 0.000 1.390 864 I CA 0.009 61.253 61.300 -0.093 0.000 1.099 864 I CB 0.701 38.475 38.000 -0.376 0.000 1.049 864 I HN 0.392 nan 8.210 nan 0.000 0.394 865 L N 1.606 122.816 121.223 -0.022 0.000 2.705 865 L HA 0.549 4.906 4.340 0.028 0.000 0.260 865 L C -1.991 174.915 176.870 0.059 0.000 0.921 865 L CA -0.199 54.691 54.840 0.083 0.000 0.948 865 L CB 1.906 44.086 42.059 0.201 0.000 1.427 865 L HN 0.105 nan 8.230 nan 0.000 0.432 866 N N 4.814 123.572 118.700 0.096 0.000 2.685 866 N HA 0.392 5.148 4.740 0.028 0.000 0.252 866 N C -1.656 173.949 175.510 0.158 0.000 1.261 866 N CA -0.268 52.841 53.050 0.098 0.000 0.768 866 N CB 1.021 39.510 38.487 0.002 0.000 1.304 866 N HN 0.608 nan 8.380 nan 0.000 0.536 867 L N 2.989 124.369 121.223 0.262 0.000 2.369 867 L HA 0.388 4.745 4.340 0.028 0.000 0.279 867 L C 0.554 177.580 176.870 0.261 0.000 1.108 867 L CA -0.104 54.867 54.840 0.217 0.000 0.852 867 L CB 0.227 42.409 42.059 0.204 0.000 1.169 867 L HN 0.117 nan 8.230 nan 0.000 0.452 868 R N 2.553 123.165 120.500 0.187 0.000 2.795 868 R HA 0.310 4.667 4.340 0.028 0.000 0.275 868 R C -1.062 175.358 176.300 0.199 0.000 0.981 868 R CA -1.045 55.198 56.100 0.239 0.000 0.917 868 R CB 1.892 32.308 30.300 0.193 0.000 1.202 868 R HN 0.355 nan 8.270 nan 0.000 0.469 869 Y N 1.855 122.232 120.300 0.129 0.000 2.359 869 Y HA 0.235 4.804 4.550 0.032 0.000 0.330 869 Y C -0.548 175.388 175.900 0.060 0.000 1.143 869 Y CA 0.537 58.689 58.100 0.087 0.000 1.318 869 Y CB 0.694 39.212 38.460 0.098 0.000 1.234 869 Y HN 0.146 nan 8.280 nan 0.000 0.522 870 K N 5.370 125.426 120.400 -0.574 0.000 2.587 870 K HA 0.110 4.447 4.320 0.028 0.000 0.256 870 K C -1.415 174.867 176.600 -0.529 0.000 0.974 870 K CA -0.650 55.403 56.287 -0.389 0.000 0.855 870 K CB 1.419 33.830 32.500 -0.150 0.000 1.292 870 K HN 0.887 nan 8.250 nan 0.000 0.444 871 D N 2.514 122.679 120.400 -0.391 0.000 2.803 871 D HA -0.216 4.441 4.640 0.028 0.000 0.233 871 D C -0.070 176.044 176.300 -0.310 0.000 1.182 871 D CA 0.603 54.459 54.000 -0.239 0.000 0.726 871 D CB -0.456 40.265 40.800 -0.132 0.000 0.987 871 D HN 0.735 nan 8.370 nan 0.000 0.412 872 N N 0.764 119.190 118.700 -0.455 0.000 2.705 872 N HA -0.252 4.505 4.740 0.028 0.000 0.255 872 N C -0.677 174.700 175.510 -0.221 0.000 1.008 872 N CA 1.534 54.471 53.050 -0.189 0.000 0.742 872 N CB -0.852 37.651 38.487 0.027 0.000 0.906 872 N HN 0.769 nan 8.380 nan 0.000 0.541 873 N N -0.520 117.931 118.700 -0.414 0.000 3.043 873 N HA 0.320 5.076 4.740 0.028 0.000 0.243 873 N C -1.424 173.947 175.510 -0.231 0.000 1.347 873 N CA -0.597 52.313 53.050 -0.233 0.000 0.896 873 N CB 1.052 39.422 38.487 -0.194 0.000 1.501 873 N HN 0.001 nan 8.380 nan 0.000 0.504 874 L N 3.489 124.622 121.223 -0.151 0.000 2.296 874 L HA 0.623 4.980 4.340 0.028 0.000 0.286 874 L C -0.228 176.574 176.870 -0.113 0.000 1.023 874 L CA -0.682 54.092 54.840 -0.111 0.000 0.812 874 L CB 1.124 43.080 42.059 -0.172 0.000 1.223 874 L HN 0.486 nan 8.230 nan 0.000 0.421 875 I N -1.181 119.350 120.570 -0.066 0.000 2.934 875 I HA 0.545 4.731 4.170 0.028 0.000 0.306 875 I C -1.099 175.012 176.117 -0.009 0.000 1.110 875 I CA -0.941 60.327 61.300 -0.054 0.000 1.019 875 I CB 2.370 40.332 38.000 -0.064 0.000 1.227 875 I HN 0.368 nan 8.210 nan 0.000 0.434 876 D N 3.728 124.126 120.400 -0.003 0.000 2.295 876 D HA 0.357 5.013 4.640 0.028 0.000 0.248 876 D C 0.033 176.333 176.300 0.001 0.000 1.154 876 D CA -0.199 53.818 54.000 0.027 0.000 0.857 876 D CB 1.216 42.044 40.800 0.046 0.000 1.117 876 D HN 0.657 nan 8.370 nan 0.000 0.468 877 L N 3.051 124.274 121.223 0.001 0.000 2.769 877 L HA 0.073 4.430 4.340 0.028 0.000 0.240 877 L C 1.959 178.790 176.870 -0.066 0.000 1.163 877 L CA -0.044 54.771 54.840 -0.041 0.000 0.962 877 L CB -0.078 41.961 42.059 -0.033 0.000 1.258 877 L HN 0.434 nan 8.230 nan 0.000 0.513 878 S N -0.436 115.244 115.700 -0.033 0.000 2.447 878 S HA -0.056 4.431 4.470 0.028 0.000 0.233 878 S C 1.701 176.218 174.600 -0.139 0.000 1.006 878 S CA 0.975 59.150 58.200 -0.042 0.000 0.957 878 S CB -0.007 63.233 63.200 0.066 0.000 0.773 878 S HN 0.568 nan 8.310 nan 0.000 0.507 879 G N -0.233 108.472 108.800 -0.158 0.000 2.176 879 G HA2 -0.269 3.708 3.960 0.028 0.000 0.232 879 G HA3 -0.269 3.708 3.960 0.028 0.000 0.232 879 G C 0.322 175.013 174.900 -0.348 0.000 0.986 879 G CA 0.253 45.183 45.100 -0.283 0.000 0.643 879 G HN 0.602 nan 8.290 nan 0.000 0.522 880 Y N 0.870 121.127 120.300 -0.072 0.000 2.468 880 Y HA 0.399 4.969 4.550 0.034 0.000 0.268 880 Y C 2.031 177.900 175.900 -0.052 0.000 1.177 880 Y CA 0.531 58.592 58.100 -0.064 0.000 1.265 880 Y CB 0.640 39.070 38.460 -0.049 0.000 1.103 880 Y HN 0.865 nan 8.280 nan 0.000 0.522 881 G N 1.121 109.950 108.800 0.048 0.000 2.323 881 G HA2 -0.238 3.739 3.960 0.028 0.000 0.292 881 G HA3 -0.238 3.739 3.960 0.028 0.000 0.292 881 G C 0.296 175.219 174.900 0.038 0.000 1.040 881 G CA 0.044 45.156 45.100 0.021 0.000 0.942 881 G HN 0.619 nan 8.290 nan 0.000 0.506 882 A N -0.047 122.809 122.820 0.059 0.000 2.498 882 A HA 0.534 4.870 4.320 0.028 0.000 0.239 882 A C 0.806 178.405 177.584 0.026 0.000 1.068 882 A CA 0.181 52.252 52.037 0.057 0.000 0.766 882 A CB 0.447 19.498 19.000 0.085 0.000 1.003 882 A HN 0.310 nan 8.150 nan 0.000 0.497 883 K N 1.915 122.326 120.400 0.019 0.000 2.312 883 K HA 0.375 4.711 4.320 0.028 0.000 0.287 883 K C -0.886 175.704 176.600 -0.016 0.000 1.062 883 K CA -0.169 56.115 56.287 -0.006 0.000 0.934 883 K CB 1.173 33.670 32.500 -0.005 0.000 1.027 883 K HN 0.339 nan 8.250 nan 0.000 0.478 884 V N 3.633 123.517 119.914 -0.051 0.000 2.350 884 V HA 0.174 4.310 4.120 0.028 0.000 0.285 884 V C 0.049 176.054 176.094 -0.149 0.000 1.014 884 V CA -0.775 61.471 62.300 -0.090 0.000 0.831 884 V CB 1.475 33.235 31.823 -0.105 0.000 1.000 884 V HN 0.527 nan 8.190 nan 0.000 0.433 885 E N 3.771 123.862 120.200 -0.182 0.000 2.092 885 E HA 0.374 4.741 4.350 0.028 0.000 0.271 885 E C -0.984 175.332 176.600 -0.474 0.000 0.919 885 E CA -0.334 55.859 56.400 -0.345 0.000 0.760 885 E CB 2.171 31.659 29.700 -0.355 0.000 1.106 885 E HN 0.436 nan 8.360 nan 0.000 0.408 886 V N 5.300 124.943 119.914 -0.451 0.000 2.333 886 V HA 0.217 4.354 4.120 0.028 0.000 0.274 886 V C -0.173 175.677 176.094 -0.407 0.000 1.028 886 V CA -0.660 61.425 62.300 -0.360 0.000 0.851 886 V CB -0.283 31.391 31.823 -0.247 0.000 1.000 886 V HN 0.492 nan 8.190 nan 0.000 0.456 887 Y N 1.791 122.053 120.300 -0.062 0.000 2.299 887 Y HA 0.090 4.658 4.550 0.031 0.000 0.335 887 Y C 1.619 177.500 175.900 -0.032 0.000 1.287 887 Y CA 0.017 58.093 58.100 -0.039 0.000 1.424 887 Y CB 0.437 38.880 38.460 -0.029 0.000 1.326 887 Y HN 0.647 nan 8.280 nan 0.000 0.567 888 D N 0.818 121.305 120.400 0.144 0.000 2.203 888 D HA -0.167 4.489 4.640 0.028 0.000 0.199 888 D C 2.014 178.345 176.300 0.052 0.000 0.997 888 D CA 1.795 55.837 54.000 0.071 0.000 0.863 888 D CB -0.202 40.638 40.800 0.066 0.000 0.928 888 D HN 0.809 nan 8.370 nan 0.000 0.458 889 G N -0.790 108.048 108.800 0.064 0.000 3.026 889 G HA2 0.103 4.080 3.960 0.028 0.000 0.208 889 G HA3 0.103 4.080 3.960 0.028 0.000 0.208 889 G C 0.163 175.074 174.900 0.019 0.000 1.169 889 G CA -0.107 45.012 45.100 0.032 0.000 0.788 889 G HN 0.134 nan 8.290 nan 0.000 0.533 890 V N 0.483 120.414 119.914 0.028 0.000 2.439 890 V HA 0.305 4.441 4.120 0.028 0.000 0.282 890 V C -0.101 176.007 176.094 0.022 0.000 1.039 890 V CA -0.994 61.318 62.300 0.020 0.000 0.913 890 V CB 1.860 33.687 31.823 0.005 0.000 0.983 890 V HN 0.288 nan 8.190 nan 0.000 0.460 891 E N 4.641 124.841 120.200 0.001 0.000 2.174 891 E HA 0.592 4.959 4.350 0.028 0.000 0.282 891 E C -1.449 175.256 176.600 0.175 0.000 0.992 891 E CA -0.489 55.939 56.400 0.046 0.000 0.803 891 E CB 1.119 30.803 29.700 -0.027 0.000 1.090 891 E HN 0.582 nan 8.360 nan 0.000 0.396 892 L N 3.912 125.268 121.223 0.222 0.000 2.354 892 L HA 0.534 4.891 4.340 0.028 0.000 0.269 892 L C -0.457 176.560 176.870 0.245 0.000 1.005 892 L CA -1.139 53.888 54.840 0.311 0.000 0.819 892 L CB 1.752 44.023 42.059 0.353 0.000 1.311 892 L HN 0.596 nan 8.230 nan 0.000 0.423 893 N N -1.622 117.140 118.700 0.103 0.000 2.571 893 N HA 0.257 5.013 4.740 0.028 0.000 0.273 893 N C -0.496 174.580 175.510 -0.725 0.000 1.340 893 N CA -0.957 52.000 53.050 -0.154 0.000 0.789 893 N CB 0.799 39.257 38.487 -0.047 0.000 1.514 893 N HN 0.541 nan 8.380 nan 0.000 0.499 894 D N -1.078 118.850 120.400 -0.787 0.000 2.371 894 D HA -0.048 4.609 4.640 0.028 0.000 0.234 894 D C 0.142 176.164 176.300 -0.463 0.000 1.049 894 D CA 0.673 54.103 54.000 -0.950 0.000 0.907 894 D CB -0.062 40.498 40.800 -0.400 0.000 0.891 894 D HN 0.596 nan 8.370 nan 0.000 0.531 895 K N 0.039 120.222 120.400 -0.361 0.000 2.410 895 K HA 0.121 4.458 4.320 0.028 0.000 0.200 895 K C 0.074 176.499 176.600 -0.293 0.000 1.023 895 K CA -0.298 55.826 56.287 -0.272 0.000 1.149 895 K CB 0.019 32.355 32.500 -0.273 0.000 0.859 895 K HN -0.017 nan 8.250 nan 0.000 0.514 896 N N 2.022 120.586 118.700 -0.227 0.000 2.741 896 N HA -0.182 4.575 4.740 0.028 0.000 0.251 896 N C -0.999 174.506 175.510 -0.009 0.000 1.112 896 N CA 1.000 54.012 53.050 -0.065 0.000 0.750 896 N CB -0.671 37.736 38.487 -0.134 0.000 1.119 896 N HN 0.470 nan 8.380 nan 0.000 0.561 897 Q N 0.196 120.018 119.800 0.036 0.000 2.241 897 Q HA 0.552 4.909 4.340 0.028 0.000 0.254 897 Q C -0.163 176.185 176.000 0.581 0.000 0.917 897 Q CA -0.423 55.542 55.803 0.269 0.000 0.919 897 Q CB 0.852 29.722 28.738 0.221 0.000 1.237 897 Q HN 0.318 nan 8.270 nan 0.000 0.434 898 F N -0.954 119.331 119.950 0.558 0.000 2.565 898 F HA 0.634 5.178 4.527 0.028 0.000 0.313 898 F C -0.998 174.891 175.800 0.147 0.000 1.091 898 F CA -1.249 56.947 58.000 0.326 0.000 0.915 898 F CB 1.436 40.539 39.000 0.172 0.000 1.208 898 F HN 0.239 nan 8.300 nan 0.000 0.453 899 K N 4.675 124.992 120.400 -0.138 0.000 2.244 899 K HA 0.629 4.965 4.320 0.028 0.000 0.260 899 K C -1.744 174.748 176.600 -0.180 0.000 0.951 899 K CA -0.653 55.226 56.287 -0.680 0.000 0.826 899 K CB 1.346 32.860 32.500 -1.644 0.000 1.108 899 K HN 0.939 nan 8.250 nan 0.000 0.433 900 L N 4.463 125.646 121.223 -0.067 0.000 2.287 900 L HA 0.333 4.690 4.340 0.028 0.000 0.287 900 L C 0.570 177.457 176.870 0.029 0.000 1.022 900 L CA -0.663 54.216 54.840 0.064 0.000 0.814 900 L CB 1.601 43.771 42.059 0.185 0.000 1.217 900 L HN 0.842 nan 8.230 nan 0.000 0.420 901 T N -1.890 112.671 114.554 0.011 0.000 2.876 901 T HA 0.209 4.575 4.350 0.028 0.000 0.277 901 T C 1.069 175.781 174.700 0.021 0.000 0.997 901 T CA -0.034 62.082 62.100 0.026 0.000 0.966 901 T CB 1.456 70.313 68.868 -0.018 0.000 1.312 901 T HN 0.517 nan 8.240 nan 0.000 0.598 902 S N -0.612 115.093 115.700 0.009 0.000 2.603 902 S HA 0.185 4.672 4.470 0.028 0.000 0.220 902 S C 0.687 175.277 174.600 -0.015 0.000 0.967 902 S CA -0.597 57.592 58.200 -0.018 0.000 0.920 902 S CB -0.580 62.602 63.200 -0.030 0.000 0.773 902 S HN 0.568 nan 8.310 nan 0.000 0.529 903 S N 1.425 117.120 115.700 -0.008 0.000 2.580 903 S HA 0.607 5.093 4.470 0.028 0.000 0.274 903 S C 1.479 176.070 174.600 -0.014 0.000 1.329 903 S CA -0.114 58.079 58.200 -0.012 0.000 1.036 903 S CB 1.185 64.380 63.200 -0.009 0.000 0.919 903 S HN 0.560 nan 8.310 nan 0.000 0.515 904 A N 2.788 125.593 122.820 -0.025 0.000 1.972 904 A HA -0.153 4.184 4.320 0.028 0.000 0.219 904 A C 1.710 179.261 177.584 -0.054 0.000 1.169 904 A CA 1.716 53.727 52.037 -0.042 0.000 0.635 904 A CB -0.616 18.354 19.000 -0.051 0.000 0.810 904 A HN 0.859 nan 8.150 nan 0.000 0.446 905 N N -0.539 118.140 118.700 -0.034 0.000 2.383 905 N HA 0.040 4.797 4.740 0.028 0.000 0.192 905 N C 0.138 175.675 175.510 0.045 0.000 1.141 905 N CA 0.763 53.801 53.050 -0.019 0.000 0.851 905 N CB -0.400 38.092 38.487 0.008 0.000 0.976 905 N HN 0.119 nan 8.380 nan 0.000 0.465 906 S N 0.290 116.010 115.700 0.032 0.000 3.363 906 S HA 0.267 4.754 4.470 0.028 0.000 0.267 906 S C -0.566 174.084 174.600 0.084 0.000 1.288 906 S CA -0.729 57.504 58.200 0.055 0.000 0.948 906 S CB -0.454 62.765 63.200 0.031 0.000 1.397 906 S HN 0.486 nan 8.310 nan 0.000 0.493 907 K N 3.955 124.436 120.400 0.135 0.000 2.568 907 K HA 0.523 4.860 4.320 0.028 0.000 0.273 907 K C -1.826 174.921 176.600 0.245 0.000 0.951 907 K CA -0.780 55.609 56.287 0.171 0.000 0.854 907 K CB 1.223 33.779 32.500 0.093 0.000 1.424 907 K HN 0.436 nan 8.250 nan 0.000 0.427 908 I N 2.618 123.298 120.570 0.183 0.000 2.498 908 I HA 0.435 4.621 4.170 0.028 0.000 0.290 908 I C -0.521 175.703 176.117 0.178 0.000 1.032 908 I CA -0.917 60.411 61.300 0.046 0.000 1.073 908 I CB 2.053 39.852 38.000 -0.334 0.000 1.251 908 I HN 0.516 nan 8.210 nan 0.000 0.426 909 R N 5.835 126.417 120.500 0.138 0.000 2.343 909 R HA 0.675 5.031 4.340 0.028 0.000 0.320 909 R C -1.831 174.516 176.300 0.079 0.000 0.956 909 R CA -0.452 55.742 56.100 0.157 0.000 0.836 909 R CB 1.674 32.108 30.300 0.223 0.000 1.151 909 R HN 0.474 nan 8.270 nan 0.000 0.450 910 V N 4.120 124.106 119.914 0.120 0.000 2.378 910 V HA 0.262 4.399 4.120 0.028 0.000 0.288 910 V C -0.206 175.945 176.094 0.096 0.000 1.016 910 V CA -0.559 61.804 62.300 0.106 0.000 0.840 910 V CB 1.914 33.850 31.823 0.189 0.000 0.994 910 V HN 0.769 nan 8.190 nan 0.000 0.431 911 T N 5.999 120.593 114.554 0.067 0.000 2.762 911 T HA 0.321 4.688 4.350 0.028 0.000 0.303 911 T C 0.098 174.840 174.700 0.070 0.000 0.977 911 T CA -0.291 61.844 62.100 0.058 0.000 0.961 911 T CB 0.406 69.296 68.868 0.037 0.000 0.944 911 T HN 0.673 nan 8.240 nan 0.000 0.481 912 Q N 2.357 122.211 119.800 0.090 0.000 2.443 912 Q HA 0.191 4.548 4.340 0.028 0.000 0.232 912 Q C 0.474 176.515 176.000 0.069 0.000 1.026 912 Q CA -0.735 55.127 55.803 0.098 0.000 0.924 912 Q CB 0.597 29.421 28.738 0.143 0.000 1.256 912 Q HN 0.431 nan 8.270 nan 0.000 0.519 913 N N 1.398 120.129 118.700 0.053 0.000 2.420 913 N HA -0.058 4.699 4.740 0.028 0.000 0.262 913 N C 0.237 175.766 175.510 0.032 0.000 1.144 913 N CA 0.250 53.321 53.050 0.034 0.000 0.952 913 N CB 0.865 39.367 38.487 0.025 0.000 1.081 913 N HN 0.470 nan 8.380 nan 0.000 0.480 914 Q N 1.908 121.732 119.800 0.041 0.000 2.472 914 Q HA 0.070 4.427 4.340 0.028 0.000 0.208 914 Q C -0.221 175.813 176.000 0.056 0.000 0.958 914 Q CA 0.604 56.439 55.803 0.053 0.000 0.932 914 Q CB 0.157 28.921 28.738 0.043 0.000 1.007 914 Q HN 0.557 nan 8.270 nan 0.000 0.508 915 N N 0.625 119.348 118.700 0.039 0.000 2.376 915 N HA 0.218 4.975 4.740 0.028 0.000 0.249 915 N C -0.302 175.234 175.510 0.044 0.000 1.140 915 N CA 0.115 53.197 53.050 0.053 0.000 0.870 915 N CB 0.849 39.359 38.487 0.039 0.000 1.124 915 N HN 0.209 nan 8.380 nan 0.000 0.505 916 I N 1.083 121.657 120.570 0.008 0.000 2.406 916 I HA 0.336 4.523 4.170 0.028 0.000 0.290 916 I C 0.440 176.599 176.117 0.070 0.000 0.999 916 I CA -0.825 60.441 61.300 -0.057 0.000 1.124 916 I CB 2.025 39.834 38.000 -0.318 0.000 1.289 916 I HN -0.180 nan 8.210 nan 0.000 0.441 917 I N 6.550 127.188 120.570 0.114 0.000 2.691 917 I HA -0.095 4.092 4.170 0.028 0.000 0.288 917 I C 0.543 176.776 176.117 0.193 0.000 1.143 917 I CA 1.112 62.511 61.300 0.164 0.000 1.364 917 I CB -0.147 37.960 38.000 0.179 0.000 1.435 917 I HN 0.727 nan 8.210 nan 0.000 0.551 918 F N 6.309 126.252 119.950 -0.011 0.000 2.581 918 F HA 0.104 4.649 4.527 0.030 0.000 