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 1vle_1_M DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 G N -0.823 107.992 108.800 0.024 0.000 2.663 2 G HA2 0.723 4.688 3.960 0.009 0.000 0.299 2 G HA3 0.723 4.688 3.960 0.009 0.000 0.299 2 G C -1.493 173.424 174.900 0.027 0.000 1.372 2 G CA -0.600 44.516 45.100 0.026 0.000 0.781 2 G HN -0.092 nan 8.290 nan 0.000 0.491 3 E N -0.438 119.779 120.200 0.029 0.000 2.283 3 E HA 0.454 4.810 4.350 0.009 0.000 0.267 3 E C -0.007 176.617 176.600 0.040 0.000 1.045 3 E CA -0.562 55.856 56.400 0.030 0.000 0.884 3 E CB 2.214 31.929 29.700 0.024 0.000 1.106 3 E HN 0.193 nan 8.360 nan 0.000 0.408 4 V N 1.842 121.785 119.914 0.050 0.000 2.614 4 V HA 0.137 4.262 4.120 0.009 0.000 0.291 4 V C 0.266 176.394 176.094 0.056 0.000 1.049 4 V CA -0.236 62.109 62.300 0.075 0.000 1.038 4 V CB 1.210 33.100 31.823 0.111 0.000 0.980 4 V HN 0.317 nan 8.190 nan 0.000 0.481 5 V N 5.313 125.251 119.914 0.039 0.000 2.735 5 V HA 0.500 4.625 4.120 0.009 0.000 0.310 5 V C -0.006 176.014 176.094 -0.123 0.000 1.061 5 V CA -0.950 61.334 62.300 -0.026 0.000 0.913 5 V CB 2.090 33.905 31.823 -0.015 0.000 1.005 5 V HN 0.840 nan 8.190 nan 0.000 0.428 6 R N 3.825 124.175 120.500 -0.251 0.000 2.207 6 R HA 0.682 5.027 4.340 0.009 0.000 0.334 6 R C -1.282 174.851 176.300 -0.279 0.000 1.013 6 R CA -0.279 55.519 56.100 -0.503 0.000 0.858 6 R CB 0.531 30.405 30.300 -0.710 0.000 1.094 6 R HN 0.676 nan 8.270 nan 0.000 0.457 7 L N 1.975 123.087 121.223 -0.185 0.000 2.271 7 L HA 0.595 4.941 4.340 0.009 0.000 0.265 7 L C 0.219 177.105 176.870 0.026 0.000 1.013 7 L CA -1.054 53.744 54.840 -0.071 0.000 0.820 7 L CB 2.262 44.292 42.059 -0.049 0.000 1.352 7 L HN 0.669 nan 8.230 nan 0.000 0.443 8 T N -2.006 112.557 114.554 0.015 0.000 2.912 8 T HA 0.601 4.956 4.350 0.009 0.000 0.288 8 T C -0.615 174.048 174.700 -0.061 0.000 1.030 8 T CA -0.680 61.432 62.100 0.021 0.000 1.020 8 T CB 2.388 71.273 68.868 0.028 0.000 1.056 8 T HN 0.578 nan 8.240 nan 0.000 0.480 9 N N -0.420 118.212 118.700 -0.112 0.000 3.339 9 N HA 0.521 5.266 4.740 0.009 0.000 0.275 9 N C -1.599 173.783 175.510 -0.213 0.000 1.514 9 N CA -0.423 52.487 53.050 -0.234 0.000 0.879 9 N CB 1.837 39.997 38.487 -0.545 0.000 1.557 9 N HN 0.782 nan 8.380 nan 0.000 0.524 10 S N -1.072 114.482 115.700 -0.243 0.000 2.819 10 S HA 0.866 5.341 4.470 0.009 0.000 0.299 10 S C -1.596 172.924 174.600 -0.134 0.000 1.192 10 S CA 0.200 58.320 58.200 -0.132 0.000 0.847 10 S CB 0.691 63.946 63.200 0.093 0.000 1.224 10 S HN 1.016 nan 8.310 nan 0.000 0.537 11 S N -0.637 114.935 115.700 -0.213 0.000 2.656 11 S HA 0.304 4.780 4.470 0.009 0.000 0.265 11 S C 0.477 174.803 174.600 -0.457 0.000 1.132 11 S CA 0.229 58.332 58.200 -0.160 0.000 0.819 11 S CB 0.195 63.294 63.200 -0.168 0.000 1.119 11 S HN 1.222 nan 8.310 nan 0.000 0.476 12 T N -1.868 112.616 114.554 -0.117 0.000 3.155 12 T HA 0.228 4.584 4.350 0.009 0.000 0.264 12 T C 1.297 176.085 174.700 0.146 0.000 1.160 12 T CA 1.067 63.153 62.100 -0.023 0.000 1.075 12 T CB -0.729 68.345 68.868 0.345 0.000 0.921 12 T HN 1.276 nan 8.240 nan 0.000 0.533 13 G N -0.157 108.684 108.800 0.068 0.000 3.519 13 G HA2 0.572 4.537 3.960 0.009 0.000 0.269 13 G HA3 0.572 4.537 3.960 0.009 0.000 0.269 13 G C 0.531 175.342 174.900 -0.148 0.000 1.028 13 G CA -0.125 44.977 45.100 0.004 0.000 0.809 13 G HN 0.969 nan 8.290 nan 0.000 0.521 14 G N -0.236 108.416 108.800 -0.246 0.000 2.515 14 G HA2 0.103 4.068 3.960 0.009 0.000 0.686 14 G HA3 0.103 4.068 3.960 0.009 0.000 0.686 14 G C -3.348 171.203 174.900 -0.581 0.000 1.274 14 G CA -0.977 43.815 45.100 -0.513 0.000 0.874 14 G HN 0.128 nan 8.290 nan 0.000 0.631 15 P HA 0.504 nan 4.420 nan 0.000 0.272 15 P C 0.138 177.188 177.300 -0.416 0.000 1.223 15 P CA -0.102 62.681 63.100 -0.527 0.000 0.784 15 P CB 1.342 32.690 31.700 -0.586 0.000 0.923 16 V N -1.189 118.548 119.914 -0.296 0.000 3.114 16 V HA 0.567 4.692 4.120 0.009 0.000 0.308 16 V C -1.119 174.878 176.094 -0.162 0.000 1.168 16 V CA -1.076 61.109 62.300 -0.192 0.000 1.015 16 V CB 1.869 33.705 31.823 0.021 0.000 1.050 16 V HN 0.280 nan 8.190 nan 0.000 0.433 17 F N 1.230 121.159 119.950 -0.036 0.000 2.410 17 F HA 0.718 5.250 4.527 0.009 0.000 0.349 17 F C 0.019 175.830 175.800 0.018 0.000 1.117 17 F CA -0.870 57.083 58.000 -0.080 0.000 1.104 17 F CB 2.097 41.049 39.000 -0.081 0.000 1.122 17 F HN 0.369 nan 8.300 nan 0.000 0.483 18 V N 4.797 124.813 119.914 0.169 0.000 2.409 18 V HA 0.220 4.345 4.120 0.009 0.000 0.291 18 V C -0.891 175.226 176.094 0.039 0.000 1.020 18 V CA -0.985 61.435 62.300 0.199 0.000 0.848 18 V CB 1.014 32.987 31.823 0.251 0.000 0.990 18 V HN 0.442 nan 8.190 nan 0.000 0.430 19 Y N 3.759 124.121 120.300 0.104 0.000 2.383 19 Y HA 0.579 5.134 4.550 0.009 0.000 0.344 19 Y C 0.229 176.173 175.900 0.073 0.000 0.986 19 Y CA -0.521 57.616 58.100 0.063 0.000 1.175 19 Y CB 1.446 39.931 38.460 0.042 0.000 1.152 19 Y HN 0.380 nan 8.280 nan 0.000 0.511 20 V N 4.236 124.239 119.914 0.148 0.000 2.680 20 V HA 0.568 4.693 4.120 0.009 0.000 0.309 20 V C -0.563 175.592 176.094 0.102 0.000 1.052 20 V CA -1.401 60.975 62.300 0.127 0.000 0.908 20 V CB 2.114 33.994 31.823 0.096 0.000 1.001 20 V HN 0.648 nan 8.190 nan 0.000 0.431 21 K N 2.104 122.560 120.400 0.094 0.000 2.535 21 K HA 0.344 4.670 4.320 0.009 0.000 0.251 21 K C -1.022 175.613 176.600 0.060 0.000 0.942 21 K CA -0.520 55.809 56.287 0.070 0.000 0.798 21 K CB 1.570 34.109 32.500 0.065 0.000 1.267 21 K HN 0.751 nan 8.250 nan 0.000 0.434 22 D N 3.186 123.616 120.400 0.050 0.000 2.686 22 D HA -0.190 4.455 4.640 0.009 0.000 0.235 22 D C 0.577 176.907 176.300 0.050 0.000 1.160 22 D CA 1.843 55.869 54.000 0.043 0.000 0.645 22 D CB -1.132 39.686 40.800 0.030 0.000 1.039 22 D HN 1.109 nan 8.370 nan 0.000 0.423 23 G N 0.114 108.953 108.800 0.064 0.000 2.187 23 G HA2 -0.370 3.595 3.960 0.009 0.000 0.261 23 G HA3 -0.370 3.595 3.960 0.009 0.000 0.261 23 G C 0.251 175.213 174.900 0.102 0.000 1.000 23 G CA 1.042 46.188 45.100 0.077 0.000 0.718 23 G HN 0.669 nan 8.290 nan 0.000 0.519 24 K N -0.015 120.448 120.400 0.105 0.000 2.378 24 K HA 0.647 4.972 4.320 0.009 0.000 0.252 24 K C 0.216 176.928 176.600 0.186 0.000 0.931 24 K CA -1.287 55.086 56.287 0.143 0.000 0.794 24 K CB 1.047 33.573 32.500 0.045 0.000 1.181 24 K HN 0.095 nan 8.250 nan 0.000 0.425 25 I N 6.277 127.027 120.570 0.299 0.000 2.517 25 I HA 0.007 4.182 4.170 0.009 0.000 0.285 25 I C 1.215 177.470 176.117 0.230 0.000 1.106 25 I CA 0.006 61.458 61.300 0.253 0.000 1.402 25 I CB 0.669 38.800 38.000 0.219 0.000 1.399 25 I HN 0.686 nan 8.210 nan 0.000 0.535 26 I N 5.807 126.491 120.570 0.189 0.000 2.628 26 I HA 0.035 4.210 4.170 0.009 0.000 0.255 26 I C 0.954 177.148 176.117 0.129 0.000 1.119 26 I CA 0.560 61.945 61.300 0.141 0.000 1.448 26 I CB 0.024 38.093 38.000 0.115 0.000 1.133 26 I HN 0.667 nan 8.210 nan 0.000 0.438 27 R N 0.304 120.905 120.500 0.168 0.000 2.728 27 R HA 0.646 4.991 4.340 0.009 0.000 0.274 27 R C -1.676 174.762 176.300 0.231 0.000 1.030 27 R CA -0.832 55.352 56.100 0.140 0.000 0.876 27 R CB 1.469 31.779 30.300 0.017 0.000 1.259 27 R HN -0.135 nan 8.270 nan 0.000 0.468 28 M N 1.371 121.086 119.600 0.191 0.000 2.393 28 M HA 0.446 4.932 4.480 0.009 0.000 0.299 28 M C -1.024 175.385 176.300 0.181 0.000 1.103 28 M CA -0.738 54.697 55.300 0.224 0.000 0.910 28 M CB 2.768 35.473 32.600 0.174 0.000 1.659 28 M HN 0.974 nan 8.290 nan 0.000 0.445 29 T N 0.119 114.802 114.554 0.215 0.000 2.841 29 T HA 0.761 5.116 4.350 0.009 0.000 0.296 29 T C -3.071 171.674 174.700 0.074 0.000 1.166 29 T CA -1.970 60.219 62.100 0.149 0.000 1.007 29 T CB 2.108 71.099 68.868 0.206 0.000 1.253 29 T HN 0.230 nan 8.240 nan 0.000 0.511 30 P HA 0.348 nan 4.420 nan 0.000 0.273 30 P C -0.637 176.589 177.300 -0.124 0.000 1.250 30 P CA -0.524 62.523 63.100 -0.087 0.000 0.793 30 P CB 0.319 31.982 31.700 -0.062 0.000 1.011 31 M N 1.062 120.475 119.600 -0.312 0.000 2.180 31 M HA 0.223 4.709 4.480 0.009 0.000 0.350 31 M C -0.212 175.962 176.300 -0.211 0.000 1.125 31 M CA -0.205 54.810 55.300 -0.474 0.000 1.031 31 M CB 0.822 32.877 32.600 -0.909 0.000 1.623 31 M HN 0.155 nan 8.290 nan 0.000 0.451 32 D N 3.731 124.205 120.400 0.123 0.000 2.249 32 D HA 0.326 4.971 4.640 0.009 0.000 0.246 32 D C -0.615 175.850 176.300 0.275 0.000 1.114 32 D CA 0.116 54.176 54.000 0.100 0.000 0.854 32 D CB 1.009 41.904 40.800 0.158 0.000 1.132 32 D HN 0.420 nan 8.370 nan 0.000 0.461 33 F N 0.780 120.743 119.950 0.021 0.000 2.406 33 F HA 0.042 4.574 4.527 0.009 0.000 0.327 33 F C 1.327 177.184 175.800 0.095 0.000 1.153 33 F CA -0.593 57.440 58.000 0.056 0.000 1.218 33 F CB 0.969 39.941 39.000 -0.045 0.000 1.215 33 F HN 0.129 nan 8.300 nan 0.000 0.570 34 D N 1.912 122.504 120.400 0.320 0.000 2.460 34 D HA 0.094 4.739 4.640 0.009 0.000 0.232 34 D C 0.278 176.649 176.300 0.118 0.000 1.079 34 D CA -0.412 53.700 54.000 0.186 0.000 0.864 34 D CB 0.593 41.494 40.800 0.167 0.000 1.048 34 D HN 0.364 nan 8.370 nan 0.000 0.523 35 D N 2.606 123.068 120.400 0.103 0.000 2.354 35 D HA -0.134 4.511 4.640 0.009 0.000 0.216 35 D C 1.616 177.939 176.300 0.038 0.000 0.970 35 D CA 0.622 54.661 54.000 0.065 0.000 0.905 35 D CB 0.206 41.043 40.800 0.062 0.000 0.903 35 D HN 0.539 nan 8.370 nan 0.000 0.508 36 A N 0.304 123.148 122.820 0.040 0.000 2.016 36 A HA -0.014 4.311 4.320 0.009 0.000 0.217 36 A C 2.175 179.771 177.584 0.019 0.000 1.162 36 A CA 1.348 53.401 52.037 0.028 0.000 0.662 36 A CB 0.058 19.075 19.000 0.028 0.000 0.812 36 A HN 0.251 nan 8.150 nan 0.000 0.450 37 V N -4.532 115.390 119.914 0.014 0.000 3.548 37 V HA 0.264 4.389 4.120 0.009 0.000 0.279 37 V C -0.685 175.380 176.094 -0.047 0.000 1.446 37 V CA -0.237 62.059 62.300 -0.007 0.000 1.023 37 V CB 0.082 31.896 31.823 -0.016 0.000 0.820 37 V HN 0.171 nan 8.190 nan 0.000 0.438 38 D N 2.930 123.289 120.400 -0.068 0.000 2.280 38 D HA 0.656 5.301 4.640 0.009 0.000 0.236 38 D C 0.575 176.771 176.300 -0.173 0.000 1.082 38 D CA 0.485 54.372 54.000 -0.187 0.000 0.834 38 D CB 1.942 42.587 40.800 -0.258 0.000 1.100 38 D HN 0.526 nan 8.370 nan 0.000 0.486 39 A N 4.118 126.804 122.820 -0.224 0.000 2.613 39 A HA 0.167 4.492 4.320 0.009 0.000 0.230 39 A C -1.995 175.532 177.584 -0.095 0.000 1.051 39 A CA -0.436 51.509 52.037 -0.154 0.000 0.754 39 A CB -0.480 18.386 19.000 -0.223 0.000 0.979 39 A HN 0.329 nan 8.150 nan 0.000 0.510 40 P HA 0.172 nan 4.420 nan 0.000 0.270 40 P C -0.090 177.242 177.300 0.053 0.000 1.223 40 P CA -0.016 63.097 63.100 0.021 0.000 0.785 40 P CB 0.548 32.261 31.700 0.022 0.000 0.923 41 S N 0.789 116.530 115.700 0.068 0.000 2.669 41 S HA 0.339 4.815 4.470 0.009 0.000 0.270 41 S C -0.054 174.523 174.600 -0.038 0.000 1.225 41 S CA -0.694 57.518 58.200 0.020 0.000 0.991 41 S CB 0.195 63.365 63.200 -0.049 0.000 0.987 41 S HN 0.490 nan 8.310 nan 0.000 0.552 42 W N 0.474 121.801 121.300 0.045 0.000 2.086 42 W HA 0.616 5.281 4.660 0.009 0.000 0.355 42 W C -0.765 175.780 176.519 0.044 0.000 1.313 42 W CA -0.633 56.727 57.345 0.025 0.000 1.358 42 W CB -0.071 29.388 29.460 -0.001 0.000 1.166 42 W HN 0.391 nan 8.180 nan 0.000 0.630 43 K N 1.189 121.832 120.400 0.405 0.000 2.498 43 K HA 0.590 4.915 4.320 0.009 0.000 0.254 43 K C -1.135 175.688 176.600 0.372 0.000 0.933 43 K CA -0.886 55.561 56.287 0.267 0.000 0.806 43 K CB 2.763 35.318 32.500 0.092 0.000 1.301 43 K HN 0.360 nan 8.250 nan 0.000 0.432 44 I N 2.163 122.943 120.570 0.351 0.000 2.436 44 I HA 0.216 4.391 4.170 0.009 0.000 0.289 44 I C -0.816 175.422 176.117 0.201 0.000 1.010 44 I CA -0.826 60.630 61.300 0.260 0.000 1.098 44 I CB 2.045 40.208 38.000 0.271 0.000 1.266 44 I HN 0.465 nan 8.210 nan 0.000 0.434 45 E N 5.256 125.529 120.200 0.122 0.000 2.081 45 E HA 0.661 5.016 4.350 0.009 0.000 0.276 45 E C -0.795 175.865 176.600 0.099 0.000 0.950 45 E CA -0.236 56.215 56.400 0.085 0.000 0.776 45 E CB 1.620 31.342 29.700 0.037 0.000 1.094 45 E HN 0.611 nan 8.360 nan 0.000 0.402 46 A N 3.642 126.566 122.820 0.174 0.000 2.408 46 A HA 0.557 4.882 4.320 0.009 0.000 0.295 46 A C -0.438 177.243 177.584 0.161 0.000 1.040 46 A CA -0.833 51.288 52.037 0.139 0.000 0.707 46 A CB 0.733 19.796 19.000 0.105 0.000 1.235 46 A HN 0.724 nan 8.150 nan 0.000 0.418 47 R N 1.581 122.122 120.500 0.068 0.000 3.333 47 R HA -0.251 4.095 4.340 0.009 0.000 0.256 47 R C 1.186 177.510 176.300 0.041 0.000 1.010 47 R CA 1.160 57.297 56.100 0.060 0.000 0.680 47 R CB -2.073 28.279 30.300 0.087 0.000 1.102 47 R HN 2.529 nan 8.270 nan 0.000 0.440 48 G N -0.666 108.144 108.800 0.016 0.000 2.245 48 G HA2 -0.401 3.565 3.960 0.009 0.000 0.264 48 G HA3 -0.401 3.565 3.960 0.009 0.000 0.264 48 G C 0.205 175.061 174.900 -0.074 0.000 0.985 48 G CA 1.071 46.160 45.100 -0.019 0.000 0.625 48 G HN 0.416 nan 8.290 nan 0.000 0.536 49 K N 0.630 120.966 120.400 -0.106 0.000 2.098 49 K HA 0.570 4.895 4.320 0.009 0.000 0.258 49 K C -0.459 175.865 176.600 -0.460 0.000 0.973 49 K CA -0.220 55.859 56.287 -0.347 0.000 0.898 49 K CB 1.256 33.421 32.500 -0.558 0.000 1.057 49 K HN 0.063 nan 8.250 nan 0.000 0.447 50 T N 2.742 116.952 114.554 -0.574 0.000 2.756 50 T HA 0.394 4.749 4.350 0.009 0.000 0.290 50 T C -0.835 173.442 174.700 -0.704 0.000 0.985 50 T CA -0.505 61.338 62.100 -0.428 0.000 0.955 50 T CB 0.014 68.741 68.868 -0.235 0.000 0.930 50 T HN 0.214 nan 8.240 nan 0.000 0.451 51 F N 1.868 121.614 119.950 -0.340 0.000 2.427 51 F HA 0.614 5.146 4.527 0.008 0.000 0.346 51 F C 0.873 176.423 175.800 -0.417 0.000 1.120 51 F CA -0.710 56.883 58.000 -0.679 0.000 1.033 51 F CB 1.976 40.310 39.000 -1.109 0.000 1.126 51 F HN 0.347 nan 8.300 nan 0.000 0.462 52 T N 4.795 119.215 114.554 -0.224 0.000 2.952 52 T HA 0.474 4.830 4.350 0.009 0.000 0.305 52 T C -2.804 171.885 174.700 -0.019 0.000 1.064 52 T CA -1.714 60.220 62.100 -0.278 0.000 1.008 52 T CB 1.573 70.319 68.868 -0.204 0.000 1.078 52 T HN 0.346 nan 8.240 nan 0.000 0.459 53 P HA 0.437 nan 4.420 nan 0.000 0.274 53 P C -2.782 174.554 177.300 0.060 0.000 1.256 53 P CA -1.375 61.727 63.100 0.003 0.000 0.795 53 P CB -0.538 31.054 31.700 -0.180 0.000 1.038 54 P HA 0.199 nan 4.420 nan 0.000 0.271 54 P C 0.303 177.586 177.300 -0.029 0.000 1.218 54 P CA -0.046 63.066 63.100 0.021 0.000 0.780 54 P CB 0.299 31.987 31.700 -0.020 0.000 0.901 55 R N 2.673 123.106 120.500 -0.112 0.000 4.779 55 R HA 0.166 4.511 4.340 0.009 0.000 0.217 55 R C 0.385 176.222 176.300 -0.772 0.000 1.934 55 R CA 0.303 56.253 56.100 -0.249 0.000 1.623 55 R CB -0.518 29.776 30.300 -0.009 0.000 1.364 55 R HN 0.483 nan 8.270 nan 0.000 0.799 56 K N -0.147 119.682 120.400 -0.951 0.000 2.579 56 K HA 0.185 4.510 4.320 0.009 0.000 0.284 56 K C -0.703 175.518 176.600 -0.631 0.000 0.990 56 K CA -0.497 55.256 56.287 -0.890 0.000 0.880 56 K CB 1.739 34.014 32.500 -0.376 0.000 1.488 56 K HN 0.096 nan 8.250 nan 0.000 0.425 57 T N -1.430 112.868 114.554 -0.426 0.000 2.910 57 T HA 0.683 5.038 4.350 0.009 0.000 0.279 57 T C -0.109 174.554 174.700 -0.062 0.000 0.989 57 T CA -0.507 61.525 62.100 -0.114 0.000 0.968 57 T CB 1.293 70.067 68.868 -0.156 0.000 1.135 57 T HN 0.618 nan 8.240 nan 0.000 0.562 58 S N -0.285 115.445 115.700 0.050 0.000 2.627 58 S HA 0.796 5.271 4.470 0.009 0.000 0.283 58 S C -0.637 173.975 174.600 0.021 0.000 1.127 58 S CA -1.085 57.152 58.200 0.061 0.000 0.863 58 S CB 1.098 64.391 63.200 0.156 0.000 1.121 58 S HN 1.239 nan 8.310 nan 0.000 0.479 59 I N -1.610 118.972 120.570 0.019 0.000 2.934 59 I HA 0.935 5.110 4.170 0.009 0.000 0.306 59 I C -0.163 175.875 176.117 -0.132 0.000 1.110 59 I CA -1.624 59.624 61.300 -0.086 0.000 1.019 59 I CB 1.588 39.531 38.000 -0.095 0.000 1.227 59 I HN 0.868 nan 8.210 nan 0.000 0.434 60 A N 3.641 126.225 122.820 -0.394 0.000 2.271 60 A HA 0.669 4.995 4.320 0.009 0.000 0.288 60 A C -1.928 175.384 177.584 -0.453 0.000 1.094 60 A CA -1.552 50.090 52.037 -0.659 0.000 0.828 60 A CB -0.123 18.126 19.000 -1.252 0.000 1.091 60 A HN 0.710 nan 8.150 nan 0.000 0.493 61 P HA -0.203 nan 4.420 nan 0.000 0.215 61 P C 0.891 178.160 177.300 -0.051 0.000 1.157 61 P CA 2.075 65.149 63.100 -0.043 0.000 0.874 61 P CB -0.250 31.556 31.700 0.176 0.000 0.790 62 Y N -2.199 118.145 120.300 0.073 0.000 2.483 62 Y HA -0.015 4.540 4.550 0.009 0.000 0.291 62 Y C 1.831 177.820 175.900 0.149 0.000 1.143 62 Y CA 1.046 59.189 58.100 0.071 0.000 1.289 62 Y CB -2.249 36.230 38.460 0.033 0.000 0.983 62 Y HN -0.154 nan 8.280 nan 0.000 0.556 63 T N 0.145 114.726 114.554 0.044 0.000 3.009 63 T HA 0.150 4.505 4.350 0.009 0.000 0.258 63 T C 2.217 176.995 174.700 0.129 0.000 1.063 63 T CA 0.834 63.016 62.100 0.136 0.000 1.139 63 T CB -0.356 68.492 68.868 -0.033 0.000 0.890 63 T HN 0.521 nan 8.240 nan 0.000 0.471 64 A N 1.166 124.019 122.820 0.056 0.000 1.978 64 A HA 0.141 4.466 4.320 0.009 0.000 0.220 64 A C 2.124 179.789 177.584 0.135 0.000 1.170 64 A CA 1.628 53.711 52.037 0.077 0.000 0.636 64 A CB -0.720 18.310 19.000 0.049 0.000 0.810 64 A HN 0.498 nan 8.150 nan 0.000 0.448 65 G N -2.825 106.075 108.800 0.167 0.000 3.690 65 G HA2 0.289 4.255 3.960 0.009 0.000 0.283 65 G HA3 0.289 4.255 3.960 0.009 0.000 0.283 65 G C 0.709 175.668 174.900 0.098 0.000 1.057 65 G CA 0.140 45.373 45.100 0.221 0.000 0.821 65 G HN 0.322 nan 8.290 nan 0.000 0.526 66 F N 1.426 121.362 119.950 -0.023 0.000 2.202 66 F HA -0.028 4.504 4.527 0.009 0.000 0.301 66 F C 2.433 178.100 175.800 -0.221 0.000 1.082 66 F CA 1.600 59.539 58.000 -0.102 0.000 1.313 66 F CB 0.295 39.244 39.000 -0.085 0.000 1.024 66 F HN 0.206 nan 8.300 nan 0.000 0.495 67 K N 0.135 120.458 120.400 -0.129 0.000 2.160 67 K HA -0.206 4.120 4.320 0.009 0.000 0.206 67 K C 2.119 178.525 176.600 -0.323 0.000 1.047 67 K CA 1.621 57.773 56.287 -0.225 0.000 0.930 67 K CB -0.305 32.198 32.500 0.005 0.000 0.720 67 K HN 0.412 nan 8.250 nan 0.000 0.450 68 S N -0.231 115.184 115.700 -0.475 0.000 2.481 68 S HA -0.071 4.404 4.470 0.009 0.000 0.231 68 S C 1.795 176.119 174.600 -0.459 0.000 0.996 68 S CA 0.673 58.464 58.200 -0.681 0.000 0.942 68 S CB -0.094 62.254 63.200 -1.421 0.000 0.768 68 S HN 0.293 nan 8.310 nan 0.000 0.520 69 M N 0.509 119.786 119.600 -0.539 0.000 2.357 69 M HA 0.259 4.744 4.480 0.009 0.000 0.266 69 M C 1.921 178.144 176.300 -0.129 0.000 1.095 69 M CA 0.833 55.851 55.300 -0.469 0.000 1.156 69 M CB -0.340 31.722 32.600 -0.897 0.000 1.365 69 M HN 0.286 nan 8.290 nan 0.000 0.447 70 I N -0.790 119.537 120.570 -0.404 0.000 2.142 70 I HA -0.263 3.912 4.170 0.009 0.000 0.240 70 I C 1.057 177.022 176.117 -0.253 0.000 1.078 70 I CA 1.415 62.506 61.300 -0.349 0.000 1.343 70 I CB -0.301 37.323 38.000 -0.627 0.000 1.046 70 I HN 0.219 nan 8.210 nan 0.000 0.405 71 Y N 1.024 121.281 120.300 -0.072 0.000 2.596 71 Y HA 0.233 4.788 4.550 0.009 0.000 0.316 71 Y C 1.273 177.149 175.900 -0.040 0.000 1.156 71 Y CA -0.731 57.341 58.100 -0.046 0.000 1.300 71 Y CB -0.769 37.661 38.460 -0.050 0.000 1.130 71 Y HN -0.049 nan 8.280 nan 0.000 0.518 72 S N 1.252 117.015 115.700 0.104 0.000 2.568 72 S HA -0.034 4.441 4.470 0.009 0.000 0.282 72 S C 1.159 175.828 174.600 0.114 0.000 1.338 72 S CA -0.289 57.968 58.200 0.095 0.000 1.045 72 S CB 0.522 63.835 63.200 0.189 0.000 0.873 72 S HN 0.577 nan 8.310 nan 0.000 0.516 73 D N 3.520 123.965 120.400 0.075 0.000 2.340 73 D HA 0.006 4.652 4.640 0.009 0.000 0.220 73 D C 1.054 177.415 176.300 0.101 0.000 1.039 73 D CA 0.310 54.335 54.000 0.041 0.000 0.866 73 D CB -0.206 40.589 40.800 -0.009 0.000 0.913 73 D HN 0.514 nan 8.370 nan 0.000 0.523 74 L N -0.440 120.915 121.223 0.220 0.000 2.769 74 L HA 0.255 4.600 4.340 0.009 0.000 0.240 74 L C 0.732 177.858 176.870 0.427 0.000 1.163 74 L CA -0.656 54.420 54.840 0.394 0.000 0.962 74 L CB 0.124 42.377 42.059 0.325 0.000 1.258 74 L HN -0.159 nan 8.230 nan 0.000 0.513 75 R N 1.566 122.240 120.500 0.291 0.000 2.537 75 R HA 0.169 4.514 4.340 0.009 0.000 0.280 75 R C -0.180 176.141 176.300 0.036 0.000 1.058 75 R CA 0.058 56.209 56.100 0.085 0.000 1.057 75 R CB 0.169 30.477 30.300 0.014 0.000 0.973 75 R HN 0.061 nan 8.270 nan 0.000 0.438 76 I N 8.965 129.487 120.570 -0.080 0.000 2.578 76 I HA 0.045 4.221 4.170 0.009 0.000 0.286 76 I C -1.329 174.667 176.117 -0.202 0.000 1.126 76 I CA -1.441 59.789 61.300 -0.116 0.000 1.380 76 I CB 1.074 38.978 38.000 -0.160 0.000 1.408 76 I HN 0.647 nan 8.210 nan 0.000 0.532 77 P HA -0.091 nan 4.420 nan 0.000 0.216 77 P C -0.848 176.217 177.300 -0.392 0.000 1.153 77 P CA 1.446 64.247 63.100 -0.498 0.000 0.844 77 P CB 0.134 31.270 31.700 -0.941 0.000 0.787 78 Y N -7.372 112.888 120.300 -0.068 0.000 2.818 78 Y HA 0.602 5.157 4.550 0.009 0.000 0.341 78 Y C -3.286 172.437 175.900 -0.296 0.000 1.283 78 Y CA -3.839 54.169 58.100 -0.153 0.000 1.075 78 Y CB -0.832 37.562 38.460 -0.109 0.000 1.370 78 Y HN -0.407 nan 8.280 nan 0.000 0.448 79 P HA 0.275 nan 4.420 nan 0.000 0.266 79 P C -0.880 176.402 177.300 -0.030 0.000 1.195 79 P CA 0.540 63.414 63.100 -0.377 0.000 0.768 79 P CB 0.386 31.698 31.700 -0.647 0.000 0.838 80 M N 2.090 121.669 119.600 -0.035 0.000 2.518 80 M HA 0.447 4.932 4.480 0.009 0.000 0.300 80 M C -0.259 176.137 176.300 0.160 0.000 1.175 80 M CA -0.638 54.724 55.300 0.103 0.000 0.890 80 M CB 3.008 35.639 32.600 0.052 0.000 1.710 80 M HN 0.116 nan 8.290 nan 0.000 0.453 81 K N 1.705 122.254 120.400 0.249 0.000 2.422 81 K HA 0.507 4.832 4.320 0.009 0.000 0.251 81 K C -1.212 175.514 176.600 0.209 0.000 0.933 81 K CA -0.782 55.654 56.287 0.249 0.000 0.798 81 K CB 2.369 34.980 32.500 0.184 0.000 1.238 81 K HN 0.791 nan 8.250 nan 0.000 0.428 82 R N 3.679 124.226 120.500 0.078 0.000 2.370 82 R HA 0.056 4.401 4.340 0.009 0.000 0.309 82 R C 0.501 176.781 176.300 -0.033 0.000 1.059 82 R CA 0.277 56.215 56.100 -0.269 0.000 0.981 82 R CB 0.581 30.722 30.300 -0.265 0.000 0.972 82 R HN 0.695 nan 8.270 nan 0.000 0.437 83 K N 1.465 121.811 120.400 -0.090 0.000 2.044 83 K HA -0.177 4.148 4.320 0.009 0.000 0.210 83 K C 1.596 178.207 176.600 0.018 0.000 1.049 83 K CA 2.232 58.511 56.287 -0.014 0.000 0.927 83 K CB -0.065 32.417 32.500 -0.030 0.000 0.713 83 K HN 0.709 nan 8.250 nan 0.000 0.443 84 S N 0.416 116.122 115.700 0.009 0.000 2.603 84 S HA -0.065 4.410 4.470 0.009 0.000 0.229 84 S C 0.267 174.941 174.600 0.124 0.000 0.972 84 S CA -0.071 58.155 58.200 0.043 0.000 0.935 84 S CB -0.444 62.772 63.200 0.027 0.000 0.769 84 S HN 0.224 nan 8.310 nan 0.000 0.536 85 F N 2.691 122.637 119.950 -0.006 0.000 2.388 85 F HA 0.581 5.113 4.527 0.009 0.000 0.358 85 F C -0.788 175.036 175.800 0.040 0.000 1.122 85 F CA -1.512 56.511 58.000 0.038 0.000 1.056 85 F CB 1.258 40.302 39.000 0.074 0.000 1.155 85 F HN -0.031 nan 8.300 nan 0.000 0.461 86 D N 8.531 128.552 120.400 -0.632 0.000 2.469 86 D HA 0.401 5.047 4.640 0.009 0.000 0.251 86 D C -2.203 173.658 176.300 -0.732 0.000 1.173 86 D CA -2.517 51.150 54.000 -0.555 0.000 0.882 86 D CB 2.251 42.906 40.800 -0.242 0.000 1.129 86 D HN 0.195 nan 8.370 nan 0.000 0.549 87 P HA -0.080 nan 4.420 nan 0.000 0.216 87 P C -0.043 177.110 177.300 -0.245 0.000 1.150 87 P CA 1.203 64.003 63.100 -0.499 0.000 0.843 87 P CB 0.207 31.729 31.700 -0.297 0.000 0.787 88 N N -1.807 116.776 118.700 -0.195 0.000 2.235 88 N HA 0.256 5.001 4.740 0.009 0.000 0.209 88 N C 0.826 176.279 175.510 -0.094 0.000 1.122 88 N CA 0.021 53.005 53.050 -0.109 0.000 0.845 88 N CB 0.654 39.094 38.487 -0.078 0.000 1.004 88 N HN 0.134 nan 8.380 nan 0.000 0.499 89 G N -0.389 108.336 108.800 -0.126 0.000 3.100 89 G HA2 0.158 4.123 3.960 0.009 0.000 0.174 89 G HA3 0.158 4.123 3.960 0.009 0.000 0.174 89 G C -1.151 173.699 174.900 -0.082 0.000 1.136 89 G CA -0.438 44.610 45.100 -0.086 0.000 0.881 89 G HN -0.093 nan 8.290 nan 0.000 0.616 90 E N 1.106 121.269 120.200 -0.063 0.000 2.265 90 E HA 0.219 4.575 4.350 0.009 0.000 0.272 90 E C 0.959 177.533 176.600 -0.044 0.000 1.067 90 E CA -0.095 56.288 56.400 -0.030 0.000 0.900 90 E CB 1.518 31.214 29.700 -0.007 0.000 1.017 90 E HN 0.409 nan 8.360 nan 0.000 0.431 91 R N 2.166 122.674 120.500 0.013 0.000 2.246 91 R HA 0.038 4.383 4.340 0.009 0.000 0.199 91 R C -0.114 176.344 176.300 0.263 0.000 0.984 91 R CA -0.191 55.982 56.100 0.123 0.000 1.015 91 R CB 0.076 30.529 30.300 0.254 0.000 0.930 91 R HN 0.460 nan 8.270 nan 0.000 0.475 92 N N 0.919 119.709 118.700 0.150 0.000 2.650 92 N HA -0.125 4.621 4.740 0.009 0.000 0.272 92 N C -2.225 173.382 175.510 0.162 0.000 1.058 92 N CA 0.350 53.479 53.050 0.132 0.000 0.765 92 N CB -0.525 38.024 38.487 0.104 0.000 0.902 92 N HN 0.188 nan 8.380 nan 0.000 0.551 93 P HA -0.203 nan 4.420 nan 0.000 0.215 93 P C 1.762 179.146 177.300 0.140 0.000 1.153 93 P CA 1.270 64.467 63.100 0.162 0.000 0.853 93 P CB 0.111 31.892 31.700 0.135 0.000 0.788 94 Q N 0.008 119.872 119.800 0.107 0.000 2.439 94 Q HA -0.124 4.221 4.340 0.009 0.000 0.211 94 Q C 1.327 177.388 176.000 0.102 0.000 0.978 94 Q CA 1.415 57.277 55.803 0.098 0.000 0.897 94 Q CB -1.252 27.527 28.738 0.068 0.000 0.956 94 Q HN 0.344 nan 8.270 nan 0.000 0.483 95 L N 0.710 121.991 121.223 0.097 0.000 2.700 95 L HA 0.279 4.624 4.340 0.009 0.000 0.234 95 L C 0.485 177.390 176.870 0.060 0.000 1.156 95 L CA -0.331 54.551 54.840 0.070 0.000 0.946 95 L CB 0.221 42.310 42.059 0.049 0.000 1.216 95 L HN -0.030 nan 8.230 nan 0.000 0.493 96 R N 0.514 121.083 120.500 0.116 0.000 2.401 96 R HA 0.297 4.642 4.340 0.009 0.000 0.299 96 R C 1.109 177.479 176.300 0.117 0.000 1.064 96 R CA 0.661 56.835 56.100 0.123 0.000 1.000 96 R CB 0.541 30.985 30.300 0.241 0.000 0.973 96 R HN 0.274 nan 8.270 nan 0.000 0.438 97 G N 1.799 110.516 108.800 -0.138 0.000 2.143 97 G HA2 -0.374 3.591 3.960 0.009 0.000 0.249 97 G HA3 -0.374 3.591 3.960 0.009 0.000 0.249 97 G C 0.902 175.696 174.900 -0.177 0.000 0.981 97 G CA 0.321 45.157 45.100 -0.439 0.000 0.665 97 G HN 0.728 nan 8.290 nan 0.000 0.528 98 A N 0.188 122.961 122.820 -0.077 0.000 1.877 98 A HA 0.265 4.591 4.320 0.009 0.000 0.216 98 A C 2.858 180.415 177.584 -0.045 0.000 1.186 98 A CA 2.409 54.427 52.037 -0.032 0.000 0.620 98 A CB -1.077 17.913 19.000 -0.017 0.000 0.822 98 A HN 1.659 nan 8.150 nan 0.000 0.443 99 G N -0.268 108.496 108.800 -0.060 0.000 2.476 99 G HA2 -0.206 3.760 3.960 0.009 0.000 0.218 99 G HA3 -0.206 3.760 3.960 0.009 0.000 0.218 99 G C 1.444 176.319 174.900 -0.042 0.000 1.164 99 G CA 1.274 46.361 45.100 -0.021 0.000 0.768 99 G HN 0.377 nan 8.290 nan 0.000 0.560 100 L N 1.243 122.394 121.223 -0.120 0.000 2.042 100 L HA -0.046 4.299 4.340 0.009 0.000 0.210 100 L C 3.004 179.814 176.870 -0.099 0.000 1.076 100 L CA 1.975 56.717 54.840 -0.163 0.000 0.749 100 L CB -0.640 41.227 42.059 -0.320 0.000 0.893 100 L HN 0.192 nan 8.230 nan 0.000 0.432 101 S N -0.620 115.046 115.700 -0.057 0.000 2.474 101 S HA -0.129 4.346 4.470 0.009 0.000 0.235 101 S C 1.331 175.929 174.600 -0.002 0.000 0.997 101 S CA 1.168 59.365 58.200 -0.004 0.000 0.949 101 S CB -0.251 62.967 63.200 0.030 0.000 0.766 101 S HN 0.611 nan 8.310 nan 0.000 0.517 102 K N 0.267 120.662 120.400 -0.008 0.000 2.537 102 K HA 0.351 4.676 4.320 0.009 0.000 0.206 102 K C -0.473 176.131 176.600 0.006 0.000 1.041 102 K CA -0.214 56.076 56.287 0.005 0.000 1.090 102 K CB 0.249 32.756 32.500 0.012 0.000 0.833 102 K HN -0.143 nan 8.250 nan 0.000 0.493 103 Q N 1.157 120.950 119.800 -0.012 0.000 2.481 103 Q HA -0.197 4.149 4.340 0.009 0.000 0.272 103 Q C -0.979 175.043 176.000 0.037 0.000 1.157 103 Q CA 1.543 57.342 55.803 -0.006 0.000 0.935 103 Q CB -1.692 27.045 28.738 -0.003 0.000 1.338 103 Q HN 0.597 nan 8.270 nan 0.000 0.494 104 D N -2.177 118.252 120.400 0.049 0.000 2.621 104 D HA 0.257 4.902 4.640 0.009 0.000 0.274 104 D C -2.116 174.266 176.300 0.136 0.000 1.215 104 D CA -1.865 52.200 54.000 0.109 0.000 0.810 104 D CB 0.915 41.769 40.800 0.089 0.000 1.248 104 D HN -0.125 nan 8.370 nan 0.000 0.517 105 P HA -0.110 nan 4.420 nan 0.000 0.214 105 P C 1.246 178.738 177.300 0.320 0.000 1.163 105 P CA 1.189 64.387 63.100 0.163 0.000 0.889 105 P CB 0.052 31.802 31.700 0.084 0.000 0.790 106 W N 0.392 121.834 121.300 0.237 0.000 2.364 106 W HA -0.133 4.532 4.660 0.009 0.000 0.281 106 W C 2.667 179.243 176.519 0.095 0.000 1.219 106 W CA 1.714 59.074 57.345 0.025 0.000 1.220 106 W CB -1.548 27.826 29.460 -0.144 0.000 1.127 106 W HN 0.024 nan 8.180 nan 0.000 0.556 107 S N -0.645 115.226 115.700 0.284 0.000 2.442 107 S HA -0.193 4.282 4.470 0.009 0.000 0.236 107 S C 1.387 176.044 174.600 0.095 0.000 1.007 107 S CA 1.580 59.877 58.200 0.161 0.000 0.965 107 S CB -0.375 62.889 63.200 0.106 0.000 0.773 107 S HN 0.136 nan 8.310 nan 0.000 0.504 108 D N 0.227 120.675 120.400 0.081 0.000 2.312 108 D HA 0.149 4.795 4.640 0.009 0.000 0.211 108 D C -0.364 175.694 176.300 -0.403 0.000 0.964 108 D CA 0.658 54.548 54.000 -0.183 0.000 0.877 108 D CB 0.014 40.613 40.800 -0.335 0.000 0.924 108 D HN 0.522 nan 8.370 nan 0.000 0.515 109 Y N 0.301 120.635 120.300 0.057 0.000 2.487 109 Y HA 0.360 4.915 4.550 0.009 0.000 0.337 109 Y C 0.506 176.450 175.900 0.073 0.000 1.076 109 Y CA -1.193 56.941 58.100 0.056 0.000 1.115 109 Y CB 1.243 39.718 38.460 0.026 0.000 1.235 109 Y HN -0.222 nan 8.280 nan 0.000 0.468 110 E N 1.162 121.488 120.200 0.209 0.000 2.288 110 E HA 0.510 4.865 4.350 0.009 0.000 0.268 110 E C -1.162 175.513 176.600 0.125 0.000 0.885 110 E CA -1.360 55.118 56.400 0.131 0.000 0.767 110 E CB 2.245 31.983 29.700 0.064 0.000 1.220 110 E HN 0.606 nan 8.360 nan 0.000 0.427 111 R N 2.704 123.223 120.500 0.032 0.000 2.543 111 R HA 0.402 4.747 4.340 0.009 0.000 0.277 111 R C -0.205 176.022 176.300 -0.122 0.000 1.074 111 R CA -0.142 55.882 56.100 -0.126 0.000 1.076 111 R CB 0.384 30.338 30.300 -0.577 0.000 0.993 111 R HN 0.713 nan 8.270 nan 0.000 0.459 112 I N -0.452 120.047 120.570 -0.120 0.000 3.102 112 I HA 0.420 4.595 4.170 0.009 0.000 0.310 112 I C -0.517 175.523 176.117 -0.129 0.000 1.246 112 I CA -1.177 60.068 61.300 -0.092 0.000 0.979 112 I CB 2.272 40.254 38.000 -0.030 0.000 1.267 112 I HN 0.688 nan 8.210 nan 0.000 0.451 113 S N 1.449 117.102 115.700 -0.079 0.000 2.603 113 S HA 0.249 4.724 4.470 0.009 0.000 0.268 113 S C 0.308 174.886 174.600 -0.036 0.000 1.317 113 S CA -0.340 57.835 58.200 -0.043 0.000 1.012 113 S CB 0.782 63.994 63.200 0.019 0.000 0.926 113 S HN 0.871 nan 8.310 nan 0.000 0.539 114 W N 0.797 122.091 121.300 -0.010 0.000 2.358 114 W HA -0.071 4.595 4.660 0.009 0.000 0.303 114 W C 2.251 178.734 176.519 -0.059 0.000 1.208 114 W CA 