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 1c7i_1_A DATA FIRST_RESID 2 DATA SEQUENCE THQIVTTQYG KVKGTTENGV HKWKGIPYAK PPVGQWRFKA PEPPEVWEDV DATA SEQUENCE LDATVYGPVC PQPSDLLSLS YKELPRQSED CLYVNVFAPD TPSQNLPVMV DATA SEQUENCE WIHGGAFYLG AGSEPLYDGS KLAAQGEVIV VTLNYRLGPF GFMHLSSFDE DATA SEQUENCE AYSDNLGLLD QAAALKWVRE NISAFGGDPD NVTVFGESAG GMSIAALLAM DATA SEQUENCE PAAKGLFQKA IMESGASRTM TKEQAASTAA AFLQVLGINE SQLDRLHTVA DATA SEQUENCE AEDLLKAADQ LRIAEKENIF QLFFQPALDP KTLPEEPEKS IAEGAASGIP DATA SEQUENCE LLIGTTRDEG YFFFTPDSDV YSQETLDAAL EYLLGKPLAE KVADLYPRSL DATA SEQUENCE ESQIHMVTDL LFWRPAVAFA SAQSHYAPVW MYRFDWHPEK PPYNKAFHTL DATA SEQUENCE ELPFVFGNLD ELERMAKAEI TDEVKQLSHT IQSAWTTFAK TGNPSTEAVN DATA SEQUENCE WPAYHEESRE TVILDSEITI ENDPESEKRQ KLF 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.801 174.700 0.168 0.000 1.109 2 T CA 0.000 62.180 62.100 0.134 0.000 1.349 2 T CB 0.000 68.933 68.868 0.107 0.000 0.612 3 H N 1.806 120.882 119.070 0.010 0.000 2.547 3 H HA 0.263 4.818 4.556 -0.002 0.000 0.266 3 H C 0.406 175.746 175.328 0.019 0.000 0.988 3 H CA 0.700 56.755 56.048 0.012 0.000 1.147 3 H CB -0.146 29.627 29.762 0.017 0.000 1.365 3 H HN 0.384 nan 8.280 nan 0.000 0.589 4 Q N 0.005 119.727 119.800 -0.130 0.000 2.468 4 Q HA -0.160 4.179 4.340 -0.001 0.000 0.289 4 Q C -0.394 175.614 176.000 0.013 0.000 1.299 4 Q CA 0.645 56.413 55.803 -0.059 0.000 0.838 4 Q CB -2.622 26.049 28.738 -0.111 0.000 1.195 4 Q HN 0.639 nan 8.270 nan 0.000 0.456 5 I N 0.405 120.811 120.570 -0.272 0.000 2.331 5 I HA 0.342 4.512 4.170 -0.001 0.000 0.292 5 I C 0.479 176.524 176.117 -0.120 0.000 0.998 5 I CA -0.750 60.463 61.300 -0.145 0.000 1.267 5 I CB 1.452 39.298 38.000 -0.256 0.000 1.386 5 I HN -0.152 nan 8.210 nan 0.000 0.476 6 V N 4.885 124.736 119.914 -0.106 0.000 2.604 6 V HA 0.332 4.451 4.120 -0.001 0.000 0.305 6 V C -0.034 175.920 176.094 -0.234 0.000 1.043 6 V CA -0.600 61.492 62.300 -0.348 0.000 0.888 6 V CB 2.201 33.452 31.823 -0.954 0.000 0.995 6 V HN 0.690 nan 8.190 nan 0.000 0.429 7 T N 3.341 117.753 114.554 -0.237 0.000 2.728 7 T HA 0.452 4.801 4.350 -0.001 0.000 0.296 7 T C 0.362 174.948 174.700 -0.190 0.000 0.940 7 T CA -0.301 61.704 62.100 -0.158 0.000 1.013 7 T CB 0.820 69.601 68.868 -0.145 0.000 0.912 7 T HN 0.942 nan 8.240 nan 0.000 0.484 8 T N 0.343 114.836 114.554 -0.102 0.000 2.897 8 T HA 0.246 4.595 4.350 -0.001 0.000 0.278 8 T C 1.464 176.005 174.700 -0.265 0.000 0.981 8 T CA -0.953 61.086 62.100 -0.101 0.000 0.973 8 T CB 1.085 70.090 68.868 0.228 0.000 1.092 8 T HN 0.623 nan 8.240 nan 0.000 0.543 9 Q N -0.343 119.199 119.800 -0.430 0.000 2.439 9 Q HA -0.105 4.234 4.340 -0.001 0.000 0.211 9 Q C 0.334 175.942 176.000 -0.654 0.000 0.978 9 Q CA 1.343 56.799 55.803 -0.579 0.000 0.897 9 Q CB -0.535 27.764 28.738 -0.732 0.000 0.956 9 Q HN 0.842 nan 8.270 nan 0.000 0.483 10 Y N -0.121 120.005 120.300 -0.291 0.000 2.445 10 Y HA 0.517 5.067 4.550 -0.001 0.000 0.247 10 Y C 0.945 176.076 175.900 -1.281 0.000 1.129 10 Y CA -0.002 57.752 58.100 -0.577 0.000 1.251 10 Y CB 1.515 39.721 38.460 -0.424 0.000 1.176 10 Y HN 0.245 nan 8.280 nan 0.000 0.522 11 G N 0.088 108.326 108.800 -0.936 0.000 2.361 11 G HA2 0.126 4.085 3.960 -0.001 0.000 0.305 11 G HA3 0.126 4.085 3.960 -0.001 0.000 0.305 11 G C -1.518 173.259 174.900 -0.206 0.000 1.367 11 G CA -1.396 43.080 45.100 -1.041 0.000 0.951 11 G HN -0.081 nan 8.290 nan 0.000 0.615 12 K N -0.499 119.976 120.400 0.124 0.000 2.270 12 K HA 0.589 4.908 4.320 -0.001 0.000 0.276 12 K C 0.302 177.210 176.600 0.513 0.000 1.023 12 K CA -0.468 55.976 56.287 0.261 0.000 0.955 12 K CB 1.830 34.429 32.500 0.165 0.000 0.975 12 K HN 1.049 nan 8.250 nan 0.000 0.471 13 V N -1.065 119.063 119.914 0.356 0.000 2.789 13 V HA 0.519 4.638 4.120 -0.001 0.000 0.311 13 V C -0.951 175.338 176.094 0.325 0.000 1.073 13 V CA -1.011 61.517 62.300 0.379 0.000 0.921 13 V CB 1.765 33.868 31.823 0.467 0.000 1.009 13 V HN 0.742 nan 8.190 nan 0.000 0.426 14 K N 2.611 123.188 120.400 0.295 0.000 2.394 14 K HA 0.729 5.048 4.320 -0.001 0.000 0.260 14 K C 0.302 177.019 176.600 0.195 0.000 0.967 14 K CA -0.022 56.401 56.287 0.227 0.000 0.855 14 K CB 1.518 34.086 32.500 0.114 0.000 1.101 14 K HN 1.140 nan 8.250 nan 0.000 0.433 15 G N 0.920 109.767 108.800 0.078 0.000 2.695 15 G HA2 0.376 4.335 3.960 -0.001 0.000 0.213 15 G HA3 0.376 4.335 3.960 -0.001 0.000 0.213 15 G C -0.672 174.019 174.900 -0.348 0.000 1.406 15 G CA -0.208 44.622 45.100 -0.450 0.000 1.049 15 G HN 0.530 nan 8.290 nan 0.000 0.573 16 T N -2.423 111.852 114.554 -0.465 0.000 2.792 16 T HA 0.597 4.946 4.350 -0.001 0.000 0.303 16 T C -1.471 173.093 174.700 -0.226 0.000 1.310 16 T CA -0.392 61.558 62.100 -0.250 0.000 1.007 16 T CB 1.616 70.379 68.868 -0.174 0.000 1.335 16 T HN 0.481 nan 8.240 nan 0.000 0.504 17 T N 2.941 117.438 114.554 -0.095 0.000 2.840 17 T HA 0.602 4.951 4.350 -0.001 0.000 0.287 17 T C -1.274 173.388 174.700 -0.063 0.000 0.991 17 T CA -0.639 61.430 62.100 -0.051 0.000 0.964 17 T CB 1.143 70.041 68.868 0.051 0.000 0.954 17 T HN 0.596 nan 8.240 nan 0.000 0.438 18 E N 2.517 122.674 120.200 -0.072 0.000 2.246 18 E HA 0.333 4.682 4.350 -0.001 0.000 0.266 18 E C -0.420 176.153 176.600 -0.045 0.000 0.880 18 E CA -1.085 55.286 56.400 -0.048 0.000 0.762 18 E CB 1.219 30.899 29.700 -0.033 0.000 1.180 18 E HN 0.531 nan 8.360 nan 0.000 0.416 19 N N 1.904 120.580 118.700 -0.039 0.000 2.708 19 N HA -0.247 4.492 4.740 -0.001 0.000 0.251 19 N C 0.559 176.040 175.510 -0.049 0.000 1.017 19 N CA 1.390 54.419 53.050 -0.036 0.000 0.742 19 N CB -0.987 37.486 38.487 -0.024 0.000 0.943 19 N HN 1.071 nan 8.380 nan 0.000 0.539 20 G N -2.364 106.389 108.800 -0.079 0.000 2.147 20 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 20 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 20 G C -0.180 174.623 174.900 -0.161 0.000 1.005 20 G CA 0.282 45.315 45.100 -0.113 0.000 0.713 20 G HN 0.520 nan 8.290 nan 0.000 0.515 21 V N 1.953 121.766 119.914 -0.168 0.000 2.569 21 V HA 0.416 4.535 4.120 -0.001 0.000 0.301 21 V C -0.114 175.882 176.094 -0.163 0.000 1.044 21 V CA -1.429 60.797 62.300 -0.123 0.000 0.874 21 V CB 1.613 33.462 31.823 0.042 0.000 1.002 21 V HN 0.355 nan 8.190 nan 0.000 0.424 22 H N 4.014 123.073 119.070 -0.018 0.000 2.683 22 H HA 0.531 5.086 4.556 -0.001 0.000 0.339 22 H C -0.378 174.739 175.328 -0.352 0.000 1.081 22 H CA -0.072 55.812 56.048 -0.274 0.000 1.432 22 H CB 1.123 30.726 29.762 -0.265 0.000 1.462 22 H HN 0.540 nan 8.280 nan 0.000 0.557 23 K N 2.839 122.935 120.400 -0.507 0.000 2.468 23 K HA 0.322 4.641 4.320 -0.001 0.000 0.252 23 K C -0.944 175.329 176.600 -0.544 0.000 0.932 23 K CA -0.656 55.385 56.287 -0.410 0.000 0.794 23 K CB 2.511 34.841 32.500 -0.283 0.000 1.241 23 K HN 0.480 nan 8.250 nan 0.000 0.428 24 W N 3.013 124.242 121.300 -0.120 0.000 2.647 24 W HA 0.365 5.025 4.660 -0.001 0.000 0.328 24 W C -0.508 175.930 176.519 -0.134 0.000 1.018 24 W CA -0.742 56.587 57.345 -0.027 0.000 1.245 24 W CB 1.912 31.483 29.460 0.185 0.000 1.356 24 W HN 0.347 nan 8.180 nan 0.000 0.443 25 K N 0.716 121.130 120.400 0.023 0.000 2.259 25 K HA 0.599 4.918 4.320 -0.001 0.000 0.252 25 K C 0.545 177.164 176.600 0.032 0.000 0.936 25 K CA -0.811 55.445 56.287 -0.051 0.000 0.810 25 K CB 2.139 34.376 32.500 -0.438 0.000 1.143 25 K HN 0.603 nan 8.250 nan 0.000 0.427 26 G N 2.306 111.177 108.800 0.119 0.000 2.256 26 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.272 26 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.272 26 G C -0.182 174.847 174.900 0.215 0.000 1.076 26 G CA -0.387 44.749 45.100 0.061 0.000 0.882 26 G HN 0.519 nan 8.290 nan 0.000 0.497 27 I N 1.030 121.747 120.570 0.246 0.000 2.352 27 I HA 0.247 4.416 4.170 -0.001 0.000 0.290 27 I C -1.873 174.362 176.117 0.198 0.000 1.036 27 I CA -2.372 59.066 61.300 0.229 0.000 1.336 27 I CB 1.416 39.513 38.000 0.162 0.000 1.407 27 I HN -0.088 nan 8.210 nan 0.000 0.497 28 P HA 0.006 nan 4.420 nan 0.000 0.271 28 P C -0.567 176.721 177.300 -0.019 0.000 1.220 28 P CA 0.240 63.250 63.100 -0.149 0.000 0.768 28 P CB 0.222 31.854 31.700 -0.114 0.000 0.848 29 Y N 2.321 122.450 120.300 -0.284 0.000 2.471 29 Y HA 0.763 5.312 4.550 -0.002 0.000 0.249 29 Y C 0.018 175.867 175.900 -0.085 0.000 1.116 29 Y CA -0.532 57.462 58.100 -0.176 0.000 1.240 29 Y CB 0.259 38.493 38.460 -0.377 0.000 1.251 29 Y HN 0.355 nan 8.280 nan 0.000 0.527 30 A N 0.870 123.372 122.820 -0.530 0.000 2.599 30 A HA 0.477 4.796 4.320 -0.001 0.000 0.290 30 A C -1.561 175.766 177.584 -0.429 0.000 1.101 30 A CA -1.211 50.566 52.037 -0.434 0.000 0.674 30 A CB 1.103 19.805 19.000 -0.498 0.000 1.277 30 A HN 0.165 nan 8.150 nan 0.000 0.419 31 K N 0.788 120.992 120.400 -0.328 0.000 2.322 31 K HA 0.382 4.702 4.320 -0.001 0.000 0.283 31 K C -2.414 173.992 176.600 -0.324 0.000 1.042 31 K CA -1.463 54.619 56.287 -0.341 0.000 0.958 31 K CB 0.317 32.584 32.500 -0.388 0.000 0.984 31 K HN 0.292 nan 8.250 nan 0.000 0.473 32 P HA -0.048 nan 4.420 nan 0.000 0.256 32 P C -2.398 174.816 177.300 -0.143 0.000 1.173 32 P CA -0.697 62.269 63.100 -0.224 0.000 0.768 32 P CB 0.170 31.768 31.700 -0.171 0.000 0.758 33 P HA -0.003 nan 4.420 nan 0.000 0.226 33 P C -0.279 177.072 177.300 0.085 0.000 1.783 33 P CA 0.161 63.290 63.100 0.048 0.000 0.980 33 P CB -0.136 31.571 31.700 0.012 0.000 1.967 34 V N -2.205 117.781 119.914 0.119 0.000 2.850 34 V HA 0.854 4.973 4.120 -0.001 0.000 0.315 34 V C 1.061 177.321 176.094 0.275 0.000 1.064 34 V CA 0.169 62.552 62.300 0.138 0.000 0.979 34 V CB 0.804 32.668 31.823 0.068 0.000 1.039 34 V HN 0.549 nan 8.190 nan 0.000 0.452 35 G N 2.394 111.336 108.800 0.237 0.000 2.660 35 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.321 35 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.321 35 G C 0.725 175.838 174.900 0.355 0.000 1.246 35 G CA 1.122 46.392 45.100 0.283 0.000 1.000 35 G HN 1.034 nan 8.290 nan 0.000 0.550 36 Q N -0.494 119.431 119.800 0.208 0.000 2.364 36 Q HA -0.039 4.300 4.340 -0.001 0.000 0.209 36 Q C 1.983 177.788 176.000 -0.325 0.000 0.977 36 Q CA 1.445 57.097 55.803 -0.251 0.000 0.885 36 Q CB 0.014 28.422 28.738 -0.551 0.000 0.941 36 Q HN 0.690 nan 8.270 nan 0.000 0.464 37 W N 1.011 122.368 121.300 0.094 0.000 3.316 37 W HA 0.169 4.828 4.660 -0.002 0.000 0.327 37 W C 0.611 177.206 176.519 0.127 0.000 1.232 37 W CA -0.435 56.966 57.345 0.093 0.000 1.805 37 W CB 0.225 29.704 29.460 0.032 0.000 1.090 37 W HN 0.028 nan 8.180 nan 0.000 0.654 38 R N 0.664 121.359 120.500 0.325 0.000 2.491 38 R HA 0.088 4.427 4.340 -0.001 0.000 0.283 38 R C 0.199 176.579 176.300 0.133 0.000 1.072 38 R CA 0.298 56.432 56.100 0.057 0.000 1.048 38 R CB 0.063 30.330 30.300 -0.055 0.000 0.983 38 R HN 0.043 nan 8.270 nan 0.000 0.450 39 F N 0.197 120.217 119.950 0.116 0.000 2.840 39 F HA -0.287 4.239 4.527 -0.002 0.000 0.310 39 F C -0.288 175.628 175.800 0.193 0.000 0.688 39 F CA 1.013 59.023 58.000 0.017 0.000 1.286 39 F CB -1.507 37.289 39.000 -0.339 0.000 1.612 39 F HN 0.578 nan 8.300 nan 0.000 0.335 40 K N 0.115 120.707 120.400 0.320 0.000 2.267 40 K HA 0.843 5.162 4.320 -0.001 0.000 0.246 40 K C 0.327 177.051 176.600 0.206 0.000 0.954 40 K CA -0.442 56.012 56.287 0.279 0.000 0.824 40 K CB 1.909 34.542 32.500 0.221 0.000 1.167 40 K HN 0.069 nan 8.250 nan 0.000 0.431 41 A N 2.997 125.925 122.820 0.180 0.000 2.507 41 A HA 0.156 4.475 4.320 -0.001 0.000 0.235 41 A C -2.012 175.665 177.584 0.155 0.000 1.070 41 A CA -0.666 51.461 52.037 0.149 0.000 0.768 41 A CB -0.661 18.419 19.000 0.133 0.000 1.011 41 A HN 0.455 nan 8.150 nan 0.000 0.502 42 P HA 0.198 nan 4.420 nan 0.000 0.271 42 P C -0.644 176.715 177.300 0.098 0.000 1.216 42 P CA 0.140 63.295 63.100 0.091 0.000 0.771 42 P CB 0.853 32.601 31.700 0.080 0.000 0.864 43 E N 3.252 123.489 120.200 0.062 0.000 2.249 43 E HA 0.465 4.815 4.350 -0.001 0.000 0.263 43 E C -2.370 174.210 176.600 -0.034 0.000 0.950 43 E CA -2.345 54.088 56.400 0.055 0.000 0.827 43 E CB 0.308 30.058 29.700 0.085 0.000 1.220 43 E HN 0.317 nan 8.360 nan 0.000 0.411 44 P HA 0.096 nan 4.420 nan 0.000 0.269 44 P C -2.352 174.761 177.300 -0.312 0.000 1.215 44 P CA -0.759 62.254 63.100 -0.145 0.000 0.780 44 P CB -0.092 31.619 31.700 0.018 0.000 0.898 45 P HA 0.126 nan 4.420 nan 0.000 0.279 45 P C -0.500 176.637 177.300 -0.273 0.000 1.252 45 P CA -0.221 62.655 63.100 -0.373 0.000 0.811 45 P CB 0.709 32.221 31.700 -0.313 0.000 1.035 46 E N 0.609 120.741 120.200 -0.114 0.000 2.384 46 E HA 0.109 4.458 4.350 -0.001 0.000 0.266 46 E C 0.317 176.982 176.600 0.108 0.000 1.012 46 E CA -0.198 56.192 56.400 -0.017 0.000 0.901 46 E CB 0.440 30.134 29.700 -0.008 0.000 0.967 46 E HN 0.272 nan 8.360 nan 0.000 0.435 47 V N 0.595 120.559 119.914 0.082 0.000 3.096 47 V HA 0.367 4.486 4.120 -0.001 0.000 0.306 47 V C -0.239 175.955 176.094 0.166 0.000 1.088 47 V CA -0.427 61.898 62.300 0.041 0.000 1.129 47 V CB 0.009 31.819 31.823 -0.021 0.000 1.014 47 V HN 0.690 nan 8.190 nan 0.000 0.486 48 W N 2.056 123.411 121.300 0.091 0.000 2.883 48 W HA 0.774 5.434 4.660 -0.000 0.000 0.335 48 W C 0.108 176.667 176.519 0.068 0.000 1.083 48 W CA -0.633 56.752 57.345 0.067 0.000 1.233 48 W CB 1.162 30.663 29.460 0.069 0.000 1.412 48 W HN 0.704 nan 8.180 nan 0.000 0.490 49 E N 1.124 121.438 120.200 0.189 0.000 2.498 49 E HA -0.004 4.345 4.350 -0.001 0.000 0.203 49 E C 0.249 176.951 176.600 0.171 0.000 1.013 49 E CA -0.169 56.291 56.400 0.100 0.000 0.927 49 E CB 0.229 29.962 29.700 0.055 0.000 1.012 49 E HN 0.566 nan 8.360 nan 0.000 0.482 50 D N 1.101 121.668 120.400 0.279 0.000 2.360 50 D HA 0.111 4.750 4.640 -0.001 0.000 0.289 50 D C 0.115 176.588 176.300 0.287 0.000 1.183 50 D CA -0.610 53.523 54.000 0.223 0.000 1.082 50 D CB 0.613 41.515 40.800 0.170 0.000 1.146 50 D HN -0.140 nan 8.370 nan 0.000 0.545 51 V N 0.745 120.785 119.914 0.211 0.000 2.357 51 V HA 0.156 4.275 4.120 -0.001 0.000 0.281 51 V C -0.361 175.811 176.094 0.130 0.000 1.015 51 V CA -0.872 61.553 62.300 0.208 0.000 0.827 51 V CB 1.045 32.955 31.823 0.144 0.000 1.018 51 V HN 0.346 nan 8.190 nan 0.000 0.432 52 L N 4.277 125.570 121.223 0.117 0.000 2.410 52 L HA 0.352 4.691 4.340 -0.001 0.000 0.273 52 L C 0.297 177.179 176.870 0.019 0.000 1.152 52 L CA 0.393 55.182 54.840 -0.084 0.000 0.855 52 L CB 0.745 42.575 42.059 -0.382 0.000 1.129 52 L HN 0.743 nan 8.230 nan 0.000 0.463 53 D N 4.319 124.706 120.400 -0.022 0.000 2.352 53 D HA 0.351 4.990 4.640 -0.001 0.000 0.245 53 D C -0.084 176.217 176.300 0.002 0.000 1.224 53 D CA 0.184 54.185 54.000 0.001 0.000 0.879 53 D CB 0.864 41.648 40.800 -0.026 0.000 1.057 53 D HN 0.689 nan 8.370 nan 0.000 0.491 54 A N 3.495 126.356 122.820 0.068 0.000 3.293 54 A HA 0.288 4.607 4.320 -0.001 0.000 0.282 54 A C 1.033 178.617 177.584 0.000 0.000 1.394 54 A CA -0.284 51.809 52.037 0.092 0.000 1.118 54 A CB -0.423 18.756 19.000 0.298 0.000 1.133 54 A HN 0.595 nan 8.150 nan 0.000 0.627 55 T N -3.700 110.811 114.554 -0.072 0.000 3.040 55 T HA 0.409 4.758 4.350 -0.001 0.000 0.266 55 T C 0.067 174.646 174.700 -0.201 0.000 1.005 55 T CA 0.030 62.047 62.100 -0.138 0.000 0.906 55 T CB -0.026 68.777 68.868 -0.108 0.000 1.082 55 T HN 0.094 nan 8.240 nan 0.000 0.531 56 V N 1.660 121.461 119.914 -0.189 0.000 2.709 56 V HA 0.483 4.602 4.120 -0.001 0.000 0.308 56 V C -1.014 174.966 176.094 -0.190 0.000 1.062 56 V CA -1.530 60.643 62.300 -0.211 0.000 0.901 56 V CB 1.574 33.319 31.823 -0.130 0.000 1.003 56 V HN 0.274 nan 8.190 nan 0.000 0.425 57 Y N 1.992 122.246 120.300 -0.078 0.000 2.480 57 Y HA 0.445 4.994 4.550 -0.002 0.000 0.338 57 Y C 1.246 177.010 175.900 -0.226 0.000 1.220 57 Y CA 0.844 58.885 58.100 -0.098 0.000 1.430 57 Y CB 0.442 38.889 38.460 -0.021 0.000 1.311 57 Y HN 0.794 nan 8.280 nan 0.000 0.575 58 G N 2.727 111.416 108.800 -0.185 0.000 2.616 58 G HA2 0.416 4.375 3.960 -0.001 0.000 0.268 58 G HA3 0.416 4.375 3.960 -0.001 0.000 0.268 58 G C -2.636 172.099 174.900 -0.275 0.000 1.213 58 G CA -1.401 43.328 45.100 -0.619 0.000 0.926 58 G HN 0.374 nan 8.290 nan 0.000 0.523 59 P HA 0.255 nan 4.420 nan 0.000 0.272 59 P C 0.082 177.339 177.300 -0.072 0.000 1.240 59 P CA -0.377 62.649 63.100 -0.124 0.000 0.791 59 P CB 0.954 32.596 31.700 -0.097 0.000 0.978 60 V N -1.217 118.634 119.914 -0.105 0.000 2.834 60 V HA 0.423 4.542 4.120 -0.001 0.000 0.313 60 V C 0.001 176.019 176.094 -0.127 0.000 1.060 60 V CA -1.023 61.216 62.300 -0.102 0.000 0.989 60 V CB 1.265 33.002 31.823 -0.144 0.000 1.041 60 V HN 0.689 nan 8.190 nan 0.000 0.459 61 C N 5.817 125.039 119.300 -0.129 0.000 2.642 61 C HA 0.382 4.841 4.460 -0.001 0.000 0.420 61 C C -1.766 173.099 174.990 -0.208 0.000 1.349 61 C CA -0.820 58.078 59.018 -0.200 0.000 1.821 61 C CB -0.206 27.440 27.740 -0.156 0.000 2.637 61 C HN 0.951 nan 8.230 nan 0.000 0.605 62 P HA 0.157 nan 4.420 nan 0.000 0.265 62 P C -1.183 176.113 177.300 -0.007 0.000 1.193 62 P CA 0.814 63.806 63.100 -0.179 0.000 0.765 62 P CB 0.360 