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 1s0e_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 0.000 177.303 177.300 0.005 0.000 1.155 1 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1 P CB 0.000 31.701 31.700 0.002 0.000 0.726 2 V N 0.532 120.453 119.914 0.011 0.000 2.417 2 V HA 0.490 4.614 4.120 0.007 0.000 0.291 2 V C 0.150 176.251 176.094 0.011 0.000 1.024 2 V CA -0.082 62.227 62.300 0.015 0.000 0.861 2 V CB 1.729 33.572 31.823 0.034 0.000 0.985 2 V HN 0.716 nan 8.190 nan 0.000 0.436 3 T N 6.481 121.033 114.554 -0.003 0.000 2.749 3 T HA 0.516 4.870 4.350 0.007 0.000 0.287 3 T C -0.188 174.494 174.700 -0.029 0.000 0.970 3 T CA -0.252 61.838 62.100 -0.017 0.000 0.980 3 T CB 0.594 69.447 68.868 -0.025 0.000 0.924 3 T HN 0.280 nan 8.240 nan 0.000 0.456 4 I N 4.434 124.980 120.570 -0.039 0.000 2.307 4 I HA 0.266 4.441 4.170 0.007 0.000 0.289 4 I C 0.461 176.492 176.117 -0.144 0.000 1.021 4 I CA -0.897 60.354 61.300 -0.081 0.000 1.224 4 I CB 0.528 38.499 38.000 -0.047 0.000 1.376 4 I HN 0.522 nan 8.210 nan 0.000 0.470 5 N N 5.915 124.509 118.700 -0.176 0.000 2.444 5 N HA 0.202 4.946 4.740 0.007 0.000 0.255 5 N C -0.148 175.034 175.510 -0.547 0.000 1.255 5 N CA -0.046 52.873 53.050 -0.218 0.000 0.933 5 N CB 0.871 39.339 38.487 -0.033 0.000 1.143 5 N HN 0.473 nan 8.380 nan 0.000 0.453 6 N N 0.501 118.906 118.700 -0.492 0.000 2.319 6 N HA 0.607 5.351 4.740 0.007 0.000 0.305 6 N C -0.865 174.328 175.510 -0.528 0.000 1.103 6 N CA -0.230 52.447 53.050 -0.622 0.000 0.815 6 N CB 1.573 39.902 38.487 -0.263 0.000 1.288 6 N HN 0.404 nan 8.380 nan 0.000 0.493 7 F N -1.689 118.274 119.950 0.022 0.000 2.829 7 F HA 0.426 4.957 4.527 0.007 0.000 0.319 7 F C -1.315 174.504 175.800 0.031 0.000 1.153 7 F CA -1.262 56.778 58.000 0.066 0.000 0.912 7 F CB 0.682 39.788 39.000 0.176 0.000 1.292 7 F HN 0.124 nan 8.300 nan 0.000 0.447 8 N N 0.321 119.240 118.700 0.364 0.000 2.319 8 N HA 0.189 4.933 4.740 0.007 0.000 0.305 8 N C -0.012 175.654 175.510 0.260 0.000 1.103 8 N CA -0.646 52.547 53.050 0.238 0.000 0.815 8 N CB 1.857 40.447 38.487 0.171 0.000 1.288 8 N HN 0.864 nan 8.380 nan 0.000 0.493 9 Y N 1.958 122.293 120.300 0.059 0.000 2.193 9 Y HA -0.136 4.418 4.550 0.007 0.000 0.285 9 Y C 1.290 177.364 175.900 0.290 0.000 1.166 9 Y CA 1.833 60.002 58.100 0.116 0.000 1.181 9 Y CB 0.032 38.522 38.460 0.049 0.000 0.976 9 Y HN 0.496 nan 8.280 nan 0.000 0.520 10 N N 0.580 119.391 118.700 0.184 0.000 2.461 10 N HA -0.047 4.697 4.740 0.007 0.000 0.188 10 N C -0.496 175.051 175.510 0.062 0.000 1.134 10 N CA 0.433 53.536 53.050 0.088 0.000 0.878 10 N CB -0.351 38.209 38.487 0.121 0.000 0.972 10 N HN 0.335 nan 8.380 nan 0.000 0.456 11 D N 1.758 122.228 120.400 0.118 0.000 2.423 11 D HA 0.105 4.750 4.640 0.007 0.000 0.238 11 D C -2.093 174.215 176.300 0.013 0.000 1.142 11 D CA -0.851 53.207 54.000 0.097 0.000 0.884 11 D CB 0.374 41.280 40.800 0.177 0.000 1.199 11 D HN 0.061 nan 8.370 nan 0.000 0.438 12 P HA 0.118 nan 4.420 nan 0.000 0.271 12 P C -0.031 177.221 177.300 -0.079 0.000 1.218 12 P CA -0.173 62.902 63.100 -0.042 0.000 0.780 12 P CB 0.543 32.230 31.700 -0.020 0.000 0.901 13 I N 2.835 123.337 120.570 -0.112 0.000 2.618 13 I HA -0.017 4.157 4.170 0.007 0.000 0.284 13 I C 0.919 176.986 176.117 -0.083 0.000 1.146 13 I CA 0.732 61.950 61.300 -0.136 0.000 1.425 13 I CB 0.417 38.333 38.000 -0.141 0.000 1.383 13 I HN 0.486 nan 8.210 nan 0.000 0.562 14 D N 3.947 124.306 120.400 -0.068 0.000 2.503 14 D HA 0.016 4.660 4.640 0.007 0.000 0.218 14 D C 0.361 176.646 176.300 -0.025 0.000 1.183 14 D CA -0.306 53.673 54.000 -0.034 0.000 0.827 14 D CB 0.009 40.802 40.800 -0.011 0.000 1.034 14 D HN 0.491 nan 8.370 nan 0.000 0.510 15 N N 0.189 118.866 118.700 -0.038 0.000 2.778 15 N HA -0.249 4.495 4.740 0.007 0.000 0.249 15 N C 0.242 175.765 175.510 0.021 0.000 1.069 15 N CA 1.260 54.294 53.050 -0.026 0.000 0.831 15 N CB -1.601 36.866 38.487 -0.034 0.000 1.142 15 N HN 0.631 nan 8.380 nan 0.000 0.573 16 N N -0.280 118.450 118.700 0.050 0.000 3.251 16 N HA 0.130 4.874 4.740 0.007 0.000 0.227 16 N C 0.404 176.018 175.510 0.172 0.000 1.084 16 N CA -0.126 52.981 53.050 0.095 0.000 1.167 16 N CB 0.243 38.761 38.487 0.053 0.000 1.548 16 N HN -0.021 nan 8.380 nan 0.000 0.592 17 N N 0.374 119.130 118.700 0.093 0.000 2.325 17 N HA 0.289 5.033 4.740 0.007 0.000 0.182 17 N C -0.459 175.071 175.510 0.033 0.000 1.088 17 N CA 0.350 53.425 53.050 0.042 0.000 0.879 17 N CB 1.304 39.805 38.487 0.024 0.000 0.983 17 N HN 0.334 nan 8.380 nan 0.000 0.471 18 I N 2.182 122.748 120.570 -0.007 0.000 2.468 18 I HA 0.379 4.554 4.170 0.007 0.000 0.284 18 I C -0.422 175.598 176.117 -0.161 0.000 1.038 18 I CA -0.700 60.468 61.300 -0.220 0.000 1.083 18 I CB 1.518 39.332 38.000 -0.311 0.000 1.223 18 I HN -0.131 nan 8.210 nan 0.000 0.443 19 I N 2.227 122.689 120.570 -0.180 0.000 3.322 19 I HA 0.624 4.798 4.170 0.007 0.000 0.313 19 I C -1.231 174.768 176.117 -0.198 0.000 1.129 19 I CA -1.122 60.073 61.300 -0.175 0.000 0.963 19 I CB 2.506 40.392 38.000 -0.190 0.000 1.273 19 I HN 0.255 nan 8.210 nan 0.000 0.473 20 M N 3.610 123.134 119.600 -0.127 0.000 2.036 20 M HA 0.435 4.919 4.480 0.007 0.000 0.337 20 M C -0.622 175.739 176.300 0.101 0.000 1.012 20 M CA -0.357 54.930 55.300 -0.021 0.000 0.962 20 M CB 0.901 33.458 32.600 -0.072 0.000 1.423 20 M HN 0.709 nan 8.290 nan 0.000 0.405 21 M N 2.170 121.813 119.600 0.071 0.000 2.342 21 M HA 0.287 4.771 4.480 0.007 0.000 0.332 21 M C -0.240 176.109 176.300 0.081 0.000 1.166 21 M CA -0.084 55.220 55.300 0.007 0.000 1.086 21 M CB 1.276 33.742 32.600 -0.223 0.000 1.541 21 M HN 0.641 nan 8.290 nan 0.000 0.462 22 E N 4.946 125.092 120.200 -0.090 0.000 2.173 22 E HA 0.407 4.762 4.350 0.007 0.000 0.249 22 E C -2.440 174.069 176.600 -0.151 0.000 0.923 22 E CA -2.189 54.020 56.400 -0.319 0.000 0.754 22 E CB 0.818 30.260 29.700 -0.431 0.000 1.177 22 E HN 0.344 nan 8.360 nan 0.000 0.430 23 P HA -0.040 nan 4.420 nan 0.000 0.265 23 P C -2.228 174.941 177.300 -0.219 0.000 1.187 23 P CA -0.838 62.165 63.100 -0.162 0.000 0.766 23 P CB 0.406 32.003 31.700 -0.172 0.000 0.820 24 P HA -0.166 nan 4.420 nan 0.000 0.216 24 P C 0.862 178.092 177.300 -0.117 0.000 1.153 24 P CA 1.600 64.565 63.100 -0.224 0.000 0.858 24 P CB -0.268 31.209 31.700 -0.372 0.000 0.789 25 F N -1.695 117.992 119.950 -0.438 0.000 2.804 25 F HA 0.148 4.680 4.527 0.007 0.000 0.303 25 F C 1.973 177.621 175.800 -0.252 0.000 1.154 25 F CA -0.295 57.444 58.000 -0.435 0.000 1.401 25 F CB -0.100 38.474 39.000 -0.710 0.000 1.106 25 F HN -0.056 nan 8.300 nan 0.000 0.568 26 A N 0.367 123.177 122.820 -0.017 0.000 2.218 26 A HA 0.047 4.372 4.320 0.007 0.000 0.209 26 A C 1.405 178.987 177.584 -0.004 0.000 1.168 26 A CA -0.025 52.066 52.037 0.090 0.000 0.804 26 A CB -0.324 18.715 19.000 0.064 0.000 0.834 26 A HN 0.446 nan 8.150 nan 0.000 0.482 27 R N -2.355 118.151 120.500 0.011 0.000 3.758 27 R HA -0.223 4.122 4.340 0.007 0.000 0.299 27 R C 0.991 177.087 176.300 -0.340 0.000 1.182 27 R CA 0.492 56.582 56.100 -0.017 0.000 0.809 27 R CB -2.509 27.782 30.300 -0.015 0.000 1.249 27 R HN 1.525 nan 8.270 nan 0.000 0.497 28 G N -0.549 107.932 108.800 -0.532 0.000 2.168 28 G HA2 -0.396 3.568 3.960 0.007 0.000 0.257 28 G HA3 -0.396 3.568 3.960 0.007 0.000 0.257 28 G C 0.216 174.709 174.900 -0.678 0.000 0.997 28 G CA 1.102 45.459 45.100 -1.239 0.000 0.708 28 G HN 0.829 nan 8.290 nan 0.000 0.520 29 T N -3.616 110.724 114.554 -0.357 0.000 2.888 29 T HA 0.951 5.306 4.350 0.007 0.000 0.288 29 T C 1.134 175.772 174.700 -0.103 0.000 1.063 29 T CA 0.592 62.576 62.100 -0.194 0.000 1.010 29 T CB 2.233 71.020 68.868 -0.135 0.000 1.214 29 T HN 2.217 nan 8.240 nan 0.000 0.533 30 G N 1.547 110.321 108.800 -0.044 0.000 2.525 30 G HA2 -0.037 3.927 3.960 0.007 0.000 0.248 30 G HA3 -0.037 3.927 3.960 0.007 0.000 0.248 30 G C -0.320 174.595 174.900 0.025 0.000 1.238 30 G CA 0.241 45.340 45.100 -0.002 0.000 0.926 30 G HN 1.310 nan 8.290 nan 0.000 0.574 31 R N -1.250 119.271 120.500 0.035 0.000 2.700 31 R HA 0.798 5.142 4.340 0.007 0.000 0.253 31 R C -0.572 175.781 176.300 0.089 0.000 1.091 31 R CA -0.899 55.246 56.100 0.075 0.000 1.104 31 R CB 0.483 30.757 30.300 -0.042 0.000 1.202 31 R HN 0.589 nan 8.270 nan 0.000 0.532 32 Y N -0.831 119.466 120.300 -0.005 0.000 2.488 32 Y HA 0.410 4.965 4.550 0.007 0.000 0.325 32 Y C -0.641 175.281 175.900 0.037 0.000 1.204 32 Y CA -0.601 57.563 58.100 0.106 0.000 1.229 32 Y CB 1.216 39.695 38.460 0.031 0.000 1.274 32 Y HN 0.414 nan 8.280 nan 0.000 0.493 33 Y N 0.194 120.597 120.300 0.172 0.000 2.376 33 Y HA 0.322 4.876 4.550 0.007 0.000 0.340 33 Y C -0.048 175.887 175.900 0.059 0.000 0.965 33 Y CA -1.761 56.421 58.100 0.137 0.000 1.078 33 Y CB 1.550 40.123 38.460 0.189 0.000 1.193 33 Y HN 0.354 nan 8.280 nan 0.000 0.452 34 K N 2.552 123.049 120.400 0.161 0.000 2.402 34 K HA 0.574 4.898 4.320 0.007 0.000 0.285 34 K C -0.690 175.896 176.600 -0.025 0.000 1.054 34 K CA 0.041 56.301 56.287 -0.046 0.000 1.001 34 K CB 0.081 32.502 32.500 -0.131 0.000 0.946 34 K HN 0.816 nan 8.250 nan 0.000 0.473 35 A N 4.564 127.262 122.820 -0.202 0.000 2.374 35 A HA 0.688 5.013 4.320 0.007 0.000 0.317 35 A C -1.433 176.050 177.584 -0.168 0.000 1.094 35 A CA -0.773 51.254 52.037 -0.018 0.000 0.765 35 A CB 0.606 19.600 19.000 -0.010 0.000 1.268 35 A HN 0.598 nan 8.150 nan 0.000 0.438 36 F N 0.965 120.980 119.950 0.108 0.000 2.467 36 F HA 0.436 4.967 4.527 0.007 0.000 0.336 36 F C 0.531 176.192 175.800 -0.231 0.000 1.123 36 F CA -0.733 57.098 58.000 -0.283 0.000 0.964 36 F CB 2.059 40.451 39.000 -1.013 0.000 1.136 36 F HN 0.568 nan 8.300 nan 0.000 0.447 37 K N 4.318 124.484 120.400 -0.390 0.000 2.278 37 K HA 0.209 4.533 4.320 0.007 0.000 0.289 37 K C 0.966 177.469 176.600 -0.162 0.000 1.080 37 K CA 0.049 55.834 56.287 -0.837 0.000 0.934 37 K CB 0.298 32.112 32.500 -1.143 0.000 1.093 37 K HN 0.928 nan 8.250 nan 0.000 0.459 38 I N 3.091 123.577 120.570 -0.140 0.000 2.500 38 I HA -0.125 4.049 4.170 0.007 0.000 0.252 38 I C 0.385 176.382 176.117 -0.200 0.000 1.142 38 I CA 1.025 62.277 61.300 -0.080 0.000 1.451 38 I CB 0.355 38.124 38.000 -0.385 0.000 1.093 38 I HN 0.795 nan 8.210 nan 0.000 0.430 39 T N -3.197 111.213 114.554 -0.240 0.000 2.769 39 T HA 0.239 4.593 4.350 0.007 0.000 0.306 39 T C -0.985 173.592 174.700 -0.204 0.000 1.400 39 T CA -0.983 61.021 62.100 -0.159 0.000 1.007 39 T CB 1.178 70.008 68.868 -0.064 0.000 1.392 39 T HN -0.127 nan 8.240 nan 0.000 0.500 40 D N 1.641 121.962 120.400 -0.132 0.000 2.525 40 D HA 0.169 4.813 4.640 0.007 0.000 0.235 40 D C 0.941 177.180 176.300 -0.102 0.000 1.137 40 D CA 0.502 54.431 54.000 -0.119 0.000 0.868 40 D CB 0.295 41.059 40.800 -0.060 0.000 1.180 40 D HN 0.627 nan 8.370 nan 0.000 0.465 41 R N 0.315 120.767 120.500 -0.079 0.000 4.010 41 R HA -0.208 4.137 4.340 0.007 0.000 0.409 41 R C -0.217 176.099 176.300 0.026 0.000 1.120 41 R CA 0.766 56.890 56.100 0.041 0.000 1.244 41 R CB -2.123 28.213 30.300 0.060 0.000 1.799 41 R HN 0.568 nan 8.270 nan 0.000 0.559 42 I N 0.026 120.492 120.570 -0.174 0.000 2.436 42 I HA 0.357 4.531 4.170 0.007 0.000 0.289 42 I C -0.240 175.687 176.117 -0.316 0.000 1.010 42 I CA -0.674 60.570 61.300 -0.093 0.000 1.098 42 I CB 1.308 39.304 38.000 -0.007 0.000 1.266 42 I HN -0.130 nan 8.210 nan 0.000 0.434 43 W N 6.481 127.787 121.300 0.010 0.000 2.689 43 W HA 0.621 5.285 4.660 0.007 0.000 0.340 43 W C -0.654 175.868 176.519 0.005 0.000 1.060 43 W CA -0.592 56.751 57.345 -0.004 0.000 1.218 43 W CB 1.411 30.848 29.460 -0.040 0.000 1.410 43 W HN 0.048 nan 8.180 nan 0.000 0.528 44 I N 4.005 124.755 120.570 0.299 0.000 2.406 44 I HA 0.391 4.565 4.170 0.007 0.000 0.290 44 I C -0.520 175.792 176.117 0.325 0.000 0.999 44 I CA -1.235 60.232 61.300 0.279 0.000 1.124 44 I CB 1.264 39.431 38.000 0.280 0.000 1.289 44 I HN 0.373 nan 8.210 nan 0.000 0.441 45 I N 8.095 128.770 120.570 0.176 0.000 2.464 45 I HA 0.219 4.393 4.170 0.007 0.000 0.277 45 I C -2.014 174.231 176.117 0.212 0.000 1.040 45 I CA -1.536 59.868 61.300 0.173 0.000 1.153 45 I CB 2.134 40.026 38.000 -0.180 0.000 1.274 45 I HN 0.253 nan 8.210 nan 0.000 0.469 46 P HA 0.142 nan 4.420 nan 0.000 0.231 46 P C -0.585 176.606 177.300 -0.181 0.000 1.756 46 P CA 0.398 63.425 63.100 -0.121 0.000 0.990 46 P CB -0.015 31.723 31.700 0.063 0.000 1.973 47 E N 0.678 120.856 120.200 -0.036 0.000 2.413 47 E HA 0.368 4.722 4.350 0.007 0.000 0.277 47 E C -0.202 176.481 176.600 0.137 0.000 0.958 47 E CA -1.173 55.265 56.400 0.063 0.000 0.779 47 E CB 1.664 31.536 29.700 0.286 0.000 1.278 47 E HN 0.074 nan 8.360 nan 0.000 0.456 48 R N 0.992 121.543 120.500 0.085 0.000 2.679 48 R HA 0.062 4.407 4.340 0.007 0.000 0.268 48 R C -0.512 175.899 176.300 0.184 0.000 1.044 48 R CA 0.076 56.264 56.100 0.147 0.000 1.105 48 R CB -0.097 30.230 30.300 0.045 0.000 0.989 48 R HN 0.539 nan 8.270 nan 0.000 0.447 49 Y N 1.650 122.011 120.300 0.101 0.000 2.452 49 Y HA 0.011 4.565 4.550 0.007 0.000 0.348 49 Y C 1.117 177.058 175.900 0.069 0.000 0.985 49 Y CA 0.344 58.429 58.100 -0.025 0.000 1.214 49 Y CB 0.716 39.208 38.460 0.053 0.000 1.136 49 Y HN 0.674 nan 8.280 nan 0.000 0.523 50 T N 1.617 115.955 114.554 -0.361 0.000 3.010 50 T HA 0.221 4.575 4.350 0.007 0.000 0.257 50 T C 0.017 174.647 174.700 -0.116 0.000 1.020 50 T CA -0.292 61.768 62.100 -0.067 0.000 0.938 50 T CB -0.561 68.166 68.868 -0.235 0.000 1.049 50 T HN 0.334 nan 8.240 nan 0.000 0.522 51 F N 2.860 122.705 119.950 -0.176 0.000 2.557 51 F HA 0.445 4.976 4.527 0.007 0.000 0.384 51 F C 1.791 177.625 175.800 0.056 0.000 1.057 51 F CA 0.899 58.828 58.000 -0.119 0.000 1.169 51 F CB -0.253 38.582 39.000 -0.276 0.000 1.070 51 F HN 0.354 nan 8.300 nan 0.000 0.554 52 G N 2.180 111.044 108.800 0.105 0.000 2.176 52 G HA2 -0.309 3.655 3.960 0.007 0.000 0.253 52 G HA3 -0.309 3.655 3.960 0.007 0.000 0.253 52 G C -0.429 174.440 174.900 -0.052 0.000 0.979 52 G CA -0.529 44.529 45.100 -0.069 0.000 0.641 52 G HN 0.595 nan 8.290 nan 0.000 0.530 53 Y N 0.646 121.101 120.300 0.258 0.000 2.409 53 Y HA 0.586 5.140 4.550 0.007 0.000 0.339 53 Y C 0.805 176.859 175.900 0.257 0.000 1.033 53 Y CA -0.989 57.276 58.100 0.275 0.000 1.094 53 Y CB 1.350 39.943 38.460 0.222 0.000 1.210 53 Y HN -0.018 nan 8.280 nan 0.000 0.456 54 K N 4.178 124.833 120.400 0.425 0.000 2.298 54 K HA 0.153 4.478 4.320 0.007 0.000 0.280 54 K C -2.017 174.807 176.600 0.373 0.000 1.032 54 K CA -1.465 55.000 56.287 0.296 0.000 0.958 54 K CB 0.727 33.357 32.500 0.217 0.000 0.978 54 K HN 0.337 nan 8.250 nan 0.000 0.472 55 P HA -0.280 nan 4.420 nan 0.000 0.216 55 P C 1.021 178.488 177.300 0.279 0.000 1.153 55 P CA 1.334 64.567 63.100 0.222 0.000 0.858 55 P CB 0.171 31.910 31.700 0.066 0.000 0.789 56 E N -0.503 119.812 120.200 0.192 0.000 2.268 56 E HA -0.193 4.161 4.350 0.007 0.000 0.195 56 E C 0.915 177.619 176.600 0.173 0.000 0.995 56 E CA 1.201 57.687 56.400 0.144 0.000 0.836 56 E CB -1.127 28.619 29.700 0.076 0.000 0.763 56 E HN 0.227 nan 8.360 nan 0.000 0.491 57 D N 0.260 120.804 120.400 0.241 0.000 2.378 57 D HA -0.060 4.585 4.640 0.007 0.000 0.222 57 D C 0.840 177.259 176.300 0.198 0.000 0.980 57 D CA 0.435 54.560 54.000 0.208 0.000 0.907 57 D CB -0.395 40.611 40.800 0.342 0.000 0.899 57 D HN 0.215 nan 8.370 nan 0.000 0.527 58 F N 0.556 120.592 119.950 0.143 0.000 2.802 58 F HA 0.050 4.582 4.527 0.008 0.000 0.300 58 F C 1.008 176.884 175.800 0.127 0.000 1.168 58 F CA 0.221 58.295 58.000 0.124 0.000 1.433 58 F CB 0.008 39.018 39.000 0.018 0.000 1.115 58 F HN -0.205 nan 8.300 nan 0.000 0.582 59 N N 0.811 119.602 118.700 0.152 0.000 2.456 59 N HA 0.076 4.820 4.740 0.007 0.000 0.296 59 N C -0.164 175.164 175.510 -0.305 0.000 1.102 59 N CA -0.536 52.504 53.050 -0.017 0.000 0.924 59 N CB 1.138 39.610 38.487 -0.025 0.000 1.186 59 N HN -0.113 nan 8.380 nan 0.000 0.492 60 K N 1.122 121.291 120.400 -0.386 0.000 2.401 60 K HA 0.095 4.419 4.320 0.007 0.000 0.278 60 K C -0.064 176.290 176.600 -0.410 0.000 1.018 60 K CA 0.260 56.142 56.287 -0.674 0.000 0.981 60 K CB 0.302 32.645 32.500 -0.262 0.000 0.933 60 K HN 0.818 nan 8.250 nan 0.000 0.477 61 S N 0.909 116.344 115.700 -0.441 0.000 2.998 61 S HA 0.210 4.685 4.470 0.007 0.000 0.323 61 S C 0.505 174.995 174.600 -0.183 0.000 1.141 61 S CA -0.123 57.930 58.200 -0.245 0.000 0.873 61 S CB 0.727 63.792 63.200 -0.224 0.000 1.315 61 S HN 0.542 nan 8.310 nan 0.000 0.637 62 S N -0.621 115.003 115.700 -0.127 0.000 2.631 62 S HA 0.432 4.906 4.470 0.007 0.000 0.217 62 S C 0.747 175.298 174.600 -0.082 0.000 0.958 62 S CA -0.040 58.109 58.200 -0.084 0.000 0.920 62 S CB -0.931 62.233 63.200 -0.060 0.000 0.776 62 S HN 1.176 nan 8.310 nan 0.000 0.517 63 G N 0.982 109.703 108.800 -0.131 0.000 2.644 63 G HA2 0.720 4.684 3.960 0.007 0.000 0.307 63 G HA3 0.720 4.684 3.960 0.007 0.000 0.307 63 G C -0.990 173.830 174.900 -0.133 0.000 1.250 63 G CA -1.038 43.984 45.100 -0.130 0.000 0.996 63 G HN 0.543 nan 8.290 nan 0.000 0.489 64 I N -4.077 116.423 120.570 -0.117 0.000 2.994 64 I HA 0.628 4.802 4.170 0.007 0.000 0.306 64 I C -0.427 175.616 176.117 -0.123 0.000 1.195 64 I CA -1.100 60.181 61.300 -0.031 0.000 1.001 64 I CB 1.686 39.735 38.000 0.082 0.000 1.244 64 I HN 0.410 nan 8.210 nan 0.000 0.437 65 F N 0.341 120.336 119.950 0.075 0.000 2.317 65 F HA 0.274 4.805 4.527 0.007 0.000 0.290 65 F C 1.157 176.950 175.800 -0.011 0.000 1.075 65 F CA 0.676 58.699 58.000 0.038 0.000 1.380 65 F CB 0.329 39.347 39.000 0.029 0.000 1.093 65 F HN 0.572 nan 8.300 nan 0.000 0.524 66 N N 0.218 119.018 118.700 0.167 0.000 2.342 66 N HA 0.198 4.942 4.740 0.007 0.000 0.293 66 N C 0.322 175.835 175.510 0.004 0.000 1.026 66 N CA -0.239 52.845 53.050 0.056 0.000 0.857 66 N CB 1.518 40.030 38.487 0.041 0.000 1.256 66 N HN 0.064 nan 8.380 nan 0.000 0.484 67 R N 1.055 121.505 120.500 -0.085 0.000 2.316 67 R HA 0.076 4.420 4.340 0.007 0.000 0.202 67 R C -0.232 176.112 176.300 0.073 0.000 1.029 67 R CA 0.759 56.783 56.100 -0.127 0.000 1.018 67 R CB 0.373 30.443 30.300 -0.384 0.000 0.888 67 R HN 0.509 nan 8.270 nan 0.000 0.471 68 D N 0.226 120.651 120.400 0.042 0.000 2.696 68 D HA 0.147 4.792 4.640 0.007 0.000 0.269 68 D C -0.981 175.324 176.300 0.010 0.000 1.319 68 D CA 0.198 54.222 54.000 0.041 0.000 0.826 68 D CB 1.167 41.969 40.800 0.004 0.000 1.086 68 D HN -0.129 nan 8.370 nan 0.000 0.481 69 V N 0.891 120.827 119.914 0.036 0.000 2.808 69 V HA 0.136 4.260 4.120 0.007 0.000 0.308 69 V C -0.105 176.024 176.094 0.058 0.000 1.099 69 V CA -1.045 61.268 62.300 0.022 0.000 0.920 69 V CB 2.581 34.403 31.823 -0.001 0.000 1.014 69 V HN 0.210 nan 8.190 nan 0.000 0.425 70 C N 4.815 124.146 119.300 0.052 0.000 2.311 70 C HA 0.344 4.808 4.460 0.007 0.000 0.357 70 C C 0.676 175.719 174.990 0.088 0.000 1.086 70 C CA -0.474 58.591 59.018 0.079 0.000 1.486 70 C CB -1.663 26.117 27.740 0.066 0.000 1.974 70 C HN 0.894 nan 8.230 nan 0.000 0.508 71 E N 4.227 124.496 120.200 0.116 0.000 2.257 71 E HA 0.103 4.458 4.350 0.007 0.000 0.278 71 E C -0.949 175.737 176.600 0.144 0.000 1.049 71 E CA 0.057 56.506 56.400 0.082 0.000 0.876 71 E CB 0.837 30.614 29.700 0.127 0.000 1.035 71 E HN 0.742 nan 8.360 nan 0.000 0.419 72 Y N 3.803 124.023 120.300 -0.133 0.000 2.330 72 Y HA 0.256 4.810 4.550 0.007 0.000 0.336 72 Y C -1.377 174.345 175.900 -0.297 0.000 1.036 72 Y CA -0.906 57.138 58.100 -0.093 0.000 1.125 72 Y CB 0.519 38.905 38.460 -0.123 0.000 1.194 72 Y HN 0.371 nan 8.280 nan 0.000 0.469 73 Y N 3.783 123.592 120.300 -0.818 0.000 2.429 73 Y HA 0.463 5.017 4.550 0.007 0.000 0.342 73 Y C -0.573 174.723 175.900 -1.007 0.000 1.004 73 Y CA -1.012 56.667 58.100 -0.701 0.000 1.075 73 Y CB 1.800 40.053 38.460 -0.345 0.000 1.214 73 Y HN 0.557 nan 8.280 nan 0.000 0.455 74 D N 3.599 123.694 120.400 -0.509 0.000 2.362 74 D HA 0.142 4.786 4.640 0.007 0.000 0.228 74 D C -2.358 173.878 176.300 -0.107 0.000 1.326 74 D CA -1.456 52.309 54.000 -0.392 0.000 0.927 74 D CB 1.565 42.112 40.800 -0.422 0.000 1.501 74 D HN 0.216 nan 8.370 nan 0.000 0.519 75 P HA -0.028 nan 4.420 nan 0.000 0.225 75 P C 0.391 177.698 177.300 0.011 0.000 1.148 75 P CA 0.608 63.739 63.100 0.053 0.000 0.779 75 P CB 0.629 32.357 31.700 0.046 0.000 0.780 76 D N -1.686 118.720 120.400 0.010 0.000 2.348 76 D HA -0.047 4.597 4.640 0.007 0.000 0.211 76 D C 0.608 176.946 176.300 0.063 0.000 0.998 76 D CA -0.003 54.009 54.000 0.020 0.000 0.873 76 D CB -0.672 40.141 40.800 0.021 0.000 0.925 76 D HN 0.209 nan 8.370 nan 0.000 0.524 77 Y N 1.759 122.043 120.300 -0.028 0.000 2.721 77 Y HA -0.011 4.544 4.550 0.008 0.000 0.329 77 Y C 1.219 177.107 175.900 -0.020 0.000 1.211 77 Y CA 0.094 58.197 58.100 0.006 0.000 1.512 77 Y CB 0.103 38.561 38.460 -0.004 0.000 1.249 77 Y HN -0.040 nan 8.280 nan 0.000 0.549 78 L N 3.606 124.545 121.223 -0.473 0.000 4.291 78 L HA -0.381 3.963 4.340 0.007 0.000 0.413 78 L C 0.775 177.510 176.870 -0.225 0.000 1.162 78 L CA 0.842 55.435 54.840 -0.410 0.000 0.961 78 L CB -1.433 40.362 42.059 -0.440 0.000 2.095 78 L HN 0.806 nan 8.230 nan 0.000 0.838 79 N N -0.182 118.429 118.700 -0.149 0.000 2.314 79 N HA 0.040 4.784 4.740 0.007 0.000 0.200 79 N C 0.328 175.781 175.510 -0.095 0.000 1.135 79 N CA 0.724 53.709 53.050 -0.108 0.000 0.835 79 N CB 0.188 38.632 38.487 -0.073 0.000 0.989 79 N HN 0.560 nan 8.380 nan 0.000 0.478 80 T N -4.287 110.196 114.554 -0.118 0.000 2.883 80 T HA 0.377 4.731 4.350 0.007 0.000 0.301 80 T C 0.363 174.979 174.700 -0.141 0.000 1.158 80 T CA -0.762 61.284 62.100 -0.091 0.000 1.007 80 T CB 1.255 70.090 68.868 -0.056 0.000 1.186 80 T HN -0.233 nan 8.240 nan 0.000 0.499 81 N N 0.609 119.256 118.700 -0.089 0.000 2.166 81 N HA -0.056 4.689 4.740 0.007 0.000 0.186 81 N C 1.345 176.785 175.510 -0.117 0.000 1.019 81 N CA 1.470 54.455 53.050 -0.109 0.000 0.856 81 N CB -0.383 38.161 38.487 0.095 0.000 0.993 81 N HN 0.840 nan 8.380 nan 0.000 0.426 82 D N 0.182 120.552 120.400 -0.049 0.000 2.178 82 D HA -0.039 4.605 4.640 0.007 0.000 0.202 82 D C 1.497 177.760 176.300 -0.061 0.000 0.974 82 D CA 1.064 55.049 54.000 -0.026 0.000 0.841 82 D CB 0.192 40.992 40.800 0.000 0.000 0.953 82 D HN 0.166 nan 8.370 nan 0.000 0.478 83 K N -0.075 120.263 120.400 -0.103 0.000 2.097 83 K HA -0.063 4.261 4.320 0.007 0.000 0.205 83 K C 2.113 178.612 176.600 -0.168 0.000 1.050 83 K CA 0.833 57.044 56.287 -0.126 0.000 0.938 83 K CB 0.098 32.496 32.500 -0.171 0.000 0.718 83 K HN 0.087 nan 8.250 nan 0.000 0.442 84 K N 0.774 121.001 120.400 -0.290 0.000 2.097 84 K HA -0.130 4.195 4.320 0.007 0.000 0.205 84 K C 1.950 178.424 176.600 -0.209 0.000 1.050 84 K CA 1.141 57.185 56.287 -0.405 0.000 0.938 84 K CB -0.154 31.763 32.500 -0.972 0.000 0.718 84 K HN 0.224 nan 8.250 nan 0.000 0.442 85 N N 1.197 119.807 118.700 -0.149 0.000 2.188 85 N HA -0.127 4.617 4.740 0.007 0.000 0.184 85 N C 1.805 177.343 175.510 0.048 0.000 1.018 85 N CA 0.747 53.810 53.050 0.023 0.000 0.858 85 N CB 0.084 38.619 38.487 0.080 0.000 0.989 85 N HN 0.122 nan 8.380 nan 0.000 0.426 86 I N 0.202 120.795 120.570 0.038 0.000 2.315 86 I HA -0.238 3.936 4.170 0.007 0.000 0.248 86 I C 2.110 178.285 176.117 0.098 0.000 1.117 86 I CA 0.818 62.152 61.300 0.057 0.000 1.404 86 I CB -0.360 37.668 38.000 0.047 0.000 1.071 86 I HN 0.113 nan 8.210 nan 0.000 0.419 87 F N 1.438 121.371 119.950 -0.029 0.000 2.095 87 F HA -0.242 4.289 4.527 0.007 0.000 0.298 87 F C 2.271 178.108 175.800 0.061 0.000 1.104 87 F CA 1.674 59.692 58.000 0.030 0.000 1.232 87 F CB -0.196 38.798 39.000 -0.009 0.000 0.987 87 F HN -0.117 nan 8.300 nan 0.000 0.475 88 L N -0.149 121.200 121.223 0.210 0.000 1.989 88 L HA -0.278 4.067 4.340 0.007 0.000 0.211 88 L C 2.660 179.548 176.870 0.029 0.000 1.071 88 L CA 1.323 56.230 54.840 0.112 0.000 0.749 88 L CB -0.723 41.360 42.059 0.041 0.000 0.890 88 L HN 0.192 nan 8.230 nan 0.000 0.431 89 Q N -0.825 118.987 119.800 0.019 0.000 2.170 89 Q HA -0.155 4.189 4.340 0.007 0.000 0.203 89 Q C 2.139 178.131 176.000 -0.014 0.000 0.976 89 Q CA 1.927 57.724 55.803 -0.010 0.000 0.858 89 Q CB -0.856 27.886 28.738 0.007 0.000 0.907 89 Q HN 0.495 nan 8.270 nan 0.000 0.433 90 T N 1.223 115.762 114.554 -0.024 0.000 2.777 90 T HA -0.062 4.292 4.350 0.007 0.000 0.266 90 T C 1.832 176.521 174.700 -0.018 0.000 1.040 90 T CA 0.971 63.054 62.100 -0.028 0.000 1.141 90 T CB -0.022 68.811 68.868 -0.058 0.000 0.868 90 T HN 0.113 nan 8.240 nan 0.000 0.444 91 M N 0.720 120.271 119.600 -0.081 0.000 2.117 91 M HA 0.071 4.555 4.480 0.007 0.000 0.262 91 M C 2.312 178.671 176.300 0.098 0.000 1.065 91 M CA 1.237 56.543 55.300 0.010 0.000 1.114 91 M CB -1.226 31.334 32.600 -0.066 0.000 1.361 91 M HN 0.269 nan 8.290 nan 0.000 0.408 92 I N -0.160 120.402 120.570 -0.014 0.000 2.208 92 I HA -0.338 3.836 4.170 0.007 0.000 0.245 92 I C 2.580 178.727 176.117 0.050 0.000 1.097 92 I CA 1.328 62.597 61.300 -0.051 0.000 1.363 92 I CB -0.424 37.482 38.000 -0.157 0.000 1.051 92 I HN 0.331 nan 8.210 nan 0.000 0.413 93 K N 1.181 121.615 120.400 0.056 0.000 2.057 93 K HA -0.152 4.172 4.320 0.007 0.000 0.207 93 K C 2.151 178.836 176.600 0.142 0.000 1.049 93 K CA 1.242 57.582 56.287 0.088 0.000 0.931 93 K CB -0.021 32.538 32.500 0.098 0.000 0.714 93 K HN 0.255 nan 8.250 nan 0.000 0.440 94 L N -0.183 121.142 121.223 0.169 0.000 2.046 94 L HA -0.160 4.184 4.340 0.007 0.000 0.208 94 L C 2.273 179.208 176.870 0.108 0.000 1.077 94 L CA 1.122 56.055 54.840 0.156 0.000 0.747 94 L CB -0.480 41.659 42.059 0.133 0.000 0.896 94 L HN 0.136 nan 8.230 nan 0.000 0.432 95 F N 0.558 120.493 119.950 -0.026 0.000 2.171 95 F HA -0.181 4.351 4.527 0.007 0.000 0.300 95 F C 2.540 178.331 175.800 -0.017 0.000 1.090 95 F CA 1.213 59.191 58.000 -0.037 0.000 1.293 95 F CB -0.549 38.422 39.000 -0.048 0.000 1.013 95 F HN 0.141 nan 8.300 nan 0.000 0.486 96 N N 0.055 118.855 118.700 0.166 0.000 2.166 96 N HA -0.181 4.563 4.740 0.007 0.000 0.186 96 N C 2.072 177.623 175.510 0.068 0.000 1.019 96 N CA 0.993 54.095 53.050 0.088 0.000 0.856 96 N CB -0.375 38.142 38.487 0.051 0.000 0.993 96 N HN 0.268 nan 8.380 nan 0.000 0.426 97 R N 1.027 121.569 120.500 0.070 0.000 2.081 97 R HA 0.036 4.380 4.340 0.007 0.000 0.235 97 R C 2.230 178.601 176.300 0.119 0.000 1.131 97 R CA 0.846 56.988 56.100 0.070 0.000 0.960 97 R CB -0.214 30.122 30.300 0.060 0.000 0.856 97 R HN 0.137 nan 8.270 nan 0.000 0.436 98 I N 1.689 122.280 120.570 0.035 0.000 2.226 98 I HA -0.301 3.873 4.170 0.007 0.000 0.245 98 I C 2.078 178.262 176.117 0.111 0.000 1.100 98 I CA 1.810 63.105 61.300 -0.009 0.000 1.374 98 I CB -0.275 37.596 38.000 -0.216 0.000 1.057 98 I HN 0.293 nan 8.210 nan 0.000 0.413 99 K N 0.904 121.347 120.400 0.072 0.000 2.487 99 K HA 0.015 4.340 4.320 0.007 0.000 0.192 99 K C 1.752 178.395 176.600 0.071 0.000 1.027 99 K CA 1.031 57.363 56.287 0.075 0.000 1.054 99 K CB -0.212 32.321 32.500 0.056 0.000 0.824 99 K HN 0.270 nan 8.250 nan 0.000 0.510 100 S N 0.363 116.114 115.700 0.085 0.000 2.500 100 S HA -0.053 4.421 4.470 0.007 0.000 0.239 100 S C 0.288 174.870 174.600 -0.030 0.000 0.989 100 S CA 0.202 58.419 58.200 0.029 0.000 0.951 100 S CB -0.232 62.986 63.200 0.029 0.000 0.759 100 S HN 0.317 nan 8.310 nan 0.000 0.523 101 K N 0.911 121.299 120.400 -0.021 0.000 2.426 101 K HA 0.367 4.691 4.320 0.007 0.000 0.251 101 K C -2.328 174.269 176.600 -0.006 0.000 0.941 101 K CA -2.502 53.704 56.287 -0.134 0.000 0.808 101 K CB 2.126 34.308 32.500 -0.530 0.000 1.265 101 K HN -0.203 nan 8.250 nan 0.000 0.432 102 P HA -0.225 nan 4.420 nan 0.000 0.216 102 P C 1.304 178.655 177.300 0.085 0.000 1.150 102 P CA 1.105 64.221 63.100 0.027 0.000 0.843 102 P CB 0.270 31.972 31.700 0.002 0.000 0.787 103 L N 0.316 121.600 121.223 0.102 0.000 2.012 103 L HA -0.032 4.313 4.340 0.007 0.000 0.210 103 L C 2.512 179.557 176.870 0.291 0.000 1.073 103 L CA 2.537 57.492 54.840 0.191 0.000 0.748 103 L CB -1.648 40.530 42.059 0.198 0.000 0.891 103 L HN -0.028 nan 8.230 nan 0.000 0.431 104 G N -1.532 107.463 108.800 0.325 0.000 2.421 104 G HA2 -0.247 3.717 3.960 0.007 0.000 0.217 104 G HA3 -0.247 3.717 3.960 0.007 0.000 0.217 104 G C 1.480 176.439 174.900 0.097 0.000 1.143 104 G CA 0.605 45.830 45.100 0.209 0.000 0.784 104 G HN 0.548 nan 8.290 nan 0.000 0.541 105 E N 0.515 120.781 120.200 0.110 0.000 2.110 105 E HA -0.112 4.243 4.350 0.007 0.000 0.193 105 E C 2.263 178.895 176.600 0.052 0.000 0.988 105 E CA 0.937 57.374 56.400 0.061 0.000 0.804 105 E CB -0.088 29.645 29.700 0.055 0.000 0.745 105 E HN 0.350 nan 8.360 nan 0.000 0.458 106 K N 0.153 120.614 120.400 0.102 0.000 2.155 106 K HA -0.125 4.200 4.320 0.007 0.000 0.203 106 K C 2.224 178.839 176.600 0.025 0.000 1.052 106 K CA 0.759 57.119 56.287 0.122 0.000 0.948 106 K CB -0.133 32.505 32.500 0.230 0.000 0.728 106 K HN 0.152 nan 8.250 nan 0.000 0.448 107 L N 1.607 122.804 121.223 -0.044 0.000 2.017 107 L HA -0.153 4.191 4.340 0.007 0.000 0.208 107 L C 1.859 178.557 176.870 -0.287 0.000 1.073 107 L CA 1.567 56.137 54.840 -0.450 0.000 0.745 107 L CB -0.429 41.409 42.059 -0.368 0.000 0.894 107 L HN 0.107 nan 8.230 nan 0.000 0.432 108 L N -0.690 120.443 121.223 -0.149 0.000 2.046 108 L HA -0.211 4.133 4.340 0.007 0.000 0.208 108 L C 2.559 179.399 176.870 -0.050 0.000 1.077 108 L CA 1.607 56.394 54.840 -0.089 0.000 0.747 108 L CB -0.609 41.430 42.059 -0.033 0.000 0.896 108 L HN 0.361 nan 8.230 nan 0.000 0.432 109 E N -0.477 119.703 120.200 -0.033 0.000 2.077 109 E HA -0.235 4.119 4.350 0.007 0.000 0.193 109 E C 2.311 178.900 176.600 -0.018 0.000 0.989 109 E CA 1.139 57.531 56.400 -0.014 0.000 0.800 109 E CB -0.079 29.625 29.700 0.006 0.000 0.746 109 E HN 0.368 nan 8.360 nan 0.000 0.452 110 M N 0.259 119.831 119.600 -0.047 0.000 2.117 110 M HA -0.130 4.354 4.480 0.007 0.000 0.262 110 M C 2.367 178.697 176.300 0.050 0.000 1.065 110 M CA 1.339 56.633 55.300 -0.011 0.000 1.114 110 M CB -0.648 31.852 32.600 -0.166 0.000 1.361 110 M HN 0.167 nan 8.290 nan 0.000 0.408 111 I N -0.182 120.368 120.570 -0.034 0.000 2.252 111 I HA -0.288 3.886 4.170 0.007 0.000 0.245 111 I C 2.310 178.429 176.117 0.002 0.000 1.102 111 I CA 1.074 62.372 61.300 -0.004 0.000 1.385 111 I CB -0.267 37.703 38.000 -0.051 0.000 1.064 111 I HN 0.178 nan 8.210 nan 0.000 0.414 112 I N 0.766 121.332 120.570 -0.006 0.000 2.226 112 I HA -0.282 3.892 4.170 0.007 0.000 0.245 112 I C 1.918 178.012 176.117 -0.037 0.000 1.100 112 I CA 1.321 62.614 61.300 -0.011 0.000 1.374 112 I CB -0.404 37.589 38.000 -0.011 0.000 1.057 112 I HN 0.312 nan 8.210 nan 0.000 0.413 113 N N 0.780 119.455 118.700 -0.042 0.000 2.463 113 N HA -0.001 4.743 4.740 0.007 0.000 0.181 113 N C 1.356 176.780 175.510 -0.143 0.000 1.078 113 N CA 0.563 53.564 53.050 -0.082 0.000 0.902 113 N CB 0.111 38.565 38.487 -0.055 0.000 0.970 113 N HN 0.274 nan 8.380 nan 0.000 0.451 114 G N 2.226 110.935 108.800 -0.152 0.000 3.455 114 G HA2 0.203 4.167 3.960 0.007 0.000 0.250 114 G HA3 0.203 4.167 3.960 0.007 0.000 0.250 114 G C 0.645 175.367 174.900 -0.296 0.000 1.071 114 G CA -0.441 44.400 45.100 -0.430 0.000 1.812 114 G HN 0.294 nan 8.290 nan 0.000 0.643 115 I N -1.771 118.692 120.570 -0.179 0.000 2.775 115 I HA 0.251 4.425 4.170 0.007 0.000 0.290 115 I C -2.363 173.784 176.117 0.050 0.000 1.203 115 I CA -1.777 59.487 61.300 -0.060 0.000 1.433 115 I CB 0.370 38.309 38.000 -0.101 0.000 1.354 115 I HN -0.092 nan 8.210 nan 0.000 0.579 116 P HA -0.010 nan 4.420 nan 0.000 0.266 116 P C -0.917 176.508 177.300 0.209 0.000 1.195 116 P CA 0.194 63.377 63.100 0.138 0.000 0.768 116 P CB 0.237 32.015 31.700 0.131 0.000 0.838 117 Y N 3.068 123.377 120.300 0.016 0.000 2.578 117 Y HA 0.035 4.590 4.550 0.007 0.000 0.339 117 Y C 0.404 176.279 175.900 -0.042 0.000 1.231 117 Y CA 0.176 58.099 58.100 -0.296 0.000 1.461 117 Y CB 0.161 38.489 38.460 -0.221 0.000 1.323 117 Y HN 0.171 nan 8.280 nan 0.000 0.590 118 L N 7.043 127.871 121.223 -0.659 0.000 2.395 118 L HA 0.370 4.714 4.340 0.007 0.000 0.268 118 L C 0.644 177.504 176.870 -0.018 0.000 1.223 118 L CA 0.398 55.017 54.840 -0.369 0.000 1.093 118 L CB -1.409 40.216 42.059 -0.724 0.000 1.349 118 L HN 0.946 nan 8.230 nan 0.000 0.427 119 G N 1.804 110.688 108.800 0.140 0.000 2.357 119 G HA2 0.200 4.164 3.960 0.007 0.000 0.289 119 G HA3 0.200 4.164 3.960 0.007 0.000 0.289 119 G C -1.975 172.836 174.900 -0.148 0.000 1.302 119 G CA -0.211 44.954 45.100 0.108 0.000 0.936 119 G HN 0.511 nan 8.290 nan 0.000 0.513 120 D N -2.744 117.356 120.400 -0.500 0.000 2.921 120 D HA 0.387 5.031 4.640 0.007 0.000 0.329 120 D C 1.536 177.184 176.300 -1.086 0.000 1.293 120 D CA 0.015 53.237 54.000 -1.296 0.000 0.964 120 D CB -0.092 40.319 40.800 -0.648 0.000 1.435 120 D HN 0.782 nan 8.370 nan 0.000 0.548 121 R N -0.007 119.993 120.500 -0.833 0.000 2.170 121 R HA -0.086 4.258 4.340 0.007 0.000 0.242 121 R C 1.408 177.606 176.300 -0.170 0.000 1.145 121 R CA 1.183 57.133 56.100 -0.252 0.000 0.984 121 R CB -0.463 29.733 30.300 -0.173 0.000 0.869 121 R HN 0.292 nan 8.270 nan 0.000 0.455 122 R N 0.948 121.331 120.500 -0.194 0.000 2.236 122 R HA 0.133 4.477 4.340 0.007 0.000 0.208 122 R C 0.192 176.446 176.300 -0.077 0.000 1.036 122 R CA 0.318 56.348 56.100 -0.115 0.000 1.001 122 R CB 0.239 30.477 30.300 -0.103 0.000 0.896 122 R HN -0.004 nan 8.270 nan 0.000 0.464 123 V N 3.334 123.199 119.914 -0.081 0.000 2.555 123 V HA 0.114 4.238 4.120 0.007 0.000 0.286 123 V C -1.995 174.107 176.094 0.013 0.000 1.044 123 V CA -1.755 60.535 62.300 -0.016 0.000 1.026 123 V CB 0.946 32.786 31.823 0.028 0.000 0.981 123 V HN -0.005 nan 8.190 nan 0.000 0.480 124 P HA 0.107 nan 4.420 nan 0.000 0.267 124 P C 1.016 178.328 177.300 0.021 0.000 1.200 124 P CA -0.016 63.089 63.100 0.007 0.000 0.772 124 P CB 0.463 32.161 31.700 -0.002 0.000 0.855 125 L N 1.634 122.862 121.223 0.008 0.000 2.127 125 L HA -0.213 4.132 4.340 0.007 0.000 0.211 125 L C 1.532 178.392 176.870 -0.016 0.000 1.089 125 L CA 1.665 56.507 54.840 0.003 0.000 0.757 125 L CB -0.719 41.330 42.059 -0.017 0.000 0.899 125 L HN 0.410 nan 8.230 nan 0.000 0.434 126 E N -0.229 119.953 120.200 -0.030 0.000 2.511 126 E HA 0.010 4.365 4.350 0.007 0.000 0.196 126 E C -0.044 176.495 176.600 -0.102 0.000 1.066 126 E CA 0.343 56.706 56.400 -0.061 0.000 0.871 126 E CB 0.132 29.807 29.700 -0.042 0.000 0.863 126 E HN 0.548 nan 8.360 nan 0.000 0.520 127 E N -0.555 119.604 120.200 -0.068 0.000 2.359 127 E HA 0.441 4.795 4.350 0.007 0.000 0.266 127 E C -0.795 175.809 176.600 0.007 0.000 0.920 127 E CA -0.754 55.605 56.400 -0.068 0.000 0.788 127 E CB 1.607 31.308 29.700 0.002 0.000 1.279 127 E HN -0.061 nan 8.360 nan 0.000 0.438 128 F N 1.372 121.327 119.950 0.008 0.000 2.444 128 F HA 0.345 4.876 4.527 0.007 0.000 0.342 128 F C 0.214 175.985 175.800 -0.048 0.000 1.121 128 F CA -0.938 57.026 58.000 -0.059 0.000 0.997 128 F CB 1.578 40.488 39.000 -0.150 0.000 1.130 128 F HN 0.287 nan 8.300 nan 0.000 0.454 129 N N 1.780 120.576 118.700 0.161 0.000 2.491 129 N HA 0.114 4.858 4.740 0.007 0.000 0.274 129 N C 0.360 175.894 175.510 0.040 0.000 1.023 129 N CA -0.274 52.819 53.050 0.072 0.000 0.902 129 N CB 1.680 40.193 38.487 0.042 0.000 1.267 129 N HN 0.678 nan 8.380 nan 0.000 0.503 130 T N -0.202 114.377 114.554 0.042 0.000 3.081 130 T HA 0.043 4.398 4.350 0.007 0.000 0.255 130 T C 0.839 175.542 174.700 0.004 0.000 1.113 130 T CA 0.246 62.395 62.100 0.081 0.000 1.082 130 T CB -0.143 68.822 68.868 0.162 0.000 0.939 130 T HN 0.290 nan 8.240 nan 0.000 0.506 131 N N 2.393 121.072 118.700 -0.035 0.000 3.111 131 N HA 0.222 4.967 4.740 0.007 0.000 0.302 131 N C -0.360 175.089 175.510 -0.102 0.000 1.317 131 N CA -0.661 52.334 53.050 -0.091 0.000 1.151 131 N CB -0.893 37.539 38.487 -0.091 0.000 1.456 131 N HN 0.779 nan 8.380 nan 0.000 0.547 132 I N -4.058 116.463 120.570 -0.082 0.000 2.769 132 I HA 0.572 4.746 4.170 0.007 0.000 0.298 132 I C 0.795 176.869 176.117 -0.072 0.000 1.128 132 I CA -1.247 60.006 61.300 -0.078 0.000 1.031 132 I CB 1.680 39.647 38.000 -0.056 0.000 1.235 132 I HN -0.198 nan 8.210 nan 0.000 0.423 133 A N 3.079 125.858 122.820 -0.068 0.000 2.178 133 A HA -0.105 4.220 4.320 0.007 0.000 0.218 133 A C 1.917 179.490 177.584 -0.019 0.000 1.157 133 A CA 1.848 53.858 52.037 -0.045 0.000 0.689 133 A CB -0.830 18.169 19.000 -0.002 0.000 0.787 133 A HN 0.942 nan 8.150 nan 0.000 0.465 134 S N -1.914 113.786 115.700 0.000 0.000 2.575 134 S HA 0.223 4.697 4.470 0.007 0.000 0.215 134 S C 1.098 175.735 174.600 0.062 0.000 0.966 134 S CA 0.675 58.895 58.200 0.033 0.000 0.911 134 S CB 0.283 63.511 63.200 0.047 0.000 0.780 134 S HN 0.199 nan 8.310 nan 0.000 0.514 135 V N 0.403 120.354 119.914 0.062 0.000 2.996 135 V HA 0.247 4.371 4.120 0.007 0.000 0.235 135 V C 0.592 176.791 176.094 0.175 0.000 1.205 135 V CA 0.713 63.098 62.300 0.142 0.000 1.225 135 V CB 0.203 32.114 31.823 0.147 0.000 0.995 135 V HN 0.411 nan 8.190 nan 0.000 0.484 136 T N 1.028 115.605 114.554 0.038 0.000 2.823 136 T HA 0.671 5.025 4.350 0.007 0.000 0.279 136 T C -1.059 173.581 174.700 -0.100 0.000 0.998 136 T CA -0.116 61.938 62.100 -0.077 0.000 0.994 136 T CB 2.461 71.226 68.868 -0.172 0.000 0.960 136 T HN 0.027 nan 8.240 nan 0.000 0.448 137 V N 3.678 123.521 119.914 -0.119 0.000 2.735 137 V HA 0.555 4.679 4.120 0.007 0.000 0.310 137 V C -1.090 174.927 176.094 -0.128 0.000 1.061 137 V CA -0.915 61.315 62.300 -0.117 0.000 0.913 137 V CB 2.154 33.889 31.823 -0.146 0.000 1.005 137 V HN 0.815 nan 8.190 nan 0.000 0.428 138 N N 4.219 122.882 118.700 -0.061 0.000 2.492 138 N HA 0.525 5.269 4.740 0.007 0.000 0.289 138 N C -1.000 174.513 175.510 0.004 0.000 1.133 138 N CA -0.509 52.532 53.050 -0.014 0.000 0.961 138 N CB 1.591 40.143 38.487 0.109 0.000 1.186 138 N HN 0.755 nan 8.380 nan 0.000 0.493 139 K N -0.281 120.125 120.400 0.010 0.000 2.378 139 K HA 0.504 4.828 4.320 0.007 0.000 0.252 139 K C -1.161 175.458 176.600 0.032 0.000 0.931 139 K CA -0.896 55.396 56.287 0.009 0.000 0.794 139 K CB 1.748 34.181 32.500 -0.112 0.000 1.181 139 K HN 0.224 nan 8.250 nan 0.000 0.425 140 L N 3.951 125.154 121.223 -0.033 0.000 2.265 140 L HA 0.237 4.581 4.340 0.007 0.000 0.288 140 L C 0.006 176.768 176.870 -0.179 0.000 1.058 140 L CA -0.182 54.516 54.840 -0.237 0.000 0.809 140 L CB 0.648 42.249 42.059 -0.763 0.000 1.179 140 L HN 0.866 nan 8.230 nan 0.000 0.429 141 I N 2.083 122.575 120.570 -0.130 0.000 2.628 141 I HA 0.065 4.239 4.170 0.007 0.000 0.255 141 I C 1.334 177.387 176.117 -0.106 0.000 1.119 141 I CA 0.798 62.038 61.300 -0.100 0.000 1.448 141 I CB -0.521 37.438 38.000 -0.067 0.000 1.133 141 I HN 0.765 nan 8.210 nan 0.000 0.438 142 S N 1.740 117.374 115.700 -0.111 0.000 2.540 142 S HA -0.065 4.409 4.470 0.007 0.000 0.272 142 S C 0.234 174.768 174.600 -0.109 0.000 1.357 142 S CA -0.452 57.688 58.200 -0.100 0.000 1.011 142 S CB -0.489 62.651 63.200 -0.099 0.000 0.852 142 S HN 0.330 nan 8.310 nan 0.000 0.535 143 N N 1.589 120.237 118.700 -0.085 0.000 2.371 143 N HA 0.347 5.091 4.740 0.007 0.000 0.243 143 N C -2.758 172.697 175.510 -0.093 0.000 1.287 143 N CA -1.211 51.792 53.050 -0.079 0.000 0.911 143 N CB -0.591 37.861 38.487 -0.058 0.000 1.142 143 N HN 0.444 nan 8.380 nan 0.000 0.451 144 P HA 0.090 nan 4.420 nan 0.000 0.266 144 P C 0.645 177.902 177.300 -0.072 0.000 1.195 144 P CA 0.786 63.835 63.100 -0.085 0.000 0.768 144 P CB 0.437 32.096 31.700 -0.068 0.000 0.838 145 G N 1.220 109.975 108.800 -0.074 0.000 2.141 145 G HA2 -0.167 3.797 3.960 0.007 0.000 0.231 145 G HA3 -0.167 3.797 3.960 0.007 0.000 0.231 145 G C -0.366 174.499 174.900 -0.058 0.000 0.984 145 G CA 0.151 45.217 45.100 -0.056 0.000 0.660 145 G HN 0.740 nan 8.290 nan 0.000 0.525 146 E N -1.913 118.239 120.200 -0.080 0.000 2.481 146 E HA 0.423 4.778 4.350 0.007 0.000 0.301 146 E C 0.142 176.676 176.600 -0.110 0.000 0.948 146 E CA -0.551 55.804 56.400 -0.074 0.000 0.804 146 E CB 1.159 30.824 29.700 -0.059 0.000 1.265 146 E HN 0.965 nan 8.360 nan 0.000 0.406 147 V N 0.623 120.484 119.914 -0.088 0.000 3.415 147 V HA 0.061 4.185 4.120 0.007 0.000 0.325 147 V C 1.413 177.474 176.094 -0.056 0.000 1.313 147 V CA 0.952 63.189 62.300 -0.106 0.000 1.228 147 V CB -1.028 30.789 31.823 -0.011 0.000 1.131 147 V HN 0.774 nan 8.190 nan 0.000 0.433 148 E N 1.609 121.776 120.200 -0.054 0.000 2.130 148 E HA -0.188 4.166 4.350 0.007 0.000 0.196 148 E C 0.968 177.551 176.600 -0.029 0.000 0.998 148 E CA 1.114 57.494 56.400 -0.033 0.000 0.806 148 E CB -0.180 29.499 29.700 -0.035 0.000 0.738 148 E HN 0.697 nan 8.360 nan 0.000 0.459 149 R N 0.903 121.373 120.500 -0.049 0.000 2.360 149 R HA 0.421 4.766 4.340 0.007 0.000 0.318 149 R C -0.847 175.429 176.300 -0.041 0.000 0.950 149 R CA -0.477 55.600 56.100 -0.039 0.000 0.837 149 R CB 1.727 32.000 30.300 -0.045 0.000 1.165 149 R HN -0.038 nan 8.270 nan 0.000 0.458 150 K N 2.071 122.467 120.400 -0.007 0.000 2.267 150 K HA 0.453 4.777 4.320 0.007 0.000 0.246 150 K C -0.773 175.825 176.600 -0.003 0.000 0.954 150 K CA -0.985 55.312 56.287 0.017 0.000 0.824 150 K CB 2.139 34.691 32.500 0.087 0.000 1.167 150 K HN 0.123 nan 8.250 nan 0.000 0.431 151 K N 0.105 120.496 120.400 -0.015 0.000 2.464 151 K HA 0.434 4.758 4.320 0.007 0.000 0.253 151 K C -0.932 175.624 176.600 -0.073 0.000 0.933 151 K CA -0.486 55.774 56.287 -0.046 0.000 0.801 151 K CB 1.965 34.436 32.500 -0.049 0.000 1.271 151 K HN 0.724 nan 8.250 nan 0.000 0.430 152 G N 3.211 111.939 108.800 -0.120 0.000 2.425 152 G HA2 0.655 4.619 3.960 0.007 0.000 0.302 152 G HA3 0.655 4.619 3.960 0.007 0.000 0.302 152 G C -0.638 174.110 174.900 -0.252 0.000 1.159 152 G CA -0.685 44.302 45.100 -0.188 0.000 0.865 152 G HN 0.715 nan 8.290 nan 0.000 0.515 153 I N -1.905 118.498 120.570 -0.279 0.000 2.894 153 I HA 0.660 4.835 4.170 0.007 0.000 0.302 153 I C -1.305 174.656 176.117 -0.259 0.000 1.188 153 I CA -1.399 59.747 61.300 -0.256 0.000 1.014 153 I CB 2.297 40.251 38.000 -0.077 0.000 1.242 153 I HN 0.328 nan 8.210 nan 0.000 0.430 154 F N 3.073 123.056 119.950 0.054 0.000 2.375 154 F HA 0.800 5.331 4.527 0.007 0.000 0.333 154 F C 0.743 176.613 175.800 0.117 0.000 1.104 154 F CA -0.274 57.763 58.000 0.062 0.000 1.149 154 F CB 1.751 40.795 39.000 0.074 0.000 1.190 154 F HN 0.754 nan 8.300 nan 0.000 0.533 155 A N 2.360 125.364 122.820 0.306 0.000 2.587 155 A HA 0.573 4.897 4.320 0.007 0.000 0.293 155 A C -0.573 177.137 177.584 0.210 0.000 1.087 155 A CA -0.741 51.467 52.037 0.285 0.000 0.692 155 A CB 1.458 20.600 19.000 0.237 0.000 1.291 155 A HN 0.679 nan 8.150 nan 0.000 0.407 156 N N -0.906 117.912 118.700 0.196 0.000 2.564 156 N HA 0.313 5.058 4.740 0.007 0.000 0.202 156 N C -0.602 174.990 175.510 0.137 0.000 1.052 156 N CA 0.599 53.728 53.050 0.133 0.000 0.872 156 N CB 0.448 38.988 38.487 0.089 0.000 1.303 156 N HN 0.548 nan 8.380 nan 0.000 0.440 157 L N 0.604 121.931 121.223 0.174 0.000 2.455 157 L HA 0.580 4.925 4.340 0.007 0.000 0.264 157 L C -1.871 175.128 176.870 0.215 0.000 0.968 157 L CA -0.511 54.431 54.840 0.170 0.000 0.827 157 L CB 1.801 43.948 42.059 0.147 0.000 1.317 157 L HN -0.049 nan 8.230 nan 0.000 0.407 158 I N 6.084 126.758 120.570 0.174 0.000 2.439 158 I HA 0.441 4.615 4.170 0.007 0.000 0.285 158 I C -0.741 175.447 176.117 0.119 0.000 1.021 158 I CA -0.395 60.972 61.300 0.112 0.000 1.091 158 I CB 1.708 39.702 38.000 -0.009 0.000 1.242 158 I HN 0.468 nan 8.210 nan 0.000 0.439 159 I N 6.230 126.872 120.570 0.120 0.000 2.312 159 I HA 0.373 4.547 4.170 0.007 0.000 0.290 159 I C -0.445 175.817 176.117 0.241 0.000 1.008 159 I CA -0.268 61.184 61.300 0.254 0.000 1.226 159 I CB 0.749 38.931 38.000 0.304 0.000 1.371 159 I HN 0.344 nan 8.210 nan 0.000 0.468 160 F N 3.144 123.332 119.950 0.397 0.000 2.461 160 F HA 0.646 5.177 4.527 0.007 0.000 0.337 160 F C 1.284 177.318 175.800 0.391 0.000 1.079 160 F CA -0.285 57.944 58.000 0.381 0.000 1.032 160 F CB 0.632 39.916 39.000 0.474 0.000 1.327 160 F HN 0.378 nan 8.300 nan 0.000 0.491 161 G N -0.094 108.939 108.800 0.388 0.000 2.535 161 G HA2 0.442 4.407 3.960 0.007 0.000 0.282 161 G HA3 0.442 4.407 3.960 0.007 0.000 0.282 161 G C -2.665 172.443 174.900 0.347 0.000 1.350 161 G CA -1.272 43.946 45.100 0.196 0.000 1.039 161 G HN 0.340 nan 8.290 nan 0.000 0.509 162 P HA 0.201 nan 4.420 nan 0.000 0.272 162 P C 0.462 177.822 177.300 0.100 0.000 1.240 162 P CA 0.034 63.209 63.100 0.124 0.000 0.791 162 P CB 1.050 32.742 31.700 -0.014 0.000 0.978 163 G N 0.405 109.129 108.800 -0.126 0.000 2.582 163 G HA2 0.263 4.227 3.960 0.007 0.000 0.232 163 G HA3 0.263 4.227 3.960 0.007 0.000 0.232 163 G C -1.705 172.778 174.900 -0.694 0.000 1.458 163 G CA -0.998 43.871 45.100 -0.385 0.000 1.062 163 G HN 0.233 nan 8.290 nan 0.000 0.566 164 P HA -0.050 nan 4.420 nan 0.000 0.216 164 P C 0.441 177.231 177.300 -0.849 0.000 1.153 164 P CA 0.756 63.095 63.100 -1.269 0.000 0.858 164 P CB 0.072 31.165 31.700 -1.013 0.000 0.789 165 V N 1.085 120.502 119.914 -0.828 0.000 2.348 165 V HA 0.064 4.189 4.120 0.007 0.000 0.270 165 V C 1.738 177.542 176.094 -0.482 0.000 1.037 165 V CA -0.038 61.809 62.300 -0.755 0.000 0.872 165 V CB 0.549 32.036 31.823 -0.561 0.000 1.002 165 V HN 0.010 nan 8.190 nan 0.000 0.464 166 L N 3.848 124.808 121.223 -0.439 0.000 2.042 166 L HA -0.139 4.205 4.340 0.007 0.000 0.210 166 L C 2.129 178.868 176.870 -0.218 0.000 1.076 166 L CA 1.558 56.193 54.840 -0.341 0.000 0.749 166 L CB -0.439 