1.589 58.913 57.345 -0.036 0.000 1.274 114 W CB -0.439 28.993 29.460 -0.047 0.000 1.138 114 W HN 0.920 nan 8.180 nan 0.000 0.515 115 D N 0.098 120.617 120.400 0.198 0.000 2.092 115 D HA -0.282 4.363 4.640 0.009 0.000 0.193 115 D C 1.942 178.283 176.300 0.068 0.000 0.994 115 D CA 2.054 56.114 54.000 0.101 0.000 0.828 115 D CB -0.309 40.537 40.800 0.076 0.000 0.963 115 D HN 0.250 nan 8.370 nan 0.000 0.450 116 E N -0.582 119.650 120.200 0.054 0.000 2.072 116 E HA -0.176 4.180 4.350 0.009 0.000 0.191 116 E C 1.999 178.630 176.600 0.053 0.000 0.985 116 E CA 1.007 57.433 56.400 0.043 0.000 0.801 116 E CB -0.217 29.498 29.700 0.026 0.000 0.750 116 E HN 0.310 nan 8.360 nan 0.000 0.452 117 A N 0.703 123.544 122.820 0.035 0.000 1.883 117 A HA -0.220 4.105 4.320 0.009 0.000 0.217 117 A C 2.493 180.140 177.584 0.105 0.000 1.186 117 A CA 2.580 54.644 52.037 0.046 0.000 0.624 117 A CB -1.374 17.584 19.000 -0.071 0.000 0.822 117 A HN 0.545 nan 8.150 nan 0.000 0.444 118 T N -2.460 112.133 114.554 0.064 0.000 2.867 118 T HA -0.137 4.219 4.350 0.009 0.000 0.268 118 T C 1.352 176.124 174.700 0.120 0.000 1.057 118 T CA 1.523 63.621 62.100 -0.003 0.000 1.136 118 T CB -0.424 68.275 68.868 -0.280 0.000 0.874 118 T HN 0.350 nan 8.240 nan 0.000 0.466 119 D N 1.307 121.761 120.400 0.090 0.000 2.117 119 D HA 0.077 4.723 4.640 0.009 0.000 0.198 119 D C 2.084 178.446 176.300 0.103 0.000 0.982 119 D CA 0.672 54.729 54.000 0.094 0.000 0.828 119 D CB -0.291 40.547 40.800 0.064 0.000 0.967 119 D HN 0.428 nan 8.370 nan 0.000 0.464 120 I N 0.423 121.054 120.570 0.103 0.000 2.226 120 I HA -0.226 3.949 4.170 0.009 0.000 0.245 120 I C 2.328 178.474 176.117 0.048 0.000 1.100 120 I CA 0.615 61.959 61.300 0.072 0.000 1.374 120 I CB -0.064 38.014 38.000 0.130 0.000 1.057 120 I HN -0.099 nan 8.210 nan 0.000 0.413 121 V N 0.129 120.168 119.914 0.209 0.000 2.307 121 V HA -0.205 3.920 4.120 0.009 0.000 0.245 121 V C 2.428 178.655 176.094 0.222 0.000 1.045 121 V CA 1.333 63.802 62.300 0.282 0.000 1.024 121 V CB -0.394 31.648 31.823 0.365 0.000 0.651 121 V HN 0.215 nan 8.190 nan 0.000 0.449 122 V N 0.535 120.626 119.914 0.294 0.000 2.392 122 V HA -0.299 3.827 4.120 0.009 0.000 0.249 122 V C 2.723 178.899 176.094 0.137 0.000 1.059 122 V CA 2.119 64.572 62.300 0.255 0.000 1.051 122 V CB -1.129 30.849 31.823 0.257 0.000 0.658 122 V HN 0.566 nan 8.190 nan 0.000 0.455 123 A N -0.587 122.281 122.820 0.080 0.000 1.902 123 A HA -0.190 4.135 4.320 0.009 0.000 0.217 123 A C 2.214 179.802 177.584 0.006 0.000 1.181 123 A CA 1.608 53.664 52.037 0.031 0.000 0.623 123 A CB -0.393 18.606 19.000 -0.002 0.000 0.818 123 A HN 0.517 nan 8.150 nan 0.000 0.443 124 E N 0.048 120.212 120.200 -0.061 0.000 2.072 124 E HA -0.137 4.219 4.350 0.009 0.000 0.191 124 E C 2.015 178.674 176.600 0.100 0.000 0.985 124 E CA 1.031 57.391 56.400 -0.068 0.000 0.801 124 E CB -0.443 29.036 29.700 -0.367 0.000 0.750 124 E HN 0.731 nan 8.360 nan 0.000 0.452 125 I N 1.782 122.437 120.570 0.142 0.000 2.127 125 I HA -0.303 3.872 4.170 0.009 0.000 0.241 125 I C 1.974 178.161 176.117 0.116 0.000 1.075 125 I CA 1.112 62.520 61.300 0.180 0.000 1.334 125 I CB -0.377 37.747 38.000 0.207 0.000 1.040 125 I HN 0.041 nan 8.210 nan 0.000 0.405 126 N N 0.612 119.352 118.700 0.067 0.000 2.188 126 N HA -0.189 4.557 4.740 0.009 0.000 0.184 126 N C 1.850 177.354 175.510 -0.010 0.000 1.018 126 N CA 1.073 54.107 53.050 -0.026 0.000 0.858 126 N CB -0.492 37.977 38.487 -0.030 0.000 0.989 126 N HN 0.341 nan 8.380 nan 0.000 0.426 127 R N 1.028 121.564 120.500 0.060 0.000 2.070 127 R HA 0.008 4.353 4.340 0.009 0.000 0.233 127 R C 2.136 178.520 176.300 0.139 0.000 1.137 127 R CA 1.066 57.224 56.100 0.096 0.000 0.945 127 R CB -0.304 30.051 30.300 0.091 0.000 0.845 127 R HN 0.145 nan 8.270 nan 0.000 0.430 128 I N 0.910 121.595 120.570 0.192 0.000 2.226 128 I HA -0.274 3.901 4.170 0.009 0.000 0.245 128 I C 2.281 178.558 176.117 0.266 0.000 1.100 128 I CA 1.498 62.986 61.300 0.313 0.000 1.374 128 I CB -0.244 37.948 38.000 0.321 0.000 1.057 128 I HN 0.240 nan 8.210 nan 0.000 0.413 129 K N -0.191 120.309 120.400 0.168 0.000 2.057 129 K HA -0.182 4.143 4.320 0.009 0.000 0.207 129 K C 1.978 178.673 176.600 0.158 0.000 1.049 129 K CA 1.415 57.783 56.287 0.136 0.000 0.931 129 K CB -0.268 32.258 32.500 0.043 0.000 0.714 129 K HN 0.487 nan 8.250 nan 0.000 0.440 130 H N -1.096 118.008 119.070 0.057 0.000 2.529 130 H HA 0.049 4.611 4.556 0.009 0.000 0.277 130 H C 1.719 177.007 175.328 -0.065 0.000 0.999 130 H CA 0.378 56.431 56.048 0.008 0.000 1.256 130 H CB 0.394 30.161 29.762 0.009 0.000 1.402 130 H HN 0.248 nan 8.280 nan 0.000 0.566 131 A N -0.327 122.481 122.820 -0.020 0.000 2.014 131 A HA 0.030 4.355 4.320 0.009 0.000 0.210 131 A C 0.979 178.205 177.584 -0.596 0.000 1.188 131 A CA 0.426 52.233 52.037 -0.384 0.000 0.731 131 A CB 0.138 18.768 19.000 -0.618 0.000 0.858 131 A HN 0.308 nan 8.150 nan 0.000 0.464 132 Y N -1.329 119.044 120.300 0.121 0.000 2.494 132 Y HA 0.461 5.016 4.550 0.009 0.000 0.271 132 Y C 1.195 177.172 175.900 0.129 0.000 1.113 132 Y CA -0.102 58.067 58.100 0.115 0.000 1.240 132 Y CB 0.467 39.001 38.460 0.123 0.000 1.268 132 Y HN 0.507 nan 8.280 nan 0.000 0.510 133 G N 0.442 109.400 108.800 0.264 0.000 2.570 133 G HA2 -0.119 3.847 3.960 0.009 0.000 0.686 133 G HA3 -0.119 3.847 3.960 0.009 0.000 0.686 133 G C -2.460 172.582 174.900 0.236 0.000 1.257 133 G CA -0.727 44.507 45.100 0.224 0.000 0.846 133 G HN -0.111 nan 8.290 nan 0.000 0.627 134 P HA -0.092 nan 4.420 nan 0.000 0.219 134 P C 2.157 179.577 177.300 0.201 0.000 1.146 134 P CA 2.328 65.542 63.100 0.191 0.000 0.808 134 P CB 0.014 31.806 31.700 0.154 0.000 0.779 135 S N -0.830 114.995 115.700 0.210 0.000 2.474 135 S HA -0.036 4.439 4.470 0.009 0.000 0.235 135 S C 1.900 176.610 174.600 0.184 0.000 0.997 135 S CA 0.895 59.190 58.200 0.158 0.000 0.949 135 S CB -1.140 62.194 63.200 0.223 0.000 0.766 135 S HN 0.119 nan 8.310 nan 0.000 0.517 136 A N 0.862 123.814 122.820 0.219 0.000 2.206 136 A HA 0.422 4.747 4.320 0.009 0.000 0.211 136 A C 0.903 178.605 177.584 0.197 0.000 1.158 136 A CA 0.042 52.193 52.037 0.189 0.000 0.761 136 A CB -0.435 18.685 19.000 0.200 0.000 0.801 136 A HN 0.614 nan 8.150 nan 0.000 0.473 137 I N 1.490 122.203 120.570 0.239 0.000 2.287 137 I HA 0.191 4.367 4.170 0.009 0.000 0.290 137 I C -0.377 175.930 176.117 0.316 0.000 1.069 137 I CA -0.534 60.945 61.300 0.299 0.000 1.237 137 I CB 0.912 39.118 38.000 0.343 0.000 1.418 137 I HN 0.181 nan 8.210 nan 0.000 0.481 138 L N 6.448 127.821 121.223 0.251 0.000 2.395 138 L HA 0.535 4.881 4.340 0.009 0.000 0.269 138 L C 0.031 177.182 176.870 0.468 0.000 1.133 138 L CA 0.744 55.691 54.840 0.179 0.000 0.812 138 L CB 1.456 43.374 42.059 -0.236 0.000 1.125 138 L HN 0.584 nan 8.230 nan 0.000 0.452 139 S N 2.325 118.359 115.700 0.556 0.000 2.552 139 S HA 0.755 5.231 4.470 0.009 0.000 0.272 139 S C -1.101 173.933 174.600 0.723 0.000 1.150 139 S CA -0.139 58.500 58.200 0.731 0.000 0.849 139 S CB 1.331 64.871 63.200 0.568 0.000 1.113 139 S HN 1.028 nan 8.310 nan 0.000 0.458 140 T N 3.665 118.606 114.554 0.644 0.000 3.343 140 T HA 0.516 4.872 4.350 0.009 0.000 0.383 140 T C -3.006 171.833 174.700 0.231 0.000 1.615 140 T CA -0.649 61.714 62.100 0.439 0.000 1.153 140 T CB 1.662 70.699 68.868 0.281 0.000 1.434 140 T HN 0.464 nan 8.240 nan 0.000 0.476 141 P HA 0.687 nan 4.420 nan 0.000 0.323 141 P C -0.421 176.919 177.300 0.068 0.000 1.363 141 P CA -0.212 62.848 63.100 -0.068 0.000 0.851 141 P CB 1.022 32.360 31.700 -0.604 0.000 2.110 142 S N -2.824 112.890 115.700 0.024 0.000 2.776 142 S HA 0.341 4.817 4.470 0.009 0.000 0.292 142 S C 1.336 175.842 174.600 -0.157 0.000 1.187 142 S CA -0.274 57.861 58.200 -0.108 0.000 0.834 142 S CB 0.500 63.661 63.200 -0.063 0.000 1.199 142 S HN 0.257 nan 8.310 nan 0.000 0.514 143 S N 1.158 116.669 115.700 -0.314 0.000 2.368 143 S HA -0.098 4.377 4.470 0.009 0.000 0.226 143 S C 0.562 174.959 174.600 -0.339 0.000 1.044 143 S CA 1.443 59.504 58.200 -0.232 0.000 1.062 143 S CB -0.468 62.607 63.200 -0.208 0.000 0.931 143 S HN 0.629 nan 8.310 nan 0.000 0.440 144 H N -0.721 118.449 119.070 0.167 0.000 2.676 144 H HA 0.566 5.128 4.556 0.009 0.000 0.352 144 H C -0.158 175.281 175.328 0.186 0.000 1.193 144 H CA -0.379 55.834 56.048 0.275 0.000 1.243 144 H CB 1.300 31.283 29.762 0.368 0.000 1.751 144 H HN 0.252 nan 8.280 nan 0.000 0.567 145 H N 0.653 119.807 119.070 0.141 0.000 2.990 145 H HA 0.146 4.708 4.556 0.009 0.000 0.336 145 H C -0.535 174.876 175.328 0.138 0.000 1.306 145 H CA -0.692 55.302 56.048 -0.091 0.000 1.118 145 H CB 1.873 31.129 29.762 -0.843 0.000 1.856 145 H HN 0.369 nan 8.280 nan 0.000 0.538 146 M N 1.505 121.120 119.600 0.025 0.000 2.249 146 M HA -0.093 4.392 4.480 0.009 0.000 0.340 146 M C 0.684 177.279 176.300 0.492 0.000 1.166 146 M CA 0.399 55.859 55.300 0.266 0.000 1.115 146 M CB -0.195 32.493 32.600 0.147 0.000 1.606 146 M HN 0.421 nan 8.290 nan 0.000 0.448 147 W N 2.089 123.509 121.300 0.199 0.000 2.170 147 W HA 0.338 5.004 4.660 0.009 0.000 0.342 147 W C 0.261 176.897 176.519 0.195 0.000 1.294 147 W CA 0.652 58.112 57.345 0.192 0.000 1.246 147 W CB 0.987 30.479 29.460 0.054 0.000 1.156 147 W HN 0.764 nan 8.180 nan 0.000 0.572 148 G N 3.603 112.287 108.800 -0.193 0.000 2.693 148 G HA2 -0.210 3.756 3.960 0.009 0.000 0.290 148 G HA3 -0.210 3.756 3.960 0.009 0.000 0.290 148 G C -0.107 174.722 174.900 -0.119 0.000 1.378 148 G CA -0.690 44.356 45.100 -0.089 0.000 1.120 148 G HN 0.502 nan 8.290 nan 0.000 0.609 149 N N 0.461 119.016 118.700 -0.241 0.000 2.120 149 N HA -0.099 4.646 4.740 0.009 0.000 0.188 149 N C 2.574 177.991 175.510 -0.156 0.000 1.024 149 N CA 1.586 54.490 53.050 -0.243 0.000 0.852 149 N CB -0.029 38.251 38.487 -0.346 0.000 1.003 149 N HN 0.458 nan 8.380 nan 0.000 0.424 150 V N -0.055 119.725 119.914 -0.223 0.000 2.427 150 V HA -0.068 4.057 4.120 0.009 0.000 0.248 150 V C 2.036 178.133 176.094 0.006 0.000 1.051 150 V CA 1.919 64.146 62.300 -0.121 0.000 1.048 150 V CB -0.897 30.854 31.823 -0.120 0.000 0.666 150 V HN 0.402 nan 8.190 nan 0.000 0.456 151 G N -2.555 106.286 108.800 0.069 0.000 3.042 151 G HA2 -0.019 3.947 3.960 0.009 0.000 0.212 151 G HA3 -0.019 3.947 3.960 0.009 0.000 0.212 151 G C 0.359 175.315 174.900 0.094 0.000 1.166 151 G CA -0.255 44.941 45.100 0.159 0.000 0.767 151 G HN 0.416 nan 8.290 nan 0.000 0.546 152 Y N 1.695 121.899 120.300 -0.160 0.000 2.511 152 Y HA 0.087 4.643 4.550 0.009 0.000 0.347 152 Y C 2.403 178.028 175.900 -0.457 0.000 1.257 152 Y CA -0.059 57.750 58.100 -0.485 0.000 1.469 152 Y CB 0.809 39.100 38.460 -0.283 0.000 1.353 152 Y HN 0.214 nan 8.280 nan 0.000 0.617 153 R N 0.668 120.640 120.500 -0.879 0.000 2.127 153 R HA -0.218 4.127 4.340 0.009 0.000 0.238 153 R C 1.078 177.090 176.300 -0.480 0.000 1.134 153 R CA 2.288 57.979 56.100 -0.682 0.000 0.975 153 R CB -0.812 28.945 30.300 -0.905 0.000 0.865 153 R HN 0.772 nan 8.270 nan 0.000 0.447 154 H N 0.101 119.122 119.070 -0.081 0.000 2.521 154 H HA 0.055 4.617 4.556 0.009 0.000 0.286 154 H C 1.972 177.433 175.328 0.221 0.000 1.034 154 H CA 1.422 57.534 56.048 0.106 0.000 1.278 154 H CB 0.302 30.262 29.762 0.329 0.000 1.386 154 H HN 0.311 nan 8.280 nan 0.000 0.567 155 S N -1.352 114.491 115.700 0.239 0.000 2.826 155 S HA -0.034 4.441 4.470 0.009 0.000 0.193 155 S C 2.121 176.806 174.600 0.141 0.000 0.838 155 S CA 0.711 59.030 58.200 0.198 0.000 0.844 155 S CB -0.360 62.939 63.200 0.164 0.000 0.816 155 S HN 0.312 nan 8.310 nan 0.000 0.626 156 T N 1.175 115.819 114.554 0.149 0.000 2.708 156 T HA -0.061 4.294 4.350 0.009 0.000 0.266 156 T C 1.552 176.399 174.700 0.244 0.000 1.037 156 T CA 1.814 64.082 62.100 0.281 0.000 1.146 156 T CB -0.653 68.472 68.868 0.428 0.000 0.865 156 T HN 0.518 nan 8.240 nan 0.000 0.435 157 Y N 0.971 121.249 120.300 -0.037 0.000 2.070 157 Y HA -0.172 4.384 4.550 0.009 0.000 0.280 157 Y C 1.990 177.692 175.900 -0.331 0.000 1.148 157 Y CA 1.338 59.250 58.100 -0.314 0.000 1.125 157 Y CB -0.744 37.335 38.460 -0.635 0.000 0.975 157 Y HN 0.271 nan 8.280 nan 0.000 0.492 158 F N 0.016 119.834 119.950 -0.219 0.000 2.134 158 F HA -0.238 4.294 4.527 0.009 0.000 0.299 158 F C 2.805 178.448 175.800 -0.263 0.000 1.097 158 F CA 1.152 58.963 58.000 -0.314 0.000 1.264 158 F CB -0.322 38.613 39.000 -0.108 0.000 1.001 158 F HN 0.007 nan 8.300 nan 0.000 0.479 159 R N 0.017 120.577 120.500 0.100 0.000 2.105 159 R HA -0.236 4.109 4.340 0.009 0.000 0.239 159 R C 2.171 178.552 176.300 0.135 0.000 1.135 159 R CA 1.812 57.982 56.100 0.117 0.000 0.967 159 R CB -0.486 29.900 30.300 0.143 0.000 0.861 159 R HN 0.325 nan 8.270 nan 0.000 0.442 160 F N 0.396 120.252 119.950 -0.157 0.000 2.118 160 F HA -0.089 4.443 4.527 0.009 0.000 0.293 160 F C 2.089 177.496 175.800 -0.655 0.000 1.102 160 F CA 1.070 58.751 58.000 -0.532 0.000 1.247 160 F CB -0.115 38.126 39.000 -1.264 0.000 1.017 160 F HN -0.091 nan 8.300 nan 0.000 0.475 161 M N 0.728 119.790 119.600 -0.897 0.000 2.149 161 M HA -0.260 4.226 4.480 0.009 0.000 0.261 161 M C 1.758 177.639 176.300 -0.699 0.000 1.064 161 M CA 1.622 56.233 55.300 -1.149 0.000 1.102 161 M CB -1.920 29.534 32.600 -1.910 0.000 1.369 161 M HN 0.357 nan 8.290 nan 0.000 0.408 162 N N -0.298 118.176 118.700 -0.377 0.000 2.289 162 N HA -0.095 4.651 4.740 0.009 0.000 0.184 162 N C 1.588 177.005 175.510 -0.155 0.000 1.016 162 N CA 0.872 53.856 53.050 -0.109 0.000 0.872 162 N CB -0.052 38.373 38.487 -0.105 0.000 0.973 162 N HN 0.365 nan 8.380 nan 0.000 0.433 163 M N -0.413 119.008 119.600 -0.298 0.000 2.509 163 M HA 0.101 4.586 4.480 0.009 0.000 0.250 163 M C 1.700 177.786 176.300 -0.356 0.000 1.132 163 M CA 0.348 55.483 55.300 -0.275 0.000 1.080 163 M CB 0.390 32.835 32.600 -0.259 0.000 1.408 163 M HN 0.222 nan 8.290 nan 0.000 0.484 164 M N -0.797 118.508 119.600 -0.492 0.000 2.962 164 M HA 0.241 4.726 4.480 0.009 0.000 0.242 164 M C 1.170 177.405 176.300 -0.109 0.000 1.396 164 M CA 1.286 56.345 55.300 -0.402 0.000 1.287 164 M CB -0.329 31.843 32.600 -0.713 0.000 1.168 164 M HN 0.146 nan 8.290 nan 0.000 0.557 165 G N -0.350 108.448 108.800 -0.004 0.000 3.410 165 G HA2 0.559 4.524 3.960 0.009 0.000 0.189 165 G HA3 0.559 4.524 3.960 0.009 0.000 0.189 165 G C -0.830 174.256 174.900 0.310 0.000 1.404 165 G CA -0.028 45.210 45.100 0.230 0.000 0.898 165 G HN 0.553 nan 8.290 nan 0.000 0.650 166 F N -3.074 116.859 119.950 -0.029 0.000 2.878 166 F HA 0.569 5.102 4.527 0.009 0.000 0.322 166 F C -1.222 174.604 175.800 0.043 0.000 1.154 166 F CA -1.152 56.864 58.000 0.027 0.000 0.896 166 F CB 1.143 40.151 39.000 0.013 0.000 1.313 166 F HN 0.386 nan 8.300 nan 0.000 0.451 167 T N 2.207 116.736 114.554 -0.042 0.000 2.744 167 T HA 0.287 4.642 4.350 0.009 0.000 0.291 167 T C -1.484 173.185 174.700 -0.052 0.000 0.957 167 T CA -0.169 61.836 62.100 -0.159 0.000 1.002 167 T CB 0.272 69.132 68.868 -0.013 0.000 0.919 167 T HN 0.541 nan 8.240 nan 0.000 0.468 168 Y N 2.916 122.990 120.300 -0.376 0.000 2.308 168 Y HA 0.516 5.071 4.550 0.009 0.000 0.329 168 Y C 0.118 176.023 175.900 0.009 0.000 1.111 168 Y CA -1.911 56.147 58.100 -0.070 0.000 1.179 168 Y CB 0.722 39.100 38.460 -0.137 0.000 1.201 168 Y HN 0.675 nan 8.280 nan 0.000 0.483 169 A N 5.924 128.558 122.820 -0.310 0.000 2.923 169 A HA 0.169 4.494 4.320 0.009 0.000 0.306 169 A C -0.185 177.023 177.584 -0.626 0.000 1.542 169 A CA -0.579 51.256 52.037 -0.336 0.000 1.225 169 A CB -0.850 18.041 19.000 -0.182 0.000 1.147 169 A HN 0.758 nan 8.150 nan 0.000 0.542 170 D N 1.610 121.728 120.400 -0.471 0.000 2.488 170 D HA -0.006 4.639 4.640 0.009 0.000 0.238 170 D C 0.028 176.209 176.300 -0.200 0.000 1.138 170 D CA 0.671 54.408 54.000 -0.438 0.000 0.873 170 D CB 0.394 41.131 40.800 -0.106 0.000 1.183 170 D HN 0.536 nan 8.370 nan 0.000 0.458 171 H N 2.487 121.436 119.070 -0.202 0.000 2.683 171 H HA 0.101 4.662 4.556 0.009 0.000 0.339 171 H C 0.583 175.993 175.328 0.136 0.000 1.081 171 H CA -0.404 55.605 56.048 -0.066 0.000 1.432 171 H CB 0.308 30.032 29.762 -0.063 0.000 1.462 171 H HN 0.391 nan 8.280 nan 0.000 0.557 172 N N 3.983 122.894 118.700 0.350 0.000 2.525 172 N HA 0.046 4.792 4.740 0.009 0.000 0.271 172 N C -2.510 173.317 175.510 0.528 0.000 1.194 172 N CA -1.656 51.633 53.050 0.399 0.000 0.964 172 N CB 0.913 39.593 38.487 0.322 0.000 1.126 172 N HN 0.301 nan 8.380 nan 0.000 0.452 173 P HA 0.016 nan 4.420 nan 0.000 0.232 173 P C -0.110 177.382 177.300 0.320 0.000 1.738 173 P CA -0.170 62.929 63.100 -0.001 0.000 0.948 173 P CB -0.345 30.929 31.700 -0.710 0.000 1.943 174 D N 0.233 120.831 120.400 0.330 0.000 2.160 174 D HA -0.256 4.390 4.640 0.009 0.000 0.189 174 D C 1.541 177.877 176.300 0.060 0.000 1.003 174 D CA 1.836 55.947 54.000 0.185 0.000 0.846 174 D CB -1.383 39.473 40.800 0.094 0.000 0.949 174 D HN 0.126 nan 8.370 nan 0.000 0.446 175 S N -0.880 114.718 115.700 -0.170 0.000 2.383 175 S HA -0.131 4.344 4.470 0.009 0.000 0.229 175 S C 1.523 175.726 174.600 -0.663 0.000 1.030 175 S CA 1.273 58.931 58.200 -0.902 0.000 1.002 175 S CB -0.448 61.561 63.200 -1.985 0.000 0.829 175 S HN 0.484 nan 8.310 nan 0.000 0.467 176 W N 1.258 122.549 121.300 -0.016 0.000 3.177 176 W HA 0.218 4.883 4.660 0.008 0.000 0.309 176 W C 1.298 178.027 176.519 0.350 0.000 1.224 176 W CA -0.514 57.009 57.345 0.297 0.000 1.718 176 W CB -0.307 29.282 29.460 0.217 0.000 1.078 176 W HN 0.228 nan 8.180 nan 0.000 0.618 177 E N 0.910 121.410 120.200 0.501 0.000 2.654 177 E HA -0.307 4.048 4.350 0.009 0.000 0.247 177 E C 2.151 179.102 176.600 0.585 0.000 0.985 177 E CA 2.527 59.262 56.400 0.558 0.000 1.260 177 E CB -1.437 28.505 29.700 0.403 0.000 1.214 177 E HN 0.336 nan 8.360 nan 0.000 0.499 178 G N -0.524 108.502 108.800 0.375 0.000 2.442 178 G HA2 -0.220 3.745 3.960 0.009 0.000 0.219 178 G HA3 -0.220 3.745 3.960 0.009 0.000 0.219 178 G C 1.418 176.361 174.900 0.070 0.000 1.141 178 G CA 0.980 46.180 45.100 0.166 0.000 0.763 178 G HN 0.311 nan 8.290 nan 0.000 0.554 179 W N -0.532 120.906 121.300 0.230 0.000 2.418 179 W HA 0.094 4.759 4.660 0.008 0.000 0.292 179 W C 2.448 179.040 176.519 0.121 0.000 1.213 179 W CA 0.821 58.256 57.345 0.150 0.000 1.283 179 W CB -0.370 29.235 29.460 0.242 0.000 1.119 179 W HN 0.237 nan 8.180 nan 0.000 0.542 180 H N -1.139 118.090 119.070 0.264 0.000 2.284 180 H HA -0.164 4.397 4.556 0.009 0.000 0.304 180 H C 1.357 176.577 175.328 -0.179 0.000 1.069 180 H CA 2.172 58.160 56.048 -0.101 0.000 1.327 180 H CB -0.853 28.720 29.762 -0.315 0.000 1.387 180 H HN 0.192 nan 8.280 nan 0.000 0.498 181 W N 0.355 121.844 121.300 0.315 0.000 2.905 181 W HA 0.182 4.847 4.660 0.008 0.000 0.251 181 W C 2.325 178.987 176.519 0.240 0.000 1.305 181 W CA 0.558 58.059 57.345 0.261 0.000 1.465 181 W CB 0.108 29.747 29.460 0.297 0.000 1.122 181 W HN 0.299 nan 8.180 nan 0.000 0.659 182 G N -0.685 108.303 108.800 0.313 0.000 2.732 182 G HA2 0.124 4.090 3.960 0.009 0.000 0.206 182 G HA3 0.124 4.090 3.960 0.009 0.000 0.206 182 G C 1.639 176.561 174.900 0.037 0.000 1.253 182 G CA 0.381 45.595 45.100 0.189 0.000 0.796 182 G HN 0.175 nan 8.290 nan 0.000 0.616 183 G N 1.089 109.824 108.800 -0.108 0.000 2.469 183 G HA2 -0.307 3.658 3.960 0.009 0.000 0.219 183 G HA3 -0.307 3.658 3.960 0.009 0.000 0.219 183 G C 1.806 176.699 174.900 -0.013 0.000 1.150 183 G CA 1.362 46.338 45.100 -0.207 0.000 0.763 183 G HN 0.342 nan 8.290 nan 0.000 0.561 184 M N -0.059 119.551 119.600 0.016 0.000 2.108 184 M HA -0.189 4.297 4.480 0.009 0.000 0.257 184 M C 2.367 178.572 176.300 -0.157 0.000 1.071 184 M CA 1.659 56.901 55.300 -0.096 0.000 1.093 184 M CB -0.307 32.040 32.600 -0.422 0.000 1.345 184 M HN 0.358 nan 8.290 nan 0.000 0.403 185 H N -1.329 117.735 119.070 -0.011 0.000 2.491 185 H HA -0.106 4.455 4.556 0.009 0.000 0.290 185 H C 1.920 177.244 175.328 -0.006 0.000 1.050 185 H CA 1.628 57.668 56.048 -0.013 0.000 1.309 185 H CB -0.321 29.431 29.762 -0.015 0.000 1.392 185 H HN 0.536 nan 8.280 nan 0.000 0.554 186 M N 0.001 119.623 119.600 0.037 0.000 2.357 186 M HA -0.059 4.426 4.480 0.009 0.000 0.266 186 M C 0.896 177.231 176.300 0.059 0.000 1.095 186 M CA 1.098 56.356 55.300 -0.070 0.000 1.156 186 M CB 0.418 32.810 32.600 -0.346 0.000 1.365 186 M HN 0.314 nan 8.290 nan 0.000 0.447 187 W N -0.484 120.760 121.300 -0.095 0.000 2.055 187 W HA 0.620 5.285 4.660 0.008 0.000 0.293 187 W C 0.230 176.662 176.519 -0.144 0.000 0.886 187 W CA -0.295 56.990 57.345 -0.100 0.000 1.384 187 W CB -1.209 28.219 29.460 -0.053 0.000 1.068 187 W HN 0.430 nan 8.180 nan 0.000 0.513 188 G N 2.036 110.931 108.800 0.159 0.000 2.527 188 G HA2 -0.330 3.636 3.960 0.009 0.000 0.262 188 G HA3 -0.330 3.636 3.960 0.009 0.000 0.262 188 G C 0.361 175.078 174.900 -0.304 0.000 1.153 188 G CA 0.683 45.702 45.100 -0.137 0.000 0.954 188 G HN 0.582 nan 8.290 nan 0.000 0.552 189 F N 0.750 120.181 119.950 -0.865 0.000 3.093 189 F HA -0.241 4.291 4.527 0.008 0.000 0.287 189 F C 2.303 177.375 175.800 -1.214 0.000 0.882 189 F CA 1.625 58.673 58.000 -1.586 0.000 1.063 189 F CB -1.813 36.501 39.000 -1.143 0.000 1.097 189 F HN 1.284 nan 8.300 nan 0.000 0.604 190 S N -0.201 115.111 115.700 -0.648 0.000 2.370 190 S HA -0.264 4.211 4.470 0.009 0.000 0.226 190 S C 1.570 176.070 174.600 -0.167 0.000 1.033 190 S CA 1.447 59.463 58.200 -0.306 0.000 1.011 190 S CB -0.933 62.188 63.200 -0.132 0.000 0.852 190 S HN 0.727 nan 8.310 nan 0.000 0.457 191 W N 1.396 122.735 121.300 0.065 0.000 2.632 191 W HA 0.278 4.943 4.660 0.008 0.000 0.248 191 W C 1.688 178.319 176.519 0.188 0.000 1.259 191 W CA 0.096 57.545 57.345 0.174 0.000 1.288 191 W CB -0.299 29.245 29.460 0.141 0.000 1.136 191 W HN 0.113 nan 8.180 nan 0.000 0.640 192 R N 0.640 120.904 120.500 -0.393 0.000 2.577 192 R HA 0.266 4.611 4.340 0.009 0.000 0.344 192 R C 0.585 176.689 176.300 -0.326 0.000 1.037 192 R CA -0.238 55.695 56.100 -0.278 0.000 1.102 192 R CB -0.123 29.917 30.300 -0.433 0.000 1.313 192 R HN 0.181 nan 8.270 nan 0.000 0.561 193 L N 0.179 121.141 121.223 -0.436 0.000 3.839 193 L HA -0.328 4.018 4.340 0.009 0.000 0.416 193 L C 0.827 177.597 176.870 -0.167 0.000 1.195 193 L CA 0.834 55.348 54.840 -0.544 0.000 0.946 193 L CB -1.758 39.484 42.059 -1.362 0.000 1.891 193 L HN 0.669 nan 8.230 nan 0.000 0.963 194 G N -2.399 106.339 108.800 -0.102 0.000 2.254 194 G HA2 -0.247 3.718 3.960 0.009 0.000 0.225 194 G HA3 -0.247 3.718 3.960 0.009 0.000 0.225 194 G C 0.295 175.349 174.900 0.258 0.000 1.003 194 G CA 0.185 45.417 45.100 0.219 0.000 0.622 194 G HN 0.367 nan 8.290 nan 0.000 0.507 195 N N 2.457 121.091 118.700 -0.110 0.000 2.444 195 N HA 0.470 5.215 4.740 0.009 0.000 0.255 195 N C -2.158 172.803 175.510 -0.915 0.000 1.255 195 N CA -0.860 51.873 53.050 -0.528 0.000 0.933 195 N CB 1.094 39.245 38.487 -0.561 0.000 1.143 195 N HN 0.301 nan 8.380 nan 0.000 0.453 196 P HA 0.154 nan 4.420 nan 0.000 0.281 196 P C -0.535 176.168 177.300 -0.994 0.000 1.264 196 P CA -0.412 61.769 63.100 -1.532 0.000 0.824 196 P CB 1.134 32.329 31.700 -0.841 0.000 1.092 197 E N 0.527 120.231 120.200 -0.826 0.000 2.392 197 E HA -0.001 4.354 4.350 0.009 0.000 0.259 197 E C 0.244 176.675 176.600 -0.282 0.000 1.108 197 E CA -0.080 56.152 56.400 -0.280 0.000 0.916 197 E CB 0.369 30.210 29.700 0.235 0.000 0.989 197 E HN 0.278 nan 8.360 nan 0.000 0.432 198 Q N 2.022 121.601 119.800 -0.368 0.000 2.081 198 Q HA 0.050 4.395 4.340 0.009 0.000 0.220 198 Q C -0.885 174.983 176.000 -0.219 0.000 0.775 198 Q CA -0.204 55.442 55.803 -0.261 0.000 0.983 198 Q CB 0.370 28.948 28.738 -0.267 0.000 1.188 198 Q HN 0.564 nan 8.270 nan 0.000 0.458 199 Y N 2.510 122.728 120.300 -0.137 0.000 2.987 199 Y HA -0.177 4.378 4.550 0.008 0.000 0.339 199 Y C 0.965 176.866 175.900 0.002 0.000 1.272 199 Y CA 0.700 58.729 58.100 -0.119 0.000 1.562 199 Y CB 0.145 38.503 38.460 -0.170 0.000 1.253 199 Y HN 0.143 nan 8.280 nan 0.000 0.604 200 D N 1.562 122.124 120.400 0.270 0.000 2.882 200 D HA -0.258 4.387 4.640 0.009 0.000 0.229 200 D C 0.809 177.032 176.300 -0.129 0.000 1.167 200 D CA 0.851 54.906 54.000 0.092 0.000 0.759 200 D CB -0.856 40.033 40.800 0.148 0.000 1.088 200 D HN 0.653 nan 8.370 nan 0.000 0.425 201 L N -0.563 120.481 121.223 -0.298 0.000 2.341 201 L HA -0.069 4.276 4.340 0.009 0.000 0.214 201 L C 2.426 178.645 176.870 -1.085 0.000 1.115 201 L CA 0.100 54.503 54.840 -0.727 0.000 0.820 201 L CB -0.092 41.312 42.059 -1.091 0.000 0.944 201 L HN 0.139 nan 8.230 nan 0.000 0.452 202 L N 0.553 121.401 121.223 -0.626 0.000 1.970 202 L HA -0.262 4.083 4.340 0.009 0.000 0.212 202 L C 2.467 179.126 176.870 -0.351 0.000 1.071 202 L CA 2.097 56.709 54.840 -0.380 0.000 0.751 202 L CB -0.561 41.442 42.059 -0.093 0.000 0.889 202 L HN 0.301 nan 8.230 nan 0.000 0.432 203 E N -0.948 119.090 120.200 -0.270 0.000 2.085 203 E HA -0.316 4.039 4.350 0.009 0.000 0.194 203 E C 1.906 178.378 176.600 -0.213 0.000 0.994 203 E CA 1.644 57.931 56.400 -0.188 0.000 0.801 203 E CB -0.235 29.392 29.700 -0.123 0.000 0.743 203 E HN 0.674 nan 8.360 nan 0.000 0.453 204 D N -0.801 119.455 120.400 -0.240 0.000 2.123 204 D HA -0.124 4.521 4.640 0.009 0.000 0.196 204 D C 1.887 178.092 176.300 -0.158 0.000 0.992 204 D CA 1.801 55.731 54.000 -0.116 0.000 0.833 204 D CB -0.470 40.280 40.800 -0.082 0.000 0.954 204 D HN 0.303 nan 8.370 nan 0.000 0.455 205 G N 0.023 108.502 108.800 -0.534 0.000 2.402 205 G HA2 -0.175 3.791 3.960 0.009 0.000 0.216 205 G HA3 -0.175 3.791 3.960 0.009 0.000 0.216 205 G C 1.707 176.521 174.900 -0.142 0.000 1.162 205 G CA 0.414 45.204 45.100 -0.516 0.000 0.777 205 G HN 0.319 nan 8.290 nan 0.000 0.539 206 L N -0.204 120.915 121.223 -0.174 0.000 2.131 206 L HA -0.046 4.299 4.340 0.009 0.000 0.210 206 L C 2.901 179.679 176.870 -0.154 0.000 1.092 206 L CA 1.160 55.892 54.840 -0.180 0.000 0.759 206 L CB -0.183 41.679 42.059 -0.329 0.000 0.903 206 L HN 0.200 nan 8.230 nan 0.000 0.435 207 K N -1.473 118.787 120.400 -0.233 0.000 2.186 207 K HA -0.021 4.304 4.320 0.009 0.000 0.202 207 K C 1.568 177.886 176.600 -0.470 0.000 1.052 207 K CA 0.744 56.788 56.287 -0.404 0.000 0.965 207 K CB 0.181 32.273 32.500 -0.680 0.000 0.746 207 K HN 0.404 nan 8.250 nan 0.000 0.457 208 H N -1.197 117.930 119.070 0.095 0.000 3.255 208 H HA 0.273 4.835 4.556 0.009 0.000 0.256 208 H C 0.262 175.723 175.328 0.223 0.000 1.049 208 H CA -0.146 55.988 56.048 0.144 0.000 1.202 208 H CB 0.284 30.134 29.762 0.148 0.000 1.497 208 H HN 0.022 nan 8.280 nan 0.000 0.503 209 A N 1.597 124.647 122.820 0.384 0.000 2.531 209 A HA 0.058 4.383 4.320 0.009 0.000 0.236 209 A C 0.794 178.532 177.584 0.256 0.000 1.062 209 A CA 0.402 52.700 52.037 0.435 0.000 0.760 209 A CB 0.429 19.635 19.000 0.342 0.000 0.995 209 A HN 0.469 nan 8.150 nan 0.000 0.501 210 E N 0.566 120.900 120.200 0.223 0.000 2.467 210 E HA 0.253 4.609 4.350 0.009 0.000 0.213 210 E C -0.005 176.664 176.600 0.115 0.000 0.823 210 E CA 0.187 56.670 56.400 0.138 0.000 1.233 210 E CB 0.614 30.380 29.700 0.110 0.000 1.233 210 E HN 0.789 nan 8.360 nan 0.000 0.585 211 M N 1.023 120.704 119.600 0.135 0.000 2.534 211 M HA 0.433 4.918 4.480 0.009 0.000 0.280 211 M C -2.184 174.158 176.300 0.070 0.000 1.217 211 M CA -0.458 54.895 55.300 0.088 0.000 0.893 211 M CB 2.338 34.944 32.600 0.011 0.000 1.730 211 M HN -0.126 nan 8.290 nan 0.000 0.483 212 I N 3.420 124.003 120.570 0.021 0.000 2.534 212 I HA 0.433 4.608 4.170 0.009 0.000 0.288 212 I C -1.121 174.723 176.117 -0.455 0.000 1.077 212 I CA -1.006 60.149 61.300 -0.241 0.000 1.051 212 I CB 2.318 40.089 38.000 -0.382 0.000 1.234 212 I HN 0.366 nan 8.210 nan 0.000 0.425 213 V N 6.446 126.005 119.914 -0.592 0.000 2.294 213 V HA 0.299 4.424 4.120 0.009 0.000 0.272 213 V C -0.436 175.364 176.094 -0.491 0.000 1.027 213 V CA -0.382 61.601 62.300 -0.528 0.000 0.823 213 V CB 0.473 31.924 31.823 -0.620 0.000 1.030 213 V HN 0.378 nan 8.190 nan 0.000 0.457 214 F N 4.421 124.085 119.950 -0.476 0.000 2.439 214 F HA 0.283 4.815 4.527 0.009 0.000 0.356 214 F C 0.214 175.976 175.800 -0.063 0.000 1.161 214 F CA -0.156 57.608 58.000 -0.394 0.000 1.151 214 F CB 0.496 38.915 39.000 -0.968 0.000 1.222 214 F HN 0.495 nan 8.300 nan 0.000 0.558 215 W N 4.209 125.607 121.300 0.163 0.000 2.294 215 W HA 0.269 4.933 4.660 0.007 0.000 0.314 215 W C 0.656 177.381 176.519 0.343 0.000 1.044 215 W CA -1.121 56.413 57.345 0.315 0.000 1.284 215 W CB 1.331 31.074 29.460 0.471 0.000 1.231 215 W HN 0.517 nan 8.180 nan 0.000 0.419 216 S N 3.570 119.576 115.700 0.509 0.000 3.682 216 S HA -0.224 4.251 4.470 0.009 0.000 0.354 216 S C -0.302 174.459 174.600 0.269 0.000 1.034 216 S CA 1.358 59.714 58.200 0.260 0.000 1.084 216 S CB -1.213 61.942 63.200 -0.075 0.000 0.903 216 S HN 0.530 nan 8.310 nan 0.000 0.470 217 S N 0.914 116.798 115.700 0.306 0.000 2.647 217 S HA 0.567 5.042 4.470 0.009 0.000 0.300 217 S C -1.303 173.424 174.600 0.213 0.000 1.129 217 S CA -0.503 57.858 58.200 0.269 0.000 1.029 217 S CB 1.607 65.022 63.200 0.357 0.000 1.007 217 S HN 0.413 nan 8.310 nan 0.000 0.484 218 D N 5.409 125.876 120.400 0.111 0.000 2.502 218 D HA 0.392 5.037 4.640 0.009 0.000 0.301 218 D C -1.942 174.353 176.300 -0.008 0.000 1.202 218 D CA -2.038 51.985 54.000 0.037 0.000 0.878 218 D CB 1.414 42.237 40.800 0.038 0.000 1.062 218 D HN 0.220 nan 8.370 nan 0.000 0.499 219 P HA -0.173 nan 4.420 nan 0.000 0.216 219 P C 1.305 178.567 177.300 -0.063 0.000 1.157 219 P CA 1.084 64.143 63.100 -0.068 0.000 0.880 219 P CB 0.529 32.158 31.700 -0.119 0.000 0.791 220 E N -0.819 119.353 120.200 -0.047 0.000 2.038 220 E HA -0.140 4.215 4.350 0.009 0.000 0.195 220 E C 2.069 178.691 176.600 0.036 0.000 1.000 220 E CA 1.608 58.039 56.400 0.051 0.000 0.803 220 E CB -1.468 28.262 29.700 0.049 0.000 0.750 220 E HN 0.258 nan 8.360 nan 0.000 0.448 221 T N 2.381 116.938 114.554 0.006 0.000 2.643 221 T HA -0.096 4.259 4.350 0.009 0.000 0.264 221 T C 1.612 176.240 174.700 -0.120 0.000 1.045 221 T CA 1.391 63.461 62.100 -0.051 0.000 1.155 221 T CB -0.195 68.683 68.868 0.017 0.000 0.863 221 T HN 0.146 nan 8.240 nan 0.000 0.420 222 N N 0.955 119.597 118.700 -0.096 0.000 2.333 222 N HA -0.047 4.699 4.740 0.009 0.000 0.178 222 N C 1.365 176.801 175.510 -0.122 0.000 1.018 222 N CA 1.167 54.150 53.050 -0.112 0.000 0.882 222 N CB -0.086 38.346 38.487 -0.091 0.000 0.984 222 N HN 0.565 nan 8.380 nan 0.000 0.434 223 S N -1.376 114.249 115.700 -0.126 0.000 3.358 223 S HA -0.234 