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 3d7e_1_O DATA FIRST_RESID 5 DATA SEQUENCE NYVMAIDQGT TSSRAIIFDR NGKKIGSSQK EFPQYFPKSG WVEHNANEIW DATA SEQUENCE NSVQSVIAGA FIESGIRPEA IAGIGITNQR ETTVVWDKTT GQPIANAIVW DATA SEQUENCE QSRQSSPIAD QLKVDGHTEM IHEKTGLVID AYFSATKVRW LLDNIEGAQE DATA SEQUENCE KADNGELLFG TIDSWLVWKL TDGQVHVTDY SNASRTMLYN IHKLEWDQEI DATA SEQUENCE LDLLNIPSSM LPEVKSNSEV YGHTRSYAFY GSEVPIAGMA GDQQAALFGQ DATA SEQUENCE MAFEKGMIKN TYGTGAFIVM NTGEEPQLSD NDLLTTIGYG INGKVYYALE DATA SEQUENCE GSIFVAGSAI QWLRDGLRMI ETSPQSEELA AKAKGDNEVY VVPAFTGLGA DATA SEQUENCE PYWDSEARGA VFGLTRGTTK EDFVRATLQA VAYQSKDVID TMKKDSGIDI DATA SEQUENCE PLLKVDGGAA KNDLLMQFQA DILDIDVQRA ANLETTALGA AYLAGLAVGF DATA SEQUENCE WKDLDELKSM AEEGQMFTPE MPAEERDNLY EGWKQAVAAT QTFKF 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.230 175.510 -0.467 0.000 1.280 5 N CA 0.000 52.910 53.050 -0.233 0.000 0.885 5 N CB 0.000 38.149 38.487 -0.563 0.000 1.341 6 Y N -0.252 120.053 120.300 0.008 0.000 2.644 6 Y HA 0.693 5.243 4.550 -0.001 0.000 0.338 6 Y C -0.276 175.296 175.900 -0.547 0.000 1.119 6 Y CA -0.933 57.075 58.100 -0.154 0.000 1.060 6 Y CB 1.752 40.234 38.460 0.037 0.000 1.294 6 Y HN -0.359 nan 8.280 nan 0.000 0.472 7 V N 2.694 122.507 119.914 -0.168 0.000 2.638 7 V HA 0.404 4.524 4.120 -0.001 0.000 0.306 7 V C -0.650 175.542 176.094 0.164 0.000 1.052 7 V CA -0.856 61.356 62.300 -0.147 0.000 0.885 7 V CB 1.930 33.647 31.823 -0.176 0.000 0.999 7 V HN 0.805 nan 8.190 nan 0.000 0.424 8 M N 4.507 124.184 119.600 0.129 0.000 2.209 8 M HA 0.770 5.250 4.480 -0.001 0.000 0.355 8 M C -0.156 176.254 176.300 0.183 0.000 1.171 8 M CA -0.295 55.086 55.300 0.134 0.000 1.069 8 M CB 1.215 33.883 32.600 0.114 0.000 1.622 8 M HN 0.772 nan 8.290 nan 0.000 0.459 9 A N 6.174 129.126 122.820 0.221 0.000 2.317 9 A HA 0.751 5.070 4.320 -0.001 0.000 0.327 9 A C -1.006 176.655 177.584 0.129 0.000 1.178 9 A CA -0.738 51.426 52.037 0.211 0.000 0.817 9 A CB 0.673 19.875 19.000 0.337 0.000 1.189 9 A HN 0.913 nan 8.150 nan 0.000 0.489 10 I N 2.011 122.651 120.570 0.117 0.000 2.362 10 I HA 0.274 4.443 4.170 -0.001 0.000 0.289 10 I C -0.882 175.294 176.117 0.099 0.000 0.994 10 I CA -0.341 61.017 61.300 0.096 0.000 1.158 10 I CB 1.864 39.931 38.000 0.112 0.000 1.315 10 I HN 0.602 nan 8.210 nan 0.000 0.451 11 D N 6.647 127.104 120.400 0.095 0.000 2.453 11 D HA 0.106 4.745 4.640 -0.001 0.000 0.238 11 D C -0.686 175.687 176.300 0.121 0.000 1.088 11 D CA -0.364 53.700 54.000 0.107 0.000 0.854 11 D CB 1.168 42.034 40.800 0.111 0.000 1.076 11 D HN 0.253 nan 8.370 nan 0.000 0.533 12 Q N 3.259 123.138 119.800 0.131 0.000 2.465 12 Q HA 0.460 4.799 4.340 -0.001 0.000 0.237 12 Q C -0.156 175.973 176.000 0.215 0.000 1.051 12 Q CA -0.616 55.276 55.803 0.147 0.000 0.874 12 Q CB 0.997 29.808 28.738 0.123 0.000 1.207 12 Q HN 0.641 nan 8.270 nan 0.000 0.508 13 G N 1.603 110.572 108.800 0.282 0.000 2.537 13 G HA2 0.250 4.210 3.960 -0.001 0.000 0.297 13 G HA3 0.250 4.210 3.960 -0.001 0.000 0.297 13 G C 0.606 175.789 174.900 0.472 0.000 1.310 13 G CA -0.144 45.152 45.100 0.325 0.000 1.027 13 G HN 0.537 nan 8.290 nan 0.000 0.505 14 T N -0.520 114.321 114.554 0.478 0.000 2.896 14 T HA -0.044 4.306 4.350 -0.001 0.000 0.263 14 T C 2.416 177.297 174.700 0.302 0.000 1.050 14 T CA 1.947 64.403 62.100 0.593 0.000 1.140 14 T CB -0.166 69.086 68.868 0.639 0.000 0.877 14 T HN 0.665 nan 8.240 nan 0.000 0.457 15 T N -1.079 113.526 114.554 0.084 0.000 2.985 15 T HA 0.340 4.690 4.350 -0.001 0.000 0.254 15 T C 0.697 175.137 174.700 -0.433 0.000 1.021 15 T CA 0.064 61.980 62.100 -0.307 0.000 0.957 15 T CB 0.230 69.037 68.868 -0.101 0.000 1.047 15 T HN 0.375 nan 8.240 nan 0.000 0.511 16 S N -0.003 115.717 115.700 0.034 0.000 2.596 16 S HA 0.740 5.209 4.470 -0.001 0.000 0.270 16 S C -1.315 173.524 174.600 0.397 0.000 1.155 16 S CA -0.720 57.615 58.200 0.225 0.000 0.827 16 S CB 1.945 65.203 63.200 0.097 0.000 1.130 16 S HN 0.139 nan 8.310 nan 0.000 0.467 17 S N 0.452 116.338 115.700 0.311 0.000 2.568 17 S HA 0.780 5.250 4.470 -0.001 0.000 0.302 17 S C -0.706 173.957 174.600 0.105 0.000 1.082 17 S CA -0.933 57.376 58.200 0.182 0.000 1.009 17 S CB 1.227 64.482 63.200 0.092 0.000 1.069 17 S HN 0.695 nan 8.310 nan 0.000 0.500 18 R N 0.405 120.951 120.500 0.075 0.000 2.740 18 R HA 0.771 5.110 4.340 -0.001 0.000 0.273 18 R C -1.370 174.933 176.300 0.005 0.000 0.998 18 R CA -0.823 55.296 56.100 0.031 0.000 0.900 18 R CB 2.119 32.445 30.300 0.043 0.000 1.223 18 R HN 0.670 nan 8.270 nan 0.000 0.466 19 A N 2.848 125.637 122.820 -0.052 0.000 2.386 19 A HA 0.787 5.106 4.320 -0.001 0.000 0.311 19 A C -0.804 176.691 177.584 -0.148 0.000 1.068 19 A CA -0.664 51.321 52.037 -0.086 0.000 0.743 19 A CB 1.074 19.982 19.000 -0.154 0.000 1.258 19 A HN 0.614 nan 8.150 nan 0.000 0.429 20 I N 2.416 122.885 120.570 -0.169 0.000 2.569 20 I HA 0.356 4.526 4.170 -0.001 0.000 0.290 20 I C -1.032 174.832 176.117 -0.420 0.000 1.088 20 I CA -0.312 60.768 61.300 -0.366 0.000 1.047 20 I CB 2.102 39.813 38.000 -0.482 0.000 1.237 20 I HN 0.515 nan 8.210 nan 0.000 0.421 21 I N 5.737 126.033 120.570 -0.456 0.000 2.339 21 I HA 0.383 4.552 4.170 -0.001 0.000 0.290 21 I C -0.922 175.038 176.117 -0.262 0.000 0.994 21 I CA -0.325 60.813 61.300 -0.271 0.000 1.191 21 I CB 0.905 38.734 38.000 -0.285 0.000 1.343 21 I HN 0.294 nan 8.210 nan 0.000 0.458 22 F N 4.003 124.062 119.950 0.182 0.000 2.492 22 F HA 0.328 4.855 4.527 -0.001 0.000 0.327 22 F C 0.479 176.564 175.800 0.476 0.000 1.079 22 F CA -0.775 57.405 58.000 0.301 0.000 0.967 22 F CB 1.237 40.451 39.000 0.358 0.000 1.169 22 F HN 0.477 nan 8.300 nan 0.000 0.472 23 D N 0.729 121.556 120.400 0.711 0.000 2.511 23 D HA 0.200 4.840 4.640 -0.001 0.000 0.276 23 D C 1.200 177.891 176.300 0.652 0.000 1.220 23 D CA -0.573 53.801 54.000 0.623 0.000 1.077 23 D CB 0.461 41.544 40.800 0.471 0.000 1.126 23 D HN 0.388 nan 8.370 nan 0.000 0.583 24 R N -0.779 119.943 120.500 0.370 0.000 2.200 24 R HA -0.016 4.324 4.340 -0.001 0.000 0.234 24 R C 0.953 177.519 176.300 0.444 0.000 1.127 24 R CA 1.102 57.274 56.100 0.120 0.000 0.989 24 R CB -0.340 29.798 30.300 -0.270 0.000 0.869 24 R HN 0.377 nan 8.270 nan 0.000 0.459 25 N N -0.559 118.364 118.700 0.371 0.000 2.398 25 N HA 0.065 4.805 4.740 -0.001 0.000 0.188 25 N C 0.479 176.193 175.510 0.341 0.000 1.122 25 N CA 0.997 54.231 53.050 0.308 0.000 0.866 25 N CB 0.938 39.549 38.487 0.207 0.000 0.970 25 N HN 0.421 nan 8.380 nan 0.000 0.462 26 G N 1.321 110.441 108.800 0.533 0.000 2.143 26 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.248 26 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.248 26 G C 0.117 175.282 174.900 0.443 0.000 0.991 26 G CA 0.402 45.757 45.100 0.424 0.000 0.689 26 G HN 0.446 nan 8.290 nan 0.000 0.522 27 K N 0.383 121.061 120.400 0.465 0.000 2.118 27 K HA 0.551 4.871 4.320 -0.001 0.000 0.254 27 K C 0.389 177.237 176.600 0.413 0.000 0.961 27 K CA -0.900 55.621 56.287 0.391 0.000 0.876 27 K CB 0.724 33.376 32.500 0.253 0.000 1.077 27 K HN 0.069 nan 8.250 nan 0.000 0.440 28 K N 3.908 124.451 120.400 0.239 0.000 2.378 28 K HA 0.074 4.394 4.320 -0.001 0.000 0.288 28 K C 0.165 176.756 176.600 -0.016 0.000 1.057 28 K CA -0.145 56.120 56.287 -0.038 0.000 0.971 28 K CB 0.432 32.879 32.500 -0.088 0.000 0.975 28 K HN 0.500 nan 8.250 nan 0.000 0.475 29 I N 2.829 123.359 120.570 -0.066 0.000 3.939 29 I HA 0.232 4.402 4.170 -0.001 0.000 0.313 29 I C 0.730 176.768 176.117 -0.133 0.000 1.274 29 I CA 0.085 61.356 61.300 -0.049 0.000 1.301 29 I CB 0.934 38.929 38.000 -0.008 0.000 1.105 29 I HN 0.734 nan 8.210 nan 0.000 0.427 30 G N -0.427 108.250 108.800 -0.206 0.000 2.720 30 G HA2 0.635 4.594 3.960 -0.001 0.000 0.295 30 G HA3 0.635 4.594 3.960 -0.001 0.000 0.295 30 G C -1.323 173.434 174.900 -0.238 0.000 1.437 30 G CA 0.031 45.009 45.100 -0.203 0.000 0.886 30 G HN 0.117 nan 8.290 nan 0.000 0.509 31 S N -1.169 114.418 115.700 -0.188 0.000 2.578 31 S HA 0.859 5.329 4.470 -0.001 0.000 0.272 31 S C -1.095 173.427 174.600 -0.131 0.000 1.145 31 S CA -0.174 57.918 58.200 -0.179 0.000 0.835 31 S CB 1.690 64.791 63.200 -0.165 0.000 1.104 31 S HN 1.906 nan 8.310 nan 0.000 0.458 32 S N 0.349 115.979 115.700 -0.115 0.000 2.537 32 S HA 0.653 5.123 4.470 -0.001 0.000 0.270 32 S C -2.020 172.549 174.600 -0.052 0.000 1.142 32 S CA -0.416 57.735 58.200 -0.082 0.000 0.870 32 S CB 1.878 65.018 63.200 -0.100 0.000 1.112 32 S HN 0.971 nan 8.310 nan 0.000 0.466 33 Q N 2.454 122.240 119.800 -0.024 0.000 2.359 33 Q HA 0.566 4.906 4.340 -0.001 0.000 0.274 33 Q C -1.943 174.068 176.000 0.019 0.000 1.074 33 Q CA -0.675 55.132 55.803 0.007 0.000 0.810 33 Q CB 1.705 30.454 28.738 0.018 0.000 1.342 33 Q HN 0.656 nan 8.270 nan 0.000 0.427 34 K N 2.910 123.340 120.400 0.050 0.000 2.553 34 K HA 0.284 4.603 4.320 -0.001 0.000 0.250 34 K C -1.163 175.512 176.600 0.125 0.000 0.953 34 K CA -0.376 55.949 56.287 0.063 0.000 0.800 34 K CB 1.793 34.323 32.500 0.050 0.000 1.243 34 K HN 0.692 nan 8.250 nan 0.000 0.435 35 E N 2.693 122.936 120.200 0.071 0.000 2.392 35 E HA 0.215 4.565 4.350 -0.001 0.000 0.259 35 E C -0.493 176.156 176.600 0.080 0.000 1.108 35 E CA -0.015 56.388 56.400 0.005 0.000 0.916 35 E CB 0.542 30.203 29.700 -0.066 0.000 0.989 35 E HN 0.349 nan 8.360 nan 0.000 0.432 36 F N -1.452 118.459 119.950 -0.065 0.000 2.664 36 F HA 0.608 5.135 4.527 -0.001 0.000 0.317 36 F C -2.831 172.883 175.800 -0.144 0.000 1.108 36 F CA -3.171 54.779 58.000 -0.084 0.000 0.957 36 F CB 0.156 39.107 39.000 -0.081 0.000 1.365 36 F HN 0.138 nan 8.300 nan 0.000 0.475 37 P HA 0.223 nan 4.420 nan 0.000 0.275 37 P C -1.295 175.712 177.300 -0.489 0.000 1.227 37 P CA -0.248 62.649 63.100 -0.339 0.000 0.781 37 P CB 0.769 32.252 31.700 -0.362 0.000 0.906 38 Q N 2.165 121.613 119.800 -0.588 0.000 2.282 38 Q HA 0.409 4.749 4.340 -0.001 0.000 0.260 38 Q C -0.957 174.463 176.000 -0.968 0.000 0.964 38 Q CA -0.308 55.163 55.803 -0.554 0.000 0.880 38 Q CB 1.417 29.947 28.738 -0.348 0.000 1.286 38 Q HN 0.460 nan 8.270 nan 0.000 0.445 39 Y N 1.142 121.038 120.300 -0.673 0.000 2.391 39 Y HA 0.451 5.001 4.550 -0.001 0.000 0.341 39 Y C -0.569 174.808 175.900 -0.871 0.000 0.965 39 Y CA -0.966 56.801 58.100 -0.556 0.000 1.067 39 Y CB 1.327 39.678 38.460 -0.182 0.000 1.199 39 Y HN 0.409 nan 8.280 nan 0.000 0.450 40 F N 3.692 123.744 119.950 0.171 0.000 2.550 40 F HA 0.410 4.937 4.527 -0.001 0.000 0.348 40 F C -1.974 173.856 175.800 0.049 0.000 1.219 40 F CA -2.233 55.826 58.000 0.099 0.000 1.203 40 F CB 0.789 39.811 39.000 0.038 0.000 1.436 40 F HN 0.343 nan 8.300 nan 0.000 0.541 41 P HA -0.039 nan 4.420 nan 0.000 0.221 41 P C 0.061 177.206 177.300 -0.258 0.000 1.150 41 P CA 1.067 64.147 63.100 -0.033 0.000 0.800 41 P CB 0.541 32.230 31.700 -0.017 0.000 0.787 42 K N -1.631 118.518 120.400 -0.418 0.000 2.512 42 K HA 0.429 4.748 4.320 -0.001 0.000 0.263 42 K C -0.683 175.776 176.600 -0.235 0.000 0.966 42 K CA -0.735 55.208 56.287 -0.573 0.000 0.851 42 K CB 1.945 33.608 32.500 -1.395 0.000 1.395 42 K HN -0.376 nan 8.250 nan 0.000 0.440 43 S N 0.416 116.038 115.700 -0.131 0.000 2.596 43 S HA 0.269 4.738 4.470 -0.001 0.000 0.298 43 S C 0.988 175.655 174.600 0.112 0.000 1.255 43 S CA 1.870 60.062 58.200 -0.013 0.000 1.083 43 S CB -0.312 62.873 63.200 -0.025 0.000 0.837 43 S HN 0.845 nan 8.310 nan 0.000 0.499 44 G N 4.220 113.114 108.800 0.156 0.000 2.213 44 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.236 44 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.236 44 G C -0.256 174.840 174.900 0.327 0.000 0.991 44 G CA -0.020 45.199 45.100 0.198 0.000 0.629 44 G HN 0.594 nan 8.290 nan 0.000 0.517 45 W N 0.260 121.561 121.300 0.002 0.000 2.438 45 W HA 0.724 5.384 4.660 -0.001 0.000 0.324 45 W C -0.011 176.523 176.519 0.025 0.000 1.119 45 W CA -1.291 56.025 57.345 -0.049 0.000 1.221 45 W CB 1.534 30.948 29.460 -0.077 0.000 1.253 45 W HN 0.193 nan 8.180 nan 0.000 0.555 46 V N 2.921 122.891 119.914 0.093 0.000 2.525 46 V HA 0.385 4.504 4.120 -0.001 0.000 0.299 46 V C -0.376 175.599 176.094 -0.199 0.000 1.034 46 V CA -1.111 61.156 62.300 -0.055 0.000 0.863 46 V CB 1.517 33.285 31.823 -0.092 0.000 0.999 46 V HN 0.495 nan 8.190 nan 0.000 0.423 47 E N 2.244 122.329 120.200 -0.191 0.000 2.369 47 E HA 0.640 4.990 4.350 -0.001 0.000 0.270 47 E C -1.398 175.226 176.600 0.041 0.000 0.909 47 E CA -0.900 55.432 56.400 -0.112 0.000 0.775 47 E CB 2.890 32.602 29.700 0.021 0.000 1.270 47 E HN 0.788 nan 8.360 nan 0.000 0.445 48 H N 0.116 119.269 119.070 0.137 0.000 2.731 48 H HA 0.284 4.839 4.556 -0.001 0.000 0.368 48 H C -0.550 174.905 175.328 0.210 0.000 1.168 48 H CA -1.124 55.083 56.048 0.265 0.000 1.181 48 H CB 1.624 31.552 29.762 0.278 0.000 1.743 48 H HN 0.244 nan 8.280 nan 0.000 0.547 49 N N 1.107 120.064 118.700 0.429 0.000 2.414 49 N HA 0.095 4.835 4.740 -0.001 0.000 0.256 49 N C 0.458 176.039 175.510 0.119 0.000 1.029 49 N CA -0.058 53.109 53.050 0.196 0.000 0.948 49 N CB 1.512 40.135 38.487 0.226 0.000 1.102 49 N HN 0.775 nan 8.380 nan 0.000 0.496 50 A N 4.465 127.258 122.820 -0.045 0.000 2.019 50 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 50 A C 1.774 179.475 177.584 0.194 0.000 1.164 50 A CA 1.065 52.987 52.037 -0.191 0.000 0.644 50 A CB -0.230 18.226 19.000 -0.907 0.000 0.805 50 A HN 0.749 nan 8.150 nan 0.000 0.449 51 N N 0.029 118.856 118.700 0.211 0.000 2.142 51 N HA -0.124 4.616 4.740 -0.001 0.000 0.186 51 N C 1.620 177.310 175.510 0.301 0.000 1.023 51 N CA 1.530 54.809 53.050 0.382 0.000 0.852 51 N CB -0.365 38.289 38.487 0.279 0.000 0.998 51 N HN 0.673 nan 8.380 nan 0.000 0.424 52 E N 0.561 120.879 120.200 0.196 0.000 2.106 52 E HA -0.031 4.319 4.350 -0.001 0.000 0.192 52 E C 2.022 178.629 176.600 0.011 0.000 0.984 52 E CA 0.407 56.890 56.400 0.137 0.000 0.806 52 E CB -0.011 29.809 29.700 0.199 0.000 0.750 52 E HN 0.322 nan 8.360 nan 0.000 0.458 53 I N 0.895 121.406 120.570 -0.098 0.000 2.118 53 I HA -0.308 3.862 4.170 -0.001 0.000 0.241 53 I C 2.469 178.594 176.117 0.015 0.000 1.070 53 I CA 1.340 62.443 61.300 -0.329 0.000 1.327 53 I CB -0.483 37.350 38.000 -0.278 0.000 1.034 53 I HN 0.431 nan 8.210 nan 0.000 0.405 54 W N 2.645 124.002 121.300 0.095 0.000 2.335 54 W HA -0.269 4.391 4.660 -0.000 0.000 0.311 54 W C 2.238 178.761 176.519 0.007 0.000 1.213 54 W CA 1.629 59.006 57.345 0.053 0.000 1.274 54 W CB -0.404 29.103 29.460 0.079 0.000 1.148 54 W HN 0.212 nan 8.180 nan 0.000 0.498 55 N N 0.902 119.483 118.700 -0.198 0.000 2.149 55 N HA -0.218 4.521 4.740 -0.001 0.000 0.188 55 N C 2.027 177.395 175.510 -0.237 0.000 1.019 55 N CA 2.457 55.320 53.050 -0.310 0.000 0.857 55 N CB -1.098 37.325 38.487 -0.107 0.000 0.997 55 N HN 0.304 nan 8.380 nan 0.000 0.426 56 S N 0.255 115.872 115.700 -0.137 0.000 2.368 56 S HA -0.084 4.385 4.470 -0.001 0.000 0.225 56 S C 2.159 176.689 174.600 -0.117 0.000 1.030 56 S CA 1.223 59.376 58.200 -0.078 0.000 0.999 56 S CB -0.758 62.430 63.200 -0.019 0.000 0.844 56 S HN 0.057 nan 8.310 nan 0.000 0.459 57 V N 2.401 122.219 119.914 -0.161 0.000 2.307 57 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 57 V C 2.974 178.906 176.094 -0.271 0.000 1.045 57 V CA 2.112 64.325 62.300 -0.146 0.000 1.024 57 V CB -1.050 30.764 31.823 -0.015 0.000 0.651 57 V HN 0.558 nan 8.190 nan 0.000 0.449 58 Q N -0.069 119.413 119.800 -0.530 0.000 2.077 58 Q HA -0.226 4.114 4.340 -0.001 0.000 0.206 58 Q C 2.489 178.343 176.000 -0.244 0.000 0.989 58 Q CA 2.114 57.633 55.803 -0.475 0.000 0.853 58 Q CB -0.384 27.974 28.738 -0.632 0.000 0.907 58 Q HN 0.603 nan 8.270 nan 0.000 0.418 59 S N 0.679 116.260 115.700 -0.198 0.000 2.359 59 S HA -0.148 4.322 4.470 -0.001 0.000 0.224 59 S C 2.242 176.776 174.600 -0.110 0.000 1.035 59 S CA 1.649 59.779 58.200 -0.116 0.000 1.018 59 S CB -0.418 62.731 63.200 -0.084 0.000 0.876 59 S HN 0.482 nan 8.310 nan 0.000 0.448 60 V N -0.111 119.732 119.914 -0.118 0.000 2.719 60 V HA -0.012 4.108 4.120 -0.001 0.000 0.252 60 V C 1.910 177.890 176.094 -0.190 0.000 1.065 60 V CA 0.789 63.018 62.300 -0.118 0.000 1.086 60 V CB -0.830 30.947 31.823 -0.077 0.000 0.700 60 V HN 0.246 nan 8.190 nan 0.000 0.467 61 I N 2.113 122.547 120.570 -0.228 0.000 2.142 61 I HA -0.129 4.040 4.170 -0.001 0.000 0.240 61 I C 2.951 178.860 176.117 -0.347 0.000 1.078 61 I CA 1.839 62.913 61.300 -0.376 0.000 1.343 61 I CB -1.838 35.892 38.000 -0.450 0.000 1.046 61 I HN 0.376 nan 8.210 nan 0.000 0.405 62 A N 0.750 123.461 122.820 -0.182 0.000 1.902 62 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 62 A C 2.513 180.066 177.584 -0.052 0.000 1.181 62 A CA 1.852 53.860 52.037 -0.048 0.000 0.623 62 A CB -1.412 17.577 19.000 -0.017 0.000 0.818 62 A HN 0.447 nan 8.150 nan 0.000 0.443 63 G N -0.491 108.251 108.800 -0.096 0.000 2.440 63 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.218 63 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.218 63 G C 1.704 176.530 174.900 -0.123 0.000 1.154 63 G CA 1.468 46.516 45.100 -0.087 0.000 0.767 63 G HN 0.821 nan 8.290 nan 0.000 0.552 64 A N 0.003 122.688 122.820 -0.225 0.000 1.968 64 A HA 0.249 4.569 4.320 -0.001 0.000 0.217 64 A C 2.114 179.547 177.584 -0.252 0.000 1.169 64 A CA 1.071 52.941 52.037 -0.278 0.000 0.638 64 A CB -0.385 18.378 19.000 -0.395 0.000 0.812 64 A HN 0.246 nan 8.150 nan 0.000 0.446 65 F N 0.118 119.978 119.950 -0.149 0.000 2.084 65 F HA -0.103 4.423 4.527 -0.001 0.000 0.296 65 F C 2.177 177.907 175.800 -0.117 0.000 1.111 65 F CA 0.621 58.534 58.000 -0.146 0.000 1.224 65 F CB -0.585 38.313 39.000 -0.169 0.000 0.991 65 F HN 0.082 nan 8.300 nan 0.000 0.471 66 I N 0.336 120.953 120.570 0.078 0.000 2.127 