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 2qf2_1_B DATA FIRST_RESID 9 DATA SEQUENCE LDFSAKVIQG SLDSLPQEVR KFVEGNAQLC QPEYIHICDG SEEEYGRLLA DATA SEQUENCE HMQEEGVIRK LKKYDNCWLA LTDPRDVARI ESKTVIITQE QRDTVPIPKS DATA SEQUENCE GQSQLGRWMS EEDFEKAFNA RFPGCMKGRT MYVIPFSMGP LGSPLAKIGI DATA SEQUENCE ELTDSPYVVA SMRIMTRMGT SVLEALGDGE FIKCLHSVGC PLPLKKPLVN DATA SEQUENCE NWACNPELTL IAHLPDRREI ISFGSGYGGN SLLGKKCFAL RIASRLAKEE DATA SEQUENCE GWLAEHMLIL GITNPEGKKK YLAAAFPSAC GKTNLAMMNP TLPGWKVECV DATA SEQUENCE GDDIAWMKFD AQGNLRAINP ENGFFGVAPG TSVKTNPNAI KTIQKNTIFT DATA SEQUENCE NVAETSDGGV YWEGIDEPLA PGVTITSWKN KEWRPQDEEP CAHPNSRFCT DATA SEQUENCE PASQCPIIDP AWESPEGVPI EGIIFGGRRP AGVPLVYEAL SWQHGVFVGA DATA SEQUENCE AMRSEAXXXX XXXXKVIMHD PFAMRPFFGY NFGKYLAHWL SMAHRPAAKL DATA SEQUENCE PKIFHVNWFR KDKNGKFLWP GFGENSRVLE WMFGRIEGED SAKLTPIGYV DATA SEQUENCE PKEDALNLKG LGDVNVEELF GISKEFWEKE VEEIDKYLED QVNADLPYEI DATA SEQUENCE ERELRALKQR ISQM 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.645 176.870 -0.375 0.000 1.165 9 L CA 0.000 54.677 54.840 -0.271 0.000 0.813 9 L CB 0.000 41.733 42.059 -0.544 0.000 0.961 10 D N 1.090 121.236 120.400 -0.425 0.000 2.359 10 D HA 0.350 4.982 4.640 -0.014 0.000 0.230 10 D C -0.156 175.896 176.300 -0.413 0.000 1.118 10 D CA 0.146 53.988 54.000 -0.263 0.000 0.844 10 D CB 0.519 41.238 40.800 -0.134 0.000 1.059 10 D HN 0.345 nan 8.370 nan 0.000 0.493 11 F N 1.663 121.619 119.950 0.009 0.000 2.639 11 F HA 0.119 4.638 4.527 -0.013 0.000 0.300 11 F C 2.285 178.092 175.800 0.012 0.000 1.109 11 F CA -0.327 57.679 58.000 0.009 0.000 1.335 11 F CB 0.198 39.202 39.000 0.006 0.000 1.014 11 F HN 0.261 nan 8.300 nan 0.000 0.537 12 S N 0.770 116.531 115.700 0.102 0.000 2.387 12 S HA -0.286 4.175 4.470 -0.014 0.000 0.230 12 S C 2.448 177.087 174.600 0.064 0.000 1.035 12 S CA 1.431 59.672 58.200 0.069 0.000 1.014 12 S CB -0.368 62.850 63.200 0.031 0.000 0.836 12 S HN 0.479 nan 8.310 nan 0.000 0.466 13 A N 0.874 123.728 122.820 0.056 0.000 2.067 13 A HA -0.031 4.281 4.320 -0.014 0.000 0.219 13 A C 1.892 179.537 177.584 0.103 0.000 1.158 13 A CA 1.161 53.233 52.037 0.058 0.000 0.661 13 A CB -0.218 18.804 19.000 0.036 0.000 0.801 13 A HN 0.435 nan 8.150 nan 0.000 0.452 14 K N -0.451 120.035 120.400 0.143 0.000 2.374 14 K HA 0.223 4.535 4.320 -0.014 0.000 0.196 14 K C -0.504 176.204 176.600 0.181 0.000 1.023 14 K CA -0.198 56.214 56.287 0.209 0.000 1.103 14 K CB 0.570 33.193 32.500 0.204 0.000 0.848 14 K HN 0.234 nan 8.250 nan 0.000 0.528 15 V N 3.170 123.141 119.914 0.095 0.000 2.470 15 V HA 0.031 4.143 4.120 -0.014 0.000 0.276 15 V C 1.138 177.211 176.094 -0.036 0.000 1.040 15 V CA 0.190 62.507 62.300 0.029 0.000 1.008 15 V CB 0.569 32.401 31.823 0.015 0.000 0.990 15 V HN 0.265 nan 8.190 nan 0.000 0.477 16 I N 1.616 122.129 120.570 -0.095 0.000 4.070 16 I HA 0.420 4.582 4.170 -0.014 0.000 0.328 16 I C 0.584 176.587 176.117 -0.191 0.000 1.298 16 I CA 0.308 61.501 61.300 -0.178 0.000 1.173 16 I CB 0.369 38.179 38.000 -0.317 0.000 1.051 16 I HN 0.613 nan 8.210 nan 0.000 0.409 17 Q N 1.361 121.012 119.800 -0.249 0.000 2.320 17 Q HA 0.529 4.861 4.340 -0.014 0.000 0.272 17 Q C -0.163 175.701 176.000 -0.226 0.000 1.023 17 Q CA 0.087 55.696 55.803 -0.323 0.000 0.855 17 Q CB 2.233 30.548 28.738 -0.706 0.000 1.367 17 Q HN 0.503 nan 8.270 nan 0.000 0.406 18 G N 1.701 110.415 108.800 -0.144 0.000 2.632 18 G HA2 -0.146 3.806 3.960 -0.014 0.000 0.224 18 G HA3 -0.146 3.806 3.960 -0.014 0.000 0.224 18 G C -0.891 173.977 174.900 -0.054 0.000 1.341 18 G CA -0.183 44.867 45.100 -0.084 0.000 0.880 18 G HN 1.057 nan 8.290 nan 0.000 0.566 19 S N -1.631 114.050 115.700 -0.031 0.000 2.543 19 S HA 0.591 5.053 4.470 -0.014 0.000 0.271 19 S C 1.089 175.690 174.600 0.001 0.000 1.148 19 S CA 0.152 58.345 58.200 -0.012 0.000 0.914 19 S CB 1.421 64.615 63.200 -0.010 0.000 1.096 19 S HN 1.105 nan 8.310 nan 0.000 0.471 20 L N 2.527 123.760 121.223 0.016 0.000 2.201 20 L HA 0.003 4.334 4.340 -0.014 0.000 0.212 20 L C 1.556 178.443 176.870 0.028 0.000 1.105 20 L CA 0.917 55.775 54.840 0.031 0.000 0.775 20 L CB -0.296 41.796 42.059 0.055 0.000 0.913 20 L HN 0.648 nan 8.230 nan 0.000 0.440 21 D N -0.491 119.921 120.400 0.021 0.000 2.178 21 D HA -0.122 4.510 4.640 -0.014 0.000 0.202 21 D C 2.322 178.629 176.300 0.012 0.000 0.974 21 D CA 1.119 55.130 54.000 0.017 0.000 0.841 21 D CB 0.045 40.852 40.800 0.012 0.000 0.953 21 D HN 0.173 nan 8.370 nan 0.000 0.478 22 S N 0.194 115.898 115.700 0.006 0.000 2.428 22 S HA 0.011 4.473 4.470 -0.014 0.000 0.230 22 S C 1.175 175.776 174.600 0.001 0.000 1.014 22 S CA 0.051 58.252 58.200 0.001 0.000 0.957 22 S CB 0.106 63.303 63.200 -0.005 0.000 0.784 22 S HN 0.215 nan 8.310 nan 0.000 0.499 23 L N 2.475 123.701 121.223 0.005 0.000 2.461 23 L HA 0.189 4.521 4.340 -0.014 0.000 0.272 23 L C -2.272 174.603 176.870 0.009 0.000 1.197 23 L CA -1.832 53.008 54.840 0.001 0.000 0.836 23 L CB -0.392 41.672 42.059 0.009 0.000 1.105 23 L HN -0.025 nan 8.230 nan 0.000 0.477 24 P HA -0.047 nan 4.420 nan 0.000 0.267 24 P C 0.232 177.564 177.300 0.053 0.000 1.200 24 P CA -0.062 63.051 63.100 0.021 0.000 0.772 24 P CB 0.523 32.228 31.700 0.009 0.000 0.855 25 Q N 1.856 121.695 119.800 0.065 0.000 2.082 25 Q HA -0.299 4.033 4.340 -0.014 0.000 0.211 25 Q C 1.381 177.454 176.000 0.122 0.000 1.002 25 Q CA 1.847 57.698 55.803 0.080 0.000 0.868 25 Q CB -0.095 28.684 28.738 0.068 0.000 0.931 25 Q HN 0.390 nan 8.270 nan 0.000 0.414 26 E N -0.500 119.800 120.200 0.165 0.000 2.208 26 E HA -0.100 4.242 4.350 -0.014 0.000 0.193 26 E C 2.112 178.939 176.600 0.378 0.000 0.988 26 E CA 0.890 57.443 56.400 0.255 0.000 0.828 26 E CB -0.005 29.858 29.700 0.272 0.000 0.763 26 E HN 0.294 nan 8.360 nan 0.000 0.478 27 V N 1.292 121.347 119.914 0.235 0.000 2.358 27 V HA -0.210 3.902 4.120 -0.014 0.000 0.246 27 V C 2.584 178.784 176.094 0.176 0.000 1.047 27 V CA 1.788 64.147 62.300 0.098 0.000 1.035 27 V CB -0.517 31.196 31.823 -0.183 0.000 0.658 27 V HN 0.174 nan 8.190 nan 0.000 0.452 28 R N 0.497 121.073 120.500 0.127 0.000 2.073 28 R HA -0.191 4.141 4.340 -0.014 0.000 0.234 28 R C 2.382 178.766 176.300 0.141 0.000 1.134 28 R CA 1.762 57.928 56.100 0.110 0.000 0.952 28 R CB -0.179 30.174 30.300 0.087 0.000 0.850 28 R HN 0.458 nan 8.270 nan 0.000 0.433 29 K N -0.439 120.066 120.400 0.175 0.000 2.097 29 K HA -0.174 4.138 4.320 -0.014 0.000 0.206 29 K C 1.912 178.647 176.600 0.226 0.000 1.049 29 K CA 1.526 57.919 56.287 0.177 0.000 0.933 29 K CB -0.313 32.286 32.500 0.165 0.000 0.717 29 K HN 0.134 nan 8.250 nan 0.000 0.442 30 F N 1.543 121.571 119.950 0.130 0.000 2.102 30 F HA -0.200 4.319 4.527 -0.014 0.000 0.298 30 F C 1.884 177.734 175.800 0.083 0.000 1.105 30 F CA 1.091 59.172 58.000 0.135 0.000 1.239 30 F CB -0.474 38.681 39.000 0.258 0.000 0.991 30 F HN -0.285 nan 8.300 nan 0.000 0.474 31 V N 0.660 120.524 119.914 -0.083 0.000 2.295 31 V HA -0.285 3.827 4.120 -0.014 0.000 0.246 31 V C 2.360 178.329 176.094 -0.208 0.000 1.049 31 V CA 2.354 64.520 62.300 -0.223 0.000 1.024 31 V CB -0.744 31.031 31.823 -0.080 0.000 0.648 31 V HN 0.338 nan 8.190 nan 0.000 0.447 32 E N 0.229 120.383 120.200 -0.076 0.000 2.106 32 E HA -0.122 4.220 4.350 -0.014 0.000 0.192 32 E C 2.336 178.861 176.600 -0.124 0.000 0.984 32 E CA 1.133 57.490 56.400 -0.071 0.000 0.806 32 E CB -0.462 29.358 29.700 0.200 0.000 0.750 32 E HN 0.649 nan 8.360 nan 0.000 0.458 33 G N 1.364 110.151 108.800 -0.021 0.000 2.440 33 G HA2 -0.294 3.658 3.960 -0.014 0.000 0.218 33 G HA3 -0.294 3.658 3.960 -0.014 0.000 0.218 33 G C 1.309 176.166 174.900 -0.071 0.000 1.154 33 G CA 1.044 46.149 45.100 0.007 0.000 0.767 33 G HN 0.198 nan 8.290 nan 0.000 0.552 34 N N 0.460 119.062 118.700 -0.164 0.000 2.376 34 N HA 0.187 4.918 4.740 -0.014 0.000 0.177 34 N C 2.383 177.755 175.510 -0.229 0.000 1.024 34 N CA 0.659 53.606 53.050 -0.170 0.000 0.893 34 N CB -0.052 38.284 38.487 -0.251 0.000 0.980 34 N HN 0.321 nan 8.380 nan 0.000 0.439 35 A N 0.950 123.531 122.820 -0.398 0.000 1.902 35 A HA -0.241 4.071 4.320 -0.014 0.000 0.217 35 A C 2.101 179.320 177.584 -0.608 0.000 1.181 35 A CA 1.315 52.997 52.037 -0.592 0.000 0.623 35 A CB -0.598 17.818 19.000 -0.974 0.000 0.818 35 A HN 0.346 nan 8.150 nan 0.000 0.443 36 Q N -0.883 118.588 119.800 -0.548 0.000 2.050 36 Q HA -0.176 4.156 4.340 -0.014 0.000 0.202 36 Q C 2.023 178.017 176.000 -0.011 0.000 0.980 36 Q CA 1.765 57.523 55.803 -0.076 0.000 0.840 36 Q CB -0.224 28.620 28.738 0.178 0.000 0.898 36 Q HN 0.571 nan 8.270 nan 0.000 0.424 37 L N -0.053 121.155 121.223 -0.025 0.000 2.027 37 L HA -0.118 4.214 4.340 -0.014 0.000 0.206 37 L C 2.104 178.979 176.870 0.007 0.000 1.074 37 L CA 1.744 56.598 54.840 0.023 0.000 0.745 37 L CB -0.542 41.557 42.059 0.067 0.000 0.898 37 L HN 0.346 nan 8.230 nan 0.000 0.433 38 C N -0.609 118.681 119.300 -0.016 0.000 2.533 38 C HA 0.147 4.599 4.460 -0.014 0.000 0.272 38 C C 1.171 176.142 174.990 -0.031 0.000 1.371 38 C CA -0.056 58.965 59.018 0.004 0.000 1.758 38 C CB -1.007 26.753 27.740 0.033 0.000 1.972 38 C HN 0.699 nan 8.230 nan 0.000 0.522 39 Q N -0.515 119.249 119.800 -0.060 0.000 2.463 39 Q HA -0.154 4.178 4.340 -0.014 0.000 0.299 39 Q C -2.339 173.624 176.000 -0.062 0.000 1.353 39 Q CA 0.027 55.804 55.803 -0.044 0.000 0.828 39 Q CB -1.362 27.369 28.738 -0.011 0.000 1.157 39 Q HN 0.505 nan 8.270 nan 0.000 0.436 40 P HA -0.106 nan 4.420 nan 0.000 0.270 40 P C 0.371 177.603 177.300 -0.113 0.000 1.223 40 P CA 0.262 63.306 63.100 -0.093 0.000 0.785 40 P CB 0.759 32.402 31.700 -0.095 0.000 0.923 41 E N 0.601 120.691 120.200 -0.183 0.000 2.107 41 E HA -0.121 4.221 4.350 -0.014 0.000 0.191 41 E C -0.279 176.056 176.600 -0.442 0.000 0.982 41 E CA 1.061 57.240 56.400 -0.369 0.000 0.809 41 E CB 0.057 29.432 29.700 -0.541 0.000 0.756 41 E HN 0.416 nan 8.360 nan 0.000 0.459 42 Y N -0.865 119.400 120.300 -0.058 0.000 2.576 42 Y HA 0.481 5.022 4.550 -0.014 0.000 0.346 42 Y C -0.408 175.431 175.900 -0.101 0.000 1.018 42 Y CA -1.097 56.964 58.100 -0.065 0.000 1.050 42 Y CB 1.510 39.924 38.460 -0.077 0.000 1.280 42 Y HN -0.142 nan 8.280 nan 0.000 0.474 43 I N 1.582 122.224 120.570 0.121 0.000 2.389 43 I HA 0.272 4.434 4.170 -0.014 0.000 0.288 43 I C -1.087 175.038 176.117 0.014 0.000 0.999 43 I CA -0.551 60.761 61.300 0.019 0.000 1.129 43 I CB 1.478 39.485 38.000 0.012 0.000 1.288 43 I HN 0.626 nan 8.210 nan 0.000 0.444 44 H N 6.878 125.871 119.070 -0.130 0.000 2.638 44 H HA 0.534 5.082 4.556 -0.014 0.000 0.317 44 H C -0.906 174.434 175.328 0.021 0.000 1.006 44 H CA -0.522 55.480 56.048 -0.077 0.000 1.222 44 H CB 0.951 30.623 29.762 -0.150 0.000 1.419 44 H HN 0.482 nan 8.280 nan 0.000 0.489 45 I N 5.879 126.404 120.570 -0.075 0.000 2.337 45 I HA 0.081 4.243 4.170 -0.014 0.000 0.291 45 I C 0.138 176.280 176.117 0.042 0.000 1.046 45 I CA -0.480 60.834 61.300 0.022 0.000 1.324 45 I CB 0.453 38.440 38.000 -0.022 0.000 1.409 45 I HN 0.615 nan 8.210 nan 0.000 0.494 46 C N 5.243 124.676 119.300 0.223 0.000 2.653 46 C HA 0.030 4.482 4.460 -0.014 0.000 0.421 46 C C 1.519 176.580 174.990 0.118 0.000 1.334 46 C CA -0.333 58.836 59.018 0.252 0.000 1.885 46 C CB -0.162 27.722 27.740 0.239 0.000 2.645 46 C HN 0.837 nan 8.230 nan 0.000 0.601 47 D N -0.042 120.422 120.400 0.107 0.000 2.392 47 D HA 0.165 4.797 4.640 -0.014 0.000 0.206 47 D C 1.457 177.787 176.300 0.050 0.000 1.046 47 D CA 0.734 54.768 54.000 0.056 0.000 0.865 47 D CB -0.248 40.571 40.800 0.032 0.000 0.969 47 D HN 0.929 nan 8.370 nan 0.000 0.509 48 G N 0.580 109.418 108.800 0.063 0.000 2.162 48 G HA2 -0.296 3.656 3.960 -0.014 0.000 0.260 48 G HA3 -0.296 3.656 3.960 -0.014 0.000 0.260 48 G C 0.435 175.344 174.900 0.015 0.000 0.976 48 G CA 0.618 45.731 45.100 0.022 0.000 0.655 48 G HN 0.895 nan 8.290 nan 0.000 0.533 49 S N -0.413 115.315 115.700 0.048 0.000 2.584 49 S HA 0.476 4.938 4.470 -0.014 0.000 0.270 49 S C 1.252 175.902 174.600 0.083 0.000 1.346 49 S CA 0.761 58.992 58.200 0.053 0.000 1.018 49 S CB 1.817 65.052 63.200 0.058 0.000 0.899 49 S HN 0.520 nan 8.310 nan 0.000 0.542 50 E N 1.263 121.514 120.200 0.086 0.000 2.110 50 E HA -0.162 4.180 4.350 -0.014 0.000 0.193 50 E C 1.572 178.266 176.600 0.156 0.000 0.988 50 E CA 1.933 58.418 56.400 0.142 0.000 0.804 50 E CB -0.508 29.262 29.700 0.116 0.000 0.745 50 E HN 0.826 nan 8.360 nan 0.000 0.458 51 E N 0.613 120.877 120.200 0.106 0.000 2.058 51 E HA -0.222 4.120 4.350 -0.014 0.000 0.194 51 E C 2.029 178.686 176.600 0.094 0.000 0.997 51 E CA 1.578 58.030 56.400 0.088 0.000 0.801 51 E CB -0.307 29.433 29.700 0.067 0.000 0.746 51 E HN 0.509 nan 8.360 nan 0.000 0.450 52 E N -0.349 119.920 120.200 0.115 0.000 2.058 52 E HA -0.275 4.067 4.350 -0.014 0.000 0.194 52 E C 2.002 178.675 176.600 0.121 0.000 0.997 52 E CA 1.095 57.574 56.400 0.132 0.000 0.801 52 E CB -0.233 29.569 29.700 0.170 0.000 0.746 52 E HN 0.346 nan 8.360 nan 0.000 0.450 53 Y N 0.783 121.075 120.300 -0.012 0.000 2.114 53 Y HA -0.061 4.481 4.550 -0.014 0.000 0.284 53 Y C 2.243 178.101 175.900 -0.070 0.000 1.143 53 Y CA 2.085 60.150 58.100 -0.057 0.000 1.135 53 Y CB -0.926 37.511 38.460 -0.039 0.000 0.980 53 Y HN 0.111 nan 8.280 nan 0.000 0.499 54 G N -0.078 108.684 108.800 -0.062 0.000 2.442 54 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.219 54 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.219 54 G C 1.814 176.645 174.900 -0.114 0.000 1.141 54 G CA 0.876 45.899 45.100 -0.129 0.000 0.763 54 G HN 0.379 nan 8.290 nan 0.000 0.554 55 R N -0.559 119.913 120.500 -0.046 0.000 2.090 55 R HA 0.152 4.484 4.340 -0.014 0.000 0.228 55 R C 2.539 178.810 176.300 -0.049 0.000 1.110 55 R CA 0.838 56.925 56.100 -0.023 0.000 0.973 55 R CB -0.400 29.907 30.300 0.013 0.000 0.869 55 R HN 0.400 nan 8.270 nan 0.000 0.440 56 L N 0.905 122.071 121.223 -0.096 0.000 2.056 56 L HA -0.129 4.203 4.340 -0.014 0.000 0.207 56 L C 1.981 178.725 176.870 -0.210 0.000 1.078 56 L CA 1.273 56.047 54.840 -0.111 0.000 0.749 56 L CB -0.086 41.879 42.059 -0.156 0.000 0.901 56 L HN 0.142 nan 8.230 nan 0.000 0.433 57 L N -0.259 120.705 121.223 -0.432 0.000 2.017 57 L HA -0.197 4.134 4.340 -0.014 0.000 0.208 57 L C 2.826 179.367 176.870 -0.547 0.000 1.073 57 L CA 1.260 55.647 54.840 -0.755 0.000 0.745 57 L CB -0.856 40.413 42.059 -1.315 0.000 0.894 57 L HN 0.359 nan 8.230 nan 0.000 0.432 58 A N -1.207 121.452 122.820 -0.269 0.000 1.933 58 A HA -0.282 4.030 4.320 -0.014 0.000 0.218 58 A C 2.262 179.865 177.584 0.032 0.000 1.175 58 A CA 1.731 53.751 52.037 -0.029 0.000 0.628 58 A CB -0.966 18.064 19.000 0.051 0.000 0.814 58 A HN 0.555 nan 8.150 nan 0.000 0.444 59 H N -0.695 118.330 119.070 -0.075 0.000 2.321 59 H HA -0.100 4.448 4.556 -0.014 0.000 0.300 59 H C 2.061 177.372 175.328 -0.029 0.000 1.087 59 H CA 1.969 57.996 56.048 -0.034 0.000 1.319 59 H CB -0.143 29.601 29.762 -0.030 0.000 1.379 59 H HN 0.473 nan 8.280 nan 0.000 0.501 60 M N 0.470 119.957 119.600 -0.189 0.000 2.149 60 M HA -0.219 4.253 4.480 -0.014 0.000 0.261 60 M C 2.639 178.883 176.300 -0.093 0.000 1.064 60 M CA 1.654 56.835 55.300 -0.198 0.000 1.102 60 M CB -0.229 32.283 32.600 -0.147 0.000 1.369 60 M HN 0.386 nan 8.290 nan 0.000 0.408 61 Q N 0.350 120.130 119.800 -0.034 0.000 2.084 61 Q HA -0.194 4.138 4.340 -0.014 0.000 0.202 61 Q C 1.799 177.837 176.000 0.064 0.000 0.978 61 Q CA 1.205 57.067 55.803 0.099 0.000 0.844 61 Q CB 0.138 29.020 28.738 0.240 0.000 0.898 61 Q HN 0.397 nan 8.270 nan 0.000 0.426 62 E N 0.443 120.657 120.200 0.023 0.000 2.208 62 E HA -0.118 4.224 4.350 -0.014 0.000 0.193 62 E C 1.143 177.735 176.600 -0.013 0.000 0.988 62 E CA 0.769 57.185 56.400 0.026 0.000 0.828 62 E CB 0.179 29.913 29.700 0.057 0.000 0.763 62 E HN 0.473 nan 8.360 nan 0.000 0.478 63 E N -0.494 119.651 120.200 -0.092 0.000 2.489 63 E HA 0.084 4.426 4.350 -0.014 0.000 0.193 63 E C 0.739 177.322 176.600 -0.029 0.000 1.057 63 E CA 0.306 56.652 56.400 -0.091 0.000 0.866 63 E CB 0.347 29.925 29.700 -0.205 0.000 0.916 63 E HN 0.282 nan 8.360 nan 0.000 0.500 64 G N 1.086 109.889 108.800 0.006 0.000 2.153 64 G HA2 -0.303 3.649 3.960 -0.014 0.000 0.252 64 G HA3 -0.303 3.649 3.960 -0.014 0.000 0.252 64 G C 1.004 175.947 174.900 0.071 0.000 0.994 64 G CA 0.495 45.623 45.100 0.047 0.000 0.698 64 G HN 0.264 nan 8.290 nan 0.000 0.521 65 V N 0.391 120.338 119.914 0.055 0.000 2.591 65 V HA 0.226 4.337 4.120 -0.014 0.000 0.249 65 V C 1.538 177.739 176.094 0.178 0.000 1.053 65 V CA 2.031 64.391 62.300 0.100 0.000 1.068 65 V CB -0.383 31.460 31.823 0.032 0.000 0.689 65 V HN 0.802 nan 8.190 nan 0.000 0.462 66 I N -2.679 117.993 120.570 0.171 0.000 2.969 66 I HA 0.632 4.794 4.170 -0.014 0.000 0.307 66 I C -0.628 175.664 176.117 0.293 0.000 1.149 66 I CA -1.162 60.295 61.300 0.262 0.000 1.008 66 I CB 2.340 40.517 38.000 0.294 0.000 1.232 66 I HN -0.194 nan 8.210 nan 0.000 0.435 67 R N 2.194 122.891 120.500 0.329 0.000 2.589 67 R HA 0.472 4.804 4.340 -0.014 0.000 0.293 67 R C -0.826 175.659 176.300 0.310 0.000 0.963 67 R CA -1.008 55.259 56.100 0.278 0.000 0.905 67 R CB 2.383 32.788 30.300 0.175 0.000 1.144 67 R HN 0.562 nan 8.270 nan 0.000 0.459 68 K N 2.729 123.199 120.400 0.116 0.000 2.276 68 K HA 0.215 4.527 4.320 -0.014 0.000 0.283 68 K C -0.665 175.820 176.600 -0.191 0.000 1.044 68 K CA -0.302 55.788 56.287 -0.329 0.000 0.944 68 K CB 0.613 32.767 32.500 -0.576 0.000 1.012 68 K HN 0.419 nan 8.250 nan 0.000 0.472 69 L N 6.634 127.738 121.223 -0.199 0.000 2.282 69 L HA 0.167 4.499 4.340 -0.014 0.000 0.287 69 L C 1.367 178.148 176.870 -0.149 0.000 1.075 69 L CA -0.198 54.602 54.840 -0.067 0.000 0.839 69 L CB 0.721 42.865 42.059 0.142 0.000 1.219 69 L HN 0.719 nan 8.230 nan 0.000 0.434 70 K N 2.284 122.579 120.400 -0.174 0.000 2.362 70 K HA -0.154 4.158 4.320 -0.014 0.000 0.200 70 K C 1.646 178.103 176.600 -0.239 0.000 1.046 70 K CA 0.945 57.123 56.287 -0.182 0.000 0.952 70 K CB 0.088 32.506 32.500 -0.137 0.000 0.753 70 K HN 0.429 nan 8.250 nan 0.000 0.466 71 K N 0.066 120.218 120.400 -0.413 0.000 2.217 71 K HA -0.048 4.264 4.320 -0.014 0.000 0.202 71 K C -0.379 175.878 176.600 -0.573 0.000 1.051 71 K CA 0.720 56.642 56.287 -0.608 0.000 0.952 71 K CB 0.127 32.045 32.500 -0.970 0.000 0.736 71 K HN 0.138 nan 8.250 nan 0.000 0.453 72 Y N -0.039 120.227 120.300 -0.058 0.000 2.621 72 Y HA 0.206 4.748 4.550 -0.014 0.000 0.334 72 Y C -0.329 175.545 175.900 -0.044 0.000 1.074 72 Y CA -2.153 55.929 58.100 -0.029 0.000 1.149 72 Y CB 0.538 39.007 38.460 0.015 0.000 1.302 72 Y HN -0.117 nan 8.280 nan 0.000 0.501 73 D N 1.661 122.165 120.400 0.174 0.000 2.344 73 D HA 0.011 4.643 4.640 -0.014 0.000 0.253 73 D C 0.200 176.560 176.300 0.099 0.000 1.255 73 D CA 0.461 54.520 54.000 0.097 0.000 0.894 73 D CB -0.322 40.535 40.800 0.095 0.000 1.067 73 D HN 0.681 nan 8.370 nan 0.000 0.492 74 N N 2.987 121.706 118.700 0.031 0.000 2.738 74 N HA -0.208 4.524 4.740 -0.014 0.000 0.249 74 N C -1.215 174.322 175.510 0.044 0.000 1.047 74 N CA 0.086 53.171 53.050 0.059 0.000 0.707 74 N CB -1.124 37.495 38.487 0.219 0.000 0.937 74 N HN 0.311 nan 8.380 nan 0.000 0.545 75 C N 0.518 119.724 119.300 -0.157 0.000 2.435 75 C HA 0.723 5.175 4.460 -0.014 0.000 0.333 75 C C -0.161 174.664 174.990 -0.275 0.000 1.202 75 C CA -0.493 58.543 59.018 0.031 0.000 1.830 75 C CB 0.540 28.465 27.740 0.309 0.000 2.326 75 C HN 0.493 nan 8.230 nan 0.000 0.507 76 W N 1.792 123.280 121.300 0.314 0.000 3.033 76 W HA 0.708 5.359 4.660 -0.014 0.000 0.336 76 W C -0.885 175.845 176.519 0.353 0.000 1.173 76 W CA -0.711 56.792 57.345 0.263 0.000 1.185 76 W CB 1.076 30.636 29.460 0.165 0.000 1.425 76 W HN 0.339 nan 8.180 nan 0.000 0.536 77 L N 2.605 124.143 121.223 0.525 0.000 2.406 77 L HA 0.897 5.229 4.340 -0.014 0.000 0.272 77 L C -0.778 176.317 176.870 0.375 0.000 0.980 77 L CA -0.743 54.356 54.840 0.431 0.000 0.831 77 L CB 1.279 43.523 42.059 0.309 0.000 1.253 77 L HN 0.519 nan 8.230 nan 0.000 0.406 78 A N 6.087 129.126 122.820 0.365 0.000 2.330 78 A HA 0.817 5.129 4.320 -0.014 0.000 0.327 78 A C -1.299 176.378 177.584 0.155 0.000 1.155 78 A CA -0.525 51.684 52.037 0.288 0.000 0.803 78 A CB 0.785 20.008 19.000 0.372 0.000 1.208 78 A HN 0.702 nan 8.150 nan 0.000 0.477 79 L N 2.904 124.187 121.223 0.101 0.000 2.325 79 L HA 0.477 4.809 4.340 -0.014 0.000 0.281 79 L C 0.672 177.471 176.870 -0.119 0.000 1.004 79 L CA -0.615 54.253 54.840 0.048 0.000 0.823 79 L CB 1.946 44.060 42.059 0.091 0.000 1.236 79 L HN 0.919 nan 8.230 nan 0.000 0.415 80 T N -2.124 112.225 114.554 -0.341 0.000 2.881 80 T HA 0.191 4.533 4.350 -0.014 0.000 0.278 80 T C 0.013 174.521 174.700 -0.320 0.000 0.982 80 T CA -0.812 60.788 62.100 -0.832 0.000 0.989 80 T CB 1.669 69.690 68.868 -1.413 0.000 1.058 80 T HN 0.465 nan 8.240 nan 0.000 0.529 81 D N 2.096 122.351 120.400 -0.241 0.000 2.487 81 D HA 0.069 4.701 4.640 -0.014 0.000 0.243 81 D C -1.063 175.218 176.300 -0.032 0.000 1.154 81 D CA -1.786 52.212 54.000 -0.004 0.000 0.876 81 D CB 1.240 42.158 40.800 0.195 0.000 1.161 81 D HN 0.304 nan 8.370 nan 0.000 0.478 82 P HA -0.120 nan 4.420 nan 