0.278 918 F C 1.363 177.124 175.800 -0.065 0.000 1.000 918 F CA -0.594 57.379 58.000 -0.045 0.000 1.230 918 F CB 0.516 39.475 39.000 -0.068 0.000 1.008 918 F HN 0.483 nan 8.300 nan 0.000 0.695 919 N N 1.045 119.727 118.700 -0.031 0.000 2.366 919 N HA 0.211 4.968 4.740 0.028 0.000 0.277 919 N C 0.036 175.507 175.510 -0.064 0.000 1.275 919 N CA 0.686 53.632 53.050 -0.172 0.000 0.964 919 N CB 1.143 39.535 38.487 -0.158 0.000 1.167 919 N HN 0.289 nan 8.380 nan 0.000 0.568 920 S N -2.321 113.335 115.700 -0.073 0.000 3.845 920 S HA -0.247 4.240 4.470 0.028 0.000 0.641 920 S C 0.911 175.530 174.600 0.032 0.000 1.900 920 S CA 2.077 60.270 58.200 -0.012 0.000 2.062 920 S CB -1.495 61.713 63.200 0.013 0.000 0.327 920 S HN 2.168 nan 8.310 nan 0.000 1.788 921 V N -2.203 117.773 119.914 0.104 0.000 0.540 921 V HA -0.386 3.750 4.120 0.028 0.000 0.092 921 V C 0.962 177.289 176.094 0.387 0.000 2.123 921 V CA 3.236 65.681 62.300 0.242 0.000 3.520 921 V CB -2.304 29.740 31.823 0.368 0.000 0.812 921 V HN 2.487 nan 8.190 nan 0.000 0.847 922 F N -0.959 119.017 119.950 0.043 0.000 3.281 922 F HA 0.757 5.301 4.527 0.028 0.000 0.339 922 F C -0.551 175.298 175.800 0.082 0.000 1.275 922 F CA -0.378 57.654 58.000 0.053 0.000 0.843 922 F CB -0.569 38.461 39.000 0.051 0.000 1.717 922 F HN 1.498 nan 8.300 nan 0.000 0.480 923 L N 2.551 123.543 121.223 -0.384 0.000 2.785 923 L HA -0.000 4.356 4.340 0.028 0.000 0.590 923 L C -1.374 175.260 176.870 -0.394 0.000 1.000 923 L CA 0.908 55.605 54.840 -0.238 0.000 1.306 923 L CB -0.687 41.382 42.059 0.017 0.000 1.738 923 L HN 0.742 nan 8.230 nan 0.000 0.846 924 D N 5.638 125.901 120.400 -0.229 0.000 2.337 924 D HA 0.620 5.277 4.640 0.028 0.000 0.238 924 D C -0.810 175.668 176.300 0.296 0.000 1.331 924 D CA 0.339 54.264 54.000 -0.125 0.000 0.967 924 D CB 0.376 40.873 40.800 -0.506 0.000 1.382 924 D HN 0.545 nan 8.370 nan 0.000 0.549 925 F N -0.168 119.805 119.950 0.038 0.000 2.713 925 F HA 0.805 5.348 4.527 0.027 0.000 0.311 925 F C -1.495 174.292 175.800 -0.021 0.000 1.141 925 F CA -0.853 57.209 58.000 0.103 0.000 0.939 925 F CB 1.306 40.530 39.000 0.374 0.000 1.325 925 F HN 0.015 nan 8.300 nan 0.000 0.453 926 S N 0.863 116.471 115.700 -0.154 0.000 2.569 926 S HA 0.825 5.311 4.470 0.028 0.000 0.280 926 S C -1.510 172.961 174.600 -0.214 0.000 1.111 926 S CA -0.790 57.187 58.200 -0.371 0.000 0.887 926 S CB 2.213 65.216 63.200 -0.329 0.000 1.095 926 S HN 0.635 nan 8.310 nan 0.000 0.476 927 V N 2.450 122.129 119.914 -0.393 0.000 2.577 927 V HA 0.769 4.905 4.120 0.028 0.000 0.303 927 V C -0.514 175.409 176.094 -0.285 0.000 1.042 927 V CA -0.610 61.521 62.300 -0.282 0.000 0.872 927 V CB 1.752 33.377 31.823 -0.330 0.000 0.998 927 V HN 0.986 nan 8.190 nan 0.000 0.423 928 S N 4.649 120.251 115.700 -0.163 0.000 2.548 928 S HA 0.998 5.485 4.470 0.028 0.000 0.286 928 S C -1.019 173.634 174.600 0.089 0.000 1.098 928 S CA -0.640 57.429 58.200 -0.219 0.000 0.930 928 S CB 2.363 65.565 63.200 0.003 0.000 1.070 928 S HN 1.348 nan 8.310 nan 0.000 0.480 929 F N -2.269 117.728 119.950 0.077 0.000 2.769 929 F HA 0.753 5.296 4.527 0.027 0.000 0.313 929 F C -2.413 173.643 175.800 0.425 0.000 1.146 929 F CA -1.746 56.505 58.000 0.418 0.000 0.934 929 F CB 0.082 39.384 39.000 0.503 0.000 1.283 929 F HN 0.635 nan 8.300 nan 0.000 0.443 930 W N 3.173 124.913 121.300 0.732 0.000 2.512 930 W HA 0.809 5.486 4.660 0.028 0.000 0.335 930 W C -0.658 176.322 176.519 0.768 0.000 1.088 930 W CA -0.833 56.902 57.345 0.650 0.000 1.236 930 W CB 1.741 31.491 29.460 0.482 0.000 1.307 930 W HN 0.730 nan 8.180 nan 0.000 0.567 931 I N 2.019 123.015 120.570 0.709 0.000 2.894 931 I HA 0.511 4.698 4.170 0.028 0.000 0.302 931 I C -1.156 174.866 176.117 -0.157 0.000 1.188 931 I CA -1.413 60.085 61.300 0.330 0.000 1.014 931 I CB 2.034 40.189 38.000 0.259 0.000 1.242 931 I HN 0.449 nan 8.210 nan 0.000 0.430 932 R N 7.294 127.554 120.500 -0.400 0.000 2.468 932 R HA 0.590 4.946 4.340 0.028 0.000 0.302 932 R C -1.822 174.409 176.300 -0.115 0.000 1.041 932 R CA -0.450 55.362 56.100 -0.480 0.000 0.899 932 R CB 1.100 30.689 30.300 -1.185 0.000 1.167 932 R HN 0.554 nan 8.270 nan 0.000 0.483 933 I N 6.880 127.464 120.570 0.023 0.000 2.321 933 I HA 0.368 4.555 4.170 0.028 0.000 0.291 933 I C -1.799 174.362 176.117 0.073 0.000 0.998 933 I CA -2.401 58.965 61.300 0.110 0.000 1.227 933 I CB 1.624 39.801 38.000 0.294 0.000 1.368 933 I HN 0.408 nan 8.210 nan 0.000 0.466 934 P HA 0.006 nan 4.420 nan 0.000 0.269 934 P C -0.638 176.610 177.300 -0.087 0.000 1.215 934 P CA -0.379 62.618 63.100 -0.172 0.000 0.780 934 P CB 0.940 32.306 31.700 -0.556 0.000 0.898 935 K N 2.144 122.418 120.400 -0.209 0.000 2.319 935 K HA 0.026 4.362 4.320 0.028 0.000 0.265 935 K C 0.012 176.250 176.600 -0.603 0.000 1.000 935 K CA -0.314 55.659 56.287 -0.523 0.000 0.943 935 K CB -0.012 31.893 32.500 -0.991 0.000 0.950 935 K HN 0.387 nan 8.250 nan 0.000 0.485 936 Y N 0.724 120.703 120.300 -0.536 0.000 2.457 936 Y HA 0.209 4.775 4.550 0.028 0.000 0.341 936 Y C -0.060 175.569 175.900 -0.452 0.000 1.240 936 Y CA -0.887 56.772 58.100 -0.735 0.000 1.437 936 Y CB 0.239 37.801 38.460 -1.498 0.000 1.328 936 Y HN 0.186 nan 8.280 nan 0.000 0.588 937 K N 2.774 123.107 120.400 -0.112 0.000 2.276 937 K HA 0.082 4.419 4.320 0.028 0.000 0.283 937 K C 0.383 177.009 176.600 0.045 0.000 1.044 937 K CA -0.203 56.043 56.287 -0.067 0.000 0.944 937 K CB 0.765 33.251 32.500 -0.024 0.000 1.012 937 K HN 0.782 nan 8.250 nan 0.000 0.472 938 N N 2.060 120.806 118.700 0.077 0.000 2.104 938 N HA -0.196 4.560 4.740 0.028 0.000 0.190 938 N C 0.690 176.267 175.510 0.112 0.000 1.024 938 N CA 1.552 54.702 53.050 0.167 0.000 0.853 938 N CB -0.081 38.569 38.487 0.272 0.000 1.008 938 N HN 0.620 nan 8.380 nan 0.000 0.424 939 D N -1.272 119.176 120.400 0.080 0.000 2.323 939 D HA 0.097 4.753 4.640 0.028 0.000 0.239 939 D C 0.855 177.179 176.300 0.040 0.000 1.129 939 D CA 0.097 54.133 54.000 0.061 0.000 0.865 939 D CB -0.561 40.269 40.800 0.050 0.000 0.913 939 D HN 0.205 nan 8.370 nan 0.000 0.517 940 G N -0.194 108.627 108.800 0.034 0.000 4.424 940 G HA2 0.116 4.092 3.960 0.028 0.000 0.287 940 G HA3 0.116 4.092 3.960 0.028 0.000 0.287 940 G C 0.681 175.601 174.900 0.034 0.000 1.023 940 G CA -0.342 44.777 45.100 0.033 0.000 0.790 940 G HN 0.184 nan 8.290 nan 0.000 0.468 941 I N 0.129 120.692 120.570 -0.011 0.000 2.394 941 I HA -0.071 4.115 4.170 0.028 0.000 0.251 941 I C 2.428 178.503 176.117 -0.070 0.000 1.136 941 I CA 1.376 62.626 61.300 -0.084 0.000 1.425 941 I CB 0.217 38.107 38.000 -0.183 0.000 1.079 941 I HN 0.079 nan 8.210 nan 0.000 0.425 942 Q N 0.526 120.289 119.800 -0.062 0.000 2.020 942 Q HA -0.184 4.173 4.340 0.028 0.000 0.202 942 Q C 2.092 178.077 176.000 -0.025 0.000 0.982 942 Q CA 1.666 57.413 55.803 -0.093 0.000 0.838 942 Q CB -0.785 27.920 28.738 -0.056 0.000 0.899 942 Q HN 0.547 nan 8.270 nan 0.000 0.423 943 N N -0.016 118.701 118.700 0.028 0.000 2.188 943 N HA -0.153 4.603 4.740 0.028 0.000 0.184 943 N C 1.680 177.250 175.510 0.100 0.000 1.018 943 N CA 0.825 53.917 53.050 0.071 0.000 0.858 943 N CB -0.463 38.057 38.487 0.055 0.000 0.989 943 N HN 0.323 nan 8.380 nan 0.000 0.426 944 Y N 2.147 122.430 120.300 -0.028 0.000 2.128 944 Y HA -0.195 4.371 4.550 0.027 0.000 0.284 944 Y C 2.064 177.936 175.900 -0.046 0.000 1.154 944 Y CA 1.679 59.772 58.100 -0.013 0.000 1.149 944 Y CB -0.305 38.153 38.460 -0.004 0.000 0.976 944 Y HN 0.062 nan 8.280 nan 0.000 0.505 945 I N -2.100 118.463 120.570 -0.012 0.000 3.428 945 I HA 0.061 4.247 4.170 0.028 0.000 0.286 945 I C 1.756 177.795 176.117 -0.131 0.000 1.287 945 I CA 1.494 62.687 61.300 -0.179 0.000 1.396 945 I CB -0.591 37.253 38.000 -0.259 0.000 1.062 945 I HN 0.190 nan 8.210 nan 0.000 0.471 946 H N 0.729 119.707 119.070 -0.154 0.000 2.506 946 H HA 0.341 4.914 4.556 0.028 0.000 0.289 946 H C 0.240 175.515 175.328 -0.089 0.000 1.009 946 H CA 0.170 56.148 56.048 -0.117 0.000 1.303 946 H CB 0.315 30.025 29.762 -0.087 0.000 1.453 946 H HN 0.210 nan 8.280 nan 0.000 0.526 947 N N 2.358 121.019 118.700 -0.065 0.000 2.401 947 N HA 0.018 4.775 4.740 0.028 0.000 0.255 947 N C -0.614 174.884 175.510 -0.022 0.000 1.110 947 N CA 0.001 53.013 53.050 -0.064 0.000 0.949 947 N CB 1.022 39.527 38.487 0.029 0.000 1.110 947 N HN 0.563 nan 8.380 nan 0.000 0.490 948 E N 2.837 122.983 120.200 -0.091 0.000 2.283 948 E HA 0.200 4.567 4.350 0.028 0.000 0.278 948 E C -1.152 175.465 176.600 0.027 0.000 1.027 948 E CA -0.650 55.690 56.400 -0.100 0.000 0.843 948 E CB 0.528 30.127 29.700 -0.168 0.000 1.062 948 E HN 0.520 nan 8.360 nan 0.000 0.401 949 Y N 0.220 120.466 120.300 -0.090 0.000 2.477 949 Y HA 0.456 5.022 4.550 0.027 0.000 0.347 949 Y C -0.535 175.341 175.900 -0.041 0.000 0.981 949 Y CA -1.238 56.825 58.100 -0.061 0.000 1.033 949 Y CB 1.154 39.583 38.460 -0.051 0.000 1.245 949 Y HN 0.180 nan 8.280 nan 0.000 0.455 950 T N 4.285 118.862 114.554 0.039 0.000 2.913 950 T HA 0.285 4.652 4.350 0.028 0.000 0.297 950 T C 1.143 175.872 174.700 0.049 0.000 1.029 950 T CA 0.037 62.127 62.100 -0.018 0.000 1.104 950 T CB 0.768 69.621 68.868 -0.025 0.000 0.964 950 T HN 0.838 nan 8.240 nan 0.000 0.532 951 I N -0.989 119.584 120.570 0.004 0.000 4.338 951 I HA 0.506 4.693 4.170 0.028 0.000 0.315 951 I C -0.184 175.902 176.117 -0.052 0.000 1.262 951 I CA 0.020 61.349 61.300 0.048 0.000 1.298 951 I CB 0.627 38.668 38.000 0.068 0.000 1.257 951 I HN 0.349 nan 8.210 nan 0.000 0.444 952 I N 2.387 122.886 120.570 -0.119 0.000 2.512 952 I HA 0.360 4.547 4.170 0.028 0.000 0.287 952 I C -1.271 174.711 176.117 -0.225 0.000 1.069 952 I CA -0.335 60.778 61.300 -0.312 0.000 1.056 952 I CB 1.954 39.729 38.000 -0.375 0.000 1.229 952 I HN 0.189 nan 8.210 nan 0.000 0.429 953 N N 5.342 123.844 118.700 -0.330 0.000 2.296 953 N HA 0.495 5.251 4.740 0.028 0.000 0.294 953 N C -1.732 173.453 175.510 -0.543 0.000 1.033 953 N CA -0.363 52.471 53.050 -0.359 0.000 0.839 953 N CB 2.444 40.794 38.487 -0.228 0.000 1.395 953 N HN 0.622 nan 8.380 nan 0.000 0.479 954 C N 6.815 125.626 119.300 -0.814 0.000 2.801 954 C HA 0.560 5.037 4.460 0.028 0.000 0.296 954 C C -1.119 173.475 174.990 -0.660 0.000 1.054 954 C CA -0.485 57.989 59.018 -0.906 0.000 1.442 954 C CB -0.675 26.002 27.740 -1.770 0.000 1.860 954 C HN 0.650 nan 8.230 nan 0.000 0.459 955 M N 3.776 123.151 119.600 -0.376 0.000 2.644 955 M HA 0.594 5.090 4.480 0.028 0.000 0.304 955 M C -0.866 175.330 176.300 -0.173 0.000 1.215 955 M CA -0.425 54.721 55.300 -0.256 0.000 0.871 955 M CB 2.175 34.655 32.600 -0.200 0.000 1.740 955 M HN 0.646 nan 8.290 nan 0.000 0.464 956 K N 1.845 122.164 120.400 -0.135 0.000 2.616 956 K HA 0.307 4.644 4.320 0.028 0.000 0.255 956 K C -0.917 175.636 176.600 -0.079 0.000 0.995 956 K CA -0.191 56.039 56.287 -0.094 0.000 0.860 956 K CB 0.755 33.205 32.500 -0.083 0.000 1.264 956 K HN 0.752 nan 8.250 nan 0.000 0.451 957 N N 4.114 122.774 118.700 -0.066 0.000 2.758 957 N HA -0.198 4.559 4.740 0.028 0.000 0.248 957 N C -1.012 174.462 175.510 -0.059 0.000 1.076 957 N CA 1.195 54.212 53.050 -0.055 0.000 0.696 957 N CB -1.158 37.300 38.487 -0.048 0.000 0.979 957 N HN 0.999 nan 8.380 nan 0.000 0.550 958 N N -1.884 116.776 118.700 -0.068 0.000 2.714 958 N HA -0.201 4.555 4.740 0.028 0.000 0.250 958 N C -0.604 174.863 175.510 -0.072 0.000 1.117 958 N CA 1.507 54.516 53.050 -0.069 0.000 0.719 958 N CB -0.932 37.523 38.487 -0.053 0.000 1.081 958 N HN 0.583 nan 8.380 nan 0.000 0.557 959 S N -1.422 114.227 115.700 -0.084 0.000 2.541 959 S HA 0.829 5.315 4.470 0.028 0.000 0.280 959 S C 0.224 174.757 174.600 -0.112 0.000 1.112 959 S CA 0.404 58.555 58.200 -0.082 0.000 0.925 959 S CB 2.230 65.390 63.200 -0.067 0.000 1.067 959 S HN 0.752 nan 8.310 nan 0.000 0.479 960 G N 2.948 111.688 108.800 -0.100 0.000 2.441 960 G HA2 0.250 4.226 3.960 0.028 0.000 0.222 960 G HA3 0.250 4.226 3.960 0.028 0.000 0.222 960 G C -1.832 173.037 174.900 -0.052 0.000 1.254 960 G CA -0.085 44.939 45.100 -0.127 0.000 0.959 960 G HN 1.078 nan 8.290 nan 0.000 0.474 961 W N 0.523 121.728 121.300 -0.158 0.000 3.062 961 W HA 0.831 5.506 4.660 0.026 0.000 0.336 961 W C -0.906 175.446 176.519 -0.279 0.000 1.224 961 W CA -0.918 56.233 57.345 -0.324 0.000 1.159 961 W CB 1.494 30.726 29.460 -0.380 0.000 1.454 961 W HN 1.043 nan 8.180 nan 0.000 0.569 962 K N 0.590 120.966 120.400 -0.041 0.000 2.568 962 K HA 0.729 5.066 4.320 0.028 0.000 0.273 962 K C -2.049 174.636 176.600 0.143 0.000 0.951 962 K CA -0.916 55.394 56.287 0.038 0.000 0.854 962 K CB 2.369 34.806 32.500 -0.105 0.000 1.424 962 K HN 0.538 nan 8.250 nan 0.000 0.427 963 I N 2.525 123.247 120.570 0.254 0.000 2.362 963 I HA 0.309 4.496 4.170 0.028 0.000 0.289 963 I C -0.487 175.691 176.117 0.102 0.000 0.994 963 I CA -0.430 61.049 61.300 0.299 0.000 1.158 963 I CB 1.974 40.212 38.000 0.396 0.000 1.315 963 I HN 0.905 nan 8.210 nan 0.000 0.451 964 S N 6.642 122.373 115.700 0.052 0.000 2.667 964 S HA 0.809 5.296 4.470 0.028 0.000 0.292 964 S C -0.791 173.701 174.600 -0.180 0.000 1.126 964 S CA -0.807 57.334 58.200 -0.099 0.000 0.881 964 S CB 2.352 65.486 63.200 -0.110 0.000 1.132 964 S HN 0.440 nan 8.310 nan 0.000 0.492 965 I N 0.596 120.883 120.570 -0.471 0.000 2.619 965 I HA 0.517 4.703 4.170 0.028 0.000 0.292 965 I C -0.438 175.321 176.117 -0.595 0.000 1.100 965 I CA -0.507 60.471 61.300 -0.537 0.000 1.043 965 I CB 2.348 39.952 38.000 -0.660 0.000 1.239 965 I HN 0.681 nan 8.210 nan 0.000 0.420 966 R N 4.535 124.804 120.500 -0.385 0.000 2.407 966 R HA 0.517 4.873 4.340 0.028 0.000 0.298 966 R C 0.492 176.535 176.300 -0.428 0.000 1.166 966 R CA 0.416 56.310 56.100 -0.344 0.000 1.006 966 R CB 1.055 31.169 30.300 -0.309 0.000 1.145 966 R HN 0.948 nan 8.270 nan 0.000 0.538 967 G N 3.906 112.369 108.800 -0.562 0.000 2.620 967 G HA2 -0.460 3.517 3.960 0.028 0.000 0.315 967 G HA3 -0.460 3.517 3.960 0.028 0.000 0.315 967 G C 0.340 174.797 174.900 -0.738 0.000 1.179 967 G CA 0.588 44.949 45.100 -1.231 0.000 0.971 967 G HN 0.728 nan 8.290 nan 0.000 0.544 968 N N 1.342 119.736 118.700 -0.509 0.000 2.276 968 N HA 0.099 4.856 4.740 0.028 0.000 0.212 968 N C 0.679 175.667 175.510 -0.870 0.000 1.127 968 N CA 0.650 53.334 53.050 -0.611 0.000 0.834 968 N CB 0.429 38.665 38.487 -0.418 0.000 1.014 968 N HN 0.850 nan 8.380 nan 0.000 0.491 969 R N 0.561 120.771 120.500 -0.484 0.000 2.534 969 R HA 0.496 4.852 4.340 0.028 0.000 0.301 969 R C -1.329 174.896 176.300 -0.124 0.000 0.961 969 R CA -0.705 55.196 56.100 -0.332 0.000 0.871 969 R CB 1.406 31.479 30.300 -0.379 0.000 1.170 969 R HN 0.176 nan 8.270 nan 0.000 0.446 970 I N 5.858 126.478 120.570 0.083 0.000 2.377 970 I HA 0.408 4.595 4.170 0.028 0.000 0.293 970 I C -1.201 175.064 176.117 0.246 0.000 0.987 970 I CA -0.893 60.524 61.300 0.194 0.000 1.185 970 I CB 1.111 39.342 38.000 0.383 0.000 1.341 970 I HN 0.638 nan 8.210 nan 0.000 0.455 971 I N 7.672 128.357 120.570 0.192 0.000 2.474 971 I HA 0.311 4.497 4.170 0.028 0.000 0.294 971 I C -1.012 175.299 176.117 0.324 0.000 1.005 971 I CA -0.453 60.993 61.300 0.244 0.000 1.113 971 I CB 1.670 39.731 38.000 0.101 0.000 1.289 971 I HN 0.606 nan 8.210 nan 0.000 0.436 972 W N 6.519 127.912 121.300 0.154 0.000 2.417 972 W HA 0.536 5.212 4.660 0.027 0.000 