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 2cqt_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRYGHFDDAA REYVITTPHT PYPWINYLGS EQFFSLLSHQ AGGYSFYRDA DATA SEQUENCE KMRRLTRYRY NNIPADAGGR YLYVNDGGDV WTPSWLPVKA DLDHFEARHG DATA SEQUENCE LGYSRITGER NGLKVETLFF VPLGENAEVQ KVTVTNTSDA PKTATLFSFV DATA SEQUENCE EFCLWNAQDD QTNYQRNLSI GEVEVEQDGP HGSAIYHKTE YRERRDHYAV DATA SEQUENCE FGVNTRADGF DTDRDTFVGA YNSLGEASVP RAGKSADSVA SGWYPIGSHS DATA SEQUENCE VAVTLQPGES RDLVYVLGYL ENPDEEKWAD DAHQVVNKAP AHALLGRFAT DATA SEQUENCE SEQVDAALEA LNSYWTNLLS TYSVSSTDEK LDRMVNIWNQ YQCMVTFNMS DATA SEQUENCE RSASFFETGI GRGMGFRDSN QDLLGFVHLI PERARERIID IASTQFADGS DATA SEQUENCE AYHQYQPLTK RGNNDIGSGF NDDPLWLIAG VAAYIKESGD WGILDEPVPF DATA SEQUENCE DNEPGSEVPL FEHLTRSFQF TVQNRGPHGL PLIGRADWND CLNLNCFSTT DATA SEQUENCE PGESFQTTEN QAGGVAESVF IAAQFVLYGA EYATLAERRG LADVATEARK DATA SEQUENCE YVDEVRAAVL EHGWDGQWFL RAYDYYGNPV GTDAKPEGKI WIEPQGFAVM DATA SEQUENCE AGIGVGEGPD DADAPAVKAL DSVNEMLGTP HGLVLQYPAY TTYQIELGEV DATA SEQUENCE STYPPGYKEN GGIFCHNNPW VIIAETVVGR GAQAFDYYKR ITPAYREDIS DATA SEQUENCE DTHKLEPYVY AQMIAGKEAV RAGEAKNSWL TGTAAWNFVA VSQYLLGVRP DATA SEQUENCE DYDGLVVDPQ IGPDVPSYTV TRVARGATYE ITVTNSGAPG ARASLTVDGA DATA SEQUENCE PVDGRTVPYA PAGSTVRVEV TV 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 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.523 32.600 -0.128 0.000 1.302 2 R N -0.845 119.574 120.500 -0.135 0.000 2.837 2 R HA 0.634 4.974 4.340 0.000 0.000 0.271 2 R C -1.487 174.659 176.300 -0.256 0.000 0.993 2 R CA -0.536 55.553 56.100 -0.018 0.000 0.931 2 R CB 1.913 32.265 30.300 0.086 0.000 1.206 2 R HN 0.765 nan 8.270 nan 0.000 0.474 3 Y N -0.767 119.685 120.300 0.253 0.000 2.641 3 Y HA 0.467 5.017 4.550 0.000 0.000 0.248 3 Y C 0.750 176.769 175.900 0.198 0.000 1.170 3 Y CA -0.068 58.138 58.100 0.178 0.000 1.201 3 Y CB 1.981 40.481 38.460 0.067 0.000 1.232 3 Y HN 0.804 nan 8.280 nan 0.000 0.537 4 G N -0.398 108.571 108.800 0.283 0.000 2.348 4 G HA2 0.457 4.418 3.960 0.000 0.000 0.296 4 G HA3 0.457 4.418 3.960 0.000 0.000 0.296 4 G C -1.980 172.830 174.900 -0.150 0.000 1.258 4 G CA -0.616 44.474 45.100 -0.018 0.000 0.868 4 G HN 0.271 nan 8.290 nan 0.000 0.488 5 H N -2.253 116.395 119.070 -0.703 0.000 3.037 5 H HA 0.677 5.233 4.556 0.000 0.000 0.336 5 H C -1.702 173.147 175.328 -0.797 0.000 1.323 5 H CA -1.190 54.544 56.048 -0.524 0.000 1.159 5 H CB 0.526 30.182 29.762 -0.178 0.000 1.882 5 H HN 0.448 nan 8.280 nan 0.000 0.535 6 F N 0.829 120.724 119.950 -0.092 0.000 2.429 6 F HA 0.252 4.779 4.527 0.000 0.000 0.348 6 F C 0.611 176.480 175.800 0.115 0.000 1.109 6 F CA 0.250 58.260 58.000 0.016 0.000 1.232 6 F CB 0.888 39.970 39.000 0.136 0.000 1.157 6 F HN 0.630 nan 8.300 nan 0.000 0.564 7 D N 2.884 123.469 120.400 0.309 0.000 2.438 7 D HA 0.123 4.763 4.640 0.000 0.000 0.257 7 D C 0.188 176.640 176.300 0.252 0.000 1.148 7 D CA -0.244 53.900 54.000 0.238 0.000 0.902 7 D CB 0.508 41.400 40.800 0.152 0.000 1.062 7 D HN 0.458 nan 8.370 nan 0.000 0.518 8 D N 2.192 122.731 120.400 0.231 0.000 2.117 8 D HA -0.143 4.497 4.640 0.000 0.000 0.197 8 D C 1.895 178.267 176.300 0.119 0.000 0.987 8 D CA 1.069 55.181 54.000 0.186 0.000 0.829 8 D CB 0.038 40.919 40.800 0.134 0.000 0.961 8 D HN 0.529 nan 8.370 nan 0.000 0.460 9 A N 0.916 123.795 122.820 0.099 0.000 1.940 9 A HA -0.037 4.283 4.320 0.000 0.000 0.219 9 A C 2.194 179.820 177.584 0.070 0.000 1.176 9 A CA 2.108 54.187 52.037 0.071 0.000 0.631 9 A CB -0.441 18.595 19.000 0.060 0.000 0.814 9 A HN 0.254 nan 8.150 nan 0.000 0.446 10 A N -1.757 121.117 122.820 0.090 0.000 2.238 10 A HA 0.325 4.645 4.320 0.000 0.000 0.210 10 A C 1.010 178.646 177.584 0.087 0.000 1.179 10 A CA 0.354 52.447 52.037 0.092 0.000 0.827 10 A CB -0.194 18.868 19.000 0.103 0.000 0.856 10 A HN 0.471 nan 8.150 nan 0.000 0.488 11 R N -0.076 120.472 120.500 0.080 0.000 3.267 11 R HA -0.160 4.180 4.340 0.000 0.000 0.254 11 R C -1.160 175.165 176.300 0.041 0.000 0.993 11 R CA 1.242 57.335 56.100 -0.011 0.000 0.670 11 R CB -2.165 28.024 30.300 -0.184 0.000 1.125 11 R HN 0.789 nan 8.270 nan 0.000 0.434 12 E N -0.326 120.051 120.200 0.295 0.000 2.429 12 E HA 0.378 4.728 4.350 0.000 0.000 0.276 12 E C -1.468 175.335 176.600 0.339 0.000 0.953 12 E CA -1.034 55.555 56.400 0.315 0.000 0.787 12 E CB 1.546 31.308 29.700 0.103 0.000 1.307 12 E HN 0.151 nan 8.360 nan 0.000 0.458 13 Y N 0.929 121.200 120.300 -0.048 0.000 2.335 13 Y HA 0.375 4.925 4.550 0.000 0.000 0.338 13 Y C -1.105 174.600 175.900 -0.325 0.000 0.977 13 Y CA -0.778 57.074 58.100 -0.415 0.000 1.114 13 Y CB 1.208 39.117 38.460 -0.919 0.000 1.182 13 Y HN 0.259 nan 8.280 nan 0.000 0.463 14 V N 8.342 127.674 119.914 -0.970 0.000 2.348 14 V HA 0.280 4.400 4.120 0.000 0.000 0.270 14 V C 0.019 175.724 176.094 -0.648 0.000 1.037 14 V CA -0.586 61.277 62.300 -0.728 0.000 0.872 14 V CB 0.496 31.790 31.823 -0.881 0.000 1.002 14 V HN 0.618 nan 8.190 nan 0.000 0.464 15 I N 4.936 125.365 120.570 -0.234 0.000 2.301 15 I HA 0.190 4.361 4.170 0.000 0.000 0.292 15 I C 1.393 177.527 176.117 0.029 0.000 1.046 15 I CA -0.091 61.223 61.300 0.023 0.000 1.282 15 I CB 1.563 39.676 38.000 0.189 0.000 1.409 15 I HN 0.723 nan 8.210 nan 0.000 0.484 16 T N 0.053 114.640 114.554 0.055 0.000 3.219 16 T HA 0.074 4.424 4.350 0.000 0.000 0.249 16 T C 0.510 175.330 174.700 0.200 0.000 1.099 16 T CA -0.202 61.957 62.100 0.098 0.000 0.988 16 T CB -0.108 68.808 68.868 0.080 0.000 0.999 16 T HN 0.615 nan 8.240 nan 0.000 0.550 17 T N 1.321 116.025 114.554 0.249 0.000 2.942 17 T HA 0.432 4.782 4.350 0.000 0.000 0.327 17 T C -2.606 172.026 174.700 -0.114 0.000 1.360 17 T CA -1.353 60.800 62.100 0.088 0.000 1.055 17 T CB 2.244 71.129 68.868 0.028 0.000 1.261 17 T HN -0.245 nan 8.240 nan 0.000 0.485 18 P HA 0.096 nan 4.420 nan 0.000 0.236 18 P C 0.216 177.194 177.300 -0.537 0.000 1.177 18 P CA 0.419 63.002 63.100 -0.862 0.000 0.773 18 P CB -0.019 30.745 31.700 -1.561 0.000 0.878 19 H N 1.282 120.134 119.070 -0.363 0.000 2.768 19 H HA 0.166 4.722 4.556 0.000 0.000 0.219 19 H C 0.805 175.983 175.328 -0.250 0.000 1.898 19 H CA 0.184 56.074 56.048 -0.264 0.000 1.313 19 H CB -1.048 28.573 29.762 -0.235 0.000 1.701 19 H HN 0.149 nan 8.280 nan 0.000 0.534 20 T N -1.923 112.406 114.554 -0.375 0.000 2.849 20 T HA 0.151 4.501 4.350 0.000 0.000 0.284 20 T C -1.380 172.894 174.700 -0.711 0.000 1.004 20 T CA -1.819 59.704 62.100 -0.961 0.000 1.021 20 T CB 1.610 69.494 68.868 -1.641 0.000 1.013 20 T HN 0.006 nan 8.240 nan 0.000 0.527 21 P HA 0.097 nan 4.420 nan 0.000 0.220 21 P C -0.650 176.662 177.300 0.020 0.000 1.148 21 P CA 0.962 63.900 63.100 -0.270 0.000 0.803 21 P CB -0.034 31.577 31.700 -0.147 0.000 0.782 22 Y N -2.950 117.211 120.300 -0.232 0.000 2.624 22 Y HA 0.390 4.941 4.550 0.000 0.000 0.334 22 Y C -2.850 173.024 175.900 -0.043 0.000 1.155 22 Y CA -2.798 55.304 58.100 0.003 0.000 1.046 22 Y CB 1.196 39.787 38.460 0.218 0.000 1.316 22 Y HN -0.340 nan 8.280 nan 0.000 0.457 23 P HA 0.005 nan 4.420 nan 0.000 0.267 23 P C -1.320 176.239 177.300 0.432 0.000 1.209 23 P CA 0.635 63.836 63.100 0.168 0.000 0.763 23 P CB 0.173 31.993 31.700 0.200 0.000 0.816 24 W N 5.637 127.066 121.300 0.216 0.000 2.376 24 W HA 0.437 5.098 4.660 0.000 0.000 0.312 24 W C 0.409 177.088 176.519 0.267 0.000 1.060 24 W CA -0.735 56.730 57.345 0.200 0.000 1.221 24 W CB 0.132 29.682 29.460 0.151 0.000 1.281 24 W HN 0.245 nan 8.180 nan 0.000 0.456 25 I N 0.962 121.687 120.570 0.259 0.000 3.100 25 I HA 0.697 4.867 4.170 0.000 0.000 0.312 25 I C -0.543 175.458 176.117 -0.193 0.000 1.063 25 I CA -0.902 60.301 61.300 -0.160 0.000 1.031 25 I CB 2.199 39.752 38.000 -0.745 0.000 1.243 25 I HN 0.221 nan 8.210 nan 0.000 0.483 26 N N 0.670 119.035 118.700 -0.558 0.000 2.321 26 N HA 0.485 5.226 4.740 0.000 0.000 0.290 26 N C -2.093 173.094 175.510 -0.539 0.000 1.212 26 N CA -0.585 52.245 53.050 -0.367 0.000 0.767 26 N CB 1.690 39.929 38.487 -0.413 0.000 1.494 26 N HN 0.624 nan 8.380 nan 0.000 0.479 27 Y N 0.900 120.959 120.300 -0.402 0.000 2.335 27 Y HA 0.480 5.031 4.550 0.000 0.000 0.338 27 Y C -0.181 175.711 175.900 -0.015 0.000 0.977 27 Y CA -0.686 57.219 58.100 -0.325 0.000 1.114 27 Y CB 1.264 39.437 38.460 -0.477 0.000 1.182 27 Y HN 0.229 nan 8.280 nan 0.000 0.463 28 L N 3.400 124.701 121.223 0.130 0.000 2.322 28 L HA 0.850 5.190 4.340 0.000 0.000 0.279 28 L C 0.425 177.427 176.870 0.220 0.000 1.036 28 L CA -0.848 54.124 54.840 0.220 0.000 0.807 28 L CB 1.369 43.535 42.059 0.178 0.000 1.226 28 L HN 0.869 nan 8.230 nan 0.000 0.433 29 G N 1.556 110.502 108.800 0.243 0.000 2.712 29 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 29 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 29 G C -0.107 174.913 174.900 0.199 0.000 1.181 29 G CA -0.169 44.965 45.100 0.056 0.000 0.762 29 G HN 0.937 nan 8.290 nan 0.000 0.641 30 S N -0.762 114.995 115.700 0.096 0.000 2.904 30 S HA 0.391 4.861 4.470 0.000 0.000 0.260 30 S C 0.624 175.371 174.600 0.246 0.000 1.000 30 S CA 0.790 59.208 58.200 0.364 0.000 1.274 30 S CB 0.555 64.025 63.200 0.450 0.000 1.196 30 S HN 0.754 nan 8.310 nan 0.000 0.678 31 E N 1.387 121.544 120.200 -0.072 0.000 2.645 31 E HA 0.299 4.649 4.350 0.000 0.000 0.198 31 E C 1.078 177.658 176.600 -0.033 0.000 1.091 31 E CA -0.038 56.363 56.400 0.002 0.000 1.096 31 E CB 0.168 29.844 29.700 -0.040 0.000 2.013 31 E HN 0.309 nan 8.360 nan 0.000 0.537 32 Q N -0.835 118.827 119.800 -0.231 0.000 2.179 32 Q HA 0.228 4.568 4.340 0.000 0.000 0.244 32 Q C -0.723 175.086 176.000 -0.318 0.000 0.808 32 Q CA -0.215 55.492 55.803 -0.160 0.000 0.955 32 Q CB 1.327 30.016 28.738 -0.082 0.000 1.141 32 Q HN 0.070 nan 8.270 nan 0.000 0.485 33 F N 0.869 120.406 119.950 -0.689 0.000 2.444 33 F HA 0.523 5.051 4.527 0.000 0.000 0.342 33 F C -1.203 173.988 175.800 -1.015 0.000 1.121 33 F CA -0.922 56.754 58.000 -0.541 0.000 0.997 33 F CB 0.831 39.703 39.000 -0.213 0.000 1.130 33 F HN -0.227 nan 8.300 nan 0.000 0.454 34 F N 2.364 121.748 119.950 -0.943 0.000 2.577 34 F HA 0.673 5.200 4.527 0.000 0.000 0.318 34 F C -0.377 174.894 175.800 -0.880 0.000 1.065 34 F CA -0.849 56.676 58.000 -0.792 0.000 0.929 34 F CB 2.378 40.842 39.000 -0.893 0.000 1.237 34 F HN 0.222 nan 8.300 nan 0.000 0.468 35 S N 1.982 117.514 115.700 -0.280 0.000 2.571 35 S HA 0.656 5.126 4.470 0.000 0.000 0.284 35 S C -1.454 172.921 174.600 -0.375 0.000 1.128 35 S CA -0.542 57.478 58.200 -0.300 0.000 0.970 35 S CB 1.663 64.792 63.200 -0.118 0.000 1.039 35 S HN 0.325 nan 8.310 nan 0.000 0.485 36 L N 3.079 123.976 121.223 -0.545 0.000 2.264 36 L HA 0.610 4.951 4.340 0.000 0.000 0.289 36 L C -0.784 175.763 176.870 -0.538 0.000 1.044 36 L CA -0.199 54.195 54.840 -0.743 0.000 0.807 36 L CB 0.965 42.548 42.059 -0.793 0.000 1.192 36 L HN 0.570 nan 8.230 nan 0.000 0.425 37 L N 3.579 124.488 121.223 -0.524 0.000 2.404 37 L HA 0.611 4.951 4.340 0.000 0.000 0.272 37 L C 0.210 176.917 176.870 -0.271 0.000 0.980 37 L CA -0.005 54.617 54.840 -0.364 0.000 0.836 37 L CB 1.720 43.592 42.059 -0.311 0.000 1.238 37 L HN 0.686 nan 8.230 nan 0.000 0.408 38 S N 2.426 118.031 115.700 -0.158 0.000 2.645 38 S HA 0.236 4.706 4.470 0.000 0.000 0.266 38 S C 1.160 175.914 174.600 0.257 0.000 1.258 38 S CA 0.135 58.369 58.200 0.057 0.000 0.990 38 S CB 0.509 63.787 63.200 0.131 0.000 0.967 38 S HN 0.819 nan 8.310 nan 0.000 0.556 39 H N 0.112 119.363 119.070 0.301 0.000 2.563 39 H HA 0.140 4.696 4.556 0.000 0.000 0.272 39 H C 0.070 175.560 175.328 0.269 0.000 1.005 39 H CA 0.350 56.548 56.048 0.250 0.000 1.171 39 H CB -0.251 29.657 29.762 0.244 0.000 1.351 39 H HN 0.612 nan 8.280 nan 0.000 0.602 40 Q N 0.106 119.806 119.800 -0.167 0.000 2.115 40 Q HA 0.406 4.747 4.340 0.000 0.000 0.249 40 Q C 0.737 176.795 176.000 0.096 0.000 0.830 40 Q CA 0.199 55.954 55.803 -0.080 0.000 1.104 40 Q CB 0.990 29.608 28.738 -0.200 0.000 1.207 40 Q HN 0.596 nan 8.270 nan 0.000 0.464 41 A N -0.283 122.547 122.820 0.016 0.000 2.945 41 A HA -0.171 4.149 4.320 0.000 0.000 0.263 41 A C 0.876 178.382 177.584 -0.129 0.000 1.293 41 A CA 0.979 52.944 52.037 -0.121 0.000 0.944 41 A CB -1.974 17.075 19.000 0.080 0.000 1.093 41 A HN 0.461 nan 8.150 nan 0.000 0.786 42 G N -2.242 106.552 108.800 -0.009 0.000 2.537 42 G HA2 0.764 4.724 3.960 0.000 0.000 0.273 42 G HA3 0.764 4.724 3.960 0.000 0.000 0.273 42 G C 0.857 175.758 174.900 0.001 0.000 1.189 42 G CA 0.907 46.048 45.100 0.069 0.000 0.881 42 G HN 2.424 nan 8.290 nan 0.000 0.535 43 G N -0.694 108.050 108.800 -0.093 0.000 2.280 43 G HA2 0.488 4.448 3.960 0.000 0.000 0.277 43 G HA3 0.488 4.448 3.960 0.000 0.000 0.277 43 G C -0.823 174.036 174.900 -0.069 0.000 1.288 43 G CA 0.101 44.987 45.100 -0.355 0.000 1.075 43 G HN 2.062 nan 8.290 nan 0.000 0.480 44 Y N -2.681 117.476 120.300 -0.240 0.000 2.750 44 Y HA 0.833 5.384 4.550 0.000 0.000 0.335 44 Y C -0.329 175.540 175.900 -0.051 0.000 1.252 44 Y CA -0.685 57.354 58.100 -0.103 0.000 1.064 44 Y CB 0.847 39.295 38.460 -0.021 0.000 1.321 44 Y HN 0.984 nan 8.280 nan 0.000 0.451 45 S N 1.217 116.991 115.700 0.124 0.000 2.568 45 S HA 0.842 5.312 4.470 0.000 0.000 0.293 45 S C -1.497 173.143 174.600 0.066 0.000 1.089 45 S CA -0.748 57.390 58.200 -0.104 0.000 0.945 45 S CB 1.608 64.746 63.200 -0.104 0.000 1.077 45 S HN 0.803 nan 8.310 nan 0.000 0.485 46 F N -0.390 119.365 119.950 -0.325 0.000 2.668 46 F HA 0.675 5.202 4.527 0.000 0.000 0.309 46 F C -1.678 173.938 175.800 -0.307 0.000 1.117 46 F CA -1.421 56.491 58.000 -0.146 0.000 0.951 46 F CB 0.899 39.934 39.000 0.059 0.000 1.323 46 F HN 0.535 nan 8.300 nan 0.000 0.451 47 Y N 3.871 124.130 120.300 -0.070 0.000 2.417 47 Y HA 0.550 5.100 4.550 0.000 0.000 0.336 47 Y C 1.004 176.925 175.900 0.036 0.000 0.961 47 Y CA -0.764 57.216 58.100 -0.200 0.000 1.215 47 Y CB 0.770 38.818 38.460 -0.687 0.000 1.120 47 Y HN 0.850 nan 8.280 nan 0.000 0.499 48 R N 1.113 121.451 120.500 -0.270 0.000 3.154 48 R HA -0.284 4.057 4.340 0.000 0.000 0.235 48 R C -0.605 175.760 176.300 0.108 0.000 0.808 48 R CA 2.087 58.095 56.100 -0.154 0.000 1.801 48 R CB -1.132 28.848 30.300 -0.534 0.000 1.411 48 R HN 0.660 nan 8.270 nan 0.000 0.589 49 D N -0.927 119.557 120.400 0.141 0.000 2.542 49 D HA 0.444 5.085 4.640 0.000 0.000 0.252 49 D C 0.390 176.636 176.300 -0.090 0.000 1.222 49 D CA 0.607 54.619 54.000 0.021 0.000 0.895 49 D CB 1.608 42.407 40.800 -0.002 0.000 1.207 49 D HN 0.246 nan 8.370 nan 0.000 0.558 50 A N 4.232 126.678 122.820 -0.623 0.000 2.125 50 A HA -0.138 4.182 4.320 0.000 0.000 0.219 50 A C 1.872 179.309 177.584 -0.244 0.000 1.156 50 A CA 1.142 52.651 52.037 -0.880 0.000 0.671 50 A CB -0.040 18.230 19.000 -1.217 0.000 0.794 50 A HN 0.547 nan 8.150 nan 0.000 0.459 51 K N -1.571 118.741 120.400 -0.146 0.000 2.168 51 K HA 0.083 4.403 4.320 0.000 0.000 0.201 51 K C 1.356 177.979 176.600 0.039 0.000 1.049 51 K CA 0.725 56.983 56.287 -0.048 0.000 0.974 51 K CB -0.040 32.428 32.500 -0.053 0.000 0.792 51 K HN 0.319 nan 8.250 nan 0.000 0.463 52 M N 0.561 120.198 119.600 0.062 0.000 2.465 52 M HA 0.135 4.615 4.480 0.000 0.000 0.249 52 M C 0.208 176.651 176.300 0.238 0.000 1.130 52 M CA 0.570 55.947 55.300 0.129 0.000 1.067 52 M CB 0.517 33.167 32.600 0.084 0.000 1.394 52 M HN -0.046 nan 8.290 nan 0.000 0.483 53 R N 0.526 121.189 120.500 0.273 0.000 2.718 53 R HA 0.295 4.635 4.340 0.000 0.000 0.307 53 R C -0.455 176.165 176.300 0.533 0.000 1.244 53 R CA -0.126 56.254 56.100 0.466 0.000 1.348 53 R CB 0.584 31.055 30.300 0.284 0.000 1.304 53 R HN 0.207 nan 8.270 nan 0.000 0.663 54 R N 1.237 121.993 120.500 0.428 0.000 2.216 54 R HA 0.187 4.527 4.340 0.000 0.000 0.332 54 R C 0.597 177.010 176.300 0.188 0.000 1.056 54 R CA -0.267 56.033 56.100 0.332 0.000 0.901 54 R CB 0.611 31.023 30.300 0.187 0.000 1.039 54 R HN 0.046 nan 8.270 nan 0.000 0.456 55 L N 2.581 123.916 121.223 0.187 0.000 2.131 55 L HA -0.001 4.339 4.340 0.000 0.000 0.206 55 L C 0.996 177.878 176.870 0.021 0.000 1.087 55 L CA 1.345 56.186 54.840 0.002 0.000 0.767 55 L CB -0.224 41.987 42.059 0.252 0.000 0.917 55 L HN 0.709 nan 8.230 nan 0.000 0.441 56 T N -2.712 111.881 114.554 0.066 0.000 2.887 56 T HA 0.505 4.855 4.350 0.000 0.000 0.288 56 T C -0.218 174.465 174.700 -0.027 0.000 1.021 56 T CA -0.893 61.188 62.100 -0.032 0.000 1.000 56 T CB 2.245 71.063 68.868 -0.085 0.000 1.034 56 T HN 0.006 nan 8.240 nan 0.000 0.467 57 R N 1.134 121.575 120.500 -0.098 0.000 2.441 57 R HA 0.492 4.832 4.340 0.000 0.000 0.284 57 R C -1.603 174.665 176.300 -0.054 0.000 1.070 57 R CA -0.626 55.416 56.100 -0.097 0.000 1.047 57 R CB 0.519 30.764 30.300 -0.092 0.000 1.016 57 R HN 0.802 nan 8.270 nan 0.000 0.477 58 Y N 2.647 122.775 120.300 -0.287 0.000 2.441 58 Y HA 0.362 4.912 4.550 0.000 0.000 0.334 58 Y C -1.289 174.410 175.900 -0.335 0.000 1.061 58 Y CA -0.940 56.970 58.100 -0.316 0.000 1.032 58 Y CB 1.497 39.749 38.460 -0.348 0.000 1.266 58 Y HN 0.568 nan 8.280 nan 0.000 0.441 59 R N 5.302 125.203 120.500 -0.999 0.000 2.229 59 R HA 0.334 4.674 4.340 0.000 0.000 0.332 59 R C -1.448 174.283 176.300 -0.949 0.000 0.989 59 R CA -0.683 54.990 56.100 -0.712 0.000 0.842 59 R CB 1.016 31.053 30.300 -0.438 0.000 1.119 59 R HN 0.597 nan 8.270 nan 0.000 0.456 60 Y N 1.619 121.628 120.300 -0.486 0.000 2.301 60 Y HA -0.028 4.522 4.550 0.000 0.000 0.328 60 Y C 1.190 176.942 175.900 -0.247 0.000 1.242 60 Y CA -0.024 57.878 58.100 -0.330 0.000 1.323 60 Y CB 0.632 39.003 38.460 -0.148 0.000 1.266 60 Y HN 0.660 nan 8.280 nan 0.000 0.527 61 N N 1.868 120.546 118.700 -0.036 0.000 2.714 61 N HA -0.286 4.455 4.740 0.000 0.000 0.252 61 N C -1.159 174.295 175.510 -0.092 0.000 1.014 61 N CA 0.420 53.450 53.050 -0.034 0.000 0.735 61 N CB -1.119 37.376 38.487 0.013 0.000 0.924 61 N HN 0.766 nan 8.380 nan 0.000 0.540 62 N N -0.083 118.516 118.700 -0.169 0.000 2.476 62 N HA 0.594 5.334 4.740 0.000 0.000 0.275 62 N C -0.322 175.119 175.510 -0.116 0.000 1.190 62 N CA -0.416 52.533 53.050 -0.169 0.000 0.977 62 N CB 0.657 38.989 38.487 -0.258 0.000 1.200 62 N HN 0.272 nan 8.380 nan 0.000 0.515 63 I N 2.509 123.022 120.570 -0.095 0.000 2.420 63 I HA 0.336 4.507 4.170 0.000 0.000 0.282 63 I C -1.825 174.248 176.117 -0.073 0.000 1.019 63 I CA -1.590 59.669 61.300 -0.068 0.000 1.130 63 I CB 1.325 39.295 38.000 -0.050 0.000 1.262 63 I HN 0.500 nan 8.210 nan 0.000 0.454 64 P HA 0.388 nan 4.420 nan 0.000 0.279 64 P C -0.367 176.878 177.300 -0.091 0.000 1.276 64 P CA -0.476 62.587 63.100 -0.062 0.000 0.801 64 P CB 0.940 32.613 31.700 -0.044 0.000 1.127 65 A N 0.409 123.173 122.820 -0.093 0.000 2.498 65 A HA 0.138 4.459 4.320 0.000 0.000 0.239 65 A C 0.605 178.110 177.584 -0.131 0.000 1.068 65 A CA 0.700 52.648 52.037 -0.150 0.000 0.766 65 A CB -1.111 17.772 19.000 -0.195 0.000 1.003 65 A HN 0.775 nan 8.150 nan 0.000 0.497 66 D N -0.083 120.213 120.400 -0.174 0.000 2.699 66 D HA -0.147 4.493 4.640 0.000 0.000 0.239 66 D C 0.423 176.736 176.300 0.022 0.000 1.136 66 D CA 1.324 55.311 54.000 -0.022 0.000 0.668 66 D CB -1.056 39.822 40.800 0.130 0.000 1.060 66 D HN 1.002 nan 8.370 nan 0.000 0.429 67 A N 0.660 123.448 122.820 -0.054 0.000 2.988 67 A HA 0.645 4.966 4.320 0.000 0.000 0.288 67 A C 0.860 178.508 177.584 0.106 0.000 1.385 67 A CA 0.495 52.542 52.037 0.018 0.000 1.001 67 A CB 0.192 19.158 19.000 -0.057 0.000 1.071 67 A HN 0.668 nan 8.150 nan 0.000 0.608 68 G N -1.551 107.328 108.800 0.131 0.000 2.750 68 G HA2 0.639 4.599 3.960 0.000 0.000 0.298 68 G HA3 0.639 4.599 3.960 0.000 0.000 0.298 68 G C -0.363 174.455 174.900 -0.137 0.000 1.412 68 G CA 0.335 45.462 45.100 0.044 0.000 1.078 68 G HN 1.214 nan 8.290 nan 0.000 0.573 69 G N 0.545 108.981 108.800 -0.607 0.000 2.435 69 G HA2 0.486 4.446 3.960 0.000 0.000 0.228 69 G HA3 0.486 4.446 3.960 0.000 0.000 0.228 69 G C -1.491 173.006 174.900 -0.672 0.000 1.198 69 G CA -0.968 43.814 45.100 -0.531 0.000 0.948 69 G HN 0.670 nan 8.290 nan 0.000 0.487 70 R N 0.533 120.783 120.500 -0.416 0.000 2.248 70 R HA 0.573 4.913 4.340 0.000 0.000 0.337 70 R C -1.241 175.064 176.300 0.008 0.000 1.106 70 R CA -0.061 55.948 56.100 -0.152 0.000 0.959 70 R CB -0.201 30.171 30.300 0.120 0.000 1.075 70 R HN 0.358 nan 8.270 nan 0.000 0.480 71 Y N 1.887 122.271 120.300 0.140 0.000 2.457 71 Y HA 0.514 5.064 4.550 0.000 0.000 0.333 71 Y C -0.231 175.670 175.900 0.001 0.000 1.119 71 Y CA -1.760 56.343 58.100 0.004 0.000 1.143 71 Y CB 1.372 39.721 38.460 -0.185 0.000 1.230 71 Y HN 0.274 nan 8.280 nan 0.000 0.469 72 L N 3.496 124.753 121.223 0.056 0.000 2.427 72 L HA 0.462 4.803 4.340 0.000 0.000 0.264 72 L C -1.862 174.960 176.870 -0.081 0.000 0.989 72 L CA -0.829 54.030 54.840 0.032 0.000 0.865 72 L CB 0.051 42.094 42.059 -0.026 0.000 1.209 72 L HN 0.447 nan 8.230 nan 0.000 0.430 73 Y N 3.926 124.291 120.300 0.109 0.000 2.393 73 Y HA 0.418 4.968 4.550 0.000 0.000 0.338 73 Y C 0.332 176.237 175.900 0.009 0.000 1.029 73 Y CA -0.267 57.845 58.100 0.020 0.000 1.239 73 Y CB 1.005 39.518 38.460 0.087 0.000 1.170 73 Y HN 0.254 nan 8.280 nan 0.000 0.515 74 V N 4.645 124.452 119.914 -0.178 0.000 2.370 74 V HA 0.200 4.320 4.120 0.000 0.000 0.279 74 V C -0.176 175.894 176.094 -0.041 0.000 1.029 74 V CA -0.982 61.167 62.300 -0.251 0.000 0.870 74 V CB 1.241 32.546 31.823 -0.864 0.000 0.984 74 V HN 0.715 nan 8.190 nan 0.000 0.451 75 N N 3.713 122.512 118.700 0.165 0.000 2.476 75 N HA 0.198 4.939 4.740 0.000 0.000 0.257 75 N C -1.472 174.159 175.510 0.202 0.000 0.970 75 N CA -0.287 52.885 53.050 0.203 0.000 0.938 75 N CB 1.610 40.255 38.487 0.265 0.000 1.144 75 N HN 0.691 nan 8.380 nan 0.000 0.500 76 D N 2.512 123.054 120.400 0.238 0.000 2.461 76 D HA 0.361 5.001 4.640 0.000 0.000 0.240 76 D C 0.768 177.161 176.300 0.155 0.000 1.094 76 D CA -0.058 54.072 54.000 0.217 0.000 0.868 76 D CB 0.224 41.207 40.800 0.304 0.000 1.062 76 D HN 0.782 nan 8.370 nan 0.000 0.530 77 G N 2.725 111.595 108.800 0.117 0.000 2.283 77 G HA2 -0.108 3.852 3.960 0.000 0.000 0.280 77 G HA3 -0.108 3.852 3.960 0.000 0.000 0.280 77 G C 1.101 176.045 174.900 0.074 0.000 1.029 77 G CA 0.708 45.858 45.100 0.084 0.000 0.840 77 G HN 1.511 nan 8.290 nan 0.000 0.505 78 G N -1.016 107.833 108.800 0.082 0.000 2.284 78 G HA2 -0.186 3.774 3.960 0.000 0.000 0.230 78 G HA3 -0.186 3.774 3.960 0.000 0.000 0.230 78 G C 0.235 175.176 174.900 0.068 0.000 1.021 78 G CA 0.842 45.977 45.100 0.057 0.000 0.619 78 G HN 1.536 nan 8.290 nan 0.000 0.510 79 D N 0.860 121.325 120.400 0.108 0.000 2.348 79 D HA 0.479 5.119 4.640 0.000 0.000 0.253 79 D C 0.226 176.662 176.300 0.227 0.000 1.161 79 D CA -0.068 54.017 54.000 0.143 0.000 0.876 79 D CB 1.242 42.132 40.800 0.150 0.000 1.160 79 D HN 0.244 nan 8.370 nan 0.000 0.459 80 V N 6.287 126.315 119.914 0.190 0.000 2.448 80 V HA 0.606 4.726 4.120 0.000 0.000 0.295 80 V C -0.437 175.825 176.094 0.281 0.000 1.025 80 V CA -0.681 61.731 62.300 0.187 0.000 0.859 80 V CB 0.980 32.835 31.823 0.053 0.000 0.988 80 V HN 0.632 nan 8.190 nan 0.000 0.431 81 W N 3.023 124.357 121.300 0.056 0.000 3.075 81 W HA 0.756 5.416 4.660 0.000 0.000 0.334 81 W C -1.079 175.438 176.519 -0.004 0.000 1.243 81 W CA -0.987 56.364 57.345 0.009 0.000 1.170 81 W CB 1.266 30.744 29.460 0.029 0.000 1.452 81 W HN 0.564 nan 8.180 nan 0.000 0.572 82 T N -1.079 113.488 114.554 0.022 0.000 2.824 82 T HA 0.376 4.727 4.350 0.000 0.000 0.282 82 T C -1.585 173.195 174.700 0.132 0.000 0.993 82 T CA -1.785 60.197 62.100 -0.197 0.000 0.967 82 T CB 2.636 71.261 68.868 -0.405 0.000 0.960 82 T HN 0.269 nan 8.240 nan 0.000 0.441 83 P HA -0.096 nan 4.420 nan 0.000 0.222 83 P C 1.223 178.793 177.300 0.451 0.000 1.147 83 P CA 0.751 64.089 63.100 0.397 0.000 0.790 83 P CB -0.024 31.825 31.700 0.248 0.000 0.780 84 S N -4.108 111.776 115.700 0.307 0.000 2.701 84 S HA 0.037 4.507 4.470 0.000 0.000 0.220 84 S C 1.006 175.757 174.600 0.252 0.000 0.954 84 S CA -0.329 58.084 58.200 0.355 0.000 0.936 84 S CB -1.198 62.169 63.200 0.279 0.000 0.777 84 S HN 0.235 nan 8.310 nan 0.000 0.518 85 W N 0.684 121.986 121.300 0.003 0.000 1.577 85 W HA -0.366 4.294 4.660 0.000 0.000 0.285 85 W C -0.206 176.208 176.519 -0.174 0.000 1.832 85 W CA 1.174 58.442 57.345 -0.129 0.000 2.205 85 W CB -1.498 27.739 29.460 -0.371 0.000 0.979 85 W HN 0.368 nan 8.180 nan 0.000 0.446 86 L N 3.295 124.365 121.223 -0.256 0.000 2.482 86 L HA 0.052 4.392 4.340 0.000 0.000 0.273 86 L C -0.724 175.770 176.870 -0.627 0.000 1.228 86 L CA -0.423 54.140 54.840 -0.463 0.000 0.827 86 L CB -0.072 41.863 42.059 -0.206 0.000 1.099 86 L HN 0.026 nan 8.230 nan 0.000 0.494 87 P HA -0.006 nan 4.420 nan 0.000 0.245 87 P C 1.313 178.324 177.300 -0.482 0.000 1.203 87 P CA 0.390 63.155 63.100 -0.559 0.000 0.792 87 P CB 0.481 31.884 31.700 -0.495 0.000 0.997 88 V N 0.811 120.439 119.914 -0.476 0.000 2.453 88 V HA -0.096 4.024 4.120 0.000 0.000 0.247 88 V C 1.030 176.853 176.094 -0.451 0.000 1.048 88 V CA 1.137 63.233 62.300 -0.339 0.000 1.049 88 V CB -1.495 30.217 31.823 -0.185 0.000 0.672 88 V HN 0.181 nan 8.190 nan 0.000 0.457 89 K N -0.589 119.336 120.400 -0.791 0.000 3.125 89 K HA -0.175 4.145 4.320 0.000 0.000 0.268 89 K C 0.244 176.594 176.600 -0.416 0.000 1.078 89 K CA 0.267 55.798 56.287 -1.259 0.000 0.775 89 K CB -1.721 30.108 32.500 -1.118 0.000 1.253 89 K HN 0.597 nan 8.250 nan 0.000 0.486 90 A N 0.835 123.562 122.820 -0.154 0.000 2.304 90 A HA 0.296 4.616 4.320 0.000 0.000 0.271 90 A C 0.112 177.823 177.584 0.212 0.000 1.091 90 A CA -0.488 51.586 52.037 0.062 0.000 0.812 90 A CB 0.426 19.503 19.000 0.128 0.000 1.056 90 A HN 0.230 nan 8.150 nan 0.000 0.489 91 D N 0.961 121.442 120.400 0.135 0.000 2.383 91 D HA 0.384 5.024 4.640 0.000 0.000 0.252 91 D C -0.374 175.939 176.300 0.023 0.000 1.166 91 D CA 0.688 54.762 54.000 0.123 0.000 0.879 91 D CB 0.768 41.596 40.800 0.047 0.000 1.164 91 D HN 0.355 nan 8.370 nan 0.000 0.462 92 L N 2.113 123.361 121.223 0.042 0.000 2.325 92 L HA 0.248 4.588 4.340 0.000 0.000 0.278 92 L C 1.306 178.113 176.870 -0.106 0.000 1.023 92 L CA -0.861 53.958 54.840 -0.035 0.000 0.811 92 L CB 1.635 43.769 42.059 0.124 0.000 1.249 92 L HN 0.170 nan 8.230 nan 0.000 0.431 93 D N -0.092 120.184 120.400 -0.207 0.000 2.183 93 D HA -0.033 4.607 4.640 0.000 0.000 0.203 93 D C 0.311 176.241 176.300 -0.616 0.000 0.969 93 D CA 1.493 55.261 54.000 -0.386 0.000 0.842 93 D CB 0.268 40.830 40.800 -0.396 0.000 0.957 93 D HN 0.406 nan 8.370 nan 0.000 0.484 94 H N -1.714 117.378 119.070 0.035 0.000 3.046 94 H HA 0.384 4.940 4.556 0.000 0.000 0.363 94 H C -1.456 173.968 175.328 0.160 0.000 1.203 94 H CA -0.704 55.387 56.048 0.071 0.000 1.169 94 H CB 1.722 31.508 29.762 0.039 0.000 1.851 94 H HN -0.098 nan 8.280 nan 0.000 0.546 95 F N 1.208 121.238 119.950 0.132 0.000 2.615 95 F HA 0.430 4.957 4.527 0.000 0.000 0.312 95 F C -1.476 174.359 175.800 0.058 0.000 1.119 95 F CA -0.326 57.723 58.000 0.083 0.000 0.979 95 F CB 2.073 41.077 39.000 0.006 0.000 1.266 95 F HN 0.623 nan 8.300 nan 0.000 0.444 96 E N 4.144 123.688 120.200 -1.093 0.000 2.363 96 E HA 0.760 5.110 4.350 0.000 0.000 0.281 96 E C -2.084 174.030 176.600 -0.810 0.000 0.953 96 E CA -0.952 55.010 56.400 -0.730 0.000 0.778 96 E CB 2.118 31.647 29.700 -0.285 0.000 1.220 96 E HN 0.911 nan 8.360 nan 0.000 0.431 97 A N 4.107 126.650 122.820 -0.461 0.000 2.353 97 A HA 0.674 4.994 4.320 0.000 0.000 0.299 97 A C -1.026 176.418 177.584 -0.234 0.000 1.089 97 A CA -0.649 51.229 52.037 -0.265 0.000 0.736 97 A CB 1.089 20.059 19.000 -0.051 0.000 1.195 97 A HN 0.561 nan 8.150 nan 0.000 0.447 98 R N 2.274 122.667 120.500 -0.178 0.000 2.393 98 R HA 0.437 4.778 4.340 0.000 0.000 0.315 98 R C -1.293 174.948 176.300 -0.099 0.000 0.952 98 R CA -0.723 55.294 56.100 -0.137 0.000 0.842 98 R CB 1.245 31.525 30.300 -0.033 0.000 1.163 98 R HN 0.739 nan 8.270 nan 0.000 0.450 99 H N 1.317 120.368 119.070 -0.032 0.000 2.556 99 H HA 0.359 4.916 4.556 0.000 0.000 0.310 99 H C 0.359 175.598 175.328 -0.148 0.000 1.057 99 H CA -0.439 55.570 56.048 -0.065 0.000 1.264 99 H CB 1.796 31.515 29.762 -0.071 0.000 1.404 99 H HN 0.855 nan 8.280 nan 0.000 0.462 100 G N 1.776 110.362 108.800 -0.357 0.000 3.075 100 G HA2 0.434 4.395 3.960 0.000 0.000 0.253 100 G HA3 0.434 4.395 3.960 0.000 0.000 0.253 100 G C -0.520 173.876 174.900 -0.841 0.000 1.353 100 G CA -0.893 43.746 45.100 -0.768 0.000 1.051 100 G HN 0.502 nan 8.290 nan 0.000 0.553 101 L N 1.490 122.138 121.223 -0.958 0.000 2.334 101 L HA 0.421 4.761 4.340 0.000 0.000 0.286 101 L C 1.346 178.052 176.870 -0.274 0.000 1.108 101 L CA 0.614 54.771 54.840 -1.138 0.000 0.875 101 L CB 0.256 41.379 42.059 -1.559 0.000 1.246 101 L HN 1.045 nan 8.230 nan 0.000 0.439 102 G N 2.702 111.586 108.800 0.141 0.000 2.157 102 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 102 