31.908 31.700 -0.253 0.000 0.823 63 Q N 2.270 122.086 119.800 0.026 0.000 2.633 63 Q HA 0.539 4.878 4.340 -0.001 0.000 0.289 63 Q C -3.101 172.934 176.000 0.058 0.000 0.940 63 Q CA -2.128 53.719 55.803 0.074 0.000 0.785 63 Q CB 0.873 29.619 28.738 0.013 0.000 1.467 63 Q HN 0.188 nan 8.270 nan 0.000 0.401 64 P HA 0.073 nan 4.420 nan 0.000 0.272 64 P C -0.154 177.161 177.300 0.025 0.000 1.230 64 P CA -0.233 62.914 63.100 0.078 0.000 0.788 64 P CB 0.734 32.518 31.700 0.140 0.000 0.949 65 S N 0.309 116.016 115.700 0.012 0.000 2.720 65 S HA -0.044 4.425 4.470 -0.001 0.000 0.222 65 S C 0.945 175.541 174.600 -0.007 0.000 0.958 65 S CA 0.330 58.522 58.200 -0.012 0.000 0.943 65 S CB -0.788 62.401 63.200 -0.017 0.000 0.779 65 S HN 0.468 nan 8.310 nan 0.000 0.526 66 D N 1.851 122.253 120.400 0.004 0.000 2.157 66 D HA -0.156 4.483 4.640 -0.001 0.000 0.191 66 D C 1.699 177.993 176.300 -0.009 0.000 1.004 66 D CA 1.013 55.015 54.000 0.003 0.000 0.854 66 D CB -0.104 40.707 40.800 0.019 0.000 0.936 66 D HN 0.327 nan 8.370 nan 0.000 0.446 67 L N -0.352 120.856 121.223 -0.025 0.000 2.316 67 L HA 0.178 4.517 4.340 -0.001 0.000 0.207 67 L C 1.760 178.645 176.870 0.025 0.000 1.070 67 L CA 0.939 55.776 54.840 -0.005 0.000 0.820 67 L CB -0.397 41.650 42.059 -0.021 0.000 0.992 67 L HN 0.040 nan 8.230 nan 0.000 0.466 68 L N 0.001 121.236 121.223 0.019 0.000 2.013 68 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 68 L C 2.550 179.468 176.870 0.081 0.000 1.073 68 L CA 1.750 56.627 54.840 0.062 0.000 0.753 68 L CB -1.113 40.892 42.059 -0.089 0.000 0.890 68 L HN 0.523 nan 8.230 nan 0.000 0.432 69 S N -0.718 114.995 115.700 0.020 0.000 2.537 69 S HA -0.053 4.416 4.470 -0.001 0.000 0.240 69 S C 1.631 176.247 174.600 0.026 0.000 0.981 69 S CA 0.747 58.957 58.200 0.017 0.000 0.948 69 S CB -0.257 62.943 63.200 -0.001 0.000 0.759 69 S HN 0.429 nan 8.310 nan 0.000 0.531 70 L N -0.261 120.980 121.223 0.030 0.000 2.547 70 L HA 0.274 4.613 4.340 -0.001 0.000 0.218 70 L C 2.714 179.575 176.870 -0.015 0.000 1.048 70 L CA 0.635 55.479 54.840 0.007 0.000 0.859 70 L CB -0.521 41.540 42.059 0.004 0.000 1.128 70 L HN 0.351 nan 8.230 nan 0.000 0.483 71 S N -0.956 114.739 115.700 -0.008 0.000 2.414 71 S HA 0.028 4.497 4.470 -0.001 0.000 0.227 71 S C 0.318 174.781 174.600 -0.228 0.000 1.022 71 S CA 0.598 58.712 58.200 -0.144 0.000 0.958 71 S CB 0.025 63.114 63.200 -0.183 0.000 0.797 71 S HN 0.169 nan 8.310 nan 0.000 0.493 72 Y N 1.382 121.616 120.300 -0.110 0.000 2.446 72 Y HA 0.422 4.971 4.550 -0.002 0.000 0.338 72 Y C 1.012 176.869 175.900 -0.072 0.000 1.055 72 Y CA -1.136 56.907 58.100 -0.095 0.000 1.101 72 Y CB 1.344 39.752 38.460 -0.087 0.000 1.221 72 Y HN 0.048 nan 8.280 nan 0.000 0.460 73 K N -0.273 120.182 120.400 0.092 0.000 2.426 73 K HA 0.190 4.509 4.320 -0.001 0.000 0.193 73 K C -0.748 175.885 176.600 0.054 0.000 1.028 73 K CA 0.683 56.996 56.287 0.044 0.000 1.047 73 K CB 0.305 32.808 32.500 0.005 0.000 0.821 73 K HN 0.610 nan 8.250 nan 0.000 0.513 74 E N 1.518 121.772 120.200 0.091 0.000 2.409 74 E HA 0.186 4.535 4.350 -0.001 0.000 0.259 74 E C -1.544 175.047 176.600 -0.014 0.000 0.932 74 E CA -0.718 55.705 56.400 0.040 0.000 0.809 74 E CB 1.403 31.128 29.700 0.042 0.000 1.341 74 E HN -0.043 nan 8.360 nan 0.000 0.405 75 L N 5.250 126.428 121.223 -0.076 0.000 2.667 75 L HA 0.022 4.362 4.340 -0.001 0.000 0.278 75 L C -1.705 174.999 176.870 -0.277 0.000 1.217 75 L CA -0.324 54.397 54.840 -0.198 0.000 0.935 75 L CB -0.208 41.773 42.059 -0.129 0.000 1.193 75 L HN 0.401 nan 8.230 nan 0.000 0.493 76 P HA 0.187 nan 4.420 nan 0.000 0.276 76 P C -1.068 176.071 177.300 -0.270 0.000 1.252 76 P CA -0.773 62.077 63.100 -0.416 0.000 0.802 76 P CB 0.537 31.818 31.700 -0.699 0.000 1.035 77 R N 0.816 121.204 120.500 -0.186 0.000 2.594 77 R HA 0.316 4.655 4.340 -0.001 0.000 0.272 77 R C -0.073 176.137 176.300 -0.151 0.000 1.074 77 R CA -0.522 55.492 56.100 -0.143 0.000 1.105 77 R CB 0.225 30.459 30.300 -0.110 0.000 1.008 77 R HN 0.439 nan 8.270 nan 0.000 0.472 78 Q N 0.806 120.528 119.800 -0.130 0.000 2.345 78 Q HA 0.507 4.846 4.340 -0.001 0.000 0.268 78 Q C -1.059 174.867 176.000 -0.124 0.000 1.054 78 Q CA -0.850 54.873 55.803 -0.134 0.000 0.835 78 Q CB 2.439 31.100 28.738 -0.127 0.000 1.339 78 Q HN 0.730 nan 8.270 nan 0.000 0.447 79 S N 0.096 115.706 115.700 -0.150 0.000 2.608 79 S HA 0.052 4.522 4.470 -0.001 0.000 0.285 79 S C -0.349 174.126 174.600 -0.209 0.000 1.108 79 S CA -0.540 57.571 58.200 -0.150 0.000 0.858 79 S CB 1.057 64.204 63.200 -0.089 0.000 1.077 79 S HN 0.744 nan 8.310 nan 0.000 0.450 80 E N 1.077 121.123 120.200 -0.256 0.000 2.333 80 E HA -0.113 4.237 4.350 -0.001 0.000 0.198 80 E C -0.108 176.394 176.600 -0.162 0.000 1.007 80 E CA 0.621 56.836 56.400 -0.309 0.000 0.845 80 E CB 0.051 29.607 29.700 -0.240 0.000 0.766 80 E HN 0.495 nan 8.360 nan 0.000 0.507 81 D N 0.496 120.841 120.400 -0.092 0.000 2.508 81 D HA -0.005 4.634 4.640 -0.001 0.000 0.224 81 D C 0.132 176.491 176.300 0.097 0.000 1.171 81 D CA -0.220 53.767 54.000 -0.022 0.000 1.006 81 D CB -0.083 40.724 40.800 0.012 0.000 1.073 81 D HN 0.164 nan 8.370 nan 0.000 0.513 82 C N 1.935 121.264 119.300 0.049 0.000 3.785 82 C HA 0.385 4.844 4.460 -0.001 0.000 0.312 82 C C 0.845 175.935 174.990 0.167 0.000 1.566 82 C CA -0.661 58.458 59.018 0.169 0.000 1.837 82 C CB -1.251 26.497 27.740 0.014 0.000 2.826 82 C HN 0.389 nan 8.230 nan 0.000 0.667 83 L N 2.636 123.724 121.223 -0.225 0.000 2.415 83 L HA 0.363 4.702 4.340 -0.001 0.000 0.269 83 L C -0.939 175.501 176.870 -0.716 0.000 1.244 83 L CA 0.616 55.165 54.840 -0.485 0.000 1.113 83 L CB -0.770 40.771 42.059 -0.864 0.000 1.352 83 L HN 0.371 nan 8.230 nan 0.000 0.433 84 Y N 0.427 120.802 120.300 0.125 0.000 2.553 84 Y HA 0.613 5.162 4.550 -0.001 0.000 0.347 84 Y C 0.109 176.130 175.900 0.201 0.000 1.019 84 Y CA -1.248 56.947 58.100 0.158 0.000 1.032 84 Y CB 2.010 40.505 38.460 0.058 0.000 1.284 84 Y HN 0.096 nan 8.280 nan 0.000 0.466 85 V N -0.624 119.382 119.914 0.154 0.000 2.919 85 V HA 0.730 4.850 4.120 -0.001 0.000 0.316 85 V C -1.041 175.071 176.094 0.029 0.000 1.077 85 V CA -0.913 61.358 62.300 -0.048 0.000 0.977 85 V CB 2.167 33.693 31.823 -0.495 0.000 1.039 85 V HN 0.807 nan 8.190 nan 0.000 0.441 86 N N 0.903 119.661 118.700 0.096 0.000 2.225 86 N HA 0.713 5.453 4.740 -0.001 0.000 0.298 86 N C -1.471 174.090 175.510 0.084 0.000 1.076 86 N CA -0.373 52.749 53.050 0.119 0.000 0.792 86 N CB 2.485 41.142 38.487 0.285 0.000 1.498 86 N HN 0.628 nan 8.380 nan 0.000 0.474 87 V N 1.840 121.756 119.914 0.003 0.000 2.540 87 V HA 0.550 4.669 4.120 -0.001 0.000 0.302 87 V C -1.117 175.043 176.094 0.111 0.000 1.035 87 V CA -0.649 61.728 62.300 0.128 0.000 0.873 87 V CB 0.999 32.822 31.823 -0.000 0.000 0.992 87 V HN 0.487 nan 8.190 nan 0.000 0.428 88 F N 2.924 123.089 119.950 0.358 0.000 2.460 88 F HA 0.822 5.348 4.527 -0.001 0.000 0.341 88 F C 0.350 176.342 175.800 0.319 0.000 1.130 88 F CA -0.521 57.666 58.000 0.311 0.000 0.962 88 F CB 1.989 41.124 39.000 0.225 0.000 1.171 88 F HN 0.569 nan 8.300 nan 0.000 0.436 89 A N 4.955 128.082 122.820 0.513 0.000 2.393 89 A HA 0.826 5.146 4.320 -0.001 0.000 0.306 89 A C -2.920 174.836 177.584 0.286 0.000 1.050 89 A CA -1.952 50.350 52.037 0.441 0.000 0.724 89 A CB 1.594 20.961 19.000 0.612 0.000 1.248 89 A HN 0.367 nan 8.150 nan 0.000 0.424 90 P HA 0.053 nan 4.420 nan 0.000 0.271 90 P C -0.824 176.501 177.300 0.040 0.000 1.216 90 P CA 0.039 63.184 63.100 0.075 0.000 0.771 90 P CB 0.814 32.559 31.700 0.075 0.000 0.864 91 D N 2.780 123.092 120.400 -0.146 0.000 2.398 91 D HA 0.115 4.755 4.640 -0.001 0.000 0.250 91 D C -0.594 175.733 176.300 0.045 0.000 1.287 91 D CA 0.616 54.527 54.000 -0.147 0.000 0.992 91 D CB -0.379 40.252 40.800 -0.282 0.000 1.071 91 D HN 0.194 nan 8.370 nan 0.000 0.514 92 T N 3.493 118.125 114.554 0.131 0.000 2.909 92 T HA 0.331 4.680 4.350 -0.001 0.000 0.299 92 T C -1.613 173.157 174.700 0.118 0.000 1.073 92 T CA -1.054 61.107 62.100 0.101 0.000 0.999 92 T CB 2.102 71.021 68.868 0.084 0.000 1.098 92 T HN 0.050 nan 8.240 nan 0.000 0.477 93 P HA 0.081 nan 4.420 nan 0.000 0.219 93 P C 0.198 177.539 177.300 0.069 0.000 1.150 93 P CA 0.421 63.566 63.100 0.076 0.000 0.814 93 P CB 0.157 31.890 31.700 0.055 0.000 0.787 94 S N 1.192 116.929 115.700 0.063 0.000 2.546 94 S HA 0.037 4.506 4.470 -0.001 0.000 0.290 94 S C 0.488 175.126 174.600 0.065 0.000 1.290 94 S CA -0.034 58.198 58.200 0.054 0.000 1.069 94 S CB 0.078 63.306 63.200 0.047 0.000 0.846 94 S HN 0.067 nan 8.310 nan 0.000 0.495 95 Q N 1.617 121.447 119.800 0.050 0.000 2.293 95 Q HA 0.342 4.681 4.340 -0.001 0.000 0.216 95 Q C 0.111 176.137 176.000 0.043 0.000 1.003 95 Q CA -0.825 55.008 55.803 0.051 0.000 0.995 95 Q CB 0.153 28.911 28.738 0.033 0.000 1.172 95 Q HN 0.703 nan 8.270 nan 0.000 0.518 96 N N -0.206 118.517 118.700 0.040 0.000 2.705 96 N HA -0.192 4.547 4.740 -0.001 0.000 0.255 96 N C -1.105 174.426 175.510 0.036 0.000 1.008 96 N CA 0.340 53.409 53.050 0.031 0.000 0.742 96 N CB -1.249 37.248 38.487 0.017 0.000 0.906 96 N HN 0.334 nan 8.380 nan 0.000 0.541 97 L N -0.241 121.015 121.223 0.055 0.000 2.436 97 L HA 0.382 4.721 4.340 -0.001 0.000 0.265 97 L C -1.540 175.357 176.870 0.044 0.000 1.168 97 L CA -1.707 53.165 54.840 0.054 0.000 0.815 97 L CB 0.414 42.523 42.059 0.083 0.000 1.109 97 L HN -0.044 nan 8.230 nan 0.000 0.462 98 P HA 0.057 nan 4.420 nan 0.000 0.269 98 P C -1.054 176.264 177.300 0.031 0.000 1.215 98 P CA -0.118 62.986 63.100 0.007 0.000 0.780 98 P CB 0.726 32.410 31.700 -0.027 0.000 0.898 99 V N 3.583 123.518 119.914 0.036 0.000 2.540 99 V HA 0.423 4.543 4.120 -0.001 0.000 0.302 99 V C 0.016 176.146 176.094 0.061 0.000 1.035 99 V CA -0.339 62.005 62.300 0.073 0.000 0.873 99 V CB 1.479 33.360 31.823 0.097 0.000 0.992 99 V HN 0.461 nan 8.190 nan 0.000 0.428 100 M N 4.756 124.404 119.600 0.080 0.000 2.125 100 M HA 0.515 4.994 4.480 -0.001 0.000 0.321 100 M C -1.123 175.394 176.300 0.361 0.000 0.983 100 M CA -0.620 54.712 55.300 0.053 0.000 0.934 100 M CB 1.959 34.399 32.600 -0.267 0.000 1.542 100 M HN 0.367 nan 8.290 nan 0.000 0.424 101 V N 3.541 123.710 119.914 0.425 0.000 2.350 101 V HA 0.280 4.399 4.120 -0.001 0.000 0.276 101 V C -0.594 175.812 176.094 0.520 0.000 1.028 101 V CA -0.614 61.942 62.300 0.427 0.000 0.860 101 V CB 1.131 33.090 31.823 0.226 0.000 0.990 101 V HN 0.846 nan 8.190 nan 0.000 0.453 102 W N 7.003 128.417 121.300 0.191 0.000 2.316 102 W HA 0.582 5.241 4.660 -0.002 0.000 0.311 102 W C -1.161 175.251 176.519 -0.179 0.000 1.217 102 W CA -0.734 56.449 57.345 -0.270 0.000 1.199 102 W CB 1.122 30.404 29.460 -0.297 0.000 1.202 102 W HN 0.437 nan 8.180 nan 0.000 0.528 103 I N 7.973 127.915 120.570 -1.048 0.000 2.390 103 I HA 0.052 4.221 4.170 -0.001 0.000 0.283 103 I C 0.945 176.262 176.117 -1.333 0.000 1.016 103 I CA -0.797 59.989 61.300 -0.856 0.000 1.151 103 I CB 0.878 38.514 38.000 -0.607 0.000 1.293 103 I HN 0.396 nan 8.210 nan 0.000 0.458 104 H N 4.773 123.305 119.070 -0.896 0.000 2.757 104 H HA 0.366 4.921 4.556 -0.002 0.000 0.370 104 H C 0.056 175.210 175.328 -0.290 0.000 1.172 104 H CA -0.355 55.300 56.048 -0.655 0.000 1.426 104 H CB 1.044 30.665 29.762 -0.235 0.000 1.438 104 H HN 0.611 nan 8.280 nan 0.000 0.612 105 G N -1.130 107.657 108.800 -0.021 0.000 2.531 105 G HA2 0.454 4.413 3.960 -0.001 0.000 0.281 105 G HA3 0.454 4.413 3.960 -0.001 0.000 0.281 105 G C 0.349 175.337 174.900 0.147 0.000 1.382 105 G CA -0.698 44.393 45.100 -0.016 0.000 1.045 105 G HN 1.221 nan 8.290 nan 0.000 0.533 106 G N -2.805 106.036 108.800 0.068 0.000 2.192 106 G HA2 0.378 4.338 3.960 -0.001 0.000 0.152 106 G HA3 0.378 4.338 3.960 -0.001 0.000 0.152 106 G C 0.674 175.583 174.900 0.016 0.000 1.057 106 G CA 0.857 45.993 45.100 0.060 0.000 0.748 106 G HN 2.268 nan 8.290 nan 0.000 0.488 107 A N -1.146 121.699 122.820 0.043 0.000 2.771 107 A HA -0.009 4.310 4.320 -0.001 0.000 0.294 107 A C 1.417 179.174 177.584 0.289 0.000 1.500 107 A CA 1.626 53.756 52.037 0.156 0.000 0.829 107 A CB -2.134 17.127 19.000 0.434 0.000 0.998 107 A HN 1.972 nan 8.150 nan 0.000 0.526 108 F N -5.631 114.403 119.950 0.139 0.000 2.794 108 F HA -0.368 4.158 4.527 -0.002 0.000 0.335 108 F C 0.848 176.793 175.800 0.242 0.000 0.653 108 F CA 2.456 60.465 58.000 0.014 0.000 1.266 108 F CB -2.337 36.441 39.000 -0.369 0.000 1.666 108 F HN 1.246 nan 8.300 nan 0.000 0.314 109 Y N -2.059 118.359 120.300 0.196 0.000 2.666 109 Y HA 0.736 5.285 4.550 -0.002 0.000 0.260 109 Y C -0.137 175.825 175.900 0.104 0.000 1.089 109 Y CA -0.880 57.302 58.100 0.136 0.000 1.246 109 Y CB -0.021 38.478 38.460 0.065 0.000 1.353 109 Y HN -0.042 nan 8.280 nan 0.000 0.558 110 L N 0.898 121.966 121.223 -0.258 0.000 2.309 110 L HA 0.910 5.249 4.340 -0.001 0.000 0.261 110 L C 0.287 177.122 176.870 -0.059 0.000 1.021 110 L CA -0.758 53.929 54.840 -0.255 0.000 0.823 110 L CB 2.043 43.844 42.059 -0.429 0.000 1.366 110 L HN 0.364 nan 8.230 nan 0.000 0.423 111 G N 0.727 109.470 108.800 -0.095 0.000 2.603 111 G HA2 0.395 4.354 3.960 -0.001 0.000 0.686 111 G HA3 0.395 4.354 3.960 -0.001 0.000 0.686 111 G C -1.298 173.309 174.900 -0.489 0.000 1.286 111 G CA -0.240 44.735 45.100 -0.208 0.000 0.871 111 G HN 1.258 nan 8.290 nan 0.000 0.568 112 A N -1.481 120.834 122.820 -0.841 0.000 2.594 112 A HA 0.903 5.222 4.320 -0.001 0.000 0.296 112 A C 0.993 178.339 177.584 -0.397 0.000 1.056 112 A CA 0.612 52.294 52.037 -0.592 0.000 0.693 112 A CB 0.910 19.811 19.000 -0.165 0.000 1.278 112 A HN 2.481 nan 8.150 nan 0.000 0.408 113 G N 0.261 109.033 108.800 -0.046 0.000 2.471 113 G HA2 0.056 4.015 3.960 -0.001 0.000 0.219 113 G HA3 0.056 4.015 3.960 -0.001 0.000 0.219 113 G C 1.107 176.078 174.900 0.119 0.000 1.125 113 G CA 1.577 46.801 45.100 0.207 0.000 0.775 113 G HN 1.612 nan 8.290 nan 0.000 0.548 114 S N -0.004 115.633 115.700 -0.104 0.000 2.660 114 S HA 0.260 4.729 4.470 -0.001 0.000 0.227 114 S C 0.307 174.679 174.600 -0.379 0.000 0.948 114 S CA -0.457 57.462 58.200 -0.469 0.000 0.948 114 S CB 0.128 62.717 63.200 -1.019 0.000 0.779 114 S HN 0.482 nan 8.310 nan 0.000 0.487 115 E N 2.383 122.430 120.200 -0.255 0.000 2.413 115 E HA 0.086 4.435 4.350 -0.001 0.000 0.263 115 E C -1.710 174.480 176.600 -0.683 0.000 1.015 115 E CA -1.750 54.267 56.400 -0.638 0.000 0.916 115 E CB 0.368 29.700 29.700 -0.614 0.000 0.947 115 E HN 0.131 nan 8.360 nan 0.000 0.440 116 P HA -0.209 nan 4.420 nan 0.000 0.217 116 P C 1.250 178.215 177.300 -0.558 0.000 1.148 116 P CA 0.760 63.561 63.100 -0.498 0.000 0.828 116 P CB 0.146 31.581 31.700 -0.442 0.000 0.783 117 L N -1.643 119.117 121.223 -0.772 0.000 2.127 117 L HA -0.165 4.174 4.340 -0.001 0.000 0.211 117 L C 1.376 177.564 176.870 -1.137 0.000 1.089 117 L CA 1.920 56.225 54.840 -0.892 0.000 0.757 117 L CB -1.312 40.121 42.059 -1.043 0.000 0.899 117 L HN 0.010 nan 8.230 nan 0.000 0.434 118 Y N -0.926 118.841 120.300 -0.887 0.000 2.461 118 Y HA 0.225 4.774 4.550 -0.001 0.000 0.277 118 Y C 0.747 176.205 175.900 -0.737 0.000 1.182 118 Y CA -1.370 55.928 58.100 -1.336 0.000 1.276 118 Y CB -1.154 36.745 38.460 -0.935 0.000 1.087 118 Y HN 0.164 nan 8.280 nan 0.000 0.519 119 D N 1.052 121.215 120.400 -0.394 0.000 2.472 119 D HA -0.036 4.603 4.640 -0.001 0.000 0.248 119 D C 1.227 177.220 176.300 -0.511 0.000 1.174 119 D CA 0.638 54.452 54.000 -0.310 0.000 0.883 119 D CB 1.290 42.004 40.800 -0.144 0.000 1.149 119 D HN 0.495 nan 8.370 nan 0.000 0.488 120 G N 2.810 110.825 108.800 -1.309 0.000 3.181 120 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.219 120 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.219 120 G C 1.439 176.001 174.900 -0.564 0.000 1.182 120 G CA -0.124 44.467 45.100 -0.848 0.000 0.791 120 G HN 0.450 nan 8.290 nan 0.000 0.537 121 S N 0.952 116.385 115.700 -0.444 0.000 2.353 121 S HA -0.121 4.348 4.470 -0.001 0.000 0.222 121 S C 2.282 176.858 174.600 -0.041 0.000 1.035 121 S CA 1.128 59.300 58.200 -0.048 0.000 1.025 121 S CB -0.118 63.108 63.200 0.043 0.000 0.902 121 S HN 0.443 nan 8.310 nan 0.000 0.440 122 K N 0.547 120.904 120.400 -0.073 0.000 2.057 122 K HA -0.026 4.293 4.320 -0.001 0.000 0.207 122 K C 2.150 178.708 176.600 -0.070 0.000 1.049 122 K CA 0.915 57.164 56.287 -0.063 0.000 0.931 122 K CB -0.440 32.014 32.500 -0.077 0.000 0.714 122 K HN 0.170 nan 8.250 nan 0.000 0.440 123 L N 1.301 122.467 121.223 -0.094 0.000 2.046 123 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 123 L C 2.220 179.053 176.870 -0.063 0.000 1.077 123 L CA 1.736 56.505 54.840 -0.119 0.000 0.747 123 L CB -0.698 41.243 42.059 -0.196 0.000 0.896 123 L HN 0.123 nan 8.230 nan 0.000 0.432 124 A N -0.612 122.199 122.820 -0.015 0.000 1.855 124 A HA -0.069 4.250 4.320 -0.001 0.000 0.215 124 A C 2.448 180.053 177.584 0.035 0.000 1.191 124 A CA 1.853 53.920 52.037 0.051 0.000 0.613 124 A CB -1.214 17.874 19.000 0.146 0.000 0.829 124 A HN 0.541 nan 