0.315 972 W C -1.480 175.123 176.519 0.140 0.000 1.045 972 W CA -0.427 57.009 57.345 0.152 0.000 1.221 972 W CB 1.885 31.409 29.460 0.107 0.000 1.309 972 W HN 0.410 nan 8.180 nan 0.000 0.453 973 T N 7.083 121.391 114.554 -0.409 0.000 2.848 973 T HA 0.519 4.885 4.350 0.028 0.000 0.285 973 T C -0.280 174.144 174.700 -0.459 0.000 0.995 973 T CA -0.500 61.403 62.100 -0.329 0.000 0.970 973 T CB 1.684 70.463 68.868 -0.148 0.000 0.976 973 T HN 0.295 nan 8.240 nan 0.000 0.441 974 L N 3.561 124.626 121.223 -0.263 0.000 2.334 974 L HA 0.699 5.056 4.340 0.028 0.000 0.273 974 L C -0.660 176.175 176.870 -0.058 0.000 1.013 974 L CA -1.067 53.697 54.840 -0.126 0.000 0.816 974 L CB 1.697 43.760 42.059 0.007 0.000 1.278 974 L HN 0.535 nan 8.230 nan 0.000 0.431 975 I N 1.591 122.138 120.570 -0.037 0.000 2.531 975 I HA 0.161 4.348 4.170 0.028 0.000 0.283 975 I C -0.973 175.130 176.117 -0.023 0.000 1.083 975 I CA -0.770 60.509 61.300 -0.036 0.000 1.071 975 I CB 1.883 39.848 38.000 -0.059 0.000 1.210 975 I HN 0.593 nan 8.210 nan 0.000 0.450 976 D N 5.747 126.141 120.400 -0.010 0.000 2.377 976 D HA 0.117 4.774 4.640 0.028 0.000 0.245 976 D C 1.530 177.817 176.300 -0.022 0.000 1.196 976 D CA -0.598 53.395 54.000 -0.011 0.000 0.962 976 D CB 0.955 41.757 40.800 0.003 0.000 1.127 976 D HN 0.631 nan 8.370 nan 0.000 0.471 977 I N -2.426 118.129 120.570 -0.025 0.000 2.479 977 I HA -0.304 3.883 4.170 0.028 0.000 0.258 977 I C 0.647 176.751 176.117 -0.022 0.000 1.165 977 I CA 1.293 62.576 61.300 -0.028 0.000 1.422 977 I CB -0.559 37.425 38.000 -0.027 0.000 1.087 977 I HN 0.186 nan 8.210 nan 0.000 0.441 978 N N 1.187 119.877 118.700 -0.016 0.000 2.392 978 N HA 0.106 4.863 4.740 0.028 0.000 0.177 978 N C 1.594 177.095 175.510 -0.015 0.000 1.066 978 N CA 1.185 54.227 53.050 -0.012 0.000 0.895 978 N CB 0.895 39.379 38.487 -0.006 0.000 0.988 978 N HN 0.680 nan 8.380 nan 0.000 0.457 979 G N 0.995 109.784 108.800 -0.018 0.000 2.201 979 G HA2 -0.252 3.724 3.960 0.028 0.000 0.212 979 G HA3 -0.252 3.724 3.960 0.028 0.000 0.212 979 G C 0.126 175.016 174.900 -0.017 0.000 0.994 979 G CA -0.225 44.862 45.100 -0.021 0.000 0.644 979 G HN 0.339 nan 8.290 nan 0.000 0.508 980 K N 1.298 121.692 120.400 -0.010 0.000 2.448 980 K HA 0.463 4.799 4.320 0.028 0.000 0.278 980 K C -0.467 176.130 176.600 -0.005 0.000 1.009 980 K CA 0.816 57.101 56.287 -0.003 0.000 0.995 980 K CB 0.228 32.731 32.500 0.005 0.000 0.917 980 K HN 0.106 nan 8.250 nan 0.000 0.481 981 T N 4.709 119.261 114.554 -0.004 0.000 2.848 981 T HA 0.385 4.751 4.350 0.028 0.000 0.285 981 T C -1.164 173.540 174.700 0.006 0.000 0.995 981 T CA -0.981 61.114 62.100 -0.008 0.000 0.970 981 T CB 1.331 70.187 68.868 -0.020 0.000 0.976 981 T HN 0.386 nan 8.240 nan 0.000 0.441 982 K N 1.707 122.114 120.400 0.012 0.000 2.422 982 K HA 0.798 5.135 4.320 0.028 0.000 0.251 982 K C -0.895 175.731 176.600 0.042 0.000 0.933 982 K CA -0.790 55.519 56.287 0.037 0.000 0.798 982 K CB 2.520 35.054 32.500 0.057 0.000 1.238 982 K HN 0.563 nan 8.250 nan 0.000 0.428 983 S N 0.255 116.003 115.700 0.080 0.000 2.569 983 S HA 0.595 5.081 4.470 0.028 0.000 0.280 983 S C -1.462 173.241 174.600 0.173 0.000 1.111 983 S CA -0.757 57.518 58.200 0.125 0.000 0.887 983 S CB 2.494 65.768 63.200 0.123 0.000 1.095 983 S HN 0.335 nan 8.310 nan 0.000 0.476 984 V N 3.792 123.846 119.914 0.234 0.000 2.808 984 V HA 0.901 5.037 4.120 0.028 0.000 0.308 984 V C -1.939 174.282 176.094 0.213 0.000 1.099 984 V CA -0.741 61.636 62.300 0.128 0.000 0.920 984 V CB 1.432 33.315 31.823 0.100 0.000 1.014 984 V HN 0.850 nan 8.190 nan 0.000 0.425 985 F N 4.841 124.846 119.950 0.091 0.000 2.664 985 F HA 0.865 5.408 4.527 0.027 0.000 0.317 985 F C -1.829 174.047 175.800 0.126 0.000 1.108 985 F CA -1.631 56.429 58.000 0.100 0.000 0.957 985 F CB 1.730 40.751 39.000 0.036 0.000 1.365 985 F HN 0.500 nan 8.300 nan 0.000 0.475 986 F N 1.714 121.810 119.950 0.243 0.000 2.518 986 F HA 0.558 5.102 4.527 0.028 0.000 0.323 986 F C -1.123 174.779 175.800 0.170 0.000 1.129 986 F CA -0.756 57.300 58.000 0.092 0.000 0.920 986 F CB 1.666 40.657 39.000 -0.015 0.000 1.160 986 F HN 0.788 nan 8.300 nan 0.000 0.440 987 E N 6.547 126.417 120.200 -0.550 0.000 2.191 987 E HA 0.315 4.682 4.350 0.028 0.000 0.263 987 E C -1.673 174.413 176.600 -0.856 0.000 0.881 987 E CA -0.806 55.224 56.400 -0.616 0.000 0.757 987 E CB 1.187 30.755 29.700 -0.220 0.000 1.147 987 E HN 0.607 nan 8.360 nan 0.000 0.414 988 Y N 1.911 121.799 120.300 -0.687 0.000 2.376 988 Y HA 0.432 4.998 4.550 0.028 0.000 0.325 988 Y C 0.076 175.930 175.900 -0.076 0.000 1.199 988 Y CA -1.410 56.434 58.100 -0.427 0.000 1.206 988 Y CB 0.320 38.590 38.460 -0.316 0.000 1.229 988 Y HN 0.396 nan 8.280 nan 0.000 0.480 989 N N 2.030 120.862 118.700 0.220 0.000 2.492 989 N HA 0.160 4.917 4.740 0.028 0.000 0.262 989 N C 0.085 175.785 175.510 0.316 0.000 1.202 989 N CA -0.120 53.051 53.050 0.202 0.000 0.926 989 N CB 0.340 38.939 38.487 0.187 0.000 1.078 989 N HN 0.802 nan 8.380 nan 0.000 0.454 990 I N -0.308 120.408 120.570 0.242 0.000 3.762 990 I HA 0.387 4.574 4.170 0.028 0.000 0.333 990 I C 0.188 176.435 176.117 0.216 0.000 1.566 990 I CA -0.324 61.160 61.300 0.306 0.000 1.129 990 I CB 0.276 38.425 38.000 0.247 0.000 1.218 990 I HN 0.400 nan 8.210 nan 0.000 0.456 991 R N 0.773 121.388 120.500 0.192 0.000 2.572 991 R HA 0.289 4.645 4.340 0.028 0.000 0.370 991 R C -0.321 176.084 176.300 0.175 0.000 1.005 991 R CA -0.298 55.891 56.100 0.148 0.000 1.146 991 R CB 0.704 31.058 30.300 0.090 0.000 1.390 991 R HN 0.310 nan 8.270 nan 0.000 0.553 992 E N 1.175 121.510 120.200 0.224 0.000 2.331 992 E HA 0.010 4.376 4.350 0.028 0.000 0.272 992 E C 0.179 176.927 176.600 0.246 0.000 1.036 992 E CA -0.035 56.491 56.400 0.211 0.000 0.864 992 E CB 1.040 30.867 29.700 0.213 0.000 1.035 992 E HN 0.004 nan 8.360 nan 0.000 0.408 993 D N 0.921 121.442 120.400 0.202 0.000 2.123 993 D HA -0.083 4.574 4.640 0.028 0.000 0.196 993 D C 0.431 176.881 176.300 0.250 0.000 0.992 993 D CA 1.308 55.437 54.000 0.216 0.000 0.833 993 D CB 0.358 41.257 40.800 0.166 0.000 0.954 993 D HN 0.270 nan 8.370 nan 0.000 0.455 994 I N 0.322 121.022 120.570 0.217 0.000 2.497 994 I HA 0.097 4.283 4.170 0.028 0.000 0.284 994 I C -0.268 175.943 176.117 0.158 0.000 1.060 994 I CA -0.504 60.907 61.300 0.185 0.000 1.071 994 I CB 1.690 39.810 38.000 0.200 0.000 1.216 994 I HN -0.262 nan 8.210 nan 0.000 0.442 995 S N 4.796 120.603 115.700 0.178 0.000 2.525 995 S HA 0.257 4.744 4.470 0.028 0.000 0.278 995 S C 1.106 175.681 174.600 -0.042 0.000 1.234 995 S CA -0.454 57.829 58.200 0.137 0.000 1.058 995 S CB 0.918 64.282 63.200 0.273 0.000 0.983 995 S HN 0.708 nan 8.310 nan 0.000 0.495 996 E N 3.351 123.404 120.200 -0.245 0.000 2.489 996 E HA -0.023 4.344 4.350 0.028 0.000 0.193 996 E C 0.144 176.399 176.600 -0.574 0.000 1.057 996 E CA 0.561 56.666 56.400 -0.493 0.000 0.866 996 E CB -0.113 29.187 29.700 -0.665 0.000 0.916 996 E HN 0.874 nan 8.360 nan 0.000 0.500 997 Y N 0.710 120.969 120.300 -0.067 0.000 2.607 997 Y HA 0.318 4.885 4.550 0.027 0.000 0.276 997 Y C 1.085 176.953 175.900 -0.052 0.000 1.117 997 Y CA -0.825 57.169 58.100 -0.177 0.000 1.273 997 Y CB 0.580 38.634 38.460 -0.677 0.000 1.282 997 Y HN -0.135 nan 8.280 nan 0.000 0.514 998 I N 2.957 123.600 120.570 0.122 0.000 2.752 998 I HA -0.190 3.996 4.170 0.028 0.000 0.286 998 I C 0.947 177.311 176.117 0.411 0.000 1.180 998 I CA 0.987 62.447 61.300 0.266 0.000 1.404 998 I CB -0.190 38.070 38.000 0.434 0.000 1.389 998 I HN 0.531 nan 8.210 nan 0.000 0.549 999 N N 4.220 123.096 118.700 0.294 0.000 2.753 999 N HA -0.212 4.545 4.740 0.028 0.000 0.251 999 N C -0.291 175.392 175.510 0.289 0.000 1.097 999 N CA 0.575 53.735 53.050 0.184 0.000 0.786 999 N CB -0.156 38.366 38.487 0.057 0.000 1.137 999 N HN 0.609 nan 8.380 nan 0.000 0.566 1000 R N -0.373 120.351 120.500 0.373 0.000 2.637 1000 R HA 0.256 4.613 4.340 0.028 0.000 0.291 1000 R C -0.849 175.719 176.300 0.447 0.000 0.963 1000 R CA -0.615 55.739 56.100 0.424 0.000 0.901 1000 R CB 0.703 31.218 30.300 0.359 0.000 1.160 1000 R HN 0.100 nan 8.270 nan 0.000 0.457 1001 W N 3.862 125.426 121.300 0.441 0.000 2.322 1001 W HA 0.077 4.755 4.660 0.029 0.000 0.328 1001 W C 0.046 177.004 176.519 0.733 0.000 1.395 1001 W CA 0.349 57.984 57.345 0.483 0.000 1.267 1001 W CB 0.186 29.903 29.460 0.427 0.000 1.259 1001 W HN 0.443 nan 8.180 nan 0.000 0.560 1002 F N 2.468 122.915 119.950 0.828 0.000 2.626 1002 F HA 0.632 5.176 4.527 0.029 0.000 0.311 1002 F C -1.632 174.330 175.800 0.270 0.000 1.088 1002 F CA -2.506 55.824 58.000 0.549 0.000 0.949 1002 F CB 0.821 40.077 39.000 0.426 0.000 1.322 1002 F HN 0.101 nan 8.300 nan 0.000 0.461 1003 F N 2.916 122.718 119.950 -0.246 0.000 2.405 1003 F HA 0.724 5.268 4.527 0.027 0.000 0.355 1003 F C -1.090 174.413 175.800 -0.495 0.000 1.121 1003 F CA -1.341 56.139 58.000 -0.866 0.000 1.112 1003 F CB 1.176 39.342 39.000 -1.390 0.000 1.126 1003 F HN 0.416 nan 8.300 nan 0.000 0.481 1004 V N 4.813 124.083 119.914 -1.073 0.000 2.547 1004 V HA 0.640 4.776 4.120 0.028 0.000 0.299 1004 V C -0.460 174.783 176.094 -1.419 0.000 1.040 1004 V CA -0.530 61.111 62.300 -1.098 0.000 0.913 1004 V CB 1.984 33.138 31.823 -1.115 0.000 0.992 1004 V HN 0.842 nan 8.190 nan 0.000 0.449 1005 T N 5.225 119.193 114.554 -0.977 0.000 3.109 1005 T HA 0.609 4.975 4.350 0.028 0.000 0.311 1005 T C -0.779 173.602 174.700 -0.531 0.000 1.011 1005 T CA -0.195 61.425 62.100 -0.800 0.000 1.026 1005 T CB 1.128 69.517 68.868 -0.799 0.000 1.047 1005 T HN 0.382 nan 8.240 nan 0.000 0.448 1006 I N 3.346 123.557 120.570 -0.598 0.000 2.406 1006 I HA 0.535 4.722 4.170 0.028 0.000 0.290 1006 I C 0.438 176.124 176.117 -0.718 0.000 0.999 1006 I CA -0.640 60.242 61.300 -0.697 0.000 1.124 1006 I CB 2.064 39.385 38.000 -1.132 0.000 1.289 1006 I HN 0.685 nan 8.210 nan 0.000 0.441 1007 T N 2.166 116.410 114.554 -0.517 0.000 2.885 1007 T HA 0.552 4.919 4.350 0.028 0.000 0.285 1007 T C -0.664 173.808 174.700 -0.381 0.000 1.019 1007 T CA -0.928 60.907 62.100 -0.441 0.000 1.010 1007 T CB 1.634 70.352 68.868 -0.249 0.000 1.022 1007 T HN 0.465 nan 8.240 nan 0.000 0.466 1008 N N 2.582 121.066 118.700 -0.361 0.000 2.352 1008 N HA 0.421 5.177 4.740 0.028 0.000 0.291 1008 N C -1.086 174.417 175.510 -0.012 0.000 1.040 1008 N CA -0.626 52.328 53.050 -0.161 0.000 0.864 1008 N CB 2.522 40.910 38.487 -0.165 0.000 1.440 1008 N HN 0.744 nan 8.380 nan 0.000 0.483 1009 N N 0.192 118.940 118.700 0.079 0.000 2.966 1009 N HA 0.357 5.113 4.740 0.028 0.000 0.314 1009 N C 0.963 176.639 175.510 0.276 0.000 1.397 1009 N CA -0.640 52.540 53.050 0.217 0.000 0.776 1009 N CB 0.912 39.522 38.487 0.205 0.000 1.576 1009 N HN 0.251 nan 8.380 nan 0.000 0.592 1010 L N -0.720 120.805 121.223 0.504 0.000 2.275 1010 L HA 0.236 4.593 4.340 0.028 0.000 0.215 1010 L C 1.023 178.007 176.870 0.190 0.000 1.119 1010 L CA 1.409 56.483 54.840 0.390 0.000 0.790 1010 L CB -1.280 41.027 42.059 0.414 0.000 0.919 1010 L HN 0.441 nan 8.230 nan 0.000 0.443 1011 N N -0.194 118.591 118.700 0.142 0.000 2.420 1011 N HA 0.067 4.823 4.740 0.028 0.000 0.185 1011 N C 0.314 175.864 175.510 0.067 0.000 1.033 1011 N CA 0.579 53.678 53.050 0.082 0.000 0.879 1011 N CB 0.037 38.554 38.487 0.050 0.000 1.071 1011 N HN 0.462 nan 8.380 nan 0.000 0.437 1012 N N -0.108 118.627 118.700 0.060 0.000 2.453 1012 N HA 0.539 5.295 4.740 0.028 0.000 0.290 1012 N C -1.216 174.312 175.510 0.031 0.000 1.250 1012 N CA -0.447 52.623 53.050 0.034 0.000 0.815 1012 N CB 2.345 40.831 38.487 -0.002 0.000 1.381 1012 N HN -0.002 nan 8.380 nan 0.000 0.510 1013 A N 0.808 123.637 122.820 0.016 0.000 2.311 1013 A HA 0.538 4.875 4.320 0.028 0.000 0.306 1013 A C -0.608 176.926 177.584 -0.085 0.000 1.189 1013 A CA -0.613 51.425 52.037 0.001 0.000 0.791 1013 A CB 0.713 19.803 19.000 0.151 0.000 1.172 1013 A HN 0.510 nan 8.150 nan 0.000 0.481 1014 K N 2.103 122.404 120.400 -0.166 0.000 2.316 1014 K HA 0.679 5.016 4.320 0.028 0.000 0.251 1014 K C -1.277 175.152 176.600 -0.284 0.000 0.934 1014 K CA -0.411 55.739 56.287 -0.229 0.000 0.802 1014 K CB 2.465 34.840 32.500 -0.209 0.000 1.171 1014 K HN 0.646 nan 8.250 nan 0.000 0.426 1015 I N 3.197 123.560 120.570 -0.345 0.000 2.389 1015 I HA 0.290 4.476 4.170 0.028 0.000 0.288 1015 I C -1.087 174.761 176.117 -0.449 0.000 0.999 1015 I CA -0.890 60.217 61.300 -0.322 0.000 1.129 1015 I CB 0.828 38.697 38.000 -0.218 0.000 1.288 1015 I HN 0.454 nan 8.210 nan 0.000 0.444 1016 Y N 6.223 126.255 120.300 -0.446 0.000 2.377 1016 Y HA 0.524 5.091 4.550 0.029 0.000 0.339 1016 Y C -0.021 175.528 175.900 -0.584 0.000 1.011 1016 Y CA -0.861 56.961 58.100 -0.464 0.000 1.093 1016 Y CB 1.677 39.880 38.460 -0.428 0.000 1.201 1016 Y HN 0.245 nan 8.280 nan 0.000 0.455 1017 I N 3.752 124.043 120.570 -0.464 0.000 2.418 1017 I HA 0.189 4.376 4.170 0.028 0.000 0.287 1017 I C -0.261 175.605 176.117 -0.419 0.000 1.008 1017 I CA -1.002 59.965 61.300 -0.555 0.000 1.104 1017 I CB 1.305 38.717 38.000 -0.980 0.000 1.264 1017 I HN 0.733 nan 8.210 nan 0.000 0.438 1018 N N 5.225 123.656 118.700 -0.450 0.000 2.710 1018 N HA -0.221 4.536 4.740 0.028 0.000 0.249 1018 N C 1.163 176.128 175.510 -0.909 0.000 1.059 1018 N CA 1.328 53.845 53.050 -0.889 0.000 0.720 1018 N CB -0.925 37.204 38.487 -0.597 0.000 0.983 1018 N HN 1.139 nan 8.380 nan 0.000 0.544 1019 G N -1.198 107.337 108.800 -0.441 0.000 2.253 1019 G HA2 -0.375 3.602 3.960 0.028 0.000 0.251 1019 G HA3 -0.375 3.602 3.960 0.028 0.000 0.251 1019 G C 0.047 174.927 174.900 -0.033 0.000 0.998 1019 G CA 0.764 45.756 45.100 -0.180 0.000 0.621 1019 G HN 0.678 nan 8.290 nan 0.000 0.524 1020 K N 0.640 120.979 120.400 -0.102 0.000 2.183 1020 K HA 0.635 4.971 4.320 0.028 0.000 0.274 1020 K C 0.258 176.757 176.600 -0.169 0.000 1.009 1020 K CA -1.039 55.203 56.287 -0.075 0.000 0.888 1020 K CB 0.861 33.294 32.500 -0.111 0.000 1.078 1020 K HN 0.217 nan 8.250 nan 0.000 0.459 1021 L N 4.392 125.457 121.223 -0.264 0.000 2.462 1021 L HA 0.052 4.408 4.340 0.028 0.000 0.272 1021 L C 0.482 177.096 176.870 -0.428 0.000 1.166 1021 L CA 0.969 55.399 54.840 -0.684 0.000 0.880 1021 L CB 0.605 42.277 42.059 -0.645 0.000 1.142 1021 L HN 0.812 nan 8.230 nan 0.000 0.473 1022 E N 2.155 122.084 120.200 -0.452 0.000 2.364 1022 E HA 0.249 4.616 4.350 0.028 0.000 0.203 1022 E C -0.288 176.186 176.600 -0.209 0.000 0.888 1022 E CA 0.291 56.529 56.400 -0.269 0.000 0.989 1022 E CB 0.593 30.108 29.700 -0.308 0.000 0.985 1022 E HN 0.679 nan 8.360 nan 0.000 0.499 1023 S N 0.783 116.314 115.700 -0.281 0.000 2.541 1023 S HA 0.433 4.920 4.470 0.028 0.000 0.271 1023 S C -0.864 173.581 174.600 -0.259 0.000 1.133 1023 S CA -0.940 57.108 58.200 -0.254 0.000 0.876 1023 S CB 2.401 65.438 63.200 -0.271 0.000 1.105 1023 S HN 0.053 nan 8.310 nan 0.000 0.470 1024 N N 0.802 119.378 118.700 -0.208 0.000 2.235 1024 N HA 0.564 5.320 4.740 0.028 0.000 0.293 1024 N C -1.883 173.562 175.510 -0.108 0.000 1.083 1024 N CA -0.226 52.729 53.050 -0.158 0.000 0.801 1024 N CB 2.262 40.662 38.487 -0.145 0.000 1.559 1024 N HN 0.573 nan 8.380 nan 0.000 0.472 1025 T N 1.326 115.843 114.554 -0.061 0.000 2.928 1025 T HA 0.144 4.511 4.350 0.028 0.000 0.296 1025 T C -1.138 173.565 174.700 0.006 0.000 1.000 1025 T CA -0.666 61.422 62.100 -0.020 0.000 0.989 1025 T CB 1.371 70.249 68.868 0.017 0.000 1.005 1025 T HN 0.408 nan 8.240 nan 0.000 0.442 1026 D N 3.519 123.923 120.400 0.007 0.000 2.343 1026 D HA 0.119 4.775 4.640 0.028 0.000 0.255 1026 D C 0.539 176.862 176.300 0.038 0.000 1.187 1026 D CA -0.289 53.722 54.000 0.019 0.000 0.875 1026 D CB 0.562 41.369 40.800 0.011 0.000 1.136 1026 D HN 0.667 nan 8.370 nan 0.000 0.469 1027 I N 0.925 121.528 120.570 0.054 0.000 3.283 1027 I HA 0.219 4.406 4.170 0.028 0.000 0.342 1027 I C 1.089 177.249 176.117 0.070 0.000 1.510 1027 I CA -0.828 60.513 61.300 0.069 0.000 1.006 1027 I CB 0.493 38.551 38.000 0.098 0.000 1.596 1027 I HN 0.040 nan 8.210 nan 0.000 0.509 1028 K N 1.090 121.524 120.400 0.056 0.000 2.097 1028 K HA -0.089 4.248 4.320 0.028 0.000 0.205 1028 K C 0.981 177.611 176.600 0.051 0.000 1.050 1028 K CA 1.569 57.889 56.287 0.056 0.000 0.938 1028 K CB 0.054 32.578 32.500 0.041 0.000 0.718 1028 K HN 0.432 nan 8.250 nan 0.000 0.442 1029 D N 0.798 121.223 120.400 0.042 0.000 2.178 1029 D HA -0.080 4.576 4.640 0.028 0.000 0.202 1029 D C 0.719 177.042 176.300 0.039 0.000 0.974 1029 D CA 0.603 54.625 54.000 0.036 0.000 0.841 1029 D CB -0.032 40.785 40.800 0.029 0.000 0.953 1029 D HN 0.037 nan 8.370 nan 0.000 0.478 1030 I N 2.661 123.260 120.570 0.048 0.000 2.741 1030 I HA -0.098 4.088 4.170 0.028 0.000 0.288 1030 I C 1.392 177.539 176.117 0.049 0.000 1.192 1030 I CA 0.351 61.681 61.300 0.049 0.000 1.426 1030 I CB 0.139 38.178 38.000 0.065 0.000 1.367 1030 I HN -0.118 nan 8.210 nan 0.000 0.563 1031 R N 4.054 124.575 120.500 0.035 0.000 2.271 1031 R HA 0.192 4.549 4.340 0.028 0.000 0.175 1031 R C 0.004 176.318 176.300 0.022 0.000 1.055 1031 R CA -0.787 55.331 56.100 0.031 0.000 1.336 1031 R CB -0.361 29.950 30.300 0.019 0.000 1.733 1031 R HN 0.448 nan 8.270 nan 0.000 0.565 1032 E N 0.800 121.003 120.200 0.006 0.000 2.465 1032 E HA 0.062 4.429 4.350 0.028 0.000 0.260 1032 E C -1.142 175.441 176.600 -0.029 0.000 0.980 1032 E CA 0.328 56.719 56.400 -0.016 0.000 0.927 1032 E CB 0.359 30.045 29.700 -0.024 0.000 0.934 1032 E HN 0.166 nan 8.360 nan 0.000 0.459 1033 V N 7.157 127.039 119.914 -0.053 0.000 2.380 1033 V HA 0.253 4.390 4.120 0.028 0.000 0.286 1033 V C -0.061 175.949 176.094 -0.139 0.000 1.015 1033 V CA -0.640 61.624 62.300 -0.059 0.000 0.834 1033 V CB 1.049 32.872 31.823 0.001 0.000 1.009 1033 V HN 0.643 nan 8.190 nan 0.000 0.428 1034 I N 4.103 124.598 120.570 -0.125 0.000 2.494 1034 I HA 0.213 4.399 4.170 0.028 0.000 0.289 1034 I C 1.217 177.224 176.117 -0.183 0.000 1.106 1034 I CA 0.390 61.592 61.300 -0.164 0.000 1.369 1034 I CB 0.886 38.819 38.000 -0.112 0.000 1.410 1034 I HN 0.699 nan 8.210 nan 0.000 0.523 1035 A N 5.332 127.951 122.820 -0.335 0.000 2.431 1035 A HA 0.088 4.424 4.320 0.028 0.000 0.239 1035 A C 1.109 178.734 177.584 0.068 0.000 1.230 1035 A CA -0.227 51.681 52.037 -0.216 0.000 0.928 1035 A CB -0.218 18.330 19.000 -0.754 0.000 1.006 1035 A HN 0.787 nan 8.150 nan 0.000 0.520 1036 N N 0.247 118.957 118.700 0.017 0.000 2.273 1036 N HA 0.184 4.941 4.740 0.028 0.000 0.231 1036 N C 0.612 176.184 175.510 0.103 0.000 1.134 1036 N CA 0.432 53.614 53.050 0.219 0.000 0.856 1036 N CB -0.299 38.344 38.487 0.261 0.000 1.068 1036 N HN 0.138 nan 8.380 nan 0.000 0.510 1037 G N -0.039 108.768 108.800 0.012 0.000 2.570 1037 G HA2 0.140 4.116 3.960 0.028 0.000 0.276 1037 G HA3 0.140 4.116 3.960 0.028 0.000 0.276 1037 G C -0.259 174.629 174.900 -0.021 0.000 1.346 1037 G CA -0.549 44.531 45.100 -0.032 0.000 1.034 1037 G HN 0.255 nan 8.290 nan 0.000 0.512 1038 E N -0.866 119.310 120.200 -0.041 0.000 2.392 1038 E HA 0.142 4.509 4.350 0.028 0.000 0.264 1038 E C -0.318 176.239 176.600 -0.072 0.000 1.024 1038 E CA 0.367 56.755 56.400 -0.019 0.000 0.903 1038 E CB 1.264 30.955 29.700 -0.015 0.000 0.963 1038 E HN 0.180 nan 8.360 nan 0.000 0.432 1039 I N 4.023 124.591 120.570 -0.003 0.000 2.339 1039 I HA 0.216 4.402 4.170 0.028 0.000 0.290 1039 I C -0.316 175.807 176.117 0.009 0.000 0.994 1039 I CA -0.652 60.610 61.300 -0.062 0.000 1.191 1039 I CB 0.859 38.933 38.000 0.123 0.000 1.343 1039 I HN 0.228 nan 8.210 nan 0.000 0.458 1040 I N 6.763 127.265 120.570 -0.114 0.000 2.330 1040 I HA 0.294 4.480 4.170 0.028 0.000 0.289 1040 I C -0.520 175.554 176.117 -0.073 0.000 1.001 1040 I CA -0.439 60.855 61.300 -0.010 0.000 1.193 1040 I CB 0.914 38.885 38.000 -0.049 0.000 1.345 1040 I HN 0.320 nan 8.210 nan 0.000 0.461 1041 F N 6.314 126.235 119.950 -0.047 0.000 2.371 1041 F HA 0.529 5.074 4.527 0.030 0.000 0.363 1041 F C 0.494 176.306 175.800 0.021 0.000 1.122 1041 F CA -0.406 57.582 58.000 -0.021 0.000 1.129 1041 F CB 0.765 39.736 39.000 -0.048 0.000 1.173 1041 F HN 0.360 nan 8.300 nan 0.000 0.489 1042 K N 3.981 124.467 120.400 0.142 0.000 2.600 1042 K HA 0.306 4.643 4.320 0.028 0.000 0.262 1042 K C -1.788 174.871 176.600 0.098 0.000 0.935 1042 K CA -0.672 55.683 56.287 0.113 0.000 0.866 1042 K CB 1.294 33.832 32.500 0.063 0.000 1.354 1042 K HN 0.518 nan 8.250 nan 0.000 0.419 1043 L N 3.141 124.430 121.223 0.109 0.000 2.477 1043 L HA 0.184 4.540 4.340 0.028 0.000 0.272 1043 L C -0.371 176.549 176.870 0.083 0.000 1.157 1043 L CA 0.297 55.218 54.840 0.136 0.000 0.889 1043 L CB 0.346 42.442 42.059 0.062 0.000 1.158 1043 L HN 0.631 nan 8.230 nan 0.000 0.473 1044 D N 2.664 123.136 120.400 0.121 0.000 2.476 1044 D HA 0.667 5.323 4.640 0.028 0.000 0.251 1044 D C -0.150 176.201 176.300 0.085 0.000 1.291 1044 D CA 0.090 54.126 54.000 0.061 0.000 0.939 1044 D CB 1.446 42.260 40.800 0.023 0.000 1.221 1044 D HN 0.689 nan 8.370 nan 0.000 0.567 1045 G N 2.372 111.202 108.800 0.049 0.000 2.351 1045 G HA2 0.084 4.061 3.960 0.028 0.000 0.279 1045 G HA3 0.084 4.061 3.960 0.028 0.000 0.279 1045 G C -1.294 173.609 174.900 0.005 0.000 1.297 1045 G CA -0.931 44.199 45.100 0.051 0.000 0.886 1045 G HN 0.285 nan 8.290 nan 0.000 0.493 1046 D N 1.082 121.487 120.400 0.007 0.000 2.619 1046 D HA 0.418 5.074 4.640 0.028 0.000 0.224 1046 D C 0.977 177.246 176.300 -0.052 0.000 1.133 1046 D CA -0.063 53.928 54.000 -0.015 0.000 1.017 1046 D CB -0.336 40.467 40.800 0.005 0.000 1.077 1046 D HN 0.597 nan 8.370 nan 0.000 0.503 1047 I N -2.572 117.930 120.570 -0.113 0.000 2.664 1047 I HA 0.463 4.650 4.170 0.028 0.000 0.308 1047 I C 0.257 176.297 176.117 -0.127 0.000 0.984 1047 I CA -0.944 60.233 61.300 -0.205 0.000 1.213 1047 I CB 1.468 39.239 38.000 -0.382 0.000 1.379 1047 I HN -0.117 nan 8.210 nan 0.000 0.501 1048 D N 3.334 123.660 120.400 -0.122 0.000 2.372 1048 D HA 0.053 4.709 4.640 0.028 0.000 0.243 1048 D C 1.104 177.365 176.300 -0.064 0.000 1.121 1048 D CA -0.302 53.658 54.000 -0.065 0.000 0.898 1048 D CB 1.275 42.049 40.800 -0.043 0.000 1.202 1048 D HN 0.761 nan 8.370 nan 0.000 0.428 1049 R N 0.632 121.113 120.500 -0.033 0.000 2.285 1049 R HA -0.078 4.278 4.340 0.028 0.000 0.213 1049 R C 1.336 177.641 176.300 0.008 0.000 1.068 1049 R CA 1.200 57.288 56.100 -0.019 0.000 1.004 1049 R CB -0.545 29.749 30.300 -0.009 0.000 0.873 1049 R HN 0.347 nan 8.270 nan 0.000 0.467 1050 T N -3.145 111.418 114.554 0.016 0.000 3.065 1050 T HA -0.030 4.337 4.350 0.028 0.000 0.252 1050 T C 0.701 175.459 174.700 0.097 0.000 1.099 1050 T CA -0.316 61.829 62.100 0.074 0.000 1.063 1050 T CB 0.133 69.039 68.868 0.062 0.000 0.948 1050 T HN 0.142 nan 8.240 nan 0.000 0.506 1051 Q N 1.896 121.679 119.800 -0.027 0.000 2.300 1051 Q HA 0.449 4.805 4.340 0.028 0.000 0.280 1051 Q C -0.630 175.358 176.000 -0.020 0.000 1.033 1051 Q CA -0.144 55.576 55.803 -0.138 0.000 0.903 1051 Q CB -0.097 28.474 28.738 -0.278 0.000 1.195 1051 Q HN 0.618 nan 8.270 nan 0.000 0.386 1052 F N 1.716 121.631 119.950 -0.058 0.000 2.745 1052 F HA 0.789 5.333 4.527 0.028 0.000 0.316 1052 F C -1.511 174.275 175.800 -0.025 0.000 1.155 1052 F CA -1.357 56.596 58.000 -0.078 0.000 0.937 1052 F CB 1.198 40.116 39.000 -0.136 0.000 1.361 1052 F HN 0.279 nan 8.300 nan 0.000 0.472 1053 I N 0.996 121.689 120.570 0.204 0.000 2.692 1053 I HA 0.222 4.409 4.170 0.028 0.000 0.293 1053 I C -1.834 174.325 176.117 0.071 0.000 1.200 1053 I CA -0.929 60.459 61.300 0.146 0.000 1.036 1053 I CB 1.964 40.056 38.000 0.153 0.000 1.258 1053 I HN 0.836 nan 8.210 nan 0.000 0.421 1054 W N 6.214 127.534 121.300 0.033 0.000 2.551 1054 W HA 0.745 5.420 4.660 0.026 0.000 0.330 1054 W C 0.098 176.549 176.519 -0.114 0.000 1.063 1054 W CA -0.462 56.841 57.345 -0.070 0.000 1.222 1054 W CB 1.837 31.160 29.460 -0.227 0.000 1.349 1054 W HN 0.307 nan 8.180 nan 0.000 0.536 1055 M N 3.152 122.814 119.600 0.103 0.000 2.575 1055 M HA 0.496 4.992 4.480 0.028 0.000 0.284 1055 M C -1.377 174.939 176.300 0.026 0.000 1.253 1055 M CA -0.728 54.580 55.300 0.013 0.000 0.861 1055 M CB 2.357 34.650 32.600 -0.512 0.000 1.733 1055 M HN 0.411 nan 8.290 nan 0.000 0.462 1056 K N 1.861 122.474 120.400 0.355 0.000 2.562 1056 K HA 0.333 4.670 4.320 0.028 0.000 0.267 1056 K C -1.508 175.410 176.600 0.531 0.000 0.938 1056 K CA -0.510 55.904 56.287 0.212 0.000 0.840 1056 K CB 1.368 33.676 32.500 -0.319 0.000 1.390 1056 K HN 0.835 nan 8.250 nan 0.000 0.428 1057 Y N 1.116 121.687 120.300 0.451 0.000 3.168 1057 Y HA -0.288 4.278 4.550 0.026 0.000 0.207 1057 Y C -0.567 175.686 175.900 0.587 0.000 1.280 1057 Y CA -0.062 58.318 58.100 0.467 0.000 1.235 1057 Y CB -1.221 37.501 38.460 0.436 0.000 1.370 1057 Y HN 0.473 nan 8.280 nan 0.000 0.537 1058 F N 2.503 122.859 119.950 0.675 0.000 2.467 1058 F HA 0.427 4.969 4.527 0.025 0.000 0.362 1058 F C 0.494 176.581 175.800 0.479 0.000 1.090 1058 F CA 0.354 58.742 58.000 0.646 0.000 1.202 1058 F CB 0.583 39.992 39.000 0.682 0.000 1.113 1058 F HN 0.087 nan 8.300 nan 0.000 0.541 1059 S N 5.998 121.579 115.700 -0.197 0.000 2.570 1059 S HA 0.785 5.272 4.470 0.028 0.000 0.270 1059 S C -1.124 173.335 174.600 -0.234 0.000 1.149 1059 S CA -0.993 57.148 58.200 -0.098 0.000 0.837 1059 S CB 1.691 64.888 63.200 -0.007 0.000 1.124 1059 S HN 0.565 nan 8.310 nan 0.000 0.465 1060 I N 1.082 121.572 120.570 -0.134 0.000 2.647 1060 I HA 0.570 4.757 4.170 0.028 0.000 0.295 1060 I C -1.568 174.462 176.117 -0.145 0.000 1.078 1060 I CA -0.706 60.578 61.300 -0.028 0.000 1.048 1060 I CB 1.890 39.944 38.000 0.091 0.000 1.239 1060 I HN 0.565 nan 8.210 nan 0.000 0.421 1061 F N 2.950 122.858 119.950 -0.071 0.000 2.495 1061 F HA 0.298 4.843 4.527 0.031 0.000 0.327 1061 F C 0.744 176.514 175.800 -0.050 0.000 1.103 1061 F CA -0.959 56.999 58.000 -0.071 0.000 0.949 1061 F CB 1.305 40.259 39.000 -0.075 0.000 1.142 1061 F HN 0.472 nan 8.300 nan 0.000 0.457 1062 N N 0.366 119.108 118.700 0.069 0.000 2.484 1062 N HA 0.111 4.868 4.740 0.028 0.000 0.245 1062 N C -0.350 175.262 175.510 0.170 0.000 1.184 1062 N CA 0.094 53.171 53.050 0.044 0.000 0.884 1062 N CB 0.445 38.867 38.487 -0.109 0.000 1.182 1062 N HN 0.600 nan 8.380 nan 0.000 0.493 1063 T N -1.469 113.196 114.554 0.185 0.000 2.769 1063 T HA 0.185 4.552 4.350 0.028 0.000 0.306 1063 T C -2.021 172.705 174.700 0.042 0.000 1.400 1063 T CA -0.803 61.372 62.100 0.125 0.000 1.007 1063 T CB 1.399 70.328 68.868 0.101 0.000 1.392 1063 T HN 0.226 nan 8.240 nan 0.000 0.500 1064 E N 2.430 122.637 120.200 0.012 0.000 2.152 1064 E HA 0.386 4.752 4.350 0.028 0.000 0.285 1064 E C -0.474 176.033 176.600 -0.156 0.000 1.043 1064 E CA -0.386 55.968 56.400 -0.075 0.000 0.839 1064 E CB 0.401 30.096 29.700 -0.007 0.000 1.069 1064 E HN 0.471 nan 8.360 nan 0.000 0.399 1065 L N 3.683 124.729 121.223 -0.294 0.000 2.397 1065 L HA 0.112 4.468 4.340 0.028 0.000 0.271 1065 L C 0.744 177.417 176.870 -0.328 0.000 1.148 1065 L CA -0.301 54.307 54.840 -0.386 0.000 0.825 1065 L CB 1.074 42.776 42.059 -0.594 0.000 1.117 1065 L HN 0.612 nan 8.230 nan 0.000 0.456 1066 S N 1.374 116.911 115.700 -0.271 0.000 2.632 1066 S HA 0.062 4.549 4.470 0.028 0.000 0.267 1066 S C 0.665 175.084 174.600 -0.302 0.000 1.276 1066 S CA -0.667 57.405 58.200 -0.213 0.000 0.998 1066 S CB 1.561 64.680 63.200 -0.136 0.000 0.953 1066 S HN 0.679 nan 8.310 nan 0.000 0.547 1067 Q N 0.900 120.571 119.800 -0.216 0.000 2.181 1067 Q HA -0.141 4.216 4.340 0.028 0.000 0.205 1067 Q C 2.053 177.950 176.000 -0.171 0.000 0.980 1067 Q CA 2.108 57.784 55.803 -0.211 0.000 0.862 1067 Q CB -0.730 28.025 28.738 0.028 0.000 0.905 1067 Q HN 0.832 nan 8.270 nan 0.000 0.429 1068 S N 0.296 115.922 115.700 -0.124 0.000 2.387 1068 S HA -0.064 4.423 4.470 0.028 0.000 0.226 1068 S C 1.561 176.094 174.600 -0.110 0.000 1.026 1068 S CA 0.964 59.110 58.200 -0.090 0.000 0.972 1068 S CB -0.051 63.109 63.200 -0.067 0.000 0.814 1068 S HN 0.448 nan 8.310 nan 0.000 0.477 1069 N N 1.532 120.135 118.700 -0.161 0.000 2.120 1069 N HA -0.003 4.754 4.740 0.028 0.000 0.188 1069 N C 1.760 177.167 175.510 -0.172 0.000 1.024 1069 N CA 1.414 54.360 53.050 -0.174 0.000 0.852 1069 N CB -0.469 37.867 38.487 -0.252 0.000 1.003 1069 N HN 0.475 nan 8.380 nan 0.000 0.424 1070 I N 0.963 121.389 120.570 -0.242 0.000 2.202 1070 I HA -0.212 3.975 4.170 0.028 0.000 0.242 1070 I C 2.430 178.551 176.117 0.006 0.000 1.091 1070 I CA 0.987 62.175 61.300 -0.187 0.000 1.368 1070 I CB -0.177 37.523 38.000 -0.500 0.000 1.058 1070 I HN 0.030 nan 8.210 nan 0.000 0.410 1071 E N 1.230 121.415 120.200 -0.025 0.000 2.085 1071 E HA -0.252 4.115 4.350 0.028 0.000 0.194 1071 E C 2.071 178.729 176.600 0.096 0.000 0.994 1071 E CA 1.477 57.925 56.400 0.081 0.000 0.801 1071 E CB -0.093 29.631 29.700 0.041 0.000 0.743 1071 E HN 0.248 nan 8.360 nan 0.000 0.453 1072 E N 0.193 120.403 120.200 0.018 0.000 2.072 1072 E HA -0.166 4.200 4.350 0.028 0.000 0.191 1072 E C 2.194 178.790 176.600 -0.005 0.000 0.985 1072 E CA 0.865 57.262 56.400 -0.004 0.000 0.801 1072 E CB -0.212 29.469 29.700 -0.032 0.000 0.750 1072 E HN 0.227 nan 8.360 nan 0.000 0.452 1073 R N -0.489 120.015 120.500 0.006 0.000 2.096 1073 R HA -0.185 4.172 4.340 0.028 0.000 0.235 1073 R C 2.387 178.619 176.300 -0.113 0.000 1.127 1073 R CA 1.229 57.323 56.100 -0.010 0.000 0.968 1073 R CB -0.356 29.989 30.300 0.075 0.000 0.861 1073 R HN 0.149 nan 8.270 nan 0.000 0.440 1074 Y N 1.434 121.582 120.300 -0.254 0.000 2.145 1074 Y HA -0.198 4.368 4.550 0.027 0.000 0.286 1074 Y C 1.610 177.480 175.900 -0.050 0.000 1.145 1074 Y CA 1.777 59.664 58.100 -0.355 0.000 1.148 1074 Y CB -0.097 38.311 38.460 -0.086 0.000 0.981 1074 Y HN -0.051 nan 8.280 nan 0.000 0.507 1075 K N -0.082 120.224 120.400 -0.157 0.000 2.097 1075 K HA -0.112 4.224 4.320 0.028 0.000 0.205 1075 K C 2.152 178.680 176.600 -0.119 0.000 1.050 1075 K CA 1.768 57.928 56.287 -0.213 0.000 0.938 1075 K CB -0.247 32.195 32.500 -0.097 0.000 0.718 1075 K HN 0.360 nan 8.250 nan 0.000 0.442 1076 I N 1.358 121.880 120.570 -0.080 0.000 2.252 1076 I HA -0.281 3.905 4.170 0.028 0.000 0.245 1076 I C 2.109 178.202 176.117 -0.039 0.000 1.102 1076 I CA 1.405 62.670 61.300 -0.059 0.000 1.385 1076 I CB -0.143 37.819 38.000 -0.065 0.000 1.064 1076 I HN 0.205 nan 8.210 nan 0.000 0.414 1077 Q N -0.252 119.529 119.800 -0.032 0.000 2.472 1077 Q HA -0.014 4.342 4.340 0.028 0.000 0.208 1077 Q C 2.071 177.982 176.000 -0.148 0.000 0.958 1077 Q CA 0.650 56.452 55.803 -0.003 0.000 0.932 1077 Q CB 0.210 29.075 28.738 0.212 0.000 1.007 1077 Q HN 0.389 nan 8.270 nan 0.000 0.508 1078 S N -0.175 115.456 115.700 -0.116 0.000 2.478 1078 S HA -0.022 4.464 4.470 0.028 0.000 0.222 1078 S C 0.191 174.667 174.600 -0.206 0.000 1.008 1078 S CA -0.230 57.847 58.200 -0.206 0.000 0.928 1078 S CB -0.025 63.036 63.200 -0.231 0.000 0.781 1078 S HN 0.376 nan 8.310 nan 0.000 0.518 1079 Y N 3.968 124.131 120.300 -0.228 0.000 2.610 1079 Y HA 0.285 4.851 4.550 0.026 0.000 0.332 1079 Y C 0.315 176.029 175.900 -0.309 0.000 1.201 1079 Y CA -0.071 57.889 58.100 -0.234 0.000 1.465 1079 Y CB 0.255 38.601 38.460 -0.189 0.000 1.283 1079 Y HN 0.159 nan 8.280 nan 0.000 0.563 1080 S N 3.508 118.240 115.700 -1.612 0.000 2.552 1080 S HA 0.274 4.761 4.470 0.028 0.000 0.272 1080 S C -0.293 173.511 174.600 -1.328 0.000 1.150 1080 S CA -1.010 56.333 58.200 -1.430 0.000 0.849 1080 S CB 1.523 63.788 63.200 -1.558 0.000 1.113 1080 S HN 0.633 nan 8.310 nan 0.000 0.458 1081 E N 0.133 119.795 120.200 -0.896 0.000 2.358 1081 E HA 0.077 4.443 4.350 0.028 0.000 0.195 1081 E C 0.221 176.615 176.600 -0.344 0.000 1.010 1081 E CA 0.876 57.004 56.400 -0.453 0.000 0.856 1081 E CB -0.206 29.377 29.700 -0.197 0.000 0.795 1081 E HN 0.770 nan 8.360 nan 0.000 0.504 1082 Y N -0.760 119.393 120.300 -0.246 0.000 2.488 1082 Y HA 0.578 5.143 4.550 0.026 0.000 0.325 1082 Y C 0.270 176.041 175.900 -0.216 0.000 1.204 1082 Y CA -1.592 56.384 58.100 -0.207 0.000 1.229 1082 Y CB 0.124 38.475 38.460 -0.182 0.000 1.274 1082 Y HN -0.329 nan 8.280 nan 0.000 0.493 1083 L N 2.132 123.406 121.223 0.084 0.000 2.454 1083 L HA 0.456 4.813 4.340 0.028 0.000 0.256 1083 L C 0.187 177.112 176.870 0.092 0.000 1.136 1083 L CA -0.692 54.161 54.840 0.023 0.000 0.804 1083 L CB 0.606 42.637 42.059 -0.046 0.000 1.181 1083 L HN 0.666 nan 8.230 nan 0.000 0.469 1084 K N -0.148 120.275 120.400 0.038 0.000 2.306 1084 K HA 0.440 4.776 4.320 0.028 0.000 0.236 1084 K C -1.341 175.209 176.600 -0.083 0.000 1.013 1084 K CA -0.934 55.330 56.287 -0.040 0.000 0.857 1084 K CB 1.627 34.069 32.500 -0.098 0.000 1.214 1084 K HN 0.628 nan 8.250 nan 0.000 0.449 1085 D N -0.723 119.592 120.400 -0.142 0.000 2.549 1085 D HA 0.048 4.705 4.640 0.028 0.000 0.270 1085 D C 0.827 177.037 176.300 -0.150 0.000 1.181 1085 D CA -0.638 53.293 54.000 -0.115 0.000 1.070 1085 D CB 0.119 40.880 40.800 -0.065 0.000 1.154 1085 D HN 0.424 nan 8.370 nan 0.000 0.602 1086 F N -0.477 119.261 119.950 -0.354 0.000 2.154 1086 F HA -0.098 4.445 4.527 0.028 0.000 0.301 1086 F C 1.402 176.932 175.800 -0.449 0.000 1.087 1086 F CA 1.368 59.061 58.000 -0.512 0.000 1.274 1086 F CB -0.111 38.331 39.000 -0.930 0.000 1.009 1086 F HN 0.400 nan 8.300 nan 0.000 0.485 1087 W N -0.487 120.840 121.300 0.045 0.000 2.905 1087 W HA 0.273 4.949 4.660 0.027 0.000 0.251 1087 W C 1.883 178.318 176.519 -0.141 0.000 1.305 1087 W CA 0.534 57.872 57.345 -0.012 0.000 1.465 1087 W CB -0.274 29.237 29.460 0.086 0.000 1.122 1087 W HN 0.214 nan 8.180 nan 0.000 0.659 1088 G N -0.344 108.216 108.800 -0.400 0.000 2.179 1088 G HA2 -0.256 3.720 3.960 0.028 0.000 0.220 1088 G HA3 -0.256 3.720 3.960 0.028 0.000 0.220 1088 G C 0.182 174.929 174.900 -0.255 0.000 0.990 1088 G CA -0.468 44.131 45.100 -0.835 0.000 0.646 1088 G HN 0.135 nan 8.290 nan 0.000 0.517 1089 N N 1.310 119.988 118.700 -0.036 0.000 2.408 1089 N HA 0.460 5.217 4.740 0.028 0.000 0.260 1089 N C -2.705 172.706 175.510 -0.164 0.000 1.242 1089 N CA -1.243 51.765 53.050 -0.069 0.000 0.959 1089 N CB 0.594 39.097 38.487 0.027 0.000 1.201 1089 N HN 0.031 nan 8.380 nan 0.000 0.511 1090 P HA 0.023 nan 4.420 nan 0.000 0.265 1090 P C -0.097 177.037 177.300 -0.278 0.000 1.193 1090 P CA -0.261 62.526 63.100 -0.522 0.000 0.765 1090 P CB 0.439 31.569 31.700 -0.950 0.000 0.823 1091 L N 4.590 125.677 121.223 -0.228 0.000 2.426 1091 L HA 0.248 4.605 4.340 0.028 0.000 0.271 1091 L C -0.129 176.624 176.870 -0.194 0.000 1.169 1091 L CA 0.973 55.698 54.840 -0.191 0.000 0.836 1091 L CB -0.144 41.751 42.059 -0.273 0.000 1.112 1091 L HN 0.285 nan 8.230 nan 0.000 0.465 1092 M N 4.145 123.724 119.600 -0.034 0.000 2.602 1092 M HA 0.323 4.820 4.480 0.028 0.000 0.312 1092 M C -0.783 175.440 176.300 -0.127 0.000 1.181 1092 M CA -0.463 54.781 55.300 -0.095 0.000 0.910 1092 M CB 1.580 34.163 32.600 -0.028 0.000 1.723 1092 M HN 0.384 nan 8.290 nan 0.000 0.459 1093 Y N 1.138 121.424 120.300 -0.024 0.000 2.300 1093 Y HA 0.179 4.745 4.550 0.027 0.000 0.328 1093 Y C 0.977 176.855 175.900 -0.037 0.000 1.270 1093 Y CA 0.287 58.372 58.100 -0.025 0.000 1.352 1093 Y CB 0.570 39.015 38.460 -0.026 0.000 1.286 1093 Y HN 0.744 nan 8.280 nan 0.000 0.536 1094 N N 0.882 119.680 118.700 0.164 0.000 2.721 1094 N HA -0.251 4.505 4.740 0.028 0.000 0.249 1094 N C -0.812 174.684 175.510 -0.022 0.000 1.072 1094 N CA 0.920 54.016 53.050 0.076 0.000 0.710 1094 N CB -0.900 37.633 38.487 0.077 0.000 0.993 1094 N HN 0.567 nan 8.380 nan 0.000 0.547 1095 K N 0.873 121.186 120.400 -0.145 0.000 2.443 1095 K HA 0.241 4.577 4.320 0.028 0.000 0.252 1095 K C -0.518 175.761 176.600 -0.536 0.000 0.933 1095 K CA -0.514 55.554 56.287 -0.366 0.000 0.792 1095 K CB 1.559 33.737 32.500 -0.536 0.000 1.185 1095 K HN 0.028 nan 8.250 nan 0.000 0.425 1096 E N 3.057 123.059 120.200 -0.331 0.000 2.376 1096 E HA 0.035 4.402 4.350 0.028 0.000 0.266 1096 E C -1.035 175.378 176.600 -0.311 0.000 1.009 1096 E CA 0.445 56.723 56.400 -0.203 0.000 0.902 1096 E CB 0.512 30.139 29.700 -0.121 0.000 0.972 1096 E HN 0.390 nan 8.360 nan 0.000 0.439 1097 Y N 1.145 121.484 120.300 0.064 0.000 2.470 1097 Y HA 0.258 4.824 4.550 0.027 0.000 0.341 1097 Y C -0.670 175.313 175.900 0.138 0.000 1.021 1097 Y CA -1.204 56.986 58.100 0.150 0.000 1.025 1097 Y CB 1.318 40.004 38.460 0.376 0.000 1.266 1097 Y HN 0.446 nan 8.280 nan 0.000 0.448 1098 Y N 2.186 122.752 120.300 0.443 0.000 2.335 1098 Y HA 0.480 5.047 4.550 0.027 0.000 0.323 1098 Y C 0.172 176.197 175.900 0.209 0.000 1.224 1098 Y CA -0.645 57.656 58.100 0.336 0.000 1.241 1098 Y CB 1.002 39.593 38.460 0.218 0.000 1.235 1098 Y HN 0.363 nan 8.280 nan 0.000 0.492 1099 M N 2.891 122.649 119.600 0.263 0.000 2.363 1099 M HA 0.321 4.818 4.480 0.028 0.000 0.343 1099 M C -1.371 175.019 176.300 0.151 0.000 1.165 1099 M CA -0.537 54.739 55.300 -0.040 0.000 1.046 1099 M CB 1.355 33.655 32.600 -0.499 0.000 1.648 1099 M HN 0.587 nan 8.290 nan 0.000 0.452 1100 F N 3.147 123.078 119.950 -0.031 0.000 2.532 1100 F HA 0.483 5.027 4.527 0.028 0.000 0.321 1100 F C -0.806 174.997 175.800 0.006 0.000 1.089 1100 F CA -0.712 57.278 58.000 -0.016 0.000 0.926 1100 F CB 1.199 40.138 39.000 -0.101 0.000 1.168 1100 F HN 0.478 nan 8.300 nan 0.000 0.459 1101 N N 4.275 122.370 118.700 -1.008 0.000 2.479 1101 N HA 0.331 5.087 4.740 0.028 0.000 0.261 1101 N C 0.276 175.048 175.510 -1.230 0.000 0.979 1101 N CA 0.206 52.591 53.050 -1.107 0.000 0.930 1101 N CB 2.014 39.894 38.487 -1.011 0.000 1.172 1101 N HN 0.897 nan 8.380 nan 0.000 0.499 1102 A N 2.714 125.044 122.820 -0.817 0.000 2.125 1102 A HA -0.027 4.310 4.320 0.028 0.000 0.219 1102 A C 1.649 179.050 177.584 -0.306 0.000 1.156 1102 A CA 1.735 53.533 52.037 -0.399 0.000 0.671 1102 A CB -0.302 18.651 19.000 -0.079 0.000 0.794 1102 A HN 0.693 nan 8.150 nan 0.000 0.459 1103 G N -1.328 107.248 108.800 -0.374 0.000 2.887 1103 G HA2 0.192 4.169 3.960 0.028 0.000 0.211 1103 G HA3 0.192 4.169 3.960 0.028 0.000 0.211 1103 G C 0.102 174.871 174.900 -0.219 0.000 1.152 1103 G CA 0.171 45.131 45.100 -0.232 0.000 0.769 1103 G HN 0.525 nan 8.290 nan 0.000 0.541 1104 N N -0.183 118.324 118.700 -0.321 0.000 2.711 1104 N HA 0.229 4.986 4.740 0.028 0.000 0.263 1104 N C 0.790 176.135 175.510 -0.276 0.000 1.667 1104 N CA -0.373 52.538 53.050 -0.233 0.000 0.785 1104 N CB 1.317 39.684 38.487 -0.201 0.000 1.231 1104 N HN -0.014 nan 8.380 nan 0.000 0.503 1105 K N 0.184 120.455 120.400 -0.216 0.000 2.034 1105 K HA -0.127 4.209 4.320 0.028 0.000 0.214 1105 K C 0.505 177.147 176.600 0.070 0.000 1.051 1105 K CA 1.215 57.455 56.287 -0.078 0.000 0.931 1105 K CB 0.001 32.593 32.500 0.153 0.000 0.715 1105 K HN 0.303 nan 8.250 nan 0.000 0.446 1106 N N 0.557 119.293 118.700 0.060 0.000 2.421 1106 N HA 0.028 4.785 4.740 0.028 0.000 0.201 1106 N C -0.699 174.868 175.510 0.094 0.000 1.198 1106 N CA 0.278 53.388 53.050 0.101 0.000 0.838 1106 N CB 0.562 39.101 38.487 0.087 0.000 1.011 1106 N HN -0.004 nan 8.380 nan 0.000 0.463 1107 S N 0.143 115.870 115.700 0.045 0.000 2.568 1107 S HA 0.630 5.117 4.470 0.028 0.000 0.302 1107 S C -0.699 173.974 174.600 0.122 0.000 1.082 1107 S CA -0.751 57.466 58.200 0.028 0.000 1.009 1107 S CB 1.444 64.608 63.200 -0.059 0.000 1.069 1107 S HN 0.365 nan 8.310 nan 0.000 0.500 1108 Y N -0.968 119.336 120.300 0.007 0.000 2.615 1108 Y HA 0.788 5.354 4.550 0.028 0.000 0.341 1108 Y C -1.359 174.547 175.900 0.010 0.000 1.089 1108 Y CA -1.468 56.650 58.100 0.030 0.000 1.049 1108 Y CB 0.531 39.020 38.460 0.049 0.000 1.296 1108 Y HN 0.478 nan 8.280 nan 0.000 0.470 1109 I N 2.854 123.506 120.570 0.138 0.000 2.353 1109 I HA 0.427 4.613 4.170 0.028 0.000 0.293 1109 I C -0.366 175.780 176.117 0.048 0.000 0.992 1109 I CA -0.642 60.633 61.300 -0.042 0.000 1.268 1109 I CB 1.526 39.379 38.000 -0.245 0.000 1.387 1109 I HN 0.621 nan 8.210 nan 0.000 0.478 1110 K N 6.008 126.367 120.400 -0.068 0.000 2.482 1110 K HA 0.391 4.728 4.320 0.028 0.000 0.251 1110 K C -1.296 175.258 176.600 -0.076 0.000 0.936 1110 K CA -0.954 55.320 56.287 -0.022 0.000 0.791 1110 K CB 2.039 34.560 32.500 0.035 0.000 1.213 1110 K HN 0.428 nan 8.250 nan 0.000 0.428 1111 L N 4.075 125.244 121.223 -0.090 0.000 2.534 1111 L HA 0.131 4.488 4.340 0.028 0.000 0.271 1111 L C -0.099 176.774 176.870 0.005 0.000 1.178 1111 L CA 0.739 55.556 54.840 -0.038 0.000 0.907 1111 L CB 0.099 42.162 42.059 0.006 0.000 1.164 1111 L HN 0.584 nan 8.230 nan 0.000 0.482 1112 K N 4.464 124.885 120.400 0.035 0.000 2.412 1112 K HA -0.037 4.299 4.320 0.028 0.000 0.281 1112 K C 1.141 177.770 176.600 0.049 0.000 1.027 1112 K CA 0.198 56.506 56.287 0.036 0.000 0.989 1112 K CB 0.674 33.219 32.500 0.075 0.000 0.935 1112 K HN 0.783 nan 8.250 nan 0.000 0.475 1113 K N 2.985 123.402 120.400 0.029 0.000 2.020 1113 K HA -0.236 4.100 4.320 0.028 0.000 0.212 1113 K C 0.850 177.481 176.600 0.052 0.000 1.050 1113 K CA 2.598 58.904 56.287 0.032 0.000 0.929 1113 K CB 0.012 32.523 32.500 0.018 0.000 0.714 1113 K HN 0.792 nan 8.250 nan 0.000 0.443 1114 D N -0.776 119.655 120.400 0.052 0.000 2.333 1114 D HA -0.042 4.615 4.640 0.028 0.000 0.208 1114 D C 0.246 176.592 176.300 0.076 0.000 0.984 1114 D CA 0.153 54.188 54.000 0.059 0.000 0.873 1114 D CB 0.294 41.122 40.800 0.047 0.000 0.935 1114 D HN 0.152 nan 8.370 nan 0.000 0.521 1115 S N -1.328 114.426 115.700 0.090 0.000 2.618 1115 S HA 0.468 4.955 4.470 0.028 0.000 0.277 1115 S C -2.706 171.962 174.600 0.113 0.000 1.138 1115 S CA -1.435 56.825 58.200 0.100 0.000 0.844 1115 S CB 1.855 65.110 63.200 0.091 0.000 1.127 1115 S HN -0.117 nan 8.310 nan 0.000 0.474 1116 P HA 0.157 nan 4.420 nan 0.000 0.277 1116 P C 0.023 177.341 177.300 0.031 0.000 1.617 1116 P CA 0.101 63.178 63.100 -0.037 0.000 0.829 1116 P CB -0.799 30.690 31.700 -0.352 0.000 1.774 1117 V N -3.669 116.328 119.914 0.138 0.000 3.074 1117 V HA 0.939 5.076 4.120 0.028 0.000 0.314 1117 V C -0.038 176.183 176.094 0.212 0.000 1.117 1117 V CA -1.153 61.273 62.300 0.210 0.000 1.014 1117 V CB 1.806 33.780 31.823 0.251 0.000 1.057 1117 V HN 0.073 nan 8.190 nan 0.000 0.438 1118 G N 1.864 110.834 108.800 0.284 0.000 2.377 1118 G HA2 0.569 4.545 3.960 0.028 0.000 0.316 1118 G HA3 0.569 4.545 3.960 0.028 0.000 0.316 1118 G C -0.263 174.700 174.900 0.106 0.000 1.115 1118 G CA -0.315 44.884 45.100 0.164 0.000 0.952 1118 G HN 1.092 nan 8.290 nan 0.000 0.441 1119 E N 2.430 122.582 120.200 -0.080 0.000 2.349 1119 E HA 0.371 4.738 4.350 0.028 0.000 0.265 1119 E C -0.603 175.830 176.600 -0.278 0.000 1.064 1119 E CA -0.785 55.407 56.400 -0.345 0.000 0.886 1119 E CB 1.396 30.884 29.700 -0.354 0.000 1.036 1119 E HN 0.111 nan 8.360 nan 0.000 0.413 1120 I N 3.516 123.894 120.570 -0.320 0.000 2.330 1120 I HA 0.274 4.460 4.170 0.028 0.000 0.289 1120 I C -0.002 175.911 176.117 -0.339 0.000 1.001 1120 I CA -0.564 60.585 61.300 -0.252 0.000 1.193 1120 I CB 0.338 38.278 38.000 -0.101 0.000 1.345 1120 I HN 0.579 nan 8.210 nan 0.000 0.461 1121 L N 4.739 125.620 121.223 -0.569 0.000 2.304 1121 L HA 0.551 4.908 4.340 0.028 0.000 0.268 1121 L C 0.520 177.112 176.870 -0.464 0.000 1.010 1121 L CA -0.787 53.701 54.840 -0.587 0.000 0.813 1121 L CB 1.718 43.301 42.059 -0.793 0.000 1.315 1121 L HN 0.423 nan 8.230 nan 0.000 0.445 1122 T N 0.822 115.278 114.554 -0.163 0.000 2.817 1122 T HA 0.288 4.654 4.350 0.028 0.000 0.293 1122 T C 0.155 175.020 174.700 0.276 0.000 0.964 1122 T CA -0.501 61.622 62.100 0.039 0.000 1.085 1122 T CB 0.424 69.313 68.868 0.035 0.000 0.921 1122 T HN 0.370 nan 8.240 nan 0.000 0.502 1123 R N 2.278 122.973 120.500 0.324 0.000 2.570 1123 R HA 0.209 4.565 4.340 0.028 0.000 0.277 1123 R C 1.043 177.444 176.300 0.168 0.000 1.039 1123 R CA -0.272 56.006 56.100 0.297 0.000 1.065 1123 R CB 0.299 30.716 30.300 0.195 0.000 0.964 1123 R HN 0.777 nan 8.270 nan 0.000 0.428 1124 S N 2.440 118.204 115.700 0.107 0.000 2.608 1124 S HA 0.233 4.719 4.470 0.028 0.000 0.261 1124 S C -0.031 174.604 174.600 0.057 0.000 1.314 1124 S CA -0.601 57.639 58.200 0.067 0.000 0.992 1124 S CB 0.921 64.142 63.200 0.035 0.000 0.935 1124 S HN 0.655 nan 8.310 nan 0.000 0.564 1125 K N -0.734 119.677 120.400 0.019 0.000 2.409 1125 K HA 0.420 4.757 4.320 0.028 0.000 0.252 1125 K C -1.238 175.288 176.600 -0.124 0.000 1.036 1125 K CA -1.126 55.144 56.287 -0.028 0.000 0.871 1125 K CB 0.468 32.960 32.500 -0.014 0.000 1.374 1125 K HN 0.547 nan 8.250 nan 0.000 0.459 1126 Y N 2.046 122.049 120.300 -0.495 0.000 2.802 1126 Y HA -0.059 4.508 4.550 0.028 0.000 0.333 1126 Y C 0.050 175.821 175.900 -0.215 0.000 1.244 1126 Y CA 0.515 58.285 58.100 -0.550 0.000 1.558 1126 Y CB 0.203 38.131 38.460 -0.888 0.000 1.233 1126 Y HN 0.627 nan 8.280 nan 0.000 0.547 1127 N N 3.908 122.217 118.700 -0.651 0.000 2.388 1127 N HA -0.019 4.737 4.740 0.028 0.000 0.176 1127 N C 0.073 175.203 175.510 -0.634 0.000 1.062 1127 N CA 0.352 53.100 53.050 -0.504 0.000 0.895 1127 N CB 0.082 38.417 38.487 -0.254 0.000 1.018 1127 N HN 0.748 nan 8.380 nan 0.000 0.456 1128 Q N 0.990 120.177 119.800 -1.023 0.000 2.722 1128 Q HA 0.029 4.385 4.340 0.028 0.000 0.214 1128 Q C 0.586 176.375 176.000 -0.353 0.000 1.109 1128 Q CA 0.198 55.658 55.803 -0.571 0.000 1.066 1128 Q CB 0.253 28.816 28.738 -0.291 0.000 1.290 1128 Q HN 0.302 nan 8.270 nan 0.000 0.620 1129 N N -1.119 117.545 118.700 -0.059 0.000 2.251 1129 N HA 0.015 4.772 4.740 0.028 0.000 0.217 1129 N C -0.443 175.139 175.510 0.121 0.000 1.124 1129 N CA -0.154 52.913 53.050 0.029 0.000 0.843 1129 N CB 0.589 39.076 38.487 -0.000 0.000 1.024 1129 N HN 0.234 nan 8.380 nan 0.000 0.501 1130 S N 0.758 116.615 115.700 0.262 0.000 2.562 1130 S HA 0.040 4.526 4.470 0.028 0.000 0.281 1130 S C 1.220 175.881 174.600 0.101 0.000 1.333 1130 S CA -0.504 57.812 58.200 0.193 0.000 1.052 1130 S CB 0.627 63.954 63.200 0.212 0.000 0.884 1130 S HN 0.560 nan 8.310 nan 0.000 0.506 1131 K N 3.147 123.511 120.400 -0.060 0.000 2.400 1131 K HA 0.026 4.362 4.320 0.028 0.000 0.194 1131 K C 0.684 177.143 176.600 -0.235 0.000 