4.241 4.470 0.009 0.000 0.309 223 S C 1.117 175.649 174.600 -0.113 0.000 1.247 223 S CA 2.040 60.155 58.200 -0.141 0.000 0.961 223 S CB -1.974 61.100 63.200 -0.211 0.000 1.074 223 S HN 0.798 nan 8.310 nan 0.000 0.625 224 G N 1.149 109.901 108.800 -0.080 0.000 5.259 224 G HA2 -0.218 3.747 3.960 0.009 0.000 0.288 224 G HA3 -0.218 3.747 3.960 0.009 0.000 0.288 224 G C 0.022 174.926 174.900 0.006 0.000 1.534 224 G CA 0.050 45.105 45.100 -0.075 0.000 1.031 224 G HN 1.968 nan 8.290 nan 0.000 0.724 225 I N -1.741 118.786 120.570 -0.071 0.000 2.728 225 I HA 0.368 4.543 4.170 0.009 0.000 0.286 225 I C 0.389 176.414 176.117 -0.152 0.000 1.623 225 I CA -0.209 60.969 61.300 -0.204 0.000 1.048 225 I CB 0.490 38.356 38.000 -0.223 0.000 1.474 225 I HN 1.159 nan 8.210 nan 0.000 0.439 226 Y N 3.405 123.718 120.300 0.023 0.000 4.753 226 Y HA -0.313 4.242 4.550 0.009 0.000 0.232 226 Y C 1.103 176.994 175.900 -0.015 0.000 1.029 226 Y CA 0.749 58.819 58.100 -0.050 0.000 1.996 226 Y CB -1.735 36.645 38.460 -0.133 0.000 1.602 226 Y HN 0.663 nan 8.280 nan 0.000 0.621 227 A N 0.099 122.940 122.820 0.036 0.000 2.545 227 A HA 0.586 4.911 4.320 0.009 0.000 0.277 227 A C 1.763 179.327 177.584 -0.033 0.000 1.301 227 A CA 0.896 52.897 52.037 -0.059 0.000 0.935 227 A CB -0.673 18.212 19.000 -0.192 0.000 1.093 227 A HN 1.231 nan 8.150 nan 0.000 0.519 228 G N 0.503 109.234 108.800 -0.116 0.000 2.692 228 G HA2 -0.366 3.600 3.960 0.009 0.000 0.339 228 G HA3 -0.366 3.600 3.960 0.009 0.000 0.339 228 G C 0.252 174.730 174.900 -0.703 0.000 1.226 228 G CA 1.289 46.162 45.100 -0.379 0.000 0.979 228 G HN 0.757 nan 8.290 nan 0.000 0.549 229 F N 1.566 121.505 119.950 -0.018 0.000 2.790 229 F HA 0.384 4.916 4.527 0.008 0.000 0.371 229 F C 1.596 177.368 175.800 -0.047 0.000 1.293 229 F CA -0.055 57.910 58.000 -0.057 0.000 1.205 229 F CB 1.062 40.014 39.000 -0.080 0.000 1.047 229 F HN 0.241 nan 8.300 nan 0.000 0.510 230 E N 0.277 120.518 120.200 0.069 0.000 2.118 230 E HA -0.174 4.181 4.350 0.009 0.000 0.195 230 E C 2.158 178.760 176.600 0.003 0.000 0.992 230 E CA 1.721 58.149 56.400 0.047 0.000 0.804 230 E CB -0.166 29.530 29.700 -0.007 0.000 0.741 230 E HN 0.415 nan 8.360 nan 0.000 0.458 231 S N 0.797 116.483 115.700 -0.024 0.000 2.593 231 S HA -0.022 4.453 4.470 0.009 0.000 0.217 231 S C 1.555 176.096 174.600 -0.098 0.000 0.966 231 S CA 0.235 58.398 58.200 -0.062 0.000 0.914 231 S CB -0.138 63.015 63.200 -0.078 0.000 0.776 231 S HN 0.152 nan 8.310 nan 0.000 0.523 232 N N 2.464 121.129 118.700 -0.059 0.000 2.061 232 N HA -0.160 4.585 4.740 0.009 0.000 0.193 232 N C 1.629 177.032 175.510 -0.177 0.000 1.030 232 N CA 1.816 54.815 53.050 -0.084 0.000 0.856 232 N CB -0.422 38.036 38.487 -0.048 0.000 1.023 232 N HN 0.605 nan 8.380 nan 0.000 0.424 233 I N 0.775 121.177 120.570 -0.281 0.000 2.493 233 I HA -0.173 4.002 4.170 0.009 0.000 0.254 233 I C 2.232 177.815 176.117 -0.889 0.000 1.160 233 I CA 0.659 61.638 61.300 -0.535 0.000 1.445 233 I CB -0.016 37.627 38.000 -0.594 0.000 1.086 233 I HN 0.170 nan 8.210 nan 0.000 0.433 234 R N 0.174 120.308 120.500 -0.609 0.000 2.075 234 R HA -0.095 4.251 4.340 0.009 0.000 0.232 234 R C 2.264 178.540 176.300 -0.039 0.000 1.126 234 R CA 1.100 56.994 56.100 -0.343 0.000 0.963 234 R CB -0.296 29.969 30.300 -0.058 0.000 0.858 234 R HN 0.324 nan 8.270 nan 0.000 0.435 235 R N 0.229 120.704 120.500 -0.042 0.000 2.189 235 R HA -0.089 4.256 4.340 0.009 0.000 0.218 235 R C 2.167 178.609 176.300 0.236 0.000 1.074 235 R CA 0.802 56.983 56.100 0.136 0.000 0.991 235 R CB 0.014 30.315 30.300 0.003 0.000 0.883 235 R HN 0.109 nan 8.270 nan 0.000 0.457 236 Q N 0.056 119.885 119.800 0.048 0.000 2.083 236 Q HA -0.144 4.201 4.340 0.009 0.000 0.198 236 Q C 1.426 177.565 176.000 0.232 0.000 0.969 236 Q CA 1.496 57.345 55.803 0.076 0.000 0.838 236 Q CB -0.064 28.638 28.738 -0.059 0.000 0.900 236 Q HN 0.264 nan 8.270 nan 0.000 0.436 237 W N 0.476 121.876 121.300 0.166 0.000 2.355 237 W HA -0.098 4.567 4.660 0.008 0.000 0.309 237 W C 1.979 178.565 176.519 0.113 0.000 1.206 237 W CA 0.701 58.154 57.345 0.179 0.000 1.284 237 W CB -1.101 28.397 29.460 0.064 0.000 1.145 237 W HN 0.235 nan 8.180 nan 0.000 0.502 238 L N 0.271 121.708 121.223 0.358 0.000 2.017 238 L HA -0.236 4.110 4.340 0.009 0.000 0.208 238 L C 2.595 179.557 176.870 0.154 0.000 1.073 238 L CA 1.771 56.778 54.840 0.280 0.000 0.745 238 L CB -1.011 41.302 42.059 0.425 0.000 0.894 238 L HN -0.067 nan 8.230 nan 0.000 0.432 239 K N 0.186 120.663 120.400 0.129 0.000 2.032 239 K HA -0.229 4.097 4.320 0.009 0.000 0.209 239 K C 1.564 178.159 176.600 -0.007 0.000 1.048 239 K CA 1.995 58.217 56.287 -0.110 0.000 0.927 239 K CB -0.060 32.439 32.500 -0.000 0.000 0.712 239 K HN 0.273 nan 8.250 nan 0.000 0.441 240 D N 0.636 121.104 120.400 0.114 0.000 2.312 240 D HA -0.089 4.556 4.640 0.009 0.000 0.211 240 D C 1.562 177.936 176.300 0.125 0.000 0.964 240 D CA 0.670 54.746 54.000 0.127 0.000 0.877 240 D CB 0.121 41.039 40.800 0.197 0.000 0.924 240 D HN 0.292 nan 8.370 nan 0.000 0.515 241 L N -0.448 120.856 121.223 0.136 0.000 2.591 241 L HA 0.137 4.483 4.340 0.009 0.000 0.228 241 L C 1.358 178.267 176.870 0.066 0.000 1.133 241 L CA 0.298 55.212 54.840 0.123 0.000 0.880 241 L CB 0.010 42.151 42.059 0.138 0.000 1.033 241 L HN 0.105 nan 8.230 nan 0.000 0.450 242 G N -0.041 108.772 108.800 0.022 0.000 2.141 242 G HA2 -0.237 3.728 3.960 0.009 0.000 0.242 242 G HA3 -0.237 3.728 3.960 0.009 0.000 0.242 242 G C 0.190 175.063 174.900 -0.044 0.000 0.982 242 G CA -0.011 45.082 45.100 -0.011 0.000 0.662 242 G HN 0.086 nan 8.290 nan 0.000 0.527 243 V N 1.695 121.563 119.914 -0.077 0.000 2.508 243 V HA 0.300 4.425 4.120 0.009 0.000 0.281 243 V C 0.424 176.338 176.094 -0.301 0.000 1.041 243 V CA -0.515 61.735 62.300 -0.083 0.000 1.016 243 V CB 1.175 33.028 31.823 0.051 0.000 0.984 243 V HN 0.282 nan 8.190 nan 0.000 0.478 244 D N 4.210 124.539 120.400 -0.118 0.000 2.302 244 D HA 0.375 5.020 4.640 0.009 0.000 0.248 244 D C -0.464 175.907 176.300 0.119 0.000 1.094 244 D CA 0.289 54.232 54.000 -0.095 0.000 0.897 244 D CB 1.087 41.894 40.800 0.011 0.000 1.200 244 D HN 0.405 nan 8.370 nan 0.000 0.429 245 F N 0.901 120.923 119.950 0.119 0.000 2.427 245 F HA 0.330 4.862 4.527 0.009 0.000 0.348 245 F C -0.009 175.875 175.800 0.140 0.000 1.125 245 F CA -1.075 57.027 58.000 0.169 0.000 0.989 245 F CB 1.702 40.926 39.000 0.374 0.000 1.165 245 F HN -0.144 nan 8.300 nan 0.000 0.442 246 V N 4.280 124.273 119.914 0.131 0.000 2.495 246 V HA 0.390 4.515 4.120 0.009 0.000 0.298 246 V C -0.732 175.272 176.094 -0.149 0.000 1.031 246 V CA -0.805 61.495 62.300 -0.000 0.000 0.871 246 V CB 1.814 33.507 31.823 -0.216 0.000 0.988 246 V HN 0.447 nan 8.190 nan 0.000 0.432 247 F N 4.718 124.686 119.950 0.028 0.000 2.449 247 F HA 0.611 5.143 4.527 0.009 0.000 0.342 247 F C 0.127 175.962 175.800 0.059 0.000 1.127 247 F CA -0.642 57.414 58.000 0.095 0.000 0.975 247 F CB 1.526 40.595 39.000 0.115 0.000 1.146 247 F HN 0.238 nan 8.300 nan 0.000 0.444 248 I N 3.883 124.478 120.570 0.041 0.000 2.359 248 I HA 0.348 4.523 4.170 0.009 0.000 0.284 248 I C -1.008 175.184 176.117 0.125 0.000 1.018 248 I CA -0.222 61.018 61.300 -0.100 0.000 1.173 248 I CB 1.084 38.630 38.000 -0.756 0.000 1.326 248 I HN 0.468 nan 8.210 nan 0.000 0.462 249 D N 8.071 128.648 120.400 0.295 0.000 2.878 249 D HA 0.210 4.856 4.640 0.009 0.000 0.211 249 D C -2.391 174.161 176.300 0.421 0.000 1.271 249 D CA -1.464 52.744 54.000 0.346 0.000 0.845 249 D CB 3.169 44.185 40.800 0.360 0.000 1.679 249 D HN 0.011 nan 8.370 nan 0.000 0.536 250 P HA -0.121 nan 4.420 nan 0.000 0.217 250 P C -0.012 177.570 177.300 0.469 0.000 1.151 250 P CA 1.224 64.489 63.100 0.274 0.000 0.849 250 P CB 0.009 31.828 31.700 0.198 0.000 0.787 251 H N -1.047 118.208 119.070 0.308 0.000 2.457 251 H HA 0.336 4.897 4.556 0.009 0.000 0.335 251 H C -0.250 175.065 175.328 -0.022 0.000 1.115 251 H CA -1.100 55.029 56.048 0.135 0.000 1.219 251 H CB 0.689 30.381 29.762 -0.116 0.000 1.471 251 H HN -0.152 nan 8.280 nan 0.000 0.491 252 M N 6.110 125.185 119.600 -0.875 0.000 2.869 252 M HA -0.019 4.467 4.480 0.009 0.000 0.299 252 M C -0.366 175.085 176.300 -1.415 0.000 1.508 252 M CA -0.362 53.946 55.300 -1.655 0.000 1.551 252 M CB -0.838 30.502 32.600 -2.100 0.000 1.384 252 M HN 0.662 nan 8.290 nan 0.000 0.491 253 N N 1.796 119.889 118.700 -1.012 0.000 2.260 253 N HA -0.076 4.669 4.740 0.009 0.000 0.230 253 N C 0.668 175.712 175.510 -0.776 0.000 1.323 253 N CA 0.216 52.751 53.050 -0.859 0.000 0.897 253 N CB 0.292 38.575 38.487 -0.340 0.000 1.146 253 N HN 0.424 nan 8.380 nan 0.000 0.460 254 H N -0.921 117.953 119.070 -0.327 0.000 2.387 254 H HA -0.081 4.480 4.556 0.009 0.000 0.299 254 H C 1.326 176.446 175.328 -0.346 0.000 1.090 254 H CA 1.994 57.872 56.048 -0.283 0.000 1.332 254 H CB -0.606 29.061 29.762 -0.158 0.000 1.386 254 H HN 0.644 nan 8.280 nan 0.000 0.516 255 T N 0.924 115.303 114.554 -0.291 0.000 2.777 255 T HA -0.047 4.308 4.350 0.009 0.000 0.266 255 T C 2.388 176.597 174.700 -0.817 0.000 1.040 255 T CA 1.173 63.028 62.100 -0.408 0.000 1.141 255 T CB -0.362 68.315 68.868 -0.319 0.000 0.868 255 T HN 0.452 nan 8.240 nan 0.000 0.444 256 A N 1.998 124.065 122.820 -1.256 0.000 1.902 256 A HA -0.132 4.193 4.320 0.009 0.000 0.217 256 A C 2.340 179.427 177.584 -0.828 0.000 1.181 256 A CA 1.379 52.443 52.037 -1.622 0.000 0.623 256 A CB -0.522 17.672 19.000 -1.344 0.000 0.818 256 A HN 0.424 nan 8.150 nan 0.000 0.443 257 R N -1.344 118.773 120.500 -0.638 0.000 2.193 257 R HA -0.074 4.272 4.340 0.009 0.000 0.229 257 R C 1.916 178.043 176.300 -0.289 0.000 1.110 257 R CA 1.323 57.169 56.100 -0.424 0.000 0.988 257 R CB -0.344 29.753 30.300 -0.339 0.000 0.871 257 R HN 0.523 nan 8.270 nan 0.000 0.458 258 L N -0.312 120.734 121.223 -0.294 0.000 2.221 258 L HA 0.003 4.348 4.340 0.009 0.000 0.202 258 L C 1.399 178.193 176.870 -0.127 0.000 1.074 258 L CA 0.987 55.716 54.840 -0.185 0.000 0.795 258 L CB 0.737 42.698 42.059 -0.163 0.000 0.960 258 L HN 0.013 nan 8.230 nan 0.000 0.458 259 V N -3.474 116.358 119.914 -0.138 0.000 3.261 259 V HA 0.624 4.750 4.120 0.009 0.000 0.330 259 V C 0.609 176.817 176.094 0.190 0.000 1.461 259 V CA -0.221 62.121 62.300 0.071 0.000 1.127 259 V CB -0.665 31.328 31.823 0.283 0.000 1.044 259 V HN 0.205 nan 8.190 nan 0.000 0.499 260 A N 0.481 123.275 122.820 -0.043 0.000 2.477 260 A HA 0.414 4.740 4.320 0.009 0.000 0.246 260 A C 0.901 178.602 177.584 0.196 0.000 1.078 260 A CA 0.492 52.617 52.037 0.147 0.000 0.770 260 A CB 0.137 19.053 19.000 -0.140 0.000 1.011 260 A HN 0.436 nan 8.150 nan 0.000 0.494 261 D N 0.033 120.604 120.400 0.286 0.000 2.327 261 D HA 0.122 4.768 4.640 0.009 0.000 0.205 261 D C 0.207 176.614 176.300 0.179 0.000 0.989 261 D CA 1.133 55.236 54.000 0.172 0.000 0.873 261 D CB 0.405 41.285 40.800 0.133 0.000 0.955 261 D HN 0.491 nan 8.370 nan 0.000 0.515 262 K N -0.450 120.094 120.400 0.240 0.000 2.572 262 K HA 0.264 4.590 4.320 0.009 0.000 0.263 262 K C -2.387 174.419 176.600 0.344 0.000 0.932 262 K CA -0.703 55.733 56.287 0.250 0.000 0.838 262 K CB 1.407 34.018 32.500 0.184 0.000 1.366 262 K HN -0.123 nan 8.250 nan 0.000 0.425 263 W N 6.136 127.543 121.300 0.178 0.000 2.739 263 W HA 0.664 5.329 4.660 0.009 0.000 0.331 263 W C -1.850 174.912 176.519 0.406 0.000 1.049 263 W CA -1.025 56.433 57.345 0.189 0.000 1.234 263 W CB 0.944 30.452 29.460 0.079 0.000 1.404 263 W HN 0.319 nan 8.180 nan 0.000 0.477 264 F N 4.083 123.806 119.950 -0.378 0.000 2.469 264 F HA 0.441 4.972 4.527 0.007 0.000 0.332 264 F C 0.347 175.659 175.800 -0.814 0.000 1.103 264 F CA -1.727 55.951 58.000 -0.538 0.000 0.979 264 F CB 1.996 40.829 39.000 -0.278 0.000 1.137 264 F HN 0.265 nan 8.300 nan 0.000 0.463 265 S N 5.710 121.018 115.700 -0.654 0.000 2.269 265 S HA 0.409 4.885 4.470 0.009 0.000 0.194 265 S C -2.762 171.723 174.600 -0.191 0.000 1.547 265 S CA -1.484 56.444 58.200 -0.452 0.000 1.186 265 S CB 0.026 62.808 63.200 -0.697 0.000 1.069 265 S HN 0.273 nan 8.310 nan 0.000 0.473 266 P HA 0.201 nan 4.420 nan 0.000 0.275 266 P C -0.602 176.700 177.300 0.003 0.000 1.228 266 P CA -0.437 62.654 63.100 -0.015 0.000 0.786 266 P CB 0.689 32.444 31.700 0.092 0.000 0.927 267 K N 2.173 122.559 120.400 -0.023 0.000 2.414 267 K HA 0.121 4.447 4.320 0.009 0.000 0.272 267 K C 0.884 177.473 176.600 -0.018 0.000 0.993 267 K CA -0.338 55.935 56.287 -0.024 0.000 0.964 267 K CB -0.021 32.451 32.500 -0.046 0.000 0.925 267 K HN 0.511 nan 8.250 nan 0.000 0.487 268 I N -1.079 119.473 120.570 -0.030 0.000 2.919 268 I HA -0.023 4.153 4.170 0.009 0.000 0.303 268 I C 0.944 176.949 176.117 -0.188 0.000 1.221 268 I CA 0.591 61.847 61.300 -0.075 0.000 1.444 268 I CB -0.232 37.730 38.000 -0.063 0.000 1.331 268 I HN 0.862 nan 8.210 nan 0.000 0.572 269 G N 3.493 112.005 108.800 -0.480 0.000 2.198 269 G HA2 -0.283 3.683 3.960 0.009 0.000 0.260 269 G HA3 -0.283 3.683 3.960 0.009 0.000 0.260 269 G C 0.473 175.151 174.900 -0.370 0.000 1.025 269 G CA 0.542 45.052 45.100 -0.983 0.000 0.769 269 G HN 1.412 nan 8.290 nan 0.000 0.507 270 T N -3.968 110.555 114.554 -0.051 0.000 3.170 270 T HA 0.293 4.648 4.350 0.009 0.000 0.288 270 T C 1.178 176.164 174.700 0.477 0.000 0.992 270 T CA 0.757 63.014 62.100 0.261 0.000 0.909 270 T CB 0.411 69.344 68.868 0.107 0.000 1.133 270 T HN 0.141 nan 8.240 nan 0.000 0.530 271 D N 2.591 123.388 120.400 0.661 0.000 2.123 271 D HA -0.188 4.457 4.640 0.009 0.000 0.196 271 D C 1.983 178.810 176.300 0.877 0.000 0.992 271 D CA 1.793 56.294 54.000 0.836 0.000 0.833 271 D CB -0.178 41.154 40.800 0.887 0.000 0.954 271 D HN 0.709 nan 8.370 nan 0.000 0.455 272 H N 0.681 120.149 119.070 0.663 0.000 2.518 272 H HA 0.122 4.683 4.556 0.009 0.000 0.289 272 H C 1.819 177.601 175.328 0.757 0.000 1.051 272 H CA 0.998 57.416 56.048 0.615 0.000 1.280 272 H CB -0.682 29.474 29.762 0.658 0.000 1.380 272 H HN 0.066 nan 8.280 nan 0.000 0.566 273 A N 2.067 125.159 122.820 0.453 0.000 1.898 273 A HA 0.009 4.334 4.320 0.009 0.000 0.216 273 A C 2.763 180.526 177.584 0.300 0.000 1.181 273 A CA 1.049 53.140 52.037 0.090 0.000 0.620 273 A CB -0.720 17.991 19.000 -0.482 0.000 0.819 273 A HN 0.351 nan 8.150 nan 0.000 0.442 274 L N 0.453 121.897 121.223 0.369 0.000 2.027 274 L HA -0.182 4.163 4.340 0.009 0.000 0.206 274 L C 3.073 180.220 176.870 0.461 0.000 1.074 274 L CA 1.795 56.884 54.840 0.415 0.000 0.745 274 L CB -0.801 41.584 42.059 0.544 0.000 0.898 274 L HN 0.629 nan 8.230 nan 0.000 0.433 275 S N -0.281 115.718 115.700 0.498 0.000 2.383 275 S HA -0.198 4.278 4.470 0.009 0.000 0.229 275 S C 1.901 176.548 174.600 0.077 0.000 1.030 275 S CA 1.102 59.423 58.200 0.202 0.000 1.002 275 S CB -0.891 62.275 63.200 -0.057 0.000 0.829 275 S HN 0.301 nan 8.310 nan 0.000 0.467 276 F N 2.202 122.311 119.950 0.266 0.000 2.186 276 F HA 0.134 4.665 4.527 0.008 0.000 0.299 276 F C 2.869 178.704 175.800 0.059 0.000 1.090 276 F CA 0.731 58.819 58.000 0.146 0.000 1.307 276 F CB -0.483 38.590 39.000 0.120 0.000 1.019 276 F HN 0.315 nan 8.300 nan 0.000 0.489 277 A N 0.230 123.238 122.820 0.313 0.000 1.930 277 A HA -0.119 4.206 4.320 0.009 0.000 0.217 277 A C 2.138 179.774 177.584 0.087 0.000 1.175 277 A CA 1.345 53.501 52.037 0.198 0.000 0.627 277 A CB -0.925 18.193 19.000 0.197 0.000 0.815 277 A HN 0.397 nan 8.150 nan 0.000 0.443 278 I N -0.338 120.198 120.570 -0.056 0.000 2.202 278 I HA -0.242 3.933 4.170 0.009 0.000 0.242 278 I C 2.975 178.626 176.117 -0.777 0.000 1.091 278 I CA 1.018 62.049 61.300 -0.447 0.000 1.368 278 I CB -0.363 37.296 38.000 -0.568 0.000 1.058 278 I HN 0.342 nan 8.210 nan 0.000 0.410 279 A N 0.249 122.792 122.820 -0.462 0.000 1.902 279 A HA -0.289 4.036 4.320 0.009 0.000 0.217 279 A C 2.299 179.852 177.584 -0.052 0.000 1.181 279 A CA 1.589 53.504 52.037 -0.204 0.000 0.623 279 A CB -1.066 18.012 19.000 0.131 0.000 0.818 279 A HN 0.529 nan 8.150 nan 0.000 0.443 280 Y N 1.331 121.548 120.300 -0.138 0.000 2.097 280 Y HA -0.245 4.312 4.550 0.011 0.000 0.282 280 Y C 2.654 178.535 175.900 -0.031 0.000 1.152 280 Y CA 2.550 60.586 58.100 -0.106 0.000 1.136 280 Y CB -0.889 37.502 38.460 -0.116 0.000 0.975 280 Y HN 0.306 nan 8.280 nan 0.000 0.498 281 T N 0.077 114.637 114.554 0.010 0.000 2.699 281 T HA -0.240 4.116 4.350 0.009 0.000 0.268 281 T C 1.446 176.228 174.700 0.136 0.000 1.036 281 T CA 1.781 63.892 62.100 0.018 0.000 1.147 281 T CB -0.564 68.357 68.868 0.089 0.000 0.862 281 T HN 0.494 nan 8.240 nan 0.000 0.446 282 W N 1.253 122.554 121.300 0.001 0.000 2.363 282 W HA 0.154 4.819 4.660 0.009 0.000 0.296 282 W C 2.077 178.655 176.519 0.097 0.000 1.212 282 W CA -0.042 57.337 57.345 0.057 0.000 1.260 282 W CB -1.366 28.107 29.460 0.021 0.000 1.131 282 W HN 0.286 nan 8.180 nan 0.000 0.530 283 L N 0.132 121.466 121.223 0.186 0.000 2.056 283 L HA -0.172 4.173 4.340 0.009 0.000 0.207 283 L C 2.525 179.419 176.870 0.039 0.000 1.078 283 L CA 1.101 56.018 54.840 0.129 0.000 0.749 283 L CB -0.762 41.278 42.059 -0.031 0.000 0.901 283 L HN -0.218 nan 8.230 nan 0.000 0.433 284 K N 0.384 120.694 120.400 -0.150 0.000 2.211 284 K HA -0.094 4.231 4.320 0.009 0.000 0.203 284 K C 1.260 177.844 176.600 -0.025 0.000 1.050 284 K CA 1.125 57.309 56.287 -0.172 0.000 0.945 284 K CB 0.031 32.306 32.500 -0.373 0.000 0.732 284 K HN 0.431 nan 8.250 nan 0.000 0.451 285 E N 0.274 120.507 120.200 0.055 0.000 2.548 285 E HA 0.023 4.379 4.350 0.009 0.000 0.206 285 E C -0.967 175.693 176.600 0.101 0.000 1.005 285 E CA -0.150 56.300 56.400 0.083 0.000 0.951 285 E CB 0.317 30.085 29.700 0.114 0.000 1.035 285 E HN 0.179 nan 8.360 nan 0.000 0.470 286 D N 0.938 121.424 120.400 0.142 0.000 2.702 286 D HA -0.170 4.475 4.640 0.009 0.000 0.233 286 D C -0.399 175.926 176.300 0.041 0.000 1.164 286 D CA 1.085 55.145 54.000 0.100 0.000 0.638 286 D CB -1.042 39.756 40.800 -0.003 0.000 1.041 286 D HN 0.188 nan 8.370 nan 0.000 0.422 287 S N 0.013 115.810 115.700 0.163 0.000 3.208 287 S HA 0.475 4.950 4.470 0.009 0.000 0.195 287 S C -0.243 174.287 174.600 -0.116 0.000 1.394 287 S CA -0.866 57.338 58.200 0.006 0.000 1.127 287 S CB -0.293 62.928 63.200 0.035 0.000 1.282 287 S HN 0.477 nan 8.310 nan 0.000 0.513 288 Y N -2.427 117.728 120.300 -0.242 0.000 2.689 288 Y HA 0.608 5.164 4.550 0.010 0.000 0.333 288 Y C -1.183 174.599 175.900 -0.195 0.000 1.208 288 Y CA -1.510 56.398 58.100 -0.319 0.000 1.055 288 Y CB 0.281 38.608 38.460 -0.222 0.000 1.304 288 Y HN 0.098 nan 8.280 nan 0.000 0.455 289 D N 1.969 122.290 120.400 -0.132 0.000 2.498 289 D HA 0.147 4.793 4.640 0.009 0.000 0.229 289 D C 0.407 176.623 176.300 -0.141 0.000 1.188 289 D CA 0.251 54.158 54.000 -0.156 0.000 1.028 289 D CB 0.534 41.261 40.800 -0.121 0.000 1.087 289 D HN 0.713 nan 8.370 nan 0.000 0.510 290 K N 1.585 121.762 120.400 -0.372 0.000 2.057 290 K HA -0.184 4.142 4.320 0.009 0.000 0.207 290 K C 1.475 178.008 176.600 -0.112 0.000 1.049 290 K CA 1.095 57.198 56.287 -0.306 0.000 0.931 290 K CB 0.316 32.590 32.500 -0.378 0.000 0.714 290 K HN 0.229 nan 8.250 nan 0.000 0.440 291 E N 0.282 120.430 120.200 -0.086 0.000 2.038 291 E HA -0.219 4.136 4.350 0.009 0.000 0.195 291 E C 1.756 178.346 176.600 -0.015 0.000 1.000 291 E CA 1.353 57.724 56.400 -0.048 0.000 0.803 291 E CB -0.454 29.220 29.700 -0.043 0.000 0.750 291 E HN 0.343 nan 8.360 nan 0.000 0.448 292 Y N 0.706 120.938 120.300 -0.113 0.000 2.097 292 Y HA -0.285 4.270 4.550 0.009 0.000 0.282 292 Y C 2.178 178.019 175.900 -0.098 0.000 1.152 292 Y CA 1.583 59.618 58.100 -0.107 0.000 1.136 292 Y CB -0.264 38.147 38.460 -0.082 0.000 0.975 292 Y HN -0.112 nan 8.280 nan 0.000 0.498 293 V N 0.378 120.388 119.914 0.161 0.000 2.332 293 V HA -0.366 3.759 4.120 0.009 0.000 0.248 293 V C 2.614 178.649 176.094 -0.099 0.000 1.055 293 V CA 1.845 64.126 62.300 -0.032 0.000 1.038 293 V CB -1.555 30.102 31.823 -0.276 0.000 0.651 293 V HN 0.596 nan 8.190 nan 0.000 0.450 294 A N -0.508 122.268 122.820 -0.073 0.000 2.019 294 A HA -0.017 4.308 4.320 0.009 0.000 0.219 294 A C 2.232 179.788 177.584 -0.046 0.000 1.164 294 A CA 2.071 54.083 52.037 -0.042 0.000 0.644 294 A CB -0.418 18.562 19.000 -0.033 0.000 0.805 294 A HN 0.604 nan 8.150 nan 0.000 0.449 295 A N -1.267 121.490 122.820 -0.106 0.000 2.140 295 A HA 0.138 4.463 4.320 0.009 0.000 0.209 295 A C 1.388 178.861 177.584 -0.185 0.000 1.181 295 A CA 0.657 52.608 52.037 -0.143 0.000 0.824 295 A CB 0.092 18.972 19.000 -0.200 0.000 0.879 295 A HN 0.435 nan 8.150 nan 0.000 0.480 296 N N -0.200 118.359 118.700 -0.235 0.000 2.184 296 N HA 0.335 5.080 4.740 0.009 0.000 0.206 296 N C 0.039 175.649 175.510 0.165 0.000 1.151 296 N CA 0.686 53.635 53.050 -0.168 0.000 0.878 296 N CB 0.907 39.015 38.487 -0.633 0.000 1.014 296 N HN 0.403 nan 8.380 nan 0.000 0.512 297 A N 0.125 123.044 122.820 0.166 0.000 2.337 297 A HA 0.609 4.934 4.320 0.009 0.000 0.331 297 A C -1.179 176.613 177.584 0.346 0.000 1.137 297 A CA -0.377 51.858 52.037 0.329 0.000 0.807 297 A CB 1.225 20.358 19.000 0.222 0.000 1.250 297 A HN 0.314 nan 8.150 nan 0.000 0.468 298 H N -0.627 118.647 119.070 0.339 0.000 2.667 298 H HA 0.504 5.066 4.556 0.009 0.000 0.353 298 H C 0.637 176.151 175.328 0.310 0.000 1.072 298 H CA 0.448 56.653 56.048 0.262 0.000 1.214 298 H CB 1.414 31.303 29.762 0.211 0.000 1.600 298 H HN 1.671 nan 8.280 nan 0.000 0.527 299 G N 3.669 112.282 108.800 -0.310 0.000 2.160 299 G HA2 -0.364 3.601 3.960 0.009 0.000 0.251 299 G HA3 -0.364 3.601 3.960 0.009 0.000 0.251 299 G C 0.655 175.585 174.900 0.050 0.000 1.008 299 G CA 0.593 45.587 45.100 -0.178 0.000 0.724 299 G HN 0.612 nan 8.290 nan 0.000 0.514 300 F N 0.802 120.694 119.950 -0.098 0.000 2.206 300 F HA 0.135 4.666 4.527 0.008 0.000 0.298 300 F C 2.353 178.151 175.800 -0.003 0.000 1.090 300 F CA 2.109 59.979 58.000 -0.216 0.000 1.323 300 F CB 0.127 38.928 39.000 -0.331 0.000 1.028 300 F HN 0.275 nan 8.300 nan 0.000 0.492 301 E N 0.584 120.855 120.200 0.118 0.000 2.058 301 E HA -0.225 4.131 4.350 0.009 0.000 0.194 301 E C 1.951 178.546 176.600 -0.008 0.000 0.997 301 E CA 1.905 58.348 56.400 0.072 0.000 0.801 301 E CB -0.411 29.341 29.700 0.087 0.000 0.746 301 E HN 0.432 nan 8.360 nan 0.000 0.450 302 E N -0.354 119.856 120.200 0.016 0.000 2.077 302 E HA -0.180 4.175 4.350 0.009 0.000 0.193 302 E C 1.652 178.280 176.600 0.046 0.000 0.989 302 E CA 1.107 57.524 56.400 0.029 0.000 0.800 302 E CB -0.384 29.344 29.700 0.046 0.000 0.746 302 E HN 0.355 nan 8.360 nan 0.000 0.452 303 W N 1.384 122.583 121.300 -0.167 0.000 2.355 303 W HA -0.174 4.490 4.660 0.007 0.000 0.309 303 W C 2.375 178.776 176.519 -0.196 0.000 1.206 303 W CA 2.181 59.435 57.345 -0.151 0.000 1.284 303 W CB -0.526 28.790 29.460 -0.240 0.000 1.145 303 W HN 0.075 nan 8.180 nan 0.000 0.502 304 A N 0.072 122.679 122.820 -0.354 0.000 1.908 304 A HA -0.251 4.074 4.320 0.009 0.000 0.218 304 A C 1.772 179.191 177.584 -0.276 0.000 1.181 304 A CA 2.182 53.969 52.037 -0.416 0.000 0.627 304 A CB -1.063 17.765 19.000 -0.287 0.000 0.818 304 A HN 0.313 nan 8.150 nan 0.000 0.445 305 D N -1.792 118.511 120.400 -0.162 0.000 2.149 305 D HA -0.164 4.481 4.640 0.009 0.000 0.198 305 D C 1.640 177.841 176.300 -0.164 0.000 0.990 305 D CA 1.591 55.519 54.000 -0.120 0.000 0.839 305 D CB -0.358 40.408 40.800 -0.056 0.000 0.948 305 D HN 0.646 nan 8.370 nan 0.000 0.460 306 Y N 1.645 121.762 120.300 -0.305 0.000 2.133 306 Y HA -0.202 4.354 4.550 0.009 0.000 0.287 306 Y C 2.263 177.871 175.900 -0.487 0.000 1.134 306 Y CA 1.079 58.960 58.100 -0.366 0.000 1.133 306 Y CB -0.477 37.761 38.460 -0.369 0.000 0.987 306 Y HN -0.227 nan 8.280 nan 0.000 0.502 307 V N 0.977 120.510 119.914 -0.634 0.000 2.324 307 V HA -0.345 3.780 4.120 0.009 0.000 0.250 307 V C 2.355 178.183 176.094 -0.443 0.000 1.060 307 V CA 2.175 64.085 62.300 -0.649 0.000 1.042 307 V CB -0.872 30.576 31.823 -0.626 0.000 0.650 307 V HN 0.455 nan 8.190 nan 0.000 0.450 308 L N 0.338 121.383 121.223 -0.296 0.000 2.622 308 L HA 0.169 4.514 4.340 0.009 0.000 0.233 308 L C 1.811 178.543 176.870 -0.230 0.000 1.156 308 L CA 0.858 55.624 54.840 -0.123 0.000 0.866 308 L CB -0.808 41.188 42.059 -0.104 0.000 0.980 308 L HN 0.588 nan 8.230 nan 0.000 0.448 309 G N 0.110 108.652 108.800 -0.429 0.000 2.155 309 G HA2 -0.333 3.632 3.960 0.009 0.000 0.257 309 G HA3 -0.333 3.632 3.960 0.009 0.000 0.257 309 G C 1.007 175.743 174.900 -0.274 0.000 0.983 309 G CA 0.715 45.547 45.100 -0.445 0.000 0.676 309 G HN 0.391 nan 8.290 nan 0.000 0.528 310 K N -0.312 119.966 120.400 -0.203 0.000 2.025 310 K HA -0.049 4.276 4.320 0.009 0.000 0.207 310 K C 2.852 179.390 176.600 -0.103 0.000 1.049 310 K CA 1.952 58.164 56.287 -0.125 0.000 0.933 310 K CB -0.335 32.111 32.500 -0.089 0.000 0.714 310 K HN 0.573 nan 8.250 nan 0.000 0.438 311 T N -0.066 114.433 114.554 -0.091 0.000 2.985 311 T HA -0.084 4.271 4.350 0.009 0.000 0.266 311 T C 1.379 176.056 174.700 -0.039 0.000 1.076 311 T CA 1.286 63.362 62.100 -0.039 0.000 1.135 311 T CB -0.119 68.760 68.868 0.018 0.000 0.890 311 T HN 0.241 nan 8.240 nan 0.000 0.480 312 D N 0.245 120.588 120.400 -0.095 0.000 2.407 312 D HA 0.246 4.891 4.640 0.009 0.000 0.208 312 D C 1.654 177.870 176.300 -0.139 0.000 1.083 312 D CA 0.559 54.506 54.000 -0.089 0.000 0.844 312 D CB -0.464 40.293 40.800 -0.071 0.000 0.967 312 D HN 0.557 nan 8.370 nan 0.000 0.506 313 G N -0.306 108.388 108.800 -0.177 0.000 2.176 313 G HA2 -0.218 3.747 3.960 0.009 0.000 0.253 313 G HA3 -0.218 3.747 3.960 0.009 0.000 0.253 313 G C 0.166 174.930 174.900 -0.228 0.000 0.979 313 G CA 0.420 45.421 45.100 -0.165 0.000 0.641 313 G HN 0.434 nan 8.290 nan 0.000 0.530 314 T N 2.616 116.960 114.554 -0.351 0.000 2.991 314 T HA 0.527 4.882 4.350 0.009 0.000 0.347 314 T C -2.710 171.580 174.700 -0.682 0.000 1.122 314 T CA -0.954 60.864 62.100 -0.470 0.000 1.062 314 T CB 2.495 71.069 68.868 -0.491 0.000 1.043 314 T HN 0.038 nan 8.240 nan 0.000 0.491 315 P HA 0.115 nan 4.420 nan 0.000 0.267 315 P C -0.059 176.668 177.300 -0.955 0.000 1.205 315 P CA -0.486 62.249 63.100 -0.608 0.000 0.765 315 P CB 0.483 31.956 31.700 -0.379 0.000 0.828 316 K N 2.546 122.297 120.400 -1.081 0.000 2.480 316 K HA 0.107 4.432 4.320 0.009 0.000 0.241 316 K C 0.636 176.701 176.600 -0.891 0.000 1.261 316 K CA 0.165 55.742 56.287 -1.183 0.000 1.193 316 K CB -1.287 30.648 32.500 -0.943 0.000 1.598 316 K HN 0.482 nan 8.250 nan 0.000 0.278 317 T N -3.242 110.822 114.554 -0.815 0.000 2.766 317 T HA 0.039 4.394 4.350 0.009 0.000 0.295 317 T C 1.661 176.322 174.700 -0.064 0.000 1.024 317 T CA -0.602 61.144 62.100 -0.591 0.000 1.018 317 T CB 0.877 69.527 68.868 -0.363 0.000 1.002 317 T HN 0.401 nan 8.240 nan 0.000 0.532 318 C N 0.921 120.222 119.300 0.002 0.000 2.440 318 C HA 0.005 4.470 4.460 0.009 0.000 0.278 318 C C 2.811 177.804 174.990 0.004 0.000 1.295 318 C CA 0.633 59.679 59.018 0.045 0.000 1.738 318 C CB -1.453 26.322 27.740 0.058 0.000 1.987 318 C HN 0.997 nan 8.230 nan 0.000 0.492 319 E N -0.303 119.896 120.200 -0.002 0.000 2.110 319 E HA -0.209 4.147 4.350 0.009 0.000 0.193 319 E C 1.649 178.232 176.600 -0.028 0.000 0.988 319 E CA 1.227 57.613 56.400 -0.024 0.000 0.804 319 E CB -0.348 29.343 29.700 -0.015 0.000 0.745 319 E HN 0.861 nan 8.360 nan 0.000 0.458 320 W N 1.244 122.431 121.300 -0.187 0.000 2.358 320 W HA -0.137 4.527 4.660 0.008 0.000 0.303 320 W C 2.166 178.562 176.519 -0.204 0.000 1.208 320 W CA 2.040 59.258 57.345 -0.212 0.000 1.274 320 W CB -0.364 28.921 29.460 -0.293 0.000 1.138 320 W HN 0.036 nan 8.180 nan 0.000 0.515 321 A N 0.124 122.755 122.820 -0.315 0.000 1.969 321 A HA -0.204 4.121 4.320 0.009 0.000 0.218 321 A C 2.012 179.358 177.584 -0.396 0.000 1.169 321 A CA 1.777 53.480 52.037 -0.557 0.000 0.635 321 A CB -0.981 17.939 19.000 -0.133 0.000 0.810 321 A HN 0.558 nan 8.150 nan 0.000 0.445 322 E N -0.176 119.872 120.200 -0.253 0.000 2.051 322 E HA -0.244 4.112 4.350 0.009 0.000 0.192 322 E C 1.954 178.412 176.600 -0.236 0.000 0.991 322 E CA 1.311 57.584 56.400 -0.213 0.000 0.799 322 E CB -0.186 29.421 29.700 -0.155 0.000 0.748 322 E HN 0.727 nan 8.360 nan 0.000 0.449 323 E N -0.286 119.759 120.200 -0.258 0.000 2.204 323 E HA -0.197 4.158 4.350 0.009 0.000 0.195 323 E C 1.798 178.230 176.600 -0.280 0.000 0.990 323 E CA 0.915 57.174 56.400 -0.236 0.000 0.821 323 E CB 0.225 29.802 29.700 -0.205 0.000 0.750 323 E HN 0.246 nan 8.360 nan 0.000 0.477 324 E N -0.495 119.457 120.200 -0.414 0.000 2.102 324 E HA -0.060 4.296 4.350 0.009 0.000 0.190 324 E C 2.081 178.556 176.600 -0.209 0.000 0.971 324 E CA 1.199 57.389 56.400 -0.350 0.000 0.821 324 E CB 0.265 29.611 29.700 -0.591 0.000 0.777 324 E HN 0.243 nan 8.360 nan 0.000 0.460 325 S N -1.542 114.029 115.700 -0.215 0.000 2.502 325 S HA 0.264 4.739 4.470 0.009 0.000 0.215 325 S C 1.650 176.166 174.600 -0.139 0.000 1.009 325 S CA 0.733 58.854 58.200 -0.131 0.000 0.908 325 S CB 0.938 64.083 63.200 -0.092 0.000 0.801 325 S HN 0.269 nan 8.310 nan 0.000 0.505 326 G N 0.815 109.515 108.800 -0.166 0.000 2.225 326 G HA2 -0.247 3.718 3.960 0.009 0.000 0.254 326 G HA3 -0.247 3.718 3.960 0.009 0.000 0.254 326 G C 0.074 174.852 174.900 -0.204 0.000 0.988 326 G CA 0.051 45.053 45.100 -0.163 0.000 0.625 326 G HN 0.747 nan 8.290 nan 0.000 0.527 327 V N 2.594 122.366 119.914 -0.237 0.000 2.508 327 V HA 0.377 4.502 4.120 0.009 0.000 0.281 327 V C -1.474 174.430 176.094 -0.316 0.000 1.041 327 V CA -1.233 60.859 62.300 -0.347 0.000 1.016 327 V CB 1.193 32.771 31.823 -0.408 0.000 0.984 327 V HN 0.118 nan 8.190 nan 0.000 0.478 328 P HA 0.018 nan 4.420 nan 0.000 0.261 328 P C 0.643 177.825 177.300 -0.197 0.000 1.183 328 P CA 0.407 63.369 63.100 -0.230 0.000 0.761 328 P CB 0.678 32.252 31.700 -0.211 0.000 0.785 329 A N 4.126 126.873 122.820 -0.121 0.000 1.892 329 A HA -0.289 4.037 4.320 0.009 0.000 0.218 329 A C 2.244 179.811 177.584 -0.029 0.000 1.188 329 A CA 2.246 54.243 52.037 -0.066 0.000 0.631 329 A CB -1.882 17.094 19.000 -0.040 0.000 0.822 329 A HN 0.752 nan 8.150 nan 0.000 0.447 330 C N -0.659 118.625 119.300 -0.026 0.000 2.413 330 C HA -0.104 4.361 4.460 0.009 0.000 0.276 330 C C 2.283 177.292 174.990 0.032 0.000 1.248 330 C CA 1.181 60.206 59.018 0.013 0.000 1.742 330 C CB -1.644 26.101 27.740 0.009 0.000 2.017 330 C HN 0.661 nan 8.230 nan 0.000 0.481 331 E N 1.150 121.333 120.200 -0.029 0.000 2.150 331 E HA -0.080 4.275 4.350 0.009 0.000 0.193 331 E C 2.131 178.820 