8.150 nan 0.000 0.442 125 A N -1.168 121.664 122.820 0.020 0.000 1.877 125 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 125 A C 2.113 179.695 177.584 -0.004 0.000 1.186 125 A CA 1.723 53.765 52.037 0.009 0.000 0.620 125 A CB -0.478 18.521 19.000 -0.002 0.000 0.822 125 A HN 0.480 nan 8.150 nan 0.000 0.443 126 Q N -0.797 118.990 119.800 -0.022 0.000 2.172 126 Q HA -0.051 4.288 4.340 -0.001 0.000 0.200 126 Q C 1.960 177.937 176.000 -0.039 0.000 0.964 126 Q CA 1.502 57.286 55.803 -0.031 0.000 0.855 126 Q CB -0.637 28.070 28.738 -0.051 0.000 0.918 126 Q HN 0.649 nan 8.270 nan 0.000 0.444 127 G N -0.121 108.653 108.800 -0.042 0.000 2.887 127 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.211 127 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.211 127 G C 0.139 175.029 174.900 -0.016 0.000 1.152 127 G CA 0.168 45.242 45.100 -0.042 0.000 0.769 127 G HN 0.421 nan 8.290 nan 0.000 0.541 128 E N -0.643 119.559 120.200 0.002 0.000 2.271 128 E HA -0.168 4.181 4.350 -0.001 0.000 0.223 128 E C -0.218 176.401 176.600 0.032 0.000 1.223 128 E CA 0.136 56.551 56.400 0.024 0.000 0.704 128 E CB -1.517 28.195 29.700 0.020 0.000 1.194 128 E HN 0.606 nan 8.360 nan 0.000 0.375 129 V N -1.857 118.081 119.914 0.040 0.000 3.130 129 V HA 0.725 4.844 4.120 -0.001 0.000 0.310 129 V C 0.354 176.509 176.094 0.102 0.000 1.158 129 V CA -1.135 61.194 62.300 0.048 0.000 1.029 129 V CB 1.861 33.685 31.823 0.002 0.000 1.057 129 V HN 0.189 nan 8.190 nan 0.000 0.436 130 I N 1.565 122.212 120.570 0.128 0.000 2.396 130 I HA 0.514 4.683 4.170 -0.001 0.000 0.292 130 I C -0.615 175.631 176.117 0.214 0.000 0.999 130 I CA -0.715 60.706 61.300 0.202 0.000 1.310 130 I CB 1.799 39.921 38.000 0.203 0.000 1.404 130 I HN 0.428 nan 8.210 nan 0.000 0.496 131 V N 7.051 127.153 119.914 0.312 0.000 2.448 131 V HA 0.382 4.501 4.120 -0.001 0.000 0.295 131 V C -0.173 176.217 176.094 0.494 0.000 1.025 131 V CA -0.622 61.896 62.300 0.364 0.000 0.859 131 V CB 2.006 34.006 31.823 0.295 0.000 0.988 131 V HN 0.383 nan 8.190 nan 0.000 0.431 132 V N 4.230 124.410 119.914 0.443 0.000 2.448 132 V HA 0.687 4.806 4.120 -0.001 0.000 0.295 132 V C 0.264 176.616 176.094 0.431 0.000 1.025 132 V CA -0.377 62.159 62.300 0.394 0.000 0.859 132 V CB 2.091 34.078 31.823 0.274 0.000 0.988 132 V HN 1.022 nan 8.190 nan 0.000 0.431 133 T N 2.960 117.769 114.554 0.424 0.000 2.942 133 T HA 0.963 5.312 4.350 -0.001 0.000 0.289 133 T C -0.785 174.076 174.700 0.269 0.000 1.044 133 T CA -0.762 61.583 62.100 0.408 0.000 1.023 133 T CB 2.048 71.198 68.868 0.469 0.000 1.123 133 T HN 0.910 nan 8.240 nan 0.000 0.512 134 L N -1.504 119.874 121.223 0.259 0.000 2.838 134 L HA 0.771 5.110 4.340 -0.001 0.000 0.266 134 L C -1.732 175.322 176.870 0.307 0.000 1.040 134 L CA -1.166 53.802 54.840 0.213 0.000 0.906 134 L CB 1.379 43.472 42.059 0.057 0.000 1.501 134 L HN 0.563 nan 8.230 nan 0.000 0.407 135 N N 0.127 119.024 118.700 0.329 0.000 2.384 135 N HA 0.725 5.464 4.740 -0.001 0.000 0.301 135 N C -1.626 174.111 175.510 0.378 0.000 1.133 135 N CA -0.296 52.935 53.050 0.302 0.000 0.853 135 N CB 1.749 40.354 38.487 0.198 0.000 1.241 135 N HN 0.802 nan 8.380 nan 0.000 0.502 136 Y N -2.223 118.227 120.300 0.250 0.000 2.562 136 Y HA 0.551 5.100 4.550 -0.002 0.000 0.345 136 Y C -0.009 176.009 175.900 0.197 0.000 1.045 136 Y CA -1.313 56.914 58.100 0.211 0.000 1.028 136 Y CB 0.927 39.492 38.460 0.175 0.000 1.297 136 Y HN 0.181 nan 8.280 nan 0.000 0.463 137 R N 2.456 123.106 120.500 0.250 0.000 2.585 137 R HA 0.307 4.647 4.340 -0.001 0.000 0.275 137 R C -0.782 175.710 176.300 0.319 0.000 1.018 137 R CA 0.264 56.465 56.100 0.168 0.000 1.072 137 R CB 0.181 30.548 30.300 0.113 0.000 0.953 137 R HN 0.696 nan 8.270 nan 0.000 0.419 138 L N 1.282 122.678 121.223 0.288 0.000 2.271 138 L HA 0.497 4.836 4.340 -0.001 0.000 0.265 138 L C 1.469 178.598 176.870 0.431 0.000 1.013 138 L CA -0.576 54.527 54.840 0.438 0.000 0.820 138 L CB 1.196 43.396 42.059 0.236 0.000 1.352 138 L HN 0.872 nan 8.230 nan 0.000 0.443 139 G N 1.064 110.086 108.800 0.371 0.000 2.684 139 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.332 139 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.332 139 G C -1.476 173.268 174.900 -0.260 0.000 1.306 139 G CA 0.539 45.581 45.100 -0.097 0.000 1.002 139 G HN 0.597 nan 8.290 nan 0.000 0.545 140 P HA 0.082 nan 4.420 nan 0.000 0.229 140 P C 1.569 178.670 177.300 -0.331 0.000 1.160 140 P CA 1.562 64.383 63.100 -0.464 0.000 0.777 140 P CB -0.146 31.175 31.700 -0.631 0.000 0.814 141 F N 0.170 120.070 119.950 -0.083 0.000 2.416 141 F HA 0.209 4.735 4.527 -0.002 0.000 0.296 141 F C 2.522 178.238 175.800 -0.140 0.000 1.099 141 F CA 1.410 59.307 58.000 -0.171 0.000 1.427 141 F CB -0.894 38.023 39.000 -0.138 0.000 1.079 141 F HN -0.018 nan 8.300 nan 0.000 0.536 142 G N -2.050 106.815 108.800 0.109 0.000 2.727 142 G HA2 0.097 4.056 3.960 -0.001 0.000 0.207 142 G HA3 0.097 4.056 3.960 -0.001 0.000 0.207 142 G C 0.386 174.930 174.900 -0.593 0.000 1.060 142 G CA 0.052 45.061 45.100 -0.151 0.000 0.814 142 G HN 0.242 nan 8.290 nan 0.000 0.576 143 F N 0.435 120.425 119.950 0.068 0.000 2.841 143 F HA 0.553 5.079 4.527 -0.001 0.000 0.358 143 F C 0.042 175.611 175.800 -0.385 0.000 1.261 143 F CA -0.769 57.169 58.000 -0.103 0.000 1.233 143 F CB 1.326 40.384 39.000 0.096 0.000 1.008 143 F HN -0.051 nan 8.300 nan 0.000 0.507 144 M N 1.667 121.090 119.600 -0.296 0.000 2.072 144 M HA 0.374 4.853 4.480 -0.001 0.000 0.331 144 M C -1.131 174.930 176.300 -0.399 0.000 1.004 144 M CA -0.564 54.542 55.300 -0.323 0.000 0.952 144 M CB 0.203 32.702 32.600 -0.168 0.000 1.511 144 M HN 0.066 nan 8.290 nan 0.000 0.422 145 H N 7.346 126.397 119.070 -0.032 0.000 2.741 145 H HA 0.330 4.885 4.556 -0.002 0.000 0.282 145 H C -0.027 175.304 175.328 0.004 0.000 1.122 145 H CA -0.155 55.891 56.048 -0.004 0.000 1.293 145 H CB 0.459 30.225 29.762 0.007 0.000 1.415 145 H HN 0.781 nan 8.280 nan 0.000 0.472 146 L N 1.844 123.098 121.223 0.051 0.000 2.769 146 L HA 0.001 4.340 4.340 -0.001 0.000 0.240 146 L C 2.161 179.231 176.870 0.334 0.000 1.163 146 L CA 0.019 54.907 54.840 0.081 0.000 0.962 146 L CB 0.148 41.963 42.059 -0.407 0.000 1.258 146 L HN 0.471 nan 8.230 nan 0.000 0.513 147 S N -0.088 115.777 115.700 0.275 0.000 2.387 147 S HA -0.253 4.216 4.470 -0.001 0.000 0.230 147 S C 2.189 176.907 174.600 0.197 0.000 1.035 147 S CA 1.653 59.999 58.200 0.243 0.000 1.014 147 S CB -0.614 62.681 63.200 0.159 0.000 0.836 147 S HN 0.576 nan 8.310 nan 0.000 0.466 148 S N 0.536 116.335 115.700 0.166 0.000 2.469 148 S HA 0.039 4.508 4.470 -0.001 0.000 0.238 148 S C 1.255 175.790 174.600 -0.108 0.000 0.998 148 S CA 0.679 58.874 58.200 -0.007 0.000 0.957 148 S CB -0.837 62.298 63.200 -0.110 0.000 0.764 148 S HN 0.554 nan 8.310 nan 0.000 0.514 149 F N 1.366 121.364 119.950 0.080 0.000 2.714 149 F HA 0.444 4.970 4.527 -0.002 0.000 0.294 149 F C 0.529 176.381 175.800 0.087 0.000 1.120 149 F CA -0.208 57.844 58.000 0.086 0.000 1.398 149 F CB 0.428 39.490 39.000 0.103 0.000 1.120 149 F HN 0.205 nan 8.300 nan 0.000 0.589 150 D N -0.589 119.962 120.400 0.252 0.000 2.633 150 D HA 0.029 4.668 4.640 -0.001 0.000 0.198 150 D C 0.418 176.733 176.300 0.026 0.000 1.273 150 D CA -0.041 53.986 54.000 0.045 0.000 0.830 150 D CB 0.923 41.602 40.800 -0.202 0.000 1.771 150 D HN -0.183 nan 8.370 nan 0.000 0.547 151 E N 1.885 122.082 120.200 -0.005 0.000 2.401 151 E HA -0.083 4.266 4.350 -0.001 0.000 0.199 151 E C 1.549 178.145 176.600 -0.007 0.000 1.023 151 E CA 0.896 57.303 56.400 0.012 0.000 0.859 151 E CB 0.097 29.796 29.700 -0.002 0.000 0.780 151 E HN 0.530 nan 8.360 nan 0.000 0.523 152 A N 0.243 123.002 122.820 -0.102 0.000 2.014 152 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 152 A C 0.568 178.131 177.584 -0.036 0.000 1.163 152 A CA 0.543 52.499 52.037 -0.135 0.000 0.652 152 A CB -0.201 18.630 19.000 -0.282 0.000 0.808 152 A HN 0.050 nan 8.150 nan 0.000 0.449 153 Y N 0.023 120.378 120.300 0.092 0.000 2.301 153 Y HA 0.517 5.066 4.550 -0.001 0.000 0.328 153 Y C 0.672 176.642 175.900 0.116 0.000 1.242 153 Y CA -1.238 56.938 58.100 0.127 0.000 1.323 153 Y CB 0.842 39.376 38.460 0.125 0.000 1.266 153 Y HN -0.000 nan 8.280 nan 0.000 0.527 154 S N 1.626 117.518 115.700 0.320 0.000 2.503 154 S HA 0.389 4.858 4.470 -0.001 0.000 0.301 154 S C -1.063 173.656 174.600 0.198 0.000 1.087 154 S CA -0.979 57.347 58.200 0.210 0.000 1.042 154 S CB 1.123 64.424 63.200 0.168 0.000 1.043 154 S HN 0.454 nan 8.310 nan 0.000 0.489 155 D N 1.567 122.074 120.400 0.179 0.000 2.388 155 D HA 0.320 4.959 4.640 -0.001 0.000 0.254 155 D C 0.169 176.586 176.300 0.194 0.000 1.111 155 D CA -0.219 53.930 54.000 0.248 0.000 0.993 155 D CB 0.267 41.176 40.800 0.182 0.000 1.118 155 D HN 0.488 nan 8.370 nan 0.000 0.502 156 N N 0.181 119.058 118.700 0.295 0.000 2.727 156 N HA -0.191 4.548 4.740 -0.001 0.000 0.249 156 N C 1.068 176.526 175.510 -0.087 0.000 1.048 156 N CA 0.178 53.277 53.050 0.081 0.000 0.714 156 N CB -1.104 37.438 38.487 0.092 0.000 0.959 156 N HN 0.414 nan 8.380 nan 0.000 0.544 157 L N -0.426 120.713 121.223 -0.141 0.000 2.043 157 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 157 L C 2.632 179.423 176.870 -0.133 0.000 1.075 157 L CA 2.149 56.933 54.840 -0.094 0.000 0.752 157 L CB -0.532 41.492 42.059 -0.059 0.000 0.891 157 L HN 0.439 nan 8.230 nan 0.000 0.432 158 G N -0.095 108.454 108.800 -0.419 0.000 2.450 158 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.220 158 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.220 158 G C 1.613 176.543 174.900 0.051 0.000 1.130 158 G CA 0.589 45.623 45.100 -0.110 0.000 0.760 158 G HN 0.258 nan 8.290 nan 0.000 0.557 159 L N -0.250 120.972 121.223 -0.003 0.000 2.156 159 L HA 0.106 4.445 4.340 -0.001 0.000 0.208 159 L C 2.803 179.716 176.870 0.073 0.000 1.095 159 L CA 0.322 55.207 54.840 0.074 0.000 0.770 159 L CB -0.333 41.798 42.059 0.120 0.000 0.914 159 L HN 0.187 nan 8.230 nan 0.000 0.439 160 L N -0.532 120.733 121.223 0.070 0.000 2.141 160 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 160 L C 2.164 179.122 176.870 0.146 0.000 1.094 160 L CA 0.810 55.711 54.840 0.102 0.000 0.763 160 L CB -0.546 41.570 42.059 0.094 0.000 0.908 160 L HN 0.256 nan 8.230 nan 0.000 0.437 161 D N 0.006 120.504 120.400 0.164 0.000 2.097 161 D HA -0.192 4.447 4.640 -0.001 0.000 0.195 161 D C 2.276 178.745 176.300 0.281 0.000 0.989 161 D CA 1.150 55.317 54.000 0.278 0.000 0.827 161 D CB -0.130 40.855 40.800 0.309 0.000 0.966 161 D HN 0.369 nan 8.370 nan 0.000 0.456 162 Q N 0.368 120.257 119.800 0.148 0.000 2.061 162 Q HA -0.107 4.232 4.340 -0.001 0.000 0.204 162 Q C 2.227 178.265 176.000 0.064 0.000 0.984 162 Q CA 1.570 57.396 55.803 0.038 0.000 0.846 162 Q CB -0.157 28.532 28.738 -0.081 0.000 0.902 162 Q HN 0.227 nan 8.270 nan 0.000 0.421 163 A N 0.917 123.802 122.820 0.109 0.000 1.933 163 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 163 A C 2.261 179.936 177.584 0.152 0.000 1.175 163 A CA 1.587 53.704 52.037 0.134 0.000 0.628 163 A CB -0.735 18.343 19.000 0.129 0.000 0.814 163 A HN 0.410 nan 8.150 nan 0.000 0.444 164 A N -0.243 122.693 122.820 0.193 0.000 1.930 164 A HA 0.225 4.544 4.320 -0.001 0.000 0.217 164 A C 2.465 180.179 177.584 0.217 0.000 1.175 164 A CA 1.830 54.028 52.037 0.268 0.000 0.627 164 A CB -0.884 18.343 19.000 0.378 0.000 0.815 164 A HN 1.002 nan 8.150 nan 0.000 0.443 165 A N -0.274 122.500 122.820 -0.076 0.000 1.930 165 A HA 0.001 4.320 4.320 -0.001 0.000 0.217 165 A C 2.123 179.714 177.584 0.012 0.000 1.175 165 A CA 1.393 53.156 52.037 -0.457 0.000 0.627 165 A CB -0.539 17.974 19.000 -0.812 0.000 0.815 165 A HN 0.461 nan 8.150 nan 0.000 0.443 166 L N -0.778 120.492 121.223 0.078 0.000 2.141 166 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 166 L C 2.586 179.568 176.870 0.186 0.000 1.094 166 L CA 1.720 56.657 54.840 0.161 0.000 0.763 166 L CB -0.306 41.870 42.059 0.196 0.000 0.908 166 L HN 0.456 nan 8.230 nan 0.000 0.437 167 K N -0.391 120.123 120.400 0.189 0.000 2.097 167 K HA -0.247 4.072 4.320 -0.001 0.000 0.205 167 K C 2.117 178.835 176.600 0.196 0.000 1.050 167 K CA 1.411 57.800 56.287 0.170 0.000 0.938 167 K CB -0.263 32.343 32.500 0.176 0.000 0.718 167 K HN 0.281 nan 8.250 nan 0.000 0.442 168 W N 0.925 122.274 121.300 0.081 0.000 2.358 168 W HA -0.227 4.433 4.660 -0.001 0.000 0.303 168 W C 1.512 178.058 176.519 0.044 0.000 1.208 168 W CA 1.313 58.714 57.345 0.093 0.000 1.274 168 W CB -0.199 29.340 29.460 0.131 0.000 1.138 168 W HN -0.173 nan 8.180 nan 0.000 0.515 169 V N 1.178 121.301 119.914 0.348 0.000 2.343 169 V HA -0.317 3.802 4.120 -0.001 0.000 0.247 169 V C 2.531 178.606 176.094 -0.032 0.000 1.051 169 V CA 2.381 64.778 62.300 0.161 0.000 1.036 169 V CB -1.017 30.950 31.823 0.241 0.000 0.654 169 V HN 0.243 nan 8.190 nan 0.000 0.451 170 R N -0.069 120.441 120.500 0.015 0.000 2.081 170 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 170 R C 2.205 178.449 176.300 -0.093 0.000 1.131 170 R CA 1.581 57.671 56.100 -0.016 0.000 0.960 170 R CB -0.085 30.226 30.300 0.018 0.000 0.856 170 R HN 0.470 nan 8.270 nan 0.000 0.436 171 E N -0.197 119.914 120.200 -0.147 0.000 2.285 171 E HA -0.050 4.299 4.350 -0.001 0.000 0.194 171 E C 0.958 177.358 176.600 -0.333 0.000 0.997 171 E CA 0.739 57.011 56.400 -0.214 0.000 0.845 171 E CB 0.099 29.675 29.700 -0.206 0.000 0.782 171 E HN 0.493 nan 8.360 nan 0.000 0.491 172 N N -0.156 118.237 118.700 -0.512 0.000 2.317 172 N HA 0.028 4.767 4.740 -0.001 0.000 0.199 172 N C 1.703 177.039 175.510 -0.290 0.000 1.145 172 N CA -0.091 52.621 53.050 -0.564 0.000 0.882 172 N CB 0.428 38.230 38.487 -1.142 0.000 1.113 172 N HN 0.012 nan 8.380 nan 0.000 0.486 173 I N 2.619 123.033 120.570 -0.259 0.000 2.399 173 I HA -0.253 3.916 4.170 -0.001 0.000 0.254 173 I C 2.321 178.474 176.117 0.059 0.000 1.146 173 I CA 1.140 62.423 61.300 -0.028 0.000 1.412 173 I CB -0.318 37.671 38.000 -0.018 0.000 1.076 173 I HN 0.108 nan 8.210 nan 0.000 0.432 174 S N 0.364 116.049 115.700 -0.025 0.000 2.419 174 S HA -0.136 4.333 4.470 -0.001 0.000 0.233 174 S C 2.174 176.744 174.600 -0.050 0.000 1.016 174 S CA 0.830 59.014 58.200 -0.026 0.000 0.974 174 S CB -0.907 62.260 63.200 -0.055 0.000 0.786 174 S HN 0.461 nan 8.310 nan 0.000 0.492 175 A N 0.395 123.153 122.820 -0.104 0.000 2.066 175 A HA 0.292 4.611 4.320 -0.001 0.000 0.218 175 A C 1.434 178.775 177.584 -0.406 0.000 1.157 175 A CA 0.624 52.497 52.037 -0.273 0.000 0.670 175 A CB -0.715 18.036 19.000 -0.414 0.000 0.804 175 A HN 0.581 nan 8.150 nan 0.000 0.453 176 F N -1.027 118.784 119.950 -0.233 0.000 2.693 176 F HA 0.385 4.911 4.527 -0.001 0.000 0.303 176 F C 1.715 177.484 175.800 -0.051 0.000 1.097 176 F CA 0.503 58.341 58.000 -0.270 0.000 1.330 176 F CB 0.320 39.089 39.000 -0.386 0.000 1.067 176 F HN 0.316 nan 8.300 nan 0.000 0.565 177 G N 0.090 108.951 108.800 0.101 0.000 2.144 177 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.218 177 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.218 177 G C 0.517 175.482 174.900 0.108 0.000 0.988 177 G CA -0.327 44.838 45.100 0.108 0.000 0.659 177 G HN 0.720 nan 8.290 nan 0.000 0.522 178 G N -0.795 108.067 108.800 0.103 0.000 2.491 178 G HA2 0.531 4.490 3.960 -0.001 0.000 0.327 178 G HA3 0.531 4.490 3.960 -0.001 0.000 0.327 178 G C -1.106 173.821 174.900 0.044 0.000 1.189 178 G CA 0.117 45.267 45.100 0.082 0.000 0.956 178 G HN 0.212 nan 8.290 nan 0.000 0.491 179 D N 0.253 120.675 120.400 0.038 0.000 2.427 179 D HA 0.310 4.949 4.640 -0.001 0.000 0.226 179 D C -1.251 175.061 176.300 0.019 0.000 1.076 179 D CA -2.328 51.684 54.000 0.019 0.000 0.849 179 D CB 2.076 42.885 40.800 0.014 0.000 1.052 179 D HN 0.043 nan 8.370 nan 0.000 0.515 180 P HA -0.016 nan 4.420 nan 0.000 0.234 180 P C 0.001 177.310 177.300 0.015 0.000 1.167 180 P CA 0.512 63.617 63.100 0.009 0.000 0.763 180 P CB 0.608 32.298 31.700 -0.016 0.000 0.835 181 D N -0.718 119.687 120.400 0.008 0.000 2.363 181 D HA 0.047 4.686 4.640 -0.001 0.000 0.214 181 D C 0.408 176.712 176.300 0.007 0.000 1.093 181 D CA 0.274 54.276 54.000 0.005 0.000 0.837 181 D CB -0.231 40.566 40.800 -0.005 0.000 0.948 181 D HN 0.303 nan 8.370 nan 0.000 0.507 182 N N 0.749 119.457 118.700 0.012 0.000 2.703 182 N HA 0.146 4.886 4.740 -0.001 0.000 0.283 182 N C -1.400 174.121 175.510 0.018 0.000 1.851 182 N CA -0.098 52.953 53.050 0.000 0.000 0.826 182 N CB 0.933 39.410 38.487 -0.017 0.000 1.239 182 N HN -0.281 nan 8.380 nan 0.000 0.495 183 V N 1.403 121.351 119.914 0.057 0.000 2.394 183 V HA 0.394 4.513 4.120 -0.001 0.000 0.282 183 V C 0.274 176.436 176.094 0.113 0.000 1.031 183 V CA -0.177 62.182 62.300 0.097 0.000 0.881 183 V CB 1.473 33.387 31.823 0.152 0.000 0.982 183 V HN 0.270 nan 8.190 nan 0.000 0.451 184 T N 4.506 119.097 114.554 0.062 0.000 2.770 184 T HA 0.435 4.784 4.350 -0.001 0.000 0.283 184 T C -0.491 174.244 174.700 0.058 0.000 