66 I HA -0.235 3.935 4.170 -0.001 0.000 0.241 66 I C 2.313 178.427 176.117 -0.004 0.000 1.075 66 I CA 1.473 62.787 61.300 0.023 0.000 1.334 66 I CB -1.364 36.638 38.000 0.003 0.000 1.040 66 I HN 0.164 nan 8.210 nan 0.000 0.405 67 E N 0.445 120.627 120.200 -0.030 0.000 2.204 67 E HA -0.108 4.242 4.350 -0.001 0.000 0.194 67 E C 2.277 178.852 176.600 -0.042 0.000 0.989 67 E CA 1.455 57.833 56.400 -0.038 0.000 0.824 67 E CB -0.277 29.393 29.700 -0.050 0.000 0.756 67 E HN 0.609 nan 8.360 nan 0.000 0.477 68 S N -1.096 114.572 115.700 -0.054 0.000 2.458 68 S HA 0.182 4.652 4.470 -0.001 0.000 0.223 68 S C 1.770 176.346 174.600 -0.039 0.000 1.019 68 S CA 0.864 59.022 58.200 -0.071 0.000 0.937 68 S CB 0.392 63.508 63.200 -0.140 0.000 0.788 68 S HN 0.297 nan 8.310 nan 0.000 0.511 69 G N 1.063 109.859 108.800 -0.006 0.000 2.199 69 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.254 69 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.254 69 G C 0.060 174.970 174.900 0.016 0.000 0.982 69 G CA 0.155 45.258 45.100 0.004 0.000 0.632 69 G HN 0.493 nan 8.290 nan 0.000 0.529 70 I N 1.318 121.905 120.570 0.027 0.000 2.519 70 I HA 0.458 4.628 4.170 -0.001 0.000 0.287 70 I C 0.786 176.973 176.117 0.117 0.000 1.047 70 I CA -0.331 60.998 61.300 0.048 0.000 1.381 70 I CB 0.883 38.833 38.000 -0.082 0.000 1.417 70 I HN 0.046 nan 8.210 nan 0.000 0.540 71 R N 5.908 126.399 120.500 -0.015 0.000 2.758 71 R HA 0.374 4.714 4.340 -0.001 0.000 0.265 71 R C -1.704 174.357 176.300 -0.399 0.000 1.016 71 R CA -2.090 53.820 56.100 -0.317 0.000 1.040 71 R CB 0.204 30.380 30.300 -0.208 0.000 1.152 71 R HN 0.204 nan 8.270 nan 0.000 0.503 72 P HA -0.199 nan 4.420 nan 0.000 0.217 72 P C 0.838 178.128 177.300 -0.016 0.000 1.148 72 P CA 1.347 64.269 63.100 -0.298 0.000 0.834 72 P CB 0.414 31.979 31.700 -0.224 0.000 0.783 73 E N -0.459 119.713 120.200 -0.046 0.000 2.358 73 E HA -0.008 4.342 4.350 -0.001 0.000 0.195 73 E C 1.640 178.268 176.600 0.047 0.000 1.010 73 E CA 0.696 57.097 56.400 0.001 0.000 0.856 73 E CB -0.929 28.760 29.700 -0.018 0.000 0.795 73 E HN 0.080 nan 8.360 nan 0.000 0.504 74 A N 0.286 123.163 122.820 0.094 0.000 2.238 74 A HA 0.148 4.467 4.320 -0.001 0.000 0.208 74 A C 0.339 178.050 177.584 0.212 0.000 1.177 74 A CA -0.066 52.077 52.037 0.177 0.000 0.804 74 A CB -0.105 19.073 19.000 0.297 0.000 0.823 74 A HN 0.125 nan 8.150 nan 0.000 0.482 75 I N 0.052 120.726 120.570 0.173 0.000 2.331 75 I HA 0.291 4.461 4.170 -0.001 0.000 0.292 75 I C 1.382 177.498 176.117 -0.001 0.000 0.998 75 I CA -0.127 61.259 61.300 0.143 0.000 1.267 75 I CB 0.908 39.064 38.000 0.261 0.000 1.386 75 I HN 0.187 nan 8.210 nan 0.000 0.476 76 A N 5.142 127.869 122.820 -0.155 0.000 1.970 76 A HA 0.418 4.737 4.320 -0.001 0.000 0.216 76 A C 1.039 178.540 177.584 -0.137 0.000 1.170 76 A CA 1.095 53.027 52.037 -0.175 0.000 0.645 76 A CB -0.076 18.709 19.000 -0.358 0.000 0.816 76 A HN 0.834 nan 8.150 nan 0.000 0.447 77 G N -1.841 106.864 108.800 -0.158 0.000 2.576 77 G HA2 0.511 4.470 3.960 -0.001 0.000 0.290 77 G HA3 0.511 4.470 3.960 -0.001 0.000 0.290 77 G C -1.536 173.327 174.900 -0.061 0.000 1.442 77 G CA -0.660 44.378 45.100 -0.104 0.000 0.792 77 G HN 0.131 nan 8.290 nan 0.000 0.491 78 I N 0.796 121.336 120.570 -0.050 0.000 2.406 78 I HA 0.570 4.740 4.170 -0.001 0.000 0.290 78 I C 0.774 176.918 176.117 0.045 0.000 0.999 78 I CA -0.635 60.669 61.300 0.007 0.000 1.124 78 I CB 2.236 40.202 38.000 -0.057 0.000 1.289 78 I HN 0.625 nan 8.210 nan 0.000 0.441 79 G N 6.490 115.343 108.800 0.088 0.000 2.412 79 G HA2 0.792 4.752 3.960 -0.001 0.000 0.318 79 G HA3 0.792 4.752 3.960 -0.001 0.000 0.318 79 G C -0.768 174.185 174.900 0.088 0.000 1.146 79 G CA -0.439 44.715 45.100 0.090 0.000 0.882 79 G HN 0.479 nan 8.290 nan 0.000 0.501 80 I N 0.437 121.048 120.570 0.068 0.000 2.498 80 I HA 0.493 4.662 4.170 -0.001 0.000 0.290 80 I C -0.095 176.048 176.117 0.044 0.000 1.032 80 I CA -0.511 60.825 61.300 0.059 0.000 1.073 80 I CB 2.697 40.716 38.000 0.031 0.000 1.251 80 I HN 0.534 nan 8.210 nan 0.000 0.426 81 T N 5.326 119.916 114.554 0.061 0.000 2.864 81 T HA 0.599 4.948 4.350 -0.001 0.000 0.299 81 T C -1.938 172.807 174.700 0.075 0.000 1.166 81 T CA -0.654 61.478 62.100 0.054 0.000 1.007 81 T CB 1.629 70.528 68.868 0.051 0.000 1.219 81 T HN 0.853 nan 8.240 nan 0.000 0.506 82 N N 1.740 120.483 118.700 0.071 0.000 2.710 82 N HA 0.154 4.894 4.740 -0.001 0.000 0.257 82 N C -1.289 174.276 175.510 0.092 0.000 1.140 82 N CA -0.817 52.294 53.050 0.103 0.000 0.953 82 N CB 1.365 39.914 38.487 0.103 0.000 1.664 82 N HN 0.847 nan 8.380 nan 0.000 0.497 83 Q N 1.161 121.059 119.800 0.164 0.000 2.304 83 Q HA 0.113 4.453 4.340 -0.001 0.000 0.315 83 Q C -0.458 175.618 176.000 0.126 0.000 1.075 83 Q CA 0.308 56.214 55.803 0.173 0.000 0.988 83 Q CB 0.698 29.714 28.738 0.465 0.000 1.146 83 Q HN 0.438 nan 8.270 nan 0.000 0.383 84 R N 1.853 122.329 120.500 -0.040 0.000 2.549 84 R HA 0.168 4.507 4.340 -0.001 0.000 0.259 84 R C 0.091 176.451 176.300 0.101 0.000 1.095 84 R CA -0.329 55.765 56.100 -0.010 0.000 1.148 84 R CB 0.499 30.725 30.300 -0.123 0.000 1.181 84 R HN 0.926 nan 8.270 nan 0.000 0.571 85 E N -1.403 118.872 120.200 0.125 0.000 5.150 85 E HA -0.240 4.110 4.350 -0.001 0.000 0.167 85 E C -0.432 176.319 176.600 0.251 0.000 1.196 85 E CA 2.212 58.723 56.400 0.185 0.000 2.189 85 E CB -1.440 28.312 29.700 0.088 0.000 1.820 85 E HN 0.682 nan 8.360 nan 0.000 0.420 86 T N 1.951 116.684 114.554 0.297 0.000 2.867 86 T HA 0.150 4.500 4.350 -0.001 0.000 0.290 86 T C 0.073 174.895 174.700 0.204 0.000 1.025 86 T CA 1.161 63.410 62.100 0.249 0.000 1.146 86 T CB 0.383 69.430 68.868 0.298 0.000 1.024 86 T HN 0.131 nan 8.240 nan 0.000 0.519 87 T N 3.800 118.458 114.554 0.174 0.000 2.812 87 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 87 T C -0.293 174.486 174.700 0.132 0.000 0.990 87 T CA -0.588 61.659 62.100 0.245 0.000 0.960 87 T CB 1.178 70.232 68.868 0.311 0.000 0.948 87 T HN 0.353 nan 8.240 nan 0.000 0.438 88 V N 3.732 123.712 119.914 0.110 0.000 2.555 88 V HA 0.645 4.764 4.120 -0.001 0.000 0.302 88 V C -0.357 175.840 176.094 0.171 0.000 1.038 88 V CA -0.760 61.556 62.300 0.027 0.000 0.887 88 V CB 1.980 33.698 31.823 -0.176 0.000 0.991 88 V HN 0.664 nan 8.190 nan 0.000 0.434 89 V N 4.273 124.251 119.914 0.107 0.000 2.540 89 V HA 0.657 4.776 4.120 -0.001 0.000 0.302 89 V C -0.924 175.218 176.094 0.080 0.000 1.035 89 V CA -0.507 61.827 62.300 0.056 0.000 0.873 89 V CB 1.683 33.522 31.823 0.026 0.000 0.992 89 V HN 1.057 nan 8.190 nan 0.000 0.428 90 W N 2.900 124.074 121.300 -0.210 0.000 3.107 90 W HA 0.616 5.276 4.660 -0.001 0.000 0.331 90 W C -0.852 175.542 176.519 -0.207 0.000 1.204 90 W CA -0.880 56.331 57.345 -0.222 0.000 1.184 90 W CB 0.893 30.197 29.460 -0.259 0.000 1.421 90 W HN 0.560 nan 8.180 nan 0.000 0.544 91 D N 3.257 123.704 120.400 0.078 0.000 2.383 91 D HA -0.033 4.606 4.640 -0.001 0.000 0.252 91 D C 1.004 177.334 176.300 0.050 0.000 1.166 91 D CA 0.210 54.213 54.000 0.004 0.000 0.879 91 D CB 1.517 42.356 40.800 0.064 0.000 1.164 91 D HN 0.758 nan 8.370 nan 0.000 0.462 92 K N 2.421 122.779 120.400 -0.070 0.000 2.209 92 K HA -0.117 4.202 4.320 -0.001 0.000 0.204 92 K C 1.245 178.026 176.600 0.302 0.000 1.048 92 K CA 1.214 57.524 56.287 0.039 0.000 0.940 92 K CB 0.303 32.766 32.500 -0.061 0.000 0.729 92 K HN 0.332 nan 8.250 nan 0.000 0.451 93 T N -0.451 114.221 114.554 0.197 0.000 2.983 93 T HA -0.057 4.293 4.350 -0.001 0.000 0.250 93 T C 1.700 176.529 174.700 0.214 0.000 1.037 93 T CA 1.407 63.622 62.100 0.193 0.000 1.142 93 T CB 0.109 69.042 68.868 0.109 0.000 0.876 93 T HN 0.520 nan 8.240 nan 0.000 0.455 94 T N -0.987 113.689 114.554 0.203 0.000 3.057 94 T HA 0.342 4.691 4.350 -0.001 0.000 0.254 94 T C 1.896 176.762 174.700 0.277 0.000 1.094 94 T CA 0.845 63.062 62.100 0.194 0.000 1.088 94 T CB -0.216 68.738 68.868 0.145 0.000 0.934 94 T HN 0.464 nan 8.240 nan 0.000 0.497 95 G N 1.520 110.565 108.800 0.410 0.000 2.166 95 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.260 95 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.260 95 G C -0.117 174.998 174.900 0.357 0.000 0.986 95 G CA 0.047 45.459 45.100 0.521 0.000 0.683 95 G HN 0.627 nan 8.290 nan 0.000 0.527 96 Q N 0.270 120.231 119.800 0.268 0.000 2.256 96 Q HA 0.404 4.743 4.340 -0.001 0.000 0.254 96 Q C -2.311 173.783 176.000 0.155 0.000 0.916 96 Q CA -2.114 53.807 55.803 0.198 0.000 0.932 96 Q CB 1.240 30.062 28.738 0.139 0.000 1.207 96 Q HN 0.193 nan 8.270 nan 0.000 0.426 97 P HA -0.016 nan 4.420 nan 0.000 0.266 97 P C 0.818 178.130 177.300 0.020 0.000 1.193 97 P CA 0.258 63.342 63.100 -0.028 0.000 0.770 97 P CB 0.358 31.946 31.700 -0.186 0.000 0.836 98 I N -0.255 120.328 120.570 0.021 0.000 3.111 98 I HA 0.335 4.505 4.170 -0.001 0.000 0.272 98 I C 0.617 176.746 176.117 0.019 0.000 1.268 98 I CA 0.561 61.871 61.300 0.018 0.000 1.467 98 I CB -0.128 37.875 38.000 0.006 0.000 1.087 98 I HN 0.226 nan 8.210 nan 0.000 0.467 99 A N 0.476 123.304 122.820 0.013 0.000 2.438 99 A HA 0.424 4.743 4.320 -0.001 0.000 0.301 99 A C -1.130 176.451 177.584 -0.005 0.000 1.101 99 A CA -0.822 51.230 52.037 0.026 0.000 0.621 99 A CB 0.098 19.151 19.000 0.089 0.000 1.350 99 A HN 0.132 nan 8.150 nan 0.000 0.496 100 N N 0.816 119.515 118.700 -0.001 0.000 2.407 100 N HA 0.416 5.155 4.740 -0.001 0.000 0.250 100 N C 0.473 175.974 175.510 -0.015 0.000 1.236 100 N CA 0.942 53.983 53.050 -0.016 0.000 0.879 100 N CB 0.780 39.254 38.487 -0.021 0.000 1.088 100 N HN 1.027 nan 8.380 nan 0.000 0.450 101 A N 2.333 125.139 122.820 -0.024 0.000 2.466 101 A HA 0.239 4.559 4.320 -0.001 0.000 0.238 101 A C 0.383 177.941 177.584 -0.043 0.000 1.074 101 A CA 0.057 52.077 52.037 -0.030 0.000 0.774 101 A CB -0.049 18.945 19.000 -0.010 0.000 1.015 101 A HN 0.665 nan 8.150 nan 0.000 0.498 102 I N 2.327 122.862 120.570 -0.058 0.000 2.339 102 I HA 0.224 4.393 4.170 -0.001 0.000 0.290 102 I C -0.250 175.794 176.117 -0.121 0.000 0.994 102 I CA -0.694 60.517 61.300 -0.148 0.000 1.191 102 I CB 1.652 39.530 38.000 -0.204 0.000 1.343 102 I HN 0.357 nan 8.210 nan 0.000 0.458 103 V N 6.147 125.922 119.914 -0.233 0.000 2.811 103 V HA -0.048 4.072 4.120 -0.001 0.000 0.302 103 V C 1.243 177.270 176.094 -0.113 0.000 1.063 103 V CA -0.326 61.819 62.300 -0.257 0.000 1.088 103 V CB 0.764 32.230 31.823 -0.595 0.000 0.982 103 V HN 0.962 nan 8.190 nan 0.000 0.485 104 W N 2.250 123.585 121.300 0.059 0.000 2.341 104 W HA -0.217 4.442 4.660 -0.001 0.000 0.283 104 W C 1.285 177.899 176.519 0.159 0.000 1.215 104 W CA 1.140 58.578 57.345 0.155 0.000 1.211 104 W CB -0.750 28.877 29.460 0.278 0.000 1.131 104 W HN 0.687 nan 8.180 nan 0.000 0.552 105 Q N 1.209 120.550 119.800 -0.766 0.000 2.224 105 Q HA -0.077 4.263 4.340 -0.001 0.000 0.203 105 Q C 1.509 177.331 176.000 -0.298 0.000 0.970 105 Q CA 0.976 56.376 55.803 -0.670 0.000 0.865 105 Q CB -0.232 28.015 28.738 -0.818 0.000 0.922 105 Q HN 0.074 nan 8.270 nan 0.000 0.445 106 S N 0.031 115.586 115.700 -0.242 0.000 2.573 106 S HA 0.071 4.541 4.470 -0.001 0.000 0.277 106 S C 0.626 175.107 174.600 -0.198 0.000 1.346 106 S CA -0.135 57.944 58.200 -0.200 0.000 1.034 106 S CB 0.459 63.491 63.200 -0.280 0.000 0.879 106 S HN 0.179 nan 8.310 nan 0.000 0.528 107 R N 1.946 122.334 120.500 -0.187 0.000 2.629 107 R HA 0.085 4.425 4.340 -0.001 0.000 0.408 107 R C 1.725 177.863 176.300 -0.270 0.000 1.057 107 R CA -0.036 55.963 56.100 -0.168 0.000 1.119 107 R CB -0.156 30.096 30.300 -0.079 0.000 1.403 107 R HN 0.881 nan 8.270 nan 0.000 0.576 108 Q N 0.184 119.627 119.800 -0.595 0.000 2.152 108 Q HA -0.139 4.201 4.340 -0.001 0.000 0.206 108 Q C 1.072 176.660 176.000 -0.686 0.000 0.985 108 Q CA 2.294 57.455 55.803 -1.070 0.000 0.863 108 Q CB -0.261 27.093 28.738 -2.307 0.000 0.904 108 Q HN 0.130 nan 8.270 nan 0.000 0.422 109 S N 0.472 115.864 115.700 -0.514 0.000 2.631 109 S HA 0.038 4.508 4.470 -0.001 0.000 0.217 109 S C 1.812 176.405 174.600 -0.013 0.000 0.958 109 S CA 0.300 58.409 58.200 -0.152 0.000 0.920 109 S CB 0.054 63.195 63.200 -0.100 0.000 0.776 109 S HN 0.540 nan 8.310 nan 0.000 0.517 110 S N 2.921 118.597 115.700 -0.040 0.000 2.392 110 S HA -0.055 4.415 4.470 -0.001 0.000 0.232 110 S C -0.770 173.867 174.600 0.062 0.000 1.041 110 S CA 1.212 59.427 58.200 0.025 0.000 1.026 110 S CB -2.118 61.097 63.200 0.025 0.000 0.845 110 S HN 0.458 nan 8.310 nan 0.000 0.465 111 P HA -0.026 nan 4.420 nan 0.000 0.216 111 P C 1.396 178.745 177.300 0.081 0.000 1.150 111 P CA 0.859 64.009 63.100 0.083 0.000 0.837 111 P CB -0.174 31.587 31.700 0.101 0.000 0.786 112 I N -0.661 119.965 120.570 0.092 0.000 2.286 112 I HA -0.119 4.050 4.170 -0.001 0.000 0.245 112 I C 2.228 178.395 176.117 0.082 0.000 1.104 112 I CA 1.213 62.563 61.300 0.082 0.000 1.397 112 I CB -2.004 36.049 38.000 0.089 0.000 1.072 112 I HN -0.099 nan 8.210 nan 0.000 0.417 113 A N 0.857 123.730 122.820 0.089 0.000 1.902 113 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 113 A C 2.006 179.650 177.584 0.101 0.000 1.181 113 A CA 1.861 53.961 52.037 0.105 0.000 0.623 113 A CB -0.631 18.441 19.000 0.119 0.000 0.818 113 A HN 0.332 nan 8.150 nan 0.000 0.443 114 D N -0.882 119.571 120.400 0.088 0.000 2.104 114 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 114 D C 2.072 178.417 176.300 0.074 0.000 0.994 114 D CA 1.866 55.912 54.000 0.078 0.000 0.830 114 D CB -0.325 40.514 40.800 0.065 0.000 0.959 114 D HN 0.527 nan 8.370 nan 0.000 0.452 115 Q N 0.289 120.133 119.800 0.075 0.000 2.119 115 Q HA -0.008 4.331 4.340 -0.001 0.000 0.201 115 Q C 2.254 178.315 176.000 0.102 0.000 0.972 115 Q CA 0.764 56.611 55.803 0.073 0.000 0.847 115 Q CB -0.342 28.435 28.738 0.065 0.000 0.903 115 Q HN 0.291 nan 8.270 nan 0.000 0.433 116 L N 0.039 121.338 121.223 0.126 0.000 2.042 116 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 116 L C 2.335 179.309 176.870 0.173 0.000 1.076 116 L CA 1.642 56.602 54.840 0.199 0.000 0.749 116 L CB -0.421 41.734 42.059 0.161 0.000 0.893 116 L HN 0.175 nan 8.230 nan 0.000 0.432 117 K N -0.464 120.002 120.400 0.111 0.000 2.057 117 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 117 K C 2.071 178.689 176.600 0.030 0.000 1.050 117 K CA 1.208 57.539 56.287 0.073 0.000 0.935 117 K CB -0.284 32.262 32.500 0.077 0.000 0.715 117 K HN 0.078 nan 8.250 nan 0.000 0.439 118 V N 2.468 122.403 119.914 0.035 0.000 2.252 118 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 118 V C 1.234 177.311 176.094 -0.028 0.000 1.056 118 V CA 2.030 64.336 62.300 0.011 0.000 1.022 118 V CB -0.429 31.408 31.823 0.023 0.000 0.641 118 V HN 0.315 nan 8.190 nan 0.000 0.445 119 D N -0.132 120.247 120.400 -0.036 0.000 2.371 119 D HA 0.179 4.818 4.640 -0.001 0.000 0.234 119 D C 1.598 177.654 176.300 -0.406 0.000 1.049 119 D CA 1.103 55.017 54.000 -0.145 0.000 0.907 119 D CB 0.079 40.853 40.800 -0.043 0.000 0.891 119 D HN 0.613 nan 8.370 nan 0.000 0.531 120 G N 0.707 109.338 108.800 -0.281 0.000 2.131 120 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.223 120 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.223 120 G C 0.688 175.423 174.900 -0.274 0.000 0.990 120 G CA -0.282 44.663 45.100 -0.259 0.000 0.671 120 G HN 0.409 nan 8.290 nan 0.000 0.521 121 H N 0.454 119.539 119.070 0.024 0.000 2.539 121 H HA 0.117 4.672 4.556 -0.001 0.000 0.267 121 H C 2.481 177.829 175.328 0.033 0.000 0.982 121 H CA 1.188 57.251 56.048 0.026 0.000 1.146 121 H CB -0.020 29.758 29.762 0.026 0.000 1.382 121 H HN 0.404 nan 8.280 nan 0.000 0.577 122 T N 1.458 116.073 114.554 0.101 0.000 2.597 122 T HA -0.239 4.111 4.350 -0.001 0.000 0.267 122 T C 1.972 176.729 174.700 0.096 0.000 1.053 122 T CA 2.184 64.335 62.100 0.085 0.000 1.165 122 T CB -0.034 68.863 68.868 0.048 0.000 0.863 122 T HN 0.719 nan 8.240 nan 0.000 0.427 123 E N 1.149 121.396 120.200 0.079 0.000 2.112 123 E HA -0.014 4.336 4.350 -0.001 0.000 0.190 123 E C 2.347 179.006 176.600 0.098 0.000 0.979 123 E CA 0.623 57.082 56.400 0.098 0.000 0.814 123 E CB -0.457 29.278 29.700 0.058 0.000 0.762 123 E HN 0.411 nan 8.360 nan 0.000 0.460 124 M N 1.371 121.020 119.600 0.082 0.000 2.082 124 M HA -0.200 4.279 4.480 -0.001 0.000 0.258 124 M C 2.186 178.519 176.300 0.056 0.000 1.069 124 M CA 1.746 57.086 55.300 0.066 0.000 1.102 124 M CB -0.189 32.470 32.600 0.098 0.000 1.336 124 M HN 0.201 nan 8.290 nan 0.000 0.404 125 I N -0.529 120.089 120.570 0.080 0.000 2.394 125 I HA -0.286 3.884 4.170 -0.001 0.000 0.251 125 I C 2.483 178.622 176.117 0.037 0.000 1.136 125 I CA 1.314 62.643 61.300 0.049 0.000 1.425 125 I CB -0.527 37.510 38.000 0.061 0.000 1.079 125 I HN 0.462 nan 8.210 nan 0.000 0.425 126 H N 1.183 120.246 119.070 -0.011 0.000 2.357 126 H HA -0.136 4.419 4.556 -0.001 0.000 0.301 126 H C 1.994 177.323 175.328 0.002 0.000 1.082 126 H CA 1.810 57.842 56.048 -0.028 0.000 1.342 126 H CB 0.072 29.816 29.762 -0.030 0.000 1.389 126 H HN 0.295 nan 8.280 nan 0.000 0.511 127 E N 0.035 120.156 120.200 -0.132 0.000 2.153 127 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 127 E C 1.966 178.515 176.600 -0.085 0.000 0.988 127 E CA 1.226 57.525 56.400 -0.167 0.000 0.811 127 E CB 0.124 29.768 29.700 -0.094 0.000 0.746 127 E HN 0.517 nan 8.360 nan 0.000 0.466 128 K N -0.250 120.129 120.400 -0.035 0.000 2.098 128 K HA -0.025 4.294 4.320 -0.001 0.000 0.203 128 K C 2.209 178.813 176.600 0.006 0.000 1.051 128 K CA 1.615 57.918 56.287 0.027 0.000 0.957 128 K CB 0.147 32.642 32.500 -0.008 0.000 0.738 128 K HN 0.146 nan 8.250 nan 0.000 0.447 129 T N -3.628 110.884 114.554 -0.070 0.000 2.990 129 T HA 0.218 4.568 4.350 -0.001 0.000 0.250 129 T