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 1tye_1_D DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcACQAQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.890 174.900 -0.017 0.000 0.946 1 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 2 P HA 0.446 nan 4.420 nan 0.000 0.281 2 P C -0.869 176.425 177.300 -0.010 0.000 1.252 2 P CA -0.384 62.709 63.100 -0.012 0.000 0.778 2 P CB 0.977 32.671 31.700 -0.009 0.000 0.895 3 N N 1.064 119.758 118.700 -0.011 0.000 2.469 3 N HA 0.270 5.010 4.740 -0.000 0.000 0.286 3 N C 0.464 175.974 175.510 0.000 0.000 1.275 3 N CA -0.917 52.129 53.050 -0.007 0.000 0.790 3 N CB 0.421 38.901 38.487 -0.012 0.000 1.446 3 N HN 0.132 nan 8.380 nan 0.000 0.501 4 I N 0.065 120.639 120.570 0.006 0.000 2.381 4 I HA -0.296 3.874 4.170 -0.000 0.000 0.255 4 I C 1.067 177.196 176.117 0.021 0.000 1.140 4 I CA 1.442 62.750 61.300 0.013 0.000 1.404 4 I CB -0.220 37.791 38.000 0.017 0.000 1.075 4 I HN 0.755 nan 8.210 nan 0.000 0.433 5 c N -1.128 117.484 118.600 0.019 0.000 2.518 5 c HA -0.075 4.495 4.570 -0.000 0.000 0.279 5 c C 2.662 176.766 174.090 0.024 0.000 1.279 5 c CA 1.153 57.500 56.329 0.031 0.000 1.703 5 c CB -1.457 41.066 42.510 0.022 0.000 2.072 5 c HN 0.463 nan 8.230 nan 0.000 0.487 6 T N 1.251 115.806 114.554 0.002 0.000 2.803 6 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 6 T C 1.628 176.330 174.700 0.003 0.000 1.052 6 T CA 2.065 64.161 62.100 -0.007 0.000 1.136 6 T CB -0.410 68.447 68.868 -0.019 0.000 0.864 6 T HN 0.619 nan 8.240 nan 0.000 0.467 7 T N 1.663 116.222 114.554 0.007 0.000 2.577 7 T HA -0.003 4.347 4.350 -0.000 0.000 0.241 7 T C 1.784 176.494 174.700 0.016 0.000 1.163 7 T CA 0.673 62.779 62.100 0.009 0.000 1.401 7 T CB -0.163 68.710 68.868 0.008 0.000 0.956 7 T HN 0.237 nan 8.240 nan 0.000 0.397 8 R N 1.237 121.749 120.500 0.020 0.000 2.320 8 R HA 0.230 4.570 4.340 -0.000 0.000 0.211 8 R C 1.089 177.409 176.300 0.034 0.000 0.931 8 R CA -0.353 55.761 56.100 0.023 0.000 1.071 8 R CB -0.247 30.064 30.300 0.018 0.000 1.025 8 R HN 0.359 nan 8.270 nan 0.000 0.495 9 G N 0.727 109.554 108.800 0.045 0.000 2.484 9 G HA2 0.228 4.188 3.960 -0.000 0.000 0.235 9 G HA3 0.228 4.188 3.960 -0.000 0.000 0.235 9 G C -0.273 174.672 174.900 0.075 0.000 1.282 9 G CA -0.226 44.917 45.100 0.071 0.000 0.857 9 G HN -0.009 nan 8.290 nan 0.000 0.571 10 V N 1.348 121.316 119.914 0.089 0.000 2.531 10 V HA 0.365 4.485 4.120 -0.000 0.000 0.301 10 V C 0.626 176.794 176.094 0.123 0.000 1.034 10 V CA -1.029 61.320 62.300 0.082 0.000 0.865 10 V CB 1.389 33.240 31.823 0.048 0.000 0.995 10 V HN 0.945 nan 8.190 nan 0.000 0.424 11 S N 4.006 119.796 115.700 0.149 0.000 2.593 11 S HA 0.340 4.810 4.470 -0.000 0.000 0.300 11 S C 0.087 174.736 174.600 0.081 0.000 1.267 11 S CA 0.992 59.328 58.200 0.228 0.000 1.065 11 S CB -0.274 63.051 63.200 0.208 0.000 0.807 11 S HN 2.241 nan 8.310 nan 0.000 0.499 12 S N 3.045 118.718 115.700 -0.044 0.000 2.963 12 S HA -0.077 4.393 4.470 -0.000 0.000 0.249 12 S C 0.258 174.197 174.600 -1.101 0.000 0.669 12 S CA -0.295 57.619 58.200 -0.476 0.000 0.892 12 S CB -0.869 62.189 63.200 -0.237 0.000 1.119 12 S HN 0.996 nan 8.310 nan 0.000 0.578 13 c N 2.536 120.252 118.600 -1.473 0.000 2.450 13 c HA 0.049 4.619 4.570 -0.000 0.000 0.279 13 c C 2.559 176.327 174.090 -0.536 0.000 1.335 13 c CA 1.817 57.269 56.329 -1.461 0.000 1.749 13 c CB -1.531 40.204 42.510 -1.291 0.000 1.963 13 c HN 0.974 nan 8.230 nan 0.000 0.501 14 Q N -0.193 119.380 119.800 -0.378 0.000 2.079 14 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 14 Q C 2.273 178.205 176.000 -0.113 0.000 0.974 14 Q CA 1.665 57.357 55.803 -0.185 0.000 0.840 14 Q CB -0.166 28.486 28.738 -0.143 0.000 0.898 14 Q HN 0.734 nan 8.270 nan 0.000 0.430 15 Q N -0.535 119.196 119.800 -0.115 0.000 2.167 15 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 15 Q C 2.406 178.413 176.000 0.011 0.000 0.970 15 Q CA 1.204 56.983 55.803 -0.040 0.000 0.855 15 Q CB -0.255 28.467 28.738 -0.026 0.000 0.911 15 Q HN 0.493 nan 8.270 nan 0.000 0.438 16 c N 0.578 119.198 118.600 0.034 0.000 2.425 16 c HA -0.095 4.475 4.570 -0.000 0.000 0.277 16 c C 2.321 176.487 