0.988 184 T CA -0.221 61.902 62.100 0.038 0.000 0.957 184 T CB 1.621 70.459 68.868 -0.051 0.000 0.930 184 T HN 0.451 nan 8.240 nan 0.000 0.443 185 V N 6.374 126.261 119.914 -0.046 0.000 2.481 185 V HA 0.845 4.964 4.120 -0.001 0.000 0.286 185 V C -1.241 174.936 176.094 0.139 0.000 1.042 185 V CA -0.621 61.635 62.300 -0.074 0.000 0.928 185 V CB 0.441 31.888 31.823 -0.628 0.000 0.986 185 V HN 0.743 nan 8.190 nan 0.000 0.462 186 F N 4.122 124.044 119.950 -0.046 0.000 2.601 186 F HA 1.018 5.544 4.527 -0.002 0.000 0.309 186 F C -0.252 175.461 175.800 -0.144 0.000 1.089 186 F CA -1.306 56.713 58.000 0.032 0.000 0.940 186 F CB 1.473 40.620 39.000 0.245 0.000 1.273 186 F HN 0.796 nan 8.300 nan 0.000 0.450 187 G N 1.135 109.754 108.800 -0.302 0.000 2.601 187 G HA2 0.497 4.456 3.960 -0.001 0.000 0.291 187 G HA3 0.497 4.456 3.960 -0.001 0.000 0.291 187 G C -2.547 172.103 174.900 -0.417 0.000 1.456 187 G CA -0.778 43.754 45.100 -0.947 0.000 0.804 187 G HN 0.879 nan 8.290 nan 0.000 0.499 188 E N 0.160 120.092 120.200 -0.447 0.000 2.312 188 E HA 0.659 5.008 4.350 -0.001 0.000 0.267 188 E C 0.633 177.196 176.600 -0.062 0.000 0.894 188 E CA 0.341 56.713 56.400 -0.046 0.000 0.773 188 E CB 2.294 32.108 29.700 0.190 0.000 1.241 188 E HN 1.078 nan 8.360 nan 0.000 0.432 189 S N 2.433 118.195 115.700 0.104 0.000 4.059 189 S HA -0.388 4.081 4.470 -0.001 0.000 0.624 189 S C 1.465 176.066 174.600 0.002 0.000 2.019 189 S CA 2.232 60.588 58.200 0.259 0.000 4.197 189 S CB -1.671 61.692 63.200 0.272 0.000 0.215 189 S HN 1.052 nan 8.310 nan 0.000 0.609 190 A N 1.042 123.722 122.820 -0.233 0.000 2.024 190 A HA 0.158 4.478 4.320 -0.001 0.000 0.220 190 A C 2.478 179.746 177.584 -0.526 0.000 1.164 190 A CA 2.408 53.978 52.037 -0.778 0.000 0.643 190 A CB -1.576 16.594 19.000 -1.383 0.000 0.806 190 A HN 1.657 nan 8.150 nan 0.000 0.451 191 G N -0.761 107.797 108.800 -0.404 0.000 2.421 191 G HA2 0.110 4.069 3.960 -0.001 0.000 0.217 191 G HA3 0.110 4.069 3.960 -0.001 0.000 0.217 191 G C 1.437 176.136 174.900 -0.334 0.000 1.143 191 G CA 1.085 45.905 45.100 -0.467 0.000 0.784 191 G HN 0.645 nan 8.290 nan 0.000 0.541 192 G N 0.707 109.376 108.800 -0.219 0.000 2.403 192 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.216 192 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.216 192 G C 1.845 176.667 174.900 -0.129 0.000 1.154 192 G CA 0.732 45.749 45.100 -0.138 0.000 0.784 192 G HN 0.410 nan 8.290 nan 0.000 0.538 193 M N 0.917 120.479 119.600 -0.064 0.000 2.229 193 M HA 0.002 4.481 4.480 -0.001 0.000 0.264 193 M C 2.808 179.145 176.300 0.062 0.000 1.063 193 M CA 0.994 56.307 55.300 0.022 0.000 1.114 193 M CB 0.001 32.722 32.600 0.201 0.000 1.387 193 M HN 0.134 nan 8.290 nan 0.000 0.420 194 S N 0.667 116.393 115.700 0.044 0.000 2.383 194 S HA -0.022 4.447 4.470 -0.001 0.000 0.227 194 S C 1.808 176.392 174.600 -0.026 0.000 1.026 194 S CA 1.029 59.254 58.200 0.041 0.000 0.981 194 S CB -0.315 62.826 63.200 -0.099 0.000 0.818 194 S HN 0.390 nan 8.310 nan 0.000 0.472 195 I N 1.591 122.097 120.570 -0.106 0.000 2.394 195 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 195 I C 2.606 178.714 176.117 -0.016 0.000 1.136 195 I CA 0.855 62.095 61.300 -0.100 0.000 1.425 195 I CB -0.408 37.485 38.000 -0.179 0.000 1.079 195 I HN 0.255 nan 8.210 nan 0.000 0.425 196 A N 0.832 123.582 122.820 -0.117 0.000 1.883 196 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 196 A C 2.542 180.186 177.584 0.101 0.000 1.186 196 A CA 2.000 53.934 52.037 -0.171 0.000 0.624 196 A CB -0.825 17.933 19.000 -0.403 0.000 0.822 196 A HN 0.425 nan 8.150 nan 0.000 0.444 197 A N -0.398 122.470 122.820 0.080 0.000 1.898 197 A HA 0.013 4.333 4.320 -0.001 0.000 0.216 197 A C 2.151 179.819 177.584 0.141 0.000 1.181 197 A CA 1.402 53.507 52.037 0.113 0.000 0.620 197 A CB -0.619 18.441 19.000 0.099 0.000 0.819 197 A HN 0.463 nan 8.150 nan 0.000 0.442 198 L N -0.603 120.716 121.223 0.161 0.000 2.131 198 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 198 L C 2.366 179.408 176.870 0.286 0.000 1.092 198 L CA 0.860 55.841 54.840 0.234 0.000 0.759 198 L CB -0.482 41.760 42.059 0.303 0.000 0.903 198 L HN 0.359 nan 8.230 nan 0.000 0.435 199 L N -0.540 120.882 121.223 0.332 0.000 2.275 199 L HA -0.126 4.213 4.340 -0.001 0.000 0.215 199 L C 2.112 179.074 176.870 0.154 0.000 1.119 199 L CA 0.818 55.837 54.840 0.298 0.000 0.790 199 L CB -0.347 41.946 42.059 0.390 0.000 0.919 199 L HN 0.240 nan 8.230 nan 0.000 0.443 200 A N -1.396 121.511 122.820 0.145 0.000 2.470 200 A HA 0.353 4.673 4.320 -0.001 0.000 0.251 200 A C 0.664 178.282 177.584 0.057 0.000 1.245 200 A CA -0.331 51.756 52.037 0.083 0.000 0.932 200 A CB 0.080 19.140 19.000 0.099 0.000 1.037 200 A HN 0.168 nan 8.150 nan 0.000 0.522 201 M N 0.547 120.186 119.600 0.066 0.000 2.113 201 M HA 0.278 4.757 4.480 -0.001 0.000 0.352 201 M C -1.893 174.424 176.300 0.027 0.000 1.170 201 M CA -1.963 53.368 55.300 0.052 0.000 1.053 201 M CB 1.786 34.431 32.600 0.074 0.000 1.601 201 M HN -0.081 nan 8.290 nan 0.000 0.459 202 P HA -0.188 nan 4.420 nan 0.000 0.216 202 P C 0.750 178.055 177.300 0.008 0.000 1.157 202 P CA 1.324 64.426 63.100 0.004 0.000 0.880 202 P CB 0.144 31.848 31.700 0.007 0.000 0.791 203 A N -1.299 121.537 122.820 0.027 0.000 2.258 203 A HA 0.269 4.588 4.320 -0.001 0.000 0.206 203 A C 1.717 179.326 177.584 0.041 0.000 1.222 203 A CA 1.157 53.216 52.037 0.037 0.000 0.822 203 A CB -1.044 17.988 19.000 0.054 0.000 0.804 203 A HN 0.209 nan 8.150 nan 0.000 0.483 204 A N -0.992 121.843 122.820 0.024 0.000 2.508 204 A HA 0.287 4.606 4.320 -0.001 0.000 0.250 204 A C 0.515 178.045 177.584 -0.091 0.000 1.208 204 A CA -0.319 51.730 52.037 0.019 0.000 0.960 204 A CB 0.168 19.219 19.000 0.085 0.000 1.099 204 A HN 0.147 nan 8.150 nan 0.000 0.542 205 K N 0.498 120.849 120.400 -0.082 0.000 2.484 205 K HA 0.226 4.546 4.320 -0.001 0.000 0.280 205 K C 1.204 177.720 176.600 -0.139 0.000 1.013 205 K CA 1.023 57.235 56.287 -0.126 0.000 1.029 205 K CB 0.107 32.562 32.500 -0.074 0.000 0.902 205 K HN 0.916 nan 8.250 nan 0.000 0.481 206 G N 2.519 111.197 108.800 -0.203 0.000 2.166 206 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.260 206 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.260 206 G C 0.676 175.492 174.900 -0.139 0.000 0.986 206 G CA 0.408 45.413 45.100 -0.159 0.000 0.683 206 G HN 0.571 nan 8.290 nan 0.000 0.527 207 L N -1.138 119.966 121.223 -0.198 0.000 2.558 207 L HA 0.414 4.753 4.340 -0.001 0.000 0.225 207 L C 0.905 177.852 176.870 0.128 0.000 1.128 207 L CA 0.576 55.406 54.840 -0.017 0.000 0.868 207 L CB -0.271 41.840 42.059 0.087 0.000 1.006 207 L HN 0.500 nan 8.230 nan 0.000 0.454 208 F N -4.327 115.647 119.950 0.039 0.000 2.703 208 F HA 0.442 4.969 4.527 -0.001 0.000 0.308 208 F C 0.013 175.831 175.800 0.030 0.000 1.126 208 F CA -1.048 56.976 58.000 0.040 0.000 0.959 208 F CB 1.031 40.067 39.000 0.061 0.000 1.297 208 F HN -0.376 nan 8.300 nan 0.000 0.441 209 Q N 0.618 120.563 119.800 0.241 0.000 2.317 209 Q HA 0.404 4.743 4.340 -0.001 0.000 0.220 209 Q C -0.784 175.307 176.000 0.152 0.000 0.873 209 Q CA 0.444 56.320 55.803 0.122 0.000 0.936 209 Q CB 0.799 29.561 28.738 0.041 0.000 1.105 209 Q HN 0.629 nan 8.270 nan 0.000 0.520 210 K N -0.736 119.800 120.400 0.228 0.000 2.512 210 K HA 0.853 5.172 4.320 -0.001 0.000 0.263 210 K C -1.539 175.224 176.600 0.271 0.000 0.966 210 K CA -0.891 55.492 56.287 0.161 0.000 0.851 210 K CB 2.372 34.759 32.500 -0.188 0.000 1.395 210 K HN -0.047 nan 8.250 nan 0.000 0.440 211 A N 1.755 124.789 122.820 0.357 0.000 2.520 211 A HA 0.744 5.063 4.320 -0.001 0.000 0.298 211 A C -1.388 176.303 177.584 0.180 0.000 1.051 211 A CA -0.704 51.455 52.037 0.205 0.000 0.690 211 A CB 0.915 20.003 19.000 0.147 0.000 1.281 211 A HN 0.629 nan 8.150 nan 0.000 0.402 212 I N 1.939 122.553 120.570 0.074 0.000 2.439 212 I HA 0.363 4.532 4.170 -0.001 0.000 0.285 212 I C -0.764 175.374 176.117 0.035 0.000 1.021 212 I CA -0.156 61.117 61.300 -0.046 0.000 1.091 212 I CB 1.857 39.812 38.000 -0.074 0.000 1.242 212 I HN 0.620 nan 8.210 nan 0.000 0.439 213 M N 6.019 125.620 119.600 0.001 0.000 2.023 213 M HA 0.359 4.838 4.480 -0.001 0.000 0.325 213 M C -0.720 175.637 176.300 0.095 0.000 0.963 213 M CA -0.310 54.992 55.300 0.004 0.000 0.928 213 M CB 1.238 33.784 32.600 -0.091 0.000 1.429 213 M HN 0.427 nan 8.290 nan 0.000 0.404 214 E N 1.529 121.841 120.200 0.187 0.000 2.146 214 E HA 0.314 4.663 4.350 -0.001 0.000 0.282 214 E C -0.174 176.559 176.600 0.221 0.000 0.989 214 E CA -0.428 56.156 56.400 0.306 0.000 0.799 214 E CB 1.086 31.033 29.700 0.412 0.000 1.088 214 E HN 0.668 nan 8.360 nan 0.000 0.397 215 S N 1.962 117.807 115.700 0.241 0.000 3.447 215 S HA -0.165 4.304 4.470 -0.001 0.000 0.371 215 S C 0.006 174.903 174.600 0.495 0.000 0.951 215 S CA 0.625 59.017 58.200 0.321 0.000 1.269 215 S CB -1.010 62.290 63.200 0.167 0.000 0.919 215 S HN 0.874 nan 8.310 nan 0.000 0.516 216 G N -1.059 107.939 108.800 0.330 0.000 2.405 216 G HA2 0.709 4.668 3.960 -0.001 0.000 0.312 216 G HA3 0.709 4.668 3.960 -0.001 0.000 0.312 216 G C -0.668 174.230 174.900 -0.004 0.000 1.579 216 G CA 0.228 45.454 45.100 0.210 0.000 0.933 216 G HN 0.936 nan 8.290 nan 0.000 0.628 217 A N 1.059 123.841 122.820 -0.064 0.000 3.886 217 A HA 0.920 5.239 4.320 -0.001 0.000 0.217 217 A C 0.719 178.185 177.584 -0.197 0.000 0.876 217 A CA 0.274 52.153 52.037 -0.263 0.000 0.726 217 A CB 0.397 19.290 19.000 -0.179 0.000 1.479 217 A HN 1.930 nan 8.150 nan 0.000 0.792 218 S N -0.249 115.370 115.700 -0.134 0.000 2.546 218 S HA 0.384 4.853 4.470 -0.001 0.000 0.290 218 S C -0.072 174.538 174.600 0.017 0.000 1.262 218 S CA 0.345 58.553 58.200 0.013 0.000 1.083 218 S CB -0.380 62.917 63.200 0.162 0.000 0.859 218 S HN 0.698 nan 8.310 nan 0.000 0.495 219 R N 2.952 123.470 120.500 0.030 0.000 2.549 219 R HA 0.469 4.808 4.340 -0.001 0.000 0.291 219 R C -1.056 175.253 176.300 0.015 0.000 1.164 219 R CA -0.161 55.962 56.100 0.038 0.000 0.973 219 R CB 1.223 31.576 30.300 0.089 0.000 1.210 219 R HN 0.764 nan 8.270 nan 0.000 0.422 220 T N 1.269 115.833 114.554 0.015 0.000 2.821 220 T HA 0.615 4.964 4.350 -0.001 0.000 0.306 220 T C -0.337 174.381 174.700 0.029 0.000 1.313 220 T CA -1.089 61.007 62.100 -0.007 0.000 1.012 220 T CB 1.261 70.123 68.868 -0.010 0.000 1.298 220 T HN 0.572 nan 8.240 nan 0.000 0.502 221 M N 0.620 120.215 119.600 -0.008 0.000 2.664 221 M HA 0.705 5.185 4.480 -0.001 0.000 0.314 221 M C 0.260 176.544 176.300 -0.027 0.000 1.200 221 M CA -0.796 54.512 55.300 0.013 0.000 0.916 221 M CB 1.909 34.472 32.600 -0.062 0.000 1.717 221 M HN 0.839 nan 8.290 nan 0.000 0.470 222 T N -1.458 113.095 114.554 -0.002 0.000 2.802 222 T HA 0.173 4.522 4.350 -0.001 0.000 0.305 222 T C 0.794 175.457 174.700 -0.063 0.000 1.053 222 T CA -0.349 61.737 62.100 -0.024 0.000 1.058 222 T CB 1.016 69.884 68.868 -0.000 0.000 0.988 222 T HN 0.961 nan 8.240 nan 0.000 0.539 223 K N 0.210 120.574 120.400 -0.059 0.000 2.097 223 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 223 K C 1.950 178.519 176.600 -0.052 0.000 1.049 223 K CA 1.491 57.739 56.287 -0.066 0.000 0.933 223 K CB -0.144 32.327 32.500 -0.049 0.000 0.717 223 K HN 0.656 nan 8.250 nan 0.000 0.442 224 E N 0.704 120.878 120.200 -0.044 0.000 2.031 224 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 224 E C 1.927 178.495 176.600 -0.054 0.000 0.994 224 E CA 1.328 57.703 56.400 -0.042 0.000 0.800 224 E CB -0.282 29.398 29.700 -0.033 0.000 0.752 224 E HN 0.260 nan 8.360 nan 0.000 0.447 225 Q N 0.527 120.284 119.800 -0.071 0.000 2.096 225 Q HA -0.094 4.245 4.340 -0.001 0.000 0.204 225 Q C 1.978 177.902 176.000 -0.126 0.000 0.982 225 Q CA 1.985 57.716 55.803 -0.121 0.000 0.850 225 Q CB -0.569 28.078 28.738 -0.152 0.000 0.901 225 Q HN 0.256 nan 8.270 nan 0.000 0.422 226 A N 0.295 123.065 122.820 -0.083 0.000 1.883 226 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 226 A C 2.308 179.911 177.584 0.033 0.000 1.186 226 A CA 2.162 54.192 52.037 -0.012 0.000 0.624 226 A CB -1.265 17.713 19.000 -0.036 0.000 0.822 226 A HN 0.549 nan 8.150 nan 0.000 0.444 227 A N -0.952 121.885 122.820 0.028 0.000 1.930 227 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 227 A C 2.484 180.120 177.584 0.086 0.000 1.175 227 A CA 2.124 54.209 52.037 0.079 0.000 0.627 227 A CB -0.914 18.085 19.000 -0.002 0.000 0.815 227 A HN 0.622 nan 8.150 nan 0.000 0.443 228 S N -0.896 114.808 115.700 0.007 0.000 2.368 228 S HA -0.142 4.327 4.470 -0.001 0.000 0.225 228 S C 2.018 176.615 174.600 -0.005 0.000 1.030 228 S CA 2.241 60.439 58.200 -0.004 0.000 0.999 228 S CB -0.583 62.585 63.200 -0.054 0.000 0.844 228 S HN 0.571 nan 8.310 nan 0.000 0.459 229 T N 1.715 116.216 114.554 -0.088 0.000 2.904 229 T HA 0.157 4.506 4.350 -0.001 0.000 0.267 229 T C 2.020 176.715 174.700 -0.009 0.000 1.059 229 T CA 1.077 63.095 62.100 -0.137 0.000 1.137 229 T CB -0.516 68.108 68.868 -0.406 0.000 0.879 229 T HN 0.521 nan 8.240 nan 0.000 0.467 230 A N 1.439 124.282 122.820 0.037 0.000 1.898 230 A HA 0.239 4.558 4.320 -0.001 0.000 0.216 230 A C 2.627 180.256 177.584 0.076 0.000 1.181 230 A CA 1.638 53.707 52.037 0.053 0.000 0.620 230 A CB -1.051 18.034 19.000 0.141 0.000 0.819 230 A HN 0.481 nan 8.150 nan 0.000 0.442 231 A N -0.016 122.949 122.820 0.242 0.000 1.877 231 A HA 0.159 4.478 4.320 -0.001 0.000 0.216 231 A C 2.510 180.165 177.584 0.119 0.000 1.186 231 A CA 2.112 54.310 52.037 0.269 0.000 0.620 231 A CB -1.080 18.102 19.000 0.302 0.000 0.822 231 A HN 1.084 nan 8.150 nan 0.000 0.443 232 A N -1.418 121.473 122.820 0.119 0.000 1.940 232 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 232 A C 2.026 179.685 177.584 0.124 0.000 1.176 232 A CA 1.692 53.795 52.037 0.110 0.000 0.631 232 A CB -0.664 18.418 19.000 0.137 0.000 0.814 232 A HN 0.652 nan 8.150 nan 0.000 0.446 233 F N -0.046 119.891 119.950 -0.021 0.000 2.128 233 F HA -0.052 4.474 4.527 -0.001 0.000 0.295 233 F C 1.779 177.527 175.800 -0.087 0.000 1.100 233 F CA 1.286 59.265 58.000 -0.036 0.000 1.260 233 F CB -0.354 38.614 39.000 -0.052 0.000 1.009 233 F HN 0.132 nan 8.300 nan 0.000 0.476 234 L N 0.443 121.574 121.223 -0.154 0.000 2.079 234 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 234 L C 2.518 179.261 176.870 -0.212 0.000 1.081 234 L CA 1.554 56.229 54.840 -0.274 0.000 0.752 234 L CB -1.125 40.768 42.059 -0.276 0.000 0.896 234 L HN 0.176 nan 8.230 nan 0.000 0.433 235 Q N -0.674 119.057 119.800 -0.117 0.000 2.030 235 Q HA -0.154 4.186 4.340 -0.001 0.000 0.204 235 Q C 2.384 178.313 176.000 -0.119 0.000 0.986 235 Q CA 1.690 57.445 55.803 -0.081 0.000 0.843 235 Q CB -0.806 27.915 28.738 -0.027 0.000 0.904 235 Q HN 0.373 nan 8.270 nan 0.000 0.420 236 V N 1.278 121.104 119.914 -0.147 0.000 2.660 236 V HA -0.228 3.891 4.120 -0.001 0.000 0.257 236 V C 2.186 178.152 176.094 -0.214 0.000 1.088 236 V CA 1.342 63.545 62.300 -0.160 0.000 1.106 236 V CB -0.523 31.203 31.823 -0.161 0.000 0.686 236 V HN 0.268 nan 8.190 nan 0.000 0.481 237 L N -0.160 120.884 121.223 -0.297 0.000 2.567 237 L HA 0.323 4.662 4.340 -0.001 0.000 0.225 237 L C 1.758 178.529 176.870 -0.164 0.000 1.119 237 L CA 0.754 55.431 54.840 -0.271 0.000 0.871 237 L CB -0.299 41.527 42.059 -0.387 0.000 1.036 237 L HN 0.511 nan 8.230 nan 0.000 0.459 238 G N 1.303 110.023 108.800 -0.133 0.000 2.160 238 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.251 238 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.251 238 G C 0.132 174.986 174.900 -0.076 0.000 1.008 238 G CA 0.047 45.096 45.100 -0.084 0.000 0.724 238 G HN 0.312 nan 8.290 nan 0.000 0.514 239 I N 0.739 121.246 120.570 -0.105 0.000 2.437 239 I HA 0.477 4.646 4.170 -0.001 0.000 0.298 239 I C 0.291 176.371 176.117 -0.062 0.000 0.984 239 I CA -0.908 60.338 61.300 -0.089 0.000 1.214 239 I CB 1.695 39.614 38.000 -0.136 0.000 1.365 239 I HN 0.418 nan 8.210 nan 0.000 0.469 240 N N 2.826 121.514 118.700 -0.019 0.000 2.577 240 N HA 0.160 4.899 4.740 -0.001 0.000 0.285 240 N C 0.539 176.089 175.510 0.066 0.000 1.309 240 N CA -0.800 52.267 53.050 0.028 0.000 0.798 240 N CB 0.682 39.187 38.487 0.030 0.000 1.463 240 N HN 0.535 nan 8.380 nan 0.000 0.518 241 E N -0.253 120.024 120.200 0.129 0.000 2.253 241 E HA -0.280 4.069 4.350 -0.001 0.000 0.202 241 E C 0.516 177.178 176.600 0.104 0.000 1.014 241 E CA 2.089 58.588 56.400 0.164 0.000 0.823 241 E CB -0.215 29.565 29.700 0.133 0.000 0.736 241 E HN 0.681 nan 8.360 nan 0.000 0.478 242 S N -1.300 114.439 115.700 0.065 0.000 2.540 242 S HA 0.118 4.587 4.470 -0.001 0.000 0.218 242 S C 1.026 175.651 174.600 0.041 0.000 0.977 242 S CA -0.386 57.843 58.200 0.048 0.000 0.918 242 S CB 0.328 63.547 63.200 0.033 0.000 0.806 242 S HN 0.218 nan 8.310 nan 0.000 0.496 243 Q N 0.763 120.587 119.800 0.039 0.000 2.165 243 Q HA 0.415 4.754 4.340 -0.001 0.000 0.245 243 Q C 0.580 176.601 176.000 0.034 0.000 0.841 243 Q CA -0.167 55.654 55.803 0.029 