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 102 G C -0.217 174.974 174.900 0.486 0.000 0.979 102 G CA 0.352 45.745 45.100 0.487 0.000 0.650 102 G HN 0.748 nan 8.290 nan 0.000 0.529 103 Y N -1.727 118.734 120.300 0.268 0.000 2.656 103 Y HA 0.784 5.334 4.550 0.000 0.000 0.334 103 Y C -0.467 175.595 175.900 0.269 0.000 1.179 103 Y CA -0.956 57.319 58.100 0.291 0.000 1.050 103 Y CB 0.688 39.261 38.460 0.188 0.000 1.308 103 Y HN 0.416 nan 8.280 nan 0.000 0.456 104 S N 1.270 117.233 115.700 0.438 0.000 2.564 104 S HA 0.703 5.173 4.470 0.000 0.000 0.274 104 S C -1.392 173.491 174.600 0.471 0.000 1.124 104 S CA -1.148 57.276 58.200 0.373 0.000 0.869 104 S CB 2.071 65.528 63.200 0.429 0.000 1.105 104 S HN 0.647 nan 8.310 nan 0.000 0.472 105 R N 1.211 121.899 120.500 0.313 0.000 2.561 105 R HA 0.635 4.976 4.340 0.000 0.000 0.297 105 R C -1.291 175.102 176.300 0.155 0.000 0.969 105 R CA -0.481 55.766 56.100 0.245 0.000 0.879 105 R CB 1.531 31.927 30.300 0.161 0.000 1.178 105 R HN 0.530 nan 8.270 nan 0.000 0.445 106 I N 1.896 122.585 120.570 0.198 0.000 2.466 106 I HA 0.337 4.507 4.170 0.000 0.000 0.289 106 I C -0.535 175.611 176.117 0.049 0.000 1.026 106 I CA -0.554 60.807 61.300 0.101 0.000 1.078 106 I CB 2.550 40.727 38.000 0.294 0.000 1.249 106 I HN 0.468 nan 8.210 nan 0.000 0.429 107 T N 3.940 118.422 114.554 -0.119 0.000 2.848 107 T HA 0.666 5.016 4.350 0.000 0.000 0.285 107 T C -0.153 174.561 174.700 0.024 0.000 0.995 107 T CA -0.738 61.349 62.100 -0.021 0.000 0.970 107 T CB 1.958 70.805 68.868 -0.035 0.000 0.976 107 T HN 0.800 nan 8.240 nan 0.000 0.441 108 G N 1.342 110.295 108.800 0.256 0.000 2.591 108 G HA2 0.670 4.630 3.960 0.000 0.000 0.306 108 G HA3 0.670 4.630 3.960 0.000 0.000 0.306 108 G C -1.650 173.523 174.900 0.455 0.000 1.334 108 G CA -0.544 44.819 45.100 0.438 0.000 0.981 108 G HN 0.665 nan 8.290 nan 0.000 0.491 109 E N 0.694 121.052 120.200 0.263 0.000 2.256 109 E HA 0.630 4.981 4.350 0.000 0.000 0.268 109 E C -0.886 175.527 176.600 -0.311 0.000 0.877 109 E CA -0.901 55.552 56.400 0.089 0.000 0.757 109 E CB 2.063 31.871 29.700 0.179 0.000 1.183 109 E HN 0.508 nan 8.360 nan 0.000 0.418 110 R N 3.816 123.894 120.500 -0.704 0.000 2.522 110 R HA 0.239 4.579 4.340 0.000 0.000 0.283 110 R C -1.019 174.971 176.300 -0.518 0.000 1.074 110 R CA -0.408 55.179 56.100 -0.855 0.000 0.925 110 R CB 0.724 30.011 30.300 -1.687 0.000 1.205 110 R HN 0.700 nan 8.270 nan 0.000 0.436 111 N N 2.895 121.423 118.700 -0.286 0.000 2.688 111 N HA -0.208 4.532 4.740 0.000 0.000 0.258 111 N C 0.474 175.961 175.510 -0.039 0.000 1.016 111 N CA 1.806 54.775 53.050 -0.134 0.000 0.747 111 N CB -0.881 37.536 38.487 -0.116 0.000 0.895 111 N HN 1.113 nan 8.380 nan 0.000 0.543 112 G N -2.102 106.689 108.800 -0.015 0.000 2.179 112 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 112 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 112 G C -0.296 174.659 174.900 0.091 0.000 0.977 112 G CA 0.381 45.505 45.100 0.041 0.000 0.641 112 G HN 0.424 nan 8.290 nan 0.000 0.533 113 L N 0.564 121.865 121.223 0.129 0.000 2.372 113 L HA 0.624 4.964 4.340 0.000 0.000 0.273 113 L C 0.010 177.075 176.870 0.325 0.000 0.989 113 L CA -1.119 53.871 54.840 0.250 0.000 0.841 113 L CB 1.677 43.972 42.059 0.393 0.000 1.225 113 L HN 0.225 nan 8.230 nan 0.000 0.414 114 K N 3.367 123.918 120.400 0.252 0.000 2.185 114 K HA 0.731 5.051 4.320 0.000 0.000 0.269 114 K C -1.481 175.274 176.600 0.259 0.000 0.987 114 K CA -0.508 55.936 56.287 0.261 0.000 0.865 114 K CB 1.309 33.906 32.500 0.162 0.000 1.090 114 K HN 0.380 nan 8.250 nan 0.000 0.450 115 V N 4.492 124.587 119.914 0.301 0.000 2.409 115 V HA 0.240 4.360 4.120 0.000 0.000 0.290 115 V C -0.662 175.519 176.094 0.146 0.000 1.017 115 V CA -0.766 61.646 62.300 0.187 0.000 0.841 115 V CB 1.274 33.164 31.823 0.112 0.000 1.003 115 V HN 0.850 nan 8.190 nan 0.000 0.426 116 E N 3.040 123.297 120.200 0.095 0.000 2.179 116 E HA 0.634 4.984 4.350 0.000 0.000 0.275 116 E C -1.053 175.567 176.600 0.033 0.000 0.945 116 E CA -0.398 56.042 56.400 0.066 0.000 0.792 116 E CB 1.739 31.467 29.700 0.047 0.000 1.125 116 E HN 0.625 nan 8.360 nan 0.000 0.397 117 T N 4.453 119.018 114.554 0.018 0.000 2.841 117 T HA 0.299 4.649 4.350 0.000 0.000 0.285 117 T C -0.983 173.635 174.700 -0.137 0.000 0.991 117 T CA -0.619 61.406 62.100 -0.125 0.000 0.966 117 T CB 0.823 69.523 68.868 -0.279 0.000 0.962 117 T HN 0.389 nan 8.240 nan 0.000 0.438 118 L N 4.441 125.580 121.223 -0.140 0.000 2.264 118 L HA 0.681 5.021 4.340 0.000 0.000 0.289 118 L C -1.594 175.282 176.870 0.009 0.000 1.044 118 L CA -0.365 54.489 54.840 0.024 0.000 0.807 118 L CB -0.179 41.900 42.059 0.034 0.000 1.192 118 L HN 0.497 nan 8.230 nan 0.000 0.425 119 F N 6.930 127.068 119.950 0.314 0.000 2.436 119 F HA 0.713 5.240 4.527 0.000 0.000 0.340 119 F C -0.149 175.946 175.800 0.492 0.000 1.113 119 F CA -0.322 57.873 58.000 0.325 0.000 1.022 119 F CB 1.358 40.493 39.000 0.225 0.000 1.128 119 F HN 0.523 nan 8.300 nan 0.000 0.466 120 F N 0.327 120.452 119.950 0.292 0.000 2.799 120 F HA 0.697 5.224 4.527 0.000 0.000 0.316 120 F C -2.388 173.488 175.800 0.126 0.000 1.155 120 F CA -1.349 56.794 58.000 0.238 0.000 0.916 120 F CB 0.917 40.065 39.000 0.247 0.000 1.294 120 F HN 0.043 nan 8.300 nan 0.000 0.447 121 V N 2.932 122.869 119.914 0.040 0.000 2.334 121 V HA 0.441 4.561 4.120 0.000 0.000 0.281 121 V C -2.246 173.791 176.094 -0.096 0.000 1.016 121 V CA -1.858 60.349 62.300 -0.155 0.000 0.832 121 V CB 1.160 33.013 31.823 0.051 0.000 0.999 121 V HN 0.587 nan 8.190 nan 0.000 0.439 122 P HA 0.140 nan 4.420 nan 0.000 0.269 122 P C -0.096 177.215 177.300 0.019 0.000 1.209 122 P CA -0.194 62.916 63.100 0.016 0.000 0.776 122 P CB 0.541 32.239 31.700 -0.003 0.000 0.876 123 L N 1.998 123.248 121.223 0.045 0.000 2.490 123 L HA 0.153 4.493 4.340 0.000 0.000 0.274 123 L C 1.728 178.577 176.870 -0.034 0.000 1.201 123 L CA 0.835 55.627 54.840 -0.079 0.000 0.869 123 L CB -0.695 41.267 42.059 -0.162 0.000 1.123 123 L HN 0.810 nan 8.230 nan 0.000 0.484 124 G N 1.540 110.308 108.800 -0.054 0.000 2.168 124 G HA2 -0.217 3.743 3.960 0.000 0.000 0.263 124 G HA3 -0.217 3.743 3.960 0.000 0.000 0.263 124 G C 0.124 175.021 174.900 -0.005 0.000 0.977 124 G CA -0.097 44.992 45.100 -0.017 0.000 0.659 124 G HN 0.595 nan 8.290 nan 0.000 0.533 125 E N -0.230 119.949 120.200 -0.034 0.000 2.238 125 E HA 0.326 4.677 4.350 0.000 0.000 0.267 125 E C -0.468 176.019 176.600 -0.189 0.000 0.887 125 E CA -0.793 55.561 56.400 -0.077 0.000 0.769 125 E CB 1.034 30.694 29.700 -0.068 0.000 1.187 125 E HN 0.367 nan 8.360 nan 0.000 0.416 126 N N 0.894 119.456 118.700 -0.230 0.000 3.301 126 N HA 0.429 5.169 4.740 0.000 0.000 0.289 126 N C -0.893 173.965 175.510 -1.087 0.000 1.343 126 N CA -0.132 52.675 53.050 -0.406 0.000 1.136 126 N CB 0.836 39.334 38.487 0.020 0.000 1.402 126 N HN 0.417 nan 8.380 nan 0.000 0.516 127 A N 0.726 122.670 122.820 -1.459 0.000 2.586 127 A HA 0.400 4.720 4.320 0.000 0.000 0.291 127 A C -1.523 175.591 177.584 -0.782 0.000 1.062 127 A CA -0.750 50.578 52.037 -1.181 0.000 0.666 127 A CB 1.385 20.057 19.000 -0.546 0.000 1.281 127 A HN 0.361 nan 8.150 nan 0.000 0.421 128 E N 0.914 120.920 120.200 -0.324 0.000 2.145 128 E HA 0.592 4.942 4.350 0.000 0.000 0.270 128 E C -1.490 174.989 176.600 -0.201 0.000 0.906 128 E CA -0.483 55.853 56.400 -0.106 0.000 0.761 128 E CB 1.526 31.343 29.700 0.195 0.000 1.116 128 E HN 0.467 nan 8.360 nan 0.000 0.408 129 V N 4.557 124.215 119.914 -0.426 0.000 2.483 129 V HA 0.285 4.405 4.120 0.000 0.000 0.295 129 V C -0.393 175.640 176.094 -0.103 0.000 1.035 129 V CA -0.658 61.398 62.300 -0.407 0.000 0.896 129 V CB 1.632 32.928 31.823 -0.879 0.000 0.986 129 V HN 0.723 nan 8.190 nan 0.000 0.447 130 Q N 3.420 123.219 119.800 -0.003 0.000 2.333 130 Q HA 0.465 4.805 4.340 0.000 0.000 0.268 130 Q C -0.743 175.292 176.000 0.058 0.000 1.007 130 Q CA -0.569 55.206 55.803 -0.047 0.000 0.810 130 Q CB 2.656 31.332 28.738 -0.103 0.000 1.264 130 Q HN 0.596 nan 8.270 nan 0.000 0.452 131 K N 2.957 123.377 120.400 0.033 0.000 2.334 131 K HA 0.387 4.707 4.320 0.000 0.000 0.265 131 K C -1.241 175.374 176.600 0.025 0.000 1.039 131 K CA -0.418 55.907 56.287 0.064 0.000 0.920 131 K CB 0.973 33.522 32.500 0.080 0.000 1.160 131 K HN 0.377 nan 8.250 nan 0.000 0.451 132 V N 3.711 123.674 119.914 0.081 0.000 2.407 132 V HA 0.260 4.380 4.120 0.000 0.000 0.278 132 V C -0.205 175.926 176.094 0.062 0.000 1.037 132 V CA -0.444 61.903 62.300 0.079 0.000 0.900 132 V CB 1.646 33.584 31.823 0.192 0.000 0.983 132 V HN 0.775 nan 8.190 nan 0.000 0.459 133 T N 4.602 119.185 114.554 0.048 0.000 2.842 133 T HA 0.360 4.710 4.350 0.000 0.000 0.308 133 T C -0.551 174.187 174.700 0.063 0.000 1.041 133 T CA -0.213 61.915 62.100 0.046 0.000 0.964 133 T CB 1.367 70.255 68.868 0.033 0.000 0.972 133 T HN 0.455 nan 8.240 nan 0.000 0.460 134 V N 4.804 124.758 119.914 0.067 0.000 2.370 134 V HA 0.660 4.780 4.120 0.000 0.000 0.279 134 V C -0.376 175.767 176.094 0.082 0.000 1.029 134 V CA 0.108 62.460 62.300 0.087 0.000 0.870 134 V CB 1.296 33.170 31.823 0.084 0.000 0.984 134 V HN 0.924 nan 8.190 nan 0.000 0.451 135 T N 5.946 120.559 114.554 0.100 0.000 2.841 135 T HA 0.347 4.698 4.350 0.000 0.000 0.283 135 T C -0.449 174.309 174.700 0.097 0.000 1.000 135 T CA -0.430 61.720 62.100 0.084 0.000 0.977 135 T CB 1.160 70.070 68.868 0.070 0.000 0.979 135 T HN 0.715 nan 8.240 nan 0.000 0.446 136 N N 2.041 120.787 118.700 0.077 0.000 2.437 136 N HA 0.112 4.852 4.740 0.000 0.000 0.243 136 N C 1.018 176.567 175.510 0.064 0.000 1.041 136 N CA -0.291 52.805 53.050 0.077 0.000 0.940 136 N CB 0.995 39.520 38.487 0.063 0.000 1.133 136 N HN 0.737 nan 8.380 nan 0.000 0.506 137 T N -0.622 113.973 114.554 0.070 0.000 3.122 137 T HA 0.103 4.453 4.350 0.000 0.000 0.250 137 T C 0.901 175.629 174.700 0.048 0.000 1.067 137 T CA -0.327 61.808 62.100 0.058 0.000 0.966 137 T CB -0.307 68.603 68.868 0.070 0.000 1.002 137 T HN 0.372 nan 8.240 nan 0.000 0.542 138 S N 1.678 117.406 115.700 0.046 0.000 2.713 138 S HA 0.367 4.837 4.470 0.000 0.000 0.277 138 S C 0.542 175.161 174.600 0.031 0.000 1.168 138 S CA -0.262 57.960 58.200 0.036 0.000 0.994 138 S CB 1.144 64.366 63.200 0.037 0.000 1.054 138 S HN 0.338 nan 8.310 nan 0.000 0.555 139 D N -0.584 119.832 120.400 0.026 0.000 2.340 139 D HA 0.382 5.023 4.640 0.000 0.000 0.217 139 D C 0.226 176.539 176.300 0.022 0.000 1.081 139 D CA -0.121 53.892 54.000 0.022 0.000 0.842 139 D CB -0.205 40.606 40.800 0.018 0.000 0.934 139 D HN 0.677 nan 8.370 nan 0.000 0.511 140 A N 0.971 123.807 122.820 0.026 0.000 2.435 140 A HA 0.642 4.963 4.320 0.000 0.000 0.304 140 A C -2.813 174.790 177.584 0.031 0.000 1.064 140 A CA -1.720 50.332 52.037 0.026 0.000 0.727 140 A CB 1.602 20.617 19.000 0.024 0.000 1.284 140 A HN -0.072 nan 8.150 nan 0.000 0.415 141 P HA 0.201 nan 4.420 nan 0.000 0.266 141 P C -0.886 176.438 177.300 0.040 0.000 1.195 141 P CA 0.423 63.543 63.100 0.033 0.000 0.768 141 P CB 0.580 32.297 31.700 0.028 0.000 0.838 142 K N 0.844 121.272 120.400 0.048 0.000 2.400 142 K HA 0.673 4.994 4.320 0.000 0.000 0.246 142 K C -0.126 176.510 176.600 0.060 0.000 0.995 142 K CA -0.659 55.664 56.287 0.059 0.000 0.840 142 K CB 2.175 34.720 32.500 0.075 0.000 1.293 142 K HN 0.506 nan 8.250 nan 0.000 0.445 143 T N -1.973 112.621 114.554 0.067 0.000 2.903 143 T HA 0.878 5.229 4.350 0.000 0.000 0.299 143 T C -1.115 173.634 174.700 0.081 0.000 1.093 143 T CA -0.858 61.279 62.100 0.062 0.000 1.002 143 T CB 1.991 70.889 68.868 0.050 0.000 1.127 143 T HN 0.739 nan 8.240 nan 0.000 0.488 144 A N 1.041 123.905 122.820 0.074 0.000 2.566 144 A HA 0.781 5.101 4.320 0.000 0.000 0.290 144 A C -0.781 176.835 177.584 0.054 0.000 1.071 144 A CA -0.990 51.102 52.037 0.091 0.000 0.658 144 A CB 1.210 20.284 19.000 0.122 0.000 1.285 144 A HN 0.969 nan 8.150 nan 0.000 0.427 145 T N 1.571 116.162 114.554 0.061 0.000 2.812 145 T HA 0.603 4.954 4.350 0.000 0.000 0.282 145 T C -0.712 173.945 174.700 -0.072 0.000 0.990 145 T CA -0.241 61.824 62.100 -0.058 0.000 0.960 145 T CB 0.657 69.474 68.868 -0.084 0.000 0.948 145 T HN 0.487 nan 8.240 nan 0.000 0.438 146 L N 3.579 124.709 121.223 -0.154 0.000 2.296 146 L HA 0.593 4.934 4.340 0.000 0.000 0.286 146 L C -0.968 175.839 176.870 -0.106 0.000 1.023 146 L CA -0.831 53.996 54.840 -0.021 0.000 0.812 146 L CB 0.836 42.923 42.059 0.047 0.000 1.223 146 L HN 0.598 nan 8.230 nan 0.000 0.421 147 F N 1.157 121.243 119.950 0.227 0.000 2.375 147 F HA 0.306 4.833 4.527 0.000 0.000 0.361 147 F C 0.859 176.887 175.800 0.380 0.000 1.117 147 F CA -0.668 57.533 58.000 0.334 0.000 1.037 147 F CB 1.770 41.010 39.000 0.400 0.000 1.192 147 F HN 0.478 nan 8.300 nan 0.000 0.452 148 S N 3.101 119.055 115.700 0.424 0.000 2.614 148 S HA 0.695 5.165 4.470 0.000 0.000 0.265 148 S C -0.971 173.877 174.600 0.412 0.000 1.303 148 S CA -0.473 57.912 58.200 0.307 0.000 1.000 148 S CB 1.646 64.935 63.200 0.148 0.000 0.935 148 S HN 0.544 nan 8.310 nan 0.000 0.551 149 F N 0.248 120.281 119.950 0.139 0.000 2.622 149 F HA 0.623 5.151 4.527 0.000 0.000 0.318 149 F C -1.558 174.079 175.800 -0.271 0.000 1.135 149 F CA -0.646 57.306 58.000 -0.080 0.000 1.015 149 F CB 1.445 40.507 39.000 0.103 0.000 1.275 149 F HN 0.693 nan 8.300 nan 0.000 0.457 150 V N 5.598 124.668 119.914 -1.407 0.000 2.817 150 V HA 0.391 4.511 4.120 0.000 0.000 0.303 150 V C -1.511 173.628 176.094 -1.592 0.000 1.151 150 V CA -0.365 61.117 62.300 -1.363 0.000 0.929 150 V CB 2.020 33.014 31.823 -1.383 0.000 1.030 150 V HN 0.864 nan 8.190 nan 0.000 0.427 151 E N 5.077 124.581 120.200 -1.160 0.000 2.134 151 E HA 0.480 4.830 4.350 0.000 0.000 0.278 151 E C -1.211 174.997 176.600 -0.653 0.000 0.959 151 E CA -0.533 55.389 56.400 -0.797 0.000 0.783 151 E CB 0.908 30.390 29.700 -0.364 0.000 1.095 151 E HN 0.509 nan 8.360 nan 0.000 0.399 152 F N 2.781 122.475 119.950 -0.428 0.000 2.406 152 F HA 0.206 4.733 4.527 0.000 0.000 0.327 152 F C 0.718 176.312 175.800 -0.343 0.000 1.153 152 F CA -0.628 57.077 58.000 -0.491 0.000 1.218 152 F CB 0.780 39.213 39.000 -0.946 0.000 1.215 152 F HN 0.418 nan 8.300 nan 0.000 0.570 153 C N 3.538 122.789 119.300 -0.081 0.000 2.454 153 C HA 0.564 5.024 4.460 0.000 0.000 0.336 153 C C 0.473 175.423 174.990 -0.066 0.000 1.189 153 C CA -0.981 58.004 59.018 -0.055 0.000 1.877 153 C CB 0.216 27.925 27.740 -0.053 0.000 2.348 153 C HN 0.721 nan 8.230 nan 0.000 0.508 154 L N 5.556 126.803 121.223 0.040 0.000 2.955 154 L HA 0.192 4.532 4.340 0.000 0.000 0.238 154 L C 0.513 177.511 176.870 0.213 0.000 1.359 154 L CA 0.202 55.113 54.840 0.117 0.000 1.214 154 L CB -0.976 41.187 42.059 0.173 0.000 1.600 154 L HN 1.049 nan 8.230 nan 0.000 0.442 155 W N -1.661 119.792 121.300 0.254 0.000 1.226 155 W HA -0.389 4.271 4.660 0.000 0.000 0.259 155 W C 1.256 177.869 176.519 0.157 0.000 1.438 155 W CA 1.161 58.647 57.345 0.235 0.000 1.835 155 W CB -1.047 28.575 29.460 0.270 0.000 1.355 155 W HN 0.408 nan 8.180 nan 0.000 0.457 156 N N 1.674 120.585 118.700 0.351 0.000 2.482 156 N HA 0.405 5.145 4.740 0.000 0.000 0.242 156 N C 0.813 176.386 175.510 0.104 0.000 1.100 156 N CA 0.876 54.042 53.050 0.193 0.000 0.946 156 N CB 0.994 39.572 38.487 0.151 0.000 1.227 156 N HN 0.285 nan 8.380 nan 0.000 0.508 157 A N 3.599 126.461 122.820 0.070 0.000 1.948 157 A HA -0.237 4.084 4.320 0.000 0.000 0.220 157 A C 1.972 179.544 177.584 -0.020 0.000 1.177 157 A CA 1.674 53.714 52.037 0.006 0.000 0.636 157 A CB -0.479 18.502 19.000 -0.032 0.000 0.815 157 A HN 0.813 nan 8.150 nan 0.000 0.449 158 Q N -0.518 119.273 119.800 -0.015 0.000 2.046 158 Q HA -0.243 4.097 4.340 0.000 0.000 0.200 158 Q C 1.816 177.784 176.000 -0.054 0.000 0.975 158 Q CA 1.989 57.772 55.803 -0.034 0.000 0.836 158 Q CB -0.271 28.453 28.738 -0.023 0.000 0.896 158 Q HN 0.684 nan 8.270 nan 0.000 0.428 159 D N -0.125 120.254 120.400 -0.034 0.000 2.117 159 D HA -0.209 4.431 4.640 0.000 0.000 0.197 159 D C 1.504 177.724 176.300 -0.133 0.000 0.987 159 D CA 1.606 55.569 54.000 -0.062 0.000 0.829 159 D CB -0.220 40.576 40.800 -0.006 0.000 0.961 159 D HN 0.396 nan 8.370 nan 0.000 0.460 160 D N -0.723 119.630 120.400 -0.079 0.000 2.158 160 D HA -0.189 4.451 4.640 0.000 0.000 0.197 160 D C 1.744 177.917 176.300 -0.212 0.000 0.995 160 D CA 1.240 55.187 54.000 -0.088 0.000 0.846 160 D CB 0.049 40.848 40.800 -0.002 0.000 0.941 160 D HN 0.358 nan 8.370 nan 0.000 0.456 161 Q N -1.549 118.146 119.800 -0.175 0.000 2.392 161 Q HA 0.091 4.432 4.340 0.000 0.000 0.203 161 Q C 1.238 177.095 176.000 -0.239 0.000 0.917 161 Q CA 1.191 56.915 55.803 -0.131 0.000 0.939 161 Q CB 0.742 29.460 28.738 -0.033 0.000 1.063 161 Q HN 0.407 nan 8.270 nan 0.000 0.516 162 T N -4.552 109.783 114.554 -0.366 0.000 2.993 162 T HA 0.098 4.449 4.350 0.000 0.000 0.260 162 T C 0.716 175.237 174.700 -0.297 0.000 0.939 162 T CA -0.266 61.681 62.100 -0.256 0.000 0.886 162 T CB -0.004 68.800 68.868 -0.106 0.000 1.209 162 T HN -0.081 nan 8.240 nan 0.000 0.518 163 N N 0.642 119.105 118.700 -0.394 0.000 2.671 163 N HA 0.311 5.051 4.740 0.000 0.000 0.303 163 N C 0.010 175.396 175.510 -0.206 0.000 1.351 163 N CA -0.793 52.123 53.050 -0.224 0.000 0.991 163 N CB -0.448 37.962 38.487 -0.128 0.000 1.307 163 N HN 0.323 nan 8.380 nan 0.000 0.512 164 Y N 0.139 120.443 120.300 0.007 0.000 2.315 164 Y HA -0.241 4.309 4.550 0.000 0.000 0.288 164 Y C 2.285 178.147 175.900 -0.064 0.000 1.154 164 Y CA 1.211 59.299 58.100 -0.020 0.000 1.229 164 Y CB -0.412 38.055 38.460 0.012 0.000 0.980 164 Y HN 0.428 nan 8.280 nan 0.000 0.540 165 Q N 0.971 120.825 119.800 0.089 0.000 2.234 165 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 165 Q C 2.018 178.010 176.000 -0.013 0.000 0.980 165 Q CA 2.112 57.932 55.803 0.029 0.000 0.869 165 Q CB -0.327 28.428 28.738 0.028 0.000 0.912 165 Q HN 0.552 nan 8.270 nan 0.000 0.436 166 R N 0.470 120.959 120.500 -0.018 0.000 2.098 166 R HA 0.011 4.351 4.340 0.000 0.000 0.203 166 R C 1.593 177.868 176.300 -0.042 0.000 1.166 166 R CA 0.879 56.962 56.100 -0.030 0.000 1.090 166 R CB -0.286 30.002 30.300 -0.020 0.000 0.992 166 R HN 0.482 nan 8.270 nan 0.000 0.477 167 N N 1.059 119.740 118.700 -0.033 0.000 2.519 167 N HA -0.129 4.611 4.740 0.000 0.000 0.186 167 N C 1.403 176.881 175.510 -0.053 0.000 1.062 167 N CA 0.993 54.032 53.050 -0.019 0.000 0.910 167 N CB -0.369 38.118 38.487 -0.000 0.000 0.958 167 N HN 0.374 nan 8.380 nan 0.000 0.445 168 L N -0.921 120.222 121.223 -0.133 0.000 2.465 168 L HA 0.112 4.452 4.340 0.000 0.000 0.224 168 L C 1.020 177.619 176.870 -0.453 0.000 1.145 168 L CA 0.515 55.124 54.840 -0.384 0.000 0.834 168 L CB -0.087 41.590 42.059 -0.637 0.000 0.944 168 L HN 0.217 nan 8.230 nan 0.000 0.451 169 S N -0.444 115.107 115.700 -0.249 0.000 2.539 169 S HA 0.193 4.663 4.470 0.000 0.000 0.221 169 S C 1.469 176.023 174.600 -0.075 0.000 0.987 169 S CA -0.246 57.847 58.200 -0.179 0.000 0.929 169 S CB 0.426 63.549 63.200 -0.130 0.000 0.832 169 S HN 0.456 nan 8.310 nan 0.000 0.492 170 I N -1.360 119.186 120.570 -0.041 0.000 4.057 170 I HA 0.443 4.613 4.170 0.000 0.000 0.334 170 I C 0.959 177.113 176.117 0.063 0.000 1.308 170 I CA -0.450 60.862 61.300 0.020 0.000 1.125 170 I CB -0.360 37.664 38.000 0.039 0.000 1.034 170 I HN 0.060 nan 8.210 nan 0.000 0.401 171 G N 2.447 111.286 108.800 0.064 0.000 2.272 171 G HA2 0.239 4.199 3.960 0.000 0.000 0.247 171 G HA3 0.239 4.199 3.960 0.000 0.000 0.247 171 G C -0.592 174.387 174.900 0.132 0.000 1.272 171 G CA 0.082 45.263 45.100 0.136 0.000 0.921 171 G HN 0.539 nan 8.290 nan 0.000 0.495 172 E N 0.079 120.368 120.200 0.148 0.000 2.314 172 E HA 0.526 4.876 4.350 0.000 0.000 0.272 172 E C -0.439 176.233 176.600 0.120 0.000 0.884 172 E CA -0.850 55.620 56.400 0.117 0.000 0.753 172 E CB 2.721 32.476 29.700 0.092 0.000 1.213 172 E HN 0.520 nan 8.360 nan 0.000 0.432 173 V N -1.128 118.852 119.914 0.110 0.000 3.181 173 V HA 0.674 4.795 4.120 0.000 0.000 0.308 173 V C -1.013 175.123 176.094 0.070 0.000 1.214 173 V CA -0.770 61.591 62.300 0.101 0.000 1.053 173 V CB 2.337 34.250 31.823 0.149 0.000 1.069 173 V HN 0.687 nan 8.190 nan 0.000 0.441 174 E N 0.147 120.395 120.200 0.080 0.000 2.314 174 E HA 0.697 5.047 4.350 0.000 0.000 0.272 174 E C -1.830 174.834 176.600 0.107 0.000 0.884 174 E CA -0.742 55.690 56.400 0.054 0.000 0.753 174 E CB 2.812 32.478 29.700 -0.057 0.000 1.213 174 E HN 0.653 nan 8.360 nan 0.000 0.432 175 V N 2.227 122.140 119.914 -0.001 0.000 2.417 175 V HA 0.291 4.412 4.120 0.000 0.000 0.291 175 V C -0.304 175.754 176.094 -0.060 0.000 1.024 175 V CA -0.483 61.737 62.300 -0.132 0.000 0.861 175 V CB 1.599 33.113 31.823 -0.515 0.000 0.985 175 V HN 0.686 nan 8.190 nan 0.000 0.436 176 E N 3.211 123.423 120.200 0.020 0.000 2.873 176 E HA 0.262 4.612 4.350 0.000 0.000 0.232 176 E C 0.402 177.017 176.600 0.026 0.000 1.123 176 E CA -0.402 56.042 56.400 0.074 0.000 0.809 176 E CB 0.868 30.727 29.700 0.265 0.000 1.366 176 E HN 0.629 nan 8.360 nan 0.000 0.400 177 Q N 0.939 120.726 119.800 -0.021 0.000 2.224 177 Q HA -0.046 4.294 4.340 0.000 0.000 0.203 177 Q C -0.263 175.740 176.000 0.005 0.000 0.970 177 Q CA 1.078 56.892 55.803 0.018 0.000 0.865 177 Q CB 0.363 29.142 28.738 0.069 0.000 0.922 177 Q HN 0.522 nan 8.270 nan 0.000 0.445 178 D N 0.713 121.113 120.400 -0.001 0.000 2.551 178 D HA 0.275 4.915 4.640 0.000 0.000 0.294 178 D C 0.053 176.325 176.300 -0.047 0.000 1.201 178 D CA 0.030 54.016 54.000 -0.024 0.000 0.941 178 D CB 0.611 41.402 40.800 -0.014 0.000 0.995 178 D HN 0.044 nan 8.370 nan 0.000 0.502 179 G N 1.487 110.248 108.800 -0.065 0.000 2.557 179 G HA2 0.268 4.228 3.960 0.000 0.000 0.292 179 G HA3 0.268 4.228 3.960 0.000 0.000 0.292 179 G C -0.996 173.759 174.900 -0.242 0.000 1.237 179 G CA -0.810 44.215 45.100 -0.124 0.000 0.978 179 G HN 0.028 nan 8.290 nan 0.000 0.498 180 P HA -0.104 nan 4.420 nan 0.000 0.218 180 P C 0.441 177.334 177.300 -0.679 0.000 1.149 180 P CA 1.359 64.098 63.100 -0.602 0.000 0.817 180 P CB 0.224 31.428 31.700 -0.828 0.000 0.785 181 H N -1.971 117.021 119.070 -0.131 0.000 3.058 181 H HA 0.465 5.021 4.556 0.000 0.000 0.266 181 H C 1.298 176.557 175.328 -0.115 0.000 1.135 181 H CA 0.776 56.762 56.048 -0.103 0.000 1.174 181 H CB 1.420 31.133 29.762 -0.082 0.000 1.581 181 H HN 0.228 nan 8.280 nan 0.000 0.553 182 G N 0.225 108.989 108.800 -0.060 0.000 2.356 182 G HA2 0.001 3.961 3.960 0.000 0.000 0.266 182 G HA3 0.001 3.961 3.960 0.000 0.000 0.266 182 G C -1.295 173.528 174.900 -0.128 0.000 1.312 182 G CA -0.670 44.365 45.100 -0.107 0.000 0.922 182 G HN 0.090 nan 8.290 nan 0.000 0.480 183 S N -0.316 115.251 115.700 -0.221 0.000 2.585 183 S HA 0.839 5.310 4.470 0.000 0.000 0.277 183 S C 0.230 174.669 174.600 -0.269 0.000 1.241 183 S CA 0.357 58.418 58.200 -0.233 0.000 1.041 183 S CB 1.387 64.399 63.200 -0.312 0.000 0.987 183 S HN 1.850 nan 8.310 nan 0.000 0.512 184 A N 2.182 124.972 122.820 -0.049 0.000 2.549 184 A HA 0.787 5.107 4.320 0.000 0.000 0.297 184 A C -1.223 176.363 177.584 0.003 0.000 1.061 184 A CA -0.625 51.391 52.037 -0.036 0.000 0.690 184 A CB 0.912 19.820 19.000 -0.152 0.000 1.287 184 A HN 0.737 nan 8.150 nan 0.000 0.402 185 I N 1.130 121.690 120.570 -0.016 0.000 2.474 185 I HA 0.440 4.610 4.170 0.000 0.000 0.294 185 I C -1.424 174.578 176.117 -0.191 0.000 1.005 185 I CA -0.560 60.749 61.300 0.016 0.000 1.113 185 I CB 1.898 40.012 38.000 0.189 0.000 1.289 185 I HN 0.675 nan 8.210 nan 0.000 0.436 186 Y N 3.686 124.008 120.300 0.037 0.000 2.341 186 Y HA 0.341 4.891 4.550 0.000 0.000 0.338 186 Y C -0.137 175.694 175.900 -0.115 0.000 0.965 186 Y CA -0.708 57.351 58.100 -0.068 0.000 1.108 186 Y CB 1.101 39.397 38.460 -0.274 0.000 1.180 186 Y HN 0.444 nan 8.280 nan 0.000 0.458 187 H N 4.047 122.975 119.070 -0.237 0.000 2.597 187 H HA 0.322 4.878 4.556 0.000 0.000 0.303 187 H C -0.276 175.017 175.328 -0.059 0.000 1.057 187 H CA -1.352 54.424 56.048 -0.454 0.000 1.261 187 H CB 0.711 29.620 29.762 -1.422 0.000 1.397 187 H HN 0.722 nan 8.280 nan 0.000 0.461 188 K N 2.743 122.995 120.400 -0.248 0.000 2.758 188 K HA 0.224 4.544 4.320 0.000 0.000 0.208 188 K C -0.470 176.109 176.600 -0.036 0.000 1.091 188 K CA -0.602 55.604 56.287 -0.136 0.000 1.059 188 K CB 0.150 32.520 32.500 -0.217 0.000 0.801 188 K HN 0.316 nan 8.250 nan 0.000 0.470 189 T N 2.963 117.409 114.554 -0.180 0.000 2.866 189 T HA -0.057 4.293 4.350 0.000 0.000 0.293 189 T C 0.161 174.957 174.700 0.159 0.000 1.005 189 T CA 0.773 62.899 62.100 0.045 0.000 1.162 189 T CB 0.144 69.067 68.868 0.092 0.000 0.968 189 T HN 0.576 nan 8.240 nan 0.000 0.530 190 E N 0.291 120.566 120.200 0.125 0.000 3.496 190 E HA -0.296 4.054 4.350 0.000 0.000 0.300 190 E C 0.199 176.816 176.600 0.028 0.000 0.877 190 E CA 0.655 57.101 56.400 0.078 0.000 1.050 190 E CB -1.435 28.308 29.700 0.071 0.000 1.532 190 E HN 0.865 nan 8.360 nan 0.000 0.447 191 Y N 1.069 121.325 120.300 -0.074 0.000 2.373 191 Y HA -0.078 4.472 4.550 0.000 0.000 0.293 191 Y C 2.487 178.410 175.900 0.038 0.000 1.129 191 Y CA 2.091 60.102 58.100 -0.147 0.000 1.226 191 Y CB -0.049 38.309 38.460 -0.170 0.000 1.000 191 Y HN 0.100 nan 8.280 nan 0.000 0.549 192 R N 0.717 121.400 120.500 0.305 0.000 2.117 192 R HA -0.212 4.128 4.340 0.000 0.000 0.243 192 R C 1.249 177.661 176.300 0.186 0.000 1.143 192 R CA 1.997 58.307 56.100 0.351 0.000 0.968 192 R CB -0.147 30.276 30.300 0.205 0.000 0.863 192 R HN 0.673 nan 8.270 nan 0.000 0.444 193 E N -0.852 119.387 120.200 0.066 0.000 3.700 193 E HA 0.103 4.453 4.350 0.000 0.000 0.357 193 E C 1.368 177.930 176.600 -0.062 0.000 0.577 193 E CA -0.658 55.750 56.400 0.013 0.000 1.888 193 E CB -0.304 29.404 29.700 0.014 0.000 2.230 193 E HN -0.016 nan 8.360 nan 0.000 0.479 194 R N 0.252 120.712 120.500 -0.068 0.000 2.316 194 R HA 0.152 4.492 4.340 0.000 0.000 0.202 194 R C 0.288 176.484 176.300 -0.173 0.000 1.029 194 R CA 0.238 56.282 56.100 -0.093 0.000 1.018 194 R CB -0.204 30.070 30.300 -0.043 0.000 0.888 194 R HN 0.136 nan 8.270 nan 0.000 0.471 195 R N 1.736 122.061 120.500 -0.292 0.000 2.308 195 R HA 0.014 4.354 4.340 0.000 0.000 0.305 195 R C 0.058 175.984 176.300 -0.623 0.000 1.053 195 R CA -0.180 55.587 56.100 -0.555 0.000 0.957 195 R CB 0.709 30.483 30.300 -0.876 0.000 1.022 195 R HN 0.121 nan 8.270 nan 0.000 0.461 196 D N 1.669 121.793 120.400 -0.460 0.000 2.368 196 D HA -0.019 4.621 4.640 0.000 0.000 0.218 196 D C -0.121 176.075 176.300 -0.174 0.000 1.112 196 D CA -0.020 53.766 54.000 -0.358 0.000 0.834 196 D CB 0.206 40.900 40.800 -0.176 0.000 0.953 196 D HN 0.579 nan 8.370 nan 0.000 0.505 197 H N -1.173 117.769 119.070 -0.213 0.000 2.821 197 H HA 0.556 5.112 4.556 0.000 0.000 0.373 197 H C -1.031 174.148 175.328 -0.248 0.000 1.165 197 H CA -0.967 54.828 56.048 -0.422 0.000 1.154 197 H CB 0.978 30.325 29.762 -0.692 0.000 1.765 197 H HN 0.053 nan 8.280 nan 0.000 0.549 198 Y N -0.375 119.815 120.300 -0.184 0.000 2.655 198 Y HA 0.800 5.350 4.550 0.000 0.000 0.336 198 Y C -1.531 174.503 175.900 0.223 0.000 1.154 198 Y CA -1.395 56.714 58.100 0.014 0.000 1.055 198 Y CB 0.963 39.232 38.460 -0.317 0.000 1.295 198 Y HN 0.956 nan 8.280 nan 0.000 0.465 199 A N 1.017 124.212 122.820 0.624 0.000 2.356 199 A HA 0.825 5.146 4.320 0.000 0.000 0.323 199 A C -1.564 176.245 177.584 0.375 0.000 1.119 199 A CA -0.770 51.551 52.037 0.474 0.000 0.790 199 A CB 1.669 20.913 19.000 0.407 0.000 1.273 199 A HN 1.227 nan 8.150 nan 0.000 0.452 200 V N 1.473 121.573 119.914 0.309 0.000 2.823 200 V HA 0.820 4.940 4.120 0.000 0.000 0.312 200 V C -1.963 174.315 176.094 0.306 0.000 1.072 200 V CA -0.615 61.764 62.300 0.132 0.000 0.937 200 V CB 1.879 33.707 31.823 0.008 0.000 1.013 200 V HN 0.943 nan 8.190 nan 0.000 0.430 201 F N 5.036 125.030 119.950 0.073 0.000 2.716 201 F HA 0.872 5.399 4.527 0.000 0.000 0.354 201 F C 0.056 175.955 175.800 0.166 0.000 1.168 201 F CA -0.239 57.858 58.000 0.161 0.000 1.045 201 F CB 1.388 40.526 39.000 0.230 0.000 1.311 201 F HN 0.705 nan 8.300 nan 0.000 0.477 202 G N 3.123 111.814 108.800 -0.182 0.000 2.733 202 G HA2 0.662 4.622 3.960 0.000 0.000 0.288 202 G HA3 0.662 4.622 3.960 0.000 0.000 0.288 202 G C -2.219 172.476 174.900 -0.341 0.000 1.373 202 G CA -0.977 43.981 45.100 -0.237 0.000 0.895 202 G HN 0.684 nan 8.290 nan 0.000 0.479 203 V N 0.101 119.759 119.914 -0.427 0.000 2.876 203 V HA 0.480 4.600 4.120 0.000 0.000 0.312 203 V C -0.375 175.502 176.094 -0.362 0.000 1.085 203 V CA -1.041 60.944 62.300 -0.524 0.000 0.945 203 V CB 2.156 33.545 31.823 -0.724 0.000 1.017 203 V HN 0.872 nan 8.190 nan 0.000 0.428 204 N N 3.116 121.625 118.700 -0.318 0.000 2.683 204 N HA 0.119 4.859 4.740 0.000 0.000 0.256 204 N C -0.296 175.116 175.510 -0.164 0.000 1.270 204 N CA 0.385 53.328 53.050 -0.179 0.000 0.954 204 N CB 0.237 38.644 38.487 -0.133 0.000 1.289 204 N HN 0.659 nan 8.380 nan 0.000 0.508 205 T N -0.885 113.553 114.554 -0.194 0.000 2.830 205 T HA 0.197 4.547 4.350 0.000 0.000 0.322 205 T C -1.647 172.963 174.700 -0.149 0.000 1.501 205 T CA -0.827 61.184 62.100 -0.148 0.000 1.036 205 T CB 1.333 70.112 68.868 -0.149 0.000 1.379 205 T HN 0.137 nan 8.240 nan 0.000 0.493 206 R N 2.474 122.916 120.500 -0.097 0.000 2.288 206 R HA 0.572 4.912 4.340 0.000 0.000 0.330 206 R C 0.191 176.460 176.300 -0.053 0.000 1.069 206 R CA -0.102 55.955 56.100 -0.072 0.000 0.941 206 R CB -0.097 30.179 30.300 -0.041 0.000 0.998 206 R HN 0.770 nan 8.270 nan 0.000 0.452 207 A N 3.856 126.645 122.820 -0.051 0.000 2.445 207 A HA 0.063 4.383 4.320 0.000 0.000 0.242 207 A C 0.875 178.507 177.584 0.079 0.000 1.075 207 A CA -0.205 51.844 52.037 0.022 0.000 0.777 207 A CB 0.305 19.373 19.000 0.113 0.000 1.013 207 A HN 0.792 nan 8.150 nan 0.000 0.493 208 D N 1.026 121.463 120.400 0.062 0.000 2.144 208 D HA 0.076 4.716 4.640 0.000 0.000 0.200 208 D C 0.968 177.336 176.300 0.114 0.000 0.978 208 D CA 1.895 55.931 54.000 0.061 0.000 0.833 208 D CB 0.267 41.075 40.800 0.013 0.000 0.961 208 D HN 0.703 nan 8.370 nan 0.000 0.470 209 G N -0.537 108.359 108.800 0.160 0.000 2.663 209 G HA2 0.497 4.457 3.960 0.000 0.000 0.299 209 G HA3 0.497 4.457 3.960 0.000 0.000 0.299 209 G C -1.568 173.533 174.900 0.335 0.000 1.372 209 G CA -0.754 44.460 45.100 0.190 0.000 0.781 209 G HN 0.131 nan 8.290 nan 0.000 0.491 210 F N -2.044 118.013 119.950 0.178 0.000 2.789 210 F HA 0.865 5.392 4.527 0.000 0.000 0.319 210 F C -1.858 174.027 175.800 0.142 0.000 1.168 210 F CA -1.240 56.836 58.000 0.128 0.000 0.934 210 F CB 1.982 41.038 39.000 0.093 0.000 1.375 210 F HN 0.413 nan 8.300 nan 0.000 0.480 211 D N -0.184 120.396 120.400 0.300 0.000 2.878 211 D HA 0.291 4.931 4.640 0.000 0.000 0.211 211 D C -0.504 175.949 176.300 0.254 0.000 1.271 211 D CA 0.063 54.199 54.000 0.227 0.000 0.845 211 D CB 2.402 43.359 40.800 0.262 0.000 1.679 211 D HN 0.857 nan 8.370 nan 0.000 0.536 212 T N -1.905 112.817 114.554 0.280 0.000 3.004 212 T HA 0.170 4.520 4.350 0.000 0.000 0.266 212 T C 0.177 174.996 174.700 0.198 0.000 0.986 212 T CA -0.193 62.045 62.100 0.231 0.000 0.902 212 T CB 0.596 69.625 68.868 0.269 0.000 1.118 212 T HN 0.173 nan 8.240 nan 0.000 0.522 213 D N 1.115 121.634 120.400 0.197 0.000 2.329 213 D HA 0.384 5.024 4.640 0.000 0.000 0.232 213 D C 1.293 177.721 176.300 0.213 0.000 1.088 213 D CA -0.759 53.356 54.000 0.191 0.000 0.835 213 D CB 1.367 42.259 40.800 0.153 0.000 1.078 213 D HN 0.005 nan 8.370 nan 0.000 0.495 214 R N 2.893 123.540 120.500 0.245 0.000 2.083 214 R HA -0.160 4.180 4.340 0.000 0.000 0.237 214 R C 0.719 177.158 176.300 0.232 0.000 1.137 214 R CA 1.596 57.871 56.100 0.292 0.000 0.951 214 R CB 0.031 30.515 30.300 0.307 0.000 0.851 214 R HN 0.596 nan 8.270 nan 0.000 0.434 215 D N -0.567 119.927 120.400 0.158 0.000 2.149 215 D HA -0.139 4.501 4.640 0.000 0.000 0.198 215 D C 1.710 177.999 176.300 -0.017 0.000 0.990 215 D CA 1.803 55.816 54.000 0.022 0.000 0.839 215 D CB -0.229 40.518 40.800 -0.087 0.000 0.948 215 D HN 0.334 nan 8.370 nan 0.000 0.460 216 T N 0.362 114.934 114.554 0.029 0.000 2.812 216 T HA -0.110 4.240 4.350 0.000 0.000 0.264 216 T C 1.709 176.419 174.700 0.017 0.000 1.042 216 T CA 0.427 62.529 62.100 0.003 0.000 1.140 216 T CB -0.386 68.501 68.868 0.032 0.000 0.870 216 T HN 0.101 nan 8.240 nan 0.000 0.445 217 F N 1.792 121.722 119.950 -0.034 0.000 2.102 217 F HA -0.091 4.436 4.527 0.000 0.000 0.298 217 F C 2.145 177.849 175.800 -0.161 0.000 1.105 217 F CA 0.946 58.908 58.000 -0.064 0.000 1.239 217 F CB -0.323 38.712 39.000 0.059 0.000 0.991 217 F HN -0.090 nan 8.300 nan 0.000 0.474 218 V N -0.131 119.762 119.914 -0.035 0.000 2.535 218 V HA 0.228 4.348 4.120 0.000 0.000 0.246 218 V C 1.081 177.036 176.094 -0.232 0.000 1.045 218 V CA 0.838 63.027 62.300 -0.185 0.000 1.058 218 V CB -1.255 30.540 31.823 -0.048 0.000 0.689 218 V HN 0.628 nan 8.190 nan 0.000 0.461 219 G N -0.122 108.566 108.800 -0.186 0.000 2.719 219 G HA2 0.228 4.189 3.960 0.000 0.000 0.686 219 G HA3 0.228 4.189 3.960 0.000 0.000 0.686 219 G C -0.249 174.498 174.900 -0.256 0.000 1.201 219 G CA -0.617 44.357 45.100 -0.211 0.000 0.768 219 G HN 0.999 nan 8.290 nan 0.000 0.629 220 A N 1.773 124.365 122.820 -0.380 0.000 2.483 220 A HA 0.629 4.950 4.320 0.000 0.000 0.238 220 A C 1.073 178.236 177.584 -0.702 0.000 1.070 220 A CA 1.463 53.059 52.037 -0.736 0.000 0.770 220 A CB -0.311 17.980 19.000 -1.181 0.000 1.008 220 A HN 2.166 nan 8.150 nan 0.000 0.497 221 Y N -1.162 119.090 120.300 -0.080 0.000 4.851 221 Y HA -0.228 4.322 4.550 0.000 0.000 0.235 221 Y C 0.419 176.268 175.900 -0.085 0.000 0.998 221 Y CA 0.586 58.641 58.100 -0.076 0.000 1.980 221 Y CB -2.484 35.933 38.460 -0.072 0.000 1.561 221 Y HN 0.699 nan 8.280 nan 0.000 0.585 222 N N 0.665 119.335 118.700 -0.049 0.000 2.466 222 N HA 0.589 5.329 4.740 0.000 0.000 0.294 222 N C 0.221 175.679 175.510 -0.087 0.000 1.129 222 N CA 0.057 53.063 53.050 -0.072 0.000 0.931 222 N CB 1.704 40.117 38.487 -0.124 0.000 1.193 222 N HN 0.262 nan 8.380 nan 0.000 0.500 223 S N -0.117 115.529 115.700 -0.091 0.000 2.730 223 S HA 0.398 4.868 4.470 0.000 0.000 0.284 223 S C 1.501 176.034 174.600 -0.111 0.000 1.153 223 S CA -0.765 57.380 58.200 -0.092 0.000 0.995 223 S CB 0.594 63.740 63.200 -0.090 0.000 1.058 223 S HN 0.462 nan 8.310 nan 0.000 0.552 224 L N 0.481 121.647 121.223 -0.095 0.000 2.187 224 L HA 0.004 4.344 4.340 0.000 0.000 0.213 224 L C 2.571 179.393 176.870 -0.081 0.000 1.100 224 L CA 1.331 56.115 54.840 -0.092 0.000 0.765 224 L CB -1.113 40.929 42.059 -0.028 0.000 0.904 224 L HN 0.995 nan 8.230 nan 0.000 0.437 225 G N -0.408 108.317 108.800 -0.125 0.000 2.598 225 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 225 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 225 G C 1.024 175.851 174.900 -0.122 0.000 1.131 225 G CA 0.119 45.133 45.100 -0.143 0.000 0.785 225 G HN 0.482 nan 8.290 nan 0.000 0.539 226 E N 0.061 120.175 120.200 -0.144 0.000 2.651 226 E HA 0.424 4.774 4.350 0.000 0.000 0.208 226 E C 0.735 177.184 176.600 -0.253 0.000 0.997 226 E CA -0.499 55.801 56.400 -0.167 0.000 1.020 226 E CB 0.949 30.570 29.700 -0.132 0.000 1.052 226 E HN 0.261 nan 8.360 nan 0.000 0.465 227 A N 1.190 123.801 122.820 -0.347 0.000 2.591 227 A HA -0.057 4.263 4.320 0.000 0.000 0.244 227 A C 1.339 178.549 177.584 -0.623 0.000 1.031 227 A CA 0.332 52.023 52.037 -0.576 0.000 0.767 227 A CB 0.188 18.613 19.000 -0.958 0.000 0.942 227 A HN 0.222 nan 8.150 nan 0.000 0.514 228 S N 2.158 117.531 115.700 -0.545 0.000 2.348 228 S HA -0.146 4.325 4.470 0.000 0.000 0.221 228 S C 1.977 176.234 174.600 -0.571 0.000 1.033 228 S CA 1.334 59.262 58.200 -0.454 0.000 1.010 228 S CB -0.458 62.545 63.200 -0.328 0.000 0.891 228 S HN 0.609 nan 8.310 nan 0.000 0.442 229 V N 3.043 122.486 119.914 -0.785 0.000 2.231 229 V HA -0.168 3.952 4.120 0.000 0.000 0.248 229 V C -0.653 174.839 176.094 -1.004 0.000 1.054 229 V CA 2.060 63.882 62.300 -0.796 0.000 1.015 229 V CB -1.765 29.531 31.823 -0.878 0.000 0.638 229 V HN 0.337 nan 8.190 nan 0.000 0.444 230 P HA -0.139 nan 4.420 nan 0.000 0.215 230 P C 1.733 178.632 177.300 -0.669 0.000 1.153 230 P CA 1.446 63.732 63.100 -1.357 0.000 0.853 230 P CB -0.123 30.928 31.700 -1.082 0.000 0.788 231 R N -0.547 119.649 120.500 -0.507 0.000 2.096 231 R HA -0.063 4.277 4.340 0.000 0.000 0.235 231 R C 2.227 178.400 176.300 -0.213 0.000 1.127 231 R CA 1.559 57.491 56.100 -0.281 0.000 0.968 231 R CB -0.954 29.196 30.300 -0.249 0.000 0.861 231 R HN 0.154 nan 8.270 nan 0.000 0.440 232 A N -0.126 122.538 122.820 -0.261 0.000 2.014 232 A HA 0.083 4.403 4.320 0.000 0.000 0.218 232 A C 1.613 179.147 177.584 -0.084 0.000 1.163 232 A CA 1.199 53.140 52.037 -0.159 0.000 0.652 232 A CB -0.299 18.599 19.000 -0.170 0.000 0.808 232 A HN 0.480 nan 8.150 nan 0.000 0.449 233 G N -1.555 107.183 108.800 -0.103 0.000 2.136 233 G HA2 -0.244 3.716 3.960 0.000 0.000 0.242 233 G HA3 -0.244 3.716 3.960 0.000 0.000 0.242 233 G C 0.053 175.150 174.900 0.328 0.000 0.989 233 G CA 0.704 45.894 45.100 0.150 0.000 0.682 233 G HN 0.813 nan 8.290 nan 0.000 0.522 234 K N 0.114 120.656 120.400 0.238 0.000 2.561 234 K HA 0.511 4.831 4.320 0.000 0.000 0.254 234 K C 0.074 176.811 176.600 0.228 0.000 0.942 234 K CA -0.420 56.020 56.287 0.254 0.000 0.818 234 K CB 1.125 33.686 32.500 0.102 0.000 1.306 234 K HN 0.102 nan 8.250 nan 0.000 0.435 235 S N 1.309 117.194 115.700 0.308 0.000 2.579 235 S HA 0.160 4.630 4.470 0.000 0.000 0.275 235 S C 0.830 175.439 174.600 0.015 0.000 1.345 235 S CA 0.027 58.350 58.200 0.206 0.000 1.031 235 S CB 1.376 64.676 63.200 0.166 0.000 0.892 235 S HN 0.685 nan 8.310 nan 0.000 0.529 236 A N 1.076 123.873 122.820 -0.038 0.000 2.308 236 A HA 0.244 4.564 4.320 0.000 0.000 0.217 236 A C 0.172 177.629 177.584 -0.212 0.000 1.216 236 A CA -0.173 51.809 52.037 -0.092 0.000 0.864 236 A CB -0.208 18.759 19.000 -0.055 0.000 0.902 236 A HN 0.795 nan 8.150 nan 0.000 0.499 237 D N 1.030 121.148 120.400 -0.469 0.000 2.701 237 D HA -0.140 4.501 4.640 0.000 0.000 0.235 237 D C 0.261 176.238 176.300 -0.538 0.000 1.155 237 D CA 1.323 54.622 54.000 -1.168 0.000 0.649 237 D CB -1.923 38.377 40.800 -0.835 0.000 1.050 237 D HN 0.667 nan 8.370 nan 0.000 0.425 238 S N -1.680 113.909 115.700 -0.186 0.000 2.549 238 S HA 0.410 4.880 4.470 0.000 0.000 0.279 238 S C 0.297 175.065 174.600 0.281 0.000 1.321 238 S CA -0.800 57.443 58.200 0.072 0.000 1.054 238 S CB 2.386 65.640 63.200 0.089 0.000 0.899 238 S HN 0.071 nan 8.310 nan 0.000 0.497 239 V N 2.948 123.014 119.914 0.253 0.000 2.334 239 V HA 0.605 4.725 4.120 0.000 0.000 0.281 239 V C 0.747 176.955 176.094 0.191 0.000 1.016 239 V CA -0.703 61.756 62.300 0.264 0.000 0.832 239 V CB 0.481 32.439 31.823 0.226 0.000 0.999 239 V HN 1.185 nan 8.190 nan 0.000 0.439 240 A N 3.820 126.757 122.820 0.196 0.000 2.466 240 A HA 0.560 4.880 4.320 0.000 0.000 0.238 240 A C 0.522 178.201 177.584 0.159 0.000 1.074 240 A CA 0.193 52.338 52.037 0.180 0.000 0.774 240 A CB 0.557 19.674 19.000 0.195 0.000 1.015 240 A HN 0.994 nan 8.150 nan 0.000 0.498 241 S N 1.077 116.877 115.700 0.165 0.000 2.423 241 S HA 0.548 5.018 4.470 0.000 0.000 0.213 241 S C 0.139 174.826 174.600 0.145 0.000 1.131 241 S CA 0.851 59.134 58.200 0.138 0.000 1.155 241 S CB -0.603 62.674 63.200 0.128 0.000 1.202 241 S HN 2.794 nan 8.310 nan 0.000 0.441 242 G N 3.603 112.455 108.800 0.086 0.000 2.645 242 G HA2 -0.172 3.788 3.960 0.000 0.000 0.239 242 G HA3 -0.172 3.788 3.960 0.000 0.000 0.239 242 G C 0.125 175.038 174.900 0.021 0.000 1.331 242 G CA 0.394 45.478 45.100 -0.027 0.000 0.890 242 G HN 1.309 nan 8.290 nan 0.000 0.572 243 W N -3.042 118.139 121.300 -0.200 0.000 2.034 243 W HA -0.205 4.456 4.660 0.000 0.000 0.277 243 W C 0.595 176.788 176.519 -0.544 0.000 1.199 243 W CA 2.006 59.029 57.345 -0.537 0.000 1.148 243 W CB -1.437 27.774 29.460 -0.416 0.000 0.887 243 W HN 0.905 nan 8.180 nan 0.000 0.537 244 Y N 0.906 121.434 120.300 0.380 0.000 2.587 244 Y HA 0.500 5.050 4.550 0.000 0.000 0.328 244 Y C -2.056 173.942 175.900 0.163 0.000 0.980 244 Y CA -2.955 55.278 58.100 0.221 0.000 1.272 244 Y CB 0.012 38.585 38.460 0.188 0.000 1.094 244 Y HN -0.337 nan 8.280 nan 0.000 0.503 245 P HA 0.261 nan 4.420 nan 0.000 0.271 245 P C -0.267 177.135 177.300 0.171 0.000 1.216 245 P CA -0.016 63.214 63.100 0.217 0.000 0.776 245 P CB 0.922 32.736 31.700 0.191 0.000 0.881 246 I N -1.113 119.527 120.570 0.118 0.000 3.279 246 I HA 0.893 5.063 4.170 0.000 0.000 0.315 246 I C -0.632 175.382 176.117 -0.172 0.000 1.187 246 I CA -1.344 59.797 61.300 -0.264 0.000 0.953 246 I CB 2.372 40.151 38.000 -0.367 0.000 1.279 246 I HN 0.322 nan 8.210 nan 0.000 0.465 247 G N 0.841 109.294 108.800 -0.578 0.000 2.544 247 G HA2 0.600 4.560 3.960 0.000 0.000 0.313 247 G HA3 0.600 4.560 3.960 0.000 0.000 0.313 247 G C -1.354 173.479 174.900 -0.111 0.000 1.316 247 G CA -0.489 44.520 45.100 -0.152 0.000 0.944 247 G HN 0.749 nan 8.290 nan 0.000 0.489 248 S N 1.559 117.243 115.700 -0.027 0.000 2.543 248 S HA 0.607 5.077 4.470 0.000 0.000 0.273 248 S C -1.587 172.951 174.600 -0.104 0.000 1.152 248 S CA -0.812 57.386 58.200 -0.004 0.000 0.910 248 S CB 1.145 64.230 63.200 -0.192 0.000 1.105 248 S HN 0.644 nan 8.310 nan 0.000 0.465 249 H N 1.591 120.840 119.070 0.297 0.000 2.717 249 H HA 0.547 5.103 4.556 0.000 0.000 0.366 249 H C -0.588 174.846 175.328 0.178 0.000 1.132 249 H CA -0.541 55.652 56.048 0.242 0.000 1.180 249 H CB 2.014 31.876 29.762 0.167 0.000 1.678 249 H HN 0.694 nan 8.280 nan 0.000 0.537 250 S N 1.448 117.261 115.700 0.188 0.000 2.451 250 S HA 0.610 5.080 4.470 0.000 0.000 0.301 250 S C -0.272 174.265 174.600 -0.106 0.000 1.116 250 S CA -0.746 57.342 58.200 -0.186 0.000 1.093 250 S CB 1.574 64.585 63.200 -0.316 0.000 1.017 250 S HN 0.264 nan 8.310 nan 0.000 0.482 251 V N 2.099 121.911 119.914 -0.169 0.000 2.525 251 V HA 0.705 4.826 4.120 0.000 0.000 0.299 251 V C 0.172 176.206 176.094 -0.100 0.000 1.034 251 V CA -0.814 61.438 62.300 -0.081 0.000 0.863 251 V CB 1.453 33.265 31.823 -0.017 0.000 0.999 251 V HN 1.183 nan 8.190 nan 0.000 0.423 252 A N 4.948 127.727 122.820 -0.068 0.000 2.362 252 A HA 0.766 5.087 4.320 0.000 0.000 0.276 252 A C -0.156 177.418 177.584 -0.016 0.000 1.153 252 A CA -0.277 51.735 52.037 -0.041 0.000 0.813 252 A CB 0.800 19.787 19.000 -0.022 0.000 1.081 252 A HN 1.478 nan 8.150 nan 0.000 0.507 253 V N 0.927 120.842 119.914 0.002 0.000 2.769 253 V HA 0.950 5.070 4.120 0.000 0.000 0.312 253 V C -0.231 175.879 176.094 0.027 0.000 1.061 253 V CA -0.004 62.304 62.300 0.015 0.000 0.931 253 V CB 1.597 33.435 31.823 0.025 0.000 1.010 253 V HN 1.202 nan 8.190 nan 0.000 0.433 254 T N 2.437 117.006 114.554 0.025 0.000 2.881 254 T HA 0.822 5.172 4.350 0.000 0.000 0.290 254 T C -0.931 173.787 174.700 0.031 0.000 1.000 254 T CA -0.618 61.500 62.100 0.030 0.000 0.978 254 T CB 1.379 70.260 68.868 0.022 0.000 0.997 254 T HN 0.855 nan 8.240 nan 0.000 0.443 255 L N 2.383 123.629 121.223 0.038 0.000 2.464 255 L HA 0.470 4.810 4.340 0.000 0.000 0.266 255 L C -0.072 176.819 176.870 0.036 0.000 0.965 255 L CA -1.121 53.741 54.840 0.037 0.000 0.833 255 L CB 2.445 44.533 42.059 0.048 0.000 1.296 255 L HN 0.566 nan 8.230 nan 0.000 0.405 256 Q N 1.974 121.791 119.800 0.029 0.000 2.382 256 Q HA 0.332 4.673 4.340 0.000 0.000 0.229 256 Q C -2.307 173.711 176.000 0.029 0.000 1.006 256 Q CA -1.762 54.056 55.803 0.026 0.000 0.916 256 Q CB 0.607 29.357 28.738 0.020 0.000 1.235 256 Q HN 0.247 nan 8.270 nan 0.000 0.512 257 P HA -0.055 nan 4.420 nan 0.000 0.262 257 P C 0.475 177.791 177.300 0.027 0.000 1.182 257 P CA 1.366 64.483 63.100 0.029 0.000 0.761 257 P CB 0.179 31.893 31.700 0.024 0.000 0.795 258 G N 1.821 110.640 108.800 0.031 0.000 2.189 258 G HA2 -0.307 3.654 3.960 0.000 0.000 0.267 258 G HA3 -0.307 3.654 3.960 0.000 0.000 0.267 258 G C 0.241 175.158 174.900 0.028 0.000 0.975 258 G CA 0.208 45.325 45.100 0.028 0.000 0.644 258 G HN 0.628 nan 8.290 nan 0.000 0.537 259 E N 0.830 121.048 120.200 0.030 0.000 2.313 259 E HA 0.598 4.948 4.350 0.000 0.000 0.272 259 E C 0.549 177.169 176.600 0.034 0.000 1.038 259 E CA 0.086 56.503 56.400 0.027 0.000 0.863 259 E CB 0.747 30.462 29.700 0.025 0.000 1.060 259 E HN 0.539 nan 8.360 nan 0.000 0.402 260 S N 3.827 119.545 115.700 0.029 0.000 2.634 260 S HA 0.662 5.132 4.470 0.000 0.000 0.296 260 S C -0.687 173.928 174.600 0.025 0.000 1.104 260 S CA -1.077 57.143 58.200 0.033 0.000 0.920 260 S CB 2.010 65.230 63.200 0.032 0.000 1.111 260 S HN 0.631 nan 8.310 nan 0.000 0.493 261 R N 0.350 120.866 120.500 0.028 0.000 2.651 261 R HA 0.510 4.851 4.340 0.000 0.000 0.278 261 R C -2.113 174.197 176.300 0.017 0.000 1.010 261 R CA -0.442 55.668 56.100 0.016 0.000 0.896 261 R CB 1.527 31.836 30.300 0.014 0.000 1.211 261 R HN 0.719 nan 8.270 nan 0.000 0.456 262 D N 3.348 123.749 120.400 0.003 0.000 2.163 262 D HA 0.450 5.090 4.640 0.000 0.000 0.248 262 D C -0.649 175.634 176.300 -0.027 0.000 1.035 262 D CA -0.183 53.817 54.000 0.001 0.000 0.872 262 D CB 1.772 42.571 40.800 -0.002 0.000 1.183 262 D HN 0.321 nan 8.370 nan 0.000 0.445 263 L N 1.188 122.394 121.223 -0.029 0.000 2.408 263 L HA 0.517 4.857 4.340 0.000 0.000 0.268 263 L C -0.909 175.868 176.870 -0.156 0.000 0.986 263 L CA -1.034 53.720 54.840 -0.143 0.000 0.820 263 L CB 2.322 44.304 42.059 -0.129 0.000 1.303 263 L HN 0.000 nan 8.230 nan 0.000 0.411 264 V N 2.875 122.627 119.914 -0.270 0.000 2.378 264 V HA 0.425 4.545 4.120 0.000 0.000 0.288 264 V C -0.932 174.979 176.094 -0.305 0.000 1.016 264 V CA -0.597 61.612 62.300 -0.152 0.000 0.840 264 V CB 1.255 33.054 31.823 -0.040 0.000 0.994 264 V HN 0.411 nan 8.190 nan 0.000 0.431 265 Y N 3.125 123.371 120.300 -0.090 0.000 2.420 265 Y HA 0.767 5.317 4.550 0.000 0.000 0.334 265 Y C 0.061 175.891 175.900 -0.116 0.000 1.094 265 Y CA -1.000 57.010 58.100 -0.151 0.000 1.126 265 Y CB 2.090 40.464 38.460 -0.143 0.000 1.217 265 Y HN 0.340 nan 8.280 nan 0.000 0.462 266 V N 3.768 123.695 119.914 0.023 0.000 2.623 266 V HA 0.314 4.434 4.120 0.000 0.000 0.304 266 V C -1.345 174.857 176.094 0.180 0.000 1.054 266 V CA -0.754 61.558 62.300 0.020 0.000 0.882 266 V CB 2.065 33.859 31.823 -0.049 0.000 1.002 266 V HN 0.531 nan 8.190 nan 0.000 0.424 267 L N 4.868 126.224 121.223 0.223 0.000 2.277 267 L HA 0.920 5.260 4.340 0.000 0.000 0.284 267 L C 0.304 177.265 176.870 0.150 0.000 1.028 267 L CA 0.418 55.461 54.840 0.338 0.000 0.835 267 L CB 0.849 43.100 42.059 0.320 0.000 1.215 267 L HN 0.729 nan 8.230 nan 0.000 0.425 268 G N 3.208 112.105 108.800 0.162 0.000 2.453 268 G HA2 0.392 4.352 3.960 0.000 0.000 0.323 268 G HA3 0.392 4.352 3.960 0.000 0.000 0.323 268 G C -2.116 172.894 174.900 0.184 0.000 1.198 268 G CA -0.519 44.611 45.100 0.050 0.000 0.959 268 G HN 0.502 nan 8.290 nan 0.000 0.482 269 Y N 2.315 122.607 120.300 -0.013 0.000 2.342 269 Y HA 0.650 5.201 4.550 0.000 0.000 0.338 269 Y C -1.033 174.762 175.900 -0.175 0.000 0.965 269 Y CA -1.170 56.960 58.100 0.051 0.000 1.159 269 Y CB 0.879 39.422 38.460 0.138 0.000 1.157 269 Y HN 0.215 nan 8.280 nan 0.000 0.486 270 L N 5.703 126.427 121.223 -0.832 0.000 2.341 270 L HA 0.576 4.916 4.340 0.000 0.000 0.267 270 L C -0.650 175.594 176.870 -1.044 0.000 1.009 270 L CA -1.023 53.292 54.840 -0.875 0.000 0.819 270 L CB 2.047 43.572 42.059 -0.890 0.000 1.323 270 L HN 0.706 nan 8.230 nan 0.000 0.425 271 E N 1.498 121.301 120.200 -0.662 0.000 2.343 271 E HA 0.496 4.847 4.350 0.000 0.000 0.270 271 E C -1.101 175.339 176.600 -0.267 0.000 0.895 271 E CA -0.857 55.285 56.400 -0.430 0.000 0.767 271 E CB 2.875 32.404 29.700 -0.286 0.000 1.248 271 E HN 0.429 nan 8.360 nan 0.000 0.440 272 N N 1.549 120.147 118.700 -0.171 0.000 2.225 272 N HA 0.414 5.154 4.740 0.000 0.000 0.298 272 N C -2.752 172.686 175.510 -0.119 0.000 1.076 272 N CA -1.695 51.283 53.050 -0.119 0.000 0.792 272 N CB 2.009 40.453 38.487 -0.073 0.000 1.498 272 N HN 0.152 nan 8.380 nan 0.000 0.474 273 P HA 0.122 nan 4.420 nan 0.000 0.269 273 P C 0.410 177.646 177.300 -0.107 0.000 1.209 273 P CA -0.131 62.922 63.100 -0.079 0.000 0.776 273 P CB 0.893 32.562 31.700 -0.051 0.000 0.876 274 D N 1.601 121.939 120.400 -0.104 0.000 2.172 274 D HA -0.185 4.455 4.640 0.000 0.000 0.196 274 D C 0.738 176.983 176.300 -0.092 0.000 0.999 274 D CA 1.526 55.452 54.000 -0.122 0.000 0.856 274 D CB -0.031 40.722 40.800 -0.078 0.000 0.934 274 D HN 0.455 nan 8.370 nan 0.000 0.453 275 E N 0.300 120.470 120.200 -0.049 0.000 2.463 275 E HA 0.021 4.372 4.350 0.000 0.000 0.191 275 E C 0.438 177.029 176.600 -0.014 0.000 1.083 275 E CA 0.246 56.639 56.400 -0.012 0.000 0.872 275 E CB 0.162 29.864 29.700 0.004 0.000 0.966 275 E HN 0.264 nan 8.360 nan 0.000 0.491 276 E N -0.954 119.211 120.200 -0.058 0.000 3.085 276 E HA 0.123 4.473 4.350 0.000 0.000 0.179 276 E C 0.609 177.139 176.600 -0.116 0.000 0.951 276 E CA -0.014 56.355 56.400 -0.052 0.000 1.326 276 E CB 0.361 30.038 29.700 -0.039 0.000 1.043 276 E HN 0.089 nan 8.360 nan 0.000 0.457 277 K N -0.256 119.997 120.400 -0.244 0.000 2.103 277 K HA -0.037 4.283 4.320 0.000 0.000 0.204 277 K C 0.274 176.522 176.600 -0.587 0.000 1.052 277 K CA 1.132 57.121 56.287 -0.495 0.000 0.945 277 K CB 0.226 32.134 32.500 -0.987 0.000 0.722 277 K HN -0.014 nan 8.250 nan 0.000 0.443 278 W N -0.944 120.304 121.300 -0.086 0.000 2.578 278 W HA 0.411 5.071 4.660 0.000 0.000 0.346 278 W C 0.690 177.189 176.519 -0.034 0.000 1.075 278 W CA -0.860 56.447 57.345 -0.063 0.000 1.233 278 W CB 1.022 30.394 29.460 -0.147 0.000 1.358 278 W HN -0.159 nan 8.180 nan 0.000 0.574 279 A N 0.639 123.588 122.820 0.215 0.000 2.169 279 A HA 0.064 4.384 4.320 0.000 0.000 0.210 279 A C 0.230 177.889 177.584 0.125 0.000 1.168 279 A CA 0.623 52.723 52.037 0.105 0.000 0.813 279 A CB -0.561 18.454 19.000 0.024 0.000 0.861 279 A HN 0.590 nan 8.150 nan 0.000 0.481 280 D N -1.639 118.871 120.400 0.184 0.000 2.374 280 D HA 0.241 4.881 4.640 0.000 0.000 0.239 280 D C -0.618 175.782 176.300 0.167 0.000 0.991 280 D CA -0.640 53.436 54.000 0.127 0.000 0.960 280 D CB 0.594 41.440 40.800 0.076 0.000 1.284 280 D HN -0.070 nan 8.370 nan 0.000 0.512 281 D N 0.250 120.695 120.400 0.074 0.000 2.224 281 D HA -0.054 4.586 4.640 0.000 0.000 0.205 281 D C 1.667 177.891 176.300 -0.127 0.000 0.965 281 D CA 1.066 55.077 54.000 0.018 0.000 0.852 281 D CB 0.020 40.803 40.800 -0.029 0.000 0.947 281 D HN 0.578 nan 8.370 nan 0.000 0.494 282 A N 0.224 122.982 122.820 -0.104 0.000 2.168 282 A HA -0.119 4.201 4.320 0.000 0.000 0.215 282 A C 0.219 177.640 177.584 -0.271 0.000 1.152 282 A CA 0.457 52.379 52.037 -0.191 0.000 0.716 282 A CB -0.830 18.098 19.000 -0.120 0.000 0.794 282 A HN 0.448 nan 8.150 nan 0.000 0.465 283 H N -1.537 117.269 119.070 -0.441 0.000 2.748 283 H HA -0.134 4.422 4.556 0.000 0.000 0.322 283 H C 0.236 174.850 175.328 -1.190 0.000 1.208 283 H CA 0.386 55.746 56.048 -1.146 0.000 1.151 283 H CB -0.760 28.120 29.762 -1.470 0.000 1.505 283 H HN 0.601 nan 8.280 nan 0.000 0.429 284 Q N -0.552 119.059 119.800 -0.315 0.000 2.245 284 Q HA 0.215 4.555 4.340 0.000 0.000 0.250 284 Q C 0.444 176.546 176.000 0.169 0.000 0.830 284 Q CA 0.351 56.080 55.803 -0.123 0.000 0.950 284 Q CB 1.694 30.385 28.738 -0.079 0.000 1.124 284 Q HN 0.240 nan 8.270 nan 0.000 0.502 285 V N 2.776 122.863 119.914 0.288 0.000 2.409 285 V HA 0.289 4.409 4.120 0.000 0.000 0.291 285 V C 0.321 176.569 176.094 0.256 0.000 1.020 285 V CA -1.134 61.285 62.300 0.199 0.000 0.848 285 V CB 1.665 33.529 31.823 0.068 0.000 0.990 285 V HN 0.091 nan 8.190 nan 0.000 0.430 286 V N 2.532 122.395 119.914 -0.085 0.000 2.740 286 V HA 0.336 4.456 4.120 0.000 0.000 0.303 286 V C 0.485 176.342 176.094 -0.395 0.000 1.054 286 V CA -0.408 61.632 62.300 -0.433 0.000 1.106 286 V CB 0.866 32.044 31.823 -1.076 0.000 0.957 286 V HN 0.889 nan 8.190 nan 0.000 0.486 287 N N 3.701 122.239 118.700 -0.270 0.000 2.416 287 N HA 0.151 4.891 4.740 0.000 0.000 0.265 287 N C 0.480 175.857 175.510 -0.221 0.000 1.195 287 N CA 0.138 53.080 53.050 -0.180 0.000 0.943 287 N CB 0.692 39.126 38.487 -0.090 0.000 1.115 287 N HN 0.806 nan 8.380 nan 0.000 0.481 288 K N 2.776 122.965 120.400 -0.352 0.000 2.417 288 K HA 0.153 4.473 4.320 0.000 0.000 0.196 288 K C 1.500 177.860 176.600 -0.401 0.000 1.023 288 K CA 0.173 56.194 56.287 -0.444 0.000 1.122 288 K CB 0.258 32.289 32.500 -0.782 0.000 0.850 288 K HN 0.578 nan 8.250 nan 0.000 0.521 289 A N 3.328 126.022 122.820 -0.209 0.000 1.884 289 A HA -0.169 4.151 4.320 0.000 0.000 0.219 289 A C -0.254 177.323 177.584 -0.011 0.000 1.197 289 A CA 1.603 53.593 52.037 -0.078 0.000 0.637 289 A CB -1.467 17.516 19.000 -0.028 0.000 0.827 289 A HN 0.205 nan 8.150 nan 0.000 0.450 290 P HA -0.087 nan 4.420 nan 0.000 0.218 290 P C 1.524 178.851 177.300 0.046 0.000 1.149 290 P CA 1.812 64.908 63.100 -0.007 0.000 0.817 290 P CB -0.146 31.504 31.700 -0.083 0.000 0.785 291 A N 0.152 123.037 122.820 0.109 0.000 1.873 291 A HA -0.194 4.126 4.320 0.000 0.000 0.215 291 A C 2.161 179.900 177.584 0.258 0.000 1.186 291 A CA 1.391 53.557 52.037 0.216 0.000 0.616 291 A CB -1.938 17.334 19.000 0.454 0.000 0.823 291 A HN 0.251 nan 8.150 nan 0.000 0.442 292 H N -0.649 118.529 119.070 0.179 0.000 2.319 292 H HA -0.075 4.481 4.556 0.000 0.000 0.299 292 H C 2.565 177.991 175.328 0.164 0.000 1.092 292 H CA 0.762 56.918 56.048 0.180 0.000 1.302 292 H CB -0.006 29.834 29.762 0.129 0.000 1.373 292 H HN 0.564 nan 8.280 nan 0.000 0.497 293 A N 1.231 124.188 122.820 0.229 0.000 1.883 293 A HA -0.191 4.129 4.320 0.000 0.000 0.217 293 A C 2.338 179.959 177.584 0.061 0.000 1.186 293 A CA 1.630 53.736 52.037 0.116 0.000 0.624 293 A CB -0.780 18.260 19.000 0.066 0.000 0.822 293 A HN 0.342 nan 8.150 nan 0.000 0.444 294 L N -0.176 121.097 121.223 0.084 0.000 2.012 294 L HA -0.139 4.202 4.340 0.000 0.000 0.210 294 L C 2.277 179.215 176.870 0.114 0.000 1.073 294 L CA 1.898 56.795 54.840 0.096 0.000 0.748 294 L CB -0.540 41.571 42.059 0.087 0.000 0.891 294 L HN 0.403 nan 8.230 nan 0.000 0.431 295 L N -0.563 120.724 121.223 0.107 0.000 2.131 295 L HA -0.110 4.231 4.340 0.000 0.000 0.210 295 L C 2.479 179.232 176.870 -0.196 0.000 1.092 295 L CA 1.088 55.964 54.840 0.059 0.000 0.759 295 L CB -1.266 40.882 42.059 0.148 0.000 0.903 295 L HN 0.502 nan 8.230 nan 0.000 0.435 296 G N -0.435 108.156 108.800 -0.348 0.000 2.443 296 G HA2 -0.180 3.781 3.960 0.000 0.000 0.219 296 G HA3 -0.180 3.781 3.960 0.000 0.000 0.219 296 G C 1.691 176.317 174.900 -0.455 0.000 1.131 296 G CA 0.065 44.660 45.100 -0.841 0.000 0.775 296 G HN 0.291 nan 8.290 nan 0.000 0.547 297 R N -0.923 119.388 120.500 -0.315 0.000 2.307 297 R HA 0.145 4.485 4.340 0.000 0.000 0.199 297 R C -0.002 175.749 176.300 -0.916 0.000 1.000 297 R CA 0.301 56.092 56.100 -0.515 0.000 1.023 297 R CB 0.035 30.053 30.300 -0.471 0.000 0.908 297 R HN 0.401 nan 8.270 nan 0.000 0.473 298 F N -1.470 118.392 119.950 -0.148 0.000 2.671 298 F HA 0.325 4.852 4.527 0.000 0.000 0.384 298 F C 0.929 176.650 175.800 -0.132 0.000 1.351 298 F CA -0.538 57.398 58.000 -0.106 0.000 1.151 298 F CB 0.735 39.683 39.000 -0.086 0.000 1.147 298 F HN -0.123 nan 8.300 nan 0.000 0.513 299 A N -0.467 122.280 122.820 -0.123 0.000 2.123 299 A HA 0.169 4.489 4.320 0.000 0.000 0.214 299 A C 1.241 178.786 177.584 -0.065 0.000 1.152 299 A CA 1.357 53.321 52.037 -0.121 0.000 0.728 299 A CB -0.343 18.524 19.000 -0.223 0.000 0.814 299 A HN 0.292 nan 8.150 nan 0.000 0.464 300 T N -5.328 109.194 114.554 -0.053 0.000 2.916 300 T HA 0.482 4.832 4.350 0.000 0.000 0.292 300 T C 0.679 175.382 174.700 0.005 0.000 1.055 300 T CA 0.215 62.297 62.100 -0.031 0.000 1.009 300 T CB 1.586 70.428 68.868 -0.043 0.000 1.118 300 T HN -0.104 nan 8.240 nan 0.000 0.497 301 S N 0.438 116.140 115.700 0.004 0.000 2.423 301 S HA -0.070 4.400 4.470 0.000 0.000 0.231 301 S C 1.718 176.328 174.600 0.017 0.000 1.014 301 S CA 1.276 59.488 58.200 0.020 0.000 0.965 301 S CB -0.438 62.765 63.200 0.004 0.000 0.785 301 S HN 0.825 nan 8.310 nan 0.000 0.495 302 E N 1.647 121.844 120.200 -0.004 0.000 2.110 302 E HA -0.120 4.230 4.350 0.000 0.000 0.193 302 E C 2.170 178.763 176.600 -0.011 0.000 0.988 302 E CA 1.030 57.422 56.400 -0.014 0.000 0.804 302 E CB -0.263 29.421 29.700 -0.026 0.000 0.745 302 E HN 0.551 nan 8.360 nan 0.000 0.458 303 Q N -0.129 119.658 119.800 -0.022 0.000 2.119 303 Q HA -0.079 4.261 4.340 0.000 0.000 0.201 303 Q C 2.190 178.240 176.000 0.082 0.000 0.972 303 Q CA 1.194 56.965 55.803 -0.054 0.000 0.847 303 Q CB 0.036 28.662 28.738 -0.186 0.000 0.903 303 Q HN 0.155 nan 8.270 nan 0.000 0.433 304 V N 1.474 121.499 119.914 0.186 0.000 2.307 304 V HA -0.241 3.879 4.120 0.000 0.000 0.245 304 V C 1.495 177.670 176.094 0.135 0.000 1.045 304 V CA 1.920 64.420 62.300 0.333 0.000 1.024 304 V CB -0.442 31.551 31.823 0.283 0.000 0.651 304 V HN 0.325 nan 8.190 nan 0.000 0.449 305 D N 0.545 120.964 120.400 0.032 0.000 2.144 305 D HA -0.109 4.532 4.640 0.000 0.000 0.199 305 D C 2.224 178.502 176.300 -0.036 0.000 0.984 305 D CA 1.598 55.571 54.000 -0.046 0.000 0.834 305 D CB -0.355 40.421 40.800 -0.041 0.000 0.955 305 D HN 0.435 nan 8.370 nan 0.000 0.465 306 A N 1.069 123.890 122.820 0.003 0.000 1.902 306 A HA -0.051 4.269 4.320 0.000 0.000 0.217 306 A C 2.313 179.919 177.584 0.036 0.000 1.181 306 A CA 2.201 54.240 52.037 0.004 0.000 0.623 306 A CB -0.664 18.332 19.000 -0.007 0.000 0.818 306 A HN 0.241 nan 8.150 nan 0.000 0.443 307 A N -0.781 122.107 122.820 0.114 0.000 1.930 307 A HA 0.028 4.348 4.320 0.000 0.000 0.217 307 A C 2.100 179.748 177.584 0.107 