1.033 1131 K CA 0.777 56.953 56.287 -0.184 0.000 1.021 1131 K CB -0.193 32.110 32.500 -0.328 0.000 0.808 1131 K HN 0.717 nan 8.250 nan 0.000 0.505 1132 Y N 2.288 122.544 120.300 -0.074 0.000 2.490 1132 Y HA 0.222 4.788 4.550 0.028 0.000 0.285 1132 Y C 1.233 177.009 175.900 -0.206 0.000 1.117 1132 Y CA -0.410 57.616 58.100 -0.123 0.000 1.262 1132 Y CB 0.180 38.554 38.460 -0.143 0.000 1.043 1132 Y HN 0.105 nan 8.280 nan 0.000 0.553 1133 I N -1.862 118.622 120.570 -0.144 0.000 2.785 1133 I HA 0.524 4.710 4.170 0.028 0.000 0.302 1133 I C -0.925 175.017 176.117 -0.290 0.000 1.069 1133 I CA -1.082 60.028 61.300 -0.316 0.000 1.045 1133 I CB 2.461 40.048 38.000 -0.688 0.000 1.236 1133 I HN -0.077 nan 8.210 nan 0.000 0.429 1134 N N 3.442 122.090 118.700 -0.086 0.000 2.555 1134 N HA 0.476 5.233 4.740 0.028 0.000 0.265 1134 N C -2.125 173.514 175.510 0.215 0.000 1.135 1134 N CA -0.217 52.836 53.050 0.006 0.000 0.925 1134 N CB 2.866 41.399 38.487 0.077 0.000 1.662 1134 N HN 0.867 nan 8.380 nan 0.000 0.489 1135 Y N -0.569 119.863 120.300 0.220 0.000 2.774 1135 Y HA 0.568 5.135 4.550 0.028 0.000 0.346 1135 Y C -1.735 174.318 175.900 0.254 0.000 1.222 1135 Y CA -1.116 57.148 58.100 0.273 0.000 1.088 1135 Y CB 0.604 39.294 38.460 0.383 0.000 1.354 1135 Y HN 0.276 nan 8.280 nan 0.000 0.455 1136 R N 1.409 122.185 120.500 0.459 0.000 2.532 1136 R HA 0.327 4.683 4.340 0.028 0.000 0.295 1136 R C -1.241 175.305 176.300 0.411 0.000 0.968 1136 R CA -0.884 55.394 56.100 0.297 0.000 0.916 1136 R CB 1.370 31.791 30.300 0.202 0.000 1.124 1136 R HN 0.801 nan 8.270 nan 0.000 0.463 1137 D N 2.269 122.833 120.400 0.274 0.000 2.443 1137 D HA 0.025 4.682 4.640 0.028 0.000 0.239 1137 D C 1.210 177.475 176.300 -0.059 0.000 1.136 1137 D CA 0.216 54.331 54.000 0.192 0.000 0.879 1137 D CB 1.168 42.019 40.800 0.085 0.000 1.195 1137 D HN 0.354 nan 8.370 nan 0.000 0.443 1138 L N 1.017 122.078 121.223 -0.269 0.000 2.537 1138 L HA 0.036 4.392 4.340 0.028 0.000 0.224 1138 L C 0.404 176.969 176.870 -0.508 0.000 1.065 1138 L CA 0.145 54.674 54.840 -0.519 0.000 0.860 1138 L CB 0.139 41.623 42.059 -0.959 0.000 1.086 1138 L HN 0.316 nan 8.230 nan 0.000 0.482 1139 Y N 1.848 121.865 120.300 -0.473 0.000 2.667 1139 Y HA 0.477 5.044 4.550 0.027 0.000 0.340 1139 Y C 0.014 175.346 175.900 -0.947 0.000 1.303 1139 Y CA -0.894 56.562 58.100 -1.073 0.000 1.769 1139 Y CB -0.331 37.844 38.460 -0.474 0.000 1.804 1139 Y HN -0.004 nan 8.280 nan 0.000 0.451 1140 I N -0.389 119.745 120.570 -0.728 0.000 3.006 1140 I HA 0.805 4.992 4.170 0.028 0.000 0.306 1140 I C 0.180 176.177 176.117 -0.200 0.000 1.250 1140 I CA -0.256 60.779 61.300 -0.440 0.000 0.996 1140 I CB 2.203 39.832 38.000 -0.618 0.000 1.261 1140 I HN 0.509 nan 8.210 nan 0.000 0.442 1141 G N 4.365 113.099 108.800 -0.111 0.000 2.728 1141 G HA2 -0.111 3.865 3.960 0.028 0.000 0.294 1141 G HA3 -0.111 3.865 3.960 0.028 0.000 0.294 1141 G C -0.939 174.126 174.900 0.274 0.000 1.342 1141 G CA -0.647 44.598 45.100 0.242 0.000 0.866 1141 G HN 0.715 nan 8.290 nan 0.000 0.534 1142 E N 0.519 120.806 120.200 0.145 0.000 2.418 1142 E HA 0.230 4.596 4.350 0.028 0.000 0.261 1142 E C 0.452 177.010 176.600 -0.070 0.000 1.070 1142 E CA 0.298 56.640 56.400 -0.096 0.000 0.931 1142 E CB 0.436 29.756 29.700 -0.633 0.000 0.954 1142 E HN 0.482 nan 8.360 nan 0.000 0.439 1143 K N 2.330 122.662 120.400 -0.114 0.000 2.266 1143 K HA 0.259 4.596 4.320 0.028 0.000 0.274 1143 K C -0.449 176.115 176.600 -0.059 0.000 1.090 1143 K CA -0.251 55.961 56.287 -0.125 0.000 0.925 1143 K CB 0.289 32.757 32.500 -0.053 0.000 1.225 1143 K HN 0.205 nan 8.250 nan 0.000 0.458 1144 F N 2.372 122.385 119.950 0.105 0.000 2.370 1144 F HA 0.482 5.026 4.527 0.027 0.000 0.319 1144 F C 0.482 176.365 175.800 0.138 0.000 1.129 1144 F CA -0.812 57.287 58.000 0.166 0.000 1.109 1144 F CB 0.688 39.831 39.000 0.238 0.000 1.262 1144 F HN 0.326 nan 8.300 nan 0.000 0.534 1145 I N 1.833 122.565 120.570 0.269 0.000 2.649 1145 I HA 0.359 4.546 4.170 0.028 0.000 0.289 1145 I C -1.453 174.753 176.117 0.149 0.000 1.222 1145 I CA -0.427 60.961 61.300 0.148 0.000 1.046 1145 I CB 1.240 39.275 38.000 0.059 0.000 1.272 1145 I HN 0.372 nan 8.210 nan 0.000 0.425 1146 I N 7.217 127.862 120.570 0.125 0.000 2.352 1146 I HA 0.393 4.580 4.170 0.028 0.000 0.290 1146 I C -0.109 176.167 176.117 0.265 0.000 1.036 1146 I CA -0.624 60.748 61.300 0.120 0.000 1.336 1146 I CB 0.542 38.490 38.000 -0.085 0.000 1.407 1146 I HN 0.374 nan 8.210 nan 0.000 0.497 1147 R N 5.622 126.286 120.500 0.274 0.000 2.532 1147 R HA 0.479 4.836 4.340 0.028 0.000 0.295 1147 R C -0.271 176.113 176.300 0.139 0.000 0.968 1147 R CA -0.976 55.269 56.100 0.241 0.000 0.916 1147 R CB 1.607 32.048 30.300 0.236 0.000 1.124 1147 R HN 0.597 nan 8.270 nan 0.000 0.463 1148 R N 1.378 121.752 120.500 -0.210 0.000 2.490 1148 R HA 0.021 4.378 4.340 0.028 0.000 0.280 1148 R C 0.886 177.034 176.300 -0.255 0.000 1.077 1148 R CA -0.072 55.734 56.100 -0.491 0.000 1.065 1148 R CB 0.772 30.559 30.300 -0.856 0.000 1.003 1148 R HN 0.461 nan 8.270 nan 0.000 0.470 1149 K N 1.500 121.723 120.400 -0.296 0.000 2.029 1149 K HA 0.082 4.418 4.320 0.028 0.000 0.205 1149 K C 0.180 176.698 176.600 -0.137 0.000 1.042 1149 K CA 1.114 57.194 56.287 -0.345 0.000 0.949 1149 K CB 0.002 32.277 32.500 -0.375 0.000 0.740 1149 K HN 0.526 nan 8.250 nan 0.000 0.442 1150 S N 1.653 117.290 115.700 -0.105 0.000 2.633 1150 S HA 0.053 4.540 4.470 0.028 0.000 0.257 1150 S C -1.051 173.513 174.600 -0.060 0.000 1.265 1150 S CA -0.070 58.095 58.200 -0.058 0.000 0.980 1150 S CB -0.085 63.096 63.200 -0.032 0.000 1.017 1150 S HN 0.642 nan 8.310 nan 0.000 0.577 1151 N N 0.537 119.216 118.700 -0.035 0.000 2.569 1151 N HA -0.186 4.571 4.740 0.028 0.000 0.297 1151 N C -0.062 175.430 175.510 -0.030 0.000 1.415 1151 N CA 0.765 53.797 53.050 -0.030 0.000 0.742 1151 N CB -0.784 37.681 38.487 -0.037 0.000 1.031 1151 N HN 0.688 nan 8.380 nan 0.000 0.485 1152 S N -0.894 114.799 115.700 -0.011 0.000 3.048 1152 S HA 0.101 4.587 4.470 0.028 0.000 0.254 1152 S C 1.533 176.128 174.600 -0.008 0.000 1.084 1152 S CA 0.590 58.789 58.200 -0.003 0.000 1.195 1152 S CB -0.170 63.035 63.200 0.009 0.000 0.870 1152 S HN 0.951 nan 8.310 nan 0.000 0.483 1153 Q N 0.508 120.295 119.800 -0.022 0.000 2.408 1153 Q HA 0.419 4.776 4.340 0.028 0.000 0.214 1153 Q C 0.829 176.818 176.000 -0.018 0.000 0.957 1153 Q CA 0.512 56.303 55.803 -0.020 0.000 0.965 1153 Q CB -1.336 27.384 28.738 -0.029 0.000 0.991 1153 Q HN 0.779 nan 8.270 nan 0.000 0.505 1154 S N -1.260 114.432 115.700 -0.013 0.000 3.683 1154 S HA -0.190 4.297 4.470 0.028 0.000 0.636 1154 S C 0.338 174.932 174.600 -0.010 0.000 2.235 1154 S CA 0.467 58.664 58.200 -0.004 0.000 2.445 1154 S CB -1.253 61.947 63.200 0.001 0.000 0.330 1154 S HN 1.599 nan 8.310 nan 0.000 1.763 1155 I N -1.886 118.686 120.570 0.003 0.000 2.862 1155 I HA 0.647 4.833 4.170 0.028 0.000 0.285 1155 I C 0.386 176.514 176.117 0.018 0.000 1.339 1155 I CA -0.112 61.194 61.300 0.011 0.000 1.002 1155 I CB 0.141 38.160 38.000 0.032 0.000 1.618 1155 I HN 0.635 nan 8.210 nan 0.000 0.593 1156 N N 3.198 121.905 118.700 0.011 0.000 2.319 1156 N HA 0.128 4.885 4.740 0.028 0.000 0.189 1156 N C 0.470 175.993 175.510 0.021 0.000 1.042 1156 N CA 1.245 54.303 53.050 0.013 0.000 0.879 1156 N CB 0.124 38.615 38.487 0.007 0.000 1.052 1156 N HN 0.726 nan 8.380 nan 0.000 0.446 1157 D N -2.719 117.700 120.400 0.032 0.000 3.058 1157 D HA 0.345 5.002 4.640 0.028 0.000 0.275 1157 D C -2.380 173.966 176.300 0.075 0.000 1.089 1157 D CA -0.359 53.674 54.000 0.054 0.000 0.722 1157 D CB 1.579 42.391 40.800 0.019 0.000 1.454 1157 D HN 0.310 nan 8.370 nan 0.000 0.453 1158 D N -0.426 120.053 120.400 0.131 0.000 2.913 1158 D HA 0.351 5.007 4.640 0.028 0.000 0.293 1158 D C -1.069 175.323 176.300 0.153 0.000 1.238 1158 D CA -0.421 53.671 54.000 0.153 0.000 0.738 1158 D CB 1.066 41.977 40.800 0.185 0.000 1.254 1158 D HN 0.283 nan 8.370 nan 0.000 0.429 1159 I N 1.155 121.780 120.570 0.091 0.000 2.371 1159 I HA 0.309 4.495 4.170 0.028 0.000 0.290 1159 I C 0.073 176.164 176.117 -0.043 0.000 1.028 1159 I CA -0.835 60.435 61.300 -0.049 0.000 1.345 1159 I CB 1.284 39.229 38.000 -0.092 0.000 1.407 1159 I HN 0.057 nan 8.210 nan 0.000 0.501 1160 V N 7.536 127.260 119.914 -0.316 0.000 2.408 1160 V HA 0.293 4.430 4.120 0.028 0.000 0.267 1160 V C 0.469 176.484 176.094 -0.132 0.000 1.047 1160 V CA -0.434 61.606 62.300 -0.434 0.000 0.937 1160 V CB 0.297 31.710 31.823 -0.684 0.000 0.999 1160 V HN 0.690 nan 8.190 nan 0.000 0.472 1161 R N 3.272 123.750 120.500 -0.036 0.000 2.668 1161 R HA 0.494 4.851 4.340 0.028 0.000 0.279 1161 R C -0.252 175.998 176.300 -0.085 0.000 0.976 1161 R CA -1.050 55.036 56.100 -0.025 0.000 0.978 1161 R CB 1.694 31.999 30.300 0.009 0.000 1.133 1161 R HN 0.592 nan 8.270 nan 0.000 0.484 1162 K N 2.292 122.624 120.400 -0.112 0.000 2.527 1162 K HA -0.118 4.218 4.320 0.028 0.000 0.278 1162 K C 0.049 176.550 176.600 -0.164 0.000 0.981 1162 K CA 0.484 56.680 56.287 -0.152 0.000 1.009 1162 K CB 0.265 32.669 32.500 -0.161 0.000 0.895 1162 K HN 0.613 nan 8.250 nan 0.000 0.493 1163 E N -0.282 119.785 120.200 -0.222 0.000 4.028 1163 E HA -0.194 4.173 4.350 0.028 0.000 0.343 1163 E C -0.677 175.686 176.600 -0.396 0.000 0.700 1163 E CA 1.047 57.273 56.400 -0.291 0.000 1.288 1163 E CB -1.216 28.358 29.700 -0.210 0.000 1.677 1163 E HN 0.700 nan 8.360 nan 0.000 0.424 1164 D N -0.040 120.201 120.400 -0.266 0.000 2.423 1164 D HA 0.137 4.793 4.640 0.028 0.000 0.238 1164 D C 0.178 176.272 176.300 -0.344 0.000 1.142 1164 D CA 0.410 54.288 54.000 -0.203 0.000 0.884 1164 D CB 0.170 40.972 40.800 0.004 0.000 1.199 1164 D HN 0.003 nan 8.370 nan 0.000 0.438 1165 Y N 1.167 121.435 120.300 -0.052 0.000 2.320 1165 Y HA 0.381 4.948 4.550 0.028 0.000 0.334 1165 Y C 0.775 176.587 175.900 -0.147 0.000 1.055 1165 Y CA -0.604 57.430 58.100 -0.109 0.000 1.143 1165 Y CB 0.752 39.138 38.460 -0.124 0.000 1.193 1165 Y HN 0.182 nan 8.280 nan 0.000 0.477 1166 I N -1.018 119.526 120.570 -0.044 0.000 3.264 1166 I HA 0.602 4.788 4.170 0.028 0.000 0.315 1166 I C -1.938 174.096 176.117 -0.137 0.000 1.154 1166 I CA -1.417 59.832 61.300 -0.086 0.000 0.962 1166 I CB 2.824 40.857 38.000 0.055 0.000 1.265 1166 I HN 0.419 nan 8.210 nan 0.000 0.463 1167 Y N 2.088 122.432 120.300 0.074 0.000 2.364 1167 Y HA 0.586 5.153 4.550 0.028 0.000 0.340 1167 Y C -0.678 175.257 175.900 0.058 0.000 0.975 1167 Y CA -1.060 57.066 58.100 0.044 0.000 1.089 1167 Y CB 2.304 40.786 38.460 0.037 0.000 1.192 1167 Y HN 0.395 nan 8.280 nan 0.000 0.454 1168 L N 4.938 126.296 121.223 0.225 0.000 2.262 1168 L HA 0.489 4.845 4.340 0.028 0.000 0.288 1168 L C -1.072 175.968 176.870 0.283 0.000 1.035 1168 L CA -0.036 54.948 54.840 0.240 0.000 0.820 1168 L CB -0.010 42.181 42.059 0.220 0.000 1.204 1168 L HN 0.575 nan 8.230 nan 0.000 0.424 1169 D N 3.976 124.529 120.400 0.255 0.000 2.621 1169 D HA 0.711 5.367 4.640 0.028 0.000 0.255 1169 D C -0.910 175.505 176.300 0.192 0.000 1.122 1169 D CA 0.229 54.323 54.000 0.156 0.000 1.096 1169 D CB 1.575 42.330 40.800 -0.075 0.000 1.282 1169 D HN 0.333 nan 8.370 nan 0.000 0.619 1170 F N -1.951 117.793 119.950 -0.344 0.000 2.741 1170 F HA 0.601 5.144 4.527 0.027 0.000 0.311 1170 F C -1.998 173.407 175.800 -0.657 0.000 1.149 1170 F CA -1.415 56.233 58.000 -0.587 0.000 0.930 1170 F CB 0.541 39.053 39.000 -0.813 0.000 1.312 1170 F HN 0.039 nan 8.300 nan 0.000 0.450 1171 F N 2.194 122.021 119.950 -0.206 0.000 2.405 1171 F HA 0.402 4.945 4.527 0.027 0.000 0.355 1171 F C 0.280 175.860 175.800 -0.365 0.000 1.121 1171 F CA -0.553 57.263 58.000 -0.308 0.000 1.112 1171 F CB 1.105 40.001 39.000 -0.174 0.000 1.126 1171 F HN 0.560 nan 8.300 nan 0.000 0.481 1172 N N 5.875 124.276 118.700 -0.498 0.000 2.817 1172 N HA 0.461 5.218 4.740 0.028 0.000 0.234 1172 N C 0.136 175.435 175.510 -0.352 0.000 1.066 1172 N CA 0.089 52.772 53.050 -0.613 0.000 0.926 1172 N CB 0.022 37.589 38.487 -1.534 0.000 1.176 1172 N HN 0.774 nan 8.380 nan 0.000 0.506 1173 L N 0.908 122.033 121.223 -0.162 0.000 6.267 1173 L HA -0.437 3.919 4.340 0.028 0.000 0.053 1173 L C 0.974 177.809 176.870 -0.059 0.000 2.435 1173 L CA 1.333 56.114 54.840 -0.097 0.000 1.548 1173 L CB -1.010 40.989 42.059 -0.101 0.000 2.870 1173 L HN 0.473 nan 8.230 nan 0.000 1.048 1174 N N 0.307 118.981 118.700 -0.043 0.000 2.398 1174 N HA 0.066 4.822 4.740 0.028 0.000 0.188 1174 N C -0.153 175.383 175.510 0.043 0.000 1.122 1174 N CA 0.510 53.553 53.050 -0.012 0.000 0.866 1174 N CB 0.271 38.751 38.487 -0.012 0.000 0.970 1174 N HN 0.303 nan 8.380 nan 0.000 0.462 1175 Q N -0.216 119.606 119.800 0.038 0.000 2.297 1175 Q HA 0.268 4.625 4.340 0.028 0.000 0.268 1175 Q C -1.073 174.972 176.000 0.075 0.000 1.045 1175 Q CA -0.747 55.114 55.803 0.096 0.000 0.861 1175 Q CB 1.993 30.842 28.738 0.185 0.000 1.344 1175 Q HN 0.180 nan 8.270 nan 0.000 0.452 1176 E N 1.441 121.691 120.200 0.083 0.000 2.092 1176 E HA 0.179 4.545 4.350 0.028 0.000 0.271 1176 E C -1.252 175.318 176.600 -0.051 0.000 0.919 1176 E CA -0.451 55.856 56.400 -0.155 0.000 0.760 1176 E CB 0.658 30.266 29.700 -0.154 0.000 1.106 1176 E HN 0.359 nan 8.360 nan 0.000 0.408 1177 W N 2.699 123.586 121.300 -0.688 0.000 2.225 1177 W HA 0.497 5.173 4.660 0.027 0.000 0.377 1177 W C 0.445 176.690 176.519 -0.456 0.000 1.418 1177 W CA -0.773 56.193 57.345 -0.632 0.000 1.562 1177 W CB 0.630 29.496 29.460 -0.989 0.000 1.297 1177 W HN 0.462 nan 8.180 nan 0.000 0.686 1178 R N -0.243 120.255 120.500 -0.003 0.000 2.836 1178 R HA 0.674 5.031 4.340 0.028 0.000 0.269 1178 R C -1.850 174.424 176.300 -0.042 0.000 1.010 1178 R CA -0.685 55.352 56.100 -0.105 0.000 0.930 1178 R CB 1.789 31.805 30.300 -0.473 0.000 1.218 1178 R HN 0.214 nan 8.270 nan 0.000 0.473 1179 V N 3.625 123.523 119.914 -0.027 0.000 2.370 1179 V HA 0.418 4.554 4.120 0.028 0.000 0.279 1179 V C -1.053 175.076 176.094 0.058 0.000 1.029 1179 V CA -0.266 62.134 62.300 0.167 0.000 0.870 1179 V CB 0.733 32.771 31.823 0.359 0.000 0.984 1179 V HN 0.593 nan 8.190 nan 0.000 0.451 1180 Y N 1.691 122.204 120.300 0.354 0.000 2.598 1180 Y HA 0.669 5.236 4.550 0.028 0.000 0.340 1180 Y C 0.520 176.539 175.900 0.198 0.000 1.038 1180 Y CA -0.964 57.348 58.100 0.353 0.000 1.100 1180 Y CB 2.242 40.879 38.460 0.295 0.000 1.281 1180 Y HN 0.408 nan 8.280 nan 0.000 0.488 1181 T N 1.367 116.058 114.554 0.230 0.000 2.847 1181 T HA 0.156 4.523 4.350 0.028 0.000 0.291 1181 T C -1.474 173.321 174.700 0.158 0.000 0.998 1181 T CA -0.596 61.464 62.100 -0.066 0.000 0.967 1181 T CB -0.004 68.442 68.868 -0.703 0.000 0.954 1181 T HN 0.410 nan 8.240 nan 0.000 0.441 1182 Y N 3.848 124.152 120.300 0.006 0.000 2.721 1182 Y HA 0.076 4.642 4.550 0.028 0.000 0.329 1182 Y C 1.423 177.103 175.900 -0.367 0.000 1.211 1182 Y CA -0.246 57.589 58.100 -0.441 0.000 1.512 1182 Y CB 0.499 38.740 38.460 -0.365 0.000 1.249 1182 Y HN 0.622 nan 8.280 nan 0.000 0.549 1183 K N 4.163 123.841 120.400 -1.203 0.000 2.103 1183 K HA -0.188 4.148 4.320 0.028 0.000 0.207 1183 K C -0.158 175.786 176.600 -1.092 0.000 1.048 1183 K CA 1.607 57.109 56.287 -1.308 0.000 0.930 1183 K CB -0.158 31.180 32.500 -1.936 0.000 0.716 1183 K HN 0.645 nan 8.250 nan 0.000 0.444 1184 Y N 0.876 120.552 120.300 -1.040 0.000 2.897 1184 Y HA 0.177 4.744 4.550 0.028 0.000 0.372 1184 Y C -0.237 175.596 175.900 -0.112 0.000 1.034 1184 Y CA -1.601 56.180 58.100 -0.532 0.000 1.627 1184 Y CB -0.825 37.342 38.460 -0.488 0.000 1.474 1184 Y HN -0.065 nan 8.280 nan 0.000 0.517 1185 F N -1.254 118.659 119.950 -0.061 0.000 2.385 1185 F HA 0.602 5.145 4.527 0.027 0.000 0.336 1185 F C 0.509 176.348 175.800 0.064 0.000 1.100 1185 F CA -1.754 56.304 58.000 0.096 0.000 1.116 1185 F CB 1.131 40.203 39.000 0.121 0.000 1.166 1185 F HN -0.106 nan 8.300 nan 0.000 0.511 1186 K N 1.559 121.970 120.400 0.019 0.000 2.360 1186 K HA 0.178 4.514 4.320 0.028 0.000 0.196 1186 K C 0.259 176.832 176.600 -0.045 0.000 1.049 1186 K CA -0.116 56.115 56.287 -0.094 0.000 1.049 1186 K CB 0.343 32.835 32.500 -0.014 0.000 0.881 1186 K HN 0.586 nan 8.250 nan 0.000 0.542 1187 K N 1.052 121.513 120.400 0.102 0.000 2.140 1187 K HA 0.000 4.337 4.320 0.028 0.000 0.237 1187 K C 0.959 177.643 176.600 0.141 0.000 1.045 1187 K CA -0.069 56.294 56.287 0.126 0.000 0.896 1187 K CB 0.511 33.116 32.500 0.175 0.000 1.122 1187 K HN -0.141 nan 8.250 nan 0.000 0.503 1188 E N 0.919 121.179 120.200 0.100 0.000 2.152 1188 E HA -0.134 4.232 4.350 0.028 0.000 0.192 1188 E C -0.122 176.598 176.600 0.200 0.000 0.983 1188 E CA 1.173 57.635 56.400 0.103 0.000 0.818 1188 E CB 0.356 30.074 29.700 0.029 0.000 0.758 1188 E HN 0.486 nan 8.360 nan 0.000 0.467 1189 E N -0.312 119.976 120.200 0.147 0.000 2.446 1189 E HA 0.329 4.696 4.350 0.028 0.000 0.276 1189 E C -0.805 175.832 176.600 0.062 0.000 0.969 1189 E CA -0.869 55.579 56.400 0.081 0.000 0.800 1189 E CB 1.348 30.923 29.700 -0.208 0.000 1.341 1189 E HN 0.187 nan 8.360 nan 0.000 0.460 1190 E N 0.217 120.372 120.200 -0.074 0.000 2.401 1190 E HA 0.418 4.784 4.350 0.028 0.000 0.280 1190 E C -1.270 175.335 176.600 0.009 0.000 1.039 1190 E CA -1.021 55.348 56.400 -0.051 0.000 0.814 1190 E CB 1.573 31.068 29.700 -0.341 0.000 1.275 1190 E HN 0.318 nan 8.360 nan 0.000 0.448 1191 K N 1.700 122.126 120.400 0.044 0.000 2.350 1191 K HA 0.242 4.579 4.320 0.028 0.000 0.279 1191 K C 0.055 176.692 176.600 0.063 0.000 1.027 1191 K CA -0.298 56.023 56.287 0.055 0.000 0.969 1191 K CB 0.565 33.013 32.500 -0.087 0.000 0.954 1191 K HN 0.338 nan 8.250 nan 0.000 0.474 1192 L N 2.444 123.714 121.223 0.079 0.000 2.473 1192 L HA 0.153 4.510 4.340 0.028 0.000 0.268 1192 L C 0.076 177.106 176.870 0.266 0.000 1.215 1192 L CA -0.261 54.630 54.840 0.086 0.000 0.823 1192 L CB 0.110 42.110 42.059 -0.098 0.000 1.099 1192 L HN 0.499 nan 8.230 nan 0.000 0.483 1193 F N 2.978 123.030 119.950 0.169 0.000 2.361 1193 F HA 0.425 4.968 4.527 0.028 0.000 0.364 1193 F C -0.581 175.376 175.800 0.263 0.000 1.117 1193 F CA -0.580 57.520 58.000 0.168 0.000 1.071 1193 F CB 0.565 39.609 39.000 0.073 0.000 1.188 1193 F HN 0.111 nan 8.300 nan 0.000 0.464 1194 L N 7.020 128.152 121.223 -0.151 0.000 2.265 1194 L HA 0.816 5.173 4.340 0.028 0.000 0.289 1194 L C -0.173 176.593 176.870 -0.175 0.000 1.033 1194 L CA -0.521 54.392 54.840 0.122 0.000 0.814 1194 L CB 0.750 43.042 42.059 0.388 0.000 1.203 1194 L HN 0.812 nan 8.230 nan 0.000 0.423 1195 A N 5.184 127.924 122.820 -0.133 0.000 2.581 1195 A HA 0.829 5.165 4.320 0.028 0.000 0.290 1195 A C -2.899 174.183 177.584 -0.835 0.000 1.119 1195 A CA -1.328 50.250 52.037 -0.764 0.000 0.670 1195 A CB 1.531 20.052 19.000 -0.798 0.000 1.280 1195 A HN 0.384 nan 8.150 nan 0.000 0.425 1196 P HA 0.224 nan 4.420 nan 0.000 0.270 1196 P C -0.564 176.555 177.300 -0.303 0.000 1.227 1196 P CA 0.115 62.628 63.100 -0.979 0.000 0.788 1196 P CB 0.234 31.487 31.700 -0.745 0.000 0.926 1197 I N 1.146 121.621 120.570 -0.158 0.000 2.517 1197 I HA 0.143 4.330 4.170 0.028 0.000 0.285 1197 I C 0.766 176.864 176.117 -0.032 0.000 1.106 1197 I CA 1.038 62.316 61.300 -0.036 0.000 1.402 1197 I CB -0.261 37.696 38.000 -0.072 0.000 1.399 1197 I HN 0.430 nan 8.210 nan 0.000 0.535 1198 S N 4.162 119.881 115.700 0.032 0.000 2.636 1198 S HA 0.355 4.842 4.470 0.028 0.000 0.268 1198 S C -1.481 173.124 174.600 0.009 0.000 1.159 1198 S CA -1.088 57.099 58.200 -0.023 0.000 0.815 1198 S CB 2.368 65.516 63.200 -0.087 0.000 1.130 1198 S HN 0.571 nan 8.310 nan 0.000 0.471 1199 D N 1.028 121.428 120.400 -0.001 0.000 2.462 1199 D HA 0.540 5.197 4.640 0.028 0.000 0.245 1199 D C -1.197 175.112 176.300 0.016 0.000 1.122 1199 D CA 0.053 54.072 54.000 0.033 0.000 0.864 1199 D CB 1.851 42.678 40.800 0.047 0.000 1.098 1199 D HN 0.548 nan 8.370 nan 0.000 0.541 1200 S N 2.865 118.577 115.700 0.020 0.000 2.482 1200 S HA 0.185 4.671 4.470 0.028 0.000 0.303 1200 S C 0.665 175.292 174.600 0.045 0.000 1.091 1200 S CA -0.622 57.603 58.200 0.041 0.000 1.057 1200 S CB 1.791 65.048 63.200 0.094 0.000 1.031 1200 S HN 0.396 nan 8.310 nan 0.000 0.485 1201 D N 2.746 123.156 120.400 0.017 0.000 2.350 1201 D HA -0.013 4.644 4.640 0.028 0.000 0.216 1201 D C 1.284 177.519 176.300 -0.108 0.000 0.968 1201 D CA 1.105 55.095 54.000 -0.017 0.000 0.894 1201 D CB 0.293 41.098 40.800 0.008 0.000 0.909 1201 D HN 0.738 nan 8.370 nan 0.000 0.520 1202 E N -1.259 118.865 120.200 -0.126 0.000 2.385 1202 E HA 0.063 4.430 4.350 0.028 0.000 0.194 1202 E C -0.313 175.816 176.600 -0.784 0.000 1.013 1202 E CA 0.172 56.347 56.400 -0.376 0.000 0.866 1202 E CB 0.417 29.944 29.700 -0.288 0.000 0.832 1202 E HN 0.262 nan 8.360 nan 0.000 0.500 1203 F N -0.164 119.607 119.950 -0.298 0.000 2.520 1203 F HA 0.320 4.864 4.527 0.028 0.000 0.322 1203 F C -0.393 175.328 175.800 -0.131 0.000 1.103 1203 F CA -1.280 56.565 58.000 -0.257 0.000 0.926 1203 F CB 0.973 39.851 39.000 -0.203 0.000 1.154 1203 F HN -0.176 nan 8.300 nan 0.000 0.453 1204 Y N 1.762 122.205 120.300 0.240 0.000 2.359 1204 Y HA 0.157 4.724 4.550 0.028 0.000 0.330 1204 Y C 1.002 177.256 175.900 0.589 0.000 1.143 1204 Y CA -0.566 57.724 58.100 0.317 0.000 1.318 1204 Y CB 0.642 39.252 38.460 0.251 0.000 1.234 1204 Y HN 0.581 nan 8.280 nan 0.000 0.522 1205 N N -1.806 117.342 118.700 0.747 0.000 2.166 1205 N HA 0.079 4.835 4.740 0.028 0.000 0.213 1205 N C -0.502 175.369 175.510 0.602 0.000 1.222 1205 N CA -0.105 53.358 53.050 0.687 0.000 0.900 1205 N CB 0.354 39.190 38.487 0.581 0.000 1.055 1205 N HN 0.314 nan 8.380 nan 0.000 0.515 1206 T N 1.461 116.324 114.554 0.515 0.000 2.767 1206 T HA 0.494 4.861 4.350 0.028 0.000 0.284 1206 T C -0.196 174.498 174.700 -0.011 0.000 0.973 1206 T CA -0.378 61.873 62.100 0.252 0.000 0.996 1206 T CB 1.166 70.138 68.868 0.174 0.000 0.927 1206 T HN 0.074 nan 8.240 nan 0.000 0.456 1207 I N 2.634 123.120 120.570 -0.141 0.000 2.493 1207 I HA 0.391 4.577 4.170 0.028 0.000 0.298 1207 I C 0.106 176.150 176.117 -0.121 0.000 0.998 1207 I CA -0.876 60.221 61.300 -0.338 0.000 1.137 1207 I CB 2.122 39.875 38.000 -0.411 0.000 1.310 1207 I HN 0.445 nan 8.210 nan 0.000 0.445 1208 Q N 6.085 125.798 119.800 -0.145 0.000 2.348 1208 Q HA 0.467 4.823 4.340 0.028 0.000 0.265 1208 Q C -1.021 174.855 176.000 -0.205 0.000 0.998 1208 Q CA -0.669 54.986 55.803 -0.246 0.000 0.831 1208 Q CB 1.940 30.501 28.738 -0.295 0.000 1.251 1208 Q HN 0.652 nan 8.270 nan 0.000 0.456 1209 I N 4.427 124.872 120.570 -0.207 0.000 2.496 1209 I HA 0.190 4.377 4.170 0.028 0.000 0.285 1209 I C -0.775 175.224 176.117 -0.198 0.000 1.080 1209 I CA -0.019 61.190 61.300 -0.151 0.000 1.404 1209 I CB 0.175 38.094 38.000 -0.135 0.000 1.403 1209 I HN 0.566 nan 8.210 nan 0.000 0.539 1210 K N 5.594 125.878 120.400 -0.193 0.000 2.346 1210 K HA 0.524 4.860 4.320 0.028 0.000 0.238 1210 K C -1.211 175.198 176.600 -0.319 0.000 1.039 1210 K CA -0.867 55.210 56.287 -0.350 0.000 0.861 1210 K CB 1.591 33.717 32.500 -0.623 0.000 1.278 1210 K HN 0.387 nan 8.250 nan 0.000 0.460 1211 E N 0.580 120.517 120.200 -0.440 0.000 2.528 1211 E HA 0.227 4.593 4.350 0.028 0.000 0.277 1211 E C -1.002 175.371 176.600 -0.378 0.000 0.980 1211 E CA -0.073 56.137 56.400 -0.315 0.000 0.796 1211 E CB 0.147 29.717 29.700 -0.217 0.000 1.427 1211 E HN 0.498 nan 8.360 nan 0.000 0.394 1212 Y N 0.811 120.972 120.300 -0.232 0.000 2.490 1212 Y HA 0.190 4.757 4.550 0.028 0.000 0.285 1212 Y C 0.881 176.488 175.900 -0.489 0.000 1.117 1212 Y CA 0.093 58.043 58.100 -0.250 0.000 1.262 1212 Y CB 0.427 38.836 38.460 -0.086 0.000 1.043 1212 Y HN 0.402 nan 8.280 nan 0.000 0.553 1213 D N 1.166 121.150 120.400 -0.693 0.000 2.390 1213 D HA -0.018 4.639 4.640 0.028 0.000 0.249 1213 D C 0.544 176.691 176.300 -0.256 0.000 1.144 1213 D CA 0.374 53.944 54.000 -0.716 0.000 0.880 1213 D CB 0.960 41.362 40.800 -0.663 0.000 1.182 1213 D HN 0.403 nan 8.370 nan 0.000 0.451 1214 E N 1.628 121.753 120.200 -0.124 0.000 2.340 1214 E HA -0.026 4.341 4.350 0.028 0.000 0.194 1214 E C 0.268 176.842 176.600 -0.043 0.000 0.996 1214 E CA 0.055 56.420 56.400 -0.058 0.000 0.869 1214 E CB 0.440 30.129 29.700 -0.019 0.000 0.835 1214 E HN 0.456 nan 8.360 nan 0.000 0.493 1215 Q N 0.822 120.601 119.800 -0.035 0.000 2.212 1215 Q HA 0.302 4.658 4.340 0.028 0.000 0.238 1215 Q C -2.364 173.605 176.000 -0.052 0.000 0.955 1215 Q CA -2.468 53.323 55.803 -0.020 0.000 0.906 1215 Q CB 0.012 28.770 28.738 0.034 0.000 1.215 1215 Q HN -0.080 nan 8.270 nan 0.000 0.478 1216 P HA 0.062 nan 4.420 nan 0.000 0.264 1216 P C -0.547 176.705 177.300 -0.080 0.000 1.193 1216 P CA 0.540 63.564 63.100 -0.126 0.000 0.763 1216 P CB 0.568 32.081 31.700 -0.310 0.000 0.810 1217 T N 2.096 116.594 114.554 -0.093 0.000 2.827 1217 T HA 0.351 4.717 4.350 0.028 0.000 0.328 1217 T C -0.741 173.968 174.700 0.014 0.000 1.598 1217 T CA -0.293 61.740 62.100 -0.111 0.000 1.043 1217 T CB 0.360 69.213 68.868 -0.025 0.000 1.447 1217 T HN 0.053 nan 8.240 nan 0.000 0.491 1218 Y N 0.811 121.122 120.300 0.018 0.000 2.467 1218 Y HA 0.467 5.033 4.550 0.027 0.000 0.250 1218 Y C 1.573 177.496 175.900 0.038 0.000 1.155 1218 Y CA -0.676 57.428 58.100 0.007 0.000 1.249 1218 Y CB 0.045 38.483 38.460 -0.037 0.000 1.146 1218 Y HN 0.366 nan 8.280 nan 0.000 0.524 1219 S N 0.630 116.439 115.700 0.183 0.000 2.592 1219 S HA 0.453 4.940 4.470 0.028 0.000 0.271 1219 S C 0.199 174.879 174.600 0.134 0.000 1.326 1219 S CA -0.406 57.895 58.200 0.169 0.000 1.024 1219 S CB 0.819 64.110 63.200 0.151 0.000 0.921 1219 S HN 0.434 nan 8.310 nan 0.000 0.527 1220 C N 1.683 121.081 119.300 0.163 0.000 3.236 1220 C HA 0.864 5.341 4.460 0.028 0.000 0.312 1220 C C -1.496 173.613 174.990 0.197 0.000 1.374 1220 C CA -0.999 58.097 59.018 0.130 0.000 1.455 1220 C CB 0.702 28.521 27.740 0.132 0.000 1.834 1220 C HN 0.716 nan 8.230 nan 0.000 0.460 1221 Q N 0.412 120.306 119.800 0.156 0.000 2.399 1221 Q HA 0.842 5.199 4.340 0.028 0.000 0.276 1221 Q C -1.308 174.787 176.000 0.158 0.000 1.098 1221 Q CA -0.389 55.558 55.803 0.240 0.000 0.827 1221 Q CB 1.847 30.795 28.738 0.349 0.000 1.386 1221 Q HN 0.735 nan 8.270 nan 0.000 0.443 1222 L N 1.896 123.227 121.223 0.179 0.000 2.343 1222 L HA 0.574 4.931 4.340 0.028 0.000 0.278 1222 L C -1.243 175.673 176.870 0.076 0.000 0.996 1222 L CA -0.835 54.039 54.840 0.057 0.000 0.831 1222 L CB 1.161 43.211 42.059 -0.015 0.000 1.232 1222 L HN 0.391 nan 8.230 nan 0.000 0.413 1223 L N 2.904 124.139 121.223 0.020 0.000 2.325 1223 L HA 0.614 4.971 4.340 0.028 0.000 0.278 1223 L C -1.300 175.559 176.870 -0.018 0.000 1.023 1223 L CA 0.148 55.042 54.840 0.090 0.000 0.811 1223 L CB 1.431 43.573 42.059 0.138 0.000 1.249 1223 L HN 0.253 nan 8.230 nan 0.000 0.431 1224 F N 4.493 124.504 119.950 0.101 0.000 2.388 1224 F HA 0.505 5.049 4.527 0.028 0.000 0.358 1224 F C 0.240 176.022 175.800 -0.030 0.000 1.122 1224 F CA -0.393 57.638 58.000 0.052 0.000 1.056 1224 F CB 1.168 40.206 39.000 0.063 0.000 1.155 1224 F HN 0.368 nan 8.300 nan 0.000 0.461 1225 K N 2.765 123.231 120.400 0.110 0.000 2.166 1225 K HA 0.288 4.624 4.320 0.028 0.000 0.245 1225 K C 0.844 177.337 176.600 -0.179 0.000 0.967 1225 K CA -0.996 55.295 56.287 0.007 0.000 0.863 1225 K CB 2.232 34.784 32.500 0.085 0.000 1.107 1225 K HN 0.489 nan 8.250 nan 0.000 0.436 1226 K N 0.984 121.264 120.400 -0.200 0.000 2.113 1226 K HA -0.176 4.161 4.320 0.028 0.000 0.208 1226 K C -0.024 176.554 176.600 -0.036 0.000 1.047 1226 K CA 2.002 58.160 56.287 -0.215 0.000 0.928 1226 K CB 0.153 32.633 32.500 -0.035 0.000 0.716 1226 K HN 0.788 nan 8.250 nan 0.000 0.446 1227 D N -3.237 117.152 120.400 -0.017 0.000 2.728 1227 D HA -0.018 4.638 4.640 0.028 0.000 0.249 1227 D C -0.264 175.990 176.300 -0.077 0.000 1.225 1227 D CA -0.418 53.570 54.000 -0.020 0.000 0.748 1227 D CB 0.632 41.437 40.800 0.008 0.000 1.326 1227 D HN -0.192 nan 8.370 nan 0.000 0.426 1228 E N 0.882 120.929 120.200 -0.254 0.000 2.108 1228 E HA -0.259 4.107 4.350 0.028 0.000 0.203 1228 E C 1.492 178.044 176.600 -0.081 0.000 1.022 1228 E CA 2.608 58.757 56.400 -0.418 0.000 0.823 1228 E CB -0.045 29.178 29.700 -0.796 0.000 0.744 1228 E HN 0.565 nan 8.360 nan 0.000 0.456 1229 E N 0.560 120.721 120.200 -0.066 0.000 2.047 1229 E HA -0.063 4.303 4.350 0.028 0.000 0.191 1229 E C 1.016 177.627 176.600 0.019 0.000 0.987 1229 E CA 0.838 57.234 56.400 -0.007 0.000 0.799 1229 E CB -0.181 29.511 29.700 -0.013 0.000 0.752 1229 E HN 0.215 nan 8.360 nan 0.000 0.449 1230 S N 0.601 116.310 115.700 0.015 0.000 2.587 1230 S HA 0.008 4.494 4.470 0.028 0.000 0.260 1230 S C 0.925 175.547 174.600 0.036 0.000 1.353 1230 S CA 0.222 58.436 58.200 0.023 0.000 0.995 1230 S CB 0.909 64.121 63.200 0.020 0.000 0.912 1230 S HN 0.251 nan 8.310 nan 0.000 0.568 1231 T N -2.731 111.843 114.554 0.033 0.000 3.215 1231 T HA 0.247 4.613 4.350 0.028 0.000 0.271 1231 T C -0.260 174.460 174.700 0.035 0.000 1.012 1231 T CA -0.496 61.628 62.100 0.040 0.000 0.899 1231 T CB -0.304 68.585 68.868 0.035 0.000 1.089 1231 T HN 0.610 nan 8.240 nan 0.000 0.552 1232 D N 2.847 123.262 120.400 0.026 0.000 2.422 1232 D HA 0.122 4.779 4.640 0.028 0.000 0.227 1232 D C -0.337 175.969 176.300 0.011 0.000 1.190 1232 D CA -0.087 53.921 54.000 0.014 0.000 0.905 1232 D CB 0.657 41.461 40.800 0.006 0.000 1.034 1232 D HN 0.504 nan 8.370 nan 0.000 0.507 1233 E N 4.307 124.527 120.200 0.034 0.000 2.152 1233 E HA 0.086 4.453 4.350 0.028 0.000 0.285 1233 E C 1.230 177.870 176.600 0.067 0.000 1.043 1233 E CA -0.646 55.791 56.400 0.062 0.000 0.839 1233 E CB 1.669 31.422 29.700 0.088 0.000 1.069 1233 E HN 0.438 nan 8.360 nan 0.000 0.399 1234 I N 1.821 122.436 120.570 0.075 0.000 2.353 1234 I HA 0.027 4.214 4.170 0.028 0.000 0.248 1234 I C 1.219 177.490 176.117 0.256 0.000 1.119 1234 I CA 1.093 62.474 61.300 0.133 0.000 1.417 1234 I CB -1.265 36.793 38.000 0.097 0.000 1.078 1234 I HN 0.694 nan 8.210 nan 0.000 0.421 1235 G N 0.343 109.306 108.800 0.271 0.000 2.359 1235 G HA2 0.278 4.255 3.960 0.028 0.000 0.293 1235 G HA3 0.278 4.255 3.960 0.028 0.000 0.293 1235 G C -1.520 173.596 174.900 0.358 0.000 1.300 1235 G CA -0.868 44.419 45.100 0.311 0.000 0.888 1235 G HN 0.016 nan 8.290 nan 0.000 0.541 1236 L N 0.139 121.603 121.223 0.402 0.000 2.333 1236 L HA 0.614 4.970 4.340 0.028 0.000 0.269 1236 L C 0.369 177.478 176.870 0.399 0.000 1.010 1236 L CA -1.099 53.965 54.840 0.374 0.000 0.818 1236 L CB 2.003 44.239 42.059 0.294 0.000 1.306 1236 L HN 0.457 nan 8.230 nan 0.000 0.430 1237 I N 1.293 122.058 120.570 0.325 0.000 2.471 1237 I HA 0.368 4.554 4.170 0.028 0.000 0.286 1237 I C 0.716 177.151 176.117 0.529 0.000 