0.000 0.223 82 P C 0.875 178.214 177.300 0.065 0.000 1.144 82 P CA 0.822 63.994 63.100 0.120 0.000 0.783 82 P CB 0.224 31.979 31.700 0.092 0.000 0.771 83 R N -0.484 120.044 120.500 0.046 0.000 2.280 83 R HA 0.007 4.338 4.340 -0.014 0.000 0.207 83 R C 0.366 176.683 176.300 0.028 0.000 1.043 83 R CA 0.587 56.714 56.100 0.045 0.000 1.006 83 R CB -0.231 30.106 30.300 0.061 0.000 0.885 83 R HN 0.118 nan 8.270 nan 0.000 0.467 84 D N 0.122 120.524 120.400 0.005 0.000 2.400 84 D HA 0.089 4.721 4.640 -0.014 0.000 0.272 84 D C 0.312 176.475 176.300 -0.228 0.000 1.220 84 D CA -0.329 53.684 54.000 0.021 0.000 0.897 84 D CB 1.248 42.224 40.800 0.294 0.000 1.134 84 D HN -0.050 nan 8.370 nan 0.000 0.507 85 V N 0.266 119.881 119.914 -0.498 0.000 3.411 85 V HA 0.844 4.955 4.120 -0.014 0.000 0.287 85 V C 0.470 175.722 176.094 -1.403 0.000 1.543 85 V CA 0.370 62.023 62.300 -1.078 0.000 1.028 85 V CB -0.092 31.125 31.823 -1.010 0.000 0.840 85 V HN 0.430 nan 8.190 nan 0.000 0.435 86 A N 0.092 122.445 122.820 -0.779 0.000 2.586 86 A HA 0.723 5.035 4.320 -0.014 0.000 0.290 86 A C -0.610 176.950 177.584 -0.039 0.000 1.086 86 A CA -1.033 50.785 52.037 -0.365 0.000 0.665 86 A CB 0.960 19.859 19.000 -0.169 0.000 1.279 86 A HN 0.229 nan 8.150 nan 0.000 0.423 87 R N -0.095 120.471 120.500 0.109 0.000 2.585 87 R HA 0.264 4.596 4.340 -0.014 0.000 0.275 87 R C -0.855 175.498 176.300 0.089 0.000 1.018 87 R CA 0.651 56.840 56.100 0.148 0.000 1.072 87 R CB 0.038 30.451 30.300 0.189 0.000 0.953 87 R HN 0.508 nan 8.270 nan 0.000 0.419 88 I N 2.693 123.324 120.570 0.101 0.000 2.390 88 I HA 0.065 4.227 4.170 -0.014 0.000 0.283 88 I C 1.227 177.394 176.117 0.082 0.000 1.016 88 I CA -0.240 61.106 61.300 0.077 0.000 1.151 88 I CB 1.583 39.630 38.000 0.079 0.000 1.293 88 I HN 0.682 nan 8.210 nan 0.000 0.458 89 E N 2.602 122.832 120.200 0.051 0.000 2.085 89 E HA -0.210 4.132 4.350 -0.014 0.000 0.194 89 E C 2.006 178.639 176.600 0.056 0.000 0.994 89 E CA 1.930 58.352 56.400 0.037 0.000 0.801 89 E CB 0.211 29.907 29.700 -0.007 0.000 0.743 89 E HN 0.784 nan 8.360 nan 0.000 0.453 90 S N 0.235 115.968 115.700 0.054 0.000 2.500 90 S HA -0.086 4.376 4.470 -0.014 0.000 0.239 90 S C 1.422 176.071 174.600 0.081 0.000 0.989 90 S CA 0.863 59.100 58.200 0.061 0.000 0.951 90 S CB -0.019 63.212 63.200 0.051 0.000 0.759 90 S HN 0.107 nan 8.310 nan 0.000 0.523 91 K N 0.704 121.163 120.400 0.098 0.000 2.387 91 K HA 0.212 4.523 4.320 -0.014 0.000 0.203 91 K C -0.620 176.072 176.600 0.153 0.000 1.030 91 K CA -0.011 56.349 56.287 0.123 0.000 1.099 91 K CB 1.023 33.599 32.500 0.126 0.000 0.863 91 K HN 0.203 nan 8.250 nan 0.000 0.529 92 T N 1.820 116.465 114.554 0.152 0.000 2.758 92 T HA 0.394 4.736 4.350 -0.014 0.000 0.285 92 T C -0.465 174.351 174.700 0.192 0.000 0.981 92 T CA -0.684 61.538 62.100 0.204 0.000 0.965 92 T CB 1.381 70.374 68.868 0.208 0.000 0.927 92 T HN 0.006 nan 8.240 nan 0.000 0.448 93 V N 1.293 121.346 119.914 0.230 0.000 3.078 93 V HA 0.780 4.892 4.120 -0.014 0.000 0.311 93 V C -1.121 175.102 176.094 0.214 0.000 1.138 93 V CA -1.230 61.172 62.300 0.169 0.000 1.007 93 V CB 1.967 33.847 31.823 0.094 0.000 1.045 93 V HN 0.822 nan 8.190 nan 0.000 0.432 94 I N 2.790 123.438 120.570 0.130 0.000 2.465 94 I HA 0.533 4.695 4.170 -0.014 0.000 0.291 94 I C -1.233 174.893 176.117 0.015 0.000 1.014 94 I CA -0.629 60.739 61.300 0.113 0.000 1.093 94 I CB 2.119 40.201 38.000 0.136 0.000 1.267 94 I HN 0.506 nan 8.210 nan 0.000 0.431 95 I N 5.407 125.935 120.570 -0.070 0.000 2.339 95 I HA 0.412 4.574 4.170 -0.014 0.000 0.290 95 I C 0.235 176.375 176.117 0.038 0.000 0.994 95 I CA 0.130 61.343 61.300 -0.144 0.000 1.191 95 I CB 1.687 39.519 38.000 -0.280 0.000 1.343 95 I HN 0.600 nan 8.210 nan 0.000 0.458 96 T N 1.019 115.716 114.554 0.238 0.000 2.883 96 T HA 0.302 4.644 4.350 -0.014 0.000 0.301 96 T C 0.457 175.382 174.700 0.376 0.000 1.158 96 T CA -0.752 61.516 62.100 0.280 0.000 1.007 96 T CB 1.621 70.654 68.868 0.275 0.000 1.186 96 T HN 0.582 nan 8.240 nan 0.000 0.499 97 Q N 0.085 120.011 119.800 0.209 0.000 2.112 97 Q HA -0.104 4.227 4.340 -0.014 0.000 0.206 97 Q C -0.001 176.138 176.000 0.232 0.000 0.987 97 Q CA 1.404 57.321 55.803 0.191 0.000 0.858 97 Q CB 0.184 28.978 28.738 0.092 0.000 0.905 97 Q HN 0.608 nan 8.270 nan 0.000 0.420 98 E N -0.007 120.267 120.200 0.123 0.000 2.187 98 E HA 0.033 4.375 4.350 -0.014 0.000 0.268 98 E C -0.250 176.127 176.600 -0.371 0.000 0.896 98 E CA -0.230 56.124 56.400 -0.077 0.000 0.766 98 E CB 1.747 31.393 29.700 -0.089 0.000 1.142 98 E HN 0.314 nan 8.360 nan 0.000 0.408 99 Q N 3.253 122.445 119.800 -1.013 0.000 2.096 99 Q HA -0.213 4.119 4.340 -0.014 0.000 0.204 99 Q C 1.832 177.440 176.000 -0.654 0.000 0.982 99 Q CA 1.914 56.742 55.803 -1.625 0.000 0.850 99 Q CB 0.083 27.796 28.738 -1.708 0.000 0.901 99 Q HN 0.465 nan 8.270 nan 0.000 0.422 100 R N -0.231 120.025 120.500 -0.407 0.000 2.200 100 R HA -0.140 4.192 4.340 -0.014 0.000 0.234 100 R C 0.861 177.083 176.300 -0.129 0.000 1.127 100 R CA 1.638 57.607 56.100 -0.220 0.000 0.989 100 R CB -0.213 29.989 30.300 -0.163 0.000 0.869 100 R HN 0.245 nan 8.270 nan 0.000 0.459 101 D N 0.224 120.557 120.400 -0.112 0.000 2.277 101 D HA -0.043 4.589 4.640 -0.014 0.000 0.208 101 D C 1.111 177.445 176.300 0.057 0.000 0.962 101 D CA 1.225 55.218 54.000 -0.010 0.000 0.865 101 D CB 0.231 41.033 40.800 0.004 0.000 0.939 101 D HN 0.289 nan 8.370 nan 0.000 0.510 102 T N -0.301 114.264 114.554 0.018 0.000 3.021 102 T HA 0.102 4.444 4.350 -0.014 0.000 0.245 102 T C 0.833 175.559 174.700 0.044 0.000 1.028 102 T CA 0.263 62.424 62.100 0.103 0.000 1.139 102 T CB 0.790 69.803 68.868 0.241 0.000 0.884 102 T HN 0.021 nan 8.240 nan 0.000 0.457 103 V N -0.729 119.167 119.914 -0.029 0.000 2.971 103 V HA 0.648 4.760 4.120 -0.014 0.000 0.309 103 V C -3.335 172.705 176.094 -0.090 0.000 1.130 103 V CA -3.317 58.953 62.300 -0.050 0.000 0.964 103 V CB 1.991 33.804 31.823 -0.017 0.000 1.029 103 V HN -0.152 nan 8.190 nan 0.000 0.427 104 P HA 0.258 nan 4.420 nan 0.000 0.269 104 P C -0.473 176.768 177.300 -0.099 0.000 1.209 104 P CA -0.079 62.964 63.100 -0.096 0.000 0.776 104 P CB 0.276 31.918 31.700 -0.096 0.000 0.876 105 I N 4.287 124.797 120.570 -0.101 0.000 2.421 105 I HA 0.172 4.334 4.170 -0.014 0.000 0.291 105 I C -1.947 174.121 176.117 -0.082 0.000 1.089 105 I CA -2.870 58.373 61.300 -0.095 0.000 1.354 105 I CB -0.421 37.521 38.000 -0.097 0.000 1.413 105 I HN 0.179 nan 8.210 nan 0.000 0.513 106 P HA 0.197 nan 4.420 nan 0.000 0.274 106 P C 0.702 177.962 177.300 -0.067 0.000 1.246 106 P CA -0.519 62.532 63.100 -0.082 0.000 0.795 106 P CB 1.321 32.976 31.700 -0.076 0.000 1.006 107 K N 0.502 120.860 120.400 -0.070 0.000 2.076 107 K HA -0.064 4.248 4.320 -0.014 0.000 0.204 107 K C 1.451 178.026 176.600 -0.042 0.000 1.051 107 K CA 1.816 58.070 56.287 -0.054 0.000 0.949 107 K CB 0.011 32.478 32.500 -0.054 0.000 0.726 107 K HN 0.544 nan 8.250 nan 0.000 0.443 108 S N -1.769 113.906 115.700 -0.042 0.000 2.748 108 S HA 0.310 4.772 4.470 -0.014 0.000 0.241 108 S C 0.487 175.075 174.600 -0.019 0.000 1.064 108 S CA 0.090 58.273 58.200 -0.028 0.000 0.892 108 S CB 1.120 64.305 63.200 -0.024 0.000 0.810 108 S HN 0.306 nan 8.310 nan 0.000 0.555 109 G N 1.658 110.447 108.800 -0.018 0.000 2.951 109 G HA2 0.074 4.026 3.960 -0.014 0.000 0.508 109 G HA3 0.074 4.026 3.960 -0.014 0.000 0.508 109 G C -1.011 173.877 174.900 -0.021 0.000 1.203 109 G CA -0.799 44.285 45.100 -0.026 0.000 1.209 109 G HN 0.499 nan 8.290 nan 0.000 0.552 110 Q N 1.318 121.113 119.800 -0.008 0.000 2.288 110 Q HA 0.578 4.910 4.340 -0.014 0.000 0.254 110 Q C 0.757 176.752 176.000 -0.007 0.000 0.932 110 Q CA -0.268 55.535 55.803 0.001 0.000 0.902 110 Q CB 0.971 29.718 28.738 0.015 0.000 1.203 110 Q HN 0.699 nan 8.270 nan 0.000 0.415 111 S N 2.635 118.332 115.700 -0.005 0.000 2.533 111 S HA 0.016 4.478 4.470 -0.014 0.000 0.282 111 S C 0.379 174.982 174.600 0.004 0.000 1.304 111 S CA 0.138 58.329 58.200 -0.016 0.000 1.063 111 S CB 0.664 63.857 63.200 -0.012 0.000 0.881 111 S HN 0.787 nan 8.310 nan 0.000 0.493 112 Q N 3.373 123.173 119.800 -0.001 0.000 2.247 112 Q HA 0.300 4.631 4.340 -0.014 0.000 0.211 112 Q C 0.683 176.694 176.000 0.019 0.000 0.861 112 Q CA 0.124 55.940 55.803 0.022 0.000 0.949 112 Q CB 0.245 29.021 28.738 0.064 0.000 1.115 112 Q HN 0.703 nan 8.270 nan 0.000 0.507 113 L N -0.319 120.906 121.223 0.002 0.000 2.700 113 L HA 0.360 4.692 4.340 -0.014 0.000 0.234 113 L C 0.654 177.563 176.870 0.066 0.000 1.156 113 L CA -0.223 54.625 54.840 0.013 0.000 0.946 113 L CB 0.660 42.657 42.059 -0.102 0.000 1.216 113 L HN 0.125 nan 8.230 nan 0.000 0.493 114 G N 0.319 109.150 108.800 0.051 0.000 2.337 114 G HA2 0.202 4.154 3.960 -0.014 0.000 0.298 114 G HA3 0.202 4.154 3.960 -0.014 0.000 0.298 114 G C -1.744 173.209 174.900 0.088 0.000 1.335 114 G CA -0.902 44.241 45.100 0.072 0.000 0.875 114 G HN -0.020 nan 8.290 nan 0.000 0.579 115 R N -0.405 120.168 120.500 0.120 0.000 2.539 115 R HA 0.441 4.773 4.340 -0.014 0.000 0.295 115 R C -1.417 175.007 176.300 0.208 0.000 1.138 115 R CA -0.796 55.392 56.100 0.148 0.000 0.936 115 R CB 1.071 31.437 30.300 0.110 0.000 1.182 115 R HN 0.688 nan 8.270 nan 0.000 0.459 116 W N 6.529 127.855 121.300 0.043 0.000 2.313 116 W HA 0.438 5.090 4.660 -0.014 0.000 0.328 116 W C -1.054 175.499 176.519 0.058 0.000 1.197 116 W CA -0.665 56.707 57.345 0.045 0.000 1.235 116 W CB 1.118 30.597 29.460 0.032 0.000 1.158 116 W HN 0.464 nan 8.180 nan 0.000 0.578 117 M N 5.962 125.128 119.600 -0.723 0.000 2.393 117 M HA 0.311 4.783 4.480 -0.014 0.000 0.299 117 M C -0.128 175.411 176.300 -1.267 0.000 1.103 117 M CA -0.590 54.234 55.300 -0.793 0.000 0.910 117 M CB 1.646 34.086 32.600 -0.267 0.000 1.659 117 M HN 0.571 nan 8.290 nan 0.000 0.445 118 S N 2.643 117.632 115.700 -1.184 0.000 2.584 118 S HA 0.146 4.607 4.470 -0.014 0.000 0.270 118 S C 0.565 175.001 174.600 -0.273 0.000 1.346 118 S CA -0.154 57.603 58.200 -0.740 0.000 1.018 118 S CB 0.839 63.834 63.200 -0.343 0.000 0.899 118 S HN 0.879 nan 8.310 nan 0.000 0.542 119 E N 1.227 121.368 120.200 -0.099 0.000 2.085 119 E HA -0.243 4.099 4.350 -0.014 0.000 0.194 119 E C 2.123 178.745 176.600 0.037 0.000 0.994 119 E CA 1.730 58.132 56.400 0.003 0.000 0.801 119 E CB -0.202 29.513 29.700 0.025 0.000 0.743 119 E HN 0.982 nan 8.360 nan 0.000 0.453 120 E N 1.131 121.336 120.200 0.009 0.000 2.077 120 E HA -0.225 4.117 4.350 -0.014 0.000 0.193 120 E C 1.441 178.040 176.600 -0.000 0.000 0.989 120 E CA 1.483 57.889 56.400 0.009 0.000 0.800 120 E CB -0.109 29.598 29.700 0.012 0.000 0.746 120 E HN 0.073 nan 8.360 nan 0.000 0.452 121 D N 0.037 120.426 120.400 -0.020 0.000 2.144 121 D HA -0.124 4.508 4.640 -0.014 0.000 0.200 121 D C 1.557 177.865 176.300 0.013 0.000 0.978 121 D CA 0.815 54.802 54.000 -0.020 0.000 0.833 121 D CB -0.317 40.449 40.800 -0.056 0.000 0.961 121 D HN 0.232 nan 8.370 nan 0.000 0.470 122 F N 1.893 121.793 119.950 -0.083 0.000 2.146 122 F HA -0.105 4.414 4.527 -0.014 0.000 0.298 122 F C 2.101 177.913 175.800 0.021 0.000 1.096 122 F CA 1.046 59.025 58.000 -0.036 0.000 1.275 122 F CB 0.138 39.097 39.000 -0.068 0.000 1.008 122 F HN -0.216 nan 8.300 nan 0.000 0.480 123 E N 0.838 120.991 120.200 -0.079 0.000 2.085 123 E HA -0.215 4.127 4.350 -0.014 0.000 0.194 123 E C 2.144 178.680 176.600 -0.107 0.000 0.994 123 E CA 1.329 57.655 56.400 -0.122 0.000 0.801 123 E CB -0.371 29.312 29.700 -0.028 0.000 0.743 123 E HN 0.502 nan 8.360 nan 0.000 0.453 124 K N 0.538 120.885 120.400 -0.088 0.000 2.057 124 K HA -0.074 4.238 4.320 -0.014 0.000 0.207 124 K C 2.209 178.736 176.600 -0.122 0.000 1.049 124 K CA 1.201 57.442 56.287 -0.076 0.000 0.931 124 K CB -0.167 32.302 32.500 -0.051 0.000 0.714 124 K HN 0.046 nan 8.250 nan 0.000 0.440 125 A N 1.184 123.898 122.820 -0.177 0.000 1.877 125 A HA -0.192 4.119 4.320 -0.014 0.000 0.216 125 A C 2.024 179.439 177.584 -0.281 0.000 1.186 125 A CA 1.277 53.189 52.037 -0.209 0.000 0.620 125 A CB -0.757 18.142 19.000 -0.167 0.000 0.822 125 A HN 0.350 nan 8.150 nan 0.000 0.443 126 F N 1.559 121.152 119.950 -0.594 0.000 2.095 126 F HA -0.225 4.294 4.527 -0.014 0.000 0.298 126 F C 1.991 177.674 175.800 -0.196 0.000 1.104 126 F CA 2.170 59.904 58.000 -0.442 0.000 1.232 126 F CB -0.212 38.395 39.000 -0.655 0.000 0.987 126 F HN 0.221 nan 8.300 nan 0.000 0.475 127 N N 0.564 119.233 118.700 -0.052 0.000 2.309 127 N HA -0.091 4.641 4.740 -0.014 0.000 0.182 127 N C 1.671 177.080 175.510 -0.169 0.000 1.018 127 N CA 1.175 54.179 53.050 -0.076 0.000 0.876 127 N CB -0.614 37.873 38.487 0.001 0.000 0.972 127 N HN 0.404 nan 8.380 nan 0.000 0.434 128 A N 0.030 122.726 122.820 -0.207 0.000 2.238 128 A HA 0.139 4.450 4.320 -0.014 0.000 0.208 128 A C 2.001 179.374 177.584 -0.352 0.000 1.177 128 A CA 0.411 52.317 52.037 -0.219 0.000 0.804 128 A CB 0.127 19.024 19.000 -0.172 0.000 0.823 128 A HN 0.158 nan 8.150 nan 0.000 0.482 129 R N -2.846 117.329 120.500 -0.542 0.000 2.342 129 R HA 0.304 4.636 4.340 -0.014 0.000 0.179 129 R C 1.258 177.007 176.300 -0.918 0.000 0.989 129 R CA 0.440 55.908 56.100 -1.054 0.000 1.125 129 R CB -0.147 29.110 30.300 -1.738 0.000 1.211 129 R HN 0.393 nan 8.270 nan 0.000 0.568 130 F N 1.766 121.260 119.950 -0.761 0.000 2.234 130 F HA 0.126 4.645 4.527 -0.014 0.000 0.296 130 F C -1.376 174.250 175.800 -0.291 0.000 1.089 130 F CA -0.291 57.401 58.000 -0.513 0.000 1.343 130 F CB -0.815 37.677 39.000 -0.846 0.000 1.040 130 F HN -0.199 nan 8.300 nan 0.000 0.498 131 P HA 0.068 nan 4.420 nan 0.000 0.260 131 P C 0.662 177.936 177.300 -0.044 0.000 1.185 131 P CA 1.507 64.573 63.100 -0.057 0.000 0.763 131 P CB 0.083 31.746 31.700 -0.061 0.000 0.776 132 G N 3.110 111.899 108.800 -0.018 0.000 2.166 132 G HA2 -0.390 3.562 3.960 -0.014 0.000 0.260 132 G HA3 -0.390 3.562 3.960 -0.014 0.000 0.260 132 G C 1.135 176.020 174.900 -0.025 0.000 0.986 132 G CA 0.319 45.407 45.100 -0.020 0.000 0.683 132 G HN 0.693 nan 8.290 nan 0.000 0.527 133 C N -1.463 117.827 119.300 -0.017 0.000 2.432 133 C HA 0.456 4.907 4.460 -0.014 0.000 0.282 133 C C 2.325 177.285 174.990 -0.050 0.000 1.388 133 C CA 1.336 60.341 59.018 -0.022 0.000 1.777 133 C CB -0.625 27.124 27.740 0.015 0.000 1.882 133 C HN 0.489 nan 8.230 nan 0.000 0.520 134 M N 0.318 119.896 119.600 -0.037 0.000 2.419 134 M HA 0.205 4.676 4.480 -0.014 0.000 0.252 134 M C 0.442 176.707 176.300 -0.059 0.000 1.143 134 M CA -0.179 55.090 55.300 -0.051 0.000 0.985 134 M CB -0.123 32.453 32.600 -0.039 0.000 1.489 134 M HN 0.095 nan 8.290 nan 0.000 0.484 135 K N 1.242 121.610 120.400 -0.054 0.000 2.511 135 K HA 0.110 4.422 4.320 -0.014 0.000 0.280 135 K C 1.143 177.703 176.600 -0.067 0.000 1.008 135 K CA 1.545 57.797 56.287 -0.058 0.000 1.050 135 K CB 0.007 32.480 32.500 -0.045 0.000 0.889 135 K HN 0.446 nan 8.250 nan 0.000 0.484 136 G N 3.201 111.947 108.800 -0.089 0.000 2.184 136 G HA2 -0.308 3.644 3.960 -0.014 0.000 0.264 136 G HA3 -0.308 3.644 3.960 -0.014 0.000 0.264 136 G C -0.027 174.825 174.900 -0.080 0.000 0.975 136 G CA 0.509 45.553 45.100 -0.092 0.000 0.642 136 G HN 0.600 nan 8.290 nan 0.000 0.536 137 R N -0.363 120.091 120.500 -0.075 0.000 2.828 137 R HA 0.620 4.951 4.340 -0.014 0.000 0.264 137 R C -0.490 175.775 176.300 -0.059 0.000 1.022 137 R CA -0.504 55.573 56.100 -0.039 0.000 1.021 137 R CB 1.007 31.291 30.300 -0.025 0.000 1.163 137 R HN 0.110 nan 8.270 nan 0.000 0.494 138 T N 2.241 116.764 114.554 -0.052 0.000 2.817 138 T HA 0.188 4.530 4.350 -0.014 0.000 0.293 138 T C 0.108 174.649 174.700 -0.266 0.000 0.964 138 T CA -0.247 61.736 62.100 -0.194 0.000 1.085 138 T CB 0.612 69.211 68.868 -0.448 0.000 0.921 138 T HN 0.340 nan 8.240 nan 0.000 0.502 139 M N 5.108 124.590 119.600 -0.196 0.000 2.108 139 M HA 0.325 4.796 4.480 -0.014 0.000 0.347 139 M C -1.446 174.761 176.300 -0.155 0.000 1.326 139 M CA -0.540 54.693 55.300 -0.111 0.000 1.126 139 M CB 0.020 32.575 32.600 -0.074 0.000 1.606 139 M HN 0.561 nan 8.290 nan 0.000 0.462 140 Y N 3.835 124.180 120.300 0.074 0.000 2.304 140 Y HA 0.380 4.922 4.550 -0.013 0.000 0.328 140 Y C -0.004 175.959 175.900 0.105 0.000 1.123 140 Y CA -0.579 57.580 58.100 0.099 0.000 1.218 140 Y CB 0.950 39.437 38.460 0.044 0.000 1.207 140 Y HN 0.356 nan 8.280 nan 0.000 0.495 141 V N 5.973 126.041 119.914 0.257 0.000 2.328 141 V HA 0.298 4.410 4.120 -0.014 0.000 0.278 141 V C -0.135 176.089 176.094 0.217 0.000 1.021 141 V CA -0.719 61.695 62.300 0.190 0.000 0.838 141 V CB 0.582 32.471 31.823 0.110 0.000 0.999 141 V HN 0.581 nan 8.190 nan 0.000 0.447 142 I N 8.024 128.738 120.570 0.240 0.000 2.337 142 I HA 0.360 4.522 4.170 -0.014 0.000 0.285 142 I C -2.475 173.831 176.117 0.314 0.000 1.041 142 I CA -1.905 59.543 61.300 0.248 0.000 1.199 142 I CB 1.965 40.095 38.000 0.216 0.000 1.370 142 I HN 0.417 nan 8.210 nan 0.000 0.470 143 P HA 0.330 nan 4.420 nan 0.000 0.293 143 P C -1.069 176.357 177.300 0.210 0.000 1.300 143 P CA -0.227 62.950 63.100 0.129 0.000 0.792 143 P CB 0.468 32.185 31.700 0.029 0.000 0.925 144 F N -0.315 119.663 119.950 0.047 0.000 2.601 144 F HA 0.726 5.244 4.527 -0.014 0.000 0.309 144 F C -0.729 175.090 175.800 0.031 0.000 1.089 144 F CA -1.321 56.694 58.000 0.024 0.000 0.940 144 F CB 1.341 40.352 39.000 0.019 0.000 1.273 144 F HN 0.157 nan 8.300 nan 0.000 0.450 145 S N 3.735 119.491 115.700 0.093 0.000 2.462 145 S HA 0.612 5.074 4.470 -0.014 0.000 0.294 145 S C -0.490 174.116 174.600 0.010 0.000 1.144 145 S CA -0.786 57.411 58.200 -0.005 0.000 1.088 145 S CB 0.541 63.721 63.200 -0.033 0.000 1.009 145 S HN 0.617 nan 8.310 nan 0.000 0.484 146 M N 4.596 124.132 119.600 -0.108 0.000 2.111 146 M HA 0.440 4.912 4.480 -0.014 0.000 0.351 146 M C 0.692 176.773 176.300 -0.364 0.000 1.214 146 M CA 0.119 55.228 55.300 -0.318 0.000 1.120 146 M CB -0.435 31.797 32.600 -0.612 0.000 1.443 146 M HN 1.016 nan 8.290 nan 0.000 0.429 147 G N 5.408 114.012 108.800 -0.327 0.000 2.497 147 G HA2 -0.022 3.930 3.960 -0.014 0.000 0.686 147 G HA3 -0.022 3.930 3.960 -0.014 0.000 0.686 147 G C -3.407 171.367 174.900 -0.211 0.000 1.288 147 G CA -1.401 43.532 45.100 -0.277 0.000 0.899 147 G HN 0.361 nan 8.290 nan 0.000 0.608 148 P HA 0.209 nan 4.420 nan 0.000 0.266 148 P C 1.668 178.874 177.300 -0.156 0.000 1.195 148 P CA -0.364 62.596 63.100 -0.234 0.000 0.768 148 P CB 0.509 32.052 31.700 -0.261 0.000 0.838 149 L N 2.644 123.786 121.223 -0.135 0.000 1.978 149 L HA -0.239 4.093 4.340 -0.014 0.000 0.218 149 L C 2.303 179.126 176.870 -0.078 0.000 1.075 149 L CA 2.481 57.266 54.840 -0.092 0.000 0.767 149 L CB -1.147 40.865 42.059 -0.078 0.000 0.890 149 L HN 0.601 nan 8.230 nan 0.000 0.434 150 G N -1.653 107.095 108.800 -0.085 0.000 2.679 150 G HA2 -0.141 3.811 3.960 -0.014 0.000 0.212 150 G HA3 -0.141 3.811 3.960 -0.014 0.000 0.212 150 G C 0.796 175.652 174.900 -0.073 0.000 1.137 150 G CA 0.244 45.302 45.100 -0.071 0.000 0.787 150 G HN 0.292 nan 8.290 nan 0.000 0.534 151 S N 0.948 116.595 115.700 -0.088 0.000 2.516 151 S HA 0.248 4.710 4.470 -0.014 0.000 0.282 151 S C -0.953 173.600 174.600 -0.078 0.000 1.286 151 S CA -1.053 57.091 58.200 -0.092 0.000 1.066 151 S CB 1.291 64.424 63.200 -0.113 0.000 0.884 151 S HN -0.009 nan 8.310 nan 0.000 0.491 152 P HA 0.005 nan 4.420 nan 0.000 0.228 152 P C 0.618 177.841 177.300 -0.128 0.000 1.151 152 P CA 0.855 63.903 63.100 -0.087 0.000 0.770 152 P CB 0.103 31.753 31.700 -0.083 0.000 0.786 153 L N -2.525 118.617 121.223 -0.136 0.000 2.554 153 L HA 0.229 4.561 4.340 -0.014 0.000 0.225 153 L C 1.203 178.046 176.870 -0.045 0.000 1.104 153 L CA -0.387 54.338 54.840 -0.192 0.000 0.866 153 L CB -0.370 41.591 42.059 -0.164 0.000 1.047 153 L HN -0.135 nan 8.230 nan 0.000 0.468 154 A N 0.690 123.507 122.820 -0.005 0.000 2.386 154 A HA 0.445 4.757 4.320 -0.014 0.000 0.248 154 A C -0.051 177.636 177.584 0.172 0.000 1.082 154 A CA 0.026 52.110 52.037 0.078 0.000 0.789 154 A CB 0.405 19.390 19.000 -0.024 0.000 1.025 154 A HN 0.013 nan 8.150 nan 0.000 0.490 155 K N 0.781 121.362 120.400 0.302 0.000 2.426 155 K HA 0.595 4.907 4.320 -0.014 0.000 0.251 155 K C -1.305 175.439 176.600 0.241 0.000 0.941 155 K CA -0.320 56.168 56.287 0.335 0.000 0.808 155 K CB 2.130 34.989 32.500 0.598 0.000 1.265 155 K HN 0.627 nan 8.250 nan 0.000 0.432 156 I N 0.680 121.385 120.570 0.225 0.000 2.460 156 I HA 0.457 4.619 4.170 -0.014 0.000 0.298 156 I C 0.532 176.695 176.117 0.076 0.000 0.989 156 I CA -0.522 60.810 61.300 0.054 0.000 1.173 156 I CB 2.100 40.108 38.000 0.013 0.000 1.338 156 I HN 0.642 nan 8.210 nan 0.000 0.456 157 G N 6.036 114.591 108.800 -0.409 0.000 2.569 157 G HA2 0.739 4.691 3.960 -0.014 0.000 0.300 157 G HA3 0.739 4.691 3.960 -0.014 0.000 0.300 157 G C -1.180 173.408 174.900 -0.521 0.000 1.269 157 G CA -0.411 44.393 45.100 -0.494 0.000 0.959 157 G HN 0.306 nan 8.290 nan 0.000 0.478 158 I N 0.759 121.323 120.570 -0.010 0.000 2.447 158 I HA 0.358 4.519 4.170 -0.014 0.000 0.287 158 I C -0.482 175.953 176.117 0.530 0.000 1.023 158 I CA -0.688 60.737 61.300 0.208 0.000 1.083 158 I CB 1.630 