41.346 42.059 -0.457 0.000 0.893 166 L HN 0.889 nan 8.230 nan 0.000 0.432 167 N N 0.054 118.663 118.700 -0.151 0.000 2.370 167 N HA -0.093 4.652 4.740 0.007 0.000 0.198 167 N C 0.157 175.605 175.510 -0.103 0.000 1.156 167 N CA 0.244 53.239 53.050 -0.091 0.000 0.839 167 N CB -0.057 38.415 38.487 -0.026 0.000 0.989 167 N HN 0.417 nan 8.380 nan 0.000 0.468 168 E N 1.155 121.265 120.200 -0.149 0.000 2.373 168 E HA 0.184 4.538 4.350 0.007 0.000 0.233 168 E C -0.692 175.847 176.600 -0.102 0.000 1.035 168 E CA -0.531 55.790 56.400 -0.132 0.000 0.930 168 E CB 0.180 29.770 29.700 -0.183 0.000 1.278 168 E HN 0.238 nan 8.360 nan 0.000 0.452 169 N N 2.670 121.352 118.700 -0.030 0.000 2.492 169 N HA 0.065 4.810 4.740 0.007 0.000 0.260 169 N C -0.218 175.332 175.510 0.067 0.000 1.215 169 N CA 0.554 53.645 53.050 0.068 0.000 0.923 169 N CB 1.183 39.786 38.487 0.193 0.000 1.092 169 N HN 0.473 nan 8.380 nan 0.000 0.448 170 E N 0.200 120.442 120.200 0.070 0.000 2.372 170 E HA 0.273 4.628 4.350 0.007 0.000 0.279 170 E C -1.547 175.085 176.600 0.053 0.000 0.946 170 E CA -0.557 55.863 56.400 0.033 0.000 0.769 170 E CB 1.500 31.167 29.700 -0.055 0.000 1.230 170 E HN 0.293 nan 8.360 nan 0.000 0.442 171 T N 3.779 118.357 114.554 0.040 0.000 2.794 171 T HA 0.540 4.894 4.350 0.007 0.000 0.280 171 T C -0.358 174.365 174.700 0.038 0.000 0.987 171 T CA -0.347 61.792 62.100 0.064 0.000 0.993 171 T CB 0.336 69.263 68.868 0.098 0.000 0.939 171 T HN 0.296 nan 8.240 nan 0.000 0.449 172 I N 3.551 124.178 120.570 0.095 0.000 2.509 172 I HA 0.417 4.591 4.170 0.007 0.000 0.293 172 I C -0.581 175.646 176.117 0.183 0.000 1.020 172 I CA -1.083 60.310 61.300 0.155 0.000 1.088 172 I CB 2.093 40.242 38.000 0.248 0.000 1.267 172 I HN 0.612 nan 8.210 nan 0.000 0.430 173 D N 5.653 126.186 120.400 0.221 0.000 2.326 173 D HA 0.538 5.182 4.640 0.007 0.000 0.248 173 D C -0.457 176.096 176.300 0.421 0.000 1.001 173 D CA -0.543 53.618 54.000 0.267 0.000 0.961 173 D CB 1.496 42.446 40.800 0.249 0.000 1.183 173 D HN 0.271 nan 8.370 nan 0.000 0.502 174 I N 0.388 121.169 120.570 0.352 0.000 2.325 174 I HA 0.446 4.620 4.170 0.007 0.000 0.291 174 I C 0.730 176.973 176.117 0.209 0.000 1.019 174 I CA -0.512 60.980 61.300 0.320 0.000 1.302 174 I CB 1.277 39.362 38.000 0.141 0.000 1.401 174 I HN 0.459 nan 8.210 nan 0.000 0.485 175 G N 7.376 116.173 108.800 -0.006 0.000 2.356 175 G HA2 0.760 4.725 3.960 0.007 0.000 0.322 175 G HA3 0.760 4.725 3.960 0.007 0.000 0.322 175 G C -0.757 173.951 174.900 -0.319 0.000 1.125 175 G CA -0.405 44.274 45.100 -0.702 0.000 0.885 175 G HN 0.507 nan 8.290 nan 0.000 0.467 176 I N 1.057 121.450 120.570 -0.294 0.000 2.512 176 I HA 0.241 4.415 4.170 0.007 0.000 0.287 176 I C 0.099 176.143 176.117 -0.123 0.000 1.069 176 I CA -0.464 60.748 61.300 -0.145 0.000 1.056 176 I CB 2.153 40.103 38.000 -0.083 0.000 1.229 176 I HN 0.656 nan 8.210 nan 0.000 0.429 177 Q N 4.836 124.579 119.800 -0.095 0.000 2.468 177 Q HA -0.259 4.085 4.340 0.007 0.000 0.289 177 Q C 0.145 176.110 176.000 -0.058 0.000 1.299 177 Q CA 0.934 56.708 55.803 -0.049 0.000 0.838 177 Q CB -1.255 27.483 28.738 -0.000 0.000 1.195 177 Q HN 0.944 nan 8.270 nan 0.000 0.456 178 N N -1.785 116.804 118.700 -0.185 0.000 2.828 178 N HA -0.203 4.541 4.740 0.007 0.000 0.248 178 N C -0.570 174.653 175.510 -0.477 0.000 1.044 178 N CA 0.812 53.691 53.050 -0.286 0.000 0.851 178 N CB -0.551 37.801 38.487 -0.225 0.000 1.136 178 N HN 0.489 nan 8.380 nan 0.000 0.572 179 H N -0.693 118.211 119.070 -0.277 0.000 2.747 179 H HA 0.426 4.986 4.556 0.007 0.000 0.371 179 H C -0.973 174.149 175.328 -0.342 0.000 1.161 179 H CA -0.249 55.703 56.048 -0.160 0.000 1.167 179 H CB 0.961 30.696 29.762 -0.045 0.000 1.732 179 H HN -0.078 nan 8.280 nan 0.000 0.544 180 F N 0.393 120.459 119.950 0.193 0.000 2.427 180 F HA 0.320 4.851 4.527 0.008 0.000 0.348 180 F C 1.241 177.154 175.800 0.189 0.000 1.125 180 F CA -0.611 57.483 58.000 0.157 0.000 0.989 180 F CB 1.593 40.673 39.000 0.134 0.000 1.165 180 F HN 0.687 nan 8.300 nan 0.000 0.442 181 A N 1.654 124.643 122.820 0.282 0.000 1.940 181 A HA -0.179 4.145 4.320 0.007 0.000 0.219 181 A C 2.158 179.978 177.584 0.393 0.000 1.176 181 A CA 2.083 54.300 52.037 0.300 0.000 0.631 181 A CB -0.824 18.267 19.000 0.151 0.000 0.814 181 A HN 0.718 nan 8.150 nan 0.000 0.446 182 S N -0.908 114.996 115.700 0.341 0.000 2.603 182 S HA 0.010 4.484 4.470 0.007 0.000 0.229 182 S C 1.340 176.107 174.600 0.277 0.000 0.972 182 S CA 0.738 59.115 58.200 0.295 0.000 0.935 182 S CB -0.187 63.165 63.200 0.254 0.000 0.769 182 S HN 0.655 nan 8.310 nan 0.000 0.536 183 R N 0.409 121.093 120.500 0.307 0.000 2.508 183 R HA 0.294 4.639 4.340 0.007 0.000 0.300 183 R C 0.132 176.587 176.300 0.258 0.000 0.970 183 R CA 0.080 56.327 56.100 0.245 0.000 1.102 183 R CB 0.371 30.796 30.300 0.208 0.000 1.246 183 R HN 0.485 nan 8.270 nan 0.000 0.539 184 E N -0.070 120.316 120.200 0.311 0.000 2.887 184 E HA 0.206 4.561 4.350 0.007 0.000 0.206 184 E C 0.469 177.110 176.600 0.069 0.000 0.983 184 E CA 0.149 56.707 56.400 0.264 0.000 1.141 184 E CB 1.537 31.472 29.700 0.391 0.000 1.061 184 E HN 0.364 nan 8.360 nan 0.000 0.468 185 G N 0.855 109.723 108.800 0.113 0.000 2.299 185 G HA2 -0.365 3.599 3.960 0.007 0.000 0.237 185 G HA3 -0.365 3.599 3.960 0.007 0.000 0.237 185 G C 0.740 175.520 174.900 -0.199 0.000 1.027 185 G CA 0.285 45.359 45.100 -0.044 0.000 0.619 185 G HN 0.298 nan 8.290 nan 0.000 0.513 186 F N 1.406 121.382 119.950 0.044 0.000 2.149 186 F HA 0.406 4.937 4.527 0.007 0.000 0.294 186 F C 2.081 177.961 175.800 0.134 0.000 1.095 186 F CA 1.968 59.994 58.000 0.043 0.000 1.276 186 F CB -0.544 38.480 39.000 0.041 0.000 1.023 186 F HN 1.207 nan 8.300 nan 0.000 0.480 187 G N -0.628 108.384 108.800 0.354 0.000 2.699 187 G HA2 0.355 4.319 3.960 0.007 0.000 0.686 187 G HA3 0.355 4.319 3.960 0.007 0.000 0.686 187 G C -0.491 174.546 174.900 0.229 0.000 1.301 187 G CA -0.761 44.484 45.100 0.242 0.000 0.816 187 G HN 0.877 nan 8.290 nan 0.000 0.595 188 G N -1.099 107.808 108.800 0.179 0.000 2.646 188 G HA2 0.677 4.642 3.960 0.007 0.000 0.291 188 G HA3 0.677 4.642 3.960 0.007 0.000 0.291 188 G C -0.202 174.773 174.900 0.125 0.000 1.445 188 G CA -0.479 44.712 45.100 0.151 0.000 0.814 188 G HN 1.191 nan 8.290 nan 0.000 0.495 189 I N 1.565 122.196 120.570 0.102 0.000 2.906 189 I HA -0.043 4.131 4.170 0.007 0.000 0.302 189 I C 0.384 176.550 176.117 0.082 0.000 1.220 189 I CA 0.575 61.926 61.300 0.085 0.000 1.441 189 I CB 0.348 38.375 38.000 0.045 0.000 1.336 189 I HN 0.142 nan 8.210 nan 0.000 0.565 190 M N 6.525 126.184 119.600 0.098 0.000 2.472 190 M HA 0.455 4.939 4.480 0.007 0.000 0.331 190 M C -0.477 175.895 176.300 0.120 0.000 1.170 190 M CA -0.489 54.877 55.300 0.109 0.000 1.009 190 M CB 1.745 34.416 32.600 0.117 0.000 1.672 190 M HN 0.517 nan 8.290 nan 0.000 0.453 191 Q N 1.745 121.628 119.800 0.137 0.000 2.433 191 Q HA 0.810 5.155 4.340 0.007 0.000 0.279 191 Q C -1.186 174.947 176.000 0.222 0.000 1.105 191 Q CA -0.695 55.240 55.803 0.221 0.000 0.815 191 Q CB 3.915 32.798 28.738 0.243 0.000 1.403 191 Q HN 0.702 nan 8.270 nan 0.000 0.435 192 M N 1.573 121.357 119.600 0.307 0.000 2.421 192 M HA 0.411 4.895 4.480 0.007 0.000 0.287 192 M C -2.059 174.427 176.300 0.311 0.000 1.183 192 M CA -0.666 54.778 55.300 0.240 0.000 0.916 192 M CB 2.276 35.014 32.600 0.230 0.000 1.701 192 M HN 0.556 nan 8.290 nan 0.000 0.470 193 K N 3.241 123.735 120.400 0.156 0.000 2.307 193 K HA 0.647 4.972 4.320 0.007 0.000 0.263 193 K C -1.693 175.108 176.600 0.334 0.000 0.973 193 K CA -0.557 55.849 56.287 0.197 0.000 0.846 193 K CB 2.002 34.435 32.500 -0.110 0.000 1.100 193 K HN 0.513 nan 8.250 nan 0.000 0.438 194 F N 2.203 122.323 119.950 0.283 0.000 2.578 194 F HA 0.481 5.012 4.527 0.007 0.000 0.311 194 F C -1.603 174.431 175.800 0.390 0.000 1.094 194 F CA -1.049 57.119 58.000 0.279 0.000 0.923 194 F CB 1.858 41.029 39.000 0.283 0.000 1.230 194 F HN 0.782 nan 8.300 nan 0.000 0.450 195 C N 9.030 127.965 119.300 -0.609 0.000 2.381 195 C HA 0.541 5.006 4.460 0.007 0.000 0.328 195 C C -1.720 172.839 174.990 -0.718 0.000 1.190 195 C CA -1.619 57.212 59.018 -0.313 0.000 1.369 195 C CB 1.138 28.762 27.740 -0.194 0.000 2.029 195 C HN 0.752 nan 8.230 nan 0.000 0.448 196 P HA -0.002 nan 4.420 nan 0.000 0.221 196 P C 0.811 178.044 177.300 -0.113 0.000 1.155 196 P CA 1.443 64.407 63.100 -0.228 0.000 0.812 196 P CB 0.586 32.292 31.700 0.011 0.000 0.801 197 E N -0.777 119.394 120.200 -0.050 0.000 2.112 197 E HA -0.050 4.305 4.350 0.007 0.000 0.190 197 E C 0.130 176.497 176.600 -0.389 0.000 0.979 197 E CA 0.811 57.096 56.400 -0.192 0.000 0.814 197 E CB -0.615 28.954 29.700 -0.219 0.000 0.762 197 E HN 0.368 nan 8.360 nan 0.000 0.460 198 Y N 0.862 121.073 120.300 -0.149 0.000 2.594 198 Y HA 0.269 4.823 4.550 0.007 0.000 0.342 198 Y C 0.074 175.889 175.900 -0.141 0.000 1.010 198 Y CA -1.177 56.824 58.100 -0.166 0.000 1.270 198 Y CB 0.439 38.786 38.460 -0.190 0.000 1.125 198 Y HN -0.204 nan 8.280 nan 0.000 0.513 199 V N 0.039 119.930 119.914 -0.039 0.000 2.732 199 V HA 0.730 4.854 4.120 0.007 0.000 0.310 199 V C 0.248 176.356 176.094 0.023 0.000 1.053 199 V CA -1.137 61.167 62.300 0.007 0.000 0.957 199 V CB 1.563 33.424 31.823 0.063 0.000 1.018 199 V HN 0.650 nan 8.190 nan 0.000 0.452 200 S N 2.311 118.046 115.700 0.057 0.000 2.584 200 S HA 0.597 5.071 4.470 0.007 0.000 0.270 200 S C -0.192 174.479 174.600 0.118 0.000 1.346 200 S CA -0.480 57.762 58.200 0.071 0.000 1.018 200 S CB 1.157 64.400 63.200 0.071 0.000 0.899 200 S HN 1.126 nan 8.310 nan 0.000 0.542 201 V N 2.861 122.826 119.914 0.086 0.000 2.680 201 V HA 0.782 4.906 4.120 0.007 0.000 0.309 201 V C -0.612 175.544 176.094 0.103 0.000 1.052 201 V CA -0.796 61.517 62.300 0.021 0.000 0.908 201 V CB 1.177 32.959 31.823 -0.068 0.000 1.001 201 V HN 0.939 nan 8.190 nan 0.000 0.431 202 F N 1.930 121.891 119.950 0.018 0.000 2.626 202 F HA 0.866 5.397 4.527 0.006 0.000 0.311 202 F C -0.883 174.952 175.800 0.059 0.000 1.088 202 F CA -1.298 56.712 58.000 0.016 0.000 0.949 202 F CB 1.930 40.923 39.000 -0.010 0.000 1.322 202 F HN 0.524 nan 8.300 nan 0.000 0.461 203 N N -0.489 118.319 118.700 0.179 0.000 2.397 203 N HA 0.478 5.222 4.740 0.007 0.000 0.291 203 N C -1.484 174.125 175.510 0.165 0.000 1.065 203 N CA -0.524 52.593 53.050 0.112 0.000 0.884 203 N CB 1.205 39.692 38.487 0.000 0.000 1.551 203 N HN 1.088 nan 8.380 nan 0.000 0.487 204 N N 0.792 119.592 118.700 0.166 0.000 2.470 204 N HA 0.476 5.220 4.740 0.007 0.000 0.268 204 N C 1.599 177.146 175.510 0.062 0.000 1.136 204 N CA -0.244 52.885 53.050 0.130 0.000 0.961 204 N CB 0.441 38.991 38.487 0.105 0.000 1.067 204 N HN 0.821 nan 8.380 nan 0.000 0.468 205 V N 0.955 120.922 119.914 0.088 0.000 2.261 205 V HA -0.159 3.966 4.120 0.007 0.000 0.246 205 V C 2.696 178.804 176.094 0.024 0.000 1.047 205 V CA 3.158 65.468 62.300 0.017 0.000 1.015 205 V CB -1.505 30.375 31.823 0.095 0.000 0.642 205 V HN 0.998 nan 8.190 nan 0.000 0.446 206 Q N -0.157 119.688 119.800 0.076 0.000 2.500 206 Q HA 0.373 4.718 4.340 0.007 0.000 0.213 206 Q C 1.106 177.149 176.000 0.072 0.000 0.974 206 Q CA 1.746 57.596 55.803 0.078 0.000 0.918 206 Q CB -1.111 27.682 28.738 0.092 0.000 0.980 206 Q HN 1.368 nan 8.270 nan 0.000 0.505 207 E N -1.135 119.103 120.200 0.064 0.000 2.266 207 E HA 0.602 4.956 4.350 0.007 0.000 0.268 207 E C -0.550 176.094 176.600 0.073 0.000 0.879 207 E CA -0.342 56.106 56.400 0.079 0.000 0.762 207 E CB 0.412 30.167 29.700 0.091 0.000 1.199 207 E HN 0.947 nan 8.360 nan 0.000 0.422 208 N N 0.125 118.881 118.700 0.094 0.000 2.514 208 N HA 0.558 5.302 4.740 0.007 0.000 0.277 208 N C 0.383 175.967 175.510 0.122 0.000 1.126 208 N CA -0.032 53.075 53.050 0.094 0.000 0.978 208 N CB 0.879 39.432 38.487 0.111 0.000 1.106 208 N HN 1.070 nan 8.380 nan 0.000 0.461 209 K N 0.560 121.012 120.400 0.088 0.000 2.155 209 K HA 0.555 4.879 4.320 0.007 0.000 0.240 209 K C 1.493 178.095 176.600 0.004 0.000 1.193 209 K CA 0.021 56.334 56.287 0.043 0.000 1.104 209 K CB -1.046 31.430 32.500 -0.039 0.000 1.558 209 K HN 2.258 nan 8.250 nan 0.000 0.313 210 G N -0.146 108.681 108.800 0.045 0.000 2.189 210 G HA2 0.106 4.071 3.960 0.007 0.000 0.267 210 G HA3 0.106 4.071 3.960 0.007 0.000 0.267 210 G C 0.807 175.747 174.900 0.067 0.000 0.975 210 G CA 0.848 45.973 45.100 0.041 0.000 0.644 210 G HN 2.375 nan 8.290 nan 0.000 0.537 211 A N -2.415 120.457 122.820 0.088 0.000 2.416 211 A HA 0.428 4.752 4.320 0.007 0.000 0.293 211 A C 0.885 178.542 177.584 0.121 0.000 1.452 211 A CA 2.224 54.329 52.037 0.112 0.000 0.738 211 A CB -1.595 17.468 19.000 0.105 0.000 1.123 211 A HN 2.702 nan 8.150 nan 0.000 0.389 212 S N -1.157 114.619 115.700 0.128 0.000 2.511 212 S HA 0.791 5.265 4.470 0.007 0.000 0.233 212 S C 0.939 175.625 174.600 0.142 0.000 1.104 212 S CA 0.264 58.556 58.200 0.154 0.000 1.129 212 S CB 0.048 63.325 63.200 0.128 0.000 1.159 212 S HN 2.053 nan 8.310 nan 0.000 0.451 213 I N 0.464 121.103 120.570 0.115 0.000 2.756 213 I HA 0.261 4.435 4.170 0.007 0.000 0.262 213 I C 1.474 177.447 176.117 -0.240 0.000 1.225 213 I CA 1.311 62.556 61.300 -0.093 0.000 1.472 213 I CB -1.401 36.431 38.000 -0.280 0.000 1.094 213 I HN 0.728 nan 8.210 nan 0.000 0.454 214 F N 0.137 120.108 119.950 0.034 0.000 2.727 214 F HA 0.285 4.816 4.527 0.008 0.000 0.302 214 F C 1.211 177.032 175.800 0.034 0.000 1.097 214 F CA -0.122 57.898 58.000 0.032 0.000 1.330 214 F CB -0.118 38.901 39.000 0.032 0.000 1.084 214 F HN 0.324 nan 8.300 nan 0.000 0.578 215 N N 0.483 119.286 118.700 0.172 0.000 2.525 215 N HA 0.324 5.068 4.740 0.007 0.000 0.288 215 N C -0.369 175.183 175.510 0.070 0.000 1.242 215 N CA -0.610 52.508 53.050 0.113 0.000 0.905 215 N CB 1.209 39.756 38.487 0.099 0.000 1.258 215 N HN -0.031 nan 8.380 nan 0.000 0.551 216 R N 0.745 121.281 120.500 0.060 0.000 2.442 216 R HA 0.168 4.512 4.340 0.007 0.000 0.291 216 R C 0.199 176.501 176.300 0.003 0.000 1.069 216 R CA -0.077 56.049 56.100 0.043 0.000 1.022 216 R CB 0.523 30.871 30.300 0.080 0.000 0.976 216 R HN 0.557 nan 8.270 nan 0.000 0.443 217 R N 0.721 121.213 120.500 -0.014 0.000 2.828 217 R HA 0.771 5.115 4.340 0.007 0.000 0.264 217 R C -0.222 176.005 176.300 -0.122 0.000 1.022 217 R CA -0.237 55.831 56.100 -0.054 0.000 1.021 217 R CB 1.485 31.791 30.300 0.010 0.000 1.163 217 R HN 0.707 nan 8.270 nan 0.000 0.494 218 G N -0.289 108.399 108.800 -0.186 0.000 2.655 218 G HA2 -0.081 3.883 3.960 0.007 0.000 0.680 218 G HA3 -0.081 3.883 3.960 0.007 0.000 0.680 218 G C -1.705 172.903 174.900 -0.486 0.000 1.302 218 G CA -0.608 44.362 45.100 -0.218 0.000 0.872 218 G HN 0.498 nan 8.290 nan 0.000 0.540 219 Y N -0.815 119.073 120.300 -0.686 0.000 2.512 219 Y HA 0.701 5.255 4.550 0.007 0.000 0.348 219 Y C 0.611 176.013 175.900 -0.830 0.000 0.990 219 Y CA -0.875 56.727 58.100 -0.830 0.000 1.033 219 Y CB 1.763 39.642 38.460 -0.968 0.000 1.259 219 Y HN 0.757 nan 8.280 nan 0.000 0.461 220 F N -1.284 118.431 119.950 -0.392 0.000 2.432 220 F HA 0.823 5.354 4.527 0.007 0.000 0.329 220 F C 0.108 175.884 175.800 -0.040 0.000 1.076 220 F CA -1.199 56.624 58.000 -0.295 0.000 1.018 220 F CB 0.670 39.402 39.000 -0.446 0.000 1.201 220 F HN 0.262 nan 8.300 nan 0.000 0.489 221 S N 0.378 116.266 115.700 0.313 0.000 2.592 221 S HA 0.074 4.549 4.470 0.007 0.000 0.271 221 S C -0.638 174.216 174.600 0.422 0.000 1.326 221 S CA -0.612 57.801 58.200 0.354 0.000 1.024 221 S CB 0.567 63.941 63.200 0.289 0.000 0.921 221 S HN 0.706 nan 8.310 nan 0.000 0.527 222 D N 2.347 122.994 120.400 0.411 0.000 2.339 222 D HA 0.179 4.823 4.640 0.007 0.000 0.241 222 D C -1.338 175.165 176.300 0.338 0.000 1.183 222 D CA -2.163 52.150 54.000 0.522 0.000 0.859 222 D CB 1.248 42.312 40.800 0.440 0.000 1.067 222 D HN 0.132 nan 8.370 nan 0.000 0.484 223 P HA -0.181 nan 4.420 nan 0.000 0.220 223 P C 0.973 178.438 177.300 0.275 0.000 1.144 223 P CA 0.805 64.055 63.100 0.250 0.000 0.800 223 P CB 0.288 32.071 31.700 0.138 0.000 0.772 224 A N -0.239 122.709 122.820 0.215 0.000 1.929 224 A HA -0.112 4.212 4.320 0.007 0.000 0.216 224 A C 2.185 179.760 177.584 -0.014 0.000 1.176 224 A CA 1.159 53.251 52.037 0.092 0.000 0.628 224 A CB -1.411 17.655 19.000 0.111 0.000 0.816 224 A HN 0.206 nan 8.150 nan 0.000 0.444 225 L N -0.132 121.112 121.223 0.035 0.000 2.109 225 L HA 0.027 4.371 4.340 0.007 0.000 0.207 225 L C 2.104 179.004 176.870 0.049 0.000 1.086 225 L CA 1.424 56.251 54.840 -0.022 0.000 0.760 225 L CB -0.371 41.693 42.059 0.008 0.000 0.910 225 L HN 0.406 nan 8.230 nan 0.000 0.437 226 I N -1.014 119.639 120.570 0.139 0.000 2.226 226 I HA -0.275 3.900 4.170 0.007 0.000 0.245 226 I C 2.305 178.565 176.117 0.239 0.000 1.100 226 I CA 1.083 62.511 61.300 0.213 0.000 1.374 226 I CB -0.373 37.802 38.000 0.292 0.000 1.057 226 I HN 0.324 nan 8.210 nan 0.000 0.413 227 L N 0.400 121.694 121.223 0.120 0.000 2.056 227 L HA -0.142 4.202 4.340 0.007 0.000 0.207 227 L C 2.383 179.125 176.870 -0.214 0.000 1.078 227 L CA 1.799 56.483 54.840 -0.261 0.000 0.749 227 L CB -0.435 41.300 42.059 -0.541 0.000 0.901 227 L HN 0.142 nan 8.230 nan 0.000 0.433 228 M N -1.645 117.847 119.600 -0.180 0.000 2.229 228 M HA -0.213 4.272 4.480 0.007 0.000 0.264 228 M C 2.256 178.464 176.300 -0.154 0.000 1.063 228 M CA 1.664 56.835 55.300 -0.215 0.000 1.114 228 M CB -0.604 31.847 32.600 -0.249 0.000 1.387 228 M HN 0.456 nan 8.290 nan 0.000 0.420 229 H N 0.741 119.728 119.070 -0.137 0.000 2.321 229 H HA -0.139 4.421 4.556 0.007 0.000 0.300 229 H C 1.933 177.166 175.328 -0.159 0.000 1.087 229 H CA 1.872 57.841 56.048 -0.131 0.000 1.319 229 H CB 0.247 29.999 29.762 -0.016 0.000 1.379 229 H HN 0.189 nan 8.280 nan 0.000 0.501 230 E N 0.614 120.877 120.200 0.105 0.000 2.110 230 E HA -0.129 4.226 4.350 0.007 0.000 0.193 230 E C 2.544 179.116 176.600 -0.047 0.000 0.988 230 E CA 0.839 57.318 56.400 0.132 0.000 0.804 230 E CB -0.291 29.507 29.700 0.163 0.000 0.745 230 E HN 0.563 nan 8.360 nan 0.000 0.458 231 L N 0.477 121.606 121.223 -0.157 0.000 2.191 231 L HA -0.132 4.212 4.340 0.007 0.000 0.212 231 L C 2.419 179.117 176.870 -0.286 0.000 1.103 231 L CA 0.654 55.370 54.840 -0.207 0.000 0.769 231 L CB -0.360 41.533 42.059 -0.276 0.000 0.908 231 L HN 0.099 nan 8.230 nan 0.000 0.438 232 I N -1.234 119.097 120.570 -0.397 0.000 2.252 232 I HA -0.272 3.902 4.170 0.007 0.000 0.245 232 I C 2.597 178.300 176.117 -0.690 0.000 1.102 232 I CA 0.885 61.833 61.300 -0.587 0.000 1.385 232 I CB -0.486 37.134 38.000 -0.634 0.000 1.064 232 I HN 0.306 nan 8.210 nan 0.000 0.414 233 H N 0.222 119.053 119.070 -0.400 0.000 2.387 233 H HA -0.104 4.456 4.556 0.007 0.000 0.299 233 H C 2.507 177.763 175.328 -0.120 0.000 1.090 233 H CA 1.430 57.342 56.048 -0.227 0.000 1.332 233 H CB -0.375 29.337 29.762 -0.084 0.000 1.386 233 H HN 0.164 nan 8.280 nan 0.000 0.516 234 V N 1.268 121.189 119.914 0.011 0.000 2.295 234 V HA -0.232 3.892 4.120 0.007 0.000 0.246 234 V C 2.728 178.836 176.094 0.024 0.000 1.049 234 V CA 1.520 63.839 62.300 0.032 0.000 1.024 234 V CB -0.751 31.076 31.823 0.006 0.000 0.648 234 V HN 0.192 nan 8.190 nan 0.000 0.447 235 L N 0.088 121.257 121.223 -0.089 0.000 1.989 235 L HA -0.244 4.100 4.340 0.007 0.000 0.211 235 L C 2.379 179.339 176.870 0.151 0.000 1.071 235 L CA 2.241 57.055 54.840 -0.043 0.000 0.749 235 L CB -0.975 40.908 42.059 -0.293 0.000 0.890 235 L HN 0.472 nan 8.230 nan 0.000 0.431 236 H N -1.428 117.661 119.070 0.031 0.000 2.352 236 H HA -0.101 4.459 4.556 0.007 0.000 0.299 236 H C 2.057 177.477 175.328 0.153 0.000 1.097 236 H CA 0.652 56.743 56.048 0.072 0.000 1.311 236 H CB -0.342 29.447 29.762 0.046 0.000 1.377 236 H HN 0.553 nan 8.280 nan 0.000 0.504 237 G N 0.595 109.553 108.800 0.264 0.000 2.408 237 G HA2 -0.182 3.782 3.960 0.007 0.000 0.217 237 G HA3 -0.182 3.782 3.960 0.007 0.000 0.217 237 G C 1.657 176.682 174.900 0.209 0.000 1.150 237 G CA 0.428 45.659 45.100 0.218 0.000 0.776 237 G HN 0.217 nan 8.290 nan 0.000 0.542 238 L N -1.111 120.226 121.223 0.189 0.000 2.093 238 L HA 0.003 4.347 4.340 0.007 0.000 0.208 238 L C 2.223 179.104 176.870 0.019 0.000 1.085 238 L CA 0.741 55.641 54.840 0.099 0.000 0.755 238 L CB -0.241 41.849 42.059 0.053 0.000 0.904 238 L HN 0.189 nan 8.230 nan 0.000 0.435 239 Y N 0.100 120.453 120.300 0.089 0.000 2.502 239 Y HA 0.158 4.712 4.550 0.007 0.000 0.295 239 Y C 1.704 177.770 175.900 0.276 0.000 1.193 239 Y CA 0.362 58.524 58.100 0.103 0.000 1.295 239 Y CB -0.314 38.209 38.460 0.105 0.000 1.059 239 Y HN 0.261 nan 8.280 nan 0.000 0.514 240 G N 1.661 110.665 108.800 0.341 0.000 2.221 240 G HA2 -0.315 3.649 3.960 0.007 0.000 0.265 240 G HA3 -0.315 3.649 3.960 0.007 0.000 0.265 240 G C 0.673 175.784 174.900 0.352 0.000 1.041 240 G CA 0.735 46.036 45.100 0.335 0.000 0.807 240 G HN 0.684 nan 8.290 nan 0.000 0.502 241 I N -3.029 117.732 120.570 0.317 0.000 3.936 241 I HA 0.519 4.693 4.170 0.007 0.000 0.330 241 I C 0.953 177.138 176.117 0.113 0.000 1.509 241 I CA -0.320 61.110 61.300 0.216 0.000 1.126 241 I CB 0.513 38.606 38.000 0.155 0.000 1.115 241 I HN 0.038 nan 8.210 nan 0.000 0.424 242 K N 3.149 123.639 120.400 0.150 0.000 3.216 242 K HA 0.205 4.530 4.320 0.007 0.000 0.277 242 K C 0.306 176.947 176.600 0.068 0.000 1.246 242 K CA -0.284 56.068 56.287 0.108 0.000 1.227 242 K CB -0.132 32.452 32.500 0.141 0.000 1.487 242 K HN 0.487 nan 8.250 nan 0.000 0.341 243 V N -1.294 118.664 119.914 0.074 0.000 2.963 243 V HA 0.183 4.308 4.120 0.007 0.000 0.306 243 V C -0.038 176.070 176.094 0.024 0.000 1.077 243 V CA -0.550 61.791 62.300 0.068 0.000 1.124 243 V CB 1.065 32.943 31.823 0.092 0.000 0.987 243 V HN 0.188 nan 8.190 nan 0.000 0.487 244 D N 1.895 122.307 120.400 0.020 0.000 2.181 244 D HA 0.636 5.280 4.640 0.007 0.000 0.248 244 D C -0.311 175.995 176.300 0.010 0.000 1.020 244 D CA -0.061 53.934 54.000 -0.007 0.000 0.891 244 D CB 1.517 42.306 40.800 -0.018 0.000 1.187 244 D HN 0.907 nan 8.370 nan 0.000 0.443 245 D N 0.386 120.782 120.400 -0.007 0.000 3.057 245 D HA 0.146 4.791 4.640 0.007 0.000 0.328 245 D C -1.078 175.214 176.300 -0.013 0.000 1.317 245 D CA -0.593 53.410 54.000 0.005 0.000 0.973 245 D CB 1.173 41.985 40.800 0.021 0.000 1.424 245 D HN 0.163 nan 8.370 nan 0.000 0.569 246 L N 3.216 124.434 121.223 -0.008 0.000 2.615 246 L HA 0.229 4.573 4.340 0.007 0.000 0.271 246 L C -2.015 174.823 176.870 -0.054 0.000 1.183 246 L CA -0.127 54.696 54.840 -0.027 0.000 0.933 246 L CB 0.141 42.190 42.059 -0.017 0.000 1.199 246 L HN 0.146 nan 8.230 nan 0.000 0.487 247 P HA 0.241 nan 4.420 nan 0.000 0.283 247 P C -0.855 176.388 177.300 -0.094 0.000 1.271 247 P CA -0.740 62.318 63.100 -0.070 0.000 0.841 247 P CB 1.311 32.983 31.700 -0.048 0.000 1.122 248 I N 1.827 122.362 120.570 -0.059 0.000 2.396 248 I HA 0.126 4.300 4.170 0.007 0.000 0.289 248 I C 0.554 176.700 176.117 0.049 0.000 1.056 248 I CA -0.420 60.857 61.300 -0.038 0.000 1.365 248 I CB 0.564 38.632 38.000 0.114 0.000 1.407 248 I HN 0.143 nan 8.210 nan 0.000 0.509 249 V N 6.615 126.521 119.914 -0.013 0.000 2.487 249 V HA 0.636 4.760 4.120 0.007 0.000 0.298 249 V C -2.567 173.502 176.094 -0.041 0.000 1.028 249 V CA -2.112 60.194 62.300 0.010 0.000 0.860 249 V CB 1.690 33.488 31.823 -0.040 0.000 0.991 249 V HN 0.528 nan 8.190 nan 0.000 0.427 250 P HA 0.149 nan 4.420 nan 0.000 0.275 250 P C -0.546 176.595 177.300 -0.265 0.000 1.227 250 P CA -0.069 62.809 63.100 -0.370 0.000 0.781 250 P CB 0.891 32.353 31.700 -0.396 0.000 0.906 251 N N 2.369 120.877 118.700 -0.321 0.000 2.520 251 N HA 0.011 4.755 4.740 0.007 0.000 0.273 251 N C 0.127 175.463 175.510 -0.290 0.000 1.155 251 N CA 0.309 53.199 53.050 -0.266 0.000 0.967 251 N CB 0.167 38.462 38.487 -0.320 0.000 1.092 251 N HN 0.353 nan 8.380 nan 0.000 0.457 252 E N 2.001 122.065 120.200 -0.226 0.000 2.876 252 E HA 0.110 4.464 4.350 0.007 0.000 0.208 252 E C 0.277 176.755 176.600 -0.204 0.000 0.981 252 E CA -0.111 56.166 56.400 -0.205 0.000 1.174 252 E CB 0.535 30.165 29.700 -0.117 0.000 1.047 252 E HN 0.567 nan 8.360 nan 0.000 0.477 253 K N 0.744 120.996 120.400 -0.246 0.000 2.366 253 K HA 0.042 4.366 4.320 0.007 0.000 0.198 253 K C 0.554 177.012 176.600 -0.238 0.000 1.044 253 K CA 0.700 56.870 56.287 -0.195 0.000 0.973 253 K CB 0.294 32.702 32.500 -0.154 0.000 0.767 253 K HN -0.130 nan 8.250 nan 0.000 0.475 254 K N 0.458 120.591 120.400 -0.444 0.000 2.259 254 K HA 0.122 4.446 4.320 0.007 0.000 0.249 254 K C 0.671 176.911 176.600 -0.601 0.000 0.942 254 K CA -0.575 55.356 56.287 -0.593 0.000 0.816 254 K CB 1.165 32.945 32.500 -1.200 0.000 1.155 254 K HN -0.064 nan 8.250 nan 0.000 0.428 255 F N 0.945 120.680 119.950 -0.359 0.000 2.307 255 F HA -0.151 4.377 4.527 0.002 0.000 0.301 255 F C 1.193 176.932 175.800 -0.102 0.000 1.076 255 F CA 0.843 58.739 58.000 -0.172 0.000 1.383 255 F CB -0.567 38.414 39.000 -0.031 0.000 1.055 255 F HN 0.433 nan 8.300 nan 0.000 0.526 256 F N -0.342 119.095 119.950 -0.855 0.000 2.765 256 F HA 0.426 4.964 4.527 0.018 0.000 0.302 256 F C 0.451 176.257 175.800 0.009 0.000 1.111 256 F CA -1.268 56.513 58.000 -0.365 0.000 1.359 256 F CB -1.247 37.553 39.000 -0.334 0.000 1.097 256 F HN -0.122 nan 8.300 nan 0.000 0.577 257 M N 1.877 121.287 119.600 -0.318 0.000 2.216 257 M HA 0.177 4.661 4.480 0.007 0.000 0.356 257 M C 0.178 176.459 176.300 -0.033 0.000 1.205 257 M CA -0.201 55.015 55.300 -0.140 0.000 1.122 257 M CB 1.237 33.599 32.600 -0.395 0.000 1.571 257 M HN 0.175 nan 8.290 nan 0.000 0.464 258 Q N 1.739 121.574 119.800 0.059 0.000 2.313 258 Q HA 0.167 4.511 4.340 0.007 0.000 0.266 258 Q C -0.984 175.054 176.000 0.063 0.000 0.989 258 Q CA 0.049 55.921 55.803 0.115 0.000 0.890 258 Q CB 0.824 29.714 28.738 0.254 0.000 1.200 258 Q HN 0.676 nan 8.270 nan 0.000 0.396 259 S N 2.739 118.506 115.700 0.113 0.000 2.480 259 S HA 0.555 5.029 4.470 0.007 0.000 0.286 259 S C -0.521 174.147 174.600 0.114 0.000 1.180 259 S CA -0.421 57.830 58.200 0.085 0.000 1.075 259 S CB 1.771 65.034 63.200 0.105 0.000 0.996 259 S HN 0.711 nan 8.310 nan 0.000 0.487 260 T N 1.509 116.128 114.554 0.109 0.000 2.749 260 T HA 0.243 4.597 4.350 0.007 0.000 0.310 260 T C -1.836 172.928 174.700 0.107 0.000 1.496 260 T CA -0.772 61.407 62.100 0.131 0.000 1.006 260 T CB 0.960 69.983 68.868 0.260 0.000 1.457 260 T HN 0.466 nan 8.240 nan 0.000 0.497 261 D N 1.609 122.062 120.400 0.089 0.000 2.382 261 D HA 0.470 5.114 4.640 0.007 0.000 0.240 261 D C 0.435 176.794 176.300 0.098 0.000 1.146 261 D CA 0.057 54.098 54.000 0.069 0.000 0.897 261 D CB 1.010 41.841 40.800 0.052 0.000 1.197 261 D HN 0.777 nan 8.370 nan 0.000 0.432 262 A N 1.735 124.592 122.820 0.061 0.000 2.520 262 A HA 0.231 4.555 4.320 0.007 0.000 0.235 262 A C 0.284 177.894 177.584 0.044 0.000 1.065 262 A CA 0.123 52.192 52.037 0.054 0.000 0.764 262 A CB -0.041 18.967 19.000 0.013 0.000 1.002 262 A HN 0.508 nan 8.150 nan 0.000 0.502 263 I N 2.495 123.088 120.570 0.039 0.000 2.355 263 I HA 0.182 4.356 4.170 0.007 0.000 0.288 263 I C -0.015 176.048 176.117 -0.090 0.000 0.999 263 I CA -0.527 60.746 61.300 -0.045 0.000 1.163 263 I CB 1.451 39.395 38.000 -0.093 0.000 1.316 263 I HN 0.598 nan 8.210 nan 0.000 0.454 264 Q N 3.431 123.164 119.800 -0.111 0.000 2.354 264 Q HA 0.277 4.622 4.340 0.007 0.000 0.244 264 Q C 1.086 176.970 176.000 -0.192 0.000 0.969 264 Q CA -0.061 55.667 55.803 -0.124 0.000 0.885 264 Q CB 1.596 30.273 28.738 -0.101 0.000 1.241 264 Q HN 0.853 nan 8.270 nan 0.000 0.461 265 A N 2.212 124.887 122.820 -0.241 0.000 1.940 265 A HA -0.221 4.103 4.320 0.007 0.000 0.219 265 A C 1.747 178.958 177.584 -0.623 0.000 1.176 265 A CA 1.743 53.505 52.037 -0.459 0.000 0.631 265 A CB -0.253 18.431 19.000 -0.527 0.000 0.814 265 A HN 0.809 nan 8.150 nan 0.000 0.446 266 E N -0.020 119.967 120.200 -0.354 0.000 2.160 266 E HA -0.253 4.102 4.350 0.007 0.000 0.195 266 E C 1.880 178.505 176.600 0.042 0.000 0.991 266 E CA 1.711 58.028 56.400 -0.139 0.000 0.810 266 E CB -0.081 29.613 29.700 -0.010 0.000 0.742 266 E HN 0.679 nan 8.360 nan 0.000 0.466 267 E N 0.439 120.635 120.200 -0.007 0.000 2.072 267 E HA -0.071 4.283 4.350 0.007 0.000 0.190 267 E C 2.303 178.910 176.600 0.012 0.000 0.982 267 E CA 0.819 57.269 56.400 0.082 0.000 0.803 267 E CB -0.305 29.359 29.700 -0.060 0.000 0.755 267 E HN 0.284 nan 8.360 nan 0.000 0.453 268 L N -0.230 120.919 121.223 -0.124 0.000 2.141 268 L HA -0.147 4.197 4.340 0.007 0.000 0.209 268 L C 2.143 179.172 176.870 0.264 0.000 1.094 268 L CA 0.838 55.674 54.840 -0.007 0.000 0.763 268 L CB -0.533 41.502 42.059 -0.040 0.000 0.908 268 L HN 0.226 nan 8.230 nan 0.000 0.437 269 Y N 0.419 120.791 120.300 0.120 0.000 2.163 269 Y HA -0.188 4.366 4.550 0.007 0.000 0.288 269 Y C 2.924 178.888 175.900 0.107 0.000 1.136 269 Y CA 1.070 59.254 58.100 0.139 0.000 1.147 269 Y CB -1.472 37.004 38.460 0.026 0.000 0.987 269 Y HN 0.135 nan 8.280 nan 0.000 0.509 270 T N 0.513 115.221 114.554 0.255 0.000 2.759 270 T HA -0.231 4.123 4.350 0.007 0.000 0.269 270 T C 1.737 176.457 174.700 0.032 0.000 1.042 270 T CA 1.592 63.701 62.100 0.015 0.000 1.140 270 T CB -0.679 68.005 68.868 -0.306 0.000 0.864 270 T HN 0.291 nan 8.240 nan 0.000 0.455 271 F N 1.339 121.341 119.950 0.087 0.000 2.163 271 F HA 0.277 4.809 4.527 0.008 0.000 0.297 271 F C 1.585 177.447 175.800 0.103 0.000 1.094 271 F CA 1.090 59.177 58.000 0.145 0.000 1.290 271 F CB -0.595 38.516 39.000 0.186 0.000 1.017 271 F HN 0.385 nan 8.300 nan 0.000 0.483 272 G N -0.250 108.637 108.800 0.144 0.000 2.584 272 G HA2 0.229 4.194 3.960 0.007 0.000 0.229 272 G HA3 0.229 4.194 3.960 0.007 0.000 0.229 272 G C 0.728 175.688 174.900 0.100 0.000 1.320 272 G CA 0.016 45.154 45.100 0.062 0.000 0.891 272 G HN 1.542 nan 8.290 nan 0.000 0.573 273 G N -1.034 107.778 108.800 0.020 0.000 2.583 273 G HA2 -0.069 3.895 3.960 0.007 0.000 0.292 273 G HA3 -0.069 3.895 3.960 0.007 0.000 0.292 273 G C 1.308 176.298 174.900 0.150 0.000 1.203 273 G CA 2.300 47.443 45.100 0.072 0.000 0.987 273 G HN 2.373 nan 8.290 nan 0.000 0.554 274 Q N -0.184 119.731 119.800 0.191 0.000 2.378 274 Q HA 0.092 4.436 4.340 0.007 0.000 0.205 274 Q C 1.673 177.802 176.000 0.214 0.000 0.954 274 Q CA 1.656 57.564 55.803 0.175 0.000 0.901 274 Q CB -0.036 28.785 28.738 0.139 0.000 0.981 274 Q HN 0.563 nan 8.270 nan 0.000 0.483 275 D N 2.058 122.631 120.400 0.290 0.000 2.158 275 D HA -0.120 4.524 4.640 0.007 0.000 0.197 275 D C -0.732 175.736 176.300 0.280 0.000 0.995 275 D CA 1.075 55.254 54.000 0.298 0.000 0.846 275 D CB -1.373 39.630 40.800 0.339 0.000 0.941 275 D HN 0.374 nan 8.370 nan 0.000 0.456 276 P HA -0.008 nan 4.420 nan 0.000 0.222 276 P C 1.114 178.593 177.300 0.297 0.000 1.147 276 P CA 0.989 64.320 63.100 0.386 0.000 0.790 276 P CB 0.088 31.996 31.700 0.346 0.000 0.780 277 S N -1.137 114.702 115.700 0.233 0.000 2.515 277 S HA 0.025 4.499 4.470 0.007 0.000 0.231 277 S C 1.583 176.311 174.600 0.212 0.000 0.987 277 S CA 0.648 58.979 58.200 0.219 0.000 0.936 277 S CB -0.792 62.531 63.200 0.205 0.000 0.766 277 S HN 0.203 nan 8.310 nan 0.000 0.528 278 I N 1.000 121.694 120.570 0.206 0.000 3.251 278 I HA 0.055 4.229 4.170 0.007 0.000 0.277 278 I C -0.269 175.983 176.117 0.225 0.000 1.268 278 I CA 0.414 61.832 61.300 0.198 0.000 1.449 278 I CB 0.178 38.271 38.000 0.155 0.000 1.083 278 I HN 0.155 nan 8.210 nan 0.000 0.464 279 I N 2.183 122.885 120.570 0.221 0.000 2.297 279 I HA 0.084 4.258 4.170 0.007 0.000 0.291 279 I C 0.977 177.236 176.117 0.236 0.000 1.033 279 I CA -0.205 61.219 61.300 0.206 0.000 1.253 279 I CB 0.467 38.590 38.000 0.204 0.000 1.396 279 I HN 0.102 nan 8.210 nan 0.000 0.476 280 T N 4.756 119.445 114.554 0.224 0.000 2.906 280 T HA 0.116 4.471 4.350 0.007 0.000 0.320 280 T C -1.713 173.095 174.700 0.179 0.000 1.088 280 T CA -0.844 61.371 62.100 0.193 0.000 1.120 280 T CB 0.573 69.548 68.868 0.178 0.000 1.000 280 T HN 0.324 nan 8.240 nan 0.000 0.550 281 P HA -0.068 nan 4.420 nan 0.000 0.218 281 P C 1.781 179.139 177.300 0.097 0.000 1.148 281 P CA 0.988 64.172 63.100 0.140 0.000 0.822 281 P CB -0.074 31.708 31.700 0.137 0.000 0.784 282 S N -1.108 114.641 115.700 0.081 0.000 2.348 282 S HA -0.141 4.333 4.470 0.007 0.000 0.221 282 S C 1.923 176.576 174.600 0.088 0.000 1.033 282 S CA 1.946 60.181 58.200 0.059 0.000 1.010 282 S CB -1.434 61.796 63.200 0.051 0.000 0.891 282 S HN 0.261 nan 8.310 nan 0.000 0.442 283 T N 2.069 116.693 114.554 0.117 0.000 2.904 283 T HA -0.063 4.291 4.350 0.007 0.000 0.267 283 T C 1.360 176.173 174.700 0.188 0.000 1.059 283 T CA 1.059 63.235 62.100 0.127 0.000 1.137 283 T CB -0.425 68.509 68.868 0.111 0.000 0.879 283 T HN 0.275 nan 8.240 nan 0.000 0.467 284 D N 1.455 121.999 120.400 0.239 0.000 2.104 284 D HA -0.063 4.581 4.640 0.007 0.000 0.194 284 D C 2.159 178.625 176.300 0.277 0.000 0.994 284 D CA 1.139 55.351 54.000 0.353 0.000 0.830 284 D CB -0.113 40.877 40.800 0.316 0.000 0.959 284 D HN 0.363 nan 8.370 nan 0.000 0.452 285 K N 0.390 120.884 120.400 0.157 0.000 2.148 285 K HA -0.048 4.276 4.320 0.007 0.000 0.204 285 K C 2.224 178.911 176.600 0.146 0.000 1.050 285 K CA 0.651 57.002 56.287 0.105 0.000 0.942 285 K CB -0.090 32.421 32.500 0.018 0.000 0.724 285 K HN -0.068 nan 8.250 nan 0.000 0.446 286 S N 1.300 117.077 115.700 0.128 0.000 2.356 286 S HA -0.120 4.354 4.470 0.007 0.000 0.223 286 S C 1.926 176.603 174.600 0.128 0.000 1.032 286 S CA 1.068 59.331 58.200 0.106 0.000 1.005 286 S CB -0.167 63.084 63.200 0.086 0.000 0.867 286 S HN 0.193 nan 8.310 nan 0.000 0.449 287 I N -0.044 120.634 120.570 0.180 0.000 2.252 287 I HA -0.131 4.043 4.170 0.007 0.000 0.245 287 I C 2.251 178.485 176.117 0.194 0.000 1.102 287 I CA 1.517 62.941 61.300 0.206 0.000 1.385 287 I CB -0.515 37.665 38.000 0.301 0.000 1.064 287 I HN 0.398 nan 8.210 nan 0.000 0.414 288 Y N 2.172 122.485 120.300 0.022 0.000 2.097 288 Y HA -0.336 4.218 4.550 0.007 0.000 0.282 288 Y C 2.236 178.050 175.900 -0.144 0.000 1.152 288 Y CA 1.974 59.913 58.100 -0.268 0.000 1.136 288 Y CB -0.254 38.049 38.460 -0.261 0.000 0.975 288 Y HN 0.192 nan 8.280 nan 0.000 0.498 289 D N 0.096 120.565 120.400 0.114 0.000 2.123 289 D HA -0.173 4.471 4.640 0.007 0.000 0.196 289 D C 2.028 178.289 176.300 -0.064 0.000 0.992 289 D CA 1.585 55.592 54.000 0.011 0.000 0.833 289 D CB -0.247 40.587 40.800 0.057 0.000 0.954 289 D HN 0.404 nan 8.370 nan 0.000 0.455 290 K N 0.271 120.665 120.400 -0.010 0.000 2.057 290 K HA -0.069 4.255 4.320 0.007 0.000 0.207 290 K C 2.173 178.757 176.600 -0.026 0.000 1.049 290 K CA 0.588 56.874 56.287 -0.001 0.000 0.931 290 K CB -0.039 32.489 32.500 0.047 0.000 0.714 290 K HN -0.003 nan 8.250 nan 0.000 0.440 291 V N 1.490 121.374 119.914 -0.049 0.000 2.358 291 V HA -0.213 3.912 4.120 0.007 0.000 0.246 291 V C 2.126 178.078 176.094 -0.237 0.000 1.047 291 V CA 1.253 63.506 62.300 -0.078 0.000 1.035 291 V CB -0.347 31.456 31.823 -0.034 0.000 0.658 291 V HN 0.262 nan 8.190 nan 0.000 0.452 292 L N 0.316 121.311 121.223 -0.379 0.000 2.046 292 L HA -0.177 4.167 4.340 0.007 0.000 0.208 292 L C 2.416 179.079 176.870 -0.345 0.000 1.077 292 L CA 2.187 56.603 54.840 -0.705 0.000 0.747 292 L CB -0.940 40.596 42.059 -0.872 0.000 0.896 292 L HN 0.352 nan 8.230 nan 0.000 0.432 293 Q N -0.213 119.463 119.800 -0.206 0.000 2.124 293 Q HA -0.193 4.151 4.340 0.007 0.000 0.202 293 Q C 1.993 177.949 176.000 -0.074 0.000 0.977 293 Q CA 1.854 57.584 55.803 -0.122 0.000 0.850 293 Q CB -0.348 28.343 28.738 -0.078 0.000 0.901 293 Q HN 0.582 nan 8.270 nan 0.000 0.429 294 N N -0.707 117.983 118.700 -0.017 0.000 2.142 294 N HA -0.111 4.633 4.740 0.007 0.000 0.186 294 N C 1.277 176.823 175.510 0.060 0.000 1.023 294 N CA 1.016 54.077 53.050 0.019 0.000 0.852 294 N CB -0.348 38.208 38.487 0.114 0.000 0.998 294 N HN 0.247 nan 8.380 nan 0.000 0.424 295 F N 1.751 121.608 119.950 -0.154 0.000 2.234 295 F HA 0.040 4.572 4.527 0.007 0.000 0.299 295 F C 2.284 177.964 175.800 -0.201 0.000 1.087 295 F CA 0.565 58.499 58.000 -0.109 0.000 1.340 295 F CB -0.422 38.650 39.000 0.119 0.000 1.031 295 F HN -0.016 nan 8.300 nan 0.000 0.500 296 R N -0.374 120.093 120.500 -0.055 0.000 2.096 296 R HA -0.099 4.245 4.340 0.007 0.000 0.235 296 R C 2.544 178.715 176.300 -0.214 0.000 1.127 296 R CA 1.151 57.148 56.100 -0.172 0.000 0.968 296 R CB -1.059 29.148 30.300 -0.154 0.000 0.861 296 R HN 0.362 nan 8.270 nan 0.000 0.440 297 G N 1.277 109.952 108.800 -0.207 0.000 2.408 297 G HA2 -0.177 3.787 3.960 0.007 0.000 0.217 297 G HA3 -0.177 3.787 3.960 0.007 0.000 0.217 297 G C 1.367 176.057 174.900 -0.351 0.000 1.150 297 G CA 0.310 45.264 45.100 -0.243 0.000 0.776 297 G HN 0.060 nan 8.290 nan 0.000 0.542 298 I N 0.692 120.981 120.570 -0.469 0.000 2.233 298 I HA -0.060 4.114 4.170 0.007 0.000 0.243 298 I C 2.845 178.721 176.117 -0.401 0.000 1.093 298 I CA 0.630 61.573 61.300 -0.595 0.000 1.380 298 I CB -1.161 36.320 38.000 -0.865 0.000 1.067 298 I HN 0.098 nan 8.210 nan 0.000 0.413 299 V N 1.432 121.032 119.914 -0.524 0.000 2.490 299 V HA -0.295 3.829 4.120 0.007 0.000 0.250 299 V C 2.209 178.104 176.094 -0.331 0.000 1.061 299 V CA 2.472 64.333 62.300 -0.731 0.000 1.064 299 V CB -0.404 30.730 31.823 -1.148 0.000 0.670 299 V HN 0.388 nan 8.190 nan 0.000 0.461 300 D N -0.353 119.892 120.400 -0.258 0.000 2.117 300 D HA -0.173 4.472 4.640 0.007 0.000 0.198 300 D C 2.339 178.578 176.300 -0.102 0.000 0.982 300 D CA 1.443 55.354 54.000 -0.149 0.000 0.828 300 D CB -0.170 40.549 40.800 -0.136 0.000 0.967 300 D HN 0.393 nan 8.370 nan 0.000 0.464 301 R N -0.343 120.077 120.500 -0.133 0.000 2.091 301 R HA -0.046 4.298 4.340 0.007 0.000 0.238 301 R C 2.469 178.777 176.300 0.013 0.000 1.136 301 R CA 0.904 56.965 56.100 -0.064 0.000 0.959 301 R CB -0.291 29.934 30.300 -0.125 0.000 0.856 301 R HN 0.304 nan 8.270 nan 0.000 0.437 302 L N 0.726 121.958 121.223 0.016 0.000 2.131 302 L HA -0.170 4.174 4.340 0.007 0.000 0.210 302 L C 1.649 178.605 176.870 0.144 0.000 1.092 302 L CA 0.981 55.862 54.840 0.067 0.000 0.759 302 L CB -0.452 41.531 42.059 -0.127 0.000 0.903 302 L HN 0.258 nan 8.230 nan 0.000 0.435 303 N N 0.217 118.995 118.700 0.130 0.000 2.457 303 N HA -0.096 4.648 4.740 0.007 0.000 0.180 303 N C 1.466 177.015 175.510 0.066 0.000 1.050 303 N CA 0.962 54.102 53.050 0.151 0.000 0.906 303 N CB 0.185 38.723 38.487 0.085 0.000 0.968 303 N HN 0.413 nan 8.380 nan 0.000 0.445 304 K N -0.066 120.347 120.400 0.022 0.000 2.367 304 K HA 0.151 4.475 4.320 0.007 0.000 0.195 304 K C 0.276 176.848 176.600 -0.046 0.000 1.060 304 K CA -0.141 56.140 56.287 -0.010 0.000 1.022 304 K CB 1.104 33.590 32.500 -0.022 0.000 0.894 304 K HN -0.134 nan 8.250 nan 0.000 0.540 305 V N 2.341 122.205 119.914 -0.084 0.000 2.617 305 V HA -0.046 4.078 4.120 0.007 0.000 0.304 305 V C 0.616 176.608 176.094 -0.171 0.000 1.040 305 V CA 0.706 62.868 62.300 -0.230 0.000 1.149 305 V CB 0.366 31.871 31.823 -0.530 0.000 0.914 305 V HN 0.233 nan 8.190 nan 0.000 0.487 306 L N 6.529 127.653 121.223 -0.165 0.000 2.730 306 L HA 0.378 4.723 4.340 0.007 0.000 0.236 306 L C 0.133 176.958 176.870 -0.075 0.000 1.061 306 L CA 0.603 55.391 54.840 -0.085 0.000 0.898 306 L CB 0.906 42.936 42.059 -0.048 0.000 1.270 306 L HN 0.661 nan 8.230 nan 0.000 0.500 307 V N -4.289 115.563 119.914 -0.103 0.000 3.232 307 V HA 0.507 4.631 4.120 0.007 0.000 0.303 307 V C -1.583 174.502 176.094 -0.015 0.000 1.311 307 V CA -1.345 60.932 62.300 -0.038 0.000 1.061 307 V CB 2.169 33.986 31.823 -0.010 0.000 1.085 307 V HN 0.035 nan 8.190 nan 0.000 0.447 308 C N 4.293 123.629 119.300 0.059 0.000 2.356 308 C HA 0.665 5.129 4.460 0.007 0.000 0.324 308 C C 1.527 176.552 174.990 0.057 0.000 1.167 308 C CA -0.266 58.815 59.018 0.105 0.000 1.420 308 C CB -0.203 27.627 27.740 0.151 0.000 2.036 308 C HN 1.021 nan 8.230 nan 0.000 0.435 309 I N 4.436 125.031 120.570 0.041 0.000 2.286 309 I HA 0.008 4.182 4.170 0.007 0.000 0.245 309 I C 2.045 178.172 176.117 0.016 0.000 1.104 309 I CA 2.200 63.513 61.300 0.022 0.000 1.397 309 I CB -1.770 36.237 38.000 0.012 0.000 1.072 309 I HN 0.704 nan 8.210 nan 0.000 0.417 310 S N 0.545 116.256 115.700 0.017 0.000 2.419 310 S HA -0.151 4.323 4.470 0.007 0.000 0.233 310 S C 0.781 175.381 174.600 -0.000 0.000 1.016 310 S CA 1.012 59.212 58.200 0.001 0.000 0.974 310 S CB -0.502 62.696 63.200 -0.004 0.000 0.786 310 S HN 0.644 nan 8.310 nan 0.000 0.492 311 D N 0.900 121.311 120.400 0.019 0.000 2.336 311 D HA 0.429 5.073 4.640 0.007 0.000 0.248 311 D C -2.589 173.733 176.300 0.036 0.000 1.326 311 D CA -2.241 51.771 54.000 0.021 0.000 0.973 311 D CB 1.776 42.595 40.800 0.032 0.000 1.255 311 D HN -0.132 nan 8.370 nan 0.000 0.558 312 P HA -0.016 nan 4.420 nan 0.000 0.223 312 P C 0.729 178.056 177.300 0.045 0.000 1.144 312 P CA 0.858 63.979 63.100 0.034 0.000 0.783 312 P CB 0.218 31.932 31.700 0.023 0.000 0.771 313 N N -1.305 117.423 118.700 0.047 0.000 2.467 313 N HA 0.012 4.757 4.740 0.007 0.000 0.184 313 N C 0.017 175.580 175.510 0.088 0.000 1.106 313 N CA -0.238 52.848 53.050 0.060 0.000 0.892 313 N CB 0.030 38.548 38.487 0.053 0.000 0.969 313 N HN -0.028 nan 8.380 nan 0.000 0.454 314 I N 1.874 122.497 120.570 0.089 0.000 2.517 314 I HA -0.054 4.120 4.170 0.007 0.000 0.285 314 I C 0.375 176.574 176.117 0.137 0.000 1.106 314 I CA 0.098 61.459 61.300 0.101 0.000 1.402 314 I CB 0.069 38.066 38.000 -0.004 0.000 1.399 314 I HN 0.126 nan 8.210 nan 0.000 0.535 315 N N 7.793 126.608 118.700 0.191 0.000 2.402 315 N HA 0.052 4.796 4.740 0.007 0.000 0.252 315 N C 1.061 176.725 175.510 0.256 0.000 1.118 315 N CA -0.372 52.785 53.050 0.178 0.000 0.945 315 N CB 0.811 39.378 38.487 0.134 0.000 1.147 315 N HN 0.341 nan 8.380 nan 0.000 0.495 316 I N 2.877 123.590 120.570 0.238 0.000 2.194 316 I HA -0.307 3.867 4.170 0.007 0.000 0.246 316 I C 1.666 177.968 176.117 0.308 0.000 1.093 316 I CA 0.999 62.493 61.300 0.323 0.000 1.355 316 I CB -0.905 37.213 38.000 0.196 0.000 1.046 316 I HN 0.541 nan 8.210 nan 0.000 0.413 317 N N 1.075 119.894 118.700 0.198 0.000 2.084 317 N HA -0.135 4.609 4.740 0.007 0.000 0.190 317 N C 1.936 177.518 175.510 0.120 0.000 1.030 317 N CA 1.137 54.284 53.050 0.162 0.000 0.849 317 N CB -0.249 38.305 38.487 0.112 0.000 1.012 317 N HN 0.240 nan 8.380 nan 0.000 0.423 318 I N 0.626 121.237 120.570 0.069 0.000 2.194 318 I HA -0.277 3.897 4.170 0.007 0.000 0.246 318 I C 1.929 177.909 176.117 -0.228 0.000 1.093 318 I CA 1.312 62.567 61.300 -0.076 0.000 1.355 318 I CB -1.101 36.833 38.000 -0.111 0.000 1.046 318 I HN 0.114 nan 8.210 nan 0.000 0.413 319 Y N 1.106 121.308 120.300 -0.164 0.000 2.263 319 Y HA -0.141 4.413 4.550 0.007 0.000 0.292 319 Y C 2.599 178.359 175.900 -0.234 0.000 1.130 319 Y CA 1.299 59.148 58.100 -0.417 0.000 1.179 319 Y CB -0.312 37.833 38.460 -0.525 0.000 0.998 319 Y HN 0.101 nan 8.280 nan 0.000 0.532 320 K N -0.072 120.479 120.400 0.252 0.000 2.057 320 K HA -0.170 4.154 4.320 0.007 0.000 0.207 320 K C 1.685 178.363 176.600 0.130 0.000 1.049 320 K CA 1.461 57.913 56.287 0.276 0.000 0.931 320 K CB -0.165 32.526 32.500 0.318 0.000 0.714 320 K HN 0.270 nan 8.250 nan 0.000 0.440 321 N N 1.150 119.902 118.700 0.086 0.000 2.084 321 N HA -0.168 4.577 4.740 0.007 0.000 0.190 321 N C 1.657 177.142 175.510 -0.041 0.000 1.030 321 N CA 1.195 54.283 53.050 0.062 0.000 0.849 321 N CB -0.179 38.322 38.487 0.023 0.000 1.012 321 N HN 0.022 nan 8.380 nan 0.000 0.423 322 K N 0.687 120.954 120.400 -0.221 0.000 2.057 322 K HA 0.072 4.396 4.320 0.007 0.000 0.206 322 K C 1.851 178.307 176.600 -0.240 0.000 1.050 322 K CA 1.087 57.168 56.287 -0.343 0.000 0.935 322 K CB -0.536 31.568 32.500 -0.661 0.000 0.715 322 K HN 0.183 nan 8.250 nan 0.000 0.439 323 F N 0.856 120.784 119.950 -0.036 0.000 2.234 323 F HA -0.088 4.443 4.527 0.007 0.000 0.299 323 F C 2.297 178.118 175.800 0.035 0.000 1.087 323 F CA 0.845 58.876 58.000 0.051 0.000 1.340 323 F CB -0.087 39.055 39.000 0.236 0.000 1.031 323 F HN 0.078 nan 8.300 nan 0.000 0.500 324 K N 0.849 121.358 120.400 0.181 0.000 2.057 324 K HA -0.264 4.061 4.320 0.007 0.000 0.207 324 K C 1.566 178.212 176.600 0.078 0.000 1.049 324 K CA 2.257 58.643 56.287 0.165 0.000 0.931 324 K CB -0.324 32.318 32.500 0.237 0.000 0.714 324 K HN 0.212 nan 8.250 nan 0.000 0.440 325 D N 0.304 120.729 120.400 0.041 0.000 2.149 325 D HA -0.134 4.510 4.640 0.007 0.000 0.201 325 D C 2.007 178.276 176.300 -0.051 0.000 0.972 325 D CA 1.054 55.060 54.000 0.009 0.000 0.835 325 D CB 0.131 40.928 40.800 -0.006 0.000 0.966 325 D HN 0.202 nan 8.370 nan 0.000 0.476 326 K N -0.691 119.631 120.400 -0.129 0.000 2.020 326 K HA -0.211 4.114 4.320 0.007 0.000 0.212 326 K C 1.319 177.713 176.600 -0.342 0.000 1.050 326 K CA 1.384 57.504 56.287 -0.279 0.000 0.929 326 K CB -0.269 31.925 32.500 -0.509 0.000 0.714 326 K HN 0.309 nan 8.250 nan 0.000 0.443 327 Y N 0.722 120.805 120.300 -0.362 0.000 2.490 327 Y HA 0.139 4.693 4.550 0.007 0.000 0.281 327 Y C 0.044 175.705 175.900 -0.398 0.000 1.174 327 Y CA -0.107 57.628 58.100 -0.609 0.000 1.295 327 Y CB 0.546 38.038 38.460 -1.614 0.000 1.062 327 Y HN -0.015 nan 8.280 nan 0.000 0.522 328 K N 0.086 120.428 120.400 -0.097 0.000 3.096 328 K HA -0.211 4.113 4.320 0.007 0.000 0.266 328 K C -0.647 176.097 176.600 0.241 0.000 1.043 328 K CA 0.543 56.885 56.287 0.092 0.000 0.758 328 K CB -2.353 30.242 32.500 0.158 0.000 1.260 328 K