C 1.465 176.072 174.700 -0.155 0.000 1.041 129 T CA 0.323 62.362 62.100 -0.102 0.000 1.010 129 T CB 0.677 69.482 68.868 -0.104 0.000 1.003 129 T HN 0.290 nan 8.240 nan 0.000 0.499 130 G N 1.487 110.156 108.800 -0.217 0.000 2.155 130 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.257 130 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.257 130 G C -0.098 174.746 174.900 -0.094 0.000 0.983 130 G CA 0.561 45.509 45.100 -0.254 0.000 0.676 130 G HN 0.661 nan 8.290 nan 0.000 0.528 131 L N -0.383 120.766 121.223 -0.123 0.000 2.313 131 L HA 0.720 5.059 4.340 -0.001 0.000 0.268 131 L C 0.781 177.617 176.870 -0.056 0.000 1.010 131 L CA -1.560 53.155 54.840 -0.209 0.000 0.814 131 L CB 1.761 43.375 42.059 -0.742 0.000 1.304 131 L HN -0.110 nan 8.230 nan 0.000 0.441 132 V N 2.075 121.892 119.914 -0.162 0.000 2.530 132 V HA 0.153 4.272 4.120 -0.001 0.000 0.282 132 V C 0.549 176.703 176.094 0.100 0.000 1.048 132 V CA -0.392 61.821 62.300 -0.145 0.000 0.997 132 V CB 1.015 32.476 31.823 -0.604 0.000 0.987 132 V HN 0.424 nan 8.190 nan 0.000 0.477 133 I N 4.747 125.384 120.570 0.112 0.000 2.828 133 I HA 0.060 4.230 4.170 -0.001 0.000 0.292 133 I C 0.179 176.451 176.117 0.258 0.000 1.206 133 I CA 1.015 62.426 61.300 0.185 0.000 1.420 133 I CB -0.160 37.927 38.000 0.144 0.000 1.368 133 I HN 0.798 nan 8.210 nan 0.000 0.556 134 D N 3.761 124.373 120.400 0.353 0.000 2.683 134 D HA 0.430 5.070 4.640 -0.001 0.000 0.246 134 D C 0.164 176.605 176.300 0.234 0.000 1.238 134 D CA -0.404 53.778 54.000 0.304 0.000 0.759 134 D CB 1.331 42.377 40.800 0.411 0.000 1.349 134 D HN 0.386 nan 8.370 nan 0.000 0.426 135 A N 1.177 124.078 122.820 0.135 0.000 2.168 135 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 135 A C 1.612 179.225 177.584 0.048 0.000 1.152 135 A CA 0.801 52.875 52.037 0.063 0.000 0.716 135 A CB -0.708 18.288 19.000 -0.006 0.000 0.794 135 A HN 0.623 nan 8.150 nan 0.000 0.465 136 Y N 0.400 120.600 120.300 -0.166 0.000 2.102 136 Y HA -0.187 4.363 4.550 -0.001 0.000 0.280 136 Y C 0.256 176.003 175.900 -0.255 0.000 1.178 136 Y CA 0.444 58.374 58.100 -0.282 0.000 1.146 136 Y CB -0.682 37.511 38.460 -0.446 0.000 0.968 136 Y HN 0.254 nan 8.280 nan 0.000 0.504 137 F N -0.814 119.226 119.950 0.150 0.000 2.370 137 F HA 0.249 4.775 4.527 -0.001 0.000 0.319 137 F C 1.854 177.691 175.800 0.061 0.000 1.129 137 F CA 0.027 58.037 58.000 0.016 0.000 1.109 137 F CB 0.452 39.465 39.000 0.020 0.000 1.262 137 F HN -0.352 nan 8.300 nan 0.000 0.534 138 S N 0.501 116.371 115.700 0.283 0.000 2.402 138 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 138 S C 2.193 176.824 174.600 0.051 0.000 1.021 138 S CA 0.910 59.230 58.200 0.200 0.000 0.974 138 S CB -0.455 62.943 63.200 0.330 0.000 0.800 138 S HN 0.709 nan 8.310 nan 0.000 0.484 139 A N 2.101 124.949 122.820 0.047 0.000 1.892 139 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 139 A C 2.479 180.047 177.584 -0.026 0.000 1.188 139 A CA 2.330 54.338 52.037 -0.049 0.000 0.631 139 A CB -1.580 17.425 19.000 0.008 0.000 0.822 139 A HN 0.640 nan 8.150 nan 0.000 0.447 140 T N -1.931 112.649 114.554 0.044 0.000 2.951 140 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 140 T C 1.673 176.409 174.700 0.060 0.000 1.073 140 T CA 1.419 63.550 62.100 0.051 0.000 1.134 140 T CB -0.311 68.601 68.868 0.073 0.000 0.884 140 T HN 0.592 nan 8.240 nan 0.000 0.479 141 K N 0.838 121.260 120.400 0.037 0.000 2.097 141 K HA 0.031 4.351 4.320 -0.001 0.000 0.205 141 K C 2.327 178.976 176.600 0.083 0.000 1.050 141 K CA 1.088 57.399 56.287 0.040 0.000 0.938 141 K CB -0.459 32.055 32.500 0.023 0.000 0.718 141 K HN 0.221 nan 8.250 nan 0.000 0.442 142 V N 1.527 121.436 119.914 -0.008 0.000 2.270 142 V HA -0.191 3.929 4.120 -0.001 0.000 0.245 142 V C 2.400 178.474 176.094 -0.033 0.000 1.043 142 V CA 1.467 63.725 62.300 -0.071 0.000 1.014 142 V CB -0.441 31.194 31.823 -0.313 0.000 0.645 142 V HN 0.233 nan 8.190 nan 0.000 0.447 143 R N -0.552 119.926 120.500 -0.037 0.000 2.096 143 R HA -0.256 4.083 4.340 -0.001 0.000 0.240 143 R C 1.970 178.287 176.300 0.029 0.000 1.139 143 R CA 2.164 58.253 56.100 -0.019 0.000 0.952 143 R CB -1.335 28.958 30.300 -0.011 0.000 0.854 143 R HN 0.631 nan 8.270 nan 0.000 0.436 144 W N 0.453 121.697 121.300 -0.094 0.000 2.338 144 W HA -0.166 4.493 4.660 -0.001 0.000 0.304 144 W C 1.960 178.423 176.519 -0.092 0.000 1.212 144 W CA 1.733 59.014 57.345 -0.106 0.000 1.264 144 W CB -0.259 29.108 29.460 -0.155 0.000 1.142 144 W HN 0.120 nan 8.180 nan 0.000 0.512 145 L N -0.371 120.968 121.223 0.193 0.000 2.072 145 L HA -0.188 4.152 4.340 -0.001 0.000 0.205 145 L C 2.379 179.203 176.870 -0.077 0.000 1.079 145 L CA 0.922 55.825 54.840 0.105 0.000 0.752 145 L CB -0.805 41.338 42.059 0.140 0.000 0.906 145 L HN -0.007 nan 8.230 nan 0.000 0.436 146 L N -0.631 120.547 121.223 -0.075 0.000 2.275 146 L HA -0.182 4.157 4.340 -0.001 0.000 0.215 146 L C 1.760 178.537 176.870 -0.154 0.000 1.119 146 L CA 0.740 55.516 54.840 -0.107 0.000 0.790 146 L CB -0.508 41.495 42.059 -0.093 0.000 0.919 146 L HN 0.294 nan 8.230 nan 0.000 0.443 147 D N -0.442 119.822 120.400 -0.226 0.000 2.216 147 D HA -0.061 4.579 4.640 -0.001 0.000 0.208 147 D C 1.702 177.802 176.300 -0.334 0.000 0.960 147 D CA 0.867 54.711 54.000 -0.260 0.000 0.861 147 D CB 0.107 40.715 40.800 -0.320 0.000 0.985 147 D HN 0.279 nan 8.370 nan 0.000 0.493 148 N N -0.124 118.277 118.700 -0.498 0.000 2.220 148 N HA 0.058 4.797 4.740 -0.001 0.000 0.195 148 N C -0.344 174.981 175.510 -0.310 0.000 1.123 148 N CA -0.039 52.681 53.050 -0.549 0.000 0.874 148 N CB 1.624 39.408 38.487 -1.171 0.000 0.995 148 N HN 0.076 nan 8.380 nan 0.000 0.498 149 I N 2.190 122.632 120.570 -0.213 0.000 2.330 149 I HA 0.091 4.260 4.170 -0.001 0.000 0.289 149 I C 0.355 176.421 176.117 -0.085 0.000 1.001 149 I CA -1.050 60.189 61.300 -0.100 0.000 1.193 149 I CB 0.884 38.857 38.000 -0.045 0.000 1.345 149 I HN -0.227 nan 8.210 nan 0.000 0.461 150 E N 4.834 124.996 120.200 -0.064 0.000 2.480 150 E HA 0.221 4.571 4.350 -0.001 0.000 0.258 150 E C 1.250 177.823 176.600 -0.044 0.000 0.984 150 E CA 1.049 57.417 56.400 -0.053 0.000 0.930 150 E CB 0.433 30.111 29.700 -0.036 0.000 0.936 150 E HN 0.914 nan 8.360 nan 0.000 0.466 151 G N 2.974 111.746 108.800 -0.047 0.000 2.258 151 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.233 151 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.233 151 G C 1.127 175.999 174.900 -0.046 0.000 1.006 151 G CA 0.707 45.783 45.100 -0.040 0.000 0.620 151 G HN 0.641 nan 8.290 nan 0.000 0.511 152 A N 0.002 122.790 122.820 -0.054 0.000 1.898 152 A HA 0.133 4.453 4.320 -0.001 0.000 0.216 152 A C 2.146 179.690 177.584 -0.067 0.000 1.181 152 A CA 2.507 54.509 52.037 -0.058 0.000 0.620 152 A CB -0.431 18.533 19.000 -0.061 0.000 0.819 152 A HN 0.838 nan 8.150 nan 0.000 0.442 153 Q N 0.096 119.853 119.800 -0.072 0.000 2.096 153 Q HA -0.217 4.123 4.340 -0.001 0.000 0.204 153 Q C 1.684 177.646 176.000 -0.064 0.000 0.982 153 Q CA 2.336 58.095 55.803 -0.073 0.000 0.850 153 Q CB -0.299 28.395 28.738 -0.074 0.000 0.901 153 Q HN 0.654 nan 8.270 nan 0.000 0.422 154 E N 0.265 120.432 120.200 -0.055 0.000 2.077 154 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 154 E C 1.829 178.400 176.600 -0.047 0.000 0.989 154 E CA 1.331 57.703 56.400 -0.046 0.000 0.800 154 E CB -0.115 29.562 29.700 -0.039 0.000 0.746 154 E HN 0.378 nan 8.360 nan 0.000 0.452 155 K N 0.416 120.786 120.400 -0.049 0.000 2.057 155 K HA -0.062 4.257 4.320 -0.001 0.000 0.207 155 K C 2.201 178.760 176.600 -0.068 0.000 1.049 155 K CA 1.226 57.481 56.287 -0.052 0.000 0.931 155 K CB -0.253 32.216 32.500 -0.051 0.000 0.714 155 K HN 0.137 nan 8.250 nan 0.000 0.440 156 A N 2.038 124.810 122.820 -0.080 0.000 1.908 156 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 156 A C 1.682 179.216 177.584 -0.083 0.000 1.181 156 A CA 1.958 53.937 52.037 -0.097 0.000 0.627 156 A CB -0.440 18.499 19.000 -0.102 0.000 0.818 156 A HN 0.188 nan 8.150 nan 0.000 0.445 157 D N 0.247 120.606 120.400 -0.068 0.000 2.144 157 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 157 D C 1.131 177.402 176.300 -0.048 0.000 0.984 157 D CA 1.065 55.031 54.000 -0.057 0.000 0.834 157 D CB -0.432 40.338 40.800 -0.049 0.000 0.955 157 D HN 0.347 nan 8.370 nan 0.000 0.465 158 N N 0.007 118.680 118.700 -0.045 0.000 2.609 158 N HA 0.011 4.750 4.740 -0.001 0.000 0.190 158 N C 1.292 176.778 175.510 -0.040 0.000 1.157 158 N CA 0.996 54.024 53.050 -0.037 0.000 0.918 158 N CB 0.274 38.742 38.487 -0.031 0.000 0.978 158 N HN 0.280 nan 8.380 nan 0.000 0.448 159 G N 0.401 109.167 108.800 -0.056 0.000 2.159 159 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.256 159 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.256 159 G C 0.643 175.498 174.900 -0.076 0.000 0.977 159 G CA 0.312 45.375 45.100 -0.062 0.000 0.652 159 G HN 0.461 nan 8.290 nan 0.000 0.531 160 E N -0.649 119.503 120.200 -0.079 0.000 2.479 160 E HA 0.340 4.690 4.350 -0.001 0.000 0.193 160 E C 0.837 177.354 176.600 -0.139 0.000 1.049 160 E CA 0.053 56.407 56.400 -0.077 0.000 0.870 160 E CB 0.318 29.988 29.700 -0.050 0.000 0.944 160 E HN 0.515 nan 8.360 nan 0.000 0.492 161 L N 1.575 122.685 121.223 -0.189 0.000 2.346 161 L HA 0.498 4.838 4.340 -0.001 0.000 0.274 161 L C -0.575 176.038 176.870 -0.429 0.000 1.007 161 L CA -0.736 53.937 54.840 -0.280 0.000 0.818 161 L CB 1.655 43.595 42.059 -0.198 0.000 1.284 161 L HN -0.067 nan 8.230 nan 0.000 0.424 162 L N 2.247 123.001 121.223 -0.781 0.000 2.342 162 L HA 0.511 4.851 4.340 -0.001 0.000 0.271 162 L C -0.794 175.547 176.870 -0.882 0.000 1.008 162 L CA -0.606 53.611 54.840 -1.037 0.000 0.818 162 L CB 2.331 43.237 42.059 -1.922 0.000 1.296 162 L HN 0.378 nan 8.230 nan 0.000 0.427 163 F N 1.017 120.616 119.950 -0.584 0.000 2.422 163 F HA 0.798 5.324 4.527 -0.001 0.000 0.333 163 F C 0.104 175.850 175.800 -0.090 0.000 1.095 163 F CA -0.546 57.263 58.000 -0.320 0.000 1.038 163 F CB 1.782 40.655 39.000 -0.212 0.000 1.156 163 F HN 0.333 nan 8.300 nan 0.000 0.483 164 G N 3.010 111.354 108.800 -0.759 0.000 2.753 164 G HA2 0.456 4.416 3.960 -0.001 0.000 0.297 164 G HA3 0.456 4.416 3.960 -0.001 0.000 0.297 164 G C -0.994 173.568 174.900 -0.564 0.000 1.430 164 G CA -0.473 44.319 45.100 -0.513 0.000 1.040 164 G HN 0.883 nan 8.290 nan 0.000 0.530 165 T N 0.619 114.866 114.554 -0.513 0.000 2.680 165 T HA 0.145 4.495 4.350 -0.001 0.000 0.314 165 T C 1.642 176.379 174.700 0.061 0.000 1.045 165 T CA -0.545 61.510 62.100 -0.076 0.000 1.025 165 T CB 0.756 69.635 68.868 0.020 0.000 1.000 165 T HN 0.198 nan 8.240 nan 0.000 0.535 166 I N 1.922 122.569 120.570 0.128 0.000 2.394 166 I HA -0.128 4.042 4.170 -0.001 0.000 0.251 166 I C 2.469 178.690 176.117 0.173 0.000 1.136 166 I CA 1.368 62.788 61.300 0.200 0.000 1.425 166 I CB -1.442 36.681 38.000 0.204 0.000 1.079 166 I HN 0.819 nan 8.210 nan 0.000 0.425 167 D N 0.043 120.496 120.400 0.088 0.000 2.116 167 D HA -0.227 4.413 4.640 -0.001 0.000 0.193 167 D C 2.098 178.411 176.300 0.022 0.000 0.998 167 D CA 1.732 55.748 54.000 0.027 0.000 0.836 167 D CB -0.599 40.176 40.800 -0.041 0.000 0.951 167 D HN 0.212 nan 8.370 nan 0.000 0.449 168 S N -0.649 115.084 115.700 0.056 0.000 2.368 168 S HA -0.130 4.339 4.470 -0.001 0.000 0.224 168 S C 1.596 176.348 174.600 0.253 0.000 1.029 168 S CA 1.151 59.432 58.200 0.135 0.000 0.988 168 S CB -0.787 62.483 63.200 0.118 0.000 0.838 168 S HN 0.586 nan 8.310 nan 0.000 0.462 169 W N 1.762 123.047 121.300 -0.026 0.000 2.381 169 W HA -0.106 4.553 4.660 -0.001 0.000 0.301 169 W C 1.448 177.828 176.519 -0.231 0.000 1.205 169 W CA 0.838 57.988 57.345 -0.325 0.000 1.285 169 W CB -0.385 28.889 29.460 -0.309 0.000 1.133 169 W HN 0.319 nan 8.180 nan 0.000 0.521 170 L N 0.519 121.641 121.223 -0.168 0.000 1.994 170 L HA -0.264 4.075 4.340 -0.001 0.000 0.208 170 L C 2.534 179.264 176.870 -0.235 0.000 1.071 170 L CA 1.372 56.068 54.840 -0.240 0.000 0.745 170 L CB -1.524 40.546 42.059 0.018 0.000 0.892 170 L HN -0.216 nan 8.230 nan 0.000 0.431 171 V N -1.071 118.779 119.914 -0.106 0.000 2.287 171 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 171 V C 2.163 178.191 176.094 -0.109 0.000 1.053 171 V CA 2.086 64.336 62.300 -0.084 0.000 1.027 171 V CB -0.668 31.122 31.823 -0.054 0.000 0.646 171 V HN 0.563 nan 8.190 nan 0.000 0.447 172 W N 1.129 122.281 121.300 -0.248 0.000 2.318 172 W HA -0.214 4.446 4.660 -0.001 0.000 0.313 172 W C 2.562 178.738 176.519 -0.571 0.000 1.221 172 W CA 2.063 59.232 57.345 -0.294 0.000 1.266 172 W CB -0.091 29.201 29.460 -0.280 0.000 1.150 172 W HN 0.045 nan 8.180 nan 0.000 0.496 173 K N -0.194 119.748 120.400 -0.764 0.000 2.097 173 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 173 K C 2.062 178.121 176.600 -0.901 0.000 1.050 173 K CA 1.304 56.827 56.287 -1.273 0.000 0.938 173 K CB -1.110 29.877 32.500 -2.521 0.000 0.718 173 K HN 0.331 nan 8.250 nan 0.000 0.442 174 L N 1.189 122.093 121.223 -0.532 0.000 2.156 174 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 174 L C 2.048 178.840 176.870 -0.131 0.000 1.095 174 L CA 1.411 56.190 54.840 -0.102 0.000 0.770 174 L CB -0.444 41.623 42.059 0.013 0.000 0.914 174 L HN 0.250 nan 8.230 nan 0.000 0.439 175 T N -4.943 109.465 114.554 -0.243 0.000 3.144 175 T HA 0.021 4.371 4.350 -0.001 0.000 0.249 175 T C 0.644 175.153 174.700 -0.318 0.000 1.089 175 T CA 0.150 62.116 62.100 -0.224 0.000 0.989 175 T CB -0.149 68.599 68.868 -0.199 0.000 0.992 175 T HN 0.259 nan 8.240 nan 0.000 0.540 176 D N 1.059 121.216 120.400 -0.405 0.000 2.689 176 D HA -0.140 4.499 4.640 -0.001 0.000 0.237 176 D C 1.208 177.094 176.300 -0.690 0.000 1.148 176 D CA 1.467 55.197 54.000 -0.449 0.000 0.656 176 D CB -1.587 39.077 40.800 -0.227 0.000 1.050 176 D HN 0.924 nan 8.370 nan 0.000 0.426 177 G N -0.624 107.443 108.800 -1.222 0.000 2.176 177 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.253 177 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.253 177 G C 0.924 175.329 174.900 -0.825 0.000 0.979 177 G CA 0.725 44.779 45.100 -1.744 0.000 0.641 177 G HN 0.547 nan 8.290 nan 0.000 0.530 178 Q N -0.826 118.679 119.800 -0.491 0.000 2.230 178 Q HA 0.276 4.616 4.340 -0.001 0.000 0.202 178 Q C 0.672 176.627 176.000 -0.075 0.000 0.963 178 Q CA 1.376 57.057 55.803 -0.204 0.000 0.866 178 Q CB 0.458 29.113 28.738 -0.138 0.000 0.931 178 Q HN 0.482 nan 8.270 nan 0.000 0.452 179 V N 0.472 120.346 119.914 -0.067 0.000 2.577 179 V HA 0.187 4.307 4.120 -0.001 0.000 0.303 179 V C -1.365 174.950 176.094 0.367 0.000 1.042 179 V CA -0.889 61.485 62.300 0.123 0.000 0.872 179 V CB 1.599 33.458 31.823 0.060 0.000 0.998 179 V HN 0.117 nan 8.190 nan 0.000 0.423 180 H N 3.569 122.817 119.070 0.297 0.000 2.697 180 H HA 0.772 5.327 4.556 -0.001 0.000 0.270 180 H C -1.094 174.343 175.328 0.182 0.000 1.188 180 H CA -0.245 56.011 56.048 0.347 0.000 1.322 180 H CB 1.271 31.222 29.762 0.316 0.000 1.405 180 H HN 0.466 nan 8.280 nan 0.000 0.502 181 V N 3.917 123.841 119.914 0.017 0.000 3.078 181 V HA 0.702 4.821 4.120 -0.001 0.000 0.311 181 V C -0.876 175.115 176.094 -0.172 0.000 1.138 181 V CA -0.302 61.942 62.300 -0.094 0.000 1.007 181 V CB 2.558 34.344 31.823 -0.062 0.000 1.045 181 V HN 0.786 nan 8.190 nan 0.000 0.432 182 T N 2.609 117.046 114.554 -0.194 0.000 2.883 182 T HA 0.461 4.811 4.350 -0.001 0.000 0.301 182 T C -1.477 173.045 174.700 -0.296 0.000 1.158 182 T CA -0.470 61.502 62.100 -0.214 0.000 1.007 182 T CB 1.615 70.425 68.868 -0.096 0.000 1.186 182 T HN 0.986 nan 8.240 nan 0.000 0.499 183 D N 1.760 121.980 120.400 -0.300 0.000 2.388 183 D HA 0.160 4.799 4.640 -0.001 0.000 0.254 183 D C 0.624 176.750 176.300 -0.290 0.000 1.111 183 D CA -0.481 53.338 54.000 -0.301 0.000 0.993 183 D CB 0.794 41.488 40.800 -0.176 0.000 1.118 183 D HN 0.531 nan 8.370 nan 0.000 0.502 184 Y N 0.292 120.473 120.300 -0.198 0.000 2.207 184 Y HA -0.253 4.297 4.550 -0.001 0.000 0.287 184 Y C 3.021 178.770 175.900 -0.251 0.000 1.156 184 Y CA 1.754 59.678 58.100 -0.293 0.000 1.182 184 Y CB -0.766 37.591 38.460 -0.172 0.000 0.979 184 Y HN 0.526 nan 8.280 nan 0.000 0.521 185 S N -0.309 115.416 115.700 0.041 0.000 2.368 185 S HA -0.178 4.291 4.470 -0.001 0.000 0.224 185 S C 1.874 176.456 174.600 -0.028 0.000 1.029 185 S CA 1.304 59.514 58.200 0.017 0.000 0.988 185 S CB -0.531 62.711 63.200 0.070 0.000 0.838 185 S HN 0.458 nan 8.310 nan 0.000 0.462 186 N N 2.155 120.822 118.700 -0.055 0.000 2.216 186 N HA 0.085 4.824 4.740 -0.001 0.000 0.183 186 N C 2.040 177.525 175.510 -0.042 0.000 1.017 186 N CA 1.287 54.317 53.050 -0.033 0.000 0.861 186 N CB -0.637 37.829 38.487 -0.035 0.000 0.986 186 N HN 0.616 nan 8.380 nan 0.000 0.428 187 A N 1.041 123.748 122.820 -0.189 0.000 1.972 187 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 187 A C 2.356 179.794 177.584 -0.243 0.000 1.169 187 A CA 1.964 53.792 52.037 -0.348 0.000 0.635 187 A CB -0.636 17.704 19.000 -1.100 0.000 0.810 187 A HN 0.460 nan 8.150 nan 0.000 0.446 188 S N -0.589 114.999 115.700 -0.187 0.000 2.447 188 S HA -0.076 4.394 4.470 -0.001 0.000 0.233 188 S C 1.674 176.273 174.600 -0.002 0.000 1.006 188 S CA 0.699 58.893 58.200 -0.010 0.000 0.957 188 S CB -0.316 62.888 63.200 0.006 0.000 0.773 188 S HN 0.553 nan 8.310 nan 0.000 0.507 189 R N 1.453 121.970 120.500 0.027 0.000 2.313 189 R HA 0.076 4.416 4.340 -0.001 0.000 0.199 189 R C 1.971 178.373 176.300 0.170 0.000 0.958 189 R CA 1.175 57.320 56.100 0.075 0.000 1.047 189 R CB -0.926 29.440 30.300 0.110 0.000 0.955 189 R HN 0.806 nan 8.270 nan 0.000 0.481 190 T N -2.455 112.222 114.554 0.205 0.000 3.088 190 T HA 0.011 4.360 4.350 -0.001 0.000 0.259 190 T C 1.334 176.147 174.700 0.188 0.000 1.122 190 T CA 0.243 62.520 62.100 0.294 0.000 1.095 190 T CB -0.034 69.121 68.868 0.479 0.000 0.930 190 T HN 0.188 nan 8.240 nan 0.000 0.508 191 M N -0.466 119.178 119.600 0.074 0.000 2.811 191 M HA -0.172 4.307 4.480 -0.001 0.000 0.183 191 M C -0.037 176.314 176.300 0.086 0.000 0.618 191 M CA 0.746 56.050 55.300 0.007 0.000 0.633 191 M CB -1.226 31.389 32.600 0.025 0.000 2.305 191 M HN 0.409 nan 8.290 nan 0.000 0.472 192 L N -1.372 119.976 121.223 0.209 0.000 2.817 192 L HA 0.247 4.587 4.340 -0.001 0.000 0.248 192 L C 0.118 177.266 176.870 0.462 0.000 1.133 192 L CA -0.210 54.793 54.840 0.272 0.000 0.935 192 L CB 0.538 42.758 42.059 0.269 0.000 1.266 192 L HN 0.356 nan 8.230 nan 0.000 0.535 193 Y N 1.245 121.661 120.300 0.194 0.000 2.352 193 Y HA 0.375 4.925 4.550 -0.001 0.000 0.339 193 Y C 0.030 175.905 175.900 -0.041 0.000 0.992 193 Y CA -1.236 56.874 58.100 0.017 0.000 1.100 193 Y CB 1.115 39.435 38.460 -0.233 0.000 1.192 193 Y HN -0.101 nan 8.280 nan 0.000 0.458 194 N N 6.647 125.070 118.700 -0.461 0.000 2.406 194 N HA 0.058 4.798 4.740 -0.001 0.000 0.251 194 N C 0.711 175.936 175.510 -0.476 0.000 1.069 194 N CA -0.087 52.769 53.050 -0.323 0.000 0.947 194 N CB 0.465 38.816 38.487 -0.226 0.000 1.111 194 N HN 0.909 nan 8.380 nan 0.000 0.497 195 I N 0.975 121.380 120.570 -0.274 0.000 3.111 195 I HA -0.009 4.161 4.170 -0.001 0.000 0.272 195 I C 0.689 176.638 176.117 -0.279 0.000 1.268 195 I CA 0.559 61.739 61.300 -0.200 0.000 1.467 195 I CB -0.199 37.731 38.000 -0.116 0.000 1.087 195 I HN 0.379 nan 8.210 nan 0.000 0.467 196 H N 1.323 120.336 119.070 -0.095 0.000 2.306 196 H HA 0.093 4.648 4.556 -0.001 0.000 0.307 196 H C 1.943 177.210 175.328 -0.102 0.000 1.061 196 H CA 1.281 57.268 56.048 -0.102 0.000 1.359 196 H CB 0.006 29.680 29.762 -0.146 0.000 1.407 196 H HN 0.161 nan 8.280 nan 0.000 0.517 197 K N 0.804 121.182 120.400 -0.036 0.000 2.486 197 K HA 0.030 4.349 4.320 -0.001 0.000 0.194 197 K C -0.383 176.129 176.600 -0.148 0.000 1.033 197 K CA 0.208 56.450 56.287 -0.077 0.000 1.004 197 K CB 0.129 32.583 32.500 -0.077 0.000 0.798 197 K HN 0.238 nan 8.250 nan 0.000 0.495 198 L N 1.494 122.561 121.223 -0.260 0.000 3.533 198 L HA -0.277 4.062 4.340 -0.001 0.000 0.477 198 L C -0.837 175.848 176.870 -0.308 0.000 1.306 198 L CA 0.679 55.366 54.840 -0.255 0.000 0.850 198 L CB -1.837 40.169 42.059 -0.089 0.000 1.654 198 L HN 0.389 nan 8.230 nan 0.000 0.863 199 E N -2.044 117.738 120.200 -0.698 0.000 2.412 199 E HA 0.472 4.821 4.350 -0.001 0.000 0.279 199 E C -0.920 175.355 176.600 -0.541 0.000 0.984 199 E CA -1.223 54.934 56.400 -0.405 0.000 0.788 199 E CB 0.640 30.259 29.700 -0.134 0.000 1.277 199 E HN 0.156 nan 8.360 nan 0.000 0.455 200 W N 1.283 122.603 121.300 0.034 0.000 2.231 200 W HA 0.124 4.783 4.660 -0.001 0.000 0.341 200 W C 0.213 176.716 176.519 -0.026 0.000 1.298 200 W CA 0.318 57.717 57.345 0.091 0.000 1.266 200 W CB 0.405 29.946 29.460 0.134 0.000 1.172 200 W HN 0.568 nan 8.180 nan 0.000 0.568 201 D N 2.079 122.629 120.400 0.251 0.000 2.380 201 D HA 0.009 4.648 4.640 -0.001 0.000 0.230 201 D C 1.084 177.432 176.300 0.080 0.000 1.154 201 D CA -0.189 53.870 54.000 0.097 0.000 0.859 201 D CB 1.106 41.934 40.800 0.048 0.000 1.045 201 D HN 0.328 nan 8.370 nan 0.000 0.495 202 Q N 2.822 122.655 119.800 0.056 0.000 2.135 202 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 202 Q C 1.513 177.515 176.000 0.003 0.000 0.981 202 Q CA 1.665 57.486 55.803 0.030 0.000 0.856 202 Q CB 0.069 28.823 28.738 0.026 0.000 0.902 202 Q HN 0.738 nan 8.270 nan 0.000 0.425 203 E N -0.570 119.628 120.200 -0.003 0.000 2.047 203 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 203 E C 1.855 178.427 176.600 -0.045 0.000 0.987 203 E CA 1.244 57.631 56.400 -0.022 0.000 0.799 203 E CB -0.176 29.514 29.700 -0.017 0.000 0.752 203 E HN 0.488 nan 8.360 nan 0.000 0.449 204 I N 1.028 121.576 120.570 -0.036 0.000 2.208 204 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 204 I C 2.438 178.516 176.117 -0.063 0.000 1.097 204 I CA 0.944 62.209 61.300 -0.058 0.000 1.363 204 I CB -0.225 37.762 38.000 -0.021 0.000 1.051 204 I HN 0.210 nan 8.210 nan 0.000 0.413 205 L N 0.204 121.403 121.223 -0.041 0.000 1.989 205 L HA -0.266 4.073 4.340 -0.001 0.000 0.211 205 L C 2.238 179.066 176.870 -0.069 0.000 1.071 205 L CA 1.439 56.240 54.840 -0.065 0.000 0.749 205 L CB -0.776 41.253 42.059 -0.050 0.000 0.890 205 L HN 0.267 nan 8.230 nan 0.000 0.431 206 D N -0.094 120.273 120.400 -0.054 0.000 2.149 206 D HA -0.192 4.448 4.640 -0.001 0.000 0.198 206 D C 2.033 178.296 176.300 -0.062 0.000 0.990 206 D CA 1.039 55.008 54.000 -0.051 0.000 0.839 206 D CB -0.236 40.542 40.800 -0.037 0.000 0.948 206 D HN 0.134 nan 8.370 nan 0.000 0.460 207 L N 0.204 121.377 121.223 -0.084 0.000 2.083 207 L HA -0.072 4.268 4.340 -0.001 0.000 0.209 207 L C 1.747 178.559 176.870 -0.097 0.000 1.083 207 L CA 1.521 56.292 54.840 -0.114 0.000 0.752 207 L CB -0.308 41.621 42.059 -0.216 0.000 0.899 207 L HN 0.007 nan 8.230 nan 0.000 0.433 208 L N -0.326 120.842 121.223 -0.093 0.000 2.628 208 L HA 0.142 4.482 4.340 -0.001 0.000 0.229 208 L C 0.608 177.433 176.870 -0.076 0.000 1.137 208 L CA 0.103 54.897 54.840 -0.077 0.000 0.909 208 L CB -0.347 41.663 42.059 -0.082 0.000 1.137 208 L HN 0.428 nan 8.230 nan 0.000 0.470 209 N N 1.333 119.989 118.700 -0.073 0.000 2.738 209 N HA -0.221 4.519 4.740 -0.001 0.000 0.249 209 N C -0.621 174.835 175.510 -0.089 0.000 1.047 209 N CA 0.527 53.534 53.050 -0.071 0.000 0.707 209 N CB -1.216 37.233 38.487 -0.063 0.000 0.937 209 N HN 0.313 nan 8.380 nan 0.000 0.545 210 I N 1.120 121.626 120.570 -0.106 0.000 2.312 210 I HA 0.333 4.502 4.170 -0.001 0.000 0.290 210 I C -1.845 174.193 176.117 -0.131 0.000 1.008 210 I CA -1.928 59.289 61.300 -0.138 0.000 1.226 210 I CB 1.391 39.275 38.000 -0.194 0.000 1.371 210 I HN -0.003 nan 8.210 nan 0.000 0.468 211 P HA 0.049 nan 4.420 nan 0.000 0.271 211 P C 0.615 177.834 177.300 -0.136 0.000 1.216 211 P CA -0.256 62.779 63.100 -0.108 0.000 0.771 211 P CB 0.866 32.510 31.700 -0.094 0.000 0.864 212 S N 0.475 116.105 115.700 -0.117 0.000 2.603 212 S HA -0.097 4.372 4.470 -0.001 0.000 0.229 212 S C 1.522 176.045 174.600 -0.128 0.000 0.972 212 S CA 0.793 58.906 58.200 -0.146 0.000 0.935 212 S CB -1.123 62.021 63.200 -0.093 0.000 0.769 212 S HN 0.488 nan 8.310 nan 0.000 0.536 213 S N 1.734 117.377 115.700 -0.096 0.000 2.474 213 S HA 0.055 4.525 4.470 -0.001 0.000 0.235 213 S C 1.703 176.241 174.600 -0.104 0.000 0.997 213 S CA 0.691 58.845 58.200 -0.076 0.000 0.949 213 S CB -0.760 62.400 63.200 -0.066 0.000 0.766 213 S HN 0.552 nan 8.310 nan 0.000 0.517 214 M N 0.752 120.267 119.600 -0.142 0.000 2.476 214 M HA 0.205 4.685 4.480 -0.001 0.000 0.262 214 M C 0.000 176.258 176.300 -0.070 0.000 1.079 214 M CA 0.732 55.941 55.300 -0.151 0.000 1.104 214 M CB -0.353 32.156 32.600 -0.151 0.000 1.409 214 M HN 0.293 nan 8.290 nan 0.000 0.467 215 L N 1.493 122.626 121.223 -0.150 0.000 2.325 215 L HA 0.406 4.745 4.340 -0.001 0.000 0.279 215 L C -2.105 174.660 176.870 -0.175 0.000 1.054 215 L CA -2.219 52.431 54.840 -0.317 0.000 0.804 215 L CB 0.554 42.028 42.059 -0.975 0.000 1.200 215 L HN -0.152 nan 8.230 nan 0.000 0.436 216 P HA 0.077 nan 4.420 nan 0.000 0.276 216 P C -0.690 176.693 177.300 0.139 0.000 1.244 216 P CA -0.537 62.332 63.100 -0.385 0.000 0.801 216 P CB 0.775 32.068 31.700 -0.679 0.000 1.006 217 E N 0.317 120.581 120.200 0.106 0.000 2.414 217 E HA 0.129 4.479 4.350 -0.001 0.000 0.263 217 E C -0.634 176.012 176.600 0.077 0.000 1.000 217 E CA -0.183 56.314 56.400 0.162 0.000 0.914 217 E CB 0.458 30.217 29.700 0.098 0.000 0.948 217 E HN 0.129 nan 8.360 nan 0.000 0.444 218 V N 5.068 124.991 119.914 0.016 0.000 2.472 218 V HA 0.361 4.481 4.120 -0.001 0.000 0.290 218 V C 0.235 176.159 176.094 -0.283 0.000 1.037 218 V CA -0.388 61.780 62.300 -0.219 0.000 0.908 218 V CB 1.514 33.098 31.823 -0.398 0.000 0.985 218 V HN 0.656 nan 8.190 nan 0.000 0.454 219 K N 1.429 121.582 120.400 -0.412 0.000 2.372 219 K HA 0.608 4.927 4.320 -0.001 0.000 0.251 219 K C 0.034 176.212 176.600 -0.702 0.000 1.055 219 K CA -0.638 55.410 56.287 -0.398 0.000 0.879 219 K CB 2.077 34.577 32.500 -0.001 0.000 1.384 219 K HN 0.766 nan 8.250 nan 0.000 0.465 220 S N -0.407 115.071 115.700 -0.370 0.000 2.633 220 S HA 0.100 4.570 4.470 -0.001 0.000 0.257 220 S C 0.553 175.173 174.600 0.034 0.000 1.265 220 S CA -0.278 57.824 58.200 -0.163 0.000 0.980 220 S CB 0.280 63.523 63.200 0.071 0.000 1.017 220 S HN 0.579 nan 8.310 nan 0.000 0.577 221 N N -0.040 118.725 118.700 0.108 0.000 2.336 221 N HA 0.088 4.827 4.740 -0.001 0.000 0.189 221 N C -0.311 175.225 175.510 0.043 0.000 1.113 221 N CA 0.265 53.371 53.050 0.093 0.000 0.858 221 N CB 0.601 39.119 38.487 0.051 0.000 0.970 221 N HN 0.531 nan 8.380 nan 0.000 0.471 222 S N 0.915 116.613 115.700 -0.004 0.000 2.356 222 S HA 0.178 4.647 4.470 -0.001 0.000 0.171 222 S C -1.223 173.272 174.600 -0.175 0.000 1.399 222 S CA -0.640 57.506 58.200 -0.090 0.000 1.225 222 S CB -0.015 63.132 63.200 -0.088 0.000 1.271 222 S HN 0.365 nan 8.310 nan 0.000 0.427 223 E N 0.585 120.538 120.200 -0.412 0.000 2.422 223 E HA 0.435 4.785 4.350 -0.001 0.000 0.280 223 E C -1.653 174.496 176.600 -0.752 0.000 1.091 223 E CA -1.156 54.970 56.400 -0.456 0.000 0.849 223 E CB 0.820 30.317 29.700 -0.340 0.000 1.353 223 E HN 0.135 nan 8.360 nan 0.000 0.449 224 V N 2.638 122.258 119.914 -0.490 0.000 2.408 224 V HA 0.071 4.191 4.120 -0.001 0.000 0.267 224 V C -0.084 175.729 176.094 -0.469 0.000 1.047 224 V CA -0.006 62.015 62.300 -0.464 0.000 0.937 224 V CB -0.184 31.469 31.823 -0.284 0.000 0.999 224 V HN 0.667 nan 8.190 nan 0.000 0.472 225 Y N 3.549 123.755 120.300 -0.157 0.000 2.420 225 Y HA 0.437 4.986 4.550 -0.001 0.000 0.292 225 Y C 1.493 177.311 175.900 -0.137 0.000 1.119 225 Y CA 0.769 58.795 58.100 -0.123 0.000 1.229 225 Y CB 0.302 38.702 38.460 -0.100 0.000 1.026 225 Y HN 0.776 nan 8.280 nan 0.000 0.554 226 G N -1.699 107.015 108.800 -0.142 0.000 2.327 226 G HA2 0.339 4.299 3.960 -0.001 0.000 0.291 226 G HA3 0.339 4.299 3.960 -0.001 0.000 0.291 226 G C -2.175 172.445 174.900 -0.468 0.000 1.290 226 G CA -1.025 43.970 45.100 -0.174 0.000 0.857 226 G HN 0.092 nan 8.290 nan 0.000 0.520 227 H N -0.656 118.371 119.070 -0.071 0.000 2.895 227 H HA 0.660 5.216 4.556 -0.001 0.000 0.373 227 H C 0.480 175.726 175.328 -0.136 0.000 1.174 227 H CA 0.113 56.094 56.048 -0.111 0.000 1.144 227 H CB 1.846 31.545 29.762 -0.104 0.000 1.793 227 H HN 0.749 nan 8.280 nan 0.000 0.551 228 T N -0.591 113.910 114.554 -0.090 0.000 2.900 228 T HA 0.219 4.569 4.350 -0.001 0.000 0.307 228 T C 0.340 175.008 174.700 -0.053 0.000 1.065 228 T CA -0.755 61.275 62.100 -0.117 0.000 1.105 228 T CB 0.828 69.534 68.868 -0.269 0.000 0.979 228 T HN 0.707 nan 8.240 nan 0.000 0.544 229 R N 0.905 121.387 120.500 -0.031 0.000 2.721 229 R HA 0.509 4.849 4.340 -0.001 0.000 0.272 229 R C -1.360 174.971 176.300 0.053 0.000 1.721 229 R CA -0.296 55.774 56.100 -0.050 0.000 1.325 229 R CB 0.559 30.810 30.300 -0.082 0.000 1.271 229 R HN 0.725 nan 8.270 nan 0.000 0.556 230 S N 1.913 117.702 115.700 0.149 0.000 2.560 230 S HA 0.058 4.528 4.470 -0.001 0.000 0.283 230 S C -0.203 174.641 174.600 0.408 0.000 1.141 230 S CA -0.719 57.685 58.200 0.340 0.000 0.902 230 S CB 0.696 64.175 63.200 0.464 0.000 1.104 230 S HN 0.527 nan 8.310 nan 0.000 0.454 231 Y N 4.427 124.927 120.300 0.334 0.000 1.997 231 Y HA -0.308 4.241 4.550 -0.001 0.000 0.265 231 Y C 2.148 178.145 175.900 0.162 0.000 1.193 231 Y CA 3.105 61.359 58.100 0.256 0.000 1.106 231 Y CB -0.705 37.815 38.460 0.101 0.000 0.940 231 Y HN 0.773 nan 8.280 nan 0.000 0.494 232 A N -1.271 121.431 122.820 -0.196 0.000 2.119 232 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 232 A C 1.575 178.886 177.584 -0.454 0.000 1.153 232 A CA 1.156 52.934 52.037 -0.431 0.000 0.692 232 A CB -1.155 17.660 19.000 -0.307 0.000 0.799 232 A HN 0.517 nan 8.150 nan 0.000 0.458 233 F N -2.216 117.740 119.950 0.011 0.000 2.693 233 F HA 0.239 4.766 4.527 -0.000 0.000 0.303 233 F C 0.561 176.306 175.800 -0.091 0.000 1.097 233 F CA -0.942 57.043 58.000 -0.025 0.000 1.330 233 F CB -0.565 38.467 39.000 0.052 0.000 1.067 233 F HN 0.269 nan 8.300 nan 0.000 0.565 234 Y N 0.895 121.138 120.300 -0.094 0.000 2.717 234 Y HA 0.295 4.845 4.550 -0.001 0.000 0.330 234 Y C 1.433 177.307 175.900 -0.042 0.000 1.217 234 Y CA 0.852 58.925 58.100 -0.046 0.000 1.506 234 Y CB 0.466 38.868 38.460 -0.097 0.000 1.268 234 Y HN 0.354 nan 8.280 nan 0.000 0.561 235 G N 2.727 111.245 108.800 -0.470 0.000 2.225 235 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.254 235 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.254 235 G C 0.056 174.866 174.900 -0.150 0.000 0.988 235 G CA 0.228 45.167 45.100 -0.268 0.000 0.625 235 G HN 0.702 nan 8.290 nan 0.000 0.527 236 S N 0.782 116.425 115.700 -0.095 0.000 2.462 236 S HA 0.529 4.999 4.470 -0.001 0.000 0.294 236 S C -0.135 174.422 174.600 -0.070 0.000 1.144 236 S CA -0.483 57.682 58.200 -0.058 0.000 1.088 236 S CB 1.618 64.811 63.200 -0.012 0.000 1.009 236 S HN 0.386 nan 8.310 nan 0.000 0.484 237 E N 2.180 122.334 120.200 -0.077 0.000 2.079 237 E HA 0.242 4.592 4.350 -0.001 0.000 0.252 237 E C -0.855 175.761 176.600 0.027 0.000 0.992 237 E CA -0.333 56.033 56.400 -0.056 0.000 0.829 237 E CB 0.594 30.217 29.700 -0.129 0.000 1.158 237 E HN 0.287 nan 8.360 nan 0.000 0.435 238 V N 4.090 123.973 119.914 -0.051 0.000 2.555 238 V HA 0.146 4.265 4.120 -0.001 0.000 0.286 238 V C -2.051 173.997 176.094 -0.077 0.000 1.044 238 V CA -1.922 60.329 62.300 -0.082 0.000 1.026 238 V CB 0.603 32.261 31.823 -0.274 0.000 0.981 238 V HN 0.450 nan 8.190 nan 0.000 0.480 239 P HA 0.276 nan 4.420 nan 0.000 0.271 239 P C -0.499 176.660 177.300 -0.235 0.000 1.220 239 P CA -0.017 62.927 63.100 -0.261 0.000 0.768 239 P CB 0.404 32.011 31.700 -0.156 0.000 0.848 240 I N 2.587 123.008 120.570 -0.248 0.000 2.297 240 I HA 0.367 4.537 4.170 -0.001 0.000 0.291 240 I C 0.961 177.063 176.117 -0.025 0.000 1.033 240 I CA 0.023 61.269 61.300 -0.090 0.000 1.253 240 I CB 0.993 38.971 38.000 -0.036 0.000 1.396 240 I HN 0.384 nan 8.210 nan 0.000 0.476 241 A N 4.889 127.702 122.820 -0.013 0.000 2.600 241 A HA 0.611 4.930 4.320 -0.001 0.000 0.252 241 A C 0.619 178.178 177.584 -0.041 0.000 1.200 241 A CA -0.042 51.908 52.037 -0.145 0.000 0.981 241 A CB 0.548 19.468 19.000 -0.134 0.000 1.207 241 A HN 0.708 nan 8.150 nan 0.000 0.577 242 G N 0.002 108.911 108.800 0.181 0.000 2.740 242 G HA2 0.584 4.544 3.960 -0.001 0.000 0.296 242 G HA3 0.584 4.544 3.960 -0.001 0.000 0.296 242 G C -1.110 173.903 174.900 0.187 0.000 1.439 242 G CA -0.315 44.871 45.100 0.143 0.000 1.066 242 G HN 0.041 nan 8.290 nan 0.000 0.527 243 M N 0.847 120.522 119.600 0.126 0.000 2.322 243 M HA 0.645 5.124 4.480 -0.001 0.000 0.285 243 M C -0.911 175.374 176.300 -0.026 0.000 1.119 243 M CA -0.617 54.679 55.300 -0.007 0.000 0.953 243 M CB 2.506 34.982 32.600 -0.207 0.000 1.701 243 M HN 0.928 nan 8.290 nan 0.000 0.479 244 A N 1.594 124.400 122.820 -0.024 0.000 2.589 244 A HA 0.816 5.135 4.320 -0.001 0.000 0.296 244 A C -0.328 177.258 177.584 0.004 0.000 1.062 244 A CA -0.467 51.568 52.037 -0.003 0.000 0.686 244 A CB 1.356 20.358 19.000 0.004 0.000 1.282 244 A HN 0.946 nan 8.150 nan 0.000 0.404 245 G N 0.741 109.545 108.800 0.007 0.000 2.484 245 G HA2 0.331 4.291 3.960 -0.001 0.000 0.235 245 G HA3 0.331 4.291 3.960 -0.001 0.000 0.235 245 G C 0.571 175.471 174.900 -0.001 0.000 1.282 245 G CA 0.591 45.689 45.100 -0.003 0.000 0.857 245 G HN 0.967 nan 8.290 nan 0.000 0.571 246 D N 1.035 121.425 120.400 -0.017 0.000 2.133 246 D HA -0.217 4.423 4.640 -0.001 0.000 0.195 246 D C 1.859 178.158 176.300 -0.003 0.000 0.997 246 D CA 1.513 55.511 54.000 -0.002 0.000 0.840 246 D CB -0.151 40.650 40.800 0.002 0.000 0.947 246 D HN 0.399 nan 8.370 nan 0.000 0.452 247 Q N -0.107 119.658 119.800 -0.058 0.000 2.172 247 Q HA -0.072 4.267 4.340 -0.001 0.000 0.200 247 Q C 2.262 178.301 176.000 0.064 0.000 0.964 247 Q CA 1.127 56.921 55.803 -0.015 0.000 0.855 247 Q CB -0.346 28.345 28.738 -0.079 0.000 0.918 247 Q HN 0.485 nan 8.270 nan 0.000 0.444 248 Q N 0.515 120.361 119.800 0.077 0.000 2.123 248 Q HA 0.022 4.361 4.340 -0.001 0.000 0.199 248 Q C 2.017 178.125 176.000 0.179 0.000 0.966 248 Q CA 1.437 57.337 55.803 0.162 0.000 0.845 248 Q CB -0.328 28.518 28.738 0.180 0.000 0.907 248 Q HN 0.410 nan 8.270 nan 0.000 0.439 249 A N 0.773 123.659 122.820 0.109 0.000 1.902 249 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 249 A C 2.273 179.926 177.584 0.115 0.000 1.181 249 A CA 1.574 53.671 52.037 0.099 0.000 0.623 249 A CB -1.005 18.023 19.000 0.046 0.000 0.818 249 A HN 0.381 nan 8.150 nan 0.000 0.443 250 A N -0.291 122.581 122.820 0.086 0.000 1.892 250 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 250 A C 2.165 179.793 177.584 0.074 0.000 1.188 250 A CA 1.822 53.901 52.037 0.069 0.000 0.631 250 A CB -0.735 18.306 19.000 0.068 0.000 0.822 250 A HN 0.733 nan 8.150 nan 0.000 0.447 251 L N -2.018 119.275 121.223 0.117 0.000 2.042 251 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 251 L C 2.240 179.178 176.870 0.113 0.000 1.076 251 L CA 2.188 57.105 54.840 0.130 0.000 0.749 251 L CB -0.453 41.732 42.059 0.210 0.000 0.893 251 L HN 0.413 nan 8.230 nan 0.000 0.432 252 F N -0.080 119.885 119.950 0.026 0.000 2.113 252 F HA -0.009 4.517 4.527 -0.001 0.000 0.297 252 F C 2.259 178.074 175.800 0.026 0.000 1.103 252 F CA 1.597 59.607 58.000 0.016 0.000 1.248 252 F