0.000 1.175 307 A CA 1.587 53.755 52.037 0.219 0.000 0.627 307 A CB -0.535 18.795 19.000 0.550 0.000 0.815 307 A HN 0.599 nan 8.150 nan 0.000 0.443 308 L N -0.305 120.843 121.223 -0.124 0.000 2.141 308 L HA -0.101 4.239 4.340 0.000 0.000 0.209 308 L C 2.219 178.989 176.870 -0.167 0.000 1.094 308 L CA 2.440 57.057 54.840 -0.372 0.000 0.763 308 L CB -0.386 41.314 42.059 -0.599 0.000 0.908 308 L HN 0.445 nan 8.230 nan 0.000 0.437 309 E N -0.173 119.973 120.200 -0.090 0.000 2.106 309 E HA -0.127 4.223 4.350 0.000 0.000 0.192 309 E C 2.124 178.739 176.600 0.024 0.000 0.984 309 E CA 1.372 57.749 56.400 -0.037 0.000 0.806 309 E CB -0.292 29.391 29.700 -0.028 0.000 0.750 309 E HN 0.500 nan 8.360 nan 0.000 0.458 310 A N 0.452 123.298 122.820 0.042 0.000 1.933 310 A HA -0.119 4.201 4.320 0.000 0.000 0.218 310 A C 2.167 179.826 177.584 0.124 0.000 1.175 310 A CA 1.453 53.534 52.037 0.073 0.000 0.628 310 A CB -0.734 18.304 19.000 0.062 0.000 0.814 310 A HN 0.378 nan 8.150 nan 0.000 0.444 311 L N 0.918 122.225 121.223 0.139 0.000 2.083 311 L HA -0.159 4.182 4.340 0.000 0.000 0.209 311 L C 2.081 179.176 176.870 0.376 0.000 1.083 311 L CA 2.370 57.364 54.840 0.256 0.000 0.752 311 L CB -0.810 41.421 42.059 0.287 0.000 0.899 311 L HN 0.581 nan 8.230 nan 0.000 0.433 312 N N -1.003 117.836 118.700 0.230 0.000 2.142 312 N HA -0.175 4.566 4.740 0.000 0.000 0.186 312 N C 1.665 177.306 175.510 0.218 0.000 1.023 312 N CA 1.629 54.815 53.050 0.227 0.000 0.852 312 N CB 0.037 38.577 38.487 0.088 0.000 0.998 312 N HN 0.431 nan 8.380 nan 0.000 0.424 313 S N -0.040 115.756 115.700 0.160 0.000 2.382 313 S HA -0.136 4.335 4.470 0.000 0.000 0.228 313 S C 1.694 176.378 174.600 0.139 0.000 1.027 313 S CA 0.809 59.083 58.200 0.122 0.000 0.991 313 S CB -0.618 62.635 63.200 0.088 0.000 0.823 313 S HN 0.525 nan 8.310 nan 0.000 0.469 314 Y N 0.788 121.098 120.300 0.017 0.000 2.128 314 Y HA -0.216 4.334 4.550 0.000 0.000 0.284 314 Y C 1.866 177.667 175.900 -0.164 0.000 1.154 314 Y CA 1.392 59.435 58.100 -0.094 0.000 1.149 314 Y CB -0.585 37.798 38.460 -0.128 0.000 0.976 314 Y HN 0.269 nan 8.280 nan 0.000 0.505 315 W N 0.052 121.390 121.300 0.063 0.000 2.402 315 W HA -0.124 4.536 4.660 0.000 0.000 0.286 315 W C 2.545 179.013 176.519 -0.084 0.000 1.221 315 W CA 1.793 59.097 57.345 -0.068 0.000 1.257 315 W CB -0.513 28.969 29.460 0.036 0.000 1.120 315 W HN -0.069 nan 8.180 nan 0.000 0.551 316 T N -0.117 114.538 114.554 0.167 0.000 2.746 316 T HA -0.250 4.100 4.350 0.000 0.000 0.267 316 T C 1.445 176.158 174.700 0.021 0.000 1.039 316 T CA 1.769 63.924 62.100 0.093 0.000 1.142 316 T CB -0.476 68.437 68.868 0.076 0.000 0.866 316 T HN 0.128 nan 8.240 nan 0.000 0.444 317 N N 0.808 119.485 118.700 -0.039 0.000 2.142 317 N HA 0.030 4.770 4.740 0.000 0.000 0.186 317 N C 1.736 177.155 175.510 -0.150 0.000 1.023 317 N CA 0.969 53.967 53.050 -0.086 0.000 0.852 317 N CB -0.406 38.021 38.487 -0.101 0.000 0.998 317 N HN 0.317 nan 8.380 nan 0.000 0.424 318 L N -0.042 121.014 121.223 -0.277 0.000 2.046 318 L HA -0.085 4.256 4.340 0.000 0.000 0.208 318 L C 1.713 178.509 176.870 -0.124 0.000 1.077 318 L CA 0.812 55.451 54.840 -0.335 0.000 0.747 318 L CB -0.345 41.332 42.059 -0.637 0.000 0.896 318 L HN 0.248 nan 8.230 nan 0.000 0.432 319 L N -0.491 120.739 121.223 0.012 0.000 2.599 319 L HA -0.013 4.327 4.340 0.000 0.000 0.230 319 L C 2.269 179.193 176.870 0.089 0.000 1.141 319 L CA 0.332 55.228 54.840 0.092 0.000 0.877 319 L CB -0.339 41.798 42.059 0.130 0.000 1.009 319 L HN 0.299 nan 8.230 nan 0.000 0.447 320 S N -2.870 112.856 115.700 0.044 0.000 2.558 320 S HA -0.042 4.428 4.470 0.000 0.000 0.217 320 S C 1.682 176.321 174.600 0.065 0.000 0.975 320 S CA 0.463 58.691 58.200 0.047 0.000 0.912 320 S CB -0.131 63.078 63.200 0.015 0.000 0.776 320 S HN 0.264 nan 8.310 nan 0.000 0.526 321 T N 0.344 114.956 114.554 0.096 0.000 2.896 321 T HA 0.129 4.479 4.350 0.000 0.000 0.263 321 T C -0.229 174.605 174.700 0.223 0.000 1.050 321 T CA 0.800 62.984 62.100 0.140 0.000 1.140 321 T CB -0.245 68.712 68.868 0.148 0.000 0.877 321 T HN 0.635 nan 8.240 nan 0.000 0.457 322 Y N 1.538 121.937 120.300 0.164 0.000 2.361 322 Y HA 0.477 5.027 4.550 0.000 0.000 0.328 322 Y C -0.876 175.115 175.900 0.152 0.000 1.044 322 Y CA -0.943 57.250 58.100 0.155 0.000 1.085 322 Y CB 1.396 39.971 38.460 0.191 0.000 1.194 322 Y HN 0.105 nan 8.280 nan 0.000 0.438 323 S N 4.355 120.146 115.700 0.150 0.000 2.570 323 S HA 0.818 5.288 4.470 0.000 0.000 0.270 323 S C -2.161 172.488 174.600 0.082 0.000 1.149 323 S CA -0.833 57.487 58.200 0.200 0.000 0.837 323 S CB 1.715 64.987 63.200 0.119 0.000 1.124 323 S HN 0.787 nan 8.310 nan 0.000 0.465 324 V N 0.524 120.520 119.914 0.136 0.000 3.049 324 V HA 0.889 5.009 4.120 0.000 0.000 0.309 324 V C -1.176 174.974 176.094 0.093 0.000 1.148 324 V CA -0.171 62.190 62.300 0.102 0.000 0.990 324 V CB 2.251 34.138 31.823 0.106 0.000 1.039 324 V HN 1.271 nan 8.190 nan 0.000 0.430 325 S N 3.564 119.323 115.700 0.098 0.000 2.756 325 S HA 0.812 5.282 4.470 0.000 0.000 0.303 325 S C -0.499 174.170 174.600 0.116 0.000 1.135 325 S CA 0.224 58.477 58.200 0.087 0.000 1.066 325 S CB 0.985 64.225 63.200 0.066 0.000 1.008 325 S HN 1.594 nan 8.310 nan 0.000 0.482 326 S N 2.478 118.238 115.700 0.101 0.000 2.911 326 S HA 0.526 4.996 4.470 0.000 0.000 0.319 326 S C 0.864 175.517 174.600 0.088 0.000 1.154 326 S CA 0.088 58.360 58.200 0.119 0.000 0.857 326 S CB 0.585 63.843 63.200 0.095 0.000 1.279 326 S HN 0.757 nan 8.310 nan 0.000 0.593 327 T N -1.825 112.784 114.554 0.091 0.000 3.129 327 T HA 0.212 4.562 4.350 0.000 0.000 0.251 327 T C -0.065 174.689 174.700 0.090 0.000 1.117 327 T CA 0.430 62.578 62.100 0.080 0.000 1.034 327 T CB -0.476 68.438 68.868 0.078 0.000 0.968 327 T HN 0.565 nan 8.240 nan 0.000 0.526 328 D N 2.022 122.485 120.400 0.104 0.000 2.441 328 D HA 0.133 4.773 4.640 0.000 0.000 0.231 328 D C 1.099 177.450 176.300 0.086 0.000 1.073 328 D CA -0.457 53.623 54.000 0.132 0.000 0.850 328 D CB 1.477 42.422 40.800 0.242 0.000 1.062 328 D HN 0.560 nan 8.370 nan 0.000 0.524 329 E N 2.664 122.889 120.200 0.041 0.000 2.274 329 E HA -0.124 4.226 4.350 0.000 0.000 0.194 329 E C 0.893 177.449 176.600 -0.073 0.000 0.996 329 E CA 0.615 57.016 56.400 0.002 0.000 0.840 329 E CB 0.226 29.927 29.700 0.001 0.000 0.772 329 E HN 0.305 nan 8.360 nan 0.000 0.491 330 K N 0.432 120.743 120.400 -0.150 0.000 2.062 330 K HA -0.063 4.258 4.320 0.000 0.000 0.205 330 K C 2.179 178.644 176.600 -0.226 0.000 1.051 330 K CA 0.943 56.997 56.287 -0.389 0.000 0.941 330 K CB -0.138 31.854 32.500 -0.846 0.000 0.719 330 K HN 0.077 nan 8.250 nan 0.000 0.440 331 L N 1.904 123.156 121.223 0.048 0.000 2.017 331 L HA -0.185 4.155 4.340 0.000 0.000 0.208 331 L C 1.331 178.299 176.870 0.163 0.000 1.073 331 L CA 2.011 57.022 54.840 0.286 0.000 0.745 331 L CB -0.421 41.854 42.059 0.359 0.000 0.894 331 L HN 0.067 nan 8.230 nan 0.000 0.432 332 D N -0.469 119.989 120.400 0.095 0.000 2.104 332 D HA -0.234 4.406 4.640 0.000 0.000 0.194 332 D C 2.260 178.614 176.300 0.090 0.000 0.994 332 D CA 1.579 55.632 54.000 0.088 0.000 0.830 332 D CB -0.277 40.563 40.800 0.067 0.000 0.959 332 D HN 0.373 nan 8.370 nan 0.000 0.452 333 R N -0.022 120.499 120.500 0.034 0.000 2.096 333 R HA -0.161 4.179 4.340 0.000 0.000 0.240 333 R C 2.005 178.392 176.300 0.146 0.000 1.139 333 R CA 1.424 57.544 56.100 0.033 0.000 0.952 333 R CB -0.071 30.118 30.300 -0.184 0.000 0.854 333 R HN 0.072 nan 8.270 nan 0.000 0.436 334 M N 0.082 119.755 119.600 0.122 0.000 2.077 334 M HA -0.114 4.366 4.480 0.000 0.000 0.261 334 M C 2.393 178.877 176.300 0.306 0.000 1.070 334 M CA 1.256 56.699 55.300 0.239 0.000 1.125 334 M CB -0.814 31.947 32.600 0.268 0.000 1.339 334 M HN 0.086 nan 8.290 nan 0.000 0.409 335 V N 1.420 121.507 119.914 0.289 0.000 2.295 335 V HA -0.253 3.867 4.120 0.000 0.000 0.246 335 V C 2.076 178.365 176.094 0.325 0.000 1.049 335 V CA 1.691 64.190 62.300 0.331 0.000 1.024 335 V CB -0.897 31.062 31.823 0.227 0.000 0.648 335 V HN 0.447 nan 8.190 nan 0.000 0.447 336 N N -0.642 118.188 118.700 0.217 0.000 2.354 336 N HA 0.113 4.853 4.740 0.000 0.000 0.179 336 N C 1.456 177.002 175.510 0.059 0.000 1.021 336 N CA 1.179 54.327 53.050 0.164 0.000 0.887 336 N CB 0.380 38.938 38.487 0.119 0.000 0.974 336 N HN 0.481 nan 8.380 nan 0.000 0.437 337 I N -1.990 118.570 120.570 -0.016 0.000 4.021 337 I HA 0.075 4.245 4.170 0.000 0.000 0.245 337 I C 1.371 177.282 176.117 -0.342 0.000 1.093 337 I CA -0.294 60.827 61.300 -0.298 0.000 1.702 337 I CB -0.351 37.294 38.000 -0.592 0.000 1.597 337 I HN -0.089 nan 8.210 nan 0.000 0.443 338 W N 1.826 123.175 121.300 0.081 0.000 2.335 338 W HA -0.192 4.468 4.660 0.000 0.000 0.311 338 W C 2.465 179.080 176.519 0.160 0.000 1.213 338 W CA 1.198 58.623 57.345 0.134 0.000 1.274 338 W CB -0.769 28.756 29.460 0.109 0.000 1.148 338 W HN 0.204 nan 8.180 nan 0.000 0.498 339 N N 0.419 119.328 118.700 0.347 0.000 2.120 339 N HA -0.175 4.565 4.740 0.000 0.000 0.188 339 N C 1.630 177.224 175.510 0.139 0.000 1.024 339 N CA 1.636 54.887 53.050 0.335 0.000 0.852 339 N CB -0.414 38.371 38.487 0.496 0.000 1.003 339 N HN 0.347 nan 8.380 nan 0.000 0.424 340 Q N -1.257 118.544 119.800 0.001 0.000 2.119 340 Q HA -0.154 4.186 4.340 0.000 0.000 0.201 340 Q C 1.740 177.822 176.000 0.137 0.000 0.972 340 Q CA 0.997 56.729 55.803 -0.118 0.000 0.847 340 Q CB -0.204 28.457 28.738 -0.128 0.000 0.903 340 Q HN 0.564 nan 8.270 nan 0.000 0.433 341 Y N 1.466 121.760 120.300 -0.010 0.000 2.145 341 Y HA -0.304 4.246 4.550 0.000 0.000 0.286 341 Y C 2.570 178.593 175.900 0.205 0.000 1.145 341 Y CA 1.623 59.706 58.100 -0.029 0.000 1.148 341 Y CB 0.169 38.444 38.460 -0.308 0.000 0.981 341 Y HN 0.101 nan 8.280 nan 0.000 0.507 342 Q N -0.677 119.228 119.800 0.176 0.000 2.167 342 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 342 Q C 2.181 178.265 176.000 0.140 0.000 0.970 342 Q CA 1.643 57.535 55.803 0.148 0.000 0.855 342 Q CB -0.281 28.530 28.738 0.122 0.000 0.911 342 Q HN 0.610 nan 8.270 nan 0.000 0.438 343 C N -0.008 119.380 119.300 0.145 0.000 2.432 343 C HA -0.088 4.372 4.460 0.000 0.000 0.280 343 C C 2.559 177.701 174.990 0.254 0.000 1.353 343 C CA 0.690 59.806 59.018 0.164 0.000 1.766 343 C CB -0.776 27.032 27.740 0.113 0.000 1.924 343 C HN 0.672 nan 8.230 nan 0.000 0.509 344 M N 0.734 120.511 119.600 0.295 0.000 2.132 344 M HA -0.050 4.430 4.480 0.000 0.000 0.263 344 M C 1.969 178.390 176.300 0.201 0.000 1.065 344 M CA 1.947 57.481 55.300 0.389 0.000 1.122 344 M CB -0.642 32.295 32.600 0.562 0.000 1.365 344 M HN 0.132 nan 8.290 nan 0.000 0.411 345 V N 0.475 120.419 119.914 0.049 0.000 2.295 345 V HA -0.278 3.842 4.120 0.000 0.000 0.246 345 V C 2.557 178.528 176.094 -0.205 0.000 1.049 345 V CA 2.364 64.562 62.300 -0.171 0.000 1.024 345 V CB -1.723 29.910 31.823 -0.317 0.000 0.648 345 V HN 0.763 nan 8.190 nan 0.000 0.447 346 T N -1.501 113.007 114.554 -0.077 0.000 2.788 346 T HA -0.262 4.088 4.350 0.000 0.000 0.268 346 T C 1.818 176.432 174.700 -0.142 0.000 1.044 346 T CA 1.793 63.835 62.100 -0.096 0.000 1.139 346 T CB -0.678 68.184 68.868 -0.009 0.000 0.867 346 T HN 0.384 nan 8.240 nan 0.000 0.454 347 F N 3.203 122.998 119.950 -0.259 0.000 2.095 347 F HA -0.071 4.457 4.527 0.000 0.000 0.298 347 F C 2.093 177.659 175.800 -0.390 0.000 1.104 347 F CA 1.491 59.229 58.000 -0.437 0.000 1.232 347 F CB -0.481 37.962 39.000 -0.928 0.000 0.987 347 F HN 0.075 nan 8.300 nan 0.000 0.475 348 N N -0.254 118.265 118.700 -0.302 0.000 2.250 348 N HA -0.079 4.661 4.740 0.000 0.000 0.181 348 N C 1.731 176.917 175.510 -0.540 0.000 1.017 348 N CA 1.469 54.278 53.050 -0.402 0.000 0.866 348 N CB -0.174 38.175 38.487 -0.230 0.000 0.985 348 N HN 0.329 nan 8.380 nan 0.000 0.429 349 M N -0.212 119.097 119.600 -0.485 0.000 2.516 349 M HA 0.146 4.627 4.480 0.000 0.000 0.259 349 M C 1.210 177.325 176.300 -0.309 0.000 1.146 349 M CA 0.055 55.108 55.300 -0.412 0.000 1.122 349 M CB -0.585 31.766 32.600 -0.416 0.000 1.341 349 M HN -0.019 nan 8.290 nan 0.000 0.478 350 S N 1.070 116.589 115.700 -0.303 0.000 4.140 350 S HA -0.228 4.242 4.470 0.000 0.000 0.618 350 S C 0.747 175.247 174.600 -0.167 0.000 1.896 350 S CA 1.842 59.890 58.200 -0.253 0.000 4.240 350 S CB -0.448 62.567 63.200 -0.309 0.000 0.208 350 S HN 0.563 nan 8.310 nan 0.000 0.487 351 R N 0.910 121.320 120.500 -0.151 0.000 2.659 351 R HA 0.322 4.662 4.340 0.000 0.000 0.418 351 R C 1.416 177.675 176.300 -0.068 0.000 1.076 351 R CA 0.759 56.811 56.100 -0.079 0.000 1.093 351 R CB 0.065 30.323 30.300 -0.070 0.000 1.400 351 R HN 0.594 nan 8.270 nan 0.000 0.583 352 S N 0.165 115.803 115.700 -0.103 0.000 2.336 352 S HA 0.175 4.645 4.470 0.000 0.000 0.216 352 S C 1.022 175.601 174.600 -0.034 0.000 1.032 352 S CA 0.544 58.683 58.200 -0.101 0.000 0.973 352 S CB 0.207 63.302 63.200 -0.175 0.000 0.888 352 S HN 0.207 nan 8.310 nan 0.000 0.455 353 A N 1.022 123.849 122.820 0.012 0.000 2.353 353 A HA 0.777 5.097 4.320 0.000 0.000 0.299 353 A C -0.021 177.734 177.584 0.285 0.000 1.089 353 A CA -0.235 51.888 52.037 0.144 0.000 0.736 353 A CB 1.437 20.468 19.000 0.052 0.000 1.195 353 A HN 0.864 nan 8.150 nan 0.000 0.447 354 S N 0.827 116.754 115.700 0.379 0.000 3.121 354 S HA 0.705 5.175 4.470 0.000 0.000 0.324 354 S C -0.462 174.519 174.600 0.636 0.000 1.192 354 S CA -0.308 58.152 58.200 0.433 0.000 0.937 354 S CB 0.251 63.743 63.200 0.487 0.000 1.336 354 S HN 0.464 nan 8.310 nan 0.000 0.664 355 F N 0.427 120.543 119.950 0.277 0.000 2.732 355 F HA 0.524 5.052 4.527 0.000 0.000 0.303 355 F C 0.473 176.301 175.800 0.046 0.000 1.110 355 F CA -1.073 57.033 58.000 0.176 0.000 1.355 355 F CB -0.649 38.359 39.000 0.014 0.000 1.081 355 F HN 0.446 nan 8.300 nan 0.000 0.565 356 F N -1.144 119.130 119.950 0.541 0.000 2.496 356 F HA 0.189 4.716 4.527 0.000 0.000 0.274 356 F C 0.907 176.799 175.800 0.152 0.000 0.924 356 F CA -0.176 58.014 58.000 0.317 0.000 1.147 356 F CB -0.065 39.070 39.000 0.225 0.000 0.969 356 F HN -0.431 nan 8.300 nan 0.000 0.749 357 E N 1.495 121.898 120.200 0.337 0.000 2.259 357 E HA 0.133 4.483 4.350 0.000 0.000 0.281 357 E C 0.801 177.417 176.600 0.027 0.000 1.037 357 E CA 0.321 56.801 56.400 0.133 0.000 0.854 357 E CB 1.091 30.870 29.700 0.131 0.000 1.051 357 E HN 0.242 nan 8.360 nan 0.000 0.409 358 T N -0.597 113.826 114.554 -0.219 0.000 3.215 358 T HA 0.125 4.475 4.350 0.000 0.000 0.254 358 T C 1.253 175.887 174.700 -0.110 0.000 1.149 358 T CA 0.147 61.968 62.100 -0.465 0.000 1.042 358 T CB -0.163 68.316 68.868 -0.647 0.000 0.966 358 T HN 0.667 nan 8.240 nan 0.000 0.534 359 G N 1.037 109.818 108.800 -0.031 0.000 2.283 359 G HA2 -0.219 3.741 3.960 0.000 0.000 0.280 359 G HA3 -0.219 3.741 3.960 0.000 0.000 0.280 359 G C 0.440 175.283 174.900 -0.096 0.000 1.029 359 G CA 0.501 45.565 45.100 -0.061 0.000 0.840 359 G HN 0.515 nan 8.290 nan 0.000 0.505 360 I N -0.814 119.701 120.570 -0.091 0.000 3.818 360 I HA 0.223 4.393 4.170 0.000 0.000 0.242 360 I C 2.664 178.743 176.117 -0.063 0.000 1.111 360 I CA 1.455 62.709 61.300 -0.076 0.000 1.576 360 I CB -1.347 36.607 38.000 -0.077 0.000 1.572 360 I HN 0.129 nan 8.210 nan 0.000 0.450 361 G N 1.977 110.743 108.800 -0.056 0.000 2.511 361 G HA2 -0.054 3.906 3.960 0.000 0.000 0.217 361 G HA3 -0.054 3.906 3.960 0.000 0.000 0.217 361 G C 0.890 175.764 174.900 -0.043 0.000 1.133 361 G CA -0.028 45.049 45.100 -0.037 0.000 0.792 361 G HN 0.240 nan 8.290 nan 0.000 0.539 362 R N 0.240 120.702 120.500 -0.063 0.000 2.265 362 R HA 0.517 4.857 4.340 0.000 0.000 0.319 362 R C 0.602 176.828 176.300 -0.123 0.000 1.006 362 R CA -0.019 56.030 56.100 -0.085 0.000 0.880 362 R CB 1.755 32.007 30.300 -0.081 0.000 1.077 362 R HN 0.155 nan 8.270 nan 0.000 0.454 363 G N 1.878 110.587 108.800 -0.152 0.000 3.441 363 G HA2 0.238 4.198 3.960 0.000 0.000 0.195 363 G HA3 0.238 4.198 3.960 0.000 0.000 0.195 363 G C -0.698 174.017 174.900 -0.308 0.000 1.633 363 G CA -0.453 44.526 45.100 -0.202 0.000 0.895 363 G HN 0.352 nan 8.290 nan 0.000 0.654 364 M N 1.903 121.210 119.600 -0.489 0.000 2.047 364 M HA 0.506 4.986 4.480 0.000 0.000 0.342 364 M C 0.448 176.403 176.300 -0.574 0.000 1.058 364 M CA -0.135 54.767 55.300 -0.663 0.000 0.991 364 M CB 1.181 33.074 32.600 -1.178 0.000 1.474 364 M HN 0.411 nan 8.290 nan 0.000 0.419 365 G N 2.246 110.809 108.800 -0.396 0.000 2.441 365 G HA2 0.140 4.100 3.960 0.000 0.000 0.243 365 G HA3 0.140 4.100 3.960 0.000 0.000 0.243 365 G C 0.326 175.081 174.900 -0.243 0.000 1.281 365 G CA -0.368 44.526 45.100 -0.343 0.000 0.854 365 G HN 0.811 nan 8.290 nan 0.000 0.560 366 F N 2.036 121.831 119.950 -0.260 0.000 2.075 366 F HA -0.097 4.430 4.527 0.000 0.000 0.297 366 F C 2.757 178.517 175.800 -0.066 0.000 1.113 366 F CA 2.081 60.031 58.000 -0.083 0.000 1.218 366 F CB 0.071 39.099 39.000 0.046 0.000 0.984 366 F HN 0.520 nan 8.300 nan 0.000 0.472 367 R N 0.434 120.993 120.500 0.099 0.000 2.081 367 R HA -0.166 4.174 4.340 0.000 0.000 0.235 367 R C 1.891 178.040 176.300 -0.252 0.000 1.131 367 R CA 2.126 58.180 56.100 -0.075 0.000 0.960 367 R CB -0.744 29.527 30.300 -0.047 0.000 0.856 367 R HN 0.314 nan 8.270 nan 0.000 0.436 368 D N 0.089 120.364 120.400 -0.209 0.000 2.097 368 D HA -0.102 4.538 4.640 0.000 0.000 0.195 368 D C 1.936 178.138 176.300 -0.164 0.000 0.989 368 D CA 1.537 55.444 54.000 -0.156 0.000 0.827 368 D CB -0.200 40.498 40.800 -0.171 0.000 0.966 368 D HN 0.210 nan 8.370 nan 0.000 0.456 369 S N 0.737 116.301 115.700 -0.228 0.000 2.402 369 S HA -0.073 4.398 4.470 0.000 0.000 0.229 369 S C 1.693 176.192 174.600 -0.168 0.000 1.021 369 S CA 0.431 58.490 58.200 -0.236 0.000 0.974 369 S CB -0.036 62.973 63.200 -0.318 0.000 0.800 369 S HN 0.227 nan 8.310 nan 0.000 0.484 370 N N 1.564 120.148 118.700 -0.192 0.000 2.106 370 N HA -0.057 4.684 4.740 0.000 0.000 0.188 370 N C 1.832 177.326 175.510 -0.027 0.000 1.029 370 N CA 1.006 53.990 53.050 -0.111 0.000 0.848 370 N CB -0.286 38.151 38.487 -0.084 0.000 1.007 370 N HN 0.521 nan 8.380 nan 0.000 0.423 371 Q N 0.427 120.183 119.800 -0.072 0.000 2.119 371 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 371 Q C 1.005 176.967 176.000 -0.064 0.000 0.972 371 Q CA 0.912 56.688 55.803 -0.046 0.000 0.847 371 Q CB 0.027 28.768 28.738 0.005 0.000 0.903 371 Q HN 0.278 nan 8.270 nan 0.000 0.433 372 D N 0.689 121.072 120.400 -0.029 0.000 2.218 372 D HA -0.127 4.513 4.640 0.000 0.000 0.204 372 D C 1.768 178.137 176.300 0.116 0.000 0.976 372 D CA 0.810 54.823 54.000 0.022 0.000 0.853 372 D CB -0.044 40.754 40.800 -0.002 0.000 0.939 372 D HN 0.239 nan 8.370 nan 0.000 0.481 373 L N 0.220 121.515 121.223 0.120 0.000 2.131 373 L HA -0.136 4.204 4.340 0.000 0.000 0.210 373 L C 2.397 179.365 176.870 0.163 0.000 1.092 373 L CA 0.506 55.470 54.840 0.207 0.000 0.759 373 L CB -0.328 41.828 42.059 0.161 0.000 0.903 373 L HN 0.077 nan 8.230 nan 0.000 0.435 374 L N -0.507 120.743 121.223 0.045 0.000 2.127 374 L HA -0.147 4.193 4.340 0.000 0.000 0.211 374 L C 2.141 179.042 176.870 0.050 0.000 1.089 374 L CA 1.363 56.189 54.840 -0.024 0.000 0.757 374 L CB -0.868 41.027 42.059 -0.273 0.000 0.899 374 L HN 0.338 nan 8.230 nan 0.000 0.434 375 G N -2.299 106.563 108.800 0.103 0.000 3.277 375 G HA2 -0.011 3.949 3.960 0.000 0.000 0.243 375 G HA3 -0.011 3.949 3.960 0.000 0.000 0.243 375 G C 0.877 175.946 174.900 0.283 0.000 1.107 375 G CA -0.232 45.007 45.100 0.231 0.000 0.771 375 G HN 0.280 nan 8.290 nan 0.000 0.544 376 F N 0.848 120.835 119.950 0.063 0.000 2.740 376 F HA 0.124 4.651 4.527 0.000 0.000 0.304 376 F C 2.207 177.909 175.800 -0.163 0.000 1.098 376 F CA 0.553 58.484 58.000 -0.116 0.000 1.258 376 F CB 0.367 39.257 39.000 -0.184 0.000 1.061 376 F HN -0.011 nan 8.300 nan 0.000 0.598 377 V N -0.053 119.887 119.914 0.044 0.000 2.546 377 V HA -0.313 3.807 4.120 0.000 0.000 0.254 377 V C 2.538 178.542 176.094 -0.150 0.000 1.076 377 V CA 2.488 64.783 62.300 -0.009 0.000 1.087 377 V CB -1.558 30.339 31.823 0.123 0.000 0.674 377 V HN 0.643 nan 8.190 nan 0.000 0.470 378 H N -0.255 118.696 119.070 -0.198 0.000 2.512 378 H HA 0.143 4.700 4.556 0.000 0.000 0.279 378 H C 1.920 177.082 175.328 -0.277 0.000 0.999 378 H CA 1.273 57.223 56.048 -0.164 0.000 1.283 378 H CB -0.317 29.433 29.762 -0.019 0.000 1.421 378 H HN 0.469 nan 8.280 nan 0.000 0.554 379 L N 0.520 121.042 121.223 -1.168 0.000 1.982 379 L HA 0.098 4.438 4.340 0.000 0.000 0.206 379 L C 0.949 177.361 176.870 -0.762 0.000 1.078 379 L CA 1.110 55.331 54.840 -1.032 0.000 0.749 379 L CB 0.039 41.349 42.059 -1.247 0.000 0.894 379 L HN 0.106 nan 8.230 nan 0.000 0.436 380 I N 0.261 120.260 120.570 -0.950 0.000 2.782 380 I HA 0.142 4.312 4.170 0.000 0.000 0.279 380 I C -1.638 174.298 176.117 -0.301 0.000 1.247 380 I CA -1.212 59.789 61.300 -0.497 0.000 1.062 380 I CB 1.477 39.285 38.000 -0.319 0.000 1.421 380 I HN -0.052 nan 8.210 nan 0.000 0.558 381 P HA -0.223 nan 4.420 nan 0.000 0.217 381 P C 0.924 178.327 177.300 0.171 0.000 1.151 381 P CA 1.699 64.819 63.100 0.033 0.000 0.849 381 P CB 0.411 32.103 31.700 -0.013 0.000 0.787 382 E N 0.218 120.471 120.200 0.089 0.000 2.077 382 E HA -0.144 4.206 4.350 0.000 0.000 0.193 382 E C 2.288 178.956 176.600 0.113 0.000 0.989 382 E CA 1.146 57.609 56.400 0.105 0.000 0.800 382 E CB -0.709 29.030 29.700 0.065 0.000 0.746 382 E HN 0.320 nan 8.360 nan 0.000 0.452 383 R N 0.323 120.904 120.500 0.135 0.000 2.115 383 R HA 0.080 4.420 4.340 0.000 0.000 0.226 383 R C 2.276 178.748 176.300 0.287 0.000 1.100 383 R CA 0.975 57.208 56.100 0.221 0.000 0.980 383 R CB -0.266 30.193 30.300 0.265 0.000 0.875 383 R HN 0.187 nan 8.270 nan 0.000 0.445 384 A N 1.291 124.258 122.820 0.245 0.000 1.898 384 A HA -0.164 4.156 4.320 0.000 0.000 0.216 384 A C 2.130 179.730 177.584 0.027 0.000 1.181 384 A CA 1.114 53.303 52.037 0.254 0.000 0.620 384 A CB -0.410 18.770 19.000 0.299 0.000 0.819 384 A HN 0.199 nan 8.150 nan 0.000 0.442 385 R N -0.222 120.214 120.500 -0.107 0.000 2.083 385 R HA -0.191 4.149 4.340 0.000 0.000 0.237 385 R C 2.209 178.407 176.300 -0.169 0.000 1.137 385 R CA 1.884 57.752 56.100 -0.386 0.000 0.951 385 R CB -0.299 29.866 30.300 -0.225 0.000 0.851 385 R HN 0.710 nan 8.270 nan 0.000 0.434 386 E N -0.162 120.020 120.200 -0.029 0.000 2.150 386 E HA -0.243 4.107 4.350 0.000 0.000 0.193 386 E C 2.018 178.615 176.600 -0.005 0.000 0.985 386 E CA 0.925 57.321 56.400 -0.007 0.000 0.814 386 E CB 0.033 29.758 29.700 0.042 0.000 0.752 386 E HN 0.083 nan 8.360 nan 0.000 0.466 387 R N 1.036 121.569 120.500 0.054 0.000 2.075 387 R HA -0.065 4.275 4.340 0.000 0.000 0.232 387 R C 2.129 178.412 176.300 -0.029 0.000 1.126 387 R CA 1.420 57.542 56.100 0.037 0.000 0.963 387 R CB -0.671 29.712 30.300 0.139 0.000 0.858 387 R HN 0.274 nan 8.270 nan 0.000 0.435 388 I N 0.335 120.864 120.570 -0.068 0.000 2.208 388 I HA -0.289 3.882 4.170 0.000 0.000 0.245 388 I C 1.728 177.774 176.117 -0.119 0.000 1.097 388 I CA 0.977 62.208 61.300 -0.115 0.000 1.363 388 I CB -0.312 37.574 38.000 -0.190 0.000 1.051 388 I HN 0.143 nan 8.210 nan 0.000 0.413 389 I N 0.585 121.081 120.570 -0.123 0.000 2.226 389 I HA -0.270 3.900 4.170 0.000 0.000 0.245 389 I C 2.163 178.206 176.117 -0.124 0.000 1.100 389 I CA 1.668 62.889 61.300 -0.131 0.000 1.374 389 I CB -1.410 36.525 38.000 -0.108 0.000 1.057 389 I HN 0.253 nan 8.210 nan 0.000 0.413 390 D N 0.881 121.217 120.400 -0.107 0.000 2.117 390 D HA -0.112 4.528 4.640 0.000 0.000 0.197 390 D C 2.403 178.633 176.300 -0.116 0.000 0.987 390 D CA 1.064 54.970 54.000 -0.157 0.000 0.829 390 D CB -0.117 40.581 40.800 -0.170 0.000 0.961 390 D HN 0.305 nan 8.370 nan 0.000 0.460 391 I N 1.154 121.721 120.570 -0.004 0.000 2.142 391 I HA -0.254 3.916 4.170 0.000 0.000 0.240 391 I C 2.410 178.613 176.117 0.143 0.000 1.078 391 I CA 1.138 62.487 61.300 0.082 0.000 1.343 391 I CB -0.265 37.657 38.000 -0.130 0.000 1.046 391 I HN -0.072 nan 8.210 nan 0.000 0.405 392 A N -0.189 122.647 122.820 0.028 0.000 2.070 392 A HA -0.157 4.164 4.320 0.000 0.000 0.220 392 A C 2.359 179.943 177.584 -0.001 0.000 1.159 392 A CA 1.771 53.829 52.037 0.035 0.000 0.656 392 A CB -0.551 18.316 19.000 -0.221 0.000 0.800 392 A HN 0.397 nan 8.150 nan 0.000 0.453 393 S N -0.404 115.267 115.700 -0.048 0.000 2.515 393 S HA -0.062 4.408 4.470 0.000 0.000 0.231 393 S C 1.670 176.295 174.600 0.042 0.000 0.987 393 S CA 1.401 59.579 58.200 -0.038 0.000 0.936 393 S CB -0.311 62.832 63.200 -0.094 0.000 0.766 393 S HN 0.874 nan 8.310 nan 0.000 0.528 394 T N -0.842 113.770 114.554 0.096 0.000 3.186 394 T HA 0.271 4.621 4.350 0.000 0.000 0.257 394 T C 0.133 174.826 174.700 -0.012 0.000 1.029 394 T CA -0.391 61.774 62.100 0.109 0.000 0.916 394 T CB 0.029 69.027 68.868 0.216 0.000 1.041 394 T HN 0.244 nan 8.240 nan 0.000 0.562 395 Q N 0.351 120.192 119.800 0.069 0.000 2.227 395 Q HA 0.544 4.884 4.340 0.000 0.000 0.245 395 Q C -1.201 174.804 176.000 0.007 0.000 0.926 395 Q CA -0.905 54.901 55.803 0.005 0.000 0.895 395 Q CB 0.728 29.682 28.738 0.359 0.000 1.230 395 Q HN 0.348 nan 8.270 nan 0.000 0.450 396 F N 0.334 120.367 119.950 0.139 0.000 2.399 396 F HA 0.372 4.900 4.527 0.000 0.000 0.328 396 F C 1.085 176.724 175.800 -0.268 0.000 1.084 396 F CA -0.271 57.727 58.000 -0.003 0.000 1.053 396 F CB 1.014 39.940 39.000 -0.124 0.000 1.209 396 F HN 0.798 nan 8.300 nan 0.000 0.502 397 A N 0.848 123.387 122.820 -0.469 0.000 2.032 397 A HA -0.204 4.116 4.320 0.000 0.000 0.221 397 A C 1.710 178.993 177.584 -0.501 0.000 1.165 397 A CA 1.988 53.331 52.037 -1.157 0.000 0.645 397 A CB -0.913 17.623 19.000 -0.773 0.000 0.807 397 A HN 0.778 nan 8.150 nan 0.000 0.453 398 D N -2.376 117.920 120.400 -0.174 0.000 2.328 398 D HA 0.278 4.919 4.640 0.000 0.000 0.226 398 D C 1.177 177.552 176.300 0.125 0.000 1.066 398 D CA 1.158 55.145 54.000 -0.022 0.000 0.861 398 D CB -0.255 40.556 40.800 0.019 0.000 0.912 398 D HN 0.699 nan 8.370 nan 0.000 0.521 399 G N 0.460 109.301 108.800 0.069 0.000 2.399 399 G HA2 -0.302 3.659 3.960 0.000 0.000 0.216 399 G HA3 -0.302 3.659 3.960 0.000 0.000 0.216 399 G C 0.566 175.408 174.900 -0.097 0.000 1.096 399 G CA 0.343 45.498 45.100 0.091 0.000 0.650 399 G HN 0.808 nan 8.290 nan 0.000 0.512 400 S N 0.645 116.226 115.700 -0.198 0.000 2.617 400 S HA 0.798 5.269 4.470 0.000 0.000 0.255 400 S C 0.327 174.861 174.600 -0.109 0.000 1.318 400 S CA 1.114 59.102 58.200 -0.353 0.000 0.978 400 S CB 1.748 64.801 63.200 -0.245 0.000 0.961 400 S HN 2.328 nan 8.310 nan 0.000 0.582 401 A N -0.501 122.193 122.820 -0.210 0.000 2.599 401 A HA 0.607 4.927 4.320 0.000 0.000 0.290 401 A C -1.583 175.848 177.584 -0.255 0.000 1.101 401 A CA -0.919 50.850 52.037 -0.446 0.000 0.674 401 A CB 0.065 18.559 19.000 -0.844 0.000 1.277 401 A HN 0.710 nan 8.150 nan 0.000 0.419 402 Y N 0.729 120.867 120.300 -0.271 0.000 2.497 402 Y HA 0.098 4.648 4.550 0.000 0.000 0.334 402 Y C 1.876 177.832 175.900 0.093 0.000 1.199 402 Y CA 1.273 59.393 58.100 0.033 0.000 1.425 402 Y CB 0.381 38.859 38.460 0.030 0.000 1.291 402 Y HN 0.871 nan 8.280 nan 0.000 0.562 403 H N 1.561 120.788 119.070 0.261 0.000 2.524 403 H HA -0.024 4.532 4.556 0.000 0.000 0.282 403 H C -0.147 175.251 175.328 0.116 0.000 1.016 403 H CA 0.863 56.992 56.048 0.134 0.000 1.270 403 H CB 0.682 30.486 29.762 0.069 0.000 1.394 403 H HN 0.790 nan 8.280 nan 0.000 0.568 404 Q N -0.912 118.991 119.800 0.171 0.000 2.756 404 Q HA 0.244 4.584 4.340 0.000 0.000 0.295 404 Q C -1.922 174.117 176.000 0.064 0.000 0.903 404 Q CA -1.163 54.637 55.803 -0.005 0.000 0.768 404 Q CB 1.308 29.973 28.738 -0.122 0.000 1.472 404 Q HN 0.141 nan 8.270 nan 0.000 0.416 405 Y N -1.386 118.886 120.300 -0.047 0.000 2.553 405 Y HA 0.625 5.175 4.550 0.000 0.000 0.347 405 Y C -0.991 174.848 175.900 -0.101 0.000 1.019 405 Y CA -1.385 56.658 58.100 -0.095 0.000 1.032 405 Y CB 1.658 40.072 38.460 -0.077 0.000 1.284 405 Y HN 0.756 nan 8.280 nan 0.000 0.466 406 Q N 4.563 124.475 119.800 0.186 0.000 2.281 406 Q HA 0.317 4.657 4.340 0.000 0.000 0.267 406 Q C -2.089 174.019 176.000 0.181 0.000 1.053 406 Q CA -1.704 54.156 55.803 0.096 0.000 0.905 406 Q CB 1.219 29.974 28.738 0.029 0.000 1.195 406 Q HN 0.528 nan 8.270 nan 0.000 0.398 407 P HA -0.261 nan 4.420 nan 0.000 0.217 407 P C 0.844 178.175 177.300 0.051 0.000 1.162 407 P CA 0.999 64.150 63.100 0.085 0.000 0.901 407 P CB 0.064 31.747 31.700 -0.028 0.000 0.793 408 L N -0.789 120.440 121.223 0.010 0.000 2.042 408 L HA -0.155 4.185 4.340 0.000 0.000 0.210 408 L C 2.106 178.969 176.870 -0.012 0.000 1.076 408 L CA 2.740 57.574 54.840 -0.011 0.000 0.749 408 L CB -1.543 40.516 42.059 -0.001 0.000 0.893 408 L HN 0.117 nan 8.230 nan 0.000 0.432 409 T N -5.646 108.903 114.554 -0.008 0.000 3.014 409 T HA 0.086 4.436 4.350 0.000 0.000 0.250 409 