HN 0.414 nan 8.250 nan 0.000 0.481 329 F N -0.234 119.870 119.950 0.257 0.000 2.406 329 F HA 0.262 4.793 4.527 0.007 0.000 0.327 329 F C 1.661 177.606 175.800 0.241 0.000 1.153 329 F CA -1.122 57.025 58.000 0.243 0.000 1.218 329 F CB 0.746 39.877 39.000 0.218 0.000 1.215 329 F HN -0.077 nan 8.300 nan 0.000 0.570 330 V N -0.412 119.759 119.914 0.429 0.000 2.732 330 V HA 0.597 4.721 4.120 0.007 0.000 0.310 330 V C -0.826 175.423 176.094 0.258 0.000 1.053 330 V CA -0.762 61.710 62.300 0.287 0.000 0.957 330 V CB 1.688 33.629 31.823 0.196 0.000 1.018 330 V HN 0.868 nan 8.190 nan 0.000 0.452 331 E N 1.925 122.222 120.200 0.162 0.000 2.256 331 E HA 0.446 4.801 4.350 0.007 0.000 0.268 331 E C -1.204 175.382 176.600 -0.023 0.000 0.877 331 E CA -0.726 55.676 56.400 0.002 0.000 0.757 331 E CB 2.056 31.708 29.700 -0.079 0.000 1.183 331 E HN 0.933 nan 8.360 nan 0.000 0.418 332 D N 2.289 122.652 120.400 -0.063 0.000 2.414 332 D HA -0.009 4.635 4.640 0.007 0.000 0.251 332 D C 1.012 177.283 176.300 -0.048 0.000 1.252 332 D CA 0.007 53.984 54.000 -0.037 0.000 0.999 332 D CB 0.700 41.479 40.800 -0.035 0.000 1.093 332 D HN 0.401 nan 8.370 nan 0.000 0.515 333 S N -1.409 114.275 115.700 -0.026 0.000 2.500 333 S HA -0.176 4.298 4.470 0.007 0.000 0.239 333 S C 1.144 175.724 174.600 -0.034 0.000 0.989 333 S CA 0.764 58.951 58.200 -0.022 0.000 0.951 333 S CB -0.572 62.623 63.200 -0.009 0.000 0.759 333 S HN 0.603 nan 8.310 nan 0.000 0.523 334 E N 0.467 120.636 120.200 -0.052 0.000 2.452 334 E HA 0.283 4.637 4.350 0.007 0.000 0.197 334 E C 1.173 177.718 176.600 -0.092 0.000 1.022 334 E CA 0.228 56.594 56.400 -0.056 0.000 0.890 334 E CB 0.200 29.871 29.700 -0.048 0.000 0.918 334 E HN 0.675 nan 8.360 nan 0.000 0.496 335 G N 2.386 111.095 108.800 -0.152 0.000 2.144 335 G HA2 -0.250 3.714 3.960 0.007 0.000 0.218 335 G HA3 -0.250 3.714 3.960 0.007 0.000 0.218 335 G C 0.139 174.762 174.900 -0.462 0.000 0.988 335 G CA 0.083 45.016 45.100 -0.278 0.000 0.659 335 G HN 0.062 nan 8.290 nan 0.000 0.522 336 K N 0.825 121.041 120.400 -0.306 0.000 2.258 336 K HA 0.613 4.938 4.320 0.007 0.000 0.284 336 K C -0.097 176.340 176.600 -0.272 0.000 1.051 336 K CA -0.606 55.537 56.287 -0.240 0.000 0.923 336 K CB 0.006 32.444 32.500 -0.102 0.000 1.046 336 K HN 0.233 nan 8.250 nan 0.000 0.474 337 Y N 1.798 122.099 120.300 0.003 0.000 2.320 337 Y HA 0.389 4.944 4.550 0.007 0.000 0.324 337 Y C 0.716 176.557 175.900 -0.099 0.000 1.190 337 Y CA -0.149 57.945 58.100 -0.010 0.000 1.215 337 Y CB 1.664 40.123 38.460 -0.002 0.000 1.221 337 Y HN 0.724 nan 8.280 nan 0.000 0.486 338 S N 1.361 117.104 115.700 0.072 0.000 2.625 338 S HA 0.650 5.125 4.470 0.007 0.000 0.271 338 S C -1.269 173.325 174.600 -0.010 0.000 1.161 338 S CA -1.051 57.127 58.200 -0.037 0.000 0.820 338 S CB 1.141 64.344 63.200 0.005 0.000 1.137 338 S HN 0.531 nan 8.310 nan 0.000 0.470 339 I N 1.891 122.441 120.570 -0.033 0.000 2.395 339 I HA 0.276 4.450 4.170 0.007 0.000 0.289 339 I C -0.265 175.940 176.117 0.147 0.000 1.023 339 I CA -0.196 61.167 61.300 0.105 0.000 1.350 339 I CB 0.859 38.864 38.000 0.009 0.000 1.409 339 I HN 0.698 nan 8.210 nan 0.000 0.507 340 D N 6.308 126.856 120.400 0.246 0.000 2.373 340 D HA 0.129 4.773 4.640 0.007 0.000 0.227 340 D C 0.927 177.373 176.300 0.244 0.000 1.091 340 D CA -0.406 53.719 54.000 0.210 0.000 0.840 340 D CB 1.911 42.844 40.800 0.221 0.000 1.060 340 D HN 0.260 nan 8.370 nan 0.000 0.502 341 V N 4.444 124.471 119.914 0.188 0.000 2.324 341 V HA -0.278 3.846 4.120 0.007 0.000 0.250 341 V C 2.048 178.309 176.094 0.279 0.000 1.060 341 V CA 1.762 64.197 62.300 0.224 0.000 1.042 341 V CB -0.395 31.521 31.823 0.155 0.000 0.650 341 V HN 0.536 nan 8.190 nan 0.000 0.450 342 E N 0.777 121.106 120.200 0.214 0.000 2.047 342 E HA -0.151 4.203 4.350 0.007 0.000 0.191 342 E C 2.475 179.205 176.600 0.217 0.000 0.987 342 E CA 1.616 58.133 56.400 0.196 0.000 0.799 342 E CB -0.526 29.262 29.700 0.146 0.000 0.752 342 E HN 0.761 nan 8.360 nan 0.000 0.449 343 S N 0.034 115.872 115.700 0.230 0.000 2.383 343 S HA -0.166 4.308 4.470 0.007 0.000 0.227 343 S C 2.035 176.791 174.600 0.260 0.000 1.026 343 S CA 0.821 59.157 58.200 0.227 0.000 0.981 343 S CB -0.575 62.764 63.200 0.232 0.000 0.818 343 S HN 0.316 nan 8.310 nan 0.000 0.472 344 F N 2.957 123.024 119.950 0.196 0.000 2.102 344 F HA -0.026 4.505 4.527 0.007 0.000 0.298 344 F C 2.000 177.900 175.800 0.168 0.000 1.105 344 F CA 1.821 59.931 58.000 0.184 0.000 1.239 344 F CB -0.858 38.225 39.000 0.139 0.000 0.991 344 F HN 0.241 nan 8.300 nan 0.000 0.474 345 D N 0.158 120.683 120.400 0.208 0.000 2.104 345 D HA -0.252 4.392 4.640 0.007 0.000 0.194 345 D C 2.289 178.664 176.300 0.125 0.000 0.994 345 D CA 1.760 55.881 54.000 0.200 0.000 0.830 345 D CB -0.245 40.741 40.800 0.310 0.000 0.959 345 D HN 0.321 nan 8.370 nan 0.000 0.452 346 K N -0.560 119.925 120.400 0.141 0.000 2.057 346 K HA -0.151 4.174 4.320 0.007 0.000 0.207 346 K C 2.123 178.702 176.600 -0.036 0.000 1.049 346 K CA 0.895 57.281 56.287 0.166 0.000 0.931 346 K CB -0.259 32.360 32.500 0.198 0.000 0.714 346 K HN 0.144 nan 8.250 nan 0.000 0.440 347 L N 0.581 121.757 121.223 -0.078 0.000 1.994 347 L HA -0.190 4.155 4.340 0.007 0.000 0.208 347 L C 2.152 178.830 176.870 -0.319 0.000 1.071 347 L CA 1.768 56.504 54.840 -0.173 0.000 0.745 347 L CB -0.913 41.111 42.059 -0.058 0.000 0.892 347 L HN 0.269 nan 8.230 nan 0.000 0.431 348 Y N 0.611 120.589 120.300 -0.536 0.000 2.081 348 Y HA -0.329 4.225 4.550 0.007 0.000 0.280 348 Y C 2.513 178.136 175.900 -0.460 0.000 1.163 348 Y CA 2.437 60.185 58.100 -0.587 0.000 1.135 348 Y CB -0.220 37.772 38.460 -0.780 0.000 0.970 348 Y HN 0.187 nan 8.280 nan 0.000 0.498 349 K N -0.472 119.815 120.400 -0.189 0.000 2.097 349 K HA -0.149 4.176 4.320 0.007 0.000 0.206 349 K C 2.280 178.483 176.600 -0.662 0.000 1.049 349 K CA 1.488 57.680 56.287 -0.159 0.000 0.933 349 K CB -0.243 32.448 32.500 0.318 0.000 0.717 349 K HN 0.228 nan 8.250 nan 0.000 0.442 350 S N 1.405 116.483 115.700 -1.037 0.000 2.356 350 S HA -0.087 4.387 4.470 0.007 0.000 0.223 350 S C 1.909 176.135 174.600 -0.623 0.000 1.032 350 S CA 1.115 58.531 58.200 -1.307 0.000 1.005 350 S CB -0.194 62.459 63.200 -0.912 0.000 0.867 350 S HN 0.193 nan 8.310 nan 0.000 0.449 351 L N 0.363 121.293 121.223 -0.489 0.000 2.156 351 L HA -0.017 4.328 4.340 0.007 0.000 0.208 351 L C 2.372 179.052 176.870 -0.317 0.000 1.095 351 L CA 0.756 55.419 54.840 -0.294 0.000 0.770 351 L CB -0.354 41.479 42.059 -0.378 0.000 0.914 351 L HN 0.318 nan 8.230 nan 0.000 0.439 352 M N -1.639 117.483 119.600 -0.797 0.000 2.447 352 M HA 0.066 4.550 4.480 0.007 0.000 0.266 352 M C 1.722 177.475 176.300 -0.912 0.000 1.120 352 M CA 1.478 56.135 55.300 -1.072 0.000 1.166 352 M CB -0.425 30.966 32.600 -2.014 0.000 1.349 352 M HN 0.135 nan 8.290 nan 0.000 0.463 353 F N -1.488 118.275 119.950 -0.311 0.000 2.746 353 F HA 0.346 4.877 4.527 0.007 0.000 0.313 353 F C 2.109 177.838 175.800 -0.118 0.000 1.095 353 F CA -0.070 57.819 58.000 -0.186 0.000 1.224 353 F CB -0.322 38.594 39.000 -0.140 0.000 1.060 353 F HN 0.126 nan 8.300 nan 0.000 0.584 354 G N 0.515 109.233 108.800 -0.137 0.000 2.508 354 G HA2 -0.016 3.949 3.960 0.007 0.000 0.212 354 G HA3 -0.016 3.949 3.960 0.007 0.000 0.212 354 G C 0.166 174.899 174.900 -0.278 0.000 1.206 354 G CA -0.062 44.916 45.100 -0.203 0.000 0.822 354 G HN 0.128 nan 8.290 nan 0.000 0.550 355 F N 2.794 122.655 119.950 -0.148 0.000 2.541 355 F HA 0.400 4.931 4.527 0.007 0.000 0.347 355 F C 0.844 176.551 175.800 -0.156 0.000 1.242 355 F CA -0.186 57.723 58.000 -0.151 0.000 1.123 355 F CB 0.444 39.321 39.000 -0.206 0.000 1.354 355 F HN 0.052 nan 8.300 nan 0.000 0.621 356 T N -1.806 112.747 114.554 -0.001 0.000 2.906 356 T HA 0.261 4.616 4.350 0.007 0.000 0.295 356 T C 0.784 175.415 174.700 -0.114 0.000 1.075 356 T CA -0.856 61.207 62.100 -0.061 0.000 1.005 356 T CB 1.957 70.799 68.868 -0.044 0.000 1.136 356 T HN 0.535 nan 8.240 nan 0.000 0.498 357 E N 0.879 120.976 120.200 -0.171 0.000 2.058 357 E HA -0.171 4.183 4.350 0.007 0.000 0.194 357 E C 1.634 178.068 176.600 -0.277 0.000 0.997 357 E CA 1.915 58.204 56.400 -0.186 0.000 0.801 357 E CB -0.389 29.243 29.700 -0.113 0.000 0.746 357 E HN 0.791 nan 8.360 nan 0.000 0.450 358 T N 1.184 115.487 114.554 -0.419 0.000 2.684 358 T HA -0.137 4.218 4.350 0.007 0.000 0.267 358 T C 1.591 176.193 174.700 -0.162 0.000 1.036 358 T CA 1.388 63.279 62.100 -0.347 0.000 1.148 358 T CB -0.292 68.366 68.868 -0.350 0.000 0.863 358 T HN 0.177 nan 8.240 nan 0.000 0.436 359 N N 0.986 119.619 118.700 -0.112 0.000 2.142 359 N HA 0.071 4.815 4.740 0.007 0.000 0.186 359 N C 1.895 177.401 175.510 -0.006 0.000 1.023 359 N CA 0.832 53.853 53.050 -0.049 0.000 0.852 359 N CB -0.404 38.058 38.487 -0.042 0.000 0.998 359 N HN 0.384 nan 8.380 nan 0.000 0.424 360 I N 0.921 121.483 120.570 -0.013 0.000 2.226 360 I HA -0.216 3.959 4.170 0.007 0.000 0.245 360 I C 2.265 178.430 176.117 0.079 0.000 1.100 360 I CA 0.888 62.215 61.300 0.045 0.000 1.374 360 I CB -0.332 37.629 38.000 -0.065 0.000 1.057 360 I HN 0.055 nan 8.210 nan 0.000 0.413 361 A N 0.328 123.138 122.820 -0.018 0.000 1.883 361 A HA -0.254 4.071 4.320 0.007 0.000 0.217 361 A C 2.337 179.960 177.584 0.067 0.000 1.186 361 A CA 1.741 53.777 52.037 -0.003 0.000 0.624 361 A CB -0.559 18.378 19.000 -0.105 0.000 0.822 361 A HN 0.370 nan 8.150 nan 0.000 0.444 362 E N 0.379 120.600 120.200 0.034 0.000 2.058 362 E HA -0.234 4.120 4.350 0.007 0.000 0.194 362 E C 1.867 178.522 176.600 0.091 0.000 0.997 362 E CA 1.736 58.170 56.400 0.057 0.000 0.801 362 E CB -0.432 29.279 29.700 0.018 0.000 0.746 362 E HN 0.634 nan 8.360 nan 0.000 0.450 363 N N -0.871 117.895 118.700 0.109 0.000 2.188 363 N HA -0.158 4.587 4.740 0.007 0.000 0.184 363 N C 1.262 176.807 175.510 0.058 0.000 1.018 363 N CA 1.019 54.118 53.050 0.082 0.000 0.858 363 N CB -0.201 38.350 38.487 0.107 0.000 0.989 363 N HN 0.116 nan 8.380 nan 0.000 0.426 364 Y N 0.542 120.854 120.300 0.020 0.000 2.490 364 Y HA 0.271 4.826 4.550 0.007 0.000 0.281 364 Y C 0.150 176.092 175.900 0.069 0.000 1.174 364 Y CA 0.086 58.205 58.100 0.032 0.000 1.295 364 Y CB 0.022 38.498 38.460 0.026 0.000 1.062 364 Y HN -0.085 nan 8.280 nan 0.000 0.522 365 K N 0.477 121.006 120.400 0.215 0.000 3.150 365 K HA -0.208 4.116 4.320 0.007 0.000 0.267 365 K C -0.812 176.021 176.600 0.387 0.000 1.028 365 K CA 0.456 56.910 56.287 0.277 0.000 0.753 365 K CB -1.952 30.642 32.500 0.156 0.000 1.288 365 K HN 0.305 nan 8.250 nan 0.000 0.473 366 I N 0.754 121.480 120.570 0.260 0.000 2.404 366 I HA 0.197 4.372 4.170 0.007 0.000 0.293 366 I C 0.375 176.405 176.117 -0.145 0.000 0.992 366 I CA -0.884 60.508 61.300 0.154 0.000 1.149 366 I CB 1.694 39.776 38.000 0.135 0.000 1.315 366 I HN 0.049 nan 8.210 nan 0.000 0.446 367 K N 3.869 124.036 120.400 -0.388 0.000 2.218 367 K HA 0.467 4.791 4.320 0.007 0.000 0.276 367 K C -0.497 175.967 176.600 -0.226 0.000 1.022 367 K CA -0.007 55.883 56.287 -0.663 0.000 0.946 367 K CB 1.302 33.278 32.500 -0.874 0.000 1.000 367 K HN 0.670 nan 8.250 nan 0.000 0.468 368 T N 1.462 115.761 114.554 -0.425 0.000 2.812 368 T HA 0.338 4.692 4.350 0.007 0.000 0.294 368 T C -1.150 172.843 174.700 -1.179 0.000 1.159 368 T CA -0.959 60.672 62.100 -0.781 0.000 1.008 368 T CB 0.765 69.401 68.868 -0.385 0.000 1.289 368 T HN 0.778 nan 8.240 nan 0.000 0.514 369 R N 1.243 120.959 120.500 -1.307 0.000 2.784 369 R HA 0.501 4.845 4.340 0.007 0.000 0.266 369 R C 1.151 177.356 176.300 -0.157 0.000 1.044 369 R CA 0.363 56.029 56.100 -0.724 0.000 1.151 369 R CB 0.058 30.092 30.300 -0.443 0.000 1.037 369 R HN 0.586 nan 8.270 nan 0.000 0.478 370 A N 1.329 124.114 122.820 -0.059 0.000 1.968 370 A HA -0.027 4.297 4.320 0.007 0.000 0.217 370 A C 1.012 178.686 177.584 0.149 0.000 1.169 370 A CA 1.401 53.466 52.037 0.046 0.000 0.638 370 A CB -0.062 18.956 19.000 0.029 0.000 0.812 370 A HN 0.817 nan 8.150 nan 0.000 0.446 371 S N -4.436 111.238 115.700 -0.043 0.000 2.588 371 S HA 0.391 4.865 4.470 0.007 0.000 0.269 371 S C 0.173 174.337 174.600 -0.726 0.000 1.157 371 S CA -0.170 57.904 58.200 -0.210 0.000 0.824 371 S CB 0.228 63.395 63.200 -0.054 0.000 1.126 371 S HN 0.407 nan 8.310 nan 0.000 0.464 372 Y N 2.303 121.976 120.300 -1.044 0.000 2.274 372 Y HA 0.209 4.763 4.550 0.006 0.000 0.290 372 Y C 0.236 175.620 175.900 -0.861 0.000 1.145 372 Y CA 1.536 59.002 58.100 -1.056 0.000 1.203 372 Y CB 0.006 37.913 38.460 -0.922 0.000 0.984 372 Y HN 0.558 nan 8.280 nan 0.000 0.533 373 F N 1.597 121.327 119.950 -0.366 0.000 2.509 373 F HA 0.284 4.817 4.527 0.009 0.000 0.344 373 F C -0.026 175.480 175.800 -0.491 0.000 1.197 373 F CA -0.368 57.380 58.000 -0.420 0.000 1.294 373 F CB -0.049 38.721 39.000 -0.383 0.000 1.643 373 F HN -0.101 nan 8.300 nan 0.000 0.596 374 S N -0.719 114.778 115.700 -0.339 0.000 2.571 374 S HA 0.404 4.878 4.470 0.007 0.000 0.284 374 S C -0.898 173.650 174.600 -0.087 0.000 1.128 374 S CA -1.247 56.786 58.200 -0.278 0.000 0.970 374 S CB 1.575 64.643 63.200 -0.221 0.000 1.039 374 S HN 0.151 nan 8.310 nan 0.000 0.485 375 D N 2.724 123.201 120.400 0.129 0.000 2.515 375 D HA 0.154 4.798 4.640 0.007 0.000 0.232 375 D C 0.453 176.778 176.300 0.042 0.000 1.157 375 D CA 0.803 54.870 54.000 0.111 0.000 0.871 375 D CB 0.556 41.458 40.800 0.170 0.000 1.200 375 D HN 0.746 nan 8.370 nan 0.000 0.466 376 S N 0.776 116.486 115.700 0.017 0.000 2.509 376 S HA 0.687 5.161 4.470 0.007 0.000 0.297 376 S C -0.000 174.620 174.600 0.034 0.000 1.118 376 S CA -0.962 57.242 58.200 0.007 0.000 1.074 376 S CB 1.382 64.563 63.200 -0.032 0.000 1.038 376 S HN 0.338 nan 8.310 nan 0.000 0.498 377 L N 1.069 122.315 121.223 0.038 0.000 2.299 377 L HA 0.623 4.967 4.340 0.007 0.000 0.268 377 L C -2.484 174.401 176.870 0.024 0.000 1.012 377 L CA -3.001 51.859 54.840 0.032 0.000 0.816 377 L CB 1.002 43.074 42.059 0.023 0.000 1.355 377 L HN 0.399 nan 8.230 nan 0.000 0.457 378 P HA 0.136 nan 4.420 nan 0.000 0.271 378 P C -2.484 174.811 177.300 -0.009 0.000 1.216 378 P CA -0.800 62.310 63.100 0.017 0.000 0.771 378 P CB 0.039 31.751 31.700 0.019 0.000 0.864 379 P HA 0.110 nan 4.420 nan 0.000 0.276 379 P C -0.799 176.452 177.300 -0.081 0.000 1.252 379 P CA -0.103 62.977 63.100 -0.033 0.000 0.802 379 P CB 0.790 32.487 31.700 -0.005 0.000 1.035 380 V N -2.568 117.272 119.914 -0.123 0.000 3.126 380 V HA 0.639 4.763 4.120 0.007 0.000 0.314 380 V C -0.396 175.555 176.094 -0.239 0.000 1.138 380 V CA -1.206 60.994 62.300 -0.167 0.000 1.034 380 V CB 1.852 33.517 31.823 -0.264 0.000 1.075 380 V HN 0.528 nan 8.190 nan 0.000 0.442 381 K N 1.999 122.234 120.400 -0.275 0.000 2.265 381 K HA 0.529 4.853 4.320 0.007 0.000 0.267 381 K C -0.923 175.478 176.600 -0.331 0.000 0.994 381 K CA -0.802 55.184 56.287 -0.501 0.000 0.860 381 K CB 1.279 33.454 32.500 -0.542 0.000 1.099 381 K HN 0.690 nan 8.250 nan 0.000 0.448 382 I N 5.212 125.586 120.570 -0.327 0.000 2.471 382 I HA -0.000 4.174 4.170 0.007 0.000 0.286 382 I C 1.344 177.381 176.117 -0.134 0.000 1.079 382 I CA 0.282 61.477 61.300 -0.174 0.000 1.398 382 I CB 1.019 38.987 38.000 -0.053 0.000 1.403 382 I HN 0.798 nan 8.210 nan 0.000 0.530 383 K N 3.832 124.187 120.400 -0.076 0.000 2.009 383 K HA -0.144 4.180 4.320 0.007 0.000 0.210 383 K C 0.605 177.195 176.600 -0.017 0.000 1.049 383 K CA 1.421 57.677 56.287 -0.051 0.000 0.929 383 K CB 0.018 32.496 32.500 -0.037 0.000 0.714 383 K HN 0.492 nan 8.250 nan 0.000 0.440 384 N N -0.265 118.444 118.700 0.014 0.000 2.747 384 N HA 0.098 4.843 4.740 0.007 0.000 0.262 384 N C -0.099 175.428 175.510 0.029 0.000 1.261 384 N CA -0.066 52.997 53.050 0.021 0.000 0.809 384 N CB 0.725 39.232 38.487 0.033 0.000 1.450 384 N HN -0.068 nan 8.380 nan 0.000 0.560 385 L N 2.073 123.279 121.223 -0.027 0.000 2.362 385 L HA 0.047 4.392 4.340 0.007 0.000 0.219 385 L C 1.565 178.459 176.870 0.040 0.000 1.134 385 L CA 0.942 55.724 54.840 -0.098 0.000 0.807 385 L CB 0.026 41.934 42.059 -0.252 0.000 0.927 385 L HN 0.527 nan 8.230 nan 0.000 0.447 386 L N -0.981 120.266 121.223 0.040 0.000 2.599 386 L HA 0.034 4.378 4.340 0.007 0.000 0.230 386 L C 0.419 177.326 176.870 0.062 0.000 1.141 386 L CA -0.024 54.849 54.840 0.056 0.000 0.877 386 L CB -0.274 41.808 42.059 0.037 0.000 1.009 386 L HN 0.110 nan 8.230 nan 0.000 0.447 387 D N 0.378 120.821 120.400 0.073 0.000 2.396 387 D HA 0.032 4.676 4.640 0.007 0.000 0.225 387 D C 0.850 177.201 176.300 0.084 0.000 1.121 387 D CA -0.134 53.908 54.000 0.070 0.000 0.853 387 D CB 0.651 41.493 40.800 0.069 0.000 1.043 387 D HN -0.054 nan 8.370 nan 0.000 0.500 388 N N 2.699 121.436 118.700 0.061 0.000 2.513 388 N HA -0.191 4.554 4.740 0.007 0.000 0.187 388 N C 1.218 176.760 175.510 0.053 0.000 1.056 388 N CA 0.466 53.544 53.050 0.047 0.000 0.907 388 N CB 0.249 38.750 38.487 0.024 0.000 0.954 388 N HN 0.565 nan 8.380 nan 0.000 0.445 389 E N 0.457 120.697 120.200 0.067 0.000 2.285 389 E HA 0.002 4.356 4.350 0.007 0.000 0.194 389 E C 1.398 178.065 176.600 0.112 0.000 0.997 389 E CA 0.731 57.175 56.400 0.073 0.000 0.845 389 E CB 0.118 29.856 29.700 0.064 0.000 0.782 389 E HN 0.169 nan 8.360 nan 0.000 0.491 390 I N -0.960 119.698 120.570 0.146 0.000 3.718 390 I HA 0.154 4.328 4.170 0.007 0.000 0.297 390 I C -0.283 176.007 176.117 0.288 0.000 1.220 390 I CA 0.279 61.725 61.300 0.242 0.000 1.381 390 I CB 0.038 38.191 38.000 0.255 0.000 1.238 390 I HN 0.006 nan 8.210 nan 0.000 0.448 391 Y N 1.687 121.976 120.300 -0.019 0.000 2.401 391 Y HA 0.437 4.991 4.550 0.007 0.000 0.330 391 Y C -0.137 175.697 175.900 -0.109 0.000 1.071 391 Y CA -1.011 56.972 58.100 -0.195 0.000 1.049 391 Y CB 1.400 39.627 38.460 -0.388 0.000 1.239 391 Y HN 0.030 nan 8.280 nan 0.000 0.437 392 T N 2.585 116.846 114.554 -0.488 0.000 2.924 392 T HA 0.453 4.807 4.350 0.007 0.000 0.291 392 T C 0.963 175.405 174.700 -0.429 0.000 1.045 392 T CA -0.755 61.157 62.100 -0.313 0.000 1.015 392 T CB 1.427 70.197 68.868 -0.163 0.000 1.103 392 T HN 0.646 nan 8.240 nan 0.000 0.496 393 I N 0.505 120.954 120.570 -0.202 0.000 2.226 393 I HA -0.139 4.036 4.170 0.007 0.000 0.245 393 I C 2.386 178.434 176.117 -0.115 0.000 1.100 393 I CA 1.443 62.665 61.300 -0.130 0.000 1.374 393 I CB -0.239 37.735 38.000 -0.044 0.000 1.057 393 I HN 0.709 nan 8.210 nan 0.000 0.413 394 E N 0.720 120.856 120.200 -0.107 0.000 2.072 394 E HA -0.154 4.200 4.350 0.007 0.000 0.190 394 E C 1.589 178.140 176.600 -0.080 0.000 0.982 394 E CA 1.132 57.485 56.400 -0.077 0.000 0.803 394 E CB 0.001 29.663 29.700 -0.063 0.000 0.755 394 E HN 0.481 nan 8.360 nan 0.000 0.453 395 E N -0.855 119.274 120.200 -0.118 0.000 2.562 395 E HA 0.266 4.620 4.350 0.007 0.000 0.214 395 E C 0.816 177.338 176.600 -0.130 0.000 0.979 395 E CA 0.121 56.474 56.400 -0.080 0.000 1.002 395 E CB 1.081 30.757 29.700 -0.041 0.000 1.048 395 E HN 0.222 nan 8.360 nan 0.000 0.488 396 G N 1.740 110.298 108.800 -0.402 0.000 2.583 396 G HA2 -0.386 3.578 3.960 0.007 0.000 0.292 396 G HA3 -0.386 3.578 3.960 0.007 0.000 0.292 396 G C 0.510 175.153 174.900 -0.428 0.000 1.203 396 G CA 0.521 45.167 45.100 -0.755 0.000 0.987 396 G HN 0.263 nan 8.290 nan 0.000 0.554 397 F N 1.653 121.698 119.950 0.160 0.000 2.416 397 F HA 0.199 4.730 4.527 0.007 0.000 0.296 397 F C 1.823 177.715 175.800 0.153 0.000 1.099 397 F CA 0.716 58.873 58.000 0.262 0.000 1.427 397 F CB 0.071 39.293 39.000 0.369 0.000 1.079 397 F HN 0.121 nan 8.300 nan 0.000 0.536 398 N N 2.121 120.994 118.700 0.289 0.000 3.178 398 N HA 0.145 4.889 4.740 0.007 0.000 0.300 398 N C -0.451 175.121 175.510 0.103 0.000 1.242 398 N CA 0.267 53.431 53.050 0.189 0.000 1.192 398 N CB -0.304 38.297 38.487 0.189 0.000 1.463 398 N HN 0.219 nan 8.380 nan 0.000 0.539 399 I N 0.908 121.539 120.570 0.101 0.000 2.379 399 I HA -0.052 4.122 4.170 0.007 0.000 0.290 399 I C 1.757 177.900 176.117 0.045 0.000 1.063 399 I CA -0.226 61.107 61.300 0.055 0.000 1.351 399 I CB 0.756 38.792 38.000 0.061 0.000 1.410 399 I HN 0.241 nan 8.210 nan 0.000 0.505 400 S N 3.012 118.726 115.700 0.022 0.000 2.382 400 S HA -0.186 4.289 4.470 0.007 0.000 0.228 400 S C 1.272 175.882 174.600 0.017 0.000 1.027 400 S CA 0.976 59.184 58.200 0.014 0.000 0.991 400 S CB -0.172 63.028 63.200 0.000 0.000 0.823 400 S HN 0.650 nan 8.310 nan 0.000 0.469 401 D N 1.762 122.172 120.400 0.017 0.000 2.351 401 D HA 0.015 4.659 4.640 0.007 0.000 0.216 401 D C 1.204 177.520 176.300 0.027 0.000 0.968 401 D CA 0.868 54.879 54.000 0.018 0.000 0.899 401 D CB -0.057 40.752 40.800 0.015 0.000 0.907 401 D HN 0.599 nan 8.370 nan 0.000 0.514 402 K N 0.162 120.585 120.400 0.037 0.000 2.438 402 K HA 0.029 4.353 4.320 0.007 0.000 0.205 402 K C -0.283 176.344 176.600 0.046 0.000 1.033 402 K CA -0.201 56.114 56.287 0.047 0.000 1.089 402 K CB 1.122 33.663 32.500 0.067 0.000 0.857 402 K HN -0.191 nan 8.250 nan 0.000 0.522 403 D N 1.157 121.578 120.400 0.035 0.000 2.699 403 D HA -0.187 4.457 4.640 0.007 0.000 0.239 403 D C 0.067 176.390 176.300 0.039 0.000 1.136 403 D CA 0.875 54.892 54.000 0.029 0.000 0.668 403 D CB -0.628 40.187 40.800 0.025 0.000 1.060 403 D HN 0.261 nan 8.370 nan 0.000 0.429 404 M N -0.770 118.861 119.600 0.051 0.000 2.502 404 M HA 0.107 4.591 4.480 0.007 0.000 0.351 404 M C 1.485 177.823 176.300 0.063 0.000 1.118 404 M CA -0.384 54.959 55.300 0.072 0.000 0.952 404 M CB 0.764 33.432 32.600 0.113 0.000 1.424 404 M HN 0.045 nan 8.290 nan 0.000 0.529 405 E N 1.585 121.800 120.200 0.025 0.000 2.086 405 E HA 0.020 4.374 4.350 0.007 0.000 0.190 405 E C 0.288 176.841 176.600 -0.078 0.000 0.975 405 E CA 0.734 57.130 56.400 -0.007 0.000 0.813 405 E CB 0.556 30.247 29.700 -0.015 0.000 0.768 405 E HN 0.203 nan 8.360 nan 0.000 0.457 406 K N 1.663 122.025 120.400 -0.064 0.000 2.451 406 K HA -0.032 4.293 4.320 0.007 0.000 0.280 406 K C 0.147 176.676 176.600 -0.118 0.000 1.020 406 K CA 0.288 56.515 56.287 -0.100 0.000 1.008 406 K CB 0.263 32.736 32.500 -0.045 0.000 0.917 406 K HN 0.148 nan 8.250 nan 0.000 0.478 407 E N 1.588 121.651 120.200 -0.229 0.000 2.660 407 E HA -0.274 4.081 4.350 0.007 0.000 0.260 407 E C -0.929 175.673 176.600 0.004 0.000 1.122 407 E CA 0.737 57.042 56.400 -0.158 0.000 0.755 407 E CB -1.903 27.819 29.700 0.036 0.000 1.345 407 E HN 0.691 nan 8.360 nan 0.000 0.421 408 Y N -2.863 117.491 120.300 0.090 0.000 3.491 408 Y HA -0.340 4.215 4.550 0.007 0.000 0.215 408 Y C 1.597 177.592 175.900 0.158 0.000 1.219 408 Y CA 1.050 59.217 58.100 0.112 0.000 1.485 408 Y CB -2.080 36.421 38.460 0.069 0.000 1.450 408 Y HN 0.219 nan 8.280 nan 0.000 0.603 409 R N 0.165 120.777 120.500 0.186 0.000 2.127 409 R HA -0.146 4.199 4.340 0.007 0.000 0.238 409 R C 2.449 178.805 176.300 0.093 0.000 1.134 409 R CA 1.300 57.476 56.100 0.127 0.000 0.975 409 R CB -0.506 29.843 30.300 0.081 0.000 0.865 409 R HN 0.637 nan 8.270 nan 0.000 0.447 410 G N 0.181 109.062 108.800 0.134 0.000 2.470 410 G HA2 -0.244 3.720 3.960 0.007 0.000 0.220 410 G HA3 -0.244 3.720 3.960 0.007 0.000 0.220 410 G C 1.102 175.977 174.900 -0.042 0.000 1.121 410 G CA 0.291 45.490 45.100 0.166 0.000 0.766 410 G HN 0.368 nan 8.290 nan 0.000 0.553 411 Q N -0.366 119.298 119.800 -0.227 0.000 2.282 411 Q HA 0.110 4.454 4.340 0.007 0.000 0.206 411 Q C 0.301 175.727 176.000 -0.958 0.000 0.878 411 Q CA -0.490 54.725 55.803 -0.979 0.000 0.944 411 Q CB 0.393 28.888 28.738 -0.405 0.000 1.100 411 Q HN 0.242 nan 8.270 nan 0.000 0.509 412 N N 1.733 120.148 118.700 -0.475 0.000 2.420 412 N HA 0.005 4.749 4.740 0.007 0.000 0.262 412 N C 0.406 175.739 175.510 -0.295 0.000 1.144 412 N CA 0.332 52.984 53.050 -0.663 0.000 0.952 412 N CB 0.831 39.050 38.487 -0.446 0.000 1.081 412 N HN 0.075 nan 8.380 nan 0.000 0.480 413 K N 2.491 122.710 120.400 -0.301 0.000 2.147 413 K HA -0.116 4.209 4.320 0.007 0.000 0.205 413 K C 1.403 178.086 176.600 0.138 0.000 1.049 413 K CA 1.404 57.703 56.287 0.020 0.000 0.936 413 K CB 0.094 32.515 32.500 -0.131 0.000 0.722 413 K HN 0.589 nan 8.250 nan 0.000 0.446 414 A N 0.575 123.381 122.820 -0.023 0.000 2.072 414 A HA 0.025 4.350 4.320 0.007 0.000 0.216 414 A C 1.880 179.483 177.584 0.032 0.000 1.156 414 A CA 0.778 52.824 52.037 0.015 0.000 0.701 414 A CB -0.127 18.858 19.000 -0.024 0.000 0.816 414 A HN 0.133 nan 8.150 nan 0.000 0.458 415 I N -1.534 119.049 120.570 0.023 0.000 2.947 415 I HA 0.043 4.217 4.170 0.007 0.000 0.263 415 I C 0.834 177.006 176.117 0.091 0.000 1.130 415 I CA 0.333 61.658 61.300 0.043 0.000 1.448 415 I CB 0.083 38.095 38.000 0.019 0.000 1.222 415 I HN 0.145 nan 8.210 nan 0.000 0.453 416 N N 1.664 120.461 118.700 0.160 0.000 3.209 416 N HA 0.092 4.836 4.740 0.007 0.000 0.309 416 N C 0.822 176.480 175.510 0.247 0.000 1.384 416 N CA 0.127 53.310 53.050 0.222 0.000 1.173 416 N CB 0.090 38.755 38.487 0.296 0.000 1.460 416 N HN 0.120 nan 8.380 nan 0.000 0.534 417 K N -0.257 120.195 120.400 0.086 0.000 2.147 417 K HA -0.164 4.160 4.320 0.007 0.000 0.205 417 K C 1.716 178.133 176.600 -0.306 0.000 1.049 417 K CA 0.979 57.139 56.287 -0.211 0.000 0.936 417 K CB 0.157 32.553 32.500 -0.174 0.000 0.722 417 K HN 0.471 nan 8.250 nan 0.000 0.446 418 Q N 0.422 120.162 119.800 -0.100 0.000 2.364 418 Q HA -0.101 4.243 4.340 0.007 0.000 0.209 418 Q C 1.724 177.694 176.000 -0.050 0.000 0.977 418 Q CA 1.603 57.363 55.803 -0.071 0.000 0.885 418 Q CB -0.256 28.485 28.738 0.005 0.000 0.941 418 Q HN 0.279 nan 8.270 nan 0.000 0.464 419 A N 0.229 123.049 122.820 0.001 0.000 2.072 419 A HA 0.162 4.486 4.320 0.007 0.000 0.216 419 A C 0.670 178.206 177.584 -0.081 0.000 1.156 419 A CA 0.642 52.718 52.037 0.066 0.000 0.701 419 A CB -0.140 18.997 19.000 0.227 0.000 0.816 419 A HN 0.568 nan 8.150 nan 0.000 0.458 420 Y N -3.134 116.977 120.300 -0.315 0.000 2.677 420 Y HA 0.814 5.368 4.550 0.007 0.000 0.334 420 Y C -0.835 174.917 175.900 -0.247 0.000 1.154 420 Y CA -1.581 56.285 58.100 -0.390 0.000 1.070 420 Y CB 0.785 38.814 38.460 -0.718 0.000 1.294 420 Y HN 0.006 nan 8.280 nan 0.000 0.475 421 E N 0.680 120.801 120.200 -0.133 0.000 2.317 421 E HA 0.265 4.620 4.350 0.007 0.000 0.270 421 E C -1.264 175.357 176.600 0.034 0.000 0.885 421 E CA -1.187 55.135 56.400 -0.131 0.000 0.760 421 E CB 2.067 31.705 29.700 -0.105 0.000 1.227 421 E HN 0.511 nan 8.360 nan 0.000 0.434 422 E N 1.449 121.663 120.200 0.023 0.000 2.373 422 E HA 0.204 4.558 4.350 0.007 0.000 0.263 422 E C -0.055 176.542 176.600 -0.005 0.000 1.073 422 E CA -0.221 56.205 56.400 0.043 0.000 0.894 422 E CB 0.828 30.553 29.700 0.042 0.000 1.008 422 E HN 0.310 nan 8.360 nan 0.000 0.420 423 I N 1.081 121.632 120.570 -0.032 0.000 2.440 423 I HA 0.018 4.193 4.170 0.007 0.000 0.294 423 I C 0.959 177.082 176.117 0.009 0.000 0.995 423 I CA -0.458 60.803 61.300 -0.065 0.000 1.306 423 I CB 1.163 39.019 38.000 -0.240 0.000 1.407 423 I HN 0.294 nan 8.210 nan 0.000 0.501 424 S N 5.304 121.041 115.700 0.062 0.000 2.509 424 S HA 0.011 4.485 4.470 0.007 0.000 0.287 424 S C 1.306 175.911 174.600 0.008 0.000 1.248 424 S CA -0.276 57.921 58.200 -0.006 0.000 1.089 424 S CB 0.164 63.278 63.200 -0.143 0.000 0.900 424 S HN 0.412 nan 8.310 nan 0.000 0.496 425 K N 4.238 124.637 120.400 -0.002 0.000 2.211 425 K HA -0.117 4.208 4.320 0.007 0.000 0.204 425 K C 1.597 178.208 176.600 0.018 0.000 1.047 425 K CA 1.462 57.767 56.287 0.029 0.000 0.935 425 K CB -0.187 32.323 32.500 0.017 0.000 0.728 425 K HN 0.769 nan 8.250 nan 0.000 0.452 426 E N -0.444 119.707 120.200 -0.082 0.000 2.333 426 E HA -0.144 4.211 4.350 0.007 0.000 0.198 426 E C 0.888 177.503 176.600 0.025 0.000 1.007 426 E CA 0.742 57.090 56.400 -0.085 0.000 0.845 426 E CB -0.115 29.480 29.700 -0.175 0.000 0.766 426 E HN 0.594 nan 8.360 nan 0.000 0.507 427 H N -0.783 118.371 119.070 0.139 0.000 2.549 427 H HA 0.223 4.784 4.556 0.007 0.000 0.279 427 H C -0.016 175.437 175.328 0.208 0.000 1.018 427 H CA -0.579 55.547 56.048 0.132 0.000 1.175 427 H CB 0.472 30.337 29.762 0.171 0.000 1.485 427 H HN -0.059 nan 8.280 nan 0.000 0.543 428 L N 1.180 122.580 121.223 0.295 0.000 2.325 428 L HA 0.676 5.021 4.340 0.007 0.000 0.278 428 L C -0.209 176.770 176.870 0.183 0.000 1.023 428 L CA -0.975 54.027 54.840 0.270 0.000 0.811 428 L CB 1.708 43.892 42.059 0.208 0.000 1.249 428 L HN 0.074 nan 8.230 nan 0.000 0.431 429 A N 3.014 125.960 122.820 0.210 0.000 2.393 429 A HA 0.875 5.199 4.320 0.007 0.000 0.306 429 A C -1.170 176.504 177.584 0.149 0.000 1.050 429 A CA -0.485 51.638 52.037 0.144 0.000 0.724 429 A CB 1.877 20.951 19.000 0.123 0.000 1.248 429 A HN 0.383 nan 8.150 nan 0.000 0.424 430 V N 1.492 121.473 119.914 0.112 0.000 2.888 430 V HA 0.307 4.431 4.120 0.007 0.000 0.309 430 V C -1.121 175.056 176.094 0.138 0.000 1.114 430 V CA -0.678 61.695 62.300 0.122 0.000 0.940 430 V CB 1.803 33.680 31.823 0.090 0.000 1.021 430 V HN 0.868 nan 8.190 nan 0.000 0.426 431 Y N 4.120 124.433 120.300 0.021 0.000 2.496 431 Y HA 0.457 5.012 4.550 0.007 0.000 0.334 431 Y C 0.219 176.116 175.900 -0.005 0.000 1.080 431 Y CA -0.001 58.102 58.100 0.005 0.000 1.355 431 Y CB 0.402 38.868 38.460 0.011 0.000 1.193 431 Y HN 0.595 nan 8.280 nan 0.000 0.523 432 K N 6.459 126.618 120.400 -0.400 0.000 2.318 432 K HA 0.525 4.850 4.320 0.007 0.000 0.249 432 K C -1.440 174.830 176.600 -0.549 0.000 0.942 432 K CA -1.027 55.035 56.287 -0.374 0.000 0.808 432 K CB 1.951 34.333 32.500 -0.198 0.000 1.189 432 K HN 0.445 nan 8.250 nan 0.000 0.428 433 I N 2.512 122.838 120.570 -0.407 0.000 2.330 433 I HA 0.164 4.338 4.170 0.007 0.000 0.289 433 I C -0.147 175.812 176.117 -0.264 0.000 1.001 433 I CA -0.313 60.778 61.300 -0.348 0.000 1.193 433 I CB 1.255 39.088 38.000 -0.278 0.000 1.345 433 I HN 0.640 nan 8.210 nan 0.000 0.461 434 Q N 7.055 126.708 119.800 -0.245 0.000 2.377 434 Q HA 0.386 4.730 4.340 0.007 0.000 0.249 434 Q C -0.851 174.992 176.000 -0.261 0.000 1.005 434 Q CA -0.351 55.311 55.803 -0.236 0.000 0.912 434 Q CB 0.755 29.361 28.738 -0.221 0.000 1.223 434 Q HN 0.532 nan 8.270 nan 0.000 0.459 435 M N 3.937 123.390 119.600 -0.246 0.000 2.151 435 M HA 0.288 4.772 4.480 0.007 0.000 0.349 435 M C -1.000 175.128 176.300 -0.287 0.000 1.284 435 M CA -0.546 54.604 55.300 -0.249 0.000 1.173 435 M CB 0.424 32.929 32.600 -0.158 0.000 1.469 435 M HN 0.542 nan 8.290 nan 0.000 0.439 436 C N 3.198 122.252 119.300 -0.410 0.000 2.341 436 C HA 0.442 4.906 4.460 0.007 0.000 0.338 436 C C 0.725 175.569 174.990 -0.243 0.000 1.257 436 C CA -1.137 57.636 59.018 -0.408 0.000 1.883 436 C CB 0.734 28.042 27.740 -0.720 0.000 2.334 436 C HN 0.752 nan 8.230 nan 0.000 0.524 437 K N 1.285 121.624 120.400 -0.102 0.000 2.126 437 K HA 0.308 4.632 4.320 0.007 0.000 0.257 437 K C 0.395 177.064 176.600 0.114 0.000 1.007 437 K CA 0.049 56.338 56.287 0.003 0.000 0.928 437 K CB 0.637 33.136 32.500 -0.003 0.000 1.013 437 K HN 0.798 nan 8.250 nan 0.000 0.473 438 S N 0.741 116.518 115.700 0.127 0.000 3.530 438 S HA 0.308 4.782 4.470 0.007 0.000 0.279 438 S C -0.041 174.602 174.600 0.072 0.000 1.280 438 S CA -0.735 57.546 58.200 0.135 0.000 0.946 438 S CB -0.541 62.703 63.200 0.073 0.000 1.501 438 S HN 0.292 nan 8.310 nan 0.000 0.498 444 I N 1.376 121.920 120.570 -0.043 0.000 2.752 444 I HA 0.385 4.559 4.170 0.007 0.000 0.287 444 I C 0.152 176.202 176.117 -0.111 0.000 1.188 444 I CA 0.079 61.339 61.300 -0.066 0.000 1.427 444 I CB 0.393 38.361 38.000 -0.054 0.000 1.365 444 I HN 0.450 nan 8.210 nan 0.000 0.585 445 C N 7.171 126.385 119.300 -0.144 0.000 2.707 445 C HA 0.641 5.105 4.460 0.007 0.000 0.313 445 C C -0.245 174.580 174.990 -0.275 0.000 1.209 445 C CA -0.805 58.089 59.018 -0.207 0.000 1.635 445 C CB 1.194 28.810 27.740 -0.206 0.000 2.206 445 C HN 0.578 nan 8.230 nan 0.000 0.485 446 I N 1.790 122.164 120.570 -0.327 0.000 2.498 446 I HA 0.299 4.473 4.170 0.007 0.000 0.290 446 I C -1.034 174.909 176.117 -0.290 0.000 1.032 446 I CA -0.146 60.879 61.300 -0.458 0.000 1.073 446 I CB 1.688 39.322 38.000 -0.609 0.000 1.251 446 I HN 0.560 nan 8.210 nan 0.000 0.426 447 D N 5.563 125.824 120.400 -0.231 0.000 2.210 447 D HA 0.460 5.104 4.640 0.007 0.000 0.249 447 D C -0.642 175.580 176.300 -0.130 0.000 1.078 447 D CA -0.012 53.888 54.000 -0.167 0.000 0.875 447 D CB 2.403 43.132 40.800 -0.118 0.000 1.175 447 D HN 0.038 nan 8.370 nan 0.000 0.440 448 V N 2.661 122.480 119.914 -0.157 0.000 2.524 448 V HA 0.102 4.226 4.120 0.007 0.000 0.297 448 V C -0.480 175.531 176.094 -0.139 0.000 1.035 448 V CA -1.057 61.162 62.300 -0.135 0.000 0.867 448 V CB 2.022 33.679 31.823 -0.277 0.000 1.004 448 V HN 0.362 nan 8.190 nan 0.000 0.426 449 D N 3.055 123.421 120.400 -0.056 0.000 2.493 449 D HA -0.030 4.615 4.640 0.007 0.000 0.240 449 D C 1.233 177.514 176.300 -0.031 0.000 1.142 449 D CA 0.489 54.469 54.000 -0.034 0.000 0.872 449 D CB 0.615 41.430 40.800 0.026 0.000 1.173 449 D HN 0.669 nan 8.370 nan 0.000 0.467 450 N N 2.069 120.755 118.700 -0.023 0.000 2.258 450 N HA -0.231 4.513 4.740 0.007 0.000 0.187 450 N C 0.835 176.406 175.510 0.102 0.000 1.012 450 N CA 1.371 54.452 53.050 0.052 0.000 0.870 450 N CB 0.228 38.873 38.487 0.262 0.000 0.977 450 N HN 0.298 nan 8.380 nan 0.000 0.434 451 E N -0.328 119.931 120.200 0.098 0.000 2.347 451 E HA -0.037 4.317 4.350 0.007 0.000 0.196 451 E C 0.779 177.443 176.600 0.106 0.000 1.008 451 E CA 0.620 57.083 56.400 0.105 0.000 0.852 451 E CB -0.010 29.739 29.700 0.082 0.000 0.783 451 E HN 0.426 nan 8.360 nan 0.000 0.505 452 D N -0.186 120.268 120.400 0.090 0.000 2.349 452 D HA 0.047 4.691 4.640 0.007 0.000 0.215 452 D C 0.496 176.881 176.300 0.143 0.000 1.016 452 D CA 0.147 54.212 54.000 0.107 0.000 0.870 452 D CB 0.374 41.257 40.800 0.139 0.000 0.917 452 D HN 0.180 nan 8.370 nan 0.000 0.524 453 L N 0.087 121.391 121.223 0.135 0.000 2.479 453 L HA 0.209 4.554 4.340 0.007 0.000 0.248 453 L C 0.312 177.278 176.870 0.160 0.000 1.205 453 L CA -0.578 54.395 54.840 0.221 0.000 0.817 453 L CB 0.164 42.320 42.059 0.161 0.000 1.162 453 L HN -0.214 nan 8.230 nan 0.000 0.486 454 F N 0.446 120.575 119.950 0.299 0.000 2.456 454 F HA 0.167 4.704 4.527 0.015 0.000 0.358 454 F C 0.159 176.072 175.800 0.190 0.000 1.095 454 F CA -0.042 58.095 58.000 0.229 0.000 1.216 454 F CB 0.239 39.355 39.000 0.192 0.000 1.125 454 F HN 0.113 nan 8.300 nan 0.000 0.549 455 F N 5.458 125.562 119.950 0.258 0.000 2.404 455 F HA 0.588 5.119 4.527 0.007 0.000 0.358 455 F C -0.593 175.282 175.800 0.124 0.000 1.120 455 F CA -0.690 57.416 58.000 0.177 0.000 1.144 455 F CB 0.199 39.312 39.000 0.189 0.000 1.133 455 F HN 0.249 nan 8.300 nan 0.000 0.495 456 I N 7.010 127.310 120.570 -0.451 0.000 2.493 456 I HA 0.342 4.517 4.170 0.007 0.000 0.279 456 I C -0.107 175.770 176.117 -0.400 0.000 1.045 456 I CA -0.917 60.241 61.300 -0.237 0.000 1.106 456 I CB 1.385 39.309 38.000 -0.126 0.000 1.216 456 I HN 0.744 nan 8.210 nan 0.000 0.459 457 A N 4.999 127.709 122.820 -0.183 0.000 2.540 457 A HA 0.020 4.344 4.320 0.007 0.000 0.239 457 A C 0.172 177.765 177.584 0.015 0.000 1.061 457 A CA 0.231 52.236 52.037 -0.054 0.000 0.758 457 A CB 0.180 19.317 19.000 0.228 0.000 0.991 457 A HN 0.780 nan 8.150 nan 0.000 0.502 458 D N 1.312 121.679 120.400 -0.056 0.000 2.344 458 D HA 0.054 4.698 4.640 0.007 0.000 0.244 458 D C 1.040 177.407 176.300 0.112 0.000 1.134 458 D CA -0.219 53.782 54.000 0.002 0.000 0.930 458 D CB 0.820 41.586 40.800 -0.056 0.000 1.175 458 D HN 0.610 nan 8.370 nan 0.000 0.437 459 K N 1.820 122.329 120.400 0.181 0.000 2.152 459 K HA -0.150 4.174 4.320 0.007 0.000 0.206 459 K C 1.357 178.071 176.600 0.191 0.000 1.048 459 K CA 1.030 57.487 56.287 0.284 0.000 0.933 459 K CB 0.096 32.708 32.500 0.187 0.000 0.721 459 K HN 0.365 nan 8.250 nan 0.000 0.447 460 N N 0.376 119.105 118.700 0.048 0.000 2.519 460 N HA -0.081 4.663 4.740 0.007 0.000 0.186 460 N C 1.181 176.619 175.510 -0.120 0.000 1.062 460 N CA 0.806 53.850 53.050 -0.010 0.000 0.910 460 N CB 0.039 38.514 38.487 -0.021 0.000 0.958 460 N HN 0.136 nan 8.380 nan 0.000 0.445 461 S N 0.049 115.557 115.700 -0.320 0.000 2.453 461 S HA 0.036 4.510 4.470 0.007 0.000 0.231 461 S C 0.320 174.447 174.600 -0.788 0.000 1.005 461 S CA 0.607 58.419 58.200 -0.647 0.000 0.949 461 S CB -0.025 62.573 63.200 -1.003 0.000 0.774 461 S HN 0.195 nan 8.310 nan 0.000 0.510 462 F N 1.128 121.098 119.950 0.034 0.000 2.443 462 F HA 0.494 5.025 4.527 0.007 0.000 0.335 462 F C 0.606 176.419 175.800 0.021 0.000 1.104 462 F CA -1.150 56.869 58.000 0.031 0.000 1.013 462 F CB 0.977 39.995 39.000 0.029 0.000 1.136 462 F HN -0.201 nan 8.300 nan 0.000 0.470 463 S N 0.608 116.413 115.700 0.174 0.000 2.568 463 S HA 0.001 4.475 4.470 0.007 0.000 0.282 463 S C 0.297 174.951 174.600 0.090 0.000 1.338 463 S CA -0.226 58.035 58.200 0.102 0.000 1.045 463 S CB 0.412 63.661 63.200 0.082 0.000 0.873 463 S HN 0.742 nan 8.310 nan 0.000 0.516 464 D N 1.501 121.934 120.400 0.055 0.000 2.501 464 D HA 0.239 4.884 4.640 0.007 0.000 0.226 464 D C 0.430 176.738 176.300 0.013 0.000 1.198 464 D CA -0.185 53.835 54.000 0.033 0.000 0.830 464 D CB 0.075 40.895 40.800 0.032 0.000 1.014 464 D HN 0.505 nan 8.370 nan 0.000 0.496 465 D N -0.010 120.399 120.400 0.014 0.000 2.265 465 D HA -0.116 4.528 4.640 0.007 0.000 0.208 465 D C 1.954 178.243 176.300 -0.018 0.000 0.977 465 D CA 0.540 54.541 54.000 0.002 0.000 0.871 465 D CB 0.104 40.908 40.800 0.006 0.000 0.925 465 D HN 0.376 nan 8.370 nan 0.000 0.485 466 L N 0.628 121.830 121.223 -0.034 0.000 2.353 466 L HA -0.115 4.229 4.340 0.007 0.000 0.220 466 L C 2.073 178.903 176.870 -0.066 0.000 1.133 466 L CA 0.908 55.705 54.840 -0.072 0.000 0.798 466 L CB -0.269 41.725 42.059 -0.108 0.000 0.922 466 L HN 0.065 nan 8.230 nan 0.000 0.445 467 S N -1.889 113.791 115.700 -0.034 0.000 2.558 467 S HA 0.046 4.521 4.470 0.007 0.000 0.217 467 S C 0.771 175.376 174.600 0.007 0.000 0.975 467 S CA -0.241 57.949 58.200 -0.016 0.000 0.912 467 S CB -0.061 63.135 63.200 -0.007 0.000 0.776 467 S HN 0.246 nan 8.310 nan 0.000 0.526 468 K N 2.112 122.515 120.400 0.005 0.000 2.118 468 K HA 0.309 4.633 4.320 0.007 0.000 0.264 468 K C -0.301 176.319 176.600 0.033 0.000 1.000 468 K CA -0.674 55.622 56.287 0.015 0.000 0.929 468 K CB 0.354 32.855 32.500 0.003 0.000 1.021 468 K HN 0.214 nan 8.250 nan 0.000 0.463 469 N N 2.201 120.925 118.700 0.040 0.000 2.444 469 N HA 0.058 4.802 4.740 0.007 0.000 0.255 469 N C -0.438 175.068 175.510 -0.007 0.000 1.255 469 N CA 0.272 53.358 53.050 0.060 0.000 0.933 469 N CB 0.726 39.246 38.487 0.055 0.000 1.143 469 N HN 0.428 nan 8.380 nan 0.000 0.453 470 E N 1.202 121.367 120.200 -0.059 0.000 2.246 470 E HA 0.241 4.595 4.350 0.007 0.000 0.266 470 E C -0.550 175.895 176.600 -0.258 0.000 0.880 470 E CA -0.514 55.743 56.400 -0.238 0.000 0.762 470 E CB 2.193 31.582 29.700 -0.517 0.000 1.180 470 E HN 0.246 nan 8.360 nan 0.000 0.416 471 R N 2.750 123.145 120.500 -0.176 0.000 2.234 471 R HA 0.336 4.680 4.340 0.007 0.000 0.324 471 R C 0.030 176.235 176.300 -0.158 0.000 1.054 471 R CA -0.497 55.527 56.100 -0.126 0.000 0.912 471 R CB 0.649 30.908 30.300 -0.068 0.000 1.030 471 R HN 0.322 nan 8.270 nan 0.000 0.455 472 I N 3.200 123.684 120.570 -0.143 0.000 2.353 472 I HA 0.304 4.478 4.170 0.007 0.000 0.293 472 I C 0.386 176.505 176.117 0.002 0.000 0.992 472 I CA -0.172 61.063 61.300 -0.109 0.000 1.268 472 I CB 1.306 39.247 38.000 -0.098 0.000 1.387 472 I HN 0.599 nan 8.210 nan 0.000 0.478 473 E N 3.383 123.607 120.200 0.039 0.000 2.446 473 E HA 0.217 4.571 4.350 0.007 0.000 0.276 473 E C -0.129 176.539 176.600 0.113 0.000 0.969 473 E CA -0.605 55.906 56.400 0.184 0.000 0.800 473 E CB 1.760 31.546 29.700 0.143 0.000 1.341 473 E HN 0.547 nan 8.360 nan 0.000 0.460 474 Y N 0.122 120.464 120.300 0.070 0.000 2.465 474 Y HA -0.122 4.433 4.550 0.007 0.000 0.289 474 Y C 1.089 176.974 175.900 -0.025 0.000 1.150 474 Y CA 1.452 59.519 58.100 -0.055 0.000 1.293 474 Y CB -0.445 37.857 38.460 -0.262 0.000 0.977 474 Y HN 0.376 nan 8.280 nan 0.000 0.556 475 N N 0.219 118.466 118.700 -0.755 0.000 2.143 475 N HA -0.072 4.673 4.740 0.007 0.000 0.190 475 N C -0.001 175.364 175.510 -0.241 0.000 1.058 475 N CA 0.965 53.657 53.050 -0.598 0.000 0.860 475 N CB -0.409 37.750 38.487 -0.546 0.000 1.044 475 N HN 0.079 nan 8.380 nan 0.000 0.445 476 T N 2.325 116.776 114.554 -0.171 0.000 2.259 476 T HA -0.184 4.170 4.350 0.007 0.000 0.176 476 T C -0.164 174.500 174.700 -0.061 0.000 1.032 476 T CA 0.865 62.906 62.100 -0.100 0.000 1.254 476 T CB -0.434 68.382 68.868 -0.087 0.000 0.967 476 T HN 0.323 nan 8.240 nan 0.000 0.419 477 Q N 1.298 121.073 119.800 -0.041 0.000 2.496 477 Q HA 0.694 5.038 4.340 0.007 0.000 0.286 477 Q C -0.141 175.873 176.000 0.023 0.000 1.103 477 Q CA -1.264 54.539 55.803 0.000 0.000 0.813 477 Q CB 1.476 30.216 28.738 0.004 0.000 1.444 477 Q HN 0.593 nan 8.270 nan 0.000 0.443 478 S N 1.149 116.897 115.700 0.081 0.000 2.579 478 S HA 0.250 4.724 4.470 0.007 0.000 0.275 478 S C -0.344 174.318 174.600 0.103 0.000 1.345 478 S CA -0.478 57.808 58.200 0.144 0.000 1.031 478 S CB 0.119 63.524 63.200 0.341 0.000 0.892 478 S HN 0.621 nan 8.310 nan 0.000 0.529 479 N N 1.900 120.587 118.700 -0.021 0.000 2.540 479 N HA 0.361 5.105 4.740 0.007 0.000 0.275 479 N C -1.981 173.381 175.510 -0.246 0.000 1.053 479 N CA -0.201 52.797 53.050 -0.087 0.000 0.876 479 N CB 1.212 39.623 38.487 -0.126 0.000 1.284 479 N HN 0.657 nan 8.380 nan 0.000 0.518 480 Y N 0.949 121.213 120.300 -0.060 0.000 2.442 480 Y HA 0.540 5.094 4.550 0.007 0.000 0.344 480 Y C 0.062 175.901 175.900 -0.101 0.000 0.976 480 Y CA -0.726 57.344 58.100 -0.050 0.000 1.040 480 Y CB 2.163 40.606 38.460 -0.027 0.000 1.228 480 Y HN 0.278 nan 8.280 nan 0.000 0.451 481 I N 2.763 123.362 120.570 0.048 0.000 2.420 481 I HA 0.235 4.409 4.170 0.007 0.000 0.282 481 I C -0.532 175.561 176.117 -0.039 0.000 1.019 481 I CA -0.845 60.443 61.300 -0.021 0.000 1.130 481 I CB 1.479 39.465 38.000 -0.023 0.000 1.262 481 I HN 0.513 nan 8.210 nan 0.000 0.454 482 E N 5.484 125.647 120.200 -0.063 0.000 2.220 482 E HA 0.073 4.427 4.350 0.007 0.000 0.272 482 E C 0.066 176.392 176.600 -0.457 0.000 1.099 482 E CA 0.027 56.331 56.400 -0.160 0.000 0.907 482 E CB 0.316 29.959 29.700 -0.095 0.000 1.022 482 E HN 0.300 nan 8.360 nan 0.000 0.428 483 N N 4.095 122.406 118.700 -0.648 0.000 2.926 483 N HA 0.062 4.807 4.740 0.007 0.000 0.284 483 N C -1.118 173.898 175.510 -0.824 0.000 1.303 483 N CA 0.236 52.467 53.050 -1.365 0.000 1.062 483 N CB -0.169 37.909 38.487 -0.682 0.000 1.389 483 N HN 0.454 nan 8.380 nan 0.000 0.538 484 D N -0.744 119.365 120.400 -0.486 0.000 2.602 484 D HA 0.536 5.180 4.640 0.007 0.000 0.236 484 D C -1.771 174.614 176.300 0.142 0.000 1.209 484 D CA -0.634 53.305 54.000 -0.101 0.000 0.831 484 D CB 1.285 42.022 40.800 -0.104 0.000 1.478 484 D HN -0.086 nan 8.370 nan 0.000 0.438 485 F N 1.977 121.916 119.950 -0.019 0.000 2.651 485 F HA 0.382 4.913 4.527 0.007 0.000 0.329 485 F C -2.399 173.367 175.800 -0.057 0.000 1.186 485 F CA -1.590 56.400 58.000 -0.017 0.000 1.046 485 F CB 1.952 40.953 39.000 0.001 0.000 1.296 485 F HN 0.058 nan 8.300 nan 0.000 0.497 486 P HA 0.029 nan 4.420 nan 0.000 0.259 486 P C 0.935 178.076 177.300 -0.265 0.000 1.211 486 P CA 0.258 63.148 63.100 -0.350 0.000 0.810 486 P CB 0.807 32.275 31.700 -0.386 0.000 0.815 487 I N 4.535 125.049 120.570 -0.095 0.000 2.335 487 I HA -0.283 3.891 4.170 0.007 0.000 0.251 487 I C 1.648 177.725 176.117 -0.066 0.000 1.129 487 I CA 1.628 62.902 61.300 -0.045 0.000 1.402 487 I CB -0.548 37.428 38.000 -0.041 0.000 1.069 487 I HN 0.193 nan 8.210 nan 0.000 0.424 488 N N 0.523 119.171 118.700 -0.087 0.000 2.166 488 N HA -0.228 4.516 4.740 0.007 0.000 0.186 488 N C 1.727 177.191 175.510 -0.077 0.000 1.019 488 N CA 1.583 54.589 53.050 -0.074 0.000 0.856 488 N CB -0.272 38.170 38.487 -0.074 0.000 0.993 488 N HN 0.651 nan 8.380 nan 0.000 0.426 489 E N 0.319 120.445 120.200 -0.124 0.000 2.152 489 E HA -0.140 4.214 4.350 0.007 0.000 0.192 489 E C 1.838 178.420 176.600 -0.029 0.000 0.983 489 E CA 0.643 56.978 56.400 -0.109 0.000 0.818 489 E CB -0.314 29.262 29.700 -0.206 0.000 0.758 489 E HN 0.219 nan 8.360 nan 0.000 0.467 490 L N 1.321 122.554 121.223 0.018 0.000 2.046 490 L HA -0.061 4.283 4.340 0.007 0.000 0.208 490 L C 2.194 179.078 176.870 0.024 0.000 1.077 490 L CA 1.604 56.516 54.840 0.119 0.000 0.747 490 L CB -0.231 41.900 42.059 0.120 0.000 0.896 490 L HN 0.240 nan 8.230 nan 0.000 0.432 491 I N -1.174 119.391 120.570 -0.009 0.000 2.546 491 I HA -0.236 3.938 4.170 0.007 0.000 0.255 491 I C 1.826 177.945 176.117 0.004 0.000 1.163 491 I CA 0.948 62.245 61.300 -0.004 0.000 1.457 491 I CB -0.117 37.871 38.000 -0.020 0.000 1.092 491 I HN 0.254 nan 8.210 nan 0.000 0.434 492 L N -0.505 120.717 121.223 -0.002 0.000 2.616 492 L HA 0.125 4.469 4.340 0.007 0.000 0.229 492 L C 0.319 177.196 176.870 0.013 0.000 1.110 492 L CA -0.177 54.663 54.840 -0.001 0.000 0.884 492 L CB -0.169 41.881 42.059 -0.015 0.000 1.115 492 L HN 0.060 nan 8.230 nan 0.000 0.481 493 D N 0.244 120.661 120.400 0.028 0.000 2.502 493 D HA -0.074 4.571 4.640 0.007 0.000 0.249 493 D C 1.229 177.554 176.300 0.042 0.000 1.188 493 D CA 0.462 54.490 54.000 0.046 0.000 0.890 493 D CB 1.052 41.900 40.800 0.080 0.000 1.140 493 D HN -0.042 nan 8.370 nan 0.000 0.505 494 T N 2.482 117.058 114.554 0.036 0.000 2.942 494 T HA -0.081 4.273 4.350 0.007 0.000 0.265 494 T C 0.798 175.521 174.700 