CB -0.752 38.205 39.000 -0.072 0.000 0.999 252 F HN 0.122 nan 8.300 nan 0.000 0.475 253 G N -0.933 107.934 108.800 0.111 0.000 2.471 253 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.219 253 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.219 253 G C 1.398 176.256 174.900 -0.070 0.000 1.125 253 G CA 0.298 45.374 45.100 -0.040 0.000 0.775 253 G HN 0.304 nan 8.290 nan 0.000 0.548 254 Q N -0.447 119.278 119.800 -0.125 0.000 2.435 254 Q HA 0.102 4.442 4.340 -0.001 0.000 0.207 254 Q C 1.287 177.058 176.000 -0.382 0.000 0.956 254 Q CA 0.258 55.955 55.803 -0.176 0.000 0.917 254 Q CB -0.139 28.530 28.738 -0.115 0.000 0.997 254 Q HN 0.573 nan 8.270 nan 0.000 0.497 255 M N -1.197 117.968 119.600 -0.724 0.000 2.732 255 M HA -0.198 4.282 4.480 -0.001 0.000 0.207 255 M C -0.249 175.187 176.300 -1.439 0.000 0.513 255 M CA 0.719 55.040 55.300 -1.632 0.000 0.652 255 M CB -2.159 29.893 32.600 -0.914 0.000 2.410 255 M HN 0.123 nan 8.290 nan 0.000 0.660 256 A N 0.059 122.372 122.820 -0.845 0.000 3.015 256 A HA 0.543 4.862 4.320 -0.001 0.000 0.293 256 A C 0.477 177.963 177.584 -0.165 0.000 1.572 256 A CA -0.328 51.485 52.037 -0.374 0.000 1.274 256 A CB -0.573 18.352 19.000 -0.125 0.000 1.156 256 A HN 0.414 nan 8.150 nan 0.000 0.562 257 F N 0.037 119.930 119.950 -0.095 0.000 2.678 257 F HA 0.182 4.709 4.527 -0.001 0.000 0.291 257 F C 0.931 176.686 175.800 -0.076 0.000 1.123 257 F CA -0.155 57.783 58.000 -0.103 0.000 1.395 257 F CB 0.075 38.947 39.000 -0.213 0.000 1.121 257 F HN 0.332 nan 8.300 nan 0.000 0.592 258 E N 1.276 121.543 120.200 0.113 0.000 2.231 258 E HA 0.112 4.461 4.350 -0.001 0.000 0.277 258 E C -0.112 176.540 176.600 0.086 0.000 0.999 258 E CA -0.680 55.774 56.400 0.090 0.000 0.827 258 E CB 1.468 31.202 29.700 0.057 0.000 1.101 258 E HN 0.029 nan 8.360 nan 0.000 0.393 259 K N 0.299 120.761 120.400 0.103 0.000 2.543 259 K HA -0.063 4.256 4.320 -0.001 0.000 0.279 259 K C 0.927 177.565 176.600 0.063 0.000 1.001 259 K CA 1.404 57.747 56.287 0.093 0.000 1.088 259 K CB -0.118 32.436 32.500 0.090 0.000 0.863 259 K HN 0.735 nan 8.250 nan 0.000 0.488 260 G N 3.303 112.138 108.800 0.060 0.000 2.284 260 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.230 260 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.230 260 G C 0.174 175.094 174.900 0.033 0.000 1.021 260 G CA 0.117 45.242 45.100 0.042 0.000 0.619 260 G HN 0.571 nan 8.290 nan 0.000 0.510 261 M N 1.038 120.656 119.600 0.031 0.000 2.228 261 M HA 0.572 5.052 4.480 -0.001 0.000 0.351 261 M C 0.220 176.533 176.300 0.021 0.000 1.233 261 M CA 0.483 55.787 55.300 0.007 0.000 1.129 261 M CB 1.191 33.777 32.600 -0.024 0.000 1.604 261 M HN 0.352 nan 8.290 nan 0.000 0.457 262 I N 3.426 124.003 120.570 0.012 0.000 2.686 262 I HA 0.544 4.713 4.170 -0.001 0.000 0.295 262 I C -1.303 174.823 176.117 0.016 0.000 1.114 262 I CA -0.760 60.554 61.300 0.024 0.000 1.038 262 I CB 1.847 39.862 38.000 0.024 0.000 1.238 262 I HN 0.694 nan 8.210 nan 0.000 0.420 263 K N 4.753 125.168 120.400 0.025 0.000 2.444 263 K HA 0.577 4.897 4.320 -0.001 0.000 0.252 263 K C -1.391 175.212 176.600 0.006 0.000 0.993 263 K CA -0.777 55.523 56.287 0.022 0.000 0.847 263 K CB 1.285 33.798 32.500 0.023 0.000 1.340 263 K HN 0.369 nan 8.250 nan 0.000 0.446 264 N N -0.049 118.643 118.700 -0.013 0.000 2.296 264 N HA 0.396 5.136 4.740 -0.001 0.000 0.294 264 N C -1.509 173.902 175.510 -0.164 0.000 1.033 264 N CA -0.434 52.525 53.050 -0.151 0.000 0.839 264 N CB 2.019 40.333 38.487 -0.288 0.000 1.395 264 N HN 0.695 nan 8.380 nan 0.000 0.479 265 T N 3.382 117.851 114.554 -0.142 0.000 2.767 265 T HA 0.328 4.678 4.350 -0.001 0.000 0.288 265 T C -0.665 173.921 174.700 -0.190 0.000 0.963 265 T CA 0.016 62.089 62.100 -0.046 0.000 1.019 265 T CB 0.116 69.040 68.868 0.094 0.000 0.923 265 T HN 0.259 nan 8.240 nan 0.000 0.468 266 Y N 2.072 122.411 120.300 0.065 0.000 2.417 266 Y HA 0.606 5.156 4.550 -0.001 0.000 0.336 266 Y C 0.865 176.813 175.900 0.080 0.000 0.961 266 Y CA -0.431 57.692 58.100 0.038 0.000 1.215 266 Y CB 1.249 39.709 38.460 0.000 0.000 1.120 266 Y HN 0.916 nan 8.280 nan 0.000 0.499 267 G N 0.317 109.245 108.800 0.213 0.000 3.003 267 G HA2 0.136 4.095 3.960 -0.001 0.000 0.243 267 G HA3 0.136 4.095 3.960 -0.001 0.000 0.243 267 G C 0.583 175.631 174.900 0.248 0.000 1.176 267 G CA -0.283 44.955 45.100 0.229 0.000 0.812 267 G HN 0.278 nan 8.290 nan 0.000 0.584 268 T N 0.368 115.111 114.554 0.316 0.000 2.665 268 T HA 0.079 4.428 4.350 -0.001 0.000 0.268 268 T C 1.259 176.202 174.700 0.404 0.000 1.035 268 T CA 1.896 64.221 62.100 0.375 0.000 1.151 268 T CB -0.559 68.614 68.868 0.508 0.000 0.862 268 T HN 0.791 nan 8.240 nan 0.000 0.438 269 G N -0.538 108.546 108.800 0.472 0.000 2.597 269 G HA2 0.681 4.641 3.960 -0.001 0.000 0.317 269 G HA3 0.681 4.641 3.960 -0.001 0.000 0.317 269 G C -1.441 173.330 174.900 -0.215 0.000 1.230 269 G CA -0.343 44.851 45.100 0.157 0.000 0.996 269 G HN 0.479 nan 8.290 nan 0.000 0.490 270 A N -0.596 121.782 122.820 -0.737 0.000 2.365 270 A HA 0.832 5.151 4.320 -0.001 0.000 0.318 270 A C -1.603 175.311 177.584 -1.117 0.000 1.091 270 A CA -0.621 51.010 52.037 -0.676 0.000 0.763 270 A CB 0.950 19.658 19.000 -0.486 0.000 1.248 270 A HN 0.588 nan 8.150 nan 0.000 0.442 271 F N 2.117 121.951 119.950 -0.193 0.000 2.577 271 F HA 0.450 4.977 4.527 -0.001 0.000 0.344 271 F C -0.586 175.147 175.800 -0.112 0.000 1.145 271 F CA -0.525 57.403 58.000 -0.121 0.000 0.996 271 F CB 1.472 40.434 39.000 -0.064 0.000 1.248 271 F HN 0.248 nan 8.300 nan 0.000 0.447 272 I N 4.274 124.852 120.570 0.014 0.000 2.352 272 I HA 0.392 4.561 4.170 -0.001 0.000 0.290 272 I C -0.252 175.917 176.117 0.085 0.000 1.036 272 I CA -0.673 60.629 61.300 0.003 0.000 1.336 272 I CB 0.936 38.919 38.000 -0.029 0.000 1.407 272 I HN 0.237 nan 8.210 nan 0.000 0.497 273 V N 7.231 127.196 119.914 0.085 0.000 2.577 273 V HA 0.480 4.600 4.120 -0.001 0.000 0.303 273 V C -0.262 175.888 176.094 0.093 0.000 1.042 273 V CA -0.690 61.677 62.300 0.112 0.000 0.872 273 V CB 1.842 33.743 31.823 0.131 0.000 0.998 273 V HN 0.720 nan 8.190 nan 0.000 0.423 274 M N 4.480 124.138 119.600 0.096 0.000 2.167 274 M HA 0.501 4.981 4.480 -0.001 0.000 0.333 274 M C -0.193 176.169 176.300 0.103 0.000 1.030 274 M CA -0.508 54.843 55.300 0.084 0.000 0.963 274 M CB 1.171 33.812 32.600 0.070 0.000 1.589 274 M HN 0.736 nan 8.290 nan 0.000 0.431 275 N N 2.734 121.498 118.700 0.108 0.000 2.447 275 N HA 0.000 4.740 4.740 -0.001 0.000 0.263 275 N C 0.190 175.770 175.510 0.117 0.000 1.226 275 N CA 0.661 53.786 53.050 0.124 0.000 0.906 275 N CB 0.860 39.431 38.487 0.139 0.000 1.060 275 N HN 0.772 nan 8.380 nan 0.000 0.468 276 T N 0.823 115.457 114.554 0.133 0.000 3.215 276 T HA 0.420 4.769 4.350 -0.001 0.000 0.271 276 T C 0.907 175.690 174.700 0.139 0.000 1.012 276 T CA 0.201 62.372 62.100 0.119 0.000 0.899 276 T CB -0.473 68.457 68.868 0.103 0.000 1.089 276 T HN 0.683 nan 8.240 nan 0.000 0.552 277 G N 2.113 111.030 108.800 0.194 0.000 2.562 277 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.250 277 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.250 277 G C 0.214 175.228 174.900 0.190 0.000 1.269 277 G CA 0.037 45.285 45.100 0.246 0.000 0.919 277 G HN 0.406 nan 8.290 nan 0.000 0.574 278 E N 1.036 121.276 120.200 0.066 0.000 2.489 278 E HA 0.131 4.481 4.350 -0.001 0.000 0.193 278 E C 0.141 176.793 176.600 0.085 0.000 1.057 278 E CA 0.397 56.759 56.400 -0.064 0.000 0.866 278 E CB 0.162 29.764 29.700 -0.163 0.000 0.916 278 E HN 0.367 nan 8.360 nan 0.000 0.500 279 E N 0.973 121.212 120.200 0.065 0.000 2.288 279 E HA 0.299 4.648 4.350 -0.001 0.000 0.268 279 E C -2.523 173.952 176.600 -0.207 0.000 0.885 279 E CA -2.509 53.824 56.400 -0.112 0.000 0.767 279 E CB 1.710 31.354 29.700 -0.093 0.000 1.220 279 E HN -0.075 nan 8.360 nan 0.000 0.427 280 P HA 0.191 nan 4.420 nan 0.000 0.282 280 P C -0.755 176.442 177.300 -0.171 0.000 1.249 280 P CA -0.406 62.422 63.100 -0.453 0.000 0.806 280 P CB 1.206 32.448 31.700 -0.763 0.000 0.984 281 Q N 1.042 120.808 119.800 -0.057 0.000 2.266 281 Q HA 0.427 4.767 4.340 -0.001 0.000 0.261 281 Q C -0.190 175.823 176.000 0.020 0.000 0.985 281 Q CA -1.145 54.651 55.803 -0.012 0.000 0.873 281 Q CB 1.808 30.559 28.738 0.021 0.000 1.306 281 Q HN 0.441 nan 8.270 nan 0.000 0.447 282 L N 2.865 124.106 121.223 0.030 0.000 2.562 282 L HA -0.093 4.246 4.340 -0.001 0.000 0.271 282 L C 1.582 178.514 176.870 0.104 0.000 1.167 282 L CA 0.170 55.053 54.840 0.072 0.000 0.917 282 L CB 0.154 42.246 42.059 0.054 0.000 1.187 282 L HN 0.990 nan 8.230 nan 0.000 0.482 283 S N 3.604 119.413 115.700 0.183 0.000 1.931 283 S HA -0.402 4.067 4.470 -0.001 0.000 0.521 283 S C 0.496 175.138 174.600 0.070 0.000 0.931 283 S CA 1.437 59.756 58.200 0.199 0.000 3.252 283 S CB -1.077 62.332 63.200 0.349 0.000 2.277 283 S HN 1.025 nan 8.310 nan 0.000 0.559 284 D N 0.164 120.562 120.400 -0.002 0.000 4.111 284 D HA -0.236 4.404 4.640 -0.001 0.000 0.290 284 D C -0.235 175.947 176.300 -0.197 0.000 2.255 284 D CA 1.151 55.102 54.000 -0.082 0.000 1.109 284 D CB -1.345 39.448 40.800 -0.013 0.000 1.034 284 D HN 0.854 nan 8.370 nan 0.000 1.222 285 N N 0.688 119.313 118.700 -0.125 0.000 3.091 285 N HA 0.234 4.973 4.740 -0.001 0.000 0.301 285 N C -0.826 174.739 175.510 0.092 0.000 1.325 285 N CA 0.343 53.329 53.050 -0.107 0.000 1.143 285 N CB 0.059 38.530 38.487 -0.026 0.000 1.450 285 N HN 0.423 nan 8.380 nan 0.000 0.542 286 D N -0.937 119.537 120.400 0.123 0.000 2.315 286 D HA 0.278 4.917 4.640 -0.001 0.000 0.272 286 D C -0.416 176.143 176.300 0.431 0.000 1.238 286 D CA 0.205 54.387 54.000 0.304 0.000 1.160 286 D CB 0.583 41.463 40.800 0.134 0.000 1.780 286 D HN 0.144 nan 8.370 nan 0.000 0.484 287 L N 1.222 122.602 121.223 0.262 0.000 2.303 287 L HA 0.554 4.894 4.340 -0.001 0.000 0.266 287 L C -0.640 176.373 176.870 0.238 0.000 1.011 287 L CA -0.995 54.022 54.840 0.294 0.000 0.818 287 L CB 2.102 44.274 42.059 0.188 0.000 1.326 287 L HN -0.173 nan 8.230 nan 0.000 0.435 288 L N 0.456 121.847 121.223 0.280 0.000 2.307 288 L HA 0.409 4.749 4.340 -0.001 0.000 0.282 288 L C -0.134 176.835 176.870 0.165 0.000 1.051 288 L CA -0.418 54.543 54.840 0.201 0.000 0.804 288 L CB 1.572 43.798 42.059 0.278 0.000 1.197 288 L HN 0.543 nan 8.230 nan 0.000 0.431 289 T N 1.210 115.836 114.554 0.120 0.000 2.780 289 T HA 0.391 4.740 4.350 -0.001 0.000 0.294 289 T C 0.074 174.810 174.700 0.061 0.000 0.949 289 T CA -0.127 62.020 62.100 0.080 0.000 1.074 289 T CB 1.368 70.251 68.868 0.024 0.000 0.910 289 T HN 0.675 nan 8.240 nan 0.000 0.501 290 T N 2.154 116.771 114.554 0.106 0.000 2.696 290 T HA 0.666 5.016 4.350 -0.001 0.000 0.291 290 T C -1.194 173.561 174.700 0.092 0.000 1.095 290 T CA -0.726 61.425 62.100 0.086 0.000 1.026 290 T CB 0.849 69.774 68.868 0.095 0.000 1.390 290 T HN 0.451 nan 8.240 nan 0.000 0.513 291 I N 2.114 122.689 120.570 0.008 0.000 2.336 291 I HA 0.373 4.543 4.170 -0.001 0.000 0.292 291 I C 1.571 177.661 176.117 -0.045 0.000 0.991 291 I CA -0.572 60.648 61.300 -0.133 0.000 1.227 291 I CB 1.676 39.556 38.000 -0.202 0.000 1.366 291 I HN 0.892 nan 8.210 nan 0.000 0.466 292 G N 6.344 115.095 108.800 -0.081 0.000 2.464 292 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.214 292 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.214 292 G C -0.119 174.900 174.900 0.200 0.000 1.218 292 G CA 1.052 46.183 45.100 0.052 0.000 0.794 292 G HN 0.699 nan 8.290 nan 0.000 0.542 293 Y N -3.913 116.459 120.300 0.121 0.000 2.717 293 Y HA 0.552 5.102 4.550 -0.001 0.000 0.345 293 Y C -0.469 175.542 175.900 0.185 0.000 1.187 293 Y CA -1.439 56.745 58.100 0.140 0.000 1.128 293 Y CB 0.496 39.042 38.460 0.142 0.000 1.360 293 Y HN 0.343 nan 8.280 nan 0.000 0.467 294 G N 1.751 110.805 108.800 0.424 0.000 2.557 294 G HA2 0.696 4.655 3.960 -0.001 0.000 0.310 294 G HA3 0.696 4.655 3.960 -0.001 0.000 0.310 294 G C -1.869 173.259 174.900 0.380 0.000 1.328 294 G CA -0.901 44.411 45.100 0.353 0.000 0.945 294 G HN 0.969 nan 8.290 nan 0.000 0.494 295 I N 1.315 122.118 120.570 0.388 0.000 3.004 295 I HA 0.366 4.535 4.170 -0.001 0.000 0.305 295 I C -0.735 175.524 176.117 0.237 0.000 1.312 295 I CA -0.924 60.539 61.300 0.272 0.000 0.992 295 I CB 2.187 40.338 38.000 0.252 0.000 1.282 295 I HN 0.525 nan 8.210 nan 0.000 0.449 296 N N 4.181 122.966 118.700 0.142 0.000 2.735 296 N HA -0.181 4.559 4.740 -0.001 0.000 0.248 296 N C 0.726 176.294 175.510 0.098 0.000 1.083 296 N CA 1.382 54.497 53.050 0.109 0.000 0.703 296 N CB -1.443 37.117 38.487 0.121 0.000 1.005 296 N HN 1.185 nan 8.380 nan 0.000 0.550 297 G N -1.384 107.469 108.800 0.088 0.000 2.180 297 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.263 297 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.263 297 G C 0.097 175.011 174.900 0.024 0.000 0.989 297 G CA 1.356 46.492 45.100 0.060 0.000 0.692 297 G HN 0.596 nan 8.290 nan 0.000 0.526 298 K N -0.815 119.601 120.400 0.027 0.000 2.267 298 K HA 0.702 5.021 4.320 -0.001 0.000 0.246 298 K C -0.428 176.023 176.600 -0.248 0.000 0.954 298 K CA -0.947 55.259 56.287 -0.135 0.000 0.824 298 K CB 2.886 35.291 32.500 -0.157 0.000 1.167 298 K HN 0.010 nan 8.250 nan 0.000 0.431 299 V N 2.911 122.526 119.914 -0.499 0.000 2.448 299 V HA 0.317 4.437 4.120 -0.001 0.000 0.295 299 V C -1.284 174.255 176.094 -0.925 0.000 1.025 299 V CA -0.835 61.093 62.300 -0.620 0.000 0.859 299 V CB 0.702 32.102 31.823 -0.706 0.000 0.988 299 V HN 0.576 nan 8.190 nan 0.000 0.431 300 Y N 4.000 123.980 120.300 -0.533 0.000 2.328 300 Y HA 0.585 5.134 4.550 -0.001 0.000 0.337 300 Y C 0.027 175.600 175.900 -0.546 0.000 1.008 300 Y CA -0.472 57.341 58.100 -0.478 0.000 1.129 300 Y CB 0.947 38.988 38.460 -0.697 0.000 1.185 300 Y HN 0.530 nan 8.280 nan 0.000 0.476 301 Y N 1.290 121.523 120.300 -0.113 0.000 2.344 301 Y HA 0.726 5.275 4.550 -0.001 0.000 0.330 301 Y C 0.332 176.224 175.900 -0.013 0.000 1.330 301 Y CA -0.618 57.432 58.100 -0.083 0.000 1.479 301 Y CB 0.933 39.337 38.460 -0.094 0.000 1.428 301 Y HN 0.601 nan 8.280 nan 0.000 0.544 302 A N 0.289 123.217 122.820 0.180 0.000 2.612 302 A HA 0.696 5.016 4.320 -0.001 0.000 0.293 302 A C -2.028 175.639 177.584 0.138 0.000 1.075 302 A CA -0.737 51.383 52.037 0.139 0.000 0.680 302 A CB 1.015 20.091 19.000 0.126 0.000 1.279 302 A HN 0.628 nan 8.150 nan 0.000 0.411 303 L N 0.908 122.207 121.223 0.127 0.000 2.334 303 L HA 0.709 5.049 4.340 -0.001 0.000 0.276 303 L C 0.034 176.992 176.870 0.147 0.000 1.014 303 L CA -0.344 54.575 54.840 0.130 0.000 0.815 303 L CB 1.924 44.048 42.059 0.109 0.000 1.268 303 L HN 0.903 nan 8.230 nan 0.000 0.428 304 E N 1.332 121.643 120.200 0.185 0.000 2.272 304 E HA 0.580 4.929 4.350 -0.001 0.000 0.269 304 E C -1.043 175.705 176.600 0.247 0.000 0.877 304 E CA -0.746 55.783 56.400 0.216 0.000 0.755 304 E CB 2.220 32.078 29.700 0.263 0.000 1.192 304 E HN 0.669 nan 8.360 nan 0.000 0.422 305 G N 1.933 110.842 108.800 0.181 0.000 2.422 305 G HA2 0.407 4.367 3.960 -0.001 0.000 0.317 305 G HA3 0.407 4.367 3.960 -0.001 0.000 0.317 305 G C -0.849 174.079 174.900 0.046 0.000 1.210 305 G CA -0.501 44.678 45.100 0.132 0.000 0.930 305 G HN 0.351 nan 8.290 nan 0.000 0.468 306 S N 1.423 117.127 115.700 0.007 0.000 2.457 306 S HA 0.487 4.957 4.470 -0.001 0.000 0.289 306 S C -0.113 173.969 174.600 -0.862 0.000 1.163 306 S CA -0.344 57.696 58.200 -0.265 0.000 1.078 306 S CB 1.138 64.363 63.200 0.042 0.000 0.987 306 S HN 0.496 nan 8.310 nan 0.000 0.482 307 I N 3.816 123.793 120.570 -0.988 0.000 2.502 307 I HA 0.251 4.421 4.170 -0.001 0.000 0.276 307 I C -0.076 175.648 176.117 -0.656 0.000 1.057 307 I CA -0.413 60.424 61.300 -0.773 0.000 1.163 307 I CB 0.572 38.289 38.000 -0.471 0.000 1.288 307 I HN 0.542 nan 8.210 nan 0.000 0.479 308 F N 3.986 123.821 119.950 -0.191 0.000 2.134 308 F HA -0.071 4.455 4.527 -0.001 0.000 0.299 308 F C 1.227 177.133 175.800 0.176 0.000 1.097 308 F CA 0.775 58.847 58.000 0.121 0.000 1.264 308 F CB -0.337 38.729 39.000 0.109 0.000 1.001 308 F HN 0.088 nan 8.300 nan 0.000 0.479 309 V N -0.071 119.955 119.914 0.187 0.000 2.334 309 V HA 0.716 4.835 4.120 -0.001 0.000 0.281 309 V C 0.197 176.307 176.094 0.026 0.000 1.016 309 V CA -0.019 62.351 62.300 0.117 0.000 0.832 309 V CB 0.509 32.296 31.823 -0.060 0.000 0.999 309 V HN 0.267 nan 8.190 nan 0.000 0.439 310 A N 4.333 127.205 122.820 0.087 0.000 2.218 310 A HA 0.613 4.932 4.320 -0.001 0.000 0.198 310 A C 1.873 179.532 177.584 0.124 0.000 1.857 310 A CA 0.646 52.721 52.037 0.064 0.000 1.620 310 A CB -0.689 18.326 19.000 0.025 0.000 1.424 310 A HN 0.779 nan 8.150 nan 0.000 0.562 311 G N 0.612 109.506 108.800 0.157 0.000 2.501 311 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.220 311 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.220 311 G C 1.623 176.640 174.900 0.195 0.000 1.114 311 G CA 2.046 47.246 45.100 0.166 0.000 0.757 311 G HN 1.137 nan 8.290 nan 0.000 0.559 312 S N 0.475 116.313 115.700 0.229 0.000 2.481 312 S HA 0.290 4.760 4.470 -0.001 0.000 0.231 312 S C 2.465 177.267 174.600 0.337 0.000 0.996 312 S CA 1.116 59.471 58.200 0.258 0.000 0.942 312 S CB -0.103 63.256 63.200 0.264 0.000 0.768 312 S HN 0.505 nan 8.310 nan 0.000 0.520 313 A N 2.486 125.493 122.820 0.312 0.000 1.902 313 A HA 0.065 4.385 4.320 -0.001 0.000 0.217 313 A C 2.139 179.990 177.584 0.444 0.000 1.181 313 A CA 1.378 53.667 52.037 0.420 0.000 0.623 313 A CB -0.628 18.484 19.000 0.187 0.000 0.818 313 A HN 0.517 nan 8.150 nan 0.000 0.443 314 I N 0.090 120.823 120.570 0.272 0.000 2.226 314 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 314 I C 2.598 178.823 176.117 0.179 0.000 