174.090 0.126 0.000 1.280 16 c CA 0.645 57.069 56.329 0.157 0.000 1.744 16 c CB -0.878 41.865 42.510 0.388 0.000 1.989 16 c HN 0.477 nan 8.230 nan 0.000 0.491 17 L N 0.922 122.193 121.223 0.080 0.000 2.313 17 L HA 0.059 4.399 4.340 -0.000 0.000 0.214 17 L C 2.834 179.733 176.870 0.048 0.000 1.119 17 L CA 1.189 56.078 54.840 0.083 0.000 0.809 17 L CB -0.673 41.419 42.059 0.055 0.000 0.933 17 L HN 0.390 nan 8.230 nan 0.000 0.449 18 A N -0.417 122.417 122.820 0.023 0.000 2.206 18 A HA 0.021 4.341 4.320 -0.000 0.000 0.211 18 A C 2.220 179.813 177.584 0.015 0.000 1.158 18 A CA 0.537 52.577 52.037 0.005 0.000 0.761 18 A CB -0.325 18.669 19.000 -0.010 0.000 0.801 18 A HN 0.170 nan 8.150 nan 0.000 0.473 19 V N -0.885 119.051 119.914 0.037 0.000 2.255 19 V HA 0.011 4.131 4.120 -0.000 0.000 0.243 19 V C 1.223 177.338 176.094 0.035 0.000 1.038 19 V CA 1.849 64.171 62.300 0.038 0.000 1.008 19 V CB -0.296 31.559 31.823 0.054 0.000 0.645 19 V HN 0.577 nan 8.190 nan 0.000 0.449 20 S N -2.515 113.216 115.700 0.052 0.000 2.558 20 S HA 0.378 4.848 4.470 -0.000 0.000 0.277 20 S C -2.614 172.038 174.600 0.087 0.000 1.143 20 S CA -0.669 57.563 58.200 0.054 0.000 0.865 20 S CB 1.767 64.996 63.200 0.049 0.000 1.102 20 S HN 0.024 nan 8.310 nan 0.000 0.454 21 P HA -0.090 nan 4.420 nan 0.000 0.220 21 P C 1.340 178.781 177.300 0.234 0.000 1.144 21 P CA 1.342 64.509 63.100 0.112 0.000 0.800 21 P CB -0.152 31.589 31.700 0.068 0.000 0.772 22 M N -3.954 115.761 119.600 0.191 0.000 2.506 22 M HA 0.103 4.583 4.480 -0.000 0.000 0.260 22 M C 0.339 176.714 176.300 0.125 0.000 1.104 22 M CA 0.638 56.056 55.300 0.196 0.000 1.112 22 M CB -0.950 31.703 32.600 0.088 0.000 1.401 22 M HN -0.263 nan 8.290 nan 0.000 0.473 23 c N 3.150 121.841 118.600 0.151 0.000 2.637 23 c HA 0.724 5.294 4.570 -0.000 0.000 0.418 23 c C 0.893 175.085 174.090 0.170 0.000 1.319 23 c CA -0.790 55.601 56.329 0.104 0.000 1.949 23 c CB -0.285 42.296 42.510 0.119 0.000 2.639 23 c HN 0.570 nan 8.230 nan 0.000 0.594 24 A N 4.012 126.857 122.820 0.042 0.000 2.401 24 A HA 0.790 5.110 4.320 -0.000 0.000 0.310 24 A C -1.062 176.624 177.584 0.171 0.000 1.075 24 A CA -0.417 51.684 52.037 0.107 0.000 0.746 24 A CB 1.128 19.986 19.000 -0.237 0.000 1.277 24 A HN 0.967 nan 8.150 nan 0.000 0.425 25 W N 1.572 122.904 121.300 0.053 0.000 2.627 25 W HA 0.544 5.204 4.660 -0.000 0.000 0.339 25 W C -1.299 175.235 176.519 0.025 0.000 1.058 25 W CA -0.709 56.655 57.345 0.031 0.000 1.223 25 W CB 1.911 31.396 29.460 0.042 0.000 1.389 25 W HN 0.745 nan 8.180 nan 0.000 0.541 26 c N 4.784 123.110 118.600 -0.456 0.000 3.328 26 c HA 0.277 4.847 4.570 -0.000 0.000 0.230 26 c C 0.223 174.149 174.090 -0.274 0.000 1.232 26 c CA -0.282 55.918 56.329 -0.216 0.000 1.431 26 c CB -0.808 41.594 42.510 -0.181 0.000 1.818 26 c HN 0.518 nan 8.230 nan 0.000 0.484 27 S N 3.078 118.819 115.700 0.068 0.000 3.065 27 S HA 0.211 4.681 4.470 -0.000 0.000 0.311 27 S C 0.225 174.891 174.600 0.110 0.000 1.204 27 S CA 0.324 58.660 58.200 0.227 0.000 1.040 27 S CB -0.398 63.162 63.200 0.601 0.000 1.436 27 S HN 0.894 nan 8.310 nan 0.000 0.532 28 D N 2.185 122.596 120.400 0.019 0.000 2.489 28 D HA 0.415 5.055 4.640 -0.000 0.000 0.232 28 D C 1.189 177.497 176.300 0.013 0.000 1.230 28 D CA -0.082 53.928 54.000 0.016 0.000 1.101 28 D CB 0.734 41.526 40.800 -0.013 0.000 1.198 28 D HN 0.567 nan 8.370 nan 0.000 0.611 29 E N -1.589 118.611 120.200 -0.000 0.000 2.521 29 E HA 0.214 4.564 4.350 -0.000 0.000 0.199 29 E C 1.381 177.975 176.600 -0.009 0.000 1.006 29 E CA 0.274 56.674 56.400 0.001 0.000 1.630 29 E CB -0.384 29.322 29.700 0.011 0.000 2.725 29 E HN 0.188 nan 8.360 nan 0.000 1.103 30 A N 1.407 124.220 122.820 -0.011 0.000 2.070 30 A HA 0.062 4.382 4.320 -0.000 0.000 0.220 30 A C 1.226 178.796 177.584 -0.024 0.000 1.159 30 A CA 0.460 52.489 52.037 -0.015 0.000 0.656 30 A CB -0.369 18.623 19.000 -0.013 0.000 0.800 30 A HN 0.246 nan 8.150 nan 0.000 0.453 31 L N 0.819 122.022 121.223 -0.035 0.000 2.416 31 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 31 L C -2.023 174.821 176.870 -0.044 0.000 1.161 31 L CA -1.671 53.139 54.840 -0.049 0.000 0.845 31 L CB 0.230 