39.702 38.000 0.119 0.000 1.245 158 I HN 0.646 nan 8.210 nan 0.000 0.434 159 E N 7.143 127.706 120.200 0.604 0.000 2.151 159 E HA 0.553 4.895 4.350 -0.014 0.000 0.275 159 E C -1.439 175.383 176.600 0.370 0.000 0.936 159 E CA -0.600 56.108 56.400 0.513 0.000 0.777 159 E CB 1.440 31.375 29.700 0.393 0.000 1.108 159 E HN 0.500 nan 8.360 nan 0.000 0.401 160 L N 3.896 125.320 121.223 0.335 0.000 2.275 160 L HA 0.480 4.811 4.340 -0.014 0.000 0.288 160 L C 0.205 177.228 176.870 0.254 0.000 1.046 160 L CA -0.449 54.512 54.840 0.201 0.000 0.805 160 L CB 1.665 43.734 42.059 0.016 0.000 1.193 160 L HN 0.527 nan 8.230 nan 0.000 0.426 161 T N -0.453 114.254 114.554 0.256 0.000 2.894 161 T HA 0.282 4.624 4.350 -0.014 0.000 0.309 161 T C -0.481 174.383 174.700 0.274 0.000 1.208 161 T CA -0.621 61.661 62.100 0.304 0.000 1.016 161 T CB 1.568 70.646 68.868 0.350 0.000 1.192 161 T HN 0.725 nan 8.240 nan 0.000 0.491 162 D N 1.051 121.561 120.400 0.184 0.000 2.368 162 D HA 0.220 4.852 4.640 -0.014 0.000 0.218 162 D C 0.297 176.704 176.300 0.178 0.000 1.112 162 D CA -0.203 53.896 54.000 0.164 0.000 0.834 162 D CB 0.242 41.052 40.800 0.017 0.000 0.953 162 D HN 0.238 nan 8.370 nan 0.000 0.505 163 S N 0.655 116.457 115.700 0.170 0.000 2.498 163 S HA 0.408 4.870 4.470 -0.014 0.000 0.324 163 S C -1.946 172.597 174.600 -0.096 0.000 1.071 163 S CA -1.510 56.718 58.200 0.046 0.000 1.113 163 S CB 1.609 64.848 63.200 0.065 0.000 0.976 163 S HN -0.257 nan 8.310 nan 0.000 0.462 164 P HA -0.113 nan 4.420 nan 0.000 0.216 164 P C 0.969 178.146 177.300 -0.204 0.000 1.150 164 P CA 0.821 63.693 63.100 -0.380 0.000 0.837 164 P CB -0.084 31.491 31.700 -0.209 0.000 0.786 165 Y N 0.433 120.612 120.300 -0.201 0.000 2.151 165 Y HA -0.246 4.296 4.550 -0.013 0.000 0.284 165 Y C 2.032 177.852 175.900 -0.133 0.000 1.166 165 Y CA 1.445 59.467 58.100 -0.130 0.000 1.163 165 Y CB -1.008 37.395 38.460 -0.095 0.000 0.974 165 Y HN -0.275 nan 8.280 nan 0.000 0.511 166 V N -0.756 119.138 119.914 -0.034 0.000 2.287 166 V HA -0.338 3.774 4.120 -0.014 0.000 0.248 166 V C 2.368 178.324 176.094 -0.230 0.000 1.053 166 V CA 1.783 63.991 62.300 -0.153 0.000 1.027 166 V CB -0.913 30.854 31.823 -0.094 0.000 0.646 166 V HN 0.387 nan 8.190 nan 0.000 0.447 167 V N 0.363 120.135 119.914 -0.236 0.000 2.287 167 V HA -0.304 3.808 4.120 -0.014 0.000 0.248 167 V C 2.715 178.694 176.094 -0.193 0.000 1.053 167 V CA 2.240 64.398 62.300 -0.237 0.000 1.027 167 V CB -1.257 30.332 31.823 -0.391 0.000 0.646 167 V HN 0.572 nan 8.190 nan 0.000 0.447 168 A N -0.319 122.389 122.820 -0.186 0.000 1.902 168 A HA -0.202 4.110 4.320 -0.014 0.000 0.217 168 A C 2.464 179.971 177.584 -0.129 0.000 1.181 168 A CA 2.333 54.348 52.037 -0.037 0.000 0.623 168 A CB -0.694 18.257 19.000 -0.081 0.000 0.818 168 A HN 0.531 nan 8.150 nan 0.000 0.443 169 S N -0.423 115.092 115.700 -0.307 0.000 2.387 169 S HA -0.074 4.388 4.470 -0.014 0.000 0.226 169 S C 1.951 176.369 174.600 -0.304 0.000 1.026 169 S CA 1.394 59.388 58.200 -0.342 0.000 0.972 169 S CB -0.271 62.610 63.200 -0.531 0.000 0.814 169 S HN 0.456 nan 8.310 nan 0.000 0.477 170 M N 1.177 120.595 119.600 -0.303 0.000 2.229 170 M HA 0.009 4.481 4.480 -0.014 0.000 0.264 170 M C 2.170 178.322 176.300 -0.247 0.000 1.063 170 M CA 1.074 56.190 55.300 -0.307 0.000 1.114 170 M CB -0.994 31.416 32.600 -0.317 0.000 1.387 170 M HN 0.281 nan 8.290 nan 0.000 0.420 171 R N 0.542 120.904 120.500 -0.230 0.000 2.120 171 R HA -0.093 4.239 4.340 -0.014 0.000 0.234 171 R C 1.942 178.082 176.300 -0.267 0.000 1.123 171 R CA 1.179 57.127 56.100 -0.254 0.000 0.975 171 R CB -0.083 29.994 30.300 -0.371 0.000 0.866 171 R HN 0.331 nan 8.270 nan 0.000 0.446 172 I N -0.072 120.344 120.570 -0.256 0.000 2.277 172 I HA -0.195 3.967 4.170 -0.014 0.000 0.243 172 I C 1.975 177.986 176.117 -0.176 0.000 1.094 172 I CA 0.719 61.898 61.300 -0.201 0.000 1.393 172 I CB -0.065 37.848 38.000 -0.145 0.000 1.078 172 I HN 0.151 nan 8.210 nan 0.000 0.417 173 M N 0.285 119.765 119.600 -0.201 0.000 2.506 173 M HA 0.076 4.548 4.480 -0.014 0.000 0.260 173 M C 0.987 177.172 176.300 -0.192 0.000 1.104 173 M CA 0.740 55.918 55.300 -0.203 0.000 1.112 173 M CB -1.023 31.421 32.600 -0.261 0.000 1.401 173 M HN 0.337 nan 8.290 nan 0.000 0.473 174 T N -1.707 112.739 114.554 -0.180 0.000 2.864 174 T HA 0.648 4.990 4.350 -0.014 0.000 0.289 174 T C -0.420 174.241 174.700 -0.065 0.000 1.082 174 T CA -0.984 61.048 62.100 -0.113 0.000 1.009 174 T CB 2.087 70.895 68.868 -0.100 0.000 1.234 174 T HN -0.014 nan 8.240 nan 0.000 0.526 175 R N 1.082 121.572 120.500 -0.017 0.000 2.216 175 R HA 0.539 4.870 4.340 -0.014 0.000 0.332 175 R C -0.187 176.138 176.300 0.041 0.000 1.056 175 R CA -0.306 55.785 56.100 -0.015 0.000 0.901 175 R CB 0.522 30.799 30.300 -0.037 0.000 1.039 175 R HN 0.550 nan 8.270 nan 0.000 0.456 176 M N 2.276 121.885 119.600 0.014 0.000 2.393 176 M HA 0.621 5.093 4.480 -0.014 0.000 0.316 176 M C -0.075 176.242 176.300 0.029 0.000 1.087 176 M CA -0.029 55.300 55.300 0.048 0.000 0.937 176 M CB 1.872 34.472 32.600 -0.000 0.000 1.668 176 M HN 0.741 nan 8.290 nan 0.000 0.438 177 G N 2.386 111.218 108.800 0.053 0.000 2.298 177 G HA2 -0.129 3.823 3.960 -0.014 0.000 0.309 177 G HA3 -0.129 3.823 3.960 -0.014 0.000 0.309 177 G C 0.043 174.957 174.900 0.024 0.000 1.279 177 G CA -0.067 45.056 45.100 0.039 0.000 1.042 177 G HN 0.558 nan 8.290 nan 0.000 0.480 178 T N 1.068 115.631 114.554 0.016 0.000 2.746 178 T HA -0.120 4.222 4.350 -0.014 0.000 0.267 178 T C 2.913 177.610 174.700 -0.005 0.000 1.039 178 T CA 3.279 65.382 62.100 0.004 0.000 1.142 178 T CB -0.657 68.212 68.868 0.002 0.000 0.866 178 T HN 1.538 nan 8.240 nan 0.000 0.444 179 S N 1.447 117.144 115.700 -0.006 0.000 2.387 179 S HA -0.137 4.325 4.470 -0.014 0.000 0.230 179 S C 2.131 176.721 174.600 -0.017 0.000 1.035 179 S CA 1.288 59.480 58.200 -0.013 0.000 1.014 179 S CB -1.040 62.150 63.200 -0.017 0.000 0.836 179 S HN 0.338 nan 8.310 nan 0.000 0.466 180 V N 2.240 122.146 119.914 -0.013 0.000 2.270 180 V HA -0.090 4.022 4.120 -0.014 0.000 0.245 180 V C 2.604 178.678 176.094 -0.033 0.000 1.043 180 V CA 1.758 64.046 62.300 -0.021 0.000 1.014 180 V CB -0.940 30.879 31.823 -0.008 0.000 0.645 180 V HN 0.445 nan 8.190 nan 0.000 0.447 181 L N -0.192 121.011 121.223 -0.033 0.000 2.043 181 L HA -0.256 4.076 4.340 -0.014 0.000 0.212 181 L C 2.622 179.471 176.870 -0.034 0.000 1.075 181 L CA 1.880 56.692 54.840 -0.046 0.000 0.752 181 L CB -0.611 41.426 42.059 -0.036 0.000 0.891 181 L HN 0.429 nan 8.230 nan 0.000 0.432 182 E N -0.225 119.961 120.200 -0.023 0.000 2.072 182 E HA -0.178 4.164 4.350 -0.014 0.000 0.191 182 E C 2.293 178.882 176.600 -0.017 0.000 0.985 182 E CA 1.026 57.415 56.400 -0.018 0.000 0.801 182 E CB -0.155 29.537 29.700 -0.014 0.000 0.750 182 E HN 0.503 nan 8.360 nan 0.000 0.452 183 A N 1.124 123.932 122.820 -0.020 0.000 1.969 183 A HA -0.141 4.171 4.320 -0.014 0.000 0.218 183 A C 2.132 179.708 177.584 -0.014 0.000 1.169 183 A CA 0.850 52.876 52.037 -0.019 0.000 0.635 183 A CB -0.373 18.613 19.000 -0.024 0.000 0.810 183 A HN 0.215 nan 8.150 nan 0.000 0.445 184 L N -0.810 120.401 121.223 -0.019 0.000 2.027 184 L HA 0.209 4.541 4.340 -0.014 0.000 0.206 184 L C 1.682 178.557 176.870 0.008 0.000 1.074 184 L CA 1.896 56.731 54.840 -0.008 0.000 0.745 184 L CB -1.139 40.894 42.059 -0.043 0.000 0.898 184 L HN 0.719 nan 8.230 nan 0.000 0.433 185 G N -0.566 108.233 108.800 -0.001 0.000 2.596 185 G HA2 -0.390 3.562 3.960 -0.014 0.000 0.295 185 G HA3 -0.390 3.562 3.960 -0.014 0.000 0.295 185 G C 0.414 175.332 174.900 0.030 0.000 1.240 185 G CA 0.403 45.508 45.100 0.010 0.000 0.985 185 G HN 0.391 nan 8.290 nan 0.000 0.555 186 D N 2.270 122.693 120.400 0.038 0.000 2.352 186 D HA 0.328 4.960 4.640 -0.014 0.000 0.236 186 D C 1.422 177.767 176.300 0.074 0.000 1.148 186 D CA 0.922 54.958 54.000 0.059 0.000 0.844 186 D CB -0.429 40.397 40.800 0.043 0.000 0.933 186 D HN 0.687 nan 8.370 nan 0.000 0.507 187 G N 0.255 109.101 108.800 0.077 0.000 2.651 187 G HA2 0.126 4.078 3.960 -0.014 0.000 0.260 187 G HA3 0.126 4.078 3.960 -0.014 0.000 0.260 187 G C 0.219 175.201 174.900 0.136 0.000 1.216 187 G CA -0.473 44.675 45.100 0.080 0.000 0.913 187 G HN 0.024 nan 8.290 nan 0.000 0.535 188 E N -0.957 119.291 120.200 0.080 0.000 2.349 188 E HA 0.466 4.808 4.350 -0.014 0.000 0.265 188 E C -0.739 175.934 176.600 0.122 0.000 1.064 188 E CA 0.054 56.469 56.400 0.025 0.000 0.886 188 E CB 1.166 30.833 29.700 -0.055 0.000 1.036 188 E HN 0.399 nan 8.360 nan 0.000 0.413 189 F N -0.860 119.038 119.950 -0.087 0.000 2.662 189 F HA 0.496 5.014 4.527 -0.014 0.000 0.312 189 F C -1.290 174.392 175.800 -0.198 0.000 1.113 189 F CA -1.421 56.510 58.000 -0.115 0.000 0.951 189 F CB 0.689 39.617 39.000 -0.121 0.000 1.344 189 F HN 0.095 nan 8.300 nan 0.000 0.462 190 I N 2.411 122.931 120.570 -0.083 0.000 2.342 190 I HA 0.278 4.439 4.170 -0.014 0.000 0.291 190 I C -0.235 175.786 176.117 -0.160 0.000 1.010 190 I CA -0.711 60.401 61.300 -0.314 0.000 1.308 190 I CB 1.260 38.835 38.000 -0.708 0.000 1.400 190 I HN 0.647 nan 8.210 nan 0.000 0.488 191 K N 5.334 125.525 120.400 -0.347 0.000 2.285 191 K HA 0.368 4.679 4.320 -0.014 0.000 0.286 191 K C -0.993 175.566 176.600 -0.068 0.000 1.072 191 K CA -0.207 55.796 56.287 -0.474 0.000 0.913 191 K CB 0.620 32.616 32.500 -0.840 0.000 1.067 191 K HN 0.552 nan 8.250 nan 0.000 0.479 192 C N 4.486 123.934 119.300 0.246 0.000 2.301 192 C HA 0.433 4.885 4.460 -0.014 0.000 0.323 192 C C -0.748 174.541 174.990 0.497 0.000 1.265 192 C CA -1.084 58.146 59.018 0.353 0.000 1.503 192 C CB -0.166 27.825 27.740 0.417 0.000 2.195 192 C HN 0.678 nan 8.230 nan 0.000 0.477 193 L N 4.840 126.310 121.223 0.412 0.000 2.325 193 L HA 0.609 4.941 4.340 -0.014 0.000 0.281 193 L C -0.494 176.642 176.870 0.442 0.000 1.004 193 L CA 0.232 55.303 54.840 0.385 0.000 0.823 193 L CB 0.577 42.794 42.059 0.263 0.000 1.236 193 L HN 0.830 nan 8.230 nan 0.000 0.415 194 H N 3.445 122.711 119.070 0.326 0.000 2.679 194 H HA 0.640 5.188 4.556 -0.013 0.000 0.360 194 H C -1.857 173.631 175.328 0.266 0.000 1.105 194 H CA -0.411 55.823 56.048 0.311 0.000 1.196 194 H CB 2.077 31.955 29.762 0.194 0.000 1.636 194 H HN 0.662 nan 8.280 nan 0.000 0.531 195 S N 3.420 118.825 115.700 -0.492 0.000 2.548 195 S HA 0.194 4.656 4.470 -0.014 0.000 0.276 195 S C 1.056 175.068 174.600 -0.980 0.000 1.129 195 S CA -0.246 57.565 58.200 -0.649 0.000 0.931 195 S CB 1.172 64.165 63.200 -0.345 0.000 1.068 195 S HN 0.573 nan 8.310 nan 0.000 0.480 196 V N 2.255 121.728 119.914 -0.735 0.000 2.913 196 V HA 0.305 4.416 4.120 -0.014 0.000 0.260 196 V C 1.473 177.136 176.094 -0.718 0.000 1.098 196 V CA 1.222 63.176 62.300 -0.576 0.000 1.121 196 V CB -1.462 30.134 31.823 -0.379 0.000 0.714 196 V HN 1.885 nan 8.190 nan 0.000 0.487 197 G N -0.657 107.608 108.800 -0.892 0.000 2.182 197 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.248 197 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.248 197 G C -0.024 174.664 174.900 -0.353 0.000 1.042 197 G CA 0.007 44.541 45.100 -0.944 0.000 0.775 197 G HN 0.866 nan 8.290 nan 0.000 0.501 198 C N 1.999 121.141 119.300 -0.264 0.000 3.335 198 C HA 0.432 4.883 4.460 -0.014 0.000 0.217 198 C C -1.368 173.555 174.990 -0.110 0.000 1.330 198 C CA -1.525 57.403 59.018 -0.150 0.000 1.470 198 C CB 0.493 28.147 27.740 -0.145 0.000 1.806 198 C HN 0.514 nan 8.230 nan 0.000 0.468 199 P HA 0.159 nan 4.420 nan 0.000 0.269 199 P C -0.655 176.615 177.300 -0.052 0.000 1.209 199 P CA 0.413 63.475 63.100 -0.064 0.000 0.776 199 P CB 1.003 32.674 31.700 -0.048 0.000 0.876 200 L N 4.071 125.266 121.223 -0.047 0.000 2.334 200 L HA 0.392 4.724 4.340 -0.014 0.000 0.277 200 L C -1.600 175.250 176.870 -0.033 0.000 1.075 200 L CA -2.132 52.686 54.840 -0.037 0.000 0.804 200 L CB 0.566 42.605 42.059 -0.034 0.000 1.174 200 L HN 0.285 nan 8.230 nan 0.000 0.438 201 P HA 0.130 nan 4.420 nan 0.000 0.275 201 P C -0.656 176.631 177.300 -0.022 0.000 1.227 201 P CA -0.414 62.673 63.100 -0.021 0.000 0.781 201 P CB 0.702 32.393 31.700 -0.015 0.000 0.906 202 L N 3.247 124.457 121.223 -0.021 0.000 2.584 202 L HA 0.002 4.334 4.340 -0.014 0.000 0.272 202 L C 1.815 178.675 176.870 -0.017 0.000 1.195 202 L CA 0.306 55.132 54.840 -0.023 0.000 0.920 202 L CB -0.058 41.989 42.059 -0.020 0.000 1.173 202 L HN 0.413 nan 8.230 nan 0.000 0.489 203 K N 2.547 122.936 120.400 -0.018 0.000 2.243 203 K HA 0.060 4.372 4.320 -0.014 0.000 0.201 203 K C 0.219 176.814 176.600 -0.008 0.000 1.051 203 K CA 0.880 57.159 56.287 -0.012 0.000 0.970 203 K CB 0.260 32.752 32.500 -0.013 0.000 0.755 203 K HN 0.519 nan 8.250 nan 0.000 0.465 204 K N 0.791 121.186 120.400 -0.009 0.000 2.395 204 K HA 0.337 4.648 4.320 -0.014 0.000 0.247 204 K C -2.748 173.851 176.600 -0.002 0.000 0.973 204 K CA -2.146 54.139 56.287 -0.003 0.000 0.828 204 K CB 1.580 34.080 32.500 -0.000 0.000 1.272 204 K HN -0.247 nan 8.250 nan 0.000 0.439 205 P HA 0.004 nan 4.420 nan 0.000 0.266 205 P C -1.098 176.209 177.300 0.012 0.000 1.195 205 P CA -0.405 62.700 63.100 0.008 0.000 0.768 205 P CB 0.366 32.073 31.700 0.011 0.000 0.838 206 L N 4.596 125.827 121.223 0.014 0.000 2.265 206 L HA 0.263 4.595 4.340 -0.014 0.000 0.288 206 L C -0.750 176.144 176.870 0.041 0.000 1.058 206 L CA -0.217 54.637 54.840 0.024 0.000 0.809 206 L CB 0.837 42.905 42.059 0.014 0.000 1.179 206 L HN 0.065 nan 8.230 nan 0.000 0.429 207 V N 5.866 125.819 119.914 0.065 0.000 2.394 207 V HA 0.319 4.431 4.120 -0.014 0.000 0.282 207 V C 0.582 176.738 176.094 0.103 0.000 1.031 207 V CA -0.582 61.758 62.300 0.067 0.000 0.881 207 V CB 0.965 32.824 31.823 0.060 0.000 0.982 207 V HN 0.959 nan 8.190 nan 0.000 0.451 208 N N 3.864 122.607 118.700 0.071 0.000 2.708 208 N HA -0.247 4.485 4.740 -0.014 0.000 0.249 208 N C 0.250 175.848 175.510 0.146 0.000 1.097 208 N CA 0.607 53.706 53.050 0.081 0.000 0.710 208 N CB -1.074 37.442 38.487 0.048 0.000 1.032 208 N HN 0.978 nan 8.380 nan 0.000 0.551 209 N N -2.096 116.677 118.700 0.121 0.000 2.708 209 N HA -0.219 4.513 4.740 -0.014 0.000 0.249 209 N C -1.246 174.371 175.510 0.178 0.000 1.097 209 N CA 1.295 54.413 53.050 0.114 0.000 0.710 209 N CB -0.584 37.959 38.487 0.094 0.000 1.032 209 N HN 0.591 nan 8.380 nan 0.000 0.551 210 W N 1.119 122.407 121.300 -0.020 0.000 2.466 210 W HA 0.676 5.328 4.660 -0.014 0.000 0.303 210 W C -0.504 175.995 176.519 -0.033 0.000 0.999 210 W CA -0.895 56.430 57.345 -0.033 0.000 1.437 210 W CB 0.520 29.965 29.460 -0.025 0.000 1.274 210 W HN 0.072 nan 8.180 nan 0.000 0.417 211 A N 5.152 127.759 122.820 -0.355 0.000 2.492 211 A HA 0.491 4.803 4.320 -0.014 0.000 0.254 211 A C -0.026 177.354 177.584 -0.340 0.000 1.091 211 A CA 0.594 52.459 52.037 -0.287 0.000 0.768 211 A CB -0.363 18.470 19.000 -0.278 0.000 1.028 211 A HN 0.878 nan 8.150 nan 0.000 0.498 212 C N 0.581 119.795 119.300 -0.143 0.000 3.312 212 C HA 0.725 5.176 4.460 -0.014 0.000 0.332 212 C C -0.694 174.251 174.990 -0.075 0.000 1.340 212 C CA -1.020 57.946 59.018 -0.088 0.000 1.265 212 C CB 0.799 28.609 27.740 0.116 0.000 1.563 212 C HN 0.899 nan 8.230 nan 0.000 0.471 213 N N 1.061 119.705 118.700 -0.093 0.000 2.790 213 N HA 0.413 5.145 4.740 -0.014 0.000 0.256 213 N C -2.128 173.397 175.510 0.025 0.000 1.409 213 N CA -1.389 51.632 53.050 -0.047 0.000 0.799 213 N CB 1.337 39.762 38.487 -0.102 0.000 1.170 213 N HN 0.526 nan 8.380 nan 0.000 0.507 214 P HA -0.143 nan 4.420 nan 0.000 0.216 214 P C 0.537 177.881 177.300 0.074 0.000 1.150 214 P CA 1.273 64.414 63.100 0.069 0.000 0.843 214 P CB 0.362 32.100 31.700 0.063 0.000 0.787 215 E N -0.954 119.285 120.200 0.066 0.000 2.150 215 E HA -0.044 4.297 4.350 -0.014 0.000 0.193 215 E C 1.461 178.109 176.600 0.079 0.000 0.985 215 E CA 0.815 57.252 56.400 0.063 0.000 0.814 215 E CB -0.577 29.151 29.700 0.046 0.000 0.752 215 E HN 0.248 nan 8.360 nan 0.000 0.466 216 L N 0.505 121.800 121.223 0.119 0.000 2.769 216 L HA 0.174 4.506 4.340 -0.014 0.000 0.240 216 L C 0.097 177.118 176.870 0.252 0.000 1.163 216 L CA -0.238 54.697 54.840 0.159 0.000 0.962 216 L CB 0.335 42.520 42.059 0.209 0.000 1.258 216 L HN -0.091 nan 8.230 nan 0.000 0.513 217 T N 2.169 116.840 114.554 0.196 0.000 2.867 217 T HA 0.271 4.613 4.350 -0.014 0.000 0.297 217 T C -0.435 174.393 174.700 0.214 0.000 0.989 217 T CA 0.540 62.764 62.100 0.207 0.000 1.159 217 T CB 0.742 69.698 68.868 0.147 0.000 0.928 217 T HN -0.024 nan 8.240 nan 0.000 0.538 218 L N 5.363 126.749 121.223 0.272 0.000 2.562 218 L HA 0.575 4.907 4.340 -0.014 0.000 0.266 218 L C -1.759 175.293 176.870 0.302 0.000 0.949 218 L CA -0.458 54.542 54.840 0.267 0.000 0.879 218 L CB 1.585 43.808 42.059 0.273 0.000 1.278 218 L HN 0.501 nan 8.230 nan 0.000 0.404 219 I N 5.139 125.852 120.570 0.240 0.000 2.390 219 I HA 0.777 4.939 4.170 -0.014 0.000 0.283 219 I C 0.107 176.263 176.117 0.064 0.000 1.016 219 I CA -0.070 61.338 61.300 0.179 0.000 1.151 219 I CB 1.577 39.691 38.000 0.190 0.000 1.293 219 I HN 0.693 nan 8.210 nan 0.000 0.458 220 A N 5.006 127.804 122.820 -0.038 0.000 2.340 220 A HA 0.889 5.200 4.320 -0.014 0.000 0.331 220 A C -1.111 176.196 177.584 -0.461 0.000 1.140 220 A CA -0.525 51.408 52.037 -0.174 0.000 0.801 220 A CB 0.577 19.441 19.000 -0.226 0.000 1.234 220 A HN 0.698 nan 8.150 nan 0.000 0.469 221 H N 0.279 119.278 119.070 -0.119 0.000 2.589 221 H HA 0.585 5.133 4.556 -0.014 0.000 0.351 221 H C -1.374 173.853 175.328 -0.169 0.000 1.074 221 H CA -0.458 55.537 56.048 -0.088 0.000 1.203 221 H CB 1.398 31.163 29.762 0.005 0.000 1.558 221 H HN 0.384 nan 8.280 nan 0.000 0.522 222 L N 5.031 126.206 121.223 -0.080 0.000 2.495 222 L HA 0.290 4.622 4.340 -0.014 0.000 0.248 222 L C -1.774 175.047 176.870 -0.081 0.000 1.229 222 L CA -1.178 53.585 54.840 -0.129 0.000 0.942 222 L CB 1.429 43.354 42.059 -0.224 0.000 1.242 222 L HN 0.531 nan 8.230 nan 0.000 0.484 223 P HA -0.153 nan 4.420 nan 0.000 0.218 223 P C 0.460 177.713 177.300 -0.078 0.000 1.149 223 P CA 1.271 64.343 63.100 -0.048 0.000 0.817 223 P CB 0.464 32.154 31.700 -0.016 0.000 0.785 224 D N -0.454 119.906 120.400 -0.067 0.000 2.317 224 D HA -0.033 4.599 4.640 -0.014 0.000 0.211 224 D C 1.825 178.069 176.300 -0.095 0.000 0.966 224 D CA 0.647 54.603 54.000 -0.073 0.000 0.876 224 D CB -0.028 40.744 40.800 -0.047 0.000 0.927 224 D HN 0.288 nan 8.370 nan 0.000 0.519 225 R N 0.173 120.606 120.500 -0.112 0.000 2.362 225 R HA 0.141 4.473 4.340 -0.014 0.000 0.227 225 R C -0.018 176.171 176.300 -0.183 0.000 0.905 225 R CA -0.297 55.720 56.100 -0.138 0.000 1.067 225 R CB 0.689 30.909 30.300 -0.133 0.000 1.078 225 R HN -0.147 nan 8.270 nan 0.000 0.516 226 R N 1.385 121.777 120.500 -0.180 0.000 3.336 226 R HA -0.168 4.164 4.340 -0.014 0.000 0.260 226 R C -1.135 175.012 176.300 -0.254 0.000 1.032 226 R CA 0.909 56.873 56.100 -0.228 0.000 0.693 226 R CB -2.335 27.796 30.300 -0.281 0.000 1.134 226 R HN 0.477 nan 8.270 nan 0.000 0.433 227 E N -0.045 120.041 120.200 -0.189 0.000 2.293 227 E HA 0.615 4.957 4.350 -0.014 0.000 0.270 227 E C -0.172 176.367 176.600 -0.102 0.000 0.879 227 E CA -0.904 55.401 56.400 -0.158 0.000 0.756 227 E CB 1.946 31.559 29.700 -0.144 0.000 1.208 227 E HN 0.099 nan 8.360 nan 0.000 0.428 228 I N 3.245 123.788 120.570 -0.045 0.000 2.465 228 I HA 0.436 4.597 4.170 -0.014 0.000 0.291 228 I C -0.704 175.447 176.117 0.058 0.000 1.014 228 I CA -0.549 60.735 61.300 -0.026 0.000 1.093 228 I CB 1.410 39.434 38.000 0.040 0.000 1.267 228 I HN 0.336 nan 8.210 nan 0.000 0.431 229 I N 4.902 125.503 120.570 0.052 0.000 2.468 229 I HA 0.302 4.464 4.170 -0.014 0.000 0.284 229 I C -0.468 175.862 176.117 0.355 0.000 1.038 229 I CA -0.206 61.232 61.300 0.230 0.000 1.083 229 I CB 1.882 40.059 38.000 0.294 0.000 1.223 229 I HN 0.456 nan 8.210 nan 0.000 0.443 230 S N 6.577 122.561 115.700 0.474 0.000 2.502 230 S HA 0.724 5.186 4.470 -0.014 0.000 0.304 230 S C -1.316 173.644 174.600 0.600 0.000 1.097 230 S CA -0.371 58.121 58.200 0.487 0.000 1.045 230 S CB 1.147 64.587 63.200 0.400 0.000 1.019 230 S HN 0.406 nan 8.310 nan 0.000 0.481 231 F N 3.188 123.297 119.950 0.264 0.000 2.569 231 F HA 0.645 5.164 4.527 -0.014 0.000 0.312 231 F C 0.813 176.604 175.800 -0.015 0.000 1.109 231 F CA 0.556 58.544 58.000 -0.019 0.000 0.919 231 F CB 1.734 40.607 39.000 -0.212 0.000 1.211 231 F HN 0.832 nan 8.300 nan 0.000 0.446 232 G N 2.578 111.004 108.800 -0.624 0.000 2.234 232 G HA2 -0.194 3.758 3.960 -0.014 0.000 0.235 232 G HA3 -0.194 3.758 3.960 -0.014 0.000 0.235 232 G C -0.086 174.748 174.900 -0.110 0.000 0.997 232 G CA 0.131 45.000 45.100 -0.386 0.000 0.623 232 G HN 1.052 nan 8.290 nan 0.000 0.514 233 S N -0.027 115.696 115.700 0.039 0.000 2.482 233 S HA 0.634 5.096 4.470 -0.014 0.000 0.303 233 S C 1.084 175.854 174.600 0.283 0.000 1.091 233 S CA 0.756 59.068 58.200 0.187 0.000 1.057 233 S CB 1.550 64.895 63.200 0.241 0.000 1.031 233 S HN 1.362 nan 8.310 nan 0.000 0.485 234 G N 2.540 111.507 108.800 0.278 0.000 3.189 234 G HA2 0.165 4.117 3.960 -0.014 0.000 0.225 234 G HA3 0.165 4.117 3.960 -0.014 