176.600 0.148 0.000 0.985 331 E CA 1.379 57.791 56.400 0.020 0.000 0.814 331 E CB -0.218 29.349 29.700 -0.223 0.000 0.752 331 E HN 0.754 nan 8.360 nan 0.000 0.466 332 I N 0.740 121.328 120.570 0.031 0.000 2.202 332 I HA -0.243 3.932 4.170 0.009 0.000 0.242 332 I C 2.762 179.000 176.117 0.202 0.000 1.091 332 I CA 0.953 62.352 61.300 0.166 0.000 1.368 332 I CB -0.248 37.794 38.000 0.069 0.000 1.058 332 I HN 0.003 nan 8.210 nan 0.000 0.410 333 R N 1.271 121.857 120.500 0.144 0.000 2.073 333 R HA -0.191 4.154 4.340 0.009 0.000 0.234 333 R C 2.428 178.847 176.300 0.199 0.000 1.134 333 R CA 1.681 57.875 56.100 0.158 0.000 0.952 333 R CB -0.307 30.070 30.300 0.127 0.000 0.850 333 R HN 0.357 nan 8.270 nan 0.000 0.433 334 A N 1.237 124.173 122.820 0.193 0.000 1.873 334 A HA -0.226 4.099 4.320 0.009 0.000 0.218 334 A C 2.057 179.798 177.584 0.261 0.000 1.193 334 A CA 1.679 53.840 52.037 0.206 0.000 0.629 334 A CB -0.845 18.269 19.000 0.189 0.000 0.826 334 A HN 0.415 nan 8.150 nan 0.000 0.447 335 L N -0.300 121.110 121.223 0.311 0.000 2.042 335 L HA -0.078 4.267 4.340 0.009 0.000 0.210 335 L C 2.647 179.803 176.870 0.475 0.000 1.076 335 L CA 2.318 57.366 54.840 0.346 0.000 0.749 335 L CB -0.954 41.305 42.059 0.333 0.000 0.893 335 L HN 0.371 nan 8.230 nan 0.000 0.432 336 A N -0.332 122.733 122.820 0.409 0.000 1.877 336 A HA -0.230 4.095 4.320 0.009 0.000 0.216 336 A C 2.448 180.430 177.584 0.663 0.000 1.186 336 A CA 1.926 54.226 52.037 0.439 0.000 0.620 336 A CB -0.559 18.509 19.000 0.113 0.000 0.822 336 A HN 0.516 nan 8.150 nan 0.000 0.443 337 R N -1.353 119.407 120.500 0.434 0.000 2.092 337 R HA -0.137 4.209 4.340 0.009 0.000 0.231 337 R C 2.476 178.969 176.300 0.320 0.000 1.119 337 R CA 1.575 57.887 56.100 0.354 0.000 0.970 337 R CB -0.213 30.231 30.300 0.241 0.000 0.864 337 R HN 0.629 nan 8.270 nan 0.000 0.440 338 Q N -0.144 119.851 119.800 0.324 0.000 2.123 338 Q HA -0.157 4.188 4.340 0.009 0.000 0.199 338 Q C 1.590 177.790 176.000 0.333 0.000 0.966 338 Q CA 1.182 57.144 55.803 0.264 0.000 0.845 338 Q CB -0.184 28.684 28.738 0.216 0.000 0.907 338 Q HN 0.378 nan 8.270 nan 0.000 0.439 339 W N 0.464 121.909 121.300 0.242 0.000 2.358 339 W HA -0.076 4.588 4.660 0.006 0.000 0.303 339 W C 1.898 178.489 176.519 0.121 0.000 1.208 339 W CA 2.013 59.514 57.345 0.261 0.000 1.274 339 W CB -0.871 28.895 29.460 0.510 0.000 1.138 339 W HN 0.272 nan 8.180 nan 0.000 0.515 340 A N 1.222 124.259 122.820 0.361 0.000 1.877 340 A HA -0.236 4.089 4.320 0.009 0.000 0.216 340 A C 2.021 179.597 177.584 -0.012 0.000 1.186 340 A CA 2.519 54.500 52.037 -0.093 0.000 0.620 340 A CB -0.867 18.009 19.000 -0.205 0.000 0.822 340 A HN 0.457 nan 8.150 nan 0.000 0.443 341 K N -1.532 118.915 120.400 0.079 0.000 2.426 341 K HA 0.114 4.439 4.320 0.009 0.000 0.193 341 K C 0.015 176.650 176.600 0.058 0.000 1.028 341 K CA 0.220 56.537 56.287 0.051 0.000 1.047 341 K CB 0.218 32.756 32.500 0.064 0.000 0.821 341 K HN 0.070 nan 8.250 nan 0.000 0.513 342 K N 1.456 121.911 120.400 0.091 0.000 2.221 342 K HA 0.242 4.567 4.320 0.009 0.000 0.243 342 K C -0.791 175.842 176.600 0.055 0.000 0.968 342 K CA -0.940 55.392 56.287 0.076 0.000 0.846 342 K CB 1.152 33.706 32.500 0.089 0.000 1.141 342 K HN -0.054 nan 8.250 nan 0.000 0.434 343 N N 1.732 120.458 118.700 0.044 0.000 2.406 343 N HA 0.075 4.820 4.740 0.009 0.000 0.269 343 N C -0.860 174.647 175.510 -0.006 0.000 1.210 343 N CA 0.385 53.436 53.050 0.002 0.000 0.966 343 N CB 0.148 38.678 38.487 0.071 0.000 1.293 343 N HN 0.284 nan 8.380 nan 0.000 0.491 344 T N 2.533 117.034 114.554 -0.088 0.000 2.797 344 T HA 0.354 4.709 4.350 0.009 0.000 0.279 344 T C -0.340 174.213 174.700 -0.245 0.000 0.991 344 T CA -0.353 61.658 62.100 -0.148 0.000 0.979 344 T CB 0.569 69.250 68.868 -0.311 0.000 0.943 344 T HN 0.183 nan 8.240 nan 0.000 0.444 345 Y N 1.949 122.203 120.300 -0.076 0.000 2.341 345 Y HA 0.520 5.076 4.550 0.010 0.000 0.337 345 Y C -0.026 175.784 175.900 -0.151 0.000 1.014 345 Y CA -1.317 56.783 58.100 0.001 0.000 1.111 345 Y CB 1.136 39.686 38.460 0.151 0.000 1.194 345 Y HN 0.413 nan 8.280 nan 0.000 0.462 346 L N 4.043 125.330 121.223 0.107 0.000 2.295 346 L HA 0.574 4.920 4.340 0.009 0.000 0.288 346 L C 0.145 177.033 176.870 0.030 0.000 1.079 346 L CA -0.425 54.459 54.840 0.073 0.000 0.830 346 L CB 0.111 42.367 42.059 0.328 0.000 1.200 346 L HN 0.708 nan 8.230 nan 0.000 0.438 347 A N 5.649 128.370 122.820 -0.165 0.000 3.078 347 A HA 0.681 5.006 4.320 0.009 0.000 0.279 347 A C 0.542 178.173 177.584 0.078 0.000 1.594 347 A CA -0.037 51.867 52.037 -0.222 0.000 1.301 347 A CB -0.753 17.787 19.000 -0.768 0.000 1.162 347 A HN 0.918 nan 8.150 nan 0.000 0.585 348 A N 1.495 124.433 122.820 0.197 0.000 2.347 348 A HA 0.617 4.942 4.320 0.009 0.000 0.287 348 A C 1.073 178.909 177.584 0.421 0.000 1.199 348 A CA 0.544 52.836 52.037 0.426 0.000 0.851 348 A CB -0.648 18.542 19.000 0.317 0.000 1.118 348 A HN 2.527 nan 8.150 nan 0.000 0.525 349 G N 1.528 110.659 108.800 0.551 0.000 2.814 349 G HA2 0.171 4.136 3.960 0.009 0.000 0.677 349 G HA3 0.171 4.136 3.960 0.009 0.000 0.677 349 G C 0.848 175.865 174.900 0.195 0.000 1.429 349 G CA -0.096 45.240 45.100 0.393 0.000 0.868 349 G HN 1.739 nan 8.290 nan 0.000 0.553 350 G N -1.034 107.852 108.800 0.143 0.000 2.623 350 G HA2 0.314 4.280 3.960 0.009 0.000 0.214 350 G HA3 0.314 4.280 3.960 0.009 0.000 0.214 350 G C 1.640 176.516 174.900 -0.041 0.000 1.138 350 G CA 1.592 46.727 45.100 0.058 0.000 0.794 350 G HN 1.283 nan 8.290 nan 0.000 0.535 351 L N -0.221 120.944 121.223 -0.095 0.000 2.515 351 L HA 0.502 4.848 4.340 0.009 0.000 0.223 351 L C 1.106 177.758 176.870 -0.363 0.000 1.079 351 L CA 1.354 56.005 54.840 -0.314 0.000 0.857 351 L CB 0.383 42.024 42.059 -0.696 0.000 1.050 351 L HN 0.278 nan 8.230 nan 0.000 0.476 352 G N -0.578 108.041 108.800 -0.303 0.000 2.859 352 G HA2 0.424 4.389 3.960 0.009 0.000 0.251 352 G HA3 0.424 4.389 3.960 0.009 0.000 0.251 352 G C 0.265 174.852 174.900 -0.521 0.000 0.978 352 G CA -0.295 44.626 45.100 -0.299 0.000 1.270 352 G HN 1.126 nan 8.290 nan 0.000 0.601 353 G N -0.064 108.422 108.800 -0.524 0.000 2.462 353 G HA2 0.457 4.422 3.960 0.009 0.000 0.685 353 G HA3 0.457 4.422 3.960 0.009 0.000 0.685 353 G C 0.336 174.996 174.900 -0.400 0.000 1.295 353 G CA 0.497 44.959 45.100 -1.062 0.000 0.941 353 G HN 2.065 nan 8.290 nan 0.000 0.554 354 W N -2.016 118.971 121.300 -0.523 0.000 3.684 354 W HA 0.335 5.000 4.660 0.009 0.000 0.320 354 W C 1.334 178.115 176.519 0.437 0.000 0.077 354 W CA 2.107 59.455 57.345 0.003 0.000 0.450 354 W CB -1.533 27.788 29.460 -0.232 0.000 0.897 354 W HN 3.095 nan 8.180 nan 0.000 0.437 355 G N -0.868 108.197 108.800 0.440 0.000 3.067 355 G HA2 0.460 4.425 3.960 0.009 0.000 0.686 355 G HA3 0.460 4.425 3.960 0.009 0.000 0.686 355 G C 0.479 175.401 174.900 0.038 0.000 1.119 355 G CA 0.582 45.827 45.100 0.243 0.000 0.790 355 G HN 1.840 nan 8.290 nan 0.000 0.605 356 G N 0.814 109.574 108.800 -0.066 0.000 2.485 356 G HA2 0.174 4.139 3.960 0.009 0.000 0.221 356 G HA3 0.174 4.139 3.960 0.009 0.000 0.221 356 G C 2.038 176.861 174.900 -0.128 0.000 1.115 356 G CA 2.451 47.510 45.100 -0.069 0.000 0.751 356 G HN 2.095 nan 8.290 nan 0.000 0.567 357 A N 0.284 122.881 122.820 -0.371 0.000 2.070 357 A HA -0.092 4.233 4.320 0.009 0.000 0.220 357 A C 2.610 179.934 177.584 -0.433 0.000 1.159 357 A CA 1.859 53.538 52.037 -0.598 0.000 0.656 357 A CB -0.953 17.140 19.000 -1.512 0.000 0.800 357 A HN 0.953 nan 8.150 nan 0.000 0.453 358 C N 0.031 119.256 119.300 -0.125 0.000 2.468 358 C HA 0.169 4.634 4.460 0.009 0.000 0.277 358 C C 1.501 176.554 174.990 0.106 0.000 1.400 358 C CA 0.316 59.435 59.018 0.170 0.000 1.770 358 C CB -1.080 26.958 27.740 0.497 0.000 1.905 358 C HN 0.601 nan 8.230 nan 0.000 0.519 359 R N 1.144 121.685 120.500 0.069 0.000 2.790 359 R HA 0.735 5.080 4.340 0.009 0.000 0.274 359 R C -0.507 175.816 176.300 0.038 0.000 1.334 359 R CA 0.313 56.466 56.100 0.088 0.000 1.543 359 R CB 0.253 30.616 30.300 0.105 0.000 1.154 359 R HN 0.478 nan 8.270 nan 0.000 0.601 360 A N 0.787 123.612 122.820 0.009 0.000 2.581 360 A HA 0.358 4.684 4.320 0.009 0.000 0.290 360 A C 0.561 178.094 177.584 -0.085 0.000 1.119 360 A CA -0.383 51.646 52.037 -0.012 0.000 0.670 360 A CB 1.102 20.165 19.000 0.104 0.000 1.280 360 A HN 0.467 nan 8.150 nan 0.000 0.425 361 S N 0.116 115.624 115.700 -0.320 0.000 2.500 361 S HA -0.168 4.308 4.470 0.009 0.000 0.239 361 S C 0.974 175.419 174.600 -0.258 0.000 0.989 361 S CA 1.824 59.599 58.200 -0.709 0.000 0.951 361 S CB -0.553 61.623 63.200 -1.707 0.000 0.759 361 S HN 1.244 nan 8.310 nan 0.000 0.523 362 H N -1.035 117.877 119.070 -0.264 0.000 2.674 362 H HA 0.460 5.021 4.556 0.008 0.000 0.274 362 H C 1.485 176.726 175.328 -0.144 0.000 1.121 362 H CA -0.053 55.854 56.048 -0.236 0.000 1.132 362 H CB -0.852 28.732 29.762 -0.295 0.000 1.606 362 H HN 0.318 nan 8.280 nan 0.000 0.558 363 G N 1.605 110.239 108.800 -0.278 0.000 2.450 363 G HA2 -0.187 3.779 3.960 0.009 0.000 0.220 363 G HA3 -0.187 3.779 3.960 0.009 0.000 0.220 363 G C 1.601 176.417 174.900 -0.139 0.000 1.130 363 G CA 0.880 45.851 45.100 -0.214 0.000 0.760 363 G HN 0.415 nan 8.290 nan 0.000 0.557 364 I N 0.346 120.870 120.570 -0.077 0.000 2.202 364 I HA -0.077 4.098 4.170 0.009 0.000 0.242 364 I C 2.561 178.575 176.117 -0.172 0.000 1.091 364 I CA 0.942 62.201 61.300 -0.067 0.000 1.368 364 I CB -0.114 37.923 38.000 0.062 0.000 1.058 364 I HN 0.081 nan 8.210 nan 0.000 0.410 365 E N -0.139 119.996 120.200 -0.109 0.000 2.208 365 E HA -0.229 4.126 4.350 0.009 0.000 0.193 365 E C 1.636 178.148 176.600 -0.146 0.000 0.988 365 E CA 0.838 57.238 56.400 0.001 0.000 0.828 365 E CB -0.391 29.408 29.700 0.165 0.000 0.763 365 E HN 0.590 nan 8.360 nan 0.000 0.478 366 W N 2.015 123.061 121.300 -0.423 0.000 2.379 366 W HA -0.084 4.581 4.660 0.009 0.000 0.307 366 W C 2.356 178.477 176.519 -0.664 0.000 1.200 366 W CA 2.220 59.288 57.345 -0.463 0.000 1.297 366 W CB -0.533 28.599 29.460 -0.548 0.000 1.140 366 W HN 0.033 nan 8.180 nan 0.000 0.507 367 A N 0.915 123.103 122.820 -1.054 0.000 1.883 367 A HA -0.196 4.130 4.320 0.009 0.000 0.217 367 A C 2.100 178.820 177.584 -1.441 0.000 1.186 367 A CA 1.934 52.909 52.037 -1.770 0.000 0.624 367 A CB -0.843 17.169 19.000 -1.646 0.000 0.822 367 A HN 0.392 nan 8.150 nan 0.000 0.444 368 R N -1.002 118.865 120.500 -1.055 0.000 2.115 368 R HA -0.090 4.256 4.340 0.009 0.000 0.230 368 R C 2.345 177.875 176.300 -1.283 0.000 1.111 368 R CA 0.949 56.385 56.100 -1.106 0.000 0.976 368 R CB -0.520 29.203 30.300 -0.961 0.000 0.870 368 R HN 0.557 nan 8.270 nan 0.000 0.445 369 G N 0.912 109.016 108.800 -1.159 0.000 2.402 369 G HA2 -0.225 3.741 3.960 0.009 0.000 0.216 369 G HA3 -0.225 3.741 3.960 0.009 0.000 0.216 369 G C 1.408 175.873 174.900 -0.726 0.000 1.162 369 G CA 0.377 45.026 45.100 -0.752 0.000 0.777 369 G HN 0.063 nan 8.290 nan 0.000 0.539 370 M N 0.348 119.360 119.600 -0.979 0.000 2.159 370 M HA 0.094 4.579 4.480 0.009 0.000 0.263 370 M C 2.592 178.595 176.300 -0.494 0.000 1.063 370 M CA 0.856 55.706 55.300 -0.750 0.000 1.110 370 M CB -0.961 31.092 32.600 -0.913 0.000 1.374 370 M HN 0.236 nan 8.290 nan 0.000 0.411 371 I N 0.074 120.216 120.570 -0.714 0.000 2.202 371 I HA -0.231 3.944 4.170 0.009 0.000 0.242 371 I C 2.632 178.484 176.117 -0.441 0.000 1.091 371 I CA 1.060 61.947 61.300 -0.688 0.000 1.368 371 I CB -0.591 36.737 38.000 -1.120 0.000 1.058 371 I HN 0.205 nan 8.210 nan 0.000 0.410 372 A N 0.886 123.380 122.820 -0.543 0.000 1.892 372 A HA -0.216 4.109 4.320 0.009 0.000 0.218 372 A C 2.151 179.750 177.584 0.025 0.000 1.188 372 A CA 1.710 53.559 52.037 -0.313 0.000 0.631 372 A CB -0.786 17.989 19.000 -0.376 0.000 0.822 372 A HN 0.283 nan 8.150 nan 0.000 0.447 373 L N -0.511 120.689 121.223 -0.038 0.000 2.005 373 L HA -0.081 4.264 4.340 0.009 0.000 0.207 373 L C 3.042 180.036 176.870 0.207 0.000 1.072 373 L CA 2.010 56.906 54.840 0.094 0.000 0.744 373 L CB -1.207 40.777 42.059 -0.125 0.000 0.895 373 L HN 0.395 nan 8.230 nan 0.000 0.433 374 A N -1.571 121.343 122.820 0.157 0.000 1.940 374 A HA -0.225 4.100 4.320 0.009 0.000 0.219 374 A C 2.365 180.019 177.584 0.117 0.000 1.176 374 A CA 2.343 54.496 52.037 0.194 0.000 0.631 374 A CB -1.007 18.103 19.000 0.184 0.000 0.814 374 A HN 0.458 nan 8.150 nan 0.000 0.446 375 T N -0.011 114.627 114.554 0.140 0.000 2.701 375 T HA -0.139 4.217 4.350 0.009 0.000 0.263 375 T C 1.929 176.698 174.700 0.115 0.000 1.040 375 T CA 1.716 63.948 62.100 0.220 0.000 1.147 375 T CB -0.316 68.759 68.868 0.345 0.000 0.865 375 T HN 0.449 nan 8.240 nan 0.000 0.426 376 M N 0.860 120.564 119.600 0.173 0.000 2.260 376 M HA -0.098 4.387 4.480 0.009 0.000 0.261 376 M C 1.814 178.090 176.300 -0.040 0.000 1.066 376 M CA 1.262 56.638 55.300 0.125 0.000 1.082 376 M CB -0.201 32.556 32.600 0.263 0.000 1.388 376 M HN 0.105 nan 8.290 nan 0.000 0.419 377 Q N -0.162 119.545 119.800 -0.154 0.000 2.246 377 Q HA 0.184 4.529 4.340 0.009 0.000 0.202 377 Q C 0.583 176.367 176.000 -0.359 0.000 0.883 377 Q CA 0.397 56.041 55.803 -0.265 0.000 0.952 377 Q CB 0.396 29.028 28.738 -0.177 0.000 1.078 377 Q HN 0.646 nan 8.270 nan 0.000 0.493 378 G N 2.938 111.337 108.800 -0.668 0.000 2.385 378 G HA2 -0.275 3.690 3.960 0.009 0.000 0.294 378 G HA3 -0.275 3.690 3.960 0.009 0.000 0.294 378 G C 0.255 174.677 174.900 -0.796 0.000 1.070 378 G CA 0.459 44.684 45.100 -1.459 0.000 1.172 378 G HN 0.435 nan 8.290 nan 0.000 0.516 379 M N -0.538 118.803 119.600 -0.431 0.000 2.251 379 M HA 0.470 4.956 4.480 0.009 0.000 0.343 379 M C 1.430 177.779 176.300 0.082 0.000 1.245 379 M CA 1.322 56.592 55.300 -0.050 0.000 1.061 379 M CB 0.863 33.540 32.600 0.129 0.000 1.723 379 M HN 1.690 nan 8.290 nan 0.000 0.449 380 G N 2.433 111.268 108.800 0.057 0.000 2.339 380 G HA2 -0.213 3.752 3.960 0.009 0.000 0.209 380 G HA3 -0.213 3.752 3.960 0.009 0.000 0.209 380 G C -0.008 174.918 174.900 0.044 0.000 1.015 380 G CA 0.088 45.237 45.100 0.082 0.000 0.635 380 G HN 1.022 nan 8.290 nan 0.000 0.499 381 K N 1.255 121.656 120.400 0.002 0.000 2.126 381 K HA 0.589 4.914 4.320 0.009 0.000 0.257 381 K C -2.815 173.741 176.600 -0.074 0.000 1.007 381 K CA -1.640 54.629 56.287 -0.031 0.000 0.928 381 K CB 0.943 33.411 32.500 -0.054 0.000 1.013 381 K HN 0.051 nan 8.250 nan 0.000 0.473 382 P HA -0.042 nan 4.420 nan 0.000 0.262 382 P C 0.422 177.579 177.300 -0.239 0.000 1.182 382 P CA 1.287 64.261 63.100 -0.210 0.000 0.761 382 P CB 0.442 31.872 31.700 -0.450 0.000 0.795 383 G N 1.672 110.435 108.800 -0.061 0.000 2.184 383 G HA2 -0.226 3.739 3.960 0.009 0.000 0.264 383 G HA3 -0.226 3.739 3.960 0.009 0.000 0.264 383 G C 0.249 174.848 174.900 -0.501 0.000 0.975 383 G CA 0.277 45.323 45.100 -0.090 0.000 0.642 383 G HN 0.795 nan 8.290 nan 0.000 0.536 384 S N -0.169 115.232 115.700 -0.498 0.000 2.736 384 S HA 0.684 5.159 4.470 0.009 0.000 0.285 384 S C -0.840 173.573 174.600 -0.312 0.000 1.163 384 S CA -0.033 57.888 58.200 -0.465 0.000 1.025 384 S CB 1.290 64.340 63.200 -0.250 0.000 1.030 384 S HN 0.747 nan 8.310 nan 0.000 0.486 385 N N 2.549 121.092 118.700 -0.261 0.000 3.501 385 N HA 0.213 4.959 4.740 0.009 0.000 0.235 385 N C -1.855 173.787 175.510 0.219 0.000 1.442 385 N CA -0.504 52.583 53.050 0.061 0.000 0.872 385 N CB 1.287 39.886 38.487 0.187 0.000 1.414 385 N HN 0.676 nan 8.380 nan 0.000 0.485 386 M N 1.614 121.358 119.600 0.240 0.000 2.108 386 M HA 0.410 4.895 4.480 0.009 0.000 0.354 386 M C -1.567 174.915 176.300 0.304 0.000 1.229 386 M CA -0.356 55.088 55.300 0.239 0.000 1.081 386 M CB 0.501 33.219 32.600 0.196 0.000 1.606 386 M HN 0.520 nan 8.290 nan 0.000 0.467 387 W N 3.297 124.623 121.300 0.044 0.000 3.615 387 W HA 0.349 5.014 4.660 0.008 0.000 0.319 387 W C -1.199 175.239 176.519 -0.135 0.000 1.172 387 W CA -0.594 56.720 57.345 -0.051 0.000 1.240 387 W CB 1.338 30.776 29.460 -0.038 0.000 1.313 387 W HN 0.516 nan 8.180 nan 0.000 0.487 388 S N 2.394 117.808 115.700 -0.477 0.000 2.572 388 S HA 0.062 4.537 4.470 0.009 0.000 0.228 388 S C 1.350 175.493 174.600 -0.762 0.000 0.963 388 S CA 0.731 58.614 58.200 -0.530 0.000 0.939 388 S CB -0.001 63.064 63.200 -0.225 0.000 0.804 388 S HN 1.098 nan 8.310 nan 0.000 0.480 389 T N -0.912 112.629 114.554 -1.688 0.000 7.578 389 T HA -0.294 4.062 4.350 0.009 0.000 0.299 389 T C 1.119 175.516 174.700 -0.506 0.000 2.097 389 T CA 2.089 63.306 62.100 -1.471 0.000 3.248 389 T CB -2.663 65.665 68.868 -0.900 0.000 2.014 389 T HN 0.585 nan 8.240 nan 0.000 1.198 390 T N -2.558 111.793 114.554 -0.338 0.000 3.039 390 T HA 0.361 4.716 4.350 0.009 0.000 0.250 390 T C 0.936 175.602 174.700 -0.056 0.000 1.052 390 T CA 0.398 62.406 62.100 -0.153 0.000 1.125 390 T CB 0.245 69.018 68.868 -0.158 0.000 0.908 390 T HN 0.802 nan 8.240 nan 0.000 0.473 391 Q N -0.117 119.692 119.800 0.014 0.000 2.699 391 Q HA 0.575 4.921 4.340 0.009 0.000 0.240 391 Q C 0.795 176.910 176.000 0.191 0.000 1.033 391 Q CA -0.573 55.242 55.803 0.021 0.000 0.938 391 Q CB 1.103 29.767 28.738 -0.124 0.000 1.312 391 Q HN 0.369 nan 8.270 nan 0.000 0.507 392 G N -0.614 108.205 108.800 0.032 0.000 2.175 392 G HA2 -0.230 3.736 3.960 0.009 0.000 0.244 392 G HA3 -0.230 3.736 3.960 0.009 0.000 0.244 392 G C 0.037 174.916 174.900 -0.036 0.000 0.982 392 G CA 0.058 45.153 45.100 -0.009 0.000 0.641 392 G HN 0.329 nan 8.290 nan 0.000 0.527 393 V N 1.739 121.627 119.914 -0.042 0.000 2.673 393 V HA 0.267 4.392 4.120 0.009 0.000 0.303 393 V C -0.891 175.021 176.094 -0.303 0.000 1.046 393 V CA -0.131 62.017 62.300 -0.253 0.000 1.126 393 V CB 1.154 32.878 31.823 -0.166 0.000 0.934 393 V HN 0.157 nan 8.190 nan 0.000 0.487 394 P HA 0.148 nan 4.420 nan 0.000 0.262 394 P C -0.094 176.900 177.300 -0.510 0.000 1.647 394 P CA 0.152 62.929 63.100 -0.538 0.000 0.865 394 P CB -0.220 31.172 31.700 -0.514 0.000 1.834 395 L N -0.281 120.714 121.223 -0.380 0.000 2.472 395 L HA 0.187 4.533 4.340 0.009 0.000 0.260 395 L C 1.078 177.781 176.870 -0.279 0.000 1.209 395 L CA -0.464 54.292 54.840 -0.140 0.000 0.817 395 L CB 0.187 42.367 42.059 0.202 0.000 1.106 395 L HN -0.043 nan 8.230 nan 0.000 0.479 396 D N 0.035 120.405 120.400 -0.048 0.000 2.398 396 D HA 0.003 4.648 4.640 0.009 0.000 0.250 396 D C 0.739 177.189 176.300 0.249 0.000 1.287 396 D CA 0.354 54.366 54.000 0.021 0.000 0.992 396 D CB 0.080 40.938 40.800 0.097 0.000 1.071 396 D HN 0.282 nan 8.370 nan 0.000 0.514 397 Y N 1.419 121.915 120.300 0.327 0.000 2.574 397 Y HA -0.081 4.474 4.550 0.008 0.000 0.294 397 Y C 1.932 178.040 175.900 0.348 0.000 1.142 397 Y CA 0.168 58.515 58.100 0.412 0.000 1.314 397 Y CB 0.234 38.878 38.460 0.307 0.000 0.991 397 Y HN 0.411 nan 8.280 nan 0.000 0.555 398 E N 0.049 120.490 120.200 0.403 0.000 2.285 398 E HA -0.101 4.254 4.350 0.009 0.000 0.194 398 E C 0.100 176.917 176.600 0.362 0.000 0.997 398 E CA -0.042 56.550 56.400 0.320 0.000 0.845 398 E CB 0.035 29.876 29.700 0.234 0.000 0.782 398 E HN 0.208 nan 8.360 nan 0.000 0.491 399 F N 1.135 121.236 119.950 0.251 0.000 2.484 399 F HA 0.112 4.644 4.527 0.009 0.000 0.360 399 F C -0.454 175.529 175.800 0.306 0.000 1.101 399 F CA -0.580 57.571 58.000 0.252 0.000 1.251 399 F CB 0.399 39.516 39.000 0.196 0.000 1.132 399 F HN -0.158 nan 8.300 nan 0.000 0.570 400 Y N 7.794 127.787 120.300 -0.512 0.000 2.328 400 Y HA 0.486 5.041 4.550 0.009 0.000 0.337 400 Y C -1.957 173.736 175.900 -0.344 0.000 0.966 400 Y CA -1.574 56.367 58.100 -0.265 0.000 1.136 400 Y CB 0.796 39.178 38.460 -0.131 0.000 1.170 400 Y HN 0.539 nan 8.280 nan 0.000 0.470 401 F N 8.873 128.280 119.950 -0.905 0.000 2.585 401 F HA 0.599 5.131 4.527 0.009 0.000 0.319 401 F C -2.737 172.642 175.800 -0.703 0.000 1.165 401 F CA -2.618 54.947 58.000 -0.726 0.000 0.949 401 F CB 1.750 40.638 39.000 -0.186 0.000 1.218 401 F HN 0.391 nan 8.300 nan 0.000 0.453 402 P HA 0.228 nan 4.420 nan 0.000 0.267 402 P C -0.248 176.876 177.300 -0.295 0.000 1.200 402 P CA 0.066 62.717 63.100 -0.747 0.000 0.772 402 P CB 0.728 31.692 31.700 -1.228 0.000 0.855 403 G N 0.821 109.528 108.800 -0.155 0.000 2.511 403 G HA2 0.308 4.274 3.960 0.009 0.000 0.316 403 G HA3 0.308 4.274 3.960 0.009 0.000 0.316 403 G C 0.166 174.894 174.900 -0.286 0.000 1.210 403 G CA -0.522 44.485 45.100 -0.154 0.000 0.969 403 G HN 0.554 nan 8.290 nan 0.000 0.492 404 Y N -1.356 118.730 120.300 -0.356 0.000 2.274 404 Y HA 0.108 4.663 4.550 0.009 0.000 0.290 404 Y C 2.463 178.098 175.900 -0.441 0.000 1.145 404 Y CA 1.017 58.794 58.100 -0.538 0.000 1.203 404 Y CB -0.859 36.878 38.460 -1.205 0.000 0.984 404 Y HN 0.345 nan 8.280 nan 0.000 0.533 405 A N 0.967 123.436 122.820 -0.585 0.000 2.172 405 A HA -0.125 4.200 4.320 0.009 0.000 0.216 405 A C 1.825 179.338 177.584 -0.118 0.000 1.154 405 A CA 1.179 52.939 52.037 -0.463 0.000 0.701 405 A CB -0.760 18.015 19.000 -0.375 0.000 0.789 405 A HN 0.655 nan 8.150 nan 0.000 0.465 406 E N -1.287 118.880 120.200 -0.055 0.000 2.512 406 E HA 0.216 4.571 4.350 0.009 0.000 0.195 406 E C 1.360 178.071 176.600 0.185 0.000 1.083 406 E CA 0.273 56.735 56.400 0.103 0.000 0.873 406 E CB -0.172 29.582 29.700 0.091 0.000 0.897 406 E HN 0.725 nan 8.360 nan 0.000 0.514 407 G N 0.357 109.280 108.800 0.205 0.000 2.284 407 G HA2 -0.358 3.607 3.960 0.009 0.000 0.230 407 G HA3 -0.358 3.607 3.960 0.009 0.000 0.230 407 G C 0.909 176.012 174.900 0.339 0.000 1.021 407 G CA -0.056 45.234 45.100 0.316 0.000 0.619 407 G HN 0.720 nan 8.290 nan 0.000 0.510 408 G N 0.801 109.812 108.800 0.352 0.000 2.629 408 G HA2 -0.275 3.690 3.960 0.009 0.000 0.313 408 G HA3 -0.275 3.690 3.960 0.009 0.000 0.313 408 G C 1.353 176.540 174.900 0.479 0.000 1.217 408 G CA 2.409 47.815 45.100 0.510 0.000 0.994 408 G HN 2.010 nan 8.290 nan 0.000 0.549 409 I N 0.110 120.795 120.570 0.192 0.000 3.684 409 I HA 0.322 4.498 4.170 0.009 0.000 0.304 409 I C 2.286 178.466 176.117 0.105 0.000 1.278 409 I CA 1.553 62.826 61.300 -0.044 0.000 1.272 409 I CB 0.089 37.584 38.000 -0.841 0.000 1.029 409 I HN 0.533 nan 8.210 nan 0.000 0.458 410 S N 1.298 117.106 115.700 0.179 0.000 2.388 410 S HA 0.176 4.651 4.470 0.009 0.000 0.223 410 S C 1.926 176.561 174.600 0.059 0.000 1.034 410 S CA 0.717 58.993 58.200 0.127 0.000 0.963 410 S CB -0.656 62.660 63.200 0.193 0.000 0.827 410 S HN 0.767 nan 8.310 nan 0.000 0.481 411 G N 1.691 110.594 108.800 0.171 0.000 2.153 411 G HA2 -0.254 3.711 3.960 0.009 0.000 0.252 411 G HA3 -0.254 3.711 3.960 0.009 0.000 0.252 411 G C -0.186 174.653 174.900 -0.102 0.000 0.994 411 G CA 0.327 45.437 45.100 0.017 0.000 0.698 411 G HN 0.671 nan 8.290 nan 0.000 0.521 412 D N 0.087 120.469 120.400 -0.031 0.000 2.346 412 D HA 0.208 4.854 4.640 0.009 0.000 0.267 412 D C 1.509 177.770 176.300 -0.065 0.000 1.320 412 D CA -0.004 53.938 54.000 -0.098 0.000 0.951 412 D CB -0.129 40.575 40.800 -0.160 0.000 1.079 412 D HN 0.200 nan 8.370 nan 0.000 0.509 413 C N 3.011 122.253 119.300 -0.097 0.000 2.511 413 C HA -0.012 4.454 4.460 0.009 0.000 0.277 413 C C 2.006 176.992 174.990 -0.007 0.000 1.451 413 C CA 0.120 59.105 59.018 -0.054 0.000 1.735 413 C CB -0.947 26.743 27.740 -0.083 0.000 1.704 413 C HN 0.725 nan 8.230 nan 0.000 0.571 414 E N -0.032 120.141 120.200 -0.045 0.000 2.421 414 E HA 0.061 4.416 4.350 0.009 0.000 0.209 414 E C 1.219 177.804 176.600 -0.024 0.000 0.871 414 E CA 0.220 56.605 56.400 -0.025 0.000 1.064 414 E CB 0.137 29.797 29.700 -0.066 0.000 1.075 414 E HN 0.479 nan 8.360 nan 0.000 0.513 415 N N 0.681 119.313 118.700 -0.113 0.000 2.204 415 N HA 0.075 4.820 4.740 0.009 0.000 0.219 415 N C -0.567 175.053 175.510 0.183 0.000 1.151 415 N CA 0.469 53.451 53.050 -0.113 0.000 0.867 415 N CB 1.531 39.630 38.487 -0.647 0.000 1.043 415 N HN 0.114 nan 8.380 nan 0.000 0.516 416 S N -1.457 114.365 115.700 0.203 0.000 2.625 416 S HA 0.635 5.110 4.470 0.009 0.000 0.271 416 S C -0.314 174.402 174.600 0.193 0.000 1.161 416 S CA -0.744 57.650 58.200 0.324 0.000 0.820 416 S CB 1.740 65.164 63.200 0.373 0.000 1.137 416 S HN -0.036 nan 8.310 nan 0.000 0.470 417 A N 0.200 123.127 122.820 0.177 0.000 2.476 417 A HA 0.689 5.014 4.320 0.009 0.000 0.263 417 A C 1.725 179.456 177.584 0.245 0.000 1.342 417 A CA 0.344 52.504 52.037 0.205 0.000 0.926 417 A CB -1.368 17.796 19.000 0.272 0.000 1.019 417 A HN 1.401 nan 8.150 nan 0.000 0.515 418 A N -0.142 122.788 122.820 0.184 0.000 1.978 418 A HA 0.034 4.359 4.320 0.009 0.000 0.220 418 A C 2.209 179.791 177.584 -0.004 0.000 1.170 418 A CA 1.764 53.885 52.037 0.140 0.000 0.636 418 A CB -0.911 18.146 19.000 0.095 0.000 0.810 418 A HN 0.798 nan 8.150 nan 0.000 0.448 419 G N -1.900 106.915 108.800 0.025 0.000 2.509 419 G HA2 -0.146 3.819 3.960 0.009 0.000 0.218 419 G HA3 -0.146 3.819 3.960 0.009 0.000 0.218 419 G C 1.298 176.403 174.900 0.342 0.000 1.124 419 G CA 0.951 46.096 45.100 0.075 0.000 0.776 419 G HN 0.484 nan 8.290 nan 0.000 0.547 420 F N 0.188 120.167 119.950 0.048 0.000 2.128 420 F HA 0.205 4.737 4.527 0.009 0.000 0.295 420 F C 2.254 178.030 175.800 -0.041 0.000 1.100 420 F CA 1.989 59.891 58.000 -0.164 0.000 1.260 420 F CB 0.277 38.827 39.000 -0.750 0.000 1.009 420 F HN 0.130 nan 8.300 nan 0.000 0.476 421 K N -3.096 117.362 120.400 0.097 0.000 3.019 421 K HA -0.027 4.299 4.320 0.009 0.000 0.192 421 K C 1.780 178.453 176.600 0.122 0.000 1.680 421 K CA 0.115 56.427 56.287 0.042 0.000 1.375 421 K CB -0.798 31.534 32.500 -0.281 0.000 1.968 421 K HN 0.055 nan 8.250 nan 0.000 0.624 422 F N 2.731 122.694 119.950 0.022 0.000 2.126 422 F HA -0.086 4.447 4.527 0.009 0.000 0.299 422 F C 1.945 177.645 175.800 -0.167 0.000 1.096 422 F CA 1.897 59.880 58.000 -0.028 0.000 1.255 422 F CB -0.398 38.603 39.000 0.002 0.000 0.997 422 F HN 0.189 nan 8.300 nan 0.000 0.479 423 A N -0.239 122.384 122.820 -0.329 0.000 1.883 423 A HA -0.254 4.071 4.320 0.009 0.000 0.217 423 A C 2.080 179.326 177.584 -0.562 0.000 1.186 423 A CA 1.920 53.655 52.037 -0.504 0.000 0.624 423 A CB -1.791 16.740 19.000 -0.781 0.000 0.822 423 A HN 0.630 nan 8.150 nan 0.000 0.444 424 W N -0.513 120.706 121.300 -0.136 0.000 2.421 424 W HA -0.028 4.637 4.660 0.009 0.000 0.270 424 W C 2.438 178.821 176.519 -0.227 0.000 1.233 424 W CA 0.930 58.176 57.345 -0.165 0.000 1.226 424 W CB -0.152 29.191 29.460 -0.195 0.000 1.121 424 W HN 0.232 nan 8.180 nan 0.000 0.579 425 R N -0.756 119.626 120.500 -0.197 0.000 2.105 425 R HA 0.049 4.394 4.340 0.009 0.000 0.214 425 R C 2.080 178.078 176.300 -0.505 0.000 1.091 425 R CA 1.045 56.969 56.100 -0.294 0.000 1.007 425 R CB -0.615 29.530 30.300 -0.258 0.000 0.912 425 R HN 0.103 nan 8.270 nan 0.000 0.450 426 M N 0.107 119.173 119.600 -0.889 0.000 2.254 426 M HA 0.035 4.520 4.480 0.009 0.000 0.265 426 M C -0.411 175.252 176.300 -1.060 0.000 1.066 426 M CA 1.588 56.202 55.300 -1.144 0.000 1.123 426 M CB 0.349 31.912 32.600 -1.729 0.000 1.388 426 M HN -0.158 nan 8.290 nan 0.000 0.425 427 F N -0.062 119.671 119.950 -0.362 0.000 2.522 427 F HA 0.302 4.834 4.527 0.009 0.000 0.324 427 F C 0.687 176.332 175.800 -0.258 0.000 1.077 427 F CA -0.956 56.867 58.000 -0.296 0.000 0.944 427 F CB 1.099 39.929 39.000 -0.285 0.000 1.175 427 F HN 0.122 nan 8.300 nan 0.000 0.468 428 D N -0.679 119.649 120.400 -0.121 0.000 2.433 428 D HA 0.179 4.824 4.640 0.009 0.000 0.211 428 D C 1.492 177.708 176.300 -0.140 0.000 1.114 428 D CA 0.349 54.270 54.000 -0.133 0.000 0.837 428 D CB 0.333 41.040 40.800 -0.155 0.000 0.984 428 D HN 0.782 nan 8.370 nan 0.000 0.505 429 G N 0.705 109.362 108.800 -0.238 0.000 2.179 429 G HA2 -0.376 3.589 3.960 0.009 0.000 0.257 429 G HA3 -0.376 3.589 3.960 0.009 0.000 0.257 429 G C 0.797 175.649 174.900 -0.080 0.000 1.010 429 G CA 1.006 46.022 45.100 -0.140 0.000 0.736 429 G HN 0.498 nan 8.290 nan 0.000 0.513 430 K N -2.387 117.835 120.400 -0.297 0.000 2.735 430 K HA 0.143 4.469 4.320 0.009 0.000 0.197 430 K C 2.239 178.829 176.600 -0.017 0.000 1.468 430 K CA 0.853 57.117 56.287 -0.038 0.000 1.109 430 K CB 0.177 32.654 32.500 -0.039 0.000 1.732 430 K HN 0.395 nan 8.250 nan 0.000 0.541 431 T N -1.953 112.454 114.554 -0.245 0.000 2.959 431 T HA 0.100 4.455 4.350 0.009 0.000 0.254 431 T C 0.511 175.129 174.700 -0.138 0.000 1.003 431 T CA 0.096 62.144 62.100 -0.088 0.000 0.950 431 T CB 0.772 69.593 68.868 -0.078 0.000 1.090 431 T HN 0.013 nan 8.240 nan 0.000 0.503 432 T N 1.038 115.310 114.554 -0.471 0.000 2.921 432 T HA 0.660 5.016 4.350 0.009 0.000 0.297 432 T C -2.078 172.441 174.700 -0.301 0.000 1.013 432 T CA -0.730 61.284 62.100 -0.143 0.000 0.990 432 T CB 0.820 69.677 68.868 -0.019 0.000 1.023 432 T HN 0.153 nan 8.240 nan 0.000 0.447 433 F N 3.942 124.077 119.950 0.308 0.000 2.577 433 F HA 0.635 5.167 4.527 0.009 0.000 0.318 433 F C -2.197 173.346 175.800 -0.429 0.000 1.065 433 F CA -2.433 55.554 58.000 -0.021 0.000 0.929 433 F CB 1.259 40.233 39.000 -0.043 0.000 1.237 433 F HN 0.351 nan 8.300 nan 0.000 0.468 434 P HA 0.127 nan 4.420 nan 0.000 0.274 434 P C -0.744 176.376 177.300 -0.299 0.000 1.260 434 P CA -0.399 62.164 63.100 -0.895 0.000 0.793 434 P CB 0.679 31.890 31.700 -0.815 0.000 1.048 435 S N 0.445 116.015 115.700 -0.215 0.000 2.252 435 S HA 0.470 4.945 4.470 0.009 0.000 0.187 435 S C -2.676 171.850 174.600 -0.124 0.000 1.587 435 S CA -1.713 56.424 58.200 -0.105 0.000 1.215 435 S CB -0.530 62.651 63.200 -0.032 0.000 1.085 435 S HN 0.132 nan 8.310 nan 0.000 0.466 436 P HA 0.311 nan 4.420 nan 0.000 0.274 436 P C -0.955 176.276 177.300 -0.115 0.000 1.246 436 P CA -0.424 62.597 63.100 -0.130 0.000 0.795 436 P CB 0.829 32.462 31.700 -0.111 0.000 1.006 437 S N 0.854 116.476 115.700 -0.131 0.000 2.647 437 S HA 0.295 4.770 4.470 0.009 0.000 0.300 437 S C 0.520 175.058 174.600 -0.103 0.000 1.129 437 S CA -0.676 57.455 58.200 -0.115 0.000 1.029 437 S CB -0.124 62.978 63.200 -0.163 0.000 1.007 437 S HN 0.446 nan 8.310 nan 0.000 0.484 438 N N 5.509 124.171 118.700 -0.063 0.000 2.322 438 N HA 0.124 4.869 4.740 0.009 0.000 0.194 438 N C 0.801 176.291 175.510 -0.033 0.000 1.126 438 N CA 0.132 53.163 53.050 -0.032 0.000 0.845 438 N CB -0.123 38.367 38.487 0.005 0.000 0.976 438 N HN 0.600 nan 8.380 nan 0.000 0.475 439 L N -0.947 120.211 121.223 -0.108 0.000 2.526 439 L HA 0.214 4.559 4.340 0.009 0.000 0.210 439 L C 0.506 177.220 176.870 -0.260 0.000 1.048 439 L CA 0.007 54.728 54.840 -0.198 0.000 0.852 439 L CB -0.177 41.739 42.059 -0.238 0.000 1.128 439 L HN 0.005 nan 8.230 nan 0.000 0.482 440 N N 