0.038 0.000 1.062 494 T CA 0.681 62.800 62.100 0.032 0.000 1.139 494 T CB 0.108 68.992 68.868 0.026 0.000 0.883 494 T HN 0.443 nan 8.240 nan 0.000 0.468 495 D N 0.439 120.867 120.400 0.047 0.000 2.388 495 D HA 0.193 4.838 4.640 0.007 0.000 0.221 495 D C 1.516 177.850 176.300 0.056 0.000 1.133 495 D CA -0.093 53.937 54.000 0.050 0.000 0.831 495 D CB 0.467 41.301 40.800 0.056 0.000 0.962 495 D HN 0.206 nan 8.370 nan 0.000 0.502 496 L N 0.560 121.819 121.223 0.060 0.000 2.005 496 L HA -0.027 4.317 4.340 0.007 0.000 0.207 496 L C 0.558 177.462 176.870 0.055 0.000 1.072 496 L CA 1.374 56.252 54.840 0.063 0.000 0.744 496 L CB 0.039 42.145 42.059 0.078 0.000 0.895 496 L HN -0.150 nan 8.230 nan 0.000 0.433 497 I N 0.470 121.070 120.570 0.051 0.000 2.441 497 I HA 0.079 4.254 4.170 0.007 0.000 0.287 497 I C 0.700 176.832 176.117 0.026 0.000 1.049 497 I CA 0.163 61.486 61.300 0.040 0.000 1.381 497 I CB 0.409 38.431 38.000 0.036 0.000 1.409 497 I HN 0.134 nan 8.210 nan 0.000 0.523 498 S N 5.888 121.597 115.700 0.015 0.000 2.549 498 S HA 0.129 4.603 4.470 0.007 0.000 0.283 498 S C 0.859 175.453 174.600 -0.010 0.000 1.320 498 S CA -0.328 57.871 58.200 -0.001 0.000 1.058 498 S CB 0.235 63.420 63.200 -0.025 0.000 0.882 498 S HN 0.710 nan 8.310 nan 0.000 0.498 499 K N 3.867 124.261 120.400 -0.009 0.000 2.478 499 K HA 0.300 4.624 4.320 0.007 0.000 0.205 499 K C -0.355 176.230 176.600 -0.025 0.000 1.033 499 K CA -0.538 55.741 56.287 -0.012 0.000 1.091 499 K CB 0.137 32.637 32.500 -0.000 0.000 0.844 499 K HN 0.368 nan 8.250 nan 0.000 0.507 500 I N 2.715 123.261 120.570 -0.040 0.000 2.365 500 I HA 0.127 4.301 4.170 0.007 0.000 0.291 500 I C 0.606 176.665 176.117 -0.096 0.000 1.004 500 I CA -0.781 60.481 61.300 -0.063 0.000 1.311 500 I CB 1.036 38.992 38.000 -0.074 0.000 1.401 500 I HN 0.323 nan 8.210 nan 0.000 0.491 501 E N 4.383 124.523 120.200 -0.100 0.000 2.608 501 E HA -0.088 4.266 4.350 0.007 0.000 0.259 501 E C -0.877 175.614 176.600 -0.180 0.000 0.951 501 E CA -0.312 56.018 56.400 -0.118 0.000 0.945 501 E CB 0.601 30.237 29.700 -0.106 0.000 0.916 501 E HN 0.327 nan 8.360 nan 0.000 0.477 502 L N 7.634 128.762 121.223 -0.158 0.000 2.281 502 L HA 0.336 4.680 4.340 0.007 0.000 0.285 502 L C -2.275 174.470 176.870 -0.207 0.000 1.074 502 L CA -1.599 53.124 54.840 -0.195 0.000 0.817 502 L CB 0.765 42.749 42.059 -0.125 0.000 1.168 502 L HN 0.481 nan 8.230 nan 0.000 0.434 503 P HA 0.185 nan 4.420 nan 0.000 0.270 503 P C -0.990 176.271 177.300 -0.064 0.000 1.223 503 P CA -0.374 62.559 63.100 -0.279 0.000 0.785 503 P CB 0.399 31.719 31.700 -0.634 0.000 0.923 504 S N -0.062 115.658 115.700 0.033 0.000 2.562 504 S HA 0.023 4.497 4.470 0.007 0.000 0.281 504 S C 1.032 175.775 174.600 0.238 0.000 1.333 504 S CA -0.201 58.061 58.200 0.104 0.000 1.052 504 S CB 0.366 63.623 63.200 0.094 0.000 0.884 504 S HN 0.609 nan 8.310 nan 0.000 0.506 505 E N 1.736 122.067 120.200 0.220 0.000 2.358 505 E HA -0.040 4.315 4.350 0.007 0.000 0.195 505 E C -0.093 176.589 176.600 0.136 0.000 1.010 505 E CA -0.003 56.580 56.400 0.305 0.000 0.856 505 E CB -0.176 29.671 29.700 0.245 0.000 0.795 505 E HN 0.535 nan 8.360 nan 0.000 0.504 506 N N 1.457 120.204 118.700 0.079 0.000 2.497 506 N HA 0.103 4.847 4.740 0.007 0.000 0.271 506 N C -0.491 174.954 175.510 -0.107 0.000 1.142 506 N CA 0.483 53.511 53.050 -0.035 0.000 0.965 506 N CB 1.690 40.179 38.487 0.002 0.000 1.077 506 N HN 0.142 nan 8.380 nan 0.000 0.462 507 T N 0.042 114.438 114.554 -0.263 0.000 2.645 507 T HA 0.185 4.540 4.350 0.007 0.000 0.300 507 T C -1.224 173.346 174.700 -0.216 0.000 1.210 507 T CA -0.625 61.299 62.100 -0.293 0.000 1.034 507 T CB 0.778 69.192 68.868 -0.757 0.000 1.537 507 T HN 0.210 nan 8.240 nan 0.000 0.492 508 E N 1.630 121.727 120.200 -0.171 0.000 2.390 508 E HA 0.336 4.690 4.350 0.007 0.000 0.261 508 E C -0.009 176.501 176.600 -0.149 0.000 1.076 508 E CA 0.036 56.363 56.400 -0.122 0.000 0.905 508 E CB 0.843 30.494 29.700 -0.082 0.000 0.984 508 E HN 0.575 nan 8.360 nan 0.000 0.427 509 S N 1.270 116.906 115.700 -0.106 0.000 2.560 509 S HA 0.016 4.490 4.470 0.007 0.000 0.284 509 S C 0.291 174.803 174.600 -0.146 0.000 1.327 509 S CA -0.468 57.673 58.200 -0.099 0.000 1.055 509 S CB 0.252 63.430 63.200 -0.037 0.000 0.868 509 S HN 0.318 nan 8.310 nan 0.000 0.506 510 L N 3.565 124.666 121.223 -0.203 0.000 2.380 510 L HA 0.322 4.666 4.340 0.007 0.000 0.273 510 L C 1.265 177.821 176.870 -0.524 0.000 1.138 510 L CA 0.763 55.388 54.840 -0.359 0.000 0.832 510 L CB 0.781 42.581 42.059 -0.432 0.000 1.124 510 L HN 0.871 nan 8.230 nan 0.000 0.454 511 T N -1.236 113.028 114.554 -0.484 0.000 2.958 511 T HA 0.191 4.545 4.350 0.007 0.000 0.256 511 T C 0.270 174.713 174.700 -0.427 0.000 0.983 511 T CA 0.010 61.883 62.100 -0.378 0.000 0.924 511 T CB -0.141 68.658 68.868 -0.115 0.000 1.136 511 T HN 0.522 nan 8.240 nan 0.000 0.506 512 D N 0.947 121.078 120.400 -0.449 0.000 2.467 512 D HA 0.306 4.950 4.640 0.007 0.000 0.220 512 D C -0.493 175.617 176.300 -0.316 0.000 1.103 512 D CA -1.332 52.520 54.000 -0.248 0.000 0.886 512 D CB -0.061 40.653 40.800 -0.142 0.000 1.025 512 D HN 0.256 nan 8.370 nan 0.000 0.514 513 F N 1.560 121.499 119.950 -0.019 0.000 2.731 513 F HA 0.140 4.671 4.527 0.007 0.000 0.304 513 F C 1.197 176.989 175.800 -0.013 0.000 1.133 513 F CA -0.609 57.379 58.000 -0.019 0.000 1.380 513 F CB -0.623 38.366 39.000 -0.019 0.000 1.079 513 F HN 0.205 nan 8.300 nan 0.000 0.550 514 N N 1.594 120.351 118.700 0.096 0.000 2.411 514 N HA 0.195 4.939 4.740 0.007 0.000 0.261 514 N C -0.766 174.770 175.510 0.042 0.000 1.248 514 N CA 0.403 53.485 53.050 0.054 0.000 0.885 514 N CB 0.628 39.122 38.487 0.013 0.000 1.062 514 N HN 0.053 nan 8.380 nan 0.000 0.471 515 V N 2.743 122.682 119.914 0.042 0.000 3.177 515 V HA 0.264 4.388 4.120 0.007 0.000 0.287 515 V C -1.843 174.245 176.094 -0.009 0.000 1.465 515 V CA -0.976 61.352 62.300 0.047 0.000 1.020 515 V CB 2.183 34.097 31.823 0.152 0.000 1.152 515 V HN 0.663 nan 8.190 nan 0.000 0.448 516 D N 3.475 123.843 120.400 -0.053 0.000 2.274 516 D HA 0.475 5.119 4.640 0.007 0.000 0.239 516 D C -0.479 175.655 176.300 -0.277 0.000 1.104 516 D CA 0.105 54.023 54.000 -0.138 0.000 0.840 516 D CB 1.972 42.678 40.800 -0.157 0.000 1.100 516 D HN 0.361 nan 8.370 nan 0.000 0.477 517 V N 4.606 124.301 119.914 -0.364 0.000 2.347 517 V HA 0.250 4.375 4.120 0.007 0.000 0.280 517 V C -1.903 173.884 176.094 -0.511 0.000 1.021 517 V CA -1.523 60.378 62.300 -0.664 0.000 0.847 517 V CB 1.203 32.738 31.823 -0.480 0.000 0.990 517 V HN 0.365 nan 8.190 nan 0.000 0.444 518 P HA 0.183 nan 4.420 nan 0.000 0.268 518 P C -0.849 176.030 177.300 -0.701 0.000 1.208 518 P CA -0.005 62.748 63.100 -0.577 0.000 0.777 518 P CB 0.532 31.864 31.700 -0.614 0.000 0.875 519 V N 3.217 122.734 119.914 -0.661 0.000 2.487 519 V HA 0.359 4.483 4.120 0.007 0.000 0.298 519 V C -0.694 175.086 176.094 -0.522 0.000 1.028 519 V CA -0.500 61.501 62.300 -0.498 0.000 0.860 519 V CB 0.783 32.462 31.823 -0.239 0.000 0.991 519 V HN 0.419 nan 8.190 nan 0.000 0.427 520 Y N 2.611 122.806 120.300 -0.175 0.000 2.528 520 Y HA 0.776 5.330 4.550 0.007 0.000 0.335 520 Y C 0.368 176.372 175.900 0.173 0.000 1.093 520 Y CA -0.870 57.203 58.100 -0.044 0.000 1.134 520 Y CB 1.880 40.174 38.460 -0.277 0.000 1.253 520 Y HN 0.754 nan 8.280 nan 0.000 0.478 521 E N 0.084 120.551 120.200 0.446 0.000 2.363 521 E HA 0.408 4.762 4.350 0.007 0.000 0.281 521 E C -1.852 174.724 176.600 -0.040 0.000 0.953 521 E CA -1.302 55.227 56.400 0.216 0.000 0.778 521 E CB 1.661 31.413 29.700 0.087 0.000 1.220 521 E HN 0.466 nan 8.360 nan 0.000 0.431 522 K N 1.372 121.534 120.400 -0.397 0.000 2.230 522 K HA 0.110 4.435 4.320 0.007 0.000 0.253 522 K C -0.028 176.442 176.600 -0.217 0.000 1.008 522 K CA -0.070 55.893 56.287 -0.539 0.000 0.910 522 K CB 0.595 32.744 32.500 -0.585 0.000 0.994 522 K HN 0.634 nan 8.250 nan 0.000 0.495 523 Q N -0.048 119.650 119.800 -0.171 0.000 2.451 523 Q HA 0.457 4.801 4.340 0.007 0.000 0.281 523 Q C -2.880 173.090 176.000 -0.049 0.000 1.099 523 Q CA -2.583 53.168 55.803 -0.086 0.000 0.806 523 Q CB 1.466 30.156 28.738 -0.080 0.000 1.419 523 Q HN 0.151 nan 8.270 nan 0.000 0.427 524 P HA -0.082 nan 4.420 nan 0.000 0.261 524 P C -0.295 177.088 177.300 0.137 0.000 1.173 524 P CA 0.680 63.807 63.100 0.044 0.000 0.760 524 P CB 0.552 32.286 31.700 0.057 0.000 0.783 525 A N 4.210 127.089 122.820 0.098 0.000 2.208 525 A HA 0.096 4.421 4.320 0.007 0.000 0.209 525 A C 0.770 178.405 177.584 0.084 0.000 1.161 525 A CA 0.840 52.972 52.037 0.159 0.000 0.782 525 A CB -0.480 18.556 19.000 0.060 0.000 0.816 525 A HN 0.520 nan 8.150 nan 0.000 0.477 526 I N -0.328 120.253 120.570 0.017 0.000 2.499 526 I HA 0.270 4.444 4.170 0.007 0.000 0.288 526 I C -0.503 175.560 176.117 -0.090 0.000 1.048 526 I CA -0.541 60.691 61.300 -0.113 0.000 1.062 526 I CB 2.195 40.139 38.000 -0.094 0.000 1.238 526 I HN 0.002 nan 8.210 nan 0.000 0.426 527 K N 6.936 127.218 120.400 -0.198 0.000 2.394 527 K HA 0.393 4.717 4.320 0.007 0.000 0.260 527 K C -0.848 175.670 176.600 -0.136 0.000 0.967 527 K CA -0.705 55.523 56.287 -0.098 0.000 0.855 527 K CB 1.532 34.005 32.500 -0.044 0.000 1.101 527 K HN 0.505 nan 8.250 nan 0.000 0.433 528 K N 6.239 126.578 120.400 -0.102 0.000 2.234 528 K HA 0.312 4.636 4.320 0.007 0.000 0.282 528 K C -0.278 176.236 176.600 -0.143 0.000 1.039 528 K CA -0.568 55.620 56.287 -0.166 0.000 0.928 528 K CB 0.539 32.941 32.500 -0.164 0.000 1.039 528 K HN 0.659 nan 8.250 nan 0.000 0.470 529 I N -0.189 120.237 120.570 -0.239 0.000 3.042 529 I HA 0.559 4.734 4.170 0.007 0.000 0.310 529 I C -1.346 174.558 176.117 -0.355 0.000 1.117 529 I CA -1.211 60.007 61.300 -0.136 0.000 1.003 529 I CB 1.612 39.579 38.000 -0.055 0.000 1.228 529 I HN 0.351 nan 8.210 nan 0.000 0.443 530 F N 1.157 121.049 119.950 -0.097 0.000 2.467 530 F HA 0.747 5.277 4.527 0.005 0.000 0.336 530 F C 0.275 175.969 175.800 -0.177 0.000 1.123 530 F CA -0.473 57.458 58.000 -0.116 0.000 0.964 530 F CB 2.126 41.080 39.000 -0.076 0.000 1.136 530 F HN 0.629 nan 8.300 nan 0.000 0.447 531 T N 1.694 116.190 114.554 -0.097 0.000 3.047 531 T HA 0.234 4.588 4.350 0.007 0.000 0.340 531 T C -0.797 173.827 174.700 -0.127 0.000 1.421 531 T CA -0.645 61.326 62.100 -0.216 0.000 1.090 531 T CB 1.174 69.631 68.868 -0.686 0.000 1.292 531 T HN 0.597 nan 8.240 nan 0.000 0.480 532 D N 1.922 122.287 120.400 -0.059 0.000 2.395 532 D HA 0.130 4.774 4.640 0.007 0.000 0.213 532 D C 0.209 176.532 176.300 0.038 0.000 1.110 532 D CA -0.109 53.895 54.000 0.006 0.000 0.835 532 D CB 0.670 41.491 40.800 0.034 0.000 0.965 532 D HN 0.536 nan 8.370 nan 0.000 0.505 533 E N 1.367 121.568 120.200 0.002 0.000 2.413 533 E HA 0.075 4.429 4.350 0.007 0.000 0.263 533 E C 0.162 176.864 176.600 0.169 0.000 1.015 533 E CA 0.402 56.863 56.400 0.103 0.000 0.916 533 E CB 0.704 30.511 29.700 0.178 0.000 0.947 533 E HN -0.008 nan 8.360 nan 0.000 0.440 534 N N 2.069 120.883 118.700 0.190 0.000 2.851 534 N HA 0.098 4.842 4.740 0.007 0.000 0.248 534 N C -0.202 175.398 175.510 0.150 0.000 1.221 534 N CA -0.040 53.154 53.050 0.241 0.000 0.847 534 N CB 1.357 39.993 38.487 0.249 0.000 1.150 534 N HN 0.336 nan 8.380 nan 0.000 0.507 535 T N -0.198 114.477 114.554 0.200 0.000 2.850 535 T HA 0.371 4.725 4.350 0.007 0.000 0.269 535 T C 1.759 176.450 174.700 -0.015 0.000 1.075 535 T CA -0.599 61.518 62.100 0.027 0.000 0.987 535 T CB 0.568 69.483 68.868 0.078 0.000 1.889 535 T HN 0.275 nan 8.240 nan 0.000 0.584 536 I N -0.073 120.364 120.570 -0.222 0.000 2.145 536 I HA -0.202 3.972 4.170 0.007 0.000 0.244 536 I C 1.864 177.911 176.117 -0.116 0.000 1.075 536 I CA 2.012 63.152 61.300 -0.266 0.000 1.332 536 I CB -0.218 37.514 38.000 -0.448 0.000 1.033 536 I HN 0.673 nan 8.210 nan 0.000 0.410 537 F N 0.461 120.557 119.950 0.243 0.000 2.134 537 F HA -0.243 4.292 4.527 0.013 0.000 0.299 537 F C 2.605 178.577 175.800 0.287 0.000 1.097 537 F CA 1.006 59.149 58.000 0.238 0.000 1.264 537 F CB -0.777 38.354 39.000 0.219 0.000 1.001 537 F HN 0.087 nan 8.300 nan 0.000 0.479 538 Q N -0.569 119.523 119.800 0.487 0.000 2.079 538 Q HA -0.148 4.196 4.340 0.007 0.000 0.200 538 Q C 1.986 178.335 176.000 0.582 0.000 0.974 538 Q CA 1.416 57.520 55.803 0.502 0.000 0.840 538 Q CB -0.790 28.262 28.738 0.523 0.000 0.898 538 Q HN 0.427 nan 8.270 nan 0.000 0.430 539 Y N 0.146 120.611 120.300 0.276 0.000 2.242 539 Y HA -0.128 4.436 4.550 0.022 0.000 0.291 539 Y C 1.863 177.955 175.900 0.320 0.000 1.137 539 Y CA 0.900 59.136 58.100 0.227 0.000 1.181 539 Y CB -0.206 38.227 38.460 -0.045 0.000 0.989 539 Y HN 0.064 nan 8.280 nan 0.000 0.527 540 L N -1.870 119.609 121.223 0.428 0.000 2.056 540 L HA -0.268 4.076 4.340 0.007 0.000 0.207 540 L C 2.248 179.294 176.870 0.294 0.000 1.078 540 L CA 1.514 56.605 54.840 0.418 0.000 0.749 540 L CB -0.730 41.583 42.059 0.423 0.000 0.901 540 L HN 0.233 nan 8.230 nan 0.000 0.433 541 Y N 1.083 121.486 120.300 0.172 0.000 2.224 541 Y HA -0.297 4.256 4.550 0.005 0.000 0.289 541 Y C 2.872 178.758 175.900 -0.022 0.000 1.146 541 Y CA 1.488 59.614 58.100 0.044 0.000 1.182 541 Y CB -0.320 38.194 38.460 0.089 0.000 0.983 541 Y HN 0.267 nan 8.280 nan 0.000 0.524 542 S N -0.636 115.074 115.700 0.017 0.000 2.507 542 S HA -0.177 4.298 4.470 0.007 0.000 0.235 542 S C 1.336 175.909 174.600 -0.044 0.000 0.988 542 S CA 1.118 59.243 58.200 -0.125 0.000 0.944 542 S CB -0.450 62.668 63.200 -0.136 0.000 0.762 542 S HN 0.708 nan 8.310 nan 0.000 0.526 543 Q N 1.613 121.398 119.800 -0.026 0.000 2.246 543 Q HA 0.178 4.522 4.340 0.007 0.000 0.202 543 Q C 0.505 176.340 176.000 -0.274 0.000 0.883 543 Q CA 0.308 56.102 55.803 -0.015 0.000 0.952 543 Q CB 0.582 29.424 28.738 0.174 0.000 1.078 543 Q HN 0.796 nan 8.270 nan 0.000 0.493 544 T N -1.835 112.471 114.554 -0.413 0.000 2.927 544 T HA 0.716 5.070 4.350 0.007 0.000 0.286 544 T C -0.506 174.081 174.700 -0.188 0.000 1.040 544 T CA -0.853 60.963 62.100 -0.473 0.000 1.010 544 T CB 1.322 69.805 68.868 -0.642 0.000 1.177 544 T HN 0.153 nan 8.240 nan 0.000 0.546 545 F N -1.618 118.191 119.950 -0.234 0.000 2.641 545 F HA 0.743 5.273 4.527 0.006 0.000 0.308 545 F C -2.908 172.826 175.800 -0.110 0.000 1.105 545 F CA -2.282 55.619 58.000 -0.165 0.000 0.964 545 F CB 0.034 38.966 39.000 -0.113 0.000 1.294 545 F HN 0.555 nan 8.300 nan 0.000 0.442 546 P HA 0.190 nan 4.420 nan 0.000 0.269 546 P C 0.618 177.969 177.300 0.086 0.000 1.215 546 P CA -0.407 62.709 63.100 0.026 0.000 0.780 546 P CB 1.515 33.241 31.700 0.044 0.000 0.898 547 L N 0.923 122.159 121.223 0.022 0.000 2.191 547 L HA -0.162 4.182 4.340 0.007 0.000 0.212 547 L C 1.723 178.646 176.870 0.089 0.000 1.103 547 L CA 1.664 56.534 54.840 0.049 0.000 0.769 547 L CB -0.810 41.258 42.059 0.015 0.000 0.908 547 L HN 0.475 nan 8.230 nan 0.000 0.438 548 D N -0.807 119.636 120.400 0.071 0.000 2.336 548 D HA -0.008 4.637 4.640 0.007 0.000 0.229 548 D C 0.535 176.871 176.300 0.060 0.000 1.061 548 D CA 0.304 54.339 54.000 0.058 0.000 0.875 548 D CB 0.120 40.942 40.800 0.036 0.000 0.904 548 D HN 0.039 nan 8.370 nan 0.000 0.525 549 I N 1.243 121.871 120.570 0.096 0.000 2.441 549 I HA 0.296 4.470 4.170 0.007 0.000 0.295 549 I C 1.276 177.408 176.117 0.025 0.000 0.994 549 I CA -0.647 60.679 61.300 0.045 0.000 1.144 549 I CB 2.027 40.055 38.000 0.047 0.000 1.314 549 I HN 0.070 nan 8.210 nan 0.000 0.445 550 R N 1.934 122.384 120.500 -0.083 0.000 2.521 550 R HA 0.265 4.610 4.340 0.007 0.000 0.289 550 R C -0.515 175.559 176.300 -0.376 0.000 0.936 550 R CA -0.282 55.754 56.100 -0.107 0.000 1.089 550 R CB 0.537 30.874 30.300 0.061 0.000 1.348 550 R HN 0.402 nan 8.270 nan 0.000 0.536 551 D N 2.409 122.470 120.400 -0.565 0.000 2.461 551 D HA 0.314 4.958 4.640 0.007 0.000 0.240 551 D C -0.206 175.775 176.300 -0.532 0.000 1.094 551 D CA -0.715 52.736 54.000 -0.915 0.000 0.868 551 D CB 0.970 41.065 40.800 -1.176 0.000 1.062 551 D HN 0.405 nan 8.370 nan 0.000 0.530 552 I N -0.115 120.173 120.570 -0.470 0.000 3.067 552 I HA 0.784 4.958 4.170 0.007 0.000 0.312 552 I C -0.726 175.253 176.117 -0.231 0.000 1.073 552 I CA -0.985 60.107 61.300 -0.346 0.000 1.016 552 I CB 2.255 39.983 38.000 -0.454 0.000 1.227 552 I HN 0.281 nan 8.210 nan 0.000 0.456 553 S N 2.908 118.512 115.700 -0.159 0.000 2.541 553 S HA 0.665 5.139 4.470 0.007 0.000 0.280 553 S C -0.798 173.763 174.600 -0.065 0.000 1.112 553 S CA -0.922 57.218 58.200 -0.100 0.000 0.925 553 S CB 1.633 64.775 63.200 -0.096 0.000 1.067 553 S HN 0.671 nan 8.310 nan 0.000 0.479 554 L N 1.912 123.110 121.223 -0.042 0.000 2.418 554 L HA 0.712 5.056 4.340 0.007 0.000 0.265 554 L C 0.544 177.411 176.870 -0.005 0.000 1.143 554 L CA -0.321 54.506 54.840 -0.022 0.000 0.809 554 L CB 1.524 43.568 42.059 -0.025 0.000 1.124 554 L HN 0.909 nan 8.230 nan 0.000 0.456 555 T N -1.138 113.430 114.554 0.023 0.000 2.923 555 T HA 0.229 4.583 4.350 0.007 0.000 0.311 555 T C 0.415 175.176 174.700 0.103 0.000 1.183 555 T CA -0.253 61.885 62.100 0.064 0.000 1.020 555 T CB 1.572 70.493 68.868 0.088 0.000 1.165 555 T HN 0.676 nan 8.240 nan 0.000 0.482 556 S N 1.694 117.472 115.700 0.131 0.000 2.575 556 S HA 0.203 4.677 4.470 0.007 0.000 0.215 556 S C 0.907 175.738 174.600 0.384 0.000 0.966 556 S CA -0.134 58.182 58.200 0.192 0.000 0.911 556 S CB 0.090 63.382 63.200 0.154 0.000 0.780 556 S HN 0.581 nan 8.310 nan 0.000 0.514 557 S N 1.267 117.153 115.700 0.311 0.000 2.409 557 S HA 0.365 4.839 4.470 0.007 0.000 0.308 557 S C 0.405 175.150 174.600 0.241 0.000 1.080 557 S CA -0.925 57.435 58.200 0.266 0.000 1.081 557 S CB -0.365 62.934 63.200 0.165 0.000 1.009 557 S HN 0.405 nan 8.310 nan 0.000 0.502 558 F N 5.016 124.946 119.950 -0.034 0.000 2.126 558 F HA -0.114 4.425 4.527 0.020 0.000 0.299 558 F C 1.697 177.366 175.800 -0.217 0.000 1.096 558 F CA 1.936 59.667 58.000 -0.449 0.000 1.255 558 F CB -0.136 38.359 39.000 -0.840 0.000 0.997 558 F HN 0.594 nan 8.300 nan 0.000 0.479 559 D N 0.239 120.538 120.400 -0.168 0.000 2.117 559 D HA -0.174 4.471 4.640 0.007 0.000 0.197 559 D C 1.744 177.938 176.300 -0.178 0.000 0.987 559 D CA 1.581 55.449 54.000 -0.220 0.000 0.829 559 D CB -0.434 40.367 40.800 0.002 0.000 0.961 559 D HN 0.364 nan 8.370 nan 0.000 0.460 560 D N 0.716 121.105 120.400 -0.017 0.000 2.144 560 D HA -0.053 4.591 4.640 0.007 0.000 0.200 560 D C 2.071 178.430 176.300 0.098 0.000 0.978 560 D CA 0.915 54.998 54.000 0.138 0.000 0.833 560 D CB -0.259 40.667 40.800 0.211 0.000 0.961 560 D HN 0.097 nan 8.370 nan 0.000 0.470 561 A N 0.576 123.378 122.820 -0.030 0.000 1.933 561 A HA -0.128 4.196 4.320 0.007 0.000 0.218 561 A C 2.331 179.802 177.584 -0.189 0.000 1.175 561 A CA 0.906 52.906 52.037 -0.062 0.000 0.628 561 A CB -0.710 18.264 19.000 -0.042 0.000 0.814 561 A HN 0.221 nan 8.150 nan 0.000 0.444 562 L N -1.322 119.682 121.223 -0.364 0.000 2.093 562 L HA -0.141 4.203 4.340 0.007 0.000 0.208 562 L C 2.395 179.107 176.870 -0.263 0.000 1.085 562 L CA 0.646 55.283 54.840 -0.339 0.000 0.755 562 L CB -0.410 41.370 42.059 -0.466 0.000 0.904 562 L HN 0.304 nan 8.230 nan 0.000 0.435 563 L N -1.243 119.776 121.223 -0.339 0.000 2.072 563 L HA -0.040 4.304 4.340 0.007 0.000 0.205 563 L C 0.254 176.682 176.870 -0.737 0.000 1.079 563 L CA 1.417 55.902 54.840 -0.592 0.000 0.752 563 L CB -0.271 41.262 42.059 -0.876 0.000 0.906 563 L HN -0.065 nan 8.230 nan 0.000 0.436 564 F N -1.425 118.477 119.950 -0.079 0.000 2.444 564 F HA 0.237 4.768 4.527 0.006 0.000 0.342 564 F C 1.542 177.297 175.800 -0.074 0.000 1.121 564 F CA -0.450 57.510 58.000 -0.067 0.000 0.997 564 F CB 1.071 40.034 39.000 -0.061 0.000 1.130 564 F HN -0.139 nan 8.300 nan 0.000 0.454 565 S N 0.578 116.328 115.700 0.085 0.000 2.442 565 S HA -0.210 4.264 4.470 0.007 0.000 0.236 565 S C 1.283 175.898 174.600 0.025 0.000 1.007 565 S CA 1.285 59.504 58.200 0.031 0.000 0.965 565 S CB -0.466 62.749 63.200 0.025 0.000 0.773 565 S HN 0.766 nan 8.310 nan 0.000 0.504 566 N N 0.870 119.588 118.700 0.029 0.000 2.322 566 N HA 0.080 4.824 4.740 0.007 0.000 0.194 566 N C -0.436 175.036 175.510 -0.063 0.000 1.126 566 N CA -0.064 52.951 53.050 -0.059 0.000 0.845 566 N CB 0.002 38.437 38.487 -0.088 0.000 0.976 566 N HN 0.185 nan 8.380 nan 0.000 0.475 567 K N 0.978 121.385 120.400 0.011 0.000 2.274 567 K HA 0.413 4.737 4.320 0.007 0.000 0.262 567 K C -0.986 175.623 176.600 0.015 0.000 0.961 567 K CA -0.725 55.571 56.287 0.016 0.000 0.833 567 K CB 2.828 35.387 32.500 0.098 0.000 1.102 567 K HN -0.151 nan 8.250 nan 0.000 0.436 568 V N 3.774 123.695 119.914 0.012 0.000 2.487 568 V HA 0.193 4.318 4.120 0.007 0.000 0.298 568 V C -0.534 175.614 176.094 0.090 0.000 1.028 568 V CA -1.133 61.193 62.300 0.043 0.000 0.860 568 V CB 1.242 33.091 31.823 0.043 0.000 0.991 568 V HN 0.625 nan 8.190 nan 0.000 0.427 569 Y N 3.575 123.868 120.300 -0.011 0.000 2.497 569 Y HA 0.439 4.992 4.550 0.005 0.000 0.334 569 Y C 0.541 176.458 175.900 0.029 0.000 1.199 569 Y CA 0.588 58.707 58.100 0.032 0.000 1.425 569 Y CB 1.107 39.607 38.460 0.067 0.000 1.291 569 Y HN 0.660 nan 8.280 nan 0.000 0.562 570 S N 5.855 121.132 115.700 -0.705 0.000 2.547 570 S HA 0.403 4.877 4.470 0.007 0.000 0.281 570 S C -0.288 173.756 174.600 -0.927 0.000 1.118 570 S CA -0.775 56.986 58.200 -0.732 0.000 0.947 570 S CB 0.097 63.109 63.200 -0.313 0.000 1.053 570 S HN 0.628 nan 8.310 nan 0.000 0.482 571 F N 2.462 121.996 119.950 -0.692 0.000 2.693 571 F HA 0.549 5.083 4.527 0.012 0.000 0.303 571 F C 0.040 175.749 175.800 -0.153 0.000 1.097 571 F CA -0.993 56.774 58.000 -0.387 0.000 1.330 571 F CB -0.431 38.448 39.000 -0.203 0.000 1.067 571 F HN 0.327 nan 8.300 nan 0.000 0.565 572 F N 1.302 120.960 119.950 -0.486 0.000 2.362 572 F HA 0.330 4.860 4.527 0.005 0.000 0.311 572 F C 1.507 177.239 175.800 -0.113 0.000 1.161 572 F CA -1.141 56.614 58.000 -0.408 0.000 1.085 572 F CB 0.787 39.303 39.000 -0.807 0.000 1.311 572 F HN 0.002 nan 8.300 nan 0.000 0.524 573 S N 1.253 117.032 115.700 0.132 0.000 2.569 573 S HA -0.104 4.370 4.470 0.007 0.000 0.274 573 S C 0.925 175.618 174.600 0.155 0.000 1.353 573 S CA -0.612 57.662 58.200 0.123 0.000 1.023 573 S CB 0.645 63.883 63.200 0.064 0.000 0.876 573 S HN 0.869 nan 8.310 nan 0.000 0.540 574 M N 0.455 120.121 119.600 0.111 0.000 2.117 574 M HA -0.150 4.334 4.480 0.007 0.000 0.262 574 M C 1.736 178.085 176.300 0.082 0.000 1.065 574 M CA 2.515 57.871 55.300 0.092 0.000 1.114 574 M CB -0.663 31.983 32.600 0.076 0.000 1.361 574 M HN 0.985 nan 8.290 nan 0.000 0.408 575 D N -0.882 119.566 120.400 0.081 0.000 2.117 575 D HA -0.242 4.402 4.640 0.007 0.000 0.198 575 D C 1.833 178.176 176.300 0.071 0.000 0.982 575 D CA 1.414 55.452 54.000 0.064 0.000 0.828 575 D CB -0.305 40.526 40.800 0.052 0.000 0.967 575 D HN 0.537 nan 8.370 nan 0.000 0.464 576 Y N 0.943 121.240 120.300 -0.005 0.000 2.128 576 Y HA -0.146 4.409 4.550 0.007 0.000 0.284 576 Y C 1.940 177.862 175.900 0.036 0.000 1.154 576 Y CA 1.636 59.732 58.100 -0.006 0.000 1.149 576 Y CB -0.396 38.045 38.460 -0.032 0.000 0.976 576 Y HN 0.045 nan 8.280 nan 0.000 0.505 577 I N 0.250 120.799 120.570 -0.034 0.000 2.226 577 I HA -0.330 3.844 4.170 0.007 0.000 0.245 577 I C 2.412 178.473 176.117 -0.093 0.000 1.100 577 I CA 1.703 62.941 61.300 -0.102 0.000 1.374 577 I CB -0.442 37.578 38.000 0.033 0.000 1.057 577 I HN 0.203 nan 8.210 nan 0.000 0.413 578 K N 0.305 120.687 120.400 -0.030 0.000 2.002 578 K HA -0.132 4.192 4.320 0.007 0.000 0.209 578 K C 2.121 178.731 176.600 0.017 0.000 1.048 578 K CA 1.999 58.286 56.287 -0.001 0.000 0.930 578 K CB -0.328 32.184 32.500 0.020 0.000 0.714 578 K HN 0.276 nan 8.250 nan 0.000 0.438 579 T N 1.117 115.677 114.554 0.010 0.000 2.759 579 T HA -0.164 4.190 4.350 0.007 0.000 0.269 579 T C 1.937 176.764 174.700 0.211 0.000 1.042 579 T CA 1.366 63.525 62.100 0.099 0.000 1.140 579 T CB -0.256 68.622 68.868 0.016 0.000 0.864 579 T HN 0.322 nan 8.240 nan 0.000 0.455 580 A N 2.202 124.999 122.820 -0.039 0.000 1.972 580 A HA -0.085 4.239 4.320 0.007 0.000 0.219 580 A C 2.072 179.784 177.584 0.214 0.000 1.169 580 A CA 1.143 53.202 52.037 0.036 0.000 0.635 580 A CB -0.331 18.474 19.000 -0.325 0.000 0.810 580 A HN 0.394 nan 8.150 nan 0.000 0.446 581 N N -0.378 118.373 118.700 0.085 0.000 2.336 581 N HA 0.026 4.770 4.740 0.007 0.000 0.189 581 N C 0.334 175.844 175.510 -0.000 0.000 1.113 581 N CA 0.212 53.282 53.050 0.034 0.000 0.858 581 N CB 0.055 38.535 38.487 -0.011 0.000 0.970 581 N HN 0.543 nan 8.380 nan 0.000 0.471 582 K N 1.240 121.664 120.400 0.040 0.000 2.350 582 K HA 0.188 4.513 4.320 0.007 0.000 0.279 582 K C -0.644 175.759 176.600 -0.329 0.000 1.027 582 K CA -0.018 56.225 56.287 -0.074 0.000 0.969 582 K CB 0.779 33.312 32.500 0.054 0.000 0.954 582 K HN -0.275 nan 8.250 nan 0.000 0.474 583 V N 5.739 125.510 119.914 -0.238 0.000 2.459 583 V HA 0.371 4.495 4.120 0.007 0.000 0.295 583 V C -0.139 175.847 176.094 -0.180 0.000 1.029 583 V CA -0.661 61.485 62.300 -0.256 0.000 0.874 583 V CB 1.278 33.007 31.823 -0.155 0.000 0.985 583 V HN 0.695 nan 8.190 nan 0.000 0.438 584 V N 1.383 121.212 119.914 -0.141 0.000 3.158 584 V HA 0.740 4.865 4.120 0.007 0.000 0.311 584 V C -0.428 175.734 176.094 0.114 0.000 1.181 584 V CA -0.962 61.336 62.300 -0.003 0.000 1.054 584 V CB 2.165 34.006 31.823 0.030 0.000 1.085 584 V HN 0.646 nan 8.190 nan 0.000 0.446 585 E N 0.467 120.724 120.200 0.096 0.000 2.373 585 E HA 0.474 4.828 4.350 0.007 0.000 0.263 585 E C 1.283 177.898 176.600 0.024 0.000 1.073 585 E CA 0.396 56.844 56.400 0.081 0.000 0.894 585 E CB 1.663 31.380 29.700 0.028 0.000 1.008 585 E HN 0.958 nan 8.360 nan 0.000 0.420 586 A N 3.158 125.843 122.820 -0.225 0.000 1.927 586 A HA -0.225 4.099 4.320 0.007 0.000 0.220 586 A C 2.019 179.491 177.584 -0.188 0.000 1.185 586 A CA 2.376 54.038 52.037 -0.624 0.000 0.639 586 A CB -1.045 17.506 19.000 -0.747 0.000 0.820 586 A HN 0.702 nan 8.150 nan 0.000 0.451 587 G N -0.973 107.771 108.800 -0.093 0.000 2.470 587 G HA2 -0.028 3.936 3.960 0.007 0.000 0.220 587 G HA3 -0.028 3.936 3.960 0.007 0.000 0.220 587 G C 1.254 176.174 174.900 0.034 0.000 1.121 587 G CA 1.037 46.123 45.100 -0.023 0.000 0.766 587 G HN 0.490 nan 8.290 nan 0.000 0.553 588 L N -1.106 120.162 121.223 0.074 0.000 2.693 588 L HA 0.364 4.709 4.340 0.007 0.000 0.235 588 L C 1.935 178.933 176.870 0.213 0.000 1.127 588 L CA -0.474 54.436 54.840 0.117 0.000 0.914 588 L CB 0.046 42.167 42.059 0.103 0.000 1.193 588 L HN 0.082 nan 8.230 nan 0.000 0.502 589 F N 1.921 121.917 119.950 0.075 0.000 2.102 589 F HA -0.191 4.340 4.527 0.007 0.000 0.298 589 F C 2.438 178.369 175.800 0.218 0.000 1.105 589 F CA 1.445 59.559 58.000 0.191 0.000 1.239 589 F CB -0.092 39.019 39.000 0.185 0.000 0.991 589 F HN 0.063 nan 8.300 nan 0.000 0.474 590 A N 0.088 122.970 122.820 0.102 0.000 1.940 590 A HA -0.082 4.242 4.320 0.007 0.000 0.219 590 A C 2.514 180.051 177.584 -0.079 0.000 1.176 590 A CA 1.758 53.768 52.037 -0.045 0.000 0.631 590 A CB -1.776 17.228 19.000 0.006 0.000 0.814 590 A HN 0.496 nan 8.150 nan 0.000 0.446 591 G N -1.651 107.150 108.800 0.002 0.000 2.421 591 G HA2 -0.280 3.684 3.960 0.007 0.000 0.216 591 G HA3 -0.280 3.684 3.960 0.007 0.000 0.216 591 G C 1.400 176.295 174.900 -0.009 0.000 1.171 591 G CA 1.065 46.164 45.100 -0.001 0.000 0.775 591 G HN 0.722 nan 8.290 nan 0.000 0.543 592 W N 1.144 122.354 121.300 -0.149 0.000 2.358 592 W HA -0.096 4.568 4.660 0.007 0.000 0.303 592 W C 2.376 178.748 176.519 -0.245 0.000 1.208 592 W CA 1.711 58.959 57.345 -0.162 0.000 1.274 592 W CB -0.302 29.083 29.460 -0.124 0.000 1.138 592 W HN 0.037 nan 8.180 nan 0.000 0.515 593 V N 1.471 121.131 119.914 -0.425 0.000 2.295 593 V HA -0.346 3.778 4.120 0.007 0.000 0.246 593 V C 2.536 178.327 176.094 -0.505 0.000 1.049 593 V CA 2.440 64.346 62.300 -0.656 0.000 1.024 593 V CB -1.099 30.390 31.823 -0.558 0.000 0.648 593 V HN 0.234 nan 8.190 nan 0.000 0.447 594 K N -0.118 120.082 120.400 -0.332 0.000 2.063 594 K HA -0.284 4.040 4.320 0.007 0.000 0.208 594 K C 2.317 178.773 176.600 -0.239 0.000 1.048 594 K CA 2.121 58.265 56.287 -0.238 0.000 0.928 594 K CB -0.185 32.221 32.500 -0.157 0.000 0.713 594 K HN 0.576 nan 8.250 nan 0.000 0.442 595 Q N 0.424 120.065 119.800 -0.264 0.000 2.020 595 Q HA -0.196 4.149 4.340 0.007 0.000 0.202 595 Q C 2.132 177.959 176.000 -0.288 0.000 0.982 595 Q CA 1.730 57.394 55.803 -0.232 0.000 0.838 595 Q CB -0.158 28.468 28.738 -0.187 0.000 0.899 595 Q HN 0.366 nan 8.270 nan 0.000 0.423 596 I N 0.121 120.370 120.570 -0.534 0.000 2.315 596 I HA -0.183 3.991 4.170 0.007 0.000 0.248 596 I C 1.968 177.964 176.117 -0.201 0.000 1.117 596 I CA 0.847 61.867 61.300 -0.467 0.000 1.404 596 I CB -0.139 37.304 38.000 -0.929 0.000 1.071 596 I HN 0.095 nan 8.210 nan 0.000 0.419 597 V N 0.881 120.637 119.914 -0.263 0.000 2.358 597 V HA -0.277 3.847 4.120 0.007 0.000 0.246 597 V C 2.312 178.396 176.094 -0.016 0.000 1.047 597 V CA 2.135 64.359 62.300 -0.126 0.000 1.035 597 V CB -1.144 30.558 31.823 -0.202 0.000 0.658 597 V HN 0.546 nan 8.190 nan 0.000 0.452 598 N N 0.526 119.182 118.700 -0.073 0.000 2.120 598 N HA -0.197 4.547 4.740 0.007 0.000 0.188 598 N C 1.473 176.968 175.510 -0.025 0.000 1.024 598 N CA 1.815 54.837 53.050 -0.046 0.000 0.852 598 N CB -0.223 38.220 38.487 -0.072 0.000 1.003 598 N HN 0.420 nan 8.380 nan 0.000 0.424 599 D N -0.487 119.906 120.400 -0.011 0.000 2.123 599 D HA -0.166 4.478 4.640 0.007 0.000 0.196 599 D C 1.545 177.811 176.300 -0.056 0.000 0.992 599 D CA 0.704 54.709 54.000 0.008 0.000 0.833 599 D CB -0.526 40.346 40.800 0.119 0.000 0.954 599 D HN 0.351 nan 8.370 nan 0.000 0.455 600 F N 1.228 121.135 119.950 -0.073 0.000 2.095 600 F HA -0.242 4.290 4.527 0.009 0.000 0.298 600 F C 2.193 177.810 175.800 -0.305 0.000 1.104 600 F CA 1.137 59.007 58.000 -0.218 0.000 1.232 600 F CB -0.132 38.877 39.000 0.015 0.000 0.987 600 F HN -0.196 nan 8.300 nan 0.000 0.475 601 V N 0.798 120.742 119.914 0.051 0.000 2.343 601 V HA -0.313 3.811 4.120 0.007 0.000 0.247 601 V C 2.387 178.367 176.094 -0.189 0.000 1.051 601 V CA 2.035 64.325 62.300 -0.017 0.000 1.036 601 V CB -0.622 31.227 31.823 0.043 0.000 0.654 601 V HN 0.379 nan 8.190 nan 0.000 0.451 602 I N -0.361 120.084 120.570 -0.208 0.000 2.179 602 I HA -0.192 3.982 4.170 0.007 0.000 0.242 602 I C 2.722 178.619 176.117 -0.367 0.000 1.088 602 I CA 1.383 62.551 61.300 -0.221 0.000 1.357 602 I CB -0.458 37.440 38.000 -0.169 0.000 1.051 602 I HN 0.308 nan 8.210 nan 0.000 0.409 603 E N 1.040 120.842 120.200 -0.662 0.000 2.058 603 E HA -0.235 4.119 4.350 0.007 0.000 0.194 603 E C 2.331 178.347 176.600 -0.973 0.000 0.997 603 E CA 1.629 57.388 56.400 -1.068 0.000 0.801 603 E CB -0.420 27.989 29.700 -2.151 0.000 0.746 603 E HN 0.511 nan 8.360 nan 0.000 0.450 604 A N 1.507 123.740 122.820 -0.978 0.000 1.940 604 A HA -0.201 4.123 4.320 0.007 0.000 0.219 604 A C 1.870 179.432 177.584 -0.036 0.000 1.176 604 A CA 1.693 53.505 52.037 -0.375 0.000 0.631 604 A CB -0.886 17.946 19.000 -0.281 0.000 0.814 604 A HN 0.311 nan 8.150 nan 0.000 0.446 605 N N -0.616 118.018 118.700 -0.111 0.000 2.573 605 N HA -0.065 4.679 4.740 0.007 0.000 0.187 605 N C 1.125 176.621 175.510 -0.022 0.000 1.107 605 N CA 0.399 53.426 53.050 -0.039 0.000 0.918 605 N CB -0.070 38.381 38.487 -0.060 0.000 0.966 605 N HN 0.483 nan 8.380 nan 0.000 0.448 606 K N 0.578 120.982 120.400 0.006 0.000 2.515 606 K HA -0.027 4.297 4.320 0.007 0.000 0.196 606 K C 1.695 178.268 176.600 -0.045 0.000 1.038 606 K CA 0.627 56.920 56.287 0.009 0.000 0.967 606 K CB 0.075 32.612 32.500 0.062 0.000 0.780 606 K HN 0.221 nan 8.250 nan 0.000 0.483 607 S N 1.337 117.022 115.700 -0.026 0.000 2.547 607 S HA -0.098 4.376 4.470 0.007 0.000 0.235 607 S C 1.140 175.644 174.600 -0.160 0.000 0.980 607 S CA 0.966 59.045 58.200 -0.202 0.000 0.941 607 S CB -0.368 62.784 63.200 -0.079 0.000 0.763 607 S HN 0.382 nan 8.310 nan 0.000 0.532 608 N N 0.518 119.159 118.700 -0.097 0.000 2.235 608 N HA 0.081 4.826 4.740 0.007 0.000 0.209 608 N C -0.441 175.013 175.510 -0.094 0.000 1.122 608 N CA -0.156 52.847 53.050 -0.079 0.000 0.845 608 N CB -0.690 37.770 38.487 -0.045 0.000 1.004 608 N HN 0.066 nan 8.380 nan 0.000 0.499 609 T N 1.624 116.103 114.554 -0.124 0.000 2.934 609 T HA 0.067 4.421 4.350 0.007 0.000 0.306 609 T C 0.377 175.012 174.700 -0.108 0.000 1.042 609 T CA 0.384 62.416 62.100 -0.113 0.000 1.145 609 T CB 0.358 69.151 68.868 -0.125 0.000 0.982 609 T HN 0.194 nan 8.240 nan 0.000 0.544 610 M N 2.420 121.969 119.600 -0.084 0.000 2.537 610 M HA 0.366 4.851 4.480 0.007 0.000 0.324 610 M C 0.090 176.354 176.300 -0.061 0.000 1.187 610 M CA -0.544 54.715 55.300 -0.069 0.000 0.993 610 M CB 1.411 33.969 32.600 -0.071 0.000 1.666 610 M HN 0.445 nan 8.290 nan 0.000 0.461 611 D N 0.421 120.797 120.400 -0.041 0.000 2.992 611 D HA 0.170 4.814 4.640 0.007 0.000 0.372 611 D C 0.584 176.870 176.300 -0.024 0.000 1.374 611 D CA 0.004 53.989 54.000 -0.025 0.000 0.769 611 D CB 0.443 41.243 40.800 -0.000 0.000 1.215 611 D HN 0.305 nan 8.370 nan 0.000 0.473 612 K N 0.223 120.597 120.400 -0.045 0.000 2.113 612 K HA -0.147 4.177 4.320 0.007 0.000 0.208 612 K C 1.751 178.315 176.600 -0.060 0.000 1.047 612 K CA 0.679 56.937 56.287 -0.049 0.000 0.928 612 K CB -0.011 32.448 32.500 -0.069 0.000 0.716 612 K HN 0.356 nan 8.250 nan 0.000 0.446 613 I N 0.957 121.489 120.570 -0.064 0.000 2.361 613 I HA -0.162 4.012 4.170 0.007 0.000 0.251 613 I C 1.546 177.588 176.117 -0.124 0.000 1.133 613 I CA 1.082 62.325 61.300 -0.095 0.000 1.413 613 I CB -0.226 37.748 38.000 -0.043 0.000 1.073 613 I HN 0.066 nan 8.210 nan 0.000 0.424 614 A N -0.708 122.077 122.820 -0.058 0.000 2.337 614 A HA 0.149 4.473 4.320 0.007 0.000 0.227 614 A C 0.571 178.137 177.584 -0.030 0.000 1.259 614 A CA 0.343 52.357 52.037 -0.038 0.000 0.870 614 A CB -0.480 18.525 19.000 0.009 0.000 0.927 614 A HN 0.487 nan 8.150 nan 0.000 0.497 615 D N -0.812 119.564 120.400 -0.040 0.000 2.772 615 D HA -0.151 4.493 4.640 0.007 0.000 0.233 615 D C -0.440 175.866 176.300 0.009 0.000 1.143 615 D CA 1.128 55.117 54.000 -0.019 0.000 0.700 615 D CB -1.292 39.487 40.800 -0.035 0.000 1.076 615 D HN 0.570 nan 8.370 nan 0.000 0.430 616 I N 0.464 121.052 120.570 0.030 0.000 2.476 616 I HA 0.076 4.251 4.170 0.007 0.000 0.281 616 I C 1.318 177.464 176.117 0.048 0.000 1.040 616 I CA -0.459 60.889 61.300 0.080 0.000 1.094 616 I CB 1.822 39.916 38.000 0.157 0.000 1.219 616 I HN -0.266 nan 8.210 nan 0.000 0.450 617 S N 4.740 120.464 115.700 0.040 0.000 2.402 617 S HA 0.018 4.492 4.470 0.007 0.000 0.229 617 S C 0.269 174.877 174.600 0.014 0.000 1.021 617 S CA 0.886 59.095 58.200 0.014 0.000 0.974 617 S CB -0.016 63.189 63.200 0.008 0.000 0.800 617 S HN 0.474 nan 8.310 nan 0.000 0.484 618 L N 0.171 121.425 121.223 0.052 0.000 2.455 618 L HA 0.735 5.079 4.340 0.007 0.000 0.264 618 L C -1.346 175.505 176.870 -0.030 0.000 0.968 618 L CA -0.512 54.340 54.840 0.020 0.000 0.827 618 L CB 1.984 44.088 42.059 0.075 0.000 1.317 618 L HN 0.143 nan 8.230 nan 0.000 0.407 619 I N 4.089 124.487 120.570 -0.287 0.000 2.722 619 I HA 0.475 4.649 4.170 0.007 0.000 0.292 619 I C -1.487 174.176 176.117 -0.757 0.000 1.267 619 I CA -0.654 60.218 61.300 -0.714 0.000 1.036 619 I CB 2.272 40.010 38.000 -0.436 0.000 1.281 619 I HN 0.335 nan 8.210 nan 0.000 0.423 620 V N 9.711 128.918 119.914 -1.179 0.000 2.304 620 V HA 0.286 4.410 4.120 0.007 0.000 0.262 620 V C -1.386 174.307 176.094 -0.668 0.000 1.061 620 V CA -0.997 60.776 62.300 -0.879 0.000 0.872 620 V CB 0.582 31.869 31.823 -0.894 0.000 1.077 620 V HN 0.673 nan 8.190 nan 0.000 0.480 621 P HA -0.177 nan 4.420 nan 0.000 0.219 621 P C 0.973 178.219 177.300 -0.090 0.000 1.146 621 P CA 1.509 64.546 63.100 -0.106 0.000 0.808 621 P CB 0.071 31.753 31.700 -0.030 0.000 0.779 622 Y N -2.567 117.669 120.300 -0.107 0.000 2.466 622 Y HA 0.327 4.881 4.550 0.007 0.000 0.272 622 Y C 2.122 177.802 175.900 -0.366 0.000 1.169 622 Y CA -0.920 57.116 58.100 -0.107 0.000 1.285 622 Y CB -1.675 36.871 38.460 0.144 0.000 1.078 622 Y HN -0.216 nan 8.280 nan 0.000 0.523 623 I N 1.223 121.465 120.570 -0.547 0.000 2.208 623 I HA -0.233 3.941 4.170 0.007 0.000 0.245 623 I C 2.645 178.396 176.117 -0.610 0.000 1.097 623 I CA 1.694 62.651 61.300 -0.572 0.000 1.363 623 I CB -0.679 36.967 38.000 -0.591 0.000 1.051 623 I HN 0.504 nan 8.210 nan 0.000 0.413 624 G N 0.894 109.157 108.800 -0.896 0.000 2.418 624 G HA2 -0.182 3.782 3.960 0.007 0.000 0.217 624 G HA3 -0.182 3.782 3.960 0.007 0.000 0.217 624 G C 1.713 176.465 174.900 -0.247 0.000 1.158 624 G CA 0.400 45.174 45.100 -0.543 0.000 0.771 624 G HN 0.269 nan 8.290 nan 0.000 0.545 625 L N 0.506 121.675 121.223 -0.090 0.000 2.141 625 L HA 0.022 4.366 4.340 0.007 0.000 0.209 625 L C 3.321 180.352 176.870 0.269 0.000 1.094 625 L CA 0.803 55.749 54.840 0.177 0.000 0.763 625 L CB -0.223 42.010 42.059 0.291 0.000 0.908 625 L HN 0.321 nan 8.230 nan 0.000 0.437 626 A N -0.304 122.429 122.820 -0.144 0.000 1.929 626 A HA -0.033 4.292 4.320 0.007 0.000 0.216 626 A C 1.996 179.579 177.584 -0.002 0.000 1.176 626 A CA 1.285 53.081 52.037 -0.402 0.000 0.628 626 A CB -0.127 18.101 19.000 -1.287 0.000 0.816 626 A HN 0.428 nan 8.150 nan 0.000 0.444 627 L N -3.046 118.080 121.223 -0.162 0.000 2.902 627 L HA 0.227 4.571 4.340 0.007 0.000 0.254 627 L C 0.722 177.282 176.870 -0.517 0.000 1.115 627 L CA 0.370 55.097 54.840 -0.188 0.000 0.947 627 L CB 0.027 41.981 42.059 -0.174 0.000 1.369 627 L HN 0.381 nan 8.230 nan 0.000 0.538 628 N N 1.092 119.391 118.700 -0.669 0.000 2.710 628 N HA -0.195 4.549 4.740 0.007 0.000 0.249 628 N C -0.365 174.877 175.510 -0.448 0.000 1.059 628 N CA 0.514 53.113 53.050 -0.750 0.000 0.720 628 N CB -1.015 36.545 38.487 -1.543 0.000 0.983 628 N HN 0.166 nan 8.380 nan 0.000 0.544 629 V N -0.197 119.536 119.914 -0.302 0.000 2.834 629 V HA 0.651 4.775 4.120 0.007 0.000 0.301 629 V C 1.642 177.626 176.094 -0.183 0.000 1.066 629 V CA 1.035 63.203 62.300 -0.219 0.000 1.052 629 V CB 0.802 32.548 31.823 -0.128 0.000 1.021 629 V HN 0.924 nan 8.190 nan 0.000 0.480 630 G N 4.820 113.470 108.800 -0.250 0.000 2.528 630 G HA2 -0.314 3.650 3.960 0.007 0.000 0.262 630 G HA3 -0.314 3.650 3.960 0.007 0.000 0.262 630 G C 0.249 175.062 174.900 -0.144 0.000 1.200 630 G CA 0.414 45.384 45.100 -0.218 0.000 0.951 630 G HN 1.140 nan 8.290 nan 0.000 0.566 631 N N 2.806 121.461 118.700 -0.074 0.000 2.819 631 N HA 0.211 4.955 4.740 0.007 0.000 0.284 631 N C 0.467 175.966 175.510 -0.017 0.000 1.196 631 N CA 0.911 53.938 53.050 -0.039 0.000 1.114 631 N CB -1.065 37.412 38.487 -0.017 0.000 1.437 631 N HN 0.602 nan 8.380 nan 0.000 0.518 632 E N -0.036 120.134 120.200 -0.050 0.000 2.106 632 E HA -0.244 4.110 4.350 0.007 0.000 0.175 632 E C 0.324 176.913 176.600 -0.019 0.000 1.448 632 E CA 0.791 57.156 56.400 -0.058 0.000 0.672 632 E CB -0.942 28.745 29.700 -0.021 0.000 1.057 632 E HN 0.686 nan 8.360 nan 0.000 0.321 633 T N -3.171 111.370 114.554 -0.022 0.000 3.113 633 T HA 0.145 4.500 4.350 0.007 0.000 0.263 633 T C 1.598 176.328 174.700 0.050 0.000 1.143 633 T CA 0.534 62.697 62.100 0.104 0.000 1.090 633 T CB 0.336 69.296 68.868 0.153 0.000 0.922 633 T HN 0.358 nan 8.240 nan 0.000 0.521 634 A N 1.063 123.836 122.820 -0.080 0.000 2.123 634 A HA 0.242 4.567 4.320 0.007 0.000 0.214 634 A C 1.099 178.728 177.584 0.074 0.000 1.152 634 A CA 0.126 52.139 52.037 -0.041 0.000 0.728 634 A CB -0.115 18.773 19.000 -0.186 0.000 0.814 634 A HN 0.489 nan 8.150 nan 0.000 0.464 635 K N -0.232 120.209 120.400 0.067 0.000 2.143 635 K HA 0.478 4.802 4.320 0.007 0.000 0.272 635 K C 0.816 177.482 176.600 0.109 0.000 1.001 635 K CA 0.328 56.670 56.287 0.091 0.000 0.915 635 K CB 1.019 33.560 32.500 0.068 0.000 1.047 635 K HN 0.462 nan 8.250 nan 0.000 0.458 636 G N 2.354 111.219 108.800 0.109 0.000 2.598 636 G HA2 -0.299 3.666 3.960 0.007 0.000 0.244 636 G HA3 -0.299 3.666 3.960 0.007 0.000 0.244 636 G C -0.632 174.345 174.900 0.129 0.000 1.302 636 G CA -0.554 44.609 45.100 0.105 0.000 0.903 636 G HN 0.701 nan 8.290 nan 0.000 0.575 637 N N 0.451 119.221 118.700 0.118 0.000 2.426 637 N HA 0.371 5.115 4.740 0.007 0.000 0.257 637 N C 1.105 176.707 175.510 0.154 0.000 1.002 637 N CA -0.129 53.001 53.050 0.134 0.000 0.942 637 N CB 0.853 39.398 38.487 0.097 0.000 1.112 637 N HN 0.480 nan 8.380 nan 0.000 0.499 638 F N 4.102 124.088 119.950 0.059 0.000 2.102 638 F HA -0.130 4.394 4.527 -0.006 0.000 0.298 638 F C 2.210 178.064 175.800 0.091 0.000 1.105 638 F CA 1.657 59.694 58.000 0.062 0.000 1.239 638 F CB 0.002 39.015 39.000 0.021 0.000 0.991 638 F HN 0.685 nan 8.300 nan 0.000 0.474 639 E N -0.036 120.164 120.200 -0.000 0.000 2.058 639 E HA -0.337 4.017 4.350 0.007 0.000 0.194 639 E C 2.087 178.664 176.600 -0.038 0.000 0.997 639 E CA 1.629 57.990 56.400 -0.065 0.000 0.801 639 E CB -0.400 29.306 29.700 0.011 0.000 0.746 639 E HN 0.499 nan 8.360 nan 0.000 0.450 640 N N 0.085 118.783 118.700 -0.004 0.000 2.084 640 N HA -0.169 4.575 4.740 0.007 0.000 0.190 640 N C 1.667 177.160 175.510 -0.027 0.000 1.030 640 N CA 1.954 55.008 53.050 0.006 0.000 0.849 640 N CB -0.329 38.176 38.487 0.029 0.000 1.012 640 N HN 0.220 nan 8.380 nan 0.000 0.423 641 A N -0.554 122.234 122.820 -0.054 0.000 1.940 641 A HA -0.121 4.203 4.320 0.007 0.000 0.219 641 A C 2.174 179.687 177.584 -0.119 0.000 1.176 641 A CA 1.271 53.265 52.037 -0.072 0.000 0.631 641 A CB -1.183 17.791 19.000 -0.043 0.000 0.814 641 A HN 0.508 nan 8.150 nan 0.000 0.446 642 F N 0.897 120.617 119.950 -0.384 0.000 2.146 642 F HA -0.102 4.423 4.527 -0.004 0.000 0.298 642 F C 2.223 177.931 175.800 -0.152 0.000 1.096 642 F CA 1.955 59.755 58.000 -0.334 0.000 1.275 642 F CB -0.224 38.483 39.000 -0.487 0.000 1.008 642 F HN 0.365 nan 8.300 nan 0.000 0.480 643 E N 0.237 120.426 120.200 -0.018 0.000 2.160 643 E HA -0.226 4.129 4.350 0.007 0.000 0.195 643 E C 2.303 178.832 176.600 -0.119 0.000 0.991 643 E CA 1.693 58.065 56.400 -0.047 0.000 0.810 643 E CB -0.232 29.476 29.700 0.015 0.000 0.742 643 E HN 0.500 nan 8.360 nan 0.000 0.466 644 I N 0.342 120.844 120.570 -0.114 0.000 2.277 644 I HA -0.130 4.044 4.170 0.007 0.000 0.243 644 I C 2.254 178.284 176.117 -0.146 0.000 1.094 644 I CA 1.004 62.241 61.300 -0.105 0.000 1.393 644 I CB 0.003 37.961 38.000 -0.071 0.000 1.078 644 I HN 0.036 nan 8.210 nan 0.000 0.417 645 A N -0.103 122.606 122.820 -0.185 0.000 2.229 645 A HA 0.507 4.831 4.320 0.007 0.000 0.211 645 A C 1.256 178.670 177.584 -0.283 0.000 1.193 645 A CA 0.565 52.492 52.037 -0.182 0.000 0.879 645 A CB -0.222 18.714 19.000 -0.107 0.000 0.911 645 A HN 0.477 nan 8.150 nan 0.000 0.492 646 G N -0.985 107.475 108.800 -0.567 0.000 2.598 646 G HA2 0.075 4.039 3.960 0.007 0.000 0.244 646 G HA3 0.075 4.039 3.960 0.007 0.000 0.244 646 G C 1.194 175.782 174.900 -0.520 0.000 1.302 646 G CA 0.544 45.098 45.100 -0.910 0.000 0.903 646 G HN 1.452 nan 8.290 nan 0.000 0.575 647 A N -1.042 121.670 122.820 -0.181 0.000 1.958 647 A HA 0.006 4.330 4.320 0.007 0.000 0.221 647 A C 2.791 180.573 177.584 0.329 0.000 1.178 647 A CA 3.268 55.469 52.037 0.273 0.000 0.642 647 A CB -0.921 18.251 19.000 0.287 0.000 0.816 647 A HN 1.673 nan 8.150 nan 0.000 0.453 648 S N -0.089 115.747 115.700 0.227 0.000 2.402 648 S HA -0.222 4.253 4.470 0.007 0.000 0.233 648 S C 1.759 176.406 174.600 0.078 0.000 1.030 648 S CA 1.603 59.912 58.200 0.181 0.000 1.003 648 S CB -0.793 62.507 63.200 0.166 0.000 0.813 648 S HN 0.839 nan 8.310 nan 0.000 0.477 649 I N -1.315 119.314 120.570 0.100 0.000 2.756 649 I HA -0.014 4.161 4.170 0.007 0.000 0.262 649 I C 1.616 177.816 176.117 0.137 0.000 1.225 649 I CA 1.264 62.624 61.300 0.101 0.000 1.472 649 I CB -0.333 37.741 38.000 0.124 0.000 1.094 649 I HN 0.169 nan 8.210 nan 0.000 0.454 650 L N 0.923 122.272 121.223 0.210 0.000 2.446 650 L HA 0.216 4.560 4.340 0.007 0.000 0.219 650 L C 1.027 177.846 176.870 -0.086 0.000 1.116 650 L CA 0.039 54.986 54.840 0.178 0.000 0.844 650 L CB -0.042 42.268 42.059 0.418 0.000 0.970 650 L HN 0.208 nan 8.230 nan 0.000 0.457 651 L N 0.661 121.757 121.223 -0.212 0.000 2.455 651 L HA -0.045 4.299 4.340 0.007 0.000 0.272 651 L C 1.437 178.053 176.870 -0.423 0.000 1.174 651 L CA -0.055 54.530 54.840 -0.425 0.000 0.869 651 L CB 0.850 42.631 42.059 -0.465 0.000 1.130 651 L HN 0.035 nan 8.230 nan 0.000 0.474 652 E N 2.572 122.379 120.200 -0.656 0.000 2.208 652 E HA -0.060 4.294 4.350 0.007 0.000 0.193 652 E C -0.546 175.692 176.600 -0.604 0.000 0.988 652 E CA 0.834 56.680 56.400 -0.924 0.000 0.828 652 E CB 0.283 28.842 29.700 -1.902 0.000 0.763 652 E HN 0.389 nan 8.360 nan 0.000 0.478 653 F N -0.078 119.567 119.950 -0.508 0.000 2.596 653 F HA 0.365 4.899 4.527 0.012 0.000 0.311 653 F C -1.493 174.202 175.800 -0.175 0.000 1.116 653 F CA -1.244 56.634 58.000 -0.203 0.000 0.957 653 F CB 1.131 40.141 39.000 0.017 0.000 1.250 653 F HN -0.304 nan 8.300 nan 0.000 0.444 654 I N 6.747 126.856 120.570 -0.770 0.000 2.301 654 I HA 0.290 4.465 4.170 0.007 0.000 0.292 654 I C -2.245 173.369 176.117 -0.838 0.000 1.046 654 I CA -2.360 58.603 61.300 -0.563 0.000 1.282 654 I CB 0.567 38.367 38.000 -0.333 0.000 1.409 654 I HN 0.395 nan 8.210 nan 0.000 0.484 655 P HA 0.161 nan 4.420 nan 0.000 0.271 655 P C -0.497 176.779 177.300 -0.041 0.000 1.218 655 P CA -0.308 