0.000 1.078 243 Q CB 0.194 28.938 28.738 0.010 0.000 1.169 243 Q HN 0.473 nan 8.270 nan 0.000 0.475 244 L N 0.632 121.892 121.223 0.062 0.000 2.651 244 L HA -0.180 4.159 4.340 -0.001 0.000 0.236 244 L C 1.083 178.040 176.870 0.145 0.000 1.173 244 L CA 0.582 55.475 54.840 0.089 0.000 0.843 244 L CB -0.394 41.766 42.059 0.167 0.000 0.964 244 L HN 0.298 nan 8.230 nan 0.000 0.454 245 D N 0.378 120.850 120.400 0.120 0.000 2.097 245 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 245 D C 2.127 178.512 176.300 0.142 0.000 0.984 245 D CA 0.892 54.984 54.000 0.154 0.000 0.826 245 D CB -0.091 40.765 40.800 0.092 0.000 0.973 245 D HN 0.267 nan 8.370 nan 0.000 0.460 246 R N 0.615 121.156 120.500 0.069 0.000 2.200 246 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 246 R C 2.395 178.711 176.300 0.028 0.000 1.127 246 R CA 0.313 56.438 56.100 0.043 0.000 0.989 246 R CB -0.206 30.096 30.300 0.004 0.000 0.869 246 R HN 0.213 nan 8.270 nan 0.000 0.459 247 L N -0.631 120.581 121.223 -0.019 0.000 2.191 247 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 247 L C 1.515 178.340 176.870 -0.074 0.000 1.103 247 L CA 1.048 55.831 54.840 -0.095 0.000 0.769 247 L CB -0.309 41.564 42.059 -0.311 0.000 0.908 247 L HN 0.343 nan 8.230 nan 0.000 0.438 248 H N -1.802 117.376 119.070 0.181 0.000 2.529 248 H HA 0.111 4.666 4.556 -0.001 0.000 0.277 248 H C 1.730 177.130 175.328 0.120 0.000 1.004 248 H CA 1.176 57.324 56.048 0.167 0.000 1.167 248 H CB 0.456 30.305 29.762 0.145 0.000 1.445 248 H HN 0.400 nan 8.280 nan 0.000 0.554 249 T N -3.194 111.463 114.554 0.172 0.000 2.954 249 T HA 0.099 4.448 4.350 -0.001 0.000 0.252 249 T C 0.858 175.613 174.700 0.091 0.000 0.983 249 T CA -0.073 62.102 62.100 0.125 0.000 0.941 249 T CB -0.259 68.669 68.868 0.100 0.000 1.141 249 T HN -0.018 nan 8.240 nan 0.000 0.500 250 V N 3.071 123.031 119.914 0.077 0.000 2.740 250 V HA 0.633 4.752 4.120 -0.001 0.000 0.303 250 V C 0.740 176.881 176.094 0.078 0.000 1.054 250 V CA -0.502 61.832 62.300 0.057 0.000 1.106 250 V CB 0.075 31.916 31.823 0.030 0.000 0.957 250 V HN 0.729 nan 8.190 nan 0.000 0.486 251 A N 5.492 128.353 122.820 0.068 0.000 2.462 251 A HA 0.558 4.877 4.320 -0.001 0.000 0.243 251 A C 1.523 179.180 177.584 0.122 0.000 1.076 251 A CA 0.376 52.464 52.037 0.084 0.000 0.773 251 A CB 0.360 19.397 19.000 0.062 0.000 1.010 251 A HN 1.851 nan 8.150 nan 0.000 0.493 252 A N 1.103 124.026 122.820 0.171 0.000 1.940 252 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 252 A C 1.839 179.588 177.584 0.275 0.000 1.176 252 A CA 2.236 54.467 52.037 0.324 0.000 0.631 252 A CB -0.491 18.678 19.000 0.282 0.000 0.814 252 A HN 0.945 nan 8.150 nan 0.000 0.446 253 E N 0.662 120.955 120.200 0.155 0.000 2.153 253 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 253 E C 1.169 177.824 176.600 0.092 0.000 0.988 253 E CA 1.604 58.072 56.400 0.114 0.000 0.811 253 E CB -0.260 29.480 29.700 0.067 0.000 0.746 253 E HN 0.586 nan 8.360 nan 0.000 0.466 254 D N -0.529 119.916 120.400 0.075 0.000 2.234 254 D HA -0.048 4.591 4.640 -0.001 0.000 0.205 254 D C 1.874 178.194 176.300 0.035 0.000 0.962 254 D CA 0.411 54.434 54.000 0.039 0.000 0.855 254 D CB 0.040 40.850 40.800 0.017 0.000 0.951 254 D HN 0.285 nan 8.370 nan 0.000 0.500 255 L N 0.265 121.523 121.223 0.058 0.000 2.109 255 L HA -0.060 4.279 4.340 -0.001 0.000 0.207 255 L C 2.451 179.363 176.870 0.070 0.000 1.086 255 L CA 0.482 55.353 54.840 0.051 0.000 0.760 255 L CB -0.174 41.809 42.059 -0.126 0.000 0.910 255 L HN 0.004 nan 8.230 nan 0.000 0.437 256 L N -0.474 120.794 121.223 0.076 0.000 2.093 256 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 256 L C 2.596 179.516 176.870 0.083 0.000 1.085 256 L CA 1.270 56.162 54.840 0.087 0.000 0.755 256 L CB -0.371 41.773 42.059 0.141 0.000 0.904 256 L HN 0.205 nan 8.230 nan 0.000 0.435 257 K N 0.043 120.485 120.400 0.071 0.000 2.057 257 K HA -0.126 4.193 4.320 -0.001 0.000 0.206 257 K C 2.253 178.888 176.600 0.057 0.000 1.050 257 K CA 1.310 57.628 56.287 0.051 0.000 0.935 257 K CB -0.233 32.284 32.500 0.029 0.000 0.715 257 K HN 0.256 nan 8.250 nan 0.000 0.439 258 A N 1.579 124.432 122.820 0.055 0.000 1.908 258 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 258 A C 2.364 180.102 177.584 0.257 0.000 1.181 258 A CA 1.984 54.041 52.037 0.034 0.000 0.627 258 A CB -0.721 18.155 19.000 -0.206 0.000 0.818 258 A HN 0.354 nan 8.150 nan 0.000 0.445 259 A N -0.170 122.884 122.820 0.390 0.000 1.877 259 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 259 A C 1.853 179.566 177.584 0.215 0.000 1.186 259 A CA 1.853 54.130 52.037 0.400 0.000 0.620 259 A CB -0.610 18.422 19.000 0.054 0.000 0.822 259 A HN 0.481 nan 8.150 nan 0.000 0.443 260 D N -0.518 119.946 120.400 0.107 0.000 2.144 260 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 260 D C 2.220 178.536 176.300 0.027 0.000 0.984 260 D CA 1.338 55.367 54.000 0.049 0.000 0.834 260 D CB -0.288 40.538 40.800 0.042 0.000 0.955 260 D HN 0.639 nan 8.370 nan 0.000 0.465 261 Q N -0.001 119.824 119.800 0.041 0.000 2.079 261 Q HA -0.126 4.213 4.340 -0.001 0.000 0.200 261 Q C 2.268 178.266 176.000 -0.002 0.000 0.974 261 Q CA 0.565 56.375 55.803 0.012 0.000 0.840 261 Q CB -0.096 28.647 28.738 0.008 0.000 0.898 261 Q HN 0.178 nan 8.270 nan 0.000 0.430 262 L N 0.984 122.238 121.223 0.052 0.000 2.017 262 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 262 L C 2.337 179.079 176.870 -0.214 0.000 1.073 262 L CA 1.749 56.605 54.840 0.026 0.000 0.745 262 L CB -0.357 41.850 42.059 0.246 0.000 0.894 262 L HN -0.016 nan 8.230 nan 0.000 0.432 263 R N -0.375 120.011 120.500 -0.190 0.000 2.096 263 R HA -0.171 4.168 4.340 -0.001 0.000 0.240 263 R C 2.247 178.371 176.300 -0.294 0.000 1.139 263 R CA 2.416 58.315 56.100 -0.336 0.000 0.952 263 R CB -0.487 29.726 30.300 -0.145 0.000 0.854 263 R HN 0.482 nan 8.270 nan 0.000 0.436 264 I N -0.387 120.091 120.570 -0.154 0.000 2.252 264 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 264 I C 2.389 178.440 176.117 -0.110 0.000 1.102 264 I CA 1.112 62.348 61.300 -0.107 0.000 1.385 264 I CB -0.422 37.546 38.000 -0.054 0.000 1.064 264 I HN 0.287 nan 8.210 nan 0.000 0.414 265 A N 0.448 123.206 122.820 -0.103 0.000 1.865 265 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 265 A C 2.021 179.553 177.584 -0.087 0.000 1.191 265 A CA 1.874 53.869 52.037 -0.072 0.000 0.623 265 A CB -0.519 18.457 19.000 -0.039 0.000 0.826 265 A HN 0.327 nan 8.150 nan 0.000 0.444 266 E N -0.373 119.727 120.200 -0.167 0.000 2.445 266 E HA 0.149 4.498 4.350 -0.001 0.000 0.189 266 E C -0.483 176.013 176.600 -0.174 0.000 1.069 266 E CA -0.024 56.300 56.400 -0.126 0.000 0.871 266 E CB -0.434 29.249 29.700 -0.028 0.000 0.991 266 E HN 0.505 nan 8.360 nan 0.000 0.481 267 K N 1.223 121.511 120.400 -0.187 0.000 3.730 267 K HA -0.263 4.057 4.320 -0.001 0.000 0.276 267 K C -0.250 176.249 176.600 -0.169 0.000 0.904 267 K CA 0.488 56.687 56.287 -0.147 0.000 0.741 267 K CB -1.221 31.228 32.500 -0.086 0.000 1.542 267 K HN 0.326 nan 8.250 nan 0.000 0.446 268 E N 2.454 122.492 120.200 -0.271 0.000 2.384 268 E HA -0.006 4.343 4.350 -0.001 0.000 0.266 268 E C 0.057 176.609 176.600 -0.081 0.000 1.012 268 E CA -0.217 56.065 56.400 -0.195 0.000 0.901 268 E CB 0.552 30.068 29.700 -0.307 0.000 0.967 268 E HN 0.473 nan 8.360 nan 0.000 0.435 269 N N 4.199 122.878 118.700 -0.035 0.000 2.380 269 N HA 0.162 4.901 4.740 -0.001 0.000 0.290 269 N C 0.974 176.495 175.510 0.019 0.000 1.236 269 N CA -0.663 52.367 53.050 -0.034 0.000 0.780 269 N CB 0.921 39.261 38.487 -0.246 0.000 1.438 269 N HN 0.461 nan 8.380 nan 0.000 0.491 270 I N -0.238 120.332 120.570 -0.001 0.000 2.399 270 I HA -0.238 3.931 4.170 -0.001 0.000 0.254 270 I C 1.200 177.152 176.117 -0.276 0.000 1.146 270 I CA 1.529 62.712 61.300 -0.195 0.000 1.412 270 I CB -0.441 37.325 38.000 -0.390 0.000 1.076 270 I HN 0.415 nan 8.210 nan 0.000 0.432 271 F N 0.282 120.280 119.950 0.080 0.000 2.661 271 F HA -0.011 4.515 4.527 -0.002 0.000 0.298 271 F C 1.154 176.984 175.800 0.051 0.000 1.137 271 F CA 0.606 58.639 58.000 0.055 0.000 1.454 271 F CB -0.002 39.041 39.000 0.072 0.000 1.103 271 F HN 0.087 nan 8.300 nan 0.000 0.577 272 Q N 1.160 121.038 119.800 0.130 0.000 3.662 272 Q HA 0.257 4.596 4.340 -0.001 0.000 0.237 272 Q C -0.770 175.269 176.000 0.065 0.000 0.895 272 Q CA -0.203 55.609 55.803 0.014 0.000 0.767 272 Q CB 1.194 29.811 28.738 -0.200 0.000 1.469 272 Q HN 0.226 nan 8.270 nan 0.000 0.424 273 L N 0.801 122.082 121.223 0.096 0.000 2.529 273 L HA -0.021 4.318 4.340 -0.001 0.000 0.287 273 L C 0.970 177.924 176.870 0.140 0.000 1.241 273 L CA 0.281 55.215 54.840 0.157 0.000 0.857 273 L CB 0.173 42.347 42.059 0.191 0.000 1.113 273 L HN 0.477 nan 8.230 nan 0.000 0.504 274 F N 0.955 120.833 119.950 -0.120 0.000 2.416 274 F HA 0.086 4.612 4.527 -0.001 0.000 0.296 274 F C 0.726 176.175 175.800 -0.586 0.000 1.099 274 F CA 0.253 58.029 58.000 -0.372 0.000 1.427 274 F CB 0.058 38.759 39.000 -0.499 0.000 1.079 274 F HN 0.129 nan 8.300 nan 0.000 0.536 275 F N 1.030 121.037 119.950 0.095 0.000 2.403 275 F HA 0.467 4.993 4.527 -0.002 0.000 0.355 275 F C -0.053 175.735 175.800 -0.019 0.000 1.119 275 F CA -0.789 57.249 58.000 0.065 0.000 1.007 275 F CB 0.638 39.706 39.000 0.114 0.000 1.194 275 F HN -0.086 nan 8.300 nan 0.000 0.443 276 Q N 2.199 122.002 119.800 0.004 0.000 2.738 276 Q HA 0.574 4.913 4.340 -0.001 0.000 0.301 276 Q C -3.304 172.616 176.000 -0.134 0.000 0.901 276 Q CA -2.556 52.944 55.803 -0.504 0.000 0.756 276 Q CB 1.957 30.512 28.738 -0.304 0.000 1.463 276 Q HN 0.106 nan 8.270 nan 0.000 0.432 277 P HA 0.257 nan 4.420 nan 0.000 0.268 277 P C -1.302 175.955 177.300 -0.072 0.000 1.208 277 P CA 0.291 63.398 63.100 0.011 0.000 0.777 277 P CB 0.570 32.230 31.700 -0.067 0.000 0.875 278 A N 2.376 125.059 122.820 -0.228 0.000 2.475 278 A HA 0.578 4.897 4.320 -0.001 0.000 0.301 278 A C -0.809 176.642 177.584 -0.222 0.000 1.059 278 A CA -0.817 51.018 52.037 -0.337 0.000 0.710 278 A CB 0.803 19.338 19.000 -0.775 0.000 1.288 278 A HN 0.422 nan 8.150 nan 0.000 0.408 279 L N 1.373 122.512 121.223 -0.140 0.000 2.456 279 L HA 0.389 4.729 4.340 -0.001 0.000 0.272 279 L C -0.316 176.497 176.870 -0.094 0.000 1.189 279 L CA 0.350 55.139 54.840 -0.083 0.000 0.846 279 L CB 0.457 42.485 42.059 -0.052 0.000 1.111 279 L HN 0.835 nan 8.230 nan 0.000 0.475 280 D N 2.980 123.346 120.400 -0.056 0.000 2.726 280 D HA 0.238 4.877 4.640 -0.001 0.000 0.203 280 D C -2.241 174.053 176.300 -0.011 0.000 1.297 280 D CA -1.189 52.790 54.000 -0.036 0.000 0.863 280 D CB 2.155 42.934 40.800 -0.035 0.000 1.669 280 D HN -0.007 nan 8.370 nan 0.000 0.561 281 P HA -0.162 nan 4.420 nan 0.000 0.216 281 P C 0.745 178.051 177.300 0.010 0.000 1.154 281 P CA 1.506 64.606 63.100 0.001 0.000 0.865 281 P CB 0.247 31.947 31.700 -0.000 0.000 0.789 282 K N -1.439 118.971 120.400 0.018 0.000 2.288 282 K HA -0.016 4.303 4.320 -0.001 0.000 0.201 282 K C 1.714 178.334 176.600 0.034 0.000 1.048 282 K CA 1.756 58.060 56.287 0.028 0.000 0.956 282 K CB -0.255 32.268 32.500 0.039 0.000 0.746 282 K HN 0.369 nan 8.250 nan 0.000 0.461 283 T N -2.363 112.210 114.554 0.031 0.000 3.232 283 T HA 0.116 4.465 4.350 -0.001 0.000 0.259 283 T C 0.249 174.969 174.700 0.033 0.000 0.987 283 T CA -0.356 61.767 62.100 0.039 0.000 1.096 283 T CB 0.146 69.044 68.868 0.049 0.000 1.131 283 T HN -0.010 nan 8.240 nan 0.000 0.445 284 L N 3.085 124.319 121.223 0.018 0.000 2.457 284 L HA 0.572 4.911 4.340 -0.001 0.000 0.252 284 L C -2.429 174.443 176.870 0.003 0.000 1.132 284 L CA -2.436 52.414 54.840 0.017 0.000 0.938 284 L CB 1.638 43.705 42.059 0.013 0.000 1.246 284 L HN -0.157 nan 8.230 nan 0.000 0.476 285 P HA -0.181 nan 4.420 nan 0.000 0.216 285 P C -0.569 176.729 177.300 -0.003 0.000 1.154 285 P CA 1.379 64.479 63.100 -0.000 0.000 0.865 285 P CB 0.257 31.958 31.700 0.001 0.000 0.789 286 E N -2.531 117.671 120.200 0.004 0.000 2.447 286 E HA 0.270 4.620 4.350 -0.001 0.000 0.279 286 E C -1.183 175.429 176.600 0.019 0.000 1.053 286 E CA -1.023 55.380 56.400 0.005 0.000 0.840 286 E CB 0.565 30.266 29.700 0.001 0.000 1.409 286 E HN -0.141 nan 8.360 nan 0.000 0.461 287 E N 1.424 121.637 120.200 0.020 0.000 2.558 287 E HA -0.030 4.319 4.350 -0.001 0.000 0.255 287 E C -1.831 174.814 176.600 0.074 0.000 0.968 287 E CA -0.755 55.669 56.400 0.041 0.000 0.939 287 E CB 0.341 30.059 29.700 0.032 0.000 0.921 287 E HN 0.316 nan 8.360 nan 0.000 0.477 288 P HA -0.283 nan 4.420 nan 0.000 0.216 288 P C 1.188 178.626 177.300 0.230 0.000 1.157 288 P CA 1.352 64.578 63.100 0.210 0.000 0.880 288 P CB 0.204 32.071 31.700 0.278 0.000 0.791 289 E N -0.194 120.160 120.200 0.256 0.000 2.097 289 E HA -0.302 4.047 4.350 -0.001 0.000 0.196 289 E C 1.984 178.594 176.600 0.016 0.000 1.000 289 E CA 1.534 58.022 56.400 0.147 0.000 0.804 289 E CB -0.195 29.617 29.700 0.187 0.000 0.740 289 E HN -0.069 nan 8.360 nan 0.000 0.454 290 K N 0.468 120.888 120.400 0.033 0.000 2.025 290 K HA -0.037 4.282 4.320 -0.001 0.000 0.207 290 K C 2.122 178.705 176.600 -0.028 0.000 1.049 290 K CA 1.968 58.257 56.287 0.003 0.000 0.933 290 K CB -0.490 32.015 32.500 0.009 0.000 0.714 290 K HN 0.006 nan 8.250 nan 0.000 0.438 291 S N 0.489 116.177 115.700 -0.021 0.000 2.359 291 S HA -0.119 4.350 4.470 -0.001 0.000 0.224 291 S C 1.824 176.351 174.600 -0.121 0.000 1.035 291 S CA 1.421 59.590 58.200 -0.052 0.000 1.018 291 S CB -0.362 62.829 63.200 -0.015 0.000 0.876 291 S HN 0.214 nan 8.310 nan 0.000 0.448 292 I N 1.989 122.474 120.570 -0.142 0.000 2.286 292 I HA -0.119 4.050 4.170 -0.001 0.000 0.248 292 I C 2.394 178.367 176.117 -0.239 0.000 1.115 292 I CA 0.732 61.880 61.300 -0.253 0.000 1.392 292 I CB -0.836 36.875 38.000 -0.481 0.000 1.065 292 I HN 0.248 nan 8.210 nan 0.000 0.418 293 A N -0.447 122.296 122.820 -0.130 0.000 2.121 293 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 293 A C 1.936 179.515 177.584 -0.008 0.000 1.154 293 A CA 1.135 53.176 52.037 0.007 0.000 0.679 293 A CB -0.373 18.634 19.000 0.011 0.000 0.795 293 A HN 0.370 nan 8.150 nan 0.000 0.458 294 E N -1.254 118.849 120.200 -0.161 0.000 2.479 294 E HA 0.191 4.541 4.350 -0.001 0.000 0.193 294 E C 1.164 177.481 176.600 -0.473 0.000 1.049 294 E CA 0.646 56.938 56.400 -0.180 0.000 0.870 294 E CB -0.017 29.611 29.700 -0.120 0.000 0.944 294 E HN 0.765 nan 8.360 nan 0.000 0.492 295 G N 1.171 109.376 108.800 -0.990 0.000 2.141 295 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.231 295 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.231 295 G C 1.197 175.750 174.900 -0.578 0.000 0.984 295 G CA 0.531 44.757 45.100 -1.457 0.000 0.660 295 G HN 0.416 nan 8.290 nan 0.000 0.525 296 A N -0.289 122.314 122.820 -0.360 0.000 2.084 296 A HA 0.396 4.715 4.320 -0.001 0.000 0.221 296 A C 2.165 179.664 177.584 -0.142 0.000 1.161 296 A CA 2.221 54.145 52.037 -0.190 0.000 0.653 296 A CB -0.214 18.715 19.000 -0.119 0.000 0.802 296 A HN 1.982 nan 8.150 nan 0.000 0.457 297 A N -0.591 122.137 122.820 -0.153 0.000 2.793 297 A HA 0.539 4.859 4.320 -0.001 0.000 0.301 297 A C 0.644 178.208 177.584 -0.034 0.000 1.172 297 A CA 0.301 52.303 52.037 -0.058 0.000 0.973 297 A CB -0.512 18.500 19.000 0.020 0.000 1.164 297 A HN 0.301 nan 8.150 nan 0.000 0.542 298 S N -0.195 115.465 115.700 -0.068 0.000 2.552 298 S HA 0.388 4.857 4.470 -0.001 0.000 0.289 298 S C 1.573 176.200 174.600 0.045 0.000 1.304 298 S CA 1.305 59.525 58.200 0.033 0.000 1.063 298 S CB 0.168 63.388 63.200 0.034 0.000 0.848 298 S HN 1.979 nan 8.310 nan 0.000 0.499 299 G N 3.749 112.594 108.800 0.075 0.000 2.184 299 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.264 299 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.264 299 G C 0.132 175.066 174.900 0.057 0.000 0.975 299 G CA 0.387 45.519 45.100 0.053 0.000 0.642 299 G HN 0.746 nan 8.290 nan 0.000 0.536 300 I N 2.242 122.858 120.570 0.076 0.000 2.306 300 I HA 0.277 4.446 4.170 -0.001 0.000 0.288 300 I C -2.083 174.130 176.117 0.159 0.000 1.036 300 I CA -2.309 59.060 61.300 0.115 0.000 1.221 300 I CB 1.589 39.674 38.000 0.141 0.000 1.385 300 I HN -0.149 nan 8.210 nan 0.000 0.472 301 P HA 0.090 nan 4.420 nan 0.000 0.266 301 P C -0.975 176.593 177.300 0.447 0.000 1.195 301 P CA -0.153 63.121 63.100 0.290 0.000 0.768 301 P CB 0.655 32.536 31.700 0.301 0.000 0.838 302 L N 4.315 125.744 121.223 0.344 0.000 2.409 302 L HA 0.583 4.922 4.340 -0.001 0.000 0.272 302 L C -1.693 175.165 176.870 -0.022 0.000 0.980 302 L CA -0.845 54.119 54.840 0.208 0.000 0.826 302 L CB 1.778 43.928 42.059 0.152 0.000 1.268 302 L HN 0.103 nan 8.230 nan 0.000 0.407 303 L N 6.809 127.810 121.223 -0.369 0.000 2.280 303 L HA 0.724 5.063 4.340 -0.001 0.000 0.287 303 L C -1.170 175.528 176.870 -0.287 0.000 1.023 303 L CA -0.056 54.422 54.840 -0.604 0.000 0.819 303 L CB 1.119 42.324 42.059 -1.423 0.000 1.212 303 L HN 0.718 nan 8.230 nan 0.000 0.420 304 I N 3.949 124.421 120.570 -0.163 0.000 2.802 304 I HA 0.909 5.078 4.170 -0.001 0.000 0.298 304 I C -0.460 175.405 176.117 -0.420 0.000 1.176 304 I CA -0.076 61.130 61.300 -0.157 0.000 1.025 304 I CB 2.145 40.083 38.000 -0.103 0.000 1.243 304 I HN 0.730 nan 8.210 nan 0.000 0.424 305 G N 3.022 111.462 108.800 -0.600 0.000 2.554 305 G HA2 0.657 4.616 3.960 -0.001 0.000 0.306 305 G HA3 0.657 4.616 3.960 -0.001 0.000 0.306 305 G C -1.289 173.392 174.900 -0.363 0.000 1.320 305 G CA 0.105 44.544 45.100 -1.102 0.000 0.800 305 G HN 0.770 nan 8.290 nan 0.000 0.481 306 T N -2.996 111.490 114.554 -0.113 0.000 2.787 306 T HA 0.754 5.103 4.350 -0.001 0.000 0.297 306 T C -0.112 174.818 174.700 0.383 0.000 1.221 306 T CA 0.133 62.373 62.100 0.232 0.000 1.006 306 T CB 1.310 70.375 68.868 0.330 0.000 1.328 306 T HN 1.523 nan 8.240 nan 0.000 0.509 307 T N -1.444 113.317 114.554 0.345 0.000 2.902 307 T HA 0.453 4.802 4.350 -0.001 0.000 0.283 307 T C 1.161 176.072 174.700 0.352 0.000 1.009 307 T CA -0.905 61.435 62.100 0.401 0.000 1.051 307 T CB 1.802 70.866 68.868 0.327 0.000 0.999 307 T HN 0.875 nan 8.240 nan 0.000 0.474 308 R N 0.681 121.373 120.500 0.321 0.000 2.105 308 R HA -0.092 4.247 4.340 -0.001 0.000 0.239 308 R C 0.090 176.549 176.300 0.265 0.000 1.135 308 R CA 1.666 57.912 56.100 0.243 0.000 0.967 308 R CB -0.088 30.315 30.300 0.171 0.000 0.861 308 R HN 0.704 nan 8.270 nan 0.000 0.442 309 D N 0.546 121.130 120.400 0.306 0.000 2.772 309 D HA 0.033 4.672 4.640 -0.001 0.000 0.272 309 D C 0.510 177.136 176.300 0.543 0.000 1.314 309 D CA -0.144 54.099 54.000 0.405 0.000 0.835 309 D CB 0.687 41.612 40.800 0.209 0.000 1.080 309 D HN 0.202 nan 8.370 nan 0.000 0.482 310 E N 1.104 121.569 120.200 0.443 0.000 2.119 310 E HA -0.250 4.099 4.350 -0.001 0.000 0.221 310 E C 2.099 179.051 176.600 0.587 0.000 1.062 310 E CA 1.752 58.391 56.400 0.398 0.000 0.894 310 E CB -0.525 29.289 29.700 0.190 0.000 0.785 310 E HN 0.417 nan 8.360 nan 0.000 0.472 311 G N 0.327 109.484 108.800 0.595 0.000 2.507 311 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.221 311 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.221 311 G C 1.230 176.422 174.900 0.486 0.000 1.119 311 G CA 1.140 46.588 45.100 0.580 0.000 0.751 311 G HN 0.282 nan 8.290 nan 0.000 0.574 312 Y N -0.772 119.765 120.300 0.395 0.000 2.716 312 Y HA 0.039 4.588 4.550 -0.002 0.000 0.302 312 Y C 2.031 178.002 175.900 0.118 0.000 1.160 312 Y CA 0.475 58.725 58.100 0.250 0.000 1.362 312 Y CB -0.380 38.210 38.460 0.217 0.000 0.988 312 Y HN 0.316 nan 8.280 nan 0.000 0.546 313 F N -1.474 118.540 119.950 0.106 0.000 2.473 313 F HA 0.010 4.536 4.527 -0.001 0.000 0.294 313 F C 1.158 176.675 175.800 -0.471 0.000 1.103 313 F CA 0.803 58.634 58.000 -0.283 0.000 1.442 313 F CB -0.267 38.574 39.000 -0.266 0.000 1.097 313 F HN -0.072 nan 8.300 nan 0.000 0.547 314 F N -0.879 118.974 119.950 -0.161 0.000 2.698 314 F HA 0.246 4.772 4.527 -0.002 0.000 0.295 314 F C -0.165 175.092 175.800 -0.906 0.000 1.124 314 F CA 0.097 57.759 58.000 -0.563 0.000 1.426 314 F CB -0.201 38.449 39.000 -0.583 0.000 1.120 314 F HN -0.293 nan 8.300 nan 0.000 0.583 315 F N -0.102 119.832 119.950 -0.027 0.000 2.557 315 F HA 0.387 4.913 4.527 -0.001 0.000 0.316 315 F C 0.370 176.086 175.800 -0.141 0.000 1.141 315 F CA -1.429 56.505 58.000 -0.110 0.000 0.922 315 F CB 1.372 40.283 39.000 -0.149 0.000 1.194 315 F HN -0.310 nan 8.300 nan 0.000 0.443 316 T N -0.676 113.902 114.554 0.040 0.000 2.847 316 T HA 0.327 4.676 4.350 -0.001 0.000 0.279 316 T C -2.133 172.563 174.700 -0.006 0.000 0.984 316 T CA -2.050 60.035 62.100 -0.026 0.000 0.988 316 T CB 1.573 70.402 68.868 -0.065 0.000 1.040 316 T HN 0.253 nan 8.240 nan 0.000 0.528 317 P HA 0.024 nan 4.420 nan 0.000 0.226 317 P C 0.398 177.681 177.300 -0.029 0.000 1.146 317 P CA 0.817 63.902 63.100 -0.024 0.000 0.773 317 P CB 0.063 31.749 31.700 -0.023 0.000 0.772 318 D N -1.950 118.435 120.400 -0.025 0.000 2.424 318 D HA 0.105 4.744 4.640 -0.001 0.000 0.220 318 D C 0.015 176.308 176.300 -0.011 0.000 1.150 318 D CA 0.209 54.197 54.000 -0.021 0.000 0.831 318 D CB 0.231 41.018 40.800 -0.021 0.000 0.981 318 D HN 0.071 nan 8.370 nan 0.000 0.500 319 S N 1.113 116.812 115.700 -0.001 0.000 2.565 319 S HA 0.088 4.557 4.470 -0.001 0.000 0.276 319 S C 0.159 174.740 174.600 -0.032 0.000 1.326 319 S CA -0.474 57.745 58.200 0.031 0.000 1.045 319 S CB 1.323 64.619 63.200 0.160 0.000 0.918 319 S HN 0.060 nan 8.310 nan 0.000 0.505 320 D N 1.395 121.792 120.400 -0.005 0.000 2.423 320 D HA 0.176 4.816 4.640 -0.001 0.000 0.238 320 D C -0.439 175.784 176.300 -0.128 0.000 1.142 320 D CA 0.308 54.295 54.000 -0.022 0.000 0.884 320 D CB 0.511 41.340 40.800 0.049 0.000 1.199 320 D HN 0.124 nan 8.370 nan 0.000 0.438 321 V N 3.942 123.792 119.914 -0.106 0.000 2.370 321 V HA 0.153 4.272 4.120 -0.001 0.000 0.279 321 V C -0.072 176.024 176.094 0.003 0.000 1.029 321 V CA -0.677 61.522 62.300 -0.167 0.000 0.870 321 V CB 0.213 31.964 31.823 -0.119 0.000 0.984 321 V HN 0.467 nan 8.190 nan 0.000 0.451 322 Y N 2.737 123.001 120.300 -0.060 0.000 2.788 322 Y HA 0.039 4.589 4.550 -0.002 0.000 0.341 322 Y C 1.522 177.416 175.900 -0.009 0.000 1.258 322 Y CA -0.156 57.941 58.100 -0.005 0.000 1.503 322 Y CB 0.645 39.129 38.460 0.039 0.000 1.325 322 Y HN 0.794 nan 8.280 nan 0.000 0.614 323 S N 1.505 117.304 115.700 0.164 0.000 2.608 323 S HA -0.006 4.463 4.470 -0.001 0.000 0.261 323 S C 0.808 175.446 174.600 0.062 0.000 1.314 323 S CA -0.901 57.346 58.200 0.079 0.000 0.992 323 S CB 1.295 64.522 63.200 0.045 0.000 0.935 323 S HN 0.695 nan 8.310 nan 0.000 0.564 324 Q N 0.539 120.361 119.800 0.037 0.000 2.084 324 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 324 Q C 2.065 178.073 176.000 0.013 0.000 0.978 324 Q CA 1.940 57.758 55.803 0.025 0.000 0.844 324 Q CB -0.701 28.048 28.738 0.018 0.000 0.898 324 Q HN 0.937 nan 8.270 nan 0.000 0.426 325 E N -0.053 120.152 120.200 0.008 0.000 2.049 325 E HA -0.169 4.180 4.350 -0.001 0.000 0.198 325 E C 1.902 178.493 176.600 -0.016 0.000 1.007 325 E CA 2.442 58.840 56.400 -0.003 0.000 0.809 325 E CB -0.263 29.435 29.700 -0.004 0.000 0.749 325 E HN 0.516 nan 8.360 nan 0.000 0.450 326 T N -1.450 113.092 114.554 -0.021 0.000 2.821 326 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 326 T C 1.862 176.534 174.700 -0.048 0.000 1.046 326 T CA 1.009 63.075 62.100 -0.056 0.000 1.139 326 T CB -0.351 68.444 68.868 -0.121 0.000 0.871 326 T HN 0.067 nan 8.240 nan 0.000 0.454 327 L N 2.004 123.222 121.223 -0.009 0.000 2.027 327 L HA 0.011 4.350 4.340 -0.001 0.000 0.206 327 L C 2.295 179.110 176.870 -0.091 0.000 1.074 327 L CA 1.727 56.541 54.840 -0.043 0.000 0.745 327 L CB -0.819 41.246 42.059 0.009 0.000 0.898 327 L HN 0.226 nan 8.230 nan 0.000 0.433 328 D N -0.606 119.768 120.400 -0.044 0.000 2.117 328 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 328 D C 2.182 178.457 176.300 -0.040 0.000 0.987 328 D CA 1.449 55.428 54.000 -0.035 0.000 0.829 328 D CB -0.135 40.657 40.800 -0.013 0.000 0.961 328 D HN 0.365 nan 8.370 nan 0.000 0.460 329 A N 1.108 123.906 122.820 -0.036 0.000 1.933 329 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 329 A C 2.305 179.883 177.584 -0.010 0.000 1.175 329 A CA 2.156 54.182 52.037 -0.019 0.000 0.628 329 A CB -0.550 18.435 19.000 -0.026 0.000 0.814 329 A HN 0.251 nan 8.150 nan 0.000 0.444 330 A N -0.194 122.578 122.820 -0.081 0.000 1.854 330 A HA 0.025 4.345 4.320 -0.001 0.000 0.214 330 A C 2.147 179.641 177.584 -0.149 0.000 1.192 330 A CA 1.350 53.304 52.037 -0.138 0.000 0.611 330 A CB -0.673 18.036 19.000 -0.485 0.000 0.832 330 A HN 0.441 nan 8.150 nan 0.000 0.442 331 L N -0.490 120.605 121.223 -0.213 0.000 2.042 331 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 331 L C 2.705 179.532 176.870 -0.072 0.000 1.076 331 L CA 2.021 56.764 54.840 -0.161 0.000 0.749 331 L CB -0.494 41.496 42.059 -0.115 0.000 0.893 331 L HN 0.691 nan 8.230 nan 0.000 0.432 332 E N -0.413 119.769 120.200 -0.029 0.000 2.106 332 E HA -0.288 4.061 4.350 -0.001 0.000 0.192 332 E C 2.231 178.843 176.600 0.019 0.000 0.984 332 E CA 1.193 57.592 56.400 -0.002 0.000 0.806 332 E CB -0.225 29.485 29.700 0.015 0.000 0.750 332 E HN 0.479 nan 8.360 nan 0.000 0.458 333 Y N 1.055 121.320 120.300 -0.059 0.000 2.242 333 Y HA -0.090 4.459 4.550 -0.002 0.000 0.291 333 Y C 1.742 177.618 175.900 -0.040 0.000 1.137 333 Y CA 1.443 59.517 58.100 -0.043 0.000 1.181 333 Y CB -0.038 38.401 38.460 -0.034 0.000 0.989 333 Y HN 0.038 nan 8.280 nan 0.000 0.527 334 L N -0.875 120.235 121.223 -0.188 0.000 2.095 334 L HA -0.097 4.242 4.340 -0.001 0.000 0.204 334 L C 1.836 178.586 176.870 -0.200 0.000 1.080 334 L CA 1.016 55.709 54.840 -0.245 0.000 0.759 334 L CB -0.281 41.714 42.059 -0.107 0.000 0.914 334 L HN 0.200 nan 8.230 nan 0.000 0.439 335 L N -1.118 120.025 121.223 -0.133 0.000 2.638 335 L HA 0.389 4.728 4.340 -0.001 0.000 0.232 335 L C 0.681 177.505 176.870 -0.078 0.000 1.099 335 L CA 0.041 54.821 54.840 -0.099 0.000 0.883 335 L CB 0.223 42.243 42.059 -0.065 0.000 1.136 335 L HN 0.318 nan 8.230 nan 0.000 0.492 336 G N 0.721 109.475 108.800 -0.076 0.000 2.705 336 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.686 336 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.686 336 G C 0.224 175.109 174.900 -0.025 0.000 1.285 336 G CA -0.260 44.811 45.100 -0.048 0.000 0.800 336 G HN 0.078 nan 8.290 nan 0.000 0.611 337 K N 1.419 121.812 120.400 -0.012 0.000 2.032 337 K HA -0.198 4.121 4.320 -0.001 0.000 0.218 337 K C -0.176 176.422 176.600 -0.003 0.000 1.054 337 K CA 2.407 58.691 56.287 -0.004 0.000 0.941 337 K CB -0.750 31.749 32.500 -0.001 0.000 0.720 337 K HN 0.423 nan 8.250 nan 0.000 0.449 338 P HA -0.191 nan 4.420 nan 0.000 0.212 338 P C 1.540 178.841 177.300 0.003 0.000 1.178 338 P CA 1.184 64.285 63.100 0.001 0.000 0.915 338 P CB 0.018 31.719 31.700 0.002 0.000 0.788 339 L N -1.287 119.934 121.223 -0.002 0.000 2.083 339 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 339 L C 2.285 179.159 176.870 0.008 0.000 1.083 339 L CA 1.564 56.403 54.840 -0.001 0.000 0.752 339 L CB -0.879 41.170 42.059 -0.016 0.000 0.899 339 L HN -0.050 nan 8.230 nan 0.000 0.433 340 A N -0.043 122.778 122.820 0.001 0.000 1.892 340 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 340 A C 2.030 179.628 177.584 0.023 0.000 1.188 340 A CA 2.030 54.072 52.037 0.009 0.000 0.631 340 A CB -0.511 18.485 19.000 -0.007 0.000 0.822 340 A HN 0.547 nan 8.150 nan 0.000 0.447 341 E N -0.193 120.015 120.200 0.014 0.000 2.047 341 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 341 E C 2.087 178.698 176.600 0.018 0.000 0.987 341 E CA 1.331 57.740 56.400 0.015 0.000 0.799 341 E CB -0.198 29.508 29.700 0.010 0.000 0.752 341 E HN 0.606 nan 8.360 nan 0.000 0.449 342 K N 0.518 120.928 120.400 0.016 0.000 2.063 342 K HA -0.116 4.203 4.320 -0.001 0.000 0.208 342 K C 2.035 178.644 176.600 0.015 0.000 1.048 342 K CA 1.260 57.556 56.287 0.014 0.000 0.928 342 K CB 0.003 32.512 32.500 0.015 0.000 0.713 342 K HN 0.014 nan 8.250 nan 0.000 0.442 343 V N 0.810 120.743 119.914 0.032 0.000 3.406 343 V HA 0.002 4.121 4.120 -0.001 0.000 0.263 343 V C 2.077 178.206 176.094 0.058 0.000 1.172 343 V CA 0.938 63.263 62.300 0.042 0.000 1.140 343 V CB -0.045 31.845 31.823 0.112 0.000 0.784 343 V HN 0.263 nan 8.190 nan 0.000 0.467 344 A N 0.843 123.703 122.820 0.067 0.000 1.971 344 A HA -0.378 3.941 4.320 -0.001 0.000 0.222 344 A C 2.060 179.667 177.584 0.040 0.000 1.182 344 A CA 2.453 54.537 52.037 0.078 0.000 0.649 344 A CB -0.653 18.372 19.000 0.043 0.000 0.818 344 A HN 0.576 nan 8.150 nan 0.000 0.458 345 D N -0.055 120.340 120.400 -0.008 0.000 2.123 345 D HA -0.155 4.484 4.640 -0.001 0.000 0.196 345 D C 1.782 178.016 176.300 -0.111 0.000 0.992 345 D CA 1.454 55.429 54.000 -0.042 0.000 0.833 345 D CB -0.355 40.420 40.800 -0.042 0.000 0.954 345 D HN 0.474 nan 8.370 nan 0.000 0.455 346 L N -1.035 120.048 121.223 -0.233 0.000 2.127 346 L HA -0.152 4.187 4.340 -0.001 0.000 0.211 346 L C 0.565 177.054 176.870 -0.636 0.000 1.089 346 L CA 0.852 55.381 54.840 -0.519 0.000 0.757 346 L CB -0.239 41.306 42.059 -0.856 0.000 0.899 346 L HN 0.124 nan 8.230 nan 0.000 0.434 347 Y N -0.284 120.031 120.300 0.024 0.000 2.836 347 Y HA 0.292 4.841 4.550 -0.001 0.000 0.359 347 Y C -2.057 173.850 175.900 0.012 0.000 1.060 347 Y CA -2.782 55.336 58.100 0.030 0.000 1.161 347 Y CB -0.146 38.325 38.460 0.019 0.000 1.225 347 Y HN -0.028 nan 8.280 nan 0.000 0.621 348 P HA 0.027 nan 4.420 nan 0.000 0.276 348 P C 0.096 177.431 177.300 0.059 0.000 1.253 348 P CA -0.349 62.786 63.100 0.058 0.000 0.766 348 P CB 0.916 32.633 31.700 0.028 0.000 0.845 349 R N 3.380 123.908 120.500 0.046 0.000 2.478 349 R HA 0.028 4.367 4.340 -0.001 0.000 0.277 349 R C -0.193 176.110 176.300 0.005 0.000 0.913 349 R CA 1.542 57.658 56.100 0.026 0.000 1.125 349 R CB -0.272 30.039 30.300 0.019 0.000 0.863 349 R HN 0.879 nan 8.270 nan 0.000 0.426 350 S N 1.898 117.582 115.700 -0.026 0.000 2.708 350 S HA -0.061 4.408 4.470 -0.001 0.000 0.274 350 S C -0.027 174.496 174.600 -0.128 0.000 0.927 350 S CA -0.568 57.597 58.200 -0.058 0.000 1.002 350 S CB 0.069 63.251 63.200 -0.030 0.000 1.265 350 S HN 0.456 nan 8.310 nan 0.000 0.457 351 L N 1.595 122.720 121.223 -0.163 0.000 2.046 351 L HA 0.100 4.439 4.340 -0.001 0.000 0.208 351 L C 2.513 179.215 176.870 -0.281 0.000 1.077 351 L CA 2.645 57.327 54.840 -0.264 0.000 0.747 351 L CB -0.826 41.105 42.059 -0.212 0.000 0.896 351 L HN 0.962 nan 8.230 nan 0.000 0.432 352 E N -0.837 119.239 120.200 -0.207 0.000 2.033 352 E HA -0.254 4.095 4.350 -0.001 0.000 0.199 352 E C 2.074 178.479 176.600 -0.324 0.000 1.011 352 E CA 1.885 58.114 56.400 -0.286 0.000 0.815 352 E CB -0.156 29.483 29.700 -0.102 0.000 0.755 352 E HN 0.587 nan 8.360 nan 0.000 0.451 353 S N 0.467 116.136 115.700 -0.051 0.000 2.383 353 S HA -0.245 4.224 4.470 -0.001 0.000 0.229 353 S C 1.920 176.566 174.600 0.075 0.000 1.030 353 S CA 1.471 59.768 58.200 0.161 0.000 1.002 353 S CB -0.337 62.984 63.200 0.203 0.000 0.829 353 S HN 0.348 nan 8.310 nan 0.000 0.467 354 Q N 0.746 120.494 119.800 -0.087 0.000 2.030 354 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 354 Q C 2.067 178.039 176.000 -0.046 0.000 0.986 354 Q CA 1.636 57.362 55.803 -0.129 0.000 0.843 354 Q CB -0.261 28.184 28.738 -0.487 0.000 0.904 354 Q HN 0.529 nan 8.270 nan 0.000 0.420 355 I N 0.112 120.570 120.570 -0.187 0.000 2.226 355 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 355 I C 2.111 178.289 176.117 0.102 0.000 1.100 355 I CA 1.021 62.277 61.300 -0.074 0.000 1.374 355 I CB -0.406 37.342 38.000 -0.419 0.000 1.057 355 I HN 0.354 nan 8.210 nan 0.000 0.413 356 H N 0.010 119.166 119.070 0.145 0.000 2.457 356 H HA -0.060 4.495 4.556 -0.002 0.000 0.294 356 H C 2.241 177.707 175.328 0.231 0.000 1.064 356 H CA 1.125 57.322 56.048 0.248 0.000 1.330 356 H CB -0.261 29.692 29.762 0.319 0.000 1.395 356 H HN 0.376 nan 8.280 nan 0.000 0.541 357 M N -0.519 119.194 119.600 0.188 0.000 2.200 357 M HA -0.116 4.364 4.480 -0.001 0.000 0.265 357 M C 2.310 178.780 176.300 0.284 0.000 1.066 357 M CA 0.743 56.006 55.300 -0.062 0.000 1.127 357 M CB 0.132 32.611 32.600 -0.202 0.000 1.379 357 M HN 0.019 nan 8.290 nan 0.000 0.420 358 V N 0.000 120.144 119.914 0.384 0.000 2.244 358 V HA -0.249 3.870 4.120 -0.001 0.000 0.244 358 V C 2.292 178.639 176.094 0.421 0.000 1.042 358 V CA 2.338 64.825 62.300 0.310 0.000 1.006 358 V CB -1.014 30.928 31.823 0.198 0.000 0.641 358 V HN 0.476 nan 8.190 nan 0.000 0.446 359 T N -0.178 114.663 114.554 0.479 0.000 2.684 359 T HA -0.215 4.134 4.350 -0.001 0.000 0.267 359 T C 1.619 176.629 174.700 0.517 0.000 1.036 359 T CA 1.887 64.316 62.100 0.548 0.000 1.148 359 T CB -0.384 68.770 68.868 0.477 0.000 0.863 359 T HN 0.466 nan 8.240 nan 0.000 0.436 360 D N 0.812 121.460 120.400 0.414 0.000 2.123 360 D HA 0.070 4.709 4.640 -0.001 0.000 0.200 360 D C 2.060 178.579 176.300 0.365 0.000 0.976 360 D CA 0.793 55.043 54.000 0.416 0.000 0.831 360 D CB -0.165 40.860 40.800 0.375 0.000 0.974 360 D HN 0.332 nan 8.370 nan 0.000 0.469 361 L N -0.574 120.784 121.223 0.224 0.000 2.408 361 L HA 0.100 4.439 4.340 -0.001 0.000 0.215 361 L C 1.589 178.497 176.870 0.063 0.000 1.081 361 L CA 0.109 55.020 54.840 0.117 0.000 0.840 361 L CB 0.228 42.296 42.059 0.016 0.000 1.002 361 L HN -0.026 nan 8.230 nan 0.000 0.468 362 L N -1.506 119.732 121.223 0.025 0.000 2.416 362 L HA 0.138 4.477 4.340 -0.001 0.000 0.216 362 L C 1.445 177.932 176.870 -0.638 0.000 1.098 362 L CA 1.631 56.278 54.840 -0.321 0.000 0.840 362 L CB -0.075 41.687 42.059 -0.496 0.000 0.981 362 L HN 0.067 nan 8.230 nan 0.000 0.462 363 F N -4.554 115.514 119.950 0.195 0.000 2.347 363 F HA 0.023 4.550 4.527 -0.002 0.000 0.266 363 F C 1.864 177.816 175.800 0.254 0.000 0.884 363 F CA -0.202 57.929 58.000 0.218 0.000 1.123 363 F CB -0.656 38.505 39.000 0.269 0.000 1.098 363 F HN -0.093 