0.000 0.225 234 G C -0.313 174.822 174.900 0.391 0.000 1.159 234 G CA -0.046 45.158 45.100 0.173 0.000 0.763 234 G HN 0.674 nan 8.290 nan 0.000 0.549 235 Y N 1.167 121.686 120.300 0.365 0.000 2.330 235 Y HA 0.438 4.980 4.550 -0.014 0.000 0.336 235 Y C 1.512 177.566 175.900 0.256 0.000 1.036 235 Y CA 0.257 58.574 58.100 0.361 0.000 1.125 235 Y CB 1.339 39.950 38.460 0.252 0.000 1.194 235 Y HN 0.286 nan 8.280 nan 0.000 0.469 236 G N 3.729 112.538 108.800 0.015 0.000 2.689 236 G HA2 -0.466 3.485 3.960 -0.014 0.000 0.371 236 G HA3 -0.466 3.485 3.960 -0.014 0.000 0.371 236 G C 1.412 176.320 174.900 0.013 0.000 1.062 236 G CA 1.009 46.123 45.100 0.023 0.000 0.873 236 G HN 1.271 nan 8.290 nan 0.000 0.697 237 G N 0.011 108.935 108.800 0.207 0.000 2.509 237 G HA2 -0.078 3.874 3.960 -0.014 0.000 0.218 237 G HA3 -0.078 3.874 3.960 -0.014 0.000 0.218 237 G C 1.488 176.491 174.900 0.171 0.000 1.124 237 G CA 1.394 46.589 45.100 0.159 0.000 0.776 237 G HN 0.571 nan 8.290 nan 0.000 0.547 238 N N 0.470 119.293 118.700 0.204 0.000 2.416 238 N HA -0.039 4.693 4.740 -0.014 0.000 0.177 238 N C 2.269 177.846 175.510 0.111 0.000 1.036 238 N CA 1.352 54.520 53.050 0.198 0.000 0.901 238 N CB 0.296 38.933 38.487 0.249 0.000 0.976 238 N HN 0.501 nan 8.380 nan 0.000 0.444 239 S N -0.526 115.160 115.700 -0.023 0.000 2.670 239 S HA 0.226 4.688 4.470 -0.014 0.000 0.241 239 S C 0.638 175.025 174.600 -0.355 0.000 1.077 239 S CA -0.396 57.577 58.200 -0.378 0.000 0.899 239 S CB -0.018 62.970 63.200 -0.353 0.000 0.835 239 S HN 0.008 nan 8.310 nan 0.000 0.481 240 L N 3.276 124.356 121.223 -0.240 0.000 2.401 240 L HA 0.386 4.718 4.340 -0.014 0.000 0.283 240 L C 0.684 177.444 176.870 -0.184 0.000 1.151 240 L CA -0.261 54.407 54.840 -0.286 0.000 0.942 240 L CB 0.268 42.076 42.059 -0.418 0.000 1.283 240 L HN 0.257 nan 8.230 nan 0.000 0.442 241 L N 2.019 123.168 121.223 -0.122 0.000 2.478 241 L HA -0.006 4.326 4.340 -0.014 0.000 0.223 241 L C 2.388 179.365 176.870 0.179 0.000 1.140 241 L CA 0.684 55.565 54.840 0.067 0.000 0.842 241 L CB -0.317 41.841 42.059 0.165 0.000 0.953 241 L HN 0.783 nan 8.230 nan 0.000 0.452 242 G N 0.449 109.238 108.800 -0.017 0.000 2.402 242 G HA2 -0.296 3.656 3.960 -0.014 0.000 0.216 242 G HA3 -0.296 3.656 3.960 -0.014 0.000 0.216 242 G C 1.623 176.545 174.900 0.036 0.000 1.162 242 G CA 0.681 45.813 45.100 0.053 0.000 0.777 242 G HN 0.193 nan 8.290 nan 0.000 0.539 243 K N 0.204 120.562 120.400 -0.069 0.000 2.020 243 K HA -0.126 4.186 4.320 -0.014 0.000 0.212 243 K C 2.062 178.647 176.600 -0.025 0.000 1.050 243 K CA 1.616 57.849 56.287 -0.090 0.000 0.929 243 K CB 0.063 32.453 32.500 -0.183 0.000 0.714 243 K HN 0.174 nan 8.250 nan 0.000 0.443 244 K N -1.990 118.437 120.400 0.045 0.000 2.567 244 K HA 0.173 4.485 4.320 -0.014 0.000 0.199 244 K C 2.219 178.941 176.600 0.205 0.000 1.412 244 K CA 0.648 56.952 56.287 0.028 0.000 1.020 244 K CB -0.520 32.001 32.500 0.036 0.000 1.487 244 K HN 0.118 nan 8.250 nan 0.000 0.531 245 C N 1.530 121.018 119.300 0.314 0.000 2.413 245 C HA -0.076 4.376 4.460 -0.014 0.000 0.276 245 C C 2.479 177.752 174.990 0.471 0.000 1.236 245 C CA 0.700 60.005 59.018 0.479 0.000 1.735 245 C CB -0.810 27.178 27.740 0.413 0.000 2.031 245 C HN 0.342 nan 8.230 nan 0.000 0.474 246 F N 1.844 121.965 119.950 0.286 0.000 2.123 246 F HA 0.229 4.748 4.527 -0.013 0.000 0.289 246 F C 2.411 178.442 175.800 0.386 0.000 1.099 246 F CA 1.115 59.313 58.000 0.330 0.000 1.234 246 F CB -1.260 37.972 39.000 0.387 0.000 1.034 246 F HN 0.123 nan 8.300 nan 0.000 0.479 247 A N 0.216 123.384 122.820 0.581 0.000 1.978 247 A HA -0.113 4.199 4.320 -0.014 0.000 0.220 247 A C 2.203 180.143 177.584 0.593 0.000 1.170 247 A CA 2.143 54.511 52.037 0.552 0.000 0.636 247 A CB -0.727 18.383 19.000 0.183 0.000 0.810 247 A HN 0.500 nan 8.150 nan 0.000 0.448 248 L N -3.185 118.245 121.223 0.344 0.000 2.588 248 L HA 0.140 4.472 4.340 -0.014 0.000 0.194 248 L C 2.686 179.679 176.870 0.206 0.000 1.070 248 L CA 0.114 55.093 54.840 0.231 0.000 0.852 248 L CB -0.344 41.721 42.059 0.010 0.000 1.199 248 L HN 0.171 nan 8.230 nan 0.000 0.486 249 R N 0.391 120.994 120.500 0.171 0.000 2.055 249 R HA -0.014 4.318 4.340 -0.014 0.000 0.228 249 R C 2.161 178.526 176.300 0.109 0.000 1.143 249 R CA 1.079 57.223 56.100 0.074 0.000 0.945 249 R CB -0.144 30.034 30.300 -0.204 0.000 0.841 249 R HN 0.166 nan 8.270 nan 0.000 0.429 250 I N 1.167 121.833 120.570 0.161 0.000 2.202 250 I HA -0.177 3.985 4.170 -0.014 0.000 0.242 250 I C 2.577 178.740 176.117 0.076 0.000 1.091 250 I CA 1.288 62.650 61.300 0.103 0.000 1.368 250 I CB -1.393 36.631 38.000 0.040 0.000 1.058 250 I HN 0.154 nan 8.210 nan 0.000 0.410 251 A N 1.113 124.045 122.820 0.187 0.000 1.933 251 A HA -0.208 4.104 4.320 -0.014 0.000 0.218 251 A C 2.528 179.941 177.584 -0.286 0.000 1.175 251 A CA 2.290 54.319 52.037 -0.014 0.000 0.628 251 A CB -0.822 18.226 19.000 0.079 0.000 0.814 251 A HN 0.572 nan 8.150 nan 0.000 0.444 252 S N -0.851 114.822 115.700 -0.046 0.000 2.399 252 S HA -0.148 4.314 4.470 -0.014 0.000 0.231 252 S C 2.065 176.638 174.600 -0.044 0.000 1.022 252 S CA 1.101 59.320 58.200 0.031 0.000 0.983 252 S CB -0.366 63.036 63.200 0.336 0.000 0.803 252 S HN 0.458 nan 8.310 nan 0.000 0.480 253 R N 1.279 121.742 120.500 -0.061 0.000 2.073 253 R HA 0.228 4.559 4.340 -0.014 0.000 0.229 253 R C 2.300 178.364 176.300 -0.394 0.000 1.120 253 R CA 1.067 57.008 56.100 -0.266 0.000 0.967 253 R CB -1.074 29.164 30.300 -0.103 0.000 0.862 253 R HN 0.519 nan 8.270 nan 0.000 0.436 254 L N 0.034 121.054 121.223 -0.338 0.000 2.046 254 L HA -0.149 4.183 4.340 -0.014 0.000 0.208 254 L C 2.617 179.110 176.870 -0.628 0.000 1.077 254 L CA 1.427 56.069 54.840 -0.330 0.000 0.747 254 L CB -0.666 41.312 42.059 -0.135 0.000 0.896 254 L HN 0.145 nan 8.230 nan 0.000 0.432 255 A N 0.120 122.234 122.820 -1.178 0.000 1.877 255 A HA -0.258 4.054 4.320 -0.014 0.000 0.216 255 A C 2.436 179.490 177.584 -0.882 0.000 1.186 255 A CA 1.965 52.967 52.037 -1.725 0.000 0.620 255 A CB -0.495 17.565 19.000 -1.567 0.000 0.822 255 A HN 0.318 nan 8.150 nan 0.000 0.443 256 K N -0.134 119.760 120.400 -0.842 0.000 2.032 256 K HA -0.219 4.093 4.320 -0.014 0.000 0.209 256 K C 1.886 178.126 176.600 -0.599 0.000 1.048 256 K CA 1.887 57.552 56.287 -1.037 0.000 0.927 256 K CB -0.223 31.584 32.500 -1.155 0.000 0.712 256 K HN 0.654 nan 8.250 nan 0.000 0.441 257 E N -0.029 119.903 120.200 -0.447 0.000 2.106 257 E HA -0.166 4.176 4.350 -0.014 0.000 0.192 257 E C 1.438 177.961 176.600 -0.129 0.000 0.984 257 E CA 1.262 57.513 56.400 -0.248 0.000 0.806 257 E CB 0.138 29.718 29.700 -0.200 0.000 0.750 257 E HN 0.440 nan 8.360 nan 0.000 0.458 258 E N -1.158 118.974 120.200 -0.113 0.000 2.489 258 E HA 0.136 4.477 4.350 -0.014 0.000 0.204 258 E C 0.580 177.300 176.600 0.199 0.000 1.006 258 E CA 0.274 56.730 56.400 0.094 0.000 0.936 258 E CB 1.287 31.166 29.700 0.300 0.000 1.002 258 E HN 0.284 nan 8.360 nan 0.000 0.488 259 G N 1.685 110.564 108.800 0.131 0.000 2.140 259 G HA2 -0.177 3.775 3.960 -0.014 0.000 0.211 259 G HA3 -0.177 3.775 3.960 -0.014 0.000 0.211 259 G C -0.186 174.904 174.900 0.317 0.000 1.013 259 G CA 0.253 45.503 45.100 0.251 0.000 0.705 259 G HN 0.240 nan 8.290 nan 0.000 0.508 260 W N -1.127 120.250 121.300 0.128 0.000 3.518 260 W HA 0.848 5.500 4.660 -0.014 0.000 0.331 260 W C -0.753 175.818 176.519 0.087 0.000 1.205 260 W CA -1.649 55.726 57.345 0.050 0.000 0.956 260 W CB 0.692 30.141 29.460 -0.018 0.000 1.645 260 W HN 0.125 nan 8.180 nan 0.000 0.615 261 L N 1.428 122.816 121.223 0.275 0.000 2.410 261 L HA 0.689 5.021 4.340 -0.014 0.000 0.270 261 L C -0.406 176.618 176.870 0.257 0.000 0.983 261 L CA -1.021 53.877 54.840 0.097 0.000 0.822 261 L CB 1.807 43.830 42.059 -0.060 0.000 1.285 261 L HN 0.554 nan 8.230 nan 0.000 0.409 262 A N 2.686 125.592 122.820 0.144 0.000 2.285 262 A HA 0.786 5.098 4.320 -0.014 0.000 0.310 262 A C -0.718 177.133 177.584 0.444 0.000 1.266 262 A CA -0.497 51.714 52.037 0.289 0.000 0.832 262 A CB 0.662 19.643 19.000 -0.032 0.000 1.163 262 A HN 0.610 nan 8.150 nan 0.000 0.499 263 E N 0.706 121.218 120.200 0.521 0.000 2.343 263 E HA 0.194 4.536 4.350 -0.014 0.000 0.270 263 E C -0.972 175.889 176.600 0.434 0.000 0.895 263 E CA -0.610 56.100 56.400 0.517 0.000 0.767 263 E CB 1.502 31.560 29.700 0.596 0.000 1.248 263 E HN 0.779 nan 8.360 nan 0.000 0.440 264 H N 2.359 121.587 119.070 0.264 0.000 2.970 264 H HA 0.279 4.827 4.556 -0.013 0.000 0.226 264 H C -0.665 174.749 175.328 0.144 0.000 1.909 264 H CA -0.004 56.131 56.048 0.145 0.000 1.388 264 H CB -0.146 29.694 29.762 0.131 0.000 1.773 264 H HN 0.190 nan 8.280 nan 0.000 0.559 265 M N 3.781 123.481 119.600 0.167 0.000 2.393 265 M HA 0.174 4.646 4.480 -0.014 0.000 0.299 265 M C -0.754 175.565 176.300 0.032 0.000 1.103 265 M CA -1.350 53.976 55.300 0.043 0.000 0.910 265 M CB 2.602 35.275 32.600 0.122 0.000 1.659 265 M HN 0.278 nan 8.290 nan 0.000 0.445 266 L N 1.559 122.754 121.223 -0.047 0.000 2.464 266 L HA 0.693 5.024 4.340 -0.014 0.000 0.264 266 L C -1.009 175.892 176.870 0.051 0.000 1.199 266 L CA 0.185 55.035 54.840 0.017 0.000 0.818 266 L CB 0.216 42.273 42.059 -0.005 0.000 1.102 266 L HN 0.580 nan 8.230 nan 0.000 0.473 267 I N 2.916 123.550 120.570 0.107 0.000 2.499 267 I HA 0.525 4.687 4.170 -0.014 0.000 0.288 267 I C -0.929 175.301 176.117 0.188 0.000 1.048 267 I CA -0.690 60.699 61.300 0.148 0.000 1.062 267 I CB 1.833 39.927 38.000 0.157 0.000 1.238 267 I HN 0.708 nan 8.210 nan 0.000 0.426 268 L N 3.390 124.737 121.223 0.207 0.000 2.371 268 L HA 1.046 5.377 4.340 -0.014 0.000 0.262 268 L C -0.275 176.706 176.870 0.185 0.000 1.006 268 L CA -0.477 54.478 54.840 0.191 0.000 0.818 268 L CB 1.716 43.849 42.059 0.124 0.000 1.354 268 L HN 0.514 nan 8.230 nan 0.000 0.415 269 G N 1.550 110.374 108.800 0.040 0.000 2.368 269 G HA2 0.660 4.612 3.960 -0.014 0.000 0.320 269 G HA3 0.660 4.612 3.960 -0.014 0.000 0.320 269 G C -1.294 173.534 174.900 -0.120 0.000 1.158 269 G CA -0.497 44.387 45.100 -0.359 0.000 0.912 269 G HN 0.910 nan 8.290 nan 0.000 0.456 270 I N 1.820 122.358 120.570 -0.052 0.000 2.436 270 I HA 0.568 4.730 4.170 -0.014 0.000 0.289 270 I C -0.574 175.669 176.117 0.209 0.000 1.010 270 I CA -0.458 60.935 61.300 0.155 0.000 1.098 270 I CB 1.997 40.176 38.000 0.297 0.000 1.266 270 I HN 0.385 nan 8.210 nan 0.000 0.434 271 T N 6.082 120.709 114.554 0.123 0.000 2.807 271 T HA 0.364 4.706 4.350 -0.014 0.000 0.279 271 T C -0.306 174.181 174.700 -0.354 0.000 0.993 271 T CA -0.750 61.330 62.100 -0.034 0.000 0.970 271 T CB 1.079 69.913 68.868 -0.056 0.000 0.950 271 T HN 0.723 nan 8.240 nan 0.000 0.441 272 N N 2.982 121.211 118.700 -0.785 0.000 2.379 272 N HA 0.285 5.017 4.740 -0.014 0.000 0.260 272 N C -2.243 172.669 175.510 -0.998 0.000 1.254 272 N CA -2.202 49.881 53.050 -1.613 0.000 0.958 272 N CB -0.197 37.207 38.487 -1.806 0.000 1.208 272 N HN 0.091 nan 8.380 nan 0.000 0.532 273 P HA -0.108 nan 4.420 nan 0.000 0.221 273 P C 0.453 177.552 177.300 -0.335 0.000 1.145 273 P CA 1.404 64.186 63.100 -0.530 0.000 0.795 273 P CB 0.175 31.627 31.700 -0.413 0.000 0.775 274 E N -1.621 118.374 120.200 -0.342 0.000 2.463 274 E HA 0.185 4.527 4.350 -0.014 0.000 0.193 274 E C 0.978 177.483 176.600 -0.159 0.000 1.041 274 E CA 0.302 56.581 56.400 -0.201 0.000 0.879 274 E CB -0.429 29.177 29.700 -0.158 0.000 0.997 274 E HN 0.110 nan 8.360 nan 0.000 0.478 275 G N 1.905 110.586 108.800 -0.198 0.000 2.176 275 G HA2 -0.315 3.636 3.960 -0.014 0.000 0.253 275 G HA3 -0.315 3.636 3.960 -0.014 0.000 0.253 275 G C 0.265 175.127 174.900 -0.064 0.000 0.979 275 G CA 0.304 45.332 45.100 -0.120 0.000 0.641 275 G HN 0.231 nan 8.290 nan 0.000 0.530 276 K N 0.768 121.137 120.400 -0.052 0.000 2.322 276 K HA 0.490 4.802 4.320 -0.014 0.000 0.283 276 K C 0.141 176.871 176.600 0.216 0.000 1.042 276 K CA -0.259 56.090 56.287 0.103 0.000 0.958 276 K CB 0.438 33.065 32.500 0.211 0.000 0.984 276 K HN 0.210 nan 8.250 nan 0.000 0.473 277 K N 3.604 124.110 120.400 0.177 0.000 2.324 277 K HA 0.327 4.639 4.320 -0.014 0.000 0.253 277 K C -1.260 175.374 176.600 0.056 0.000 0.932 277 K CA -0.705 55.658 56.287 0.127 0.000 0.799 277 K CB 1.190 33.688 32.500 -0.004 0.000 1.154 277 K HN 0.453 nan 8.250 nan 0.000 0.425 278 K N 2.347 122.754 120.400 0.011 0.000 2.435 278 K HA 0.334 4.646 4.320 -0.014 0.000 0.251 278 K C -1.513 175.002 176.600 -0.142 0.000 0.954 278 K CA -0.869 55.369 56.287 -0.081 0.000 0.820 278 K CB 1.652 34.004 32.500 -0.247 0.000 1.292 278 K HN 0.370 nan 8.250 nan 0.000 0.436 279 Y N 1.199 121.531 120.300 0.053 0.000 2.360 279 Y HA 0.488 5.033 4.550 -0.010 0.000 0.337 279 Y C -0.211 175.728 175.900 0.066 0.000 1.039 279 Y CA -0.792 57.351 58.100 0.072 0.000 1.109 279 Y CB 1.253 39.749 38.460 0.061 0.000 1.201 279 Y HN 0.175 nan 8.280 nan 0.000 0.458 280 L N 2.710 124.065 121.223 0.221 0.000 2.370 280 L HA 0.912 5.244 4.340 -0.014 0.000 0.266 280 L C -0.575 176.374 176.870 0.131 0.000 1.002 280 L CA -1.179 53.754 54.840 0.154 0.000 0.818 280 L CB 2.093 44.224 42.059 0.121 0.000 1.325 280 L HN 0.687 nan 8.230 nan 0.000 0.418 281 A N 1.806 124.678 122.820 0.087 0.000 2.340 281 A HA 0.958 5.270 4.320 -0.014 0.000 0.331 281 A C -0.799 176.737 177.584 -0.079 0.000 1.140 281 A CA -0.450 51.610 52.037 0.039 0.000 0.801 281 A CB 1.693 20.742 19.000 0.083 0.000 1.234 281 A HN 0.787 nan 8.150 nan 0.000 0.469 282 A N 0.750 123.456 122.820 -0.191 0.000 2.408 282 A HA 0.744 5.056 4.320 -0.014 0.000 0.295 282 A C -0.326 176.902 177.584 -0.593 0.000 1.040 282 A CA 0.155 51.899 52.037 -0.488 0.000 0.707 282 A CB 1.145 19.735 19.000 -0.683 0.000 1.235 282 A HN 2.236 nan 8.150 nan 0.000 0.418 283 A N 2.424 124.950 122.820 -0.490 0.000 2.273 283 A HA 0.761 5.073 4.320 -0.014 0.000 0.320 283 A C -1.098 176.357 177.584 -0.215 0.000 1.358 283 A CA -0.188 51.711 52.037 -0.229 0.000 0.910 283 A CB -0.347 18.781 19.000 0.214 0.000 1.159 283 A HN 0.651 nan 8.150 nan 0.000 0.526 284 F N 2.274 122.188 119.950 -0.061 0.000 2.546 284 F HA 0.603 5.121 4.527 -0.015 0.000 0.320 284 F C -2.311 173.444 175.800 -0.076 0.000 1.076 284 F CA -2.902 55.059 58.000 -0.066 0.000 0.928 284 F CB 1.331 40.296 39.000 -0.058 0.000 1.189 284 F HN 0.280 nan 8.300 nan 0.000 0.465 285 P HA 0.106 nan 4.420 nan 0.000 0.271 285 P C -0.527 176.868 177.300 0.158 0.000 1.244 285 P CA -0.318 62.882 63.100 0.166 0.000 0.793 285 P CB 0.387 32.135 31.700 0.080 0.000 0.984 286 S N 0.619 116.449 115.700 0.217 0.000 2.558 286 S HA 0.260 4.722 4.470 -0.014 0.000 0.293 286 S C 0.982 175.618 174.600 0.059 0.000 1.292 286 S CA 0.839 59.137 58.200 0.164 0.000 1.063 286 S CB -0.752 62.555 63.200 0.179 0.000 0.831 286 S HN 0.720 nan 8.310 nan 0.000 0.499 287 A N 0.988 123.832 122.820 0.040 0.000 2.899 287 A HA -0.194 4.118 4.320 -0.014 0.000 0.257 287 A C 1.043 178.595 177.584 -0.053 0.000 1.335 287 A CA 0.772 52.804 52.037 -0.009 0.000 0.924 287 A CB -2.462 16.513 19.000 -0.042 0.000 1.105 287 A HN 0.867 nan 8.150 nan 0.000 0.765 288 C N -1.308 117.987 119.300 -0.009 0.000 3.243 288 C HA 0.589 5.041 4.460 -0.014 0.000 0.286 288 C C 1.915 176.965 174.990 0.099 0.000 1.373 288 C CA 0.355 59.329 59.018 -0.073 0.000 1.749 288 C CB -0.466 27.198 27.740 -0.127 0.000 2.313 288 C HN 2.344 nan 8.230 nan 0.000 0.644 289 G N 1.328 110.244 108.800 0.193 0.000 2.148 289 G HA2 -0.175 3.777 3.960 -0.014 0.000 0.157 289 G HA3 -0.175 3.777 3.960 -0.014 0.000 0.157 289 G C 0.787 175.918 174.900 0.384 0.000 1.012 289 G CA 0.148 45.401 45.100 0.255 0.000 0.677 289 G HN 0.457 nan 8.290 nan 0.000 0.506 290 K N -0.207 120.439 120.400 0.410 0.000 1.985 290 K HA -0.075 4.237 4.320 -0.014 0.000 0.210 290 K C 2.594 179.297 176.600 0.171 0.000 1.047 290 K CA 1.985 58.459 56.287 0.312 0.000 0.932 290 K CB -0.343 32.230 32.500 0.122 0.000 0.716 290 K HN 0.304 nan 8.250 nan 0.000 0.439 291 T N 0.985 115.603 114.554 0.107 0.000 2.720 291 T HA -0.168 4.174 4.350 -0.014 0.000 0.268 291 T C 1.680 176.401 174.700 0.035 0.000 1.037 291 T CA 1.742 63.859 62.100 0.028 0.000 1.144 291 T CB -0.397 68.479 68.868 0.015 0.000 0.864 291 T HN 0.303 nan 8.240 nan 0.000 0.444 292 N N 0.452 119.209 118.700 0.096 0.000 2.084 292 N HA -0.065 4.667 4.740 -0.014 0.000 0.190 292 N C 1.686 177.246 175.510 0.082 0.000 1.030 292 N CA 0.809 53.919 53.050 0.100 0.000 0.849 292 N CB -0.296 38.274 38.487 0.138 0.000 1.012 292 N HN 0.158 nan 8.380 nan 0.000 0.423 293 L N 0.268 121.576 121.223 0.142 0.000 2.093 293 L HA 0.100 4.432 4.340 -0.014 0.000 0.208 293 L C 2.046 178.979 176.870 0.105 0.000 1.085 293 L CA 1.572 56.506 54.840 0.157 0.000 0.755 293 L CB -0.745 41.532 42.059 0.363 0.000 0.904 293 L HN 0.215 nan 8.230 nan 0.000 0.435 294 A N -0.058 122.813 122.820 0.084 0.000 1.972 294 A HA -0.129 4.182 4.320 -0.014 0.000 0.219 294 A C 1.805 179.391 177.584 0.003 0.000 1.169 294 A CA 1.804 53.869 52.037 0.046 0.000 0.635 294 A CB -0.590 18.422 19.000 0.021 0.000 0.810 294 A HN 0.607 nan 8.150 nan 0.000 0.446 295 M N -2.272 117.309 119.600 -0.032 0.000 2.911 295 M HA 0.488 4.960 4.480 -0.014 0.000 0.381 295 M C 0.055 176.340 176.300 -0.025 0.000 1.287 295 M CA -0.271 54.997 55.300 -0.054 0.000 0.858 295 M CB -0.002 32.511 32.600 -0.144 0.000 1.385 295 M HN 0.203 nan 8.290 nan 0.000 0.504 296 M N 2.583 122.184 119.600 0.001 0.000 2.249 296 M HA 0.092 4.564 4.480 -0.014 0.000 0.340 296 M C -0.410 175.887 176.300 -0.004 0.000 1.166 296 M CA 1.016 56.316 55.300 0.000 0.000 1.115 296 M CB 0.494 33.092 32.600 -0.004 0.000 1.606 296 M HN 0.580 nan 8.290 nan 0.000 0.448 297 N N 6.370 125.062 118.700 -0.013 0.000 2.527 297 N HA 0.390 5.122 4.740 -0.014 0.000 0.236 297 N C -2.481 173.018 175.510 -0.019 0.000 0.999 297 N CA -1.696 51.345 53.050 -0.014 0.000 0.935 297 N CB 0.918 39.390 38.487 -0.025 0.000 1.132 297 N HN 0.392 nan 8.380 nan 0.000 0.511 298 P HA 0.020 nan 4.420 nan 0.000 0.268 298 P C 0.721 178.012 177.300 -0.016 0.000 1.204 298 P CA -0.063 63.029 63.100 -0.013 0.000 0.768 298 P CB 1.127 32.855 31.700 0.046 0.000 0.842 299 T N 0.287 114.809 114.554 -0.053 0.000 3.014 299 T HA 0.061 4.403 4.350 -0.014 0.000 0.263 299 T C 1.024 175.713 174.700 -0.019 0.000 1.078 299 T CA 0.191 62.262 62.100 -0.049 0.000 1.135 299 T CB -0.391 68.425 68.868 -0.087 0.000 0.895 299 T HN 0.203 nan 8.240 nan 0.000 0.480 300 L N 3.010 124.220 121.223 -0.023 0.000 2.418 300 L HA 0.304 4.636 4.340 -0.014 0.000 0.274 300 L C -2.312 174.672 176.870 0.190 0.000 1.135 300 L CA -2.127 52.740 54.840 0.046 0.000 0.870 300 L CB 0.140 42.144 42.059 -0.091 0.000 1.154 300 L HN 0.034 nan 8.230 nan 0.000 0.462 301 P HA 0.088 nan 4.420 nan 0.000 0.268 301 P C 0.803 178.189 177.300 0.143 0.000 1.204 301 P CA 0.471 63.642 63.100 0.119 0.000 0.768 301 P CB 0.991 32.732 31.700 0.068 0.000 0.842 302 G N 0.652 109.486 108.800 0.057 0.000 2.241 302 G HA2 -0.217 3.735 3.960 -0.014 0.000 0.244 302 G HA3 -0.217 3.735 3.960 -0.014 0.000 0.244 302 G C -0.381 174.428 174.900 -0.152 0.000 0.998 302 G CA -0.608 44.448 45.100 -0.072 0.000 0.621 302 G HN 0.392 nan 8.290 nan 0.000 0.519 303 W N 1.180 122.441 121.300 -0.065 0.000 2.313 303 W HA 0.717 5.370 4.660 -0.011 0.000 0.328 303 W C 0.522 177.009 176.519 -0.053 0.000 1.197 303 W CA -0.246 57.053 57.345 -0.076 0.000 1.235 303 W CB 0.870 30.285 29.460 -0.075 0.000 1.158 303 W HN 0.043 nan 8.180 nan 0.000 0.578 304 K N 1.475 121.983 120.400 0.180 0.000 2.443 304 K HA 0.611 4.923 4.320 -0.014 0.000 0.252 304 K C -1.433 175.238 176.600 0.119 0.000 0.933 304 K CA -0.830 55.519 56.287 0.103 0.000 0.792 304 K CB 2.324 34.844 32.500 0.032 0.000 1.185 304 K HN 0.133 nan 8.250 nan 0.000 0.425 305 V N 2.549 122.515 119.914 0.087 0.000 2.495 305 V HA 0.394 4.506 4.120 -0.014 0.000 0.298 305 V C -0.655 175.469 176.094 0.050 0.000 1.031 305 V CA -0.729 61.614 62.300 0.073 0.000 0.871 305 V CB 1.701 33.563 31.823 0.065 0.000 0.988 305 V HN 0.734 nan 8.190 nan 0.000 0.432 306 E N 2.005 122.235 120.200 0.051 0.000 2.266 306 E HA 0.445 4.787 4.350 -0.014 0.000 0.268 306 E C -1.327 175.330 176.600 0.094 0.000 0.879 306 E CA -0.557 55.881 56.400 0.063 0.000 0.762 306 E CB 2.388 32.131 29.700 0.072 0.000 1.199 306 E HN 0.709 nan 8.360 nan 0.000 0.422 307 C N 3.184 122.538 119.300 0.089 0.000 2.347 307 C HA 0.336 4.788 4.460 -0.014 0.000 0.353 307 C C 1.304 176.405 174.990 0.185 0.000 1.273 307 C CA -0.273 58.812 59.018 0.112 0.000 1.861 307 C CB -0.356 27.412 27.740 0.047 0.000 2.420 307 C HN 0.703 nan 8.230 nan 0.000 0.542 308 V N 5.220 125.278 119.914 0.241 0.000 2.690 308 V HA 0.408 4.519 4.120 -0.014 0.000 0.240 308 V C 1.360 177.627 176.094 0.289 0.000 1.078 308 V CA 1.275 63.756 62.300 0.302 0.000 1.102 308 V CB -0.319 31.678 31.823 0.289 0.000 0.800 308 V HN 1.049 nan 8.190 nan 0.000 0.479 309 G N 0.004 108.955 108.800 0.252 0.000 2.677 309 G HA2 0.489 4.441 3.960 -0.014 0.000 0.291 309 G HA3 0.489 4.441 3.960 -0.014 0.000 0.291 309 G C -1.035 174.005 174.900 0.233 0.000 1.435 309 G CA 0.431 45.697 45.100 0.276 0.000 0.826 309 G HN 