62.762 63.100 -0.049 0.000 0.780 655 P CB 0.626 32.408 31.700 0.138 0.000 0.901 656 E N 2.245 122.472 120.200 0.046 0.000 2.105 656 E HA 0.195 4.549 4.350 0.007 0.000 0.285 656 E C -0.229 176.399 176.600 0.046 0.000 1.055 656 E CA -0.362 56.057 56.400 0.031 0.000 0.843 656 E CB 0.330 30.070 29.700 0.065 0.000 1.067 656 E HN 0.353 nan 8.360 nan 0.000 0.398 657 L N 3.203 124.429 121.223 0.005 0.000 2.418 657 L HA 0.230 4.574 4.340 0.007 0.000 0.265 657 L C -0.008 176.841 176.870 -0.034 0.000 1.143 657 L CA -0.779 54.042 54.840 -0.033 0.000 0.809 657 L CB 0.306 42.330 42.059 -0.058 0.000 1.124 657 L HN 0.364 nan 8.230 nan 0.000 0.456 658 L N 4.448 125.632 121.223 -0.064 0.000 2.255 658 L HA 0.454 4.799 4.340 0.007 0.000 0.289 658 L C -0.503 176.323 176.870 -0.074 0.000 1.046 658 L CA 0.452 55.274 54.840 -0.030 0.000 0.816 658 L CB 0.318 42.395 42.059 0.032 0.000 1.197 658 L HN 0.373 nan 8.230 nan 0.000 0.427 659 I N 7.187 127.718 120.570 -0.064 0.000 2.714 659 I HA 0.288 4.462 4.170 0.007 0.000 0.276 659 I C -2.186 173.884 176.117 -0.078 0.000 1.196 659 I CA -1.471 59.774 61.300 -0.091 0.000 1.068 659 I CB 1.148 39.088 38.000 -0.099 0.000 1.291 659 I HN 0.481 nan 8.210 nan 0.000 0.530 660 P HA 0.017 nan 4.420 nan 0.000 0.267 660 P C -0.180 177.072 177.300 -0.080 0.000 1.200 660 P CA -0.121 62.941 63.100 -0.063 0.000 0.772 660 P CB 0.707 32.371 31.700 -0.060 0.000 0.855 661 V N 4.187 124.071 119.914 -0.050 0.000 2.427 661 V HA 0.008 4.132 4.120 0.007 0.000 0.268 661 V C 0.434 176.501 176.094 -0.045 0.000 1.046 661 V CA -0.355 61.923 62.300 -0.037 0.000 0.970 661 V CB 0.781 32.601 31.823 -0.005 0.000 1.001 661 V HN 0.266 nan 8.190 nan 0.000 0.476 662 V N 5.680 125.538 119.914 -0.094 0.000 2.509 662 V HA 0.141 4.265 4.120 0.007 0.000 0.297 662 V C 1.377 177.477 176.094 0.010 0.000 1.014 662 V CA 0.362 62.555 62.300 -0.178 0.000 1.127 662 V CB 0.271 31.728 31.823 -0.609 0.000 0.925 662 V HN 0.996 nan 8.190 nan 0.000 0.480 663 G N 3.925 112.745 108.800 0.033 0.000 2.559 663 G HA2 0.395 4.359 3.960 0.007 0.000 0.235 663 G HA3 0.395 4.359 3.960 0.007 0.000 0.235 663 G C 0.401 175.485 174.900 0.306 0.000 1.266 663 G CA 0.136 45.317 45.100 0.135 0.000 0.847 663 G HN 1.241 nan 8.290 nan 0.000 0.583 664 A N 0.777 123.757 122.820 0.266 0.000 2.366 664 A HA 0.599 4.923 4.320 0.007 0.000 0.249 664 A C -0.511 177.370 177.584 0.494 0.000 1.084 664 A CA -0.156 52.070 52.037 0.314 0.000 0.794 664 A CB 0.256 19.358 19.000 0.169 0.000 1.034 664 A HN 0.451 nan 8.150 nan 0.000 0.491 665 F N -0.200 119.813 119.950 0.106 0.000 2.399 665 F HA 0.488 5.019 4.527 0.007 0.000 0.334 665 F C 0.181 175.988 175.800 0.012 0.000 1.097 665 F CA -0.964 57.074 58.000 0.065 0.000 1.076 665 F CB 1.447 40.483 39.000 0.059 0.000 1.162 665 F HN 0.277 nan 8.300 nan 0.000 0.495 666 L N 5.230 126.515 121.223 0.103 0.000 2.337 666 L HA 0.374 4.718 4.340 0.007 0.000 0.269 666 L C -0.812 176.046 176.870 -0.020 0.000 1.018 666 L CA -0.387 54.476 54.840 0.038 0.000 0.876 666 L CB 0.743 42.809 42.059 0.013 0.000 1.236 666 L HN 0.367 nan 8.230 nan 0.000 0.436 667 L N 3.212 124.401 121.223 -0.056 0.000 2.325 667 L HA 0.263 4.608 4.340 0.007 0.000 0.284 667 L C 0.565 177.389 176.870 -0.078 0.000 1.089 667 L CA -0.001 54.714 54.840 -0.209 0.000 0.836 667 L CB 0.695 42.353 42.059 -0.668 0.000 1.184 667 L HN 0.588 nan 8.230 nan 0.000 0.444 668 E N 2.640 122.806 120.200 -0.056 0.000 2.289 668 E HA 0.218 4.572 4.350 0.007 0.000 0.278 668 E C -0.260 176.222 176.600 -0.197 0.000 1.032 668 E CA -0.476 55.854 56.400 -0.116 0.000 0.854 668 E CB 1.046 30.650 29.700 -0.161 0.000 1.046 668 E HN 0.660 nan 8.360 nan 0.000 0.409 669 S N 3.329 118.898 115.700 -0.218 0.000 2.646 669 S HA 0.355 4.829 4.470 0.007 0.000 0.276 669 S C -0.854 173.350 174.600 -0.661 0.000 1.222 669 S CA -0.595 57.470 58.200 -0.225 0.000 1.014 669 S CB 0.580 63.700 63.200 -0.134 0.000 0.991 669 S HN 0.496 nan 8.310 nan 0.000 0.533 670 Y N 1.453 121.718 120.300 -0.059 0.000 2.609 670 Y HA 0.331 4.885 4.550 0.007 0.000 0.350 670 Y C 0.273 176.010 175.900 -0.270 0.000 1.050 670 Y CA -1.240 56.789 58.100 -0.119 0.000 1.290 670 Y CB 0.280 38.694 38.460 -0.076 0.000 1.094 670 Y HN 0.759 nan 8.280 nan 0.000 0.583 671 I N -0.395 119.986 120.570 -0.314 0.000 2.826 671 I HA -0.014 4.160 4.170 0.007 0.000 0.295 671 I C 0.201 176.106 176.117 -0.352 0.000 1.213 671 I CA 0.524 61.412 61.300 -0.687 0.000 1.436 671 I CB 0.597 38.316 38.000 -0.469 0.000 1.348 671 I HN 0.641 nan 8.210 nan 0.000 0.570 672 D N 1.948 122.177 120.400 -0.284 0.000 2.978 672 D HA -0.234 4.410 4.640 0.007 0.000 0.205 672 D C -0.098 176.253 176.300 0.084 0.000 1.093 672 D CA 1.226 55.337 54.000 0.185 0.000 1.006 672 D CB -1.168 39.718 40.800 0.143 0.000 1.116 672 D HN 0.829 nan 8.370 nan 0.000 0.419 673 N N 0.572 119.283 118.700 0.018 0.000 2.609 673 N HA 0.111 4.855 4.740 0.007 0.000 0.234 673 N C 0.987 176.525 175.510 0.047 0.000 1.001 673 N CA -0.143 52.917 53.050 0.015 0.000 0.926 673 N CB 1.051 39.530 38.487 -0.014 0.000 1.130 673 N HN 0.176 nan 8.380 nan 0.000 0.510 674 K N 3.022 123.457 120.400 0.058 0.000 2.097 674 K HA -0.089 4.236 4.320 0.007 0.000 0.205 674 K C 0.706 177.342 176.600 0.060 0.000 1.050 674 K CA 1.422 57.755 56.287 0.077 0.000 0.938 674 K CB 0.359 32.901 32.500 0.070 0.000 0.718 674 K HN 0.358 nan 8.250 nan 0.000 0.442 675 N N 0.691 119.399 118.700 0.014 0.000 2.092 675 N HA -0.077 4.667 4.740 0.007 0.000 0.189 675 N C 1.401 176.895 175.510 -0.026 0.000 1.040 675 N CA 1.201 54.251 53.050 -0.001 0.000 0.845 675 N CB -0.019 38.448 38.487 -0.032 0.000 1.017 675 N HN 0.091 nan 8.380 nan 0.000 0.426 676 K N 0.380 120.686 120.400 -0.157 0.000 2.160 676 K HA -0.085 4.239 4.320 0.007 0.000 0.206 676 K C 1.766 178.363 176.600 -0.005 0.000 1.047 676 K CA 0.899 56.983 56.287 -0.338 0.000 0.930 676 K CB -0.210 31.703 32.500 -0.978 0.000 0.720 676 K HN 0.262 nan 8.250 nan 0.000 0.450 677 I N 0.540 121.207 120.570 0.162 0.000 2.277 677 I HA -0.237 3.937 4.170 0.007 0.000 0.243 677 I C 2.207 178.495 176.117 0.285 0.000 1.094 677 I CA 0.974 62.475 61.300 0.334 0.000 1.393 677 I CB -0.184 37.960 38.000 0.239 0.000 1.078 677 I HN 0.086 nan 8.210 nan 0.000 0.417 678 I N 0.939 121.619 120.570 0.183 0.000 2.179 678 I HA -0.308 3.866 4.170 0.007 0.000 0.242 678 I C 2.505 178.708 176.117 0.144 0.000 1.088 678 I CA 1.554 62.950 61.300 0.159 0.000 1.357 678 I CB -0.427 37.650 38.000 0.128 0.000 1.051 678 I HN 0.171 nan 8.210 nan 0.000 0.409 679 K N 0.270 120.746 120.400 0.126 0.000 2.044 679 K HA -0.181 4.144 4.320 0.007 0.000 0.210 679 K C 2.106 178.785 176.600 0.133 0.000 1.049 679 K CA 2.077 58.436 56.287 0.119 0.000 0.927 679 K CB -0.474 32.102 32.500 0.127 0.000 0.713 679 K HN 0.329 nan 8.250 nan 0.000 0.443 680 T N 1.920 116.583 114.554 0.182 0.000 2.652 680 T HA -0.151 4.203 4.350 0.007 0.000 0.267 680 T C 1.953 176.703 174.700 0.084 0.000 1.039 680 T CA 1.462 63.659 62.100 0.162 0.000 1.153 680 T CB -0.302 68.715 68.868 0.248 0.000 0.863 680 T HN 0.148 nan 8.240 nan 0.000 0.428 681 I N 1.418 122.054 120.570 0.111 0.000 2.118 681 I HA -0.246 3.928 4.170 0.007 0.000 0.241 681 I C 2.464 178.625 176.117 0.073 0.000 1.070 681 I CA 1.488 62.836 61.300 0.081 0.000 1.327 681 I CB -0.533 37.550 38.000 0.138 0.000 1.034 681 I HN 0.252 nan 8.210 nan 0.000 0.405 682 D N 0.896 121.344 120.400 0.080 0.000 2.092 682 D HA -0.184 4.460 4.640 0.007 0.000 0.193 682 D C 1.840 178.188 176.300 0.080 0.000 0.994 682 D CA 1.628 55.669 54.000 0.069 0.000 0.828 682 D CB -0.641 40.199 40.800 0.068 0.000 0.963 682 D HN 0.507 nan 8.370 nan 0.000 0.450 683 N N 0.884 119.633 118.700 0.081 0.000 2.094 683 N HA -0.167 4.577 4.740 0.007 0.000 0.191 683 N C 1.911 177.492 175.510 0.119 0.000 1.023 683 N CA 1.006 54.103 53.050 0.079 0.000 0.857 683 N CB -0.059 38.459 38.487 0.050 0.000 1.013 683 N HN 0.090 nan 8.380 nan 0.000 0.426 684 A N 1.276 124.179 122.820 0.139 0.000 1.972 684 A HA -0.075 4.250 4.320 0.007 0.000 0.219 684 A C 2.158 179.928 177.584 0.310 0.000 1.169 684 A CA 0.948 53.156 52.037 0.286 0.000 0.635 684 A CB -0.512 18.632 19.000 0.240 0.000 0.810 684 A HN 0.176 nan 8.150 nan 0.000 0.446 685 L N -0.269 121.054 121.223 0.166 0.000 2.072 685 L HA -0.141 4.204 4.340 0.007 0.000 0.205 685 L C 3.051 180.011 176.870 0.150 0.000 1.079 685 L CA 1.811 56.724 54.840 0.121 0.000 0.752 685 L CB -0.961 41.133 42.059 0.059 0.000 0.906 685 L HN 0.642 nan 8.230 nan 0.000 0.436 686 T N -2.470 112.172 114.554 0.146 0.000 2.777 686 T HA -0.213 4.142 4.350 0.007 0.000 0.266 686 T C 1.860 176.691 174.700 0.218 0.000 1.040 686 T CA 1.141 63.332 62.100 0.153 0.000 1.141 686 T CB -0.205 68.737 68.868 0.124 0.000 0.868 686 T HN -0.022 nan 8.240 nan 0.000 0.444 687 K N 1.689 122.236 120.400 0.246 0.000 2.103 687 K HA -0.035 4.290 4.320 0.007 0.000 0.207 687 K C 2.525 179.376 176.600 0.419 0.000 1.048 687 K CA 1.010 57.465 56.287 0.280 0.000 0.930 687 K CB -0.496 32.139 32.500 0.226 0.000 0.716 687 K HN 0.293 nan 8.250 nan 0.000 0.444 688 R N 0.816 121.599 120.500 0.472 0.000 2.091 688 R HA -0.130 4.214 4.340 0.007 0.000 0.238 688 R C 1.279 177.836 176.300 0.427 0.000 1.136 688 R CA 1.834 58.224 56.100 0.484 0.000 0.959 688 R CB -0.637 29.858 30.300 0.324 0.000 0.856 688 R HN 0.342 nan 8.270 nan 0.000 0.437 689 N N 1.055 119.927 118.700 0.286 0.000 2.188 689 N HA -0.176 4.568 4.740 0.007 0.000 0.184 689 N C 1.667 177.380 175.510 0.339 0.000 1.018 689 N CA 1.127 54.325 53.050 0.247 0.000 0.858 689 N CB -0.256 38.330 38.487 0.165 0.000 0.989 689 N HN 0.487 nan 8.380 nan 0.000 0.426 690 E N 1.224 121.608 120.200 0.305 0.000 2.110 690 E HA -0.163 4.192 4.350 0.007 0.000 0.193 690 E C 1.308 177.956 176.600 0.080 0.000 0.988 690 E CA 0.943 57.427 56.400 0.140 0.000 0.804 690 E CB 0.249 29.898 29.700 -0.086 0.000 0.745 690 E HN 0.083 nan 8.360 nan 0.000 0.458 691 K N 0.068 120.543 120.400 0.126 0.000 2.057 691 K HA -0.169 4.156 4.320 0.007 0.000 0.207 691 K C 1.769 178.345 176.600 -0.039 0.000 1.049 691 K CA 1.146 57.419 56.287 -0.022 0.000 0.931 691 K CB -0.647 31.749 32.500 -0.173 0.000 0.714 691 K HN 0.312 nan 8.250 nan 0.000 0.440 692 W N 1.456 122.689 121.300 -0.111 0.000 2.355 692 W HA -0.114 4.551 4.660 0.008 0.000 0.309 692 W C 2.858 179.234 176.519 -0.238 0.000 1.206 692 W CA 1.692 58.897 57.345 -0.234 0.000 1.284 692 W CB -0.924 28.452 29.460 -0.140 0.000 1.145 692 W HN 0.071 nan 8.180 nan 0.000 0.502 693 S N -0.009 115.873 115.700 0.303 0.000 2.356 693 S HA -0.206 4.268 4.470 0.007 0.000 0.223 693 S C 1.542 176.345 174.600 0.339 0.000 1.032 693 S CA 2.001 60.481 58.200 0.467 0.000 1.005 693 S CB -0.556 62.979 63.200 0.558 0.000 0.867 693 S HN 0.109 nan 8.310 nan 0.000 0.449 694 D N 0.693 121.179 120.400 0.144 0.000 2.149 694 D HA -0.094 4.550 4.640 0.007 0.000 0.198 694 D C 1.815 178.099 176.300 -0.026 0.000 0.990 694 D CA 1.092 55.124 54.000 0.053 0.000 0.839 694 D CB -0.374 40.406 40.800 -0.033 0.000 0.948 694 D HN 0.396 nan 8.370 nan 0.000 0.460 695 M N -0.704 118.826 119.600 -0.117 0.000 2.099 695 M HA -0.129 4.356 4.480 0.007 0.000 0.262 695 M C 1.771 177.992 176.300 -0.131 0.000 1.067 695 M CA 1.493 56.674 55.300 -0.198 0.000 1.124 695 M CB -0.690 31.684 32.600 -0.376 0.000 1.353 695 M HN 0.126 nan 8.290 nan 0.000 0.410 696 Y N -0.676 119.549 120.300 -0.125 0.000 2.207 696 Y HA -0.172 4.382 4.550 0.007 0.000 0.287 696 Y C 2.320 177.892 175.900 -0.547 0.000 1.156 696 Y CA 0.576 58.526 58.100 -0.250 0.000 1.182 696 Y CB -0.719 37.788 38.460 0.078 0.000 0.979 696 Y HN 0.447 nan 8.280 nan 0.000 0.521 697 G N -0.046 108.500 108.800 -0.424 0.000 2.408 697 G HA2 -0.266 3.698 3.960 0.007 0.000 0.217 697 G HA3 -0.266 3.698 3.960 0.007 0.000 0.217 697 G C 1.501 176.314 174.900 -0.145 0.000 1.150 697 G CA 0.840 45.680 45.100 -0.433 0.000 0.776 697 G HN 0.308 nan 8.290 nan 0.000 0.542 698 L N 0.708 121.872 121.223 -0.099 0.000 2.093 698 L HA 0.052 4.396 4.340 0.007 0.000 0.208 698 L C 2.432 179.210 176.870 -0.153 0.000 1.085 698 L CA 1.243 56.035 54.840 -0.081 0.000 0.755 698 L CB -0.308 41.702 42.059 -0.083 0.000 0.904 698 L HN 0.082 nan 8.230 nan 0.000 0.435 699 I N -1.044 119.428 120.570 -0.164 0.000 2.202 699 I HA -0.199 3.975 4.170 0.007 0.000 0.242 699 I C 2.562 178.625 176.117 -0.089 0.000 1.091 699 I CA 1.164 62.360 61.300 -0.174 0.000 1.368 699 I CB -1.235 36.625 38.000 -0.232 0.000 1.058 699 I HN 0.100 nan 8.210 nan 0.000 0.410 700 V N 1.569 121.438 119.914 -0.075 0.000 2.287 700 V HA -0.285 3.840 4.120 0.007 0.000 0.248 700 V C 2.875 179.085 176.094 0.193 0.000 1.053 700 V CA 1.896 64.281 62.300 0.142 0.000 1.027 700 V CB -1.205 30.693 31.823 0.125 0.000 0.646 700 V HN 0.461 nan 8.190 nan 0.000 0.447 701 A N -0.781 122.095 122.820 0.094 0.000 1.908 701 A HA -0.314 4.011 4.320 0.007 0.000 0.218 701 A C 2.184 179.825 177.584 0.094 0.000 1.181 701 A CA 2.170 54.293 52.037 0.143 0.000 0.627 701 A CB -0.483 18.644 19.000 0.212 0.000 0.818 701 A HN 0.659 nan 8.150 nan 0.000 0.445 702 Q N -2.304 117.401 119.800 -0.158 0.000 2.123 702 Q HA -0.189 4.155 4.340 0.007 0.000 0.199 702 Q C 1.939 177.952 176.000 0.022 0.000 0.966 702 Q CA 1.426 57.043 55.803 -0.311 0.000 0.845 702 Q CB -0.276 28.104 28.738 -0.597 0.000 0.907 702 Q HN 0.901 nan 8.270 nan 0.000 0.439 703 W N 1.619 122.873 121.300 -0.076 0.000 2.335 703 W HA -0.170 4.491 4.660 0.001 0.000 0.311 703 W C 1.440 177.986 176.519 0.044 0.000 1.213 703 W CA 1.290 58.642 57.345 0.010 0.000 1.274 703 W CB -0.362 29.104 29.460 0.010 0.000 1.148 703 W HN 0.013 nan 8.180 nan 0.000 0.498 704 L N 0.896 122.006 121.223 -0.189 0.000 2.141 704 L HA -0.169 4.175 4.340 0.007 0.000 0.209 704 L C 2.551 179.253 176.870 -0.279 0.000 1.094 704 L CA 1.773 56.372 54.840 -0.401 0.000 0.763 704 L CB -0.959 40.983 42.059 -0.194 0.000 0.908 704 L HN 0.159 nan 8.230 nan 0.000 0.437 705 S N -3.012 112.620 115.700 -0.112 0.000 2.540 705 S HA 0.008 4.482 4.470 0.007 0.000 0.218 705 S C 1.428 176.079 174.600 0.085 0.000 0.977 705 S CA 0.381 58.534 58.200 -0.078 0.000 0.918 705 S CB 0.077 63.311 63.200 0.057 0.000 0.806 705 S HN 0.500 nan 8.310 nan 0.000 0.496 706 T N -2.613 111.976 114.554 0.058 0.000 2.980 706 T HA 0.343 4.697 4.350 0.007 0.000 0.252 706 T C 1.263 175.973 174.700 0.017 0.000 0.962 706 T CA 0.479 62.631 62.100 0.088 0.000 0.932 706 T CB -0.003 68.947 68.868 0.138 0.000 1.188 706 T HN 0.135 nan 8.240 nan 0.000 0.500 707 V N 1.645 121.534 119.914 -0.043 0.000 2.840 707 V HA 0.252 4.377 4.120 0.007 0.000 0.234 707 V C 2.475 178.508 176.094 -0.102 0.000 1.159 707 V CA 1.001 63.239 62.300 -0.102 0.000 1.194 707 V CB -0.505 31.379 31.823 0.100 0.000 0.971 707 V HN 0.379 nan 8.190 nan 0.000 0.494 708 N N 1.031 119.586 118.700 -0.241 0.000 2.289 708 N HA -0.171 4.573 4.740 0.007 0.000 0.184 708 N C 1.797 177.302 175.510 -0.008 0.000 1.016 708 N CA 2.000 54.943 53.050 -0.178 0.000 0.872 708 N CB -0.108 37.965 38.487 -0.690 0.000 0.973 708 N HN 0.682 nan 8.380 nan 0.000 0.433 709 T N -2.216 112.315 114.554 -0.038 0.000 2.777 709 T HA -0.119 4.235 4.350 0.007 0.000 0.266 709 T C 1.736 176.565 174.700 0.215 0.000 1.040 709 T CA 0.973 63.125 62.100 0.087 0.000 1.141 709 T CB -0.467 68.467 68.868 0.109 0.000 0.868 709 T HN 0.246 nan 8.240 nan 0.000 0.444 710 Q N 0.181 120.060 119.800 0.133 0.000 2.084 710 Q HA 0.013 4.357 4.340 0.007 0.000 0.202 710 Q C 2.072 178.130 176.000 0.096 0.000 0.978 710 Q CA 1.427 57.344 55.803 0.190 0.000 0.844 710 Q CB -0.409 28.251 28.738 -0.130 0.000 0.898 710 Q HN 0.595 nan 8.270 nan 0.000 0.426 711 F N -0.824 119.209 119.950 0.139 0.000 2.234 711 F HA -0.225 4.302 4.527 -0.001 0.000 0.299 711 F C 2.214 178.081 175.800 0.113 0.000 1.087 711 F CA 0.766 58.828 58.000 0.103 0.000 1.340 711 F CB -0.137 38.904 39.000 0.069 0.000 1.031 711 F HN 0.151 nan 8.300 nan 0.000 0.500 712 Y N 1.038 121.444 120.300 0.177 0.000 2.145 712 Y HA -0.245 4.309 4.550 0.006 0.000 0.286 712 Y C 2.429 178.362 175.900 0.055 0.000 1.145 712 Y CA 2.066 60.225 58.100 0.098 0.000 1.148 712 Y CB -0.995 37.500 38.460 0.057 0.000 0.981 712 Y HN -0.106 nan 8.280 nan 0.000 0.507 713 T N 1.358 115.902 114.554 -0.018 0.000 2.759 713 T HA -0.186 4.168 4.350 0.007 0.000 0.269 713 T C 1.972 176.538 174.700 -0.222 0.000 1.042 713 T CA 1.974 63.923 62.100 -0.251 0.000 1.140 713 T CB -0.411 68.171 68.868 -0.477 0.000 0.864 713 T HN 0.385 nan 8.240 nan 0.000 0.455 714 I N 0.411 120.958 120.570 -0.038 0.000 2.315 714 I HA -0.132 4.042 4.170 0.007 0.000 0.248 714 I C 2.559 178.671 176.117 -0.009 0.000 1.117 714 I CA 1.177 62.487 61.300 0.017 0.000 1.404 714 I CB -0.232 37.863 38.000 0.159 0.000 1.071 714 I HN 0.178 nan 8.210 nan 0.000 0.419 715 K N 0.488 120.878 120.400 -0.017 0.000 2.026 715 K HA -0.175 4.149 4.320 0.007 0.000 0.208 715 K C 2.049 178.601 176.600 -0.081 0.000 1.048 715 K CA 1.175 57.447 56.287 -0.025 0.000 0.929 715 K CB -0.101 32.385 32.500 -0.023 0.000 0.713 715 K HN 0.225 nan 8.250 nan 0.000 0.439 716 E N 0.059 120.116 120.200 -0.240 0.000 2.110 716 E HA -0.127 4.228 4.350 0.007 0.000 0.193 716 E C 2.162 178.727 176.600 -0.060 0.000 0.988 716 E CA 1.181 57.461 56.400 -0.201 0.000 0.804 716 E CB -0.390 29.085 29.700 -0.375 0.000 0.745 716 E HN 0.457 nan 8.360 nan 0.000 0.458 717 G N 0.976 109.721 108.800 -0.091 0.000 2.418 717 G HA2 -0.237 3.727 3.960 0.007 0.000 0.217 717 G HA3 -0.237 3.727 3.960 0.007 0.000 0.217 717 G C 1.528 176.417 174.900 -0.019 0.000 1.158 717 G CA 0.775 45.844 45.100 -0.052 0.000 0.771 717 G HN 0.121 nan 8.290 nan 0.000 0.545 718 M N -0.661 118.935 119.600 -0.007 0.000 2.229 718 M HA 0.077 4.561 4.480 0.007 0.000 0.264 718 M C 2.245 178.580 176.300 0.058 0.000 1.063 718 M CA 0.457 55.763 55.300 0.009 0.000 1.114 718 M CB -1.080 31.539 32.600 0.031 0.000 1.387 718 M HN 0.411 nan 8.290 nan 0.000 0.420 719 Y N 1.473 121.749 120.300 -0.041 0.000 2.145 719 Y HA -0.205 4.348 4.550 0.006 0.000 0.286 719 Y C 2.236 178.079 175.900 -0.095 0.000 1.145 719 Y CA 1.859 59.935 58.100 -0.039 0.000 1.148 719 Y CB -0.159 38.267 38.460 -0.055 0.000 0.981 719 Y HN 0.144 nan 8.280 nan 0.000 0.507 720 K N -0.081 120.242 120.400 -0.128 0.000 2.057 720 K HA -0.148 4.176 4.320 0.007 0.000 0.207 720 K C 2.372 178.695 176.600 -0.461 0.000 1.049 720 K CA 1.117 57.162 56.287 -0.404 0.000 0.931 720 K CB -0.431 31.899 32.500 -0.283 0.000 0.714 720 K HN 0.397 nan 8.250 nan 0.000 0.440 721 A N 1.604 124.361 122.820 -0.105 0.000 1.883 721 A HA -0.172 4.153 4.320 0.007 0.000 0.217 721 A C 2.158 179.849 177.584 0.178 0.000 1.186 721 A CA 1.407 53.538 52.037 0.156 0.000 0.624 721 A CB -0.771 18.297 19.000 0.113 0.000 0.822 721 A HN 0.171 nan 8.150 nan 0.000 0.444 722 L N -0.280 120.993 121.223 0.083 0.000 2.083 722 L HA -0.211 4.133 4.340 0.007 0.000 0.209 722 L C 2.434 179.307 176.870 0.005 0.000 1.083 722 L CA 1.255 56.151 54.840 0.093 0.000 0.752 722 L CB -0.593 41.521 42.059 0.092 0.000 0.899 722 L HN 0.449 nan 8.230 nan 0.000 0.433 723 N N -0.612 117.949 118.700 -0.232 0.000 2.142 723 N HA -0.190 4.555 4.740 0.007 0.000 0.186 723 N C 1.927 177.374 175.510 -0.106 0.000 1.023 723 N CA 1.394 54.265 53.050 -0.297 0.000 0.852 723 N CB -0.217 37.938 38.487 -0.553 0.000 0.998 723 N HN 0.426 nan 8.380 nan 0.000 0.424 724 Y N 1.538 121.809 120.300 -0.048 0.000 2.207 724 Y HA -0.173 4.380 4.550 0.005 0.000 0.287 724 Y C 2.623 178.542 175.900 0.032 0.000 1.156 724 Y CA 0.503 58.604 58.100 0.001 0.000 1.182 724 Y CB 0.138 38.625 38.460 0.044 0.000 0.979 724 Y HN 0.064 nan 8.280 nan 0.000 0.521 725 Q N -0.031 119.869 119.800 0.167 0.000 2.084 725 Q HA -0.163 4.181 4.340 0.007 0.000 0.202 725 Q C 2.566 178.713 176.000 0.246 0.000 0.978 725 Q CA 1.388 57.251 55.803 0.100 0.000 0.844 725 Q CB -0.692 27.918 28.738 -0.213 0.000 0.898 725 Q HN 0.524 nan 8.270 nan 0.000 0.426 726 A N 0.861 123.786 122.820 0.175 0.000 1.898 726 A HA -0.213 4.112 4.320 0.007 0.000 0.216 726 A C 2.117 179.725 177.584 0.039 0.000 1.181 726 A CA 1.458 53.438 52.037 -0.094 0.000 0.620 726 A CB -0.484 18.413 19.000 -0.172 0.000 0.819 726 A HN 0.385 nan 8.150 nan 0.000 0.442 727 Q N -0.548 119.293 119.800 0.067 0.000 2.084 727 Q HA -0.123 4.222 4.340 0.007 0.000 0.202 727 Q C 2.428 178.591 176.000 0.270 0.000 0.978 727 Q CA 1.485 57.380 55.803 0.152 0.000 0.844 727 Q CB -0.413 28.407 28.738 0.137 0.000 0.898 727 Q HN 0.689 nan 8.270 nan 0.000 0.426 728 A N 0.800 123.784 122.820 0.274 0.000 1.877 728 A HA -0.192 4.133 4.320 0.007 0.000 0.216 728 A C 2.038 179.718 177.584 0.160 0.000 1.186 728 A CA 1.329 53.515 52.037 0.249 0.000 0.620 728 A CB -0.699 18.417 19.000 0.193 0.000 0.822 728 A HN 0.365 nan 8.150 nan 0.000 0.443 729 L N 0.064 121.385 121.223 0.163 0.000 2.083 729 L HA -0.138 4.206 4.340 0.007 0.000 0.209 729 L C 2.239 179.199 176.870 0.150 0.000 1.083 729 L CA 2.787 57.710 54.840 0.139 0.000 0.752 729 L CB -0.728 41.394 42.059 0.105 0.000 0.899 729 L HN 0.561 nan 8.230 nan 0.000 0.433 730 E N -0.349 119.957 120.200 0.176 0.000 2.077 730 E HA -0.299 4.055 4.350 0.007 0.000 0.193 730 E C 2.110 178.876 176.600 0.276 0.000 0.989 730 E CA 1.494 58.043 56.400 0.248 0.000 0.800 730 E CB -0.177 29.730 29.700 0.345 0.000 0.746 730 E HN 0.577 nan 8.360 nan 0.000 0.452 731 E N 0.243 120.584 120.200 0.235 0.000 2.077 731 E HA -0.152 4.203 4.350 0.007 0.000 0.193 731 E C 1.914 178.614 176.600 0.166 0.000 0.989 731 E CA 1.659 58.165 56.400 0.177 0.000 0.800 731 E CB -0.272 29.447 29.700 0.030 0.000 0.746 731 E HN 0.458 nan 8.360 nan 0.000 0.452 732 I N 0.158 120.821 120.570 0.156 0.000 2.202 732 I HA -0.249 3.925 4.170 0.007 0.000 0.242 732 I C 2.298 178.644 176.117 0.382 0.000 1.091 732 I CA 0.995 62.424 61.300 0.215 0.000 1.368 732 I CB -0.293 37.828 38.000 0.203 0.000 1.058 732 I HN 0.168 nan 8.210 nan 0.000 0.410 733 I N 0.791 121.624 120.570 0.439 0.000 2.163 733 I HA -0.335 3.839 4.170 0.007 0.000 0.243 733 I C 2.553 179.045 176.117 0.625 0.000 1.085 733 I CA 1.623 63.274 61.300 0.586 0.000 1.347 733 I CB -0.435 37.777 38.000 0.352 0.000 1.044 733 I HN 0.194 nan 8.210 nan 0.000 0.408 734 K N -0.114 120.605 120.400 0.530 0.000 2.032 734 K HA -0.257 4.067 4.320 0.007 0.000 0.209 734 K C 2.244 179.046 176.600 0.337 0.000 1.048 734 K CA 1.906 58.475 56.287 0.470 0.000 0.927 734 K CB -0.488 32.190 32.500 0.296 0.000 0.712 734 K HN 0.223 nan 8.250 nan 0.000 0.441 735 Y N 2.053 122.443 120.300 0.150 0.000 2.097 735 Y HA -0.246 4.309 4.550 0.008 0.000 0.282 735 Y C 2.211 178.077 175.900 -0.057 0.000 1.152 735 Y CA 1.525 59.640 58.100 0.025 0.000 1.136 735 Y CB 0.043 38.491 38.460 -0.021 0.000 0.975 735 Y HN -0.055 nan 8.280 nan 0.000 0.498 736 R N -0.801 119.699 120.500 -0.002 0.000 2.105 736 R HA -0.230 4.114 4.340 0.007 0.000 0.239 736 R C 2.144 178.034 176.300 -0.684 0.000 1.135 736 R CA 1.761 57.675 56.100 -0.309 0.000 0.967 736 R CB -1.679 28.609 30.300 -0.020 0.000 0.861 736 R HN 0.527 nan 8.270 nan 0.000 0.442 737 Y N 2.194 122.250 120.300 -0.407 0.000 2.242 737 Y HA -0.071 4.483 4.550 0.007 0.000 0.291 737 Y C 1.511 177.260 175.900 -0.253 0.000 1.137 737 Y CA 1.229 59.130 58.100 -0.333 0.000 1.181 737 Y CB -0.255 38.359 38.460 0.256 0.000 0.989 737 Y HN 0.005 nan 8.280 nan 0.000 0.527 738 N N 0.191 118.715 118.700 -0.294 0.000 2.521 738 N HA -0.056 4.688 4.740 0.007 0.000 0.188 738 N C 1.492 176.718 175.510 -0.474 0.000 1.146 738 N CA 0.513 53.343 53.050 -0.366 0.000 0.893 738 N CB 0.030 38.399 38.487 -0.198 0.000 0.975 738 N HN 0.376 nan 8.380 nan 0.000 0.451 739 I N 0.215 120.376 120.570 -0.681 0.000 2.617 739 I HA -0.076 4.098 4.170 0.007 0.000 0.256 739 I C 0.546 176.355 176.117 -0.512 0.000 1.167 739 I CA 0.365 61.270 61.300 -0.658 0.000 1.469 739 I CB -0.638 36.883 38.000 -0.798 0.000 1.098 739 I HN 0.017 nan 8.210 nan 0.000 0.436 740 Y N 1.322 121.395 120.300 -0.380 0.000 2.330 740 Y HA 0.089 4.644 4.550 0.007 0.000 0.341 740 Y C 1.594 177.325 175.900 -0.282 0.000 1.278 740 Y CA -0.669 57.237 58.100 -0.322 0.000 1.453 740 Y CB 0.473 38.710 38.460 -0.371 0.000 1.342 740 Y HN 0.010 nan 8.280 nan 0.000 0.590 741 S N 0.058 115.745 115.700 -0.021 0.000 2.645 741 S HA 0.104 4.578 4.470 0.007 0.000 0.266 741 S C 0.789 175.336 174.600 -0.089 0.000 1.258 741 S CA -0.806 57.353 58.200 -0.069 0.000 0.990 741 S CB 1.119 64.289 63.200 -0.050 0.000 0.967 741 S HN 0.679 nan 8.310 nan 0.000 0.556 742 E N 0.746 120.898 120.200 -0.080 0.000 2.110 742 E HA -0.141 4.213 4.350 0.007 0.000 0.193 742 E C 1.806 178.376 176.600 -0.050 0.000 0.988 742 E CA 1.311 57.669 56.400 -0.070 0.000 0.804 742 E CB -0.404 29.267 29.700 -0.049 0.000 0.745 742 E HN 0.749 nan 8.360 nan 0.000 0.458 743 K N 1.748 122.122 120.400 -0.044 0.000 2.057 743 K HA -0.164 4.160 4.320 0.007 0.000 0.207 743 K C 1.771 178.343 176.600 -0.046 0.000 1.049 743 K CA 1.645 57.911 56.287 -0.036 0.000 0.931 743 K CB -0.139 32.341 32.500 -0.034 0.000 0.714 743 K HN 0.095 nan 8.250 nan 0.000 0.440 744 E N 0.252 120.410 120.200 -0.070 0.000 2.072 744 E HA -0.125 4.229 4.350 0.007 0.000 0.191 744 E C 2.001 178.540 176.600 -0.102 0.000 0.985 744 E CA 1.151 57.482 56.400 -0.115 0.000 0.801 744 E CB -0.052 29.544 29.700 -0.174 0.000 0.750 744 E HN 0.295 nan 8.360 nan 0.000 0.452 745 K N 0.632 120.979 120.400 -0.088 0.000 2.063 745 K HA -0.113 4.211 4.320 0.007 0.000 0.208 745 K C 2.337 179.001 176.600 0.106 0.000 1.048 745 K CA 1.353 57.633 56.287 -0.010 0.000 0.928 745 K CB -0.121 32.283 32.500 -0.160 0.000 0.713 745 K HN -0.057 nan 8.250 nan 0.000 0.442 746 S N 1.273 117.000 115.700 0.045 0.000 2.419 746 S HA -0.081 4.394 4.470 0.007 0.000 0.235 746 S C 1.280 175.910 174.600 0.051 0.000 1.019 746 S CA 1.048 59.281 58.200 0.054 0.000 0.982 746 S CB -0.137 63.077 63.200 0.023 0.000 0.789 746 S HN 0.305 nan 8.310 nan 0.000 0.490 747 N N 0.524 119.241 118.700 0.029 0.000 2.280 747 N HA 0.259 5.003 4.740 0.007 0.000 0.192 747 N C -0.254 175.278 175.510 0.036 0.000 1.109 747 N CA 0.144 53.206 53.050 0.019 0.000 0.855 747 N CB 0.360 38.840 38.487 -0.011 0.000 0.974 747 N HN 0.383 nan 8.380 nan 0.000 0.482 748 I N 1.589 122.211 120.570 0.087 0.000 2.325 748 I HA 0.069 4.243 4.170 0.007 0.000 0.291 748 I C 0.235 176.432 176.117 0.132 0.000 1.019 748 I CA -0.602 60.782 61.300 0.140 0.000 1.302 748 I CB 0.743 38.916 38.000 0.288 0.000 1.401 748 I HN -0.167 nan 8.210 nan 0.000 0.485 749 N N 8.413 127.158 118.700 0.075 0.000 2.482 749 N HA 0.315 5.059 4.740 0.007 0.000 0.242 749 N C -1.158 174.345 175.510 -0.011 0.000 1.100 749 N CA -0.019 53.050 53.050 0.032 0.000 0.946 749 N CB 0.286 38.778 38.487 0.010 0.000 1.227 749 N HN 0.321 nan 8.380 nan 0.000 0.508 750 I N 1.453 122.002 120.570 -0.036 0.000 2.686 750 I HA 0.287 4.461 4.170 0.007 0.000 0.295 750 I C -0.818 175.213 176.117 -0.143 0.000 1.114 750 I CA -0.657 60.545 61.300 -0.163 0.000 1.038 750 I CB 2.122 39.941 38.000 -0.302 0.000 1.238 750 I HN 0.423 nan 8.210 nan 0.000 0.420 751 D N 4.967 125.248 120.400 -0.199 0.000 2.408 751 D HA 0.259 4.903 4.640 0.007 0.000 0.261 751 D C 0.643 176.844 176.300 -0.165 0.000 1.190 751 D CA -0.396 53.540 54.000 -0.107 0.000 0.910 751 D CB 0.673 41.424 40.800 -0.082 0.000 1.097 751 D HN 0.231 nan 8.370 nan 0.000 0.522 752 F N 1.689 121.558 119.950 -0.135 0.000 2.236 752 F HA -0.166 4.365 4.527 0.007 0.000 0.302 752 F C 2.170 177.852 175.800 -0.197 0.000 1.073 752 F CA 0.963 58.867 58.000 -0.159 0.000 1.336 752 F CB 0.004 38.926 39.000 -0.129 0.000 1.040 752 F HN 0.356 nan 8.300 nan 0.000 0.507 753 N N -0.399 118.303 118.700 0.002 0.000 2.300 753 N HA -0.178 4.567 4.740 0.007 0.000 0.179 753 N C 1.690 177.129 175.510 -0.118 0.000 1.016 753 N CA 1.172 54.176 53.050 -0.076 0.000 0.876 753 N CB -0.446 38.021 38.487 -0.033 0.000 0.979 753 N HN 0.393 nan 8.380 nan 0.000 0.432 754 D N 1.196 121.529 120.400 -0.111 0.000 2.183 754 D HA -0.005 4.640 4.640 0.007 0.000 0.203 754 D C 1.996 178.203 176.300 -0.156 0.000 0.969 754 D CA 0.264 54.196 54.000 -0.114 0.000 0.842 754 D CB 0.321 41.059 40.800 -0.103 0.000 0.957 754 D HN 0.183 nan 8.370 nan 0.000 0.484 755 I N 1.074 121.516 120.570 -0.215 0.000 2.142 755 I HA -0.272 3.902 4.170 0.007 0.000 0.240 755 I C 2.122 178.082 176.117 -0.261 0.000 1.078 755 I CA 0.813 61.961 61.300 -0.255 0.000 1.343 755 I CB -0.328 37.468 38.000 -0.339 0.000 1.046 755 I HN -0.037 nan 8.210 nan 0.000 0.405 756 N N 0.299 118.768 118.700 -0.385 0.000 2.223 756 N HA -0.177 4.567 4.740 0.007 0.000 0.185 756 N C 1.950 177.300 175.510 -0.268 0.000 1.016 756 N CA 1.464 54.111 53.050 -0.672 0.000 0.863 756 N CB -0.442 37.235 38.487 -1.350 0.000 0.983 756 N HN 0.251 nan 8.380 nan 0.000 0.429 757 S N 0.870 116.468 115.700 -0.169 0.000 2.348 757 S HA -0.065 4.410 4.470 0.007 0.000 0.221 757 S C 1.742 176.338 174.600 -0.007 0.000 1.033 757 S CA 1.101 59.272 58.200 -0.049 0.000 1.010 757 S CB 0.035 63.206 63.200 -0.049 0.000 0.891 757 S HN 0.232 nan 8.310 nan 0.000 0.442 758 K N 0.489 120.864 120.400 -0.041 0.000 2.097 758 K HA 0.011 4.335 4.320 0.007 0.000 0.206 758 K C 2.149 178.768 176.600 0.032 0.000 1.049 758 K CA 1.378 57.657 56.287 -0.012 0.000 0.933 758 K CB -0.341 32.130 32.500 -0.048 0.000 0.717 758 K HN 0.392 nan 8.250 nan 0.000 0.442 759 L N 1.291 122.509 121.223 -0.008 0.000 2.027 759 L HA -0.204 4.140 4.340 0.007 0.000 0.206 759 L C 2.523 179.486 176.870 0.156 0.000 1.074 759 L CA 1.056 55.888 54.840 -0.014 0.000 0.745 759 L CB -0.686 41.272 42.059 -0.169 0.000 0.898 759 L HN 0.372 nan 8.230 nan 0.000 0.433 760 N N 0.514 119.339 118.700 0.209 0.000 2.120 760 N HA -0.265 4.480 4.740 0.007 0.000 0.188 760 N C 1.861 177.475 175.510 0.172 0.000 1.024 760 N CA 1.779 54.965 53.050 0.227 0.000 0.852 760 N CB 0.114 38.765 38.487 0.274 0.000 1.003 760 N HN 0.254 nan 8.380 nan 0.000 0.424 761 E N 0.303 120.584 120.200 0.135 0.000 2.077 761 E HA -0.071 4.283 4.350 0.007 0.000 0.193 761 E C 1.895 178.573 176.600 0.129 0.000 0.989 761 E CA 1.758 58.226 56.400 0.112 0.000 0.800 761 E CB -1.012 28.734 29.700 0.076 0.000 0.746 761 E HN 0.459 nan 8.360 nan 0.000 0.452 762 G N 0.753 109.649 108.800 0.159 0.000 2.418 762 G HA2 -0.231 3.734 3.960 0.007 0.000 0.217 762 G HA3 -0.231 3.734 3.960 0.007 0.000 0.217 762 G C 1.747 176.765 174.900 0.197 0.000 1.158 762 G CA 1.007 46.214 45.100 0.178 0.000 0.771 762 G HN 0.344 nan 8.290 nan 0.000 0.545 763 I N 0.891 121.611 120.570 0.251 0.000 2.179 763 I HA -0.174 4.000 4.170 0.007 0.000 0.242 763 I C 2.534 178.762 176.117 0.185 0.000 1.088 763 I CA 0.848 62.283 61.300 0.224 0.000 1.357 763 I CB -0.261 37.853 38.000 0.189 0.000 1.051 763 I HN 0.083 nan 8.210 nan 0.000 0.409 764 N N 0.827 119.630 118.700 0.172 0.000 2.104 764 N HA -0.214 4.530 4.740 0.007 0.000 0.190 764 N C 1.839 177.428 175.510 0.132 0.000 1.024 764 N CA 1.361 54.505 53.050 0.158 0.000 0.853 764 N CB -0.366 38.204 38.487 0.137 0.000 1.008 764 N HN 0.484 nan 8.380 nan 0.000 0.424 765 Q N 0.352 120.221 119.800 0.114 0.000 2.084 765 Q HA -0.015 4.329 4.340 0.007 0.000 0.202 765 Q C 2.130 178.187 176.000 0.095 0.000 0.978 765 Q CA 1.559 57.415 55.803 0.089 0.000 0.844 765 Q CB -0.168 28.611 28.738 0.069 0.000 0.898 765 Q HN 0.401 nan 8.270 nan 0.000 0.426 766 A N 1.151 124.043 122.820 0.119 0.000 1.877 766 A HA -0.178 4.146 4.320 0.007 0.000 0.216 766 A C 2.026 179.693 177.584 0.139 0.000 1.186 766 A CA 1.144 53.265 52.037 0.140 0.000 0.620 766 A CB -0.531 18.590 19.000 0.201 0.000 0.822 766 A HN 0.252 nan 8.150 nan 0.000 0.443 767 I N 0.769 121.436 120.570 0.161 0.000 2.264 767 I HA -0.224 3.950 4.170 0.007 0.000 0.248 767 I C 1.769 177.961 176.117 0.126 0.000 1.111 767 I CA 1.635 63.035 61.300 0.165 0.000 1.382 767 I CB -1.499 36.630 38.000 0.215 0.000 1.060 767 I HN 0.318 nan 8.210 nan 0.000 0.418 768 D N 0.842 121.308 120.400 0.111 0.000 2.117 768 D HA -0.153 4.491 4.640 0.007 0.000 0.197 768 D C 1.903 178.254 176.300 0.084 0.000 0.987 768 D CA 1.002 55.057 54.000 0.092 0.000 0.829 768 D CB -0.320 40.528 40.800 0.080 0.000 0.961 768 D HN 0.343 nan 8.370 nan 0.000 0.460 769 N N 0.782 119.526 118.700 0.073 0.000 2.084 769 N HA -0.079 4.666 4.740 0.007 0.000 0.190 769 N C 2.202 177.762 175.510 0.084 0.000 1.030 769 N CA 0.458 53.542 53.050 0.057 0.000 0.849 769 N CB -0.265 38.230 38.487 0.013 0.000 1.012 769 N HN 0.268 nan 8.380 nan 0.000 0.423 770 I N 1.589 122.208 120.570 0.082 0.000 2.208 770 I HA -0.257 3.917 4.170 0.007 0.000 0.245 770 I C 1.646 177.853 176.117 0.149 0.000 1.097 770 I CA 0.928 62.297 61.300 0.114 0.000 1.363 770 I CB -0.244 37.813 38.000 0.095 0.000 1.051 770 I HN 0.095 nan 8.210 nan 0.000 0.413 771 N N 0.913 119.683 118.700 0.117 0.000 2.188 771 N HA -0.144 4.600 4.740 0.007 0.000 0.184 771 N C 1.567 177.135 175.510 0.096 0.000 1.018 771 N CA 1.106 54.217 53.050 0.102 0.000 0.858 771 N CB -0.552 37.992 38.487 0.095 0.000 0.989 771 N HN 0.371 nan 8.380 nan 0.000 0.426 772 N N 0.569 119.333 118.700 0.107 0.000 2.142 772 N HA -0.114 4.630 4.740 0.007 0.000 0.186 772 N C 1.630 177.206 175.510 0.110 0.000 1.023 772 N CA 0.470 53.580 53.050 0.101 0.000 0.852 772 N CB -0.532 38.013 38.487 0.097 0.000 0.998 772 N HN 0.180 nan 8.380 nan 0.000 0.424 773 F N 2.345 122.286 119.950 -0.016 0.000 2.069 773 F HA -0.125 4.399 4.527 -0.004 0.000 0.298 773 F C 2.105 177.874 175.800 -0.052 0.000 1.113 773 F CA 1.134 59.106 58.000 -0.046 0.000 1.214 773 F CB -0.329 38.613 39.000 -0.097 0.000 0.978 773 F HN -0.113 nan 8.300 nan 0.000 0.474 774 I N 0.755 121.213 120.570 -0.186 0.000 2.226 774 I HA -0.285 3.889 4.170 0.007 0.000 0.245 774 I C 2.023 177.920 176.117 -0.367 0.000 1.100 774 I CA 1.194 62.286 61.300 -0.345 0.000 1.374 774 I CB -1.654 36.320 38.000 -0.044 0.000 1.057 774 I HN 0.228 nan 8.210 nan 0.000 0.413 775 N N 1.340 119.963 118.700 -0.127 0.000 2.166 775 N HA -0.118 4.626 4.740 0.007 0.000 0.186 775 N C 1.999 177.483 175.510 -0.042 0.000 1.019 775 N CA 1.522 54.551 53.050 -0.034 0.000 0.856 775 N CB -0.642 37.887 38.487 0.070 0.000 0.993 775 N HN 0.421 nan 8.380 nan 0.000 0.426 776 G N 0.244 109.006 108.800 -0.065 0.000 2.418 776 G HA2 -0.226 3.738 3.960 0.007 0.000 0.217 776 G HA3 -0.226 3.738 3.960 0.007 0.000 0.217 776 G C 1.885 176.751 174.900 -0.057 0.000 1.158 776 G CA 0.889 46.005 45.100 0.026 0.000 0.771 776 G HN 0.354 nan 8.290 nan 0.000 0.545 777 C N 0.067 119.160 119.300 -0.345 0.000 2.429 777 C HA 0.006 4.470 4.460 0.007 0.000 0.277 777 C C 3.333 178.081 174.990 -0.404 0.000 1.262 777 C CA 1.264 60.037 59.018 -0.409 0.000 1.733 777 C CB -0.777 26.515 27.740 -0.745 0.000 2.010 777 C HN 0.470 nan 8.230 nan 0.000 0.483 778 S N 0.376 115.723 115.700 -0.589 0.000 2.356 778 S HA -0.135 4.339 4.470 0.007 0.000 0.223 778 S C 1.837 176.633 174.600 0.327 0.000 1.032 778 S CA 1.901 60.092 58.200 -0.016 0.000 1.005 778 S CB -0.184 63.112 63.200 0.160 0.000 0.867 778 S HN 0.410 nan 8.310 nan 0.000 0.449 779 V N 1.137 121.113 119.914 0.103 0.000 2.427 779 V HA -0.086 4.038 4.120 0.007 0.000 0.248 779 V C 2.658 178.468 176.094 -0.473 0.000 1.051 779 V CA 1.914 64.081 62.300 -0.223 0.000 1.048 779 V CB -1.007 30.647 31.823 -0.282 0.000 0.666 779 V HN 0.601 nan 8.190 nan 0.000 0.456 780 S N -0.944 114.622 115.700 -0.223 0.000 2.368 780 S HA -0.271 4.204 4.470 0.007 0.000 0.225 780 S C 2.008 176.550 174.600 -0.097 0.000 1.030 780 S CA 1.893 60.043 58.200 -0.084 0.000 0.999 780 S CB -0.444 62.825 63.200 0.116 0.000 0.844 780 S HN 0.657 nan 8.310 nan 0.000 0.459 781 Y N 1.453 121.714 120.300 -0.065 0.000 2.181 781 Y HA -0.074 4.474 4.550 -0.004 0.000 0.288 781 Y C 2.093 177.913 175.900 -0.133 0.000 1.146 781 Y CA 1.750 59.844 58.100 -0.009 0.000 1.164 781 Y CB -0.513 38.078 38.460 0.219 0.000 0.982 781 Y HN 0.367 nan 8.280 nan 0.000 0.515 782 L N -0.295 120.823 121.223 -0.176 0.000 1.989 782 L HA -0.265 4.079 4.340 0.007 0.000 0.211 782 L C 2.032 178.627 176.870 -0.459 0.000 1.071 782 L CA 2.078 56.593 54.840 -0.542 0.000 0.749 782 L CB -0.776 40.532 42.059 -1.251 0.000 0.890 782 L HN 0.198 nan 8.230 nan 0.000 0.431 783 M N -0.719 118.638 119.600 -0.405 0.000 2.200 783 M HA -0.126 4.359 4.480 0.007 0.000 0.265 783 M C 2.172 178.369 176.300 -0.172 0.000 1.066 783 M CA 1.642 56.793 55.300 -0.249 0.000 1.127 783 M CB -0.980 31.503 32.600 -0.196 0.000 1.379 783 M HN 0.309 nan 8.290 nan 0.000 0.420 784 K N -0.646 119.578 120.400 -0.292 0.000 2.335 784 K HA 0.055 4.379 4.320 0.007 0.000 0.195 784 K C 1.564 177.946 176.600 -0.362 0.000 1.058 784 K CA 0.301 56.347 56.287 -0.402 0.000 0.988 784 K CB 0.581 32.698 32.500 -0.639 0.000 0.880 784 K HN 0.055 nan 8.250 nan 0.000 0.513 785 K N -0.275 119.831 120.400 -0.491 0.000 2.373 785 K HA 0.276 4.600 4.320 0.007 0.000 0.200 785 K C 1.352 177.670 176.600 -0.470 0.000 1.054 785 K CA 0.408 56.332 56.287 -0.604 0.000 1.065 785 K CB 0.775 32.532 32.500 -1.237 0.000 0.886 785 K HN 0.130 nan 8.250 nan 0.000 0.546 786 M N -0.596 118.784 119.600 -0.367 0.000 2.902 786 M HA 0.157 4.641 4.480 0.007 0.000 0.225 786 M C 1.552 177.721 176.300 -0.218 0.000 1.711 786 M CA 0.140 55.291 55.300 -0.248 0.000 1.213 786 M CB 0.107 32.587 32.600 -0.199 0.000 1.265 786 M HN -0.171 nan 8.290 nan 0.000 0.577 787 I N 1.416 121.827 120.570 -0.266 0.000 2.151 787 I HA -0.169 4.006 4.170 0.007 0.000 0.243 787 I C -0.563 175.506 176.117 -0.081 0.000 1.080 787 I CA 2.042 63.204 61.300 -0.229 0.000 1.339 787 I CB -2.371 35.438 38.000 -0.318 0.000 1.039 787 I HN 0.108 nan 8.210 nan 0.000 0.409 788 P HA -0.135 nan 4.420 nan 0.000 0.216 788 P C 2.211 179.493 177.300 -0.029 0.000 1.150 788 P CA 1.252 64.358 63.100 0.010 0.000 0.837 788 P CB -0.028 31.708 31.700 0.061 0.000 0.786 789 L N -1.567 119.614 121.223 -0.070 0.000 2.201 789 L HA -0.125 4.219 4.340 0.007 0.000 0.212 789 L C 2.344 179.154 176.870 -0.099 0.000 1.105 789 L CA 1.358 56.151 54.840 -0.080 0.000 0.775 789 L CB -0.942 41.061 42.059 -0.094 0.000 0.913 789 L HN -0.011 nan 8.230 nan 0.000 0.440 790 A N -0.404 122.348 122.820 -0.113 0.000 1.898 790 A HA -0.069 4.256 4.320 0.007 0.000 0.214 790 A C 2.285 179.737 177.584 -0.219 0.000 1.183 790 A CA 0.928 52.868 52.037 -0.163 0.000 0.622 790 A CB -0.571 18.346 19.000 -0.139 0.000 0.824 790 A HN 0.141 nan 8.150 nan 0.000 0.444 791 V N 0.457 120.295 119.914 -0.125 0.000 2.392 791 V HA -0.302 3.822 4.120 0.007 0.000 0.249 791 V C 2.494 178.505 176.094 -0.138 0.000 1.059 791 V CA 2.376 64.595 62.300 -0.135 0.000 1.051 791 V CB -0.750 31.117 31.823 0.074 0.000 0.658 791 V HN 0.793 nan 8.190 nan 0.000 0.455 792 E N 0.097 120.247 120.200 -0.084 0.000 2.058 792 E HA -0.253 4.101 4.350 0.007 0.000 0.194 792 E C 2.269 178.819 176.600 -0.085 0.000 0.997 792 E CA 1.259 57.625 56.400 -0.056 0.000 0.801 792 E CB 0.016 29.691 29.700 -0.042 0.000 0.746 792 E HN 0.432 nan 8.360 nan 0.000 0.450 793 K N 0.333 120.652 120.400 -0.134 0.000 2.057 793 K HA -0.092 4.232 4.320 0.007 0.000 0.206 793 K C 2.318 178.813 176.600 -0.176 0.000 1.050 793 K CA 0.776 56.981 56.287 -0.136 0.000 0.935 793 K CB -0.325 32.077 32.500 -0.162 0.000 0.715 793 K HN 0.296 nan 8.250 nan 0.000 0.439 794 L N 0.723 121.715 121.223 -0.384 0.000 2.093 794 L HA -0.133 4.212 4.340 0.007 0.000 0.208 794 L C 2.421 179.187 176.870 -0.173 0.000 1.085 794 L CA 0.831 55.295 54.840 -0.627 0.000 0.755 794 L CB -0.427 40.586 42.059 -1.744 0.000 0.904 794 L HN 0.077 nan 8.230 nan 0.000 0.435 795 L N -0.551 120.635 121.223 -0.061 0.000 2.109 795 L HA -0.194 4.150 4.340 0.007 0.000 0.207 795 L C 2.285 179.204 176.870 0.081 0.000 1.086 795 L CA 1.004 55.929 54.840 0.141 0.000 0.760 795 L CB -0.487 41.648 42.059 0.128 0.000 0.910 795 L HN 0.268 nan 8.230 nan 0.000 0.437 796 D N 0.239 120.658 120.400 0.033 0.000 2.084 796 D HA -0.283 4.361 4.640 0.007 0.000 0.194 796 D C 2.039 178.357 176.300 0.030 0.000 0.990 796 D CA 1.327 55.341 54.000 0.023 0.000 0.826 796 D CB -0.122 40.686 40.800 0.012 0.000 0.971 796 D HN 0.199 nan 8.370 nan 0.000 0.453 797 F N 1.373 121.272 119.950 -0.084 0.000 2.091 797 F HA -0.207 4.324 4.527 0.007 0.000 0.299 797 F C 1.841 177.601 175.800 -0.068 0.000 1.103 797 F CA 1.952 59.893 58.000 -0.099 0.000 1.228 797 F CB -0.604 38.306 39.000 -0.150 0.000 0.984 797 F HN -0.105 nan 8.300 nan 0.000 0.477 798 D N 0.063 120.378 120.400 -0.142 0.000 2.116 798 D HA -0.253 4.392 4.640 0.007 0.000 0.193 798 D C 2.165 178.330 176.300 -0.225 0.000 0.998 798 D CA 1.574 55.462 54.000 -0.186 0.000 0.836 798 D CB -0.819 40.063 40.800 0.137 0.000 0.951 798 D HN 0.520 nan 8.370 nan 0.000 0.449 799 N N -0.425 118.203 118.700 -0.121 0.000 2.084 799 N HA -0.146 4.598 4.740 0.007 0.000 0.190 799 N C 1.471 176.894 175.510 -0.146 0.000 1.030 799 N CA 1.592 54.583 53.050 -0.098 0.000 0.849 799 N CB 0.117 38.576 38.487 -0.047 0.000 1.012 799 N HN 0.042 nan 8.380 nan 0.000 0.423 800 T N 1.510 115.954 114.554 -0.183 0.000 2.720 800 T HA -0.148 4.206 4.350 0.007 0.000 0.268 800 T C 1.819 176.365 174.700 -0.257 0.000 1.037 800 T CA 0.856 62.849 62.100 -0.178 0.000 1.144 800 T CB -0.279 68.501 68.868 -0.147 0.000 0.864 800 T HN 0.183 nan 8.240 nan 0.000 0.444 801 L N 1.107 122.043 121.223 -0.478 0.000 2.201 801 L HA 0.117 4.461 4.340 0.007 0.000 0.212 801 L C 2.223 178.926 176.870 -0.278 0.000 1.105 801 L CA 1.679 56.214 54.840 -0.509 0.000 0.775 801 L CB -0.486 41.015 42.059 -0.930 0.000 0.913 801 L HN 0.082 nan 8.230 nan 0.000 0.440 802 K N 0.352 120.619 120.400 -0.222 0.000 1.978 802 K HA -0.250 4.074 4.320 0.007 0.000 0.214 802 K C 2.082 178.638 176.600 -0.073 0.000 1.049 802 K CA 2.225 58.439 56.287 -0.123 0.000 0.939 802 K CB -0.134 32.309 32.500 -0.093 0.000 0.721 802 K HN 0.513 nan 8.250 nan 0.000 0.441 803 K N 0.270 120.632 120.400 -0.064 0.000 2.209 803 K HA -0.143 4.181 4.320 0.007 0.000 0.204 803 K C 1.942 178.537 176.600 -0.008 0.000 1.048 803 K CA 1.456 57.726 56.287 -0.027 0.000 0.940 803 K CB -0.337 32.149 32.500 -0.024 0.000 0.729 803 K HN 0.119 nan 8.250 nan 0.000 0.451 804 N N 1.827 120.507 118.700 -0.034 0.000 2.084 804 N HA -0.138 4.606 4.740 0.007 0.000 0.190 804 N C 1.717 177.254 175.510 0.044 0.000 1.030 804 N CA 1.312 54.360 53.050 -0.003 0.000 0.849 804 N CB -0.084 38.374 38.487 -0.048 0.000 1.012 804 N HN 0.296 nan 8.380 nan 0.000 0.423 805 L N 0.513 121.743 121.223 0.011 0.000 2.072 805 L HA -0.072 4.272 4.340 0.007 0.000 0.205 805 L C 2.491 179.436 176.870 0.124 0.000 1.079 805 L CA 0.560 55.437 54.840 0.062 0.000 0.752 805 L CB -0.382 41.681 42.059 0.007 0.000 0.906 805 L HN 0.143 nan 8.230 nan 0.000 0.436 806 L N -0.186 121.075 121.223 0.065 0.000 2.017 806 L HA -0.233 4.111 4.340 0.007 0.000 0.208 806 L C 2.481 179.399 176.870 0.079 0.000 1.073 806 L CA 1.369 56.245 54.840 0.060 0.000 0.745 806 L CB -0.832 41.242 42.059 0.024 0.000 0.894 806 L HN 0.421 nan 8.230 nan 0.000 0.432 807 N N -0.185 118.562 118.700 0.078 0.000 2.348 807 N HA -0.268 4.476 4.740 0.007 0.000 0.185 807 N C 1.900 177.482 175.510 0.118 0.000 1.019 807 N CA 1.346 54.443 53.050 0.078 0.000 0.880 807 N CB 0.015 38.542 38.487 0.067 0.000 0.965 807 N HN 0.387 nan 8.380 nan 0.000 0.437 808 Y N 1.062 121.378 120.300 0.028 0.000 2.243 808 Y HA 0.157 4.712 4.550 0.007 0.000 0.293 808 Y C 2.196 178.129 175.900 0.054 0.000 1.124 808 Y CA 0.920 59.045 58.100 0.041 0.000 1.159 808 Y CB -0.161 38.328 38.460 0.047 0.000 1.008 808 Y HN -0.020 nan 8.280 nan 0.000 0.527 809 I N 0.122 120.771 120.570 0.131 0.000 2.830 809 I HA -0.190 3.984 4.170 0.007 0.000 0.263 809 I C 1.621 177.741 176.117 0.005 0.000 1.230 809 I CA 1.567 62.901 61.300 0.056 0.000 1.480 809 I CB -0.269 37.786 38.000 0.092 0.000 1.095 809 I HN 0.271 nan 8.210 nan 0.000 0.455 810 D N 1.068 121.473 120.400 0.008 0.000 2.144 810 D HA -0.150 4.494 4.640 0.007 0.000 0.207 810 D C 2.044 178.334 176.300 -0.017 0.000 0.970 810 D CA 1.051 55.053 54.000 0.002 0.000 0.853 810 D CB 0.127 40.935 40.800 0.014 0.000 1.007 810 D HN 0.165 nan 8.370 nan 0.000 0.469 811 E N -0.256 119.923 120.200 -0.034 0.000 2.267 811 E HA -0.104 4.251 4.350 0.007 0.000 0.197 811 E C 0.798 177.389 176.600 -0.014 0.000 0.998 811 E CA 0.656 57.036 56.400 -0.034 0.000 0.830 811 E CB -0.045 29.624 29.700 -0.052 0.000 0.751 811 E HN 0.410 nan 8.360 nan 0.000 0.491 812 N N 0.391 119.051 118.700 -0.067 0.000 2.204 812 N HA 0.010 4.754 4.740 0.007 0.000 0.219 812 N C 1.016 176.576 175.510 0.083 0.000 1.151 812 N CA -0.094 53.003 53.050 0.078 0.000 0.867 812 N CB 0.491 38.901 38.487 -0.129 0.000 1.043 812 N HN 0.150 nan 8.380 nan 0.000 0.516 813 K N 1.185 121.590 120.400 0.008 0.000 2.107 813 K HA -0.193 4.131 4.320 0.007 0.000 0.211 813 K C 1.681 178.252 176.600 -0.048 0.000 1.049 813 K CA 1.224 57.504 56.287 -0.012 0.000 0.927 813 K CB -0.436 32.049 32.500 -0.024 0.000 0.714 813 K HN 0.125 nan 8.250 nan 0.000 0.452 814 L N 0.088 121.221 121.223 -0.150 0.000 1.961 814 L HA -0.163 4.181 4.340 0.007 0.000 0.210 814 L C 2.493 179.218 176.870 -0.242 0.000 1.072 814 L CA 1.508 56.175 54.840 -0.288 0.000 0.749 814 L CB -0.860 40.858 42.059 -0.569 0.000 0.889 814 L HN 0.140 nan 8.230 nan 0.000 0.432 815 Y N -0.093 120.197 120.300 -0.017 0.000 2.736 815 Y HA -0.156 4.399 4.550 0.007 0.000 0.298 815 Y C 2.030 177.933 175.900 0.006 0.000 1.156 815 Y CA 0.447 58.544 58.100 -0.006 0.000 1.384 815 Y CB -0.593 37.861 38.460 -0.009 0.000 