nan 8.300 nan 0.000 0.803 364 W N 2.366 123.878 121.300 0.352 0.000 2.354 364 W HA -0.090 4.569 4.660 -0.001 0.000 0.315 364 W C 2.729 179.393 176.519 0.241 0.000 1.206 364 W CA 2.179 59.684 57.345 0.267 0.000 1.290 364 W CB -0.260 29.354 29.460 0.257 0.000 1.152 364 W HN -0.135 nan 8.180 nan 0.000 0.489 365 R N -0.173 120.510 120.500 0.305 0.000 2.081 365 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 365 R C -0.567 175.794 176.300 0.102 0.000 1.131 365 R CA 2.065 58.236 56.100 0.119 0.000 0.960 365 R CB -1.471 28.882 30.300 0.089 0.000 0.856 365 R HN 0.104 nan 8.270 nan 0.000 0.436 366 P HA -0.045 nan 4.420 nan 0.000 0.217 366 P C 0.694 178.047 177.300 0.088 0.000 1.150 366 P CA 1.753 64.908 63.100 0.092 0.000 0.832 366 P CB -0.002 31.723 31.700 0.043 0.000 0.787 367 A N -0.527 122.307 122.820 0.022 0.000 1.877 367 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 367 A C 2.298 179.813 177.584 -0.116 0.000 1.186 367 A CA 1.832 53.847 52.037 -0.036 0.000 0.620 367 A CB -1.701 17.260 19.000 -0.065 0.000 0.822 367 A HN 0.015 nan 8.150 nan 0.000 0.443 368 V N -0.107 119.642 119.914 -0.275 0.000 2.427 368 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 368 V C 3.016 179.023 176.094 -0.145 0.000 1.051 368 V CA 1.830 63.934 62.300 -0.327 0.000 1.048 368 V CB -1.214 30.262 31.823 -0.579 0.000 0.666 368 V HN 0.612 nan 8.190 nan 0.000 0.456 369 A N -0.767 122.072 122.820 0.032 0.000 1.933 369 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 369 A C 2.095 179.734 177.584 0.093 0.000 1.175 369 A CA 1.789 53.887 52.037 0.102 0.000 0.628 369 A CB -0.623 18.548 19.000 0.285 0.000 0.814 369 A HN 0.480 nan 8.150 nan 0.000 0.444 370 F N 0.402 120.341 119.950 -0.017 0.000 2.128 370 F HA 0.055 4.581 4.527 -0.002 0.000 0.295 370 F C 2.623 178.407 175.800 -0.028 0.000 1.100 370 F CA 0.984 58.979 58.000 -0.008 0.000 1.260 370 F CB -0.319 38.675 39.000 -0.010 0.000 1.009 370 F HN 0.247 nan 8.300 nan 0.000 0.476 371 A N -0.783 122.080 122.820 0.072 0.000 1.877 371 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 371 A C 2.360 179.950 177.584 0.009 0.000 1.186 371 A CA 2.107 54.114 52.037 -0.049 0.000 0.620 371 A CB -1.229 17.569 19.000 -0.336 0.000 0.822 371 A HN 0.381 nan 8.150 nan 0.000 0.443 372 S N -0.147 115.576 115.700 0.037 0.000 2.359 372 S HA -0.080 4.389 4.470 -0.001 0.000 0.224 372 S C 2.326 176.932 174.600 0.010 0.000 1.035 372 S CA 1.320 59.547 58.200 0.046 0.000 1.018 372 S CB -0.517 62.663 63.200 -0.033 0.000 0.876 372 S HN 0.811 nan 8.310 nan 0.000 0.448 373 A N 1.090 123.913 122.820 0.003 0.000 1.877 373 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 373 A C 2.101 179.733 177.584 0.080 0.000 1.186 373 A CA 1.891 53.963 52.037 0.059 0.000 0.620 373 A CB -0.753 18.194 19.000 -0.087 0.000 0.822 373 A HN 0.451 nan 8.150 nan 0.000 0.443 374 Q N 0.786 120.539 119.800 -0.079 0.000 2.224 374 Q HA -0.107 4.232 4.340 -0.001 0.000 0.203 374 Q C 1.959 177.959 176.000 0.000 0.000 0.970 374 Q CA 1.878 57.667 55.803 -0.024 0.000 0.865 374 Q CB -0.555 28.125 28.738 -0.095 0.000 0.922 374 Q HN 0.733 nan 8.270 nan 0.000 0.445 375 S N -1.045 114.589 115.700 -0.110 0.000 2.500 375 S HA -0.159 4.310 4.470 -0.001 0.000 0.239 375 S C 1.093 175.462 174.600 -0.385 0.000 0.989 375 S CA 0.964 59.023 58.200 -0.235 0.000 0.951 375 S CB -0.481 62.565 63.200 -0.258 0.000 0.759 375 S HN 0.524 nan 8.310 nan 0.000 0.523 376 H N -0.890 118.098 119.070 -0.137 0.000 2.551 376 H HA 0.252 4.807 4.556 -0.002 0.000 0.271 376 H C 0.062 174.981 175.328 -0.681 0.000 0.984 376 H CA 0.408 56.214 56.048 -0.403 0.000 1.164 376 H CB 0.110 29.564 29.762 -0.513 0.000 1.437 376 H HN 0.632 nan 8.280 nan 0.000 0.550 377 Y N -0.965 119.336 120.300 0.003 0.000 2.590 377 Y HA 0.532 5.081 4.550 -0.002 0.000 0.263 377 Y C 0.754 176.638 175.900 -0.027 0.000 1.069 377 Y CA 0.042 58.137 58.100 -0.009 0.000 1.242 377 Y CB 1.287 39.741 38.460 -0.009 0.000 1.357 377 Y HN 0.115 nan 8.280 nan 0.000 0.556 378 A N -0.344 122.514 122.820 0.064 0.000 2.586 378 A HA 0.691 5.010 4.320 -0.001 0.000 0.290 378 A C -3.155 174.390 177.584 -0.066 0.000 1.086 378 A CA -1.550 50.501 52.037 0.024 0.000 0.665 378 A CB 0.551 19.591 19.000 0.068 0.000 1.279 378 A HN -0.191 nan 8.150 nan 0.000 0.423 379 P HA 0.464 nan 4.420 nan 0.000 0.276 379 P C -0.984 176.066 177.300 -0.417 0.000 1.230 379 P CA -0.045 62.875 63.100 -0.300 0.000 0.776 379 P CB 1.022 32.611 31.700 -0.186 0.000 0.888 380 V N 3.752 123.288 119.914 -0.630 0.000 2.656 380 V HA 0.499 4.619 4.120 -0.001 0.000 0.307 380 V C -1.103 174.606 176.094 -0.642 0.000 1.051 380 V CA -0.433 61.590 62.300 -0.460 0.000 0.893 380 V CB 1.767 33.505 31.823 -0.140 0.000 0.999 380 V HN 0.561 nan 8.190 nan 0.000 0.426 381 W N 4.443 125.683 121.300 -0.101 0.000 2.683 381 W HA 0.805 5.464 4.660 -0.002 0.000 0.329 381 W C -0.282 176.211 176.519 -0.043 0.000 1.037 381 W CA -0.491 56.764 57.345 -0.150 0.000 1.232 381 W CB 1.733 30.723 29.460 -0.784 0.000 1.390 381 W HN 0.415 nan 8.180 nan 0.000 0.465 382 M N 4.366 124.251 119.600 0.474 0.000 2.535 382 M HA 0.613 5.092 4.480 -0.001 0.000 0.314 382 M C -1.310 175.320 176.300 0.549 0.000 1.153 382 M CA -0.838 54.596 55.300 0.224 0.000 0.924 382 M CB 2.009 34.426 32.600 -0.305 0.000 1.710 382 M HN 0.516 nan 8.290 nan 0.000 0.451 383 Y N 0.459 121.002 120.300 0.404 0.000 2.644 383 Y HA 0.792 5.341 4.550 -0.002 0.000 0.338 383 Y C -1.769 174.308 175.900 0.294 0.000 1.119 383 Y CA -1.424 56.895 58.100 0.366 0.000 1.060 383 Y CB 1.310 40.092 38.460 0.536 0.000 1.294 383 Y HN 0.743 nan 8.280 nan 0.000 0.472 384 R N 2.195 123.010 120.500 0.524 0.000 2.538 384 R HA 0.459 4.798 4.340 -0.001 0.000 0.292 384 R C -2.354 174.251 176.300 0.509 0.000 1.008 384 R CA -0.775 55.598 56.100 0.455 0.000 0.896 384 R CB 1.369 31.849 30.300 0.301 0.000 1.187 384 R HN 0.817 nan 8.270 nan 0.000 0.440 385 F N 4.613 124.796 119.950 0.390 0.000 2.390 385 F HA 0.262 4.788 4.527 -0.001 0.000 0.361 385 F C 0.056 175.942 175.800 0.143 0.000 1.124 385 F CA -0.140 57.985 58.000 0.208 0.000 1.149 385 F CB 1.124 40.231 39.000 0.179 0.000 1.160 385 F HN 0.634 nan 8.300 nan 0.000 0.501 386 D N 4.294 124.525 120.400 -0.282 0.000 2.392 386 D HA -0.045 4.595 4.640 -0.001 0.000 0.206 386 D C -0.109 175.973 176.300 -0.363 0.000 1.046 386 D CA 0.296 54.178 54.000 -0.197 0.000 0.865 386 D CB -0.161 40.561 40.800 -0.130 0.000 0.969 386 D HN 0.581 nan 8.370 nan 0.000 0.509 387 W N 2.826 123.560 121.300 -0.943 0.000 2.231 387 W HA 0.189 4.848 4.660 -0.001 0.000 0.341 387 W C 0.140 176.456 176.519 -0.337 0.000 1.298 387 W CA 0.891 57.780 57.345 -0.760 0.000 1.266 387 W CB 0.176 29.050 29.460 -0.976 0.000 1.172 387 W HN 0.144 nan 8.180 nan 0.000 0.568 388 H N 2.215 120.440 119.070 -1.407 0.000 3.043 388 H HA 0.418 4.973 4.556 -0.002 0.000 0.317 388 H C -2.960 171.615 175.328 -1.255 0.000 1.321 388 H CA -2.228 53.059 56.048 -1.267 0.000 1.243 388 H CB 0.227 29.709 29.762 -0.467 0.000 1.924 388 H HN 0.108 nan 8.280 nan 0.000 0.527 389 P HA 0.032 nan 4.420 nan 0.000 0.267 389 P C 0.588 177.880 177.300 -0.012 0.000 1.200 389 P CA 0.049 62.994 63.100 -0.259 0.000 0.772 389 P CB 0.953 32.638 31.700 -0.025 0.000 0.855 390 E N 1.950 122.129 120.200 -0.034 0.000 2.076 390 E HA -0.110 4.239 4.350 -0.001 0.000 0.190 390 E C 0.687 177.311 176.600 0.041 0.000 0.979 390 E CA 0.699 57.112 56.400 0.022 0.000 0.807 390 E CB 0.121 29.810 29.700 -0.019 0.000 0.761 390 E HN 0.163 nan 8.360 nan 0.000 0.454 391 K N 1.601 122.021 120.400 0.034 0.000 2.185 391 K HA 0.207 4.526 4.320 -0.001 0.000 0.271 391 K C -2.490 174.133 176.600 0.039 0.000 1.013 391 K CA -2.033 54.274 56.287 0.032 0.000 0.943 391 K CB 0.850 33.372 32.500 0.037 0.000 0.998 391 K HN -0.095 nan 8.250 nan 0.000 0.468 392 P HA 0.051 nan 4.420 nan 0.000 0.271 392 P C -2.096 175.217 177.300 0.022 0.000 1.244 392 P CA -0.751 62.343 63.100 -0.010 0.000 0.793 392 P CB 0.186 31.867 31.700 -0.031 0.000 0.984 393 P HA 0.064 nan 4.420 nan 0.000 0.261 393 P C -0.194 176.927 177.300 -0.299 0.000 1.268 393 P CA 0.756 63.731 63.100 -0.209 0.000 0.833 393 P CB 0.199 31.707 31.700 -0.320 0.000 1.231 394 Y N 1.590 121.913 120.300 0.038 0.000 2.718 394 Y HA 0.135 4.684 4.550 -0.001 0.000 0.322 394 Y C 1.247 177.178 175.900 0.051 0.000 1.122 394 Y CA -0.647 57.525 58.100 0.119 0.000 1.348 394 Y CB -0.563 38.020 38.460 0.206 0.000 1.174 394 Y HN 0.028 nan 8.280 nan 0.000 0.523 395 N N 0.949 119.639 118.700 -0.016 0.000 3.259 395 N HA 0.076 4.815 4.740 -0.001 0.000 0.308 395 N C -0.810 174.201 175.510 -0.833 0.000 1.334 395 N CA -0.016 52.857 53.050 -0.295 0.000 1.202 395 N CB 0.043 38.422 38.487 -0.180 0.000 1.485 395 N HN 0.043 nan 8.380 nan 0.000 0.549 396 K N 0.082 120.151 120.400 -0.551 0.000 2.543 396 K HA 0.352 4.671 4.320 -0.001 0.000 0.255 396 K C -1.111 175.496 176.600 0.011 0.000 0.934 396 K CA -0.578 55.454 56.287 -0.426 0.000 0.810 396 K CB 2.238 34.590 32.500 -0.246 0.000 1.315 396 K HN 0.203 nan 8.250 nan 0.000 0.433 397 A N 3.863 126.750 122.820 0.112 0.000 2.990 397 A HA 0.365 4.684 4.320 -0.001 0.000 0.282 397 A C -0.040 177.694 177.584 0.250 0.000 1.688 397 A CA -0.367 51.797 52.037 0.211 0.000 1.391 397 A CB -1.313 17.848 19.000 0.269 0.000 1.112 397 A HN 0.497 nan 8.150 nan 0.000 0.588 398 F N -0.380 119.746 119.950 0.294 0.000 2.370 398 F HA 0.558 5.084 4.527 -0.001 0.000 0.319 398 F C 0.574 176.489 175.800 0.192 0.000 1.129 398 F CA -1.563 56.619 58.000 0.304 0.000 1.109 398 F CB 0.030 39.249 39.000 0.365 0.000 1.262 398 F HN 0.481 nan 8.300 nan 0.000 0.534 399 H N 0.769 119.998 119.070 0.265 0.000 3.140 399 H HA 0.146 4.701 4.556 -0.002 0.000 0.316 399 H C 0.722 175.855 175.328 -0.326 0.000 0.986 399 H CA 1.673 57.624 56.048 -0.161 0.000 1.397 399 H CB 0.233 29.784 29.762 -0.352 0.000 1.377 399 H HN 0.831 nan 8.280 nan 0.000 0.585 400 T N 2.475 116.635 114.554 -0.657 0.000 7.177 400 T HA -0.258 4.092 4.350 -0.001 0.000 0.291 400 T C 1.397 175.941 174.700 -0.259 0.000 2.134 400 T CA 0.912 62.726 62.100 -0.477 0.000 3.572 400 T CB -1.312 67.256 68.868 -0.500 0.000 1.288 400 T HN 0.437 nan 8.240 nan 0.000 0.869 401 L N 2.533 123.579 121.223 -0.296 0.000 2.187 401 L HA -0.018 4.321 4.340 -0.001 0.000 0.213 401 L C 2.414 179.138 176.870 -0.243 0.000 1.100 401 L CA 2.672 57.357 54.840 -0.259 0.000 0.765 401 L CB -0.370 41.442 42.059 -0.412 0.000 0.904 401 L HN 0.581 nan 8.230 nan 0.000 0.437 402 E N -0.777 119.028 120.200 -0.658 0.000 2.358 402 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 402 E C 2.064 178.509 176.600 -0.258 0.000 1.010 402 E CA 0.660 56.520 56.400 -0.900 0.000 0.856 402 E CB -0.570 28.327 29.700 -1.337 0.000 0.795 402 E HN 0.556 nan 8.360 nan 0.000 0.504 403 L N 0.714 121.849 121.223 -0.147 0.000 2.013 403 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 403 L C -0.303 176.544 176.870 -0.039 0.000 1.073 403 L CA 1.895 56.720 54.840 -0.025 0.000 0.753 403 L CB -1.757 40.307 42.059 0.009 0.000 0.890 403 L HN 0.174 nan 8.230 nan 0.000 0.432 404 P HA -0.160 nan 4.420 nan 0.000 0.218 404 P C 1.419 178.520 177.300 -0.332 0.000 1.149 404 P CA 1.434 64.377 63.100 -0.262 0.000 0.817 404 P CB -0.013 31.460 31.700 -0.378 0.000 0.785 405 F N -1.187 118.602 119.950 -0.269 0.000 2.146 405 F HA -0.135 4.391 4.527 -0.002 0.000 0.298 405 F C 2.360 177.940 175.800 -0.366 0.000 1.096 405 F CA 1.009 58.823 58.000 -0.309 0.000 1.275 405 F CB -1.610 37.198 39.000 -0.321 0.000 1.008 405 F HN -0.279 nan 8.300 nan 0.000 0.480 406 V N -0.609 119.156 119.914 -0.249 0.000 2.255 406 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 406 V C 2.044 177.885 176.094 -0.421 0.000 1.051 406 V CA 1.882 63.879 62.300 -0.505 0.000 1.018 406 V CB -0.714 30.809 31.823 -0.500 0.000 0.641 406 V HN 0.211 nan 8.190 nan 0.000 0.445 407 F N 0.385 120.158 119.950 -0.295 0.000 2.710 407 F HA 0.315 4.841 4.527 -0.002 0.000 0.298 407 F C 1.952 177.600 175.800 -0.253 0.000 1.137 407 F CA 0.908 58.746 58.000 -0.271 0.000 1.444 407 F CB -0.355 38.456 39.000 -0.314 0.000 1.111 407 F HN 0.308 nan 8.300 nan 0.000 0.580 408 G N 0.219 108.943 108.800 -0.126 0.000 2.155 408 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.257 408 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.257 408 G C 0.170 174.967 174.900 -0.171 0.000 0.983 408 G CA 0.093 45.093 45.100 -0.165 0.000 0.676 408 G HN 0.319 nan 8.290 nan 0.000 0.528 409 N N 0.852 119.447 118.700 -0.174 0.000 3.229 409 N HA 0.324 5.063 4.740 -0.001 0.000 0.275 409 N C 1.787 177.144 175.510 -0.255 0.000 1.225 409 N CA -0.189 52.740 53.050 -0.201 0.000 1.119 409 N CB 0.340 38.693 38.487 -0.224 0.000 1.392 409 N HN 0.373 nan 8.380 nan 0.000 0.520 410 L N -0.452 120.607 121.223 -0.274 0.000 2.450 410 L HA -0.106 4.233 4.340 -0.001 0.000 0.224 410 L C 1.138 177.861 176.870 -0.245 0.000 1.149 410 L CA 0.767 55.411 54.840 -0.327 0.000 0.816 410 L CB -0.085 41.772 42.059 -0.336 0.000 0.932 410 L HN 0.125 nan 8.230 nan 0.000 0.449 411 D N 0.108 120.391 120.400 -0.196 0.000 2.264 411 D HA -0.137 4.502 4.640 -0.001 0.000 0.208 411 D C 1.997 178.200 176.300 -0.161 0.000 0.966 411 D CA 0.771 54.677 54.000 -0.156 0.000 0.864 411 D CB 0.067 40.786 40.800 -0.135 0.000 0.933 411 D HN 0.331 nan 8.370 nan 0.000 0.499 412 E N 0.496 120.578 120.200 -0.198 0.000 2.268 412 E HA -0.053 4.296 4.350 -0.001 0.000 0.195 412 E C 2.269 178.777 176.600 -0.152 0.000 0.995 412 E CA 0.030 56.315 56.400 -0.192 0.000 0.836 412 E CB -0.096 29.457 29.700 -0.245 0.000 0.763 412 E HN 0.403 nan 8.360 nan 0.000 0.491 413 L N 0.785 121.910 121.223 -0.163 0.000 2.353 413 L HA -0.164 4.175 4.340 -0.001 0.000 0.220 413 L C 2.041 178.868 176.870 -0.072 0.000 1.133 413 L CA 0.838 55.617 54.840 -0.102 0.000 0.798 413 L CB -0.238 41.741 42.059 -0.133 0.000 0.922 413 L HN 0.120 nan 8.230 nan 0.000 0.445 414 E N 0.315 120.461 120.200 -0.090 0.000 2.047 414 E HA -0.227 4.122 4.350 -0.001 0.000 0.191 414 E C 2.193 178.737 176.600 -0.094 0.000 0.987 414 E CA 1.263 57.615 56.400 -0.080 0.000 0.799 414 E CB -0.105 29.552 29.700 -0.072 0.000 0.752 414 E HN 0.540 nan 8.360 nan 0.000 0.449 415 R N 0.647 121.094 120.500 -0.087 0.000 2.119 415 R HA 0.027 4.366 4.340 -0.001 0.000 0.222 415 R C 2.098 178.356 176.300 -0.070 0.000 1.088 415 R CA 1.083 57.139 56.100 -0.073 0.000 0.984 415 R CB -0.241 30.019 30.300 -0.065 0.000 0.884 415 R HN 0.125 nan 8.270 nan 0.000 0.447 416 M N 0.387 119.956 119.600 -0.051 0.000 2.236 416 M HA 0.100 4.580 4.480 -0.001 0.000 0.266 416 M C 1.293 177.577 176.300 -0.027 0.000 1.070 416 M CA 1.792 57.122 55.300 0.051 0.000 1.137 416 M CB 0.381 33.049 32.600 0.113 0.000 1.378 416 M HN 0.424 nan 8.290 nan 0.000 0.426 417 A N -0.836 121.842 122.820 -0.237 0.000 2.538 417 A HA 0.254 4.573 4.320 -0.001 0.000 0.276 417 A C 0.174 177.435 177.584 -0.540 0.000 0.908 417 A CA -0.400 51.274 52.037 -0.605 0.000 1.042 417 A CB 0.043 19.081 19.000 0.063 0.000 1.218 417 A HN 0.342 nan 8.150 nan 0.000 0.517 418 K N -0.310 119.863 120.400 -0.379 0.000 3.078 418 K HA -0.230 4.090 4.320 -0.001 0.000 0.261 418 K C 0.299 176.881 176.600 -0.030 0.000 0.947 418 K CA 0.651 56.848 56.287 -0.150 0.000 0.702 418 K CB -1.656 30.791 32.500 -0.088 0.000 1.318 418 K HN 0.963 nan 8.250 nan 0.000 0.473 419 A N 1.324 124.154 122.820 0.016 0.000 2.305 419 A HA 0.369 4.688 4.320 -0.001 0.000 0.322 419 A C 0.076 177.706 177.584 0.077 0.000 1.187 419 A CA -0.690 51.419 52.037 0.119 0.000 0.825 419 A CB 0.622 19.809 19.000 0.312 0.000 1.164 419 A HN 0.296 nan 8.150 nan 0.000 0.498 420 E N 1.228 121.476 120.200 0.080 0.000 2.349 420 E HA 0.262 4.611 4.350 -0.001 0.000 0.265 420 E C -0.671 175.945 176.600 0.026 0.000 1.064 420 E CA -0.283 56.138 56.400 0.035 0.000 0.886 420 E CB 1.073 30.793 29.700 0.034 0.000 1.036 420 E HN 0.587 nan 8.360 nan 0.000 0.413 421 I N 3.158 123.713 120.570 -0.025 0.000 2.278 421 I HA 0.010 4.179 4.170 -0.001 0.000 0.300 421 I C 0.722 176.820 176.117 -0.032 0.000 1.174 421 I CA -0.240 61.023 61.300 -0.061 0.000 1.347 421 I CB -0.881 37.061 38.000 -0.096 0.000 1.473 421 I HN 0.453 nan 8.210 nan 0.000 0.595 422 T N -0.506 114.048 114.554 0.001 0.000 2.824 422 T HA 0.182 4.531 4.350 -0.001 0.000 0.277 422 T C 0.931 175.626 174.700 -0.009 0.000 0.975 422 T CA -0.762 61.346 62.100 0.013 0.000 0.966 422 T CB 1.543 70.445 68.868 0.058 0.000 1.054 422 T HN 0.357 nan 8.240 nan 0.000 0.533 423 D N -0.218 120.178 120.400 -0.006 0.000 2.219 423 D HA -0.080 4.559 4.640 -0.001 0.000 0.205 423 D C 1.759 178.051 176.300 -0.014 0.000 0.970 423 D CA 0.968 54.956 54.000 -0.020 0.000 0.851 423 D CB -0.064 40.724 40.800 -0.020 0.000 0.943 423 D HN 0.813 nan 8.370 nan 0.000 0.488 424 E N 0.448 120.656 120.200 0.013 0.000 2.047 424 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 424 E C 2.122 178.721 176.600 -0.002 0.000 0.987 424 E CA 0.657 57.074 56.400 0.027 0.000 0.799 424 E CB 0.223 