1.315 119.828 118.700 -0.312 0.000 3.178 440 N HA 0.047 4.793 4.740 0.009 0.000 0.300 440 N C -0.649 174.738 175.510 -0.205 0.000 1.242 440 N CA 0.394 53.258 53.050 -0.310 0.000 1.192 440 N CB -0.056 38.156 38.487 -0.459 0.000 1.463 440 N HN 0.051 nan 8.380 nan 0.000 0.539 441 T N -1.109 113.370 114.554 -0.125 0.000 2.853 441 T HA 0.252 4.607 4.350 0.009 0.000 0.311 441 T C 0.942 175.647 174.700 0.008 0.000 1.307 441 T CA -0.496 61.561 62.100 -0.072 0.000 1.019 441 T CB 0.918 69.754 68.868 -0.054 0.000 1.264 441 T HN 0.111 nan 8.240 nan 0.000 0.497 442 S N 1.416 117.138 115.700 0.037 0.000 2.387 442 S HA -0.085 4.390 4.470 0.009 0.000 0.230 442 S C 2.028 176.768 174.600 0.233 0.000 1.035 442 S CA 1.597 59.914 58.200 0.196 0.000 1.014 442 S CB -0.402 62.856 63.200 0.096 0.000 0.836 442 S HN 0.817 nan 8.310 nan 0.000 0.466 443 A N 0.724 123.619 122.820 0.124 0.000 2.238 443 A HA 0.471 4.796 4.320 0.009 0.000 0.208 443 A C 1.345 179.053 177.584 0.206 0.000 1.177 443 A CA 0.702 52.827 52.037 0.146 0.000 0.804 443 A CB -0.437 18.620 19.000 0.094 0.000 0.823 443 A HN 0.479 nan 8.150 nan 0.000 0.482 444 G N -0.895 107.984 108.800 0.132 0.000 3.182 444 G HA2 0.458 4.423 3.960 0.009 0.000 0.167 444 G HA3 0.458 4.423 3.960 0.009 0.000 0.167 444 G C -0.212 174.581 174.900 -0.178 0.000 1.537 444 G CA -0.103 44.989 45.100 -0.014 0.000 1.046 444 G HN 0.398 nan 8.290 nan 0.000 0.580 445 Q N -0.497 119.063 119.800 -0.400 0.000 2.331 445 Q HA 0.450 4.795 4.340 0.009 0.000 0.272 445 Q C -1.503 174.483 176.000 -0.025 0.000 1.062 445 Q CA -0.912 54.766 55.803 -0.208 0.000 0.806 445 Q CB 1.762 30.249 28.738 -0.419 0.000 1.312 445 Q HN 0.918 nan 8.270 nan 0.000 0.431 446 H N 3.167 122.266 119.070 0.049 0.000 3.017 446 H HA 0.678 5.239 4.556 0.009 0.000 0.346 446 H C -1.392 174.008 175.328 0.120 0.000 1.286 446 H CA -0.832 55.230 56.048 0.023 0.000 1.120 446 H CB 1.338 31.102 29.762 0.002 0.000 1.860 446 H HN 0.745 nan 8.280 nan 0.000 0.542 447 I N -1.938 118.481 120.570 -0.252 0.000 2.969 447 I HA 0.580 4.755 4.170 0.009 0.000 0.307 447 I C -3.247 172.561 176.117 -0.515 0.000 1.149 447 I CA -2.907 58.033 61.300 -0.600 0.000 1.008 447 I CB 3.002 40.614 38.000 -0.647 0.000 1.232 447 I HN 0.182 nan 8.210 nan 0.000 0.435 448 P HA 0.248 nan 4.420 nan 0.000 0.276 448 P C 0.073 177.175 177.300 -0.329 0.000 1.235 448 P CA -0.339 62.479 63.100 -0.470 0.000 0.772 448 P CB 1.081 32.441 31.700 -0.567 0.000 0.871 449 R N 3.695 124.100 120.500 -0.158 0.000 2.105 449 R HA -0.110 4.235 4.340 0.009 0.000 0.239 449 R C 1.516 177.741 176.300 -0.124 0.000 1.135 449 R CA 1.475 57.507 56.100 -0.114 0.000 0.967 449 R CB -0.647 29.636 30.300 -0.029 0.000 0.861 449 R HN 0.438 nan 8.270 nan 0.000 0.442 450 L N 0.368 121.533 121.223 -0.097 0.000 2.450 450 L HA -0.096 4.249 4.340 0.009 0.000 0.224 450 L C 1.126 177.848 176.870 -0.248 0.000 1.149 450 L CA 1.013 55.809 54.840 -0.073 0.000 0.816 450 L CB 0.000 42.083 42.059 0.039 0.000 0.932 450 L HN 0.078 nan 8.230 nan 0.000 0.449 451 K N -0.604 119.540 120.400 -0.427 0.000 2.592 451 K HA 0.299 4.624 4.320 0.009 0.000 0.203 451 K C 1.322 177.481 176.600 -0.735 0.000 1.070 451 K CA -0.051 55.803 56.287 -0.722 0.000 1.062 451 K CB 0.749 32.549 32.500 -1.167 0.000 0.814 451 K HN 0.178 nan 8.250 nan 0.000 0.502 452 I N 1.726 121.948 120.570 -0.580 0.000 2.151 452 I HA -0.229 3.946 4.170 0.009 0.000 0.243 452 I C -0.855 174.887 176.117 -0.625 0.000 1.080 452 I CA 1.556 62.516 61.300 -0.567 0.000 1.339 452 I CB -1.028 36.753 38.000 -0.365 0.000 1.039 452 I HN 0.046 nan 8.210 nan 0.000 0.409 453 P HA -0.169 nan 4.420 nan 0.000 0.215 453 P C 1.263 178.256 177.300 -0.513 0.000 1.153 453 P CA 1.407 64.118 63.100 -0.647 0.000 0.853 453 P CB 0.042 31.276 31.700 -0.777 0.000 0.788 454 E N -1.245 118.628 120.200 -0.546 0.000 2.106 454 E HA -0.129 4.226 4.350 0.009 0.000 0.192 454 E C 2.092 178.489 176.600 -0.339 0.000 0.984 454 E CA 0.997 57.137 56.400 -0.433 0.000 0.806 454 E CB -1.392 27.970 29.700 -0.564 0.000 0.750 454 E HN 0.232 nan 8.360 nan 0.000 0.458 455 C N 0.166 119.193 119.300 -0.455 0.000 2.446 455 C HA -0.026 4.439 4.460 0.009 0.000 0.277 455 C C 2.537 177.391 174.990 -0.226 0.000 1.275 455 C CA 0.278 59.084 59.018 -0.354 0.000 1.727 455 C CB -0.792 26.426 27.740 -0.870 0.000 2.010 455 C HN 0.379 nan 8.230 nan 0.000 0.486 456 I N 0.410 120.760 120.570 -0.367 0.000 2.163 456 I HA -0.222 3.953 4.170 0.009 0.000 0.240 456 I C 2.507 178.334 176.117 -0.483 0.000 1.081 456 I CA 1.724 62.823 61.300 -0.335 0.000 1.353 456 I CB -0.327 37.452 38.000 -0.367 0.000 1.054 456 I HN 0.335 nan 8.210 nan 0.000 0.407 457 M N -0.276 119.006 119.600 -0.530 0.000 2.334 457 M HA 0.025 4.510 4.480 0.009 0.000 0.266 457 M C 2.148 178.219 176.300 -0.381 0.000 1.082 457 M CA 1.467 56.339 55.300 -0.714 0.000 1.141 457 M CB -0.434 31.948 32.600 -0.365 0.000 1.380 457 M HN 0.283 nan 8.290 nan 0.000 0.440 458 G N -0.733 107.946 108.800 -0.202 0.000 2.595 458 G HA2 0.244 4.209 3.960 0.009 0.000 0.213 458 G HA3 0.244 4.209 3.960 0.009 0.000 0.213 458 G C 1.196 176.107 174.900 0.019 0.000 1.141 458 G CA 0.583 45.652 45.100 -0.052 0.000 0.806 458 G HN 0.582 nan 8.290 nan 0.000 0.530 459 G N -0.660 108.168 108.800 0.046 0.000 2.148 459 G HA2 -0.256 3.709 3.960 0.009 0.000 0.254 459 G HA3 -0.256 3.709 3.960 0.009 0.000 0.254 459 G C 0.108 175.114 174.900 0.178 0.000 0.981 459 G CA 0.943 46.124 45.100 0.136 0.000 0.670 459 G HN 0.862 nan 8.290 nan 0.000 0.528 460 K N -1.540 119.035 120.400 0.292 0.000 2.598 460 K HA 0.665 4.990 4.320 0.009 0.000 0.271 460 K C -2.087 174.821 176.600 0.513 0.000 0.947 460 K CA -0.962 55.523 56.287 0.330 0.000 0.854 460 K CB 1.286 33.880 32.500 0.156 0.000 1.401 460 K HN 0.413 nan 8.250 nan 0.000 0.415 461 F N 1.261 121.428 119.950 0.362 0.000 2.719 461 F HA 0.392 4.924 4.527 0.009 0.000 0.309 461 F C -1.790 174.310 175.800 0.500 0.000 1.138 461 F CA -0.426 57.800 58.000 0.377 0.000 0.943 461 F CB 2.068 41.260 39.000 0.320 0.000 1.304 461 F HN 0.429 nan 8.300 nan 0.000 0.445 462 Q N 3.185 122.828 119.800 -0.261 0.000 2.315 462 Q HA 0.516 4.862 4.340 0.009 0.000 0.273 462 Q C -1.913 174.077 176.000 -0.017 0.000 1.053 462 Q CA -0.401 55.344 55.803 -0.096 0.000 0.817 462 Q CB 2.897 31.556 28.738 -0.132 0.000 1.326 462 Q HN 0.787 nan 8.270 nan 0.000 0.423 463 W N 0.876 122.203 121.300 0.044 0.000 2.874 463 W HA 0.714 5.379 4.660 0.009 0.000 0.403 463 W C -1.559 175.165 176.519 0.342 0.000 1.144 463 W CA -0.760 56.694 57.345 0.182 0.000 1.175 463 W CB 0.380 30.043 29.460 0.339 0.000 1.483 463 W HN 0.329 nan 8.180 nan 0.000 0.591 464 S N 1.272 117.309 115.700 0.562 0.000 2.454 464 S HA 0.738 5.213 4.470 0.009 0.000 0.306 464 S C 0.090 175.173 174.600 0.805 0.000 1.100 464 S CA 0.165 58.695 58.200 0.550 0.000 1.087 464 S CB 0.850 64.350 63.200 0.500 0.000 1.019 464 S HN 1.641 nan 8.310 nan 0.000 0.480 465 G N 2.063 111.358 108.800 0.824 0.000 2.785 465 G HA2 -0.163 3.802 3.960 0.009 0.000 0.685 465 G HA3 -0.163 3.802 3.960 0.009 0.000 0.685 465 G C -0.797 174.445 174.900 0.571 0.000 1.480 465 G CA -0.667 44.894 45.100 0.769 0.000 0.915 465 G HN 0.750 nan 8.290 nan 0.000 0.576 466 K N 1.467 121.995 120.400 0.213 0.000 2.449 466 K HA 0.571 4.897 4.320 0.009 0.000 0.257 466 K C 1.360 177.939 176.600 -0.035 0.000 0.989 466 K CA 0.541 56.723 56.287 -0.175 0.000 0.916 466 K CB 0.414 32.512 32.500 -0.671 0.000 1.136 466 K HN 2.400 nan 8.250 nan 0.000 0.439 467 G N 3.437 112.278 108.800 0.069 0.000 2.651 467 G HA2 -0.335 3.630 3.960 0.009 0.000 0.315 467 G HA3 -0.335 3.630 3.960 0.009 0.000 0.315 467 G C -0.446 174.592 174.900 0.229 0.000 1.258 467 G CA 0.120 45.281 45.100 0.100 0.000 1.002 467 G HN 0.545 nan 8.290 nan 0.000 0.551 468 F N 2.614 122.509 119.950 -0.091 0.000 2.464 468 F HA 0.576 5.109 4.527 0.009 0.000 0.353 468 F C 1.240 176.958 175.800 -0.137 0.000 1.191 468 F CA -0.912 56.914 58.000 -0.290 0.000 1.147 468 F CB 0.269 38.945 39.000 -0.539 0.000 1.294 468 F HN 0.703 nan 8.300 nan 0.000 0.583 469 A N 2.518 125.446 122.820 0.181 0.000 3.056 469 A HA 0.484 4.810 4.320 0.009 0.000 0.274 469 A C 1.474 179.072 177.584 0.023 0.000 1.661 469 A CA 0.147 52.275 52.037 0.152 0.000 1.363 469 A CB -0.890 18.189 19.000 0.132 0.000 1.139 469 A HN 0.803 nan 8.150 nan 0.000 0.598 470 G N -0.126 108.718 108.800 0.075 0.000 3.189 470 G HA2 0.287 4.252 3.960 0.009 0.000 0.225 470 G HA3 0.287 4.252 3.960 0.009 0.000 0.225 470 G C 1.042 176.054 174.900 0.188 0.000 1.159 470 G CA 0.705 45.852 45.100 0.079 0.000 0.763 470 G HN 0.683 nan 8.290 nan 0.000 0.549 471 G N -0.104 108.806 108.800 0.184 0.000 2.404 471 G HA2 0.123 4.089 3.960 0.009 0.000 0.215 471 G HA3 0.123 4.089 3.960 0.009 0.000 0.215 471 G C 0.301 175.015 174.900 -0.310 0.000 1.174 471 G CA 1.039 46.191 45.100 0.087 0.000 0.780 471 G HN 0.457 nan 8.290 nan 0.000 0.537 472 D N -2.958 116.947 120.400 -0.826 0.000 2.599 472 D HA 0.290 4.935 4.640 0.009 0.000 0.252 472 D C 1.346 177.410 176.300 -0.394 0.000 1.232 472 D CA -0.780 52.895 54.000 -0.541 0.000 0.819 472 D CB 0.648 41.102 40.800 -0.576 0.000 1.401 472 D HN -0.090 nan 8.370 nan 0.000 0.429 473 I N 0.318 120.750 120.570 -0.230 0.000 2.145 473 I HA -0.263 3.913 4.170 0.009 0.000 0.244 473 I C 1.594 177.603 176.117 -0.179 0.000 1.075 473 I CA 1.250 62.408 61.300 -0.237 0.000 1.332 473 I CB -0.241 37.672 38.000 -0.146 0.000 1.033 473 I HN 0.244 nan 8.210 nan 0.000 0.410 474 S N -1.247 114.418 115.700 -0.057 0.000 2.603 474 S HA -0.035 4.440 4.470 0.009 0.000 0.220 474 S C 1.533 176.215 174.600 0.136 0.000 0.967 474 S CA 0.088 58.309 58.200 0.036 0.000 0.920 474 S CB -0.504 62.734 63.200 0.063 0.000 0.773 474 S HN 0.500 nan 8.310 nan 0.000 0.529 475 H N 2.217 121.289 119.070 0.003 0.000 2.387 475 H HA -0.165 4.396 4.556 0.009 0.000 0.299 475 H C 2.478 177.878 175.328 0.118 0.000 1.099 475 H CA 1.488 57.573 56.048 0.062 0.000 1.315 475 H CB -0.017 29.776 29.762 0.052 0.000 1.380 475 H HN 0.606 nan 8.280 nan 0.000 0.513 476 Q N 1.056 120.958 119.800 0.170 0.000 2.364 476 Q HA -0.105 4.241 4.340 0.009 0.000 0.209 476 Q C 1.755 177.922 176.000 0.278 0.000 0.977 476 Q CA 1.063 56.986 55.803 0.201 0.000 0.885 476 Q CB -0.198 28.514 28.738 -0.044 0.000 0.941 476 Q HN 0.508 nan 8.270 nan 0.000 0.464 477 L N 0.221 121.492 121.223 0.081 0.000 2.492 477 L HA 0.075 4.421 4.340 0.009 0.000 0.223 477 L C 1.513 178.359 176.870 -0.039 0.000 1.132 477 L CA -0.170 54.570 54.840 -0.167 0.000 0.850 477 L CB -0.544 41.200 42.059 -0.525 0.000 0.966 477 L HN 0.362 nan 8.230 nan 0.000 0.454 478 H N 1.912 120.990 119.070 0.014 0.000 2.871 478 H HA 0.053 4.614 4.556 0.009 0.000 0.355 478 H C -0.240 174.997 175.328 -0.152 0.000 1.092 478 H CA 0.446 56.436 56.048 -0.096 0.000 1.420 478 H CB 0.802 30.490 29.762 -0.123 0.000 1.400 478 H HN 0.081 nan 8.280 nan 0.000 0.604 479 Q N 4.017 123.442 119.800 -0.625 0.000 2.256 479 Q HA 0.245 4.590 4.340 0.009 0.000 0.257 479 Q C -0.955 174.673 176.000 -0.619 0.000 0.936 479 Q CA -0.434 55.135 55.803 -0.390 0.000 0.903 479 Q CB 1.514 30.111 28.738 -0.235 0.000 1.263 479 Q HN 0.502 nan 8.270 nan 0.000 0.440 480 Y N -0.236 119.802 120.300 -0.435 0.000 2.605 480 Y HA 0.431 4.986 4.550 0.009 0.000 0.343 480 Y C 0.251 175.565 175.900 -0.977 0.000 1.036 480 Y CA -0.985 56.706 58.100 -0.683 0.000 1.065 480 Y CB 1.908 39.838 38.460 -0.882 0.000 1.288 480 Y HN 0.519 nan 8.280 nan 0.000 0.481 481 E N 0.268 120.157 120.200 -0.518 0.000 2.408 481 E HA 0.501 4.856 4.350 0.009 0.000 0.275 481 E C -2.248 174.432 176.600 0.134 0.000 0.935 481 E CA -1.121 55.134 56.400 -0.241 0.000 0.775 481 E CB 3.077 32.734 29.700 -0.071 0.000 1.277 481 E HN 0.573 nan 8.360 nan 0.000 0.455 482 Y N 1.805 122.274 120.300 0.282 0.000 2.373 482 Y HA 0.419 4.975 4.550 0.009 0.000 0.336 482 Y C -2.829 173.194 175.900 0.206 0.000 0.979 482 Y CA -2.281 56.013 58.100 0.322 0.000 1.080 482 Y CB 2.176 40.904 38.460 0.447 0.000 1.190 482 Y HN 0.415 nan 8.280 nan 0.000 0.446 483 P HA 0.252 nan 4.420 nan 0.000 0.274 483 P C -0.773 176.527 177.300 -0.000 0.000 1.237 483 P CA -0.158 62.654 63.100 -0.481 0.000 0.793 483 P CB 1.174 32.611 31.700 -0.439 0.000 0.977 484 A N 3.571 126.494 122.820 0.173 0.000 2.386 484 A HA 0.368 4.693 4.320 0.009 0.000 0.248 484 A C -2.065 175.653 177.584 0.224 0.000 1.082 484 A CA -1.393 50.789 52.037 0.241 0.000 0.789 484 A CB -1.520 17.684 19.000 0.340 0.000 1.025 484 A HN 0.405 nan 8.150 nan 0.000 0.490 485 P HA 0.154 nan 4.420 nan 0.000 0.258 485 P C 1.069 178.373 177.300 0.007 0.000 1.172 485 P CA 2.184 65.325 63.100 0.068 0.000 0.762 485 P CB 0.299 32.031 31.700 0.053 0.000 0.764 486 G N 1.619 110.389 108.800 -0.050 0.000 2.267 486 G HA2 -0.298 3.667 3.960 0.009 0.000 0.257 486 G HA3 -0.298 3.667 3.960 0.009 0.000 0.257 486 G C 0.085 174.843 174.900 -0.236 0.000 0.998 486 G CA -0.268 44.731 45.100 -0.167 0.000 0.620 486 G HN 0.447 nan 8.290 nan 0.000 0.529 487 Y N 0.866 121.187 120.300 0.035 0.000 2.340 487 Y HA 0.641 5.196 4.550 0.009 0.000 0.327 487 Y C 1.088 177.010 175.900 0.036 0.000 1.321 487 Y CA 0.261 58.392 58.100 0.051 0.000 1.433 487 Y CB 1.260 39.762 38.460 0.070 0.000 1.373 487 Y HN 0.196 nan 8.280 nan 0.000 0.538 488 S N 0.283 116.149 115.700 0.277 0.000 2.593 488 S HA 0.396 4.871 4.470 0.009 0.000 0.297 488 S C -0.753 173.912 174.600 0.108 0.000 1.112 488 S CA -0.970 57.329 58.200 0.165 0.000 1.043 488 S CB 0.533 63.868 63.200 0.224 0.000 1.054 488 S HN 0.517 nan 8.310 nan 0.000 0.516 489 K N 2.110 122.517 120.400 0.013 0.000 2.276 489 K HA 0.209 4.534 4.320 0.009 0.000 0.259 489 K C -0.059 176.606 176.600 0.108 0.000 1.001 489 K CA -0.463 55.838 56.287 0.023 0.000 0.927 489 K CB 0.189 32.672 32.500 -0.029 0.000 0.969 489 K HN 0.489 nan 8.250 nan 0.000 0.490 490 I N 3.038 123.732 120.570 0.206 0.000 2.618 490 I HA -0.058 4.117 4.170 0.009 0.000 0.284 490 I C 1.222 177.358 176.117 0.031 0.000 1.146 490 I CA 0.629 61.984 61.300 0.092 0.000 1.425 490 I CB 0.546 38.539 38.000 -0.010 0.000 1.383 490 I HN 0.583 nan 8.210 nan 0.000 0.562 491 K N 4.929 125.350 120.400 0.035 0.000 2.424 491 K HA 0.314 4.640 4.320 0.009 0.000 0.198 491 K C 0.281 176.974 176.600 0.155 0.000 1.190 491 K CA 0.442 56.746 56.287 0.029 0.000 0.935 491 K CB 0.856 33.308 32.500 -0.079 0.000 1.087 491 K HN 0.546 nan 8.250 nan 0.000 0.524 492 M N 0.059 119.782 119.600 0.206 0.000 2.530 492 M HA 0.416 4.901 4.480 0.009 0.000 0.307 492 M C -1.743 174.758 176.300 0.335 0.000 1.161 492 M CA -0.731 54.751 55.300 0.303 0.000 0.903 492 M CB 2.197 35.021 32.600 0.372 0.000 1.711 492 M HN -0.029 nan 8.290 nan 0.000 0.451 493 F N 4.782 124.812 119.950 0.134 0.000 2.553 493 F HA 0.364 4.896 4.527 0.009 0.000 0.335 493 F C -1.780 174.124 175.800 0.173 0.000 1.148 493 F CA -0.710 57.377 58.000 0.146 0.000 0.963 493 F CB 1.120 40.166 39.000 0.075 0.000 1.217 493 F HN 0.683 nan 8.300 nan 0.000 0.441 494 W N 9.051 130.612 121.300 0.434 0.000 2.295 494 W HA 0.356 5.021 4.660 0.009 0.000 0.333 494 W C -1.099 175.505 176.519 0.141 0.000 0.990 494 W CA -1.035 56.417 57.345 0.178 0.000 1.453 494 W CB 0.866 30.451 29.460 0.209 0.000 1.263 494 W HN 0.494 nan 8.180 nan 0.000 0.380 495 K N 4.010 124.528 120.400 0.196 0.000 2.174 495 K HA 0.135 4.461 4.320 0.009 0.000 0.275 495 K C -1.346 175.421 176.600 0.278 0.000 1.015 495 K CA -0.684 55.626 56.287 0.040 0.000 0.933 495 K CB 1.748 34.022 32.500 -0.377 0.000 1.025 495 K HN 0.295 nan 8.250 nan 0.000 0.463 496 Y N 1.665 122.005 120.300 0.068 0.000 2.388 496 Y HA 0.341 4.896 4.550 0.009 0.000 0.328 496 Y C 0.217 176.069 175.900 -0.079 0.000 0.963 496 Y CA 0.491 58.612 58.100 0.036 0.000 1.240 496 Y CB 0.914 39.351 38.460 -0.039 0.000 1.118 496 Y HN 0.918 nan 8.280 nan 0.000 0.484 497 G N 2.965 111.691 108.800 -0.123 0.000 2.796 497 G HA2 0.197 4.162 3.960 0.009 0.000 0.571 497 G HA3 0.197 4.162 3.960 0.009 0.000 0.571 497 G C -0.080 174.715 174.900 -0.176 0.000 1.370 497 G CA -0.335 44.683 45.100 -0.136 0.000 0.856 497 G HN 1.538 nan 8.290 nan 0.000 0.538 498 G N -1.180 107.503 108.800 -0.195 0.000 4.485 498 G HA2 0.711 4.676 3.960 0.009 0.000 0.238 498 G HA3 0.711 4.676 3.960 0.009 0.000 0.238 498 G C -1.309 173.458 174.900 -0.221 0.000 1.216 498 G CA 0.775 45.730 45.100 -0.242 0.000 0.611 498 G HN 0.760 nan 8.290 nan 0.000 0.422 499 P HA 0.044 nan 4.420 nan 0.000 0.259 499 P C 0.957 178.167 177.300 -0.151 0.000 1.233 499 P CA 0.319 63.316 63.100 -0.172 0.000 0.827 499 P CB 0.304 31.929 31.700 -0.125 0.000 1.154 500 H N 0.315 119.213 119.070 -0.287 0.000 2.466 500 H HA -0.089 4.472 4.556 0.009 0.000 0.297 500 H C 1.937 176.933 175.328 -0.553 0.000 1.113 500 H CA 0.564 56.317 56.048 -0.493 0.000 1.273 500 H CB -0.391 28.996 29.762 -0.625 0.000 1.371 500 H HN 0.103 nan 8.280 nan 0.000 0.528 501 L N -0.375 120.682 121.223 -0.277 0.000 2.191 501 L HA -0.095 4.250 4.340 0.009 0.000 0.212 501 L C 2.467 179.167 176.870 -0.284 0.000 1.103 501 L CA 1.066 55.710 54.840 -0.326 0.000 0.769 501 L CB 0.003 41.815 42.059 -0.412 0.000 0.908 501 L HN 0.340 nan 8.230 nan 0.000 0.438 502 G N -2.112 106.540 108.800 -0.247 0.000 3.192 502 G HA2 -0.014 3.951 3.960 0.009 0.000 0.239 502 G HA3 -0.014 3.951 3.960 0.009 0.000 0.239 502 G C 1.280 176.044 174.900 -0.226 0.000 1.084 502 G CA 0.738 45.693 45.100 -0.243 0.000 0.784 502 G HN 0.365 nan 8.290 nan 0.000 0.540 503 T N -3.254 111.156 114.554 -0.239 0.000 2.975 503 T HA 0.378 4.733 4.350 0.009 0.000 0.257 503 T C 1.410 175.944 174.700 -0.276 0.000 1.003 503 T CA -0.199 61.757 62.100 -0.241 0.000 0.932 503 T CB 0.306 69.029 68.868 -0.241 0.000 1.087 503 T HN -0.093 nan 8.240 nan 0.000 0.512 504 M N 2.819 122.199 119.600 -0.366 0.000 2.312 504 M HA 0.464 4.950 4.480 0.009 0.000 0.214 504 M C 0.555 176.734 176.300 -0.202 0.000 0.803 504 M CA -0.073 55.008 55.300 -0.366 0.000 1.831 504 M CB -0.035 32.143 32.600 -0.703 0.000 1.114 504 M HN 0.329 nan 8.290 nan 0.000 0.892 505 T N -2.258 112.230 114.554 -0.110 0.000 2.887 505 T HA 0.703 5.058 4.350 0.009 0.000 0.288 505 T C 0.090 174.782 174.700 -0.012 0.000 1.021 505 T CA -0.339 61.733 62.100 -0.045 0.000 1.000 505 T CB 1.525 70.385 68.868 -0.012 0.000 1.034 505 T HN 0.878 nan 8.240 nan 0.000 0.467 506 A N 1.930 124.725 122.820 -0.041 0.000 2.409 506 A HA -0.190 4.135 4.320 0.009 0.000 0.290 506 A C 1.616 179.187 177.584 -0.022 0.000 1.440 506 A CA 1.228 53.234 52.037 -0.051 0.000 0.775 506 A CB -2.548 16.422 19.000 -0.049 0.000 1.069 506 A HN 1.952 nan 8.150 nan 0.000 0.389 507 T N -1.881 112.655 114.554 -0.030 0.000 2.969 507 T HA -0.194 4.161 4.350 0.009 0.000 0.271 507 T C 1.412 176.108 174.700 -0.008 0.000 1.127 507 T CA 1.372 63.486 62.100 0.023 0.000 1.102 507 T CB -0.434 68.339 68.868 -0.158 0.000 0.855 507 T HN 0.601 nan 8.240 nan 0.000 0.536 508 N N 2.181 120.844 118.700 -0.061 0.000 2.272 508 N HA -0.109 4.637 4.740 0.009 0.000 0.185 508 N C 2.113 177.595 175.510 -0.046 0.000 1.014 508 N CA 1.355 54.371 53.050 -0.056 0.000 0.870 508 N CB -0.349 38.117 38.487 -0.035 0.000 0.975 508 N HN 0.772 nan 8.380 nan 0.000 0.433 509 R N -0.566 119.895 120.500 -0.065 0.000 2.148 509 R HA -0.101 4.245 4.340 0.009 0.000 0.227 509 R C 1.235 177.377 176.300 -0.263 0.000 1.103 509 R CA 1.031 57.032 56.100 -0.165 0.000 0.983 509 R CB -0.805 29.351 30.300 -0.241 0.000 0.874 509 R HN 0.248 nan 8.270 nan 0.000 0.451 510 Y N 1.231 121.402 120.300 -0.214 0.000 2.439 510 Y HA 0.060 4.615 4.550 0.009 0.000 0.292 510 Y C 2.688 178.423 175.900 -0.275 0.000 1.130 510 Y CA 1.081 59.037 58.100 -0.240 0.000 1.254 510 Y CB -0.045 38.306 38.460 -0.182 0.000 1.000 510 Y HN 0.258 nan 8.280 nan 0.000 0.554 511 A N -0.061 122.672 122.820 -0.144 0.000 1.935 511 A HA -0.077 4.248 4.320 0.009 0.000 0.214 511 A C 2.104 179.631 177.584 -0.095 0.000 1.178 511 A CA 0.951 52.832 52.037 -0.260 0.000 0.640 511 A CB -0.237 18.712 19.000 -0.085 0.000 0.825 511 A HN 0.300 nan 8.150 nan 0.000 0.447 512 K N 0.054 120.424 120.400 -0.049 0.000 2.148 512 K HA -0.129 4.196 4.320 0.009 0.000 0.204 512 K C 2.145 178.726 176.600 -0.031 0.000 1.050 512 K CA 1.631 57.919 56.287 0.002 0.000 0.942 512 K CB -0.411 32.084 32.500 -0.009 0.000 0.724 512 K HN 0.789 nan 8.250 nan 0.000 0.446 513 M N -1.073 118.424 119.600 -0.172 0.000 2.213 513 M HA -0.158 4.327 4.480 0.009 0.000 0.263 513 M C 1.363 177.568 176.300 -0.159 0.000 1.062 513 M CA 1.688 56.848 55.300 -0.234 0.000 1.105 513 M CB -0.783 31.556 32.600 -0.436 0.000 1.385 513 M HN -0.014 nan 8.290 nan 0.000 0.417 514 Y N 2.358 122.612 120.300 -0.077 0.000 2.333 514 Y HA -0.138 4.417 4.550 0.009 0.000 0.290 514 Y C 2.792 178.754 175.900 0.102 0.000 1.144 514 Y CA 1.907 60.009 58.100 0.003 0.000 1.228 514 Y CB -0.545 37.868 38.460 -0.078 0.000 0.985 514 Y HN 0.544 nan 8.280 nan 0.000 0.542 515 T N -3.388 111.314 114.554 0.246 0.000 3.107 515 T HA -0.037 4.318 4.350 0.009 0.000 0.249 515 T C 0.549 175.342 174.700 0.155 0.000 1.096 515 T CA -0.152 62.070 62.100 0.203 0.000 1.012 515 T CB -0.460 68.519 68.868 0.184 0.000 0.977 515 T HN 0.246 nan 8.240 nan 0.000 0.527 516 H N 3.199 122.305 119.070 0.061 0.000 2.964 516 H HA 0.025 4.586 4.556 0.009 0.000 0.328 516 H C 0.641 176.006 175.328 0.060 0.000 1.030 516 H CA 0.700 56.770 56.048 0.038 0.000 1.445 516 H CB 0.966 30.724 29.762 -0.006 0.000 1.449 516 H HN 0.351 nan 8.280 nan 0.000 0.581 517 D N 2.152 122.378 120.400 -0.291 0.000 2.378 517 D HA -0.172 4.473 4.640 0.009 0.000 0.222 517 D C 1.588 177.898 176.300 0.018 0.000 0.980 517 D CA 0.952 54.892 54.000 -0.100 0.000 0.907 517 D CB -0.203 40.520 40.800 -0.128 0.000 0.899 517 D HN 0.415 nan 8.370 nan 0.000 0.527 518 S N -0.336 115.459 115.700 0.159 0.000 2.461 518 S HA -0.014 4.461 4.470 0.009 0.000 0.228 518 S C 1.119 175.820 174.600 0.170 0.000 1.005 518 S CA -0.320 58.013 58.200 0.222 0.000 0.942 518 S CB -0.510 62.904 63.200 0.358 0.000 0.776 518 S HN 0.254 nan 8.310 nan 0.000 0.514 519 L N 2.544 123.884 121.223 0.194 0.000 2.363 519 L HA 0.249 4.594 4.340 0.009 0.000 0.286 519 L C 1.051 178.043 176.870 0.204 0.000 1.106 519 L CA -0.185 54.761 54.840 0.176 0.000 0.859 519 L CB 0.647 42.813 42.059 0.177 0.000 1.223 519 L HN 0.379 nan 8.230 nan 0.000 0.446 520 E N 3.240 123.572 120.200 0.221 0.000 2.216 520 E HA -0.025 4.331 4.350 0.009 0.000 0.192 520 E C -0.369 176.487 176.600 0.427 0.000 0.988 520 E CA 0.684 57.255 56.400 0.285 0.000 0.834 520 E CB 0.438 30.286 29.700 0.247 0.000 0.772 520 E HN 0.298 nan 8.360 nan 0.000 0.479 521 F N 0.177 120.215 119.950 0.146 0.000 2.628 521 F HA 0.345 4.877 4.527 0.009 0.000 0.309 521 F C -1.708 174.126 175.800 0.057 0.000 1.108 521 F CA -1.320 56.716 58.000 0.060 0.000 0.971 521 F CB 1.714 40.785 39.000 0.119 0.000 1.279 521 F HN -0.413 nan 8.300 nan 0.000 0.441 522 V N 5.827 125.351 119.914 -0.650 0.000 2.569 522 V HA 0.595 4.720 4.120 0.009 0.000 0.301 522 V C -1.106 174.480 176.094 -0.847 0.000 1.044 522 V CA -0.789 61.209 62.300 -0.503 0.000 0.874 522 V CB 1.720 33.462 31.823 -0.135 0.000 1.002 522 V HN 0.616 nan 8.190 nan 0.000 0.424 523 V N 3.098 122.576 119.914 -0.728 0.000 2.555 523 V HA 0.660 4.785 4.120 0.009 0.000 0.302 523 V C 0.064 175.939 176.094 -0.365 0.000 1.038 523 V CA -0.455 61.450 62.300 -0.657 0.000 0.887 523 V CB 2.047 33.350 31.823 -0.865 0.000 0.991 523 V HN 0.808 nan 8.190 nan 0.000 0.434 524 S N 3.203 118.741 115.700 -0.269 0.000 2.596 524 S HA 0.400 4.876 4.470 0.009 0.000 0.318 524 S C -0.631 173.911 174.600 -0.098 0.000 1.097 524 S CA -0.541 57.559 58.200 -0.166 0.000 1.080 524 S CB 1.025 64.094 63.200 -0.218 0.000 0.991 524 S HN 0.829 nan 8.310 nan 0.000 0.471 525 Q N 3.885 123.700 119.800 0.025 0.000 2.466 525 Q HA 0.580 4.925 4.340 0.009 0.000 0.242 525 Q C -0.942 174.930 176.000 -0.212 0.000 1.046 525 Q CA -0.198 55.615 55.803 0.018 0.000 0.841 525 Q CB 0.449 29.369 28.738 0.303 0.000 1.193 525 Q HN 0.684 nan 8.270 nan 0.000 0.508 526 S N 2.629 118.193 115.700 -0.225 0.000 2.794 526 S HA 0.517 4.992 4.470 0.009 0.000 0.299 526 S C 0.515 174.929 174.600 -0.310 0.000 1.179 526 S CA -0.720 57.306 58.200 -0.290 0.000 0.838 526 S CB 0.920 63.989 63.200 -0.217 0.000 1.206 526 S HN 0.649 nan 8.310 nan 0.000 0.523 527 I N -0.746 119.591 120.570 -0.389 0.000 2.947 527 I HA 0.209 4.384 4.170 0.009 0.000 0.263 527 I C -0.187 175.508 176.117 -0.703 0.000 1.130 527 I CA 0.540 61.429 61.300 -0.684 0.000 1.448 527 I CB 0.258 37.520 38.000 -1.230 0.000 1.222 527 I HN 0.315 nan 8.210 nan 0.000 0.453 528 W N 0.715 121.956 121.300 -0.098 0.000 2.573 528 W HA 0.281 4.947 4.660 0.009 0.000 0.326 528 W C -0.706 175.760 176.519 -0.088 0.000 1.049 528 W CA -1.114 56.192 57.345 -0.066 0.000 1.220 528 W CB 1.199 30.614 29.460 -0.075 0.000 1.373 528 W HN -0.154 nan 8.180 nan 0.000 0.507 529 F N 4.976 124.903 119.950 -0.038 0.000 2.512 529 F HA 0.124 4.656 4.527 0.009 0.000 0.350 529 F C 0.411 176.090 175.800 -0.201 0.000 1.212 529 F CA 0.562 58.383 58.000 -0.297 0.000 1.099 529 F CB -0.173 38.440 39.000 -0.645 0.000 1.238 529 F HN 0.406 nan 8.300 nan 0.000 0.600 530 E N 2.760 122.696 120.200 -0.440 0.000 2.402 530 E HA 0.579 4.934 4.350 0.009 0.000 0.270 530 E C 0.428 176.850 176.600 -0.298 0.000 1.131 530 E CA -0.792 55.415 56.400 -0.321 0.000 0.884 530 E CB 0.220 29.856 29.700 -0.108 0.000 1.564 530 E HN 0.664 nan 8.360 nan 0.000 0.456 531 G N 1.174 109.875 108.800 -0.165 0.000 2.685 531 G HA2 -0.443 3.522 3.960 0.009 0.000 0.329 531 G HA3 -0.443 3.522 3.960 0.009 0.000 0.329 531 G C 0.651 175.515 174.900 -0.062 0.000 1.271 531 G CA 0.977 46.023 45.100 -0.089 0.000 1.003 531 G HN 0.705 nan 8.290 nan 0.000 0.549 532 E N 0.369 120.512 120.200 -0.095 0.000 2.435 532 E HA 0.184 4.539 4.350 0.009 0.000 0.195 532 E C 2.623 179.134 176.600 -0.148 0.000 1.029 532 E CA 0.533 56.911 56.400 -0.036 0.000 0.865 532 E CB 0.068 29.700 29.700 -0.114 0.000 0.833 532 E HN 0.325 nan 8.360 nan 0.000 0.510 533 V N 1.539 121.265 119.914 -0.314 0.000 2.380 533 V HA -0.200 3.926 4.120 0.009 0.000 0.251 533 V C -1.040 174.722 176.094 -0.554 0.000 1.063 533 V CA 1.637 63.668 62.300 -0.448 0.000 1.055 533 V CB -1.299 30.196 31.823 -0.546 0.000 0.657 533 V HN 0.199 nan 8.190 nan 0.000 0.455 534 P HA 0.033 nan 4.420 nan 0.000 0.258 534 P C 0.583 177.635 177.300 -0.413 0.000 1.319 534 P CA 0.946 63.694 63.100 -0.587 0.000 0.785 534 P CB -0.353 30.909 31.700 -0.729 0.000 1.252 535 F N -1.233 118.524 119.950 -0.320 0.000 2.724 535 F HA 0.332 4.864 4.527 0.009 0.000 0.306 535 F C 1.501 177.133 175.800 -0.281 0.000 1.100 535 F CA -0.374 57.391 58.000 -0.393 0.000 1.255 535 F CB -0.122 38.248 39.000 -1.051 0.000 1.072 535 F HN -0.198 nan 8.300 nan 0.000 0.589 536 A N 0.307 123.088 122.820 -0.066 0.000 2.366 536 A HA 0.171 4.496 4.320 0.009 0.000 0.249 536 A C 0.859 178.437 177.584 -0.011 0.000 1.084 536 A CA -0.152 51.827 52.037 -0.097 0.000 0.794 536 A CB 0.208 19.097 19.000 -0.184 0.000 1.034 536 A HN 0.197 nan 8.150 nan 0.000 0.491 537 D N -0.428 119.826 120.400 -0.244 0.000 2.216 537 D HA 0.118 4.763 4.640 0.009 0.000 0.208 537 D C 0.143 176.384 176.300 -0.098 0.000 0.960 537 D CA 1.157 54.948 54.000 -0.349 0.000 0.861 537 D CB 0.220 40.434 40.800 -0.977 0.000 0.985 537 D HN 0.307 nan 8.370 nan 0.000 0.493 538 I N 1.373 121.850 120.570 -0.155 0.000 2.533 538 I HA 0.342 4.517 4.170 0.009 0.000 0.290 538 I C -0.463 175.581 176.117 -0.123 0.000 1.056 538 I CA -0.580 60.698 61.300 -0.037 0.000 1.057 538 I CB 2.362 40.385 38.000 0.037 0.000 1.240 538 I HN -0.240 nan 8.210 nan 0.000 0.423 539 I N 6.356 126.865 120.570 -0.102 0.000 2.433 539 I HA 0.463 4.639 4.170 0.009 0.000 0.292 539 I C -0.710 175.288 176.117 -0.199 0.000 1.001 539 I CA -0.679 60.517 61.300 -0.173 0.000 1.119 539 I CB 2.170 40.031 38.000 -0.231 0.000 1.289 539 I HN 0.231 nan 8.210 nan 0.000 0.438 540 L N 7.337 128.457 121.223 -0.172 0.000 2.325 540 L HA 0.486 4.831 4.340 0.009 0.000 0.281 540 L C -2.580 174.235 176.870 -0.091 0.000 1.004 540 L CA -1.915 52.810 54.840 -0.191 0.000 0.823 540 L CB 1.706 43.797 42.059 0.053 0.000 1.236 540 L HN 0.239 nan 8.230 nan 0.000 0.415 541 P HA 0.193 nan 4.420 nan 0.000 0.275 541 P C -0.726 176.650 177.300 0.127 0.000 1.276 541 P CA 0.001 63.101 63.100 0.000 0.000 0.782 541 P CB 1.090 32.795 31.700 0.009 0.000 0.851 542 A N 3.322 126.108 122.820 -0.057 0.000 2.294 542 A HA 0.658 4.984 4.320 0.009 0.000 0.330 542 A C 0.354 177.841 177.584 -0.161 0.000 1.133 542 A CA -0.447 51.536 52.037 -0.090 0.000 0.836 542 A CB 0.552 19.431 19.000 -0.203 0.000 1.190 542 A HN 0.692 nan 8.150 nan 0.000 0.492 543 C N 0.163 119.400 119.300 -0.105 0.000 2.407 543 C HA 0.909 5.374 4.460 0.009 0.000 0.366 543 C C 0.945 175.884 174.990 -0.086 0.000 1.213 543 C CA 0.046 59.000 59.018 -0.108 0.000 2.011 543 C CB 0.533 28.259 27.740 -0.024 0.000 2.306 543 C HN 1.154 nan 8.230 nan 0.000 0.527 544 T N -0.159 114.382 114.554 -0.022 0.000 2.788 544 T HA 0.205 4.560 4.350 0.009 0.000 0.280 544 T C 1.188 176.005 174.700 0.195 0.000 0.984 544 T CA 0.146 62.338 62.100 0.153 0.000 0.972 544 T CB 0.399 69.510 68.868 0.404 0.000 1.039 544 T HN 0.899 nan 8.240 nan 0.000 0.530 545 N N 0.127 118.969 118.700 0.237 0.000 2.520 545 N HA -0.099 4.646 4.740 0.009 0.000 0.185 545 N C 1.070 176.569 175.510 -0.019 0.000 1.068 545 N CA 0.834 53.939 53.050 0.091 0.000 0.911 545 N CB -0.569 37.940 38.487 0.036 0.000 0.961 545 N HN 0.617 nan 8.380 nan 0.000 0.446 546 F N 0.999 120.984 119.950 0.057 0.000 2.748 546 F HA 0.146 4.678 4.527 0.009 0.000 0.299 546 F C 1.345 177.113 175.800 -0.053 0.000 1.154 546 F CA 0.399 58.404 58.000 0.008 0.000 1.446 546 F CB 0.124 39.160 39.000 0.059 0.000 1.112 546 F HN 0.065 nan 8.300 nan 0.000 0.584 547 E N 0.151 120.412 120.200 0.102 0.000 2.548 547 E HA 0.165 4.520 4.350 0.009 0.000 0.206 547 E C 0.193 176.763 176.600 -0.051 0.000 1.005 547 E CA -0.205 56.205 56.400 0.016 0.000 0.951 547 E CB 0.414 30.138 29.700 0.041 0.000 1.035 547 E HN 0.343 nan 8.360 nan 0.000 0.470 548 R N -0.951 119.494 120.500 -0.093 0.000 2.752 548 R HA 0.432 4.777 4.340 0.009 0.000 0.271 548 R C -1.572 174.652 176.300 -0.128 0.000 1.026 548 R CA -1.029 55.023 56.100 -0.081 0.000 0.901 548 R CB 0.572 30.917 30.300 0.075 0.000 1.243 548 R HN -0.117 nan 8.270 nan 0.000 0.463 549 W N 0.773 122.150 121.300 0.130 0.000 2.316 549 W HA 0.478 5.143 4.660 0.009 