T C 0.952 175.594 174.700 -0.097 0.000 1.060 409 T CA 0.224 62.303 62.100 -0.036 0.000 1.040 409 T CB -0.095 68.756 68.868 -0.027 0.000 0.971 409 T HN 0.320 nan 8.240 nan 0.000 0.497 410 K N 0.982 121.308 120.400 -0.124 0.000 3.129 410 K HA -0.137 4.183 4.320 0.000 0.000 0.273 410 K C -0.571 175.769 176.600 -0.434 0.000 1.123 410 K CA 0.379 56.387 56.287 -0.465 0.000 0.800 410 K CB -1.103 31.139 32.500 -0.431 0.000 1.238 410 K HN 0.474 nan 8.250 nan 0.000 0.492 411 R N 0.227 120.617 120.500 -0.183 0.000 2.494 411 R HA 0.356 4.696 4.340 0.000 0.000 0.305 411 R C 0.614 176.830 176.300 -0.141 0.000 0.959 411 R CA -0.317 55.693 56.100 -0.150 0.000 0.864 411 R CB 1.738 31.974 30.300 -0.107 0.000 1.159 411 R HN 0.189 nan 8.270 nan 0.000 0.446 412 G N 1.514 110.139 108.800 -0.290 0.000 2.636 412 G HA2 0.176 4.136 3.960 0.000 0.000 0.246 412 G HA3 0.176 4.136 3.960 0.000 0.000 0.246 412 G C -0.143 174.121 174.900 -1.060 0.000 1.216 412 G CA -0.232 44.502 45.100 -0.609 0.000 0.854 412 G HN 0.780 nan 8.290 nan 0.000 0.572 413 N N -1.794 116.506 118.700 -0.666 0.000 2.823 413 N HA 0.187 4.927 4.740 0.000 0.000 0.251 413 N C -0.424 175.205 175.510 0.198 0.000 1.392 413 N CA -0.948 51.955 53.050 -0.245 0.000 0.864 413 N CB 0.974 39.405 38.487 -0.095 0.000 1.481 413 N HN 0.202 nan 8.380 nan 0.000 0.508 414 N N -0.246 118.617 118.700 0.270 0.000 2.235 414 N HA 0.049 4.790 4.740 0.000 0.000 0.209 414 N C -0.399 175.228 175.510 0.195 0.000 1.122 414 N CA 0.002 53.228 53.050 0.294 0.000 0.845 414 N CB 0.089 38.741 38.487 0.274 0.000 1.004 414 N HN 0.547 nan 8.380 nan 0.000 0.499 415 D N 1.172 121.653 120.400 0.136 0.000 2.220 415 D HA -0.162 4.478 4.640 0.000 0.000 0.198 415 D C 1.460 177.827 176.300 0.111 0.000 1.001 415 D CA 1.042 55.099 54.000 0.096 0.000 0.875 415 D CB 0.080 40.912 40.800 0.054 0.000 0.921 415 D HN 0.587 nan 8.370 nan 0.000 0.454 416 I N -4.463 116.203 120.570 0.160 0.000 3.569 416 I HA 0.550 4.721 4.170 0.000 0.000 0.334 416 I C 0.529 176.828 176.117 0.304 0.000 1.570 416 I CA -0.360 61.052 61.300 0.187 0.000 1.082 416 I CB 0.510 38.598 38.000 0.146 0.000 1.323 416 I HN -0.046 nan 8.210 nan 0.000 0.489 417 G N 0.856 109.832 108.800 0.294 0.000 2.541 417 G HA2 0.129 4.089 3.960 0.000 0.000 0.686 417 G HA3 0.129 4.089 3.960 0.000 0.000 0.686 417 G C -0.997 174.156 174.900 0.422 0.000 1.286 417 G CA -0.098 45.210 45.100 0.346 0.000 0.894 417 G HN 0.564 nan 8.290 nan 0.000 0.575 418 S N -1.744 114.079 115.700 0.206 0.000 2.643 418 S HA 0.790 5.261 4.470 0.000 0.000 0.270 418 S C 0.809 175.311 174.600 -0.163 0.000 1.166 418 S CA 1.151 59.447 58.200 0.160 0.000 0.815 418 S CB 0.965 64.237 63.200 0.121 0.000 1.139 418 S HN 2.933 nan 8.310 nan 0.000 0.472 419 G N 1.191 109.970 108.800 -0.035 0.000 2.295 419 G HA2 -0.217 3.744 3.960 0.000 0.000 0.287 419 G HA3 -0.217 3.744 3.960 0.000 0.000 0.287 419 G C -0.320 174.456 174.900 -0.207 0.000 1.055 419 G CA 0.333 45.364 45.100 -0.115 0.000 0.922 419 G HN 0.559 nan 8.290 nan 0.000 0.503 420 F N 0.382 120.270 119.950 -0.103 0.000 2.413 420 F HA 0.338 4.865 4.527 0.000 0.000 0.359 420 F C 1.357 177.164 175.800 0.012 0.000 1.122 420 F CA -0.991 56.974 58.000 -0.059 0.000 1.160 420 F CB 0.933 39.859 39.000 -0.123 0.000 1.146 420 F HN -0.039 nan 8.300 nan 0.000 0.514 421 N N 1.868 120.670 118.700 0.170 0.000 2.585 421 N HA -0.154 4.586 4.740 0.000 0.000 0.188 421 N C 1.405 177.032 175.510 0.194 0.000 1.102 421 N CA 0.831 53.986 53.050 0.175 0.000 0.920 421 N CB -0.235 38.394 38.487 0.236 0.000 0.963 421 N HN 0.627 nan 8.380 nan 0.000 0.447 422 D N -0.833 119.738 120.400 0.285 0.000 2.327 422 D HA -0.049 4.591 4.640 0.000 0.000 0.205 422 D C 0.703 177.202 176.300 0.332 0.000 0.989 422 D CA 0.173 54.355 54.000 0.303 0.000 0.873 422 D CB -0.092 41.014 40.800 0.509 0.000 0.955 422 D HN -0.069 nan 8.370 nan 0.000 0.515 423 D N 2.089 122.752 120.400 0.438 0.000 2.106 423 D HA -0.124 4.516 4.640 0.000 0.000 0.191 423 D C -0.640 175.946 176.300 0.476 0.000 0.997 423 D CA 1.350 55.691 54.000 0.567 0.000 0.834 423 D CB -1.378 39.605 40.800 0.304 0.000 0.956 423 D HN 0.257 nan 8.370 nan 0.000 0.448 424 P HA -0.135 nan 4.420 nan 0.000 0.215 424 P C 1.769 179.219 177.300 0.251 0.000 1.163 424 P CA 0.970 64.149 63.100 0.132 0.000 0.894 424 P CB -0.118 31.527 31.700 -0.091 0.000 0.791 425 L N -3.249 118.059 121.223 0.142 0.000 2.265 425 L HA -0.127 4.213 4.340 0.000 0.000 0.215 425 L C 2.308 179.184 176.870 0.010 0.000 1.117 425 L CA 1.213 56.101 54.840 0.079 0.000 0.782 425 L CB -0.900 41.174 42.059 0.025 0.000 0.914 425 L HN 0.080 nan 8.230 nan 0.000 0.441 426 W N -0.454 120.983 121.300 0.228 0.000 2.392 426 W HA -0.188 4.472 4.660 0.000 0.000 0.279 426 W C 2.289 178.816 176.519 0.013 0.000 1.225 426 W CA -0.127 57.285 57.345 0.112 0.000 1.233 426 W CB -0.084 29.513 29.460 0.229 0.000 1.122 426 W HN 0.116 nan 8.180 nan 0.000 0.561 427 L N 0.408 121.820 121.223 0.314 0.000 2.093 427 L HA -0.130 4.211 4.340 0.000 0.000 0.208 427 L C 1.951 178.901 176.870 0.133 0.000 1.085 427 L CA 1.817 56.763 54.840 0.176 0.000 0.755 427 L CB -0.708 41.535 42.059 0.307 0.000 0.904 427 L HN 0.010 nan 8.230 nan 0.000 0.435 428 I N -0.684 119.966 120.570 0.134 0.000 2.315 428 I HA -0.255 3.915 4.170 0.000 0.000 0.248 428 I C 2.541 178.680 176.117 0.036 0.000 1.117 428 I CA 0.994 62.376 61.300 0.136 0.000 1.404 428 I CB -0.625 37.495 38.000 0.200 0.000 1.071 428 I HN 0.333 nan 8.210 nan 0.000 0.419 429 A N 1.019 123.704 122.820 -0.225 0.000 1.877 429 A HA -0.123 4.197 4.320 0.000 0.000 0.216 429 A C 2.441 180.029 177.584 0.006 0.000 1.186 429 A CA 1.936 53.738 52.037 -0.392 0.000 0.620 429 A CB -1.380 17.183 19.000 -0.729 0.000 0.822 429 A HN 0.446 nan 8.150 nan 0.000 0.443 430 G N -0.841 107.995 108.800 0.059 0.000 2.408 430 G HA2 -0.037 3.923 3.960 0.000 0.000 0.217 430 G HA3 -0.037 3.923 3.960 0.000 0.000 0.217 430 G C 1.468 176.440 174.900 0.119 0.000 1.150 430 G CA 1.167 46.319 45.100 0.087 0.000 0.776 430 G HN 0.314 nan 8.290 nan 0.000 0.542 431 V N 1.405 121.389 119.914 0.118 0.000 2.379 431 V HA -0.058 4.062 4.120 0.000 0.000 0.245 431 V C 3.291 179.505 176.094 0.200 0.000 1.044 431 V CA 1.846 64.240 62.300 0.156 0.000 1.036 431 V CB -0.689 31.225 31.823 0.151 0.000 0.664 431 V HN 0.450 nan 8.190 nan 0.000 0.453 432 A N 0.193 123.130 122.820 0.195 0.000 1.902 432 A HA -0.135 4.185 4.320 0.000 0.000 0.217 432 A C 2.428 180.082 177.584 0.115 0.000 1.181 432 A CA 2.130 54.299 52.037 0.220 0.000 0.623 432 A CB -0.811 18.364 19.000 0.292 0.000 0.818 432 A HN 0.562 nan 8.150 nan 0.000 0.443 433 A N -1.561 121.331 122.820 0.120 0.000 1.933 433 A HA -0.127 4.193 4.320 0.000 0.000 0.218 433 A C 2.154 179.771 177.584 0.056 0.000 1.175 433 A CA 1.680 53.760 52.037 0.072 0.000 0.628 433 A CB -0.793 18.265 19.000 0.097 0.000 0.814 433 A HN 0.791 nan 8.150 nan 0.000 0.444 434 Y N 0.463 120.759 120.300 -0.006 0.000 2.200 434 Y HA -0.157 4.393 4.550 0.000 0.000 0.290 434 Y C 1.981 177.829 175.900 -0.087 0.000 1.137 434 Y CA 1.582 59.666 58.100 -0.027 0.000 1.163 434 Y CB -0.023 38.435 38.460 -0.004 0.000 0.988 434 Y HN 0.229 nan 8.280 nan 0.000 0.518 435 I N 0.799 121.287 120.570 -0.136 0.000 2.252 435 I HA -0.257 3.914 4.170 0.000 0.000 0.245 435 I C 2.101 178.005 176.117 -0.355 0.000 1.102 435 I CA 1.490 62.566 61.300 -0.374 0.000 1.385 435 I CB -1.207 36.545 38.000 -0.414 0.000 1.064 435 I HN 0.289 nan 8.210 nan 0.000 0.414 436 K N 0.481 120.730 120.400 -0.252 0.000 2.097 436 K HA -0.240 4.080 4.320 0.000 0.000 0.206 436 K C 2.038 178.529 176.600 -0.182 0.000 1.049 436 K CA 1.566 57.698 56.287 -0.258 0.000 0.933 436 K CB -0.067 32.227 32.500 -0.343 0.000 0.717 436 K HN 0.201 nan 8.250 nan 0.000 0.442 437 E N 0.954 121.024 120.200 -0.217 0.000 2.028 437 E HA -0.128 4.223 4.350 0.000 0.000 0.190 437 E C 1.900 178.325 176.600 -0.292 0.000 0.984 437 E CA 2.045 58.323 56.400 -0.203 0.000 0.800 437 E CB -0.001 29.604 29.700 -0.158 0.000 0.758 437 E HN 0.219 nan 8.360 nan 0.000 0.448 438 S N -1.631 113.801 115.700 -0.447 0.000 2.456 438 S HA 0.232 4.702 4.470 0.000 0.000 0.224 438 S C 1.735 176.133 174.600 -0.336 0.000 1.035 438 S CA 0.483 58.426 58.200 -0.428 0.000 0.940 438 S CB 0.146 62.968 63.200 -0.629 0.000 0.799 438 S HN 0.641 nan 8.310 nan 0.000 0.508 439 G N 1.741 110.325 108.800 -0.360 0.000 2.143 439 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 439 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 439 G C -0.165 174.651 174.900 -0.139 0.000 0.991 439 G CA 0.225 45.204 45.100 -0.202 0.000 0.689 439 G HN 0.693 nan 8.290 nan 0.000 0.522 440 D N -0.142 120.112 120.400 -0.244 0.000 2.608 440 D HA 0.336 4.977 4.640 0.000 0.000 0.224 440 D C 1.223 177.549 176.300 0.042 0.000 1.123 440 D CA -0.757 53.230 54.000 -0.022 0.000 1.030 440 D CB -0.481 40.353 40.800 0.058 0.000 1.093 440 D HN 0.421 nan 8.370 nan 0.000 0.497 441 W N 1.898 123.250 121.300 0.086 0.000 2.468 441 W HA 0.099 4.759 4.660 0.000 0.000 0.262 441 W C 2.425 178.999 176.519 0.092 0.000 1.241 441 W CA 0.556 57.956 57.345 0.091 0.000 1.232 441 W CB -0.100 29.384 29.460 0.040 0.000 1.124 441 W HN 0.467 nan 8.180 nan 0.000 0.597 442 G N 0.433 109.398 108.800 0.275 0.000 2.470 442 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 442 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 442 G C 1.454 176.452 174.900 0.163 0.000 1.121 442 G CA 0.757 45.971 45.100 0.190 0.000 0.766 442 G HN 0.362 nan 8.290 nan 0.000 0.553 443 I N 0.209 120.886 120.570 0.179 0.000 2.335 443 I HA -0.115 4.055 4.170 0.000 0.000 0.251 443 I C 2.378 178.572 176.117 0.130 0.000 1.129 443 I CA 0.812 62.190 61.300 0.130 0.000 1.402 443 I CB 0.069 38.148 38.000 0.131 0.000 1.069 443 I HN 0.129 nan 8.210 nan 0.000 0.424 444 L N 0.302 121.638 121.223 0.188 0.000 2.265 444 L HA -0.202 4.138 4.340 0.000 0.000 0.215 444 L C 1.449 178.442 176.870 0.205 0.000 1.117 444 L CA 0.939 55.920 54.840 0.234 0.000 0.782 444 L CB -0.626 41.607 42.059 0.291 0.000 0.914 444 L HN 0.300 nan 8.230 nan 0.000 0.441 445 D N -0.716 119.775 120.400 0.152 0.000 2.350 445 D HA -0.023 4.617 4.640 0.000 0.000 0.213 445 D C 0.681 177.039 176.300 0.096 0.000 1.031 445 D CA 0.207 54.280 54.000 0.122 0.000 0.861 445 D CB 0.205 41.064 40.800 0.099 0.000 0.926 445 D HN 0.169 nan 8.370 nan 0.000 0.520 446 E N 2.072 122.320 120.200 0.080 0.000 2.417 446 E HA 0.076 4.426 4.350 0.000 0.000 0.261 446 E C -2.527 174.091 176.600 0.030 0.000 1.000 446 E CA -1.563 54.861 56.400 0.041 0.000 0.919 446 E CB 0.807 30.514 29.700 0.011 0.000 0.955 446 E HN -0.091 nan 8.360 nan 0.000 0.455 447 P HA 0.079 nan 4.420 nan 0.000 0.276 447 P C -1.250 176.033 177.300 -0.027 0.000 1.253 447 P CA -0.110 63.003 63.100 0.021 0.000 0.766 447 P CB 0.842 32.559 31.700 0.028 0.000 0.845 448 V N 6.613 126.497 119.914 -0.049 0.000 2.638 448 V HA 0.447 4.567 4.120 0.000 0.000 0.306 448 V C -2.051 173.998 176.094 -0.075 0.000 1.052 448 V CA -2.102 60.108 62.300 -0.150 0.000 0.885 448 V CB 2.321 33.852 31.823 -0.487 0.000 0.999 448 V HN 0.487 nan 8.190 nan 0.000 0.424 449 P HA 0.420 nan 4.420 nan 0.000 0.279 449 P C -1.254 175.987 177.300 -0.099 0.000 1.276 449 P CA -0.443 62.621 63.100 -0.060 0.000 0.801 449 P CB 1.015 32.724 31.700 0.015 0.000 1.127 450 F N -0.204 119.851 119.950 0.175 0.000 2.411 450 F HA 0.205 4.732 4.527 0.000 0.000 0.352 450 F C 0.997 176.871 175.800 0.123 0.000 1.123 450 F CA 0.225 58.316 58.000 0.153 0.000 1.044 450 F CB 0.116 39.178 39.000 0.103 0.000 1.135 450 F HN 0.365 nan 8.300 nan 0.000 0.461 451 D N 3.337 123.883 120.400 0.243 0.000 2.689 451 D HA -0.285 4.355 4.640 0.000 0.000 0.237 451 D C 0.133 176.530 176.300 0.162 0.000 1.148 451 D CA 0.840 54.956 54.000 0.192 0.000 0.656 451 D CB -1.037 39.954 40.800 0.318 0.000 1.050 451 D HN 0.763 nan 8.370 nan 0.000 0.426 452 N N -0.486 118.272 118.700 0.097 0.000 2.710 452 N HA -0.242 4.499 4.740 0.000 0.000 0.249 452 N C -0.658 174.899 175.510 0.078 0.000 1.059 452 N CA 1.166 54.247 53.050 0.053 0.000 0.720 452 N CB -0.467 38.029 38.487 0.015 0.000 0.983 452 N HN 0.570 nan 8.380 nan 0.000 0.544 453 E N 1.087 121.357 120.200 0.117 0.000 2.167 453 E HA 0.212 4.562 4.350 0.000 0.000 0.284 453 E C -2.039 174.618 176.600 0.094 0.000 1.016 453 E CA -1.617 54.855 56.400 0.119 0.000 0.817 453 E CB 0.980 30.778 29.700 0.163 0.000 1.080 453 E HN 0.171 nan 8.360 nan 0.000 0.397 454 P HA 0.006 nan 4.420 nan 0.000 0.267 454 P C 0.643 177.984 177.300 0.069 0.000 1.209 454 P CA 0.516 63.652 63.100 0.059 0.000 0.763 454 P CB 0.655 32.384 31.700 0.048 0.000 0.816 455 G N 3.183 112.024 108.800 0.068 0.000 2.176 455 G HA2 -0.275 3.685 3.960 0.000 0.000 0.232 455 G HA3 -0.275 3.685 3.960 0.000 0.000 0.232 455 G C 0.714 175.673 174.900 0.099 0.000 0.986 455 G CA 0.333 45.477 45.100 0.074 0.000 0.643 455 G HN 0.664 nan 8.290 nan 0.000 0.522 456 S N -0.168 115.605 115.700 0.122 0.000 2.597 456 S HA 0.464 4.934 4.470 0.000 0.000 0.224 456 S C 0.403 175.094 174.600 0.152 0.000 0.955 456 S CA 0.397 58.709 58.200 0.186 0.000 0.933 456 S CB 0.555 63.918 63.200 0.272 0.000 0.788 456 S HN 0.454 nan 8.310 nan 0.000 0.488 457 E N 1.915 122.165 120.200 0.084 0.000 2.414 457 E HA 0.398 4.748 4.350 0.000 0.000 0.263 457 E C 0.013 176.656 176.600 0.072 0.000 1.000 457 E CA 0.054 56.481 56.400 0.045 0.000 0.914 457 E CB 1.092 30.816 29.700 0.039 0.000 0.948 457 E HN 0.432 nan 8.360 nan 0.000 0.444 458 V N -0.267 119.683 119.914 0.059 0.000 3.188 458 V HA 0.671 4.791 4.120 0.000 0.000 0.305 458 V C -2.665 173.517 176.094 0.146 0.000 1.232 458 V CA -2.703 59.667 62.300 0.117 0.000 1.043 458 V CB 2.011 33.925 31.823 0.151 0.000 1.068 458 V HN 0.504 nan 8.190 nan 0.000 0.439 459 P HA 0.104 nan 4.420 nan 0.000 0.268 459 P C 0.774 178.226 177.300 0.254 0.000 1.205 459 P CA -0.054 63.160 63.100 0.190 0.000 0.771 459 P CB 1.212 33.038 31.700 0.209 0.000 0.858 460 L N 3.916 125.247 121.223 0.179 0.000 2.089 460 L HA -0.196 4.145 4.340 0.000 0.000 0.213 460 L C 2.223 179.258 176.870 0.275 0.000 1.079 460 L CA 1.819 56.744 54.840 0.143 0.000 0.758 460 L CB -1.574 40.521 42.059 0.060 0.000 0.891 460 L HN 0.335 nan 8.230 nan 0.000 0.433 461 F N 0.306 120.372 119.950 0.193 0.000 2.202 461 F HA -0.239 4.288 4.527 0.000 0.000 0.301 461 F C 2.380 178.353 175.800 0.289 0.000 1.082 461 F CA 1.738 59.875 58.000 0.229 0.000 1.313 461 F CB -0.073 39.035 39.000 0.180 0.000 1.024 461 F HN 0.282 nan 8.300 nan 0.000 0.495 462 E N -0.255 120.108 120.200 0.271 0.000 2.110 462 E HA -0.232 4.118 4.350 0.000 0.000 0.193 462 E C 2.166 178.868 176.600 0.169 0.000 0.988 462 E CA 1.800 58.318 56.400 0.198 0.000 0.804 462 E CB -0.634 29.220 29.700 0.256 0.000 0.745 462 E HN 0.556 nan 8.360 nan 0.000 0.458 463 H N -0.107 119.044 119.070 0.135 0.000 2.387 463 H HA -0.098 4.458 4.556 0.000 0.000 0.299 463 H C 2.109 177.518 175.328 0.135 0.000 1.099 463 H CA 1.617 57.778 56.048 0.188 0.000 1.315 463 H CB 0.033 29.860 29.762 0.108 0.000 1.380 463 H HN 0.240 nan 8.280 nan 0.000 0.513 464 L N 0.490 121.809 121.223 0.160 0.000 2.093 464 L HA -0.139 4.201 4.340 0.000 0.000 0.208 464 L C 2.924 179.759 176.870 -0.058 0.000 1.085 464 L CA 1.594 56.480 54.840 0.078 0.000 0.755 464 L CB -0.705 41.396 42.059 0.069 0.000 0.904 464 L HN 0.390 nan 8.230 nan 0.000 0.435 465 T N -2.703 111.786 114.554 -0.109 0.000 2.821 465 T HA -0.129 4.221 4.350 0.000 0.000 0.267 465 T C 2.090 176.816 174.700 0.044 0.000 1.046 465 T CA 0.460 62.511 62.100 -0.082 0.000 1.139 465 T CB -0.170 68.738 68.868 0.068 0.000 0.871 465 T HN 0.143 nan 8.240 nan 0.000 0.454 466 R N 1.573 122.129 120.500 0.095 0.000 2.081 466 R HA 0.069 4.409 4.340 0.000 0.000 0.235 466 R C 2.924 179.314 176.300 0.150 0.000 1.131 466 R CA 1.453 57.626 56.100 0.121 0.000 0.960 466 R CB -1.444 28.931 30.300 0.126 0.000 0.856 466 R HN 0.472 nan 8.270 nan 0.000 0.436 467 S N 0.995 116.784 115.700 0.149 0.000 2.356 467 S HA -0.123 4.347 4.470 0.000 0.000 0.223 467 S C 1.657 176.358 174.600 0.168 0.000 1.032 467 S CA 1.230 59.526 58.200 0.160 0.000 1.005 467 S CB -0.374 62.934 63.200 0.179 0.000 0.867 467 S HN 0.329 nan 8.310 nan 0.000 0.449 468 F N 2.389 122.280 119.950 -0.098 0.000 2.134 468 F HA -0.130 4.397 4.527 0.000 0.000 0.299 468 F C 2.503 178.327 175.800 0.039 0.000 1.097 468 F CA 1.328 59.251 58.000 -0.128 0.000 1.264 468 F CB -0.203 38.342 39.000 -0.758 0.000 1.001 468 F HN 0.086 nan 8.300 nan 0.000 0.479 469 Q N -0.432 119.428 119.800 0.101 0.000 2.224 469 Q HA -0.185 4.155 4.340 0.000 0.000 0.203 469 Q C 2.148 178.107 176.000 -0.068 0.000 0.970 469 Q CA 1.266 57.078 55.803 0.015 0.000 0.865 469 Q CB -0.862 27.940 28.738 0.107 0.000 0.922 469 Q HN 0.572 nan 8.270 nan 0.000 0.445 470 F N 1.459 121.348 119.950 -0.101 0.000 2.171 470 F HA -0.203 4.324 4.527 0.000 0.000 0.300 470 F C 2.020 177.712 175.800 -0.180 0.000 1.090 470 F CA 1.593 59.528 58.000 -0.109 0.000 1.293 470 F CB -0.084 38.887 39.000 -0.048 0.000 1.013 470 F HN -0.019 nan 8.300 nan 0.000 0.486 471 T N 0.367 114.908 114.554 -0.022 0.000 2.770 471 T HA -0.138 4.212 4.350 0.000 0.000 0.263 471 T C 2.272 176.630 174.700 -0.570 0.000 1.039 471 T CA 1.769 63.719 62.100 -0.249 0.000 1.142 471 T CB -0.784 67.937 68.868 -0.244 0.000 0.868 471 T HN 0.293 nan 8.240 nan 0.000 0.435 472 V N 0.819 120.329 119.914 -0.674 0.000 2.392 472 V HA -0.174 3.946 4.120 0.000 0.000 0.249 472 V C 1.779 177.530 176.094 -0.573 0.000 1.059 472 V CA 1.584 63.415 62.300 -0.781 0.000 1.051 472 V CB -0.905 30.370 31.823 -0.913 0.000 0.658 472 V HN 0.463 nan 8.190 nan 0.000 0.455 473 Q N 0.522 120.046 119.800 -0.461 0.000 2.320 473 Q HA 0.218 4.558 4.340 0.000 0.000 0.201 473 Q C 0.059 175.808 176.000 -0.417 0.000 0.910 473 Q CA 0.058 55.631 55.803 -0.383 0.000 0.946 473 Q CB 0.076 28.627 28.738 -0.311 0.000 1.062 473 Q HN 0.679 nan 8.270 nan 0.000 0.503 474 N N 1.011 119.430 118.700 -0.468 0.000 2.679 474 N HA 0.210 4.950 4.740 0.000 0.000 0.302 474 N C -1.019 174.302 175.510 -0.316 0.000 1.941 474 N CA -0.008 52.783 53.050 -0.432 0.000 0.875 474 N CB 0.845 38.954 38.487 -0.630 0.000 1.278 474 N HN 0.048 nan 8.380 nan 0.000 0.490 475 R N -0.683 119.644 120.500 -0.289 0.000 2.668 475 R HA 0.630 4.970 4.340 0.000 0.000 0.279 475 R C 0.853 177.044 176.300 -0.181 0.000 0.976 475 R CA -0.625 55.335 56.100 -0.233 0.000 0.978 475 R CB 1.548 31.695 30.300 -0.255 0.000 1.133 475 R HN 0.115 nan 8.270 nan 0.000 0.484 476 G N 0.926 109.642 108.800 -0.139 0.000 2.543 476 G HA2 0.183 4.144 3.960 0.000 0.000 0.267 476 G HA3 0.183 4.144 3.960 0.000 0.000 0.267 476 G C -1.561 173.244 174.900 -0.158 0.000 1.406 476 G CA -0.828 44.191 45.100 -0.135 0.000 1.048 476 G HN 0.392 nan 8.290 nan 0.000 0.548 477 P HA -0.104 nan 4.420 nan 0.000 0.220 477 P C 0.548 177.569 177.300 -0.465 0.000 1.148 477 P CA 1.350 64.249 63.100 -0.334 0.000 0.803 477 P CB 0.044 31.497 31.700 -0.411 0.000 0.782 478 H N -1.547 117.310 119.070 -0.355 0.000 2.539 478 H HA 0.354 4.911 4.556 0.000 0.000 0.269 478 H C 1.468 176.713 175.328 -0.138 0.000 0.980 478 H CA 0.782 56.554 56.048 -0.460 0.000 1.152 478 H CB -0.220 29.226 29.762 -0.527 0.000 1.407 478 H HN 0.185 nan 8.280 nan 0.000 0.564 479 G N 0.377 109.163 108.800 -0.023 0.000 2.141 479 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 479 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 479 G C -0.084 174.810 174.900 -0.011 0.000 0.982 479 G CA -0.002 45.096 45.100 -0.005 0.000 0.662 479 G HN 0.256 nan 8.290 nan 0.000 0.527 480 L N 1.535 122.762 121.223 0.007 0.000 2.334 480 L HA 0.528 4.868 4.340 0.000 0.000 0.275 480 L C -1.668 175.159 176.870 -0.072 0.000 1.036 480 L CA -2.575 52.264 54.840 -0.001 0.000 0.807 480 L CB 1.509 43.619 42.059 0.084 0.000 1.231 480 L HN -0.102 nan 8.230 nan 0.000 0.438 481 P HA 0.077 nan 4.420 nan 0.000 0.268 481 P C -0.624 176.644 177.300 -0.055 0.000 1.204 481 P CA -0.156 62.865 63.100 -0.130 0.000 0.768 481 P CB 0.613 32.228 31.700 -0.141 0.000 0.842 482 L N 4.061 125.238 121.223 -0.076 0.000 2.485 482 L HA 0.083 4.423 4.340 0.000 0.000 0.275 482 L C 2.275 179.152 176.870 0.011 0.000 1.207 482 L CA 0.075 54.887 54.840 -0.046 0.000 0.855 482 L CB 0.139 42.145 42.059 -0.087 0.000 1.114 482 L HN 0.419 nan 8.230 nan 0.000 0.485 483 I N 1.021 121.604 120.570 0.021 0.000 2.584 483 I HA 0.044 4.215 4.170 0.000 0.000 0.255 483 I C 1.402 177.540 176.117 0.036 0.000 1.145 483 I CA 1.203 62.532 61.300 0.048 0.000 1.462 483 I CB -0.014 38.007 38.000 0.035 0.000 1.102 483 I HN 0.926 nan 8.210 nan 0.000 0.433 484 G N 0.984 109.786 108.800 0.004 0.000 2.552 484 G HA2 -0.459 3.501 3.960 0.000 0.000 0.265 484 G HA3 -0.459 3.501 3.960 0.000 0.000 0.265 484 G C 0.729 175.572 174.900 -0.094 0.000 1.234 484 G CA 0.543 45.626 45.100 -0.030 0.000 0.944 484 G HN 0.494 nan 8.290 nan 0.000 0.568 485 R N 0.468 120.833 120.500 -0.225 0.000 2.119 485 R HA 0.292 4.633 4.340 0.000 0.000 0.246 485 R C 1.254 177.383 176.300 -0.285 0.000 1.146 485 R CA 3.564 59.435 56.100 -0.381 0.000 0.962 485 R CB -0.726 29.049 30.300 -0.874 0.000 0.863 485 R HN 2.433 nan 8.270 nan 0.000 0.442 486 A N -1.301 121.401 122.820 -0.196 0.000 2.452 486 A HA 0.394 4.714 4.320 0.000 0.000 0.294 486 A C -1.584 176.103 177.584 0.173 0.000 1.010 486 A CA -0.414 51.637 52.037 0.024 0.000 0.613 486 A CB 0.129 19.194 19.000 0.108 0.000 1.363 486 A HN 0.360 nan 8.150 nan 0.000 0.463 487 D N -1.419 119.085 120.400 0.173 0.000 2.538 487 D HA 0.359 4.999 4.640 0.000 0.000 0.262 487 D C 1.118 177.539 176.300 0.202 0.000 1.186 487 D CA 0.140 54.282 54.000 0.237 0.000 1.090 487 D CB -0.567 40.370 40.800 0.230 0.000 1.187 487 D HN 0.734 nan 8.370 nan 0.000 0.614 488 W N 0.600 121.856 121.300 -0.072 0.000 2.290 488 W HA -0.155 4.505 4.660 0.000 0.000 0.311 488 W C 0.507 176.927 176.519 -0.165 0.000 1.238 488 W CA 1.585 58.847 57.345 -0.138 0.000 1.255 488 W CB -0.219 28.895 29.460 -0.577 0.000 1.145 488 W HN 0.235 nan 8.180 nan 0.000 0.506 489 N N 1.752 120.301 118.700 -0.252 0.000 2.399 489 N HA -0.054 4.686 4.740 0.000 0.000 0.259 489 N C 0.233 175.594 175.510 -0.249 0.000 1.160 489 N CA 0.476 53.256 53.050 -0.451 0.000 0.946 489 N CB 0.462 38.942 38.487 -0.011 0.000 1.156 489 N HN 0.101 nan 8.380 nan 0.000 0.489 490 D N 2.066 122.269 120.400 -0.329 0.000 2.351 490 D HA -0.056 4.584 4.640 0.000 0.000 0.216 490 D C 0.970 177.273 176.300 0.004 0.000 0.968 490 D CA 0.788 54.758 54.000 -0.050 0.000 0.899 490 D CB 0.166 40.926 40.800 -0.067 0.000 0.907 490 D HN 0.526 nan 8.370 nan 0.000 0.514 491 C N 0.084 119.344 119.300 -0.066 0.000 2.791 491 C HA 0.260 4.720 4.460 0.000 0.000 0.270 491 C C 0.804 175.780 174.990 -0.024 0.000 1.257 491 C CA -0.698 58.295 59.018 -0.040 0.000 1.699 491 C CB -0.774 26.957 27.740 -0.015 0.000 1.904 491 C HN 0.124 nan 8.230 nan 0.000 0.603 492 L N 3.122 124.352 121.223 0.011 0.000 2.352 492 L HA 0.375 4.715 4.340 0.000 0.000 0.272 492 L C -0.813 176.038 176.870 -0.032 0.000 1.109 492 L CA 0.213 55.056 54.840 0.005 0.000 0.952 492 L CB -0.866 41.198 42.059 0.008 0.000 1.314 492 L HN 0.213 nan 8.230 nan 0.000 0.427 493 N N 4.846 123.511 118.700 -0.058 0.000 2.621 493 N HA 0.288 5.028 4.740 0.000 0.000 0.237 493 N C 0.536 175.993 175.510 -0.088 0.000 0.997 493 N CA -0.346 52.676 53.050 -0.047 0.000 0.918 493 N CB 1.081 39.574 38.487 0.010 0.000 1.122 493 N HN 0.493 nan 8.380 nan 0.000 0.510 494 L N 0.390 121.577 121.223 -0.061 0.000 2.558 494 L HA 0.156 4.496 4.340 0.000 0.000 0.225 494 L C 0.554 177.484 176.870 0.101 0.000 1.128 494 L CA 0.462 55.273 54.840 -0.048 0.000 0.868 494 L CB -0.000 42.058 42.059 -0.001 0.000 1.006 494 L HN 0.502 nan 8.230 nan 0.000 0.454 495 N N -1.461 117.311 118.700 0.120 0.000 2.416 495 N HA 0.092 4.832 4.740 0.000 0.000 0.267 495 N C 0.663 176.298 175.510 0.209 0.000 1.294 495 N CA 0.052 53.260 53.050 0.262 0.000 0.891 495 N CB 0.918 39.508 38.487 0.172 0.000 1.238 495 N HN 0.189 nan 8.380 nan 0.000 0.508 496 C N -0.577 118.808 119.300 0.143 0.000 2.598 496 C HA 0.298 4.758 4.460 0.000 0.000 0.291 496 C C 0.355 175.480 174.990 0.225 0.000 1.437 496 C CA 0.216 59.312 59.018 0.129 0.000 1.864 496 C CB -0.914 26.891 27.740 0.108 0.000 2.068 496 C HN 0.477 nan 8.230 nan 0.000 0.618 497 F N 2.254 122.209 119.950 0.008 0.000 2.866 497 F HA -0.119 4.408 4.527 0.000 0.000 0.254 497 F C 0.499 176.314 175.800 0.025 0.000 1.009 497 F CA 0.829 58.821 58.000 -0.013 0.000 0.907 497 F CB -1.833 37.108 39.000 -0.099 0.000 0.859 497 F HN 0.307 nan 8.300 nan 0.000 0.842 498 S N 0.119 115.924 115.700 0.174 0.000 2.499 498 S HA 0.591 5.061 4.470 0.000 0.000 0.279 498 S C 0.958 175.651 174.600 0.155 0.000 1.219 498 S CA 0.216 58.473 58.200 0.094 0.000 1.062 498 S CB 1.088 64.227 63.200 -0.102 0.000 0.978 498 S HN 0.464 nan 8.310 nan 0.000 0.489 499 T N 0.421 115.025 114.554 0.083 0.000 3.043 499 T HA 0.237 4.587 4.350 0.000 0.000 0.272 499 T C 0.235 174.940 174.700 0.008 0.000 0.990 499 T CA -0.204 61.954 62.100 0.096 0.000 0.897 499 T CB -0.024 68.898 68.868 0.090 0.000 1.111 499 T HN 0.493 nan 8.240 nan 0.000 0.529 500 T N 5.830 120.356 114.554 -0.046 0.000 2.738 500 T HA 0.439 4.790 4.350 0.000 0.000 0.298 500 T C -2.430 172.189 174.700 -0.135 0.000 0.962 500 T CA -1.102 60.952 62.100 -0.076 0.000 0.972 500 T CB 1.263 70.087 68.868 -0.073 0.000 0.928 500 T HN 0.271 nan 8.240 nan 0.000 0.474 501 P HA 0.225 nan 4.420 nan 0.000 0.271 501 P C 1.079 178.299 177.300 -0.132 0.000 1.233 501 P CA 0.295 63.314 63.100 -0.136 0.000 0.789 501 P CB 0.565 32.208 31.700 -0.095 0.000 0.951 502 G N 0.866 109.585 108.800 -0.134 0.000 2.550 502 G HA2 -0.275 3.685 3.960 0.000 0.000 0.233 502 G HA3 -0.275 3.685 3.960 0.000 0.000 0.233 502 G C 0.207 175.031 174.900 -0.126 0.000 1.170 502 G CA 0.544 45.581 45.100 -0.106 0.000 0.693 502 G HN 0.892 nan 8.290 nan 0.000 0.512 503 E N 1.469 121.570 120.200 -0.166 0.000 2.299 503 E HA 0.488 4.838 4.350 0.000 0.000 0.272 503 E C 0.306 176.760 176.600 -0.243 0.000 1.043 503 E CA 0.269 56.568 56.400 -0.168 0.000 0.895 503 E CB 1.020 30.624 29.700 -0.160 0.000 1.011 503 E HN 0.338 nan 8.360 nan 0.000 0.432 504 S N 3.416 119.040 115.700 -0.126 0.000 2.546 504 S HA -0.045 4.425 4.470 0.000 0.000 0.290 504 S C 0.356 174.917 174.600 -0.066 0.000 1.290 504 S CA -0.471 57.696 58.200 -0.055 0.000 1.069 504 S CB -0.101 63.118 63.200 0.032 0.000 0.846 504 S HN 0.537 nan 8.310 nan 0.000 0.495 505 F N 2.578 122.528 119.950 -0.000 0.000 2.408 505 F HA -0.058 4.469 4.527 0.000 0.000 0.300 505 F C 2.481 178.290 175.800 0.014 0.000 1.090 505 F CA 0.597 58.599 58.000 0.003 0.000 1.427 505 F CB -0.083 38.920 39.000 0.004 0.000 1.070 505 F HN 0.546 nan 8.300 nan 0.000 0.549 506 Q N -0.417 119.516 119.800 0.222 0.000 2.172 506 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 506 Q C 1.851 177.929 176.000 0.130 0.000 0.964 506 Q CA 1.807 57.730 55.803 0.201 0.000 0.855 506 Q CB -0.824 28.048 28.738 0.225 0.000 0.918 506 Q HN 0.479 nan 8.270 nan 0.000 0.444 507 T N -4.001 110.600 114.554 0.079 0.000 3.091 507 T HA 0.144 4.495 4.350 0.000 0.000 0.277 507 T C 0.569 175.272 174.700 0.006 0.000 0.996 507 T CA -0.240 61.889 62.100 0.048 0.000 0.897 507 T CB 0.342 69.246 68.868 0.059 0.000 1.109 507 T HN -0.074 nan 8.240 nan 0.000 0.534 508 T N 3.739 118.284 114.554 -0.015 0.000 2.814 508 T HA 0.183 4.533 4.350 0.000 0.000 0.297 508 T C 0.275 174.961 174.700 -0.024 0.000 0.956 508 T CA -0.593 61.484 62.100 -0.039 0.000 1.123 508 T CB 0.238 69.054 68.868 -0.086 0.000 0.902 508 T HN 0.564 nan 8.240 nan 0.000 0.528 509 E N 4.957 125.143 120.200 -0.022 0.000 2.558 509 E HA -0.018 4.332 4.350 0.000 0.000 0.255 509 E C 0.070 176.665 176.600 -0.008 0.000 0.968 509 E CA 0.129 56.517 56.400 -0.020 0.000 0.939 509 E CB 0.185 29.874 29.700 -0.018 0.000 0.921 509 E HN 0.608 nan 8.360 nan 0.000 0.477 510 N N 2.504 121.197 118.700 -0.012 0.000 2.354 510 N HA 0.012 4.752 4.740 0.000 0.000 0.246 510 N C -0.120 175.408 175.510 0.031 0.000 1.285 510 N CA -0.560 52.501 53.050 0.017 0.000 0.925 510 N CB 0.557 39.041 38.487 -0.004 0.000 1.174 510 N HN 0.487 nan 8.380 nan 0.000 0.478 511 Q N 0.592 120.434 119.800 0.071 0.000 2.235 511 Q HA 0.375 4.715 4.340 0.000 0.000 0.250 511 Q C -0.445 175.622 176.000 0.110 0.000 0.909 511 Q CA -0.447 55.389 55.803 0.057 0.000 0.910 511 Q CB 1.574 30.292 28.738 -0.033 0.000 1.223 511 Q HN 0.607 nan 8.270 nan 0.000 0.432 512 A N 1.105 123.964 122.820 0.065 0.000 2.332 512 A HA 0.691 5.011 4.320 0.000 0.000 0.258 512 A C 0.675 178.305 177.584 0.078 0.000 1.087 512 A CA 0.718 52.779 52.037 0.041 0.000 0.802 512 A CB -0.002 18.999 19.000 0.001 0.000 1.042 512 A HN 0.886 nan 8.150 nan 0.000 0.489 513 G N -0.529 108.252 108.800 -0.031 0.000 