0.145 nan 8.290 nan 0.000 0.491 310 D N -1.414 119.147 120.400 0.268 0.000 2.469 310 D HA 0.196 4.828 4.640 -0.014 0.000 0.215 310 D C 0.351 176.725 176.300 0.123 0.000 1.154 310 D CA 0.152 54.239 54.000 0.145 0.000 0.832 310 D CB 1.332 42.162 40.800 0.051 0.000 1.008 310 D HN 0.359 nan 8.370 nan 0.000 0.506 311 D N -0.876 119.607 120.400 0.139 0.000 2.119 311 D HA 0.159 4.791 4.640 -0.014 0.000 0.311 311 D C -0.437 175.968 176.300 0.176 0.000 1.155 311 D CA 0.113 54.201 54.000 0.145 0.000 1.036 311 D CB 0.876 41.779 40.800 0.173 0.000 1.855 311 D HN -0.058 nan 8.370 nan 0.000 0.523 312 I N 1.807 122.454 120.570 0.129 0.000 2.509 312 I HA 0.719 4.880 4.170 -0.014 0.000 0.293 312 I C -0.594 175.592 176.117 0.116 0.000 1.020 312 I CA -1.129 60.251 61.300 0.134 0.000 1.088 312 I CB 1.163 39.186 38.000 0.038 0.000 1.267 312 I HN 0.116 nan 8.210 nan 0.000 0.430 313 A N 5.968 128.929 122.820 0.236 0.000 2.356 313 A HA 0.739 5.051 4.320 -0.014 0.000 0.310 313 A C -1.915 175.980 177.584 0.519 0.000 1.075 313 A CA -0.447 51.743 52.037 0.255 0.000 0.746 313 A CB 0.987 20.124 19.000 0.229 0.000 1.221 313 A HN 0.574 nan 8.150 nan 0.000 0.443 314 W N 2.354 123.752 121.300 0.163 0.000 2.329 314 W HA 0.675 5.327 4.660 -0.013 0.000 0.312 314 W C -0.337 176.253 176.519 0.117 0.000 1.054 314 W CA -1.083 56.405 57.345 0.237 0.000 1.245 314 W CB 1.080 30.621 29.460 0.136 0.000 1.255 314 W HN 0.501 nan 8.180 nan 0.000 0.436 315 M N 3.629 123.457 119.600 0.379 0.000 2.326 315 M HA 0.435 4.907 4.480 -0.014 0.000 0.306 315 M C -0.457 175.893 176.300 0.083 0.000 1.054 315 M CA -0.793 54.583 55.300 0.127 0.000 0.922 315 M CB 2.923 35.549 32.600 0.044 0.000 1.632 315 M HN 0.258 nan 8.290 nan 0.000 0.436 316 K N 2.499 122.865 120.400 -0.057 0.000 2.513 316 K HA 0.539 4.851 4.320 -0.014 0.000 0.251 316 K C -1.667 174.857 176.600 -0.127 0.000 0.939 316 K CA -0.527 55.743 56.287 -0.029 0.000 0.793 316 K CB 1.848 34.330 32.500 -0.030 0.000 1.241 316 K HN 0.479 nan 8.250 nan 0.000 0.431 317 F N 3.591 123.534 119.950 -0.013 0.000 2.543 317 F HA 0.021 4.540 4.527 -0.013 0.000 0.375 317 F C 1.094 176.872 175.800 -0.037 0.000 1.075 317 F CA 0.276 58.251 58.000 -0.042 0.000 1.225 317 F CB 0.373 39.329 39.000 -0.073 0.000 1.099 317 F HN 0.594 nan 8.300 nan 0.000 0.561 318 D N 2.030 122.502 120.400 0.120 0.000 2.451 318 D HA 0.337 4.969 4.640 -0.014 0.000 0.259 318 D C 0.988 177.324 176.300 0.059 0.000 1.201 318 D CA -0.377 53.657 54.000 0.057 0.000 1.028 318 D CB 0.407 41.214 40.800 0.011 0.000 1.095 318 D HN 0.450 nan 8.370 nan 0.000 0.539 319 A N -0.733 122.102 122.820 0.025 0.000 2.125 319 A HA -0.182 4.130 4.320 -0.014 0.000 0.219 319 A C 1.800 179.389 177.584 0.008 0.000 1.156 319 A CA 1.143 53.187 52.037 0.012 0.000 0.671 319 A CB -0.569 18.432 19.000 0.001 0.000 0.794 319 A HN 0.461 nan 8.150 nan 0.000 0.459 320 Q N -1.879 117.931 119.800 0.016 0.000 2.398 320 Q HA 0.176 4.508 4.340 -0.014 0.000 0.204 320 Q C 1.345 177.358 176.000 0.021 0.000 0.932 320 Q CA 0.934 56.744 55.803 0.012 0.000 0.916 320 Q CB 0.165 28.910 28.738 0.011 0.000 1.024 320 Q HN 1.010 nan 8.270 nan 0.000 0.504 321 G N 1.061 109.894 108.800 0.054 0.000 2.179 321 G HA2 -0.178 3.773 3.960 -0.014 0.000 0.220 321 G HA3 -0.178 3.773 3.960 -0.014 0.000 0.220 321 G C 0.007 175.037 174.900 0.217 0.000 0.990 321 G CA -0.338 44.814 45.100 0.087 0.000 0.646 321 G HN 0.232 nan 8.290 nan 0.000 0.517 322 N N 0.408 119.194 118.700 0.144 0.000 2.514 322 N HA 0.363 5.095 4.740 -0.014 0.000 0.277 322 N C -0.134 175.390 175.510 0.024 0.000 1.126 322 N CA -0.303 52.806 53.050 0.097 0.000 0.978 322 N CB 1.812 40.316 38.487 0.029 0.000 1.106 322 N HN 0.235 nan 8.380 nan 0.000 0.461 323 L N 3.916 125.053 121.223 -0.144 0.000 2.433 323 L HA 0.134 4.466 4.340 -0.014 0.000 0.284 323 L C 0.108 176.828 176.870 -0.250 0.000 1.120 323 L CA -0.003 54.532 54.840 -0.509 0.000 0.879 323 L CB -0.231 41.421 42.059 -0.678 0.000 1.232 323 L HN 0.216 nan 8.230 nan 0.000 0.454 324 R N 4.564 124.941 120.500 -0.205 0.000 2.265 324 R HA 0.661 4.993 4.340 -0.014 0.000 0.314 324 R C -0.497 175.735 176.300 -0.113 0.000 1.053 324 R CA -0.269 55.748 56.100 -0.138 0.000 0.931 324 R CB 1.223 31.457 30.300 -0.111 0.000 1.024 324 R HN 0.698 nan 8.270 nan 0.000 0.457 325 A N 4.373 127.135 122.820 -0.097 0.000 2.350 325 A HA 0.699 5.011 4.320 -0.014 0.000 0.324 325 A C -0.038 177.517 177.584 -0.048 0.000 1.118 325 A CA -0.873 51.145 52.037 -0.032 0.000 0.783 325 A CB 0.915 19.919 19.000 0.007 0.000 1.236 325 A HN 0.789 nan 8.150 nan 0.000 0.457 326 I N -0.502 120.065 120.570 -0.004 0.000 2.693 326 I HA 0.592 4.754 4.170 -0.014 0.000 0.303 326 I C -0.401 175.688 176.117 -0.046 0.000 1.025 326 I CA -0.983 60.288 61.300 -0.048 0.000 1.086 326 I CB 2.056 39.999 38.000 -0.095 0.000 1.268 326 I HN 0.497 nan 8.210 nan 0.000 0.440 327 N N 6.040 124.714 118.700 -0.044 0.000 2.411 327 N HA 0.337 5.069 4.740 -0.014 0.000 0.259 327 N C -1.805 173.567 175.510 -0.230 0.000 1.103 327 N CA -2.487 50.524 53.050 -0.065 0.000 0.954 327 N CB 0.923 39.471 38.487 0.101 0.000 1.085 327 N HN 0.472 nan 8.380 nan 0.000 0.485 328 P HA 0.045 nan 4.420 nan 0.000 0.249 328 P C -0.546 176.481 177.300 -0.456 0.000 1.229 328 P CA 0.604 63.263 63.100 -0.737 0.000 0.788 328 P CB 0.459 31.152 31.700 -1.677 0.000 1.072 329 E N -0.105 119.935 120.200 -0.267 0.000 2.232 329 E HA 0.218 4.559 4.350 -0.014 0.000 0.265 329 E C 0.111 176.675 176.600 -0.060 0.000 1.001 329 E CA -0.545 55.752 56.400 -0.172 0.000 0.870 329 E CB 0.618 30.235 29.700 -0.139 0.000 1.175 329 E HN -0.173 nan 8.360 nan 0.000 0.407 330 N N -0.690 117.963 118.700 -0.078 0.000 2.171 330 N HA 0.170 4.902 4.740 -0.014 0.000 0.212 330 N C -0.605 174.812 175.510 -0.155 0.000 1.184 330 N CA 0.051 53.109 53.050 0.012 0.000 0.888 330 N CB 1.186 39.660 38.487 -0.023 0.000 1.038 330 N HN 0.501 nan 8.380 nan 0.000 0.517 331 G N -1.150 107.471 108.800 -0.297 0.000 2.663 331 G HA2 0.484 4.436 3.960 -0.014 0.000 0.299 331 G HA3 0.484 4.436 3.960 -0.014 0.000 0.299 331 G C -1.770 172.840 174.900 -0.484 0.000 1.372 331 G CA -0.629 44.192 45.100 -0.465 0.000 0.781 331 G HN -0.010 nan 8.290 nan 0.000 0.491 332 F N 0.010 119.988 119.950 0.047 0.000 2.444 332 F HA 0.570 5.089 4.527 -0.014 0.000 0.342 332 F C -0.528 175.351 175.800 0.131 0.000 1.121 332 F CA -1.193 56.867 58.000 0.100 0.000 0.997 332 F CB 2.043 41.145 39.000 0.169 0.000 1.130 332 F HN 0.258 nan 8.300 nan 0.000 0.454 333 F N 3.118 123.092 119.950 0.040 0.000 2.334 333 F HA 0.656 5.175 4.527 -0.014 0.000 0.343 333 F C 0.337 175.948 175.800 -0.316 0.000 1.136 333 F CA -1.053 56.861 58.000 -0.142 0.000 1.237 333 F CB 0.022 38.960 39.000 -0.103 0.000 1.525 333 F HN 0.472 nan 8.300 nan 0.000 0.528 334 G N 2.452 110.657 108.800 -0.991 0.000 2.400 334 G HA2 0.469 4.420 3.960 -0.014 0.000 0.301 334 G HA3 0.469 4.420 3.960 -0.014 0.000 0.301 334 G C -0.979 173.173 174.900 -1.246 0.000 1.154 334 G CA -0.638 43.736 45.100 -1.211 0.000 0.852 334 G HN 0.235 nan 8.290 nan 0.000 0.511 335 V N 2.081 121.589 119.914 -0.676 0.000 2.479 335 V HA 0.247 4.359 4.120 -0.014 0.000 0.281 335 V C 1.478 177.271 176.094 -0.502 0.000 1.031 335 V CA 0.502 62.503 62.300 -0.498 0.000 1.038 335 V CB 0.557 32.216 31.823 -0.272 0.000 0.981 335 V HN 0.984 nan 8.190 nan 0.000 0.478 336 A N 7.990 130.474 122.820 -0.560 0.000 1.841 336 A HA 0.114 4.426 4.320 -0.014 0.000 0.214 336 A C -1.229 175.680 177.584 -1.124 0.000 1.195 336 A CA 0.782 52.322 52.037 -0.829 0.000 0.611 336 A CB -1.228 17.225 19.000 -0.912 0.000 0.835 336 A HN 0.719 nan 8.150 nan 0.000 0.443 337 P HA 0.269 nan 4.420 nan 0.000 0.264 337 P C 0.802 177.978 177.300 -0.207 0.000 1.183 337 P CA 1.820 64.668 63.100 -0.421 0.000 0.763 337 P CB 0.532 32.128 31.700 -0.174 0.000 0.807 338 G N 1.600 110.410 108.800 0.016 0.000 2.234 338 G HA2 -0.207 3.745 3.960 -0.014 0.000 0.235 338 G HA3 -0.207 3.745 3.960 -0.014 0.000 0.235 338 G C 0.185 175.165 174.900 0.133 0.000 0.997 338 G CA -0.019 45.135 45.100 0.089 0.000 0.623 338 G HN 0.589 nan 8.290 nan 0.000 0.514 339 T N 2.028 116.666 114.554 0.140 0.000 2.779 339 T HA 0.564 4.906 4.350 -0.014 0.000 0.296 339 T C 0.375 175.284 174.700 0.349 0.000 0.938 339 T CA 0.763 62.996 62.100 0.222 0.000 1.119 339 T CB 1.352 70.330 68.868 0.183 0.000 0.891 339 T HN 1.410 nan 8.240 nan 0.000 0.526 340 S N 1.733 117.517 115.700 0.140 0.000 2.618 340 S HA 0.437 4.899 4.470 -0.014 0.000 0.277 340 S C 1.015 175.604 174.600 -0.018 0.000 1.138 340 S CA -0.921 57.309 58.200 0.050 0.000 0.844 340 S CB 1.129 64.320 63.200 -0.014 0.000 1.127 340 S HN 0.198 nan 8.310 nan 0.000 0.474 341 V N 1.831 121.720 119.914 -0.042 0.000 2.380 341 V HA -0.174 3.938 4.120 -0.014 0.000 0.251 341 V C 2.693 178.734 176.094 -0.089 0.000 1.063 341 V CA 2.479 64.744 62.300 -0.057 0.000 1.055 341 V CB -0.963 30.828 31.823 -0.053 0.000 0.657 341 V HN 0.997 nan 8.190 nan 0.000 0.455 342 K N 0.182 120.508 120.400 -0.123 0.000 2.001 342 K HA -0.175 4.137 4.320 -0.014 0.000 0.208 342 K C 2.333 178.771 176.600 -0.271 0.000 1.048 342 K CA 1.958 58.134 56.287 -0.185 0.000 0.932 342 K CB -0.257 32.117 32.500 -0.209 0.000 0.715 342 K HN 0.688 nan 8.250 nan 0.000 0.437 343 T N -1.865 112.498 114.554 -0.318 0.000 2.937 343 T HA -0.023 4.319 4.350 -0.014 0.000 0.260 343 T C 0.952 175.583 174.700 -0.115 0.000 1.051 343 T CA 0.633 62.466 62.100 -0.444 0.000 1.141 343 T CB 0.054 68.662 68.868 -0.435 0.000 0.879 343 T HN 0.024 nan 8.240 nan 0.000 0.459 344 N N 1.542 120.206 118.700 -0.060 0.000 2.716 344 N HA 0.296 5.028 4.740 -0.014 0.000 0.245 344 N C -2.472 173.015 175.510 -0.038 0.000 1.495 344 N CA -1.891 51.148 53.050 -0.018 0.000 0.759 344 N CB 1.692 40.193 38.487 0.023 0.000 1.261 344 N HN 0.059 nan 8.380 nan 0.000 0.515 345 P HA -0.068 nan 4.420 nan 0.000 0.218 345 P C 0.796 178.064 177.300 -0.053 0.000 1.149 345 P CA 0.989 64.059 63.100 -0.050 0.000 0.817 345 P CB 0.634 32.304 31.700 -0.050 0.000 0.785 346 N N 0.223 118.888 118.700 -0.059 0.000 2.216 346 N HA -0.066 4.666 4.740 -0.014 0.000 0.183 346 N C 1.911 177.356 175.510 -0.107 0.000 1.017 346 N CA 1.381 54.388 53.050 -0.072 0.000 0.861 346 N CB -0.733 37.712 38.487 -0.069 0.000 0.986 346 N HN 0.099 nan 8.380 nan 0.000 0.428 347 A N 1.672 124.414 122.820 -0.130 0.000 1.902 347 A HA -0.070 4.242 4.320 -0.014 0.000 0.217 347 A C 2.123 179.573 177.584 -0.224 0.000 1.181 347 A CA 0.798 52.711 52.037 -0.207 0.000 0.623 347 A CB -0.384 18.515 19.000 -0.168 0.000 0.818 347 A HN 0.088 nan 8.150 nan 0.000 0.443 348 I N 0.103 120.601 120.570 -0.119 0.000 2.208 348 I HA -0.239 3.923 4.170 -0.014 0.000 0.245 348 I C 2.202 178.271 176.117 -0.079 0.000 1.097 348 I CA 1.755 63.010 61.300 -0.075 0.000 1.363 348 I CB -1.203 36.780 38.000 -0.027 0.000 1.051 348 I HN 0.377 nan 8.210 nan 0.000 0.413 349 K N 0.125 120.483 120.400 -0.069 0.000 2.097 349 K HA -0.105 4.207 4.320 -0.014 0.000 0.205 349 K C 2.020 178.586 176.600 -0.056 0.000 1.050 349 K CA 1.694 57.952 56.287 -0.048 0.000 0.938 349 K CB -0.287 32.192 32.500 -0.036 0.000 0.718 349 K HN 0.292 nan 8.250 nan 0.000 0.442 350 T N 2.070 116.575 114.554 -0.083 0.000 2.746 350 T HA -0.100 4.241 4.350 -0.014 0.000 0.267 350 T C 1.758 176.406 174.700 -0.087 0.000 1.039 350 T CA 1.366 63.428 62.100 -0.064 0.000 1.142 350 T CB -0.270 68.573 68.868 -0.040 0.000 0.866 350 T HN 0.402 nan 8.240 nan 0.000 0.444 351 I N -0.897 119.576 120.570 -0.162 0.000 3.749 351 I HA 0.194 4.356 4.170 -0.014 0.000 0.314 351 I C 1.702 177.769 176.117 -0.083 0.000 1.267 351 I CA 0.121 61.321 61.300 -0.166 0.000 1.169 351 I CB -0.217 37.608 38.000 -0.291 0.000 1.009 351 I HN -0.071 nan 8.210 nan 0.000 0.444 352 Q N 2.861 122.613 119.800 -0.079 0.000 2.378 352 Q HA 0.049 4.381 4.340 -0.014 0.000 0.205 352 Q C 0.279 176.273 176.000 -0.009 0.000 0.954 352 Q CA 0.929 56.683 55.803 -0.082 0.000 0.901 352 Q CB 0.016 28.755 28.738 0.002 0.000 0.981 352 Q HN 0.781 nan 8.270 nan 0.000 0.483 353 K N -1.060 119.352 120.400 0.020 0.000 2.512 353 K HA 0.351 4.663 4.320 -0.014 0.000 0.263 353 K C -0.457 176.195 176.600 0.087 0.000 0.966 353 K CA -0.835 55.498 56.287 0.077 0.000 0.851 353 K CB 1.165 33.714 32.500 0.081 0.000 1.395 353 K HN -0.275 nan 8.250 nan 0.000 0.440 354 N N 0.088 118.876 118.700 0.146 0.000 2.727 354 N HA -0.135 4.597 4.740 -0.014 0.000 0.249 354 N C -1.266 174.351 175.510 0.178 0.000 1.048 354 N CA 1.476 54.648 53.050 0.203 0.000 0.714 354 N CB -1.244 37.343 38.487 0.168 0.000 0.959 354 N HN 0.769 nan 8.380 nan 0.000 0.544 355 T N 0.664 115.311 114.554 0.156 0.000 2.861 355 T HA 0.639 4.981 4.350 -0.014 0.000 0.287 355 T C 0.608 175.339 174.700 0.052 0.000 1.003 355 T CA -0.489 61.606 62.100 -0.008 0.000 0.977 355 T CB 1.987 70.699 68.868 -0.260 0.000 0.996 355 T HN 0.062 nan 8.240 nan 0.000 0.448 356 I N 3.185 123.750 120.570 -0.008 0.000 2.321 356 I HA 0.439 4.601 4.170 -0.014 0.000 0.291 356 I C -0.857 175.243 176.117 -0.028 0.000 0.998 356 I CA -0.629 60.748 61.300 0.129 0.000 1.227 356 I CB 0.814 38.886 38.000 0.120 0.000 1.368 356 I HN 0.491 nan 8.210 nan 0.000 0.466 357 F N 3.412 123.531 119.950 0.281 0.000 2.450 357 F HA 0.502 5.020 4.527 -0.015 0.000 0.332 357 F C 0.436 176.380 175.800 0.240 0.000 1.093 357 F CA -0.457 57.691 58.000 0.247 0.000 1.003 357 F CB 2.005 41.163 39.000 0.263 0.000 1.151 357 F HN 0.243 nan 8.300 nan 0.000 0.474 358 T N 2.821 117.577 114.554 0.336 0.000 2.841 358 T HA 0.249 4.590 4.350 -0.014 0.000 0.285 358 T C -0.397 174.406 174.700 0.172 0.000 0.991 358 T CA -0.860 61.378 62.100 0.230 0.000 0.966 358 T CB 0.925 69.879 68.868 0.144 0.000 0.962 358 T HN 0.602 nan 8.240 nan 0.000 0.438 359 N N 0.261 119.070 118.700 0.181 0.000 2.741 359 N HA -0.141 4.591 4.740 -0.014 0.000 0.250 359 N C 0.160 175.780 175.510 0.183 0.000 1.115 359 N CA 1.127 54.295 53.050 0.197 0.000 0.724 359 N CB -1.859 36.616 38.487 -0.021 0.000 1.090 359 N HN 0.687 nan 8.380 nan 0.000 0.558 360 V N -3.456 116.605 119.914 0.246 0.000 3.336 360 V HA 0.928 5.039 4.120 -0.014 0.000 0.314 360 V C 0.901 177.144 176.094 0.249 0.000 1.088 360 V CA -0.550 61.910 62.300 0.267 0.000 1.033 360 V CB 1.582 33.642 31.823 0.395 0.000 1.181 360 V HN 0.270 nan 8.190 nan 0.000 0.449 361 A N 0.499 123.441 122.820 0.204 0.000 2.302 361 A HA 0.632 4.944 4.320 -0.014 0.000 0.285 361 A C -0.038 177.602 177.584 0.094 0.000 1.105 361 A CA -0.480 51.631 52.037 0.124 0.000 0.816 361 A CB 0.576 19.606 19.000 0.049 0.000 1.067 361 A HN 1.020 nan 8.150 nan 0.000 0.489 362 E N 0.534 120.771 120.200 0.062 0.000 2.187 362 E HA 0.462 4.803 4.350 -0.014 0.000 0.268 362 E C 0.006 176.602 176.600 -0.008 0.000 0.896 362 E CA -0.530 55.887 56.400 0.027 0.000 0.766 362 E CB 1.170 30.892 29.700 0.036 0.000 1.142 362 E HN 0.802 nan 8.360 nan 0.000 0.408 363 T N 0.949 115.478 114.554 -0.042 0.000 2.788 363 T HA 0.162 4.504 4.350 -0.014 0.000 0.280 363 T C 1.122 175.779 174.700 -0.071 0.000 0.984 363 T CA -0.493 61.558 62.100 -0.082 0.000 0.972 363 T CB 1.396 70.193 68.868 -0.119 0.000 1.039 363 T HN 0.312 nan 8.240 nan 0.000 0.530 364 S N 0.277 115.932 115.700 -0.075 0.000 2.402 364 S HA -0.071 4.391 4.470 -0.014 0.000 0.229 364 S C 1.379 175.931 174.600 -0.081 0.000 1.021 364 S CA 0.875 59.036 58.200 -0.065 0.000 0.974 364 S CB -0.490 62.674 63.200 -0.059 0.000 0.800 364 S HN 0.738 nan 8.310 nan 0.000 0.484 365 D N 0.789 121.127 120.400 -0.103 0.000 2.392 365 D HA 0.136 4.768 4.640 -0.014 0.000 0.228 365 D C 1.370 177.565 176.300 -0.174 0.000 1.003 365 D CA 0.692 54.615 54.000 -0.129 0.000 0.917 365 D CB -0.453 40.265 40.800 -0.136 0.000 0.890 365 D HN 0.482 nan 8.370 nan 0.000 0.532 366 G N -0.134 108.578 108.800 -0.148 0.000 2.160 366 G HA2 -0.168 3.784 3.960 -0.014 0.000 0.244 366 G HA3 -0.168 3.784 3.960 -0.014 0.000 0.244 366 G C 0.678 175.440 174.900 -0.230 0.000 1.022 366 G CA 0.121 45.125 45.100 -0.160 0.000 0.741 366 G HN 0.615 nan 8.290 nan 0.000 0.508 367 G N -1.578 107.102 108.800 -0.201 0.000 2.642 367 G HA2 0.883 4.835 3.960 -0.014 0.000 0.291 367 G HA3 0.883 4.835 3.960 -0.014 0.000 0.291 367 G C 0.201 175.110 174.900 0.015 0.000 1.345 367 G CA 0.113 45.134 45.100 -0.131 0.000 1.043 367 G HN 1.535 nan 8.290 nan 0.000 0.528 368 V N -2.783 117.144 119.914 0.021 0.000 2.630 368 V HA 0.826 4.938 4.120 -0.014 0.000 0.305 368 V C -1.108 174.847 176.094 -0.231 0.000 1.046 368 V CA -1.137 61.060 62.300 -0.173 0.000 0.934 368 V CB 1.416 32.959 31.823 -0.466 0.000 1.003 368 V HN 0.683 nan 8.190 nan 0.000 0.451 369 Y N 3.286 123.370 120.300 -0.360 0.000 2.544 369 Y HA 0.803 5.345 4.550 -0.013 0.000 0.342 369 Y C -1.272 174.494 175.900 -0.223 0.000 1.062 369 Y CA -0.847 56.972 58.100 -0.468 0.000 1.023 369 Y CB 2.243 40.553 38.460 -0.250 0.000 1.308 369 Y HN 1.092 nan 8.280 nan 0.000 0.457 370 W N 1.253 122.345 121.300 -0.347 0.000 2.989 370 W HA 0.609 5.260 4.660 -0.015 0.000 0.344 370 W C -1.562 174.807 176.519 -0.250 0.000 1.233 370 W CA -1.142 56.071 57.345 -0.220 0.000 1.187 370 W CB 0.234 29.615 29.460 -0.132 0.000 1.443 370 W HN 0.347 nan 8.180 nan 0.000 0.573 371 E N 1.117 121.424 120.200 0.179 0.000 2.493 371 E HA 0.402 4.743 4.350 -0.014 0.000 0.255 371 E C 1.090 177.804 176.600 0.190 0.000 0.999 371 E CA 2.239 58.722 56.400 0.138 0.000 0.934 371 E CB 0.167 29.931 29.700 0.106 0.000 0.940 371 E HN 1.155 nan 8.360 nan 0.000 0.473 372 G N 3.320 112.184 108.800 0.107 0.000 2.136 372 G HA2 -0.321 3.631 3.960 -0.014 0.000 0.242 372 G HA3 -0.321 3.631 3.960 -0.014 0.000 0.242 372 G C 0.783 175.740 174.900 0.094 0.000 0.989 372 G CA 0.272 45.434 45.100 0.103 0.000 0.682 372 G HN 0.632 nan 8.290 nan 0.000 0.522 373 I N 0.134 120.660 120.570 -0.074 0.000 2.830 373 I HA 0.103 4.265 4.170 -0.014 0.000 0.263 373 I C 1.148 177.140 176.117 -0.209 0.000 1.230 373 I CA 1.114 62.245 61.300 -0.281 0.000 1.480 373 I CB -0.005 37.335 38.000 -1.099 0.000 1.095 373 I HN 0.301 nan 8.210 nan 0.000 0.455 374 D N 2.683 122.996 120.400 -0.145 0.000 2.904 374 D HA -0.281 4.351 4.640 -0.014 0.000 0.231 374 D C -0.150 176.102 176.300 -0.080 0.000 1.185 374 D CA 0.891 54.843 54.000 -0.079 0.000 0.783 374 D CB -0.599 40.164 40.800 -0.063 0.000 0.961 374 D HN 0.609 nan 8.370 nan 0.000 0.409 375 E N 1.125 121.291 120.200 -0.057 0.000 2.542 375 E HA 0.296 4.638 4.350 -0.014 0.000 0.298 375 E C -2.570 174.090 176.600 0.101 0.000 0.980 375 E CA -1.782 54.617 56.400 -0.002 0.000 0.792 375 E CB 1.063 30.734 29.700 -0.048 0.000 1.463 375 E HN 0.067 nan 8.360 nan 0.000 0.389 376 P HA 0.066 nan 4.420 nan 0.000 0.266 376 P C -0.615 176.710 177.300 0.043 0.000 1.215 376 P CA 0.098 63.235 63.100 0.061 0.000 0.763 376 P CB 0.396 32.112 31.700 0.026 0.000 0.806 377 L N 2.292 123.534 121.223 0.031 0.000 2.397 377 L HA 0.333 4.665 4.340 -0.014 0.000 0.271 377 L C 1.001 177.850 176.870 -0.035 0.000 1.148 377 L CA -0.743 54.080 54.840 -0.028 0.000 0.825 377 L CB 0.449 42.435 42.059 -0.123 0.000 1.117 377 L HN 0.399 nan 8.230 nan 0.000 0.456 378 A N 5.515 128.312 122.820 -0.039 0.000 2.511 378 A HA 0.317 4.629 4.320 -0.014 0.000 0.242 378 A C -2.050 175.508 177.584 -0.044 0.000 1.069 378 A CA -1.083 50.932 52.037 -0.037 0.000 0.763 378 A CB -0.636 18.342 19.000 -0.037 0.000 1.001 378 A HN 0.492 nan 8.150 nan 0.000 0.498 379 P HA 0.113 nan 4.420 nan 0.000 0.259 379 P C 1.035 178.310 177.300 -0.042 0.000 1.163 379 P CA 1.700 64.777 63.100 -0.038 0.000 0.760 379 P CB 0.413 32.095 31.700 -0.031 0.000 0.762 380 G N 1.915 110.687 108.800 -0.047 0.000 2.424 380 G HA2 -0.218 3.733 3.960 -0.014 0.000 0.207 380 G HA3 -0.218 3.733 3.960 -0.014 0.000 0.207 380 G C -0.063 174.803 174.900 -0.057 0.000 1.061 380 G CA -0.176 44.895 45.100 -0.047 0.000 0.657 380 G HN 0.541 nan 8.290 nan 0.000 0.508 381 V N 3.668 123.541 119.914 -0.069 0.000 2.485 381 V HA 0.469 4.580 4.120 -0.014 0.000 0.287 381 V C 1.213 177.247 176.094 -0.101 0.000 1.022 381 V CA 0.988 63.235 62.300 -0.089 0.000 1.067 381 V CB 0.562 32.322 31.823 -0.105 0.000 0.967 381 V HN 0.946 nan 8.190 nan 0.000 0.479 382 T N 3.514 118.017 114.554 -0.085 0.000 2.937 382 T HA 0.820 5.162 4.350 -0.014 0.000 0.283 382 T C -0.609 174.052 174.700 -0.065 0.000 1.012 382 T CA -0.826 61.234 62.100 -0.065 0.000 0.997 382 T CB 1.789 70.638 68.868 -0.033 0.000 1.136 382 T HN 0.288 nan 8.240 nan 0.000 0.551 383 I N 0.954 121.525 120.570 0.001 0.000 2.466 383 I HA 0.345 4.506 4.170 -0.014 0.000 0.289 383 I C -0.208 175.967 176.117 0.098 0.000 1.026 383 I CA -0.747 60.574 61.300 0.036 0.000 1.078 383 I CB 2.450 40.518 38.000 0.112 0.000 1.249 383 I HN 0.674 nan 8.210 nan 0.000 0.429 384 T N 4.326 118.914 114.554 0.057 0.000 2.767 384 T HA 0.308 4.649 4.350 -0.014 0.000 0.288 384 T C 0.347 175.081 174.700 0.057 0.000 0.963 384 T CA -0.601 61.536 62.100 0.062 0.000 1.019 384 T CB 1.005 69.896 68.868 0.039 0.000 0.923 384 T HN 0.734 nan 8.240 nan 0.000 0.468 385 S N 3.685 119.417 115.700 0.053 0.000 2.634 385 S HA 0.176 4.638 4.470 -0.014 0.000 0.261 385 S C 1.497 176.132 174.600 0.058 0.000 