0.000 0.321 549 W C 0.182 176.783 176.519 0.136 0.000 1.203 549 W CA 0.557 57.995 57.345 0.155 0.000 1.214 549 W CB 0.998 30.583 29.460 0.208 0.000 1.169 549 W HN 0.499 nan 8.180 nan 0.000 0.561 550 D N 0.767 121.412 120.400 0.409 0.000 2.851 550 D HA 0.515 5.161 4.640 0.009 0.000 0.339 550 D C -1.755 174.725 176.300 0.300 0.000 1.347 550 D CA -0.668 53.488 54.000 0.259 0.000 0.888 550 D CB 1.777 42.661 40.800 0.141 0.000 1.431 550 D HN 0.356 nan 8.370 nan 0.000 0.509 551 I N 0.230 120.912 120.570 0.187 0.000 2.842 551 I HA 0.546 4.722 4.170 0.009 0.000 0.297 551 I C -1.566 174.653 176.117 0.169 0.000 1.380 551 I CA -0.019 61.456 61.300 0.292 0.000 1.018 551 I CB 1.657 39.916 38.000 0.431 0.000 1.311 551 I HN 0.609 nan 8.210 nan 0.000 0.439 552 S N 3.992 119.866 115.700 0.290 0.000 2.656 552 S HA 0.474 4.949 4.470 0.009 0.000 0.265 552 S C -1.522 173.263 174.600 0.309 0.000 1.132 552 S CA -0.896 57.459 58.200 0.259 0.000 0.819 552 S CB 1.743 64.937 63.200 -0.011 0.000 1.119 552 S HN 0.808 nan 8.310 nan 0.000 0.476 553 E N 0.115 120.552 120.200 0.395 0.000 2.238 553 E HA 0.496 4.852 4.350 0.009 0.000 0.267 553 E C -1.267 175.713 176.600 0.634 0.000 0.887 553 E CA -0.960 55.638 56.400 0.331 0.000 0.769 553 E CB 1.015 30.854 29.700 0.231 0.000 1.187 553 E HN 0.533 nan 8.360 nan 0.000 0.416 554 F N 3.712 123.847 119.950 0.308 0.000 2.539 554 F HA 0.065 4.598 4.527 0.009 0.000 0.393 554 F C 0.916 176.897 175.800 0.301 0.000 1.032 554 F CA 1.005 59.149 58.000 0.240 0.000 1.120 554 F CB -0.866 38.228 39.000 0.158 0.000 1.014 554 F HN 0.744 nan 8.300 nan 0.000 0.546 555 A N 3.788 126.980 122.820 0.619 0.000 2.945 555 A HA -0.330 3.995 4.320 0.009 0.000 0.263 555 A C 0.854 178.799 177.584 0.601 0.000 1.293 555 A CA 1.071 53.380 52.037 0.454 0.000 0.944 555 A CB -2.593 16.506 19.000 0.165 0.000 1.093 555 A HN 0.767 nan 8.150 nan 0.000 0.786 556 N N -0.237 118.861 118.700 0.663 0.000 2.399 556 N HA 0.279 5.025 4.740 0.009 0.000 0.259 556 N C 0.913 176.522 175.510 0.165 0.000 1.160 556 N CA 0.456 53.763 53.050 0.428 0.000 0.946 556 N CB 0.485 39.233 38.487 0.435 0.000 1.156 556 N HN 0.659 nan 8.380 nan 0.000 0.489 557 C N 2.769 122.077 119.300 0.013 0.000 2.543 557 C HA 0.263 4.728 4.460 0.009 0.000 0.289 557 C C 1.444 176.126 174.990 -0.514 0.000 1.368 557 C CA 1.195 59.880 59.018 -0.555 0.000 1.778 557 C CB -0.895 26.827 27.740 -0.031 0.000 2.155 557 C HN 0.891 nan 8.230 nan 0.000 0.529 558 S N -1.199 114.350 115.700 -0.252 0.000 3.486 558 S HA 0.096 4.572 4.470 0.009 0.000 0.632 558 S C 1.071 175.437 174.600 -0.391 0.000 2.553 558 S CA 2.075 60.089 58.200 -0.310 0.000 2.974 558 S CB -1.752 61.358 63.200 -0.151 0.000 0.320 558 S HN 2.628 nan 8.310 nan 0.000 1.613 559 G N 0.650 109.156 108.800 -0.491 0.000 2.646 559 G HA2 -0.371 3.594 3.960 0.009 0.000 0.324 559 G HA3 -0.371 3.594 3.960 0.009 0.000 0.324 559 G C 0.637 175.213 174.900 -0.540 0.000 1.195 559 G CA 1.236 46.092 45.100 -0.406 0.000 0.976 559 G HN 1.467 nan 8.290 nan 0.000 0.546 560 Y N 1.378 121.645 120.300 -0.055 0.000 2.553 560 Y HA 0.445 5.000 4.550 0.009 0.000 0.303 560 Y C 1.300 177.156 175.900 -0.074 0.000 1.194 560 Y CA 0.624 58.691 58.100 -0.054 0.000 1.305 560 Y CB 0.116 38.538 38.460 -0.062 0.000 1.045 560 Y HN 0.275 nan 8.280 nan 0.000 0.514 561 I N 0.105 120.616 120.570 -0.097 0.000 2.917 561 I HA 0.240 4.416 4.170 0.009 0.000 0.292 561 I C -2.819 173.048 176.117 -0.417 0.000 1.510 561 I CA -1.981 59.204 61.300 -0.192 0.000 0.858 561 I CB 0.873 38.824 38.000 -0.081 0.000 1.862 561 I HN -0.230 nan 8.210 nan 0.000 0.615 562 P HA -0.030 nan 4.420 nan 0.000 0.263 562 P C -0.107 176.886 177.300 -0.512 0.000 1.175 562 P CA 0.628 63.194 63.100 -0.890 0.000 0.761 562 P CB 0.265 31.230 31.700 -1.226 0.000 0.794 563 D N 1.314 121.511 120.400 -0.338 0.000 2.708 563 D HA -0.216 4.430 4.640 0.009 0.000 0.236 563 D C 0.525 176.309 176.300 -0.859 0.000 1.146 563 D CA 1.099 54.774 54.000 -0.542 0.000 0.662 563 D CB -1.723 38.888 40.800 -0.315 0.000 1.059 563 D HN 0.668 nan 8.370 nan 0.000 0.428 564 N N -0.570 117.828 118.700 -0.503 0.000 2.521 564 N HA -0.151 4.595 4.740 0.009 0.000 0.188 564 N C 1.703 177.060 175.510 -0.256 0.000 1.146 564 N CA 0.232 53.058 53.050 -0.373 0.000 0.893 564 N CB -0.429 37.935 38.487 -0.205 0.000 0.975 564 N HN 0.548 nan 8.380 nan 0.000 0.451 565 Y N -0.054 120.276 120.300 0.050 0.000 2.574 565 Y HA -0.050 4.505 4.550 0.009 0.000 0.294 565 Y C 1.909 177.831 175.900 0.037 0.000 1.142 565 Y CA 0.118 58.262 58.100 0.074 0.000 1.314 565 Y CB -0.700 37.856 38.460 0.161 0.000 0.991 565 Y HN 0.306 nan 8.280 nan 0.000 0.555 566 Q N 0.828 120.499 119.800 -0.216 0.000 2.557 566 Q HA 0.000 4.346 4.340 0.009 0.000 0.217 566 Q C 1.274 177.245 176.000 -0.048 0.000 0.978 566 Q CA 0.724 56.514 55.803 -0.022 0.000 0.950 566 Q CB -0.367 28.331 28.738 -0.066 0.000 0.991 566 Q HN 0.642 nan 8.270 nan 0.000 0.533 567 L N 0.052 121.221 121.223 -0.090 0.000 2.270 567 L HA 0.073 4.418 4.340 0.009 0.000 0.210 567 L C 0.722 177.518 176.870 -0.124 0.000 1.104 567 L CA -0.160 54.611 54.840 -0.115 0.000 0.804 567 L CB 0.243 42.217 42.059 -0.141 0.000 0.937 567 L HN 0.371 nan 8.230 nan 0.000 0.450 568 C N -0.511 118.704 119.300 -0.141 0.000 2.325 568 C HA 0.201 4.667 4.460 0.009 0.000 0.370 568 C C 1.699 176.734 174.990 0.075 0.000 1.217 568 C CA -0.920 57.995 59.018 -0.171 0.000 2.254 568 C CB 0.811 28.279 27.740 -0.454 0.000 2.282 568 C HN 0.342 nan 8.230 nan 0.000 0.564 569 N N 0.044 118.849 118.700 0.175 0.000 2.446 569 N HA 0.040 4.785 4.740 0.009 0.000 0.179 569 N C -0.319 175.206 175.510 0.025 0.000 1.054 569 N CA 0.887 54.085 53.050 0.247 0.000 0.905 569 N CB -0.069 38.546 38.487 0.213 0.000 0.973 569 N HN 0.737 nan 8.380 nan 0.000 0.448 570 H N -1.309 117.980 119.070 0.364 0.000 3.046 570 H HA 0.365 4.926 4.556 0.009 0.000 0.361 570 H C -0.536 174.937 175.328 0.241 0.000 1.235 570 H CA -0.688 55.557 56.048 0.328 0.000 1.146 570 H CB 1.305 31.290 29.762 0.373 0.000 1.859 570 H HN -0.210 nan 8.280 nan 0.000 0.548 571 R N 1.617 122.259 120.500 0.237 0.000 2.210 571 R HA 0.396 4.741 4.340 0.009 0.000 0.338 571 R C -0.926 175.425 176.300 0.085 0.000 1.062 571 R CA -0.497 55.678 56.100 0.125 0.000 0.902 571 R CB 0.604 30.868 30.300 -0.060 0.000 1.050 571 R HN 0.212 nan 8.270 nan 0.000 0.461 572 V N 6.187 126.233 119.914 0.220 0.000 2.357 572 V HA 0.352 4.477 4.120 0.009 0.000 0.284 572 V C 0.228 176.419 176.094 0.160 0.000 1.018 572 V CA -0.611 61.795 62.300 0.178 0.000 0.841 572 V CB 1.544 33.530 31.823 0.270 0.000 0.991 572 V HN 0.648 nan 8.190 nan 0.000 0.437 573 I N 5.105 125.742 120.570 0.112 0.000 2.312 573 I HA 0.510 4.685 4.170 0.009 0.000 0.290 573 I C 0.282 176.615 176.117 0.359 0.000 1.008 573 I CA 0.157 61.487 61.300 0.049 0.000 1.226 573 I CB 1.627 39.519 38.000 -0.180 0.000 1.371 573 I HN 0.745 nan 8.210 nan 0.000 0.468 574 S N 6.455 122.366 115.700 0.351 0.000 2.570 574 S HA 0.632 5.108 4.470 0.009 0.000 0.286 574 S C -0.815 174.023 174.600 0.396 0.000 1.099 574 S CA -0.931 57.493 58.200 0.374 0.000 0.913 574 S CB 2.262 65.568 63.200 0.175 0.000 1.085 574 S HN 0.463 nan 8.310 nan 0.000 0.480 575 L N 1.799 123.125 121.223 0.172 0.000 2.319 575 L HA 0.382 4.727 4.340 0.009 0.000 0.280 575 L C -0.135 176.809 176.870 0.125 0.000 1.099 575 L CA 0.218 55.164 54.840 0.177 0.000 0.828 575 L CB 0.615 42.568 42.059 -0.176 0.000 1.150 575 L HN 0.769 nan 8.230 nan 0.000 0.442 576 Q N 5.523 125.438 119.800 0.191 0.000 2.490 576 Q HA 0.446 4.791 4.340 0.009 0.000 0.226 576 Q C -0.096 175.950 176.000 0.078 0.000 1.132 576 Q CA -0.470 55.368 55.803 0.058 0.000 0.928 576 Q CB 0.814 29.576 28.738 0.040 0.000 1.299 576 Q HN 0.857 nan 8.270 nan 0.000 0.528 577 A N 2.795 125.609 122.820 -0.011 0.000 2.462 577 A HA 0.055 4.381 4.320 0.009 0.000 0.243 577 A C 0.184 177.441 177.584 -0.545 0.000 1.076 577 A CA -0.196 51.748 52.037 -0.155 0.000 0.773 577 A CB 0.281 19.225 19.000 -0.093 0.000 1.010 577 A HN 0.637 nan 8.150 nan 0.000 0.493 578 K N 2.755 122.330 120.400 -1.375 0.000 2.237 578 K HA 0.157 4.483 4.320 0.009 0.000 0.283 578 K C 0.421 176.704 176.600 -0.529 0.000 1.080 578 K CA -0.367 55.322 56.287 -0.997 0.000 0.965 578 K CB -0.352 31.267 32.500 -1.470 0.000 1.098 578 K HN 0.725 nan 8.250 nan 0.000 0.434 579 C N 4.614 123.780 119.300 -0.223 0.000 2.457 579 C HA 0.059 4.524 4.460 0.009 0.000 0.278 579 C C 1.244 176.235 174.990 0.002 0.000 1.309 579 C CA -0.102 58.886 59.018 -0.050 0.000 1.735 579 C CB -0.976 26.828 27.740 0.107 0.000 1.992 579 C HN 0.852 nan 8.230 nan 0.000 0.493 580 I N -3.159 117.417 120.570 0.010 0.000 3.191 580 I HA 0.562 4.737 4.170 0.009 0.000 0.313 580 I C -1.024 175.111 176.117 0.030 0.000 1.193 580 I CA -0.738 60.594 61.300 0.053 0.000 0.968 580 I CB 1.035 39.108 38.000 0.121 0.000 1.262 580 I HN -0.236 nan 8.210 nan 0.000 0.456 581 E N 2.200 122.435 120.200 0.059 0.000 2.383 581 E HA 0.336 4.691 4.350 0.009 0.000 0.264 581 E C -2.372 174.266 176.600 0.062 0.000 1.050 581 E CA -1.537 54.896 56.400 0.056 0.000 0.896 581 E CB 0.248 29.990 29.700 0.069 0.000 0.982 581 E HN 0.405 nan 8.360 nan 0.000 0.424 582 P HA -0.080 nan 4.420 nan 0.000 0.263 582 P C -0.476 176.864 177.300 0.066 0.000 1.175 582 P CA 0.211 63.341 63.100 0.049 0.000 0.761 582 P CB 0.390 32.118 31.700 0.046 0.000 0.794 583 V N 3.992 123.939 119.914 0.056 0.000 2.572 583 V HA 0.354 4.479 4.120 0.009 0.000 0.291 583 V C 1.400 177.532 176.094 0.062 0.000 1.039 583 V CA 1.261 63.606 62.300 0.075 0.000 1.055 583 V CB -0.162 31.702 31.823 0.068 0.000 0.969 583 V HN 1.064 nan 8.190 nan 0.000 0.482 584 G N 4.920 113.766 108.800 0.076 0.000 2.574 584 G HA2 -0.297 3.668 3.960 0.009 0.000 0.286 584 G HA3 -0.297 3.668 3.960 0.009 0.000 0.286 584 G C 0.416 175.395 174.900 0.133 0.000 1.212 584 G CA 0.609 45.761 45.100 0.086 0.000 0.979 584 G HN 0.721 nan 8.290 nan 0.000 0.557 585 E N 0.955 121.263 120.200 0.180 0.000 2.437 585 E HA 0.392 4.747 4.350 0.009 0.000 0.195 585 E C 1.133 177.985 176.600 0.420 0.000 1.029 585 E CA 0.433 57.016 56.400 0.305 0.000 0.948 585 E CB 0.040 29.951 29.700 0.352 0.000 1.082 585 E HN 0.672 nan 8.360 nan 0.000 0.456 586 S N 0.649 116.492 115.700 0.239 0.000 2.614 586 S HA 0.508 4.984 4.470 0.009 0.000 0.265 586 S C 0.112 174.806 174.600 0.157 0.000 1.303 586 S CA -0.693 57.648 58.200 0.234 0.000 1.000 586 S CB 0.990 64.224 63.200 0.057 0.000 0.935 586 S HN 0.248 nan 8.310 nan 0.000 0.551 587 M N -0.076 119.578 119.600 0.090 0.000 2.578 587 M HA 0.521 5.006 4.480 0.009 0.000 0.276 587 M C -0.482 175.799 176.300 -0.032 0.000 1.245 587 M CA -0.938 54.330 55.300 -0.054 0.000 0.871 587 M CB 1.720 34.143 32.600 -0.295 0.000 1.722 587 M HN 0.738 nan 8.290 nan 0.000 0.473 588 S N -0.144 115.560 115.700 0.007 0.000 2.563 588 S HA 0.052 4.527 4.470 0.009 0.000 0.284 588 S C 0.346 174.971 174.600 0.042 0.000 1.331 588 S CA 0.148 58.389 58.200 0.068 0.000 1.047 588 S CB 0.408 63.706 63.200 0.163 0.000 0.859 588 S HN 0.774 nan 8.310 nan 0.000 0.514 589 D N 0.886 121.327 120.400 0.069 0.000 2.158 589 D HA -0.175 4.470 4.640 0.009 0.000 0.197 589 D C 1.410 177.697 176.300 -0.022 0.000 0.995 589 D CA 1.782 55.762 54.000 -0.032 0.000 0.846 589 D CB -0.243 40.675 40.800 0.196 0.000 0.941 589 D HN 0.842 nan 8.370 nan 0.000 0.456 590 Y N 1.902 122.294 120.300 0.153 0.000 2.145 590 Y HA -0.187 4.368 4.550 0.009 0.000 0.286 590 Y C 2.248 178.299 175.900 0.252 0.000 1.145 590 Y CA 1.442 59.734 58.100 0.319 0.000 1.148 590 Y CB 0.123 38.770 38.460 0.312 0.000 0.981 590 Y HN -0.204 nan 8.280 nan 0.000 0.507 591 E N 0.394 120.708 120.200 0.191 0.000 2.204 591 E HA -0.152 4.203 4.350 0.009 0.000 0.194 591 E C 2.228 178.729 176.600 -0.165 0.000 0.989 591 E CA 1.172 57.590 56.400 0.030 0.000 0.824 591 E CB -0.201 29.521 29.700 0.036 0.000 0.756 591 E HN 0.637 nan 8.360 nan 0.000 0.477 592 I N -0.378 120.055 120.570 -0.229 0.000 2.233 592 I HA -0.264 3.911 4.170 0.009 0.000 0.243 592 I C 2.103 178.108 176.117 -0.186 0.000 1.093 592 I CA 1.019 62.142 61.300 -0.294 0.000 1.380 592 I CB -0.371 37.485 38.000 -0.240 0.000 1.067 592 I HN 0.106 nan 8.210 nan 0.000 0.413 593 Y N 0.414 120.589 120.300 -0.209 0.000 2.224 593 Y HA -0.221 4.334 4.550 0.009 0.000 0.289 593 Y C 2.833 178.404 175.900 -0.549 0.000 1.146 593 Y CA 0.742 58.435 58.100 -0.678 0.000 1.182 593 Y CB -0.203 37.752 38.460 -0.841 0.000 0.983 593 Y HN 0.054 nan 8.280 nan 0.000 0.524 594 R N 0.314 120.726 120.500 -0.146 0.000 2.096 594 R HA -0.186 4.159 4.340 0.009 0.000 0.235 594 R C 2.127 178.442 176.300 0.025 0.000 1.127 594 R CA 1.162 57.280 56.100 0.030 0.000 0.968 594 R CB -0.346 29.975 30.300 0.035 0.000 0.861 594 R HN 0.315 nan 8.270 nan 0.000 0.440 595 L N 0.031 121.209 121.223 -0.073 0.000 2.056 595 L HA -0.052 4.293 4.340 0.009 0.000 0.207 595 L C 1.668 178.500 176.870 -0.062 0.000 1.078 595 L CA 1.697 56.466 54.840 -0.118 0.000 0.749 595 L CB -0.567 41.323 42.059 -0.281 0.000 0.901 595 L HN 0.100 nan 8.230 nan 0.000 0.433 596 F N -0.229 119.731 119.950 0.017 0.000 2.171 596 F HA -0.168 4.365 4.527 0.009 0.000 0.300 596 F C 2.490 178.430 175.800 0.232 0.000 1.090 596 F CA 1.173 59.262 58.000 0.148 0.000 1.293 596 F CB -0.646 38.451 39.000 0.161 0.000 1.013 596 F HN 0.211 nan 8.300 nan 0.000 0.486 597 A N -0.086 122.964 122.820 0.384 0.000 1.940 597 A HA -0.263 4.062 4.320 0.009 0.000 0.219 597 A C 2.180 179.897 177.584 0.222 0.000 1.176 597 A CA 1.982 54.200 52.037 0.302 0.000 0.631 597 A CB -0.714 18.419 19.000 0.221 0.000 0.814 597 A HN 0.371 nan 8.150 nan 0.000 0.446 598 K N -0.053 120.453 120.400 0.176 0.000 2.025 598 K HA -0.122 4.203 4.320 0.009 0.000 0.207 598 K C 1.788 178.464 176.600 0.127 0.000 1.049 598 K CA 1.612 57.978 56.287 0.132 0.000 0.933 598 K CB -0.171 32.383 32.500 0.091 0.000 0.714 598 K HN 0.411 nan 8.250 nan 0.000 0.438 599 K N 0.319 120.803 120.400 0.140 0.000 2.439 599 K HA -0.022 4.303 4.320 0.009 0.000 0.197 599 K C 1.450 178.151 176.600 0.169 0.000 1.041 599 K CA 0.553 56.925 56.287 0.141 0.000 0.970 599 K CB 0.172 32.755 32.500 0.138 0.000 0.773 599 K HN 0.235 nan 8.250 nan 0.000 0.479 600 L N 0.312 121.654 121.223 0.198 0.000 2.640 600 L HA 0.094 4.439 4.340 0.009 0.000 0.230 600 L C 0.100 177.038 176.870 0.114 0.000 1.123 600 L CA -0.244 54.696 54.840 0.167 0.000 0.900 600 L CB -0.187 41.991 42.059 0.198 0.000 1.146 600 L HN 0.222 nan 8.230 nan 0.000 0.484 601 N N 1.285 120.054 118.700 0.115 0.000 2.747 601 N HA -0.233 4.512 4.740 0.009 0.000 0.249 601 N C 0.288 175.854 175.510 0.092 0.000 1.107 601 N CA 1.072 54.178 53.050 0.094 0.000 0.707 601 N CB -1.059 37.473 38.487 0.074 0.000 1.054 601 N HN 0.612 nan 8.380 nan 0.000 0.555 602 I N -3.954 116.686 120.570 0.117 0.000 3.817 602 I HA 0.284 4.459 4.170 0.009 0.000 0.322 602 I C 1.265 177.500 176.117 0.197 0.000 1.512 602 I CA -0.525 60.849 61.300 0.123 0.000 1.066 602 I CB 0.269 38.319 38.000 0.083 0.000 1.336 602 I HN 0.116 nan 8.210 nan 0.000 0.539 603 E N 2.235 122.556 120.200 0.202 0.000 2.058 603 E HA -0.319 4.037 4.350 0.009 0.000 0.194 603 E C 1.905 178.667 176.600 0.270 0.000 0.997 603 E CA 2.255 58.813 56.400 0.264 0.000 0.801 603 E CB 0.165 29.985 29.700 0.200 0.000 0.746 603 E HN 0.595 nan 8.360 nan 0.000 0.450 604 E N 0.256 120.568 120.200 0.186 0.000 2.058 604 E HA -0.212 4.144 4.350 0.009 0.000 0.194 604 E C 1.893 178.601 176.600 0.180 0.000 0.997 604 E CA 1.898 58.393 56.400 0.158 0.000 0.801 604 E CB -0.187 29.576 29.700 0.105 0.000 0.746 604 E HN 0.303 nan 8.360 nan 0.000 0.450 605 M N -0.571 119.133 119.600 0.173 0.000 2.159 605 M HA 0.017 4.502 4.480 0.009 0.000 0.263 605 M C 1.949 178.403 176.300 0.256 0.000 1.063 605 M CA 1.286 56.686 55.300 0.167 0.000 1.110 605 M CB -0.703 31.965 32.600 0.112 0.000 1.374 605 M HN 0.214 nan 8.290 nan 0.000 0.411 606 F N 0.563 120.618 119.950 0.174 0.000 2.074 606 F HA -0.134 4.399 4.527 0.009 0.000 0.293 606 F C 2.582 178.616 175.800 0.390 0.000 1.116 606 F CA 1.758 59.895 58.000 0.229 0.000 1.212 606 F CB -0.650 38.476 39.000 0.210 0.000 0.998 606 F HN 0.240 nan 8.300 nan 0.000 0.471 607 S N -0.756 115.076 115.700 0.220 0.000 2.478 607 S HA -0.008 4.467 4.470 0.009 0.000 0.222 607 S C 0.905 175.664 174.600 0.264 0.000 1.008 607 S CA 0.609 58.980 58.200 0.285 0.000 0.928 607 S CB -0.546 62.875 63.200 0.368 0.000 0.781 607 S HN 0.563 nan 8.310 nan 0.000 0.518 608 E N 0.459 120.778 120.200 0.199 0.000 2.660 608 E HA -0.214 4.142 4.350 0.009 0.000 0.260 608 E C 0.734 177.328 176.600 -0.010 0.000 1.122 608 E CA 0.314 56.770 56.400 0.094 0.000 0.755 608 E CB -2.129 27.608 29.700 0.062 0.000 1.345 608 E HN 1.028 nan 8.360 nan 0.000 0.421 609 G N 0.250 109.081 108.800 0.052 0.000 2.153 609 G HA2 -0.365 3.600 3.960 0.009 0.000 0.252 609 G HA3 -0.365 3.600 3.960 0.009 0.000 0.252 609 G C -0.008 174.867 174.900 -0.041 0.000 0.994 609 G CA 1.015 46.129 45.100 0.022 0.000 0.698 609 G HN 0.275 nan 8.290 nan 0.000 0.521 610 K N 0.823 121.172 120.400 -0.086 0.000 2.207 610 K HA 0.550 4.876 4.320 0.009 0.000 0.255 610 K C -0.209 176.419 176.600 0.047 0.000 0.941 610 K CA -0.602 55.548 56.287 -0.228 0.000 0.825 610 K CB 1.485 33.472 32.500 -0.856 0.000 1.119 610 K HN 0.311 nan 8.250 nan 0.000 0.430 611 D N 0.562 120.980 120.400 0.029 0.000 2.432 611 D HA 0.048 4.694 4.640 0.009 0.000 0.258 611 D C 0.521 176.851 176.300 0.050 0.000 1.146 611 D CA -0.531 53.573 54.000 0.172 0.000 1.015 611 D CB 0.598 41.479 40.800 0.136 0.000 1.107 611 D HN 0.506 nan 8.370 nan 0.000 0.529 612 E N -1.100 119.116 120.200 0.027 0.000 2.070 612 E HA -0.189 4.166 4.350 0.009 0.000 0.197 612 E C 1.772 178.421 176.600 0.081 0.000 1.004 612 E CA 0.856 57.245 56.400 -0.019 0.000 0.805 612 E CB -0.166 29.596 29.700 0.103 0.000 0.744 612 E HN 0.299 nan 8.360 nan 0.000 0.451 613 L N 0.578 121.832 121.223 0.052 0.000 2.083 613 L HA -0.144 4.202 4.340 0.009 0.000 0.209 613 L C 2.124 178.890 176.870 -0.174 0.000 1.083 613 L CA 1.896 56.695 54.840 -0.069 0.000 0.752 613 L CB -0.700 41.172 42.059 -0.311 0.000 0.899 613 L HN 0.084 nan 8.230 nan 0.000 0.433 614 A N -1.733 120.970 122.820 -0.195 0.000 1.898 614 A HA -0.232 4.093 4.320 0.009 0.000 0.216 614 A C 2.128 179.523 177.584 -0.316 0.000 1.181 614 A CA 1.573 53.420 52.037 -0.317 0.000 0.620 614 A CB -1.206 17.590 19.000 -0.340 0.000 0.819 614 A HN 0.608 nan 8.150 nan 0.000 0.442 615 W N -0.601 120.580 121.300 -0.198 0.000 2.363 615 W HA -0.190 4.475 4.660 0.009 0.000 0.296 615 W C 2.601 179.051 176.519 -0.116 0.000 1.212 615 W CA 0.938 58.194 57.345 -0.149 0.000 1.260 615 W CB -0.539 28.822 29.460 -0.166 0.000 1.131 615 W HN 0.358 nan 8.180 nan 0.000 0.530 616 C N -0.667 118.681 119.300 0.079 0.000 2.413 616 C HA -0.220 4.245 4.460 0.009 0.000 0.276 616 C C 2.521 177.347 174.990 -0.274 0.000 1.236 616 C CA 1.487 60.520 59.018 0.026 0.000 1.735 616 C CB -1.248 26.583 27.740 0.151 0.000 2.031 616 C HN 0.411 nan 8.230 nan 0.000 0.474 617 E N 0.245 119.936 120.200 -0.849 0.000 2.051 617 E HA -0.276 4.079 4.350 0.009 0.000 0.192 617 E C 2.280 178.658 176.600 -0.370 0.000 0.991 617 E CA 1.204 56.859 56.400 -1.240 0.000 0.799 617 E CB -0.282 28.556 29.700 -1.436 0.000 0.748 617 E HN 0.679 nan 8.360 nan 0.000 0.449 618 Q N -0.575 119.087 119.800 -0.231 0.000 2.124 618 Q HA -0.238 4.107 4.340 0.009 0.000 0.202 618 Q C 1.968 177.996 176.000 0.046 0.000 0.977 618 Q CA 1.642 57.384 55.803 -0.103 0.000 0.850 618 Q CB -0.236 28.428 28.738 -0.124 0.000 0.901 618 Q HN 0.452 nan 8.270 nan 0.000 0.429 619 Y N -0.091 120.240 120.300 0.052 0.000 2.145 619 Y HA -0.284 4.271 4.550 0.009 0.000 0.286 619 Y C 1.926 177.930 175.900 0.174 0.000 1.145 619 Y CA 1.898 60.105 58.100 0.179 0.000 1.148 619 Y CB -0.384 38.197 38.460 0.202 0.000 0.981 619 Y HN 0.269 nan 8.280 nan 0.000 0.507 620 F N 1.336 121.462 119.950 0.294 0.000 2.095 620 F HA -0.300 4.232 4.527 0.009 0.000 0.298 620 F C 1.970 177.846 175.800 0.126 0.000 1.104 620 F CA 2.106 60.268 58.000 0.270 0.000 1.232 620 F CB -0.539 38.688 39.000 0.377 0.000 0.987 620 F HN 0.061 nan 8.300 nan 0.000 0.475 621 N N 0.557 119.392 118.700 0.225 0.000 2.453 621 N HA -0.050 4.695 4.740 0.009 0.000 0.183 621 N C 1.490 176.955 175.510 -0.074 0.000 1.041 621 N CA 1.015 54.103 53.050 0.064 0.000 0.900 621 N CB -0.425 38.106 38.487 0.073 0.000 0.961 621 N HN 0.395 nan 8.380 nan 0.000 0.443 622 A N 0.313 123.071 122.820 -0.102 0.000 2.278 622 A HA 0.099 4.425 4.320 0.009 0.000 0.212 622 A C 1.184 178.737 177.584 -0.051 0.000 1.213 622 A CA 0.133 52.078 52.037 -0.153 0.000 0.840 622 A CB -0.259 18.528 19.000 -0.355 0.000 0.866 622 A HN 0.340 nan 8.150 nan 0.000 0.489 623 T N -4.598 109.878 114.554 -0.131 0.000 2.844 623 T HA 0.428 4.783 4.350 0.009 0.000 0.274 623 T C 0.031 174.635 174.700 -0.161 0.000 0.991 623 T CA -0.158 61.839 62.100 -0.172 0.000 0.983 623 T CB 0.881 69.538 68.868 -0.351 0.000 1.310 623 T HN -0.071 nan 8.240 nan 0.000 0.596 624 D N -0.292 119.961 120.400 -0.245 0.000 2.349 624 D HA 0.149 4.794 4.640 0.009 0.000 0.215 624 D C 1.876 178.160 176.300 -0.027 0.000 1.016 624 D CA 0.125 53.989 54.000 -0.225 0.000 0.870 624 D CB -0.095 40.383 40.800 -0.536 0.000 0.917 624 D HN 0.283 nan 8.370 nan 0.000 0.524 625 M N 0.451 120.001 119.600 -0.083 0.000 2.143 625 M HA -0.126 4.359 4.480 0.009 0.000 0.258 625 M C -0.838 175.386 176.300 -0.128 0.000 1.071 625 M CA 1.454 56.691 55.300 -0.105 0.000 1.088 625 M CB -1.973 30.183 32.600 -0.740 0.000 1.360 625 M HN -0.025 nan 8.290 nan 0.000 0.404 626 P HA -0.154 nan 4.420 nan 0.000 0.221 626 P C 1.129 178.432 177.300 0.005 0.000 1.145 626 P CA 1.191 64.292 63.100 0.002 0.000 0.795 626 P CB -0.188 31.510 31.700 -0.004 0.000 0.775 627 K N -2.242 118.137 120.400 -0.035 0.000 2.362 627 K HA -0.094 4.231 4.320 0.009 0.000 0.200 627 K C 1.233 177.631 176.600 -0.337 0.000 1.046 627 K CA 1.201 57.383 56.287 -0.174 0.000 0.952 627 K CB -0.165 32.203 32.500 -0.221 0.000 0.753 627 K HN 0.325 nan 8.250 nan 0.000 0.466 628 Y N -0.566 119.734 120.300 -0.001 0.000 2.607 628 Y HA 0.226 4.782 4.550 0.009 0.000 0.276 628 Y C 0.915 176.764 175.900 -0.085 0.000 1.117 628 Y CA -0.447 57.605 58.100 -0.079 0.000 1.273 628 Y CB 0.703 38.987 38.460 -0.294 0.000 1.282 628 Y HN -0.085 nan 8.280 nan 0.000 0.514 629 M N -0.781 118.880 119.600 0.101 0.000 2.603 629 M HA 0.479 4.964 4.480 0.009 0.000 0.275 629 M C -0.687 175.799 176.300 0.309 0.000 1.226 629 M CA -0.933 54.458 55.300 0.151 0.000 0.870 629 M CB 1.912 34.572 32.600 0.100 0.000 1.716 629 M HN -0.019 nan 8.290 nan 0.000 0.482 630 T N -1.892 112.806 114.554 0.240 0.000 2.788 630 T HA 0.142 4.497 4.350 0.009 0.000 0.287 630 T C 0.808 175.613 174.700 0.175 0.000 1.007 630 T CA -0.463 61.805 62.100 0.280 0.000 1.005 630 T CB 1.222 70.186 68.868 0.161 0.000 1.012 630 T HN 0.944 nan 8.240 nan 0.000 0.530 631 W N 1.277 122.500 121.300 -0.129 0.000 2.335 631 W HA -0.204 4.462 4.660 0.009 0.000 0.311 631 W C 1.104 177.505 176.519 -0.197 0.000 1.213 631 W CA 1.918 58.926 57.345 -0.561 0.000 1.274 631 W CB -0.527 28.719 29.460 -0.357 0.000 1.148 631 W HN 0.715 nan 8.180 nan 0.000 0.498 632 D N 0.357 120.635 120.400 -0.203 0.000 2.104 632 D HA -0.214 4.431 4.640 0.009 0.000 0.194 632 D C 2.010 178.209 176.300 -0.169 0.000 0.994 632 D CA 2.079 55.939 54.000 -0.234 0.000 0.830 632 D CB -0.626 40.139 40.800 -0.058 0.000 0.959 632 D HN 0.422 nan 8.370 nan 0.000 0.452 633 E N -0.425 119.728 120.200 -0.078 0.000 2.051 633 E HA -0.165 4.190 4.350 0.009 0.000 0.192 633 E C 1.992 178.549 176.600 -0.071 0.000 0.991 633 E CA 0.493 56.869 56.400 -0.041 0.000 0.799 633 E CB -0.250 29.466 29.700 0.026 0.000 0.748 633 E HN 0.244 nan 8.360 nan 0.000 0.449 634 F N 1.212 121.022 119.950 -0.233 0.000 2.069 634 F HA -0.232 4.300 4.527 0.009 0.000 0.298 634 F C 2.075 177.676 175.800 -0.333 0.000 1.113 634 F CA 1.289 59.147 58.000 -0.237 0.000 1.214 634 F CB -0.464 38.380 39.000 -0.260 0.000 0.978 634 F HN -0.047 nan 8.300 nan 0.000 0.474 635 F N 1.388 120.867 119.950 -0.785 0.000 2.091 635 F HA -0.254 4.278 4.527 0.009 0.000 0.299 635 F C 2.568 178.062 175.800 -0.510 0.000 1.103 635 F CA 2.513 60.004 58.000 -0.849 0.000 1.228 635 F CB -0.696 37.685 39.000 -1.030 0.000 0.984 635 F HN 0.004 nan 8.300 nan 0.000 0.477 636 K N 0.304 120.526 120.400 -0.297 0.000 2.026 636 K HA -0.241 4.084 4.320 0.009 0.000 0.208 636 K C 2.355 178.784 176.600 -0.284 0.000 1.048 636 K CA 1.698 57.841 56.287 -0.240 0.000 0.929 636 K CB -0.272 32.167 32.500 -0.102 0.000 0.713 636 K HN 0.243 nan 8.250 nan 0.000 0.439 637 K N -1.190 119.033 120.400 -0.295 0.000 2.097 637 K HA -0.112 4.213 4.320 0.009 0.000 0.205 637 K C 1.186 177.610 176.600 -0.295 0.000 1.050 637 K CA 1.570 57.693 56.287 -0.274 0.000 0.938 637 K CB 0.034 32.376 32.500 -0.265 0.000 0.718 637 K HN 0.453 nan 8.250 nan 0.000 0.442 638 G N -0.576 107.931 108.800 -0.489 0.000 2.336 638 G HA2 -0.299 3.666 3.960 0.009 0.000 0.233 638 G HA3 -0.299 3.666 3.960 0.009 0.000 0.233 638 G C -0.033 174.734 174.900 -0.223 0.000 1.053 638 G CA 0.626 45.507 45.100 -0.365 0.000 0.625 638 G HN 0.521 nan 8.290 nan 0.000 0.511 639 Y N -2.260 117.890 120.300 -0.249 0.000 2.624 639 Y HA 0.767 5.322 4.550 0.009 0.000 0.334 639 Y C -1.475 174.549 175.900 0.206 0.000 1.155 639 Y CA -2.246 55.851 58.100 -0.006 0.000 1.046 639 Y CB 0.911 39.356 38.460 -0.024 0.000 1.316 639 Y HN 0.681 nan 8.280 nan 0.000 0.457 640 F N 2.058 122.091 119.950 0.138 0.000 2.561 640 F HA 0.733 5.265 4.527 0.009 0.000 0.313 640 F C -1.845 173.915 175.800 -0.067 0.000 1.126 640 F CA -1.422 56.562 58.000 -0.027 0.000 0.918 640 F CB 2.076 41.146 39.000 0.116 0.000 1.199 640 F HN 0.499 nan 8.300 nan 0.000 0.444 641 V N 6.695 126.042 119.914 -0.946 0.000 2.318 641 V HA 0.268 4.393 4.120 0.009 0.000 0.271 641 V C -0.251 175.021 176.094 -1.370 0.000 1.030 641 V CA -0.852 60.914 62.300 -0.890 0.000 0.844 641 V CB 0.993 32.315 31.823 -0.836 0.000 1.015 641 V HN 0.605 nan 8.190 nan 0.000 0.460 642 V N 8.673 127.974 119.914 -1.021 0.000 2.599 642 V HA 0.082 4.207 4.120 0.009 0.000 0.300 642 V C -1.751 173.968 176.094 -0.625 0.000 1.034 642 V CA -0.823 60.894 62.300 -0.971 0.000 1.115 642 V CB 0.516 31.925 31.823 -0.690 0.000 0.934 642 V HN 0.741 nan 8.190 nan 0.000 0.485 643 P HA 0.094 nan 4.420 nan 0.000 0.270 643 P C -0.450 176.780 177.300 -0.117 0.000 1.223 643 P CA -0.249 62.688 63.100 -0.271 0.000 0.785 643 P CB 0.413 32.006 31.700 -0.178 0.000 0.923 644 D N 1.067 121.460 120.400 -0.012 0.000 2.357 644 D HA 0.043 4.688 4.640 0.009 0.000 0.242 644 D C -0.227 176.105 176.300 0.053 0.000 1.153 644 D CA 0.065 54.099 54.000 0.058 0.000 0.918 644 D CB 0.164 41.036 40.800 0.121 0.000 1.181 644 D HN 0.085 nan 8.370 nan 0.000 0.435 645 N N 2.511 121.240 118.700 0.049 0.000 2.851 645 N HA 0.285 5.030 4.740 0.009 0.000 0.248 645 N C -2.228 173.307 175.510 0.042 0.000 1.221 645 N CA -1.818 51.264 53.050 0.054 0.000 0.847 645 N CB 1.257 39.778 38.487 0.056 0.000 1.150 645 N HN 0.157 nan 8.380 nan 0.000 0.507 646 P HA -0.047 nan 4.420 nan 0.000 0.215 646 P C 0.880 178.205 177.300 0.042 0.000 1.153 646 P CA 1.089 64.222 63.100 0.054 0.000 0.853 646 P CB 0.491 32.227 31.700 0.060 0.000 0.788 647 N N -0.474 118.253 118.700 0.044 0.000 2.300 647 N HA -0.063 4.683 4.740 0.009 0.000 0.179 647 N C 0.820 176.353 175.510 0.038 0.000 1.016 647 N CA 0.319 53.393 53.050 0.040 0.000 0.876 647 N CB -0.610 37.903 38.487 0.042 0.000 0.979 647 N HN 0.299 nan 8.380 nan 0.000 0.432 648 R N 2.796 123.320 120.500 0.040 0.000 2.566 648 R HA -0.054 4.291 4.340 0.009 0.000 0.273 648 R C 0.131 176.453 176.300 0.036 0.000 0.981 648 R CA 0.005 56.130 56.100 0.042 0.000 1.091 648 R CB 0.166 30.493 30.300 0.044 0.000 0.924 648 R HN 0.106 nan 8.270 nan 0.000 0.411 649 K N 2.696 123.122 120.400 0.043 0.000 2.295 649 K HA 0.134 4.459 4.320 0.009 0.000 0.270 649 K C -0.729 175.906 176.600 0.057 0.000 1.011 649 K CA -0.641 55.673 56.287 0.044 0.000 0.953 649 K CB 0.814 33.340 32.500 0.043 0.000 0.956 649 K HN 0.382 nan 8.250 nan 0.000 0.477 650 K N 2.597 123.031 120.400 0.057 0.000 2.258 650 K HA 0.110 4.436 4.320 0.009 0.000 0.284 650 K C -0.443 176.216 176.600 0.098 0.000 1.051 650 K CA -0.375 55.957 56.287 0.075 0.000 0.923 650 K CB 1.246 33.775 32.500 0.049 0.000 1.046 650 K HN 0.866 nan 8.250 nan 0.000 0.474 651 T N -1.219 113.416 114.554 0.136 0.000 3.053 651 T HA 0.278 4.633 4.350 0.009 0.000 0.363 651 T C 0.177 174.987 174.700 0.183 0.000 1.239 651 T CA -0.825 61.361 62.100 0.142 0.000 1.071 651 T CB 0.235 69.161 68.868 0.096 0.000 1.089 651 T HN 0.104 nan 8.240 nan 0.000 0.527 652 V N 3.204 123.213 119.914 0.158 0.000 2.655 652 V HA 0.436 4.561 4.120 0.009 0.000 0.300 652 V C 1.388 177.595 176.094 0.188 0.000 1.044 652 V CA -0.593 61.789 62.300 0.137 0.000 1.095 652 V CB -0.029 31.845 31.823 0.084 0.000 0.952 652 V HN 1.143 nan 8.190 nan 0.000 0.485 653 A N 5.400 128.325 122.820 0.175 0.000 2.591 653 A HA 0.224 4.549 4.320 0.009 0.000 0.244 653 A C 1.132 178.797 177.584 0.134 0.000 1.031 653 A CA 0.363 52.522 52.037 0.202 0.000 0.767 653 A CB -0.723 18.332 19.000 0.093 0.000 0.942 653 A HN 1.305 nan 8.150 nan 0.000 0.514 654 L N -0.302 120.987 121.223 0.109 0.000 4.813 654 L HA -0.326 4.019 4.340 0.009 0.000 0.434 654 L C 2.043 178.766 176.870 -0.246 0.000 1.106 654 L CA 1.335 56.032 54.840 -0.238 0.000 0.991 654 L CB -1.293 40.738 42.059 -0.046 0.000 2.005 654 L HN 0.961 nan 8.230 nan 0.000 0.817 655 R N 1.140 121.618 120.500 -0.037 0.000 2.092 655 R HA -0.169 4.176 4.340 0.009 0.000 0.231 655 R C 2.254 178.571 176.300 0.028 0.000 1.119 655 R CA 2.150 58.270 56.100 0.034 0.000 0.970 655 R CB -0.249 30.115 30.300 0.107 0.000 0.864 655 R HN 0.744 nan 8.270 nan 0.000 0.440 656 W N -0.136 121.242 121.300 0.131 0.000 2.342 656 W HA -0.237 4.430 4.660 0.010 0.000 0.297 656 W C 1.552 178.143 176.519 0.121 0.000 1.213 656 W CA 0.414 57.819 57.345 0.099 0.000 1.251 656 W CB -1.287 28.225 29.460 0.086 0.000 1.136 656 W HN 0.070 nan 8.180 nan 0.000 0.526 657 F N 2.919 122.367 119.950 -0.836 0.000 2.113 657 F HA 0.074 4.606 4.527 0.009 0.000 0.297 657 F C 2.675 178.288 175.800 -0.313 0.000 1.103 657 F CA 2.578 60.137 58.000 -0.735 0.000 1.248 657 F CB -0.935 37.390 39.000 -1.124 0.000 0.999 657 F HN -0.096 nan 8.300 nan 0.000 0.475 658 A N -0.017 122.652 