2.725 513 G HA2 0.544 4.505 3.960 0.000 0.000 0.220 513 G HA3 0.544 4.505 3.960 0.000 0.000 0.220 513 G C 1.001 175.605 174.900 -0.494 0.000 1.357 513 G CA 0.305 45.315 45.100 -0.149 0.000 0.866 513 G HN 3.139 nan 8.290 nan 0.000 0.548 514 G N -3.358 104.905 108.800 -0.894 0.000 2.746 514 G HA2 0.408 4.368 3.960 0.000 0.000 0.685 514 G HA3 0.408 4.368 3.960 0.000 0.000 0.685 514 G C 0.442 174.953 174.900 -0.648 0.000 1.350 514 G CA 1.007 45.206 45.100 -1.501 0.000 0.837 514 G HN 2.482 nan 8.290 nan 0.000 0.564 515 V N -3.179 116.445 119.914 -0.483 0.000 2.841 515 V HA 0.784 4.904 4.120 0.000 0.000 0.363 515 V C 0.986 177.005 176.094 -0.125 0.000 1.330 515 V CA 0.675 62.828 62.300 -0.244 0.000 1.207 515 V CB 0.305 32.015 31.823 -0.188 0.000 1.318 515 V HN 2.479 nan 8.190 nan 0.000 0.603 516 A N 0.893 123.642 122.820 -0.118 0.000 2.522 516 A HA 0.534 4.854 4.320 0.000 0.000 0.256 516 A C 0.312 177.901 177.584 0.009 0.000 1.086 516 A CA 0.398 52.430 52.037 -0.009 0.000 0.763 516 A CB -0.154 18.855 19.000 0.015 0.000 1.024 516 A HN 0.783 nan 8.150 nan 0.000 0.502 517 E N 1.246 121.487 120.200 0.069 0.000 2.277 517 E HA 0.520 4.871 4.350 0.000 0.000 0.266 517 E C -0.805 175.841 176.600 0.076 0.000 0.901 517 E CA -0.642 55.802 56.400 0.073 0.000 0.782 517 E CB 2.003 31.773 29.700 0.116 0.000 1.228 517 E HN 0.520 nan 8.360 nan 0.000 0.424 518 S N 1.193 116.933 115.700 0.066 0.000 2.449 518 S HA 0.206 4.676 4.470 0.000 0.000 0.310 518 S C 0.581 175.232 174.600 0.085 0.000 1.096 518 S CA -0.655 57.590 58.200 0.076 0.000 1.095 518 S CB 1.170 64.442 63.200 0.120 0.000 1.007 518 S HN 0.349 nan 8.310 nan 0.000 0.474 519 V N 5.922 125.883 119.914 0.078 0.000 2.719 519 V HA -0.006 4.114 4.120 0.000 0.000 0.252 519 V C 1.757 177.884 176.094 0.056 0.000 1.065 519 V CA 1.515 63.859 62.300 0.075 0.000 1.086 519 V CB -0.989 30.884 31.823 0.084 0.000 0.700 519 V HN 0.928 nan 8.190 nan 0.000 0.467 520 F N 1.113 121.052 119.950 -0.019 0.000 2.113 520 F HA -0.150 4.378 4.527 0.000 0.000 0.297 520 F C 2.090 177.836 175.800 -0.089 0.000 1.103 520 F CA 1.781 59.744 58.000 -0.062 0.000 1.248 520 F CB -0.150 38.831 39.000 -0.032 0.000 0.999 520 F HN 0.061 nan 8.300 nan 0.000 0.475 521 I N 0.432 121.045 120.570 0.072 0.000 2.454 521 I HA -0.275 3.895 4.170 0.000 0.000 0.254 521 I C 2.628 178.700 176.117 -0.075 0.000 1.156 521 I CA 0.917 62.207 61.300 -0.016 0.000 1.433 521 I CB -1.064 37.002 38.000 0.109 0.000 1.082 521 I HN 0.282 nan 8.210 nan 0.000 0.432 522 A N 1.140 123.928 122.820 -0.053 0.000 1.858 522 A HA -0.139 4.181 4.320 0.000 0.000 0.216 522 A C 2.604 180.176 177.584 -0.020 0.000 1.190 522 A CA 1.870 53.903 52.037 -0.007 0.000 0.617 522 A CB -0.814 18.193 19.000 0.011 0.000 0.827 522 A HN 0.408 nan 8.150 nan 0.000 0.443 523 A N -0.825 121.903 122.820 -0.153 0.000 1.933 523 A HA -0.210 4.110 4.320 0.000 0.000 0.218 523 A C 2.219 179.710 177.584 -0.157 0.000 1.175 523 A CA 1.806 53.735 52.037 -0.181 0.000 0.628 523 A CB -0.612 18.242 19.000 -0.243 0.000 0.814 523 A HN 0.686 nan 8.150 nan 0.000 0.444 524 Q N -1.590 118.028 119.800 -0.304 0.000 2.124 524 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 524 Q C 1.860 177.828 176.000 -0.053 0.000 0.977 524 Q CA 1.903 57.547 55.803 -0.265 0.000 0.850 524 Q CB -0.269 28.093 28.738 -0.626 0.000 0.901 524 Q HN 0.687 nan 8.270 nan 0.000 0.429 525 F N 0.047 119.922 119.950 -0.125 0.000 2.163 525 F HA -0.144 4.383 4.527 0.000 0.000 0.297 525 F C 1.882 177.694 175.800 0.021 0.000 1.094 525 F CA 1.082 59.066 58.000 -0.026 0.000 1.290 525 F CB -0.052 38.909 39.000 -0.064 0.000 1.017 525 F HN -0.100 nan 8.300 nan 0.000 0.483 526 V N 0.504 120.436 119.914 0.030 0.000 2.407 526 V HA -0.271 3.849 4.120 0.000 0.000 0.248 526 V C 2.226 178.235 176.094 -0.142 0.000 1.055 526 V CA 1.763 64.034 62.300 -0.049 0.000 1.049 526 V CB -0.686 31.134 31.823 -0.005 0.000 0.662 526 V HN 0.420 nan 8.190 nan 0.000 0.455 527 L N -0.565 120.522 121.223 -0.228 0.000 1.993 527 L HA -0.101 4.239 4.340 0.000 0.000 0.206 527 L C 2.270 178.983 176.870 -0.261 0.000 1.074 527 L CA 2.032 56.658 54.840 -0.356 0.000 0.746 527 L CB -0.649 40.995 42.059 -0.691 0.000 0.896 527 L HN 0.354 nan 8.230 nan 0.000 0.435 528 Y N -0.842 119.468 120.300 0.016 0.000 2.516 528 Y HA 0.025 4.575 4.550 0.000 0.000 0.291 528 Y C 2.327 178.277 175.900 0.084 0.000 1.131 528 Y CA 0.342 58.489 58.100 0.078 0.000 1.281 528 Y CB -0.529 37.986 38.460 0.092 0.000 1.013 528 Y HN 0.331 nan 8.280 nan 0.000 0.554 529 G N 0.050 108.876 108.800 0.044 0.000 2.408 529 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 529 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 529 G C 1.853 176.836 174.900 0.138 0.000 1.150 529 G CA 0.809 45.935 45.100 0.042 0.000 0.776 529 G HN 0.434 nan 8.290 nan 0.000 0.542 530 A N 0.758 123.619 122.820 0.067 0.000 1.933 530 A HA 0.009 4.329 4.320 0.000 0.000 0.218 530 A C 2.232 179.902 177.584 0.144 0.000 1.175 530 A CA 1.778 53.867 52.037 0.085 0.000 0.628 530 A CB -0.216 18.813 19.000 0.049 0.000 0.814 530 A HN 0.279 nan 8.150 nan 0.000 0.444 531 E N -1.167 119.165 120.200 0.221 0.000 2.106 531 E HA -0.169 4.181 4.350 0.000 0.000 0.192 531 E C 1.777 178.534 176.600 0.261 0.000 0.984 531 E CA 1.292 57.872 56.400 0.299 0.000 0.806 531 E CB -0.542 29.398 29.700 0.400 0.000 0.750 531 E HN 0.816 nan 8.360 nan 0.000 0.458 532 Y N 1.733 122.115 120.300 0.137 0.000 2.181 532 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 532 Y C 2.284 178.198 175.900 0.023 0.000 1.146 532 Y CA 1.635 59.777 58.100 0.070 0.000 1.164 532 Y CB -0.478 37.945 38.460 -0.061 0.000 0.982 532 Y HN -0.001 nan 8.280 nan 0.000 0.515 533 A N -0.518 122.243 122.820 -0.100 0.000 1.908 533 A HA -0.218 4.103 4.320 0.000 0.000 0.218 533 A C 2.245 179.744 177.584 -0.143 0.000 1.181 533 A CA 2.442 54.373 52.037 -0.176 0.000 0.627 533 A CB -1.405 17.573 19.000 -0.036 0.000 0.818 533 A HN 0.529 nan 8.150 nan 0.000 0.445 534 T N 0.412 114.934 114.554 -0.054 0.000 2.788 534 T HA -0.053 4.297 4.350 0.000 0.000 0.268 534 T C 1.769 176.396 174.700 -0.122 0.000 1.044 534 T CA 1.374 63.426 62.100 -0.079 0.000 1.139 534 T CB -0.349 68.496 68.868 -0.038 0.000 0.867 534 T HN 0.376 nan 8.240 nan 0.000 0.454 535 L N 0.611 121.802 121.223 -0.052 0.000 2.141 535 L HA -0.045 4.296 4.340 0.000 0.000 0.209 535 L C 2.989 179.808 176.870 -0.084 0.000 1.094 535 L CA 1.089 55.971 54.840 0.070 0.000 0.763 535 L CB -0.612 41.597 42.059 0.250 0.000 0.908 535 L HN 0.249 nan 8.230 nan 0.000 0.437 536 A N -0.012 122.695 122.820 -0.189 0.000 1.929 536 A HA -0.161 4.159 4.320 0.000 0.000 0.216 536 A C 2.139 179.569 177.584 -0.256 0.000 1.176 536 A CA 1.170 53.030 52.037 -0.295 0.000 0.628 536 A CB -0.286 18.556 19.000 -0.264 0.000 0.816 536 A HN 0.429 nan 8.150 nan 0.000 0.444 537 E N -0.382 119.699 120.200 -0.198 0.000 2.077 537 E HA -0.178 4.172 4.350 0.000 0.000 0.193 537 E C 2.138 178.612 176.600 -0.210 0.000 0.989 537 E CA 0.868 57.166 56.400 -0.170 0.000 0.800 537 E CB -0.182 29.439 29.700 -0.131 0.000 0.746 537 E HN 0.278 nan 8.360 nan 0.000 0.452 538 R N 0.847 121.195 120.500 -0.254 0.000 2.120 538 R HA -0.048 4.292 4.340 0.000 0.000 0.234 538 R C 1.899 177.988 176.300 -0.351 0.000 1.123 538 R CA 0.935 56.812 56.100 -0.372 0.000 0.975 538 R CB -0.411 29.530 30.300 -0.598 0.000 0.866 538 R HN 0.173 nan 8.270 nan 0.000 0.446 539 R N -0.389 119.919 120.500 -0.320 0.000 2.313 539 R HA 0.082 4.422 4.340 0.000 0.000 0.199 539 R C 0.684 176.839 176.300 -0.241 0.000 0.958 539 R CA 0.581 56.492 56.100 -0.315 0.000 1.047 539 R CB 0.244 30.252 30.300 -0.488 0.000 0.955 539 R HN 0.366 nan 8.270 nan 0.000 0.481 540 G N 0.929 109.604 108.800 -0.209 0.000 2.149 540 G HA2 -0.207 3.753 3.960 0.000 0.000 0.235 540 G HA3 -0.207 3.753 3.960 0.000 0.000 0.235 540 G C -0.284 174.545 174.900 -0.118 0.000 1.018 540 G CA -0.429 44.583 45.100 -0.147 0.000 0.728 540 G HN 0.085 nan 8.290 nan 0.000 0.508 541 L N 0.969 122.111 121.223 -0.135 0.000 2.657 541 L HA 0.680 5.020 4.340 0.000 0.000 0.239 541 L C 1.881 178.714 176.870 -0.062 0.000 1.215 541 L CA 0.234 55.025 54.840 -0.082 0.000 1.161 541 L CB 0.101 42.114 42.059 -0.077 0.000 1.436 541 L HN 0.348 nan 8.230 nan 0.000 0.414 542 A N 0.524 123.312 122.820 -0.053 0.000 1.978 542 A HA -0.227 4.093 4.320 0.000 0.000 0.220 542 A C 1.820 179.391 177.584 -0.022 0.000 1.170 542 A CA 1.906 53.918 52.037 -0.043 0.000 0.636 542 A CB -0.331 18.647 19.000 -0.038 0.000 0.810 542 A HN 0.662 nan 8.150 nan 0.000 0.448 543 D N -0.067 120.330 120.400 -0.005 0.000 2.077 543 D HA -0.122 4.519 4.640 0.000 0.000 0.196 543 D C 1.617 177.935 176.300 0.031 0.000 0.986 543 D CA 1.431 55.441 54.000 0.015 0.000 0.829 543 D CB -0.934 39.883 40.800 0.029 0.000 0.983 543 D HN 0.167 nan 8.370 nan 0.000 0.453 544 V N 1.039 120.985 119.914 0.053 0.000 2.287 544 V HA -0.244 3.876 4.120 0.000 0.000 0.248 544 V C 2.680 178.798 176.094 0.040 0.000 1.053 544 V CA 1.989 64.347 62.300 0.096 0.000 1.027 544 V CB -1.112 30.799 31.823 0.147 0.000 0.646 544 V HN 0.417 nan 8.190 nan 0.000 0.447 545 A N -0.183 122.621 122.820 -0.027 0.000 1.865 545 A HA -0.268 4.052 4.320 0.000 0.000 0.217 545 A C 2.416 179.981 177.584 -0.031 0.000 1.191 545 A CA 2.758 54.754 52.037 -0.068 0.000 0.623 545 A CB -1.234 17.714 19.000 -0.086 0.000 0.826 545 A HN 0.490 nan 8.150 nan 0.000 0.444 546 T N -0.513 114.026 114.554 -0.024 0.000 2.665 546 T HA -0.206 4.144 4.350 0.000 0.000 0.268 546 T C 1.894 176.573 174.700 -0.035 0.000 1.035 546 T CA 1.764 63.851 62.100 -0.022 0.000 1.151 546 T CB -0.299 68.556 68.868 -0.021 0.000 0.862 546 T HN 0.735 nan 8.240 nan 0.000 0.438 547 E N 0.890 121.064 120.200 -0.043 0.000 2.051 547 E HA -0.140 4.210 4.350 0.000 0.000 0.192 547 E C 2.435 178.947 176.600 -0.146 0.000 0.991 547 E CA 1.067 57.381 56.400 -0.144 0.000 0.799 547 E CB -0.282 29.371 29.700 -0.080 0.000 0.748 547 E HN 0.458 nan 8.360 nan 0.000 0.449 548 A N 1.614 124.482 122.820 0.080 0.000 1.892 548 A HA -0.225 4.096 4.320 0.000 0.000 0.218 548 A C 2.228 179.990 177.584 0.297 0.000 1.188 548 A CA 1.845 54.056 52.037 0.290 0.000 0.631 548 A CB -0.643 18.334 19.000 -0.039 0.000 0.822 548 A HN 0.246 nan 8.150 nan 0.000 0.447 549 R N -0.756 119.815 120.500 0.119 0.000 2.189 549 R HA -0.089 4.251 4.340 0.000 0.000 0.223 549 R C 2.233 178.601 176.300 0.113 0.000 1.092 549 R CA 1.328 57.495 56.100 0.110 0.000 0.989 549 R CB -0.208 30.122 30.300 0.051 0.000 0.876 549 R HN 0.660 nan 8.270 nan 0.000 0.457 550 K N 0.452 120.880 120.400 0.048 0.000 2.031 550 K HA -0.127 4.193 4.320 0.000 0.000 0.205 550 K C 1.649 178.343 176.600 0.156 0.000 1.049 550 K CA 1.262 57.561 56.287 0.019 0.000 0.939 550 K CB -0.085 32.339 32.500 -0.127 0.000 0.717 550 K HN 0.188 nan 8.250 nan 0.000 0.438 551 Y N 0.316 120.783 120.300 0.279 0.000 2.165 551 Y HA -0.247 4.303 4.550 0.000 0.000 0.286 551 Y C 2.293 178.451 175.900 0.431 0.000 1.155 551 Y CA 0.602 58.905 58.100 0.338 0.000 1.164 551 Y CB -0.004 38.737 38.460 0.469 0.000 0.978 551 Y HN -0.111 nan 8.280 nan 0.000 0.513 552 V N 0.188 120.429 119.914 0.545 0.000 2.343 552 V HA -0.299 3.821 4.120 0.000 0.000 0.247 552 V C 1.581 177.833 176.094 0.263 0.000 1.051 552 V CA 2.033 64.546 62.300 0.354 0.000 1.036 552 V CB -0.503 31.412 31.823 0.153 0.000 0.654 552 V HN 0.419 nan 8.190 nan 0.000 0.451 553 D N -0.269 120.256 120.400 0.208 0.000 2.144 553 D HA -0.131 4.510 4.640 0.000 0.000 0.200 553 D C 2.231 178.623 176.300 0.153 0.000 0.978 553 D CA 1.115 55.200 54.000 0.143 0.000 0.833 553 D CB -0.140 40.722 40.800 0.103 0.000 0.961 553 D HN 0.561 nan 8.370 nan 0.000 0.470 554 E N 0.265 120.583 120.200 0.196 0.000 2.031 554 E HA -0.110 4.240 4.350 0.000 0.000 0.193 554 E C 2.285 178.977 176.600 0.153 0.000 0.994 554 E CA 0.735 57.236 56.400 0.169 0.000 0.800 554 E CB 0.045 29.867 29.700 0.203 0.000 0.752 554 E HN 0.069 nan 8.360 nan 0.000 0.447 555 V N 1.435 121.464 119.914 0.192 0.000 2.407 555 V HA -0.269 3.851 4.120 0.000 0.000 0.248 555 V C 2.441 178.622 176.094 0.145 0.000 1.055 555 V CA 2.084 64.475 62.300 0.151 0.000 1.049 555 V CB -0.548 31.398 31.823 0.206 0.000 0.662 555 V HN 0.210 nan 8.190 nan 0.000 0.455 556 R N 1.140 121.730 120.500 0.149 0.000 2.081 556 R HA -0.135 4.205 4.340 0.000 0.000 0.235 556 R C 2.182 178.536 176.300 0.091 0.000 1.131 556 R CA 1.947 58.107 56.100 0.101 0.000 0.960 556 R CB -0.648 29.701 30.300 0.083 0.000 0.856 556 R HN 0.402 nan 8.270 nan 0.000 0.436 557 A N 0.746 123.619 122.820 0.089 0.000 1.902 557 A HA -0.026 4.294 4.320 0.000 0.000 0.217 557 A C 2.472 180.098 177.584 0.070 0.000 1.181 557 A CA 1.593 53.668 52.037 0.064 0.000 0.623 557 A CB -1.041 17.995 19.000 0.059 0.000 0.818 557 A HN 0.573 nan 8.150 nan 0.000 0.443 558 A N -0.452 122.436 122.820 0.113 0.000 1.908 558 A HA -0.060 4.261 4.320 0.000 0.000 0.218 558 A C 2.227 179.926 177.584 0.191 0.000 1.181 558 A CA 1.929 54.072 52.037 0.178 0.000 0.627 558 A CB -1.033 18.086 19.000 0.197 0.000 0.818 558 A HN 0.428 nan 8.150 nan 0.000 0.445 559 V N -0.029 119.988 119.914 0.170 0.000 2.332 559 V HA -0.261 3.860 4.120 0.000 0.000 0.248 559 V C 2.528 178.791 176.094 0.282 0.000 1.055 559 V CA 2.027 64.456 62.300 0.215 0.000 1.038 559 V CB -0.706 31.203 31.823 0.143 0.000 0.651 559 V HN 0.568 nan 8.190 nan 0.000 0.450 560 L N -0.577 120.759 121.223 0.188 0.000 2.179 560 L HA -0.097 4.243 4.340 0.000 0.000 0.208 560 L C 2.497 179.419 176.870 0.088 0.000 1.096 560 L CA 1.340 56.262 54.840 0.138 0.000 0.779 560 L CB -0.458 41.620 42.059 0.031 0.000 0.922 560 L HN 0.393 nan 8.230 nan 0.000 0.443 561 E N -1.080 119.120 120.200 -0.001 0.000 2.086 561 E HA -0.089 4.262 4.350 0.000 0.000 0.190 561 E C 1.491 177.981 176.600 -0.184 0.000 0.975 561 E CA 0.764 57.060 56.400 -0.173 0.000 0.813 561 E CB 0.161 29.625 29.700 -0.393 0.000 0.768 561 E HN 0.522 nan 8.360 nan 0.000 0.457 562 H N -1.516 117.681 119.070 0.211 0.000 2.986 562 H HA 0.256 4.812 4.556 0.000 0.000 0.267 562 H C 1.208 176.697 175.328 0.267 0.000 1.072 562 H CA 0.607 56.800 56.048 0.241 0.000 1.202 562 H CB 1.161 31.071 29.762 0.247 0.000 1.535 562 H HN 0.153 nan 8.280 nan 0.000 0.522 563 G N -0.558 108.463 108.800 0.369 0.000 3.690 563 G HA2 0.023 3.983 3.960 0.000 0.000 0.283 563 G HA3 0.023 3.983 3.960 0.000 0.000 0.283 563 G C -0.478 174.673 174.900 0.418 0.000 1.057 563 G CA -0.223 45.081 45.100 0.341 0.000 0.821 563 G HN 0.178 nan 8.290 nan 0.000 0.526 564 W N 1.166 122.533 121.300 0.111 0.000 2.475 564 W HA 0.390 5.050 4.660 0.000 0.000 0.317 564 W C -0.827 175.628 176.519 -0.106 0.000 1.046 564 W CA -0.681 56.648 57.345 -0.028 0.000 1.215 564 W CB 2.088 31.501 29.460 -0.078 0.000 1.335 564 W HN 0.158 nan 8.180 nan 0.000 0.471 565 D N 2.259 122.052 120.400 -1.012 0.000 2.350 565 D HA 0.203 4.843 4.640 0.000 0.000 0.213 565 D C 1.546 177.210 176.300 -1.061 0.000 1.031 565 D CA 1.528 54.991 54.000 -0.894 0.000 0.861 565 D CB 0.483 40.746 40.800 -0.894 0.000 0.926 565 D HN 0.718 nan 8.370 nan 0.000 0.520 566 G N -0.269 107.570 108.800 -1.601 0.000 3.031 566 G HA2 -0.205 3.755 3.960 0.000 0.000 0.198 566 G HA3 -0.205 3.755 3.960 0.000 0.000 0.198 566 G C 0.948 175.510 174.900 -0.564 0.000 1.242 566 G CA 0.053 44.709 45.100 -0.739 0.000 0.878 566 G HN 0.210 nan 8.290 nan 0.000 0.493 567 Q N -0.769 118.442 119.800 -0.983 0.000 2.164 567 Q HA 0.330 4.670 4.340 0.000 0.000 0.226 567 Q C 0.040 175.853 176.000 -0.312 0.000 0.813 567 Q CA 0.775 56.335 55.803 -0.404 0.000 0.978 567 Q CB 1.420 30.032 28.738 -0.210 0.000 1.149 567 Q HN 0.878 nan 8.270 nan 0.000 0.489 568 W N -1.701 118.992 121.300 -1.011 0.000 2.989 568 W HA 0.612 5.272 4.660 0.000 0.000 0.344 568 W C -1.432 174.540 176.519 -0.912 0.000 1.233 568 W CA -1.487 55.447 57.345 -0.685 0.000 1.187 568 W CB -0.308 29.040 29.460 -0.187 0.000 1.443 568 W HN -0.240 nan 8.180 nan 0.000 0.573 569 F N 2.369 122.449 119.950 0.217 0.000 2.418 569 F HA 0.375 4.902 4.527 0.000 0.000 0.341 569 F C 0.881 176.812 175.800 0.219 0.000 1.120 569 F CA -0.202 57.942 58.000 0.240 0.000 1.232 569 F CB 0.191 39.395 39.000 0.340 0.000 1.175 569 F HN 0.167 nan 8.300 nan 0.000 0.569 570 L N 2.524 123.909 121.223 0.271 0.000 2.464 570 L HA 0.186 4.526 4.340 0.000 0.000 0.264 570 L C 1.398 178.314 176.870 0.077 0.000 1.199 570 L CA 0.231 55.124 54.840 0.089 0.000 0.818 570 L CB 0.519 42.522 42.059 -0.093 0.000 1.102 570 L HN 0.619 nan 8.230 nan 0.000 0.473 571 R N 1.893 122.336 120.500 -0.095 0.000 2.105 571 R HA 0.547 4.887 4.340 0.000 0.000 0.214 571 R C -0.379 175.787 176.300 -0.222 0.000 1.091 571 R CA 1.004 56.984 56.100 -0.200 0.000 1.007 571 R CB 0.206 30.110 30.300 -0.660 0.000 0.912 571 R HN 0.779 nan 8.270 nan 0.000 0.450 572 A N -2.349 120.282 122.820 -0.315 0.000 2.410 572 A HA 0.498 4.818 4.320 0.000 0.000 0.300 572 A C -1.857 175.488 177.584 -0.398 0.000 1.077 572 A CA -0.693 51.197 52.037 -0.246 0.000 0.610 572 A CB 0.121 19.008 19.000 -0.189 0.000 1.371 572 A HN 0.097 nan 8.150 nan 0.000 0.510 573 Y N 1.119 121.363 120.300 -0.094 0.000 2.391 573 Y HA 0.460 5.010 4.550 0.000 0.000 0.341 573 Y C 0.212 176.094 175.900 -0.029 0.000 0.965 573 Y CA -0.396 57.665 58.100 -0.064 0.000 1.067 573 Y CB 1.799 40.211 38.460 -0.081 0.000 1.199 573 Y HN 0.928 nan 8.280 nan 0.000 0.450 574 D N 0.583 121.070 120.400 0.145 0.000 2.398 574 D HA -0.098 4.542 4.640 0.000 0.000 0.264 574 D C 1.135 177.523 176.300 0.146 0.000 1.263 574 D CA -0.219 53.858 54.000 0.128 0.000 1.037 574 D CB 0.106 40.994 40.800 0.146 0.000 1.101 574 D HN 0.595 nan 8.370 nan 0.000 0.551 575 Y N -0.700 119.594 120.300 -0.009 0.000 2.241 575 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 575 Y C 1.107 176.807 175.900 -0.333 0.000 1.166 575 Y CA 1.614 59.598 58.100 -0.193 0.000 1.203 575 Y CB -0.215 38.094 38.460 -0.253 0.000 0.977 575 Y HN 0.359 nan 8.280 nan 0.000 0.529 576 Y N -0.472 120.014 120.300 0.310 0.000 2.493 576 Y HA 0.324 4.874 4.550 0.000 0.000 0.275 576 Y C 1.731 177.703 175.900 0.120 0.000 1.183 576 Y CA 0.023 58.236 58.100 0.189 0.000 1.258 576 Y CB 0.148 38.728 38.460 0.200 0.000 1.108 576 Y HN 0.168 nan 8.280 nan 0.000 0.521 577 G N 0.245 109.171 108.800 0.211 0.000 2.148 577 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 577 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 577 G C -0.099 175.014 174.900 0.355 0.000 0.981 577 G CA -0.191 45.042 45.100 0.222 0.000 0.670 577 G HN 0.315 nan 8.290 nan 0.000 0.528 578 N N 1.849 120.742 118.700 0.322 0.000 2.514 578 N HA 0.382 5.122 4.740 0.000 0.000 0.277 578 N C -2.285 173.339 175.510 0.191 0.000 1.126 578 N CA -1.055 52.151 53.050 0.261 0.000 0.978 578 N CB 1.550 40.161 38.487 0.206 0.000 1.106 578 N HN 0.217 nan 8.380 nan 0.000 0.461 579 P HA 0.067 nan 4.420 nan 0.000 0.271 579 P C -0.577 176.621 177.300 -0.169 0.000 1.216 579 P CA -0.101 62.835 63.100 -0.273 0.000 0.776 579 P CB 0.914 32.487 31.700 -0.212 0.000 0.881 580 V N 2.261 122.011 119.914 -0.273 0.000 2.495 580 V HA 0.614 4.734 4.120 0.000 0.000 0.298 580 V C 0.985 176.947 176.094 -0.220 0.000 1.031 580 V CA 0.261 62.442 62.300 -0.197 0.000 0.871 580 V CB 0.885 32.523 31.823 -0.309 0.000 0.988 580 V HN 0.955 nan 8.190 nan 0.000 0.432 581 G N 2.770 111.566 108.800 -0.007 0.000 2.248 581 G HA2 -0.174 3.787 3.960 0.000 0.000 0.252 581 G HA3 -0.174 3.787 3.960 0.000 0.000 0.252 581 G C -0.008 175.074 174.900 0.304 0.000 1.085 581 G CA 0.285 45.488 45.100 0.171 0.000 0.845 581 G HN 1.033 nan 8.290 nan 0.000 0.494 582 T N -1.412 113.284 114.554 0.237 0.000 2.885 582 T HA 0.529 4.879 4.350 0.000 0.000 0.285 582 T C 1.012 175.869 174.700 0.260 0.000 1.019 582 T CA 0.290 62.504 62.100 0.189 0.000 1.010 582 T CB 1.607 70.487 68.868 0.020 0.000 1.022 582 T HN 0.043 nan 8.240 nan 0.000 0.466 583 D N 2.526 123.055 120.400 0.215 0.000 2.350 583 D HA 0.059 4.699 4.640 0.000 0.000 0.216 583 D C 1.898 178.260 176.300 0.103 0.000 0.968 583 D CA 1.164 55.307 54.000 0.238 0.000 0.894 583 D CB -0.088 40.738 40.800 0.043 0.000 0.909 583 D HN 0.629 nan 8.370 nan 0.000 0.520 584 A N -0.134 122.717 122.820 0.053 0.000 2.067 584 A HA -0.059 4.261 4.320 0.000 0.000 0.219 584 A C 1.234 178.852 177.584 0.055 0.000 1.158 584 A CA 0.742 52.802 52.037 0.037 0.000 0.661 584 A CB -0.031 18.982 19.000 0.021 0.000 0.801 584 A HN -0.043 nan 8.150 nan 0.000 0.452 585 K N -0.349 120.098 120.400 0.080 0.000 2.087 585 K HA 0.281 4.601 4.320 0.000 0.000 0.255 585 K C -1.886 174.743 176.600 0.049 0.000 0.988 585 K CA -2.304 54.031 56.287 0.078 0.000 0.915 585 K CB 0.754 33.325 32.500 0.118 0.000 1.043 585 K HN 0.034 nan 8.250 nan 0.000 0.457 586 P HA -0.040 nan 4.420 nan 0.000 0.220 586 P C -0.497 176.739 177.300 -0.107 0.000 1.152 586 P CA 1.083 64.170 63.100 -0.022 0.000 0.812 586 P CB 0.756 32.452 31.700 -0.007 0.000 0.792 587 E N -1.466 118.656 120.200 -0.129 0.000 2.312 587 E HA 0.486 4.837 4.350 0.000 0.000 0.267 587 E C -0.146 176.174 176.600 -0.466 0.000 0.894 587 E CA -0.796 55.387 56.400 -0.362 0.000 0.773 587 E CB 1.511 30.970 29.700 -0.401 0.000 1.241 587 E HN 0.042 nan 8.360 nan 0.000 0.432 588 G N 2.114 110.515 108.800 -0.665 0.000 2.246 588 G HA2 -0.344 3.616 3.960 0.000 0.000 0.273 588 G HA3 -0.344 3.616 3.960 0.000 0.000 0.273 588 G C 0.620 175.572 174.900 0.087 0.000 1.055 588 G CA 0.752 45.612 45.100 -0.400 0.000 0.851 588 G HN 0.529 nan 8.290 nan 0.000 0.500 589 K N -0.951 119.421 120.400 -0.046 0.000 2.057 589 K HA 0.141 4.461 4.320 0.000 0.000 0.207 589 K C 1.332 177.997 176.600 0.108 0.000 1.049 589 K CA 1.353 57.710 56.287 0.116 0.000 0.931 589 K CB 0.411 32.955 32.500 0.073 0.000 0.714 589 K HN 0.608 nan 8.250 nan 0.000 0.440 590 I N 0.134 120.583 120.570 -0.201 0.000 2.533 590 I HA 0.224 4.395 4.170 0.000 0.000 0.290 590 I C -1.769 174.323 176.117 -0.042 0.000 1.056 590 I CA -0.980 60.051 61.300 -0.448 0.000 1.057 590 I CB 1.207 38.434 38.000 -1.289 0.000 1.240 590 I HN -0.024 nan 8.210 nan 0.000 0.423 591 W N 6.950 128.161 121.300 -0.149 0.000 2.573 591 W HA 0.460 5.120 4.660 0.000 0.000 0.326 591 W C 0.889 177.412 176.519 0.008 0.000 1.049 591 W CA -0.500 56.829 57.345 -0.027 0.000 1.220 591 W CB 1.413 30.905 29.460 0.054 0.000 1.373 591 W HN 0.388 nan 8.180 nan 0.000 0.507 592 I N 1.771 122.459 120.570 0.197 0.000 2.315 592 I HA -0.278 3.892 4.170 0.000 0.000 0.248 592 I C 1.512 177.778 176.117 0.249 0.000 1.117 592 I CA 1.570 62.963 61.300 0.155 0.000 1.404 592 I CB 0.262 38.294 38.000 0.053 0.000 1.071 592 I HN 0.528 nan 8.210 nan 0.000 0.419 593 E N 1.478 121.863 120.200 0.309 0.000 2.049 593 E HA -0.234 4.116 4.350 0.000 0.000 0.198 593 E C -0.780 176.072 176.600 0.421 0.000 1.007 593 E CA 2.051 58.685 56.400 0.390 0.000 0.809 593 E CB -1.693 28.206 29.700 0.332 0.000 0.749 593 E HN 0.515 nan 8.360 nan 0.000 0.450 594 P HA -0.148 nan 4.420 nan 0.000 0.218 594 P C 0.934 178.336 177.300 0.169 0.000 1.149 594 P CA 1.282 64.517 63.100 0.225 0.000 0.817 594 P CB 0.153 31.992 31.700 0.233 0.000 0.785 595 Q N 0.181 120.169 119.800 0.313 0.000 2.061 595 Q HA -0.092 4.248 4.340 0.000 0.000 0.204 595 Q C 2.567 178.709 176.000 0.236 0.000 0.984 595 Q CA 2.171 58.204 55.803 0.382 0.000 0.846 595 Q CB -1.893 27.049 28.738 0.339 0.000 0.902 595 Q HN 0.320 nan 8.270 nan 0.000 0.421 596 G N -0.396 108.536 108.800 0.219 0.000 2.394 596 G HA2 -0.198 3.762 3.960 0.000 0.000 0.214 596 G HA3 -0.198 3.762 3.960 0.000 0.000 0.214 596 G C 1.288 176.192 174.900 0.008 0.000 1.176 596 G CA 0.205 45.410 45.100 0.175 0.000 0.786 596 G HN 0.269 nan 8.290 nan 0.000 0.533 597 F N 1.768 121.600 119.950 -0.197 0.000 2.259 597 F HA 0.141 4.669 4.527 0.000 0.000 0.298 597 F C 2.920 178.472 175.800 -0.414 0.000 1.088 597 F CA 0.973 58.696 58.000 -0.462 0.000 1.358 597 F CB 0.162 38.720 39.000 -0.737 0.000 1.040 597 F HN 0.232 nan 8.300 nan 0.000 0.505 598 A N -0.566 122.095 122.820 -0.265 0.000 1.898 598 A HA -0.131 4.189 4.320 0.000 0.000 0.216 598 A C 2.222 179.629 177.584 -0.295 0.000 1.181 598 A CA 1.859 53.633 52.037 -0.438 0.000 0.620 598 A CB -1.175 17.193 19.000 -1.054 0.000 0.819 598 A HN 0.165 nan 8.150 nan 0.000 0.442 599 V N -0.136 119.685 119.914 -0.155 0.000 2.515 599 V HA -0.269 3.851 4.120 0.000 0.000 0.250 599 V C 2.557 178.562 176.094 -0.149 0.000 1.058 599 V CA 1.977 64.246 62.300 -0.052 0.000 1.064 599 V CB -0.742 31.119 31.823 0.063 0.000 0.675 599 V HN 0.551 nan 8.190 nan 0.000 0.461 600 M N 0.090 119.524 119.600 -0.278 0.000 2.213 600 M HA -0.109 4.371 4.480 0.000 0.000 0.263 600 M C 2.009 178.095 176.300 -0.357 0.000 1.062 600 M CA 1.901 56.971 55.300 -0.384 0.000 1.105 600 M CB -0.388 31.807 32.600 -0.676 0.000 1.385 600 M HN 0.380 nan 8.290 nan 0.000 0.417 601 A N -0.423 122.180 122.820 -0.361 0.000 2.259 601 A HA 0.376 4.696 4.320 0.000 0.000 0.208 601 A C 1.600 179.091 177.584 -0.156 0.000 1.201 601 A CA 0.700 52.572 52.037 -0.276 0.000 0.824 601 A CB -0.851 17.983 19.000 -0.278 0.000 0.838 601 A HN 0.653 nan 8.150 nan 0.000 0.485 602 G N -0.545 108.179 108.800 -0.126 0.000 2.162 602 G HA2 -0.253 3.708 3.960 0.000 0.000 0.260 602 G HA3 -0.253 3.708 3.960 0.000 0.000 0.260 602 G C 0.172 175.054 174.900 -0.030 0.000 0.976 602 G CA 0.331 45.395 45.100 -0.060 0.000 0.655 602 G HN 0.535 nan 8.290 nan 0.000 0.533 603 I N 0.757 121.300 120.570 -0.044 0.000 2.533 603 I HA 0.377 4.547 4.170 0.000 0.000 0.284 603 I C 1.744 177.939 176.117 0.131 0.000 1.109 603 I CA 1.299 62.606 61.300 0.013 0.000 1.412 603 I CB 0.622 38.586 38.000 -0.060 0.000 1.396 603 I HN 0.786 nan 8.210 nan 0.000 0.543 604 G N 4.337 113.191 108.800 0.089 0.000 2.162 604 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 604 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 604 G C 0.184 175.087 174.900 0.005 0.000 0.976 604 G CA -0.183 44.936 45.100 0.032 0.000 0.655 604 G HN 0.458 nan 8.290 nan 0.000 0.533 605 V N 1.195 121.120 119.914 0.020 0.000 2.521 605 V HA 0.541 4.661 4.120 0.000 0.000 0.286 605 V C 1.588 177.677 176.094 -0.008 0.000 1.034 605 V CA 0.640 62.947 62.300 0.012 0.000 1.045 605 V CB 0.851 32.680 31.823 0.011 0.000 0.974 605 V HN 0.583 nan 8.190 nan 0.000 0.480 606 G N 3.600 112.394 108.800 -0.010 0.000 2.928 606 G HA2 0.243 4.203 3.960 0.000 0.000 0.163 606 G HA3 0.243 4.203 3.960 0.000 0.000 0.163 606 G C 0.421 175.316 174.900 -0.008 0.000 1.573 606 G CA -0.066 45.024 45.100 -0.017 0.000 1.084 606 G HN 0.638 nan 8.290 nan 0.000 0.569 607 E N -0.758 119.438 120.200 -0.007 0.000 2.472 607 E HA 0.386 4.737 4.350 0.000 0.000 0.196 607 E C 0.709 177.311 176.600 0.002 0.000 1.033 607 E CA 0.633 57.031 56.400 -0.003 0.000 0.886 607 E CB 1.067 30.764 29.700 -0.005 0.000 0.944 607 E HN 0.651 nan 8.360 nan 0.000 0.492 608 G N -0.337 108.466 108.800 0.005 0.000 2.356 608 G HA2 0.164 4.124 3.960 0.000 0.000 0.294 608 G HA3 0.164 4.124 3.960 0.000 0.000 0.294 608 G C -2.424 172.485 174.900 0.015 0.000 1.423 608 G CA -0.795 44.311 45.100 0.010 0.000 0.806 608 G HN -0.248 nan 8.290 nan 0.000 0.527 609 P HA 0.015 nan 4.420 nan 0.000 0.223 609 P C 0.577 177.891 177.300 0.023 0.000 1.151 609 P CA 1.503 64.617 63.100 0.024 0.000 0.787 609 P CB 0.198 31.912 31.700 0.022 0.000 0.788 610 D N -1.141 119.269 120.400 0.017 0.000 2.340 610 D HA -0.039 4.601 4.640 0.000 0.000 0.217 610 D C 0.145 176.453 176.300 0.014 0.000 1.081 610 D CA -0.092 53.918 54.000 0.016 0.000 0.842 610 D CB -0.691 40.117 40.800 0.012 0.000 0.934 610 D HN 0.004 nan 8.370 nan 0.000 0.511 611 D N 1.323 121.731 120.400 0.013 0.000 2.608 611 D HA 0.198 4.838 4.640 0.000 0.000 0.224 611 D C 1.064 177.370 176.300 0.010 0.000 1.123 611 D CA -0.323 53.681 54.000 0.007 0.000 1.030 611 D CB 0.265 41.065 40.800 0.000 0.000 1.093 611 D HN 0.132 nan 8.370 nan 0.000 0.497 612 A N 2.613 125.443 122.820 0.016 0.000 2.276 612 A HA -0.121 4.199 4.320 0.000 0.000 0.205 612 A C 1.624 179.220 177.584 0.019 0.000 1.234 612 A CA 0.638 52.690 52.037 0.026 0.000 0.797 612 A CB -0.081 18.936 19.000 0.029 0.000 0.769 612 A HN 0.405 nan 8.150 nan 0.000 0.491 613 D N -0.876 119.524 120.400 0.001 0.000 2.380 613 D HA 0.327 4.967 4.640 0.000 0.000 0.212 613 D C 0.942 177.211 176.300 -0.052 0.000 1.021 613 D CA 0.731 54.721 54.000 -0.017 0.000 0.884 613 D CB 0.077 40.864 40.800 -0.022 0.000 1.001 613 D HN 0.365 nan 8.370 nan 0.000 0.506 614 A N 1.162 123.952 122.820 -0.050 0.000 2.488 614 A HA 0.239 4.559 4.320 0.000 0.000 0.249 614 A C -1.375 176.128 177.584 -0.134 0.000 1.083 614 A CA -0.871 51.111 52.037 -0.093 0.000 0.768 614 A CB 0.341 19.313 19.000 -0.047 0.000 1.017 614 A HN 0.094 nan 8.150 nan 0.000 0.496 615 P HA -0.202 nan 4.420 nan 0.000 0.218 615 P C 1.417 178.600 177.300 -0.194 0.000 1.148 615 P CA 1.950 64.674 63.100 -0.627 0.000 0.822 615 P CB 0.112 30.895 31.700 -1.529 0.000 0.784 616 A N -0.009 122.792 122.820 -0.031 0.000 1.933 616 A HA -0.103 4.217 4.320 0.000 0.000 0.218 616 A C 2.467 180.147 177.584 0.161 0.000 1.175 616 A CA 1.728 53.868 52.037 0.172 0.000 0.628 616 A CB -1.576 17.510 19.000 0.142 0.000 0.814 616 A HN 0.085 nan 8.150 nan 0.000 0.444 617 V N -0.017 119.955 119.914 0.095 0.000 2.379 617 V HA -0.223 3.897 4.120 0.000 0.000 0.245 617 V C 2.404 178.583 176.094 0.141 0.000 1.044 617 V CA 2.201 64.562 62.300 0.103 0.000 1.036 617 V CB -0.606 31.255 31.823 0.063 0.000 0.664 617 V HN 0.533 nan 8.190 nan 0.000 0.453 618 K N 0.396 120.891 120.400 0.160 0.000 2.057 618 K HA -0.115 4.205 4.320 0.000 0.000 0.207 618 K C 2.336 179.111 176.600 0.292 0.000 1.049 618 K CA 1.458 57.880 56.287 0.226 0.000 0.931 618 K CB -0.424 32.256 32.500 0.299 0.000 0.714 618 K HN 0.459 nan 8.250 nan 0.000 0.440 619 A N 1.630 124.665 122.820 0.358 0.000 1.858 619 A HA -0.154 4.166 4.320 0.000 0.000 0.216 619 A C 2.152 179.913 177.584 0.295 0.000 1.190 619 A CA 1.354 53.620 52.037 0.382 0.000 0.617 619 A CB -0.757 18.530 19.000 0.479 0.000 0.827 619 A HN 0.163 nan 8.150 nan 0.000 0.443 620 L N -0.561 120.816 121.223 0.256 0.000 2.083 620 L HA -0.191 4.150 4.340 0.000 0.000 0.209 620 L C 2.048 179.027 176.870 0.182 0.000 1.083 620 L CA 1.345 56.313 54.840 0.212 0.000 0.752 620 L CB -0.683 41.494 42.059 0.196 0.000 0.899 620 L HN 0.322 nan 8.230 nan 0.000 0.433 621 D N -0.440 120.061 120.400 0.168 0.000 2.117 621 D HA -0.134 4.506 4.640 0.000 0.000 0.197 621 D C 2.410 178.787 176.300 0.128 0.000 0.987 621 D CA 1.266 55.348 54.000 0.137 0.000 0.829 621 D CB -0.035 40.840 40.800 0.125 0.000 0.961 621 D HN 0.126 nan 8.370 nan 0.000 0.460 622 S N -0.045 115.754 115.700 0.166 0.000 2.368 622 S HA -0.103 4.367 4.470 0.000 0.000 0.225 622 S C 2.323 176.934 174.600 0.019 0.000 1.030 622 S CA 0.487 58.771 58.200 0.140 0.000 0.999 622 S CB -0.220 63.162 63.200 0.303 0.000 0.844 622 S HN 0.077 nan 8.310 nan 0.000 0.459 623 V N 2.506 122.447 119.914 0.045 0.000 2.255 623 V HA -0.247 3.873 4.120 0.000 0.000 0.247 623 V C 2.287 178.364 176.094 -0.029 0.000 1.051 623 V CA 2.177 64.468 62.300 -0.015 0.000 1.018 623 V CB -0.945 30.898 31.823 0.034 0.000 0.641 623 V HN 0.506 nan 8.190 nan 0.000 0.445 624 N N 0.043 118.783 118.700 0.066 0.000 2.069 624 N HA -0.246 4.494 4.740 0.000 0.000 0.191 624 N C 1.812 177.331 175.510 0.015 0.000 1.031 624 N CA 1.940 55.057 53.050 0.111 0.000 0.852 624 N CB -0.162 38.434 38.487 0.181 0.000 1.018 624 N HN 0.509 nan 8.380 nan 0.000 0.423 625 E N -0.261 119.934 120.200 -0.008 0.000 2.072 625 E HA -0.007 4.343 4.350 0.000 0.000 0.190 625 E C 1.734 178.240 176.600 -0.156 0.000 0.982 625 E CA 1.359 57.728 56.400 -0.053 0.000 0.803 625 E CB -0.045 29.647 29.700 -0.014 0.000 0.755 625 E HN 0.511 nan 8.360 nan 0.000 0.453 626 M N -0.830 118.650 119.600 -0.200 0.000 2.486 626 M HA 0.169 4.649 4.480 0.000 0.000 0.264 626 M C 1.363 177.393 176.300 -0.451 0.000 1.125 626 M CA 0.507 55.575 55.300 -0.388 0.000 1.144 626 M CB 0.480 32.900 32.600 -0.299 0.000 1.353 626 M HN 0.050 nan 8.290 nan 0.000 0.466 627 L N -0.874 120.187 121.223 -0.271 0.000 2.701 627 L HA 0.337 4.677 4.340 0.000 0.000 0.238 627 L C 1.137 177.890 176.870 -0.194 0.000 1.106 627 L CA -0.525 54.179 54.840 -0.227 0.000 0.898 627 L CB -0.134 41.817 42.059 -0.180 0.000 1.188 627 L HN 0.152 nan 8.230 nan 0.000 0.508 628 G N 0.848 109.548 108.800 -0.166 0.000 2.442 628 G HA2 0.388 4.348 3.960 0.000 0.000 0.249 628 G HA3 0.388 4.348 3.960 0.000 0.000 0.249 628 G C -0.083 174.752 174.900 -0.108 0.000 1.263 628 G CA 0.355 45.386 45.100 -0.115 0.000 0.846 628 G HN 0.141 nan 8.290 nan 0.000 0.555 629 T N -0.441 114.061 114.554 -0.086 0.000 2.816 629 T HA 0.546 4.897 4.350 0.000 0.000 0.299 629 T C -2.373 172.266 174.700 -0.101 0.000 1.230 629 T CA -1.284 60.766 62.100 -0.083 0.000 1.007 629 T CB 2.098 70.934 68.868 -0.054 0.000 1.289 629 T HN 0.103 nan 8.240 nan 0.000 0.508 630 P HA 0.066 nan 4.420 nan 0.000 0.225 630 P C 0.496 177.575 177.300 -0.369 0.000 1.148 630 P CA 1.066 63.987 63.100 -0.298 0.000 0.779 630 P CB -0.129 31.322 31.700 -0.414 0.000 0.780 631 H N -2.286 116.755 119.070 -0.048 0.000 2.586 631 H HA 0.467 5.023 4.556 0.000 0.000 0.273 631 H C 1.095 176.387 175.328 -0.061 0.000 0.997 631 H CA 0.265 56.283 56.048 -0.049 0.000 1.177 631 H CB 0.366 30.100 29.762 -0.046 0.000 1.471 631 H HN 0.095 nan 8.280 nan 0.000 0.538 632 G N 0.108 108.909 108.800 0.002 0.000 2.347 632 G HA2 -0.053 3.907 3.960 0.000 0.000 0.341 632 G HA3 -0.053 3.907 3.960 0.000 0.000 0.341 632 G C -1.652 173.188 174.900 -0.101 0.000 1.287 632 G CA -1.134 43.937 45.100 -0.049 0.000 0.984 632 G HN 0.084 nan 8.290 nan 0.000 0.526 633 L N 0.913 122.039 121.223 -0.162 0.000 2.275 633 L HA 0.601 4.941 4.340 0.000 0.000 0.288 633 L C 1.286 178.081 176.870 -0.126 0.000 1.046 633 L CA -1.206 53.521 54.840 -0.188 0.000 0.805 633 L CB 1.218 43.101 42.059 -0.293 0.000 1.193 633 L HN 0.779 nan 8.230 nan 0.000 0.426 634 V N 1.426 121.269 119.914 -0.118 0.000 3.051 634 V HA 0.074 4.194 4.120 0.000 0.000 0.306 634 V C 1.249 177.285 176.094 -0.097 0.000 1.083 634 V CA -0.245 61.997 62.300 -0.097 0.000 1.104 634 V CB 1.356 33.118 31.823 -0.103 0.000 1.027 634 V HN 0.869 nan 8.190 nan 0.000 0.483 635 L N 0.895 122.068 121.223 -0.083 0.000 2.017 635 L HA -0.023 4.317 4.340 0.000 0.000 0.208 635 L C 1.336 178.080 176.870 -0.209 0.000 1.073 635 L CA 1.970 56.754 54.840 -0.093 0.000 0.745 635 L CB -0.154 41.853 42.059 -0.086 0.000 0.894 635 L HN 1.101 nan 8.230 nan 0.000 0.432 636 Q N -1.967 117.631 119.800 -0.337 0.000 2.565 636 Q HA 0.230 4.570 4.340 0.000 0.000 0.294 636 Q C -1.840 173.989 176.000 -0.286 0.000 1.005 636 Q CA -0.747 54.774 55.803 -0.471 0.000 0.771 636 Q CB 1.819 29.860 28.738 -1.161 0.000 1.486 636 Q HN 0.064 nan 8.270 nan 0.000 0.422 637 Y N 0.304 120.355 120.300 -0.416 0.000 2.441 637 Y HA 0.558 5.109 4.550 0.000 0.000 0.334 637 Y C -2.964 172.754 175.900 -0.304 0.000 1.061 637 Y CA -1.657 56.246 58.100 -0.328 0.000 1.032 637 Y CB 2.737 41.037 38.460 -0.266 0.000 1.266 637 Y HN 0.497 nan 8.280 nan 0.000 0.441 638 P HA 0.426 nan 4.420 nan 0.000 0.276 638 P C -1.161 175.769 177.300 -0.617 0.000 1.261 638 P CA -0.300 62.156 63.100 -1.074 0.000 0.800 638 P CB 0.865 31.985 31.700 -0.966 0.000 1.066 639 A N 0.676 123.254 122.820 -0.404 0.000 2.366 639 A HA 0.281 4.601 4.320 0.000 0.000 0.249 639 A C -0.709 176.679 177.584 -0.327 0.000 1.084 639 A CA 0.019 51.862 52.037 -0.323 0.000 0.794 639 A CB -0.565 18.352 19.000 -0.139 0.000 1.034 639 A HN 0.435 nan 8.150 nan 0.000 0.491 640 Y N 0.293 120.542 120.300 -0.084 0.000 2.377 640 Y HA 0.241 4.791 4.550 0.000 0.000 0.330 640 Y C 1.875 177.774 175.900 -0.002 0.000 1.108 640 Y CA 0.952 59.034 58.100 -0.031 0.000 1.308 640 Y CB 0.942 39.405 38.460 0.005 0.000 1.216 640 Y HN 0.746 nan 8.280 nan 0.000 0.518 641 T N -2.835 111.800 114.554 0.136 0.000 3.040 641 T HA 0.159 4.509 4.350 0.000 0.000 0.250 641 T C 0.333 175.101 174.700 0.113 0.000 1.058 641 T CA 0.388 62.545 62.100 0.095 0.000 0.988 641 T CB -0.190 68.704 68.868 0.044 0.000 0.993 641 T HN 0.632 nan 8.240 nan 0.000 0.519 642 T N -1.254 113.389 114.554 0.148 0.000 2.900 642 T HA 0.480 4.831 4.350 0.000 0.000 0.303 642 T C -1.007 173.800 174.700 0.178 0.000 1.142 642 T CA -1.042 61.143 62.100 0.141 0.000 1.007 642 T CB 1.317 70.250 68.868 0.109 0.000 1.156 642 T HN 0.237 nan 8.240 nan 0.000 0.490 643 Y N 2.274 122.587 120.300 0.022 0.000 2.677 643 Y HA 0.158 4.708 4.550 0.000 0.000 0.335 643 Y C 0.208 176.087 175.900 -0.034 0.000 1.162 643 Y CA -0.486 57.608 58.100 -0.011 0.000 1.483 643 Y CB 0.461 38.925 38.460 0.006 0.000 1.209 643 Y HN 0.485 nan 8.280 nan 0.000 0.528 644 Q N 8.327 127.934 119.800 -0.323 0.000 2.509 644 Q HA 0.061 4.401 4.340 0.000 0.000 0.230 644 Q C 1.201 176.751 176.000 -0.751 0.000 1.089 644 Q CA -0.136 55.402 55.803 -0.442 0.000 0.901 644 Q CB 1.161 29.654 28.738 -0.407 0.000 1.208 644 Q HN 0.887 nan 8.270 nan 0.000 0.529 645 I N 2.488 122.515 120.570 -0.905 0.000 2.315 645 I HA -0.279 3.891 4.170 0.000 0.000 0.251 645 I C 1.781 177.507 176.117 -0.652 0.000 1.125 645 I CA 1.841 62.624 61.300 -0.861 0.000 1.392 645 I CB 0.097 37.834 38.000 -0.438 0.000 1.065 645 I HN 0.616 nan 8.210 nan 0.000 0.424 646 E N 0.656 120.511 120.200 -0.576 0.000 2.481 646 E HA -0.135 4.215 4.350 0.000 0.000 0.195 646 E C 1.735 178.001 176.600 -0.557 0.000 1.047 646 E CA 0.581 56.506 56.400 -0.791 0.000 0.867 646 E CB -0.444 29.095 29.700 -0.270 0.000 0.858 646 E HN 0.557 nan 8.360 nan 0.000 0.513 647 L N -0.066 120.906 121.223 -0.417 0.000 2.616 647 L HA 0.316 4.656 4.340 0.000 0.000 0.229 647 L C 1.318 178.044 176.870 -0.239 0.000 1.110 647 L CA 0.137 54.803 54.840 -0.290 0.000 0.884 647 L CB 0.112 41.998 42.059 -0.288 0.000 1.115 647 L HN 0.326 nan 8.230 nan 0.000 0.481 648 G N 1.232 109.886 108.800 -0.245 0.000 2.496 648 G HA2 -0.360 3.600 3.960 0.000 0.000 0.243 648 G HA3 -0.360 3.600 3.960 0.000 0.000 0.243 648 G C 0.519 175.072 174.900 -0.578 0.000 1.176 648 G CA 0.389 45.373 45.100 -0.194 0.000 0.940 648 G HN 0.263 nan 8.290 nan 0.000 0.573 649 E N -0.347 119.287 120.200 -0.943 0.000 2.152 649 E HA 0.051 4.401 4.350 0.000 0.000 0.192 649 E C 2.612 178.953 176.600 -0.432 0.000 0.983 649 E CA 1.614 57.301 56.400 -1.188 0.000 0.818 649 E CB -0.114 29.103 29.700 -0.804 0.000 0.758 649 E HN 0.793 nan 8.360 nan 0.000 0.467 650 V N 1.265 121.069 119.914 -0.183 0.000 2.233 650 V HA -0.344 3.776 4.120 0.000 0.000 0.252 650 V C 2.123 178.250 176.094 0.055 0.000 1.063 650 V CA 2.820 65.127 62.300 0.012 0.000 1.032 650 V CB -0.576 31.295 31.823 0.079 0.000 0.645 650 V HN 0.579 nan 8.190 nan 0.000 0.446 651 S N -0.910 114.768 115.700 -0.037 0.000 2.607 651 S HA -0.082 4.388 4.470 0.000 0.000 0.224 651 S C 1.631 176.283 174.600 0.086 0.000 0.969 651 S CA 1.015 59.251 58.200 0.059 0.000 0.927 651 S CB -0.574 62.609 63.200 -0.029 0.000 0.772 651 S HN 0.908 nan 8.310 nan 0.000 0.533 652 T N -2.284 112.244 114.554 -0.042 0.000 3.088 652 T HA 0.175 4.525 4.350 0.000 0.000 0.259 652 T C 0.249 174.855 174.700 -0.155 0.000 1.122 652 T CA -0.136 61.869 62.100 -0.159 0.000 1.095 652 T CB -0.653 68.025 68.868 -0.318 0.000 0.930 652 T HN 0.443 nan 8.240 nan 0.000 0.508 653 Y N 2.374 122.676 120.300 0.003 0.000 2.304 653 Y HA 0.434 4.984 4.550 0.000 0.000 0.328 653 Y C -2.244 173.705 175.900 0.081 0.000 1.123 653 Y CA -2.794 55.330 58.100 0.040 0.000 1.218 653 Y CB 0.815 39.314 38.460 0.066 0.000 1.207 653 Y HN 0.046 nan 8.280 nan 0.000 0.495 654 P HA 0.010 nan 4.420 nan 0.000 0.269 654 P C -2.519 174.961 177.300 0.300 0.000 1.209 654 P CA -1.043 62.196 63.100 0.231 0.000 0.776 654 P CB 0.002 31.816 31.700 0.190 0.000 0.876 655 P HA -0.078 nan 4.420 nan 0.000 0.261 655 P C 0.902 178.206 177.300 0.006 0.000 1.173 655 P CA 1.349 64.503 63.100 0.089 0.000 0.760 655 P CB 0.003 31.725 31.700 0.038 0.000 0.783 656 G N 1.868 110.608 108.800 -0.101 0.000 2.195 656 G HA2 -0.207 3.753 3.960 0.000 0.000 0.224 656 G HA3 -0.207 3.753 3.960 0.000 0.000 0.224 656 G C -0.500 174.105 174.900 -0.491 0.000 0.990 656 G CA -0.388 44.519 45.100 -0.322 0.000 0.639 656 G HN 0.488 nan 8.290 nan 0.000 0.514 657 Y N 0.734 120.999 120.300 -0.057 0.000 2.429 657 Y HA 0.646 5.196 4.550 0.000 0.000 0.342 657 Y C 1.236 176.975 175.900 -0.268 0.000 1.004 657 Y CA -0.602 57.425 58.100 -0.120 0.000 1.075 657 Y CB 1.361 39.788 38.460 -0.056 0.000 1.214 657 Y HN 0.142 nan 8.280 nan 0.000 0.455 658 K N 0.348 120.655 120.400 -0.155 0.000 2.020 658 K HA -0.329 3.991 4.320 0.000 0.000 0.142 658 K C 0.895 177.455 176.600 -0.066 0.000 1.458 658 K CA 1.683 57.830 56.287 -0.234 0.000 0.544 658 K CB -0.727 31.198 32.500 -0.958 0.000 0.566 658 K HN 0.898 nan 8.250 nan 0.000 0.927 659 E N 1.447 121.515 120.200 -0.218 0.000 2.401 659 E HA -0.052 4.298 4.350 0.000 0.000 0.199 659 E C 0.874 177.397 176.600 -0.129 0.000 1.023 659 E CA 0.602 56.894 56.400 -0.180 0.000 0.859 659 E CB -0.196 29.378 29.700 -0.209 0.000 0.780 659 E HN 0.301 nan 8.360 nan 0.000 0.523 660 N N -0.380 118.274 118.700 -0.077 0.000 3.091 660 N HA 0.165 4.905 4.740 0.000 0.000 0.255 660 N C -0.031 175.441 175.510 -0.064 0.000 1.204 660 N CA 0.332 53.372 53.050 -0.017 0.000 0.990 660 N CB 0.242 38.818 38.487 0.149 0.000 1.260 660 N HN 0.201 nan 8.380 nan 0.000 0.502 661 G N 1.304 110.021 108.800 -0.138 0.000 2.175 661 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 661 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 661 G C 0.393 175.217 174.900 -0.126 0.000 0.982 661 G CA -0.136 44.885 45.100 -0.132 0.000 0.641 661 G HN 0.669 nan 8.290 nan 0.000 0.527 662 G N -0.602 108.137 108.800 -0.102 0.000 2.504 662 G HA2 0.577 4.537 3.960 0.000 0.000 0.288 662 G HA3 0.577 4.537 3.960 0.000 0.000 0.288 662 G C 0.171 175.041 174.900 -0.049 0.000 1.182 662 G CA -0.824 44.212 45.100 -0.108 0.000 0.894 662 G HN 0.595 nan 8.290 nan 0.000 0.521 663 I N 0.817 121.339 120.570 -0.081 0.000 2.294 663 I HA 0.110 4.280 4.170 0.000 0.000 0.295 663 I C -0.602 175.493 176.117 -0.037 0.000 1.098 663 I CA -0.112 61.157 61.300 -0.051 0.000 1.277 663 I CB 0.418 38.375 38.000 -0.070 0.000 1.434 663 I HN 0.223 nan 8.210 nan 0.000 0.498 664 F N 6.100 126.004 119.950 -0.077 0.000 2.451 664 F HA 0.161 4.688 4.527 0.000 0.000 0.356 664 F C 1.530 177.307 175.800 -0.038 0.000 1.178 664 F CA -0.201 57.781 58.000 -0.030 0.000 1.210 664 F CB 0.319 39.352 39.000 0.056 0.000 1.504 664 F HN 0.606 nan 8.300 nan 0.000 0.598 665 C N 1.259 120.530 119.300 -0.049 0.000 2.391 665 C HA -0.319 4.141 4.460 0.000 0.000 0.276 665 C C 2.857 177.811 174.990 -0.060 0.000 1.191 665 C CA 1.955 60.942 59.018 -0.051 0.000 1.808 665 C CB -1.716 25.993 27.740 -0.051 0.000 2.095 665 C HN 0.924 nan 8.230 nan 0.000 0.478 666 H N 2.412 121.429 119.070 -0.089 0.000 2.319 666 H HA -0.184 4.372 4.556 0.000 0.000 0.297 666 H C 1.890 176.749 175.328 -0.780 0.000 1.097 666 H CA 2.112 58.036 56.048 -0.206 0.000 1.285 666 H CB -0.139 29.717 29.762 0.157 0.000 1.368 666 H HN 0.708 nan 8.280 nan 0.000 0.495 667 N N -0.398 117.950 118.700 -0.586 0.000 2.461 667 N HA -0.064 4.676 4.740 0.000 0.000 0.188 667 N C 0.929 176.120 175.510 -0.532 0.000 1.134 667 N CA 0.683 53.066 53.050 -1.112 0.000 0.878 667 N CB -0.225 37.760 38.487 -0.837 0.000 0.972 667 N HN 0.321 nan 8.380 nan 0.000 0.456 668 N N 0.930 119.431 118.700 -0.332 0.000 2.216 668 N HA 0.017 4.757 4.740 0.000 0.000 0.183 668 N C -1.124 174.312 175.510 -0.122 0.000 1.017 668 N CA 0.686 53.622 53.050 -0.190 0.000 0.861 668 N CB -1.015 37.389 38.487 -0.137 0.000 0.986 668 N HN 0.308 nan 8.380 nan 0.000 0.428 669 P HA -0.072 nan 4.420 nan 0.000 0.222 669 P C 0.722 178.077 177.300 0.092 0.000 1.147 669 P CA 0.801 63.907 63.100 0.010 0.000 0.790 669 P CB -0.019 31.711 31.700 0.052 0.000 0.780 670 W N -0.966 120.255 121.300 -0.132 0.000 2.388 670 W HA -0.030 4.630 4.660 0.000 0.000 0.294 670 W C 2.004 178.468 176.519 -0.091 0.000 1.212 670 W CA 0.488 57.724 57.345 -0.182 0.000 1.271 670 W CB -1.604 27.758 29.460 -0.163 0.000 1.126 670 W HN -0.174 nan 8.180 nan 0.000 0.535 671 V N 0.407 120.422 119.914 0.168 0.000 2.453 671 V HA -0.249 3.871 4.120 0.000 0.000 0.247 671 V C 2.130 178.339 176.094 0.191 0.000 1.048 671 V CA 1.236 63.620 62.300 0.140 0.000 1.049 671 V CB -0.739 31.104 31.823 0.034 0.000 0.672 671 V HN 0.013 nan 8.190 nan 0.000 0.457 672 I N -0.058 120.632 120.570 0.199 0.000 2.127 672 I HA -0.286 3.884 4.170 0.000 0.000 0.241 672 I C 2.314 178.514 176.117 0.137 0.000 1.075 672 I CA 1.998 63.440 61.300 0.236 0.000 1.334 672 I CB -0.346 37.797 38.000 0.238 0.000 1.040 672 I HN 0.221 nan 8.210 nan 0.000 0.405 673 I N 0.732 121.341 120.570 0.066 0.000 2.226 673 I HA -0.290 3.880 4.170 0.000 0.000 0.245 673 I C 2.824 178.880 176.117 -0.103 0.000 1.100 673 I CA 1.297 62.529 61.300 -0.113 0.000 1.374 673 I CB -0.562 37.260 38.000 -0.296 0.000 1.057 673 I HN 0.206 nan 8.210 nan 0.000 0.413 674 A N 0.472 123.273 122.820 -0.032 0.000 1.908 674 A HA -0.216 4.104 4.320 0.000 0.000 0.218 674 A C 2.238 179.848 177.584 0.043 0.000 1.181 674 A CA 1.593 53.626 52.037 -0.007 0.000 0.627 674 A CB -0.459 18.571 19.000 0.049 0.000 0.818 674 A HN 0.359 nan 8.150 nan 0.000 0.445 675 E N -0.369 119.885 120.200 0.090 0.000 2.153 675 E HA -0.142 4.208 4.350 0.000 0.000 0.194 675 E C 2.299 178.937 176.600 0.063 0.000 0.988 675 E CA 1.760 58.215 56.400 0.093 0.000 0.811 675 E CB -0.608 29.163 29.700 0.118 0.000 0.746 675 E HN 0.869 nan 8.360 nan 0.000 0.466 676 T N -1.565 113.025 114.554 0.059 0.000 2.904 676 T HA -0.031 4.319 4.350 0.000 0.000 0.267 676 T C 2.184 176.920 174.700 0.061 0.000 1.059 676 T CA 0.824 62.966 62.100 0.070 0.000 1.137 676 T CB -0.465 68.475 68.868 0.119 0.000 0.879 676 T HN -0.078 nan 8.240 nan 0.000 0.467 677 V N 1.536 121.468 119.914 0.030 0.000 2.295 677 V HA -0.107 4.013 4.120 0.000 0.000 0.246 677 V C 2.879 178.991 176.094 0.030 0.000 1.049 677 V CA 1.451 63.765 62.300 0.024 0.000 1.024 677 V CB -0.591 31.219 31.823 -0.022 0.000 0.648 677 V HN 0.413 nan 8.190 nan 0.000 0.447 678 V N 0.215 120.149 119.914 0.034 0.000 3.141 678 V HA 0.148 4.268 4.120 0.000 0.000 0.265 678 V C 1.699 177.814 176.094 0.034 0.000 1.126 678 V CA 1.394 63.716 62.300 0.038 0.000 1.141 678 V CB -0.669 31.186 31.823 0.053 0.000 0.743 678 V HN 0.821 nan 8.190 nan 0.000 0.492 679 G N 0.968 109.789 108.800 0.036 0.000 2.140 679 G HA2 -0.232 3.728 3.960 0.000 0.000 0.211 679 G HA3 -0.232 3.728 3.960 0.000 0.000 0.211 679 G C 0.203 175.119 174.900 0.027 0.000 1.013 679 G CA -0.198 44.921 45.100 0.030 0.000 0.705 679 G HN 0.487 nan 8.290 nan 0.000 0.508 680 R N 0.426 120.944 120.500 0.030 0.000 3.301 680 R HA 0.391 4.731 4.340 0.000 0.000 0.286 680 R C 1.862 178.171 176.300 0.014 0.000 1.386 680 R CA 0.052 56.163 56.100 0.018 0.000 1.607 680 R CB 0.512 30.821 30.300 0.016 0.000 1.305 680 R HN 0.281 nan 8.270 nan 0.000 0.637 681 G N 0.991 109.804 108.800 0.021 0.000 2.469 681 G HA2 -0.343 3.617 3.960 0.000 0.000 0.220 681 G HA3 -0.343 3.617 3.960 0.000 0.000 0.220 681 G C 1.412 176.336 174.900 0.039 0.000 1.136 681 G CA 1.076 46.192 45.100 0.027 0.000 0.759 681 G HN 0.501 nan 8.290 nan 0.000 0.562 682 A N 0.240 123.075 122.820 0.024 0.000 1.877 682 A HA -0.110 4.210 4.320 0.000 0.000 0.216 682 A C 2.291 179.863 177.584 -0.021 0.000 1.186 682 A CA 2.093 54.152 52.037 0.037 0.000 0.620 682 A CB -0.509 18.499 19.000 0.014 0.000 0.822 682 A HN 0.466 nan 8.150 nan 0.000 0.443 683 Q N -0.752 118.986 119.800 -0.104 0.000 2.119 683 Q HA -0.028 4.312 4.340 0.000 0.000 0.201 683 Q C 2.137 177.897 176.000 -0.400 0.000 0.972 683 Q CA 1.406 57.025 55.803 -0.306 0.000 0.847 683 Q CB -0.341 28.220 28.738 -0.294 0.000 0.903 683 Q HN 0.608 nan 8.270 nan 0.000 0.433 684 A N 0.262 123.010 122.820 -0.119 0.000 1.877 684 A HA -0.192 4.128 4.320 0.000 0.000 0.216 684 A C 1.844 179.507 177.584 0.132 0.000 1.186 684 A CA 1.313 53.372 52.037 0.036 0.000 0.620 684 A CB -1.010 18.049 19.000 0.099 0.000 0.822 684 A HN 0.605 nan 8.150 nan 0.000 0.443 685 F N 1.486 121.407 119.950 -0.049 0.000 2.216 685 F HA -0.151 4.376 4.527 0.000 0.000 0.300 685 F C 1.824 177.618 175.800 -0.010 0.000 1.085 685 F CA 1.645 59.634 58.000 -0.017 0.000 1.326 685 F CB -0.510 38.459 39.000 -0.052 0.000 1.027 685 F HN 0.432 nan 8.300 nan 0.000 0.497 686 D N -0.738 119.571 120.400 -0.150 0.000 2.084 686 D HA -0.270 4.370 4.640 0.000 0.000 0.194 686 D C 2.172 178.388 176.300 -0.140 0.000 0.990 686 D CA 1.853 55.692 54.000 -0.267 0.000 0.826 686 D CB -0.595 40.039 40.800 -0.276 0.000 0.971 686 D HN 0.283 nan 8.370 nan 0.000 0.453 687 Y N -0.458 119.809 120.300 -0.055 0.000 2.207 687 Y HA -0.135 4.415 4.550 0.000 0.000 0.287 687 Y C 2.307 178.186 175.900 -0.034 0.000 1.156 687 Y CA 0.840 58.917 58.100 -0.037 0.000 1.182 687 Y CB -1.532 36.938 38.460 0.017 0.000 0.979 687 Y HN 0.175 nan 8.280 nan 0.000 0.521 688 Y N 1.225 121.551 120.300 0.043 0.000 2.128 688 Y HA -0.252 4.298 4.550 0.000 0.000 0.284 688 Y C 2.144 177.957 175.900 -0.145 0.000 1.154 688 Y CA 1.930 60.032 58.100 0.002 0.000 1.149 688 Y CB -0.389 38.105 38.460 0.057 0.000 0.976 688 Y HN -0.012 nan 8.280 nan 0.000 0.505 689 K N -0.059 120.038 120.400 -0.506 0.000 2.211 689 K HA -0.125 4.195 4.320 0.000 0.000 0.203 689 K C 2.103 178.445 176.600 -0.430 0.000 1.050 689 K CA 1.245 57.020 56.287 -0.854 0.000 0.945 689 K CB -0.141 31.651 32.500 -1.181 0.000 0.732 689 K HN 0.381 nan 8.250 nan 0.000 0.451 690 R N 0.818 121.173 120.500 -0.241 0.000 2.120 690 R HA -0.085 4.255 4.340 0.000 0.000 0.234 690 R C 2.182 178.429 176.300 -0.088 0.000 1.123 690 R CA 1.390 57.415 56.100 -0.124 0.000 0.975 690 R CB -0.276 29.997 30.300 -0.046 0.000 0.866 690 R HN 0.378 nan 8.270 nan 0.000 0.446 691 I N -3.289 117.222 120.570 -0.098 0.000 4.082 691 I HA 0.230 4.400 4.170 0.000 0.000 0.337 691 I C -0.247 175.821 176.117 -0.081 0.000 1.352 691 I CA -0.251 61.025 61.300 -0.040 0.000 1.097 691 I CB 0.822 38.844 38.000 0.038 0.000 1.048 691 I HN -0.276 nan 8.210 nan 0.000 0.393 692 T N 4.058 118.484 114.554 -0.213 0.000 2.817 692 T HA 0.238 4.588 4.350 0.000 0.000 0.293 692 T C -1.652 172.820 174.700 -0.381 0.000 0.964 692 T CA -0.712 61.165 62.100 -0.371 0.000 1.085 692 T CB 1.490 70.087 68.868 -0.451 0.000 0.921 692 T HN -0.000 nan 8.240 nan 0.000 0.502 693 P HA -0.270 nan 4.420 nan 0.000 0.216 693 P C 1.509 178.624 177.300 -0.310 0.000 1.167 693 P CA 1.621 64.398 63.100 -0.539 0.000 0.933 693 P CB 0.040 31.384 31.700 -0.595 0.000 0.793 694 A N -2.052 120.594 122.820 -0.291 0.000 1.986 694 A HA -0.244 4.076 4.320 0.000 0.000 0.220 694 A C 1.971 179.360 177.584 -0.326 0.000 1.171 694 A CA 1.835 53.668 52.037 -0.340 0.000 0.640 694 A CB -1.930 16.710 19.000 -0.600 0.000 0.811 694 A HN 0.254 nan 8.150 nan 0.000 0.451 695 Y N -1.303 118.897 120.300 -0.167 0.000 2.519 695 Y HA 0.101 4.651 4.550 0.000 0.000 0.287 695 Y C 2.354 178.180 175.900 -0.124 0.000 1.128 695 Y CA 0.892 58.913 58.100 -0.132 0.000 1.282 695 Y CB 0.085 38.441 38.460 -0.175 0.000 1.027 695 Y HN 0.192 nan 8.280 nan 0.000 0.551 696 R N -0.039 120.429 120.500 -0.054 0.000 2.334 696 R HA 0.001 4.342 4.340 0.000 0.000 0.216 696 R C 1.794 178.034 176.300 -0.101 0.000 0.905 696 R CA 0.117 56.157 56.100 -0.099 0.000 1.064 696 R CB 0.106 30.263 30.300 -0.238 0.000 1.046 696 R HN 0.370 nan 8.270 nan 0.000 0.508 697 E N 1.434 121.589 120.200 -0.075 0.000 2.160 697 E HA -0.218 4.132 4.350 0.000 0.000 0.195 697 E C 0.574 177.208 176.600 0.056 0.000 0.991 697 E CA 1.296 57.682 56.400 -0.022 0.000 0.810 697 E CB 0.155 29.915 29.700 0.100 0.000 0.742 697 E HN 0.193 nan 8.360 nan 0.000 0.466 698 D N 0.414 120.847 120.400 0.056 0.000 2.350 698 D HA -0.096 4.544 4.640 0.000 0.000 0.216 698 D C 1.276 177.624 176.300 0.079 0.000 0.968 698 D CA 0.841 54.881 54.000 0.068 0.000 0.894 698 D CB 0.008 40.840 40.800 0.054 0.000 0.909 698 D HN 0.494 nan 8.370 nan 0.000 0.520 699 I N -2.828 117.794 120.570 0.087 0.000 3.283 699 I HA 0.290 4.460 4.170 0.000 0.000 0.342 699 I C 1.025 177.243 176.117 0.170 0.000 1.510 699 I CA -0.380 60.992 61.300 0.120 0.000 1.006 699 I CB 0.801 38.874 38.000 0.121 0.000 1.596 699 I HN -0.370 nan 8.210 nan 0.000 0.509 700 S N 2.288 118.120 115.700 0.221 0.000 2.402 700 S HA -0.203 4.267 4.470 0.000 0.000 0.233 700 S C 1.670 176.517 174.600 0.413 0.000 1.030 700 S CA 2.237 60.644 58.200 0.345 0.000 1.003 700 S CB -0.341 63.200 63.200 0.568 0.000 0.813 700 S HN 0.840 nan 8.310 nan 0.000 0.477 701 D N 0.309 120.962 120.400 0.423 0.000 2.371 701 D HA -0.029 4.612 4.640 0.000 0.000 0.221 701 D C 1.255 177.672 176.300 0.195 0.000 0.986 701 D CA 0.824 55.034 54.000 0.350 0.000 0.899 701 D CB -0.479 40.519 40.800 0.329 0.000 0.902 701 D HN 0.289 nan 8.370 nan 0.000 0.530 702 T N -0.935 113.720 114.554 0.168 0.000 3.045 702 T HA -0.034 4.316 4.350 0.000 0.000 0.239 702 T C 1.471 176.199 174.700 0.047 0.000 1.008 702 T CA 0.478 62.632 62.100 0.091 0.000 1.143 702 T CB -0.283 68.643 68.868 0.097 0.000 0.894 702 T HN 0.254 nan 8.240 nan 0.000 0.451 703 H N 1.621 120.683 119.070 -0.012 0.000 2.387 703 H HA -0.001 4.555 4.556 0.000 0.000 0.299 703 H C 1.478 176.782 175.328 -0.040 0.000 1.090 703 H CA 1.821 57.824 56.048 -0.073 0.000 1.332 703 H CB 0.054 29.757 29.762 -0.098 0.000 1.386 703 H HN 0.217 nan 8.280 nan 0.000 0.516 704 K N -2.963 117.495 120.400 0.097 0.000 4.378 704 K HA -0.235 4.085 4.320 0.000 0.000 0.416 704 K C 0.025 176.810 176.600 0.308 0.000 0.469 704 K CA 1.470 57.842 56.287 0.142 0.000 1.807 704 K CB -1.517 30.996 32.500 0.022 0.000 0.965 704 K HN 0.124 nan 8.250 nan 0.000 0.530 705 L N 2.074 123.322 121.223 0.042 0.000 2.543 705 L HA 0.165 4.505 4.340 0.000 0.000 0.231 705 L C 0.457 177.090 176.870 -0.395 0.000 1.194 705 L CA 0.242 55.122 54.840 0.067 0.000 0.823 705 L CB 0.076 42.048 42.059 -0.146 0.000 1.374 705 L HN 0.015 nan 8.230 nan 0.000 0.507 706 E N 2.381 122.096 120.200 -0.809 0.000 2.652 706 E HA -0.053 4.298 4.350 0.000 0.000 0.255 706 E C -1.725 174.008 176.600 -1.444 0.000 0.952 706 E CA -0.340 55.074 56.400 -1.644 0.000 0.947 706 E CB 0.067 28.878 29.700 -1.480 0.000 0.912 706 E HN 0.308 nan 8.360 nan 0.000 0.489 707 P HA -0.081 nan 4.420 nan 0.000 0.249 707 P C -0.259 176.443 177.300 -0.997 0.000 1.229 707 P CA 0.740 63.154 63.100 -1.143 0.000 0.788 707 P CB 0.059 31.150 31.700 -1.016 0.000 1.072 708 Y N -1.005 118.685 120.300 -1.016 0.000 2.481 708 Y HA 0.456 5.006 4.550 0.000 0.000 0.247 708 Y C 0.413 175.960 175.900 -0.589 0.000 1.151 708 Y CA -1.182 56.426 58.100 -0.820 0.000 1.238 708 Y CB -0.307 37.388 38.460 -1.276 0.000 1.179 708 Y HN -0.252 nan 8.280 nan 0.000 0.524 709 V N -3.686 115.730 119.914 -0.830 0.000 3.049 709 V HA 0.518 4.638 4.120 0.000 0.000 0.309 709 V C -0.999 174.751 176.094 -0.573 0.000 1.148 709 V CA -1.917 59.974 62.300 -0.683 0.000 0.990 709 V CB 1.135 32.268 31.823 -1.150 0.000 1.039 709 V HN 0.083 nan 8.190 nan 0.000 0.430 710 Y N 1.407 121.526 120.300 -0.303 0.000 2.379 710 Y HA 0.682 5.233 4.550 0.000 0.000 0.337 710 Y C 0.930 176.717 175.900 -0.188 0.000 1.238 710 Y CA 1.065 59.044 58.100 -0.202 0.000 1.405 710 Y CB 1.100 39.493 38.460 -0.113 0.000 1.310 710 Y HN 1.115 nan 8.280 nan 0.000 0.569 711 A N 1.369 124.209 122.820 0.034 0.000 2.346 711 A HA 0.316 4.636 4.320 0.000 0.000 0.313 711 A C 0.739 178.255 177.584 -0.114 0.000 1.140 711 A CA -0.774 51.218 52.037 -0.074 0.000 0.826 711 A CB 1.577 20.485 19.000 -0.153 0.000 1.332 711 A HN 0.847 nan 8.150 nan 0.000 0.457 712 Q N -0.808 118.859 119.800 -0.221 0.000 2.083 712 Q HA -0.002 4.338 4.340 0.000 0.000 0.198 712 Q C 0.204 175.864 176.000 -0.567 0.000 0.969 712 Q CA 1.750 57.341 55.803 -0.353 0.000 0.838 712 Q CB -0.080 28.422 28.738 -0.392 0.000 0.900 712 Q HN 0.800 nan 8.270 nan 0.000 0.436 713 M N -0.834 118.474 119.600 -0.486 0.000 2.421 713 M HA 0.491 4.971 4.480 0.000 0.000 0.287 713 M C -1.924 174.193 176.300 -0.305 0.000 1.183 713 M CA -0.570 54.456 55.300 -0.457 0.000 0.916 713 M CB 2.049 34.304 32.600 -0.575 0.000 1.701 713 M HN -0.096 nan 8.290 nan 0.000 0.470 714 I N 3.042 123.475 120.570 -0.228 0.000 2.406 714 I HA 0.714 4.884 4.170 0.000 0.000 0.290 714 I C 0.243 176.236 176.117 -0.207 0.000 0.999 714 I CA -1.293 59.885 61.300 -0.203 0.000 1.124 714 I CB 2.081 40.007 38.000 -0.124 0.000 1.289 714 I HN 1.066 nan 8.210 nan 0.000 0.441 715 A N 4.750 127.429 122.820 -0.236 0.000 2.566 715 A HA 0.411 4.731 4.320 0.000 0.000 0.245 715 A C 0.699 178.119 177.584 -0.273 0.000 1.056 715 A CA 0.442 52.288 52.037 -0.318 0.000 0.757 715 A CB -0.264 18.535 19.000 -0.336 0.000 0.979 715 A HN 0.907 nan 8.150 nan 0.000 0.508 716 G N 1.727 110.362 108.800 -0.275 0.000 2.543 716 G HA2 0.483 4.443 3.960 0.000 0.000 0.290 716 G HA3 0.483 4.443 3.960 0.000 0.000 0.290 716 G C 0.210 175.017 174.900 -0.154 0.000 1.310 716 G CA -0.496 44.502 45.100 -0.170 0.000 1.025 716 G HN 1.057 nan 8.290 nan 0.000 0.502 717 K N -0.892 119.455 120.400 -0.088 0.000 2.319 717 K HA 0.208 4.528 4.320 0.000 0.000 0.265 717 K C 0.036 176.590 176.600 -0.078 0.000 1.000 717 K CA 0.610 56.859 56.287 -0.062 0.000 0.943 717 K CB 1.052 33.525 32.500 -0.045 0.000 0.950 717 K HN 0.735 nan 8.250 nan 0.000 0.485 718 E N -1.841 118.324 120.200 -0.058 0.000 4.244 718 E HA -0.157 4.193 4.350 0.000 0.000 0.410 718 E C -0.790 175.760 176.600 -0.084 0.000 0.548 718 E CA 0.981 57.352 56.400 -0.049 0.000 1.450 718 E CB -1.290 28.384 29.700 -0.042 0.000 1.911 718 E HN 0.819 nan 8.360 nan 0.000 0.350 719 A N 1.063 123.780 