1.271 385 S CA -0.978 57.229 58.200 0.010 0.000 0.985 385 S CB 0.379 63.557 63.200 -0.036 0.000 0.968 385 S HN 0.916 nan 8.310 nan 0.000 0.568 386 W N 0.374 121.653 121.300 -0.034 0.000 2.611 386 W HA 0.110 4.762 4.660 -0.013 0.000 0.251 386 W C 0.489 177.009 176.519 0.001 0.000 1.265 386 W CA 0.477 57.823 57.345 0.001 0.000 1.295 386 W CB -0.787 28.684 29.460 0.017 0.000 1.129 386 W HN 0.622 nan 8.180 nan 0.000 0.630 387 K N 1.079 121.070 120.400 -0.681 0.000 2.374 387 K HA -0.034 4.277 4.320 -0.014 0.000 0.196 387 K C 0.541 176.971 176.600 -0.284 0.000 1.023 387 K CA 0.159 56.036 56.287 -0.683 0.000 1.103 387 K CB -0.432 31.638 32.500 -0.717 0.000 0.848 387 K HN 0.126 nan 8.250 nan 0.000 0.528 388 N N 1.803 120.414 118.700 -0.148 0.000 2.758 388 N HA -0.161 4.571 4.740 -0.014 0.000 0.248 388 N C -1.468 174.017 175.510 -0.042 0.000 1.076 388 N CA 0.556 53.571 53.050 -0.058 0.000 0.696 388 N CB -0.323 38.137 38.487 -0.045 0.000 0.979 388 N HN 0.196 nan 8.380 nan 0.000 0.550 389 K N 0.387 120.771 120.400 -0.027 0.000 2.435 389 K HA 0.313 4.625 4.320 -0.014 0.000 0.251 389 K C -0.545 176.100 176.600 0.075 0.000 0.954 389 K CA -0.875 55.419 56.287 0.013 0.000 0.820 389 K CB 1.776 34.279 32.500 0.004 0.000 1.292 389 K HN 0.029 nan 8.250 nan 0.000 0.436 390 E N 0.863 121.108 120.200 0.076 0.000 2.398 390 E HA 0.112 4.454 4.350 -0.014 0.000 0.263 390 E C -1.537 175.183 176.600 0.200 0.000 1.046 390 E CA 0.373 56.839 56.400 0.109 0.000 0.908 390 E CB 0.534 30.266 29.700 0.053 0.000 0.963 390 E HN 0.446 nan 8.360 nan 0.000 0.431 391 W N 3.460 124.754 121.300 -0.010 0.000 3.274 391 W HA 0.424 5.075 4.660 -0.014 0.000 0.327 391 W C -1.081 175.432 176.519 -0.010 0.000 1.172 391 W CA -0.568 56.781 57.345 0.006 0.000 1.217 391 W CB 1.141 30.624 29.460 0.037 0.000 1.376 391 W HN 0.374 nan 8.180 nan 0.000 0.507 392 R N 5.351 125.446 120.500 -0.675 0.000 2.562 392 R HA 0.296 4.628 4.340 -0.014 0.000 0.298 392 R C -1.820 173.752 176.300 -1.212 0.000 0.961 392 R CA -1.671 54.047 56.100 -0.638 0.000 0.881 392 R CB 1.750 31.814 30.300 -0.393 0.000 1.159 392 R HN 0.205 nan 8.270 nan 0.000 0.450 393 P HA -0.266 nan 4.420 nan 0.000 0.225 393 P C 0.322 177.413 177.300 -0.348 0.000 1.154 393 P CA 1.634 64.532 63.100 -0.335 0.000 0.885 393 P CB 0.247 31.900 31.700 -0.078 0.000 0.785 394 Q N -1.792 117.775 119.800 -0.388 0.000 2.324 394 Q HA 0.250 4.582 4.340 -0.014 0.000 0.373 394 Q C -0.498 175.341 176.000 -0.268 0.000 0.909 394 Q CA -0.293 55.378 55.803 -0.220 0.000 1.135 394 Q CB 0.034 28.707 28.738 -0.109 0.000 1.313 394 Q HN 0.118 nan 8.270 nan 0.000 0.417 395 D N 1.011 121.128 120.400 -0.473 0.000 2.411 395 D HA 0.096 4.728 4.640 -0.014 0.000 0.251 395 D C 0.931 177.213 176.300 -0.030 0.000 1.201 395 D CA -0.328 53.475 54.000 -0.328 0.000 0.996 395 D CB 1.350 41.769 40.800 -0.635 0.000 1.101 395 D HN 0.016 nan 8.370 nan 0.000 0.504 396 E N 0.158 120.380 120.200 0.036 0.000 2.016 396 E HA -0.081 4.261 4.350 -0.014 0.000 0.190 396 E C 0.095 176.804 176.600 0.183 0.000 0.985 396 E CA 1.017 57.474 56.400 0.094 0.000 0.802 396 E CB -0.048 29.692 29.700 0.066 0.000 0.762 396 E HN 0.379 nan 8.360 nan 0.000 0.448 397 E N 1.111 121.463 120.200 0.253 0.000 2.349 397 E HA 0.154 4.496 4.350 -0.014 0.000 0.265 397 E C -2.238 174.636 176.600 0.458 0.000 1.064 397 E CA -1.933 54.647 56.400 0.299 0.000 0.886 397 E CB 0.522 30.384 29.700 0.270 0.000 1.036 397 E HN 0.018 nan 8.360 nan 0.000 0.413 398 P HA -0.052 nan 4.420 nan 0.000 0.272 398 P C 0.700 177.959 177.300 -0.069 0.000 1.230 398 P CA -0.098 63.113 63.100 0.186 0.000 0.788 398 P CB 0.657 32.394 31.700 0.061 0.000 0.949 399 C N 0.158 119.065 119.300 -0.655 0.000 2.467 399 C HA 0.423 4.875 4.460 -0.014 0.000 0.279 399 C C 1.165 176.063 174.990 -0.152 0.000 1.347 399 C CA 0.476 58.895 59.018 -0.999 0.000 1.748 399 C CB -1.366 25.383 27.740 -1.650 0.000 1.977 399 C HN 0.626 nan 8.230 nan 0.000 0.501 400 A N 0.087 122.858 122.820 -0.083 0.000 2.356 400 A HA 0.569 4.881 4.320 -0.014 0.000 0.323 400 A C -0.398 176.973 177.584 -0.354 0.000 1.119 400 A CA -0.374 51.630 52.037 -0.054 0.000 0.790 400 A CB 0.081 19.110 19.000 0.048 0.000 1.273 400 A HN 0.604 nan 8.150 nan 0.000 0.452 401 H N 1.822 120.325 119.070 -0.945 0.000 2.848 401 H HA 0.096 4.644 4.556 -0.014 0.000 0.341 401 H C -1.734 173.297 175.328 -0.495 0.000 1.060 401 H CA -0.883 54.542 56.048 -1.038 0.000 1.444 401 H CB 1.237 30.091 29.762 -1.512 0.000 1.446 401 H HN 0.269 nan 8.280 nan 0.000 0.583 402 P HA -0.141 nan 4.420 nan 0.000 0.218 402 P C 0.728 177.877 177.300 -0.251 0.000 1.146 402 P CA 1.462 64.304 63.100 -0.430 0.000 0.813 402 P CB 0.263 31.698 31.700 -0.442 0.000 0.778 403 N N -1.130 117.525 118.700 -0.076 0.000 2.251 403 N HA 0.012 4.744 4.740 -0.014 0.000 0.217 403 N C -0.400 175.113 175.510 0.005 0.000 1.124 403 N CA -0.193 52.868 53.050 0.018 0.000 0.843 403 N CB -0.228 38.298 38.487 0.065 0.000 1.024 403 N HN -0.026 nan 8.380 nan 0.000 0.501 404 S N -0.178 115.487 115.700 -0.059 0.000 2.573 404 S HA 0.314 4.776 4.470 -0.014 0.000 0.277 404 S C 0.112 174.596 174.600 -0.195 0.000 1.346 404 S CA -0.366 57.784 58.200 -0.083 0.000 1.034 404 S CB 1.138 64.282 63.200 -0.095 0.000 0.879 404 S HN 0.099 nan 8.310 nan 0.000 0.528 405 R N 0.747 121.138 120.500 -0.182 0.000 2.795 405 R HA 0.520 4.852 4.340 -0.014 0.000 0.275 405 R C -0.986 175.179 176.300 -0.224 0.000 0.981 405 R CA -0.728 55.102 56.100 -0.448 0.000 0.917 405 R CB 1.347 31.174 30.300 -0.788 0.000 1.202 405 R HN 0.796 nan 8.270 nan 0.000 0.469 406 F N -1.237 118.531 119.950 -0.304 0.000 2.458 406 F HA 0.657 5.176 4.527 -0.013 0.000 0.330 406 F C -0.215 175.427 175.800 -0.263 0.000 1.082 406 F CA -1.488 56.292 58.000 -0.365 0.000 0.995 406 F CB 1.198 39.966 39.000 -0.388 0.000 1.170 406 F HN 0.321 nan 8.300 nan 0.000 0.478 407 C N 3.551 122.865 119.300 0.023 0.000 2.356 407 C HA 0.766 5.217 4.460 -0.014 0.000 0.324 407 C C -0.572 174.465 174.990 0.078 0.000 1.167 407 C CA 0.094 59.202 59.018 0.149 0.000 1.420 407 C CB -0.177 27.669 27.740 0.176 0.000 2.036 407 C HN 1.104 nan 8.230 nan 0.000 0.435 408 T N 6.790 121.429 114.554 0.142 0.000 2.912 408 T HA 0.618 4.960 4.350 -0.014 0.000 0.299 408 T C -2.999 171.694 174.700 -0.012 0.000 1.052 408 T CA -1.086 61.056 62.100 0.069 0.000 0.996 408 T CB 1.848 70.770 68.868 0.089 0.000 1.070 408 T HN 0.470 nan 8.240 nan 0.000 0.465 409 P HA 0.237 nan 4.420 nan 0.000 0.267 409 P C 0.155 177.302 177.300 -0.254 0.000 1.205 409 P CA -0.095 62.922 63.100 -0.139 0.000 0.765 409 P CB 0.544 32.200 31.700 -0.072 0.000 0.828 410 A N 3.563 126.063 122.820 -0.532 0.000 1.972 410 A HA -0.168 4.144 4.320 -0.014 0.000 0.219 410 A C 2.096 179.282 177.584 -0.665 0.000 1.169 410 A CA 2.017 53.486 52.037 -0.947 0.000 0.635 410 A CB -1.596 16.551 19.000 -1.421 0.000 0.810 410 A HN 0.582 nan 8.150 nan 0.000 0.446 411 S N -0.478 114.966 115.700 -0.428 0.000 2.465 411 S HA -0.230 4.231 4.470 -0.014 0.000 0.241 411 S C 1.584 176.124 174.600 -0.101 0.000 1.000 411 S CA 1.503 59.599 58.200 -0.173 0.000 0.964 411 S CB -0.452 62.803 63.200 0.093 0.000 0.763 411 S HN 0.718 nan 8.310 nan 0.000 0.512 412 Q N -0.342 119.405 119.800 -0.089 0.000 2.392 412 Q HA 0.223 4.555 4.340 -0.014 0.000 0.203 412 Q C 0.591 176.585 176.000 -0.010 0.000 0.917 412 Q CA -0.128 55.660 55.803 -0.026 0.000 0.939 412 Q CB 0.141 28.874 28.738 -0.008 0.000 1.063 412 Q HN 0.651 nan 8.270 nan 0.000 0.516 413 C N 3.296 122.598 119.300 0.003 0.000 2.638 413 C HA 0.067 4.519 4.460 -0.014 0.000 0.410 413 C C -0.882 174.096 174.990 -0.020 0.000 1.404 413 C CA -1.532 57.497 59.018 0.019 0.000 1.651 413 C CB 0.417 28.211 27.740 0.090 0.000 2.495 413 C HN 0.358 nan 8.230 nan 0.000 0.606 414 P HA -0.066 nan 4.420 nan 0.000 0.226 414 P C 0.536 177.834 177.300 -0.004 0.000 1.153 414 P CA 1.467 64.561 63.100 -0.009 0.000 0.777 414 P CB -0.196 31.497 31.700 -0.012 0.000 0.794 415 I N -4.626 115.938 120.570 -0.009 0.000 3.762 415 I HA 0.354 4.516 4.170 -0.014 0.000 0.333 415 I C 0.298 176.423 176.117 0.012 0.000 1.566 415 I CA -1.112 60.192 61.300 0.006 0.000 1.129 415 I CB -0.243 37.760 38.000 0.005 0.000 1.218 415 I HN -0.341 nan 8.210 nan 0.000 0.456 416 I N 2.624 123.185 120.570 -0.016 0.000 2.683 416 I HA -0.015 4.147 4.170 -0.014 0.000 0.286 416 I C 0.768 176.923 176.117 0.062 0.000 1.175 416 I CA 0.567 61.832 61.300 -0.058 0.000 1.429 416 I CB 0.216 38.037 38.000 -0.299 0.000 1.371 416 I HN 0.333 nan 8.210 nan 0.000 0.569 417 D N 9.618 130.109 120.400 0.152 0.000 2.424 417 D HA 0.042 4.674 4.640 -0.014 0.000 0.244 417 D C -1.621 174.871 176.300 0.320 0.000 1.134 417 D CA -1.072 53.076 54.000 0.246 0.000 0.881 417 D CB 1.481 42.485 40.800 0.339 0.000 1.191 417 D HN 0.370 nan 8.370 nan 0.000 0.445 418 P HA -0.082 nan 4.420 nan 0.000 0.225 418 P C 0.345 177.764 177.300 0.199 0.000 1.148 418 P CA 0.694 63.925 63.100 0.217 0.000 0.779 418 P CB 0.200 31.988 31.700 0.147 0.000 0.780 419 A N -0.539 122.414 122.820 0.221 0.000 2.500 419 A HA 0.098 4.409 4.320 -0.014 0.000 0.267 419 A C 1.667 179.304 177.584 0.089 0.000 1.290 419 A CA -0.687 51.417 52.037 0.111 0.000 0.928 419 A CB -1.389 17.668 19.000 0.095 0.000 1.066 419 A HN 0.317 nan 8.150 nan 0.000 0.516 420 W N 1.538 122.860 121.300 0.037 0.000 2.421 420 W HA -0.115 4.537 4.660 -0.014 0.000 0.270 420 W C 0.090 176.589 176.519 -0.034 0.000 1.233 420 W CA 1.464 58.818 57.345 0.015 0.000 1.226 420 W CB -0.329 29.158 29.460 0.045 0.000 1.121 420 W HN 0.617 nan 8.180 nan 0.000 0.579 421 E N 0.938 120.681 120.200 -0.763 0.000 2.734 421 E HA 0.190 4.531 4.350 -0.014 0.000 0.211 421 E C -0.025 176.344 176.600 -0.384 0.000 0.991 421 E CA -0.274 55.685 56.400 -0.736 0.000 1.065 421 E CB 0.061 29.111 29.700 -1.084 0.000 1.047 421 E HN -0.164 nan 8.360 nan 0.000 0.470 422 S N 4.104 119.656 115.700 -0.247 0.000 2.525 422 S HA 0.026 4.488 4.470 -0.014 0.000 0.285 422 S C -1.220 173.281 174.600 -0.165 0.000 1.283 422 S CA -0.873 57.228 58.200 -0.166 0.000 1.072 422 S CB 0.638 63.769 63.200 -0.115 0.000 0.867 422 S HN 0.257 nan 8.310 nan 0.000 0.492 423 P HA -0.157 nan 4.420 nan 0.000 0.220 423 P C 1.228 178.459 177.300 -0.115 0.000 1.148 423 P CA 0.923 63.944 63.100 -0.132 0.000 0.803 423 P CB 0.161 31.795 31.700 -0.110 0.000 0.782 424 E N 0.596 120.733 120.200 -0.104 0.000 2.371 424 E HA 0.078 4.420 4.350 -0.014 0.000 0.194 424 E C 1.020 177.555 176.600 -0.109 0.000 1.012 424 E CA 0.913 57.256 56.400 -0.095 0.000 0.860 424 E CB -0.783 28.871 29.700 -0.076 0.000 0.811 424 E HN 0.179 nan 8.360 nan 0.000 0.502 425 G N 0.584 109.307 108.800 -0.129 0.000 2.795 425 G HA2 -0.189 3.762 3.960 -0.014 0.000 0.664 425 G HA3 -0.189 3.762 3.960 -0.014 0.000 0.664 425 G C -0.194 174.585 174.900 -0.202 0.000 1.381 425 G CA -0.152 44.858 45.100 -0.150 0.000 0.853 425 G HN 0.753 nan 8.290 nan 0.000 0.545 426 V N -2.010 117.730 119.914 -0.290 0.000 2.547 426 V HA 0.847 4.958 4.120 -0.014 0.000 0.299 426 V C -2.003 173.888 176.094 -0.339 0.000 1.040 426 V CA -1.926 60.060 62.300 -0.523 0.000 0.913 426 V CB 2.000 33.102 31.823 -1.202 0.000 0.992 426 V HN 0.888 nan 8.190 nan 0.000 0.449 427 P HA 0.329 nan 4.420 nan 0.000 0.281 427 P C -0.584 176.739 177.300 0.037 0.000 1.286 427 P CA -0.066 63.000 63.100 -0.056 0.000 0.772 427 P CB 0.746 32.453 31.700 0.010 0.000 0.862 428 I N 4.226 124.803 120.570 0.012 0.000 2.352 428 I HA 0.143 4.304 4.170 -0.014 0.000 0.290 428 I C 1.357 177.524 176.117 0.082 0.000 1.036 428 I CA 0.071 61.415 61.300 0.073 0.000 1.336 428 I CB 0.427 38.452 38.000 0.042 0.000 1.407 428 I HN 0.413 nan 8.210 nan 0.000 0.497 429 E N 3.883 124.148 120.200 0.109 0.000 2.489 429 E HA 0.265 4.607 4.350 -0.014 0.000 0.204 429 E C 0.737 177.416 176.600 0.133 0.000 1.006 429 E CA -0.135 56.319 56.400 0.090 0.000 0.936 429 E CB 1.127 30.846 29.700 0.032 0.000 1.002 429 E HN 0.797 nan 8.360 nan 0.000 0.488 430 G N 1.080 109.980 108.800 0.168 0.000 2.746 430 G HA2 0.567 4.519 3.960 -0.014 0.000 0.297 430 G HA3 0.567 4.519 3.960 -0.014 0.000 0.297 430 G C -1.276 173.739 174.900 0.191 0.000 1.426 430 G CA -0.637 44.608 45.100 0.242 0.000 0.989 430 G HN -0.035 nan 8.290 nan 0.000 0.520 431 I N 1.728 122.392 120.570 0.157 0.000 2.436 431 I HA 0.460 4.622 4.170 -0.014 0.000 0.289 431 I C -0.516 175.495 176.117 -0.176 0.000 1.010 431 I CA -0.769 60.516 61.300 -0.025 0.000 1.098 431 I CB 2.113 40.099 38.000 -0.023 0.000 1.266 431 I HN 0.225 nan 8.210 nan 0.000 0.434 432 I N 5.685 126.086 120.570 -0.281 0.000 2.433 432 I HA 0.433 4.595 4.170 -0.014 0.000 0.292 432 I C -0.884 174.948 176.117 -0.476 0.000 1.001 432 I CA -0.472 60.688 61.300 -0.233 0.000 1.119 432 I CB 1.371 39.347 38.000 -0.041 0.000 1.289 432 I HN 0.267 nan 8.210 nan 0.000 0.438 433 F N 2.986 122.890 119.950 -0.078 0.000 2.507 433 F HA 0.895 5.414 4.527 -0.012 0.000 0.327 433 F C 0.721 176.358 175.800 -0.272 0.000 1.068 433 F CA -0.839 57.080 58.000 -0.135 0.000 0.965 433 F CB 2.126 41.047 39.000 -0.131 0.000 1.192 433 F HN 0.505 nan 8.300 nan 0.000 0.476 434 G N -0.452 108.387 108.800 0.065 0.000 2.387 434 G HA2 0.557 4.509 3.960 -0.014 0.000 0.294 434 G HA3 0.557 4.509 3.960 -0.014 0.000 0.294 434 G C -1.345 173.482 174.900 -0.122 0.000 1.509 434 G CA -0.075 44.806 45.100 -0.366 0.000 0.806 434 G HN 1.030 nan 8.290 nan 0.000 0.546 435 G N -0.952 107.713 108.800 -0.224 0.000 2.706 435 G HA2 0.613 4.565 3.960 -0.014 0.000 0.307 435 G HA3 0.613 4.565 3.960 -0.014 0.000 0.307 435 G C -1.307 173.514 174.900 -0.132 0.000 1.307 435 G CA -0.949 44.064 45.100 -0.144 0.000 0.790 435 G HN 0.581 nan 8.290 nan 0.000 0.503 436 R N 1.026 121.393 120.500 -0.222 0.000 2.235 436 R HA 0.427 4.759 4.340 -0.014 0.000 0.338 436 R C -0.625 175.639 176.300 -0.060 0.000 1.087 436 R CA -0.475 55.469 56.100 -0.260 0.000 0.948 436 R CB 0.719 30.712 30.300 -0.513 0.000 1.099 436 R HN 0.096 nan 8.270 nan 0.000 0.483 437 R N 3.991 124.529 120.500 0.063 0.000 2.358 437 R HA 0.192 4.524 4.340 -0.014 0.000 0.309 437 R C -1.980 174.363 176.300 0.073 0.000 1.026 437 R CA -2.344 53.786 56.100 0.050 0.000 0.909 437 R CB 1.431 31.764 30.300 0.056 0.000 1.153 437 R HN 0.405 nan 8.270 nan 0.000 0.515 438 P HA -0.051 nan 4.420 nan 0.000 0.222 438 P C -0.134 177.158 177.300 -0.014 0.000 1.147 438 P CA 0.822 63.955 63.100 0.055 0.000 0.790 438 P CB 0.598 32.312 31.700 0.023 0.000 0.780 439 A N -1.787 120.988 122.820 -0.076 0.000 2.475 439 A HA 0.644 4.956 4.320 -0.014 0.000 0.301 439 A C 0.954 178.176 177.584 -0.604 0.000 1.059 439 A CA -0.019 51.884 52.037 -0.224 0.000 0.710 439 A CB 1.177 20.099 19.000 -0.131 0.000 1.288 439 A HN 0.168 nan 8.150 nan 0.000 0.408 440 G N -0.285 107.993 108.800 -0.869 0.000 2.347 440 G HA2 -0.176 3.776 3.960 -0.014 0.000 0.247 440 G HA3 -0.176 3.776 3.960 -0.014 0.000 0.247 440 G C 0.325 174.783 174.900 -0.737 0.000 1.037 440 G CA 0.419 44.519 45.100 -1.667 0.000 0.622 440 G HN 1.670 nan 8.290 nan 0.000 0.521 441 V N 3.524 123.234 119.914 -0.341 0.000 2.383 441 V HA 0.490 4.602 4.120 -0.014 0.000 0.275 441 V C -1.516 174.611 176.094 0.056 0.000 1.036 441 V CA -1.440 60.918 62.300 0.097 0.000 0.889 441 V CB 1.505 33.444 31.823 0.194 0.000 0.985 441 V HN 0.173 nan 8.190 nan 0.000 0.459 442 P HA 0.105 nan 4.420 nan 0.000 0.272 442 P C 0.828 177.994 177.300 -0.223 0.000 1.240 442 P CA -0.451 62.580 63.100 -0.115 0.000 0.791 442 P CB 0.704 32.423 31.700 0.032 0.000 0.978 443 L N 2.342 123.148 121.223 -0.695 0.000 2.043 443 L HA -0.039 4.293 4.340 -0.014 0.000 0.212 443 L C 0.483 177.141 176.870 -0.353 0.000 1.075 443 L CA 2.102 56.553 54.840 -0.648 0.000 0.752 443 L CB -0.137 41.275 42.059 -1.078 0.000 0.891 443 L HN 0.210 nan 8.230 nan 0.000 0.432 444 V N -0.731 119.091 119.914 -0.154 0.000 2.924 444 V HA 0.441 4.553 4.120 -0.014 0.000 0.300 444 V C -1.644 174.652 176.094 0.337 0.000 1.227 444 V CA -0.586 61.757 62.300 0.072 0.000 0.954 444 V CB 1.877 33.728 31.823 0.047 0.000 1.055 444 V HN 0.367 nan 8.190 nan 0.000 0.429 445 Y N 2.485 122.978 120.300 0.321 0.000 2.615 445 Y HA 0.828 5.370 4.550 -0.013 0.000 0.341 445 Y C -0.839 175.396 175.900 0.557 0.000 1.089 445 Y CA -1.036 57.304 58.100 0.400 0.000 1.049 445 Y CB 1.694 40.310 38.460 0.260 0.000 1.296 445 Y HN 0.693 nan 8.280 nan 0.000 0.470 446 E N 1.980 122.609 120.200 0.715 0.000 2.187 446 E HA 0.688 5.030 4.350 -0.014 0.000 0.268 446 E C -0.876 175.971 176.600 0.412 0.000 0.896 446 E CA -1.131 55.532 56.400 0.438 0.000 0.766 446 E CB 1.753 31.721 29.700 0.446 0.000 1.142 446 E HN 1.052 nan 8.360 nan 0.000 0.408 447 A N 4.299 127.244 122.820 0.208 0.000 2.483 447 A HA 0.089 4.401 4.320 -0.014 0.000 0.238 447 A C 0.888 178.716 177.584 0.407 0.000 1.070 447 A CA 0.008 52.224 52.037 0.298 0.000 0.770 447 A CB 0.218 19.252 19.000 0.055 0.000 1.008 447 A HN 0.847 nan 8.150 nan 0.000 0.497 448 L N 1.266 122.837 121.223 0.580 0.000 2.492 448 L HA 0.093 4.424 4.340 -0.014 0.000 0.223 448 L C 0.940 177.966 176.870 0.260 0.000 1.132 448 L CA 1.011 56.030 54.840 0.298 0.000 0.850 448 L CB -0.603 41.459 42.059 0.005 0.000 0.966 448 L HN 0.912 nan 8.230 nan 0.000 0.454 449 S N -3.870 112.006 115.700 0.292 0.000 2.643 449 S HA 0.016 4.477 4.470 -0.014 0.000 0.266 449 S C -0.114 174.679 174.600 0.321 0.000 1.130 449 S CA -0.926 57.435 58.200 0.269 0.000 0.817 449 S CB 0.132 63.468 63.200 0.227 0.000 1.107 449 S HN 0.194 nan 8.310 nan 0.000 0.471 450 W N 1.224 122.612 121.300 0.148 0.000 2.335 450 W HA -0.187 4.464 4.660 -0.015 0.000 0.311 450 W C 1.582 178.235 176.519 0.224 0.000 1.213 450 W CA 2.492 59.945 57.345 0.180 0.000 1.274 450 W CB -0.432 29.112 29.460 0.140 0.000 1.148 450 W HN 0.871 nan 8.180 nan 0.000 0.498 451 Q N -0.975 118.993 119.800 0.281 0.000 2.084 451 Q HA -0.256 4.075 4.340 -0.014 0.000 0.202 451 Q C 2.284 178.396 176.000 0.187 0.000 0.978 451 Q CA 2.176 58.096 55.803 0.194 0.000 0.844 451 Q CB -1.364 27.510 28.738 0.227 0.000 0.898 451 Q HN 0.497 nan 8.270 nan 0.000 0.426 452 H N -0.585 118.550 119.070 0.109 0.000 2.352 452 H HA -0.109 4.439 4.556 -0.014 0.000 0.299 452 H C 1.906 177.336 175.328 0.169 0.000 1.097 452 H CA 1.176 57.303 56.048 0.132 0.000 1.311 452 H CB -0.063 29.760 29.762 0.101 0.000 1.377 452 H HN 0.387 nan 8.280 nan 0.000 0.504 453 G N 0.299 109.091 108.800 -0.014 0.000 2.440 453 G HA2 -0.229 3.723 3.960 -0.014 0.000 0.218 453 G HA3 -0.229 3.723 3.960 -0.014 0.000 0.218 453 G C 1.859 176.651 174.900 -0.179 0.000 1.154 453 G CA 1.057 46.087 45.100 -0.117 0.000 0.767 453 G HN 0.348 nan 8.290 nan 0.000 0.552 454 V N 0.486 120.270 119.914 -0.217 0.000 2.407 454 V HA -0.132 3.980 4.120 -0.014 0.000 0.248 454 V C 2.315 178.369 176.094 -0.067 0.000 1.055 454 V CA 1.797 64.014 62.300 -0.137 0.000 1.049 454 V CB -0.636 31.158 31.823 -0.049 0.000 0.662 454 V HN 0.423 nan 8.190 nan 0.000 0.455 455 F N 0.832 120.719 119.950 -0.104 0.000 2.134 455 F HA -0.176 4.342 4.527 -0.014 0.000 0.299 455 F C 2.210 177.918 175.800 -0.153 0.000 1.097 455 F CA 1.832 59.801 58.000 -0.052 0.000 1.264 455 F CB -0.424 38.601 39.000 0.041 0.000 1.001 455 F HN -0.036 nan 8.300 nan 0.000 0.479 456 V N 0.864 120.580 119.914 -0.329 0.000 2.332 456 V HA -0.267 3.845 4.120 -0.014 0.000 0.248 456 V C 2.800 178.454 176.094 -0.733 0.000 1.055 456 V CA 1.989 64.028 62.300 -0.436 0.000 1.038 456 V CB -1.712 29.994 31.823 -0.196 0.000 0.651 456 V HN 0.586 nan 8.190 nan 0.000 0.450 457 G N -0.366 107.682 108.800 -1.252 0.000 2.446 457 G HA2 -0.247 3.705 3.960 -0.014 0.000 0.217 457 G HA3 -0.247 3.705 3.960 -0.014 0.000 0.217 457 G C 1.739 175.934 174.900 -1.175 0.000 1.168 457 G CA 1.069 44.758 45.100 -2.352 0.000 0.771 457 G HN 0.630 nan 8.290 nan 0.000 0.551 458 A N 0.727 123.249 122.820 -0.496 0.000 2.015 458 A HA 0.400 4.712 4.320 -0.014 0.000 0.219 458 A C 2.565 180.100 177.584 -0.083 0.000 1.163 458 A CA 1.939 54.032 52.037 0.093 0.000 0.646 458 A CB -0.392 18.724 19.000 0.193 0.000 0.806 458 A HN 0.808 nan 8.150 nan 0.000 0.448 459 A N -1.138 121.433 122.820 -0.414 0.000 2.251 459 A HA 0.417 4.729 4.320 -0.014 0.000 0.209 459 A C 0.995 178.430 177.584 -0.248 0.000 1.187 459 A CA -0.268 51.548 52.037 -0.368 0.000 0.823 459 A CB -0.488 18.098 19.000 -0.689 0.000 0.846 459 A HN 0.515 nan 8.150 nan 0.000 0.486 460 M N 0.925 120.373 119.600 -0.254 0.000 2.261 460 M HA 0.087 4.559 4.480 -0.014 0.000 0.350 460 M C 0.156 176.342 176.300 -0.190 0.000 1.343 460 M CA 1.072 56.275 55.300 -0.161 0.000 1.003 460 M CB 0.192 32.697 32.600 -0.158 0.000 1.848 460 M HN 0.316 nan 8.290 nan 0.000 0.456 461 R N 1.191 121.585 120.500 -0.178 0.000 2.808 461 R HA 0.730 5.062 4.340 -0.014 0.000 0.272 461 R C -1.293 174.913 176.300 -0.157 0.000 0.995 461 R CA -0.861 55.073 56.100 -0.277 0.000 0.917 461 R CB 2.434 32.468 30.300 -0.444 0.000 1.217 461 R HN 0.631 nan 8.270 nan 0.000 0.471 462 S N 0.159 115.758 115.700 -0.169 0.000 2.535 462 S HA 0.116 4.578 4.470 -0.014 0.000 0.272 462 S C -1.464 173.055 174.600 -0.135 0.000 1.149 462 S CA -0.745 57.375 58.200 -0.132 0.000 0.888 