42.244 42.059 -0.075 0.000 1.119 31 L HN 0.040 nan 8.230 nan 0.000 0.464 32 P HA 0.029 nan 4.420 nan 0.000 0.273 32 P C 0.620 177.896 177.300 -0.040 0.000 1.258 32 P CA -0.118 62.961 63.100 -0.035 0.000 0.802 32 P CB 0.429 32.108 31.700 -0.035 0.000 1.040 33 L N -0.881 120.324 121.223 -0.030 0.000 2.416 33 L HA 0.127 4.467 4.340 -0.000 0.000 0.216 33 L C 2.188 179.039 176.870 -0.033 0.000 1.098 33 L CA 1.201 56.025 54.840 -0.028 0.000 0.840 33 L CB -0.876 41.174 42.059 -0.016 0.000 0.981 33 L HN 0.500 nan 8.230 nan 0.000 0.462 34 G N -0.937 107.843 108.800 -0.033 0.000 2.683 34 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.213 34 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.213 34 G C 0.771 175.644 174.900 -0.046 0.000 1.142 34 G CA -0.013 45.067 45.100 -0.033 0.000 0.793 34 G HN 0.184 nan 8.290 nan 0.000 0.534 35 S N 1.315 116.981 115.700 -0.057 0.000 2.549 35 S HA 0.442 4.912 4.470 -0.000 0.000 0.279 35 S C -2.322 172.217 174.600 -0.102 0.000 1.321 35 S CA -1.123 57.032 58.200 -0.074 0.000 1.054 35 S CB 0.935 64.088 63.200 -0.078 0.000 0.899 35 S HN -0.017 nan 8.310 nan 0.000 0.497 36 P HA 0.300 nan 4.420 nan 0.000 0.271 36 P C 0.086 177.250 177.300 -0.227 0.000 1.216 36 P CA -0.182 62.836 63.100 -0.137 0.000 0.771 36 P CB 0.463 32.100 31.700 -0.104 0.000 0.864 37 R N 1.051 121.347 120.500 -0.340 0.000 2.290 37 R HA 0.161 4.501 4.340 -0.000 0.000 0.197 37 R C -0.019 175.834 176.300 -0.744 0.000 0.913 37 R CA 0.244 55.950 56.100 -0.657 0.000 1.040 37 R CB 0.212 29.943 30.300 -0.949 0.000 0.992 37 R HN 0.451 nan 8.270 nan 0.000 0.500 38 c N 1.481 119.870 118.600 -0.352 0.000 2.362 38 c HA 0.455 5.025 4.570 -0.000 0.000 0.309 38 c C -1.118 172.939 174.090 -0.055 0.000 1.110 38 c CA -0.636 55.642 56.329 -0.085 0.000 1.485 38 c CB -0.325 42.281 42.510 0.161 0.000 1.949 38 c HN 0.297 nan 8.230 nan 0.000 0.419 39 D N 2.293 122.647 120.400 -0.077 0.000 2.752 39 D HA 0.482 5.122 4.640 -0.000 0.000 0.313 39 D C -0.627 175.610 176.300 -0.106 0.000 1.225 39 D CA -0.376 53.577 54.000 -0.078 0.000 0.976 39 D CB 1.403 42.144 40.800 -0.099 0.000 1.443 39 D HN 0.518 nan 8.370 nan 0.000 0.515 40 L N 1.558 122.709 121.223 -0.120 0.000 2.473 40 L HA 0.187 4.527 4.340 -0.000 0.000 0.268 40 L C 2.002 178.722 176.870 -0.251 0.000 1.215 40 L CA -0.059 54.669 54.840 -0.187 0.000 0.823 40 L CB 0.432 42.411 42.059 -0.133 0.000 1.099 40 L HN 0.501 nan 8.230 nan 0.000 0.483 41 K N 1.180 121.330 120.400 -0.417 0.000 2.057 41 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 41 K C 1.885 178.370 176.600 -0.192 0.000 1.049 41 K CA 1.675 57.742 56.287 -0.367 0.000 0.931 41 K CB 0.081 32.264 32.500 -0.529 0.000 0.714 41 K HN 0.763 nan 8.250 nan 0.000 0.440 42 E N 0.441 120.546 120.200 -0.158 0.000 2.153 42 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 42 E C 1.312 177.863 176.600 -0.083 0.000 0.988 42 E CA 1.175 57.519 56.400 -0.094 0.000 0.811 42 E CB -0.409 29.248 29.700 -0.071 0.000 0.746 42 E HN 0.301 nan 8.360 nan 0.000 0.466 43 N N 1.332 119.975 118.700 -0.095 0.000 2.135 43 N HA -0.020 4.720 4.740 -0.000 0.000 0.186 43 N C 2.250 177.709 175.510 -0.085 0.000 1.027 43 N CA 0.981 53.982 53.050 -0.081 0.000 0.849 43 N CB -0.443 37.995 38.487 -0.082 0.000 1.002 43 N HN 0.209 nan 8.380 nan 0.000 0.425 44 L N 0.667 121.827 121.223 -0.104 0.000 2.127 44 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 44 L C 2.173 178.996 176.870 -0.078 0.000 1.089 44 L CA 0.749 55.527 54.840 -0.103 0.000 0.757 44 L CB -0.410 41.578 42.059 -0.119 0.000 0.899 44 L HN 0.150 nan 8.230 nan 0.000 0.434 45 L N -0.609 120.572 121.223 -0.069 0.000 2.023 45 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 45 L C 2.808 179.653 176.870 -0.042 0.000 1.073 45 L CA 0.962 55.772 54.840 -0.049 0.000 0.745 45 L CB -0.511 41.523 42.059 -0.042 0.000 0.900 45 L HN 0.186 nan 8.230 nan 0.000 0.435 46 K N 0.766 121.139 120.400 -0.045 0.000 2.074 46 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 46 K C 1.275 177.852 176.600 -0.038 0.000 1.048 46 K CA 1.911 58.175 56.287 -0.038 0.000 0.926 46 K CB -0.364 32.113 32.500 -0.039 0.000 0.713 46 K HN 0.311 nan 8.250 nan 