0.976 815 Y HN 0.195 nan 8.280 nan 0.000 0.556 816 L N -0.250 121.036 121.223 0.105 0.000 2.672 816 L HA 0.092 4.436 4.340 0.007 0.000 0.236 816 L C 1.503 178.405 176.870 0.054 0.000 1.092 816 L CA -0.190 54.704 54.840 0.090 0.000 0.887 816 L CB -0.024 42.087 42.059 0.086 0.000 1.168 816 L HN 0.205 nan 8.230 nan 0.000 0.502 817 I N -0.542 120.037 120.570 0.016 0.000 4.909 817 I HA -0.344 3.830 4.170 0.007 0.000 0.038 817 I C 1.033 177.161 176.117 0.019 0.000 0.635 817 I CA 1.627 62.927 61.300 0.001 0.000 0.203 817 I CB -1.785 36.215 38.000 0.001 0.000 0.319 817 I HN 0.256 nan 8.210 nan 0.000 0.151 818 G N 1.377 110.187 108.800 0.018 0.000 3.180 818 G HA2 0.371 4.335 3.960 0.007 0.000 0.252 818 G HA3 0.371 4.335 3.960 0.007 0.000 0.252 818 G C 0.824 175.753 174.900 0.048 0.000 0.871 818 G CA 0.675 45.789 45.100 0.024 0.000 1.979 818 G HN 1.379 nan 8.290 nan 0.000 0.624 819 S N -2.052 113.696 115.700 0.080 0.000 2.391 819 S HA 0.255 4.729 4.470 0.007 0.000 0.275 819 S C 1.873 176.562 174.600 0.148 0.000 1.032 819 S CA 0.888 59.178 58.200 0.150 0.000 1.421 819 S CB -0.127 63.173 63.200 0.167 0.000 1.176 819 S HN 0.683 nan 8.310 nan 0.000 0.615 820 A N 1.089 123.964 122.820 0.091 0.000 2.285 820 A HA 0.052 4.376 4.320 0.007 0.000 0.214 820 A C 1.878 179.501 177.584 0.064 0.000 1.188 820 A CA 1.863 53.941 52.037 0.069 0.000 0.707 820 A CB -0.533 18.492 19.000 0.041 0.000 0.771 820 A HN 0.559 nan 8.150 nan 0.000 0.488 821 E N -2.422 117.830 120.200 0.087 0.000 2.332 821 E HA 0.067 4.421 4.350 0.007 0.000 0.202 821 E C 1.514 178.177 176.600 0.106 0.000 0.877 821 E CA 0.350 56.797 56.400 0.077 0.000 0.979 821 E CB -0.412 29.331 29.700 0.071 0.000 0.969 821 E HN 0.521 nan 8.360 nan 0.000 0.495 822 Y N 1.930 122.244 120.300 0.023 0.000 2.128 822 Y HA -0.097 4.457 4.550 0.007 0.000 0.284 822 Y C 1.361 177.280 175.900 0.031 0.000 1.154 822 Y CA 2.208 60.323 58.100 0.024 0.000 1.149 822 Y CB -0.026 38.449 38.460 0.025 0.000 0.976 822 Y HN 0.053 nan 8.280 nan 0.000 0.505 823 E N -0.541 119.550 120.200 -0.181 0.000 2.502 823 E HA -0.067 4.288 4.350 0.007 0.000 0.194 823 E C 1.756 178.290 176.600 -0.110 0.000 1.062 823 E CA 0.204 56.451 56.400 -0.256 0.000 0.867 823 E CB 0.135 29.790 29.700 -0.074 0.000 0.888 823 E HN 0.223 nan 8.360 nan 0.000 0.510 824 K N 0.941 121.311 120.400 -0.050 0.000 2.031 824 K HA -0.091 4.234 4.320 0.007 0.000 0.205 824 K C 2.178 178.754 176.600 -0.039 0.000 1.049 824 K CA 1.655 57.932 56.287 -0.017 0.000 0.939 824 K CB -0.107 32.399 32.500 0.010 0.000 0.717 824 K HN 0.084 nan 8.250 nan 0.000 0.438 825 S N 0.096 115.764 115.700 -0.053 0.000 2.414 825 S HA -0.093 4.381 4.470 0.007 0.000 0.227 825 S C 1.974 176.523 174.600 -0.086 0.000 1.022 825 S CA 0.919 59.089 58.200 -0.050 0.000 0.958 825 S CB -0.268 62.918 63.200 -0.024 0.000 0.797 825 S HN 0.321 nan 8.310 nan 0.000 0.493 826 K N 0.973 121.273 120.400 -0.166 0.000 2.218 826 K HA -0.068 4.257 4.320 0.007 0.000 0.205 826 K C 1.608 178.146 176.600 -0.105 0.000 1.046 826 K CA 1.409 57.582 56.287 -0.190 0.000 0.933 826 K CB -0.228 32.069 32.500 -0.337 0.000 0.728 826 K HN 0.364 nan 8.250 nan 0.000 0.454 827 V N 0.923 120.790 119.914 -0.078 0.000 2.599 827 V HA -0.118 4.006 4.120 0.007 0.000 0.245 827 V C 1.449 177.515 176.094 -0.046 0.000 1.046 827 V CA 1.587 63.857 62.300 -0.050 0.000 1.065 827 V CB -0.459 31.345 31.823 -0.031 0.000 0.703 827 V HN 0.358 nan 8.190 nan 0.000 0.464 828 N N 1.186 119.861 118.700 -0.041 0.000 2.142 828 N HA -0.159 4.585 4.740 0.007 0.000 0.186 828 N C 1.786 177.277 175.510 -0.031 0.000 1.023 828 N CA 1.426 54.457 53.050 -0.032 0.000 0.852 828 N CB -0.267 38.206 38.487 -0.023 0.000 0.998 828 N HN 0.629 nan 8.380 nan 0.000 0.424 829 K N -0.931 119.448 120.400 -0.034 0.000 2.288 829 K HA -0.111 4.214 4.320 0.007 0.000 0.201 829 K C 2.291 178.869 176.600 -0.036 0.000 1.048 829 K CA 1.376 57.646 56.287 -0.028 0.000 0.956 829 K CB -0.676 31.810 32.500 -0.024 0.000 0.746 829 K HN 0.394 nan 8.250 nan 0.000 0.461 830 Y N 2.090 122.363 120.300 -0.045 0.000 2.176 830 Y HA 0.195 4.750 4.550 0.007 0.000 0.291 830 Y C 2.110 177.971 175.900 -0.066 0.000 1.122 830 Y CA 0.769 58.838 58.100 -0.051 0.000 1.128 830 Y CB -0.627 37.807 38.460 -0.044 0.000 1.005 830 Y HN 0.003 nan 8.280 nan 0.000 0.509 831 L N 0.457 121.645 121.223 -0.058 0.000 2.675 831 L HA -0.008 4.337 4.340 0.007 0.000 0.239 831 L C 2.008 178.851 176.870 -0.045 0.000 1.151 831 L CA 0.835 55.640 54.840 -0.059 0.000 0.905 831 L CB -0.136 41.891 42.059 -0.053 0.000 1.057 831 L HN 0.342 nan 8.230 nan 0.000 0.435 832 K N 0.643 121.016 120.400 -0.045 0.000 2.063 832 K HA 0.009 4.334 4.320 0.007 0.000 0.204 832 K C 0.945 177.524 176.600 -0.034 0.000 1.039 832 K CA 0.790 57.062 56.287 -0.026 0.000 0.957 832 K CB -0.055 32.435 32.500 -0.017 0.000 0.764 832 K HN 0.182 nan 8.250 nan 0.000 0.447 833 T N 1.523 116.045 114.554 -0.054 0.000 2.737 833 T HA 0.366 4.720 4.350 0.007 0.000 0.296 833 T C 0.785 175.387 174.700 -0.163 0.000 0.922 833 T CA -0.750 61.313 62.100 -0.062 0.000 1.079 833 T CB -0.390 68.453 68.868 -0.041 0.000 0.892 833 T HN 0.256 nan 8.240 nan 0.000 0.514 834 I N 1.061 121.520 120.570 -0.185 0.000 2.834 834 I HA 0.474 4.648 4.170 0.007 0.000 0.305 834 I C 0.425 176.342 176.117 -0.334 0.000 1.008 834 I CA -1.433 59.584 61.300 -0.471 0.000 1.273 834 I CB 1.098 38.894 38.000 -0.341 0.000 1.432 834 I HN 0.609 nan 8.210 nan 0.000 0.557 835 M N 4.424 123.718 119.600 -0.510 0.000 2.146 835 M HA 0.403 4.887 4.480 0.007 0.000 0.352 835 M C -2.430 174.079 176.300 0.348 0.000 1.343 835 M CA -1.474 53.819 55.300 -0.012 0.000 1.115 835 M CB 0.529 33.187 32.600 0.096 0.000 1.657 835 M HN 0.409 nan 8.290 nan 0.000 0.471 836 P HA 0.100 nan 4.420 nan 0.000 0.275 836 P C -1.242 176.236 177.300 0.298 0.000 1.227 836 P CA -0.245 63.025 63.100 0.283 0.000 0.781 836 P CB 0.305 32.109 31.700 0.174 0.000 0.906 837 F N 3.268 123.216 119.950 -0.003 0.000 2.467 837 F HA 0.273 4.805 4.527 0.008 0.000 0.362 837 F C 0.031 175.834 175.800 0.005 0.000 1.090 837 F CA -0.184 57.630 58.000 -0.310 0.000 1.202 837 F CB 0.172 38.772 39.000 -0.666 0.000 1.113 837 F HN 0.148 nan 8.300 nan 0.000 0.541 838 D N 6.677 126.644 120.400 -0.722 0.000 2.469 838 D HA 0.094 4.738 4.640 0.007 0.000 0.251 838 D C 0.637 176.350 176.300 -0.977 0.000 1.173 838 D CA -0.436 53.187 54.000 -0.629 0.000 0.882 838 D CB 1.369 42.032 40.800 -0.229 0.000 1.129 838 D HN 0.650 nan 8.370 nan 0.000 0.549 839 L N 4.138 124.467 121.223 -1.490 0.000 2.079 839 L HA -0.161 4.183 4.340 0.007 0.000 0.210 839 L C 2.119 178.755 176.870 -0.390 0.000 1.081 839 L CA 2.399 56.649 54.840 -0.984 0.000 0.752 839 L CB -0.770 40.488 42.059 -1.336 0.000 0.896 839 L HN 0.505 nan 8.230 nan 0.000 0.433 840 S N -1.169 114.325 115.700 -0.343 0.000 2.465 840 S HA -0.139 4.335 4.470 0.007 0.000 0.241 840 S C 1.871 176.340 174.600 -0.219 0.000 1.000 840 S CA 1.060 59.153 58.200 -0.179 0.000 0.964 840 S CB -0.788 62.349 63.200 -0.105 0.000 0.763 840 S HN 0.427 nan 8.310 nan 0.000 0.512 841 I N 0.152 120.499 120.570 -0.372 0.000 2.617 841 I HA 0.023 4.197 4.170 0.007 0.000 0.256 841 I C 1.212 176.935 176.117 -0.656 0.000 1.167 841 I CA 0.927 61.892 61.300 -0.558 0.000 1.469 841 I CB -1.276 36.236 38.000 -0.813 0.000 1.098 841 I HN 0.338 nan 8.210 nan 0.000 0.436 842 Y N -0.086 120.199 120.300 -0.026 0.000 2.467 842 Y HA 0.274 4.829 4.550 0.008 0.000 0.250 842 Y C 1.003 176.922 175.900 0.031 0.000 1.155 842 Y CA -0.213 57.910 58.100 0.039 0.000 1.249 842 Y CB 0.401 38.927 38.460 0.110 0.000 1.146 842 Y HN -0.017 nan 8.280 nan 0.000 0.524 843 T N -0.013 114.583 114.554 0.071 0.000 2.893 843 T HA 0.253 4.607 4.350 0.007 0.000 0.337 843 T C -0.819 173.890 174.700 0.014 0.000 1.587 843 T CA -0.705 61.434 62.100 0.066 0.000 1.066 843 T CB 0.538 69.480 68.868 0.123 0.000 1.414 843 T HN 0.259 nan 8.240 nan 0.000 0.488 844 N N 1.298 120.008 118.700 0.016 0.000 2.200 844 N HA 0.184 4.928 4.740 0.007 0.000 0.224 844 N C -0.212 175.315 175.510 0.028 0.000 1.179 844 N CA -0.558 52.495 53.050 0.004 0.000 0.877 844 N CB 0.445 38.923 38.487 -0.016 0.000 1.072 844 N HN 0.576 nan 8.380 nan 0.000 0.519 845 D N 0.918 121.350 120.400 0.052 0.000 2.412 845 D HA -0.006 4.638 4.640 0.007 0.000 0.257 845 D C 0.373 176.715 176.300 0.070 0.000 1.217 845 D CA 0.391 54.430 54.000 0.065 0.000 0.897 845 D CB 0.987 41.839 40.800 0.088 0.000 1.132 845 D HN 0.128 nan 8.370 nan 0.000 0.493 846 T N 4.916 119.506 114.554 0.060 0.000 2.665 846 T HA -0.172 4.182 4.350 0.007 0.000 0.268 846 T C 1.989 176.741 174.700 0.087 0.000 1.035 846 T CA 0.608 62.747 62.100 0.065 0.000 1.151 846 T CB 0.122 69.022 68.868 0.054 0.000 0.862 846 T HN 0.507 nan 8.240 nan 0.000 0.438 847 I N 1.130 121.754 120.570 0.089 0.000 2.127 847 I HA -0.116 4.058 4.170 0.007 0.000 0.241 847 I C 2.438 178.637 176.117 0.137 0.000 1.075 847 I CA 1.405 62.768 61.300 0.105 0.000 1.334 847 I CB -1.452 36.607 38.000 0.097 0.000 1.040 847 I HN 0.281 nan 8.210 nan 0.000 0.405 848 L N -0.032 121.278 121.223 0.145 0.000 2.046 848 L HA -0.209 4.136 4.340 0.007 0.000 0.208 848 L C 2.610 179.610 176.870 0.217 0.000 1.077 848 L CA 0.964 55.926 54.840 0.203 0.000 0.747 848 L CB -0.470 41.708 42.059 0.198 0.000 0.896 848 L HN 0.158 nan 8.230 nan 0.000 0.432 849 I N 0.161 120.827 120.570 0.160 0.000 2.179 849 I HA -0.255 3.919 4.170 0.007 0.000 0.242 849 I C 2.480 178.723 176.117 0.210 0.000 1.088 849 I CA 1.583 62.983 61.300 0.166 0.000 1.357 849 I CB -1.130 36.932 38.000 0.103 0.000 1.051 849 I HN 0.360 nan 8.210 nan 0.000 0.409 850 E N 0.316 120.613 120.200 0.160 0.000 2.118 850 E HA -0.227 4.127 4.350 0.007 0.000 0.195 850 E C 2.310 179.013 176.600 0.171 0.000 0.992 850 E CA 1.235 57.721 56.400 0.143 0.000 0.804 850 E CB -0.183 29.583 29.700 0.110 0.000 0.741 850 E HN 0.444 nan 8.360 nan 0.000 0.458 851 M N -0.116 119.608 119.600 0.206 0.000 2.108 851 M HA -0.176 4.309 4.480 0.007 0.000 0.261 851 M C 2.160 178.626 176.300 0.277 0.000 1.066 851 M CA 1.364 56.802 55.300 0.229 0.000 1.107 851 M CB -0.258 32.501 32.600 0.265 0.000 1.356 851 M HN 0.100 nan 8.290 nan 0.000 0.406 852 F N 1.573 121.598 119.950 0.125 0.000 2.075 852 F HA -0.215 4.315 4.527 0.005 0.000 0.297 852 F C 2.162 178.035 175.800 0.122 0.000 1.113 852 F CA 1.658 59.714 58.000 0.093 0.000 1.218 852 F CB -0.547 38.480 39.000 0.044 0.000 0.984 852 F HN 0.155 nan 8.300 nan 0.000 0.472 853 N N 0.738 119.521 118.700 0.139 0.000 2.149 853 N HA -0.218 4.526 4.740 0.007 0.000 0.188 853 N C 1.906 177.418 175.510 0.002 0.000 1.019 853 N CA 1.413 54.470 53.050 0.012 0.000 0.857 853 N CB -0.578 37.955 38.487 0.076 0.000 0.997 853 N HN 0.384 nan 8.380 nan 0.000 0.426 854 K N 0.060 120.499 120.400 0.064 0.000 2.026 854 K HA -0.193 4.131 4.320 0.007 0.000 0.208 854 K C 2.138 178.762 176.600 0.040 0.000 1.048 854 K CA 1.034 57.353 56.287 0.055 0.000 0.929 854 K CB -0.327 32.224 32.500 0.086 0.000 0.713 854 K HN 0.127 nan 8.250 nan 0.000 0.439 855 Y N 1.968 122.232 120.300 -0.060 0.000 2.114 855 Y HA -0.268 4.284 4.550 0.004 0.000 0.282 855 Y C 1.692 177.513 175.900 -0.132 0.000 1.165 855 Y CA 2.119 60.168 58.100 -0.085 0.000 1.148 855 Y CB -0.203 38.201 38.460 -0.094 0.000 0.972 855 Y HN 0.236 nan 8.280 nan 0.000 0.504 856 N N -0.271 118.401 118.700 -0.047 0.000 2.520 856 N HA -0.106 4.639 4.740 0.007 0.000 0.185 856 N C 1.684 177.131 175.510 -0.105 0.000 1.068 856 N CA 1.191 54.168 53.050 -0.123 0.000 0.911 856 N CB -0.366 37.974 38.487 -0.245 0.000 0.961 856 N HN 0.523 nan 8.380 nan 0.000 0.446 857 S N -0.506 115.141 115.700 -0.089 0.000 2.548 857 S HA 0.019 4.494 4.470 0.007 0.000 0.215 857 S C 0.613 175.170 174.600 -0.072 0.000 0.976 857 S CA -0.330 57.833 58.200 -0.061 0.000 0.908 857 S CB 0.081 63.259 63.200 -0.036 0.000 0.781 857 S HN 0.265 nan 8.310 nan 0.000 0.519 858 E N 1.111 121.238 120.200 -0.121 0.000 2.052 858 E HA 0.317 4.671 4.350 0.007 0.000 0.283 858 E C 0.757 177.295 176.600 -0.104 0.000 1.071 858 E CA -0.449 55.876 56.400 -0.124 0.000 0.851 858 E CB 0.417 30.004 29.700 -0.187 0.000 1.066 858 E HN 0.177 nan 8.360 nan 0.000 0.396 859 I N 5.207 125.753 120.570 -0.040 0.000 2.315 859 I HA -0.276 3.898 4.170 0.007 0.000 0.251 859 I C 1.318 177.503 176.117 0.113 0.000 1.125 859 I CA 1.507 62.822 61.300 0.025 0.000 1.392 859 I CB 0.022 38.023 38.000 0.003 0.000 1.065 859 I HN 0.791 nan 8.210 nan 0.000 0.424 860 L N 0.178 121.435 121.223 0.056 0.000 2.265 860 L HA -0.162 4.182 4.340 0.007 0.000 0.215 860 L C 1.678 178.512 176.870 -0.060 0.000 1.117 860 L CA 0.728 55.599 54.840 0.052 0.000 0.782 860 L CB -0.906 41.156 42.059 0.006 0.000 0.914 860 L HN 0.303 nan 8.230 nan 0.000 0.441 861 N N 0.051 118.661 118.700 -0.149 0.000 2.521 861 N HA -0.073 4.671 4.740 0.007 0.000 0.188 861 N C 1.060 176.542 175.510 -0.047 0.000 1.146 861 N CA 0.503 53.416 53.050 -0.229 0.000 0.893 861 N CB -0.101 37.970 38.487 -0.693 0.000 0.975 861 N HN 0.393 nan 8.380 nan 0.000 0.451 862 N N 0.550 119.258 118.700 0.014 0.000 2.336 862 N HA 0.114 4.858 4.740 0.007 0.000 0.189 862 N C 0.086 175.576 175.510 -0.033 0.000 1.113 862 N CA 0.016 53.114 53.050 0.081 0.000 0.858 862 N CB 0.940 39.545 38.487 0.197 0.000 0.970 862 N HN 0.251 nan 8.380 nan 0.000 0.471 863 I N 2.298 122.741 120.570 -0.211 0.000 2.452 863 I HA 0.037 4.211 4.170 0.007 0.000 0.287 863 I C 1.540 177.576 176.117 -0.136 0.000 1.079 863 I CA 0.064 61.080 61.300 -0.473 0.000 1.387 863 I CB 0.623 38.306 38.000 -0.528 0.000 1.404 863 I HN 0.020 nan 8.210 nan 0.000 0.522 864 I N 4.596 125.057 120.570 -0.182 0.000 4.025 864 I HA 0.413 4.588 4.170 0.007 0.000 0.336 864 I C -0.418 175.676 176.117 -0.039 0.000 1.390 864 I CA -0.008 61.214 61.300 -0.130 0.000 1.099 864 I CB 0.681 38.423 38.000 -0.431 0.000 1.049 864 I HN 0.393 nan 8.210 nan 0.000 0.394 865 L N 1.581 122.788 121.223 -0.026 0.000 2.705 865 L HA 0.544 4.888 4.340 0.007 0.000 0.260 865 L C -1.995 174.915 176.870 0.067 0.000 0.921 865 L CA -0.178 54.713 54.840 0.084 0.000 0.948 865 L CB 1.891 44.069 42.059 0.197 0.000 1.427 865 L HN 0.086 nan 8.230 nan 0.000 0.432 866 N N 4.929 123.690 118.700 0.102 0.000 2.640 866 N HA 0.409 5.153 4.740 0.007 0.000 0.262 866 N C -1.638 173.973 175.510 0.168 0.000 1.174 866 N CA -0.265 52.849 53.050 0.106 0.000 0.791 866 N CB 1.208 39.704 38.487 0.015 0.000 1.279 866 N HN 0.614 nan 8.380 nan 0.000 0.535 867 L N 3.317 124.706 121.223 0.277 0.000 2.385 867 L HA 0.403 4.747 4.340 0.007 0.000 0.281 867 L C 0.488 177.524 176.870 0.276 0.000 1.106 867 L CA -0.175 54.808 54.840 0.240 0.000 0.856 867 L CB 0.226 42.434 42.059 0.247 0.000 1.186 867 L HN 0.132 nan 8.230 nan 0.000 0.453 868 R N 2.596 123.215 120.500 0.200 0.000 2.795 868 R HA 0.318 4.662 4.340 0.007 0.000 0.275 868 R C -1.076 175.350 176.300 0.210 0.000 0.981 868 R CA -1.019 55.229 56.100 0.247 0.000 0.917 868 R CB 1.964 32.380 30.300 0.194 0.000 1.202 868 R HN 0.343 nan 8.270 nan 0.000 0.469 869 Y N 1.758 122.139 120.300 0.135 0.000 2.319 869 Y HA 0.272 4.830 4.550 0.012 0.000 0.328 869 Y C -0.543 175.397 175.900 0.066 0.000 1.133 869 Y CA 0.409 58.564 58.100 0.091 0.000 1.265 869 Y CB 0.746 39.268 38.460 0.104 0.000 1.218 869 Y HN 0.146 nan 8.280 nan 0.000 0.508 870 K N 5.666 125.752 120.400 -0.522 0.000 2.635 870 K HA 0.113 4.438 4.320 0.007 0.000 0.266 870 K C -1.532 174.770 176.600 -0.497 0.000 1.033 870 K CA -0.542 55.528 56.287 -0.361 0.000 0.919 870 K CB 1.069 33.491 32.500 -0.129 0.000 1.289 870 K HN 0.916 nan 8.250 nan 0.000 0.463 871 D N 2.390 122.513 120.400 -0.463 0.000 2.760 871 D HA -0.188 4.456 4.640 0.007 0.000 0.244 871 D C -0.010 176.085 176.300 -0.343 0.000 1.123 871 D CA 0.455 54.284 54.000 -0.284 0.000 0.719 871 D CB -0.442 40.265 40.800 -0.154 0.000 1.045 871 D HN 0.784 nan 8.370 nan 0.000 0.426 872 N N 0.727 119.133 118.700 -0.489 0.000 2.716 872 N HA -0.255 4.490 4.740 0.007 0.000 0.250 872 N C -0.729 174.667 175.510 -0.190 0.000 1.033 872 N CA 1.689 54.638 53.050 -0.168 0.000 0.727 872 N CB -0.875 37.628 38.487 0.026 0.000 0.950 872 N HN 0.801 nan 8.380 nan 0.000 0.541 873 N N -0.677 117.798 118.700 -0.375 0.000 2.859 873 N HA 0.338 5.082 4.740 0.007 0.000 0.250 873 N C -1.413 173.982 175.510 -0.192 0.000 1.341 873 N CA -0.598 52.330 53.050 -0.203 0.000 0.881 873 N CB 1.024 39.405 38.487 -0.177 0.000 1.516 873 N HN 0.006 nan 8.380 nan 0.000 0.503 874 L N 3.496 124.645 121.223 -0.124 0.000 2.282 874 L HA 0.602 4.946 4.340 0.007 0.000 0.288 874 L C -0.216 176.598 176.870 -0.094 0.000 1.033 874 L CA -0.655 54.132 54.840 -0.088 0.000 0.807 874 L CB 1.052 43.015 42.059 -0.159 0.000 1.209 874 L HN 0.480 nan 8.230 nan 0.000 0.423 875 I N -1.041 119.499 120.570 -0.049 0.000 2.934 875 I HA 0.545 4.719 4.170 0.007 0.000 0.306 875 I C -1.051 175.069 176.117 0.005 0.000 1.110 875 I CA -0.950 60.327 61.300 -0.040 0.000 1.019 875 I CB 2.344 40.311 38.000 -0.054 0.000 1.227 875 I HN 0.376 nan 8.210 nan 0.000 0.434 876 D N 3.823 124.229 120.400 0.011 0.000 2.316 876 D HA 0.343 4.987 4.640 0.007 0.000 0.245 876 D C 0.011 176.318 176.300 0.012 0.000 1.171 876 D CA -0.228 53.797 54.000 0.041 0.000 0.856 876 D CB 1.142 41.978 40.800 0.060 0.000 1.090 876 D HN 0.647 nan 8.370 nan 0.000 0.476 877 L N 3.175 124.405 121.223 0.013 0.000 2.741 877 L HA 0.084 4.428 4.340 0.007 0.000 0.237 877 L C 1.904 178.745 176.870 -0.049 0.000 1.178 877 L CA -0.076 54.747 54.840 -0.029 0.000 0.973 877 L CB -0.136 41.910 42.059 -0.022 0.000 1.255 877 L HN 0.441 nan 8.230 nan 0.000 0.498 878 S N -0.573 115.118 115.700 -0.016 0.000 2.447 878 S HA -0.038 4.437 4.470 0.007 0.000 0.233 878 S C 1.694 176.228 174.600 -0.108 0.000 1.006 878 S CA 0.919 59.110 58.200 -0.016 0.000 0.957 878 S CB 0.054 63.311 63.200 0.095 0.000 0.773 878 S HN 0.569 nan 8.310 nan 0.000 0.507 879 G N -0.211 108.507 108.800 -0.136 0.000 2.176 879 G HA2 -0.271 3.693 3.960 0.007 0.000 0.232 879 G HA3 -0.271 3.693 3.960 0.007 0.000 0.232 879 G C 0.340 175.040 174.900 -0.334 0.000 0.986 879 G CA 0.274 45.215 45.100 -0.265 0.000 0.643 879 G HN 0.597 nan 8.290 nan 0.000 0.522 880 Y N 0.823 121.081 120.300 -0.070 0.000 2.457 880 Y HA 0.397 4.955 4.550 0.013 0.000 0.263 880 Y C 2.037 177.905 175.900 -0.053 0.000 1.164 880 Y CA 0.579 58.640 58.100 -0.065 0.000 1.274 880 Y CB 0.659 39.086 38.460 -0.055 0.000 1.097 880 Y HN 0.889 nan 8.280 nan 0.000 0.523 881 G N 1.252 110.084 108.800 0.053 0.000 2.338 881 G HA2 -0.206 3.759 3.960 0.007 0.000 0.296 881 G HA3 -0.206 3.759 3.960 0.007 0.000 0.296 881 G C 0.263 175.187 174.900 0.040 0.000 1.040 881 G CA 0.027 45.141 45.100 0.023 0.000 1.004 881 G HN 0.610 nan 8.290 nan 0.000 0.509 882 A N 0.026 122.883 122.820 0.061 0.000 2.445 882 A HA 0.576 4.901 4.320 0.007 0.000 0.242 882 A C 0.770 178.373 177.584 0.032 0.000 1.075 882 A CA 0.117 52.190 52.037 0.060 0.000 0.777 882 A CB 0.490 19.544 19.000 0.089 0.000 1.013 882 A HN 0.326 nan 8.150 nan 0.000 0.493 883 K N 1.350 121.766 120.400 0.026 0.000 2.234 883 K HA 0.448 4.772 4.320 0.007 0.000 0.282 883 K C -0.992 175.606 176.600 -0.004 0.000 1.039 883 K CA -0.252 56.036 56.287 0.002 0.000 0.928 883 K CB 1.373 33.873 32.500 0.000 0.000 1.039 883 K HN 0.334 nan 8.250 nan 0.000 0.470 884 V N 3.325 123.215 119.914 -0.039 0.000 2.407 884 V HA 0.186 4.310 4.120 0.007 0.000 0.291 884 V C -0.139 175.876 176.094 -0.132 0.000 1.018 884 V CA -0.814 61.443 62.300 -0.071 0.000 0.842 884 V CB 1.672 33.443 31.823 -0.087 0.000 0.996 884 V HN 0.537 nan 8.190 nan 0.000 0.426 885 E N 3.688 123.792 120.200 -0.161 0.000 2.073 885 E HA 0.383 4.738 4.350 0.007 0.000 0.269 885 E C -0.969 175.363 176.600 -0.447 0.000 0.917 885 E CA -0.313 55.886 56.400 -0.333 0.000 0.757 885 E CB 2.114 31.601 29.700 -0.355 0.000 1.111 885 E HN 0.429 nan 8.360 nan 0.000 0.410 886 V N 5.363 125.024 119.914 -0.421 0.000 2.333 886 V HA 0.213 4.337 4.120 0.007 0.000 0.274 886 V C -0.181 175.690 176.094 -0.373 0.000 1.028 886 V CA -0.624 61.481 62.300 -0.324 0.000 0.851 886 V CB -0.186 31.500 31.823 -0.229 0.000 1.000 886 V HN 0.489 nan 8.190 nan 0.000 0.456 887 Y N 1.875 122.140 120.300 -0.059 0.000 2.299 887 Y HA 0.092 4.649 4.550 0.011 0.000 0.335 887 Y C 1.591 177.473 175.900 -0.031 0.000 1.287 887 Y CA -0.010 58.068 58.100 -0.037 0.000 1.424 887 Y CB 0.426 38.870 38.460 -0.027 0.000 1.326 887 Y HN 0.651 nan 8.280 nan 0.000 0.567 888 D N 0.888 121.371 120.400 0.138 0.000 2.203 888 D HA -0.167 4.477 4.640 0.007 0.000 0.199 888 D C 2.022 178.353 176.300 0.052 0.000 0.997 888 D CA 1.816 55.858 54.000 0.069 0.000 0.863 888 D CB -0.195 40.644 40.800 0.064 0.000 0.928 888 D HN 0.815 nan 8.370 nan 0.000 0.458 889 G N -0.803 108.035 108.800 0.063 0.000 2.920 889 G HA2 0.086 4.050 3.960 0.007 0.000 0.208 889 G HA3 0.086 4.050 3.960 0.007 0.000 0.208 889 G C 0.163 175.073 174.900 0.018 0.000 1.159 889 G CA -0.120 44.999 45.100 0.031 0.000 0.784 889 G HN 0.133 nan 8.290 nan 0.000 0.535 890 V N 0.772 120.703 119.914 0.027 0.000 2.383 890 V HA 0.251 4.375 4.120 0.007 0.000 0.275 890 V C 0.045 176.152 176.094 0.021 0.000 1.036 890 V CA -0.939 61.371 62.300 0.017 0.000 0.889 890 V CB 1.664 33.487 31.823 -0.001 0.000 0.985 890 V HN 0.299 nan 8.190 nan 0.000 0.459 891 E N 4.860 125.056 120.200 -0.006 0.000 2.259 891 E HA 0.573 4.928 4.350 0.007 0.000 0.281 891 E C -1.364 175.333 176.600 0.162 0.000 1.027 891 E CA -0.433 55.991 56.400 0.039 0.000 0.838 891 E CB 0.997 30.677 29.700 -0.035 0.000 1.066 891 E HN 0.567 nan 8.360 nan 0.000 0.401 892 L N 3.950 125.300 121.223 0.211 0.000 2.381 892 L HA 0.499 4.843 4.340 0.007 0.000 0.268 892 L C -0.605 176.395 176.870 0.216 0.000 0.997 892 L CA -1.148 53.866 54.840 0.289 0.000 0.818 892 L CB 1.850 44.099 42.059 0.317 0.000 1.310 892 L HN 0.590 nan 8.230 nan 0.000 0.416 893 N N -1.476 117.272 118.700 0.080 0.000 2.455 893 N HA 0.274 5.018 4.740 0.007 0.000 0.278 893 N C -0.393 174.694 175.510 -0.704 0.000 1.291 893 N CA -0.964 51.987 53.050 -0.165 0.000 0.780 893 N CB 0.851 39.304 38.487 -0.057 0.000 1.520 893 N HN 0.550 nan 8.380 nan 0.000 0.486 894 D N -1.006 118.929 120.400 -0.774 0.000 2.371 894 D HA -0.069 4.575 4.640 0.007 0.000 0.234 894 D C 0.164 176.197 176.300 -0.445 0.000 1.049 894 D CA 0.741 54.184 54.000 -0.929 0.000 0.907 894 D CB -0.067 40.510 40.800 -0.372 0.000 0.891 894 D HN 0.597 nan 8.370 nan 0.000 0.531 895 K N 0.005 120.195 120.400 -0.349 0.000 2.410 895 K HA 0.111 4.435 4.320 0.007 0.000 0.200 895 K C 0.089 176.517 176.600 -0.286 0.000 1.023 895 K CA -0.266 55.862 56.287 -0.265 0.000 1.149 895 K CB -0.004 32.331 32.500 -0.274 0.000 0.859 895 K HN -0.010 nan 8.250 nan 0.000 0.514 896 N N 1.909 120.474 118.700 -0.226 0.000 2.782 896 N HA -0.176 4.568 4.740 0.007 0.000 0.251 896 N C -0.982 174.515 175.510 -0.022 0.000 1.101 896 N CA 0.988 53.997 53.050 -0.069 0.000 0.764 896 N CB -0.684 37.736 38.487 -0.112 0.000 1.122 896 N HN 0.463 nan 8.380 nan 0.000 0.561 897 Q N 0.112 119.923 119.800 0.019 0.000 2.230 897 Q HA 0.587 4.931 4.340 0.007 0.000 0.253 897 Q C -0.183 176.148 176.000 0.553 0.000 0.919 897 Q CA -0.468 55.485 55.803 0.249 0.000 0.908 897 Q CB 0.934 29.806 28.738 0.223 0.000 1.245 897 Q HN 0.315 nan 8.270 nan 0.000 0.437 898 F N -1.156 119.117 119.950 0.538 0.000 2.578 898 F HA 0.626 5.157 4.527 0.007 0.000 0.311 898 F C -1.082 174.766 175.800 0.081 0.000 1.094 898 F CA -1.244 56.934 58.000 0.297 0.000 0.923 898 F CB 1.452 40.542 39.000 0.151 0.000 1.230 898 F HN 0.236 nan 8.300 nan 0.000 0.450 899 K N 4.572 124.864 120.400 -0.180 0.000 2.274 899 K HA 0.615 4.940 4.320 0.007 0.000 0.262 899 K C -1.693 174.789 176.600 -0.196 0.000 0.961 899 K CA -0.629 55.230 56.287 -0.713 0.000 0.833 899 K CB 1.277 32.786 32.500 -1.651 0.000 1.102 899 K HN 0.923 nan 8.250 nan 0.000 0.436 900 L N 4.418 125.600 121.223 -0.067 0.000 2.272 900 L HA 0.340 4.685 4.340 0.007 0.000 0.289 900 L C 0.619 177.506 176.870 0.028 0.000 1.032 900 L CA -0.616 54.263 54.840 0.064 0.000 0.810 900 L CB 1.517 43.686 42.059 0.183 0.000 1.205 900 L HN 0.825 nan 8.230 nan 0.000 0.422 901 T N -2.000 112.563 114.554 0.014 0.000 2.844 901 T HA 0.215 4.570 4.350 0.007 0.000 0.274 901 T C 1.116 175.833 174.700 0.027 0.000 0.991 901 T CA -0.006 62.114 62.100 0.033 0.000 0.983 901 T CB 1.457 70.317 68.868 -0.013 0.000 1.310 901 T HN 0.527 nan 8.240 nan 0.000 0.596 902 S N -0.373 115.337 115.700 0.017 0.000 2.555 902 S HA 0.110 4.585 4.470 0.007 0.000 0.230 902 S C 0.847 175.441 174.600 -0.010 0.000 0.978 902 S CA -0.359 57.834 58.200 -0.011 0.000 0.934 902 S CB -0.667 62.521 63.200 -0.020 0.000 0.766 902 S HN 0.606 nan 8.310 nan 0.000 0.533 903 S N 1.662 117.360 115.700 -0.004 0.000 2.562 903 S HA 0.550 5.025 4.470 0.007 0.000 0.281 903 S C 1.484 176.077 174.600 -0.012 0.000 1.333 903 S CA -0.025 58.170 58.200 -0.008 0.000 1.052 903 S CB 1.089 64.285 63.200 -0.006 0.000 0.884 903 S HN 0.588 nan 8.310 nan 0.000 0.506 904 A N 3.062 125.868 122.820 -0.024 0.000 1.978 904 A HA -0.159 4.165 4.320 0.007 0.000 0.220 904 A C 1.759 179.308 177.584 -0.057 0.000 1.170 904 A CA 1.672 53.684 52.037 -0.042 0.000 0.636 904 A CB -0.564 18.406 19.000 -0.050 0.000 0.810 904 A HN 0.867 nan 8.150 nan 0.000 0.448 905 N N -0.589 118.090 118.700 -0.036 0.000 2.383 905 N HA 0.038 4.782 4.740 0.007 0.000 0.192 905 N C 0.135 175.668 175.510 0.038 0.000 1.141 905 N CA 0.756 53.792 53.050 -0.023 0.000 0.851 905 N CB -0.382 38.110 38.487 0.008 0.000 0.976 905 N HN 0.120 nan 8.380 nan 0.000 0.465 906 S N 0.481 116.197 115.700 0.027 0.000 3.363 906 S HA 0.287 4.761 4.470 0.007 0.000 0.267 906 S C -0.574 174.072 174.600 0.075 0.000 1.288 906 S CA -0.754 57.476 58.200 0.050 0.000 0.948 906 S CB -0.548 62.669 63.200 0.028 0.000 1.397 906 S HN 0.529 nan 8.310 nan 0.000 0.493 907 K N 2.355 122.828 120.400 0.122 0.000 2.579 907 K HA 0.587 4.911 4.320 0.007 0.000 0.284 907 K C -1.654 175.085 176.600 0.231 0.000 0.990 907 K CA -1.009 55.370 56.287 0.153 0.000 0.880 907 K CB 0.970 33.519 32.500 0.081 0.000 1.488 907 K HN 0.307 nan 8.250 nan 0.000 0.425 908 I N 1.063 121.745 120.570 0.187 0.000 2.498 908 I HA 0.427 4.602 4.170 0.007 0.000 0.290 908 I C -0.708 175.541 176.117 0.220 0.000 1.032 908 I CA -0.874 60.474 61.300 0.080 0.000 1.073 908 I CB 2.178 39.999 38.000 -0.298 0.000 1.251 908 I HN 0.551 nan 8.210 nan 0.000 0.426 909 R N 5.867 126.480 120.500 0.188 0.000 2.310 909 R HA 0.693 5.037 4.340 0.007 0.000 0.324 909 R C -1.837 174.531 176.300 0.113 0.000 0.955 909 R CA -0.446 55.767 56.100 0.187 0.000 0.830 909 R CB 1.615 32.066 30.300 0.252 0.000 1.154 909 R HN 0.477 nan 8.270 nan 0.000 0.458 910 V N 3.942 123.944 119.914 0.145 0.000 2.409 910 V HA 0.300 4.424 4.120 0.007 0.000 0.291 910 V C -0.230 175.927 176.094 0.104 0.000 1.020 910 V CA -0.594 61.784 62.300 0.129 0.000 0.848 910 V CB 1.991 33.949 31.823 0.225 0.000 0.990 910 V HN 0.771 nan 8.190 nan 0.000 0.430 911 T N 5.694 120.293 114.554 0.075 0.000 2.781 911 T HA 0.339 4.693 4.350 0.007 0.000 0.305 911 T C 0.005 174.747 174.700 0.070 0.000 1.001 911 T CA -0.356 61.781 62.100 0.061 0.000 0.950 911 T CB 0.456 69.348 68.868 0.040 0.000 0.955 911 T HN 0.675 nan 8.240 nan 0.000 0.471 912 Q N 2.345 122.198 119.800 0.087 0.000 2.417 912 Q HA 0.177 4.521 4.340 0.007 0.000 0.241 912 Q C 0.523 176.559 176.000 0.059 0.000 1.008 912 Q CA -0.683 55.173 55.803 0.089 0.000 0.901 912 Q CB 0.620 29.434 28.738 0.126 0.000 1.259 912 Q HN 0.444 nan 8.270 nan 0.000 0.489 913 N N 1.543 120.266 118.700 0.039 0.000 2.452 913 N HA -0.074 4.670 4.740 0.007 0.000 0.266 913 N C 0.207 175.730 175.510 0.022 0.000 1.175 913 N CA 0.292 53.358 53.050 0.026 0.000 0.945 913 N CB 0.837 39.336 38.487 0.020 0.000 1.063 913 N HN 0.479 nan 8.380 nan 0.000 0.472 914 Q N 1.975 121.797 119.800 0.037 0.000 2.444 914 Q HA 0.075 4.420 4.340 0.007 0.000 0.206 914 Q C -0.238 175.796 176.000 0.056 0.000 0.948 914 Q CA 0.530 56.364 55.803 0.052 0.000 0.946 914 Q CB 0.147 28.912 28.738 0.045 0.000 1.027 914 Q HN 0.559 nan 8.270 nan 0.000 0.513 915 N N 0.527 119.250 118.700 0.039 0.000 2.380 915 N HA 0.224 4.969 4.740 0.007 0.000 0.255 915 N C -0.234 175.305 175.510 0.048 0.000 1.158 915 N CA 0.084 53.167 53.050 0.054 0.000 0.878 915 N CB 1.034 39.545 38.487 0.040 0.000 1.138 915 N HN 0.207 nan 8.380 nan 0.000 0.509 916 I N 1.003 121.574 120.570 0.001 0.000 2.404 916 I HA 0.337 4.511 4.170 0.007 0.000 0.293 916 I C 0.568 176.721 176.117 0.060 0.000 0.992 916 I CA -0.839 60.421 61.300 -0.068 0.000 1.149 916 I CB 2.021 39.807 38.000 -0.356 0.000 1.315 916 I HN -0.192 nan 8.210 nan 0.000 0.446 917 I N 6.343 126.980 120.570 0.111 0.000 2.725 917 I HA -0.088 4.086 4.170 0.007 0.000 0.296 917 I C 0.673 176.915 176.117 0.209 0.000 1.155 917 I CA 0.955 62.363 61.300 0.180 0.000 1.450 917 I CB -0.241 37.879 38.000 0.199 0.000 1.478 917 I HN 0.719 nan 8.210 nan 0.000 0.642 918 F N 5.699 125.659 119.950 0.017 0.000 2.490 918 F HA 0.054 4.587 4.527 0.010 0.000 0.280 918 F C 1.516 177.303 175.800 -0.022 0.000 1.030 918 F CA -0.417 57.570 58.000 -0.022 0.000 1.367 918 F CB 0.488 39.453 39.000 -0.059 0.000 1.131 918 F HN 0.488 nan 8.300 nan 0.000 0.632 919 N N 1.993 120.750 118.700 0.096 0.000 3.193 919 N HA -0.061 4.683 4.740 0.007 0.000 0.312 919 N C 0.720 176.276 175.510 0.076 0.000 1.261 919 N CA 0.678 53.712 53.050 -0.026 0.000 1.208 919 N CB 0.124 38.590 38.487 -0.034 0.000 1.471 919 N HN 0.218 nan 8.380 nan 0.000 0.548 920 S N -0.770 115.007 115.700 0.127 0.000 2.559 920 S HA -0.117 4.358 4.470 0.007 0.000 0.250 920 S C 0.865 175.666 174.600 0.334 0.000 0.977 920 S CA 0.163 58.517 58.200 0.256 0.000 0.958 920 S CB -0.600 62.836 63.200 0.393 0.000 0.751 920 S HN 0.376 nan 8.310 nan 0.000 0.534 921 V N 0.100 120.146 119.914 0.220 0.000 6.401 921 V HA -0.196 3.928 4.120 0.007 0.000 0.347 921 V C 0.013 176.336 176.094 0.381 0.000 0.414 921 V CA 1.172 63.602 62.300 0.216 0.000 0.702 921 V CB -3.056 28.860 31.823 0.155 0.000 0.288 921 V HN 1.154 nan 8.190 nan 0.000 1.264 922 F N -2.345 117.628 119.950 0.039 0.000 3.464 922 F HA 0.524 5.055 4.527 0.007 0.000 0.378 922 F C -0.675 175.170 175.800 0.076 0.000 1.138 922 F CA -0.132 57.898 58.000 0.049 0.000 0.662 922 F CB -0.252 38.776 39.000 0.047 0.000 1.915 922 F HN 0.854 nan 8.300 nan 0.000 0.443 923 L N 2.643 123.582 121.223 -0.474 0.000 2.626 923 L HA 0.061 4.405 4.340 0.007 0.000 0.571 923 L C -1.196 175.302 176.870 -0.618 0.000 1.001 923 L CA 1.047 55.669 54.840 -0.363 0.000 1.280 923 L CB -0.614 41.404 42.059 -0.068 0.000 1.779 923 L HN 0.761 nan 8.230 nan 0.000 0.887 924 D N 5.386 125.601 120.400 -0.308 0.000 2.351 924 D HA 0.603 5.248 4.640 0.007 0.000 0.235 924 D C -0.904 175.556 176.300 0.267 0.000 1.331 924 D CA 0.348 54.245 54.000 -0.172 0.000 0.959 924 D CB 0.349 40.916 40.800 -0.388 0.000 1.432 924 D HN 0.544 nan 8.370 nan 0.000 0.544 925 F N -0.214 119.732 119.950 -0.008 0.000 2.741 925 F HA 0.790 5.320 4.527 0.006 0.000 0.311 925 F C -1.576 174.201 175.800 -0.038 0.000 1.149 925 F CA -0.814 57.239 58.000 0.087 0.000 0.930 925 F CB 1.197 40.415 39.000 0.363 0.000 1.312 925 F HN 0.001 nan 8.300 nan 0.000 0.450 926 S N 0.957 116.555 115.700 -0.169 0.000 2.570 926 S HA 0.850 5.324 4.470 0.007 0.000 0.286 926 S C -1.462 173.000 174.600 -0.231 0.000 1.099 926 S CA -0.813 57.152 58.200 -0.391 0.000 0.913 926 S CB 2.200 65.199 63.200 -0.335 0.000 1.085 926 S HN 0.644 nan 8.310 nan 0.000 0.480 927 V N 2.287 121.960 119.914 -0.402 0.000 2.638 927 V HA 0.793 4.917 4.120 0.007 0.000 0.306 927 V C -0.537 175.410 176.094 -0.245 0.000 1.052 927 V CA -0.623 61.516 62.300 -0.268 0.000 0.885 927 V CB 1.837 33.469 31.823 -0.318 0.000 0.999 927 V HN 1.001 nan 8.190 nan 0.000 0.424 928 S N 4.425 120.055 115.700 -0.116 0.000 2.548 928 S HA 0.992 5.466 4.470 0.007 0.000 0.286 928 S C -1.027 173.668 174.600 0.157 0.000 1.098 928 S CA -0.638 57.467 58.200 -0.159 0.000 0.930 928 S CB 2.296 65.501 63.200 0.007 0.000 1.070 928 S HN 1.325 nan 8.310 nan 0.000 0.480 929 F N -2.162 117.826 119.950 0.064 0.000 2.799 929 F HA 0.781 5.312 4.527 0.006 0.000 0.316 929 F C -2.369 173.660 175.800 0.382 0.000 1.155 929 F CA -1.670 56.571 58.000 0.403 0.000 0.916 929 F CB 0.166 39.483 39.000 0.529 0.000 1.294 929 F HN 0.632 nan 8.300 nan 0.000 0.447 930 W N 2.751 124.463 121.300 0.687 0.000 2.512 930 W HA 0.821 5.485 4.660 0.007 0.000 0.335 930 W C -0.721 176.227 176.519 0.714 0.000 1.088 930 W CA -0.840 56.866 57.345 0.601 0.000 1.236 930 W CB 1.784 31.527 29.460 0.472 0.000 1.307 930 W HN 0.727 nan 8.180 nan 0.000 0.567 931 I N 1.655 122.629 120.570 0.673 0.000 2.913 931 I HA 0.522 4.696 4.170 0.007 0.000 0.302 931 I C -1.213 174.826 176.117 -0.131 0.000 1.246 931 I CA -1.388 60.106 61.300 0.323 0.000 1.010 931 I CB 2.082 40.223 38.000 0.235 0.000 1.259 931 I HN 0.457 nan 8.210 nan 0.000 0.434 932 R N 6.998 127.295 120.500 -0.338 0.000 2.507 932 R HA 0.590 4.935 4.340 0.007 0.000 0.298 932 R C -1.923 174.319 176.300 -0.096 0.000 1.087 932 R CA -0.429 55.409 56.100 -0.437 0.000 0.917 932 R CB 1.127 30.748 30.300 -1.131 0.000 1.173 932 R HN 0.549 nan 8.270 nan 0.000 0.472 933 I N 6.711 127.301 120.570 0.032 0.000 2.321 933 I HA 0.381 4.555 4.170 0.007 0.000 0.291 933 I C -1.799 174.365 176.117 0.079 0.000 0.998 933 I CA -2.416 58.957 61.300 0.121 0.000 1.227 933 I CB 1.675 39.858 38.000 0.305 0.000 1.368 933 I HN 0.407 nan 8.210 nan 0.000 0.466 934 P HA -0.008 nan 4.420 nan 0.000 0.269 934 P C -0.663 176.582 177.300 -0.092 0.000 1.215 934 P CA -0.351 62.641 63.100 -0.179 0.000 0.780 934 P CB 0.883 32.236 31.700 -0.579 0.000 0.898 935 K N 2.460 122.731 120.400 -0.215 0.000 2.319 935 K HA 0.025 4.349 4.320 0.007 0.000 0.265 935 K C 0.064 176.292 176.600 -0.620 0.000 1.000 935 K CA -0.337 55.634 56.287 -0.528 0.000 0.943 935 K CB -0.015 31.884 32.500 -1.002 0.000 0.950 935 K HN 0.382 nan 8.250 nan 0.000 0.485 936 Y N 0.981 120.968 120.300 -0.522 0.000 2.550 936 Y HA 0.151 4.705 4.550 0.007 0.000 0.343 936 Y C -0.071 175.561 175.900 -0.447 0.000 1.245 936 Y CA -0.724 56.943 58.100 -0.722 0.000 1.462 936 Y CB 0.218 37.804 38.460 -1.456 0.000 1.340 936 Y HN 0.191 nan 8.280 nan 0.000 0.604 937 K N 2.805 123.135 120.400 -0.117 0.000 2.258 937 K HA 0.099 4.423 4.320 0.007 0.000 0.284 937 K C 0.329 176.954 176.600 0.042 0.000 1.051 937 K CA -0.314 55.930 56.287 -0.072 0.000 0.923 937 K CB 0.894 33.376 32.500 -0.030 0.000 1.046 937 K HN 0.768 nan 8.250 nan 0.000 0.474 938 N N 2.072 120.816 118.700 0.074 0.000 2.094 938 N HA -0.203 4.541 4.740 0.007 0.000 0.191 938 N C 0.768 176.343 175.510 0.108 0.000 1.023 938 N CA 1.589 54.729 53.050 0.150 0.000 0.857 938 N CB -0.052 38.581 38.487 0.245 0.000 1.013 938 N HN 0.627 nan 8.380 nan 0.000 0.426 939 D N -1.326 119.122 120.400 0.079 0.000 2.336 939 D HA 0.076 4.720 4.640 0.007 0.000 0.229 939 D C 0.935 177.264 176.300 0.048 0.000 1.061 939 D CA 0.198 54.237 54.000 0.065 0.000 0.875 939 D CB -0.546 40.285 40.800 0.053 0.000 0.904 939 D HN 0.200 nan 8.370 nan 0.000 0.525 940 G N -0.065 108.762 108.800 0.044 0.000 4.238 940 G HA2 0.139 4.104 3.960 0.007 0.000 0.292 940 G HA3 0.139 4.104 3.960 0.007 0.000 0.292 940 G C 0.720 175.656 174.900 0.059 0.000 1.036 940 G CA -0.339 44.789 45.100 0.046 0.000 0.812 940 G HN 0.173 nan 8.290 nan 0.000 0.489 941 I N 0.128 120.714 120.570 0.028 0.000 2.315 941 I HA -0.087 4.087 4.170 0.007 0.000 0.248 941 I C 2.420 178.554 176.117 0.029 0.000 1.117 941 I CA 1.405 62.697 61.300 -0.014 0.000 1.404 941 I CB 0.199 38.143 38.000 -0.094 0.000 1.071 941 I HN 0.090 nan 8.210 nan 0.000 0.419 942 Q N 0.467 120.285 119.800 0.030 0.000 2.050 942 Q HA -0.184 4.160 4.340 0.007 0.000 0.202 942 Q C 2.094 178.111 176.000 0.029 0.000 0.980 942 Q CA 1.607 57.411 55.803 0.001 0.000 0.840 942 Q CB -0.766 27.977 28.738 0.008 0.000 0.898 942 Q HN 0.548 nan 8.270 nan 0.000 0.424 943 N N 0.051 118.787 118.700 0.060 0.000 2.188 943 N HA -0.152 4.592 4.740 0.007 0.000 0.184 943 N C 1.658 177.236 175.510 0.112 0.000 1.018 943 N CA 0.837 53.939 53.050 0.086 0.000 0.858 943 N CB -0.476 38.048 38.487 0.063 0.000 0.989 943 N HN 0.325 nan 8.380 nan 0.000 0.426 944 Y N 2.313 122.607 120.300 -0.011 0.000 2.097 944 Y HA -0.168 4.386 4.550 0.007 0.000 0.282 944 Y C 2.210 178.086 175.900 -0.040 0.000 1.152 944 Y CA 1.731 59.829 58.100 -0.003 0.000 1.136 944 Y CB -0.361 38.104 38.460 0.009 0.000 0.975 944 Y HN 0.102 nan 8.280 nan 0.000 0.498 945 I N -2.355 118.207 120.570 -0.014 0.000 2.928 945 I HA -0.054 4.120 4.170 0.007 0.000 0.266 945 I C 2.019 178.038 176.117 -0.163 0.000 1.234 945 I CA 1.676 62.851 61.300 -0.209 0.000 1.483 945 I CB -0.564 37.248 38.000 -0.314 0.000 1.097 945 I HN 0.195 nan 8.210 nan 0.000 0.455 946 H N 1.555 120.531 119.070 -0.158 0.000 2.418 946 H HA 0.239 4.799 4.556 0.007 0.000 0.300 946 H C 0.358 175.631 175.328 -0.093 0.000 1.041 946 H CA 0.477 56.453 56.048 -0.121 0.000 1.364 946 H CB 0.331 30.044 29.762 -0.082 0.000 1.439 946 H HN 0.230 nan 8.280 nan 0.000 0.540 947 N N 2.334 121.010 118.700 -0.041 0.000 2.415 947 N HA 0.011 4.755 4.740 0.007 0.000 0.246 947 N C -0.672 174.836 175.510 -0.004 0.000 1.078 947 N CA -0.015 53.010 53.050 -0.042 0.000 0.942 947 N CB 0.949 39.461 38.487 0.042 0.000 1.140 947 N HN 0.544 nan 8.380 nan 0.000 0.501 948 E N 2.753 122.905 120.200 -0.080 0.000 2.338 948 E HA 0.120 4.475 4.350 0.007 0.000 0.272 948 E C -1.081 175.549 176.600 0.050 0.000 1.029 948 E CA -0.506 55.846 56.400 -0.081 0.000 0.872 948 E CB 0.457 30.063 29.700 -0.157 0.000 1.015 948 E HN 0.509 nan 8.360 nan 0.000 0.417 949 Y N 0.266 120.515 120.300 -0.085 0.000 2.457 949 Y HA 0.435 4.989 4.550 0.007 0.000 0.343 949 Y C -0.526 175.353 175.900 -0.035 0.000 0.994 949 Y CA -1.246 56.820 58.100 -0.056 0.000 1.031 949 Y CB 1.114 39.548 38.460 -0.044 0.000 1.246 949 Y HN 0.159 nan 8.280 nan 0.000 0.449 950 T N 4.455 119.032 114.554 0.039 0.000 2.913 950 T HA 0.268 4.623 4.350 0.007 0.000 0.297 950 T C 1.143 175.868 174.700 0.042 0.000 1.029 950 T CA 0.076 62.164 62.100 -0.021 0.000 1.104 950 T CB 0.672 69.523 68.868 -0.028 0.000 0.964 950 T HN 0.830 nan 8.240 nan 0.000 0.532 951 I N -0.724 119.846 120.570 0.001 0.000 4.433 951 I HA 0.514 4.689 4.170 0.007 0.000 0.322 951 I C -0.166 175.931 176.117 -0.034 0.000 1.284 951 I CA 0.026 61.358 61.300 0.052 0.000 1.269 951 I CB 0.626 38.670 38.000 0.074 0.000 1.219 951 I HN 0.350 nan 8.210 nan 0.000 0.436 952 I N 2.341 122.849 120.570 -0.104 0.000 2.548 952 I HA 0.353 4.527 4.170 0.007 0.000 0.287 952 I C -1.339 174.644 176.117 -0.223 0.000 1.103 952 I CA -0.360 60.766 61.300 -0.290 0.000 1.049 952 I CB 2.004 39.798 38.000 -0.342 0.000 1.232 952 I HN 0.179 nan 8.210 nan 0.000 0.429 953 N N 5.427 123.928 118.700 -0.331 0.000 2.296 953 N HA 0.462 5.206 4.740 0.007 0.000 0.294 953 N C -1.776 173.411 175.510 -0.538 0.000 1.033 953 N CA -0.336 52.500 53.050 -0.357 0.000 0.839 953 N CB 2.506 40.854 38.487 -0.231 0.000 1.395 953 N HN 0.633 nan 8.380 nan 0.000 0.479 954 C N 6.891 125.707 119.300 -0.808 0.000 2.534 954 C HA 0.578 5.042 4.460 0.007 0.000 0.309 954 C C -1.082 173.512 174.990 -0.659 0.000 1.072 954 C CA -0.469 58.005 59.018 -0.906 0.000 1.441 954 C CB -0.730 25.943 27.740 -1.778 0.000 1.906 954 C HN 0.648 nan 8.230 nan 0.000 0.429 955 M N 4.048 123.421 119.600 -0.379 0.000 2.591 955 M HA 0.580 5.064 4.480 0.007 0.000 0.306 955 M C -0.879 175.317 176.300 -0.174 0.000 1.190 955 M CA -0.387 54.758 55.300 -0.258 0.000 0.889 955 M CB 2.193 34.671 32.600 -0.203 0.000 1.728 955 M HN 0.651 nan 8.290 nan 0.000 0.458 956 K N 2.008 122.327 120.400 -0.135 0.000 2.589 956 K HA 0.315 4.639 4.320 0.007 0.000 0.253 956 K C -0.808 175.747 176.600 -0.076 0.000 0.974 956 K CA -0.200 56.031 56.287 -0.092 0.000 0.835 956 K CB 0.837 33.291 32.500 -0.078 0.000 1.272 956 K HN 0.755 nan 8.250 nan 0.000 0.444 957 N N 3.885 122.548 118.700 -0.062 0.000 2.754 957 N HA -0.196 4.548 4.740 0.007 0.000 0.248 957 N C -0.995 174.482 175.510 -0.055 0.000 1.093 957 N CA 1.224 54.243 53.050 -0.051 0.000 0.699 957 N CB -1.133 37.328 38.487 -0.043 0.000 1.016 957 N HN 0.982 nan 8.380 nan 0.000 0.552 958 N N -1.944 116.716 118.700 -0.066 0.000 2.741 958 N HA -0.193 4.552 4.740 0.007 0.000 0.250 958 N C -0.542 174.925 175.510 -0.071 0.000 1.115 958 N CA 1.517 54.527 53.050 -0.067 0.000 0.724 958 N CB -1.066 37.390 38.487 -0.052 0.000 1.090 958 N HN 0.594 nan 8.380 nan 0.000 0.558 959 S N -1.362 114.289 115.700 -0.082 0.000 2.541 959 S HA 0.846 5.320 4.470 0.007 0.000 0.280 959 S C 0.238 174.771 174.600 -0.112 0.000 1.112 959 S CA 0.450 58.602 58.200 -0.080 0.000 0.925 959 S CB 2.248 65.410 63.200 -0.063 0.000 1.067 959 S HN 0.791 nan 8.310 nan 0.000 0.479 960 G N 2.715 111.455 108.800 -0.101 0.000 2.373 960 G HA2 0.241 4.206 3.960 0.007 0.000 0.250 960 G HA3 0.241 4.206 3.960 0.007 0.000 0.250 960 G C -1.815 173.049 174.900 -0.061 0.000 1.304 960 G CA -0.123 44.895 45.100 -0.138 0.000 0.948 960 G HN 1.069 nan 8.290 nan 0.000 0.474 961 W N 0.360 121.560 121.300 -0.167 0.000 3.029 961 W HA 0.839 5.502 4.660 0.005 0.000 0.339 961 W C -0.820 175.515 176.519 -0.307 0.000 1.198 961 W CA -0.925 56.213 57.345 -0.346 0.000 1.148 961 W CB 1.520 30.741 29.460 -0.398 0.000 1.451 961 W HN 1.055 nan 8.180 nan 0.000 0.564 962 K N 0.444 120.788 120.400 -0.093 0.000 2.568 962 K HA 0.733 5.058 4.320 0.007 0.000 0.273 962 K C -2.032 174.626 176.600 0.096 0.000 0.951 962 K CA -0.911 55.371 56.287 -0.007 0.000 0.854 962 K CB 2.324 34.749 32.500 -0.125 0.000 1.424 962 K HN 0.536 nan 8.250 nan 0.000 0.427 963 I N 2.436 123.140 120.570 0.223 0.000 2.389 963 I HA 0.319 4.493 4.170 0.007 0.000 0.288 963 I C -0.496 175.680 176.117 0.099 0.000 0.999 963 I CA -0.449 61.025 61.300 0.291 0.000 1.129 963 I CB 2.018 40.259 38.000 0.402 0.000 1.288 963 I HN 0.908 nan 8.210 nan 0.000 0.444 964 S N 6.607 122.336 115.700 0.050 0.000 2.667 964 S HA 0.806 5.281 4.470 0.007 0.000 0.292 964 S C -0.786 173.703 174.600 -0.184 0.000 1.126 964 S CA -0.820 57.317 58.200 -0.106 0.000 0.881 964 S CB 2.331 65.460 63.200 -0.119 0.000 1.132 964 S HN 0.438 nan 8.310 nan 0.000 0.492 965 I N 0.535 120.813 120.570 -0.486 0.000 2.619 965 I HA 0.525 4.699 4.170 0.007 0.000 0.292 965 I C -0.452 175.315 176.117 -0.583 0.000 1.100 965 I CA -0.543 60.432 61.300 -0.541 0.000 1.043 965 I CB 2.399 39.982 38.000 -0.696 0.000 1.239 965 I HN 0.677 nan 8.210 nan 0.000 0.420 966 R N 4.289 124.565 120.500 -0.372 0.000 2.472 966 R HA 0.510 4.855 4.340 0.007 0.000 0.294 966 R C 0.434 176.474 176.300 -0.434 0.000 1.243 966 R CA 0.381 56.283 56.100 -0.330 0.000 1.023 966 R CB 1.107 31.220 30.300 -0.311 0.000 1.157 966 R HN 0.960 nan 8.270 nan 0.000 0.530 967 G N 3.777 112.234 108.800 -0.571 0.000 2.602 967 G HA2 -0.456 3.508 3.960 0.007 0.000 0.310 967 G HA3 -0.456 3.508 3.960 0.007 0.000 0.310 967 G C 0.312 174.761 174.900 -0.753 0.000 1.183 967 G CA 0.562 44.874 45.100 -1.312 0.000 0.979 967 G HN 0.730 nan 8.290 nan 0.000 0.545 968 N N 1.354 119.722 118.700 -0.553 0.000 2.313 968 N HA 0.090 4.835 4.740 0.007 0.000 0.207 968 N C 0.687 175.670 175.510 -0.879 0.000 1.141 968 N CA 0.716 53.359 53.050 -0.679 0.000 0.830 968 N CB 0.353 38.532 38.487 -0.514 0.000 1.008 968 N HN 0.854 nan 8.380 nan 0.000 0.481 969 R N 0.483 120.691 120.500 -0.487 0.000 2.534 969 R HA 0.493 4.837 4.340 0.007 0.000 0.301 969 R C -1.350 174.881 176.300 -0.115 0.000 0.961 969 R CA -0.709 55.197 56.100 -0.322 0.000 0.871 969 R CB 1.380 31.461 30.300 -0.366 0.000 1.170 969 R HN 0.175 nan 8.270 nan 0.000 0.446 970 I N 5.740 126.366 120.570 0.093 0.000 2.377 970 I HA 0.420 4.594 4.170 0.007 0.000 0.293 970 I C -1.171 175.096 176.117 0.249 0.000 0.987 970 I CA -0.860 60.563 61.300 0.205 0.000 1.185 970 I CB 1.133 39.376 38.000 0.404 0.000 1.341 970 I HN 0.631 nan 8.210 nan 0.000 0.455 971 I N 7.542 128.231 120.570 0.198 0.000 2.509 971 I HA 0.309 4.483 4.170 0.007 0.000 0.293 971 I C -1.091 175.221 176.117 0.324 0.000 1.020 971 I CA -0.468 60.978 61.300 0.243 0.000 1.088 971 I CB 1.735 39.791 38.000 0.094 0.000 1.267 971 I HN 0.606 nan 8.210 nan 0.000 0.430 972 W N 6.446 127.837 121.300 0.151 0.000 2.429 972 W HA 0.559 5.222 4.660 0.006 0.000 0.314 972 W C -1.473 175.123 176.519 0.129 0.000 1.062 972 W CA -0.384 57.048 57.345 0.145 0.000 1.211 972 W CB 1.925 31.445 29.460 0.101 0.000 1.305 972 W HN 0.413 nan 8.180 nan 0.000 0.476 973 T N 6.904 121.188 114.554 -0.450 0.000 2.848 973 T HA 0.526 4.880 4.350 0.007 0.000 0.285 973 T C -0.399 174.007 174.700 -0.491 0.000 0.995 973 T CA -0.529 61.361 62.100 -0.349 0.000 0.970 973 T CB 1.782 70.551 68.868 -0.165 0.000 0.976 973 T HN 0.297 nan 8.240 nan 0.000 0.441 974 L N 3.357 124.419 121.223 -0.268 0.000 2.334 974 L HA 0.700 5.044 4.340 0.007 0.000 0.273 974 L C -0.708 176.123 176.870 -0.064 0.000 1.013 974 L CA -1.035 53.727 54.840 -0.130 0.000 0.816 974 L CB 1.711 43.773 42.059 0.005 0.000 1.278 974 L HN 0.521 nan 8.230 nan 0.000 0.431 975 I N 1.655 122.199 120.570 -0.043 0.000 2.497 975 I HA 0.190 4.365 4.170 0.007 0.000 0.284 975 I C -0.965 175.137 176.117 -0.026 0.000 1.060 975 I CA -0.758 60.517 61.300 -0.040 0.000 1.071 975 I CB 1.943 39.906 38.000 -0.063 0.000 1.216 975 I HN 0.600 nan 8.210 nan 0.000 0.442 