122.820 -0.251 0.000 1.978 658 A HA -0.214 4.111 4.320 0.009 0.000 0.220 658 A C 1.927 179.386 177.584 -0.208 0.000 1.170 658 A CA 1.970 53.925 52.037 -0.135 0.000 0.636 658 A CB -0.824 18.288 19.000 0.186 0.000 0.810 658 A HN 0.614 nan 8.150 nan 0.000 0.448 659 E N -1.224 118.900 120.200 -0.127 0.000 2.463 659 E HA 0.314 4.670 4.350 0.009 0.000 0.193 659 E C 0.779 177.323 176.600 -0.094 0.000 1.041 659 E CA 0.098 56.451 56.400 -0.078 0.000 0.879 659 E CB -0.071 29.630 29.700 0.002 0.000 0.997 659 E HN 0.665 nan 8.360 nan 0.000 0.478 660 G N 3.042 111.736 108.800 -0.176 0.000 2.366 660 G HA2 -0.341 3.624 3.960 0.009 0.000 0.299 660 G HA3 -0.341 3.624 3.960 0.009 0.000 0.299 660 G C 0.108 175.015 174.900 0.013 0.000 1.020 660 G CA 1.065 46.091 45.100 -0.122 0.000 1.026 660 G HN 0.359 nan 8.290 nan 0.000 0.512 661 R N -1.754 118.815 120.500 0.115 0.000 3.018 661 R HA 0.750 5.095 4.340 0.009 0.000 0.243 661 R C -0.435 175.997 176.300 0.220 0.000 1.315 661 R CA -1.145 55.035 56.100 0.133 0.000 1.039 661 R CB 0.964 31.328 30.300 0.107 0.000 1.315 661 R HN 0.067 nan 8.270 nan 0.000 0.492 662 E N 1.758 122.022 120.200 0.106 0.000 2.413 662 E HA -0.002 4.353 4.350 0.009 0.000 0.263 662 E C -0.537 176.006 176.600 -0.095 0.000 1.015 662 E CA -0.110 56.295 56.400 0.008 0.000 0.916 662 E CB 0.543 30.210 29.700 -0.055 0.000 0.947 662 E HN 0.237 nan 8.360 nan 0.000 0.440 663 K N 3.106 123.204 120.400 -0.502 0.000 2.447 663 K HA -0.070 4.255 4.320 0.009 0.000 0.281 663 K C -0.436 175.758 176.600 -0.676 0.000 1.031 663 K CA 0.237 55.726 56.287 -1.329 0.000 1.019 663 K CB 0.426 31.958 32.500 -1.613 0.000 0.918 663 K HN 0.616 nan 8.250 nan 0.000 0.476 664 D N 1.470 121.544 120.400 -0.544 0.000 2.527 664 D HA -0.018 4.627 4.640 0.009 0.000 0.224 664 D C 0.328 176.519 176.300 -0.181 0.000 1.217 664 D CA -0.281 53.582 54.000 -0.228 0.000 0.819 664 D CB -0.015 40.754 40.800 -0.052 0.000 1.061 664 D HN 0.493 nan 8.370 nan 0.000 0.515 665 T N -2.443 111.960 114.554 -0.252 0.000 2.824 665 T HA 0.459 4.814 4.350 0.009 0.000 0.277 665 T C -1.997 172.479 174.700 -0.374 0.000 0.975 665 T CA -1.418 60.520 62.100 -0.270 0.000 0.966 665 T CB 1.682 70.444 68.868 -0.177 0.000 1.054 665 T HN -0.337 nan 8.240 nan 0.000 0.533 666 P HA 0.198 nan 4.420 nan 0.000 0.249 666 P C -0.074 177.137 177.300 -0.148 0.000 1.229 666 P CA -0.025 62.846 63.100 -0.381 0.000 0.788 666 P CB -0.111 31.346 31.700 -0.404 0.000 1.072 667 D N -1.058 119.253 120.400 -0.149 0.000 2.478 667 D HA -0.110 4.536 4.640 0.009 0.000 0.234 667 D C 0.280 176.681 176.300 0.168 0.000 1.154 667 D CA 0.139 54.289 54.000 0.250 0.000 0.874 667 D CB 0.335 41.385 40.800 0.416 0.000 1.198 667 D HN 0.016 nan 8.370 nan 0.000 0.455 668 W N 2.211 123.368 121.300 -0.240 0.000 3.310 668 W HA 0.322 4.987 4.660 0.009 0.000 0.259 668 W C 0.934 176.890 176.519 -0.939 0.000 1.324 668 W CA -0.001 57.037 57.345 -0.511 0.000 1.636 668 W CB -0.592 28.495 29.460 -0.623 0.000 1.104 668 W HN 0.385 nan 8.180 nan 0.000 0.722 669 G N -0.919 107.198 108.800 -1.138 0.000 2.550 669 G HA2 0.426 4.391 3.960 0.009 0.000 0.293 669 G HA3 0.426 4.391 3.960 0.009 0.000 0.293 669 G C -3.055 171.149 174.900 -1.160 0.000 1.402 669 G CA -1.137 42.830 45.100 -1.888 0.000 0.784 669 G HN -0.425 nan 8.290 nan 0.000 0.482 670 P HA 0.257 nan 4.420 nan 0.000 0.274 670 P C -0.419 176.563 177.300 -0.530 0.000 1.237 670 P CA -0.298 62.314 63.100 -0.813 0.000 0.793 670 P CB 1.026 32.627 31.700 -0.165 0.000 0.977 671 R N 1.020 121.306 120.500 -0.357 0.000 2.543 671 R HA 0.163 4.508 4.340 0.009 0.000 0.277 671 R C 1.823 178.024 176.300 -0.165 0.000 1.074 671 R CA -0.469 55.497 56.100 -0.224 0.000 1.076 671 R CB 0.101 30.326 30.300 -0.125 0.000 0.993 671 R HN 0.490 nan 8.270 nan 0.000 0.459 672 L N 2.266 123.397 121.223 -0.154 0.000 2.089 672 L HA -0.326 4.019 4.340 0.009 0.000 0.213 672 L C 1.844 178.664 176.870 -0.084 0.000 1.079 672 L CA 2.247 57.013 54.840 -0.123 0.000 0.758 672 L CB -0.692 41.295 42.059 -0.120 0.000 0.891 672 L HN 0.760 nan 8.230 nan 0.000 0.433 673 N N -0.951 117.707 118.700 -0.069 0.000 2.459 673 N HA -0.179 4.567 4.740 0.009 0.000 0.181 673 N C 1.074 176.566 175.510 -0.029 0.000 1.046 673 N CA 1.052 54.077 53.050 -0.042 0.000 0.904 673 N CB -0.410 38.058 38.487 -0.030 0.000 0.964 673 N HN 0.382 nan 8.380 nan 0.000 0.444 674 N N -0.793 117.886 118.700 -0.036 0.000 2.314 674 N HA 0.112 4.857 4.740 0.009 0.000 0.200 674 N C -0.704 174.801 175.510 -0.008 0.000 1.135 674 N CA -0.083 52.959 53.050 -0.014 0.000 0.835 674 N CB 0.290 38.776 38.487 -0.002 0.000 0.989 674 N HN 0.351 nan 8.380 nan 0.000 0.478 675 Q N -0.258 119.529 119.800 -0.021 0.000 2.501 675 Q HA 0.447 4.792 4.340 0.009 0.000 0.288 675 Q C -1.312 174.684 176.000 -0.008 0.000 1.051 675 Q CA -0.854 54.946 55.803 -0.005 0.000 0.788 675 Q CB 2.883 31.606 28.738 -0.024 0.000 1.469 675 Q HN -0.112 nan 8.270 nan 0.000 0.416 676 V N 1.116 121.035 119.914 0.009 0.000 2.328 676 V HA 0.109 4.235 4.120 0.009 0.000 0.278 676 V C -0.042 176.052 176.094 -0.001 0.000 1.021 676 V CA -0.394 61.907 62.300 0.002 0.000 0.838 676 V CB 0.923 32.753 31.823 0.011 0.000 0.999 676 V HN 1.070 nan 8.190 nan 0.000 0.447 677 C N 5.470 124.760 119.300 -0.018 0.000 4.365 677 C HA -0.151 4.314 4.460 0.009 0.000 0.299 677 C C 1.443 176.414 174.990 -0.031 0.000 1.409 677 C CA 0.813 59.817 59.018 -0.025 0.000 2.007 677 C CB -2.396 25.336 27.740 -0.014 0.000 1.264 677 C HN 1.208 nan 8.230 nan 0.000 0.777 678 R N -1.741 118.730 120.500 -0.048 0.000 3.387 678 R HA -0.243 4.102 4.340 0.009 0.000 0.254 678 R C -0.508 175.763 176.300 -0.048 0.000 1.006 678 R CA 1.759 57.810 56.100 -0.082 0.000 0.677 678 R CB -1.764 28.456 30.300 -0.134 0.000 1.063 678 R HN 0.780 nan 8.270 nan 0.000 0.453 679 K N 0.235 120.660 120.400 0.041 0.000 2.328 679 K HA 0.690 5.016 4.320 0.009 0.000 0.246 679 K C 0.343 177.091 176.600 0.246 0.000 0.955 679 K CA -0.334 56.051 56.287 0.162 0.000 0.817 679 K CB 2.167 34.737 32.500 0.117 0.000 1.208 679 K HN 0.416 nan 8.250 nan 0.000 0.432 680 G N 0.903 109.984 108.800 0.468 0.000 2.781 680 G HA2 -0.209 3.756 3.960 0.009 0.000 0.683 680 G HA3 -0.209 3.756 3.960 0.009 0.000 0.683 680 G C -0.583 174.564 174.900 0.412 0.000 1.390 680 G CA -0.964 44.410 45.100 0.456 0.000 0.850 680 G HN 0.406 nan 8.290 nan 0.000 0.557 681 L N 0.247 121.602 121.223 0.219 0.000 2.475 681 L HA 0.318 4.664 4.340 0.009 0.000 0.253 681 L C 2.259 179.154 176.870 0.041 0.000 1.198 681 L CA 0.191 55.033 54.840 0.004 0.000 0.814 681 L CB 0.627 42.562 42.059 -0.207 0.000 1.134 681 L HN 0.900 nan 8.230 nan 0.000 0.478 682 Q N 0.312 120.115 119.800 0.004 0.000 2.291 682 Q HA -0.094 4.251 4.340 0.009 0.000 0.206 682 Q C 0.597 176.613 176.000 0.026 0.000 0.976 682 Q CA 0.968 56.802 55.803 0.051 0.000 0.875 682 Q CB -0.010 28.812 28.738 0.139 0.000 0.927 682 Q HN 0.842 nan 8.270 nan 0.000 0.450 683 T N -2.271 112.292 114.554 0.015 0.000 2.855 683 T HA 0.001 4.356 4.350 0.009 0.000 0.322 683 T C 1.048 175.761 174.700 0.023 0.000 1.088 683 T CA 0.213 62.328 62.100 0.026 0.000 1.104 683 T CB 0.958 69.854 68.868 0.046 0.000 0.996 683 T HN 0.089 nan 8.240 nan 0.000 0.549 684 T N 1.792 116.354 114.554 0.013 0.000 2.635 684 T HA -0.185 4.170 4.350 0.009 0.000 0.267 684 T C 2.324 177.014 174.700 -0.016 0.000 1.040 684 T CA 2.400 64.499 62.100 -0.002 0.000 1.156 684 T CB -1.075 67.787 68.868 -0.009 0.000 0.863 684 T HN 1.005 nan 8.240 nan 0.000 0.430 685 T N -1.164 113.358 114.554 -0.053 0.000 2.995 685 T HA 0.251 4.607 4.350 0.009 0.000 0.269 685 T C 1.875 176.590 174.700 0.025 0.000 1.091 685 T CA 1.247 63.309 62.100 -0.062 0.000 1.128 685 T CB -0.436 68.318 68.868 -0.189 0.000 0.891 685 T HN 0.657 nan 8.240 nan 0.000 0.492 686 G N 1.074 109.910 108.800 0.059 0.000 2.176 686 G HA2 -0.222 3.743 3.960 0.009 0.000 0.253 686 G HA3 -0.222 3.743 3.960 0.009 0.000 0.253 686 G C -0.003 175.024 174.900 0.212 0.000 0.979 686 G CA 0.361 45.534 45.100 0.122 0.000 0.641 686 G HN 0.719 nan 8.290 nan 0.000 0.530 687 K N -0.640 119.873 120.400 0.188 0.000 2.280 687 K HA 0.701 5.027 4.320 0.009 0.000 0.234 687 K C 0.086 176.839 176.600 0.255 0.000 1.028 687 K CA -1.003 55.458 56.287 0.290 0.000 0.882 687 K CB 2.146 34.800 32.500 0.258 0.000 1.194 687 K HN -0.004 nan 8.250 nan 0.000 0.458 688 V N 2.466 122.577 119.914 0.328 0.000 2.439 688 V HA 0.010 4.135 4.120 0.009 0.000 0.271 688 V C -0.208 176.042 176.094 0.260 0.000 1.040 688 V CA 0.183 62.620 62.300 0.227 0.000 1.002 688 V CB 0.111 32.088 31.823 0.256 0.000 1.000 688 V HN 0.595 nan 8.190 nan 0.000 0.477 689 E N 4.797 125.086 120.200 0.149 0.000 2.014 689 E HA 0.224 4.579 4.350 0.009 0.000 0.275 689 E C -0.060 176.588 176.600 0.080 0.000 0.997 689 E CA -0.248 56.301 56.400 0.248 0.000 0.804 689 E CB 0.573 30.423 29.700 0.249 0.000 1.090 689 E HN 0.609 nan 8.360 nan 0.000 0.401 690 F N 1.511 121.478 119.950 0.030 0.000 2.365 690 F HA -0.003 4.530 4.527 0.009 0.000 0.300 690 F C 1.039 176.845 175.800 0.010 0.000 1.090 690 F CA 0.688 58.621 58.000 -0.112 0.000 1.408 690 F CB 0.159 39.015 39.000 -0.240 0.000 1.060 690 F HN 0.339 nan 8.300 nan 0.000 0.534 691 I N 0.454 121.161 120.570 0.229 0.000 2.437 691 I HA 0.331 4.506 4.170 0.009 0.000 0.279 691 I C -0.109 176.138 176.117 0.217 0.000 1.028 691 I CA -0.888 60.520 61.300 0.181 0.000 1.142 691 I CB 0.883 38.962 38.000 0.131 0.000 1.266 691 I HN -0.184 nan 8.210 nan 0.000 0.461 692 A N 4.014 126.927 122.820 0.155 0.000 2.491 692 A HA 0.242 4.567 4.320 0.009 0.000 0.261 692 A C 1.525 179.203 177.584 0.156 0.000 1.101 692 A CA 0.106 52.235 52.037 0.154 0.000 0.772 692 A CB 0.081 19.156 19.000 0.124 0.000 1.043 692 A HN 0.859 nan 8.150 nan 0.000 0.501 693 T N 0.594 115.245 114.554 0.162 0.000 2.821 693 T HA -0.204 4.151 4.350 0.009 0.000 0.267 693 T C 1.976 176.744 174.700 0.115 0.000 1.046 693 T CA 1.781 63.961 62.100 0.133 0.000 1.139 693 T CB -0.718 68.200 68.868 0.084 0.000 0.871 693 T HN 1.050 nan 8.240 nan 0.000 0.454 694 S N 2.597 118.368 115.700 0.119 0.000 2.348 694 S HA -0.031 4.444 4.470 0.009 0.000 0.221 694 S C 2.118 176.772 174.600 0.089 0.000 1.033 694 S CA 1.190 59.463 58.200 0.121 0.000 1.010 694 S CB -1.089 62.234 63.200 0.205 0.000 0.891 694 S HN 0.519 nan 8.310 nan 0.000 0.442 695 L N 1.237 122.479 121.223 0.032 0.000 2.141 695 L HA 0.030 4.375 4.340 0.009 0.000 0.209 695 L C 2.900 179.852 176.870 0.137 0.000 1.094 695 L CA 1.377 56.227 54.840 0.017 0.000 0.763 695 L CB -0.449 41.560 42.059 -0.082 0.000 0.908 695 L HN 0.369 nan 8.230 nan 0.000 0.437 696 K N 0.602 121.073 120.400 0.118 0.000 2.097 696 K HA -0.161 4.165 4.320 0.009 0.000 0.205 696 K C 1.747 178.422 176.600 0.124 0.000 1.050 696 K CA 1.472 57.830 56.287 0.118 0.000 0.938 696 K CB -0.000 32.570 32.500 0.117 0.000 0.718 696 K HN 0.407 nan 8.250 nan 0.000 0.442 697 N N -0.430 118.351 118.700 0.136 0.000 2.106 697 N HA -0.160 4.585 4.740 0.009 0.000 0.188 697 N C 1.664 177.285 175.510 0.186 0.000 1.029 697 N CA 0.933 54.064 53.050 0.136 0.000 0.848 697 N CB -0.162 38.400 38.487 0.126 0.000 1.007 697 N HN 0.067 nan 8.380 nan 0.000 0.423 698 F N 2.719 122.678 119.950 0.015 0.000 2.069 698 F HA -0.196 4.336 4.527 0.009 0.000 0.298 698 F C 2.265 178.117 175.800 0.086 0.000 1.113 698 F CA 1.568 59.566 58.000 -0.003 0.000 1.214 698 F CB -0.391 38.552 39.000 -0.096 0.000 0.978 698 F HN 0.126 nan 8.300 nan 0.000 0.474 699 E N -0.557 119.700 120.200 0.095 0.000 2.204 699 E HA -0.196 4.159 4.350 0.009 0.000 0.194 699 E C 1.692 178.283 176.600 -0.014 0.000 0.989 699 E CA 1.447 57.843 56.400 -0.007 0.000 0.824 699 E CB -0.701 29.033 29.700 0.056 0.000 0.756 699 E HN 0.583 nan 8.360 nan 0.000 0.477 700 E N 0.898 121.115 120.200 0.029 0.000 2.427 700 E HA -0.078 4.277 4.350 0.009 0.000 0.196 700 E C 1.607 178.207 176.600 -0.000 0.000 1.028 700 E CA 0.323 56.733 56.400 0.016 0.000 0.864 700 E CB 0.057 29.781 29.700 0.039 0.000 0.813 700 E HN 0.383 nan 8.360 nan 0.000 0.514 701 Q N -0.429 119.380 119.800 0.014 0.000 2.403 701 Q HA 0.070 4.415 4.340 0.009 0.000 0.203 701 Q C 0.938 176.857 176.000 -0.134 0.000 0.932 701 Q CA 0.441 56.255 55.803 0.018 0.000 0.945 701 Q CB 0.794 29.627 28.738 0.160 0.000 1.045 701 Q HN 0.393 nan 8.270 nan 0.000 0.511 702 G N 0.035 108.721 108.800 -0.190 0.000 2.179 702 G HA2 -0.259 3.706 3.960 0.009 0.000 0.220 702 G HA3 -0.259 3.706 3.960 0.009 0.000 0.220 702 G C -0.352 174.261 174.900 -0.478 0.000 0.990 702 G CA -0.534 44.373 45.100 -0.321 0.000 0.646 702 G HN 0.344 nan 8.290 nan 0.000 0.517 703 Y N 2.067 122.051 120.300 -0.526 0.000 2.724 703 Y HA 0.468 5.023 4.550 0.009 0.000 0.332 703 Y C 0.981 176.653 175.900 -0.379 0.000 1.276 703 Y CA -1.099 56.546 58.100 -0.759 0.000 1.597 703 Y CB 0.095 37.284 38.460 -2.119 0.000 1.584 703 Y HN 0.076 nan 8.280 nan 0.000 0.478 704 I N 2.345 122.920 120.570 0.008 0.000 2.533 704 I HA 0.066 4.241 4.170 0.009 0.000 0.284 704 I C 0.077 176.335 176.117 0.235 0.000 1.109 704 I CA -0.025 61.328 61.300 0.089 0.000 1.412 704 I CB 0.679 38.703 38.000 0.040 0.000 1.396 704 I HN 0.460 nan 8.210 nan 0.000 0.543 705 D N 5.108 125.649 120.400 0.235 0.000 2.323 705 D HA 0.073 4.719 4.640 0.009 0.000 0.242 705 D C 0.758 177.170 176.300 0.187 0.000 1.347 705 D CA -0.370 53.790 54.000 0.266 0.000 0.988 705 D CB 0.871 41.947 40.800 0.459 0.000 1.314 705 D HN 0.651 nan 8.370 nan 0.000 0.564 706 E N 1.865 122.146 120.200 0.135 0.000 2.160 706 E HA -0.245 4.110 4.350 0.009 0.000 0.195 706 E C 0.208 176.783 176.600 -0.041 0.000 0.991 706 E CA 1.124 57.548 56.400 0.041 0.000 0.810 706 E CB 0.110 29.818 29.700 0.014 0.000 0.742 706 E HN 0.526 nan 8.360 nan 0.000 0.466 707 H N -0.651 118.492 119.070 0.121 0.000 2.555 707 H HA 0.251 4.812 4.556 0.009 0.000 0.283 707 H C 0.091 175.514 175.328 0.158 0.000 1.037 707 H CA 0.332 56.473 56.048 0.156 0.000 1.169 707 H CB 0.276 30.166 29.762 0.213 0.000 1.375 707 H HN -0.097 nan 8.280 nan 0.000 0.582 708 R N 1.246 121.863 120.500 0.194 0.000 2.672 708 R HA 0.129 4.474 4.340 0.009 0.000 0.228 708 R C -3.194 173.187 176.300 0.135 0.000 1.501 708 R CA -1.398 54.807 56.100 0.175 0.000 1.514 708 R CB 0.588 31.017 30.300 0.215 0.000 1.489 708 R HN 0.116 nan 8.270 nan 0.000 0.747 709 P HA 0.042 nan 4.420 nan 0.000 0.272 709 P C 0.652 177.997 177.300 0.075 0.000 1.223 709 P CA 0.068 63.212 63.100 0.072 0.000 0.784 709 P CB 1.355 33.073 31.700 0.030 0.000 0.923 710 S N 1.953 117.697 115.700 0.073 0.000 2.399 710 S HA -0.106 4.370 4.470 0.009 0.000 0.231 710 S C 1.130 175.784 174.600 0.091 0.000 1.022 710 S CA 0.642 58.887 58.200 0.075 0.000 0.983 710 S CB -0.485 62.767 63.200 0.087 0.000 0.803 710 S HN 0.590 nan 8.310 nan 0.000 0.480 711 M N 2.457 122.110 119.600 0.090 0.000 2.238 711 M HA 0.291 4.776 4.480 0.009 0.000 0.350 711 M C -0.521 175.884 176.300 0.176 0.000 1.138 711 M CA -0.706 54.675 55.300 0.135 0.000 1.040 711 M CB 0.989 33.651 32.600 0.103 0.000 1.639 711 M HN 0.322 nan 8.290 nan 0.000 0.451 712 H N 4.256 123.419 119.070 0.156 0.000 3.138 712 H HA 0.256 4.817 4.556 0.008 0.000 0.275 712 H C -0.904 174.729 175.328 0.508 0.000 0.997 712 H CA 0.848 57.040 56.048 0.239 0.000 1.460 712 H CB 0.109 29.921 29.762 0.083 0.000 1.524 712 H HN 0.730 nan 8.280 nan 0.000 0.532 713 T N 1.584 116.218 114.554 0.134 0.000 2.804 713 T HA 0.173 4.528 4.350 0.009 0.000 0.290 713 T C -0.718 174.147 174.700 0.277 0.000 1.099 713 T CA -1.024 61.025 62.100 -0.086 0.000 1.011 713 T CB 0.591 69.124 68.868 -0.559 0.000 1.291 713 T HN 0.462 nan 8.240 nan 0.000 0.523 714 Y N 1.860 122.181 120.300 0.035 0.000 2.632 714 Y HA 0.494 5.050 4.550 0.010 0.000 0.336 714 Y C -0.435 175.595 175.900 0.217 0.000 1.237 714 Y CA -1.081 57.152 58.100 0.221 0.000 1.595 714 Y CB -0.614 37.834 38.460 -0.018 0.000 1.508 714 Y HN 0.493 nan 8.280 nan 0.000 0.480 715 V N 8.552 128.460 119.914 -0.011 0.000 2.405 715 V HA 0.188 4.313 4.120 0.009 0.000 0.264 715 V C -1.940 174.014 176.094 -0.233 0.000 1.048 715 V CA -1.886 60.351 62.300 -0.105 0.000 0.966 715 V CB 0.396 32.205 31.823 -0.022 0.000 1.015 715 V HN 0.626 nan 8.190 nan 0.000 0.477 716 P HA 0.094 nan 4.420 nan 0.000 0.265 716 P C -0.108 177.136 177.300 -0.092 0.000 1.193 716 P CA 0.149 62.953 63.100 -0.493 0.000 0.765 716 P CB 0.474 31.709 31.700 -0.775 0.000 0.823 717 A N 5.125 127.941 122.820 -0.006 0.000 2.524 717 A HA 0.019 4.345 4.320 0.009 0.000 0.250 717 A C 1.394 179.023 177.584 0.075 0.000 1.078 717 A CA -0.481 51.555 52.037 -0.003 0.000 0.761 717 A CB -0.424 18.527 19.000 -0.082 0.000 1.012 717 A HN 0.833 nan 8.150 nan 0.000 0.500 718 W N 1.852 123.232 121.300 0.133 0.000 2.421 718 W HA -0.045 4.620 4.660 0.009 0.000 0.270 718 W C 0.252 176.815 176.519 0.073 0.000 1.233 718 W CA 0.884 58.280 57.345 0.085 0.000 1.226 718 W CB -0.240 29.172 29.460 -0.081 0.000 1.121 718 W HN 0.739 nan 8.180 nan 0.000 0.579 719 E N 2.177 122.368 120.200 -0.015 0.000 2.916 719 E HA 0.233 4.588 4.350 0.009 0.000 0.217 719 E C -0.618 175.954 176.600 -0.047 0.000 1.100 719 E CA -0.203 56.218 56.400 0.036 0.000 0.891 719 E CB 0.367 30.042 29.700 -0.041 0.000 1.311 719 E HN 0.063 nan 8.360 nan 0.000 0.421 720 S N 1.345 117.072 115.700 0.045 0.000 2.632 720 S HA 0.260 4.735 4.470 0.009 0.000 0.289 720 S C 0.854 175.472 174.600 0.029 0.000 1.115 720 S CA -0.797 57.420 58.200 0.028 0.000 0.889 720 S CB 1.655 64.917 63.200 0.103 0.000 1.116 720 S HN 0.384 nan 8.310 nan 0.000 0.486 721 Q N 0.725 120.516 119.800 -0.015 0.000 2.167 721 Q HA -0.091 4.254 4.340 0.009 0.000 0.202 721 Q C 1.635 177.583 176.000 -0.085 0.000 0.970 721 Q CA 1.579 57.360 55.803 -0.037 0.000 0.855 721 Q CB -0.317 28.392 28.738 -0.047 0.000 0.911 721 Q HN 0.865 nan 8.270 nan 0.000 0.438 722 K N -1.220 119.064 120.400 -0.193 0.000 2.358 722 K HA 0.065 4.390 4.320 0.009 0.000 0.197 722 K C 0.718 177.064 176.600 -0.424 0.000 1.025 722 K CA 0.304 56.393 56.287 -0.330 0.000 1.104 722 K CB 0.501 32.735 32.500 -0.444 0.000 0.855 722 K HN 0.162 nan 8.250 nan 0.000 0.531 723 H N -0.040 119.065 119.070 0.058 0.000 2.893 723 H HA 0.190 4.751 4.556 0.008 0.000 0.270 723 H C -0.374 175.017 175.328 0.106 0.000 1.095 723 H CA -0.157 55.944 56.048 0.088 0.000 1.186 723 H CB 1.199 31.025 29.762 0.107 0.000 1.562 723 H HN 0.123 nan 8.280 nan 0.000 0.536 724 S N 1.470 117.267 115.700 0.162 0.000 2.473 724 S HA 0.301 4.776 4.470 0.009 0.000 0.307 724 S C -1.902 172.757 174.600 0.099 0.000 1.094 724 S CA -1.513 56.780 58.200 0.155 0.000 1.070 724 S CB 1.836 65.138 63.200 0.171 0.000 1.019 724 S HN -0.149 nan 8.310 nan 0.000 0.480 725 P HA -0.060 nan 4.420 nan 0.000 0.221 725 P C 1.258 178.581 177.300 0.039 0.000 1.145 725 P CA 0.455 63.588 63.100 0.055 0.000 0.795 725 P CB 0.121 31.855 31.700 0.055 0.000 0.775 726 L N -0.268 121.003 121.223 0.079 0.000 2.127 726 L HA -0.125 4.220 4.340 0.009 0.000 0.211 726 L C 2.367 179.261 176.870 0.041 0.000 1.089 726 L CA 1.612 56.511 54.840 0.099 0.000 0.757 726 L CB -1.949 40.238 42.059 0.214 0.000 0.899 726 L HN -0.058 nan 8.230 nan 0.000 0.434 727 A N -1.044 121.802 122.820 0.044 0.000 2.084 727 A HA -0.187 4.138 4.320 0.009 0.000 0.221 727 A C 2.405 179.961 177.584 -0.046 0.000 1.161 727 A CA 1.778 53.824 52.037 0.013 0.000 0.653 727 A CB -0.790 18.211 19.000 0.003 0.000 0.802 727 A HN 0.255 nan 8.150 nan 0.000 0.457 728 V N -0.158 119.711 119.914 -0.076 0.000 2.261 728 V HA -0.287 3.838 4.120 0.009 0.000 0.246 728 V C 2.419 178.407 176.094 -0.178 0.000 1.047 728 V CA 2.497 64.737 62.300 -0.101 0.000 1.015 728 V CB -0.588 31.184 31.823 -0.085 0.000 0.642 728 V HN 0.597 nan 8.190 nan 0.000 0.446 729 K N -1.251 118.932 120.400 -0.361 0.000 2.186 729 K HA 0.021 4.346 4.320 0.009 0.000 0.202 729 K C -0.091 176.122 176.600 -0.645 0.000 1.052 729 K CA 0.699 56.615 56.287 -0.619 0.000 0.965 729 K CB 0.134 31.960 32.500 -1.124 0.000 0.746 729 K HN 0.485 nan 8.250 nan 0.000 0.457 730 Y N 0.805 121.074 120.300 -0.052 0.000 2.863 730 Y HA 0.221 4.776 4.550 0.009 0.000 0.348 730 Y C -2.064 173.793 175.900 -0.071 0.000 1.028 730 Y CA -3.150 54.888 58.100 -0.104 0.000 1.213 730 Y CB 0.778 39.170 38.460 -0.113 0.000 1.120 730 Y HN -0.023 nan 8.280 nan 0.000 0.598 731 P HA -0.047 nan 4.420 nan 0.000 0.229 731 P C 0.060 177.362 177.300 0.003 0.000 1.160 731 P CA 0.779 63.881 63.100 0.003 0.000 0.777 731 P CB 0.966 32.657 31.700 -0.015 0.000 0.814 732 L N 0.440 121.666 121.223 0.005 0.000 2.290 732 L HA 0.423 4.769 4.340 0.009 0.000 0.284 732 L C 1.100 177.962 176.870 -0.012 0.000 1.078 732 L CA -0.684 54.151 54.840 -0.009 0.000 0.815 732 L CB 0.863 42.911 42.059 -0.020 0.000 1.162 732 L HN -0.097 nan 8.230 nan 0.000 0.435 733 G N 4.398 113.189 108.800 -0.014 0.000 2.320 733 G HA2 0.479 4.444 3.960 0.009 0.000 0.300 733 G HA3 0.479 4.444 3.960 0.009 0.000 0.300 733 G C -0.589 174.298 174.900 -0.021 0.000 1.126 733 G CA -0.470 44.618 45.100 -0.019 0.000 0.896 733 G HN 0.575 nan 8.290 nan 0.000 0.436 734 M N 3.959 123.538 119.600 -0.035 0.000 2.294 734 M HA 0.690 5.175 4.480 0.009 0.000 0.335 734 M C -0.890 175.381 176.300 -0.048 0.000 1.079 734 M CA -1.010 54.263 55.300 -0.044 0.000 0.982 734 M CB 1.600 34.162 32.600 -0.064 0.000 1.651 734 M HN 0.471 nan 8.290 nan 0.000 0.437 735 L N 2.959 124.150 121.223 -0.053 0.000 2.362 735 L HA 0.853 5.198 4.340 0.009 0.000 0.271 735 L C -0.887 175.886 176.870 -0.161 0.000 1.002 735 L CA -0.549 54.260 54.840 -0.053 0.000 0.818 735 L CB 2.185 44.256 42.059 0.020 0.000 1.298 735 L HN 0.772 nan 8.230 nan 0.000 0.420 736 S N 1.054 116.691 115.700 -0.105 0.000 2.112 736 S HA 0.556 5.031 4.470 0.009 0.000 0.151 736 S C -2.610 172.027 174.600 0.061 0.000 1.723 736 S CA -1.085 57.049 58.200 -0.110 0.000 1.263 736 S CB 0.311 63.484 63.200 -0.044 0.000 1.194 736 S HN 0.557 nan 8.310 nan 0.000 0.419 737 P HA 0.148 nan 4.420 nan 0.000 0.285 737 P C -0.136 177.448 177.300 0.473 0.000 1.282 737 P CA -0.320 62.969 63.100 0.314 0.000 0.778 737 P CB 0.232 32.150 31.700 0.362 0.000 1.222 738 H N 0.154 119.284 119.070 0.099 0.000 2.652 738 H HA 0.137 4.699 4.556 0.009 0.000 0.349 738 H C -1.665 173.430 175.328 -0.387 0.000 1.099 738 H CA -1.931 54.067 56.048 -0.084 0.000 1.417 738 H CB -0.183 29.443 29.762 -0.226 0.000 1.457 738 H HN 0.343 nan 8.280 nan 0.000 0.568 739 P HA -0.087 nan 4.420 nan 0.000 0.261 739 P C 0.573 177.516 177.300 -0.595 0.000 1.183 739 P CA 0.022 62.849 63.100 -0.454 0.000 0.761 739 P CB 1.058 32.795 31.700 0.063 0.000 0.785 740 R N 4.120 124.072 120.500 -0.913 0.000 2.081 740 R HA -0.071 4.274 4.340 0.009 0.000 0.235 740 R C 1.007 176.865 176.300 -0.737 0.000 1.131 740 R CA 1.821 57.440 56.100 -0.802 0.000 0.960 740 R CB -0.998 28.740 30.300 -0.937 0.000 0.856 740 R HN 0.441 nan 8.270 nan 0.000 0.436 741 F N -0.308 119.620 119.950 -0.037 0.000 2.750 741 F HA 0.451 4.984 4.527 0.009 0.000 0.297 741 F C -0.012 175.805 175.800 0.030 0.000 1.138 741 F CA -0.249 57.739 58.000 -0.021 0.000 1.346 741 F CB 0.521 39.416 39.000 -0.175 0.000 0.965 741 F HN -0.079 nan 8.300 nan 0.000 0.514 742 S N 0.718 116.495 115.700 0.128 0.000 2.542 742 S HA 0.411 4.886 4.470 0.009 0.000 0.276 742 S C -1.032 173.205 174.600 -0.605 0.000 1.148 742 S CA -0.693 57.428 58.200 -0.132 0.000 0.886 742 S CB 1.099 64.288 63.200 -0.018 0.000 1.109 742 S HN 0.031 nan 8.310 nan 0.000 0.458 743 M N 5.823 124.763 119.600 -1.100 0.000 2.725 743 M HA 0.311 4.797 4.480 0.009 0.000 0.322 743 M C 0.502 176.556 176.300 -0.410 0.000 1.393 743 M CA 0.949 55.692 55.300 -0.929 0.000 1.452 743 M CB -2.047 30.058 32.600 -0.824 0.000 1.242 743 M HN 0.948 nan 8.290 nan 0.000 0.487 744 H N 0.332 119.232 119.070 -0.283 0.000 1.452 744 H HA -0.264 4.298 4.556 0.009 0.000 0.090 744 H C 1.231 176.484 175.328 -0.126 0.000 0.692 744 H CA 2.559 58.492 56.048 -0.191 0.000 1.901 744 H CB -1.496 28.162 29.762 -0.172 0.000 2.257 744 H HN 0.610 nan 8.280 nan 0.000 0.961 745 T N 0.189 114.773 114.554 0.050 0.000 3.055 745 T HA 0.127 4.483 4.350 0.009 0.000 0.265 745 T C 1.389 176.024 174.700 -0.108 0.000 1.111 745 T CA 1.112 63.189 62.100 -0.038 0.000 1.118 745 T CB -0.136 68.696 68.868 -0.059 0.000 0.909 745 T HN 0.279 nan 8.240 nan 0.000 0.501 746 M N 2.085 121.629 119.600 -0.094 0.000 3.237 746 M HA 0.458 4.943 4.480 0.009 0.000 0.266 746 M C 1.262 177.453 176.300 -0.182 0.000 1.456 746 M CA 0.103 55.314 55.300 -0.149 0.000 1.593 746 M CB 0.116 32.735 32.600 0.031 0.000 1.129 746 M HN 0.565 nan 8.290 nan 0.000 0.547 747 G N 0.337 108.994 108.800 -0.238 0.000 3.859 747 G HA2 -0.129 3.836 3.960 0.009 0.000 0.198 747 G HA3 -0.129 3.836 3.960 0.009 0.000 0.198 747 G C -0.274 174.524 174.900 -0.169 0.000 0.972 747 G CA -0.611 44.394 45.100 -0.160 0.000 0.882 747 G HN 0.508 nan 8.290 nan 0.000 0.364 748 D N 0.855 121.216 120.400 -0.064 0.000 2.360 748 D HA 0.484 5.129 4.640 0.009 0.000 0.242 748 D C 1.447 177.709 176.300 -0.063 0.000 1.184 748 D CA 1.887 55.950 54.000 0.105 0.000 0.930 748 D CB 0.575 41.576 40.800 0.334 0.000 1.161 748 D HN 1.233 nan 8.370 nan 0.000 0.447 749 G N 1.785 110.580 108.800 -0.008 0.000 2.581 749 G HA2 -0.388 3.577 3.960 0.009 0.000 0.291 749 G HA3 -0.388 3.577 3.960 0.009 0.000 0.291 749 G C 0.260 175.037 174.900 -0.205 0.000 1.277 749 G CA 0.672 45.705 45.100 -0.111 0.000 0.959 749 G HN 0.886 nan 8.290 nan 0.000 0.554 750 K N -1.163 119.116 120.400 -0.201 0.000 3.274 750 K HA -0.331 3.994 4.320 0.009 0.000 0.305 750 K C 0.800 177.304 176.600 -0.161 0.000 1.225 750 K CA 1.372 57.522 56.287 -0.230 0.000 0.904 750 K CB -1.408 30.749 32.500 -0.571 0.000 1.227 750 K HN 1.812 nan 8.250 nan 0.000 0.453 751 N N -0.226 118.388 118.700 -0.143 0.000 2.725 751 N HA -0.195 4.550 4.740 0.009 0.000 0.249 751 N C -0.183 175.239 175.510 -0.146 0.000 1.103 751 N CA 1.054 54.033 53.050 -0.118 0.000 0.707 751 N CB -0.727 37.737 38.487 -0.038 0.000 1.043 751 N HN 0.607 nan 8.380 nan 0.000 0.553 752 S N -1.416 114.148 115.700 -0.225 0.000 2.608 752 S HA 0.223 4.699 4.470 0.009 0.000 0.261 752 S C 1.251 175.786 174.600 -0.108 0.000 1.314 752 S CA -0.260 57.773 58.200 -0.277 0.000 0.992 752 S CB 0.416 63.433 63.200 -0.304 0.000 0.935 752 S HN 0.186 nan 8.310 nan 0.000 0.564 753 Y N 0.099 120.405 120.300 0.010 0.000 2.373 753 Y HA 0.038 4.594 4.550 0.009 0.000 0.293 753 Y C 2.328 178.250 175.900 0.037 0.000 1.129 753 Y CA 0.417 58.609 58.100 0.152 0.000 1.226 753 Y CB -1.171 37.351 38.460 0.104 0.000 1.000 753 Y HN 0.474 nan 8.280 nan 0.000 0.549 754 M N 0.127 119.753 119.600 0.043 0.000 2.267 754 M HA -0.203 4.283 4.480 0.009 0.000 0.263 754 M C 1.526 177.703 176.300 -0.205 0.000 1.063 754 M CA 1.196 56.420 55.300 -0.126 0.000 1.090 754 M CB -0.688 31.782 32.600 -0.216 0.000 1.392 754 M HN 0.177 nan 8.290 nan 0.000 0.422 755 N N -0.954 117.624 118.700 -0.203 0.000 2.520 755 N HA -0.117 4.629 4.740 0.009 0.000 0.185 755 N C 0.869 176.180 175.510 -0.331 0.000 1.068 755 N CA 1.090 54.017 53.050 -0.205 0.000 0.911 755 N CB -0.130 38.125 38.487 -0.386 0.000 0.961 755 N HN 0.524 nan 8.380 nan 0.000 0.446 756 Y N 0.572 120.866 120.300 -0.010 0.000 2.466 756 Y HA 0.293 4.848 4.550 0.009 0.000 0.272 756 Y C 0.885 176.727 175.900 -0.097 0.000 1.169 756 Y CA -0.398 57.678 58.100 -0.039 0.000 1.285 756 Y CB 0.197 38.638 38.460 -0.032 0.000 1.078 756 Y HN -0.116 nan 8.280 nan 0.000 0.523 757 I N 1.366 121.888 120.570 -0.079 0.000 2.533 757 I HA -0.064 4.111 4.170 0.009 0.000 0.284 757 I C 1.186 177.177 176.117 -0.210 0.000 1.109 757 I CA 0.161 61.307 61.300 -0.257 0.000 1.412 757 I CB 1.185 38.796 38.000 -0.648 0.000 1.396 757 I HN 0.231 nan 8.210 nan 0.000 0.543 758 K N 3.209 123.508 120.400 -0.167 0.000 2.059 758 K HA -0.231 4.095 4.320 0.009 0.000 0.212 758 K C 0.844 177.392 176.600 -0.088 0.000 1.050 758 K CA 1.702 57.932 56.287 -0.095 0.000 0.927 758 K CB -0.094 32.366 32.500 -0.065 0.000 0.714 758 K HN 0.568 nan 8.250 nan 0.000 0.447 759 D N -0.777 119.551 120.400 -0.119 0.000 2.434 759 D HA -0.009 4.636 4.640 0.009 0.000 0.232 759 D C 0.754 177.130 176.300 0.126 0.000 1.166 759 D CA 0.207 54.234 54.000 0.045 0.000 0.830 759 D CB 0.203 41.146 40.800 0.238 0.000 0.960 759 D HN 0.233 nan 8.370 nan 0.000 0.497 760 H N -0.745 118.214 119.070 -0.185 0.000 2.274 760 H HA 0.446 5.007 4.556 0.009 0.000 0.271 760 H C -0.049 175.132 175.328 -0.245 0.000 0.945 760 H CA 0.523 56.472 56.048 -0.164 0.000 1.200 760 H CB 0.663 30.284 29.762 -0.235 0.000 1.456 760 H HN -0.174 nan 8.280 nan 0.000 0.536 761 R N 0.081 120.440 120.500 -0.235 0.000 2.771 761 R HA 0.550 4.895 4.340 0.009 0.000 0.274 761 R C -1.655 174.610 176.300 -0.059 0.000 0.987 761 R CA -1.026 54.959 56.100 -0.191 0.000 0.908 761 R CB 3.217 33.428 30.300 -0.148 0.000 1.213 761 R HN -0.010 nan 8.270 nan 0.000 0.468 762 V N 1.603 121.528 119.914 0.018 0.000 2.409 762 V HA 0.223 4.348 4.120 0.009 0.000 0.291 762 V C -0.136 176.046 176.094 0.147 0.000 1.020 762 V CA -0.728 61.611 62.300 0.065 0.000 0.848 762 V CB 1.507 33.368 31.823 0.064 0.000 0.990 762 V HN 0.713 nan 8.190 nan 0.000 0.430 763 E N 3.860 124.130 120.200 0.116 0.000 2.257 763 E HA 0.426 4.781 4.350 0.009 0.000 0.278 763 E C -1.314 175.410 176.600 0.207 0.000 1.049 763 E CA -0.209 56.285 56.400 0.156 0.000 0.876 763 E CB 1.195 30.959 29.700 0.107 0.000 1.035 763 E HN 0.505 nan 8.360 nan 0.000 0.419 764 V N 5.782 125.899 119.914 0.338 0.000 2.409 764 V HA 0.121 4.247 4.120 0.009 0.000 0.290 764 V C -0.673 175.621 176.094 0.333 0.000 1.017 764 V CA -0.736 61.737 62.300 0.288 0.000 0.841 764 V CB 1.561 33.513 31.823 0.215 0.000 1.003 764 V HN 0.914 nan 8.190 nan 0.000 0.426 765 D N 4.401 124.928 120.400 0.212 0.000 2.699 765 D HA -0.187 4.459 4.640 0.009 0.000 0.239 765 D C 1.277 177.700 176.300 0.205 0.000 1.136 765 D CA 1.553 55.665 54.000 0.186 0.000 0.668 765 D CB -1.039 39.871 40.800 0.184 0.000 1.060 765 D HN 1.401 nan 8.370 nan 0.000 0.429 766 G N -0.648 108.261 108.800 0.182 0.000 2.205 766 G HA2 -0.369 3.596 3.960 0.009 0.000 0.261 766 G HA3 -0.369 3.596 3.960 0.009 0.000 0.261 766 G C -0.039 174.968 174.900 0.179 0.000 0.980 766 G CA 0.523 45.717 45.100 0.158 0.000 0.632 766 G HN 0.551 nan 8.290 nan 0.000 0.533 767 Y N 1.446 121.793 120.300 0.078 0.000 2.364 767 Y HA 0.605 5.160 4.550 0.009 0.000 0.340 767 Y C 0.136 175.991 175.900 -0.076 0.000 0.975 767 Y CA -1.123 56.931 58.100 -0.077 0.000 1.089 767 Y CB 1.226 