0.000 0.444 47 D N 0.144 120.515 120.400 -0.047 0.000 2.378 47 D HA -0.040 4.600 4.640 -0.000 0.000 0.227 47 D C -0.300 175.975 176.300 -0.043 0.000 1.012 47 D CA 0.262 54.234 54.000 -0.047 0.000 0.905 47 D CB -0.221 40.543 40.800 -0.059 0.000 0.895 47 D HN 0.300 nan 8.370 nan 0.000 0.532 48 N N -1.548 117.128 118.700 -0.039 0.000 2.756 48 N HA -0.225 4.515 4.740 -0.000 0.000 0.248 48 N C 0.608 176.097 175.510 -0.034 0.000 1.062 48 N CA 0.164 53.195 53.050 -0.032 0.000 0.696 48 N CB -1.341 37.131 38.487 -0.025 0.000 0.946 48 N HN 0.250 nan 8.380 nan 0.000 0.548 49 c N 0.229 118.803 118.600 -0.043 0.000 4.604 49 c HA 0.373 4.943 4.570 -0.000 0.000 0.295 49 c C 1.103 175.176 174.090 -0.027 0.000 1.214 49 c CA 1.477 57.778 56.329 -0.046 0.000 1.858 49 c CB -0.840 41.632 42.510 -0.063 0.000 2.000 49 c HN 0.804 nan 8.230 nan 0.000 0.404 50 A N -1.376 121.433 122.820 -0.018 0.000 2.246 50 A HA 0.422 4.742 4.320 -0.000 0.000 0.302 50 A C -1.912 175.676 177.584 0.007 0.000 0.999 50 A CA -0.373 51.662 52.037 -0.004 0.000 0.998 50 A CB -0.358 18.643 19.000 0.001 0.000 1.183 50 A HN 0.281 nan 8.150 nan 0.000 0.351 51 P HA -0.250 nan 4.420 nan 0.000 0.216 51 P C 1.396 178.716 177.300 0.034 0.000 1.154 51 P CA 1.980 65.093 63.100 0.021 0.000 0.865 51 P CB 0.259 31.970 31.700 0.018 0.000 0.789 52 E N -0.206 120.012 120.200 0.030 0.000 2.516 52 E HA -0.063 4.287 4.350 -0.000 0.000 0.199 52 E C 0.911 177.539 176.600 0.046 0.000 1.069 52 E CA 1.239 57.661 56.400 0.036 0.000 0.876 52 E CB -0.610 29.107 29.700 0.028 0.000 0.843 52 E HN 0.343 nan 8.360 nan 0.000 0.530 53 S N -0.003 115.726 115.700 0.048 0.000 2.603 53 S HA 0.283 4.753 4.470 -0.000 0.000 0.232 53 S C 0.713 175.366 174.600 0.088 0.000 1.016 53 S CA -0.637 57.602 58.200 0.065 0.000 0.976 53 S CB -0.229 63.000 63.200 0.048 0.000 0.921 53 S HN 0.121 nan 8.310 nan 0.000 0.516 54 I N 3.165 123.783 120.570 0.080 0.000 2.396 54 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 54 I C -0.192 176.023 176.117 0.163 0.000 1.056 54 I CA -0.166 61.195 61.300 0.102 0.000 1.365 54 I CB 0.743 38.785 38.000 0.069 0.000 1.407 54 I HN 0.122 nan 8.210 nan 0.000 0.509 55 E N 7.030 127.365 120.200 0.224 0.000 1.993 55 E HA 0.197 4.547 4.350 -0.000 0.000 0.271 55 E C -1.095 175.697 176.600 0.320 0.000 1.008 55 E CA -0.237 56.305 56.400 0.237 0.000 0.814 55 E CB 1.037 30.885 29.700 0.247 0.000 1.098 55 E HN 0.299 nan 8.360 nan 0.000 0.407 56 F N 4.621 124.616 119.950 0.075 0.000 2.691 56 F HA 0.366 4.893 4.527 -0.000 0.000 0.371 56 F C -2.468 173.360 175.800 0.047 0.000 1.159 56 F CA -2.843 55.195 58.000 0.062 0.000 1.174 56 F CB 1.024 40.055 39.000 0.052 0.000 1.419 56 F HN 0.073 nan 8.300 nan 0.000 0.514 57 P HA 0.335 nan 4.420 nan 0.000 0.276 57 P C -1.092 175.919 177.300 -0.481 0.000 1.235 57 P CA -0.221 62.732 63.100 -0.246 0.000 0.772 57 P CB 1.189 32.827 31.700 -0.103 0.000 0.871 58 V N 0.196 119.892 119.914 -0.363 0.000 2.495 58 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 58 V C -0.015 175.989 176.094 -0.151 0.000 1.031 58 V CA -0.683 61.420 62.300 -0.329 0.000 0.871 58 V CB 1.802 33.457 31.823 -0.280 0.000 0.988 58 V HN 0.397 nan 8.190 nan 0.000 0.432 59 S N 3.465 119.103 115.700 -0.103 0.000 2.549 59 S HA 0.241 4.711 4.470 -0.000 0.000 0.283 59 S C 0.800 175.387 174.600 -0.021 0.000 1.320 59 S CA 0.235 58.414 58.200 -0.035 0.000 1.058 59 S CB 0.803 64.000 63.200 -0.006 0.000 0.882 59 S HN 1.025 nan 8.310 nan 0.000 0.498 60 E N 2.221 122.417 120.200 -0.006 0.000 2.870 60 E HA 0.518 4.868 4.350 -0.000 0.000 0.185 60 E C 0.007 176.613 176.600 0.010 0.000 1.084 60 E CA -0.003 56.395 56.400 -0.003 0.000 1.246 60 E CB -0.260 29.430 29.700 -0.017 0.000 1.382 60 E HN 0.767 nan 8.360 nan 0.000 0.492 61 A N 1.533 124.348 122.820 -0.008 0.000 1.799 61 A HA -0.158 4.162 4.320 -0.000 0.000 0.229 61 A C -0.244 177.315 177.584 -0.042 0.000 1.331 61 A CA 0.905 52.920 52.037 -0.036 0.000 0.677 61 A CB -1.560 17.441 19.000 0.002 0.000 1.174 61 A HN 0.367 nan 8.150 nan 0.000 0.240 62 R N 1.549 122.013 120.500 -0.061 0.000 2.368 62 R HA 0.563 4.903 4.340 -0.000 0.000 0.302 62 R C 0.022 176.280 176.300 -0.069 0.000 1.002 