976 D N 5.776 126.168 120.400 -0.014 0.000 2.383 976 D HA 0.152 4.797 4.640 0.007 0.000 0.248 976 D C 1.466 177.754 176.300 -0.021 0.000 1.170 976 D CA -0.645 53.348 54.000 -0.011 0.000 0.977 976 D CB 0.956 41.758 40.800 0.002 0.000 1.120 976 D HN 0.625 nan 8.370 nan 0.000 0.481 977 I N -2.464 118.093 120.570 -0.021 0.000 2.479 977 I HA -0.273 3.901 4.170 0.007 0.000 0.258 977 I C 0.666 176.772 176.117 -0.018 0.000 1.165 977 I CA 1.209 62.495 61.300 -0.023 0.000 1.422 977 I CB -0.559 37.429 38.000 -0.019 0.000 1.087 977 I HN 0.177 nan 8.210 nan 0.000 0.441 978 N N 1.341 120.033 118.700 -0.013 0.000 2.422 978 N HA 0.087 4.832 4.740 0.007 0.000 0.181 978 N C 1.591 177.093 175.510 -0.014 0.000 1.080 978 N CA 1.160 54.204 53.050 -0.010 0.000 0.893 978 N CB 0.773 39.258 38.487 -0.004 0.000 0.973 978 N HN 0.682 nan 8.380 nan 0.000 0.456 979 G N 1.148 109.937 108.800 -0.018 0.000 2.176 979 G HA2 -0.274 3.691 3.960 0.007 0.000 0.232 979 G HA3 -0.274 3.691 3.960 0.007 0.000 0.232 979 G C 0.113 175.002 174.900 -0.019 0.000 0.986 979 G CA -0.113 44.974 45.100 -0.023 0.000 0.643 979 G HN 0.368 nan 8.290 nan 0.000 0.522 980 K N 1.301 121.694 120.400 -0.011 0.000 2.412 980 K HA 0.468 4.793 4.320 0.007 0.000 0.281 980 K C -0.258 176.337 176.600 -0.009 0.000 1.027 980 K CA 0.553 56.836 56.287 -0.006 0.000 0.989 980 K CB 0.245 32.746 32.500 0.002 0.000 0.935 980 K HN 0.112 nan 8.250 nan 0.000 0.475 981 T N 4.321 118.870 114.554 -0.009 0.000 2.885 981 T HA 0.444 4.799 4.350 0.007 0.000 0.285 981 T C -1.037 173.664 174.700 0.002 0.000 1.019 981 T CA -0.936 61.156 62.100 -0.013 0.000 1.010 981 T CB 1.386 70.239 68.868 -0.025 0.000 1.022 981 T HN 0.384 nan 8.240 nan 0.000 0.466 982 K N 1.459 121.862 120.400 0.005 0.000 2.498 982 K HA 0.733 5.058 4.320 0.007 0.000 0.254 982 K C -1.110 175.512 176.600 0.037 0.000 0.933 982 K CA -0.702 55.603 56.287 0.030 0.000 0.806 982 K CB 2.528 35.056 32.500 0.048 0.000 1.301 982 K HN 0.614 nan 8.250 nan 0.000 0.432 983 S N 0.116 115.861 115.700 0.075 0.000 2.595 983 S HA 0.659 5.134 4.470 0.007 0.000 0.281 983 S C -1.442 173.263 174.600 0.174 0.000 1.117 983 S CA -0.781 57.492 58.200 0.122 0.000 0.873 983 S CB 2.574 65.844 63.200 0.116 0.000 1.108 983 S HN 0.332 nan 8.310 nan 0.000 0.477 984 V N 3.237 123.294 119.914 0.238 0.000 2.851 984 V HA 0.878 5.002 4.120 0.007 0.000 0.307 984 V C -2.045 174.187 176.094 0.230 0.000 1.129 984 V CA -0.753 61.632 62.300 0.141 0.000 0.932 984 V CB 1.414 33.296 31.823 0.099 0.000 1.024 984 V HN 0.868 nan 8.190 nan 0.000 0.426 985 F N 4.842 124.842 119.950 0.083 0.000 2.664 985 F HA 0.878 5.409 4.527 0.007 0.000 0.317 985 F C -1.820 174.051 175.800 0.118 0.000 1.108 985 F CA -1.553 56.504 58.000 0.094 0.000 0.957 985 F CB 1.761 40.778 39.000 0.028 0.000 1.365 985 F HN 0.517 nan 8.300 nan 0.000 0.475 986 F N 1.808 121.883 119.950 0.209 0.000 2.507 986 F HA 0.554 5.085 4.527 0.007 0.000 0.328 986 F C -1.099 174.791 175.800 0.149 0.000 1.136 986 F CA -0.762 57.274 58.000 0.060 0.000 0.930 986 F CB 1.603 40.585 39.000 -0.030 0.000 1.166 986 F HN 0.791 nan 8.300 nan 0.000 0.436 987 E N 6.500 126.378 120.200 -0.536 0.000 2.199 987 E HA 0.331 4.685 4.350 0.007 0.000 0.265 987 E C -1.688 174.387 176.600 -0.875 0.000 0.882 987 E CA -0.820 55.215 56.400 -0.609 0.000 0.759 987 E CB 1.231 30.808 29.700 -0.205 0.000 1.148 987 E HN 0.609 nan 8.360 nan 0.000 0.412 988 Y N 1.868 121.741 120.300 -0.711 0.000 2.352 988 Y HA 0.435 4.989 4.550 0.007 0.000 0.326 988 Y C 0.047 175.884 175.900 -0.106 0.000 1.166 988 Y CA -1.421 56.390 58.100 -0.481 0.000 1.182 988 Y CB 0.356 38.583 38.460 -0.388 0.000 1.216 988 Y HN 0.399 nan 8.280 nan 0.000 0.474 989 N N 2.188 120.994 118.700 0.178 0.000 2.492 989 N HA 0.149 4.893 4.740 0.007 0.000 0.262 989 N C 0.082 175.771 175.510 0.298 0.000 1.202 989 N CA -0.103 53.056 53.050 0.180 0.000 0.926 989 N CB 0.338 38.930 38.487 0.175 0.000 1.078 989 N HN 0.799 nan 8.380 nan 0.000 0.454 990 I N -0.251 120.456 120.570 0.230 0.000 3.762 990 I HA 0.383 4.557 4.170 0.007 0.000 0.333 990 I C 0.287 176.532 176.117 0.214 0.000 1.566 990 I CA -0.321 61.155 61.300 0.294 0.000 1.129 990 I CB 0.279 38.413 38.000 0.223 0.000 1.218 990 I HN 0.389 nan 8.210 nan 0.000 0.456 991 R N 0.731 121.348 120.500 0.195 0.000 2.572 991 R HA 0.285 4.630 4.340 0.007 0.000 0.370 991 R C -0.251 176.160 176.300 0.185 0.000 1.005 991 R CA -0.300 55.894 56.100 0.157 0.000 1.146 991 R CB 0.675 31.036 30.300 0.102 0.000 1.390 991 R HN 0.317 nan 8.270 nan 0.000 0.553 992 E N 1.184 121.523 120.200 0.232 0.000 2.366 992 E HA -0.008 4.346 4.350 0.007 0.000 0.266 992 E C 0.165 176.919 176.600 0.257 0.000 1.051 992 E CA 0.026 56.559 56.400 0.222 0.000 0.884 992 E CB 0.984 30.822 29.700 0.230 0.000 1.006 992 E HN -0.002 nan 8.360 nan 0.000 0.417 993 D N 0.785 121.313 120.400 0.214 0.000 2.117 993 D HA -0.067 4.577 4.640 0.007 0.000 0.197 993 D C 0.389 176.849 176.300 0.267 0.000 0.987 993 D CA 1.280 55.418 54.000 0.229 0.000 0.829 993 D CB 0.341 41.247 40.800 0.178 0.000 0.961 993 D HN 0.259 nan 8.370 nan 0.000 0.460 994 I N 0.264 120.974 120.570 0.234 0.000 2.500 994 I HA 0.110 4.284 4.170 0.007 0.000 0.286 994 I C -0.247 175.975 176.117 0.174 0.000 1.063 994 I CA -0.525 60.897 61.300 0.205 0.000 1.062 994 I CB 1.665 39.805 38.000 0.234 0.000 1.223 994 I HN -0.254 nan 8.210 nan 0.000 0.435 995 S N 4.912 120.725 115.700 0.188 0.000 2.554 995 S HA 0.332 4.807 4.470 0.007 0.000 0.278 995 S C 0.926 175.507 174.600 -0.033 0.000 1.242 995 S CA -0.339 57.954 58.200 0.155 0.000 1.051 995 S CB 1.168 64.543 63.200 0.292 0.000 0.986 995 S HN 0.565 nan 8.310 nan 0.000 0.502 996 E N 2.786 122.856 120.200 -0.217 0.000 2.478 996 E HA -0.018 4.337 4.350 0.007 0.000 0.194 996 E C 0.160 176.376 176.600 -0.639 0.000 1.045 996 E CA 0.682 56.769 56.400 -0.522 0.000 0.868 996 E CB 0.135 29.387 29.700 -0.746 0.000 0.885 996 E HN 0.854 nan 8.360 nan 0.000 0.505 997 Y N 0.032 120.304 120.300 -0.045 0.000 2.607 997 Y HA 0.235 4.789 4.550 0.007 0.000 0.276 997 Y C 1.234 177.111 175.900 -0.038 0.000 1.117 997 Y CA -0.506 57.512 58.100 -0.136 0.000 1.273 997 Y CB 0.436 38.532 38.460 -0.606 0.000 1.282 997 Y HN -0.169 nan 8.280 nan 0.000 0.514 998 I N 3.029 123.677 120.570 0.130 0.000 2.752 998 I HA -0.195 3.979 4.170 0.007 0.000 0.286 998 I C 0.988 177.350 176.117 0.409 0.000 1.180 998 I CA 0.987 62.452 61.300 0.274 0.000 1.404 998 I CB -0.229 38.046 38.000 0.457 0.000 1.389 998 I HN 0.549 nan 8.210 nan 0.000 0.549 999 N N 4.265 123.139 118.700 0.291 0.000 2.800 999 N HA -0.207 4.537 4.740 0.007 0.000 0.250 999 N C -0.290 175.384 175.510 0.272 0.000 1.078 999 N CA 0.597 53.755 53.050 0.180 0.000 0.804 999 N CB -0.154 38.380 38.487 0.078 0.000 1.135 999 N HN 0.618 nan 8.380 nan 0.000 0.565 1000 R N -0.277 120.441 120.500 0.364 0.000 2.562 1000 R HA 0.253 4.597 4.340 0.007 0.000 0.298 1000 R C -0.780 175.788 176.300 0.447 0.000 0.961 1000 R CA -0.613 55.741 56.100 0.423 0.000 0.881 1000 R CB 0.681 31.204 30.300 0.371 0.000 1.159 1000 R HN 0.096 nan 8.270 nan 0.000 0.450 1001 W N 3.933 125.496 121.300 0.437 0.000 2.295 1001 W HA 0.048 4.713 4.660 0.009 0.000 0.335 1001 W C 0.092 177.052 176.519 0.735 0.000 1.351 1001 W CA 0.398 58.029 57.345 0.478 0.000 1.273 1001 W CB 0.168 29.875 29.460 0.412 0.000 1.214 1001 W HN 0.446 nan 8.180 nan 0.000 0.563 1002 F N 2.460 122.924 119.950 0.857 0.000 2.626 1002 F HA 0.603 5.134 4.527 0.008 0.000 0.311 1002 F C -1.640 174.332 175.800 0.287 0.000 1.088 1002 F CA -2.623 55.723 58.000 0.577 0.000 0.949 1002 F CB 0.727 39.984 39.000 0.429 0.000 1.322 1002 F HN 0.107 nan 8.300 nan 0.000 0.461 1003 F N 3.137 122.961 119.950 -0.209 0.000 2.405 1003 F HA 0.712 5.243 4.527 0.007 0.000 0.355 1003 F C -1.048 174.481 175.800 -0.452 0.000 1.121 1003 F CA -1.283 56.202 58.000 -0.858 0.000 1.112 1003 F CB 1.099 39.324 39.000 -1.293 0.000 1.126 1003 F HN 0.417 nan 8.300 nan 0.000 0.481 1004 V N 4.969 124.251 119.914 -1.052 0.000 2.513 1004 V HA 0.613 4.737 4.120 0.007 0.000 0.299 1004 V C -0.444 174.830 176.094 -1.367 0.000 1.035 1004 V CA -0.535 61.135 62.300 -1.051 0.000 0.889 1004 V CB 2.008 33.172 31.823 -1.097 0.000 0.988 1004 V HN 0.835 nan 8.190 nan 0.000 0.440 1005 T N 5.438 119.419 114.554 -0.955 0.000 2.991 1005 T HA 0.624 4.978 4.350 0.007 0.000 0.303 1005 T C -0.719 173.670 174.700 -0.519 0.000 1.015 1005 T CA -0.213 61.417 62.100 -0.784 0.000 1.007 1005 T CB 1.201 69.595 68.868 -0.790 0.000 1.034 1005 T HN 0.384 nan 8.240 nan 0.000 0.446 1006 I N 3.354 123.579 120.570 -0.575 0.000 2.406 1006 I HA 0.541 4.716 4.170 0.007 0.000 0.290 1006 I C 0.450 176.147 176.117 -0.700 0.000 0.999 1006 I CA -0.704 60.193 61.300 -0.671 0.000 1.124 1006 I CB 2.057 39.399 38.000 -1.096 0.000 1.289 1006 I HN 0.690 nan 8.210 nan 0.000 0.441 1007 T N 2.158 116.401 114.554 -0.518 0.000 2.887 1007 T HA 0.562 4.916 4.350 0.007 0.000 0.288 1007 T C -0.684 173.772 174.700 -0.406 0.000 1.021 1007 T CA -0.928 60.899 62.100 -0.455 0.000 1.000 1007 T CB 1.872 70.575 68.868 -0.276 0.000 1.034 1007 T HN 0.489 nan 8.240 nan 0.000 0.467 1008 N N 2.328 120.797 118.700 -0.385 0.000 2.310 1008 N HA 0.458 5.202 4.740 0.007 0.000 0.292 1008 N C -1.269 174.175 175.510 -0.111 0.000 1.049 1008 N CA -0.657 52.262 53.050 -0.218 0.000 0.849 1008 N CB 2.585 40.929 38.487 -0.238 0.000 1.532 1008 N HN 0.917 nan 8.380 nan 0.000 0.479 1009 N N -0.441 118.240 118.700 -0.033 0.000 3.102 1009 N HA 0.274 5.019 4.740 0.007 0.000 0.299 1009 N C 0.811 176.370 175.510 0.082 0.000 1.482 1009 N CA -0.718 52.346 53.050 0.023 0.000 0.785 1009 N CB 0.108 38.652 38.487 0.094 0.000 1.680 1009 N HN 0.163 nan 8.380 nan 0.000 0.594 1010 L N -2.197 119.184 121.223 0.263 0.000 2.187 1010 L HA 0.122 4.466 4.340 0.007 0.000 0.213 1010 L C 0.890 177.852 176.870 0.154 0.000 1.100 1010 L CA 1.437 56.455 54.840 0.296 0.000 0.765 1010 L CB -1.588 40.737 42.059 0.443 0.000 0.904 1010 L HN 0.531 nan 8.230 nan 0.000 0.437 1011 N N -0.699 118.069 118.700 0.114 0.000 2.571 1011 N HA 0.097 4.841 4.740 0.007 0.000 0.195 1011 N C 0.228 175.766 175.510 0.047 0.000 1.040 1011 N CA 0.371 53.463 53.050 0.070 0.000 0.890 1011 N CB 0.199 38.718 38.487 0.054 0.000 1.233 1011 N HN 0.450 nan 8.380 nan 0.000 0.435 1012 N N 0.145 118.866 118.700 0.034 0.000 2.381 1012 N HA 0.535 5.279 4.740 0.007 0.000 0.294 1012 N C -1.204 174.307 175.510 0.002 0.000 1.216 1012 N CA -0.418 52.639 53.050 0.012 0.000 0.803 1012 N CB 2.513 40.992 38.487 -0.013 0.000 1.372 1012 N HN -0.021 nan 8.380 nan 0.000 0.500 1013 A N 0.965 123.784 122.820 -0.001 0.000 2.311 1013 A HA 0.544 4.868 4.320 0.007 0.000 0.306 1013 A C -0.582 176.953 177.584 -0.082 0.000 1.189 1013 A CA -0.613 51.416 52.037 -0.012 0.000 0.791 1013 A CB 0.672 19.753 19.000 0.134 0.000 1.172 1013 A HN 0.536 nan 8.150 nan 0.000 0.481 1014 K N 2.125 122.434 120.400 -0.152 0.000 2.316 1014 K HA 0.676 5.000 4.320 0.007 0.000 0.251 1014 K C -1.318 175.143 176.600 -0.231 0.000 0.934 1014 K CA -0.394 55.777 56.287 -0.193 0.000 0.802 1014 K CB 2.555 34.964 32.500 -0.152 0.000 1.171 1014 K HN 0.638 nan 8.250 nan 0.000 0.426 1015 I N 3.216 123.606 120.570 -0.299 0.000 2.362 1015 I HA 0.296 4.470 4.170 0.007 0.000 0.289 1015 I C -1.094 174.781 176.117 -0.403 0.000 0.994 1015 I CA -0.895 60.239 61.300 -0.278 0.000 1.158 1015 I CB 0.794 38.675 38.000 -0.198 0.000 1.315 1015 I HN 0.451 nan 8.210 nan 0.000 0.451 1016 Y N 6.261 126.297 120.300 -0.441 0.000 2.409 1016 Y HA 0.539 5.094 4.550 0.008 0.000 0.339 1016 Y C -0.012 175.539 175.900 -0.582 0.000 1.033 1016 Y CA -0.941 56.883 58.100 -0.460 0.000 1.094 1016 Y CB 1.628 39.836 38.460 -0.419 0.000 1.210 1016 Y HN 0.230 nan 8.280 nan 0.000 0.456 1017 I N 3.558 123.849 120.570 -0.465 0.000 2.439 1017 I HA 0.192 4.367 4.170 0.007 0.000 0.285 1017 I C -0.357 175.507 176.117 -0.421 0.000 1.021 1017 I CA -0.985 59.981 61.300 -0.557 0.000 1.091 1017 I CB 1.328 38.731 38.000 -0.995 0.000 1.242 1017 I HN 0.725 nan 8.210 nan 0.000 0.439 1018 N N 5.101 123.544 118.700 -0.429 0.000 2.727 1018 N HA -0.208 4.536 4.740 0.007 0.000 0.249 1018 N C 1.154 176.115 175.510 -0.916 0.000 1.048 1018 N CA 1.338 53.867 53.050 -0.869 0.000 0.714 1018 N CB -0.980 37.148 38.487 -0.599 0.000 0.959 1018 N HN 1.140 nan 8.380 nan 0.000 0.544 1019 G N -1.216 107.328 108.800 -0.426 0.000 2.205 1019 G HA2 -0.383 3.581 3.960 0.007 0.000 0.261 1019 G HA3 -0.383 3.581 3.960 0.007 0.000 0.261 1019 G C 0.051 174.922 174.900 -0.048 0.000 0.980 1019 G CA 0.916 45.911 45.100 -0.173 0.000 0.632 1019 G HN 0.725 nan 8.290 nan 0.000 0.533 1020 K N 0.398 120.723 120.400 -0.125 0.000 2.185 1020 K HA 0.672 4.996 4.320 0.007 0.000 0.269 1020 K C 0.240 176.709 176.600 -0.219 0.000 0.987 1020 K CA -1.130 55.093 56.287 -0.107 0.000 0.865 1020 K CB 0.980 33.398 32.500 -0.136 0.000 1.090 1020 K HN 0.185 nan 8.250 nan 0.000 0.450 1021 L N 4.135 125.163 121.223 -0.325 0.000 2.455 1021 L HA 0.058 4.402 4.340 0.007 0.000 0.272 1021 L C 0.462 177.066 176.870 -0.443 0.000 1.174 1021 L CA 1.003 55.422 54.840 -0.702 0.000 0.869 1021 L CB 0.614 42.274 42.059 -0.665 0.000 1.130 1021 L HN 0.839 nan 8.230 nan 0.000 0.474 1022 E N 1.958 121.880 120.200 -0.463 0.000 2.367 1022 E HA 0.251 4.605 4.350 0.007 0.000 0.204 1022 E C -0.248 176.214 176.600 -0.229 0.000 0.840 1022 E CA 0.305 56.535 56.400 -0.284 0.000 1.051 1022 E CB 0.612 30.126 29.700 -0.310 0.000 1.051 1022 E HN 0.682 nan 8.360 nan 0.000 0.509 1023 S N 0.735 116.260 115.700 -0.291 0.000 2.588 1023 S HA 0.514 4.988 4.470 0.007 0.000 0.275 1023 S C -0.815 173.629 174.600 -0.260 0.000 1.130 1023 S CA -0.925 57.117 58.200 -0.264 0.000 0.855 1023 S CB 2.448 65.482 63.200 -0.278 0.000 1.116 1023 S HN 0.077 nan 8.310 nan 0.000 0.472 1024 N N 0.544 119.119 118.700 -0.208 0.000 2.371 1024 N HA 0.446 5.191 4.740 0.007 0.000 0.280 1024 N C -2.043 173.404 175.510 -0.105 0.000 1.084 1024 N CA -0.174 52.782 53.050 -0.156 0.000 0.892 1024 N CB 2.290 40.688 38.487 -0.149 0.000 1.653 1024 N HN 0.569 nan 8.380 nan 0.000 0.480 1025 T N 1.393 115.912 114.554 -0.058 0.000 2.881 1025 T HA 0.175 4.529 4.350 0.007 0.000 0.290 1025 T C -1.126 173.576 174.700 0.003 0.000 1.000 1025 T CA -0.596 61.493 62.100 -0.019 0.000 0.978 1025 T CB 1.447 70.326 68.868 0.020 0.000 0.997 1025 T HN 0.392 nan 8.240 nan 0.000 0.443 1026 D N 3.203 123.606 120.400 0.004 0.000 2.371 1026 D HA 0.111 4.755 4.640 0.007 0.000 0.256 1026 D C 0.624 176.943 176.300 0.032 0.000 1.193 1026 D CA -0.247 53.762 54.000 0.015 0.000 0.881 1026 D CB 0.555 41.361 40.800 0.010 0.000 1.143 1026 D HN 0.650 nan 8.370 nan 0.000 0.473 1027 I N 0.853 121.449 120.570 0.043 0.000 3.424 1027 I HA 0.198 4.372 4.170 0.007 0.000 0.339 1027 I C 1.170 177.321 176.117 0.057 0.000 1.549 1027 I CA -0.804 60.530 61.300 0.056 0.000 1.049 1027 I CB 0.477 38.523 38.000 0.077 0.000 1.439 1027 I HN 0.038 nan 8.210 nan 0.000 0.500 1028 K N 1.337 121.766 120.400 0.048 0.000 2.026 1028 K HA -0.116 4.208 4.320 0.007 0.000 0.208 1028 K C 1.048 177.677 176.600 0.048 0.000 1.048 1028 K CA 1.895 58.212 56.287 0.051 0.000 0.929 1028 K CB -0.053 32.471 32.500 0.040 0.000 0.713 1028 K HN 0.443 nan 8.250 nan 0.000 0.439 1029 D N 0.907 121.330 120.400 0.038 0.000 2.178 1029 D HA -0.101 4.543 4.640 0.007 0.000 0.201 1029 D C 0.838 177.159 176.300 0.035 0.000 0.980 1029 D CA 0.631 54.650 54.000 0.033 0.000 0.842 1029 D CB -0.127 40.688 40.800 0.026 0.000 0.948 1029 D HN 0.056 nan 8.370 nan 0.000 0.472 1030 I N 2.612 123.206 120.570 0.041 0.000 2.741 1030 I HA -0.108 4.067 4.170 0.007 0.000 0.288 1030 I C 1.397 177.539 176.117 0.043 0.000 1.192 1030 I CA 0.406 61.731 61.300 0.040 0.000 1.426 1030 I CB 0.165 38.196 38.000 0.052 0.000 1.367 1030 I HN -0.117 nan 8.210 nan 0.000 0.563 1031 R N 4.523 125.042 120.500 0.032 0.000 2.271 1031 R HA 0.231 4.576 4.340 0.007 0.000 0.175 1031 R C 0.166 176.482 176.300 0.026 0.000 1.055 1031 R CA -0.735 55.385 56.100 0.032 0.000 1.336 1031 R CB -0.225 30.089 30.300 0.023 0.000 1.733 1031 R HN 0.559 nan 8.270 nan 0.000 0.565 1032 E N 1.009 121.218 120.200 0.015 0.000 2.414 1032 E HA 0.095 4.449 4.350 0.007 0.000 0.263 1032 E C -1.057 175.532 176.600 -0.019 0.000 1.000 1032 E CA 0.065 56.463 56.400 -0.002 0.000 0.914 1032 E CB 0.568 30.264 29.700 -0.007 0.000 0.948 1032 E HN 0.069 nan 8.360 nan 0.000 0.444 1033 V N 6.803 126.691 119.914 -0.043 0.000 2.482 1033 V HA 0.250 4.374 4.120 0.007 0.000 0.295 1033 V C -0.076 175.943 176.094 -0.125 0.000 1.026 1033 V CA -0.650 61.618 62.300 -0.053 0.000 0.856 1033 V CB 1.413 33.236 31.823 0.000 0.000 1.001 1033 V HN 0.631 nan 8.190 nan 0.000 0.424 1034 I N 4.047 124.550 120.570 -0.112 0.000 2.436 1034 I HA 0.317 4.491 4.170 0.007 0.000 0.289 1034 I C 1.129 177.141 176.117 -0.175 0.000 1.083 1034 I CA 0.268 61.480 61.300 -0.147 0.000 1.372 1034 I CB 1.219 39.160 38.000 -0.098 0.000 1.408 1034 I HN 0.735 nan 8.210 nan 0.000 0.516 1035 A N 4.769 127.396 122.820 -0.321 0.000 2.431 1035 A HA 0.097 4.421 4.320 0.007 0.000 0.239 1035 A C 1.113 178.756 177.584 0.100 0.000 1.230 1035 A CA -0.223 51.681 52.037 -0.221 0.000 0.928 1035 A CB -0.375 18.102 19.000 -0.873 0.000 1.006 1035 A HN 0.809 nan 8.150 nan 0.000 0.520 1036 N N -0.122 118.625 118.700 0.078 0.000 2.268 1036 N HA 0.244 4.988 4.740 0.007 0.000 0.204 1036 N C 0.812 176.387 175.510 0.109 0.000 1.124 1036 N CA 0.456 53.658 53.050 0.252 0.000 0.838 1036 N CB -0.159 38.487 38.487 0.266 0.000 0.994 1036 N HN 0.170 nan 8.380 nan 0.000 0.489 1037 G N -0.109 108.699 108.800 0.013 0.000 2.631 1037 G HA2 0.057 4.022 3.960 0.007 0.000 0.271 1037 G HA3 0.057 4.022 3.960 0.007 0.000 0.271 1037 G C -0.523 174.358 174.900 -0.032 0.000 1.302 1037 G CA -0.590 44.485 45.100 -0.041 0.000 1.002 1037 G HN 0.360 nan 8.290 nan 0.000 0.519 1038 E N -1.291 118.878 120.200 -0.052 0.000 2.392 1038 E HA 0.213 4.567 4.350 0.007 0.000 0.264 1038 E C -0.193 176.352 176.600 -0.092 0.000 1.024 1038 E CA -0.057 56.324 56.400 -0.031 0.000 0.903 1038 E CB 0.450 30.135 29.700 -0.025 0.000 0.963 1038 E HN 0.216 nan 8.360 nan 0.000 0.432 1039 I N 5.236 125.788 120.570 -0.031 0.000 2.339 1039 I HA 0.235 4.409 4.170 0.007 0.000 0.290 1039 I C -0.488 175.597 176.117 -0.053 0.000 0.994 1039 I CA -0.716 60.516 61.300 -0.115 0.000 1.191 1039 I CB 1.031 39.049 38.000 0.030 0.000 1.343 1039 I HN 0.336 nan 8.210 nan 0.000 0.458 1040 I N 6.709 127.177 120.570 -0.170 0.000 2.330 1040 I HA 0.291 4.465 4.170 0.007 0.000 0.289 1040 I C -0.528 175.512 176.117 -0.128 0.000 1.001 1040 I CA -0.427 60.840 61.300 -0.054 0.000 1.193 1040 I CB 0.897 38.857 38.000 -0.067 0.000 1.345 1040 I HN 0.327 nan 8.210 nan 0.000 0.461 1041 F N 6.317 126.235 119.950 -0.053 0.000 2.371 1041 F HA 0.519 5.051 4.527 0.009 0.000 0.363 1041 F C 0.525 176.334 175.800 0.015 0.000 1.122 1041 F CA -0.342 57.641 58.000 -0.028 0.000 1.129 1041 F CB 0.701 39.673 39.000 -0.047 0.000 1.173 1041 F HN 0.369 nan 8.300 nan 0.000 0.489 1042 K N 3.749 124.234 120.400 0.142 0.000 2.610 1042 K HA 0.331 4.655 4.320 0.007 0.000 0.267 1042 K C -1.793 174.868 176.600 0.102 0.000 0.943 1042 K CA -0.686 55.668 56.287 0.113 0.000 0.862 1042 K CB 1.336 33.870 32.500 0.057 0.000 1.376 1042 K HN 0.514 nan 8.250 nan 0.000 0.412 1043 L N 3.313 124.606 121.223 0.116 0.000 2.433 1043 L HA 0.204 4.549 4.340 0.007 0.000 0.275 1043 L C -0.348 176.577 176.870 0.093 0.000 1.128 1043 L CA 0.024 54.955 54.840 0.151 0.000 0.875 1043 L CB 0.311 42.424 42.059 0.090 0.000 1.171 1043 L HN 0.562 nan 8.230 nan 0.000 0.463 1044 D N 3.147 123.621 120.400 0.123 0.000 2.421 1044 D HA 0.677 5.322 4.640 0.007 0.000 0.254 1044 D C -0.158 176.192 176.300 0.084 0.000 1.238 1044 D CA 0.013 54.050 54.000 0.062 0.000 0.919 1044 D CB 1.438 42.250 40.800 0.021 0.000 1.152 1044 D HN 0.675 nan 8.370 nan 0.000 0.552 1045 G N 2.330 111.162 108.800 0.052 0.000 2.323 1045 G HA2 0.139 4.104 3.960 0.007 0.000 0.291 1045 G HA3 0.139 4.104 3.960 0.007 0.000 0.291 1045 G C -1.301 173.603 174.900 0.006 0.000 1.278 1045 G CA -0.914 44.218 45.100 0.053 0.000 0.860 1045 G HN 0.271 nan 8.290 nan 0.000 0.504 1046 D N 0.871 121.275 120.400 0.007 0.000 2.619 1046 D HA 0.417 5.061 4.640 0.007 0.000 0.224 1046 D C 1.046 177.316 176.300 -0.051 0.000 1.133 1046 D CA -0.154 53.838 54.000 -0.013 0.000 1.017 1046 D CB -0.512 40.294 40.800 0.010 0.000 1.077 1046 D HN 0.587 nan 8.370 nan 0.000 0.503 1047 I N -2.332 118.172 120.570 -0.109 0.000 2.783 1047 I HA 0.481 4.655 4.170 0.007 0.000 0.312 1047 I C 0.284 176.327 176.117 -0.123 0.000 0.988 1047 I CA -1.018 60.163 61.300 -0.198 0.000 1.182 1047 I CB 1.345 39.124 38.000 -0.369 0.000 1.368 1047 I HN -0.096 nan 8.210 nan 0.000 0.511 1048 D N 2.325 122.651 120.400 -0.122 0.000 2.341 1048 D HA 0.141 4.786 4.640 0.007 0.000 0.245 1048 D C 0.872 177.136 176.300 -0.060 0.000 1.106 1048 D CA -0.184 53.778 54.000 -0.065 0.000 0.905 1048 D CB 1.406 42.179 40.800 -0.044 0.000 1.202 1048 D HN 0.586 nan 8.370 nan 0.000 0.426 1049 R N 0.491 120.974 120.500 -0.029 0.000 2.159 1049 R HA -0.114 4.230 4.340 0.007 0.000 0.237 1049 R C 1.825 178.131 176.300 0.010 0.000 1.131 1049 R CA 1.612 57.704 56.100 -0.013 0.000 0.982 1049 R CB -0.242 30.056 30.300 -0.003 0.000 0.868 1049 R HN 0.535 nan 8.270 nan 0.000 0.453 1050 T N -2.466 112.098 114.554 0.017 0.000 3.100 1050 T HA -0.029 4.325 4.350 0.007 0.000 0.253 1050 T C 0.786 175.536 174.700 0.083 0.000 1.118 1050 T CA -0.194 61.949 62.100 0.070 0.000 1.058 1050 T CB 0.134 69.037 68.868 0.057 0.000 0.953 1050 T HN -0.027 nan 8.240 nan 0.000 0.515 1051 Q N 1.794 121.577 119.800 -0.028 0.000 2.337 1051 Q HA 0.477 4.821 4.340 0.007 0.000 0.270 1051 Q C -0.633 175.358 176.000 -0.015 0.000 1.002 1051 Q CA -0.285 55.436 55.803 -0.136 0.000 0.888 1051 Q CB 0.003 28.581 28.738 -0.266 0.000 1.222 1051 Q HN 0.607 nan 8.270 nan 0.000 0.400 1052 F N 1.690 121.608 119.950 -0.054 0.000 2.711 1052 F HA 0.773 5.305 4.527 0.007 0.000 0.313 1052 F C -1.620 174.170 175.800 -0.017 0.000 1.141 1052 F CA -1.348 56.609 58.000 -0.072 0.000 0.941 1052 F CB 1.146 40.064 39.000 -0.136 0.000 1.349 1052 F HN 0.284 nan 8.300 nan 0.000 0.464 1053 I N 0.966 121.672 120.570 0.226 0.000 2.752 1053 I HA 0.241 4.415 4.170 0.007 0.000 0.295 1053 I C -1.779 174.381 176.117 0.072 0.000 1.219 1053 I CA -0.948 60.452 61.300 0.167 0.000 1.030 1053 I CB 1.935 40.037 38.000 0.171 0.000 1.259 1053 I HN 0.840 nan 8.210 nan 0.000 0.423 1054 W N 5.980 127.309 121.300 0.048 0.000 2.551 1054 W HA 0.747 5.410 4.660 0.005 0.000 0.330 1054 W C 0.114 176.583 176.519 -0.082 0.000 1.063 1054 W CA -0.460 56.850 57.345 -0.059 0.000 1.222 1054 W CB 1.824 31.138 29.460 -0.242 0.000 1.349 1054 W HN 0.329 nan 8.180 nan 0.000 0.536 1055 M N 3.137 122.801 119.600 0.105 0.000 2.575 1055 M HA 0.521 5.005 4.480 0.007 0.000 0.284 1055 M C -1.477 174.837 176.300 0.023 0.000 1.253 1055 M CA -0.720 54.597 55.300 0.028 0.000 0.861 1055 M CB 2.339 34.661 32.600 -0.462 0.000 1.733 1055 M HN 0.407 nan 8.290 nan 0.000 0.462 1056 K N 1.956 122.558 120.400 0.337 0.000 2.562 1056 K HA 0.321 4.645 4.320 0.007 0.000 0.267 1056 K C -1.547 175.361 176.600 0.514 0.000 0.938 1056 K CA -0.509 55.891 56.287 0.187 0.000 0.840 1056 K CB 1.321 33.605 32.500 -0.359 0.000 1.390 1056 K HN 0.850 nan 8.250 nan 0.000 0.428 1057 Y N 1.266 121.837 120.300 0.451 0.000 3.234 1057 Y HA -0.288 4.265 4.550 0.006 0.000 0.207 1057 Y C -0.580 175.675 175.900 0.592 0.000 1.316 1057 Y CA -0.082 58.302 58.100 0.473 0.000 1.309 1057 Y CB -1.196 37.538 38.460 0.457 0.000 1.408 1057 Y HN 0.485 nan 8.280 nan 0.000 0.544 1058 F N 2.501 122.851 119.950 0.667 0.000 2.504 1058 F HA 0.419 4.949 4.527 0.005 0.000 0.369 1058 F C 0.490 176.578 175.800 0.481 0.000 1.082 1058 F CA 0.308 58.689 58.000 0.635 0.000 1.216 1058 F CB 0.583 39.978 39.000 0.658 0.000 1.108 1058 F HN 0.078 nan 8.300 nan 0.000 0.554 1059 S N 5.997 121.604 115.700 -0.156 0.000 2.579 1059 S HA 0.765 5.239 4.470 0.007 0.000 0.272 1059 S C -1.083 173.386 174.600 -0.218 0.000 1.141 1059 S CA -1.005 57.146 58.200 -0.082 0.000 0.843 1059 S CB 1.689 64.895 63.200 0.009 0.000 1.122 1059 S HN 0.548 nan 8.310 nan 0.000 0.468 1060 I N 1.291 121.786 120.570 -0.124 0.000 2.545 1060 I HA 0.548 4.722 4.170 0.007 0.000 0.292 1060 I C -1.527 174.513 176.117 -0.128 0.000 1.040 1060 I CA -0.677 60.616 61.300 -0.012 0.000 1.068 1060 I CB 1.738 39.808 38.000 0.116 0.000 1.251 1060 I HN 0.548 nan 8.210 nan 0.000 0.424 1061 F N 3.290 123.223 119.950 -0.028 0.000 2.495 1061 F HA 0.291 4.825 4.527 0.010 0.000 0.327 1061 F C 0.812 176.623 175.800 0.018 0.000 1.103 1061 F CA -0.939 57.042 58.000 -0.030 0.000 0.949 1061 F CB 1.282 40.251 39.000 -0.050 0.000 1.142 1061 F HN 0.475 nan 8.300 nan 0.000 0.457 1062 N N 0.346 119.122 118.700 0.126 0.000 2.484 1062 N HA 0.099 4.844 4.740 0.007 0.000 0.245 1062 N C -0.343 175.297 175.510 0.218 0.000 1.184 1062 N CA 0.071 53.196 53.050 0.124 0.000 0.884 1062 N CB 0.432 38.881 38.487 -0.064 0.000 1.182 1062 N HN 0.582 nan 8.380 nan 0.000 0.493 1063 T N -1.406 113.280 114.554 0.221 0.000 2.769 1063 T HA 0.192 4.547 4.350 0.007 0.000 0.306 1063 T C -1.990 172.739 174.700 0.048 0.000 1.400 1063 T CA -0.811 61.376 62.100 0.144 0.000 1.007 1063 T CB 1.485 70.422 68.868 0.116 0.000 1.392 1063 T HN 0.234 nan 8.240 nan 0.000 0.500 1064 E N 2.653 122.853 120.200 -0.001 0.000 2.152 1064 E HA 0.387 4.742 4.350 0.007 0.000 0.285 1064 E C -0.481 176.018 176.600 -0.168 0.000 1.043 1064 E CA -0.414 55.927 56.400 -0.099 0.000 0.839 1064 E CB 0.421 30.089 29.700 -0.054 0.000 1.069 1064 E HN 0.484 nan 8.360 nan 0.000 0.399 1065 L N 3.693 124.733 121.223 -0.305 0.000 2.426 1065 L HA 0.117 4.461 4.340 0.007 0.000 0.271 1065 L C 0.757 177.425 176.870 -0.337 0.000 1.169 1065 L CA -0.307 54.298 54.840 -0.392 0.000 0.836 1065 L CB 1.067 42.768 42.059 -0.596 0.000 1.112 1065 L HN 0.616 nan 8.230 nan 0.000 0.465 1066 S N 1.268 116.806 115.700 -0.270 0.000 2.652 1066 S HA 0.080 4.554 4.470 0.007 0.000 0.270 1066 S C 0.661 175.094 174.600 -0.277 0.000 1.243 1066 S CA -0.660 57.417 58.200 -0.206 0.000 0.999 1066 S CB 1.568 64.692 63.200 -0.127 0.000 0.973 1066 S HN 0.675 nan 8.310 nan 0.000 0.544 1067 Q N 0.896 120.590 119.800 -0.177 0.000 2.135 1067 Q HA -0.143 4.201 4.340 0.007 0.000 0.204 1067 Q C 2.131 178.053 176.000 -0.130 0.000 0.981 1067 Q CA 2.199 57.918 55.803 -0.140 0.000 0.856 1067 Q CB -0.829 27.940 28.738 0.052 0.000 0.902 1067 Q HN 0.838 nan 8.270 nan 0.000 0.425 1068 S N 0.396 116.037 115.700 -0.098 0.000 2.368 1068 S HA -0.102 4.373 4.470 0.007 0.000 0.225 1068 S C 1.599 176.142 174.600 -0.096 0.000 1.030 1068 S CA 1.205 59.361 58.200 -0.073 0.000 0.999 1068 S CB -0.088 63.077 63.200 -0.057 0.000 0.844 1068 S HN 0.448 nan 8.310 nan 0.000 0.459 1069 N N 1.488 120.100 118.700 -0.147 0.000 2.120 1069 N HA -0.013 4.731 4.740 0.007 0.000 0.188 1069 N C 1.810 177.221 175.510 -0.166 0.000 1.024 1069 N CA 1.524 54.473 53.050 -0.168 0.000 0.852 1069 N CB -0.537 37.800 38.487 -0.249 0.000 1.003 1069 N HN 0.474 nan 8.380 nan 0.000 0.424 1070 I N 1.026 121.457 120.570 -0.233 0.000 2.179 1070 I HA -0.230 3.944 4.170 0.007 0.000 0.242 1070 I C 2.431 178.561 176.117 0.021 0.000 1.088 1070 I CA 1.071 62.266 61.300 -0.175 0.000 1.357 1070 I CB -0.206 37.513 38.000 -0.468 0.000 1.051 1070 I HN 0.060 nan 8.210 nan 0.000 0.409 1071 E N 1.378 121.571 120.200 -0.011 0.000 2.077 1071 E HA -0.286 4.068 4.350 0.007 0.000 0.193 1071 E C 2.006 178.664 176.600 0.096 0.000 0.989 1071 E CA 1.649 58.099 56.400 0.082 0.000 0.800 1071 E CB -0.147 29.579 29.700 0.043 0.000 0.746 1071 E HN 0.439 nan 8.360 nan 0.000 0.452 1072 E N -0.152 120.060 120.200 0.021 0.000 2.072 1072 E HA -0.216 4.139 4.350 0.007 0.000 0.191 1072 E C 2.256 178.852 176.600 -0.007 0.000 0.985 1072 E CA 0.921 57.320 56.400 -0.002 0.000 0.801 1072 E CB -0.103 29.579 29.700 -0.029 0.000 0.750 1072 E HN 0.143 nan 8.360 nan 0.000 0.452 1073 R N -0.625 119.876 120.500 0.001 0.000 2.096 1073 R HA -0.193 4.151 4.340 0.007 0.000 0.235 1073 R C 2.343 178.554 176.300 -0.148 0.000 1.127 1073 R CA 1.457 57.544 56.100 -0.021 0.000 0.968 1073 R CB -0.363 29.977 30.300 0.066 0.000 0.861 1073 R HN 0.268 nan 8.270 nan 0.000 0.440 1074 Y N 1.395 121.517 120.300 -0.296 0.000 2.145 1074 Y HA -0.197 4.357 4.550 0.007 0.000 0.286 1074 Y C 1.626 177.477 175.900 -0.082 0.000 1.145 1074 Y CA 1.772 59.620 58.100 -0.419 0.000 1.148 1074 Y CB -0.066 38.324 38.460 -0.116 0.000 0.981 1074 Y HN -0.055 nan 8.280 nan 0.000 0.507 1075 K N -0.034 120.274 120.400 -0.154 0.000 2.057 1075 K HA -0.112 4.213 4.320 0.007 0.000 0.206 1075 K C 2.146 178.676 176.600 -0.116 0.000 1.050 1075 K CA 1.806 57.975 56.287 -0.198 0.000 0.935 1075 K CB -0.265 32.187 32.500 -0.079 0.000 0.715 1075 K HN 0.351 nan 8.250 nan 0.000 0.439 1076 I N 1.397 121.919 120.570 -0.080 0.000 2.179 1076 I HA -0.303 3.871 4.170 0.007 0.000 0.242 1076 I C 2.171 178.269 176.117 -0.032 0.000 1.088 1076 I CA 1.466 62.731 61.300 -0.060 0.000 1.357 1076 I CB -0.193 37.769 38.000 -0.064 0.000 1.051 1076 I HN 0.229 nan 8.210 nan 0.000 0.409 1077 Q N -0.303 119.482 119.800 -0.024 0.000 2.432 1077 Q HA -0.025 4.319 4.340 0.007 0.000 0.205 1077 Q C 2.159 178.100 176.000 -0.098 0.000 0.945 1077 Q CA 0.712 56.535 55.803 0.033 0.000 0.924 1077 Q CB 0.201 29.095 28.738 0.260 0.000 1.016 1077 Q HN 0.380 nan 8.270 nan 0.000 0.503 1078 S N -0.105 115.535 115.700 -0.100 0.000 2.470 1078 S HA -0.032 4.442 4.470 0.007 0.000 0.225 1078 S C 0.204 174.689 174.600 -0.191 0.000 1.006 1078 S CA -0.152 57.930 58.200 -0.197 0.000 0.934 1078 S CB -0.050 62.989 63.200 -0.268 0.000 0.778 1078 S HN 0.372 nan 8.310 nan 0.000 0.517 1079 Y N 3.746 123.912 120.300 -0.224 0.000 2.610 1079 Y HA 0.273 4.827 4.550 0.006 0.000 0.332 1079 Y C 0.339 176.058 175.900 -0.303 0.000 1.201 1079 Y CA -0.027 57.936 58.100 -0.229 0.000 1.465 1079 Y CB 0.289 38.639 38.460 -0.183 0.000 1.283 1079 Y HN 0.153 nan 8.280 nan 0.000 0.563 1080 S N 3.465 118.310 115.700 -1.424 0.000 2.567 1080 S HA 0.301 4.775 4.470 0.007 0.000 0.270 1080 S C -0.273 173.563 174.600 -1.273 0.000 1.152 1080 S CA -0.986 56.432 58.200 -1.303 0.000 0.835 1080 S CB 1.612 63.915 63.200 -1.494 0.000 1.115 1080 S HN 0.640 nan 8.310 nan 0.000 0.459 1081 E N 0.113 119.787 120.200 -0.876 0.000 2.230 1081 E HA 0.088 4.442 4.350 0.007 0.000 0.192 1081 E C 0.242 176.627 176.600 -0.359 0.000 0.987 1081 E CA 0.893 57.014 56.400 -0.465 0.000 0.841 1081 E CB -0.186 29.395 29.700 -0.198 0.000 0.783 1081 E HN 0.780 nan 8.360 nan 0.000 0.481 1082 Y N -0.440 119.717 120.300 -0.239 0.000 2.403 1082 Y HA 0.547 5.101 4.550 0.006 0.000 0.323 1082 Y C 0.412 176.181 175.900 -0.219 0.000 1.226 1082 Y CA -1.402 56.575 58.100 -0.205 0.000 1.235 1082 Y CB 0.133 38.486 38.460 -0.178 0.000 1.248 1082 Y HN -0.315 nan 8.280 nan 0.000 0.489 1083 L N 2.076 123.330 121.223 0.052 0.000 2.468 1083 L HA 0.445 4.790 4.340 0.007 0.000 0.254 1083 L C 0.070 176.987 176.870 0.079 0.000 1.171 1083 L CA -0.633 54.205 54.840 -0.003 0.000 0.809 1083 L CB 0.665 42.685 42.059 -0.064 0.000 1.155 1083 L HN 0.703 nan 8.230 nan 0.000 0.473 1084 K N -0.473 119.943 120.400 0.027 0.000 2.352 1084 K HA 0.396 4.721 4.320 0.007 0.000 0.240 1084 K C -1.314 175.238 176.600 -0.080 0.000 1.017 1084 K CA -0.932 55.332 56.287 -0.038 0.000 0.851 1084 K CB 1.436 33.877 32.500 -0.099 0.000 1.261 1084 K HN 0.603 nan 8.250 nan 0.000 0.451 1085 D N -0.563 119.759 120.400 -0.130 0.000 2.529 1085 D HA 0.031 4.675 4.640 0.007 0.000 0.273 1085 D C 0.732 176.955 176.300 -0.128 0.000 1.197 1085 D CA -0.579 53.360 54.000 -0.101 0.000 1.070 1085 D CB 0.118 40.898 40.800 -0.032 0.000 1.134 1085 D HN 0.424 nan 8.370 nan 0.000 0.590 1086 F N -0.522 119.232 119.950 -0.328 0.000 2.154 1086 F HA -0.089 4.442 4.527 0.007 0.000 0.301 1086 F C 1.469 177.031 175.800 -0.397 0.000 1.087 1086 F CA 1.335 59.054 58.000 -0.469 0.000 1.274 1086 F CB -0.099 38.378 39.000 -0.872 0.000 1.009 1086 F HN 0.390 nan 8.300 nan 0.000 0.485 1087 W N -0.493 120.849 121.300 0.070 0.000 2.678 1087 W HA 0.250 4.913 4.660 0.006 0.000 0.256 1087 W C 1.911 178.345 176.519 -0.142 0.000 1.280 1087 W CA 0.548 57.897 57.345 0.006 0.000 1.345 1087 W CB -0.253 29.258 29.460 0.084 0.000 1.118 1087 W HN 0.204 nan 8.180 nan 0.000 0.629 1088 G N -0.498 108.077 108.800 -0.375 0.000 2.184 1088 G HA2 -0.246 3.718 3.960 0.007 0.000 0.206 1088 G HA3 -0.246 3.718 3.960 0.007 0.000 0.206 1088 G C 0.109 174.870 174.900 -0.231 0.000 0.995 1088 G CA -0.517 44.096 45.100 -0.811 0.000 0.651 1088 G HN 0.111 nan 8.290 nan 0.000 0.511 1089 N N 1.329 120.018 118.700 -0.017 0.000 2.463 1089 N HA 0.477 5.221 4.740 0.007 0.000 0.270 1089 N C -2.707 172.717 175.510 -0.142 0.000 1.205 1089 N CA -1.303 51.718 53.050 -0.049 0.000 0.974 1089 N CB 0.670 39.185 38.487 0.047 0.000 1.197 1089 N HN 0.022 nan 8.380 nan 0.000 0.504 1090 P HA 0.010 nan 4.420 nan 0.000 0.265 1090 P C -0.096 177.057 177.300 -0.245 0.000 1.193 1090 P CA -0.255 62.563 63.100 -0.469 0.000 0.765 1090 P CB 0.439 31.600 31.700 -0.899 0.000 0.823 1091 L N 4.668 125.771 121.223 -0.200 0.000 2.416 1091 L HA 0.263 4.608 4.340 0.007 0.000 0.272 1091 L C -0.186 176.573 176.870 -0.186 0.000 1.161 1091 L CA 0.969 55.701 54.840 -0.179 0.000 0.845 1091 L CB -0.179 41.719 42.059 -0.268 0.000 1.119 1091 L HN 0.284 nan 8.230 nan 0.000 0.464 1092 M N 4.251 123.832 119.600 -0.032 0.000 2.602 1092 M HA 0.321 4.805 4.480 0.007 0.000 0.312 1092 M C -0.806 175.425 176.300 -0.115 0.000 1.181 1092 M CA -0.461 54.784 55.300 -0.091 0.000 0.910 1092 M CB 1.610 34.196 32.600 -0.023 0.000 1.723 1092 M HN 0.387 nan 8.290 nan 0.000 0.459 1093 Y N 1.207 121.496 120.300 -0.019 0.000 2.300 1093 Y HA 0.171 4.725 4.550 0.006 0.000 0.328 1093 Y C 1.020 176.903 175.900 -0.029 0.000 1.270 1093 Y CA 0.334 58.421 58.100 -0.021 0.000 1.352 1093 Y CB 0.543 38.987 38.460 -0.026 0.000 1.286 1093 Y HN 0.753 nan 8.280 nan 0.000 0.536 1094 N N 0.669 119.472 118.700 0.171 0.000 2.725 1094 N HA -0.252 4.492 4.740 0.007 0.000 0.249 1094 N C -0.771 174.734 175.510 -0.009 0.000 1.103 1094 N CA 0.940 54.041 53.050 0.085 0.000 0.707 1094 N CB -0.935 37.601 38.487 0.081 0.000 1.043 1094 N HN 0.574 nan 8.380 nan 0.000 0.553 1095 K N 1.040 121.366 120.400 -0.122 0.000 2.426 1095 K HA 0.235 4.560 4.320 0.007 0.000 0.254 1095 K C -0.517 175.773 176.600 -0.517 0.000 0.936 1095 K CA -0.507 55.576 56.287 -0.341 0.000 0.801 1095 K CB 1.454 33.658 32.500 -0.494 0.000 1.139 1095 K HN 0.020 nan 8.250 nan 0.000 0.424 1096 E N 3.309 123.315 120.200 -0.322 0.000 2.366 1096 E HA 0.021 4.375 4.350 0.007 0.000 0.266 1096 E C -1.021 175.378 176.600 -0.334 0.000 1.015 1096 E CA 0.459 56.737 56.400 -0.203 0.000 0.906 1096 E CB 0.459 30.084 29.700 -0.124 0.000 0.979 1096 E HN 0.395 nan 8.360 nan 0.000 0.443 1097 Y N 1.230 121.563 120.300 0.056 0.000 2.492 1097 Y HA 0.274 4.827 4.550 0.007 0.000 0.346 1097 Y C -0.610 175.347 175.900 0.094 0.000 0.997 1097 Y CA -1.208 56.967 58.100 0.125 0.000 1.025 1097 Y CB 1.344 40.021 38.460 0.361 0.000 1.263 1097 Y HN 0.436 nan 8.280 nan 0.000 0.454 1098 Y N 2.049 122.609 120.300 0.433 0.000 2.335 1098 Y HA 0.493 5.047 4.550 0.007 0.000 0.323 1098 Y C 0.119 176.145 175.900 0.210 0.000 1.224 1098 Y CA -0.720 57.578 58.100 0.330 0.000 1.241 1098 Y CB 1.015 39.596 38.460 0.202 0.000 1.235 1098 Y HN 0.346 nan 8.280 nan 0.000 0.492 1099 M N 2.965 122.727 119.600 0.270 0.000 2.300 1099 M HA 0.315 4.799 4.480 0.007 0.000 0.348 1099 M C -1.366 175.035 176.300 0.167 0.000 1.151 1099 M CA -0.532 54.747 55.300 -0.034 0.000 1.046 1099 M CB 1.367 33.681 32.600 -0.476 0.000 1.647 1099 M HN 0.583 nan 8.290 nan 0.000 0.451 1100 F N 3.292 123.233 119.950 -0.014 0.000 2.508 1100 F HA 0.482 5.013 4.527 0.007 0.000 0.325 1100 F C -0.690 175.122 175.800 0.021 0.000 1.090 1100 F CA -0.695 57.306 58.000 0.003 0.000 0.945 1100 F CB 1.127 40.085 39.000 -0.070 0.000 1.156 1100 F HN 0.482 nan 8.300 nan 0.000 0.463 1101 N N 4.315 122.450 118.700 -0.941 0.000 2.446 1101 N HA 0.325 5.069 4.740 0.007 0.000 0.265 1101 N C 0.315 175.106 175.510 -1.198 0.000 0.975 1101 N CA 0.222 52.626 53.050 -1.076 0.000 0.928 1101 N CB 1.998 39.871 38.487 -1.024 0.000 1.160 1101 N HN 0.895 nan 8.380 nan 0.000 0.495 1102 A N 2.802 125.156 122.820 -0.777 0.000 2.070 1102 A HA -0.027 4.297 4.320 0.007 0.000 0.220 1102 A C 1.646 179.050 177.584 -0.300 0.000 1.159 1102 A CA 1.774 53.580 52.037 -0.384 0.000 0.656 1102 A CB -0.335 18.621 19.000 -0.074 0.000 0.800 1102 A HN 0.697 nan 8.150 nan 0.000 0.453 1103 G N -1.423 107.159 108.800 -0.362 0.000 2.887 1103 G HA2 0.179 4.144 3.960 0.007 0.000 0.211 1103 G HA3 0.179 4.144 3.960 0.007 0.000 0.211 1103 G C 0.181 174.952 174.900 -0.216 0.000 1.152 1103 G CA 0.170 45.134 45.100 -0.226 0.000 0.769 1103 G HN 0.522 nan 8.290 nan 0.000 0.541 1104 N N -0.132 118.376 118.700 -0.319 0.000 2.703 1104 N HA 0.230 4.974 4.740 0.007 0.000 0.283 1104 N C 0.917 176.255 175.510 -0.287 0.000 1.851 1104 N CA -0.344 52.563 53.050 -0.238 0.000 0.826 1104 N CB 1.213 39.575 38.487 -0.210 0.000 1.239 1104 N HN -0.003 nan 8.380 nan 0.000 0.495 1105 K N 0.104 120.358 120.400 -0.244 0.000 2.077 1105 K HA -0.156 4.168 4.320 0.007 0.000 0.213 1105 K C 0.500 177.120 176.600 0.034 0.000 1.051 1105 K CA 1.252 57.457 56.287 -0.138 0.000 0.929 1105 K CB -0.005 32.570 32.500 0.125 0.000 0.715 1105 K HN 0.302 nan 8.250 nan 0.000 0.451 1106 N N 0.428 119.153 118.700 0.042 0.000 2.362 1106 N HA 0.032 4.776 4.740 0.007 0.000 0.204 1106 N C -0.688 174.874 175.510 0.087 0.000 1.166 1106 N CA 0.237 53.344 53.050 0.095 0.000 0.831 1106 N CB 0.607 39.147 38.487 0.087 0.000 1.008 1106 N HN 0.002 nan 8.380 nan 0.000 0.472 1107 S N 0.296 116.011 115.700 0.025 0.000 2.593 1107 S HA 0.618 5.092 4.470 0.007 0.000 0.297 1107 S C -0.594 174.069 174.600 0.106 0.000 1.112 1107 S CA -0.719 57.483 58.200 0.004 0.000 1.043 1107 S CB 1.287 64.443 63.200 -0.073 0.000 1.054 1107 S HN 0.372 nan 8.310 nan 0.000 0.516 1108 Y N -1.042 119.263 120.300 0.009 0.000 2.615 1108 Y HA 0.776 5.330 4.550 0.007 0.000 0.341 1108 Y C -1.466 174.445 175.900 0.017 0.000 1.089 1108 Y CA -1.516 56.606 58.100 0.037 0.000 1.049 1108 Y CB 0.528 39.020 38.460 0.053 0.000 1.296 1108 Y HN 0.482 nan 8.280 nan 0.000 0.470 1109 I N 2.792 123.474 120.570 0.187 0.000 2.353 1109 I HA 0.446 4.620 4.170 0.007 0.000 0.293 1109 I C -0.394 175.775 176.117 0.087 0.000 0.992 1109 I CA -0.669 60.628 61.300 -0.005 0.000 1.268 1109 I CB 1.560 39.431 38.000 -0.215 0.000 1.387 1109 I HN 0.614 nan 8.210 nan 0.000 0.478 1110 K N 5.988 126.367 120.400 -0.036 0.000 2.468 1110 K HA 0.417 4.742 4.320 0.007 0.000 0.252 1110 K C -1.287 175.275 176.600 -0.063 0.000 0.932 1110 K CA -0.949 55.338 56.287 0.001 0.000 0.794 1110 K CB 2.095 34.631 32.500 0.061 0.000 1.241 1110 K HN 0.441 nan 8.250 nan 0.000 0.428 1111 L N 3.962 125.139 121.223 -0.077 0.000 2.534 1111 L HA 0.149 4.493 4.340 0.007 0.000 0.271 1111 L C -0.113 176.762 176.870 0.009 0.000 1.178 1111 L CA 0.682 55.503 54.840 -0.032 0.000 0.907 1111 L CB 0.205 42.267 42.059 0.006 0.000 1.164 1111 L HN 0.574 nan 8.230 nan 0.000 0.482 1112 K N 4.427 124.851 120.400 0.041 0.000 2.412 1112 K HA -0.024 4.300 4.320 0.007 0.000 0.281 1112 K C 1.104 177.734 176.600 0.051 0.000 1.027 1112 K CA 0.145 56.457 56.287 0.042 0.000 0.989 1112 K CB 0.729 33.280 32.500 0.085 0.000 0.935 1112 K HN 0.785 nan 8.250 nan 0.000 0.475 1113 K N 2.672 123.090 120.400 0.031 0.000 2.044 1113 K HA -0.214 4.110 4.320 0.007 0.000 0.210 1113 K C 0.622 177.254 176.600 0.053 0.000 1.049 1113 K CA 2.508 58.814 56.287 0.032 0.000 0.927 1113 K CB 0.062 32.573 32.500 0.018 0.000 0.713 1113 K HN 0.759 nan 8.250 nan 0.000 0.443 1114 D N -1.123 119.311 120.400 0.056 0.000 2.349 1114 D HA 0.063 4.707 4.640 0.007 0.000 0.214 1114 D C -0.419 175.930 176.300 0.082 0.000 1.063 1114 D CA -0.329 53.709 54.000 0.064 0.000 0.847 1114 D CB 0.716 41.546 40.800 0.050 0.000 0.933 1114 D HN -0.092 nan 8.370 nan 0.000 0.513 1115 S N 0.334 116.093 115.700 0.100 0.000 2.569 1115 S HA 0.439 4.913 4.470 0.007 0.000 0.280 1115 S C -2.659 172.024 174.600 0.140 0.000 1.111 1115 S CA -1.189 57.081 58.200 0.117 0.000 0.887 1115 S CB 2.324 65.591 63.200 0.112 0.000 1.095 1115 S HN -0.027 nan 8.310 nan 0.000 0.476 1116 P HA 0.153 nan 4.420 nan 0.000 0.237 1116 P C -0.296 177.064 177.300 0.100 0.000 1.723 1116 P CA 0.068 63.203 63.100 0.057 0.000 0.882 1116 P CB -0.599 31.026 31.700 -0.125 0.000 1.810 1117 V N -3.532 116.484 119.914 0.171 0.000 3.102 1117 V HA 0.941 5.066 4.120 0.007 0.000 0.312 1117 V C -0.086 176.142 176.094 0.224 0.000 1.135 1117 V CA -1.191 61.247 62.300 0.230 0.000 1.022 1117 V CB 1.762 33.745 31.823 0.266 0.000 1.056 1117 V HN 0.086 nan 8.190 nan 0.000 0.436 1118 G N 1.706 110.680 108.800 0.292 0.000 2.377 1118 G HA2 0.585 4.550 3.960 0.007 0.000 0.316 1118 G HA3 0.585 4.550 3.960 0.007 0.000 0.316 1118 G C -0.288 174.687 174.900 0.126 0.000 1.115 1118 G CA -0.348 44.855 45.100 0.172 0.000 0.952 1118 G HN 1.069 nan 8.290 nan 0.000 0.441 1119 E N 2.226 122.387 120.200 -0.064 0.000 2.319 1119 E HA 0.406 4.760 4.350 0.007 0.000 0.268 1119 E C -0.556 175.885 176.600 -0.266 0.000 1.050 1119 E CA -0.833 55.368 56.400 -0.332 0.000 0.878 1119 E CB 1.502 30.995 29.700 -0.345 0.000 1.066 1119 E HN 0.109 nan 8.360 nan 0.000 0.406 1120 I N 3.140 123.523 120.570 -0.312 0.000 2.312 1120 I HA 0.275 4.449 4.170 0.007 0.000 0.290 1120 I C -0.041 175.867 176.117 -0.348 0.000 1.008 1120 I CA -0.556 60.593 61.300 -0.252 0.000 1.226 1120 I CB 0.347 38.283 38.000 -0.106 0.000 1.371 1120 I HN 0.571 nan 8.210 nan 0.000 0.468 1121 L N 4.779 125.646 121.223 -0.593 0.000 2.313 1121 L HA 0.558 4.902 4.340 0.007 0.000 0.268 1121 L C 0.421 176.985 176.870 -0.510 0.000 1.010 1121 L CA -0.811 53.659 54.840 -0.616 0.000 0.814 1121 L CB 1.804 43.380 42.059 -0.805 0.000 1.304 1121 L HN 0.423 nan 8.230 nan 0.000 0.441 1122 T N 0.834 115.280 114.554 -0.180 0.000 2.780 1122 T HA 0.292 4.646 4.350 0.007 0.000 0.294 1122 T C 0.189 175.050 174.700 0.268 0.000 0.949 1122 T CA -0.534 61.584 62.100 0.030 0.000 1.074 1122 T CB 0.422 69.308 68.868 0.031 0.000 0.910 1122 T HN 0.376 nan 8.240 nan 0.000 0.501 1123 R N 2.306 123.006 120.500 0.333 0.000 2.585 1123 R HA 0.164 4.509 4.340 0.007 0.000 0.275 1123 R C 1.026 177.435 176.300 0.181 0.000 1.018 1123 R CA -0.175 56.111 56.100 0.310 0.000 1.072 1123 R CB 0.251 30.676 30.300 0.208 0.000 0.953 1123 R HN 0.775 nan 8.270 nan 0.000 0.419 1124 S N 2.055 117.828 115.700 0.123 0.000 2.608 1124 S HA 0.334 4.808 4.470 0.007 0.000 0.261 1124 S C -0.224 174.421 174.600 0.074 0.000 1.314 1124 S CA -0.699 57.549 58.200 0.080 0.000 0.992 1124 S CB 1.045 64.274 63.200 0.048 0.000 0.935 1124 S HN 0.539 nan 8.310 nan 0.000 0.564 1125 K N -1.112 119.308 120.400 0.034 0.000 2.439 1125 K HA 0.466 4.790 4.320 0.007 0.000 0.260 1125 K C -1.182 175.356 176.600 -0.104 0.000 1.032 1125 K CA -1.146 55.139 56.287 -0.005 0.000 0.882 1125 K CB -0.378 32.124 32.500 0.004 0.000 1.420 1125 K HN 0.533 nan 8.250 nan 0.000 0.455 1126 Y N 1.806 121.824 120.300 -0.471 0.000 2.865 1126 Y HA -0.035 4.520 4.550 0.007 0.000 0.338 1126 Y C 0.137 175.907 175.900 -0.217 0.000 1.269 1126 Y CA 0.488 58.257 58.100 -0.552 0.000 1.585 1126 Y CB 0.070 38.007 38.460 -0.873 0.000 1.224 1126 Y HN 0.677 nan 8.280 nan 0.000 0.554 1127 N N 3.798 122.096 118.700 -0.669 0.000 2.432 1127 N HA -0.036 4.708 4.740 0.007 0.000 0.174 1127 N C 0.143 175.246 175.510 -0.678 0.000 1.037 1127 N CA 0.403 53.133 53.050 -0.534 0.000 0.892 1127 N CB 0.081 38.414 38.487 -0.257 0.000 1.049 1127 N HN 0.754 nan 8.380 nan 0.000 0.442 1128 Q N 0.928 120.148 119.800 -0.966 0.000 2.793 1128 Q HA -0.028 4.316 4.340 0.007 0.000 0.220 1128 Q C 0.604 176.373 176.000 -0.385 0.000 1.123 1128 Q CA 0.382 55.866 55.803 -0.531 0.000 1.073 1128 Q CB 0.202 28.826 28.738 -0.189 0.000 1.315 1128 Q HN 0.340 nan 8.270 nan 0.000 0.619 1129 N N -1.296 117.355 118.700 -0.083 0.000 2.268 1129 N HA 0.011 4.755 4.740 0.007 0.000 0.204 1129 N C -0.358 175.201 175.510 0.082 0.000 1.124 1129 N CA -0.131 52.915 53.050 -0.007 0.000 0.838 1129 N CB 0.602 39.075 38.487 -0.023 0.000 0.994 1129 N HN 0.239 nan 8.380 nan 0.000 0.489 1130 S N 0.757 116.588 115.700 0.218 0.000 2.549 1130 S HA 0.010 4.484 4.470 0.007 0.000 0.286 1130 S C 1.234 175.863 174.600 0.049 0.000 1.314 1130 S CA -0.477 57.804 58.200 0.136 0.000 1.062 1130 S CB 0.541 63.838 63.200 0.161 0.000 0.865 1130 S HN 0.573 nan 8.310 nan 0.000 0.498 1131 K N 3.621 123.934 120.400 -0.144 0.000 2.418 1131 K HA 0.014 4.338 4.320 0.007 0.000 0.195 1131 K C 0.798 177.243 176.600 -0.257 0.000 1.035 1131 K CA 0.903 57.052 56.287 -0.229 0.000 1.003 1131 K CB -0.193 32.091 32.500 -0.360 0.000 0.793 1131 K HN 0.736 nan 8.250 nan 0.000 0.494 1132 Y N 2.174 122.437 120.300 -0.061 0.000 2.517 1132 Y HA 0.211 4.765 4.550 0.007 0.000 0.281 1132 Y C 1.234 177.025 175.900 -0.183 0.000 1.125 1132 Y CA -0.510 57.525 58.100 -0.108 0.000 1.283 1132 Y CB 0.209 38.593 38.460 -0.127 0.000 1.042 1132 Y HN 0.111 nan 8.280 nan 0.000 0.547 1133 I N -2.157 118.341 120.570 -0.120 0.000 2.892 1133 I HA 0.523 4.697 4.170 0.007 