1.079 1237 I CA 0.383 61.871 61.300 0.314 0.000 1.398 1237 I CB 0.842 38.893 38.000 0.085 0.000 1.403 1237 I HN 0.763 nan 8.210 nan 0.000 0.530 1238 G N 6.668 115.817 108.800 0.581 0.000 2.772 1238 G HA2 0.669 4.645 3.960 0.028 0.000 0.284 1238 G HA3 0.669 4.645 3.960 0.028 0.000 0.284 1238 G C -1.248 174.047 174.900 0.658 0.000 1.217 1238 G CA -0.555 44.891 45.100 0.576 0.000 0.831 1238 G HN 0.399 nan 8.290 nan 0.000 0.523 1239 I N 0.314 121.181 120.570 0.496 0.000 2.545 1239 I HA 0.458 4.645 4.170 0.028 0.000 0.292 1239 I C -1.076 175.277 176.117 0.393 0.000 1.040 1239 I CA -0.683 60.874 61.300 0.428 0.000 1.068 1239 I CB 2.426 40.564 38.000 0.231 0.000 1.251 1239 I HN 0.616 nan 8.210 nan 0.000 0.424 1240 H N 5.226 124.479 119.070 0.305 0.000 2.768 1240 H HA 0.496 5.068 4.556 0.028 0.000 0.371 1240 H C -1.047 174.377 175.328 0.160 0.000 1.151 1240 H CA -0.729 55.390 56.048 0.119 0.000 1.165 1240 H CB 2.007 31.767 29.762 -0.004 0.000 1.722 1240 H HN 0.444 nan 8.280 nan 0.000 0.543 1241 R N 4.111 124.208 120.500 -0.670 0.000 2.265 1241 R HA 0.322 4.678 4.340 0.028 0.000 0.319 1241 R C -1.376 174.707 176.300 -0.363 0.000 1.006 1241 R CA -0.410 55.522 56.100 -0.280 0.000 0.880 1241 R CB 0.251 30.387 30.300 -0.274 0.000 1.077 1241 R HN 0.381 nan 8.270 nan 0.000 0.454 1242 F N 3.018 123.078 119.950 0.183 0.000 2.538 1242 F HA 0.305 4.849 4.527 0.027 0.000 0.325 1242 F C -0.386 175.608 175.800 0.323 0.000 1.066 1242 F CA -0.942 57.202 58.000 0.241 0.000 0.946 1242 F CB 1.020 40.123 39.000 0.172 0.000 1.199 1242 F HN 0.391 nan 8.300 nan 0.000 0.473 1243 Y N 1.878 122.358 120.300 0.300 0.000 2.320 1243 Y HA 0.472 5.038 4.550 0.028 0.000 0.334 1243 Y C -0.686 175.227 175.900 0.021 0.000 1.055 1243 Y CA -0.836 57.271 58.100 0.011 0.000 1.143 1243 Y CB 0.827 39.245 38.460 -0.071 0.000 1.193 1243 Y HN 0.608 nan 8.280 nan 0.000 0.477 1244 E N 3.484 123.275 120.200 -0.681 0.000 2.224 1244 E HA 0.359 4.726 4.350 0.028 0.000 0.265 1244 E C -1.359 174.798 176.600 -0.739 0.000 0.878 1244 E CA -0.782 55.326 56.400 -0.487 0.000 0.759 1244 E CB 1.862 31.456 29.700 -0.177 0.000 1.164 1244 E HN 0.441 nan 8.360 nan 0.000 0.414 1245 S N 2.173 117.580 115.700 -0.488 0.000 2.745 1245 S HA 0.602 5.088 4.470 0.028 0.000 0.283 1245 S C -0.417 174.115 174.600 -0.113 0.000 1.170 1245 S CA -0.501 57.509 58.200 -0.317 0.000 1.119 1245 S CB 0.651 63.728 63.200 -0.204 0.000 1.035 1245 S HN 0.629 nan 8.310 nan 0.000 0.483 1246 G N 2.459 111.225 108.800 -0.056 0.000 2.735 1246 G HA2 0.489 4.465 3.960 0.028 0.000 0.301 1246 G HA3 0.489 4.465 3.960 0.028 0.000 0.301 1246 G C 1.152 176.045 174.900 -0.011 0.000 1.279 1246 G CA -0.741 44.355 45.100 -0.007 0.000 1.019 1246 G HN 0.846 nan 8.290 nan 0.000 0.497 1247 I N -2.166 118.399 120.570 -0.008 0.000 2.315 1247 I HA -0.147 4.040 4.170 0.028 0.000 0.251 1247 I C 1.389 177.457 176.117 -0.083 0.000 1.125 1247 I CA 1.476 62.757 61.300 -0.032 0.000 1.392 1247 I CB -0.503 37.484 38.000 -0.021 0.000 1.065 1247 I HN 0.156 nan 8.210 nan 0.000 0.424 1248 V N -0.636 119.203 119.914 -0.124 0.000 2.996 1248 V HA 0.247 4.384 4.120 0.028 0.000 0.235 1248 V C 0.404 176.208 176.094 -0.483 0.000 1.205 1248 V CA 0.298 62.383 62.300 -0.358 0.000 1.225 1248 V CB 0.048 31.533 31.823 -0.565 0.000 0.995 1248 V HN 0.177 nan 8.190 nan 0.000 0.484 1249 F N 0.856 120.785 119.950 -0.036 0.000 2.450 1249 F HA 0.602 5.145 4.527 0.028 0.000 0.332 1249 F C 0.130 175.876 175.800 -0.091 0.000 1.093 1249 F CA -0.667 57.304 58.000 -0.048 0.000 1.003 1249 F CB 1.295 40.270 39.000 -0.041 0.000 1.151 1249 F HN -0.050 nan 8.300 nan 0.000 0.474 1250 E N 4.118 124.369 120.200 0.086 0.000 2.218 1250 E HA 0.475 4.841 4.350 0.028 0.000 0.263 1250 E C -1.289 175.272 176.600 -0.065 0.000 0.879 1250 E CA -0.368 55.993 56.400 -0.065 0.000 0.762 1250 E CB 1.592 31.286 29.700 -0.011 0.000 1.166 1250 E HN 0.903 nan 8.360 nan 0.000 0.415 1251 E N 2.966 123.019 120.200 -0.245 0.000 2.427 1251 E HA 0.165 4.532 4.350 0.028 0.000 0.279 1251 E C -1.586 174.868 176.600 -0.243 0.000 1.120 1251 E CA -0.816 55.501 56.400 -0.138 0.000 0.869 1251 E CB 0.474 30.182 29.700 0.013 0.000 1.393 1251 E HN 0.340 nan 8.360 nan 0.000 0.443 1252 Y N 0.447 120.821 120.300 0.123 0.000 2.387 1252 Y HA 0.563 5.130 4.550 0.028 0.000 0.336 1252 Y C 0.141 176.113 175.900 0.120 0.000 1.067 1252 Y CA -0.442 57.756 58.100 0.162 0.000 1.114 1252 Y CB 1.995 40.550 38.460 0.158 0.000 1.208 1252 Y HN 0.237 nan 8.280 nan 0.000 0.458 1253 K N 1.918 122.525 120.400 0.346 0.000 2.464 1253 K HA 0.335 4.672 4.320 0.028 0.000 0.253 1253 K C -1.834 174.988 176.600 0.369 0.000 0.933 1253 K CA -1.019 55.416 56.287 0.247 0.000 0.801 1253 K CB 2.157 34.781 32.500 0.205 0.000 1.271 1253 K HN 0.559 nan 8.250 nan 0.000 0.430 1254 D N 1.058 121.544 120.400 0.144 0.000 2.175 1254 D HA 0.363 5.020 4.640 0.028 0.000 0.248 1254 D C -1.037 175.324 176.300 0.101 0.000 1.047 1254 D CA 0.176 54.319 54.000 0.238 0.000 0.883 1254 D CB 0.722 41.583 40.800 0.101 0.000 1.180 1254 D HN 0.209 nan 8.370 nan 0.000 0.438 1255 Y N 0.323 120.833 120.300 0.350 0.000 2.545 1255 Y HA 0.337 4.904 4.550 0.028 0.000 0.348 1255 Y C -0.266 175.891 175.900 0.428 0.000 1.002 1255 Y CA -1.289 56.991 58.100 0.299 0.000 1.039 1255 Y CB 1.064 39.608 38.460 0.141 0.000 1.271 1255 Y HN 0.220 nan 8.280 nan 0.000 0.467 1256 F N 3.058 123.214 119.950 0.343 0.000 2.519 1256 F HA 0.334 4.878 4.527 0.027 0.000 0.375 1256 F C -0.274 175.730 175.800 0.340 0.000 1.084 1256 F CA -0.480 57.707 58.000 0.311 0.000 1.147 1256 F CB -0.634 38.484 39.000 0.197 0.000 1.088 1256 F HN 0.453 nan 8.300 nan 0.000 0.555 1257 C N 6.369 125.858 119.300 0.315 0.000 3.161 1257 C HA 0.651 5.128 4.460 0.028 0.000 0.330 1257 C C -0.148 174.921 174.990 0.131 0.000 1.396 1257 C CA -1.203 57.936 59.018 0.203 0.000 1.536 1257 C CB 1.942 29.906 27.740 0.372 0.000 1.978 1257 C HN 0.770 nan 8.230 nan 0.000 0.454 1258 I N 1.480 122.111 120.570 0.102 0.000 2.498 1258 I HA 0.623 4.810 4.170 0.028 0.000 0.290 1258 I C -0.703 175.527 176.117 0.188 0.000 1.032 1258 I CA 0.477 61.867 61.300 0.150 0.000 1.073 1258 I CB 1.504 39.494 38.000 -0.016 0.000 1.251 1258 I HN 0.675 nan 8.210 nan 0.000 0.426 1259 S N 5.375 121.280 115.700 0.340 0.000 2.540 1259 S HA 0.438 4.924 4.470 0.028 0.000 0.275 1259 S C 0.181 174.961 174.600 0.301 0.000 1.123 1259 S CA -0.717 57.630 58.200 0.245 0.000 0.907 1259 S CB 2.017 65.223 63.200 0.009 0.000 1.081 1259 S HN 0.788 nan 8.310 nan 0.000 0.476 1260 K N 2.060 122.608 120.400 0.246 0.000 2.365 1260 K HA 0.013 4.349 4.320 0.028 0.000 0.197 1260 K C 1.261 177.954 176.600 0.156 0.000 1.042 1260 K CA 0.525 56.931 56.287 0.199 0.000 0.987 1260 K CB -0.036 32.553 32.500 0.148 0.000 0.779 1260 K HN 0.752 nan 8.250 nan 0.000 0.484 1261 W N 0.927 122.180 121.300 -0.077 0.000 2.342 1261 W HA -0.242 4.434 4.660 0.028 0.000 0.297 1261 W C 1.195 177.660 176.519 -0.090 0.000 1.213 1261 W CA 1.551 58.812 57.345 -0.140 0.000 1.251 1261 W CB -0.218 29.080 29.460 -0.271 0.000 1.136 1261 W HN 0.039 nan 8.180 nan 0.000 0.526 1262 Y N 0.306 120.673 120.300 0.112 0.000 2.333 1262 Y HA -0.204 4.362 4.550 0.028 0.000 0.290 1262 Y C 2.396 178.159 175.900 -0.230 0.000 1.144 1262 Y CA 1.486 59.524 58.100 -0.103 0.000 1.228 1262 Y CB -1.273 37.247 38.460 0.099 0.000 0.985 1262 Y HN -0.054 nan 8.280 nan 0.000 0.542 1263 L N 0.538 121.767 121.223 0.010 0.000 2.051 1263 L HA -0.314 4.042 4.340 0.028 0.000 0.214 1263 L C 2.448 179.209 176.870 -0.181 0.000 1.076 1263 L CA 2.290 57.085 54.840 -0.075 0.000 0.758 1263 L CB -0.639 41.418 42.059 -0.004 0.000 0.890 1263 L HN 0.326 nan 8.230 nan 0.000 0.433 1264 K N -1.117 119.144 120.400 -0.232 0.000 2.186 1264 K HA -0.065 4.272 4.320 0.028 0.000 0.202 1264 K C 1.728 178.143 176.600 -0.309 0.000 1.052 1264 K CA 0.563 56.703 56.287 -0.245 0.000 0.965 1264 K CB -0.137 32.221 32.500 -0.238 0.000 0.746 1264 K HN 0.121 nan 8.250 nan 0.000 0.457 1265 E N 1.734 121.661 120.200 -0.455 0.000 2.077 1265 E HA -0.137 4.230 4.350 0.028 0.000 0.193 1265 E C 2.264 178.687 176.600 -0.295 0.000 0.989 1265 E CA 1.736 57.862 56.400 -0.456 0.000 0.800 1265 E CB -0.399 28.891 29.700 -0.683 0.000 0.746 1265 E HN 0.404 nan 8.360 nan 0.000 0.452 1266 V N -0.964 118.791 119.914 -0.264 0.000 3.241 1266 V HA -0.094 4.043 4.120 0.028 0.000 0.269 1266 V C 1.718 177.784 176.094 -0.045 0.000 1.151 1266 V CA 1.291 63.501 62.300 -0.149 0.000 1.158 1266 V CB -0.570 30.983 31.823 -0.452 0.000 0.764 1266 V HN 0.053 nan 8.190 nan 0.000 0.508 1267 K N 0.116 120.447 120.400 -0.115 0.000 2.262 1267 K HA 0.181 4.517 4.320 0.028 0.000 0.200 1267 K C 0.956 177.550 176.600 -0.010 0.000 1.049 1267 K CA -0.106 56.157 56.287 -0.040 0.000 0.979 1267 K CB 0.058 32.517 32.500 -0.069 0.000 0.773 1267 K HN 0.462 nan 8.250 nan 0.000 0.474 1268 R N 1.865 122.330 120.500 -0.058 0.000 2.697 1268 R HA 0.027 4.383 4.340 0.028 0.000 0.265 1268 R C -0.162 176.140 176.300 0.004 0.000 1.009 1268 R CA 0.610 56.681 56.100 -0.049 0.000 1.099 1268 R CB 0.291 30.532 30.300 -0.098 0.000 0.965 1268 R HN -0.134 nan 8.270 nan 0.000 0.428 1269 K N 3.238 123.643 120.400 0.008 0.000 2.324 1269 K HA 0.367 4.704 4.320 0.028 0.000 0.253 1269 K C -1.959 174.650 176.600 0.014 0.000 0.932 1269 K CA -1.729 54.578 56.287 0.034 0.000 0.799 1269 K CB 1.664 34.184 32.500 0.034 0.000 1.154 1269 K HN 0.559 nan 8.250 nan 0.000 0.425 1270 P HA 0.123 nan 4.420 nan 0.000 0.274 1270 P C -0.568 176.772 177.300 0.067 0.000 1.237 1270 P CA -0.434 62.700 63.100 0.056 0.000 0.793 1270 P CB 0.427 32.155 31.700 0.047 0.000 0.977 1271 Y N 1.827 122.129 120.300 0.003 0.000 2.717 1271 Y HA -0.029 4.538 4.550 0.028 0.000 0.330 1271 Y C 0.851 176.752 175.900 0.002 0.000 1.217 1271 Y CA 0.060 58.162 58.100 0.003 0.000 1.506 1271 Y CB -0.026 38.446 38.460 0.020 0.000 1.268 1271 Y HN 0.307 nan 8.280 nan 0.000 0.561 1272 N N 6.631 124.912 118.700 -0.698 0.000 2.415 1272 N HA 0.049 4.806 4.740 0.028 0.000 0.250 1272 N C 0.421 175.638 175.510 -0.488 0.000 1.127 1272 N CA 0.266 53.044 53.050 -0.454 0.000 0.945 1272 N CB 0.161 38.439 38.487 -0.350 0.000 1.196 1272 N HN 0.914 nan 8.380 nan 0.000 0.499 1273 L N 2.280 123.408 121.223 -0.158 0.000 2.275 1273 L HA -0.034 4.323 4.340 0.028 0.000 0.215 1273 L C 1.728 178.570 176.870 -0.047 0.000 1.119 1273 L CA 0.715 55.552 54.840 -0.006 0.000 0.790 1273 L CB -0.106 41.991 42.059 0.064 0.000 0.919 1273 L HN 0.304 nan 8.230 nan 0.000 0.443 1274 K N 0.509 120.864 120.400 -0.074 0.000 2.487 1274 K HA 0.166 4.503 4.320 0.028 0.000 0.192 1274 K C 0.604 177.165 176.600 -0.066 0.000 1.027 1274 K CA 0.125 56.375 56.287 -0.061 0.000 1.054 1274 K CB -0.202 32.277 32.500 -0.036 0.000 0.824 1274 K HN 0.288 nan 8.250 nan 0.000 0.510 1275 L N 0.480 121.650 121.223 -0.088 0.000 2.485 1275 L HA -0.012 4.345 4.340 0.028 0.000 0.275 1275 L C 1.722 178.537 176.870 -0.092 0.000 1.207 1275 L CA -0.034 54.796 54.840 -0.017 0.000 0.855 1275 L CB 0.464 42.478 42.059 -0.075 0.000 1.114 1275 L HN 0.186 nan 8.230 nan 0.000 0.485 1276 G N 1.316 110.139 108.800 0.037 0.000 2.708 1276 G HA2 -0.159 3.817 3.960 0.028 0.000 0.210 1276 G HA3 -0.159 3.817 3.960 0.028 0.000 0.210 1276 G C 1.122 175.733 174.900 -0.481 0.000 1.141 1276 G CA 0.580 45.602 45.100 -0.130 0.000 0.788 1276 G HN 0.896 nan 8.290 nan 0.000 0.531 1277 C N -1.337 117.566 119.300 -0.661 0.000 2.754 1277 C HA 0.378 4.855 4.460 0.028 0.000 0.276 1277 C C 0.550 175.351 174.990 -0.316 0.000 1.264 1277 C CA -1.746 56.887 59.018 -0.640 0.000 1.700 1277 C CB -1.655 25.532 27.740 -0.921 0.000 1.885 1277 C HN 0.223 nan 8.230 nan 0.000 0.607 1278 N N 0.746 119.214 118.700 -0.388 0.000 2.414 1278 N HA 0.437 5.194 4.740 0.028 0.000 0.256 1278 N C -1.140 174.143 175.510 -0.379 0.000 1.029 1278 N CA -0.159 52.785 53.050 -0.178 0.000 0.948 1278 N CB 0.585 39.040 38.487 -0.053 0.000 1.102 1278 N HN 0.561 nan 8.380 nan 0.000 0.496 1279 W N 0.973 122.243 121.300 -0.049 0.000 2.719 1279 W HA 0.487 5.163 4.660 0.027 0.000 0.352 1279 W C -0.117 176.344 176.519 -0.097 0.000 1.085 1279 W CA -0.606 56.653 57.345 -0.144 0.000 1.187 1279 W CB 1.236 30.524 29.460 -0.287 0.000 1.417 1279 W HN 0.147 nan 8.180 nan 0.000 0.557 1280 Q N 1.017 120.907 119.800 0.150 0.000 2.359 1280 Q HA 0.470 4.827 4.340 0.028 0.000 0.274 1280 Q C -1.626 174.281 176.000 -0.155 0.000 1.074 1280 Q CA -1.037 54.844 55.803 0.130 0.000 0.810 1280 Q CB 2.655 31.633 28.738 0.400 0.000 1.342 1280 Q HN 0.300 nan 8.270 nan 0.000 0.427 1281 F N 2.162 122.067 119.950 -0.076 0.000 2.415 1281 F HA 0.483 5.027 4.527 0.028 0.000 0.348 1281 F C 0.011 175.682 175.800 -0.215 0.000 1.119 1281 F CA -0.561 57.281 58.000 -0.263 0.000 1.069 1281 F CB 0.888 39.388 39.000 -0.834 0.000 1.124 1281 F HN 0.275 nan 8.300 nan 0.000 0.472 1282 I N 6.223 126.867 120.570 0.122 0.000 2.359 1282 I HA 0.327 4.514 4.170 0.028 0.000 0.284 1282 I C -2.463 173.966 176.117 0.520 0.000 1.018 1282 I CA -1.970 59.372 61.300 0.070 0.000 1.173 1282 I CB 1.320 39.151 38.000 -0.282 0.000 1.326 1282 I HN 0.282 nan 8.210 nan 0.000 0.462 1283 P HA 0.255 nan 4.420 nan 0.000 0.287 1283 P C -0.953 176.708 177.300 0.601 0.000 1.279 1283 P CA -0.860 62.584 63.100 0.573 0.000 0.867 1283 P CB 1.215 33.203 31.700 0.480 0.000 1.127 1284 K N 1.514 122.069 120.400 0.259 0.000 2.489 1284 K HA 0.083 4.420 4.320 0.028 0.000 0.278 1284 K C -0.219 176.508 176.600 0.212 0.000 1.000 1284 K CA 0.942 57.232 56.287 0.006 0.000 1.012 1284 K CB -0.389 32.003 32.500 -0.180 0.000 0.903 1284 K HN 0.583 nan 8.250 nan 0.000 0.485 1285 D N 0.151 120.715 120.400 0.274 0.000 2.934 1285 D HA 0.035 4.692 4.640 0.028 0.000 0.230 1285 D C 0.823 177.186 176.300 0.105 0.000 1.204 1285 D CA -0.462 53.587 54.000 0.080 0.000 0.873 1285 D CB 1.076 41.679 40.800 -0.328 0.000 1.645 1285 D HN 0.488 nan 8.370 nan 0.000 0.502 1286 E N 1.703 121.953 120.200 0.084 0.000 2.265 1286 E HA -0.102 4.265 4.350 0.028 0.000 0.196 1286 E C 1.441 178.171 176.600 0.218 0.000 0.996 1286 E CA 0.923 57.410 56.400 0.145 0.000 0.832 1286 E CB -0.083 29.686 29.700 0.115 0.000 0.756 1286 E HN 0.437 nan 8.360 nan 0.000 0.491 1287 G N 0.260 109.169 108.800 0.182 0.000 2.848 1287 G HA2 -0.130 3.847 3.960 0.028 0.000 0.208 1287 G HA3 -0.130 3.847 3.960 0.028 0.000 0.208 1287 G C -0.450 174.414 174.900 -0.059 0.000 1.152 1287 G CA -0.264 44.895 45.100 0.098 0.000 0.789 1287 G HN 0.311 nan 8.290 nan 0.000 0.531 1288 W N 2.220 123.399 121.300 -0.201 0.000 2.802 1288 W HA 0.465 5.142 4.660 0.027 0.000 0.331 1288 W C -0.954 175.549 176.519 -0.026 0.000 1.021 1288 W CA -0.691 56.534 57.345 -0.200 0.000 1.259 1288 W CB 1.434 30.746 29.460 -0.247 0.000 1.323 1288 W HN 0.026 nan 8.180 nan 0.000 0.432 1289 T N 2.041 116.316 114.554 -0.464 0.000 2.863 1289 T HA 0.747 5.113 4.350 0.028 0.000 0.285 1289 T C -0.473 173.977 174.700 -0.416 0.000 1.009 1289 T CA -0.510 61.475 62.100 -0.192 0.000 0.989 1289 T CB 2.924 71.726 68.868 -0.110 0.000 1.004 1289 T HN 0.547 nan 8.240 nan 0.000 0.455 1290 E N 0.000 120.153 120.200 -0.078 0.000 2.725 1290 E HA 0.000 4.367 4.350 0.028 0.000 0.291 1290 E CA 0.000 56.414 56.400 0.024 0.000 0.976 1290 E CB 0.000 29.782 29.700 0.136 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440