62 R CA -0.467 55.603 56.100 -0.050 0.000 0.929 62 R CB 1.093 31.366 30.300 -0.044 0.000 1.073 62 R HN 0.690 nan 8.270 nan 0.000 0.464 63 V N 7.206 127.093 119.914 -0.046 0.000 2.370 63 V HA 0.001 4.121 4.120 -0.000 0.000 0.257 63 V C 0.920 176.986 176.094 -0.046 0.000 1.064 63 V CA -0.012 62.259 62.300 -0.048 0.000 0.975 63 V CB 0.361 32.173 31.823 -0.018 0.000 1.067 63 V HN 0.762 nan 8.190 nan 0.000 0.485 64 L N 4.195 125.381 121.223 -0.063 0.000 1.913 64 L HA 0.086 4.426 4.340 -0.000 0.000 0.215 64 L C 1.365 178.211 176.870 -0.040 0.000 1.117 64 L CA 1.203 56.011 54.840 -0.054 0.000 0.798 64 L CB -0.400 41.619 42.059 -0.068 0.000 0.893 64 L HN 0.816 nan 8.230 nan 0.000 0.440 65 E N 0.833 121.008 120.200 -0.043 0.000 2.156 65 E HA 0.357 4.707 4.350 -0.000 0.000 0.279 65 E C -1.242 175.344 176.600 -0.024 0.000 0.965 65 E CA -0.504 55.879 56.400 -0.030 0.000 0.789 65 E CB 0.995 30.677 29.700 -0.030 0.000 1.098 65 E HN 0.384 nan 8.360 nan 0.000 0.397 66 D N 4.061 124.453 120.400 -0.013 0.000 2.381 66 D HA 0.109 4.749 4.640 -0.000 0.000 0.245 66 D C -0.532 175.770 176.300 0.003 0.000 1.297 66 D CA -0.730 53.268 54.000 -0.004 0.000 0.931 66 D CB 0.651 41.451 40.800 0.000 0.000 1.334 66 D HN 0.214 nan 8.370 nan 0.000 0.535 67 R N 2.141 122.644 120.500 0.005 0.000 2.543 67 R HA 0.367 4.707 4.340 -0.000 0.000 0.277 67 R C -2.159 174.150 176.300 0.014 0.000 1.074 67 R CA -1.165 54.940 56.100 0.008 0.000 1.076 67 R CB 0.121 30.427 30.300 0.009 0.000 0.993 67 R HN 0.304 nan 8.270 nan 0.000 0.459 68 P HA 0.091 nan 4.420 nan 0.000 0.272 68 P C -0.295 177.018 177.300 0.022 0.000 1.254 68 P CA -0.278 62.833 63.100 0.017 0.000 0.795 68 P CB 0.464 32.172 31.700 0.013 0.000 1.022 69 L N 0.451 121.688 121.223 0.024 0.000 2.290 69 L HA 0.213 4.553 4.340 -0.000 0.000 0.284 69 L C 0.690 177.574 176.870 0.024 0.000 1.078 69 L CA -0.380 54.477 54.840 0.029 0.000 0.815 69 L CB 0.554 42.632 42.059 0.032 0.000 1.162 69 L HN 0.381 nan 8.230 nan 0.000 0.435 70 S N 1.736 117.451 115.700 0.025 0.000 2.587 70 S HA 0.075 4.545 4.470 -0.000 0.000 0.260 70 S C -0.383 174.225 174.600 0.014 0.000 1.353 70 S CA -0.331 57.879 58.200 0.017 0.000 0.995 70 S CB 0.435 63.644 63.200 0.016 0.000 0.912 70 S HN 0.605 nan 8.310 nan 0.000 0.568 71 D N 0.055 120.460 120.400 0.008 0.000 2.656 71 D HA 0.317 4.957 4.640 -0.000 0.000 0.303 71 D C 0.465 176.765 176.300 0.000 0.000 1.199 71 D CA -0.492 53.511 54.000 0.005 0.000 0.797 71 D CB 0.367 41.170 40.800 0.006 0.000 1.170 71 D HN 0.589 nan 8.370 nan 0.000 0.509 72 K N -1.441 118.956 120.400 -0.004 0.000 3.040 72 K HA 0.239 4.559 4.320 -0.000 0.000 0.238 72 K C 1.320 177.908 176.600 -0.020 0.000 2.517 72 K CA 0.030 56.311 56.287 -0.010 0.000 1.524 72 K CB 0.059 32.553 32.500 -0.009 0.000 2.779 72 K HN 0.198 nan 8.250 nan 0.000 0.490 73 G N 0.952 109.738 108.800 -0.022 0.000 2.241 73 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 73 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 73 G C 0.145 175.026 174.900 -0.032 0.000 0.998 73 G CA 0.472 45.551 45.100 -0.035 0.000 0.621 73 G HN 0.517 nan 8.290 nan 0.000 0.519 74 S N -1.339 114.346 115.700 -0.025 0.000 2.810 74 S HA 0.847 5.317 4.470 -0.000 0.000 0.315 74 S C 1.259 175.849 174.600 -0.017 0.000 1.138 74 S CA 0.775 58.961 58.200 -0.024 0.000 0.889 74 S CB 1.563 64.747 63.200 -0.027 0.000 1.236 74 S HN 2.097 nan 8.310 nan 0.000 0.548 75 G N 1.425 110.215 108.800 -0.017 0.000 4.269 75 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.290 75 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.290 75 G C -0.825 174.069 174.900 -0.011 0.000 1.570 75 G CA 0.317 45.409 45.100 -0.013 0.000 1.072 75 G HN 0.645 nan 8.290 nan 0.000 0.681 76 D N 1.939 122.334 120.400 -0.009 0.000 2.930 76 D HA 0.488 5.128 4.640 -0.000 0.000 0.304 76 D C 1.504 177.800 176.300 -0.007 0.000 1.298 76 D CA 0.628 54.624 54.000 -0.007 0.000 0.949 76 D CB 0.551 41.348 40.800 -0.004 0.000 1.013 76 D HN 0.548 nan 8.370 nan 0.000 0.510 77 S N -1.495 114.200 115.700 -0.009 0.000 2.603 77 S HA -0.056 4.414 4.470 -0.000 0.000 0.229 77 S C 1.635 176.231 174.600 -0.008 0.000 0.972 77 S CA 0.039 58.233 58.200 -0.011 0.000 0.935 77 S CB 0.117 63.306 63.200 -0.017 0.000 0.769 77 S HN 0.027 nan 8.310 nan 0.000 0.536 78 S N 1.543 117.240 115.700 -0.005 0.000 2.428 78 S HA 0.059 4.529 4.470 -0.000 0.000 0.230 78 S C 0.757 175.357 174.600 0.000 0.000 1.014 78 S CA 0.602 58.800 58.200 -0.003 0.000 0.957 78 S CB -0.132 63.066 63.200 -0.002 0.000 0.784 78 S HN 0.743 nan 8.310 nan 0.000 0.499 79 Q N 0.472 120.274 119.800 0.002 0.000 3.449 79 Q HA 0.346 4.686 4.340 -0.000 0.000 0.272 79 Q C -1.404 174.602 176.000 0.010 0.000 0.787 79 Q CA -0.123 55.684 55.803 0.006 0.000 0.904 79 Q CB 1.284 30.026 28.738 0.005 0.000 1.536 79 Q HN 0.104 nan 8.270 nan 0.000 0.387 80 V N 1.206 121.128 119.914 0.012 0.000 2.997 80 V HA 0.558 4.678 4.120 -0.000 0.000 0.311 80 V C 0.098 176.211 176.094 0.032 0.000 1.066 80 V CA -0.001 62.310 62.300 0.017 0.000 1.039 80 V CB 1.979 33.809 31.823 0.012 0.000 1.081 80 V HN 0.616 nan 8.190 nan 0.000 0.467 81 T N 1.918 116.493 114.554 0.035 0.000 2.792 81 T HA 0.518 4.868 4.350 -0.000 0.000 0.280 81 T C -0.284 174.453 174.700 0.062 0.000 0.990 81 T CA -0.630 61.499 62.100 0.048 0.000 0.960 81 T CB 1.366 70.254 68.868 0.034 0.000 0.939 81 T HN 0.780 nan 8.240 nan 0.000 0.439 82 Q N 1.173 121.029 119.800 0.093 0.000 2.084 82 Q HA 0.473 4.813 4.340 -0.000 0.000 0.230 82 Q C -0.861 175.194 176.000 0.092 0.000 0.806 82 Q CA -0.592 55.280 55.803 0.115 0.000 1.083 82 Q CB 0.694 29.549 28.738 0.196 0.000 1.208 82 Q HN 0.463 nan 8.270 nan 0.000 0.462 83 V N 0.833 120.785 119.914 0.064 0.000 2.569 83 V HA 0.277 4.397 4.120 -0.000 0.000 0.301 83 V C 0.096 176.214 176.094 0.040 0.000 1.044 83 V CA -0.576 61.747 62.300 0.039 0.000 0.874 83 V CB 1.859 33.697 31.823 0.024 0.000 1.002 83 V HN 0.309 nan 8.190 nan 0.000 0.424 84 S N 5.369 121.097 115.700 0.048 0.000 2.700 84 S HA 0.168 4.638 4.470 -0.000 0.000 0.250 84 S C -2.216 172.408 174.600 0.039 0.000 1.355 84 S CA -0.360 57.868 58.200 0.047 0.000 0.970 84 S CB 0.097 63.335 63.200 0.064 0.000 0.975 84 S HN 0.616 nan 8.310 nan 0.000 0.563 85 P HA 0.021 nan 4.420 nan 0.000 0.253 85 P C -0.253 177.040 177.300 -0.011 0.000 1.170 85 P CA 0.712 63.816 63.100 0.007 0.000 0.806 85 P CB 0.086 31.790 31.700 0.007 0.000 0.775 86 Q N 2.209 121.997 119.800 -0.019 0.000 2.167 86 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 86 Q C 1.012 176.974 176.000 -0.063 0.000 0.970 86 Q CA 1.411 57.197 55.803 -0.028 0.000 0.855 86 Q CB 0.138 28.865 28.738 -0.019 0.000 0.911 86 Q HN 0.362 nan 8.270 nan 0.000 0.438 87 R N 0.369 120.819 120.500 -0.082 0.000 2.548 87 R HA 0.490 4.830 4.340 -0.000 0.000 0.280 87 R C -1.699 174.512 176.300 -0.148 0.000 1.061 87 R CA -0.433 55.593 56.100 -0.124 0.000 0.915 87 R CB 1.079 31.318 30.300 -0.101 0.000 1.210 87 R HN 0.186 nan 8.270 nan 0.000 0.442 88 I N 0.285 120.722 120.570 -0.221 0.000 2.769 88 I HA 0.717 4.887 4.170 -0.000 0.000 0.298 88 I C -0.877 175.089 176.117 -0.251 0.000 1.128 88 I CA -1.227 59.931 61.300 -0.236 0.000 1.031 88 I CB 2.459 40.269 38.000 -0.317 0.000 1.235 88 I HN 0.641 nan 8.210 nan 0.000 0.423 89 A N 5.370 128.078 122.820 -0.187 0.000 2.260 89 A HA 0.644 4.964 4.320 -0.000 0.000 0.312 89 A C -0.827 176.669 177.584 -0.147 0.000 1.321 89 A CA -0.401 51.542 52.037 -0.157 0.000 0.928 89 A CB 0.641 19.576 19.000 -0.109 0.000 1.158 89 A HN 0.678 nan 8.150 nan 0.000 0.542 90 L N 4.058 125.191 121.223 -0.149 0.000 2.272 90 L HA 0.415 4.755 4.340 -0.000 0.000 0.284 90 L C 0.121 176.988 176.870 -0.005 0.000 1.045 90 L CA 0.138 54.929 54.840 -0.081 0.000 0.842 90 L CB 0.335 42.350 42.059 -0.074 0.000 1.224 90 L HN 0.676 nan 8.230 nan 0.000 0.430 91 R N 5.585 126.089 120.500 0.007 0.000 2.338 91 R HA 0.763 5.103 4.340 -0.000 0.000 0.317 91 R C -1.523 174.819 176.300 0.069 0.000 0.968 91 R CA -0.842 55.282 56.100 0.039 0.000 0.849 91 R CB 1.402 31.705 30.300 0.005 0.000 1.128 91 R HN 0.497 nan 8.270 nan 0.000 0.448 92 L N 0.083 121.385 121.223 0.131 0.000 2.513 92 L HA 0.550 4.890 4.340 -0.000 0.000 0.261 92 L C -0.167 176.749 176.870 0.076 0.000 0.945 92 L CA -1.284 53.611 54.840 0.091 0.000 0.848 92 L CB 1.110 43.226 42.059 0.094 0.000 1.334 92 L HN 0.549 nan 8.230 