0.000 0.306 1133 I C -0.971 175.020 176.117 -0.211 0.000 1.078 1133 I CA -1.130 60.009 61.300 -0.270 0.000 1.032 1133 I CB 2.491 40.102 38.000 -0.649 0.000 1.229 1133 I HN -0.094 nan 8.210 nan 0.000 0.435 1134 N N 2.579 121.242 118.700 -0.062 0.000 2.710 1134 N HA 0.444 5.188 4.740 0.007 0.000 0.257 1134 N C -2.181 173.457 175.510 0.215 0.000 1.140 1134 N CA -0.222 52.847 53.050 0.031 0.000 0.953 1134 N CB 2.795 41.340 38.487 0.098 0.000 1.664 1134 N HN 0.863 nan 8.380 nan 0.000 0.497 1135 Y N -0.567 119.877 120.300 0.239 0.000 2.774 1135 Y HA 0.566 5.121 4.550 0.008 0.000 0.346 1135 Y C -1.798 174.260 175.900 0.263 0.000 1.222 1135 Y CA -1.107 57.163 58.100 0.283 0.000 1.088 1135 Y CB 0.566 39.258 38.460 0.386 0.000 1.354 1135 Y HN 0.294 nan 8.280 nan 0.000 0.455 1136 R N 1.478 122.269 120.500 0.485 0.000 2.532 1136 R HA 0.321 4.665 4.340 0.007 0.000 0.295 1136 R C -1.217 175.339 176.300 0.427 0.000 0.968 1136 R CA -0.876 55.418 56.100 0.324 0.000 0.916 1136 R CB 1.322 31.755 30.300 0.222 0.000 1.124 1136 R HN 0.799 nan 8.270 nan 0.000 0.463 1137 D N 2.376 122.953 120.400 0.295 0.000 2.443 1137 D HA 0.010 4.654 4.640 0.007 0.000 0.239 1137 D C 1.193 177.462 176.300 -0.052 0.000 1.136 1137 D CA 0.276 54.396 54.000 0.200 0.000 0.879 1137 D CB 1.130 41.987 40.800 0.095 0.000 1.195 1137 D HN 0.362 nan 8.370 nan 0.000 0.443 1138 L N 1.202 122.267 121.223 -0.263 0.000 2.537 1138 L HA 0.038 4.382 4.340 0.007 0.000 0.224 1138 L C 0.415 176.976 176.870 -0.514 0.000 1.065 1138 L CA 0.133 54.660 54.840 -0.520 0.000 0.860 1138 L CB 0.156 41.627 42.059 -0.979 0.000 1.086 1138 L HN 0.319 nan 8.230 nan 0.000 0.482 1139 Y N 1.755 121.759 120.300 -0.494 0.000 2.767 1139 Y HA 0.469 5.023 4.550 0.007 0.000 0.354 1139 Y C 0.035 175.318 175.900 -1.028 0.000 1.292 1139 Y CA -0.887 56.540 58.100 -1.122 0.000 1.749 1139 Y CB -0.301 37.860 38.460 -0.499 0.000 1.841 1139 Y HN -0.000 nan 8.280 nan 0.000 0.454 1140 I N -0.506 119.605 120.570 -0.765 0.000 2.994 1140 I HA 0.825 4.999 4.170 0.007 0.000 0.306 1140 I C 0.232 176.209 176.117 -0.232 0.000 1.195 1140 I CA -0.300 60.714 61.300 -0.475 0.000 1.001 1140 I CB 2.217 39.833 38.000 -0.640 0.000 1.244 1140 I HN 0.496 nan 8.210 nan 0.000 0.437 1141 G N 4.155 112.860 108.800 -0.159 0.000 2.728 1141 G HA2 -0.118 3.846 3.960 0.007 0.000 0.294 1141 G HA3 -0.118 3.846 3.960 0.007 0.000 0.294 1141 G C -0.936 174.116 174.900 0.252 0.000 1.342 1141 G CA -0.694 44.527 45.100 0.202 0.000 0.866 1141 G HN 0.708 nan 8.290 nan 0.000 0.534 1142 E N 0.614 120.885 120.200 0.120 0.000 2.437 1142 E HA 0.174 4.528 4.350 0.007 0.000 0.263 1142 E C 0.526 177.056 176.600 -0.117 0.000 1.030 1142 E CA 0.356 56.683 56.400 -0.122 0.000 0.934 1142 E CB 0.442 29.765 29.700 -0.628 0.000 0.943 1142 E HN 0.475 nan 8.360 nan 0.000 0.444 1143 K N 2.797 123.127 120.400 -0.118 0.000 2.263 1143 K HA 0.252 4.576 4.320 0.007 0.000 0.282 1143 K C -0.338 176.225 176.600 -0.062 0.000 1.089 1143 K CA -0.216 55.989 56.287 -0.136 0.000 0.907 1143 K CB 0.311 32.773 32.500 -0.064 0.000 1.148 1143 K HN 0.216 nan 8.250 nan 0.000 0.470 1144 F N 2.379 122.395 119.950 0.110 0.000 2.368 1144 F HA 0.514 5.045 4.527 0.007 0.000 0.315 1144 F C 0.463 176.350 175.800 0.145 0.000 1.145 1144 F CA -0.850 57.255 58.000 0.174 0.000 1.095 1144 F CB 0.790 39.932 39.000 0.236 0.000 1.286 1144 F HN 0.327 nan 8.300 nan 0.000 0.530 1145 I N 1.683 122.428 120.570 0.293 0.000 2.680 1145 I HA 0.372 4.546 4.170 0.007 0.000 0.291 1145 I C -1.467 174.746 176.117 0.161 0.000 1.244 1145 I CA -0.419 60.980 61.300 0.165 0.000 1.042 1145 I CB 1.349 39.387 38.000 0.063 0.000 1.277 1145 I HN 0.372 nan 8.210 nan 0.000 0.423 1146 I N 7.132 127.783 120.570 0.135 0.000 2.342 1146 I HA 0.426 4.600 4.170 0.007 0.000 0.291 1146 I C -0.207 176.072 176.117 0.271 0.000 1.010 1146 I CA -0.657 60.718 61.300 0.125 0.000 1.308 1146 I CB 0.682 38.630 38.000 -0.087 0.000 1.400 1146 I HN 0.374 nan 8.210 nan 0.000 0.488 1147 R N 5.754 126.421 120.500 0.278 0.000 2.664 1147 R HA 0.531 4.876 4.340 0.007 0.000 0.286 1147 R C -0.374 175.983 176.300 0.095 0.000 0.967 1147 R CA -1.062 55.176 56.100 0.230 0.000 0.933 1147 R CB 1.518 31.959 30.300 0.234 0.000 1.146 1147 R HN 0.559 nan 8.270 nan 0.000 0.468 1148 R N 1.199 121.548 120.500 -0.252 0.000 2.543 1148 R HA 0.002 4.346 4.340 0.007 0.000 0.277 1148 R C 1.157 177.285 176.300 -0.288 0.000 1.074 1148 R CA -0.050 55.756 56.100 -0.490 0.000 1.076 1148 R CB 0.785 30.685 30.300 -0.667 0.000 0.993 1148 R HN 0.432 nan 8.270 nan 0.000 0.459 1149 K N 1.704 121.897 120.400 -0.345 0.000 2.005 1149 K HA -0.046 4.279 4.320 0.007 0.000 0.206 1149 K C 0.701 177.200 176.600 -0.169 0.000 1.044 1149 K CA 1.491 57.512 56.287 -0.443 0.000 0.942 1149 K CB -0.039 32.235 32.500 -0.377 0.000 0.727 1149 K HN 0.601 nan 8.250 nan 0.000 0.439 1150 S N 0.861 116.491 115.700 -0.116 0.000 2.590 1150 S HA 0.200 4.674 4.470 0.007 0.000 0.282 1150 S C -0.819 173.747 174.600 -0.057 0.000 1.136 1150 S CA -0.259 57.907 58.200 -0.058 0.000 1.030 1150 S CB -0.117 63.060 63.200 -0.039 0.000 1.195 1150 S HN 0.570 nan 8.310 nan 0.000 0.506 1151 N N 0.200 118.879 118.700 -0.034 0.000 2.493 1151 N HA -0.183 4.561 4.740 0.007 0.000 0.300 1151 N C -0.065 175.427 175.510 -0.029 0.000 1.407 1151 N CA 0.762 53.794 53.050 -0.030 0.000 0.656 1151 N CB -1.401 37.062 38.487 -0.040 0.000 0.995 1151 N HN 1.101 nan 8.380 nan 0.000 0.497 1152 S N -0.721 114.972 115.700 -0.010 0.000 3.048 1152 S HA 0.133 4.607 4.470 0.007 0.000 0.254 1152 S C 1.428 176.024 174.600 -0.008 0.000 1.084 1152 S CA 0.577 58.775 58.200 -0.003 0.000 1.195 1152 S CB -0.077 63.128 63.200 0.009 0.000 0.870 1152 S HN 0.957 nan 8.310 nan 0.000 0.483 1153 Q N 0.563 120.351 119.800 -0.020 0.000 2.307 1153 Q HA 0.492 4.836 4.340 0.007 0.000 0.216 1153 Q C 0.772 176.762 176.000 -0.017 0.000 0.931 1153 Q CA 0.387 56.179 55.803 -0.018 0.000 0.953 1153 Q CB -1.399 27.323 28.738 -0.026 0.000 1.006 1153 Q HN 0.782 nan 8.270 nan 0.000 0.472 1154 S N -1.057 114.637 115.700 -0.010 0.000 3.740 1154 S HA -0.193 4.281 4.470 0.007 0.000 0.637 1154 S C 0.376 174.971 174.600 -0.009 0.000 2.126 1154 S CA 0.504 58.702 58.200 -0.003 0.000 2.309 1154 S CB -1.193 62.008 63.200 0.001 0.000 0.330 1154 S HN 1.598 nan 8.310 nan 0.000 1.786 1155 I N -2.037 118.535 120.570 0.004 0.000 2.862 1155 I HA 0.634 4.808 4.170 0.007 0.000 0.285 1155 I C 0.414 176.542 176.117 0.018 0.000 1.339 1155 I CA -0.135 61.171 61.300 0.010 0.000 1.002 1155 I CB 0.094 38.112 38.000 0.030 0.000 1.618 1155 I HN 0.635 nan 8.210 nan 0.000 0.593 1156 N N 3.104 121.811 118.700 0.011 0.000 2.319 1156 N HA 0.122 4.866 4.740 0.007 0.000 0.189 1156 N C 0.504 176.027 175.510 0.022 0.000 1.042 1156 N CA 1.294 54.352 53.050 0.014 0.000 0.879 1156 N CB 0.146 38.637 38.487 0.007 0.000 1.052 1156 N HN 0.734 nan 8.380 nan 0.000 0.446 1157 D N -2.747 117.672 120.400 0.031 0.000 3.064 1157 D HA 0.348 4.993 4.640 0.007 0.000 0.288 1157 D C -2.309 174.037 176.300 0.076 0.000 1.140 1157 D CA -0.283 53.751 54.000 0.057 0.000 0.725 1157 D CB 1.457 42.271 40.800 0.024 0.000 1.295 1157 D HN 0.344 nan 8.370 nan 0.000 0.448 1158 D N -0.760 119.715 120.400 0.126 0.000 2.972 1158 D HA 0.309 4.953 4.640 0.007 0.000 0.294 1158 D C -1.253 175.135 176.300 0.147 0.000 1.211 1158 D CA -0.468 53.619 54.000 0.144 0.000 0.732 1158 D CB 0.749 41.654 40.800 0.176 0.000 1.257 1158 D HN 0.284 nan 8.370 nan 0.000 0.435 1159 I N 1.331 121.951 120.570 0.084 0.000 2.365 1159 I HA 0.347 4.521 4.170 0.007 0.000 0.291 1159 I C -0.025 176.067 176.117 -0.042 0.000 1.004 1159 I CA -0.903 60.365 61.300 -0.053 0.000 1.311 1159 I CB 1.441 39.374 38.000 -0.111 0.000 1.401 1159 I HN 0.114 nan 8.210 nan 0.000 0.491 1160 V N 7.514 127.244 119.914 -0.306 0.000 2.432 1160 V HA 0.303 4.427 4.120 0.007 0.000 0.271 1160 V C 0.419 176.433 176.094 -0.134 0.000 1.046 1160 V CA -0.437 61.610 62.300 -0.421 0.000 0.945 1160 V CB 0.407 31.808 31.823 -0.703 0.000 0.992 1160 V HN 0.692 nan 8.190 nan 0.000 0.471 1161 R N 3.244 123.718 120.500 -0.044 0.000 2.668 1161 R HA 0.497 4.841 4.340 0.007 0.000 0.279 1161 R C -0.333 175.910 176.300 -0.096 0.000 0.976 1161 R CA -1.069 55.009 56.100 -0.036 0.000 0.978 1161 R CB 1.760 32.060 30.300 0.001 0.000 1.133 1161 R HN 0.592 nan 8.270 nan 0.000 0.484 1162 K N 2.344 122.668 120.400 -0.127 0.000 2.524 1162 K HA -0.122 4.202 4.320 0.007 0.000 0.279 1162 K C 0.050 176.546 176.600 -0.173 0.000 0.993 1162 K CA 0.539 56.727 56.287 -0.166 0.000 1.030 1162 K CB 0.250 32.643 32.500 -0.179 0.000 0.891 1162 K HN 0.623 nan 8.250 nan 0.000 0.488 1163 E N -0.296 119.766 120.200 -0.230 0.000 4.028 1163 E HA -0.189 4.166 4.350 0.007 0.000 0.343 1163 E C -0.692 175.671 176.600 -0.396 0.000 0.700 1163 E CA 0.978 57.199 56.400 -0.297 0.000 1.288 1163 E CB -1.170 28.402 29.700 -0.214 0.000 1.677 1163 E HN 0.711 nan 8.360 nan 0.000 0.424 1164 D N -0.046 120.197 120.400 -0.262 0.000 2.400 1164 D HA 0.150 4.794 4.640 0.007 0.000 0.238 1164 D C 0.150 176.250 176.300 -0.333 0.000 1.157 1164 D CA 0.460 54.346 54.000 -0.190 0.000 0.889 1164 D CB 0.178 40.987 40.800 0.014 0.000 1.199 1164 D HN 0.004 nan 8.370 nan 0.000 0.436 1165 Y N 1.004 121.273 120.300 -0.052 0.000 2.320 1165 Y HA 0.389 4.943 4.550 0.007 0.000 0.334 1165 Y C 0.740 176.554 175.900 -0.144 0.000 1.055 1165 Y CA -0.624 57.413 58.100 -0.106 0.000 1.143 1165 Y CB 0.776 39.166 38.460 -0.117 0.000 1.193 1165 Y HN 0.181 nan 8.280 nan 0.000 0.477 1166 I N -1.090 119.457 120.570 -0.039 0.000 3.343 1166 I HA 0.609 4.783 4.170 0.007 0.000 0.315 1166 I C -1.909 174.121 176.117 -0.146 0.000 1.153 1166 I CA -1.428 59.821 61.300 -0.085 0.000 0.952 1166 I CB 2.829 40.861 38.000 0.054 0.000 1.287 1166 I HN 0.417 nan 8.210 nan 0.000 0.472 1167 Y N 1.794 122.138 120.300 0.072 0.000 2.364 1167 Y HA 0.575 5.129 4.550 0.007 0.000 0.340 1167 Y C -0.719 175.213 175.900 0.054 0.000 0.975 1167 Y CA -1.073 57.053 58.100 0.044 0.000 1.089 1167 Y CB 2.354 40.836 38.460 0.037 0.000 1.192 1167 Y HN 0.382 nan 8.280 nan 0.000 0.454 1168 L N 4.902 126.257 121.223 0.220 0.000 2.264 1168 L HA 0.483 4.828 4.340 0.007 0.000 0.287 1168 L C -1.092 175.948 176.870 0.284 0.000 1.039 1168 L CA -0.085 54.891 54.840 0.227 0.000 0.829 1168 L CB -0.094 42.080 42.059 0.192 0.000 1.211 1168 L HN 0.560 nan 8.230 nan 0.000 0.427 1169 D N 4.025 124.584 120.400 0.265 0.000 2.449 1169 D HA 0.713 5.357 4.640 0.007 0.000 0.250 1169 D C -0.885 175.563 176.300 0.247 0.000 1.050 1169 D CA 0.254 54.363 54.000 0.181 0.000 1.024 1169 D CB 1.587 42.351 40.800 -0.059 0.000 1.218 1169 D HN 0.331 nan 8.370 nan 0.000 0.566 1170 F N -1.816 117.966 119.950 -0.279 0.000 2.741 1170 F HA 0.611 5.142 4.527 0.007 0.000 0.311 1170 F C -1.948 173.505 175.800 -0.577 0.000 1.149 1170 F CA -1.434 56.259 58.000 -0.512 0.000 0.930 1170 F CB 0.519 39.057 39.000 -0.770 0.000 1.312 1170 F HN 0.042 nan 8.300 nan 0.000 0.450 1171 F N 2.182 121.984 119.950 -0.247 0.000 2.410 1171 F HA 0.411 4.942 4.527 0.007 0.000 0.349 1171 F C 0.271 175.832 175.800 -0.399 0.000 1.117 1171 F CA -0.502 57.299 58.000 -0.332 0.000 1.104 1171 F CB 1.148 40.038 39.000 -0.184 0.000 1.122 1171 F HN 0.577 nan 8.300 nan 0.000 0.483 1172 N N 5.792 124.209 118.700 -0.472 0.000 2.707 1172 N HA 0.470 5.214 4.740 0.007 0.000 0.235 1172 N C 0.065 175.376 175.510 -0.331 0.000 1.028 1172 N CA 0.021 52.719 53.050 -0.586 0.000 0.906 1172 N CB 0.082 37.708 38.487 -1.435 0.000 1.131 1172 N HN 0.763 nan 8.380 nan 0.000 0.509 1173 L N 0.838 121.964 121.223 -0.161 0.000 6.599 1173 L HA -0.433 3.911 4.340 0.007 0.000 0.053 1173 L C 0.957 177.791 176.870 -0.061 0.000 2.154 1173 L CA 1.282 56.063 54.840 -0.099 0.000 1.573 1173 L CB -1.025 40.974 42.059 -0.100 0.000 2.834 1173 L HN 0.475 nan 8.230 nan 0.000 1.072 1174 N N 0.483 119.157 118.700 -0.043 0.000 2.449 1174 N HA 0.055 4.799 4.740 0.007 0.000 0.191 1174 N C -0.181 175.356 175.510 0.045 0.000 1.161 1174 N CA 0.568 53.611 53.050 -0.011 0.000 0.863 1174 N CB 0.241 38.722 38.487 -0.011 0.000 0.980 1174 N HN 0.295 nan 8.380 nan 0.000 0.458 1175 Q N -0.174 119.652 119.800 0.044 0.000 2.348 1175 Q HA 0.264 4.608 4.340 0.007 0.000 0.271 1175 Q C -1.098 174.956 176.000 0.090 0.000 1.067 1175 Q CA -0.745 55.121 55.803 0.105 0.000 0.839 1175 Q CB 2.097 30.950 28.738 0.190 0.000 1.354 1175 Q HN 0.192 nan 8.270 nan 0.000 0.447 1176 E N 1.511 121.767 120.200 0.094 0.000 2.109 1176 E HA 0.200 4.554 4.350 0.007 0.000 0.278 1176 E C -1.284 175.296 176.600 -0.033 0.000 0.954 1176 E CA -0.453 55.856 56.400 -0.152 0.000 0.779 1176 E CB 0.708 30.304 29.700 -0.174 0.000 1.093 1176 E HN 0.353 nan 8.360 nan 0.000 0.401 1177 W N 2.765 123.646 121.300 -0.699 0.000 2.492 1177 W HA 0.520 5.184 4.660 0.007 0.000 0.373 1177 W C 0.291 176.552 176.519 -0.430 0.000 1.323 1177 W CA -0.800 56.165 57.345 -0.633 0.000 1.406 1177 W CB 0.777 29.631 29.460 -1.010 0.000 1.398 1177 W HN 0.461 nan 8.180 nan 0.000 0.671 1178 R N -0.123 120.372 120.500 -0.008 0.000 2.808 1178 R HA 0.685 5.029 4.340 0.007 0.000 0.272 1178 R C -1.821 174.432 176.300 -0.077 0.000 0.995 1178 R CA -0.681 55.339 56.100 -0.133 0.000 0.917 1178 R CB 1.834 31.806 30.300 -0.547 0.000 1.217 1178 R HN 0.226 nan 8.270 nan 0.000 0.471 1179 V N 3.879 123.772 119.914 -0.036 0.000 2.383 1179 V HA 0.413 4.537 4.120 0.007 0.000 0.275 1179 V C -1.031 175.090 176.094 0.044 0.000 1.036 1179 V CA -0.262 62.129 62.300 0.152 0.000 0.889 1179 V CB 0.740 32.770 31.823 0.344 0.000 0.985 1179 V HN 0.601 nan 8.190 nan 0.000 0.459 1180 Y N 1.700 122.201 120.300 0.336 0.000 2.630 1180 Y HA 0.682 5.237 4.550 0.007 0.000 0.337 1180 Y C 0.519 176.529 175.900 0.184 0.000 1.051 1180 Y CA -0.986 57.315 58.100 0.335 0.000 1.121 1180 Y CB 2.204 40.831 38.460 0.280 0.000 1.299 1180 Y HN 0.424 nan 8.280 nan 0.000 0.498 1181 T N 1.180 115.876 114.554 0.237 0.000 2.840 1181 T HA 0.160 4.514 4.350 0.007 0.000 0.287 1181 T C -1.473 173.348 174.700 0.203 0.000 0.991 1181 T CA -0.619 61.455 62.100 -0.043 0.000 0.964 1181 T CB 0.120 68.587 68.868 -0.669 0.000 0.954 1181 T HN 0.413 nan 8.240 nan 0.000 0.438 1182 Y N 3.810 124.143 120.300 0.056 0.000 2.632 1182 Y HA 0.092 4.646 4.550 0.007 0.000 0.329 1182 Y C 1.419 177.135 175.900 -0.307 0.000 1.174 1182 Y CA -0.329 57.559 58.100 -0.353 0.000 1.469 1182 Y CB 0.494 38.784 38.460 -0.284 0.000 1.242 1182 Y HN 0.614 nan 8.280 nan 0.000 0.540 1183 K N 4.183 123.876 120.400 -1.178 0.000 2.152 1183 K HA -0.189 4.135 4.320 0.007 0.000 0.206 1183 K C -0.104 175.820 176.600 -1.127 0.000 1.048 1183 K CA 1.596 57.104 56.287 -1.299 0.000 0.933 1183 K CB -0.141 31.218 32.500 -1.903 0.000 0.721 1183 K HN 0.671 nan 8.250 nan 0.000 0.447 1184 Y N 0.621 120.295 120.300 -1.042 0.000 2.801 1184 Y HA 0.167 4.722 4.550 0.007 0.000 0.318 1184 Y C -0.112 175.706 175.900 -0.136 0.000 1.073 1184 Y CA -1.641 56.132 58.100 -0.545 0.000 1.360 1184 Y CB -0.816 37.351 38.460 -0.488 0.000 1.220 1184 Y HN -0.063 nan 8.280 nan 0.000 0.536 1185 F N -0.983 118.934 119.950 -0.054 0.000 2.412 1185 F HA 0.509 5.040 4.527 0.007 0.000 0.348 1185 F C 0.636 176.481 175.800 0.075 0.000 1.102 1185 F CA -1.411 56.660 58.000 0.119 0.000 1.196 1185 F CB 1.009 40.094 39.000 0.143 0.000 1.144 1185 F HN -0.119 nan 8.300 nan 0.000 0.541 1186 K N 1.966 122.373 120.400 0.011 0.000 2.354 1186 K HA 0.141 4.465 4.320 0.007 0.000 0.194 1186 K C 0.368 176.941 176.600 -0.046 0.000 1.045 1186 K CA 0.001 56.230 56.287 -0.097 0.000 1.026 1186 K CB 0.231 32.724 32.500 -0.011 0.000 0.866 1186 K HN 0.606 nan 8.250 nan 0.000 0.530 1187 K N 1.064 121.533 120.400 0.116 0.000 2.136 1187 K HA -0.023 4.301 4.320 0.007 0.000 0.237 1187 K C 0.988 177.689 176.600 0.167 0.000 1.048 1187 K CA -0.054 56.318 56.287 0.141 0.000 0.880 1187 K CB 0.496 33.107 32.500 0.185 0.000 1.105 1187 K HN -0.143 nan 8.250 nan 0.000 0.507 1188 E N 0.998 121.266 120.200 0.113 0.000 2.150 1188 E HA -0.148 4.206 4.350 0.007 0.000 0.193 1188 E C -0.064 176.664 176.600 0.212 0.000 0.985 1188 E CA 1.282 57.752 56.400 0.116 0.000 0.814 1188 E CB 0.326 30.046 29.700 0.034 0.000 0.752 1188 E HN 0.497 nan 8.360 nan 0.000 0.466 1189 E N -0.446 119.844 120.200 0.150 0.000 2.458 1189 E HA 0.338 4.692 4.350 0.007 0.000 0.278 1189 E C -0.773 175.840 176.600 0.022 0.000 1.004 1189 E CA -0.860 55.578 56.400 0.064 0.000 0.823 1189 E CB 1.247 30.827 29.700 -0.200 0.000 1.396 1189 E HN 0.185 nan 8.360 nan 0.000 0.463 1190 E N 0.104 120.234 120.200 -0.117 0.000 2.401 1190 E HA 0.416 4.771 4.350 0.007 0.000 0.280 1190 E C -1.312 175.293 176.600 0.009 0.000 1.039 1190 E CA -1.006 55.351 56.400 -0.070 0.000 0.814 1190 E CB 1.511 31.001 29.700 -0.351 0.000 1.275 1190 E HN 0.312 nan 8.360 nan 0.000 0.448 1191 K N 1.722 122.158 120.400 0.059 0.000 2.350 1191 K HA 0.250 4.574 4.320 0.007 0.000 0.279 1191 K C -0.001 176.643 176.600 0.073 0.000 1.027 1191 K CA -0.279 56.050 56.287 0.069 0.000 0.969 1191 K CB 0.551 33.004 32.500 -0.079 0.000 0.954 1191 K HN 0.329 nan 8.250 nan 0.000 0.474 1192 L N 2.700 123.976 121.223 0.088 0.000 2.452 1192 L HA 0.168 4.512 4.340 0.007 0.000 0.267 1192 L C 0.075 177.111 176.870 0.277 0.000 1.188 1192 L CA -0.290 54.608 54.840 0.097 0.000 0.821 1192 L CB 0.102 42.111 42.059 -0.083 0.000 1.102 1192 L HN 0.497 nan 8.230 nan 0.000 0.470 1193 F N 3.279 123.332 119.950 0.171 0.000 2.388 1193 F HA 0.436 4.967 4.527 0.007 0.000 0.358 1193 F C -0.598 175.365 175.800 0.271 0.000 1.122 1193 F CA -0.629 57.477 58.000 0.177 0.000 1.056 1193 F CB 0.579 39.636 39.000 0.095 0.000 1.155 1193 F HN 0.108 nan 8.300 nan 0.000 0.461 1194 L N 7.046 128.186 121.223 -0.138 0.000 2.272 1194 L HA 0.844 5.188 4.340 0.007 0.000 0.289 1194 L C -0.210 176.559 176.870 -0.169 0.000 1.032 1194 L CA -0.605 54.309 54.840 0.124 0.000 0.810 1194 L CB 0.786 43.077 42.059 0.386 0.000 1.205 1194 L HN 0.803 nan 8.230 nan 0.000 0.422 1195 A N 5.062 127.768 122.820 -0.191 0.000 2.581 1195 A HA 0.854 5.179 4.320 0.007 0.000 0.290 1195 A C -2.899 174.091 177.584 -0.991 0.000 1.119 1195 A CA -1.335 50.182 52.037 -0.868 0.000 0.670 1195 A CB 1.585 20.050 19.000 -0.892 0.000 1.280 1195 A HN 0.398 nan 8.150 nan 0.000 0.425 1196 P HA 0.231 nan 4.420 nan 0.000 0.270 1196 P C -0.526 176.564 177.300 -0.350 0.000 1.227 1196 P CA 0.074 62.539 63.100 -1.058 0.000 0.788 1196 P CB 0.241 31.495 31.700 -0.742 0.000 0.926 1197 I N 0.910 121.364 120.570 -0.194 0.000 2.533 1197 I HA 0.162 4.336 4.170 0.007 0.000 0.284 1197 I C 0.715 176.806 176.117 -0.043 0.000 1.109 1197 I CA 1.133 62.400 61.300 -0.055 0.000 1.412 1197 I CB -0.113 37.834 38.000 -0.087 0.000 1.396 1197 I HN 0.450 nan 8.210 nan 0.000 0.543 1198 S N 3.977 119.692 115.700 0.026 0.000 2.627 1198 S HA 0.279 4.753 4.470 0.007 0.000 0.268 1198 S C -1.466 173.135 174.600 0.002 0.000 1.130 1198 S CA -1.106 57.077 58.200 -0.028 0.000 0.819 1198 S CB 2.089 65.234 63.200 -0.091 0.000 1.100 1198 S HN 0.601 nan 8.310 nan 0.000 0.465 1199 D N 1.247 121.645 120.400 -0.004 0.000 2.461 1199 D HA 0.493 5.137 4.640 0.007 0.000 0.240 1199 D C -0.999 175.312 176.300 0.017 0.000 1.094 1199 D CA 0.057 54.075 54.000 0.030 0.000 0.868 1199 D CB 1.675 42.501 40.800 0.043 0.000 1.062 1199 D HN 0.532 nan 8.370 nan 0.000 0.530 1200 S N 2.750 118.462 115.700 0.020 0.000 2.475 1200 S HA 0.149 4.623 4.470 0.007 0.000 0.298 1200 S C 0.866 175.496 174.600 0.050 0.000 1.119 1200 S CA -0.604 57.628 58.200 0.053 0.000 1.085 1200 S CB 1.712 64.996 63.200 0.141 0.000 1.028 1200 S HN 0.377 nan 8.310 nan 0.000 0.489 1201 D N 2.704 123.116 120.400 0.019 0.000 2.350 1201 D HA -0.027 4.617 4.640 0.007 0.000 0.216 1201 D C 0.965 177.202 176.300 -0.104 0.000 0.968 1201 D CA 0.946 54.936 54.000 -0.016 0.000 0.894 1201 D CB 0.336 41.139 40.800 0.006 0.000 0.909 1201 D HN 0.772 nan 8.370 nan 0.000 0.520 1202 E N -1.340 118.782 120.200 -0.130 0.000 2.479 1202 E HA 0.075 4.430 4.350 0.007 0.000 0.193 1202 E C -0.339 175.763 176.600 -0.830 0.000 1.049 1202 E CA -0.011 56.150 56.400 -0.398 0.000 0.870 1202 E CB 0.521 30.034 29.700 -0.312 0.000 0.944 1202 E HN 0.139 nan 8.360 nan 0.000 0.492 1203 F N -0.275 119.495 119.950 -0.300 0.000 2.556 1203 F HA 0.331 4.862 4.527 0.007 0.000 0.314 1203 F C -0.452 175.261 175.800 -0.145 0.000 1.106 1203 F CA -1.281 56.565 58.000 -0.256 0.000 0.911 1203 F CB 1.035 39.922 39.000 -0.189 0.000 1.190 1203 F HN -0.171 nan 8.300 nan 0.000 0.448 1204 Y N 1.708 122.148 120.300 0.233 0.000 2.319 1204 Y HA 0.189 4.744 4.550 0.007 0.000 0.328 1204 Y C 0.970 177.212 175.900 0.570 0.000 1.133 1204 Y CA -0.525 57.757 58.100 0.304 0.000 1.265 1204 Y CB 0.739 39.338 38.460 0.232 0.000 1.218 1204 Y HN 0.591 nan 8.280 nan 0.000 0.508 1205 N N -2.012 117.137 118.700 0.749 0.000 2.145 1205 N HA 0.082 4.827 4.740 0.007 0.000 0.219 1205 N C -0.561 175.318 175.510 0.614 0.000 1.266 1205 N CA -0.118 53.357 53.050 0.709 0.000 0.902 1205 N CB 0.352 39.203 38.487 0.606 0.000 1.078 1205 N HN 0.312 nan 8.380 nan 0.000 0.513 1206 T N 1.551 116.421 114.554 0.527 0.000 2.767 1206 T HA 0.510 4.864 4.350 0.007 0.000 0.284 1206 T C -0.176 174.542 174.700 0.029 0.000 0.973 1206 T CA -0.358 61.907 62.100 0.276 0.000 0.996 1206 T CB 1.148 70.135 68.868 0.199 0.000 0.927 1206 T HN 0.076 nan 8.240 nan 0.000 0.456 1207 I N 2.596 123.096 120.570 -0.118 0.000 2.603 1207 I HA 0.411 4.585 4.170 0.007 0.000 0.300 1207 I C 0.062 176.109 176.117 -0.117 0.000 1.017 1207 I CA -0.917 60.187 61.300 -0.327 0.000 1.098 1207 I CB 2.161 39.902 38.000 -0.431 0.000 1.279 1207 I HN 0.448 nan 8.210 nan 0.000 0.437 1208 Q N 5.752 125.460 119.800 -0.154 0.000 2.333 1208 Q HA 0.487 4.831 4.340 0.007 0.000 0.265 1208 Q C -1.116 174.753 176.000 -0.218 0.000 0.989 1208 Q CA -0.672 54.972 55.803 -0.265 0.000 0.842 1208 Q CB 2.057 30.605 28.738 -0.318 0.000 1.262 1208 Q HN 0.653 nan 8.270 nan 0.000 0.451 1209 I N 4.358 124.795 120.570 -0.222 0.000 2.441 1209 I HA 0.222 4.397 4.170 0.007 0.000 0.287 1209 I C -0.828 175.164 176.117 -0.208 0.000 1.049 1209 I CA -0.040 61.162 61.300 -0.164 0.000 1.381 1209 I CB 0.186 38.096 38.000 -0.150 0.000 1.409 1209 I HN 0.563 nan 8.210 nan 0.000 0.523 1210 K N 5.595 125.873 120.400 -0.202 0.000 2.395 1210 K HA 0.490 4.814 4.320 0.007 0.000 0.245 1210 K C -1.232 175.174 176.600 -0.324 0.000 1.017 1210 K CA -0.869 55.204 56.287 -0.356 0.000 0.852 1210 K CB 1.742 33.867 32.500 -0.625 0.000 1.311 1210 K HN 0.354 nan 8.250 nan 0.000 0.452 1211 E N 0.864 120.809 120.200 -0.425 0.000 2.580 1211 E HA 0.224 4.578 4.350 0.007 0.000 0.248 1211 E C -0.828 175.549 176.600 -0.373 0.000 1.018 1211 E CA -0.139 56.073 56.400 -0.312 0.000 0.775 1211 E CB 0.140 29.704 29.700 -0.227 0.000 1.378 1211 E HN 0.482 nan 8.360 nan 0.000 0.401 1212 Y N 0.766 120.920 120.300 -0.243 0.000 2.475 1212 Y HA 0.134 4.689 4.550 0.008 0.000 0.289 1212 Y C 0.896 176.493 175.900 -0.504 0.000 1.121 1212 Y CA 0.313 58.256 58.100 -0.262 0.000 1.257 1212 Y CB 0.361 38.771 38.460 -0.083 0.000 1.026 1212 Y HN 0.395 nan 8.280 nan 0.000 0.555 1213 D N 0.948 120.920 120.400 -0.714 0.000 2.351 1213 D HA -0.003 4.641 4.640 0.007 0.000 0.251 1213 D C 0.520 176.671 176.300 -0.249 0.000 1.137 1213 D CA 0.285 53.862 54.000 -0.704 0.000 0.879 1213 D CB 0.962 41.353 40.800 -0.683 0.000 1.181 1213 D HN 0.388 nan 8.370 nan 0.000 0.448 1214 E N 1.637 121.771 120.200 -0.110 0.000 2.400 1214 E HA -0.020 4.334 4.350 0.007 0.000 0.195 1214 E C 0.234 176.814 176.600 -0.032 0.000 1.012 1214 E CA 0.055 56.426 56.400 -0.048 0.000 0.875 1214 E CB 0.431 30.126 29.700 -0.008 0.000 0.859 1214 E HN 0.459 nan 8.360 nan 0.000 0.498 1215 Q N 0.925 120.711 119.800 -0.024 0.000 2.205 1215 Q HA 0.304 4.648 4.340 0.007 0.000 0.249 1215 Q C -2.384 173.594 176.000 -0.037 0.000 0.948 1215 Q CA -2.529 53.271 55.803 -0.004 0.000 0.895 1215 Q CB 0.136 28.904 28.738 0.049 0.000 1.249 1215 Q HN -0.086 nan 8.270 nan 0.000 0.458 1216 P HA 0.033 nan 4.420 nan 0.000 0.262 1216 P C -0.522 176.737 177.300 -0.067 0.000 1.182 1216 P CA 0.608 63.642 63.100 -0.110 0.000 0.761 1216 P CB 0.532 32.060 31.700 -0.286 0.000 0.795 1217 T N 2.233 116.737 114.554 -0.083 0.000 2.830 1217 T HA 0.351 4.705 4.350 0.007 0.000 0.322 1217 T C -0.703 174.015 174.700 0.029 0.000 1.501 1217 T CA -0.317 61.722 62.100 -0.101 0.000 1.036 1217 T CB 0.398 69.250 68.868 -0.026 0.000 1.379 1217 T HN 0.048 nan 8.240 nan 0.000 0.493 1218 Y N 0.962 121.264 120.300 0.005 0.000 2.458 1218 Y HA 0.466 5.020 4.550 0.007 0.000 0.256 1218 Y C 1.557 177.473 175.900 0.026 0.000 1.159 1218 Y CA -0.708 57.389 58.100 -0.005 0.000 1.261 1218 Y CB 0.010 38.440 38.460 -0.051 0.000 1.119 1218 Y HN 0.367 nan 8.280 nan 0.000 0.524 1219 S N 0.584 116.386 115.700 0.170 0.000 2.601 1219 S HA 0.469 4.944 4.470 0.007 0.000 0.271 1219 S C 0.184 174.858 174.600 0.124 0.000 1.305 1219 S CA -0.474 57.821 58.200 0.159 0.000 1.022 1219 S CB 0.855 64.141 63.200 0.143 0.000 0.940 1219 S HN 0.435 nan 8.310 nan 0.000 0.525 1220 C N 1.899 121.293 119.300 0.158 0.000 3.236 1220 C HA 0.873 5.337 4.460 0.007 0.000 0.312 1220 C C -1.405 173.702 174.990 0.195 0.000 1.374 1220 C CA -0.981 58.112 59.018 0.124 0.000 1.455 1220 C CB 0.705 28.520 27.740 0.126 0.000 1.834 1220 C HN 0.710 nan 8.230 nan 0.000 0.460 1221 Q N 0.388 120.281 119.800 0.155 0.000 2.399 1221 Q HA 0.848 5.193 4.340 0.007 0.000 0.276 1221 Q C -1.280 174.814 176.000 0.156 0.000 1.098 1221 Q CA -0.413 55.535 55.803 0.242 0.000 0.827 1221 Q CB 1.799 30.758 28.738 0.367 0.000 1.386 1221 Q HN 0.745 nan 8.270 nan 0.000 0.443 1222 L N 1.803 123.130 121.223 0.172 0.000 2.343 1222 L HA 0.562 4.906 4.340 0.007 0.000 0.278 1222 L C -1.296 175.612 176.870 0.063 0.000 0.996 1222 L CA -0.887 53.980 54.840 0.045 0.000 0.831 1222 L CB 1.232 43.273 42.059 -0.030 0.000 1.232 1222 L HN 0.381 nan 8.230 nan 0.000 0.413 1223 L N 2.975 124.203 121.223 0.008 0.000 2.317 1223 L HA 0.606 4.950 4.340 0.007 0.000 0.281 1223 L C -1.253 175.600 176.870 -0.029 0.000 1.024 1223 L CA 0.169 55.055 54.840 0.077 0.000 0.810 1223 L CB 1.331 43.465 42.059 0.125 0.000 1.240 1223 L HN 0.244 nan 8.230 nan 0.000 0.427 1224 F N 4.551 124.557 119.950 0.093 0.000 2.411 1224 F HA 0.517 5.048 4.527 0.008 0.000 0.352 1224 F C 0.242 176.022 175.800 -0.034 0.000 1.123 1224 F CA -0.338 57.688 58.000 0.045 0.000 1.044 1224 F CB 1.228 40.258 39.000 0.049 0.000 1.135 1224 F HN 0.353 nan 8.300 nan 0.000 0.461 1225 K N 3.089 123.555 120.400 0.109 0.000 2.259 1225 K HA 0.260 4.585 4.320 0.007 0.000 0.249 1225 K C 0.727 177.226 176.600 -0.170 0.000 0.942 1225 K CA -0.995 55.295 56.287 0.005 0.000 0.816 1225 K CB 2.523 35.078 32.500 0.091 0.000 1.155 1225 K HN 0.511 nan 8.250 nan 0.000 0.428 1226 K N 1.221 121.487 120.400 -0.222 0.000 2.107 1226 K HA -0.212 4.112 4.320 0.007 0.000 0.211 1226 K C 0.095 176.694 176.600 -0.002 0.000 1.049 1226 K CA 2.209 58.370 56.287 -0.210 0.000 0.927 1226 K CB 0.133 32.624 32.500 -0.016 0.000 0.714 1226 K HN 0.813 nan 8.250 nan 0.000 0.452 1227 D N -3.390 117.012 120.400 0.004 0.000 2.728 1227 D HA -0.005 4.639 4.640 0.007 0.000 0.249 1227 D C -0.199 176.066 176.300 -0.059 0.000 1.225 1227 D CA -0.438 53.562 54.000 0.000 0.000 0.748 1227 D CB 0.613 41.427 40.800 0.023 0.000 1.326 1227 D HN -0.143 nan 8.370 nan 0.000 0.426 1228 E N 0.336 120.401 120.200 -0.226 0.000 2.086 1228 E HA -0.237 4.117 4.350 0.007 0.000 0.200 1228 E C 1.532 178.086 176.600 -0.076 0.000 1.012 1228 E CA 2.087 58.264 56.400 -0.372 0.000 0.812 1228 E CB 0.071 29.331 29.700 -0.734 0.000 0.743 1228 E HN 0.426 nan 8.360 nan 0.000 0.453 1229 E N 0.902 121.065 120.200 -0.062 0.000 2.000 1229 E HA -0.123 4.231 4.350 0.007 0.000 0.199 1229 E C 1.304 177.916 176.600 0.020 0.000 1.011 1229 E CA 1.094 57.489 56.400 -0.008 0.000 0.836 1229 E CB -1.120 28.575 29.700 -0.009 0.000 0.778 1229 E HN 0.312 nan 8.360 nan 0.000 0.462 1230 S N 0.722 116.433 115.700 0.019 0.000 2.564 1230 S HA -0.020 4.454 4.470 0.007 0.000 0.263 1230 S C 0.970 175.594 174.600 0.039 0.000 1.378 1230 S CA 0.692 58.909 58.200 0.028 0.000 0.996 1230 S CB 0.349 63.565 63.200 0.026 0.000 0.881 1230 S HN 0.349 nan 8.310 nan 0.000 0.555 1231 T N -3.041 111.535 114.554 0.036 0.000 3.228 1231 T HA 0.236 4.590 4.350 0.007 0.000 0.278 1231 T C -0.393 174.329 174.700 0.038 0.000 1.014 1231 T CA -0.322 61.803 62.100 0.042 0.000 0.904 1231 T CB -0.312 68.578 68.868 0.037 0.000 1.110 1231 T HN 0.613 nan 8.240 nan 0.000 0.541 1232 D N 2.481 122.898 120.400 0.029 0.000 2.393 1232 D HA 0.159 4.803 4.640 0.007 0.000 0.232 1232 D C -0.255 176.054 176.300 0.016 0.000 1.192 1232 D CA -0.257 53.754 54.000 0.019 0.000 0.882 1232 D CB 0.592 41.399 40.800 0.011 0.000 1.038 1232 D HN 0.425 nan 8.370 nan 0.000 0.499 1233 E N 4.228 124.450 120.200 0.037 0.000 2.200 1233 E HA 0.117 4.472 4.350 0.007 0.000 0.283 1233 E C 0.962 177.601 176.600 0.066 0.000 1.015 1233 E CA -0.679 55.759 56.400 0.064 0.000 0.819 1233 E CB 1.681 31.435 29.700 0.091 0.000 1.081 1233 E HN 0.450 nan 8.360 nan 0.000 0.397 1234 I N 1.611 122.228 120.570 0.078 0.000 2.480 1234 I HA 0.112 4.287 4.170 0.007 0.000 0.251 1234 I C 1.171 177.440 176.117 0.253 0.000 1.124 1234 I CA 0.969 62.349 61.300 0.132 0.000 1.444 1234 I CB -1.162 36.887 38.000 0.081 0.000 1.098 1234 I HN 0.686 nan 8.210 nan 0.000 0.428 1235 G N 0.502 109.462 108.800 0.267 0.000 2.356 1235 G HA2 0.296 4.260 3.960 0.007 0.000 0.300 1235 G HA3 0.296 4.260 3.960 0.007 0.000 0.300 1235 G C -1.527 173.583 174.900 0.351 0.000 1.331 1235 G CA -0.883 44.399 45.100 0.304 0.000 0.905 1235 G HN 0.003 nan 8.290 nan 0.000 0.587 1236 L N 0.290 121.750 121.223 0.394 0.000 2.334 1236 L HA 0.594 4.938 4.340 0.007 0.000 0.273 1236 L C 0.538 177.638 176.870 0.384 0.000 1.013 1236 L CA -1.082 53.975 54.840 0.362 0.000 0.816 1236 L CB 1.854 44.083 42.059 0.283 0.000 1.278 1236 L HN 0.440 nan 8.230 nan 0.000 0.431 1237 I N 1.342 122.095 120.570 0.306 0.000 2.556 1237 I HA 0.318 4.492 4.170 0.007 0.000 0.284 1237 I C 0.775 177.173 176.117 0.469 0.000 1.114 1237 I CA 0.440 61.908 61.300 0.280 0.000 1.418 1237 I CB 0.768 38.803 38.000 0.058 0.000 1.394 1237 I HN 0.780 nan 8.210 nan 0.000 0.552 1238 G N 6.599 115.716 108.800 0.528 0.000 2.772 1238 G HA2 0.667 4.631 3.960 0.007 0.000 0.284 1238 G HA3 0.667 4.631 3.960 0.007 0.000 0.284 1238 G C -1.274 174.009 174.900 0.638 0.000 1.217 1238 G CA -0.564 44.863 45.100 0.546 0.000 0.831 1238 G HN 0.412 nan 8.290 nan 0.000 0.523 1239 I N 0.399 121.263 120.570 0.490 0.000 2.533 1239 I HA 0.434 4.609 4.170 0.007 0.000 0.290 1239 I C -1.139 175.213 176.117 0.392 0.000 1.056 1239 I CA -0.669 60.887 61.300 0.426 0.000 1.057 1239 I CB 2.408 40.546 38.000 0.230 0.000 1.240 1239 I HN 0.604 nan 8.210 nan 0.000 0.423 1240 H N 5.355 124.609 119.070 0.307 0.000 2.690 1240 H HA 0.505 5.065 4.556 0.007 0.000 0.368 1240 H C -0.955 174.471 175.328 0.164 0.000 1.150 1240 H CA -0.713 55.410 56.048 0.124 0.000 1.174 1240 H CB 1.929 31.689 29.762 -0.003 0.000 1.684 1240 H HN 0.456 nan 8.280 nan 0.000 0.538 1241 R N 4.076 124.184 120.500 -0.653 0.000 2.254 1241 R HA 0.334 4.679 4.340 0.007 0.000 0.318 1241 R C -1.344 174.758 176.300 -0.331 0.000 1.031 1241 R CA -0.344 55.598 56.100 -0.263 0.000 0.905 1241 R CB 0.285 30.427 30.300 -0.264 0.000 1.050 1241 R HN 0.389 nan 8.270 nan 0.000 0.456 1242 F N 2.832 122.897 119.950 0.191 0.000 2.561 1242 F HA 0.312 4.843 4.527 0.007 0.000 0.321 1242 F C -0.527 175.470 175.800 0.329 0.000 1.065 1242 F CA -0.900 57.251 58.000 0.251 0.000 0.934 1242 F CB 1.122 40.242 39.000 0.199 0.000 1.215 1242 F HN 0.393 nan 8.300 nan 0.000 0.471 1243 Y N 1.630 122.106 120.300 0.293 0.000 2.330 1243 Y HA 0.494 5.048 4.550 0.007 0.000 0.336 1243 Y C -0.790 175.116 175.900 0.009 0.000 1.036 1243 Y CA -0.900 57.187 58.100 -0.022 0.000 1.125 1243 Y CB 0.961 39.353 38.460 -0.113 0.000 1.194 1243 Y HN 0.606 nan 8.280 nan 0.000 0.469 1244 E N 3.538 123.349 120.200 -0.649 0.000 2.185 1244 E HA 0.306 4.660 4.350 0.007 0.000 0.261 1244 E C -1.331 174.860 176.600 -0.682 0.000 0.879 1244 E CA -0.677 55.443 56.400 -0.468 0.000 0.756 1244 E CB 1.699 31.302 29.700 -0.161 0.000 1.152 1244 E HN 0.453 nan 8.360 nan 0.000 0.416 1245 S N 2.485 117.888 115.700 -0.495 0.000 2.622 1245 S HA 0.562 5.037 4.470 0.007 0.000 0.283 1245 S C -0.237 174.292 174.600 -0.119 0.000 1.197 1245 S CA -0.533 57.473 58.200 -0.323 0.000 1.146 1245 S CB 0.466 63.531 63.200 -0.225 0.000 1.007 1245 S HN 0.612 nan 8.310 nan 0.000 0.478 1246 G N 2.435 111.200 108.800 -0.060 0.000 2.601 1246 G HA2 0.465 4.429 3.960 0.007 0.000 0.317 1246 G HA3 0.465 4.429 3.960 0.007 0.000 0.317 1246 G C 1.134 176.027 174.900 -0.012 0.000 1.246 1246 G CA -0.828 44.269 45.100 -0.006 0.000 1.012 1246 G HN 0.808 nan 8.290 nan 0.000 0.494 1247 I N -2.162 118.404 120.570 -0.007 0.000 2.423 1247 I HA -0.089 4.086 4.170 0.007 0.000 0.254 1247 I C 1.363 177.434 176.117 -0.076 0.000 1.151 1247 I CA 1.140 62.423 61.300 -0.029 0.000 1.421 1247 I CB -0.435 37.554 38.000 -0.018 0.000 1.079 1247 I HN 0.158 nan 8.210 nan 0.000 0.431 1248 V N -0.434 119.416 119.914 -0.106 0.000 2.911 1248 V HA 0.245 4.369 4.120 0.007 0.000 0.237 1248 V C 0.509 176.320 176.094 -0.471 0.000 1.156 1248 V CA 0.355 62.460 62.300 -0.325 0.000 1.180 1248 V CB -0.065 31.485 31.823 -0.456 0.000 0.932 1248 V HN 0.158 nan 8.190 nan 0.000 0.483 1249 F N 0.485 120.413 119.950 -0.036 0.000 2.458 1249 F HA 0.627 5.159 4.527 0.007 0.000 0.330 1249 F C 0.189 175.937 175.800 -0.087 0.000 1.082 1249 F CA -0.598 57.375 58.000 -0.046 0.000 0.995 1249 F CB 1.252 40.228 39.000 -0.040 0.000 1.170 1249 F HN -0.096 nan 8.300 nan 0.000 0.478 1250 E N 3.363 123.620 120.200 0.096 0.000 2.244 1250 E HA 0.356 4.710 4.350 0.007 0.000 0.260 1250 E C -1.383 175.192 176.600 -0.042 0.000 0.884 1250 E CA -0.334 56.033 56.400 -0.054 0.000 0.777 1250 E CB 1.592 31.288 29.700 -0.007 0.000 1.197 1250 E HN 0.910 nan 8.360 nan 0.000 0.416 1251 E N 2.941 123.022 120.200 -0.199 0.000 2.427 1251 E HA 0.181 4.535 4.350 0.007 0.000 0.279 1251 E C -1.547 174.941 176.600 -0.188 0.000 1.120 1251 E CA -0.766 55.580 56.400 -0.091 0.000 0.869 1251 E CB 0.548 30.272 29.700 0.039 0.000 1.393 1251 E HN 0.258 nan 8.360 nan 0.000 0.443 1252 Y N 0.501 120.884 120.300 0.139 0.000 2.361 1252 Y HA 0.553 5.107 4.550 0.007 0.000 0.332 1252 Y C 0.172 176.145 175.900 0.121 0.000 1.101 1252 Y CA -0.369 57.834 58.100 0.172 0.000 1.137 1252 Y CB 1.912 40.468 38.460 0.159 0.000 1.207 1252 Y HN 0.237 nan 8.280 nan 0.000 0.463 1253 K N 1.928 122.530 120.400 0.338 0.000 2.498 1253 K HA 0.335 4.659 4.320 0.007 0.000 0.254 1253 K C -1.837 174.963 176.600 0.333 0.000 0.933 1253 K CA -1.024 55.397 56.287 0.225 0.000 0.806 1253 K CB 2.166 34.768 32.500 0.169 0.000 1.301 1253 K HN 0.555 nan 8.250 nan 0.000 0.432 1254 D N 0.921 121.393 120.400 0.120 0.000 2.193 1254 D HA 0.386 5.031 4.640 0.007 0.000 0.249 1254 D C -1.042 175.297 176.300 0.065 0.000 1.034 1254 D CA 0.177 54.307 54.000 0.216 0.000 0.902 1254 D CB 0.733 41.589 40.800 0.094 0.000 1.182 1254 D HN 0.211 nan 8.370 nan 0.000 0.436 1255 Y N 0.167 120.672 120.300 0.342 0.000 2.545 1255 Y HA 0.335 4.889 4.550 0.007 0.000 0.348 1255 Y C -0.386 175.773 175.900 0.432 0.000 1.002 1255 Y CA -1.270 57.012 58.100 0.303 0.000 1.039 1255 Y CB 1.090 39.650 38.460 0.167 0.000 1.271 1255 Y HN 0.218 nan 8.280 nan 0.000 0.467 1256 F N 3.223 123.384 119.950 0.352 0.000 2.519 1256 F HA 0.364 4.895 4.527 0.007 0.000 0.375 1256 F C -0.309 175.695 175.800 0.339 0.000 1.084 1256 F CA -0.557 57.633 58.000 0.316 0.000 1.147 1256 F CB -0.659 38.463 39.000 0.203 0.000 1.088 1256 F HN 0.455 nan 8.300 nan 0.000 0.555 1257 C N 6.329 125.805 119.300 0.292 0.000 3.161 1257 C HA 0.641 5.105 4.460 0.007 0.000 0.330 1257 C C -0.070 174.985 174.990 0.108 0.000 1.396 1257 C CA -1.260 57.866 59.018 0.180 0.000 1.536 1257 C CB 1.855 29.801 27.740 0.344 0.000 1.978 1257 C HN 0.774 nan 8.230 nan 0.000 0.454 1258 I N 1.450 122.063 120.570 0.071 0.000 2.509 1258 I HA 0.644 4.818 4.170 0.007 0.000 0.293 1258 I C -0.603 175.612 176.117 0.163 0.000 1.020 1258 I CA 0.467 61.843 61.300 0.126 0.000 1.088 1258 I CB 1.502 39.483 38.000 -0.033 0.000 1.267 1258 I HN 0.696 nan 8.210 nan 0.000 0.430 1259 S N 5.360 121.255 115.700 0.325 0.000 2.548 1259 S HA 0.426 4.900 4.470 0.007 0.000 0.276 1259 S C 0.155 174.931 174.600 0.292 0.000 1.129 1259 S CA -0.742 57.603 58.200 0.243 0.000 0.931 1259 S CB 1.947 65.180 63.200 0.055 0.000 1.068 1259 S HN 0.788 nan 8.310 nan 0.000 0.480 1260 K N 2.148 122.693 120.400 0.243 0.000 2.365 1260 K HA 0.002 4.326 4.320 0.007 0.000 0.197 1260 K C 1.291 177.977 176.600 0.142 0.000 1.042 1260 K CA 0.621 57.026 56.287 0.196 0.000 0.987 1260 K CB -0.053 32.539 32.500 0.154 0.000 0.779 1260 K HN 0.751 nan 8.250 nan 0.000 0.484 1261 W N 1.063 122.308 121.300 -0.091 0.000 2.342 1261 W HA -0.247 4.417 4.660 0.007 0.000 0.297 1261 W C 1.211 177.653 176.519 -0.129 0.000 1.213 1261 W CA 1.560 58.808 57.345 -0.163 0.000 1.251 1261 W CB -0.213 29.074 29.460 -0.289 0.000 1.136 1261 W HN 0.040 nan 8.180 nan 0.000 0.526 1262 Y N 0.196 120.541 120.300 0.075 0.000 2.274 1262 Y HA -0.197 4.357 4.550 0.007 0.000 0.290 1262 Y C 2.400 178.145 175.900 -0.258 0.000 1.145 1262 Y CA 1.502 59.520 58.100 -0.137 0.000 1.203 1262 Y CB -1.265 37.238 38.460 0.072 0.000 0.984 1262 Y HN -0.064 nan 8.280 nan 0.000 0.533 1263 L N 0.555 121.769 121.223 -0.015 0.000 2.043 1263 L HA -0.313 4.031 4.340 0.007 0.000 0.212 1263 L C 2.450 179.206 176.870 -0.190 0.000 1.075 1263 L CA 2.287 57.072 54.840 -0.092 0.000 0.752 1263 L CB -0.646 41.407 42.059 -0.011 0.000 0.891 1263 L HN 0.318 nan 8.230 nan 0.000 0.432 1264 K N -1.058 119.198 120.400 -0.239 0.000 2.243 1264 K HA -0.067 4.257 4.320 0.007 0.000 0.201 1264 K C 1.672 178.086 176.600 -0.310 0.000 1.051 1264 K CA 0.631 56.771 56.287 -0.245 0.000 0.970 1264 K CB -0.107 32.251 32.500 -0.236 0.000 0.755 1264 K HN 0.153 nan 8.250 nan 0.000 0.465 1265 E N 1.639 121.565 120.200 -0.458 0.000 2.150 1265 E HA -0.110 4.245 4.350 0.007 0.000 0.193 1265 E C 2.228 178.646 176.600 -0.303 0.000 0.985 1265 E CA 1.551 57.676 56.400 -0.460 0.000 0.814 1265 E CB -0.167 29.101 29.700 -0.720 0.000 0.752 1265 E HN 0.411 nan 8.360 nan 0.000 0.466 1266 V N -1.135 118.614 119.914 -0.275 0.000 3.305 1266 V HA -0.035 4.089 4.120 0.007 0.000 0.269 1266 V C 1.698 177.762 176.094 -0.050 0.000 1.157 1266 V CA 1.058 63.257 62.300 -0.168 0.000 1.157 1266 V CB -0.524 31.013 31.823 -0.477 0.000 0.772 1266 V HN 0.037 nan 8.190 nan 0.000 0.498 1267 K N 0.265 120.596 120.400 -0.115 0.000 2.314 1267 K HA 0.174 4.498 4.320 0.007 0.000 0.198 1267 K C 0.900 177.494 176.600 -0.009 0.000 1.045 1267 K CA -0.070 56.197 56.287 -0.034 0.000 0.988 1267 K CB 0.057 32.521 32.500 -0.060 0.000 0.783 1267 K HN 0.458 nan 8.250 nan 0.000 0.484 1268 R N 1.798 122.264 120.500 -0.056 0.000 2.679 1268 R HA 0.078 4.422 4.340 0.007 0.000 0.268 1268 R C -0.133 176.168 176.300 0.003 0.000 1.044 1268 R CA 0.457 56.528 56.100 -0.048 0.000 1.105 1268 R CB 0.395 30.635 30.300 -0.100 0.000 0.989 1268 R HN -0.149 nan 8.270 nan 0.000 0.447 1269 K N 3.216 123.621 120.400 0.008 0.000 2.324 1269 K HA 0.371 4.695 4.320 0.007 0.000 0.253 1269 K C -2.007 174.602 176.600 0.015 0.000 0.932 1269 K CA -1.744 54.564 56.287 0.034 0.000 0.799 1269 K CB 1.641 34.163 32.500 0.037 0.000 1.154 1269 K HN 0.565 nan 8.250 nan 0.000 0.425 1270 P HA 0.117 nan 4.420 nan 0.000 0.274 1270 P C -0.526 176.814 177.300 0.067 0.000 1.231 1270 P CA -0.426 62.709 63.100 0.057 0.000 0.790 1270 P CB 0.411 32.141 31.700 0.049 0.000 0.951 1271 Y N 2.049 122.353 120.300 0.007 0.000 2.810 1271 Y HA -0.077 4.478 4.550 0.008 0.000 0.332 1271 Y C 0.875 176.778 175.900 0.004 0.000 1.243 1271 Y CA 0.222 58.327 58.100 0.007 0.000 1.537 1271 Y CB -0.063 38.411 38.460 0.024 0.000 1.265 1271 Y HN 0.328 nan 8.280 nan 0.000 0.572 1272 N N 6.682 124.963 118.700 -0.698 0.000 2.415 1272 N HA 0.047 4.791 4.740 0.007 0.000 0.250 1272 N C 0.467 175.694 175.510 -0.471 0.000 1.127 1272 N CA 0.239 53.018 53.050 -0.453 0.000 0.945 1272 N CB 0.125 38.401 38.487 -0.351 0.000 1.196 1272 N HN 0.915 nan 8.380 nan 0.000 0.499 1273 L N 2.204 123.336 121.223 -0.152 0.000 2.275 1273 L HA -0.059 4.285 4.340 0.007 0.000 0.215 1273 L C 1.718 178.561 176.870 -0.045 0.000 1.119 1273 L CA 0.762 55.599 54.840 -0.006 0.000 0.790 1273 L CB -0.119 41.974 42.059 0.057 0.000 0.919 1273 L HN 0.333 nan 8.230 nan 0.000 0.443 1274 K N 0.410 120.767 120.400 -0.071 0.000 2.487 1274 K HA 0.165 4.490 4.320 0.007 0.000 0.192 1274 K C 0.636 177.199 176.600 -0.061 0.000 1.027 1274 K CA 0.105 56.357 56.287 -0.058 0.000 1.054 1274 K CB -0.171 32.309 32.500 -0.034 0.000 0.824 1274 K HN 0.287 nan 8.250 nan 0.000 0.510 1275 L N 0.453 121.627 121.223 -0.081 0.000 2.514 1275 L HA -0.020 4.324 4.340 0.007 0.000 0.280 1275 L C 1.694 178.514 176.870 -0.084 0.000 1.223 1275 L CA 0.011 54.847 54.840 -0.007 0.000 0.864 1275 L CB 0.446 42.469 42.059 -0.060 0.000 1.118 1275 L HN 0.188 nan 8.230 nan 0.000 0.494 1276 G N 1.177 109.999 108.800 0.037 0.000 2.776 1276 G HA2 -0.136 3.829 3.960 0.007 0.000 0.209 1276 G HA3 -0.136 3.829 3.960 0.007 0.000 0.209 1276 G C 1.102 175.708 174.900 -0.490 0.000 1.145 1276 G CA 0.513 45.527 45.100 -0.143 0.000 0.791 1276 G HN 0.890 nan 8.290 nan 0.000 0.530 1277 C N -1.247 117.650 119.300 -0.672 0.000 2.754 1277 C HA 0.378 4.842 4.460 0.007 0.000 0.276 1277 C C 0.532 175.340 174.990 -0.304 0.000 1.264 1277 C CA -1.760 56.867 59.018 -0.651 0.000 1.700 1277 C CB -1.722 25.444 27.740 -0.958 0.000 1.885 1277 C HN 0.223 nan 8.230 nan 0.000 0.607 1278 N N 0.694 119.159 118.700 -0.391 0.000 2.414 1278 N HA 0.450 5.194 4.740 0.007 0.000 0.256 1278 N C -1.160 174.116 175.510 -0.389 0.000 1.029 1278 N CA -0.169 52.771 53.050 -0.184 0.000 0.948 1278 N CB 0.613 39.066 38.487 -0.057 0.000 1.102 1278 N HN 0.561 nan 8.380 nan 0.000 0.496 1279 W N 0.962 122.235 121.300 -0.045 0.000 2.799 1279 W HA 0.483 5.147 4.660 0.007 0.000 0.349 1279 W C -0.157 176.307 176.519 -0.092 0.000 1.100 1279 W CA -0.613 56.651 57.345 -0.137 0.000 1.174 1279 W CB 1.265 30.558 29.460 -0.279 0.000 1.427 1279 W HN 0.145 nan 8.180 nan 0.000 0.547 1280 Q N 1.056 120.951 119.800 0.159 0.000 2.389 1280 Q HA 0.486 4.831 4.340 0.007 0.000 0.277 1280 Q C -1.621 174.283 176.000 -0.160 0.000 1.082 1280 Q CA -1.075 54.808 55.803 0.133 0.000 0.810 1280 Q CB 2.703 31.675 28.738 0.390 0.000 1.374 1280 Q HN 0.295 nan 8.270 nan 0.000 0.422 1281 F N 1.984 121.887 119.950 -0.079 0.000 2.427 1281 F HA 0.479 5.011 4.527 0.007 0.000 0.346 1281 F C 0.012 175.688 175.800 -0.206 0.000 1.120 1281 F CA -0.573 57.266 58.000 -0.267 0.000 1.033 1281 F CB 0.906 39.385 39.000 -0.869 0.000 1.126 1281 F HN 0.268 nan 8.300 nan 0.000 0.462 1282 I N 6.300 126.940 120.570 0.116 0.000 2.328 1282 I HA 0.324 4.499 4.170 0.007 0.000 0.287 1282 I C -2.437 173.979 176.117 0.498 0.000 1.012 1282 I CA -1.950 59.376 61.300 0.044 0.000 1.195 1282 I CB 1.330 39.142 38.000 -0.313 0.000 1.350 1282 I HN 0.282 nan 8.210 nan 0.000 0.464 1283 P HA 0.264 nan 4.420 nan 0.000 0.285 1283 P C -1.000 176.653 177.300 0.590 0.000 1.280 1283 P CA -0.872 62.553 63.100 0.541 0.000 0.862 1283 P CB 1.258 33.224 31.700 0.443 0.000 1.153 1284 K N 1.414 121.970 120.400 0.260 0.000 2.485 1284 K HA 0.112 4.437 4.320 0.007 0.000 0.277 1284 K C -0.204 176.537 176.600 0.235 0.000 0.990 1284 K CA 0.871 57.179 56.287 0.035 0.000 0.994 1284 K CB -0.329 32.068 32.500 -0.172 0.000 0.906 1284 K HN 0.589 nan 8.250 nan 0.000 0.488 1285 D N 0.031 120.609 120.400 0.296 0.000 2.947 1285 D HA 0.035 4.680 4.640 0.007 0.000 0.224 1285 D C 0.783 177.150 176.300 0.111 0.000 1.230 1285 D CA -0.461 53.595 54.000 0.094 0.000 0.871 1285 D CB 1.076 41.694 40.800 -0.303 0.000 1.671 1285 D HN 0.488 nan 8.370 nan 0.000 0.507 1286 E N 1.687 121.938 120.200 0.084 0.000 2.267 1286 E HA -0.105 4.250 4.350 0.007 0.000 0.197 1286 E C 1.477 178.204 176.600 0.212 0.000 0.998 1286 E CA 0.907 57.396 56.400 0.147 0.000 0.830 1286 E CB -0.097 29.681 29.700 0.131 0.000 0.751 1286 E HN 0.427 nan 8.360 nan 0.000 0.491 1287 G N 0.297 109.202 108.800 0.175 0.000 2.848 1287 G HA2 -0.129 3.836 3.960 0.007 0.000 0.208 1287 G HA3 -0.129 3.836 3.960 0.007 0.000 0.208 1287 G C -0.482 174.383 174.900 -0.057 0.000 1.152 1287 G CA -0.291 44.865 45.100 0.095 0.000 0.789 1287 G HN 0.308 nan 8.290 nan 0.000 0.531 1288 W N 2.210 123.400 121.300 -0.184 0.000 2.728 1288 W HA 0.458 5.122 4.660 0.007 0.000 0.324 1288 W C -0.916 175.591 176.519 -0.021 0.000 1.012 1288 W CA -0.693 56.544 57.345 -0.180 0.000 1.279 1288 W CB 1.393 30.744 29.460 -0.181 0.000 1.289 1288 W HN 0.033 nan 8.180 nan 0.000 0.418 1289 T N 1.952 116.226 114.554 -0.467 0.000 2.885 1289 T HA 0.767 5.121 4.350 0.007 0.000 0.285 1289 T C -0.465 173.987 174.700 -0.414 0.000 1.019 1289 T CA -0.490 61.494 62.100 -0.194 0.000 1.010 1289 T CB 2.958 71.766 68.868 -0.101 0.000 1.022 1289 T HN 0.552 nan 8.240 nan 0.000 0.466 1290 E N 0.000 120.159 120.200 -0.069 0.000 2.725 1290 E HA 0.000 4.354 4.350 0.007 0.000 0.291 1290 E CA 0.000 56.423 56.400 0.039 0.000 0.976 1290 E CB 0.000 29.781 29.700 0.136 0.000 0.812 1290 E HN 0.000 nan 8.360 nan 0.000 0.440