122.820 -0.171 0.000 2.317 719 A HA 0.551 4.871 4.320 0.000 0.000 0.327 719 A C 0.778 178.303 177.584 -0.097 0.000 1.178 719 A CA 0.196 52.086 52.037 -0.245 0.000 0.817 719 A CB 1.785 20.320 19.000 -0.775 0.000 1.189 719 A HN 0.133 nan 8.150 nan 0.000 0.489 720 V N 2.982 122.911 119.914 0.025 0.000 2.720 720 V HA -0.122 3.998 4.120 0.000 0.000 0.256 720 V C 1.765 177.880 176.094 0.035 0.000 1.082 720 V CA 2.004 64.331 62.300 0.045 0.000 1.101 720 V CB -0.651 31.220 31.823 0.080 0.000 0.693 720 V HN 0.855 nan 8.190 nan 0.000 0.479 721 R N 0.428 120.953 120.500 0.042 0.000 2.426 721 R HA 0.413 4.753 4.340 0.000 0.000 0.263 721 R C 0.789 177.034 176.300 -0.092 0.000 0.961 721 R CA 0.372 56.486 56.100 0.023 0.000 1.086 721 R CB 0.008 30.398 30.300 0.149 0.000 1.186 721 R HN 0.483 nan 8.270 nan 0.000 0.537 722 A N 0.773 123.516 122.820 -0.127 0.000 2.600 722 A HA 0.215 4.535 4.320 0.000 0.000 0.244 722 A C 1.389 178.803 177.584 -0.282 0.000 1.016 722 A CA 1.331 53.268 52.037 -0.167 0.000 0.778 722 A CB -0.359 18.603 19.000 -0.063 0.000 0.920 722 A HN 0.635 nan 8.150 nan 0.000 0.513 723 G N 1.780 110.264 108.800 -0.527 0.000 2.234 723 G HA2 -0.195 3.766 3.960 0.000 0.000 0.235 723 G HA3 -0.195 3.766 3.960 0.000 0.000 0.235 723 G C 0.026 174.648 174.900 -0.463 0.000 0.997 723 G CA 0.353 44.839 45.100 -1.025 0.000 0.623 723 G HN 0.884 nan 8.290 nan 0.000 0.514 724 E N 1.148 121.173 120.200 -0.292 0.000 2.229 724 E HA 0.601 4.951 4.350 0.000 0.000 0.283 724 E C 0.523 176.956 176.600 -0.279 0.000 1.030 724 E CA 0.175 56.438 56.400 -0.228 0.000 0.836 724 E CB 1.413 31.041 29.700 -0.120 0.000 1.068 724 E HN 0.612 nan 8.360 nan 0.000 0.401 725 A N 4.062 126.624 122.820 -0.429 0.000 2.269 725 A HA 0.583 4.903 4.320 0.000 0.000 0.319 725 A C -0.291 177.028 177.584 -0.443 0.000 1.110 725 A CA -0.484 51.264 52.037 -0.482 0.000 0.847 725 A CB 0.858 19.383 19.000 -0.791 0.000 1.161 725 A HN 0.556 nan 8.150 nan 0.000 0.497 726 K N 0.386 120.493 120.400 -0.488 0.000 2.512 726 K HA 0.385 4.705 4.320 0.000 0.000 0.263 726 K C -1.185 174.861 176.600 -0.924 0.000 0.966 726 K CA -1.111 54.741 56.287 -0.725 0.000 0.851 726 K CB 1.478 33.702 32.500 -0.460 0.000 1.395 726 K HN 0.663 nan 8.250 nan 0.000 0.440 727 N N 0.704 118.352 118.700 -1.754 0.000 2.708 727 N HA -0.150 4.590 4.740 0.000 0.000 0.255 727 N C -0.510 174.774 175.510 -0.378 0.000 1.046 727 N CA 1.018 53.502 53.050 -0.943 0.000 0.715 727 N CB -1.538 36.682 38.487 -0.445 0.000 0.895 727 N HN 0.753 nan 8.380 nan 0.000 0.545 728 S N -2.137 113.436 115.700 -0.210 0.000 2.600 728 S HA 0.479 4.949 4.470 0.000 0.000 0.265 728 S C 1.172 175.959 174.600 0.312 0.000 1.325 728 S CA 0.538 58.760 58.200 0.036 0.000 1.002 728 S CB 1.301 64.555 63.200 0.091 0.000 0.921 728 S HN 0.626 nan 8.310 nan 0.000 0.554 729 W N -1.029 120.301 121.300 0.050 0.000 0.649 729 W HA -0.268 4.392 4.660 0.000 0.000 0.221 729 W C 0.194 176.727 176.519 0.023 0.000 1.002 729 W CA 1.062 58.454 57.345 0.079 0.000 0.879 729 W CB -1.363 28.227 29.460 0.217 0.000 1.806 729 W HN 0.602 nan 8.180 nan 0.000 0.496 730 L N 2.137 123.551 121.223 0.318 0.000 2.356 730 L HA 0.484 4.824 4.340 0.000 0.000 0.282 730 L C 0.412 177.336 176.870 0.090 0.000 1.132 730 L CA 0.686 55.613 54.840 0.145 0.000 0.923 730 L CB 0.123 42.251 42.059 0.114 0.000 1.278 730 L HN 0.019 nan 8.230 nan 0.000 0.436 731 T N 0.327 114.928 114.554 0.079 0.000 3.047 731 T HA 0.322 4.673 4.350 0.000 0.000 0.340 731 T C 0.933 175.681 174.700 0.081 0.000 1.421 731 T CA -0.025 62.124 62.100 0.081 0.000 1.090 731 T CB 1.623 70.517 68.868 0.043 0.000 1.292 731 T HN 0.530 nan 8.240 nan 0.000 0.480 732 G N 1.339 110.237 108.800 0.164 0.000 2.625 732 G HA2 -0.059 3.901 3.960 0.000 0.000 0.214 732 G HA3 -0.059 3.901 3.960 0.000 0.000 0.214 732 G C 1.518 176.310 174.900 -0.180 0.000 1.132 732 G CA 1.369 46.493 45.100 0.039 0.000 0.782 732 G HN 0.999 nan 8.290 nan 0.000 0.538 733 T N -1.315 113.155 114.554 -0.140 0.000 3.007 733 T HA 0.243 4.593 4.350 0.000 0.000 0.270 733 T C 2.446 176.949 174.700 -0.328 0.000 1.107 733 T CA 1.540 63.490 62.100 -0.249 0.000 1.118 733 T CB -0.123 68.613 68.868 -0.220 0.000 0.889 733 T HN 0.242 nan 8.240 nan 0.000 0.506 734 A N 1.514 124.235 122.820 -0.164 0.000 1.855 734 A HA 0.427 4.748 4.320 0.000 0.000 0.215 734 A C 2.858 180.446 177.584 0.007 0.000 1.191 734 A CA 1.637 53.630 52.037 -0.073 0.000 0.613 734 A CB -1.465 17.585 19.000 0.084 0.000 0.829 734 A HN 0.755 nan 8.150 nan 0.000 0.442 735 A N -1.642 121.183 122.820 0.009 0.000 1.902 735 A HA -0.154 4.166 4.320 0.000 0.000 0.217 735 A C 2.005 179.570 177.584 -0.031 0.000 1.181 735 A CA 1.334 53.376 52.037 0.009 0.000 0.623 735 A CB -0.909 18.051 19.000 -0.066 0.000 0.818 735 A HN 0.738 nan 8.150 nan 0.000 0.443 736 W N 0.202 121.471 121.300 -0.053 0.000 2.402 736 W HA -0.053 4.607 4.660 0.000 0.000 0.286 736 W C 2.247 178.758 176.519 -0.013 0.000 1.221 736 W CA 0.933 58.268 57.345 -0.018 0.000 1.257 736 W CB -0.022 29.339 29.460 -0.166 0.000 1.120 736 W HN 0.338 nan 8.180 nan 0.000 0.551 737 N N -0.588 118.171 118.700 0.098 0.000 2.300 737 N HA -0.142 4.598 4.740 0.000 0.000 0.179 737 N C 1.516 177.140 175.510 0.191 0.000 1.016 737 N CA 0.997 54.099 53.050 0.086 0.000 0.876 737 N CB -0.558 37.765 38.487 -0.273 0.000 0.979 737 N HN 0.100 nan 8.380 nan 0.000 0.432 738 F N 1.829 121.808 119.950 0.048 0.000 2.186 738 F HA -0.076 4.452 4.527 0.000 0.000 0.299 738 F C 2.162 177.931 175.800 -0.051 0.000 1.090 738 F CA 0.665 58.670 58.000 0.008 0.000 1.307 738 F CB -0.333 38.659 39.000 -0.012 0.000 1.019 738 F HN -0.256 nan 8.300 nan 0.000 0.489 739 V N 0.458 120.375 119.914 0.005 0.000 2.255 739 V HA -0.334 3.786 4.120 0.000 0.000 0.247 739 V C 2.748 178.885 176.094 0.072 0.000 1.051 739 V CA 1.924 64.213 62.300 -0.019 0.000 1.018 739 V CB -1.574 30.280 31.823 0.052 0.000 0.641 739 V HN 0.445 nan 8.190 nan 0.000 0.445 740 A N -0.542 122.400 122.820 0.203 0.000 1.859 740 A HA -0.226 4.095 4.320 0.000 0.000 0.217 740 A C 2.479 180.089 177.584 0.043 0.000 1.198 740 A CA 2.466 54.646 52.037 0.238 0.000 0.629 740 A CB -0.970 18.177 19.000 0.245 0.000 0.830 740 A HN 0.358 nan 8.150 nan 0.000 0.446 741 V N 0.526 120.362 119.914 -0.130 0.000 2.379 741 V HA -0.163 3.957 4.120 0.000 0.000 0.245 741 V C 2.856 178.709 176.094 -0.400 0.000 1.044 741 V CA 2.924 65.023 62.300 -0.334 0.000 1.036 741 V CB -0.393 31.170 31.823 -0.434 0.000 0.664 741 V HN 0.822 nan 8.190 nan 0.000 0.453 742 S N -0.970 114.339 115.700 -0.652 0.000 2.387 742 S HA -0.179 4.291 4.470 0.000 0.000 0.226 742 S C 1.829 176.169 174.600 -0.434 0.000 1.026 742 S CA 1.388 59.088 58.200 -0.833 0.000 0.972 742 S CB -0.298 61.772 63.200 -1.883 0.000 0.814 742 S HN 0.746 nan 8.310 nan 0.000 0.477 743 Q N -1.273 118.284 119.800 -0.406 0.000 2.373 743 Q HA 0.241 4.581 4.340 0.000 0.000 0.210 743 Q C 1.036 176.662 176.000 -0.622 0.000 0.913 743 Q CA 0.613 56.143 55.803 -0.455 0.000 0.911 743 Q CB 0.133 28.558 28.738 -0.523 0.000 1.040 743 Q HN 0.707 nan 8.270 nan 0.000 0.521 744 Y N -0.911 119.335 120.300 -0.090 0.000 2.607 744 Y HA 0.141 4.691 4.550 0.000 0.000 0.276 744 Y C 1.688 177.548 175.900 -0.066 0.000 1.117 744 Y CA 0.018 58.090 58.100 -0.047 0.000 1.273 744 Y CB 0.418 38.877 38.460 -0.001 0.000 1.282 744 Y HN -0.073 nan 8.280 nan 0.000 0.514 745 L N -0.527 120.698 121.223 0.003 0.000 2.022 745 L HA -0.110 4.231 4.340 0.000 0.000 0.204 745 L C 1.986 178.759 176.870 -0.162 0.000 1.076 745 L CA 1.162 55.941 54.840 -0.100 0.000 0.749 745 L CB -0.698 41.236 42.059 -0.209 0.000 0.903 745 L HN 0.167 nan 8.230 nan 0.000 0.439 746 L N -0.254 120.831 121.223 -0.229 0.000 2.201 746 L HA -0.065 4.275 4.340 0.000 0.000 0.212 746 L C 1.570 178.439 176.870 -0.002 0.000 1.105 746 L CA 0.976 55.682 54.840 -0.223 0.000 0.775 746 L CB -0.769 41.158 42.059 -0.220 0.000 0.913 746 L HN 0.658 nan 8.230 nan 0.000 0.440 747 G N -0.289 108.472 108.800 -0.065 0.000 2.159 747 G HA2 -0.242 3.719 3.960 0.000 0.000 0.256 747 G HA3 -0.242 3.719 3.960 0.000 0.000 0.256 747 G C 0.157 174.995 174.900 -0.103 0.000 0.977 747 G CA 0.073 45.125 45.100 -0.079 0.000 0.652 747 G HN 0.136 nan 8.290 nan 0.000 0.531 748 V N 2.100 121.977 119.914 -0.062 0.000 2.334 748 V HA 0.646 4.766 4.120 0.000 0.000 0.267 748 V C 0.598 176.634 176.094 -0.096 0.000 1.040 748 V CA -0.012 62.256 62.300 -0.055 0.000 0.866 748 V CB 0.706 32.533 31.823 0.007 0.000 1.019 748 V HN 0.655 nan 8.190 nan 0.000 0.468 749 R N 4.213 124.609 120.500 -0.173 0.000 2.574 749 R HA 0.659 4.999 4.340 0.000 0.000 0.288 749 R C -3.313 172.898 176.300 -0.147 0.000 1.004 749 R CA -2.115 53.867 56.100 -0.196 0.000 0.895 749 R CB 1.994 32.085 30.300 -0.348 0.000 1.191 749 R HN 0.288 nan 8.270 nan 0.000 0.444 750 P HA 0.102 nan 4.420 nan 0.000 0.271 750 P C -1.008 176.248 177.300 -0.074 0.000 1.216 750 P CA 0.066 63.157 63.100 -0.016 0.000 0.771 750 P CB 0.759 32.467 31.700 0.013 0.000 0.864 751 D N 0.895 121.266 120.400 -0.049 0.000 2.621 751 D HA 0.186 4.826 4.640 0.000 0.000 0.255 751 D C 0.909 177.202 176.300 -0.012 0.000 1.122 751 D CA -0.595 53.320 54.000 -0.143 0.000 1.096 751 D CB 0.792 41.525 40.800 -0.112 0.000 1.282 751 D HN 0.202 nan 8.370 nan 0.000 0.619 752 Y N 0.257 120.665 120.300 0.179 0.000 2.181 752 Y HA -0.093 4.458 4.550 0.000 0.000 0.288 752 Y C 1.557 177.696 175.900 0.399 0.000 1.146 752 Y CA 1.290 59.570 58.100 0.300 0.000 1.164 752 Y CB 0.085 38.767 38.460 0.370 0.000 0.982 752 Y HN 0.278 nan 8.280 nan 0.000 0.515 753 D N -1.846 118.775 120.400 0.369 0.000 2.433 753 D HA 0.302 4.943 4.640 0.000 0.000 0.211 753 D C 0.885 177.083 176.300 -0.169 0.000 1.114 753 D CA 0.692 54.842 54.000 0.249 0.000 0.837 753 D CB 0.940 41.834 40.800 0.158 0.000 0.984 753 D HN 0.287 nan 8.370 nan 0.000 0.505 754 G N 0.134 108.565 108.800 -0.616 0.000 2.600 754 G HA2 0.456 4.416 3.960 0.000 0.000 0.293 754 G HA3 0.456 4.416 3.960 0.000 0.000 0.293 754 G C -2.066 172.188 174.900 -1.076 0.000 1.408 754 G CA -0.738 43.646 45.100 -1.194 0.000 0.782 754 G HN 0.022 nan 8.290 nan 0.000 0.482 755 L N 1.554 122.284 121.223 -0.822 0.000 2.280 755 L HA 0.677 5.018 4.340 0.000 0.000 0.287 755 L C 0.330 177.012 176.870 -0.312 0.000 1.023 755 L CA -0.957 53.602 54.840 -0.468 0.000 0.819 755 L CB 1.255 42.976 42.059 -0.563 0.000 1.212 755 L HN 0.710 nan 8.230 nan 0.000 0.420 756 V N 5.860 125.638 119.914 -0.227 0.000 2.546 756 V HA 0.592 4.713 4.120 0.000 0.000 0.284 756 V C -0.652 175.352 176.094 -0.150 0.000 1.050 756 V CA -0.261 61.938 62.300 -0.168 0.000 0.981 756 V CB 1.627 33.368 31.823 -0.136 0.000 0.990 756 V HN 0.496 nan 8.190 nan 0.000 0.474 757 V N 5.808 125.652 119.914 -0.117 0.000 2.305 757 V HA 0.445 4.565 4.120 0.000 0.000 0.275 757 V C -0.434 175.621 176.094 -0.066 0.000 1.020 757 V CA -0.084 62.163 62.300 -0.089 0.000 0.811 757 V CB 0.884 32.659 31.823 -0.080 0.000 1.031 757 V HN 1.061 nan 8.190 nan 0.000 0.439 758 D N 5.592 125.955 120.400 -0.062 0.000 2.613 758 D HA 0.393 5.033 4.640 0.000 0.000 0.312 758 D C -2.669 173.625 176.300 -0.011 0.000 1.202 758 D CA -1.642 52.337 54.000 -0.035 0.000 0.825 758 D CB 1.462 42.242 40.800 -0.035 0.000 1.113 758 D HN 0.260 nan 8.370 nan 0.000 0.502 759 P HA 0.190 nan 4.420 nan 0.000 0.266 759 P C -0.773 176.545 177.300 0.030 0.000 1.193 759 P CA 0.111 63.240 63.100 0.048 0.000 0.770 759 P CB 0.567 32.321 31.700 0.090 0.000 0.836 760 Q N 1.816 121.628 119.800 0.021 0.000 4.231 760 Q HA 0.308 4.648 4.340 0.000 0.000 0.149 760 Q C -0.989 175.003 176.000 -0.014 0.000 0.852 760 Q CA 0.183 55.997 55.803 0.017 0.000 0.789 760 Q CB -0.641 28.125 28.738 0.047 0.000 1.531 760 Q HN 0.435 nan 8.270 nan 0.000 0.456 761 I N -0.396 120.137 120.570 -0.061 0.000 4.240 761 I HA 0.574 4.744 4.170 0.000 0.000 0.331 761 I C 0.626 176.662 176.117 -0.135 0.000 1.381 761 I CA 0.688 61.884 61.300 -0.174 0.000 1.136 761 I CB 0.506 38.267 38.000 -0.397 0.000 1.137 761 I HN 0.616 nan 8.210 nan 0.000 0.411 762 G N 2.137 110.909 108.800 -0.047 0.000 2.728 762 G HA2 -0.194 3.766 3.960 0.000 0.000 0.294 762 G HA3 -0.194 3.766 3.960 0.000 0.000 0.294 762 G C -2.265 172.629 174.900 -0.010 0.000 1.342 762 G CA -0.141 44.957 45.100 -0.004 0.000 0.866 762 G HN 0.081 nan 8.290 nan 0.000 0.534 763 P HA 0.082 nan 4.420 nan 0.000 0.233 763 P C 0.670 177.997 177.300 0.046 0.000 1.167 763 P CA 1.355 64.472 63.100 0.028 0.000 0.770 763 P CB 0.098 31.817 31.700 0.031 0.000 0.837 764 D N -0.047 120.402 120.400 0.082 0.000 2.350 764 D HA -0.008 4.632 4.640 0.000 0.000 0.216 764 D C 0.524 176.874 176.300 0.083 0.000 0.968 764 D CA 0.783 54.868 54.000 0.143 0.000 0.894 764 D CB 0.107 41.118 40.800 0.351 0.000 0.909 764 D HN 0.110 nan 8.370 nan 0.000 0.520 765 V N 2.454 122.352 119.914 -0.027 0.000 2.383 765 V HA 0.107 4.227 4.120 0.000 0.000 0.261 765 V C -1.566 174.564 176.094 0.059 0.000 0.987 765 V CA -0.967 61.322 62.300 -0.018 0.000 0.853 765 V CB 1.937 33.641 31.823 -0.199 0.000 1.095 765 V HN -0.068 nan 8.190 nan 0.000 0.461 766 P HA -0.072 nan 4.420 nan 0.000 0.219 766 P C 0.485 177.799 177.300 0.024 0.000 1.146 766 P CA 1.236 64.358 63.100 0.036 0.000 0.808 766 P CB 0.524 32.241 31.700 0.028 0.000 0.779 767 S N -1.205 114.532 115.700 0.062 0.000 2.533 767 S HA 0.630 5.100 4.470 0.000 0.000 0.271 767 S C -1.162 173.505 174.600 0.112 0.000 1.143 767 S CA -0.791 57.407 58.200 -0.002 0.000 0.891 767 S CB 1.377 64.563 63.200 -0.023 0.000 1.105 767 S HN 0.290 nan 8.310 nan 0.000 0.468 768 Y N -1.787 118.493 120.300 -0.034 0.000 2.677 768 Y HA 0.814 5.364 4.550 0.000 0.000 0.334 768 Y C -1.284 174.596 175.900 -0.033 0.000 1.196 768 Y CA -1.031 57.052 58.100 -0.029 0.000 1.059 768 Y CB 0.947 39.385 38.460 -0.037 0.000 1.315 768 Y HN 0.624 nan 8.280 nan 0.000 0.455 769 T N 2.194 116.848 114.554 0.166 0.000 2.879 769 T HA 0.616 4.967 4.350 0.000 0.000 0.290 769 T C -1.363 173.408 174.700 0.118 0.000 0.993 769 T CA -0.670 61.467 62.100 0.061 0.000 0.975 769 T CB 1.596 70.472 68.868 0.015 0.000 0.981 769 T HN 0.625 nan 8.240 nan 0.000 0.439 770 V N 3.259 123.212 119.914 0.066 0.000 2.513 770 V HA 0.534 4.654 4.120 0.000 0.000 0.299 770 V C 0.150 176.176 176.094 -0.112 0.000 1.035 770 V CA -0.635 61.636 62.300 -0.048 0.000 0.889 770 V CB 2.017 33.777 31.823 -0.105 0.000 0.988 770 V HN 0.968 nan 8.190 nan 0.000 0.440 771 T N 5.151 119.612 114.554 -0.155 0.000 2.772 771 T HA 0.543 4.893 4.350 0.000 0.000 0.288 771 T C -0.342 174.254 174.700 -0.173 0.000 0.994 771 T CA -0.458 61.582 62.100 -0.101 0.000 0.951 771 T CB 0.760 69.602 68.868 -0.043 0.000 0.933 771 T HN 0.534 nan 8.240 nan 0.000 0.447 772 R N 3.101 123.544 120.500 -0.094 0.000 2.476 772 R HA 0.572 4.912 4.340 0.000 0.000 0.305 772 R C -1.473 174.903 176.300 0.126 0.000 0.965 772 R CA -0.642 55.419 56.100 -0.065 0.000 0.867 772 R CB 0.784 30.995 30.300 -0.147 0.000 1.176 772 R HN 0.425 nan 8.270 nan 0.000 0.447 773 V N 3.727 123.704 119.914 0.105 0.000 2.432 773 V HA 0.800 4.920 4.120 0.000 0.000 0.275 773 V C -0.213 175.967 176.094 0.144 0.000 1.043 773 V CA -0.098 62.278 62.300 0.127 0.000 0.925 773 V CB 1.128 32.987 31.823 0.060 0.000 0.985 773 V HN 0.896 nan 8.190 nan 0.000 0.466 774 A N 5.312 128.263 122.820 0.218 0.000 2.437 774 A HA 0.768 5.089 4.320 0.000 0.000 0.293 774 A C 0.235 177.862 177.584 0.071 0.000 1.038 774 A CA -0.729 51.378 52.037 0.117 0.000 0.708 774 A CB 1.141 20.200 19.000 0.098 0.000 1.251 774 A HN 0.669 nan 8.150 nan 0.000 0.409 775 R N 1.204 121.631 120.500 -0.122 0.000 3.525 775 R HA -0.225 4.115 4.340 0.000 0.000 0.276 775 R C 1.131 177.402 176.300 -0.048 0.000 1.116 775 R CA 1.716 57.712 56.100 -0.173 0.000 0.745 775 R CB -2.281 27.792 30.300 -0.378 0.000 1.185 775 R HN 2.673 nan 8.270 nan 0.000 0.454 776 G N -2.420 106.367 108.800 -0.022 0.000 2.205 776 G HA2 -0.291 3.669 3.960 0.000 0.000 0.261 776 G HA3 -0.291 3.669 3.960 0.000 0.000 0.261 776 G C 0.288 175.180 174.900 -0.013 0.000 0.980 776 G CA 0.657 45.748 45.100 -0.015 0.000 0.632 776 G HN 1.098 nan 8.290 nan 0.000 0.533 777 A N -0.495 122.331 122.820 0.010 0.000 2.311 777 A HA 0.858 5.178 4.320 0.000 0.000 0.334 777 A C 0.150 177.659 177.584 -0.126 0.000 1.139 777 A CA 0.480 52.456 52.037 -0.102 0.000 0.830 777 A CB 1.254 20.132 19.000 -0.204 0.000 1.234 777 A HN 0.660 nan 8.150 nan 0.000 0.483 778 T N 1.628 116.041 114.554 -0.235 0.000 2.771 778 T HA 0.514 4.864 4.350 0.000 0.000 0.281 778 T C -1.292 173.227 174.700 -0.303 0.000 0.982 778 T CA 0.351 62.364 62.100 -0.146 0.000 0.978 778 T CB 0.089 68.907 68.868 -0.084 0.000 0.930 778 T HN 0.370 nan 8.240 nan 0.000 0.447 779 Y N 1.772 122.058 120.300 -0.025 0.000 2.331 779 Y HA 0.362 4.912 4.550 0.000 0.000 0.338 779 Y C 0.688 176.554 175.900 -0.056 0.000 0.976 779 Y CA -1.023 57.057 58.100 -0.033 0.000 1.137 779 Y CB 1.106 39.550 38.460 -0.027 0.000 1.172 779 Y HN 0.419 nan 8.280 nan 0.000 0.478 780 E N 5.135 125.363 120.200 0.047 0.000 2.035 780 E HA 0.301 4.651 4.350 0.000 0.000 0.271 780 E C -0.741 175.863 176.600 0.007 0.000 0.953 780 E CA -0.229 56.175 56.400 0.007 0.000 0.777 780 E CB 0.974 30.663 29.700 -0.018 0.000 1.104 780 E HN 0.630 nan 8.360 nan 0.000 0.408 781 I N 2.431 122.997 120.570 -0.007 0.000 2.291 781 I HA 0.123 4.293 4.170 0.000 0.000 0.290 781 I C 0.198 176.267 176.117 -0.079 0.000 1.050 781 I CA -0.229 61.051 61.300 -0.034 0.000 1.245 781 I CB 0.858 38.837 38.000 -0.035 0.000 1.405 781 I HN 0.012 nan 8.210 nan 0.000 0.478 782 T N 6.136 120.631 114.554 -0.099 0.000 2.753 782 T HA 0.399 4.749 4.350 0.000 0.000 0.297 782 T C 0.023 174.590 174.700 -0.221 0.000 0.981 782 T CA -0.425 61.590 62.100 -0.141 0.000 0.956 782 T CB 1.078 69.891 68.868 -0.092 0.000 0.936 782 T HN 0.166 nan 8.240 nan 0.000 0.463 783 V N 3.933 123.609 119.914 -0.397 0.000 2.435 783 V HA 0.468 4.589 4.120 0.000 0.000 0.290 783 V C 0.364 176.229 176.094 -0.383 0.000 1.030 783 V CA -0.768 61.233 62.300 -0.497 0.000 0.881 783 V CB 1.806 33.028 31.823 -1.002 0.000 0.983 783 V HN 0.873 nan 8.190 nan 0.000 0.445 784 T N 4.035 118.448 114.554 -0.234 0.000 2.821 784 T HA 0.302 4.652 4.350 0.000 0.000 0.307 784 T C -0.231 174.397 174.700 -0.120 0.000 1.034 784 T CA -0.331 61.682 62.100 -0.145 0.000 0.953 784 T CB 0.310 69.121 68.868 -0.095 0.000 0.968 784 T HN 0.686 nan 8.240 nan 0.000 0.462 785 N N 1.663 120.307 118.700 -0.093 0.000 2.469 785 N HA 0.230 4.970 4.740 0.000 0.000 0.253 785 N C 1.323 176.822 175.510 -0.019 0.000 0.970 785 N CA -0.533 52.490 53.050 -0.046 0.000 0.940 785 N CB 1.111 39.598 38.487 -0.000 0.000 1.128 785 N HN 0.377 nan 8.380 nan 0.000 0.503 786 S N 2.601 118.290 115.700 -0.018 0.000 2.402 786 S HA 0.080 4.550 4.470 0.000 0.000 0.229 786 S C 1.648 176.247 174.600 -0.001 0.000 1.021 786 S CA 0.742 58.937 58.200 -0.009 0.000 0.974 786 S CB -0.649 62.545 63.200 -0.011 0.000 0.800 786 S HN 1.004 nan 8.310 nan 0.000 0.484 787 G N 1.334 110.133 108.800 -0.001 0.000 2.184 787 G HA2 -0.164 3.796 3.960 0.000 0.000 0.264 787 G HA3 -0.164 3.796 3.960 0.000 0.000 0.264 787 G C 0.341 175.243 174.900 0.005 0.000 0.975 787 G CA 0.180 45.282 45.100 0.003 0.000 0.642 787 G HN 1.487 nan 8.290 nan 0.000 0.536 788 A N 1.542 124.363 122.820 0.002 0.000 2.584 788 A HA 0.455 4.775 4.320 0.000 0.000 0.239 788 A C -0.724 176.863 177.584 0.005 0.000 1.043 788 A CA 0.417 52.455 52.037 0.003 0.000 0.756 788 A CB -0.006 18.994 19.000 -0.000 0.000 0.963 788 A HN 0.478 nan 8.150 nan 0.000 0.511 789 P HA 0.143 nan 4.420 nan 0.000 0.260 789 P C 0.924 178.229 177.300 0.008 0.000 1.207 789 P CA 1.420 64.525 63.100 0.007 0.000 0.780 789 P CB 0.372 32.076 31.700 0.007 0.000 0.789 790 G N 2.727 111.533 108.800 0.010 0.000 2.199 790 G HA2 -0.215 3.745 3.960 0.000 0.000 0.254 790 G HA3 -0.215 3.745 3.960 0.000 0.000 0.254 790 G C 0.377 175.282 174.900 0.008 0.000 0.982 790 G CA 0.031 45.138 45.100 0.011 0.000 0.632 790 G HN 0.880 nan 8.290 nan 0.000 0.529 791 A N 0.700 123.523 122.820 0.005 0.000 2.450 791 A HA 0.704 5.024 4.320 0.000 0.000 0.255 791 A C 0.761 178.345 177.584 0.001 0.000 1.096 791 A CA 0.328 52.366 52.037 0.001 0.000 0.778 791 A CB 0.252 19.251 19.000 -0.003 0.000 1.031 791 A HN 0.534 nan 8.150 nan 0.000 0.494 792 R N 1.359 121.858 120.500 -0.002 0.000 2.832 792 R HA 0.649 4.989 4.340 0.000 0.000 0.271 792 R C 0.088 176.381 176.300 -0.012 0.000 0.996 792 R CA -0.536 55.562 56.100 -0.003 0.000 0.977 792 R CB 1.927 32.228 30.300 0.001 0.000 1.168 792 R HN 0.818 nan 8.270 nan 0.000 0.482 793 A N 1.035 123.845 122.820 -0.017 0.000 2.366 793 A HA 0.348 4.668 4.320 0.000 0.000 0.249 793 A C -0.121 177.446 177.584 -0.029 0.000 1.084 793 A CA -0.208 51.812 52.037 -0.028 0.000 0.794 793 A CB 0.373 19.351 19.000 -0.037 0.000 1.034 793 A HN 0.727 nan 8.150 nan 0.000 0.491 794 S N 0.565 116.245 115.700 -0.033 0.000 2.538 794 S HA 0.732 5.202 4.470 0.000 0.000 0.288 794 S C -0.760 173.819 174.600 -0.036 0.000 1.108 794 S CA -0.698 57.483 58.200 -0.031 0.000 0.971 794 S CB 0.803 63.987 63.200 -0.026 0.000 1.041 794 S HN 0.617 nan 8.310 nan 0.000 0.483 795 L N 2.103 123.305 121.223 -0.034 0.000 2.322 795 L HA 0.827 5.168 4.340 0.000 0.000 0.269 795 L C -0.152 176.701 176.870 -0.028 0.000 1.012 795 L CA -0.912 53.907 54.840 -0.035 0.000 0.815 795 L CB 2.316 44.353 42.059 -0.036 0.000 1.295 795 L HN 0.926 nan 8.230 nan 0.000 0.438 796 T N -1.301 113.237 114.554 -0.027 0.000 2.879 796 T HA 0.677 5.027 4.350 0.000 0.000 0.290 796 T C -0.735 173.955 174.700 -0.016 0.000 0.993 796 T CA -0.685 61.402 62.100 -0.021 0.000 0.975 796 T CB 1.676 70.530 68.868 -0.023 0.000 0.981 796 T HN 0.208 nan 8.240 nan 0.000 0.439 797 V N 2.890 122.798 119.914 -0.009 0.000 2.409 797 V HA 0.390 4.510 4.120 0.000 0.000 0.291 797 V C -0.330 175.761 176.094 -0.005 0.000 1.020 797 V CA -0.681 61.619 62.300 -0.001 0.000 0.848 797 V CB 1.020 32.850 31.823 0.012 0.000 0.990 797 V HN 1.097 nan 8.190 nan 0.000 0.430 798 D N 4.438 124.832 120.400 -0.009 0.000 2.697 798 D HA -0.176 4.464 4.640 0.000 0.000 0.238 798 D C 1.267 177.558 176.300 -0.015 0.000 1.152 798 D CA 1.737 55.728 54.000 -0.015 0.000 0.666 798 D CB -1.023 39.767 40.800 -0.016 0.000 1.037 798 D HN 1.445 nan 8.370 nan 0.000 0.423 799 G N -1.411 107.379 108.800 -0.016 0.000 2.148 799 G HA2 0.033 3.994 3.960 0.000 0.000 0.254 799 G HA3 0.033 3.994 3.960 0.000 0.000 0.254 799 G C 0.264 175.156 174.900 -0.014 0.000 0.981 799 G CA 0.452 45.543 45.100 -0.015 0.000 0.670 799 G HN 1.454 nan 8.290 nan 0.000 0.528 800 A N 0.192 123.005 122.820 -0.013 0.000 2.429 800 A HA 0.822 5.142 4.320 0.000 0.000 0.289 800 A C -2.428 175.149 177.584 -0.013 0.000 1.043 800 A CA -0.960 51.070 52.037 -0.012 0.000 0.722 800 A CB 2.285 21.279 19.000 -0.010 0.000 1.243 800 A HN 0.223 nan 8.150 nan 0.000 0.415 801 P HA 0.323 nan 4.420 nan 0.000 0.269 801 P C -0.011 177.281 177.300 -0.014 0.000 1.209 801 P CA 0.275 63.365 63.100 -0.016 0.000 0.776 801 P CB 1.111 32.801 31.700 -0.016 0.000 0.876 802 V N -1.130 118.774 119.914 -0.017 0.000 3.074 802 V HA 0.584 4.704 4.120 0.000 0.000 0.314 802 V C -0.529 175.554 176.094 -0.019 0.000 1.117 802 V CA -0.983 61.307 62.300 -0.017 0.000 1.014 802 V CB 2.256 34.068 31.823 -0.017 0.000 1.057 802 V HN 0.316 nan 8.190 nan 0.000 0.438 803 D N 1.202 121.591 120.400 -0.019 0.000 2.210 803 D HA 0.620 5.260 4.640 0.000 0.000 0.249 803 D C 0.600 176.886 176.300 -0.023 0.000 1.062 803 D CA 1.505 55.494 54.000 -0.019 0.000 0.891 803 D CB 1.463 42.254 40.800 -0.015 0.000 1.186 803 D HN 1.493 nan 8.370 nan 0.000 0.432 804 G N 1.859 110.646 108.800 -0.023 0.000 2.741 804 G HA2 -0.268 3.692 3.960 0.000 0.000 0.222 804 G HA3 -0.268 3.692 3.960 0.000 0.000 0.222 804 G C 0.031 174.911 174.900 -0.034 0.000 1.364 804 G CA -0.564 44.521 45.100 -0.026 0.000 0.866 804 G HN 0.586 nan 8.290 nan 0.000 0.555 805 R N -0.492 119.983 120.500 -0.041 0.000 2.629 805 R HA 0.337 4.677 4.340 0.000 0.000 0.386 805 R C -0.102 176.151 176.300 -0.077 0.000 1.071 805 R CA 0.171 56.239 56.100 -0.054 0.000 1.104 805 R CB 0.919 31.190 30.300 -0.048 0.000 1.370 805 R HN 0.399 nan 8.270 nan 0.000 0.574 806 T N 1.213 115.718 114.554 -0.081 0.000 2.772 806 T HA 0.267 4.617 4.350 0.000 0.000 0.288 806 T C -0.224 174.401 174.700 -0.125 0.000 0.994 806 T CA -0.361 61.667 62.100 -0.121 0.000 0.951 806 T CB 2.209 71.011 68.868 -0.111 0.000 0.933 806 T HN -0.181 nan 8.240 nan 0.000 0.447 807 V N 7.181 126.998 119.914 -0.162 0.000 2.368 807 V HA 0.252 4.372 4.120 0.000 0.000 0.266 807 V C -2.053 173.934 176.094 -0.179 0.000 1.045 807 V CA -2.086 60.144 62.300 -0.116 0.000 0.899 807 V CB 0.627 32.416 31.823 -0.058 0.000 1.006 807 V HN 0.669 nan 8.190 nan 0.000 0.470 808 P HA -0.014 nan 4.420 nan 0.000 0.265 808 P C -0.665 176.623 177.300 -0.021 0.000 1.187 808 P CA 0.033 63.069 63.100 -0.108 0.000 0.766 808 P CB 0.152 31.840 31.700 -0.018 0.000 0.820 809 Y N 1.207 121.563 120.300 0.094 0.000 2.632 809 Y HA 0.219 4.769 4.550 0.000 0.000 0.329 809 Y C 1.310 177.307 175.900 0.162 0.000 1.174 809 Y CA 0.129 58.328 58.100 0.164 0.000 1.469 809 Y CB -0.555 37.978 38.460 0.122 0.000 1.242 809 Y HN 0.349 nan 8.280 nan 0.000 0.540 810 A N 6.821 129.873 122.820 0.387 0.000 2.287 810 A HA 0.535 4.855 4.320 0.000 0.000 0.273 810 A C -2.101 175.550 177.584 0.113 0.000 1.091 810 A CA -1.598 50.535 52.037 0.159 0.000 0.817 810 A CB -0.296 18.715 19.000 0.017 0.000 1.069 810 A HN 0.572 nan 8.150 nan 0.000 0.492 811 P HA 0.278 nan 4.420 nan 0.000 0.269 811 P C -0.005 177.297 177.300 0.002 0.000 1.215 811 P CA 0.166 63.285 63.100 0.031 0.000 0.780 811 P CB 0.488 32.198 31.700 0.016 0.000 0.898 812 A N 1.417 124.238 122.820 0.001 0.000 2.507 812 A HA 0.379 4.699 4.320 0.000 0.000 0.235 812 A C 1.583 179.150 177.584 -0.027 0.000 1.070 812 A CA 0.809 52.837 52.037 -0.014 0.000 0.768 812 A CB -1.391 17.602 19.000 -0.011 0.000 1.011 812 A HN 0.938 nan 8.150 nan 0.000 0.502 813 G N 0.047 108.824 108.800 -0.037 0.000 2.245 813 G HA2 -0.244 3.716 3.960 0.000 0.000 0.264 813 G HA3 -0.244 3.716 3.960 0.000 0.000 0.264 813 G C 0.816 175.680 174.900 -0.059 0.000 0.985 813 G CA 1.103 46.178 45.100 -0.041 0.000 0.625 813 G HN 1.808 nan 8.290 nan 0.000 0.536 814 S N -0.287 115.366 115.700 -0.078 0.000 2.614 814 S HA 0.631 5.101 4.470 0.000 0.000 0.265 814 S C 0.222 174.725 174.600 -0.162 0.000 1.303 814 S CA 1.084 59.220 58.200 -0.107 0.000 1.000 814 S CB 1.019 64.153 63.200 -0.109 0.000 0.935 814 S HN 0.617 nan 8.310 nan 0.000 0.551 815 T N 2.606 117.063 114.554 -0.162 0.000 3.008 815 T HA 0.406 4.756 4.350 0.000 0.000 0.328 815 T C -0.663 173.925 174.700 -0.185 0.000 1.020 815 T CA -0.537 61.454 62.100 -0.182 0.000 1.043 815 T CB 0.703 69.506 68.868 -0.108 0.000 1.010 815 T HN 0.738 nan 8.240 nan 0.000 0.466 816 V N 2.713 122.456 119.914 -0.284 0.000 2.532 816 V HA 0.721 4.841 4.120 0.000 0.000 0.295 816 V C -0.493 175.551 176.094 -0.083 0.000 1.041 816 V CA -0.940 61.256 62.300 -0.174 0.000 0.926 816 V CB 1.316 33.037 31.823 -0.171 0.000 0.992 816 V HN 0.745 nan 8.190 nan 0.000 0.457 817 R N 4.096 124.574 120.500 -0.038 0.000 2.288 817 R HA 0.649 4.989 4.340 0.000 0.000 0.326 817 R C -0.847 175.452 176.300 -0.001 0.000 0.959 817 R CA -0.500 55.589 56.100 -0.018 0.000 0.834 817 R CB 1.856 32.139 30.300 -0.028 0.000 1.157 817 R HN 0.831 nan 8.270 nan 0.000 0.470 818 V N 1.938 121.860 119.914 0.013 0.000 2.435 818 V HA 0.391 4.511 4.120 0.000 0.000 0.290 818 V C -0.693 175.384 176.094 -0.028 0.000 1.030 818 V CA -0.597 61.705 62.300 0.004 0.000 0.881 818 V CB 1.771 33.609 31.823 0.026 0.000 0.983 818 V HN 0.678 nan 8.190 nan 0.000 0.445 819 E N 4.537 124.715 120.200 -0.037 0.000 2.134 819 E HA 0.590 4.940 4.350 0.000 0.000 0.278 819 E C -1.084 175.478 176.600 -0.065 0.000 0.959 819 E CA -0.292 56.075 56.400 -0.055 0.000 0.783 819 E CB 1.703 31.375 29.700 -0.046 0.000 1.095 819 E HN 0.722 nan 8.360 nan 0.000 0.399 820 V N 4.122 123.980 119.914 -0.093 0.000 2.459 820 V HA 0.516 4.636 4.120 0.000 0.000 0.295 820 V C -0.291 175.741 176.094 -0.104 0.000 1.029 820 V CA -0.728 61.513 62.300 -0.099 0.000 0.874 820 V CB 1.997 33.743 31.823 -0.128 0.000 0.985 820 V HN 0.758 nan 8.190 nan 0.000 0.438 821 T N 4.203 118.711 114.554 -0.077 0.000 2.847 821 T HA 0.671 5.021 4.350 0.000 0.000 0.291 821 T C -0.293 174.374 174.700 -0.055 0.000 0.998 821 T CA -0.347 61.713 62.100 -0.067 0.000 0.967 821 T CB 1.465 70.303 68.868 -0.049 0.000 0.954 821 T HN 0.374 nan 8.240 nan 0.000 0.441 822 V N 0.000 119.881 119.914 -0.056 0.000 2.409 822 V HA 0.000 4.120 4.120 0.000 0.000 0.244 822 V CA 0.000 62.278 62.300 -0.037 0.000 1.235 822 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 822 V HN 0.000 nan 8.190 nan 0.000 0.556