nan 0.000 0.407 93 R N 0.738 121.245 120.500 0.011 0.000 2.649 93 R HA 0.607 4.947 4.340 -0.000 0.000 0.270 93 R C -2.325 173.947 176.300 -0.046 0.000 1.105 93 R CA -1.492 54.602 56.100 -0.012 0.000 1.193 93 R CB -0.208 30.075 30.300 -0.028 0.000 1.120 93 R HN 0.516 nan 8.270 nan 0.000 0.561 94 P HA -0.182 nan 4.420 nan 0.000 0.261 94 P C -0.506 176.755 177.300 -0.065 0.000 1.173 94 P CA 0.654 63.699 63.100 -0.093 0.000 0.760 94 P CB 0.266 31.925 31.700 -0.067 0.000 0.783 95 D N -1.202 119.146 120.400 -0.087 0.000 3.006 95 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 95 D C 0.428 176.707 176.300 -0.035 0.000 1.116 95 D CA 1.544 55.510 54.000 -0.057 0.000 0.998 95 D CB -0.761 40.018 40.800 -0.035 0.000 1.124 95 D HN 0.477 nan 8.370 nan 0.000 0.413 96 D N -0.042 120.339 120.400 -0.031 0.000 2.414 96 D HA 0.481 5.121 4.640 -0.000 0.000 0.259 96 D C 0.235 176.533 176.300 -0.004 0.000 1.269 96 D CA 0.368 54.362 54.000 -0.009 0.000 1.028 96 D CB 0.974 41.771 40.800 -0.005 0.000 1.093 96 D HN 0.168 nan 8.370 nan 0.000 0.545 97 S N -0.590 115.117 115.700 0.011 0.000 2.596 97 S HA 0.724 5.194 4.470 -0.000 0.000 0.270 97 S C -1.094 173.530 174.600 0.040 0.000 1.155 97 S CA -0.936 57.278 58.200 0.024 0.000 0.827 97 S CB 2.515 65.718 63.200 0.004 0.000 1.130 97 S HN 0.379 nan 8.310 nan 0.000 0.467 98 K N 0.774 121.216 120.400 0.070 0.000 2.536 98 K HA 0.595 4.915 4.320 -0.000 0.000 0.269 98 K C -1.753 174.914 176.600 0.111 0.000 0.965 98 K CA -0.489 55.855 56.287 0.096 0.000 0.860 98 K CB 1.581 34.158 32.500 0.129 0.000 1.423 98 K HN 0.936 nan 8.250 nan 0.000 0.438 99 N N 1.382 120.139 118.700 0.096 0.000 2.328 99 N HA 0.662 5.402 4.740 -0.000 0.000 0.299 99 N C -1.128 174.471 175.510 0.149 0.000 1.179 99 N CA -0.475 52.567 53.050 -0.013 0.000 0.793 99 N CB 1.311 39.752 38.487 -0.076 0.000 1.366 99 N HN 0.427 nan 8.380 nan 0.000 0.493 100 F N -2.163 117.782 119.950 -0.009 0.000 2.665 100 F HA 0.592 5.119 4.527 -0.000 0.000 0.308 100 F C -0.560 175.250 175.800 0.018 0.000 1.112 100 F CA -1.122 56.879 58.000 0.002 0.000 0.972 100 F CB 0.939 39.938 39.000 -0.002 0.000 1.295 100 F HN 0.563 nan 8.300 nan 0.000 0.440 101 S N 2.813 118.611 115.700 0.164 0.000 2.690 101 S HA 0.868 5.338 4.470 -0.000 0.000 0.291 101 S C -0.984 173.733 174.600 0.195 0.000 1.138 101 S CA -0.667 57.600 58.200 0.112 0.000 1.013 101 S CB 1.981 65.226 63.200 0.075 0.000 1.053 101 S HN 1.012 nan 8.310 nan 0.000 0.539 102 I N 0.714 121.399 120.570 0.192 0.000 2.644 102 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 102 I C -1.382 174.856 176.117 0.201 0.000 1.180 102 I CA -0.457 60.964 61.300 0.203 0.000 1.040 102 I CB 2.099 40.237 38.000 0.230 0.000 1.255 102 I HN 0.774 nan 8.210 nan 0.000 0.422 103 Q N 5.581 125.461 119.800 0.134 0.000 2.312 103 Q HA 0.682 5.022 4.340 -0.000 0.000 0.263 103 Q C -1.529 174.525 176.000 0.090 0.000 0.995 103 Q CA -0.819 55.045 55.803 0.102 0.000 0.853 103 Q CB 3.132 31.904 28.738 0.057 0.000 1.300 103 Q HN 0.422 nan 8.270 nan 0.000 0.448 104 V N 2.393 122.358 119.914 0.084 0.000 2.709 104 V HA 0.629 4.749 4.120 -0.000 0.000 0.308 104 V C -0.782 175.337 176.094 0.042 0.000 1.062 104 V CA -0.970 61.349 62.300 0.033 0.000 0.901 104 V CB 1.960 33.770 31.823 -0.022 0.000 1.003 104 V HN 0.815 nan 8.190 nan 0.000 0.425 105 R N 2.145 122.687 120.500 0.070 0.000 2.651 105 R HA 0.726 5.066 4.340 -0.000 0.000 0.278 105 R C -1.026 175.382 176.300 0.180 0.000 1.010 105 R CA -0.925 55.234 56.100 0.098 0.000 0.896 105 R CB 1.824 32.164 30.300 0.066 0.000 1.211 105 R HN 0.504 nan 8.270 nan 0.000 0.456 106 Q N 2.259 122.161 119.800 0.171 0.000 2.324 106 Q HA 0.164 4.504 4.340 -0.000 0.000 0.257 106 Q C -0.522 175.495 176.000 0.028 0.000 1.080 106 Q CA 0.062 55.957 55.803 0.153 0.000 0.907 106 Q CB 1.551 30.354 28.738 0.108 0.000 1.274 106 Q HN 0.675 nan 8.270 nan 0.000 0.434 107 V N 3.388 123.313 119.914 0.019 0.000 3.013 107 V HA 0.191 4.311 4.120 -0.000 0.000 0.238 107 V C 0.304 176.351 176.094 -0.078 0.000 1.161 107 V CA 0.524 62.812 62.300 -0.021 0.000 1.170 107 V CB 0.233 32.066 31.823 0.018 0.000 0.917 107 V HN 0.843 nan 8.190 nan 0.000 0.478 108 E