462 S CB 1.647 64.776 63.200 -0.118 0.000 1.110 462 S HN 0.593 nan 8.310 nan 0.000 0.463 463 E N 2.498 122.620 120.200 -0.130 0.000 2.417 463 E HA 0.420 4.762 4.350 -0.014 0.000 0.261 463 E C 0.549 177.082 176.600 -0.112 0.000 1.000 463 E CA -0.047 56.286 56.400 -0.112 0.000 0.919 463 E CB 0.691 30.331 29.700 -0.101 0.000 0.955 463 E HN 0.677 nan 8.360 nan 0.000 0.455 474 V N 3.774 123.663 119.914 -0.042 0.000 2.540 474 V HA 0.540 4.652 4.120 -0.014 0.000 0.302 474 V C -0.495 175.558 176.094 -0.068 0.000 1.035 474 V CA -0.912 61.359 62.300 -0.047 0.000 0.873 474 V CB 1.712 33.511 31.823 -0.039 0.000 0.992 474 V HN 0.586 nan 8.190 nan 0.000 0.428 475 I N 5.602 126.121 120.570 -0.085 0.000 2.297 475 I HA 0.391 4.553 4.170 -0.014 0.000 0.291 475 I C 0.022 176.040 176.117 -0.165 0.000 1.033 475 I CA -0.105 61.118 61.300 -0.128 0.000 1.253 475 I CB 1.240 39.153 38.000 -0.145 0.000 1.396 475 I HN 0.447 nan 8.210 nan 0.000 0.476 476 M N 5.128 124.626 119.600 -0.169 0.000 2.478 476 M HA 0.355 4.827 4.480 -0.014 0.000 0.327 476 M C 0.145 176.278 176.300 -0.278 0.000 1.187 476 M CA -0.577 54.628 55.300 -0.157 0.000 1.022 476 M CB 1.134 33.678 32.600 -0.092 0.000 1.629 476 M HN 0.362 nan 8.290 nan 0.000 0.461 477 H N 1.249 120.152 119.070 -0.278 0.000 2.610 477 H HA 0.178 4.725 4.556 -0.013 0.000 0.336 477 H C -0.704 174.463 175.328 -0.269 0.000 1.087 477 H CA 0.373 56.161 56.048 -0.432 0.000 1.405 477 H CB 0.978 30.124 29.762 -1.027 0.000 1.460 477 H HN 0.423 nan 8.280 nan 0.000 0.538 478 D N 4.438 124.763 120.400 -0.124 0.000 2.714 478 D HA 0.152 4.783 4.640 -0.014 0.000 0.264 478 D C -2.699 173.570 176.300 -0.051 0.000 1.231 478 D CA -1.722 52.235 54.000 -0.072 0.000 0.802 478 D CB 0.918 41.686 40.800 -0.052 0.000 1.319 478 D HN 0.255 nan 8.370 nan 0.000 0.528 479 P HA 0.034 nan 4.420 nan 0.000 0.264 479 P C 0.289 177.719 177.300 0.217 0.000 1.193 479 P CA -0.047 63.084 63.100 0.051 0.000 0.763 479 P CB 0.136 31.840 31.700 0.007 0.000 0.810 480 F N 1.412 121.291 119.950 -0.119 0.000 3.021 480 F HA -0.304 4.215 4.527 -0.014 0.000 0.294 480 F C 1.469 177.340 175.800 0.117 0.000 0.761 480 F CA 1.157 59.149 58.000 -0.013 0.000 1.102 480 F CB -2.654 36.450 39.000 0.173 0.000 1.380 480 F HN 0.590 nan 8.300 nan 0.000 0.387 481 A N -1.584 121.345 122.820 0.182 0.000 2.816 481 A HA -0.301 4.011 4.320 -0.014 0.000 0.270 481 A C 1.369 179.124 177.584 0.284 0.000 1.413 481 A CA 1.663 53.842 52.037 0.236 0.000 0.866 481 A CB -1.455 17.704 19.000 0.265 0.000 1.032 481 A HN 0.427 nan 8.150 nan 0.000 0.642 482 M N -1.576 118.006 119.600 -0.030 0.000 2.333 482 M HA 0.142 4.613 4.480 -0.014 0.000 0.257 482 M C 1.656 177.394 176.300 -0.938 0.000 1.078 482 M CA 0.444 55.466 55.300 -0.464 0.000 1.005 482 M CB -0.419 31.612 32.600 -0.949 0.000 1.444 482 M HN 0.628 nan 8.290 nan 0.000 0.496 483 R N 1.692 121.892 120.500 -0.500 0.000 2.113 483 R HA -0.163 4.169 4.340 -0.014 0.000 0.244 483 R C -1.017 175.035 176.300 -0.413 0.000 1.142 483 R CA 1.868 57.778 56.100 -0.317 0.000 0.953 483 R CB -0.999 29.221 30.300 -0.134 0.000 0.860 483 R HN 0.186 nan 8.270 nan 0.000 0.438 484 P HA -0.014 nan 4.420 nan 0.000 0.241 484 P C -0.020 176.779 177.300 -0.835 0.000 1.191 484 P CA 0.987 63.565 63.100 -0.870 0.000 0.771 484 P CB 0.150 31.032 31.700 -1.364 0.000 0.929 485 F N -3.509 116.257 119.950 -0.306 0.000 2.746 485 F HA 0.308 4.827 4.527 -0.013 0.000 0.320 485 F C 0.621 176.256 175.800 -0.275 0.000 1.097 485 F CA -1.122 56.709 58.000 -0.281 0.000 1.195 485 F CB -0.740 38.084 39.000 -0.293 0.000 1.056 485 F HN -0.313 nan 8.300 nan 0.000 0.562 486 F N 1.079 120.999 119.950 -0.051 0.000 2.602 486 F HA 0.290 4.809 4.527 -0.013 0.000 0.385 486 F C 1.690 177.454 175.800 -0.060 0.000 1.063 486 F CA -0.006 57.910 58.000 -0.140 0.000 1.233 486 F CB 0.289 39.124 39.000 -0.275 0.000 1.067 486 F HN 0.100 nan 8.300 nan 0.000 0.564 487 G N 2.895 111.822 108.800 0.212 0.000 2.880 487 G HA2 0.132 4.084 3.960 -0.014 0.000 0.209 487 G HA3 0.132 4.084 3.960 -0.014 0.000 0.209 487 G C -0.478 174.611 174.900 0.316 0.000 1.157 487 G CA 0.497 45.729 45.100 0.220 0.000 0.779 487 G HN 0.677 nan 8.290 nan 0.000 0.539 488 Y N -2.839 117.535 120.300 0.124 0.000 2.788 488 Y HA 0.470 5.012 4.550 -0.014 0.000 0.335 488 Y C -0.667 175.262 175.900 0.048 0.000 1.287 488 Y CA -2.340 55.802 58.100 0.070 0.000 1.068 488 Y CB 0.119 38.599 38.460 0.034 0.000 1.340 488 Y HN -0.156 nan 8.280 nan 0.000 0.449 489 N N 1.728 120.450 118.700 0.036 0.000 2.315 489 N HA -0.142 4.590 4.740 -0.014 0.000 0.270 489 N C 0.529 175.875 175.510 -0.273 0.000 1.329 489 N CA 0.479 53.478 53.050 -0.085 0.000 0.860 489 N CB 0.083 38.582 38.487 0.019 0.000 1.095 489 N HN 0.797 nan 8.380 nan 0.000 0.487 490 F N 4.597 124.198 119.950 -0.582 0.000 2.216 490 F HA 0.042 4.560 4.527 -0.014 0.000 0.300 490 F C 1.962 177.553 175.800 -0.348 0.000 1.085 490 F CA 1.707 59.208 58.000 -0.833 0.000 1.326 490 F CB -0.559 37.772 39.000 -1.114 0.000 1.027 490 F HN 0.545 nan 8.300 nan 0.000 0.497 491 G N 0.713 109.271 108.800 -0.402 0.000 2.418 491 G HA2 -0.232 3.720 3.960 -0.014 0.000 0.217 491 G HA3 -0.232 3.720 3.960 -0.014 0.000 0.217 491 G C 1.778 176.575 174.900 -0.173 0.000 1.158 491 G CA 0.598 45.484 45.100 -0.356 0.000 0.771 491 G HN 0.195 nan 8.290 nan 0.000 0.545 492 K N -0.075 120.301 120.400 -0.040 0.000 2.097 492 K HA -0.067 4.244 4.320 -0.014 0.000 0.205 492 K C 2.030 178.798 176.600 0.281 0.000 1.050 492 K CA 0.793 57.162 56.287 0.138 0.000 0.938 492 K CB -0.672 31.976 32.500 0.246 0.000 0.718 492 K HN 0.514 nan 8.250 nan 0.000 0.442 493 Y N 1.881 122.189 120.300 0.014 0.000 2.145 493 Y HA -0.185 4.357 4.550 -0.014 0.000 0.286 493 Y C 2.017 177.991 175.900 0.124 0.000 1.145 493 Y CA 1.365 59.518 58.100 0.088 0.000 1.148 493 Y CB -0.363 37.969 38.460 -0.213 0.000 0.981 493 Y HN -0.099 nan 8.280 nan 0.000 0.507 494 L N -0.081 121.139 121.223 -0.004 0.000 2.012 494 L HA -0.268 4.064 4.340 -0.014 0.000 0.210 494 L C 2.855 179.781 176.870 0.094 0.000 1.073 494 L CA 1.315 56.113 54.840 -0.070 0.000 0.748 494 L CB -1.138 40.758 42.059 -0.271 0.000 0.891 494 L HN 0.375 nan 8.230 nan 0.000 0.431 495 A N -0.608 122.269 122.820 0.095 0.000 1.917 495 A HA -0.327 3.985 4.320 -0.014 0.000 0.219 495 A C 2.111 179.826 177.584 0.219 0.000 1.182 495 A CA 2.216 54.343 52.037 0.150 0.000 0.633 495 A CB -0.883 18.186 19.000 0.115 0.000 0.819 495 A HN 0.541 nan 8.150 nan 0.000 0.448 496 H N -2.273 116.876 119.070 0.131 0.000 2.321 496 H HA -0.174 4.374 4.556 -0.014 0.000 0.300 496 H C 1.775 177.188 175.328 0.141 0.000 1.087 496 H CA 2.096 58.205 56.048 0.102 0.000 1.319 496 H CB -0.395 29.415 29.762 0.081 0.000 1.379 496 H HN 0.625 nan 8.280 nan 0.000 0.501 497 W N 0.578 121.846 121.300 -0.053 0.000 2.335 497 W HA -0.138 4.513 4.660 -0.015 0.000 0.311 497 W C 2.453 179.182 176.519 0.350 0.000 1.213 497 W CA 1.484 58.871 57.345 0.071 0.000 1.274 497 W CB -0.526 28.909 29.460 -0.042 0.000 1.148 497 W HN 0.196 nan 8.180 nan 0.000 0.498 498 L N 0.183 121.706 121.223 0.500 0.000 2.131 498 L HA -0.240 4.092 4.340 -0.014 0.000 0.210 498 L C 2.656 179.776 176.870 0.417 0.000 1.092 498 L CA 1.616 56.757 54.840 0.502 0.000 0.759 498 L CB -1.192 41.071 42.059 0.340 0.000 0.903 498 L HN 0.024 nan 8.230 nan 0.000 0.435 499 S N -0.640 115.220 115.700 0.267 0.000 2.442 499 S HA -0.175 4.287 4.470 -0.014 0.000 0.236 499 S C 1.992 176.626 174.600 0.057 0.000 1.007 499 S CA 0.758 59.067 58.200 0.182 0.000 0.965 499 S CB -0.211 63.046 63.200 0.095 0.000 0.773 499 S HN 0.271 nan 8.310 nan 0.000 0.504 500 M N 1.781 121.380 119.600 -0.002 0.000 2.279 500 M HA 0.102 4.574 4.480 -0.014 0.000 0.264 500 M C 2.511 178.516 176.300 -0.492 0.000 1.062 500 M CA 1.311 56.455 55.300 -0.261 0.000 1.099 500 M CB -1.938 30.548 32.600 -0.191 0.000 1.394 500 M HN 0.571 nan 8.290 nan 0.000 0.426 501 A N -0.862 121.706 122.820 -0.420 0.000 2.121 501 A HA -0.139 4.173 4.320 -0.014 0.000 0.218 501 A C 1.632 178.886 177.584 -0.549 0.000 1.154 501 A CA 1.145 52.849 52.037 -0.553 0.000 0.679 501 A CB -0.783 17.983 19.000 -0.389 0.000 0.795 501 A HN 0.553 nan 8.150 nan 0.000 0.458 502 H N -1.615 117.360 119.070 -0.158 0.000 2.652 502 H HA 0.171 4.719 4.556 -0.013 0.000 0.274 502 H C 0.509 175.746 175.328 -0.150 0.000 1.021 502 H CA -0.240 55.738 56.048 -0.117 0.000 1.187 502 H CB 0.114 29.843 29.762 -0.056 0.000 1.505 502 H HN 0.390 nan 8.280 nan 0.000 0.530 503 R N 2.762 123.164 120.500 -0.164 0.000 2.442 503 R HA 0.110 4.442 4.340 -0.014 0.000 0.291 503 R C -2.468 173.702 176.300 -0.216 0.000 1.069 503 R CA -1.443 54.531 56.100 -0.210 0.000 1.022 503 R CB 0.316 30.397 30.300 -0.366 0.000 0.976 503 R HN -0.053 nan 8.270 nan 0.000 0.443 504 P HA -0.002 nan 4.420 nan 0.000 0.263 504 P C -0.314 176.896 177.300 -0.150 0.000 1.195 504 P CA 0.842 63.871 63.100 -0.118 0.000 0.762 504 P CB 1.090 32.746 31.700 -0.074 0.000 0.799 505 A N 2.770 125.504 122.820 -0.144 0.000 3.829 505 A HA -0.168 4.144 4.320 -0.014 0.000 0.264 505 A C 1.000 178.475 177.584 -0.181 0.000 0.998 505 A CA 0.758 52.718 52.037 -0.128 0.000 1.270 505 A CB -2.503 16.449 19.000 -0.080 0.000 1.063 505 A HN 0.810 nan 8.150 nan 0.000 0.879 506 A N 0.343 122.961 122.820 -0.337 0.000 2.566 506 A HA 0.402 4.714 4.320 -0.014 0.000 0.245 506 A C 0.445 177.828 177.584 -0.335 0.000 1.056 506 A CA 1.127 52.820 52.037 -0.573 0.000 0.757 506 A CB -0.148 18.132 19.000 -1.199 0.000 0.979 506 A HN 0.545 nan 8.150 nan 0.000 0.508 507 K N 3.295 123.641 120.400 -0.091 0.000 2.266 507 K HA 0.364 4.675 4.320 -0.014 0.000 0.274 507 K C -0.976 175.671 176.600 0.077 0.000 1.090 507 K CA 0.027 56.312 56.287 -0.004 0.000 0.925 507 K CB 0.811 33.344 32.500 0.054 0.000 1.225 507 K HN 0.627 nan 8.250 nan 0.000 0.458 508 L N 5.817 126.991 121.223 -0.082 0.000 2.361 508 L HA 0.216 4.548 4.340 -0.014 0.000 0.278 508 L C -1.752 175.186 176.870 0.113 0.000 1.113 508 L CA -1.948 52.817 54.840 -0.124 0.000 0.849 508 L CB -0.048 41.780 42.059 -0.385 0.000 1.155 508 L HN 0.364 nan 8.230 nan 0.000 0.452 509 P HA 0.108 nan 4.420 nan 0.000 0.274 509 P C -0.706 176.756 177.300 0.270 0.000 1.237 509 P CA -0.664 62.578 63.100 0.237 0.000 0.793 509 P CB 0.733 32.581 31.700 0.247 0.000 0.977 510 K N 1.317 121.792 120.400 0.124 0.000 2.382 510 K HA 0.252 4.564 4.320 -0.014 0.000 0.275 510 K C -0.308 176.197 176.600 -0.157 0.000 1.009 510 K CA -0.079 56.171 56.287 -0.061 0.000 0.970 510 K CB -0.037 32.342 32.500 -0.200 0.000 0.934 510 K HN 0.388 nan 8.250 nan 0.000 0.479 511 I N 4.887 125.289 120.570 -0.281 0.000 2.404 511 I HA 0.312 4.474 4.170 -0.014 0.000 0.293 511 I C -0.813 175.032 176.117 -0.453 0.000 0.992 511 I CA -0.758 60.404 61.300 -0.229 0.000 1.149 511 I CB 0.940 38.913 38.000 -0.045 0.000 1.315 511 I HN 0.473 nan 8.210 nan 0.000 0.446 512 F N 3.822 123.769 119.950 -0.005 0.000 2.598 512 F HA 0.519 5.040 4.527 -0.011 0.000 0.327 512 F C 0.104 175.851 175.800 -0.090 0.000 1.057 512 F CA -0.716 57.280 58.000 -0.006 0.000 0.957 512 F CB 1.421 40.449 39.000 0.047 0.000 1.278 512 F HN 0.370 nan 8.300 nan 0.000 0.484 513 H N 1.191 120.145 119.070 -0.193 0.000 2.667 513 H HA 0.680 5.228 4.556 -0.013 0.000 0.353 513 H C -1.582 173.550 175.328 -0.327 0.000 1.072 513 H CA -0.642 55.199 56.048 -0.346 0.000 1.214 513 H CB 1.966 31.281 29.762 -0.744 0.000 1.600 513 H HN 0.583 nan 8.280 nan 0.000 0.527 514 V N 2.768 122.322 119.914 -0.599 0.000 3.046 514 V HA 0.569 4.681 4.120 -0.014 0.000 0.316 514 V C -0.540 175.125 176.094 -0.715 0.000 1.104 514 V CA -0.967 60.942 62.300 -0.651 0.000 1.006 514 V CB 2.003 33.186 31.823 -1.066 0.000 1.058 514 V HN 0.774 nan 8.190 nan 0.000 0.440 515 N N 1.145 119.479 118.700 -0.611 0.000 2.594 515 N HA 0.397 5.129 4.740 -0.014 0.000 0.280 515 N C -0.454 174.859 175.510 -0.328 0.000 1.156 515 N CA -0.639 52.174 53.050 -0.395 0.000 0.831 515 N CB 1.061 39.491 38.487 -0.096 0.000 1.379 515 N HN 0.920 nan 8.380 nan 0.000 0.536 516 W N 1.916 122.913 121.300 -0.505 0.000 3.047 516 W HA 0.188 4.842 4.660 -0.010 0.000 0.250 516 W C 0.144 176.147 176.519 -0.860 0.000 1.314 516 W CA -0.299 56.545 57.345 -0.834 0.000 1.540 516 W CB 0.193 28.810 29.460 -1.405 0.000 1.127 516 W HN 0.434 nan 8.180 nan 0.000 0.679 517 F N -0.132 119.836 119.950 0.031 0.000 2.683 517 F HA 0.292 4.812 4.527 -0.012 0.000 0.306 517 F C 1.179 177.138 175.800 0.266 0.000 1.102 517 F CA -0.821 57.253 58.000 0.123 0.000 1.244 517 F CB -0.345 38.704 39.000 0.082 0.000 1.029 517 F HN -0.395 nan 8.300 nan 0.000 0.545 518 R N 2.207 122.857 120.500 0.250 0.000 2.570 518 R HA 0.213 4.545 4.340 -0.014 0.000 0.277 518 R C -0.352 176.075 176.300 0.212 0.000 1.039 518 R CA 0.389 56.581 56.100 0.154 0.000 1.065 518 R CB 0.511 30.824 30.300 0.021 0.000 0.964 518 R HN 0.139 nan 8.270 nan 0.000 0.428 519 K N 2.265 122.728 120.400 0.106 0.000 2.328 519 K HA 0.173 4.485 4.320 -0.014 0.000 0.246 519 K C -0.723 175.876 176.600 -0.000 0.000 0.955 519 K CA -1.016 55.292 56.287 0.035 0.000 0.817 519 K CB 1.464 33.926 32.500 -0.063 0.000 1.208 519 K HN 0.648 nan 8.250 nan 0.000 0.432 520 D N 0.625 121.019 120.400 -0.009 0.000 2.440 520 D HA -0.026 4.605 4.640 -0.014 0.000 0.269 520 D C 0.813 177.097 176.300 -0.026 0.000 1.249 520 D CA -0.296 53.697 54.000 -0.011 0.000 1.055 520 D CB 0.449 41.249 40.800 0.001 0.000 1.104 520 D HN 0.527 nan 8.370 nan 0.000 0.561 521 K N -0.567 119.822 120.400 -0.019 0.000 2.280 521 K HA -0.134 4.178 4.320 -0.014 0.000 0.202 521 K C 0.535 177.120 176.600 -0.026 0.000 1.047 521 K CA 1.227 57.502 56.287 -0.020 0.000 0.942 521 K CB -0.598 31.895 32.500 -0.011 0.000 0.739 521 K HN 0.370 nan 8.250 nan 0.000 0.457 522 N N 0.185 118.866 118.700 -0.030 0.000 2.336 522 N HA 0.101 4.833 4.740 -0.014 0.000 0.189 522 N C 0.408 175.882 175.510 -0.060 0.000 1.113 522 N CA 0.325 53.353 53.050 -0.037 0.000 0.858 522 N CB 1.038 39.508 38.487 -0.028 0.000 0.970 522 N HN 0.445 nan 8.380 nan 0.000 0.471 523 G N 1.190 109.943 108.800 -0.078 0.000 2.143 523 G HA2 -0.322 3.629 3.960 -0.014 0.000 0.249 523 G HA3 -0.322 3.629 3.960 -0.014 0.000 0.249 523 G C 0.001 174.772 174.900 -0.215 0.000 0.981 523 G CA -0.144 44.876 45.100 -0.133 0.000 0.665 523 G HN 0.350 nan 8.290 nan 0.000 0.528 524 K N 0.038 120.349 120.400 -0.148 0.000 2.174 524 K HA 0.564 4.876 4.320 -0.014 0.000 0.275 524 K C 0.070 176.608 176.600 -0.103 0.000 1.015 524 K CA -0.895 55.304 56.287 -0.146 0.000 0.933 524 K CB 0.213 32.688 32.500 -0.042 0.000 1.025 524 K HN -0.076 nan 8.250 nan 0.000 0.463 525 F N 4.070 124.046 119.950 0.043 0.000 2.578 525 F HA -0.009 4.510 4.527 -0.013 0.000 0.376 525 F C 1.367 177.194 175.800 0.044 0.000 1.085 525 F CA 0.143 58.173 58.000 0.050 0.000 1.260 525 F CB 0.236 39.263 39.000 0.045 0.000 1.095 525 F HN 0.504 nan 8.300 nan 0.000 0.573 526 L N 3.061 124.446 121.223 0.270 0.000 2.313 526 L HA -0.049 4.283 4.340 -0.014 0.000 0.214 526 L C 0.438 177.461 176.870 0.254 0.000 1.119 526 L CA 0.585 55.540 54.840 0.191 0.000 0.809 526 L CB 0.037 42.175 42.059 0.132 0.000 0.933 526 L HN 0.566 nan 8.230 nan 0.000 0.449 527 W N 1.677 122.981 121.300 0.007 0.000 2.600 527 W HA 0.254 4.905 4.660 -0.015 0.000 0.325 527 W C -1.922 174.525 176.519 -0.121 0.000 1.034 527 W CA -1.863 55.434 57.345 -0.078 0.000 1.226 527 W CB 1.995 31.375 29.460 -0.133 0.000 1.379 527 W HN -0.175 nan 8.180 nan 0.000 0.466 528 P HA -0.043 nan 4.420 nan 0.000 0.218 528 P C 0.978 177.949 177.300 -0.549 0.000 1.149 528 P CA 2.075 64.880 63.100 -0.492 0.000 0.817 528 P CB 0.523 31.903 31.700 -0.534 0.000 0.785 529 G N -0.741 107.478 108.800 -0.969 0.000 2.598 529 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.244 529 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.244 529 G C 0.080 174.634 174.900 -0.576 0.000 1.302 529 G CA -0.153 44.463 45.100 -0.805 0.000 0.903 529 G HN 0.167 nan 8.290 nan 0.000 0.575 530 F N -1.866 117.755 119.950 -0.548 0.000 2.512 530 F HA -0.295 4.223 4.527 -0.015 0.000 0.290 530 F C 2.717 178.307 175.800 -0.351 0.000 1.459 530 F CA 2.868 60.637 58.000 -0.385 0.000 1.366 530 F CB -1.718 37.118 39.000 -0.274 0.000 3.242 530 F HN 1.677 nan 8.300 nan 0.000 0.190 531 G N -0.308 108.478 108.800 -0.024 0.000 2.479 531 G HA2 -0.160 3.792 3.960 -0.014 0.000 0.220 531 G HA3 -0.160 3.792 3.960 -0.014 0.000 0.220 531 G C 1.132 175.934 174.900 -0.162 0.000 1.115 531 G CA 1.185 46.227 45.100 -0.097 0.000 0.757 531 G HN 0.557 nan 8.290 nan 0.000 0.560 532 E N 1.124 121.181 120.200 -0.239 0.000 2.418 532 E HA -0.046 4.296 4.350 -0.014 0.000 0.197 532 E C 1.825 178.355 176.600 -0.117 0.000 1.026 532 E CA 0.140 56.368 56.400 -0.286 0.000 0.862 532 E CB -0.215 29.124 29.700 -0.603 0.000 0.799 532 E HN 0.329 nan 8.360 nan 0.000 0.518 533 N N 0.869 119.434 118.700 -0.225 0.000 2.443 533 N HA -0.103 4.629 4.740 -0.014 0.000 0.184 533 N C 1.646 177.064 175.510 -0.154 0.000 1.037 533 N CA 0.520 53.393 53.050 -0.295 0.000 0.896 533 N CB -0.226 37.748 38.487 -0.855 0.000 0.959 533 N HN 0.032 nan 8.380 nan 0.000 0.442 534 S N 0.771 116.375 115.700 -0.161 0.000 2.419 534 S HA -0.053 4.409 4.470 -0.014 0.000 0.235 534 S C 1.829 176.242 174.600 -0.312 0.000 1.019 534 S CA 0.922 58.983 58.200 -0.232 0.000 0.982 534 S CB 0.122 63.178 63.200 -0.240 0.000 0.789 534 S HN 0.320 nan 8.310 nan 0.000 0.490 535 R N -0.032 120.387 120.500 -0.136 0.000 2.090 535 R HA 0.026 4.358 4.340 -0.014 0.000 0.228 535 R C 2.223 178.510 176.300 -0.023 0.000 1.110 535 R CA 1.400 57.457 56.100 -0.071 0.000 0.973 535 R CB -0.447 29.941 30.300 0.146 0.000 0.869 535 R HN 0.309 nan 8.270 nan 0.000 0.440 536 V N 1.539 121.466 119.914 0.021 0.000 2.358 536 V HA -0.192 3.920 4.120 -0.014 0.000 0.246 536 V C 2.280 178.408 176.094 0.056 0.000 1.047 536 V CA 1.546 63.879 62.300 0.055 0.000 1.035 536 V CB -0.417 31.470 31.823 0.105 0.000 0.658 536 V HN 0.277 nan 8.190 nan 0.000 0.452 537 L N 0.049 121.254 121.223 -0.029 0.000 2.083 537 L HA -0.228 4.104 4.340 -0.014 0.000 0.209 537 L C 2.597 179.405 176.870 -0.104 0.000 1.083 537 L CA 2.123 56.927 54.840 -0.060 0.000 0.752 537 L CB -0.684 41.340 42.059 -0.058 0.000 0.899 537 L HN 0.487 nan 8.230 nan 0.000 0.433 538 E N -0.010 119.981 120.200 -0.348 0.000 2.070 538 E HA -0.311 4.030 4.350 -0.014 0.000 0.197 538 E C 2.128 178.778 176.600 0.083 0.000 1.004 538 E CA 1.932 58.099 56.400 -0.388 0.000 0.805 538 E CB -0.314 29.032 29.700 -0.589 0.000 0.744 538 E HN 0.473 nan 8.360 nan 0.000 0.451 539 W N 0.829 122.089 121.300 -0.067 0.000 2.363 539 W HA -0.127 4.523 4.660 -0.016 0.000 0.296 539 W C 2.083 178.614 176.519 0.020 0.000 1.212 539 W CA 1.793 59.142 57.345 0.006 0.000 1.260 539 W CB -0.156 29.298 29.460 -0.010 0.000 1.131 539 W HN 0.094 nan 8.180 nan 0.000 0.530 540 M N -1.013 118.533 119.600 -0.090 0.000 2.086 540 M HA -0.183 4.289 4.480 -0.014 0.000 0.261 540 M C 2.149 178.391 176.300 -0.097 0.000 1.067 540 M CA 1.820 56.858 55.300 -0.437 0.000 1.116 540 M CB -1.068 31.093 32.600 -0.732 0.000 1.348 540 M HN 0.017 nan 8.290 nan 0.000 0.407 541 F N 1.012 120.920 119.950 -0.070 0.000 2.095 541 F HA -0.141 4.384 4.527 -0.005 0.000 0.298 541 F C 2.277 178.092 175.800 0.025 0.000 1.104 541 F CA 1.940 59.975 58.000 0.059 0.000 1.232 541 F CB -0.874 38.267 39.000 0.235 0.000 0.987 541 F HN 0.095 nan 8.300 nan 0.000 0.475 542 G N 0.029 109.003 108.800 0.289 0.000 2.418 542 G HA2 -0.214 3.738 3.960 -0.014 0.000 0.217 542 G HA3 -0.214 3.738 3.960 -0.014 0.000 0.217 542 G C 1.854 176.724 174.900 -0.051 0.000 1.158 542 G CA 0.440 45.621 45.100 0.136 0.000 0.771 542 G HN 0.157 nan 8.290 nan 0.000 0.545 543 R N 0.267 120.630 120.500 -0.229 0.000 2.081 543 R HA 0.053 4.384 4.340 -0.014 0.000 0.235 543 R C 2.593 178.840 176.300 -0.089 0.000 1.131 543 R CA 0.733 56.681 56.100 -0.253 0.000 0.960 543 R CB -0.830 29.220 30.300 -0.418 0.000 0.856 543 R HN 0.456 nan 8.270 nan 0.000 0.436 544 I N 0.882 121.438 120.570 -0.023 0.000 2.286 544 I HA -0.232 3.930 4.170 -0.014 0.000 0.248 544 I C 1.878 177.960 176.117 -0.058 0.000 1.115 544 I CA 1.309 62.592 61.300 -0.028 0.000 1.392 544 I CB -0.272 37.692 38.000 -0.060 0.000 1.065 544 I HN 0.200 nan 8.210 nan 0.000 0.418 545 E N 0.458 120.628 120.200 -0.050 0.000 2.418 545 E HA -0.048 4.294 4.350 -0.014 0.000 0.197 545 E C 1.376 177.971 176.600 -0.009 0.000 1.026 545 E CA 0.598 56.990 56.400 -0.014 0.000 0.862 545 E CB 0.060 29.802 29.700 0.069 0.000 0.799 545 E HN 0.631 nan 8.360 nan 0.000 0.518 546 G N 2.243 111.025 108.800 -0.031 0.000 2.131 546 G HA2 -0.292 3.660 3.960 -0.014 0.000 0.223 546 G HA3 -0.292 3.660 3.960 -0.014 0.000 0.223 546 G C -0.072 174.807 174.900 -0.035 0.000 0.990 546 G CA 0.151 45.228 45.100 -0.037 0.000 0.671 546 G HN 0.320 nan 8.290 nan 0.000 0.521 547 E N 0.402 120.580 120.200 -0.036 0.000 2.384 547 E HA 0.306 4.648 4.350 -0.014 0.000 0.266 547 E C -0.083 176.495 176.600 -0.036 0.000 1.012 547 E CA -0.386 56.004 56.400 -0.018 0.000 0.901 547 E CB 0.370 30.073 29.700 0.005 0.000 0.967 547 E HN 0.092 nan 8.360 nan 0.000 