29.977 29.700 0.090 0.000 0.752 424 E HN -0.038 nan 8.360 nan 0.000 0.449 425 V N 1.325 121.234 119.914 -0.009 0.000 2.295 425 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 425 V C 2.183 178.231 176.094 -0.077 0.000 1.049 425 V CA 2.008 64.262 62.300 -0.077 0.000 1.024 425 V CB -0.402 31.328 31.823 -0.155 0.000 0.648 425 V HN 0.238 nan 8.190 nan 0.000 0.447 426 K N -0.285 120.064 120.400 -0.086 0.000 2.147 426 K HA -0.253 4.067 4.320 -0.001 0.000 0.205 426 K C 2.231 178.819 176.600 -0.019 0.000 1.049 426 K CA 1.546 57.786 56.287 -0.078 0.000 0.936 426 K CB -0.156 32.300 32.500 -0.073 0.000 0.722 426 K HN 0.362 nan 8.250 nan 0.000 0.446 427 Q N 1.292 121.082 119.800 -0.016 0.000 2.083 427 Q HA -0.105 4.234 4.340 -0.001 0.000 0.198 427 Q C 1.905 177.928 176.000 0.037 0.000 0.969 427 Q CA 1.071 56.874 55.803 0.001 0.000 0.838 427 Q CB -0.179 28.544 28.738 -0.025 0.000 0.900 427 Q HN 0.210 nan 8.270 nan 0.000 0.436 428 L N -0.059 121.169 121.223 0.008 0.000 2.056 428 L HA -0.045 4.294 4.340 -0.001 0.000 0.207 428 L C 2.278 179.187 176.870 0.065 0.000 1.078 428 L CA 2.251 57.073 54.840 -0.030 0.000 0.749 428 L CB -1.204 40.725 42.059 -0.217 0.000 0.901 428 L HN 0.304 nan 8.230 nan 0.000 0.433 429 S N -1.508 114.305 115.700 0.187 0.000 2.368 429 S HA -0.273 4.197 4.470 -0.001 0.000 0.225 429 S C 2.246 176.840 174.600 -0.010 0.000 1.030 429 S CA 1.248 59.510 58.200 0.103 0.000 0.999 429 S CB -0.644 62.512 63.200 -0.074 0.000 0.844 429 S HN 0.759 nan 8.310 nan 0.000 0.459 430 H N 0.412 119.448 119.070 -0.057 0.000 2.353 430 H HA -0.059 4.496 4.556 -0.001 0.000 0.300 430 H C 1.951 177.254 175.328 -0.041 0.000 1.090 430 H CA 2.015 58.030 56.048 -0.056 0.000 1.327 430 H CB -0.651 29.083 29.762 -0.046 0.000 1.383 430 H HN 0.410 nan 8.280 nan 0.000 0.508 431 T N 1.369 115.954 114.554 0.052 0.000 2.777 431 T HA -0.060 4.289 4.350 -0.001 0.000 0.266 431 T C 2.364 177.046 174.700 -0.030 0.000 1.040 431 T CA 1.251 63.366 62.100 0.024 0.000 1.141 431 T CB -0.098 68.802 68.868 0.053 0.000 0.868 431 T HN 0.279 nan 8.240 nan 0.000 0.444 432 I N 0.809 121.317 120.570 -0.103 0.000 2.202 432 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 432 I C 2.854 178.806 176.117 -0.275 0.000 1.091 432 I CA 1.245 62.396 61.300 -0.248 0.000 1.368 432 I CB -0.365 37.348 38.000 -0.478 0.000 1.058 432 I HN 0.269 nan 8.210 nan 0.000 0.410 433 Q N -0.187 119.445 119.800 -0.280 0.000 2.124 433 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 433 Q C 2.403 178.329 176.000 -0.122 0.000 0.977 433 Q CA 1.746 57.407 55.803 -0.237 0.000 0.850 433 Q CB -0.177 28.418 28.738 -0.238 0.000 0.901 433 Q HN 0.367 nan 8.270 nan 0.000 0.429 434 S N 0.022 115.615 115.700 -0.178 0.000 2.368 434 S HA -0.137 4.333 4.470 -0.001 0.000 0.225 434 S C 1.925 176.533 174.600 0.014 0.000 1.030 434 S CA 1.097 59.211 58.200 -0.143 0.000 0.999 434 S CB -0.076 62.973 63.200 -0.253 0.000 0.844 434 S HN 0.470 nan 8.310 nan 0.000 0.459 435 A N 0.379 123.277 122.820 0.130 0.000 1.929 435 A HA 0.003 4.322 4.320 -0.001 0.000 0.216 435 A C 2.063 179.794 177.584 0.245 0.000 1.176 435 A CA 0.802 52.976 52.037 0.228 0.000 0.628 435 A CB -0.955 18.314 19.000 0.448 0.000 0.816 435 A HN 0.801 nan 8.150 nan 0.000 0.444 436 W N 0.779 122.016 121.300 -0.104 0.000 2.358 436 W HA -0.182 4.477 4.660 -0.001 0.000 0.303 436 W C 2.713 179.173 176.519 -0.099 0.000 1.208 436 W CA 1.730 59.005 57.345 -0.117 0.000 1.274 436 W CB -0.326 29.032 29.460 -0.170 0.000 1.138 436 W HN 0.576 nan 8.180 nan 0.000 0.515 437 T N -3.753 110.867 114.554 0.109 0.000 2.942 437 T HA -0.099 4.250 4.350 -0.001 0.000 0.265 437 T C 1.467 176.155 174.700 -0.019 0.000 1.062 437 T CA 1.607 63.704 62.100 -0.004 0.000 1.139 437 T CB -0.649 68.196 68.868 -0.039 0.000 0.883 437 T HN -0.165 nan 8.240 nan 0.000 0.468 438 T N 1.392 115.945 114.554 -0.001 0.000 2.857 438 T HA 0.105 4.455 4.350 -0.001 0.000 0.266 438 T C 1.256 175.922 174.700 -0.057 0.000 1.048 438 T CA 0.910 62.992 62.100 -0.031 0.000 1.139 438 T CB -0.511 68.342 68.868 -0.024 0.000 0.874 438 T HN 0.434 nan 8.240 nan 0.000 0.455 439 F N 2.456 122.281 119.950 -0.208 0.000 2.102 439 F HA 0.048 4.574 4.527 -0.001 0.000 0.298 439 F C 2.402 178.093 175.800 -0.181 0.000 1.105 439 F CA 0.975 58.809 58.000 -0.276 0.000 1.239 439 F CB -0.687 38.066 39.000 -0.410 0.000 0.991 439 F HN 0.131 nan 8.300 nan 0.000 0.474 440 A N 0.177 122.871 122.820 -0.209 0.000 1.972 440 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 440 A C 2.200 179.641 177.584 -0.238 0.000 1.169 440 A CA 1.863 53.736 52.037 -0.274 0.000 0.635 440 A CB -0.617 18.291 19.000 -0.153 0.000 0.810 440 A HN 0.518 nan 8.150 nan 0.000 0.446 441 K N -1.282 119.015 120.400 -0.173 0.000 2.137 441 K HA -0.027 4.292 4.320 -0.001 0.000 0.202 441 K C 1.796 178.314 176.600 -0.136 0.000 1.052 441 K CA 1.573 57.786 56.287 -0.122 0.000 0.961 441 K CB 0.016 32.471 32.500 -0.075 0.000 0.741 441 K HN 0.663 nan 8.250 nan 0.000 0.452 442 T N -4.647 109.803 114.554 -0.173 0.000 2.975 442 T HA 0.238 4.587 4.350 -0.001 0.000 0.261 442 T C 1.270 175.870 174.700 -0.167 0.000 0.984 442 T CA 0.373 62.392 62.100 -0.135 0.000 0.911 442 T CB 1.049 69.867 68.868 -0.083 0.000 1.127 442 T HN 0.251 nan 8.240 nan 0.000 0.514 443 G N 1.637 110.223 108.800 -0.356 0.000 2.141 443 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.242 443 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.242 443 G C -0.178 174.778 174.900 0.093 0.000 0.982 443 G CA 0.069 44.959 45.100 -0.349 0.000 0.662 443 G HN 0.841 nan 8.290 nan 0.000 0.527 444 N N -0.109 118.535 118.700 -0.094 0.000 2.430 444 N HA 0.454 5.193 4.740 -0.001 0.000 0.290 444 N C -2.250 172.963 175.510 -0.494 0.000 1.063 444 N CA -1.617 51.156 53.050 -0.462 0.000 0.883 444 N CB 2.563 40.906 38.487 -0.240 0.000 1.465 444 N HN -0.029 nan 8.380 nan 0.000 0.493 445 P HA 0.087 nan 4.420 nan 0.000 0.253 445 P C -0.297 176.909 177.300 -0.157 0.000 1.260 445 P CA -0.009 62.792 63.100 -0.497 0.000 0.800 445 P CB 0.123 31.238 31.700 -0.977 0.000 1.162 446 S N 0.614 116.208 115.700 -0.178 0.000 2.549 446 S HA 0.327 4.796 4.470 -0.001 0.000 0.283 446 S C 0.830 175.450 174.600 0.034 0.000 1.320 446 S CA 0.318 58.532 58.200 0.023 0.000 1.058 446 S CB 0.138 63.342 63.200 0.007 0.000 0.882 446 S HN 0.366 nan 8.310 nan 0.000 0.498 447 T N -1.173 113.427 114.554 0.077 0.000 2.841 447 T HA 0.385 4.734 4.350 -0.001 0.000 0.296 447 T C 0.976 175.714 174.700 0.063 0.000 1.166 447 T CA -0.912 61.223 62.100 0.059 0.000 1.007 447 T CB 1.175 70.080 68.868 0.062 0.000 1.253 447 T HN 0.563 nan 8.240 nan 0.000 0.511 448 E N 0.795 121.030 120.200 0.057 0.000 2.187 448 E HA -0.230 4.120 4.350 -0.001 0.000 0.199 448 E C 1.967 178.600 176.600 0.054 0.000 1.004 448 E CA 1.541 57.972 56.400 0.053 0.000 0.813 448 E CB -0.540 29.191 29.700 0.052 0.000 0.736 448 E HN 0.709 nan 8.360 nan 0.000 0.468 449 A N 0.981 123.841 122.820 0.068 0.000 2.016 449 A HA 0.158 4.477 4.320 -0.001 0.000 0.217 449 A C 0.858 178.467 177.584 0.041 0.000 1.162 449 A CA 0.806 52.879 52.037 0.060 0.000 0.662 449 A CB 0.401 19.453 19.000 0.087 0.000 0.812 449 A HN 0.136 nan 8.150 nan 0.000 0.450 450 V N -0.037 119.912 119.914 0.058 0.000 2.817 450 V HA 0.227 4.346 4.120 -0.001 0.000 0.303 450 V C -1.324 174.822 176.094 0.087 0.000 1.151 450 V CA -0.924 61.402 62.300 0.043 0.000 0.929 450 V CB 1.810 33.644 31.823 0.017 0.000 1.030 450 V HN 0.400 nan 8.190 nan 0.000 0.427 451 N N 4.007 122.749 118.700 0.071 0.000 2.558 451 N HA 0.179 4.919 4.740 -0.001 0.000 0.233 451 N C -0.651 174.963 175.510 0.175 0.000 1.038 451 N CA -0.401 52.719 53.050 0.116 0.000 0.934 451 N CB 0.506 39.049 38.487 0.093 0.000 1.175 451 N HN 0.719 nan 8.380 nan 0.000 0.512 452 W N 6.682 128.005 121.300 0.038 0.000 2.446 452 W HA 0.242 4.901 4.660 -0.001 0.000 0.316 452 W C -2.230 174.462 176.519 0.288 0.000 1.376 452 W CA -1.701 55.710 57.345 0.111 0.000 1.300 452 W CB 0.525 29.966 29.460 -0.031 0.000 1.351 452 W HN 0.429 nan 8.180 nan 0.000 0.530 453 P HA 0.226 nan 4.420 nan 0.000 0.284 453 P C -0.707 176.981 177.300 0.646 0.000 1.253 453 P CA -0.271 63.132 63.100 0.505 0.000 0.800 453 P CB 1.154 33.014 31.700 0.267 0.000 0.961 454 A N 3.562 126.621 122.820 0.399 0.000 2.477 454 A HA 0.109 4.428 4.320 -0.001 0.000 0.246 454 A C -0.511 177.099 177.584 0.044 0.000 1.078 454 A CA -0.136 51.901 52.037 -0.001 0.000 0.770 454 A CB -0.511 18.398 19.000 -0.152 0.000 1.011 454 A HN 0.610 nan 8.150 nan 0.000 0.494 455 Y N 5.102 125.321 120.300 -0.135 0.000 2.350 455 Y HA 0.457 5.006 4.550 -0.002 0.000 0.340 455 Y C 0.534 176.335 175.900 -0.165 0.000 1.006 455 Y CA 0.158 58.177 58.100 -0.136 0.000 1.166 455 Y CB 0.409 38.834 38.460 -0.059 0.000 1.168 455 Y HN 0.800 nan 8.280 nan 0.000 0.502 456 H N 2.973 121.706 119.070 -0.561 0.000 3.012 456 H HA 0.292 4.847 4.556 -0.001 0.000 0.367 456 H C -0.251 174.744 175.328 -0.556 0.000 1.211 456 H CA -0.857 54.914 56.048 -0.462 0.000 1.139 456 H CB 1.318 30.902 29.762 -0.297 0.000 1.838 456 H HN 0.690 nan 8.280 nan 0.000 0.550 457 E N 0.625 120.683 120.200 -0.237 0.000 2.331 457 E HA -0.160 4.189 4.350 -0.001 0.000 0.199 457 E C 0.881 177.425 176.600 -0.094 0.000 1.008 457 E CA 1.346 57.633 56.400 -0.188 0.000 0.843 457 E CB 0.180 29.842 29.700 -0.063 0.000 0.761 457 E HN 0.650 nan 8.360 nan 0.000 0.507 458 E N -0.003 120.251 120.200 0.089 0.000 2.107 458 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 458 E C 1.991 178.581 176.600 -0.016 0.000 0.982 458 E CA 1.485 57.941 56.400 0.094 0.000 0.809 458 E CB 0.170 29.985 29.700 0.190 0.000 0.756 458 E HN 0.194 nan 8.360 nan 0.000 0.459 459 S N -0.931 114.642 115.700 -0.210 0.000 2.663 459 S HA 0.174 4.643 4.470 -0.001 0.000 0.247 459 S C 0.576 174.985 174.600 -0.318 0.000 1.074 459 S CA -0.476 57.579 58.200 -0.241 0.000 0.955 459 S CB 0.344 63.414 63.200 -0.218 0.000 0.901 459 S HN 0.073 nan 8.310 nan 0.000 0.505 460 R N 2.097 122.235 120.500 -0.604 0.000 3.322 460 R HA -0.125 4.214 4.340 -0.001 0.000 0.253 460 R C -1.216 174.993 176.300 -0.151 0.000 0.987 460 R CA 0.757 56.457 56.100 -0.667 0.000 0.666 460 R CB -2.021 28.116 30.300 -0.271 0.000 1.072 460 R HN 0.672 nan 8.270 nan 0.000 0.447 461 E N 0.596 120.710 120.200 -0.144 0.000 2.344 461 E HA 0.094 4.443 4.350 -0.001 0.000 0.270 461 E C -0.009 176.749 176.600 0.264 0.000 1.021 461 E CA 0.413 56.850 56.400 0.062 0.000 0.887 461 E CB 0.896 30.616 29.700 0.033 0.000 0.997 461 E HN 0.091 nan 8.360 nan 0.000 0.429 462 T N 1.873 116.554 114.554 0.211 0.000 2.848 462 T HA 0.265 4.614 4.350 -0.001 0.000 0.285 462 T C -0.341 174.401 174.700 0.071 0.000 0.995 462 T CA -0.695 61.540 62.100 0.226 0.000 0.970 462 T CB 1.481 70.497 68.868 0.246 0.000 0.976 462 T HN 0.110 nan 8.240 nan 0.000 0.441 463 V N 4.488 124.375 119.914 -0.045 0.000 2.498 463 V HA 0.321 4.440 4.120 -0.001 0.000 0.279 463 V C -0.062 175.982 176.094 -0.083 0.000 1.048 463 V CA -0.720 61.396 62.300 -0.308 0.000 0.967 463 V CB 0.735 31.879 31.823 -1.132 0.000 0.988 463 V HN 0.683 nan 8.190 nan 0.000 0.473 464 I N 6.402 126.923 120.570 -0.080 0.000 2.307 464 I HA 0.352 4.521 4.170 -0.001 0.000 0.289 464 I C -0.022 176.054 176.117 -0.069 0.000 1.021 464 I CA -0.427 60.866 61.300 -0.011 0.000 1.224 464 I CB 1.010 39.001 38.000 -0.015 0.000 1.376 464 I HN 0.394 nan 8.210 nan 0.000 0.470 465 L N 6.322 127.526 121.223 -0.033 0.000 2.281 465 L HA 0.467 4.806 4.340 -0.001 0.000 0.285 465 L C -0.078 176.620 176.870 -0.288 0.000 1.074 465 L CA 0.235 55.004 54.840 -0.118 0.000 0.817 465 L CB 0.779 42.839 42.059 0.001 0.000 1.168 465 L HN 0.564 nan 8.230 nan 0.000 0.434 466 D N 0.168 120.417 120.400 -0.251 0.000 2.809 466 D HA 0.122 4.761 4.640 -0.001 0.000 0.336 466 D C 0.563 176.784 176.300 -0.131 0.000 1.367 466 D CA -0.433 53.426 54.000 -0.234 0.000 0.815 466 D CB 1.095 41.783 40.800 -0.188 0.000 1.381 466 D HN 0.212 nan 8.370 nan 0.000 0.471 467 S N -0.506 115.179 115.700 -0.024 0.000 2.392 467 S HA -0.117 4.352 4.470 -0.001 0.000 0.232 467 S C 0.310 174.888 174.600 -0.036 0.000 1.041 467 S CA 1.237 59.435 58.200 -0.003 0.000 1.026 467 S CB -0.209 63.024 63.200 0.055 0.000 0.845 467 S HN 0.286 nan 8.310 nan 0.000 0.465 468 E N 0.810 120.980 120.200 -0.050 0.000 2.199 468 E HA 0.326 4.675 4.350 -0.001 0.000 0.265 468 E C -0.783 175.778 176.600 -0.066 0.000 0.882 468 E CA -0.513 55.857 56.400 -0.049 0.000 0.759 468 E CB 1.403 31.078 29.700 -0.040 0.000 1.148 468 E HN 0.103 nan 8.360 nan 0.000 0.412 469 I N 2.838 123.368 120.570 -0.065 0.000 2.496 469 I HA 0.150 4.319 4.170 -0.001 0.000 0.285 469 I C 0.921 176.993 176.117 -0.075 0.000 1.080 469 I CA 0.155 61.405 61.300 -0.084 0.000 1.404 469 I CB 0.325 38.273 38.000 -0.087 0.000 1.403 469 I HN 0.505 nan 8.210 nan 0.000 0.539 470 T N 4.259 118.763 114.554 -0.084 0.000 2.841 470 T HA 0.781 5.131 4.350 -0.001 0.000 0.296 470 T C -0.520 174.136 174.700 -0.074 0.000 1.166 470 T CA -0.801 61.261 62.100 -0.063 0.000 1.007 470 T CB 2.219 71.062 68.868 -0.042 0.000 1.253 470 T HN 0.303 nan 8.240 nan 0.000 0.511 471 I N 0.878 121.420 120.570 -0.047 0.000 2.498 471 I HA 0.451 4.620 4.170 -0.001 0.000 0.290 471 I C -0.439 175.680 176.117 0.004 0.000 1.032 471 I CA -0.775 60.504 61.300 -0.035 0.000 1.073 471 I CB 2.174 40.155 38.000 -0.031 0.000 1.251 471 I HN 0.685 nan 8.210 nan 0.000 0.426 472 E N 5.266 125.485 120.200 0.031 0.000 2.199 472 E HA 0.379 4.728 4.350 -0.001 0.000 0.269 472 E C -1.154 175.488 176.600 0.069 0.000 0.899 472 E CA -0.976 55.455 56.400 0.050 0.000 0.772 472 E CB 1.916 31.656 29.700 0.067 0.000 1.155 472 E HN 0.414 nan 8.360 nan 0.000 0.408 473 N N 2.587 121.319 118.700 0.053 0.000 2.422 473 N HA 0.071 4.810 4.740 -0.001 0.000 0.266 473 N C -0.672 174.875 175.510 0.062 0.000 1.007 473 N CA -0.162 52.914 53.050 0.043 0.000 0.941 473 N CB 1.013 39.511 38.487 0.018 0.000 1.115 473 N HN 0.646 nan 8.380 nan 0.000 0.492 474 D N 0.801 121.248 120.400 0.078 0.000 2.737 474 D HA -0.115 4.524 4.640 -0.001 0.000 0.238 474 D C -2.225 174.173 176.300 0.163 0.000 1.157 474 D CA -0.080 53.989 54.000 0.115 0.000 0.694 474 D CB -0.306 40.533 40.800 0.065 0.000 1.021 474 D HN 0.364 nan 8.370 nan 0.000 0.420 475 P HA 0.031 nan 4.420 nan 0.000 0.266 475 P C -0.231 177.195 177.300 0.211 0.000 1.195 475 P CA 0.500 63.712 63.100 0.188 0.000 0.768 475 P CB 0.414 32.243 31.700 0.215 0.000 0.838 476 E N 0.584 120.835 120.200 0.086 0.000 2.252 476 E HA -0.183 4.166 4.350 -0.001 0.000 0.218 476 E C 0.848 177.522 176.600 0.122 0.000 1.253 476 E CA 0.346 56.751 56.400 0.008 0.000 0.705 476 E CB -1.981 27.578 29.700 -0.235 0.000 1.172 476 E HN 0.409 nan 8.360 nan 0.000 0.369 477 S N 0.189 115.967 115.700 0.130 0.000 2.359 477 S HA -0.252 4.217 4.470 -0.001 0.000 0.224 477 S C 1.669 176.354 174.600 0.142 0.000 1.035 477 S CA 1.534 59.825 58.200 0.152 0.000 1.018 477 S CB -0.048 63.213 63.200 0.101 0.000 0.876 477 S HN 0.433 nan 8.310 nan 0.000 0.448 478 E N 1.093 121.344 120.200 0.085 0.000 2.033 478 E HA -0.235 4.115 4.350 -0.001 0.000 0.199 478 E C 2.220 178.874 176.600 0.089 0.000 1.011 478 E CA 1.322 57.762 56.400 0.066 0.000 0.815 478 E CB -0.178 29.535 29.700 0.022 0.000 0.755 478 E HN 0.415 nan 8.360 nan 0.000 0.451 479 K N 0.936 121.375 120.400 0.065 0.000 2.032 479 K HA -0.230 4.089 4.320 -0.001 0.000 0.209 479 K C 2.322 179.084 176.600 0.271 0.000 1.048 479 K CA 1.434 57.769 56.287 0.081 0.000 0.927 479 K CB -0.082 32.375 32.500 -0.072 0.000 0.712 479 K HN -0.057 nan 8.250 nan 0.000 0.441 480 R N 0.757 121.522 120.500 0.442 0.000 2.094 480 R HA -0.206 4.133 4.340 -0.001 0.000 0.239 480 R C 2.250 178.856 176.300 0.511 0.000 1.137 480 R CA 2.187 58.701 56.100 0.690 0.000 0.943 480 R CB -0.189 30.490 30.300 0.631 0.000 0.850 480 R HN 0.370 nan 8.270 nan 0.000 0.433 481 Q N -0.093 119.894 119.800 0.313 0.000 2.181 481 Q HA -0.173 4.166 4.340 -0.001 0.000 0.205 481 Q C 2.044 178.156 176.000 0.188 0.000 0.980 481 Q CA 1.593 57.533 55.803 0.228 0.000 0.862 481 Q CB 0.036 28.862 28.738 0.146 0.000 0.905 481 Q HN 0.404 nan 8.270 nan 0.000 0.429 482 K N 0.432 120.928 120.400 0.159 0.000 2.031 482 K HA -0.044 4.275 4.320 -0.001 0.000 0.205 482 K C 1.982 178.628 176.600 0.077 0.000 1.049 482 K CA 0.851 57.196 56.287 0.096 0.000 0.939 482 K CB 0.013 32.548 32.500 0.059 0.000 0.717 482 K HN 0.177 nan 8.250 nan 0.000 0.438 483 L N 0.002 121.272 121.223 0.078 0.000 2.395 483 L HA 0.039 4.378 4.340 -0.001 0.000 0.218 483 L C 0.579 177.230 176.870 -0.365 0.000 1.130 483 L CA 0.459 55.222 54.840 -0.127 0.000 0.826 483 L CB -0.066 41.901 42.059 -0.153 0.000 0.941 483 L HN 0.002 nan 8.230 nan 0.000 0.451 484 F N 0.000 120.019 119.950 0.116 0.000 2.286 484 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 484 F CA 0.000 58.049 58.000 0.081 0.000 1.383 484 F CB 0.000 39.047 39.000 0.079 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574