39.541 38.460 -0.242 0.000 1.192 767 Y HN 0.042 nan 8.280 nan 0.000 0.454 768 K N 6.730 126.815 120.400 -0.524 0.000 2.250 768 K HA 0.208 4.533 4.320 0.009 0.000 0.280 768 K C -1.482 174.959 176.600 -0.265 0.000 1.098 768 K CA -0.337 55.794 56.287 -0.259 0.000 0.916 768 K CB 0.413 32.748 32.500 -0.275 0.000 1.209 768 K HN 0.495 nan 8.250 nan 0.000 0.461 769 Y N 1.125 121.470 120.300 0.074 0.000 2.300 769 Y HA 0.094 4.649 4.550 0.009 0.000 0.328 769 Y C 0.675 176.649 175.900 0.122 0.000 1.270 769 Y CA -0.739 57.464 58.100 0.172 0.000 1.352 769 Y CB 0.576 39.153 38.460 0.195 0.000 1.286 769 Y HN 0.527 nan 8.280 nan 0.000 0.536 770 W N 3.999 125.365 121.300 0.110 0.000 2.202 770 W HA 0.355 5.020 4.660 0.009 0.000 0.332 770 W C -0.993 175.542 176.519 0.026 0.000 1.263 770 W CA -0.660 56.682 57.345 -0.005 0.000 1.223 770 W CB 0.540 29.990 29.460 -0.016 0.000 1.128 770 W HN 0.409 nan 8.180 nan 0.000 0.573 771 I N 6.485 126.870 120.570 -0.308 0.000 2.396 771 I HA 0.250 4.425 4.170 0.009 0.000 0.292 771 I C 0.299 176.355 176.117 -0.102 0.000 0.999 771 I CA -0.526 60.666 61.300 -0.180 0.000 1.310 771 I CB 1.515 39.376 38.000 -0.231 0.000 1.404 771 I HN 0.252 nan 8.210 nan 0.000 0.496 772 M N 6.321 125.907 119.600 -0.023 0.000 2.259 772 M HA 0.470 4.955 4.480 0.009 0.000 0.304 772 M C -1.213 175.067 176.300 -0.034 0.000 1.019 772 M CA -0.515 54.779 55.300 -0.009 0.000 0.922 772 M CB 1.443 34.057 32.600 0.023 0.000 1.600 772 M HN 0.494 nan 8.290 nan 0.000 0.433 773 R N 3.289 123.756 120.500 -0.055 0.000 2.254 773 R HA 0.659 5.004 4.340 0.009 0.000 0.318 773 R C -1.240 175.036 176.300 -0.040 0.000 1.031 773 R CA -0.621 55.434 56.100 -0.076 0.000 0.905 773 R CB 1.386 31.575 30.300 -0.185 0.000 1.050 773 R HN 0.498 nan 8.270 nan 0.000 0.456 774 V N 2.881 122.783 119.914 -0.021 0.000 2.656 774 V HA 0.174 4.299 4.120 0.009 0.000 0.307 774 V C -0.023 176.076 176.094 0.008 0.000 1.051 774 V CA -1.159 61.139 62.300 -0.002 0.000 0.893 774 V CB 1.913 33.738 31.823 0.004 0.000 0.999 774 V HN 0.750 nan 8.190 nan 0.000 0.426 775 N N 2.253 120.965 118.700 0.020 0.000 2.458 775 N HA -0.031 4.715 4.740 0.009 0.000 0.258 775 N C 1.549 177.072 175.510 0.021 0.000 1.219 775 N CA 0.758 53.826 53.050 0.030 0.000 0.902 775 N CB 1.557 40.066 38.487 0.037 0.000 1.076 775 N HN 0.885 nan 8.380 nan 0.000 0.455 776 S N 4.475 120.188 115.700 0.022 0.000 2.392 776 S HA -0.215 4.260 4.470 0.009 0.000 0.232 776 S C 2.023 176.632 174.600 0.015 0.000 1.041 776 S CA 1.049 59.259 58.200 0.017 0.000 1.026 776 S CB -0.440 62.770 63.200 0.017 0.000 0.845 776 S HN 0.682 nan 8.310 nan 0.000 0.465 777 I N 2.436 123.014 120.570 0.015 0.000 2.226 777 I HA -0.174 4.001 4.170 0.009 0.000 0.245 777 I C 2.196 178.319 176.117 0.010 0.000 1.100 777 I CA 1.719 63.025 61.300 0.010 0.000 1.374 777 I CB -0.456 37.549 38.000 0.007 0.000 1.057 777 I HN 0.301 nan 8.210 nan 0.000 0.413 778 D N 0.996 121.403 120.400 0.011 0.000 2.149 778 D HA -0.076 4.569 4.640 0.009 0.000 0.201 778 D C 2.260 178.569 176.300 0.016 0.000 0.972 778 D CA 1.356 55.363 54.000 0.012 0.000 0.835 778 D CB -0.084 40.722 40.800 0.010 0.000 0.966 778 D HN 0.330 nan 8.370 nan 0.000 0.476 779 A N 1.544 124.373 122.820 0.016 0.000 1.877 779 A HA -0.202 4.123 4.320 0.009 0.000 0.216 779 A C 2.153 179.749 177.584 0.020 0.000 1.186 779 A CA 1.411 53.459 52.037 0.019 0.000 0.620 779 A CB -0.439 18.570 19.000 0.016 0.000 0.822 779 A HN 0.051 nan 8.150 nan 0.000 0.443 780 E N 0.489 120.699 120.200 0.016 0.000 2.085 780 E HA -0.167 4.188 4.350 0.009 0.000 0.194 780 E C 2.068 178.678 176.600 0.016 0.000 0.994 780 E CA 1.375 57.784 56.400 0.015 0.000 0.801 780 E CB -0.366 29.341 29.700 0.012 0.000 0.743 780 E HN 0.467 nan 8.360 nan 0.000 0.453 781 A N 0.666 123.496 122.820 0.016 0.000 2.172 781 A HA -0.073 4.252 4.320 0.009 0.000 0.216 781 A C 1.895 179.493 177.584 0.024 0.000 1.154 781 A CA 0.818 52.865 52.037 0.017 0.000 0.701 781 A CB -0.204 18.804 19.000 0.014 0.000 0.789 781 A HN 0.144 nan 8.150 nan 0.000 0.465 782 R N -1.782 118.735 120.500 0.029 0.000 2.508 782 R HA 0.271 4.616 4.340 0.009 0.000 0.300 782 R C 1.006 177.329 176.300 0.039 0.000 0.970 782 R CA 0.400 56.524 56.100 0.039 0.000 1.102 782 R CB 0.304 30.632 30.300 0.047 0.000 1.246 782 R HN 0.539 nan 8.270 nan 0.000 0.539 783 G N 1.977 110.795 108.800 0.030 0.000 2.179 783 G HA2 -0.283 3.683 3.960 0.009 0.000 0.257 783 G HA3 -0.283 3.683 3.960 0.009 0.000 0.257 783 G C 0.133 175.050 174.900 0.029 0.000 1.010 783 G CA 0.114 45.230 45.100 0.027 0.000 0.736 783 G HN 0.268 nan 8.290 nan 0.000 0.513 784 I N 0.115 120.703 120.570 0.030 0.000 2.365 784 I HA 0.387 4.562 4.170 0.009 0.000 0.291 784 I C 0.604 176.734 176.117 0.022 0.000 1.004 784 I CA -0.327 60.991 61.300 0.030 0.000 1.311 784 I CB 1.292 39.312 38.000 0.033 0.000 1.401 784 I HN -0.025 nan 8.210 nan 0.000 0.491 785 K N 4.378 124.789 120.400 0.020 0.000 2.281 785 K HA 0.316 4.641 4.320 0.009 0.000 0.242 785 K C -0.361 176.247 176.600 0.013 0.000 0.971 785 K CA -0.927 55.369 56.287 0.015 0.000 0.834 785 K CB 1.642 34.150 32.500 0.013 0.000 1.181 785 K HN 0.511 nan 8.250 nan 0.000 0.435 786 N N 0.267 118.973 118.700 0.009 0.000 2.412 786 N HA -0.073 4.672 4.740 0.009 0.000 0.258 786 N C 0.669 176.184 175.510 0.009 0.000 1.236 786 N CA 1.191 54.245 53.050 0.007 0.000 0.882 786 N CB 0.248 38.738 38.487 0.005 0.000 1.066 786 N HN 0.804 nan 8.380 nan 0.000 0.465 787 G N 2.263 111.068 108.800 0.008 0.000 2.241 787 G HA2 -0.234 3.731 3.960 0.009 0.000 0.244 787 G HA3 -0.234 3.731 3.960 0.009 0.000 0.244 787 G C -0.200 174.704 174.900 0.005 0.000 0.998 787 G CA -0.109 44.998 45.100 0.011 0.000 0.621 787 G HN 0.626 nan 8.290 nan 0.000 0.519 788 D N 0.544 120.948 120.400 0.007 0.000 2.382 788 D HA 0.427 5.072 4.640 0.009 0.000 0.240 788 D C 1.051 177.348 176.300 -0.005 0.000 1.146 788 D CA 0.025 54.031 54.000 0.010 0.000 0.897 788 D CB 0.699 41.514 40.800 0.024 0.000 1.197 788 D HN 0.293 nan 8.370 nan 0.000 0.432 789 L N 2.528 123.750 121.223 -0.001 0.000 2.290 789 L HA 0.388 4.733 4.340 0.009 0.000 0.284 789 L C 0.431 177.356 176.870 0.092 0.000 1.078 789 L CA -0.463 54.361 54.840 -0.025 0.000 0.815 789 L CB 0.299 42.358 42.059 -0.002 0.000 1.162 789 L HN 0.262 nan 8.230 nan 0.000 0.435 790 I N 0.823 121.419 120.570 0.043 0.000 3.002 790 I HA 0.623 4.798 4.170 0.009 0.000 0.310 790 I C -0.621 175.509 176.117 0.023 0.000 1.087 790 I CA -1.057 60.294 61.300 0.086 0.000 1.017 790 I CB 2.203 40.239 38.000 0.059 0.000 1.226 790 I HN 0.567 nan 8.210 nan 0.000 0.443 791 R N 3.144 123.683 120.500 0.065 0.000 2.360 791 R HA 0.755 5.100 4.340 0.009 0.000 0.318 791 R C -1.211 175.144 176.300 0.092 0.000 0.950 791 R CA -0.480 55.611 56.100 -0.016 0.000 0.837 791 R CB 1.612 31.887 30.300 -0.042 0.000 1.165 791 R HN 0.957 nan 8.270 nan 0.000 0.458 792 A N 4.813 127.649 122.820 0.026 0.000 2.290 792 A HA 0.521 4.846 4.320 0.009 0.000 0.310 792 A C -1.323 176.284 177.584 0.038 0.000 1.202 792 A CA -0.496 51.545 52.037 0.008 0.000 0.837 792 A CB 0.330 19.304 19.000 -0.043 0.000 1.139 792 A HN 0.807 nan 8.150 nan 0.000 0.509 793 Y N 0.881 121.095 120.300 -0.144 0.000 2.638 793 Y HA 0.746 5.302 4.550 0.009 0.000 0.335 793 Y C -0.675 174.997 175.900 -0.381 0.000 1.155 793 Y CA -1.078 56.904 58.100 -0.197 0.000 1.046 793 Y CB 1.155 39.546 38.460 -0.115 0.000 1.303 793 Y HN 0.808 nan 8.280 nan 0.000 0.460 794 N N -1.508 116.979 118.700 -0.356 0.000 3.517 794 N HA 0.221 4.966 4.740 0.009 0.000 0.329 794 N C -0.727 174.679 175.510 -0.174 0.000 1.569 794 N CA -0.407 52.052 53.050 -0.985 0.000 0.852 794 N CB 0.119 37.975 38.487 -1.053 0.000 1.955 794 N HN 0.527 nan 8.380 nan 0.000 0.555 795 D N -0.506 119.864 120.400 -0.050 0.000 2.310 795 D HA -0.027 4.618 4.640 0.009 0.000 0.212 795 D C 0.983 177.372 176.300 0.149 0.000 0.965 795 D CA 0.879 54.997 54.000 0.196 0.000 0.879 795 D CB -0.017 40.908 40.800 0.208 0.000 0.921 795 D HN 0.436 nan 8.370 nan 0.000 0.510 796 R N -0.144 120.342 120.500 -0.024 0.000 2.246 796 R HA 0.335 4.680 4.340 0.009 0.000 0.199 796 R C 1.220 177.293 176.300 -0.378 0.000 0.984 796 R CA 0.487 56.523 56.100 -0.106 0.000 1.015 796 R CB 0.690 30.921 30.300 -0.116 0.000 0.930 796 R HN 0.103 nan 8.270 nan 0.000 0.475 797 G N -1.141 107.289 108.800 -0.617 0.000 2.345 797 G HA2 0.140 4.106 3.960 0.009 0.000 0.285 797 G HA3 0.140 4.106 3.960 0.009 0.000 0.285 797 G C -1.391 173.138 174.900 -0.619 0.000 1.297 797 G CA -0.817 43.448 45.100 -1.391 0.000 0.875 797 G HN -0.017 nan 8.290 nan 0.000 0.506 798 S N -1.550 113.891 115.700 -0.432 0.000 2.549 798 S HA 0.804 5.279 4.470 0.009 0.000 0.280 798 S C -0.837 173.678 174.600 -0.141 0.000 1.109 798 S CA -0.557 57.564 58.200 -0.132 0.000 0.905 798 S CB 2.057 65.216 63.200 -0.069 0.000 1.081 798 S HN 1.185 nan 8.310 nan 0.000 0.477 799 V N 2.991 122.826 119.914 -0.132 0.000 2.686 799 V HA 0.499 4.624 4.120 0.009 0.000 0.306 799 V C -1.198 174.793 176.094 -0.172 0.000 1.065 799 V CA -0.661 61.559 62.300 -0.132 0.000 0.894 799 V CB 1.706 33.471 31.823 -0.098 0.000 1.004 799 V HN 0.746 nan 8.190 nan 0.000 0.424 800 I N 5.798 126.223 120.570 -0.243 0.000 2.342 800 I HA 0.548 4.723 4.170 0.009 0.000 0.291 800 I C -0.095 175.981 176.117 -0.068 0.000 1.010 800 I CA 0.377 61.467 61.300 -0.350 0.000 1.308 800 I CB 0.983 38.514 38.000 -0.783 0.000 1.400 800 I HN 0.420 nan 8.210 nan 0.000 0.488 801 L N 4.825 126.020 121.223 -0.047 0.000 2.303 801 L HA 0.880 5.226 4.340 0.009 0.000 0.256 801 L C -0.272 176.600 176.870 0.004 0.000 1.034 801 L CA -1.082 53.805 54.840 0.078 0.000 0.832 801 L CB 1.687 43.807 42.059 0.101 0.000 1.403 801 L HN 0.561 nan 8.230 nan 0.000 0.419 802 A N 0.718 123.575 122.820 0.061 0.000 2.290 802 A HA 0.812 5.138 4.320 0.009 0.000 0.310 802 A C -0.182 177.407 177.584 0.010 0.000 1.202 802 A CA -0.368 51.675 52.037 0.011 0.000 0.837 802 A CB 0.895 19.932 19.000 0.062 0.000 1.139 802 A HN 0.708 nan 8.150 nan 0.000 0.509 803 A N 2.135 124.955 122.820 0.001 0.000 2.331 803 A HA 0.572 4.898 4.320 0.009 0.000 0.283 803 A C 0.078 177.660 177.584 -0.004 0.000 1.142 803 A CA -0.300 51.738 52.037 0.002 0.000 0.812 803 A CB 0.338 19.343 19.000 0.010 0.000 1.074 803 A HN 0.854 nan 8.150 nan 0.000 0.497 804 Q N 2.866 122.658 119.800 -0.013 0.000 2.464 804 Q HA 0.468 4.813 4.340 0.009 0.000 0.256 804 Q C -1.481 174.510 176.000 -0.016 0.000 1.020 804 Q CA -0.460 55.333 55.803 -0.017 0.000 0.716 804 Q CB 1.212 29.931 28.738 -0.032 0.000 1.230 804 Q HN 0.572 nan 8.270 nan 0.000 0.494 805 V N 3.226 123.136 119.914 -0.006 0.000 2.572 805 V HA 0.305 4.430 4.120 0.009 0.000 0.291 805 V C 0.428 176.521 176.094 -0.003 0.000 1.039 805 V CA 0.372 62.671 62.300 -0.001 0.000 1.055 805 V CB 1.110 32.936 31.823 0.005 0.000 0.969 805 V HN 0.805 nan 8.190 nan 0.000 0.482 806 T N 2.634 117.189 114.554 0.001 0.000 2.787 806 T HA 0.399 4.754 4.350 0.009 0.000 0.297 806 T C 0.008 174.724 174.700 0.027 0.000 1.221 806 T CA -0.497 61.605 62.100 0.003 0.000 1.006 806 T CB 2.094 70.955 68.868 -0.011 0.000 1.328 806 T HN 0.642 nan 8.240 nan 0.000 0.509 807 E N 0.453 120.673 120.200 0.033 0.000 2.526 807 E HA 0.202 4.557 4.350 0.009 0.000 0.208 807 E C 0.877 177.562 176.600 0.142 0.000 0.997 807 E CA 0.134 56.581 56.400 0.079 0.000 0.961 807 E CB 0.035 29.774 29.700 0.066 0.000 1.030 807 E HN 0.568 nan 8.360 nan 0.000 0.483 808 C N 1.604 120.939 119.300 0.059 0.000 2.340 808 C HA 0.313 4.779 4.460 0.009 0.000 0.375 808 C C 0.617 175.783 174.990 0.294 0.000 1.306 808 C CA -0.019 58.984 59.018 -0.025 0.000 1.622 808 C CB -1.908 25.721 27.740 -0.184 0.000 1.719 808 C HN 0.141 nan 8.230 nan 0.000 0.592 809 L N -0.099 121.377 121.223 0.423 0.000 2.545 809 L HA 0.302 4.647 4.340 0.009 0.000 0.258 809 L C -0.364 176.640 176.870 0.223 0.000 0.942 809 L CA -0.424 54.635 54.840 0.364 0.000 0.855 809 L CB 1.396 43.562 42.059 0.177 0.000 1.374 809 L HN 0.097 nan 8.230 nan 0.000 0.411 810 Q N 3.191 123.056 119.800 0.108 0.000 2.337 810 Q HA 0.250 4.595 4.340 0.009 0.000 0.270 810 Q C -2.296 173.713 176.000 0.014 0.000 1.002 810 Q CA -1.295 54.504 55.803 -0.006 0.000 0.888 810 Q CB 1.088 29.775 28.738 -0.085 0.000 1.222 810 Q HN 0.224 nan 8.270 nan 0.000 0.400 811 P HA -0.038 nan 4.420 nan 0.000 0.264 811 P C 0.054 177.348 177.300 -0.009 0.000 1.183 811 P CA 1.532 64.633 63.100 0.001 0.000 0.763 811 P CB 0.452 32.147 31.700 -0.008 0.000 0.807 812 G N 1.299 110.098 108.800 -0.003 0.000 2.176 812 G HA2 -0.167 3.799 3.960 0.009 0.000 0.232 812 G HA3 -0.167 3.799 3.960 0.009 0.000 0.232 812 G C 0.089 174.986 174.900 -0.004 0.000 0.986 812 G CA -0.071 45.023 45.100 -0.009 0.000 0.643 812 G HN 0.610 nan 8.290 nan 0.000 0.522 813 T N 0.836 115.396 114.554 0.010 0.000 2.824 813 T HA 0.676 5.032 4.350 0.009 0.000 0.282 813 T C 0.139 174.855 174.700 0.027 0.000 0.993 813 T CA 0.102 62.215 62.100 0.020 0.000 0.967 813 T CB 2.502 71.396 68.868 0.042 0.000 0.960 813 T HN 1.365 nan 8.240 nan 0.000 0.441 814 V N 0.460 120.383 119.914 0.015 0.000 3.019 814 V HA 0.768 4.893 4.120 0.009 0.000 0.317 814 V C -0.848 175.260 176.094 0.023 0.000 1.094 814 V CA -0.833 61.472 62.300 0.009 0.000 1.000 814 V CB 2.122 33.938 31.823 -0.012 0.000 1.060 814 V HN 0.973 nan 8.190 nan 0.000 0.443 815 H N 1.491 120.471 119.070 -0.150 0.000 2.865 815 H HA 0.719 5.280 4.556 0.009 0.000 0.362 815 H C -1.671 173.506 175.328 -0.252 0.000 1.114 815 H CA 0.086 55.992 56.048 -0.236 0.000 1.208 815 H CB 2.139 31.639 29.762 -0.437 0.000 1.727 815 H HN 0.993 nan 8.280 nan 0.000 0.534 816 S N 5.072 120.479 115.700 -0.490 0.000 2.626 816 S HA 0.325 4.800 4.470 0.009 0.000 0.275 816 S C -1.343 173.146 174.600 -0.186 0.000 1.175 816 S CA -0.527 57.546 58.200 -0.212 0.000 0.982 816 S CB 0.374 63.609 63.200 0.059 0.000 1.093 816 S HN 0.519 nan 8.310 nan 0.000 0.472 817 Y N 2.675 123.018 120.300 0.072 0.000 2.550 817 Y HA 0.191 4.746 4.550 0.009 0.000 0.343 817 Y C 1.336 177.483 175.900 0.413 0.000 1.245 817 Y CA 0.088 58.311 58.100 0.206 0.000 1.462 817 Y CB 0.579 39.206 38.460 0.278 0.000 1.340 817 Y HN 0.796 nan 8.280 nan 0.000 0.604 818 E N -1.177 119.269 120.200 0.410 0.000 2.961 818 E HA 0.480 4.835 4.350 0.009 0.000 0.254 818 E C -0.078 176.600 176.600 0.131 0.000 1.192 818 E CA -0.281 56.214 56.400 0.159 0.000 1.069 818 E CB 0.723 30.459 29.700 0.060 0.000 1.338 818 E HN 0.496 nan 8.360 nan 0.000 0.596 819 S N -2.407 113.267 115.700 -0.044 0.000 3.228 819 S HA -0.246 4.230 4.470 0.009 0.000 0.282 819 S C 0.306 174.806 174.600 -0.166 0.000 1.286 819 S CA 0.527 58.698 58.200 -0.048 0.000 1.066 819 S CB -2.695 60.578 63.200 0.122 0.000 1.277 819 S HN 0.823 nan 8.310 nan 0.000 0.661 820 C N 2.309 121.313 119.300 -0.494 0.000 2.538 820 C HA 0.437 4.902 4.460 0.009 0.000 0.408 820 C C 1.863 176.650 174.990 -0.339 0.000 1.421 820 C CA 0.457 59.013 59.018 -0.769 0.000 1.642 820 C CB -0.358 26.670 27.740 -1.187 0.000 2.553 820 C HN 0.802 nan 8.230 nan 0.000 0.604 821 A N 4.831 127.530 122.820 -0.202 0.000 2.178 821 A HA 0.314 4.639 4.320 0.009 0.000 0.211 821 A C 0.635 178.149 177.584 -0.117 0.000 1.157 821 A CA 0.400 52.354 52.037 -0.139 0.000 0.780 821 A CB -0.039 18.886 19.000 -0.124 0.000 0.828 821 A HN 0.823 nan 8.150 nan 0.000 0.476 822 V N 0.566 120.408 119.914 -0.121 0.000 2.370 822 V HA 0.259 4.384 4.120 0.009 0.000 0.279 822 V C -0.799 175.288 176.094 -0.011 0.000 1.029 822 V CA -0.495 61.763 62.300 -0.069 0.000 0.870 822 V CB 0.729 32.514 31.823 -0.063 0.000 0.984 822 V HN 0.386 nan 8.190 nan 0.000 0.451 823 Y N 4.408 124.637 120.300 -0.117 0.000 2.402 823 Y HA 0.609 5.164 4.550 0.009 0.000 0.332 823 Y C -0.420 175.443 175.900 -0.062 0.000 0.960 823 Y CA -1.524 56.523 58.100 -0.088 0.000 1.228 823 Y CB 1.318 39.744 38.460 -0.057 0.000 1.120 823 Y HN 0.703 nan 8.280 nan 0.000 0.491 824 D N 8.953 129.079 120.400 -0.456 0.000 2.400 824 D HA 0.356 5.001 4.640 0.009 0.000 0.272 824 D C -3.102 172.931 176.300 -0.445 0.000 1.220 824 D CA -2.317 51.449 54.000 -0.391 0.000 0.897 824 D CB 1.238 41.967 40.800 -0.118 0.000 1.134 824 D HN 0.214 nan 8.370 nan 0.000 0.507 825 P HA 0.113 nan 4.420 nan 0.000 0.268 825 P C 0.957 178.162 177.300 -0.158 0.000 1.204 825 P CA -0.211 62.677 63.100 -0.353 0.000 0.768 825 P CB 1.003 32.519 31.700 -0.307 0.000 0.842 826 L N 0.985 122.172 121.223 -0.059 0.000 2.492 826 L HA 0.179 4.524 4.340 0.009 0.000 0.223 826 L C 1.462 178.356 176.870 0.040 0.000 1.132 826 L CA 0.783 55.628 54.840 0.008 0.000 0.850 826 L CB -0.411 41.702 42.059 0.090 0.000 0.966 826 L HN 0.547 nan 8.230 nan 0.000 0.454 827 G N -1.136 107.692 108.800 0.046 0.000 3.259 827 G HA2 0.265 4.230 3.960 0.009 0.000 0.178 827 G HA3 0.265 4.230 3.960 0.009 0.000 0.178 827 G C -0.700 174.236 174.900 0.059 0.000 1.129 827 G CA -0.210 44.926 45.100 0.061 0.000 0.816 827 G HN -0.148 nan 8.290 nan 0.000 0.634 828 T N 1.462 116.068 114.554 0.086 0.000 2.930 828 T HA 0.466 4.821 4.350 0.009 0.000 0.306 828 T C 0.760 175.555 174.700 0.158 0.000 1.045 828 T CA 0.472 62.635 62.100 0.104 0.000 1.134 828 T CB 0.950 69.882 68.868 0.107 0.000 0.961 828 T HN 0.863 nan 8.240 nan 0.000 0.545 829 A N 2.176 125.113 122.820 0.194 0.000 2.511 829 A HA 0.488 4.814 4.320 0.009 0.000 0.242 829 A C 1.672 179.467 177.584 0.351 0.000 1.069 829 A CA 0.168 52.417 52.037 0.353 0.000 0.763 829 A CB -0.879 18.400 19.000 0.465 0.000 1.001 829 A HN 1.624 nan 8.150 nan 0.000 0.498 830 G N 1.742 110.778 108.800 0.393 0.000 2.189 830 G HA2 -0.300 3.665 3.960 0.009 0.000 0.267 830 G HA3 -0.300 3.665 3.960 0.009 0.000 0.267 830 G C 0.657 175.689 174.900 0.219 0.000 0.975 830 G CA 1.099 46.341 45.100 0.236 0.000 0.644 830 G HN 0.845 nan 8.290 nan 0.000 0.537 831 K N -0.359 120.192 120.400 0.253 0.000 2.477 831 K HA 0.317 4.642 4.320 0.009 0.000 0.208 831 K C 0.668 177.481 176.600 0.354 0.000 1.117 831 K CA 0.664 57.117 56.287 0.277 0.000 1.039 831 K CB 1.027 33.639 32.500 0.186 0.000 0.937 831 K HN 0.539 nan 8.250 nan 0.000 0.570 832 S N -0.380 115.517 115.700 0.329 0.000 2.704 832 S HA 0.721 5.197 4.470 0.009 0.000 0.296 832 S C -0.370 174.398 174.600 0.279 0.000 1.138 832 S CA -1.093 57.306 58.200 0.332 0.000 0.875 832 S CB 1.707 65.028 63.200 0.201 0.000 1.151 832 S HN 0.085 nan 8.310 nan 0.000 0.500 833 A N 0.572 123.556 122.820 0.273 0.000 2.498 833 A HA 0.443 4.769 4.320 0.009 0.000 0.239 833 A C -0.060 177.534 177.584 0.017 0.000 1.068 833 A CA 0.092 52.202 52.037 0.121 0.000 0.766 833 A CB -0.590 18.479 19.000 0.114 0.000 1.003 833 A HN 0.870 nan 8.150 nan 0.000 0.497 834 D N -0.080 120.299 120.400 -0.034 0.000 2.163 834 D HA 0.446 5.092 4.640 0.009 0.000 0.248 834 D C 0.936 177.163 176.300 -0.121 0.000 1.035 834 D CA -0.582 53.376 54.000 -0.070 0.000 0.872 834 D CB 0.888 41.715 40.800 0.045 0.000 1.183 834 D HN 0.521 nan 8.370 nan 0.000 0.445 835 R N 2.027 122.443 120.500 -0.141 0.000 2.437 835 R HA 0.308 4.654 4.340 0.009 0.000 0.257 835 R C 1.310 177.625 176.300 0.025 0.000 0.927 835 R CA -0.171 55.867 56.100 -0.103 0.000 1.078 835 R CB 0.295 30.454 30.300 -0.235 0.000 1.161 835 R HN 0.404 nan 8.270 nan 0.000 0.529 836 G N 0.938 109.731 108.800 -0.012 0.000 2.403 836 G HA2 0.116 4.081 3.960 0.009 0.000 0.216 836 G HA3 0.116 4.081 3.960 0.009 0.000 0.216 836 G C 1.053 175.930 174.900 -0.038 0.000 1.154 836 G CA 0.756 45.864 45.100 0.014 0.000 0.784 836 G HN 0.598 nan 8.290 nan 0.000 0.538 837 G N -2.154 106.579 108.800 -0.111 0.000 2.147 837 G HA2 -0.181 3.784 3.960 0.009 0.000 0.128 837 G HA3 -0.181 3.784 3.960 0.009 0.000 0.128 837 G C 0.137 174.698 174.900 -0.565 0.000 1.026 837 G CA -0.177 44.752 45.100 -0.283 0.000 0.693 837 G HN 0.508 nan 8.290 nan 0.000 0.499 838 C N 2.307 121.420 119.300 -0.311 0.000 2.612 838 C HA 0.249 4.715 4.460 0.009 0.000 0.403 838 C C 2.253 177.103 174.990 -0.233 0.000 1.056 838 C CA -0.504 58.341 59.018 -0.289 0.000 1.256 838 C CB -1.746 25.913 27.740 -0.136 0.000 1.741 838 C HN 0.467 nan 8.230 nan 0.000 0.542 839 I N 2.684 123.094 120.570 -0.267 0.000 2.423 839 I HA -0.132 4.044 4.170 0.009 0.000 0.254 839 I C 2.066 178.102 176.117 -0.135 0.000 1.151 839 I CA 1.450 62.659 61.300 -0.153 0.000 1.421 839 I CB -0.595 37.358 38.000 -0.078 0.000 1.079 839 I HN 0.615 nan 8.210 nan 0.000 0.431 840 N N 0.787 119.395 118.700 -0.154 0.000 2.609 840 N HA -0.022 4.723 4.740 0.009 0.000 0.190 840 N C 1.722 177.151 175.510 -0.135 0.000 1.157 840 N CA 0.423 53.391 53.050 -0.136 0.000 0.918 840 N CB 0.047 38.440 38.487 -0.157 0.000 0.978 840 N HN 0.430 nan 8.380 nan 0.000 0.448 841 I N 0.029 120.513 120.570 -0.144 0.000 2.546 841 I HA -0.152 4.023 4.170 0.009 0.000 0.255 841 I C 1.493 177.519 176.117 -0.152 0.000 1.163 841 I CA 0.778 61.990 61.300 -0.147 0.000 1.457 841 I CB 0.159 38.068 38.000 -0.152 0.000 1.092 841 I HN 0.080 nan 8.210 nan 0.000 0.434 842 L N -0.135 121.002 121.223 -0.144 0.000 2.529 842 L HA 0.076 4.421 4.340 0.009 0.000 0.223 842 L C 1.077 177.883 176.870 -0.107 0.000 1.113 842 L CA -0.041 54.710 54.840 -0.147 0.000 0.861 842 L CB -0.636 41.329 42.059 -0.157 0.000 1.012 842 L HN 0.242 nan 8.230 nan 0.000 0.461 843 T N -1.063 113.442 114.554 -0.081 0.000 2.907 843 T HA 0.245 4.600 4.350 0.009 0.000 0.298 843 T C -2.399 172.299 174.700 -0.003 0.000 1.017 843 T CA -1.779 60.297 62.100 -0.041 0.000 1.118 843 T CB 0.737 69.582 68.868 -0.039 0.000 0.948 843 T HN -0.100 nan 8.240 nan 0.000 0.531 844 P HA 0.144 nan 4.420 nan 0.000 0.267 844 P C -0.033 177.337 177.300 0.116 0.000 1.205 844 P CA -0.138 63.046 63.100 0.139 0.000 0.765 844 P CB 0.695 32.606 31.700 0.351 0.000 0.828 845 D N 2.421 122.841 120.400 0.032 0.000 2.339 845 D HA -0.019 4.626 4.640 0.009 0.000 0.217 845 D C 0.787 177.027 176.300 -0.100 0.000 1.050 845 D CA -0.003 53.974 54.000 -0.040 0.000 0.856 845 D CB -0.192 40.548 40.800 -0.100 0.000 0.922 845 D HN 0.327 nan 8.370 nan 0.000 0.518 846 R N 0.481 120.939 120.500 -0.070 0.000 2.537 846 R HA 0.046 4.391 4.340 0.009 0.000 0.280 846 R C -0.413 175.875 176.300 -0.020 0.000 1.058 846 R CA -0.372 55.590 56.100 -0.229 0.000 1.057 846 R CB 0.212 30.148 30.300 -0.608 0.000 0.973 846 R HN 0.031 nan 8.270 nan 0.000 0.438 847 Y N 3.640 123.887 120.300 -0.089 0.000 2.578 847 Y HA -0.132 4.424 4.550 0.009 0.000 0.339 847 Y C 1.984 177.946 175.900 0.103 0.000 1.231 847 Y CA -0.484 57.602 58.100 -0.024 0.000 1.461 847 Y CB 0.575 38.980 38.460 -0.091 0.000 1.323 847 Y HN 0.601 nan 8.280 nan 0.000 0.590 848 I N 0.942 121.714 120.570 0.336 0.000 2.145 848 I HA -0.315 3.861 4.170 0.009 0.000 0.244 848 I C 1.137 177.497 176.117 0.404 0.000 1.075 848 I CA 1.817 63.358 61.300 0.402 0.000 1.332 848 I CB -0.353 37.750 38.000 0.171 0.000 1.033 848 I HN 0.582 nan 8.210 nan 0.000 0.410 849 S N -1.427 114.367 115.700 0.157 0.000 2.794 849 S HA 0.279 4.754 4.470 0.009 0.000 0.299 849 S C 0.543 175.144 174.600 0.001 0.000 1.179 849 S CA -0.834 57.448 58.200 0.135 0.000 0.838 849 S CB 1.963 65.287 63.200 0.208 0.000 1.206 849 S HN 0.068 nan 8.310 nan 0.000 0.523 850 K N -0.595 119.785 120.400 -0.034 0.000 2.057 850 K HA -0.058 4.267 4.320 0.009 0.000 0.207 850 K C 0.979 177.343 176.600 -0.394 0.000 1.049 850 K CA 1.788 57.926 56.287 -0.248 0.000 0.931 850 K CB -0.356 31.921 32.500 -0.372 0.000 0.714 850 K HN 0.707 nan 8.250 nan 0.000 0.440 851 Y N -0.849 119.520 120.300 0.114 0.000 2.442 851 Y HA 0.353 4.908 4.550 0.009 0.000 0.250 851 Y C 0.417 176.245 175.900 -0.120 0.000 1.113 851 Y CA -0.191 57.974 58.100 0.107 0.000 1.273 851 Y CB 0.585 39.261 38.460 0.360 0.000 1.138 851 Y HN -0.023 nan 8.280 nan 0.000 0.522 852 A N 0.035 122.790 122.820 -0.109 0.000 2.671 852 A HA 0.276 4.602 4.320 0.009 0.000 0.306 852 A C -0.065 176.795 177.584 -1.206 0.000 1.473 852 A CA -0.356 51.359 52.037 -0.535 0.000 1.155 852 A CB -1.175 17.762 19.000 -0.105 0.000 1.123 852 A HN 0.482 nan 8.150 nan 0.000 0.545 853 C N 3.239 121.357 119.300 -1.970 0.000 3.305 853 C HA 0.469 4.934 4.460 0.009 0.000 0.566 853 C C 1.439 175.733 174.990 -1.161 0.000 1.178 853 C CA -0.172 57.691 59.018 -1.924 0.000 1.317 853 C CB -1.903 24.971 27.740 -1.444 0.000 1.634 853 C HN 0.871 nan 8.230 nan 0.000 0.643 854 G N 0.937 109.262 108.800 -0.791 0.000 2.644 854 G HA2 0.692 4.657 3.960 0.009 0.000 0.307 854 G HA3 0.692 4.657 3.960 0.009 0.000 0.307 854 G C -0.418 174.584 174.900 0.170 0.000 1.250 854 G CA -0.803 44.257 45.100 -0.067 0.000 0.996 854 G HN 0.521 nan 8.290 nan 0.000 0.489 855 M N 0.111 119.835 119.600 0.207 0.000 2.249 855 M HA 0.665 5.150 4.480 0.009 0.000 0.351 855 M C 0.112 176.506 176.300 0.157 0.000 1.180 855 M CA -0.562 54.844 55.300 0.177 0.000 1.127 855 M CB 1.920 34.589 32.600 0.114 0.000 1.546 855 M HN 0.428 nan 8.290 nan 0.000 0.461 856 A N 2.990 125.907 122.820 0.161 0.000 2.701 856 A HA 0.277 4.602 4.320 0.009 0.000 0.297 856 A C 0.527 178.118 177.584 0.011 0.000 1.197 856 A CA -0.640 51.444 52.037 0.078 0.000 0.963 856 A CB -0.769 18.275 19.000 0.073 0.000 1.175 856 A HN 1.022 nan 8.150 nan 0.000 0.531 857 N N 1.566 120.287 118.700 0.035 0.000 2.049 857 N HA -0.203 4.542 4.740 0.009 0.000 0.198 857 N C 0.979 176.481 175.510 -0.014 0.000 1.030 857 N CA 1.860 54.915 53.050 0.009 0.000 0.870 857 N CB -0.281 38.213 38.487 0.011 0.000 1.045 857 N HN 0.482 nan 8.380 nan 0.000 0.434 858 N N 0.099 118.797 118.700 -0.004 0.000 2.627 858 N HA -0.041 4.705 4.740 0.009 0.000 0.196 858 N C -0.359 175.134 175.510 -0.027 0.000 1.268 858 N CA 0.676 53.722 53.050 -0.005 0.000 0.904 858 N CB -0.295 38.203 38.487 0.019 0.000 1.016 858 N HN 0.414 nan 8.380 nan 0.000 0.448 859 T N -1.848 112.662 114.554 -0.074 0.000 2.991 859 T HA 0.729 5.084 4.350 0.009 0.000 0.347 859 T C -0.488 174.149 174.700 -0.105 0.000 1.122 859 T CA -0.936 61.090 62.100 -0.122 0.000 1.062 859 T CB 1.497 70.224 68.868 -0.235 0.000 1.043 859 T HN 0.080 nan 8.240 nan 0.000 0.491 860 A N 4.272 127.052 122.820 -0.066 0.000 2.375 860 A HA 0.732 5.058 4.320 0.009 0.000 0.295 860 A C -0.556 177.002 177.584 -0.043 0.000 1.066 860 A CA -0.878 51.131 52.037 -0.047 0.000 0.722 860 A CB 1.099 20.065 19.000 -0.057 0.000 1.206 860 A HN 0.864 nan 8.150 nan 0.000 0.435 861 L N 3.070 124.283 121.223 -0.017 0.000 2.292 861 L HA 0.699 5.044 4.340 0.009 0.000 0.284 861 L C 0.114 176.943 176.870 -0.069 0.000 1.065 861 L CA -0.569 54.277 54.840 0.009 0.000 0.806 861 L CB 1.398 43.517 42.059 0.101 0.000 1.175 861 L HN 0.708 nan 8.230 nan 0.000 0.431 862 V N 0.035 119.904 119.914 -0.075 0.000 3.202 862 V HA 0.767 4.892 4.120 0.009 0.000 0.306 862 V C -1.350 174.662 176.094 -0.137 0.000 1.283 862 V CA -0.734 61.428 62.300 -0.231 0.000 1.065 862 V CB 2.268 33.953 31.823 -0.230 0.000 1.079 862 V HN 0.693 nan 8.190 nan 0.000 0.448 863 E N 0.776 120.771 120.200 -0.342 0.000 2.317 863 E HA 0.804 5.159 4.350 0.009 0.000 0.270 863 E C -1.079 175.324 176.600 -0.328 0.000 0.885 863 E CA -0.482 55.741 56.400 -0.295 0.000 0.760 863 E CB 1.930 31.431 29.700 -0.331 0.000 1.227 863 E HN 1.140 nan 8.360 nan 0.000 0.434 864 I N -0.459 120.073 120.570 -0.064 0.000 2.934 864 I HA 0.807 4.983 4.170 0.009 0.000 0.306 864 I C -1.092 175.115 176.117 0.151 0.000 1.110 864 I CA -0.876 60.462 61.300 0.063 0.000 1.019 864 I CB 2.318 40.335 38.000 0.029 0.000 1.227 864 I HN 0.647 nan 8.210 nan 0.000 0.434 865 E N 2.457 122.768 120.200 0.185 0.000 2.407 865 E HA 0.401 4.756 4.350 0.009 0.000 0.279 865 E C -1.714 174.980 176.600 0.157 0.000 1.012 865 E CA -1.248 55.254 56.400 0.170 0.000 0.800 865 E CB 1.601 31.429 29.700 0.213 0.000 1.276 865 E HN 0.542 nan 8.360 nan 0.000 0.452 866 K N 0.965 121.444 120.400 0.132 0.000 2.448 866 K HA 0.007 4.332 4.320 0.009 0.000 0.278 866 K C -0.706 176.022 176.600 0.214 0.000 1.009 866 K CA -0.147 56.222 56.287 0.138 0.000 0.995 866 K CB 0.423 32.977 32.500 0.089 0.000 0.917 866 K HN 0.458 nan 8.250 nan 0.000 0.481 867 W N 4.986 126.297 121.300 0.020 0.000 2.303 867 W HA 0.002 4.667 4.660 0.009 0.000 0.318 867 W C 0.474 177.027 176.519 0.057 0.000 1.362 867 W CA -0.641 56.729 57.345 0.040 0.000 1.234 867 W CB 0.324 29.794 29.460 0.016 0.000 1.248 867 W HN 0.669 nan 8.180 nan 0.000 0.546 868 D N 2.746 123.074 120.400 -0.120 0.000 2.349 868 D HA 0.106 4.751 4.640 0.009 0.000 0.224 868 D C 1.660 177.560 176.300 -0.667 0.000 1.029 868 D CA 0.685 54.516 54.000 -0.281 0.000 0.879 868 D CB -0.205 40.555 40.800 -0.067 0.000 0.906 868 D HN 0.738 nan 8.370 nan 0.000 0.528 869 G N 0.021 107.833 108.800 -1.647 0.000 2.194 869 G HA2 -0.271 3.694 3.960 0.009 0.000 0.236 869 G HA3 -0.271 3.694 3.960 0.009 0.000 0.236 869 G C -0.045 174.541 174.900 -0.523 0.000 0.987 869 G CA 0.086 44.187 45.100 -1.665 0.000 0.635 869 G HN 0.583 nan 8.290 nan 0.000 0.520 870 D N 0.583 120.915 120.400 -0.114 0.000 2.357 870 D HA 0.446 5.091 4.640 0.009 0.000 0.242 870 D C 1.795 178.355 176.300 0.434 0.000 1.153 870 D CA 0.251 54.262 54.000 0.018 0.000 0.918 870 D CB 0.578 41.122 40.800 -0.426 0.000 1.181 870 D HN 0.433 nan 8.370 nan 0.000 0.435 871 K N 1.111 121.637 120.400 0.210 0.000 2.379 871 K HA -0.010 4.315 4.320 0.009 0.000 0.194 871 K C -0.101 176.709 176.600 0.351 0.000 1.031 871 K CA -0.150 56.320 56.287 0.305 0.000 1.037 871 K CB -0.130 32.469 32.500 0.164 0.000 0.824 871 K HN 0.446 nan 8.250 nan 0.000 0.516 872 Y N 2.062 122.445 120.300 0.137 0.000 2.988 872 Y HA -0.218 4.338 4.550 0.009 0.000 0.193 872 Y C -0.358 175.575 175.900 0.056 0.000 1.388 872 Y CA 0.705 58.855 58.100 0.083 0.000 0.904 872 Y CB -2.053 36.496 38.460 0.149 0.000 1.297 872 Y HN 0.430 nan 8.280 nan 0.000 0.432 873 E N 2.448 122.692 120.200 0.074 0.000 1.852 873 E HA 0.333 4.688 4.350 0.009 0.000 0.276 873 E C 0.882 177.454 176.600 -0.046 0.000 1.163 873 E CA 0.190 56.629 56.400 0.064 0.000 1.117 873 E CB -0.328 29.401 29.700 0.048 0.000 1.124 873 E HN 0.629 nan 8.360 nan 0.000 0.458 874 I N -0.485 119.960 120.570 -0.208 0.000 4.160 874 I HA 0.277 4.452 4.170 0.009 0.000 0.325 874 I C -0.836 174.978 176.117 -0.505 0.000 1.455 874 I CA -0.712 60.366 61.300 -0.369 0.000 1.142 874 I CB 0.072 37.813 38.000 -0.432 0.000 1.262 874 I HN 0.091 nan 8.210 nan 0.000 0.483 875 Y N 0.000 120.352 120.300 0.086 0.000 2.660 875 Y HA 0.000 4.555 4.550 0.009 0.000 0.201 875 Y CA 0.000 58.144 58.100 0.073 0.000 1.940 875 Y CB 0.000 38.505 38.460 0.074 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758