1.100 314 I CA 1.884 63.303 61.300 0.199 0.000 1.374 314 I CB -1.598 36.479 38.000 0.129 0.000 1.057 314 I HN 0.583 nan 8.210 nan 0.000 0.413 315 Q N -0.252 119.664 119.800 0.193 0.000 2.135 315 Q HA -0.272 4.068 4.340 -0.001 0.000 0.204 315 Q C 2.364 178.466 176.000 0.170 0.000 0.981 315 Q CA 2.032 57.927 55.803 0.153 0.000 0.856 315 Q CB -0.340 28.494 28.738 0.159 0.000 0.902 315 Q HN 0.547 nan 8.270 nan 0.000 0.425 316 W N 1.011 122.360 121.300 0.080 0.000 2.355 316 W HA -0.199 4.461 4.660 -0.000 0.000 0.309 316 W C 1.563 178.107 176.519 0.043 0.000 1.206 316 W CA 1.571 58.937 57.345 0.035 0.000 1.284 316 W CB -0.390 29.113 29.460 0.071 0.000 1.145 316 W HN 0.142 nan 8.180 nan 0.000 0.502 317 L N 0.404 121.630 121.223 0.004 0.000 2.043 317 L HA -0.279 4.061 4.340 -0.001 0.000 0.212 317 L C 2.829 179.554 176.870 -0.241 0.000 1.075 317 L CA 2.078 56.773 54.840 -0.240 0.000 0.752 317 L CB -1.069 40.994 42.059 0.006 0.000 0.891 317 L HN 0.071 nan 8.230 nan 0.000 0.432 318 R N -0.072 120.365 120.500 -0.105 0.000 2.062 318 R HA -0.146 4.194 4.340 -0.001 0.000 0.229 318 R C 1.696 177.922 176.300 -0.123 0.000 1.128 318 R CA 1.918 57.964 56.100 -0.090 0.000 0.960 318 R CB 0.021 30.304 30.300 -0.028 0.000 0.855 318 R HN 0.303 nan 8.270 nan 0.000 0.432 319 D N -1.277 119.053 120.400 -0.116 0.000 2.262 319 D HA 0.053 4.693 4.640 -0.001 0.000 0.212 319 D C 1.522 177.720 176.300 -0.170 0.000 0.964 319 D CA 1.214 55.150 54.000 -0.107 0.000 0.875 319 D CB -0.129 40.640 40.800 -0.051 0.000 0.996 319 D HN 0.417 nan 8.370 nan 0.000 0.497 320 G N 0.641 109.267 108.800 -0.291 0.000 2.518 320 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.213 320 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.213 320 G C 1.561 176.191 174.900 -0.450 0.000 1.226 320 G CA -0.023 44.864 45.100 -0.354 0.000 0.822 320 G HN 0.166 nan 8.290 nan 0.000 0.546 321 L N -0.293 120.469 121.223 -0.769 0.000 2.313 321 L HA 0.140 4.479 4.340 -0.001 0.000 0.214 321 L C 1.129 177.777 176.870 -0.370 0.000 1.119 321 L CA 0.404 54.895 54.840 -0.581 0.000 0.809 321 L CB -0.209 41.378 42.059 -0.785 0.000 0.933 321 L HN 0.295 nan 8.230 nan 0.000 0.449 322 R N -1.011 119.296 120.500 -0.321 0.000 3.525 322 R HA -0.249 4.090 4.340 -0.001 0.000 0.276 322 R C 1.167 177.348 176.300 -0.199 0.000 1.116 322 R CA 0.856 56.831 56.100 -0.208 0.000 0.745 322 R CB -2.240 27.967 30.300 -0.155 0.000 1.185 322 R HN 0.430 nan 8.270 nan 0.000 0.454 323 M N 0.788 120.243 119.600 -0.242 0.000 2.447 323 M HA 0.118 4.597 4.480 -0.001 0.000 0.264 323 M C 0.756 176.977 176.300 -0.131 0.000 1.095 323 M CA 1.145 56.319 55.300 -0.211 0.000 1.125 323 M CB 0.526 32.957 32.600 -0.282 0.000 1.389 323 M HN 0.389 nan 8.290 nan 0.000 0.459 324 I N -3.218 117.285 120.570 -0.112 0.000 2.865 324 I HA 0.373 4.543 4.170 -0.001 0.000 0.302 324 I C -0.142 175.939 176.117 -0.060 0.000 1.140 324 I CA -0.772 60.487 61.300 -0.067 0.000 1.021 324 I CB 1.926 39.903 38.000 -0.038 0.000 1.233 324 I HN 0.016 nan 8.210 nan 0.000 0.427 325 E N 1.756 121.931 120.200 -0.043 0.000 2.190 325 E HA 0.049 4.399 4.350 -0.001 0.000 0.191 325 E C 0.226 176.809 176.600 -0.027 0.000 0.978 325 E CA 1.216 57.593 56.400 -0.038 0.000 0.839 325 E CB 0.373 30.055 29.700 -0.031 0.000 0.787 325 E HN 0.874 nan 8.360 nan 0.000 0.473 326 T N -3.977 110.565 114.554 -0.019 0.000 2.816 326 T HA 0.284 4.634 4.350 -0.001 0.000 0.299 326 T C 0.623 175.323 174.700 0.001 0.000 1.230 326 T CA -0.695 61.400 62.100 -0.007 0.000 1.007 326 T CB 1.609 70.474 68.868 -0.004 0.000 1.289 326 T HN -0.251 nan 8.240 nan 0.000 0.508 327 S N 0.905 116.613 115.700 0.013 0.000 2.387 327 S HA 0.083 4.553 4.470 -0.001 0.000 0.226 327 S C -1.013 173.599 174.600 0.020 0.000 1.026 327 S CA 1.196 59.412 58.200 0.026 0.000 0.972 327 S CB -1.333 61.892 63.200 0.042 0.000 0.814 327 S HN 0.682 nan 8.310 nan 0.000 0.477 328 P HA -0.118 nan 4.420 nan 0.000 0.219 328 P C 1.311 178.612 177.300 0.002 0.000 1.146 328 P CA 0.928 64.034 63.100 0.009 0.000 0.808 328 P CB -0.028 31.677 31.700 0.008 0.000 0.779 329 Q N 0.174 119.974 119.800 -0.000 0.000 2.234 329 Q HA -0.167 4.172 4.340 -0.001 0.000 0.206 329 Q C 2.088 178.085 176.000 -0.005 0.000 0.980 329 Q CA 1.847 57.647 55.803 -0.006 0.000 0.869 329 Q CB -0.348 28.383 28.738 -0.011 0.000 0.912 329 Q HN 0.318 nan 8.270 nan 0.000 0.436 330 S N 0.003 115.704 115.700 0.001 0.000 2.374 330 S HA -0.270 4.200 4.470 -0.001 0.000 0.227 330 S C 1.768 176.360 174.600 -0.014 0.000 1.037 330 S CA 1.516 59.717 58.200 0.003 0.000 1.024 330 S CB -0.422 62.789 63.200 0.018 0.000 0.861 330 S HN 0.529 nan 8.310 nan 0.000 0.456 331 E N 1.142 121.331 120.200 -0.018 0.000 2.106 331 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 331 E C 2.205 178.788 176.600 -0.028 0.000 0.984 331 E CA 1.139 57.520 56.400 -0.031 0.000 0.806 331 E CB -0.189 29.493 29.700 -0.029 0.000 0.750 331 E HN 0.807 nan 8.360 nan 0.000 0.458 332 E N 0.263 120.452 120.200 -0.018 0.000 2.028 332 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 332 E C 2.295 178.885 176.600 -0.018 0.000 0.988 332 E CA 0.848 57.238 56.400 -0.016 0.000 0.799 332 E CB -0.020 29.673 29.700 -0.012 0.000 0.755 332 E HN 0.272 nan 8.360 nan 0.000 0.447 333 L N 0.535 121.749 121.223 -0.016 0.000 1.989 333 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 333 L C 2.718 179.576 176.870 -0.019 0.000 1.071 333 L CA 1.369 56.202 54.840 -0.013 0.000 0.749 333 L CB -0.590 41.466 42.059 -0.005 0.000 0.890 333 L HN 0.220 nan 8.230 nan 0.000 0.431 334 A N -0.090 122.712 122.820 -0.030 0.000 1.933 334 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 334 A C 2.502 180.050 177.584 -0.059 0.000 1.175 334 A CA 1.598 53.603 52.037 -0.053 0.000 0.628 334 A CB -0.704 18.249 19.000 -0.079 0.000 0.814 334 A HN 0.422 nan 8.150 nan 0.000 0.444 335 A N -0.542 122.249 122.820 -0.047 0.000 2.070 335 A HA -0.125 4.195 4.320 -0.001 0.000 0.220 335 A C 1.948 179.515 177.584 -0.028 0.000 1.159 335 A CA 1.771 53.785 52.037 -0.039 0.000 0.656 335 A CB -0.299 18.685 19.000 -0.027 0.000 0.800 335 A HN 0.524 nan 8.150 nan 0.000 0.453 336 K N -0.396 119.989 120.400 -0.024 0.000 2.374 336 K HA 0.361 4.681 4.320 -0.001 0.000 0.196 336 K C 0.436 177.026 176.600 -0.016 0.000 1.023 336 K CA 0.219 56.496 56.287 -0.016 0.000 1.103 336 K CB 0.290 32.782 32.500 -0.013 0.000 0.848 336 K HN 0.405 nan 8.250 nan 0.000 0.528 337 A N 1.433 124.239 122.820 -0.025 0.000 2.520 337 A HA 0.035 4.355 4.320 -0.001 0.000 0.245 337 A C 0.607 178.181 177.584 -0.016 0.000 1.072 337 A CA 0.210 52.234 52.037 -0.022 0.000 0.761 337 A CB 0.341 19.316 19.000 -0.041 0.000 1.004 337 A HN 0.023 nan 8.150 nan 0.000 0.499 338 K N 2.346 122.741 120.400 -0.007 0.000 2.354 338 K HA 0.126 4.445 4.320 -0.001 0.000 0.194 338 K C 1.165 177.766 176.600 0.002 0.000 1.038 338 K CA 0.710 56.995 56.287 -0.002 0.000 1.052 338 K CB -0.246 32.255 32.500 0.002 0.000 0.861 338 K HN 0.765 nan 8.250 nan 0.000 0.535 339 G N 1.414 110.214 108.800 -0.001 0.000 2.614 339 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.239 339 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.239 339 G C 0.109 175.012 174.900 0.005 0.000 1.240 339 G CA -0.352 44.751 45.100 0.004 0.000 0.842 339 G HN 0.028 nan 8.290 nan 0.000 0.584 340 D N 0.114 120.524 120.400 0.016 0.000 2.411 340 D HA -0.105 4.534 4.640 -0.001 0.000 0.226 340 D C 1.191 177.507 176.300 0.025 0.000 0.988 340 D CA 0.595 54.611 54.000 0.027 0.000 0.938 340 D CB -0.032 40.791 40.800 0.038 0.000 0.883 340 D HN 0.432 nan 8.370 nan 0.000 0.525 341 N N 0.234 118.930 118.700 -0.007 0.000 2.754 341 N HA -0.207 4.533 4.740 -0.001 0.000 0.248 341 N C -0.004 175.462 175.510 -0.073 0.000 1.093 341 N CA 0.484 53.508 53.050 -0.044 0.000 0.699 341 N CB -1.038 37.460 38.487 0.018 0.000 1.016 341 N HN 0.436 nan 8.380 nan 0.000 0.552 342 E N -1.097 119.077 120.200 -0.044 0.000 2.498 342 E HA 0.141 4.491 4.350 -0.001 0.000 0.203 342 E C -0.091 176.511 176.600 0.004 0.000 1.013 342 E CA -0.067 56.350 56.400 0.028 0.000 0.927 342 E CB 0.794 30.555 29.700 0.102 0.000 1.012 342 E HN 0.089 nan 8.360 nan 0.000 0.482 343 V N 1.609 121.450 119.914 -0.122 0.000 2.546 343 V HA 0.158 4.278 4.120 -0.001 0.000 0.284 343 V C -0.651 175.267 176.094 -0.292 0.000 1.050 343 V CA -0.062 62.189 62.300 -0.081 0.000 0.981 343 V CB 0.214 31.996 31.823 -0.069 0.000 0.990 343 V HN 0.080 nan 8.190 nan 0.000 0.474 344 Y N 2.458 122.825 120.300 0.112 0.000 2.425 344 Y HA 0.645 5.194 4.550 -0.001 0.000 0.344 344 Y C -0.154 175.819 175.900 0.122 0.000 0.969 344 Y CA -0.793 57.414 58.100 0.178 0.000 1.052 344 Y CB 2.319 40.904 38.460 0.209 0.000 1.215 344 Y HN 0.338 nan 8.280 nan 0.000 0.451 345 V N 4.077 124.133 119.914 0.236 0.000 2.495 345 V HA 0.495 4.615 4.120 -0.001 0.000 0.298 345 V C -0.874 175.375 176.094 0.259 0.000 1.031 345 V CA -0.879 61.473 62.300 0.088 0.000 0.871 345 V CB 1.794 33.540 31.823 -0.129 0.000 0.988 345 V HN 0.513 nan 8.190 nan 0.000 0.432 346 V N 7.242 127.233 119.914 0.129 0.000 2.320 346 V HA 0.314 4.433 4.120 -0.001 0.000 0.268 346 V C -1.932 174.114 176.094 -0.081 0.000 1.021 346 V CA -1.073 61.284 62.300 0.096 0.000 0.813 346 V CB 1.808 33.588 31.823 -0.072 0.000 1.054 346 V HN 0.800 nan 8.190 nan 0.000 0.444 347 P HA 0.168 nan 4.420 nan 0.000 0.235 347 P C 0.548 177.351 177.300 -0.828 0.000 1.725 347 P CA -0.049 62.636 63.100 -0.691 0.000 0.894 347 P CB 0.400 31.728 31.700 -0.621 0.000 1.704 348 A N -0.062 122.525 122.820 -0.388 0.000 2.958 348 A HA 0.123 4.443 4.320 -0.001 0.000 0.247 348 A C 0.942 178.470 177.584 -0.094 0.000 1.679 348 A CA -0.374 51.549 52.037 -0.191 0.000 1.345 348 A CB -1.567 17.381 19.000 -0.086 0.000 1.013 348 A HN 0.028 nan 8.150 nan 0.000 0.641 349 F N 0.553 120.459 119.950 -0.073 0.000 2.115 349 F HA -0.203 4.323 4.527 -0.001 0.000 0.300 349 F C 2.631 178.393 175.800 -0.062 0.000 1.092 349 F CA 2.058 59.987 58.000 -0.119 0.000 1.245 349 F CB -1.206 37.677 39.000 -0.195 0.000 0.995 349 F HN 0.495 nan 8.300 nan 0.000 0.481 350 T N -2.391 112.246 114.554 0.137 0.000 3.163 350 T HA 0.581 4.931 4.350 -0.001 0.000 0.252 350 T C 0.701 175.410 174.700 0.015 0.000 1.056 350 T CA 0.244 62.365 62.100 0.034 0.000 0.947 350 T CB -0.371 68.460 68.868 -0.062 0.000 1.016 350 T HN 0.588 nan 8.240 nan 0.000 0.554 351 G N 0.784 109.628 108.800 0.073 0.000 2.515 351 G HA2 0.094 4.053 3.960 -0.001 0.000 0.686 351 G HA3 0.094 4.053 3.960 -0.001 0.000 0.686 351 G C -1.265 173.725 174.900 0.151 0.000 1.274 351 G CA -1.077 44.082 45.100 0.098 0.000 0.874 351 G HN 0.458 nan 8.290 nan 0.000 0.631 352 L N 1.349 122.633 121.223 0.102 0.000 2.312 352 L HA 0.643 4.982 4.340 -0.001 0.000 0.281 352 L C 1.560 178.411 176.870 -0.032 0.000 1.070 352 L CA 0.102 54.959 54.840 0.029 0.000 0.805 352 L CB 1.329 43.345 42.059 -0.071 0.000 1.174 352 L HN 0.993 nan 8.230 nan 0.000 0.434 353 G N 1.575 110.161 108.800 -0.358 0.000 2.666 353 G HA2 0.537 4.497 3.960 -0.001 0.000 0.207 353 G HA3 0.537 4.497 3.960 -0.001 0.000 0.207 353 G C -0.221 174.051 174.900 -1.045 0.000 1.481 353 G CA -0.149 44.284 45.100 -1.112 0.000 1.071 353 G HN 0.751 nan 8.290 nan 0.000 0.572 354 A N 0.448 122.587 122.820 -1.134 0.000 2.483 354 A HA 0.453 4.773 4.320 -0.001 0.000 0.238 354 A C -1.259 176.110 177.584 -0.357 0.000 1.070 354 A CA -0.486 51.188 52.037 -0.604 0.000 0.770 354 A CB 0.264 19.231 19.000 -0.054 0.000 1.008 354 A HN 0.411 nan 8.150 nan 0.000 0.497 355 P HA 0.105 nan 4.420 nan 0.000 0.254 355 P C -0.249 176.909 177.300 -0.237 0.000 1.494 355 P CA 0.498 63.446 63.100 -0.254 0.000 0.961 355 P CB -0.069 31.497 31.700 -0.225 0.000 1.493 356 Y N -1.940 118.315 120.300 -0.075 0.000 2.343 356 Y HA 0.147 4.696 4.550 -0.001 0.000 0.294 356 Y C 0.803 176.783 175.900 0.132 0.000 1.122 356 Y CA -0.001 58.105 58.100 0.010 0.000 1.173 356 Y CB -1.067 37.359 38.460 -0.057 0.000 1.077 356 Y HN -0.129 nan 8.280 nan 0.000 0.542 357 W N 2.112 123.562 121.300 0.250 0.000 6.880 357 W HA -0.236 4.424 4.660 -0.001 0.000 0.423 357 W C -0.505 176.138 176.519 0.207 0.000 1.695 357 W CA 0.567 58.053 57.345 0.236 0.000 1.126 357 W CB -1.020 28.562 29.460 0.204 0.000 2.925 357 W HN 0.082 nan 8.180 nan 0.000 1.530 358 D N 0.242 120.815 120.400 0.289 0.000 2.464 358 D HA 0.283 4.923 4.640 -0.001 0.000 0.243 358 D C 1.121 177.522 176.300 0.168 0.000 1.104 358 D CA 0.276 54.398 54.000 0.204 0.000 0.883 358 D CB 0.828 41.703 40.800 0.124 0.000 1.050 358 D HN 0.016 nan 8.370 nan 0.000 0.524 359 S N 2.604 118.410 115.700 0.177 0.000 2.515 359 S HA -0.064 4.406 4.470 -0.001 0.000 0.231 359 S C 1.136 175.789 174.600 0.089 0.000 0.987 359 S CA 0.368 58.649 58.200 0.135 0.000 0.936 359 S CB 0.215 63.498 63.200 0.137 0.000 0.766 359 S HN 0.296 nan 8.310 nan 0.000 0.528 360 E N 1.469 121.718 120.200 0.082 0.000 2.452 360 E HA 0.454 4.803 4.350 -0.001 0.000 0.197 360 E C 0.736 177.378 176.600 0.069 0.000 1.022 360 E CA 0.219 56.654 56.400 0.059 0.000 0.890 360 E CB 0.049 29.774 29.700 0.042 0.000 0.918 360 E HN 0.651 nan 8.360 nan 0.000 0.496 361 A N 1.594 124.457 122.820 0.071 0.000 2.407 361 A HA 0.420 4.740 4.320 -0.001 0.000 0.248 361 A C 0.452 178.090 177.584 0.090 0.000 1.082 361 A CA -0.077 52.003 52.037 0.072 0.000 0.785 361 A CB 0.540 19.545 19.000 0.009 0.000 1.020 361 A HN -0.103 nan 8.150 nan 0.000 0.489 362 R N 0.228 120.801 120.500 0.120 0.000 2.922 362 R HA 0.548 4.888 4.340 -0.001 0.000 0.256 362 R C 0.351 176.689 176.300 0.064 0.000 1.138 362 R CA -0.226 55.945 56.100 0.120 0.000 0.995 362 R CB 1.083 31.489 30.300 0.177 0.000 1.226 362 R HN 0.908 nan 8.270 nan 0.000 0.481 363 G N -0.169 108.678 108.800 0.078 0.000 2.442 363 G HA2 0.476 4.436 3.960 -0.001 0.000 0.249 363 G HA3 0.476 4.436 3.960 -0.001 0.000 0.249 363 G C -0.761 174.104 174.900 -0.058 0.000 1.263 363 G CA 0.210 45.298 45.100 -0.020 0.000 0.846 363 G HN 0.586 nan 8.290 nan 0.000 0.555 364 A N 0.566 123.321 122.820 -0.108 0.000 2.609 364 A HA 0.823 5.143 4.320 -0.001 0.000 0.291 364 A C -1.185 176.193 177.584 -0.342 0.000 1.096 364 A CA -0.525 51.356 52.037 -0.259 0.000 0.684 364 A CB 1.819 20.665 19.000 -0.257 0.000 1.282 364 A HN 1.337 nan 8.150 nan 0.000 0.412 365 V N -0.024 119.490 119.914 -0.666 0.000 2.971 365 V HA 0.791 4.910 4.120 -0.001 0.000 0.309 365 V C -1.459 174.093 176.094 -0.903 0.000 1.130 365 V CA -0.416 61.598 62.300 -0.477 0.000 0.964 365 V CB 1.694 33.425 31.823 -0.152 0.000 1.029 365 V HN 0.788 nan 8.190 nan 0.000 0.427 366 F N 0.444 120.414 119.950 0.034 0.000 2.613 366 F HA 0.758 5.285 4.527 -0.001 0.000 0.310 366 F C 0.829 176.683 175.800 0.091 0.000 1.085 366 F CA 0.003 58.031 58.000 0.046 0.000 0.945 366 F CB 2.262 41.279 39.000 0.029 0.000 1.298 366 F HN 0.791 nan 8.300 nan 0.000 0.455 367 G N 1.417 110.377 108.800 0.267 0.000 2.132 367 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.234 367 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.234 367 G C -0.417 174.556 174.900 0.121 0.000 0.989 367 G CA -0.449 44.769 45.100 0.197 0.000 0.676 367 G HN 0.564 nan 8.290 nan 0.000 0.522 368 L N 1.581 122.863 121.223 0.099 0.000 2.416 368 L HA 0.576 4.916 4.340 -0.001 0.000 0.272 368 L C 1.221 178.130 176.870 0.064 0.000 1.161 368 L CA 0.527 55.415 54.840 0.080 0.000 0.845 368 L CB 0.875 42.982 42.059 0.079 0.000 1.119 368 L HN 0.445 nan 8.230 nan 0.000 0.464 369 T N -1.114 113.474 114.554 0.057 0.000 2.864 369 T HA 0.367 4.717 4.350 -0.001 0.000 0.289 369 T C 0.614 175.336 174.700 0.035 0.000 1.082 369 T CA -0.950 61.175 62.100 0.043 0.000 1.009 369 T CB 1.750 70.641 68.868 0.040 0.000 1.234 369 T HN 0.411 nan 8.240 nan 0.000 0.526 370 R N 0.291 120.806 120.500 0.025 0.000 2.193 370 R HA 0.156 4.495 4.340 -0.001 0.000 0.229 370 R C 2.140 178.451 176.300 0.018 0.000 1.110 370 R CA 1.754 57.864 56.100 0.017 0.000 0.988 370 R CB -1.042 29.265 30.300 0.011 0.000 0.871 370 R HN 0.861 nan 8.270 nan 0.000 0.458 371 G N -1.332 107.481 108.800 0.022 0.000 2.985 371 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.209 371 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.209 371 G C -0.023 174.893 174.900 0.027 0.000 1.165 371 G CA 0.014 45.126 45.100 0.020 0.000 0.776 371 G HN 0.236 nan 8.290 nan 0.000 0.541 372 T N 1.889 116.466 114.554 0.039 0.000 2.902 372 T HA 0.369 4.719 4.350 -0.001 0.000 0.301 372 T C 0.783 175.515 174.700 0.053 0.000 1.012 372 T CA 0.432 62.566 62.100 0.056 0.000 1.151 372 T CB 0.965 69.886 68.868 0.089 0.000 0.946 372 T HN 0.329 nan 8.240 nan 0.000 0.542 373 T N 0.401 114.987 114.554 0.054 0.000 2.952 373 T HA 0.419 4.769 4.350 -0.001 0.000 0.286 373 T C 1.355 176.095 174.700 0.067 0.000 1.024 373 T CA -1.169 60.955 62.100 0.040 0.000 1.029 373 T CB 1.570 70.451 68.868 0.022 0.000 1.094 373 T HN 0.511 nan 8.240 nan 0.000 0.515 374 K N 0.422 120.837 120.400 0.026 0.000 2.077 374 K HA -0.289 4.031 4.320 -0.001 0.000 0.213 374 K C 1.763 178.408 176.600 0.074 0.000 1.051 374 K CA 2.303 58.607 56.287 0.028 0.000 0.929 374 K CB -0.238 32.248 32.500 -0.024 0.000 0.715 374 K HN 0.694 nan 8.250 nan 0.000 0.451 375 E N 0.946 121.170 120.200 0.040 0.000 2.051 375 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 375 E C 1.815 178.436 176.600 0.035 0.000 0.991 375 E CA 1.659 58.076 56.400 0.028 0.000 0.799 375 E CB -0.262 29.441 29.700 0.005 0.000 0.748 375 E HN 0.381 nan 8.360 nan 0.000 0.449 376 D N -0.251 120.174 120.400 0.042 0.000 2.123 376 D HA -0.175 4.465 4.640 -0.001 0.000 0.196 376 D C 1.791 178.111 176.300 0.034 0.000 0.992 376 D CA 0.797 54.810 54.000 0.021 0.000 0.833 376 D CB -0.419 40.399 40.800 0.031 0.000 0.954 