0.435 548 D N 2.609 123.007 120.400 -0.003 0.000 2.801 548 D HA 0.009 4.641 4.640 -0.014 0.000 0.232 548 D C -0.045 176.287 176.300 0.052 0.000 1.128 548 D CA 0.092 54.095 54.000 0.005 0.000 1.003 548 D CB -0.355 40.455 40.800 0.017 0.000 1.110 548 D HN 0.296 nan 8.370 nan 0.000 0.477 549 S N -0.482 115.262 115.700 0.074 0.000 2.602 549 S HA 0.567 5.029 4.470 -0.014 0.000 0.240 549 S C 0.446 175.287 174.600 0.402 0.000 0.992 549 S CA -0.610 57.721 58.200 0.218 0.000 0.971 549 S CB 0.642 63.987 63.200 0.243 0.000 0.855 549 S HN 0.268 nan 8.310 nan 0.000 0.481 550 A N 1.403 124.384 122.820 0.269 0.000 2.374 550 A HA 0.776 5.088 4.320 -0.014 0.000 0.317 550 A C -0.598 177.168 177.584 0.304 0.000 1.094 550 A CA -0.816 51.455 52.037 0.388 0.000 0.765 550 A CB 1.548 20.732 19.000 0.307 0.000 1.268 550 A HN 0.343 nan 8.150 nan 0.000 0.438 551 K N 2.403 123.003 120.400 0.334 0.000 2.270 551 K HA 0.545 4.856 4.320 -0.014 0.000 0.255 551 K C -1.265 175.516 176.600 0.301 0.000 0.936 551 K CA -0.573 55.866 56.287 0.253 0.000 0.809 551 K CB 1.225 33.790 32.500 0.108 0.000 1.131 551 K HN 0.731 nan 8.250 nan 0.000 0.427 552 L N 4.364 125.706 121.223 0.198 0.000 2.367 552 L HA 0.209 4.541 4.340 -0.014 0.000 0.275 552 L C 0.061 176.878 176.870 -0.088 0.000 1.129 552 L CA 0.302 55.099 54.840 -0.072 0.000 0.839 552 L CB 1.041 43.035 42.059 -0.108 0.000 1.133 552 L HN 0.939 nan 8.230 nan 0.000 0.453 553 T N 0.757 115.217 114.554 -0.157 0.000 2.887 553 T HA 0.470 4.812 4.350 -0.014 0.000 0.292 553 T C -2.144 172.413 174.700 -0.238 0.000 1.087 553 T CA -1.600 60.403 62.100 -0.161 0.000 1.009 553 T CB 1.792 70.573 68.868 -0.145 0.000 1.203 553 T HN 0.284 nan 8.240 nan 0.000 0.518 554 P HA 0.031 nan 4.420 nan 0.000 0.219 554 P C 1.386 178.457 177.300 -0.383 0.000 1.146 554 P CA 0.862 63.788 63.100 -0.289 0.000 0.808 554 P CB -0.256 31.285 31.700 -0.265 0.000 0.779 555 I N -6.257 114.013 120.570 -0.499 0.000 3.860 555 I HA 0.456 4.618 4.170 -0.014 0.000 0.319 555 I C 0.829 176.775 176.117 -0.286 0.000 1.279 555 I CA 0.080 61.018 61.300 -0.603 0.000 1.220 555 I CB 0.032 37.307 38.000 -1.208 0.000 1.027 555 I HN -0.063 nan 8.210 nan 0.000 0.428 556 G N 0.446 109.131 108.800 -0.191 0.000 2.346 556 G HA2 0.033 3.985 3.960 -0.014 0.000 0.294 556 G HA3 0.033 3.985 3.960 -0.014 0.000 0.294 556 G C -1.571 173.320 174.900 -0.015 0.000 1.294 556 G CA -0.957 44.159 45.100 0.027 0.000 0.962 556 G HN 0.134 nan 8.290 nan 0.000 0.508 557 Y N 0.135 120.602 120.300 0.278 0.000 2.335 557 Y HA 0.462 5.004 4.550 -0.013 0.000 0.331 557 Y C 1.271 177.413 175.900 0.403 0.000 1.094 557 Y CA 0.272 58.555 58.100 0.305 0.000 1.253 557 Y CB 1.472 40.137 38.460 0.342 0.000 1.203 557 Y HN 0.680 nan 8.280 nan 0.000 0.508 558 V N 1.341 121.499 119.914 0.406 0.000 3.019 558 V HA 0.703 4.814 4.120 -0.014 0.000 0.317 558 V C -2.907 173.155 176.094 -0.053 0.000 1.094 558 V CA -3.552 58.834 62.300 0.143 0.000 1.000 558 V CB 1.829 33.687 31.823 0.058 0.000 1.060 558 V HN 0.444 nan 8.190 nan 0.000 0.443 559 P HA 0.199 nan 4.420 nan 0.000 0.266 559 P C -0.469 176.660 177.300 -0.286 0.000 1.195 559 P CA 0.047 62.757 63.100 -0.649 0.000 0.768 559 P CB 0.259 31.228 31.700 -1.218 0.000 0.838 560 K N 1.606 121.989 120.400 -0.028 0.000 2.286 560 K HA 0.037 4.348 4.320 -0.014 0.000 0.256 560 K C 0.410 176.943 176.600 -0.112 0.000 0.999 560 K CA -0.107 56.163 56.287 -0.029 0.000 0.908 560 K CB 0.184 32.720 32.500 0.060 0.000 0.981 560 K HN 0.470 nan 8.250 nan 0.000 0.500 561 E N 1.669 121.820 120.200 -0.083 0.000 2.529 561 E HA -0.160 4.182 4.350 -0.014 0.000 0.259 561 E C -0.522 176.052 176.600 -0.043 0.000 0.966 561 E CA 0.554 56.907 56.400 -0.078 0.000 0.937 561 E CB 0.187 29.863 29.700 -0.041 0.000 0.923 561 E HN 0.504 nan 8.360 nan 0.000 0.468 562 D N 1.135 121.507 120.400 -0.047 0.000 2.978 562 D HA -0.290 4.342 4.640 -0.014 0.000 0.205 562 D C 0.850 177.158 176.300 0.013 0.000 1.093 562 D CA 1.121 55.115 54.000 -0.009 0.000 1.006 562 D CB -1.220 39.587 40.800 0.011 0.000 1.116 562 D HN 0.532 nan 8.370 nan 0.000 0.419 563 A N -0.204 122.615 122.820 -0.001 0.000 1.929 563 A HA 0.064 4.376 4.320 -0.014 0.000 0.216 563 A C 1.189 178.822 177.584 0.083 0.000 1.176 563 A CA 0.526 52.610 52.037 0.078 0.000 0.628 563 A CB 0.068 19.150 19.000 0.137 0.000 0.816 563 A HN 0.205 nan 8.150 nan 0.000 0.444 564 L N 1.125 122.326 121.223 -0.036 0.000 2.360 564 L HA 0.196 4.528 4.340 -0.014 0.000 0.276 564 L C 0.165 177.065 176.870 0.049 0.000 1.121 564 L CA -0.266 54.566 54.840 -0.013 0.000 0.845 564 L CB 0.302 42.304 42.059 -0.096 0.000 1.143 564 L HN 0.299 nan 8.230 nan 0.000 0.452 565 N N 4.847 123.591 118.700 0.073 0.000 2.406 565 N HA 0.053 4.784 4.740 -0.014 0.000 0.265 565 N C -0.024 175.536 175.510 0.083 0.000 1.203 565 N CA 0.350 53.442 53.050 0.069 0.000 0.945 565 N CB 0.308 38.830 38.487 0.057 0.000 1.165 565 N HN 0.635 nan 8.380 nan 0.000 0.485 566 L N 2.378 123.647 121.223 0.077 0.000 2.910 566 L HA 0.252 4.584 4.340 -0.014 0.000 0.252 566 L C 0.890 177.785 176.870 0.041 0.000 1.195 566 L CA -0.212 54.679 54.840 0.085 0.000 1.003 566 L CB 0.046 42.169 42.059 0.105 0.000 1.328 566 L HN 0.364 nan 8.230 nan 0.000 0.540 567 K N 0.847 121.266 120.400 0.031 0.000 2.379 567 K HA 0.340 4.652 4.320 -0.014 0.000 0.284 567 K C 1.110 177.708 176.600 -0.003 0.000 1.044 567 K CA 0.946 57.243 56.287 0.017 0.000 0.974 567 K CB 0.543 33.057 32.500 0.024 0.000 0.962 567 K HN 0.199 nan 8.250 nan 0.000 0.474 568 G N 2.910 111.703 108.800 -0.013 0.000 2.213 568 G HA2 -0.226 3.726 3.960 -0.014 0.000 0.226 568 G HA3 -0.226 3.726 3.960 -0.014 0.000 0.226 568 G C 0.049 174.918 174.900 -0.052 0.000 0.992 568 G CA 0.100 45.181 45.100 -0.032 0.000 0.632 568 G HN 0.488 nan 8.290 nan 0.000 0.511 569 L N -0.377 120.817 121.223 -0.048 0.000 2.985 569 L HA 0.704 5.036 4.340 -0.014 0.000 0.177 569 L C 2.734 179.588 176.870 -0.026 0.000 1.387 569 L CA 2.413 57.215 54.840 -0.063 0.000 0.982 569 L CB -1.234 40.773 42.059 -0.087 0.000 1.376 569 L HN 1.293 nan 8.230 nan 0.000 0.603 570 G N -0.376 108.426 108.800 0.003 0.000 2.377 570 G HA2 -0.324 3.628 3.960 -0.014 0.000 0.250 570 G HA3 -0.324 3.628 3.960 -0.014 0.000 0.250 570 G C 0.607 175.519 174.900 0.018 0.000 1.039 570 G CA 0.780 45.889 45.100 0.015 0.000 0.625 570 G HN 0.521 nan 8.290 nan 0.000 0.526 571 D N 0.810 121.215 120.400 0.007 0.000 2.370 571 D HA 0.350 4.982 4.640 -0.014 0.000 0.230 571 D C 0.631 176.948 176.300 0.028 0.000 1.143 571 D CA -0.073 53.934 54.000 0.012 0.000 0.834 571 D CB 0.071 40.870 40.800 -0.003 0.000 0.944 571 D HN 0.348 nan 8.370 nan 0.000 0.504 572 V N 1.606 121.551 119.914 0.051 0.000 2.432 572 V HA 0.095 4.206 4.120 -0.014 0.000 0.275 572 V C 0.546 176.706 176.094 0.110 0.000 1.043 572 V CA -0.857 61.502 62.300 0.098 0.000 0.925 572 V CB 1.172 33.096 31.823 0.168 0.000 0.985 572 V HN 0.134 nan 8.190 nan 0.000 0.466 573 N N 4.362 123.127 118.700 0.108 0.000 2.739 573 N HA 0.032 4.764 4.740 -0.014 0.000 0.266 573 N C 1.020 176.607 175.510 0.129 0.000 1.168 573 N CA -0.004 53.104 53.050 0.097 0.000 1.055 573 N CB 0.964 39.495 38.487 0.073 0.000 1.393 573 N HN 0.583 nan 8.380 nan 0.000 0.514 574 V N 1.099 121.104 119.914 0.151 0.000 2.343 574 V HA -0.175 3.936 4.120 -0.014 0.000 0.247 574 V C 2.161 178.390 176.094 0.224 0.000 1.051 574 V CA 1.692 64.127 62.300 0.224 0.000 1.036 574 V CB -0.555 31.375 31.823 0.178 0.000 0.654 574 V HN 0.569 nan 8.190 nan 0.000 0.451 575 E N 1.361 121.640 120.200 0.132 0.000 2.110 575 E HA -0.311 4.031 4.350 -0.014 0.000 0.193 575 E C 2.100 178.761 176.600 0.102 0.000 0.988 575 E CA 1.963 58.428 56.400 0.108 0.000 0.804 575 E CB -0.453 29.286 29.700 0.065 0.000 0.745 575 E HN 0.808 nan 8.360 nan 0.000 0.458 576 E N 0.319 120.567 120.200 0.079 0.000 2.107 576 E HA -0.113 4.229 4.350 -0.014 0.000 0.191 576 E C 2.225 178.841 176.600 0.026 0.000 0.982 576 E CA 0.483 56.911 56.400 0.047 0.000 0.809 576 E CB -0.001 29.721 29.700 0.037 0.000 0.756 576 E HN 0.197 nan 8.360 nan 0.000 0.459 577 L N -0.202 121.043 121.223 0.035 0.000 2.083 577 L HA -0.080 4.252 4.340 -0.014 0.000 0.209 577 L C 1.337 178.056 176.870 -0.251 0.000 1.083 577 L CA 1.662 56.448 54.840 -0.091 0.000 0.752 577 L CB -0.183 41.830 42.059 -0.077 0.000 0.899 577 L HN 0.122 nan 8.230 nan 0.000 0.433 578 F N -0.365 119.572 119.950 -0.022 0.000 2.695 578 F HA 0.389 4.907 4.527 -0.015 0.000 0.303 578 F C 1.568 177.360 175.800 -0.012 0.000 1.091 578 F CA -0.139 57.843 58.000 -0.031 0.000 1.300 578 F CB -0.527 38.438 39.000 -0.059 0.000 1.071 578 F HN 0.042 nan 8.300 nan 0.000 0.578 579 G N 1.607 110.476 108.800 0.115 0.000 2.353 579 G HA2 0.305 4.257 3.960 -0.014 0.000 0.239 579 G HA3 0.305 4.257 3.960 -0.014 0.000 0.239 579 G C -0.404 174.548 174.900 0.087 0.000 1.295 579 G CA -0.092 45.057 45.100 0.081 0.000 0.884 579 G HN 0.215 nan 8.290 nan 0.000 0.537 580 I N 1.571 122.201 120.570 0.100 0.000 2.410 580 I HA 0.218 4.379 4.170 -0.014 0.000 0.286 580 I C 0.191 176.421 176.117 0.188 0.000 1.009 580 I CA -0.478 60.916 61.300 0.157 0.000 1.111 580 I CB 2.003 40.007 38.000 0.006 0.000 1.262 580 I HN 0.473 nan 8.210 nan 0.000 0.443 581 S N 5.748 121.639 115.700 0.318 0.000 2.442 581 S HA 0.249 4.711 4.470 -0.014 0.000 0.297 581 S C 1.023 175.832 174.600 0.349 0.000 1.131 581 S CA -0.589 57.769 58.200 0.264 0.000 1.092 581 S CB 1.319 64.646 63.200 0.211 0.000 0.998 581 S HN 0.749 nan 8.310 nan 0.000 0.478 582 K N 3.144 123.670 120.400 0.211 0.000 2.063 582 K HA -0.163 4.149 4.320 -0.014 0.000 0.208 582 K C 1.231 177.943 176.600 0.186 0.000 1.048 582 K CA 2.020 58.417 56.287 0.184 0.000 0.928 582 K CB -0.129 32.431 32.500 0.100 0.000 0.713 582 K HN 0.661 nan 8.250 nan 0.000 0.442 583 E N 0.085 120.376 120.200 0.152 0.000 2.077 583 E HA -0.173 4.169 4.350 -0.014 0.000 0.193 583 E C 1.605 178.263 176.600 0.098 0.000 0.989 583 E CA 1.302 57.765 56.400 0.105 0.000 0.800 583 E CB -0.379 29.372 29.700 0.085 0.000 0.746 583 E HN 0.373 nan 8.360 nan 0.000 0.452 584 F N -0.946 119.004 119.950 0.001 0.000 2.134 584 F HA -0.141 4.378 4.527 -0.013 0.000 0.299 584 F C 1.554 177.218 175.800 -0.226 0.000 1.097 584 F CA 1.379 59.297 58.000 -0.137 0.000 1.264 584 F CB -0.200 38.679 39.000 -0.201 0.000 1.001 584 F HN 0.026 nan 8.300 nan 0.000 0.479 585 W N 1.030 122.383 121.300 0.088 0.000 2.518 585 W HA 0.004 4.656 4.660 -0.014 0.000 0.273 585 W C 2.341 178.816 176.519 -0.074 0.000 1.247 585 W CA 1.043 58.386 57.345 -0.003 0.000 1.288 585 W CB -0.378 29.137 29.460 0.091 0.000 1.107 585 W HN 0.030 nan 8.180 nan 0.000 0.586 586 E N 0.469 120.741 120.200 0.120 0.000 2.051 586 E HA -0.274 4.068 4.350 -0.014 0.000 0.192 586 E C 1.988 178.559 176.600 -0.047 0.000 0.991 586 E CA 1.400 57.826 56.400 0.044 0.000 0.799 586 E CB -0.184 29.537 29.700 0.034 0.000 0.748 586 E HN -0.047 nan 8.360 nan 0.000 0.449 587 K N 1.444 121.756 120.400 -0.147 0.000 2.057 587 K HA -0.213 4.099 4.320 -0.014 0.000 0.207 587 K C 1.902 178.331 176.600 -0.285 0.000 1.049 587 K CA 1.586 57.743 56.287 -0.216 0.000 0.931 587 K CB -0.136 32.192 32.500 -0.286 0.000 0.714 587 K HN -0.078 nan 8.250 nan 0.000 0.440 588 E N 0.029 119.953 120.200 -0.461 0.000 2.051 588 E HA -0.132 4.210 4.350 -0.014 0.000 0.192 588 E C 1.837 178.368 176.600 -0.115 0.000 0.991 588 E CA 1.739 57.863 56.400 -0.461 0.000 0.799 588 E CB -0.332 28.879 29.700 -0.815 0.000 0.748 588 E HN 0.198 nan 8.360 nan 0.000 0.449 589 V N -0.861 119.070 119.914 0.029 0.000 2.332 589 V HA -0.260 3.852 4.120 -0.014 0.000 0.248 589 V C 1.945 178.083 176.094 0.074 0.000 1.055 589 V CA 2.239 64.612 62.300 0.122 0.000 1.038 589 V CB -0.800 31.107 31.823 0.140 0.000 0.651 589 V HN 0.189 nan 8.190 nan 0.000 0.450 590 E N 0.033 120.244 120.200 0.018 0.000 2.051 590 E HA -0.190 4.152 4.350 -0.014 0.000 0.192 590 E C 2.394 179.011 176.600 0.028 0.000 0.991 590 E CA 1.533 57.941 56.400 0.013 0.000 0.799 590 E CB -0.168 29.523 29.700 -0.015 0.000 0.748 590 E HN 0.633 nan 8.360 nan 0.000 0.449 591 E N 0.504 120.709 120.200 0.007 0.000 2.106 591 E HA -0.136 4.206 4.350 -0.014 0.000 0.192 591 E C 2.156 178.850 176.600 0.157 0.000 0.984 591 E CA 0.710 57.145 56.400 0.058 0.000 0.806 591 E CB -0.131 29.566 29.700 -0.004 0.000 0.750 591 E HN 0.361 nan 8.360 nan 0.000 0.458 592 I N 1.435 122.097 120.570 0.153 0.000 2.252 592 I HA -0.242 3.920 4.170 -0.014 0.000 0.245 592 I C 2.371 178.611 176.117 0.204 0.000 1.102 592 I CA 1.136 62.570 61.300 0.224 0.000 1.385 592 I CB -0.230 37.895 38.000 0.208 0.000 1.064 592 I HN 0.012 nan 8.210 nan 0.000 0.414 593 D N 1.594 122.085 120.400 0.151 0.000 2.087 593 D HA -0.211 4.421 4.640 -0.014 0.000 0.192 593 D C 2.106 178.449 176.300 0.071 0.000 0.993 593 D CA 1.651 55.715 54.000 0.107 0.000 0.828 593 D CB -0.011 40.832 40.800 0.072 0.000 0.968 593 D HN 0.186 nan 8.370 nan 0.000 0.448 594 K N -0.912 119.526 120.400 0.064 0.000 2.074 594 K HA -0.218 4.094 4.320 -0.014 0.000 0.209 594 K C 2.347 178.959 176.600 0.021 0.000 1.048 594 K CA 1.348 57.657 56.287 0.037 0.000 0.926 594 K CB -0.421 32.104 32.500 0.042 0.000 0.713 594 K HN 0.300 nan 8.250 nan 0.000 0.444 595 Y N 1.595 121.828 120.300 -0.112 0.000 2.163 595 Y HA -0.151 4.391 4.550 -0.013 0.000 0.288 595 Y C 1.850 177.661 175.900 -0.148 0.000 1.136 595 Y CA 1.292 59.244 58.100 -0.247 0.000 1.147 595 Y CB -0.241 37.816 38.460 -0.672 0.000 0.987 595 Y HN -0.085 nan 8.280 nan 0.000 0.509 596 L N 0.272 121.444 121.223 -0.085 0.000 2.093 596 L HA -0.190 4.142 4.340 -0.014 0.000 0.208 596 L C 2.578 179.366 176.870 -0.136 0.000 1.085 596 L CA 1.862 56.632 54.840 -0.117 0.000 0.755 596 L CB -0.657 41.445 42.059 0.071 0.000 0.904 596 L HN 0.348 nan 8.230 nan 0.000 0.435 597 E N 0.477 120.627 120.200 -0.082 0.000 2.058 597 E HA -0.303 4.039 4.350 -0.014 0.000 0.194 597 E C 1.733 178.268 176.600 -0.109 0.000 0.997 597 E CA 1.949 58.305 56.400 -0.073 0.000 0.801 597 E CB 0.058 29.734 29.700 -0.040 0.000 0.746 597 E HN 0.417 nan 8.360 nan 0.000 0.450 598 D N -0.384 119.931 120.400 -0.142 0.000 2.085 598 D HA -0.159 4.473 4.640 -0.014 0.000 0.199 598 D C 2.070 178.252 176.300 -0.196 0.000 0.981 598 D CA 1.295 55.208 54.000 -0.145 0.000 0.834 598 D CB -0.020 40.703 40.800 -0.129 0.000 0.992 598 D HN 0.103 nan 8.370 nan 0.000 0.457 599 Q N -0.391 119.205 119.800 -0.340 0.000 2.187 599 Q HA 0.008 4.340 4.340 -0.014 0.000 0.199 599 Q C 2.248 178.109 176.000 -0.231 0.000 0.957 599 Q CA 0.751 56.337 55.803 -0.361 0.000 0.857 599 Q CB 0.371 28.679 28.738 -0.717 0.000 0.929 599 Q HN 0.331 nan 8.270 nan 0.000 0.453 600 V N 0.156 119.947 119.914 -0.206 0.000 2.922 600 V HA 0.006 4.118 4.120 -0.014 0.000 0.242 600 V C 1.194 177.221 176.094 -0.113 0.000 1.094 600 V CA 0.622 62.843 62.300 -0.132 0.000 1.106 600 V CB -0.406 31.340 31.823 -0.128 0.000 0.799 600 V HN 0.280 nan 8.190 nan 0.000 0.474 601 N N 1.303 119.939 118.700 -0.106 0.000 1.241 601 N HA -0.400 4.332 4.740 -0.014 0.000 0.135 601 N C 1.254 176.726 175.510 -0.062 0.000 0.723 601 N CA 2.676 55.679 53.050 -0.080 0.000 0.950 601 N CB -1.508 36.931 38.487 -0.080 0.000 1.215 601 N HN 0.413 nan 8.380 nan 0.000 0.520 602 A N -0.609 122.177 122.820 -0.056 0.000 2.121 602 A HA -0.058 4.254 4.320 -0.014 0.000 0.218 602 A C 1.200 178.760 177.584 -0.041 0.000 1.154 602 A CA 2.030 54.042 52.037 -0.042 0.000 0.679 602 A CB -0.346 18.630 19.000 -0.040 0.000 0.795 602 A HN 0.599 nan 8.150 nan 0.000 0.458 603 D N -0.839 119.526 120.400 -0.060 0.000 2.340 603 D HA 0.130 4.762 4.640 -0.014 0.000 0.217 603 D C -0.052 176.200 176.300 -0.081 0.000 1.081 603 D CA -0.151 53.810 54.000 -0.064 0.000 0.842 603 D CB 0.114 40.866 40.800 -0.079 0.000 0.934 603 D HN 0.323 nan 8.370 nan 0.000 0.511 604 L N 2.669 123.849 121.223 -0.071 0.000 2.433 604 L HA 0.220 4.552 4.340 -0.014 0.000 0.275 604 L C -2.297 174.564 176.870 -0.016 0.000 1.128 604 L CA -1.189 53.609 54.840 -0.069 0.000 0.875 604 L CB 0.319 42.348 42.059 -0.050 0.000 1.171 604 L HN -0.260 nan 8.230 nan 0.000 0.463 605 P HA -0.005 nan 4.420 nan 0.000 0.269 605 P C 0.071 177.439 177.300 0.114 0.000 1.209 605 P CA 0.025 63.166 63.100 0.068 0.000 0.776 605 P CB 0.309 32.054 31.700 0.075 0.000 0.876 606 Y N 2.291 122.604 120.300 0.021 0.000 2.139 606 Y HA -0.305 4.236 4.550 -0.014 0.000 0.282 606 Y C 1.918 177.842 175.900 0.040 0.000 1.179 606 Y CA 1.979 60.094 58.100 0.025 0.000 1.161 606 Y CB -0.150 38.323 38.460 0.022 0.000 0.970 606 Y HN 0.466 nan 8.280 nan 0.000 0.511 607 E N -0.652 119.699 120.200 0.252 0.000 2.204 607 E HA -0.180 4.162 4.350 -0.014 0.000 0.194 607 E C 1.988 178.649 176.600 0.101 0.000 0.989 607 E CA 0.987 57.498 56.400 0.185 0.000 0.824 607 E CB -0.047 29.790 29.700 0.229 0.000 0.756 607 E HN 0.451 nan 8.360 nan 0.000 0.477 608 I N 1.030 121.663 120.570 0.106 0.000 2.233 608 I HA -0.185 3.977 4.170 -0.014 0.000 0.243 608 I C 2.470 178.632 176.117 0.074 0.000 1.093 608 I CA 1.157 62.541 61.300 0.141 0.000 1.380 608 I CB -1.095 36.996 38.000 0.152 0.000 1.067 608 I HN 0.086 nan 8.210 nan 0.000 0.413 609 E N 1.650 121.845 120.200 -0.008 0.000 2.118 609 E HA -0.263 4.079 4.350 -0.014 0.000 0.195 609 E C 2.380 178.890 176.600 -0.149 0.000 0.992 609 E CA 1.552 57.904 56.400 -0.079 0.000 0.804 609 E CB -0.280 29.333 29.700 -0.146 0.000 0.741 609 E HN 0.309 nan 8.360 nan 0.000 0.458 610 R N -0.133 120.255 120.500 -0.187 0.000 2.075 610 R HA -0.110 4.222 4.340 -0.014 0.000 0.232 610 R C 1.976 178.171 176.300 -0.176 0.000 1.126 610 R CA 1.479 57.467 56.100 -0.186 0.000 0.963 610 R CB -0.043 30.176 30.300 -0.136 0.000 0.858 610 R HN 0.127 nan 8.270 nan 0.000 0.435 611 E N 0.732 120.819 120.200 -0.188 0.000 2.106 611 E HA -0.193 4.149 4.350 -0.014 0.000 0.192 611 E C 1.931 178.144 176.600 -0.644 0.000 0.984 611 E CA 0.737 56.918 56.400 -0.365 0.000 0.806 611 E CB -0.289 29.222 29.700 -0.316 0.000 0.750 611 E HN 0.240 nan 8.360 nan 0.000 0.458 612 L N 1.468 122.377 121.223 -0.524 0.000 1.989 612 L HA -0.180 4.151 4.340 -0.014 0.000 0.211 612 L C 2.322 179.071 176.870 -0.201 0.000 1.071 612 L CA 1.783 56.422 54.840 -0.334 0.000 0.749 612 L CB -0.320 41.742 42.059 0.006 0.000 0.890 612 L HN -0.058 nan 8.230 nan 0.000 0.431 613 R N -0.580 119.823 120.500 -0.162 0.000 2.096 613 R HA -0.195 4.137 4.340 -0.014 0.000 0.240 613 R C 2.253 178.471 176.300 -0.137 0.000 1.139 613 R CA 1.567 57.592 56.100 -0.124 0.000 0.952 613 R CB -0.810 29.417 30.300 -0.122 0.000 0.854 613 R HN 0.566 nan 8.270 nan 0.000 0.436 614 A N 1.071 123.783 122.820 -0.181 0.000 1.902 614 A HA -0.164 4.147 4.320 -0.014 0.000 0.217 614 A C 2.087 179.554 177.584 -0.194 0.000 1.181 614 A CA 1.183 53.112 52.037 -0.181 0.000 0.623 614 A CB -0.483 18.393 19.000 -0.206 0.000 0.818 614 A HN 0.255 nan 8.150 nan 0.000 0.443 615 L N -0.128 120.952 121.223 -0.238 0.000 2.027 615 L HA -0.112 4.220 4.340 -0.014 0.000 0.206 615 L C 2.185 178.999 176.870 -0.093 0.000 1.074 615 L CA 2.211 56.941 54.840 -0.182 0.000 0.745 615 L CB -0.598 41.368 42.059 -0.155 0.000 0.898 615 L HN 0.333 nan 8.230 nan 0.000 0.433 616 K N -0.846 119.514 120.400 -0.067 0.000 2.074 616 K HA -0.277 4.035 4.320 -0.014 0.000 0.209 616 K C 2.191 178.768 176.600 -0.039 0.000 1.048 616 K CA 1.885 58.157 56.287 -0.025 0.000 0.926 616 K CB -0.220 32.267 32.500 -0.022 0.000 0.713 616 K HN 0.346 nan 8.250 nan 0.000 0.444 617 Q N 1.130 120.891 119.800 -0.065 0.000 2.079 617 Q HA -0.101 4.231 4.340 -0.014 0.000 0.200 617 Q C 1.879 177.839 176.000 -0.066 0.000 0.974 617 Q CA 1.539 57.305 55.803 -0.061 0.000 0.840 617 Q CB 0.067 28.763 28.738 -0.070 0.000 0.898 617 Q HN 0.181 nan 8.270 nan 0.000 0.430 618 R N -0.347 120.096 120.500 -0.094 0.000 2.081 618 R HA -0.080 4.252 4.340 -0.014 0.000 0.235 618 R C 2.345 178.594 176.300 -0.085 0.000 1.131 618 R CA 1.589 57.625 56.100 -0.107 0.000 0.960 618 R CB -0.461 29.744 30.300 -0.159 0.000 0.856 618 R HN 0.353 nan 8.270 nan 0.000 0.436 619 I N 0.900 121.431 120.570 -0.066 0.000 2.226 619 I HA -0.284 3.878 4.170 -0.014 0.000 0.245 619 I C 2.595 178.710 176.117 -0.004 0.000 1.100 619 I CA 1.551 62.838 61.300 -0.021 0.000 1.374 619 I CB -0.474 37.552 38.000 0.042 0.000 1.057 619 I HN 0.220 nan 8.210 nan 0.000 0.413 620 S N 0.326 116.020 115.700 -0.009 0.000 2.440 620 S HA -0.199 4.262 4.470 -0.014 0.000 0.238 620 S C 1.820 176.413 174.600 -0.010 0.000 1.010 620 S CA 0.931 59.128 58.200 -0.005 0.000 0.972 620 S CB -0.265 62.928 63.200 -0.011 0.000 0.774 620 S HN 0.440 nan 8.310 nan 0.000 0.501 621 Q N 0.327 120.114 119.800 -0.022 0.000 2.403 621 Q HA 0.357 4.689 4.340 -0.014 0.000 0.203 621 Q C 0.655 176.643 176.000 -0.020 0.000 0.932 621 Q CA 0.123 55.912 55.803 -0.024 0.000 0.945 621 Q CB -0.180 28.537 28.738 -0.035 0.000 1.045 621 Q HN 0.678 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.591 119.600 -0.015 0.000 2.572 622 M HA 0.000 4.472 4.480 -0.014 0.000 0.227 622 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 622 M CB 0.000 32.602 32.600 0.003 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411