376 D HN 0.126 nan 8.370 nan 0.000 0.455 377 F N 1.368 121.305 119.950 -0.021 0.000 2.075 377 F HA -0.237 4.290 4.527 -0.001 0.000 0.297 377 F C 2.363 178.167 175.800 0.007 0.000 1.113 377 F CA 1.135 59.136 58.000 0.002 0.000 1.218 377 F CB -0.219 38.781 39.000 0.000 0.000 0.984 377 F HN -0.219 nan 8.300 nan 0.000 0.472 378 V N 1.013 121.071 119.914 0.240 0.000 2.332 378 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 378 V C 2.506 178.601 176.094 0.001 0.000 1.055 378 V CA 2.356 64.735 62.300 0.131 0.000 1.038 378 V CB -0.871 31.005 31.823 0.087 0.000 0.651 378 V HN 0.356 nan 8.190 nan 0.000 0.450 379 R N 0.484 120.954 120.500 -0.050 0.000 2.075 379 R HA -0.137 4.203 4.340 -0.001 0.000 0.232 379 R C 2.298 178.488 176.300 -0.184 0.000 1.126 379 R CA 1.675 57.696 56.100 -0.133 0.000 0.963 379 R CB -0.506 29.708 30.300 -0.143 0.000 0.858 379 R HN 0.443 nan 8.270 nan 0.000 0.435 380 A N 0.234 122.950 122.820 -0.172 0.000 1.940 380 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 380 A C 2.183 179.697 177.584 -0.116 0.000 1.176 380 A CA 2.074 54.005 52.037 -0.177 0.000 0.631 380 A CB -0.952 17.912 19.000 -0.228 0.000 0.814 380 A HN 0.500 nan 8.150 nan 0.000 0.446 381 T N 0.509 114.990 114.554 -0.122 0.000 2.708 381 T HA -0.089 4.260 4.350 -0.001 0.000 0.266 381 T C 1.813 176.503 174.700 -0.017 0.000 1.037 381 T CA 1.501 63.582 62.100 -0.032 0.000 1.146 381 T CB -0.409 68.497 68.868 0.064 0.000 0.865 381 T HN 0.394 nan 8.240 nan 0.000 0.435 382 L N 0.791 121.977 121.223 -0.062 0.000 2.012 382 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 382 L C 2.849 179.622 176.870 -0.162 0.000 1.073 382 L CA 1.467 56.248 54.840 -0.098 0.000 0.748 382 L CB -0.644 41.333 42.059 -0.137 0.000 0.891 382 L HN 0.299 nan 8.230 nan 0.000 0.431 383 Q N -0.305 119.337 119.800 -0.264 0.000 2.291 383 Q HA -0.114 4.226 4.340 -0.001 0.000 0.205 383 Q C 2.411 178.278 176.000 -0.222 0.000 0.970 383 Q CA 0.978 56.530 55.803 -0.419 0.000 0.876 383 Q CB -0.196 28.156 28.738 -0.642 0.000 0.935 383 Q HN 0.554 nan 8.270 nan 0.000 0.455 384 A N 0.721 123.512 122.820 -0.048 0.000 1.917 384 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 384 A C 2.273 179.726 177.584 -0.219 0.000 1.182 384 A CA 1.605 53.596 52.037 -0.077 0.000 0.633 384 A CB -0.954 18.141 19.000 0.159 0.000 0.819 384 A HN 0.299 nan 8.150 nan 0.000 0.448 385 V N -0.448 119.406 119.914 -0.100 0.000 2.407 385 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 385 V C 2.766 178.827 176.094 -0.055 0.000 1.055 385 V CA 2.382 64.652 62.300 -0.050 0.000 1.049 385 V CB -0.681 31.177 31.823 0.058 0.000 0.662 385 V HN 0.624 nan 8.190 nan 0.000 0.455 386 A N -1.566 121.200 122.820 -0.091 0.000 1.897 386 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 386 A C 2.002 179.457 177.584 -0.215 0.000 1.181 386 A CA 1.676 53.664 52.037 -0.081 0.000 0.620 386 A CB -0.765 18.234 19.000 -0.001 0.000 0.821 386 A HN 0.617 nan 8.150 nan 0.000 0.443 387 Y N -0.143 119.949 120.300 -0.346 0.000 2.145 387 Y HA -0.226 4.324 4.550 -0.001 0.000 0.286 387 Y C 2.688 178.272 175.900 -0.527 0.000 1.145 387 Y CA 1.742 59.455 58.100 -0.644 0.000 1.148 387 Y CB -0.712 36.709 38.460 -1.731 0.000 0.981 387 Y HN 0.438 nan 8.280 nan 0.000 0.507 388 Q N -0.275 119.334 119.800 -0.319 0.000 2.124 388 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 388 Q C 2.284 178.308 176.000 0.040 0.000 0.977 388 Q CA 1.727 57.601 55.803 0.118 0.000 0.850 388 Q CB -0.095 28.776 28.738 0.221 0.000 0.901 388 Q HN 0.416 nan 8.270 nan 0.000 0.429 389 S N 0.766 116.436 115.700 -0.051 0.000 2.374 389 S HA -0.226 4.243 4.470 -0.001 0.000 0.227 389 S C 1.686 176.258 174.600 -0.047 0.000 1.037 389 S CA 1.603 59.766 58.200 -0.061 0.000 1.024 389 S CB -0.255 62.914 63.200 -0.053 0.000 0.861 389 S HN 0.361 nan 8.310 nan 0.000 0.456 390 K N 1.153 121.515 120.400 -0.064 0.000 2.032 390 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 390 K C 1.455 178.041 176.600 -0.023 0.000 1.048 390 K CA 1.843 58.062 56.287 -0.112 0.000 0.927 390 K CB -0.225 32.109 32.500 -0.277 0.000 0.712 390 K HN 0.161 nan 8.250 nan 0.000 0.441 391 D N 0.278 120.768 120.400 0.150 0.000 2.133 391 D HA -0.184 4.456 4.640 -0.001 0.000 0.192 391 D C 1.962 178.288 176.300 0.044 0.000 1.001 391 D CA 1.416 55.538 54.000 0.203 0.000 0.844 391 D CB -0.417 40.551 40.800 0.279 0.000 0.944 391 D HN 0.079 nan 8.370 nan 0.000 0.447 392 V N 0.876 120.797 119.914 0.010 0.000 2.295 392 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 392 V C 2.507 178.598 176.094 -0.005 0.000 1.049 392 V CA 1.155 63.445 62.300 -0.016 0.000 1.024 392 V CB -0.296 31.508 31.823 -0.033 0.000 0.648 392 V HN 0.186 nan 8.190 nan 0.000 0.447 393 I N -0.158 120.400 120.570 -0.019 0.000 2.353 393 I HA -0.164 4.005 4.170 -0.001 0.000 0.248 393 I C 2.185 178.291 176.117 -0.019 0.000 1.119 393 I CA 1.207 62.495 61.300 -0.020 0.000 1.417 393 I CB -0.375 37.602 38.000 -0.038 0.000 1.078 393 I HN 0.306 nan 8.210 nan 0.000 0.421 394 D N 0.561 120.944 120.400 -0.027 0.000 2.097 394 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 394 D C 2.211 178.514 176.300 0.006 0.000 0.989 394 D CA 1.555 55.545 54.000 -0.017 0.000 0.827 394 D CB -0.418 40.372 40.800 -0.017 0.000 0.966 394 D HN 0.210 nan 8.370 nan 0.000 0.456 395 T N 0.647 115.208 114.554 0.011 0.000 2.699 395 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 395 T C 2.092 176.808 174.700 0.026 0.000 1.036 395 T CA 1.066 63.176 62.100 0.017 0.000 1.147 395 T CB -0.173 68.701 68.868 0.011 0.000 0.862 395 T HN 0.166 nan 8.240 nan 0.000 0.446 396 M N 0.333 119.949 119.600 0.026 0.000 2.175 396 M HA -0.048 4.431 4.480 -0.001 0.000 0.264 396 M C 2.321 178.636 176.300 0.026 0.000 1.063 396 M CA 1.443 56.763 55.300 0.034 0.000 1.119 396 M CB -0.268 32.354 32.600 0.035 0.000 1.377 396 M HN 0.152 nan 8.290 nan 0.000 0.415 397 K N 0.746 121.155 120.400 0.015 0.000 2.001 397 K HA -0.214 4.106 4.320 -0.001 0.000 0.214 397 K C 1.858 178.467 176.600 0.015 0.000 1.050 397 K CA 1.864 58.158 56.287 0.011 0.000 0.934 397 K CB -0.225 32.276 32.500 0.001 0.000 0.718 397 K HN 0.328 nan 8.250 nan 0.000 0.443 398 K N 0.788 121.198 120.400 0.017 0.000 2.009 398 K HA -0.166 4.154 4.320 -0.001 0.000 0.210 398 K C 1.796 178.409 176.600 0.022 0.000 1.049 398 K CA 1.866 58.165 56.287 0.019 0.000 0.929 398 K CB -0.206 32.306 32.500 0.021 0.000 0.714 398 K HN 0.096 nan 8.250 nan 0.000 0.440 399 D N 0.176 120.593 120.400 0.028 0.000 2.264 399 D HA -0.043 4.597 4.640 -0.001 0.000 0.208 399 D C 1.615 177.934 176.300 0.032 0.000 0.966 399 D CA 0.901 54.921 54.000 0.033 0.000 0.864 399 D CB 0.074 40.901 40.800 0.046 0.000 0.933 399 D HN 0.046 nan 8.370 nan 0.000 0.499 400 S N -1.426 114.292 115.700 0.030 0.000 2.483 400 S HA 0.220 4.690 4.470 -0.001 0.000 0.221 400 S C 1.746 176.359 174.600 0.022 0.000 1.030 400 S CA 0.643 58.861 58.200 0.029 0.000 0.925 400 S CB 0.568 63.787 63.200 0.032 0.000 0.795 400 S HN 0.384 nan 8.310 nan 0.000 0.511 401 G N 1.487 110.299 108.800 0.019 0.000 2.228 401 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.270 401 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.270 401 G C 0.226 175.134 174.900 0.014 0.000 0.976 401 G CA 0.478 45.587 45.100 0.015 0.000 0.636 401 G HN 0.528 nan 8.290 nan 0.000 0.542 402 I N 2.267 122.847 120.570 0.017 0.000 2.329 402 I HA 0.153 4.322 4.170 -0.001 0.000 0.295 402 I C 0.795 176.919 176.117 0.012 0.000 1.109 402 I CA -0.494 60.816 61.300 0.017 0.000 1.297 402 I CB 0.514 38.527 38.000 0.023 0.000 1.433 402 I HN 0.158 nan 8.210 nan 0.000 0.509 403 D N 7.333 127.738 120.400 0.008 0.000 2.548 403 D HA 0.007 4.646 4.640 -0.001 0.000 0.231 403 D C -0.387 175.914 176.300 0.002 0.000 1.142 403 D CA 0.690 54.692 54.000 0.003 0.000 0.866 403 D CB 0.876 41.676 40.800 0.001 0.000 1.190 403 D HN 0.361 nan 8.370 nan 0.000 0.469 404 I N 5.390 125.959 120.570 -0.003 0.000 2.466 404 I HA 0.151 4.320 4.170 -0.001 0.000 0.279 404 I C -1.694 174.419 176.117 -0.008 0.000 1.033 404 I CA -1.522 59.776 61.300 -0.003 0.000 1.123 404 I CB 2.159 40.156 38.000 -0.004 0.000 1.237 404 I HN 0.308 nan 8.210 nan 0.000 0.460 405 P HA 0.219 nan 4.420 nan 0.000 0.275 405 P C -0.296 177.001 177.300 -0.006 0.000 1.310 405 P CA 0.062 63.157 63.100 -0.008 0.000 0.904 405 P CB 1.012 32.708 31.700 -0.007 0.000 1.381 406 L N 0.459 121.680 121.223 -0.004 0.000 2.476 406 L HA 0.505 4.845 4.340 -0.001 0.000 0.269 406 L C -1.613 175.260 176.870 0.005 0.000 0.965 406 L CA -1.107 53.733 54.840 0.001 0.000 0.845 406 L CB 2.172 44.228 42.059 -0.005 0.000 1.259 406 L HN -0.260 nan 8.230 nan 0.000 0.403 407 L N 4.949 126.182 121.223 0.016 0.000 2.280 407 L HA 0.547 4.887 4.340 -0.001 0.000 0.287 407 L C -0.535 176.361 176.870 0.043 0.000 1.023 407 L CA -0.026 54.830 54.840 0.026 0.000 0.819 407 L CB 0.830 42.906 42.059 0.029 0.000 1.212 407 L HN 0.562 nan 8.230 nan 0.000 0.420 408 K N 4.315 124.735 120.400 0.033 0.000 2.144 408 K HA 0.661 4.981 4.320 -0.001 0.000 0.270 408 K C -0.867 175.780 176.600 0.079 0.000 1.005 408 K CA -0.603 55.709 56.287 0.042 0.000 0.932 408 K CB 1.808 34.312 32.500 0.006 0.000 1.021 408 K HN 0.550 nan 8.250 nan 0.000 0.462 409 V N -1.061 118.919 119.914 0.110 0.000 2.925 409 V HA 0.657 4.776 4.120 -0.001 0.000 0.311 409 V C -1.373 174.815 176.094 0.158 0.000 1.104 409 V CA -0.818 61.588 62.300 0.177 0.000 0.954 409 V CB 1.923 33.918 31.823 0.287 0.000 1.022 409 V HN 1.020 nan 8.190 nan 0.000 0.427 410 D N 0.769 121.285 120.400 0.194 0.000 2.768 410 D HA 0.840 5.480 4.640 -0.001 0.000 0.327 410 D C -0.020 176.402 176.300 0.204 0.000 1.302 410 D CA -0.079 54.015 54.000 0.158 0.000 0.897 410 D CB 1.283 42.146 40.800 0.104 0.000 1.420 410 D HN 2.100 nan 8.370 nan 0.000 0.494 411 G N -2.219 106.677 108.800 0.159 0.000 2.629 411 G HA2 0.360 4.320 3.960 -0.001 0.000 0.686 411 G HA3 0.360 4.320 3.960 -0.001 0.000 0.686 411 G C 0.718 175.709 174.900 0.152 0.000 1.232 411 G CA 0.008 45.210 45.100 0.169 0.000 0.803 411 G HN 1.213 nan 8.290 nan 0.000 0.638 412 G N 0.093 108.975 108.800 0.137 0.000 2.442 412 G HA2 0.243 4.203 3.960 -0.001 0.000 0.219 412 G HA3 0.243 4.203 3.960 -0.001 0.000 0.219 412 G C 1.910 176.865 174.900 0.091 0.000 1.141 412 G CA 2.416 47.579 45.100 0.106 0.000 0.763 412 G HN 2.055 nan 8.290 nan 0.000 0.554 413 A N 0.402 123.292 122.820 0.117 0.000 2.238 413 A HA 0.609 4.928 4.320 -0.001 0.000 0.208 413 A C 2.394 179.967 177.584 -0.018 0.000 1.177 413 A CA 1.271 53.350 52.037 0.069 0.000 0.804 413 A CB -0.195 18.873 19.000 0.112 0.000 0.823 413 A HN 0.608 nan 8.150 nan 0.000 0.482 414 A N 0.914 123.740 122.820 0.011 0.000 2.206 414 A HA -0.006 4.314 4.320 -0.001 0.000 0.211 414 A C 1.907 179.437 177.584 -0.089 0.000 1.158 414 A CA 1.178 53.144 52.037 -0.117 0.000 0.761 414 A CB -0.459 18.560 19.000 0.032 0.000 0.801 414 A HN 0.672 nan 8.150 nan 0.000 0.473 415 K N 0.194 120.580 120.400 -0.023 0.000 2.360 415 K HA -0.136 4.184 4.320 -0.001 0.000 0.201 415 K C 0.524 177.107 176.600 -0.029 0.000 1.046 415 K CA 1.042 57.330 56.287 0.001 0.000 0.945 415 K CB -0.268 32.246 32.500 0.024 0.000 0.750 415 K HN 0.309 nan 8.250 nan 0.000 0.464 416 N N 2.085 120.730 118.700 -0.091 0.000 2.415 416 N HA -0.024 4.716 4.740 -0.001 0.000 0.250 416 N C -0.465 174.952 175.510 -0.155 0.000 1.127 416 N CA 0.046 53.033 53.050 -0.105 0.000 0.945 416 N CB 0.955 39.367 38.487 -0.126 0.000 1.196 416 N HN 0.096 nan 8.380 nan 0.000 0.499 417 D N 3.594 123.956 120.400 -0.064 0.000 2.104 417 D HA -0.179 4.461 4.640 -0.001 0.000 0.194 417 D C 1.787 178.012 176.300 -0.125 0.000 0.994 417 D CA 1.212 55.194 54.000 -0.030 0.000 0.830 417 D CB 0.130 41.033 40.800 0.172 0.000 0.959 417 D HN 0.547 nan 8.370 nan 0.000 0.452 418 L N -0.004 121.171 121.223 -0.079 0.000 2.083 418 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 418 L C 2.371 179.155 176.870 -0.142 0.000 1.083 418 L CA 0.346 55.138 54.840 -0.080 0.000 0.752 418 L CB -0.329 41.689 42.059 -0.069 0.000 0.899 418 L HN 0.067 nan 8.230 nan 0.000 0.433 419 L N -0.642 120.453 121.223 -0.213 0.000 2.046 419 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 419 L C 2.483 179.167 176.870 -0.310 0.000 1.077 419 L CA 1.817 56.509 54.840 -0.247 0.000 0.747 419 L CB -0.361 41.526 42.059 -0.287 0.000 0.896 419 L HN 0.168 nan 8.230 nan 0.000 0.432 420 M N -1.364 117.921 119.600 -0.525 0.000 2.132 420 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 420 M C 2.316 178.234 176.300 -0.636 0.000 1.065 420 M CA 1.470 56.301 55.300 -0.782 0.000 1.122 420 M CB -1.191 30.612 32.600 -1.328 0.000 1.365 420 M HN 0.353 nan 8.290 nan 0.000 0.411 421 Q N 0.294 119.803 119.800 -0.485 0.000 2.079 421 Q HA -0.139 4.201 4.340 -0.001 0.000 0.200 421 Q C 1.868 177.840 176.000 -0.048 0.000 0.974 421 Q CA 1.607 57.349 55.803 -0.102 0.000 0.840 421 Q CB -0.547 28.234 28.738 0.071 0.000 0.898 421 Q HN 0.399 nan 8.270 nan 0.000 0.430 422 F N 0.621 120.444 119.950 -0.210 0.000 2.171 422 F HA -0.195 4.332 4.527 -0.001 0.000 0.300 422 F C 2.214 177.879 175.800 -0.225 0.000 1.090 422 F CA 1.913 59.790 58.000 -0.204 0.000 1.293 422 F CB -0.377 38.472 39.000 -0.251 0.000 1.013 422 F HN 0.219 nan 8.300 nan 0.000 0.486 423 Q N 0.802 120.508 119.800 -0.158 0.000 2.050 423 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 423 Q C 2.239 178.100 176.000 -0.232 0.000 0.980 423 Q CA 2.283 57.951 55.803 -0.226 0.000 0.840 423 Q CB -0.804 27.832 28.738 -0.171 0.000 0.898 423 Q HN 0.415 nan 8.270 nan 0.000 0.424 424 A N 0.425 123.144 122.820 -0.168 0.000 1.908 424 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 424 A C 1.863 179.362 177.584 -0.141 0.000 1.181 424 A CA 1.872 53.846 52.037 -0.104 0.000 0.627 424 A CB -0.880 18.115 19.000 -0.008 0.000 0.818 424 A HN 0.503 nan 8.150 nan 0.000 0.445 425 D N -0.249 120.039 120.400 -0.187 0.000 2.117 425 D HA -0.115 4.524 4.640 -0.001 0.000 0.197 425 D C 1.731 177.872 176.300 -0.265 0.000 0.987 425 D CA 0.920 54.803 54.000 -0.195 0.000 0.829 425 D CB -0.268 40.406 40.800 -0.210 0.000 0.961 425 D HN 0.283 nan 8.370 nan 0.000 0.460 426 I N 0.501 120.803 120.570 -0.446 0.000 2.394 426 I HA -0.113 4.057 4.170 -0.001 0.000 0.251 426 I C 2.269 178.207 176.117 -0.297 0.000 1.136 426 I CA 0.748 61.785 61.300 -0.440 0.000 1.425 426 I CB -0.638 36.912 38.000 -0.750 0.000 1.079 426 I HN 0.030 nan 8.210 nan 0.000 0.425 427 L N -0.530 120.541 121.223 -0.254 0.000 2.270 427 L HA -0.067 4.272 4.340 -0.001 0.000 0.210 427 L C 0.571 177.358 176.870 -0.138 0.000 1.104 427 L CA 0.521 55.246 54.840 -0.191 0.000 0.804 427 L CB -0.161 41.811 42.059 -0.145 0.000 0.937 427 L HN 0.213 nan 8.230 nan 0.000 0.450 428 D N 0.565 120.892 120.400 -0.122 0.000 2.746 428 D HA -0.208 4.431 4.640 -0.001 0.000 0.236 428 D C -0.494 175.771 176.300 -0.058 0.000 1.129 428 D CA 0.782 54.734 54.000 -0.080 0.000 0.691 428 D CB -0.865 39.894 40.800 -0.068 0.000 1.077 428 D HN 0.387 nan 8.370 nan 0.000 0.432 429 I N -2.932 117.605 120.570 -0.054 0.000 2.827 429 I HA 0.552 4.722 4.170 -0.001 0.000 0.298 429 I C -0.523 175.585 176.117 -0.015 0.000 1.235 429 I CA -0.976 60.304 61.300 -0.032 0.000 1.021 429 I CB 1.798 39.778 38.000 -0.033 0.000 1.259 429 I HN -0.243 nan 8.210 nan 0.000 0.427 430 D N 3.635 124.036 120.400 0.001 0.000 2.472 430 D HA 0.389 5.029 4.640 -0.001 0.000 0.237 430 D C -0.644 175.681 176.300 0.041 0.000 1.141 430 D CA 0.485 54.499 54.000 0.023 0.000 0.875 430 D CB 1.160 41.969 40.800 0.014 0.000 1.192 430 D HN 0.419 nan 8.370 nan 0.000 0.450 431 V N 2.441 122.409 119.914 0.090 0.000 2.443 431 V HA 0.239 4.359 4.120 -0.001 0.000 0.293 431 V C -0.425 175.773 176.094 0.173 0.000 1.021 431 V CA -0.675 61.693 62.300 0.114 0.000 0.848 431 V CB 1.466 33.340 31.823 0.086 0.000 0.998 431 V HN 0.442 nan 8.190 nan 0.000 0.424 432 Q N 4.494 124.365 119.800 0.117 0.000 2.333 432 Q HA 0.532 4.872 4.340 -0.001 0.000 0.265 432 Q C -0.331 175.742 176.000 0.122 0.000 0.989 432 Q CA -0.694 55.174 55.803 0.109 0.000 0.842 432 Q CB 1.430 30.194 28.738 0.043 0.000 1.262 432 Q HN 0.714 nan 8.270 nan 0.000 0.451 433 R N 2.452 123.053 120.500 0.169 0.000 2.297 433 R HA 0.538 4.878 4.340 -0.001 0.000 0.308 433 R C -0.790 175.570 176.300 0.099 0.000 1.029 433 R CA -0.134 56.060 56.100 0.158 0.000 0.929 433 R CB 1.012 31.462 30.300 0.249 0.000 1.046 433 R HN 0.722 nan 8.270 nan 0.000 0.461 434 A N 3.571 126.438 122.820 0.079 0.000 2.511 434 A HA 0.239 4.559 4.320 -0.001 0.000 0.242 434 A C 1.324 178.945 177.584 0.061 0.000 1.069 434 A CA 0.542 52.613 52.037 0.055 0.000 0.763 434 A CB 0.319 19.347 19.000 0.047 0.000 1.001 434 A HN 1.057 nan 8.150 nan 0.000 0.498 435 A N 2.467 125.317 122.820 0.049 0.000 1.903 435 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 435 A C 1.318 178.942 177.584 0.067 0.000 1.191 435 A CA 2.041 54.109 52.037 0.053 0.000 0.638 435 A CB -0.520 18.508 19.000 0.048 0.000 0.823 435 A HN 0.936 nan 8.150 nan 0.000 0.451 436 N N 0.021 118.765 118.700 0.074 0.000 2.457 436 N HA 0.377 5.117 4.740 -0.001 0.000 0.250 436 N C 0.292 175.853 175.510 0.084 0.000 0.982 436 N CA -0.287 52.818 53.050 0.090 0.000 0.941 436 N CB 0.703 39.262 38.487 0.120 0.000 1.120 436 N HN 0.241 nan 8.380 nan 0.000 0.505 437 L N 1.328 122.602 121.223 0.086 0.000 2.275 437 L HA -0.003 4.336 4.340 -0.001 0.000 0.215 437 L C 0.837 177.764 176.870 0.095 0.000 1.119 437 L CA 0.763 55.657 54.840 0.089 0.000 0.790 437 L CB -0.105 42.007 42.059 0.088 0.000 0.919 437 L HN 0.548 nan 8.230 nan 0.000 0.443 438 E N 0.301 120.561 120.200 0.101 0.000 2.261 438 E HA -0.052 4.297 4.350 -0.001 0.000 0.308 438 E C 1.312 177.968 176.600 0.093 0.000 1.400 438 E CA 0.064 56.530 56.400 0.110 0.000 1.542 438 E CB -0.047 29.730 29.700 0.127 0.000 1.369 438 E HN 0.171 nan 8.360 nan 0.000 0.493 439 T N -1.186 113.400 114.554 0.054 0.000 3.085 439 T HA -0.051 4.299 4.350 -0.001 0.000 0.263 439 T C 1.496 176.184 174.700 -0.020 0.000 1.127 439 T CA 1.237 63.331 62.100 -0.011 0.000 1.103 439 T CB -0.034 68.826 68.868 -0.012 0.000 0.921 439 T HN 0.217 nan 8.240 nan 0.000 0.510 440 T N 1.936 116.513 114.554 0.037 0.000 2.643 440 T HA 0.077 4.427 4.350 -0.001 0.000 0.264 440 T C 2.378 177.099 174.700 0.035 0.000 1.045 440 T CA 1.524 63.651 62.100 0.046 0.000 1.155 440 T CB -0.894 68.019 68.868 0.075 0.000 0.863 440 T HN 0.597 nan 8.240 nan 0.000 0.420 441 A N 0.939 123.810 122.820 0.084 0.000 1.933 441 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 441 A C 2.207 179.800 177.584 0.015 0.000 1.175 441 A CA 1.078 53.196 52.037 0.136 0.000 0.628 441 A CB -0.749 18.399 19.000 0.248 0.000 0.814 441 A HN 0.371 nan 8.150 nan 0.000 0.444 442 L N 0.144 121.261 121.223 -0.177 0.000 2.046 442 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 442 L C 2.467 178.824 176.870 -0.856 0.000 1.077 442 L CA 2.065 56.451 54.840 -0.757 0.000 0.747 442 L CB -1.231 40.432 42.059 -0.659 0.000 0.896 442 L HN 0.337 nan 8.230 nan 0.000 0.432 443 G N -1.285 107.262 108.800 -0.422 0.000 2.440 443 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 443 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 443 G C 1.615 176.482 174.900 -0.055 0.000 1.154 443 G CA 0.867 45.898 45.100 -0.115 0.000 0.767 443 G HN 0.595 nan 8.290 nan 0.000 0.552 444 A N 1.167 123.951 122.820 -0.061 0.000 1.898 444 A HA 0.293 4.612 4.320 -0.001 0.000 0.216 444 A C 2.834 180.436 177.584 0.030 0.000 1.181 444 A CA 2.183 54.214 52.037 -0.011 0.000 0.620 444 A CB -0.816 18.207 19.000 0.038 0.000 0.819 444 A HN 0.803 nan 8.150 nan 0.000 0.442 445 A N -1.026 121.795 122.820 0.001 0.000 1.908 445 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 445 A C 2.097 179.885 177.584 0.338 0.000 1.181 445 A CA 1.756 53.866 52.037 0.121 0.000 0.627 445 A CB -0.833 18.120 19.000 -0.078 0.000 0.818 445 A HN 0.557 nan 8.150 nan 0.000 0.445 446 Y N -0.081 120.286 120.300 0.110 0.000 2.181 446 Y HA -0.099 4.450 4.550 -0.001 0.000 0.288 446 Y C 2.242 178.259 175.900 0.195 0.000 1.146 446 Y CA 0.651 58.842 58.100 0.151 0.000 1.164 446 Y CB -1.051 37.514 38.460 0.174 0.000 0.982 446 Y HN 0.201 nan 8.280 nan 0.000 0.515 447 L N -0.767 120.548 121.223 0.153 0.000 1.994 447 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 447 L C 2.708 179.611 176.870 0.055 0.000 1.071 447 L CA 1.297 56.080 54.840 -0.096 0.000 0.745 447 L CB -0.956 40.923 42.059 -0.300 0.000 0.892 447 L HN 0.152 nan 8.230 nan 0.000 0.431 448 A N 0.246 123.129 122.820 0.105 0.000 1.908 448 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 448 A C 2.374 180.039 177.584 0.135 0.000 1.181 448 A CA 1.958 54.049 52.037 0.089 0.000 0.627 448 A CB -1.314 17.738 19.000 0.087 0.000 0.818 448 A HN 0.472 nan 8.150 nan 0.000 0.445 449 G N -0.617 108.373 108.800 0.317 0.000 2.421 449 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.217 449 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.217 449 G C 1.529 176.664 174.900 0.390 0.000 1.143 449 G CA 0.852 46.173 45.100 0.367 0.000 0.784 449 G HN 0.425 nan 8.290 nan 0.000 0.541 450 L N 0.660 122.117 121.223 0.390 0.000 2.093 450 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 450 L C 3.361 180.301 176.870 0.117 0.000 1.085 450 L CA 0.885 55.871 54.840 0.243 0.000 0.755 450 L CB -0.313 41.859 42.059 0.189 0.000 0.904 450 L HN 0.283 nan 8.230 nan 0.000 0.435 451 A N 0.083 122.943 122.820 0.066 0.000 1.902 451 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 451 A C 2.009 179.591 177.584 -0.003 0.000 1.181 451 A CA 1.971 54.002 52.037 -0.009 0.000 0.623 451 A CB -0.722 18.225 19.000 -0.088 0.000 0.818 451 A HN 0.328 nan 8.150 nan 0.000 0.443 452 V N -3.929 115.997 119.914 0.019 0.000 3.596 452 V HA 0.547 4.667 4.120 -0.001 0.000 0.289 452 V C 1.274 177.392 176.094 0.039 0.000 1.336 452 V CA 0.478 62.781 62.300 0.006 0.000 1.137 452 V CB -0.866 30.949 31.823 -0.013 0.000 0.966 452 V HN 1.486 nan 8.190 nan 0.000 0.428 453 G N 0.207 109.046 108.800 0.065 0.000 2.153 453 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.252 453 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.252 453 G C 0.361 175.292 174.900 0.052 0.000 0.994 453 G CA 0.602 45.738 45.100 0.059 0.000 0.698 453 G HN 0.604 nan 8.290 nan 0.000 0.521 454 F N 0.101 119.963 119.950 -0.147 0.000 2.171 454 F HA 0.239 4.765 4.527 -0.001 0.000 0.300 454 F C 1.178 176.687 175.800 -0.486 0.000 1.090 454 F CA 1.211 58.990 58.000 -0.369 0.000 1.293 454 F CB 0.135 38.808 39.000 -0.544 0.000 1.013 454 F HN 0.286 nan 8.300 nan 0.000 0.486 455 W N 0.230 121.589 121.300 0.098 0.000 2.702 455 W HA 0.282 4.942 4.660 -0.001 0.000 0.331 455 W C 0.851 177.362 176.519 -0.014 0.000 1.049 455 W CA -0.871 56.461 57.345 -0.022 0.000 1.230 455 W CB 1.461 30.918 29.460 -0.006 0.000 1.408 455 W HN -0.329 nan 8.180 nan 0.000 0.492 456 K N 0.939 121.440 120.400 0.168 0.000 2.137 456 K HA -0.042 4.277 4.320 -0.001 0.000 0.202 456 K C 0.292 176.934 176.600 0.071 0.000 1.052 456 K CA 1.282 57.620 56.287 0.084 0.000 0.961 456 K CB 0.101 32.624 32.500 0.038 0.000 0.741 456 K HN 0.516 nan 8.250 nan 0.000 0.452 457 D N -2.650 117.786 120.400 0.059 0.000 2.615 457 D HA 0.081 4.720 4.640 -0.001 0.000 0.267 457 D C 0.557 176.808 176.300 -0.082 0.000 1.236 457 D CA -0.670 53.327 54.000 -0.005 0.000 0.839 457 D CB 0.241 41.030 40.800 -0.019 0.000 1.380 457 D HN -0.235 nan 8.370 nan 0.000 0.433 458 L N 0.252 121.389 121.223 -0.144 0.000 2.051 458 L HA -0.103 4.237 4.340 -0.001 0.000 0.214 458 L C 1.382 178.172 176.870 -0.134 0.000 1.076 458 L CA 1.831 56.521 54.840 -0.251 0.000 0.758 458 L CB -0.782 40.980 42.059 -0.495 0.000 0.890 458 L HN 0.514 nan 8.230 nan 0.000 0.433 459 D N -0.375 119.972 120.400 -0.089 0.000 2.324 459 D HA -0.025 4.614 4.640 -0.001 0.000 0.235 459 D C 0.363 176.627 176.300 -0.059 0.000 1.095 459 D CA 0.201 54.167 54.000 -0.056 0.000 0.871 459 D CB -0.104 40.676 40.800 -0.034 0.000 0.906 459 D HN 0.415 nan 8.370 nan 0.000 0.522 460 E N 1.304 121.458 120.200 -0.078 0.000 1.842 460 E HA 0.055 4.405 4.350 -0.001 0.000 0.278 460 E C 0.632 177.136 176.600 -0.160 0.000 1.171 460 E CA -0.163 56.181 56.400 -0.093 0.000 1.127 460 E CB 0.177 29.833 29.700 -0.073 0.000 1.100 460 E HN 0.220 nan 8.360 nan 0.000 0.456 461 L N 0.590 121.747 121.223 -0.109 0.000 2.483 461 L HA 0.007 4.346 4.340 -0.001 0.000 0.159 461 L C 0.950 177.741 176.870 -0.132 0.000 1.273 461 L CA 0.352 55.138 54.840 -0.090 0.000 2.526 461 L CB -0.511 41.516 42.059 -0.052 0.000 2.598 461 L HN 0.026 nan 8.230 nan 0.000 0.766 462 K N 0.389 120.725 120.400 -0.106 0.000 2.449 462 K HA 0.115 4.435 4.320 -0.001 0.000 0.237 462 K C 1.059 177.603 176.600 -0.093 0.000 1.265 462 K CA -0.083 56.134 56.287 -0.117 0.000 1.193 462 K CB -0.146 32.295 32.500 -0.097 0.000 1.515 462 K HN 0.428 nan 8.250 nan 0.000 0.259 463 S N 1.885 117.517 115.700 -0.113 0.000 2.336 463 S HA -0.051 4.418 4.470 -0.001 0.000 0.214 463 S C 1.029 175.593 174.600 -0.060 0.000 1.032 463 S CA 0.830 58.984 58.200 -0.076 0.000 1.001 463 S CB -0.017 63.135 63.200 -0.079 0.000 0.953 463 S HN 0.574 nan 8.310 nan 0.000 0.430 464 M N 1.201 120.752 119.600 -0.082 0.000 2.269 464 M HA 0.442 4.922 4.480 -0.001 0.000 0.350 464 M C -0.052 176.217 176.300 -0.052 0.000 1.429 464 M CA 0.196 55.468 55.300 -0.047 0.000 1.063 464 M CB -0.150 32.417 32.600 -0.055 0.000 1.841 464 M HN 0.220 nan 8.290 nan 0.000 0.455 465 A N 2.396 125.204 122.820 -0.019 0.000 2.536 465 A HA 0.211 4.531 4.320 -0.001 0.000 0.220 465 A C 0.969 178.551 177.584 -0.003 0.000 0.949 465 A CA -0.432 51.593 52.037 -0.022 0.000 1.224 465 A CB -0.183 18.794 19.000 -0.039 0.000 1.202 465 A HN 0.940 nan 8.150 nan 0.000 0.448 466 E N 1.163 121.373 120.200 0.017 0.000 2.245 466 E HA -0.298 4.051 4.350 -0.001 0.000 0.217 466 E C 1.011 177.621 176.600 0.017 0.000 1.069 466 E CA 1.896 58.312 56.400 0.026 0.000 0.877 466 E CB -0.514 29.215 29.700 0.049 0.000 0.757 466 E HN 0.927 nan 8.360 nan 0.000 0.464 467 E N -0.016 120.193 120.200 0.016 0.000 2.461 467 E HA 0.081 4.431 4.350 -0.001 0.000 0.263 467 E C 0.758 177.357 176.600 -0.002 0.000 1.143 467 E CA 0.832 57.239 56.400 0.013 0.000 0.994 467 E CB 0.486 30.195 29.700 0.016 0.000 0.973 467 E HN 0.084 nan 8.360 nan 0.000 0.457 468 G N 0.465 109.263 108.800 -0.003 0.000 3.791 468 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.176 468 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.176 468 G C -0.817 174.062 174.900 -0.035 0.000 1.298 468 G CA -0.169 44.916 45.100 -0.024 0.000 0.928 468 G HN 0.569 nan 8.290 nan 0.000 0.546 469 Q N 1.122 120.894 119.800 -0.047 0.000 2.751 469 Q HA 0.200 4.540 4.340 -0.001 0.000 0.338 469 Q C -0.242 175.638 176.000 -0.200 0.000 1.085 469 Q CA 0.453 56.168 55.803 -0.147 0.000 1.123 469 Q CB 0.222 28.884 28.738 -0.126 0.000 0.975 469 Q HN 0.406 nan 8.270 nan 0.000 0.399 470 M N 3.647 123.061 119.600 -0.309 0.000 2.238 470 M HA 0.491 4.970 4.480 -0.001 0.000 0.350 470 M C -1.796 174.269 176.300 -0.391 0.000 1.138 470 M CA -0.270 54.907 55.300 -0.205 0.000 1.040 470 M CB 0.773 33.303 32.600 -0.117 0.000 1.639 470 M HN 0.465 nan 8.290 nan 0.000 0.451 471 F N 2.308 122.244 119.950 -0.024 0.000 2.467 471 F HA 0.530 5.057 4.527 -0.001 0.000 0.336 471 F C 0.240 176.021 175.800 -0.032 0.000 1.123 471 F CA -0.636 57.346 58.000 -0.029 0.000 0.964 471 F CB 2.085 41.063 39.000 -0.036 0.000 1.136 471 F HN 0.467 nan 8.300 nan 0.000 0.447 472 T N 5.181 119.795 114.554 0.101 0.000 2.797 472 T HA 0.449 4.798 4.350 -0.001 0.000 0.279 472 T C -2.747 171.977 174.700 0.039 0.000 0.991 472 T CA -2.392 59.733 62.100 0.042 0.000 0.979 472 T CB 1.055 69.923 68.868 0.000 0.000 0.943 472 T HN 0.208 nan 8.240 nan 0.000 0.444 473 P HA 0.193 nan 4.420 nan 0.000 0.271 473 P C -0.086 177.211 177.300 -0.005 0.000 1.226 473 P CA 0.136 63.231 63.100 -0.008 0.000 0.765 473 P CB 0.398 32.079 31.700 -0.032 0.000 0.835 474 E N 2.536 122.734 120.200 -0.002 0.000 2.714 474 E HA 0.149 4.499 4.350 -0.001 0.000 0.219 474 E C 0.055 176.656 176.600 0.000 0.000 0.979 474 E CA -0.368 56.034 56.400 0.003 0.000 1.092 474 E CB 0.290 29.999 29.700 0.014 0.000 1.049 474 E HN 0.356 nan 8.360 nan 0.000 0.487 475 M N 3.033 122.625 119.600 -0.013 0.000 2.157 475 M HA 0.399 4.879 4.480 -0.001 0.000 0.354 475 M C -2.429 173.866 176.300 -0.008 0.000 1.170 475 M CA -2.109 53.185 55.300 -0.010 0.000 1.060 475 M CB 1.176 33.756 32.600 -0.033 0.000 1.615 475 M HN -0.184 nan 8.290 nan 0.000 0.460 476 P HA 0.116 nan 4.420 nan 0.000 0.271 476 P C -0.269 177.037 177.300 0.010 0.000 1.233 476 P CA -0.042 63.063 63.100 0.007 0.000 0.789 476 P CB 0.411 32.120 31.700 0.015 0.000 0.951 477 A N 0.814 123.640 122.820 0.010 0.000 1.898 477 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 477 A C 2.247 179.848 177.584 0.028 0.000 1.181 477 A CA 1.770 53.815 52.037 0.013 0.000 0.620 477 A CB -1.207 17.800 19.000 0.011 0.000 0.819 477 A HN 0.731 nan 8.150 nan 0.000 0.442 478 E N -0.180 120.038 120.200 0.031 0.000 2.038 478 E HA -0.286 4.064 4.350 -0.001 0.000 0.195 478 E C 2.044 178.678 176.600 0.057 0.000 1.000 478 E CA 1.610 58.035 56.400 0.041 0.000 0.803 478 E CB -0.226 29.495 29.700 0.036 0.000 0.750 478 E HN 0.738 nan 8.360 nan 0.000 0.448 479 E N 0.375 120.608 120.200 0.056 0.000 2.051 479 E HA -0.267 4.082 4.350 -0.001 0.000 0.192 479 E C 2.345 179.002 176.600 0.095 0.000 0.991 479 E CA 1.352 57.797 56.400 0.076 0.000 0.799 479 E CB -0.142 29.598 29.700 0.066 0.000 0.748 479 E HN 0.164 nan 8.360 nan 0.000 0.449 480 R N 0.327 120.863 120.500 0.061 0.000 2.081 480 R HA -0.167 4.172 4.340 -0.001 0.000 0.235 480 R C 1.545 177.916 176.300 0.118 0.000 1.131 480 R CA 2.063 58.191 56.100 0.047 0.000 0.960 480 R CB -0.112 30.178 30.300 -0.016 0.000 0.856 480 R HN 0.133 nan 8.270 nan 0.000 0.436 481 D N 0.341 120.806 120.400 0.108 0.000 2.103 481 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 481 D C 1.536 177.931 176.300 0.158 0.000 0.978 481 D CA 0.994 55.077 54.000 0.138 0.000 0.829 481 D CB -0.400 40.455 40.800 0.093 0.000 0.981 481 D HN 0.258 nan 8.370 nan 0.000 0.464 482 N N 0.539 119.318 118.700 0.133 0.000 2.120 482 N HA -0.091 4.648 4.740 -0.001 0.000 0.188 482 N C 2.078 177.706 175.510 0.196 0.000 1.024 482 N CA 0.428 53.556 53.050 0.131 0.000 0.852 482 N CB -0.433 38.124 38.487 0.117 0.000 1.003 482 N HN 0.234 nan 8.380 nan 0.000 0.424 483 L N -0.554 120.834 121.223 0.275 0.000 2.012 483 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 483 L C 2.308 179.441 176.870 0.438 0.000 1.073 483 L CA 1.359 56.467 54.840 0.447 0.000 0.748 483 L CB -0.522 41.847 42.059 0.518 0.000 0.891 483 L HN 0.164 nan 8.230 nan 0.000 0.431 484 Y N 0.809 121.264 120.300 0.258 0.000 2.314 484 Y HA -0.248 4.302 4.550 -0.001 0.000 0.293 484 Y C 2.522 178.464 175.900 0.071 0.000 1.129 484 Y CA 1.652 59.868 58.100 0.194 0.000 1.201 484 Y CB -0.058 38.522 38.460 0.200 0.000 0.999 484 Y HN 0.180 nan 8.280 nan 0.000 0.541 485 E N -0.177 120.030 120.200 0.011 0.000 2.110 485 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 485 E C 2.398 178.820 176.600 -0.297 0.000 0.988 485 E CA 1.591 57.903 56.400 -0.147 0.000 0.804 485 E CB -0.835 28.842 29.700 -0.038 0.000 0.745 485 E HN 0.508 nan 8.360 nan 0.000 0.458 486 G N 0.373 108.997 108.800 -0.293 0.000 2.403 486 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.216 486 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.216 486 G C 1.414 175.495 174.900 -1.364 0.000 1.154 486 G CA 0.587 45.289 45.100 -0.663 0.000 0.784 486 G HN 0.456 nan 8.290 nan 0.000 0.538 487 W N 1.724 122.232 121.300 -1.320 0.000 2.355 487 W HA -0.086 4.574 4.660 -0.001 0.000 0.309 487 W C 2.187 178.244 176.519 -0.770 0.000 1.206 487 W CA 1.493 58.168 57.345 -1.117 0.000 1.284 487 W CB -0.051 28.810 29.460 -0.998 0.000 1.145 487 W HN 0.182 nan 8.180 nan 0.000 0.502 488 K N -0.080 119.869 120.400 -0.753 0.000 2.057 488 K HA -0.232 4.087 4.320 -0.001 0.000 0.207 488 K C 2.121 178.334 176.600 -0.646 0.000 1.049 488 K CA 1.491 57.363 56.287 -0.691 0.000 0.931 488 K CB -0.519 31.671 32.500 -0.516 0.000 0.714 488 K HN 0.149 nan 8.250 nan 0.000 0.440 489 Q N 0.231 119.664 119.800 -0.612 0.000 2.135 489 Q HA -0.140 4.200 4.340 -0.001 0.000 0.204 489 Q C 2.211 177.739 176.000 -0.786 0.000 0.981 489 Q CA 1.635 57.089 55.803 -0.581 0.000 0.856 489 Q CB -0.239 28.199 28.738 -0.500 0.000 0.902 489 Q HN 0.354 nan 8.270 nan 0.000 0.425 490 A N 0.132 122.352 122.820 -0.999 0.000 1.898 490 A HA -0.106 4.213 4.320 -0.001 0.000 0.216 490 A C 2.407 179.381 177.584 -1.016 0.000 1.181 490 A CA 1.369 52.679 52.037 -1.211 0.000 0.620 490 A CB -0.542 17.952 19.000 -0.845 0.000 0.819 490 A HN 0.210 nan 8.150 nan 0.000 0.442 491 V N -0.174 119.116 119.914 -1.041 0.000 2.358 491 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 491 V C 3.028 178.756 176.094 -0.611 0.000 1.047 491 V CA 1.815 63.571 62.300 -0.906 0.000 1.035 491 V CB -1.151 30.004 31.823 -1.113 0.000 0.658 491 V HN 0.599 nan 8.190 nan 0.000 0.452 492 A N -0.094 122.409 122.820 -0.528 0.000 1.972 492 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 492 A C 2.356 179.760 177.584 -0.300 0.000 1.169 492 A CA 1.978 53.811 52.037 -0.340 0.000 0.635 492 A CB -0.573 18.259 19.000 -0.279 0.000 0.810 492 A HN 0.560 nan 8.150 nan 0.000 0.446 493 A N -1.293 121.271 122.820 -0.426 0.000 1.970 493 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 493 A C 2.232 179.787 177.584 -0.048 0.000 1.170 493 A CA 1.913 53.778 52.037 -0.287 0.000 0.645 493 A CB -1.039 17.672 19.000 -0.480 0.000 0.816 493 A HN 0.390 nan 8.150 nan 0.000 0.447 494 T N 0.505 115.015 114.554 -0.073 0.000 2.720 494 T HA -0.194 4.155 4.350 -0.001 0.000 0.268 494 T C 1.914 176.640 174.700 0.044 0.000 1.037 494 T CA 1.824 63.981 62.100 0.097 0.000 1.144 494 T CB -0.281 68.574 68.868 -0.022 0.000 0.864 494 T HN 0.624 nan 8.240 nan 0.000 0.444 495 Q N 0.371 120.126 119.800 -0.075 0.000 2.369 495 Q HA -0.049 4.290 4.340 -0.001 0.000 0.206 495 Q C 2.575 178.581 176.000 0.009 0.000 0.963 495 Q CA 1.401 57.174 55.803 -0.050 0.000 0.894 495 Q CB -0.191 28.486 28.738 -0.101 0.000 0.965 495 Q HN 0.679 nan 8.270 nan 0.000 0.475 496 T N -2.520 112.053 114.554 0.031 0.000 3.067 496 T HA -0.022 4.327 4.350 -0.001 0.000 0.257 496 T C 0.397 175.161 174.700 0.106 0.000 1.105 496 T CA -0.336 61.791 62.100 0.046 0.000 1.104 496 T CB -0.118 68.766 68.868 0.027 0.000 0.925 496 T HN 0.110 nan 8.240 nan 0.000 0.498 497 F N 3.201 123.171 119.950 0.034 0.000 2.494 497 F HA 0.468 4.995 4.527 -0.001 0.000 0.351 497 F C -0.053 175.796 175.800 0.082 0.000 1.205 497 F CA -0.755 57.284 58.000 0.065 0.000 1.125 497 F CB 0.150 39.192 39.000 0.071 0.000 1.268 497 F HN -0.165 nan 8.300 nan 0.000 0.593 498 K N 7.617 127.827 120.400 -0.317 0.000 2.954 498 K HA 0.116 4.435 4.320 -0.001 0.000 0.171 498 K C -0.788 175.651 176.600 -0.268 0.000 1.079 498 K CA -0.351 55.812 56.287 -0.207 0.000 0.908 498 K CB 0.217 32.670 32.500 -0.079 0.000 1.142 498 K HN 0.476 nan 8.250 nan 0.000 0.613 499 F N 0.000 119.539 119.950 -0.685 0.000 2.286 499 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 499 F CA 0.000 57.690 58.000 -0.516 0.000 1.383 499 F CB 0.000 38.561 39.000 -0.732 0.000 1.145 499 F HN 0.000 nan 8.300 nan 0.000 0.574