N 1.152 121.292 120.200 -0.099 0.000 2.435 108 E HA 0.052 4.402 4.350 -0.000 0.000 0.256 108 E C -0.705 175.779 176.600 -0.193 0.000 1.245 108 E CA 0.073 56.399 56.400 -0.123 0.000 0.989 108 E CB 0.194 29.814 29.700 -0.132 0.000 0.983 108 E HN 0.445 nan 8.360 nan 0.000 0.480 109 D N 0.210 120.529 120.400 -0.134 0.000 2.225 109 D HA 0.118 4.758 4.640 -0.000 0.000 0.249 109 D C -0.633 175.628 176.300 -0.064 0.000 1.052 109 D CA -0.108 53.825 54.000 -0.110 0.000 0.909 109 D CB 0.539 41.331 40.800 -0.014 0.000 1.186 109 D HN 0.215 nan 8.370 nan 0.000 0.431 110 Y N 1.147 121.508 120.300 0.101 0.000 2.511 110 Y HA 0.168 4.718 4.550 -0.000 0.000 0.332 110 Y C -1.669 174.273 175.900 0.070 0.000 1.177 110 Y CA -1.902 56.224 58.100 0.043 0.000 1.422 110 Y CB -0.130 38.315 38.460 -0.025 0.000 1.271 110 Y HN 0.046 nan 8.280 nan 0.000 0.550 111 P HA 0.204 nan 4.420 nan 0.000 0.281 111 P C -1.098 176.264 177.300 0.104 0.000 1.252 111 P CA -0.038 63.128 63.100 0.111 0.000 0.778 111 P CB 0.908 32.645 31.700 0.061 0.000 0.895 112 V N 3.822 123.808 119.914 0.119 0.000 2.709 112 V HA 0.392 4.512 4.120 -0.000 0.000 0.308 112 V C -0.606 175.571 176.094 0.140 0.000 1.062 112 V CA -0.504 61.869 62.300 0.122 0.000 0.901 112 V CB 2.439 34.364 31.823 0.170 0.000 1.003 112 V HN 0.383 nan 8.190 nan 0.000 0.425 113 D N 3.789 124.321 120.400 0.220 0.000 2.391 113 D HA 0.630 5.270 4.640 -0.000 0.000 0.245 113 D C -0.717 175.801 176.300 0.363 0.000 1.069 113 D CA -0.018 54.177 54.000 0.324 0.000 0.831 113 D CB 2.214 43.396 40.800 0.636 0.000 1.204 113 D HN 0.332 nan 8.370 nan 0.000 0.503 114 I N 2.533 123.231 120.570 0.214 0.000 2.447 114 I HA 0.226 4.396 4.170 -0.000 0.000 0.287 114 I C -1.222 175.031 176.117 0.227 0.000 1.023 114 I CA -0.986 60.446 61.300 0.219 0.000 1.083 114 I CB 1.542 39.584 38.000 0.071 0.000 1.245 114 I HN 0.232 nan 8.210 nan 0.000 0.434 115 Y N 7.086 127.500 120.300 0.189 0.000 2.335 115 Y HA 0.398 4.947 4.550 -0.000 0.000 0.338 115 Y C -1.059 175.089 175.900 0.412 0.000 0.977 115 Y CA -0.635 57.585 58.100 0.200 0.000 1.114 115 Y CB 1.075 39.548 38.460 0.020 0.000 1.182 115 Y HN 0.398 nan 8.280 nan 0.000 0.463 116 Y N 6.530 126.790 120.300 -0.067 0.000 2.320 116 Y HA 0.523 5.074 4.550 -0.000 0.000 0.334 116 Y C -1.595 174.319 175.900 0.022 0.000 1.055 116 Y CA -1.471 56.669 58.100 0.067 0.000 1.143 116 Y CB 0.989 39.539 38.460 0.149 0.000 1.193 116 Y HN 0.574 nan 8.280 nan 0.000 0.477 117 L N 7.347 128.619 121.223 0.081 0.000 2.318 117 L HA 0.478 4.818 4.340 -0.000 0.000 0.277 117 L C -0.881 175.930 176.870 -0.098 0.000 1.008 117 L CA -0.557 54.396 54.840 0.189 0.000 0.846 117 L CB 0.829 43.201 42.059 0.523 0.000 1.220 117 L HN 0.649 nan 8.230 nan 0.000 0.423 118 M N 3.087 122.581 119.600 -0.175 0.000 2.209 118 M HA 0.272 4.752 4.480 -0.000 0.000 0.355 118 M C -0.270 175.662 176.300 -0.614 0.000 1.171 118 M CA -0.507 54.552 55.300 -0.402 0.000 1.069 118 M CB 1.160 33.561 32.600 -0.332 0.000 1.622 118 M HN 0.387 nan 8.290 nan 0.000 0.459 119 D N 3.519 123.467 120.400 -0.753 0.000 2.365 119 D HA 0.149 4.789 4.640 -0.000 0.000 0.237 119 D C -0.473 175.507 176.300 -0.532 0.000 1.190 119 D CA -0.216 53.155 54.000 -1.047 0.000 0.867 119 D CB 0.842 41.285 40.800 -0.594 0.000 1.050 119 D HN 0.384 nan 8.370 nan 0.000 0.491 120 L N 3.375 124.328 121.223 -0.450 0.000 2.791 120 L HA 0.136 4.476 4.340 -0.000 0.000 0.239 120 L C 0.700 177.485 176.870 -0.142 0.000 1.203 120 L CA -0.087 54.640 54.840 -0.187 0.000 1.002 120 L CB -0.781 41.283 42.059 0.009 0.000 1.295 120 L HN 0.315 nan 8.230 nan 0.000 0.504 121 S N -2.690 112.909 115.700 -0.168 0.000 2.603 121 S HA 0.020 4.490 4.470 -0.000 0.000 0.268 121 S C 1.247 175.860 174.600 0.021 0.000 1.317 121 S CA -0.269 57.900 58.200 -0.052 0.000 1.012 121 S CB 0.415 63.599 63.200 -0.027 0.000 0.926 121 S HN 0.282 nan 8.310 nan 0.000 0.539 122 Y N 2.197 122.486 120.300 -0.018 0.000 2.298 122 Y HA -0.188 4.362 4.550 -0.000 0.000 0.287 122 Y C 2.539 178.438 175.900 -0.001 0.000 1.164 122 Y CA 2.025 60.126 58.100 0.002 0.000 1.229 122 Y CB -0.556 37.921 38.460 0.028 0.000 0.977 122 Y HN 0.856 nan 8.280 nan 0.000 0.538 123 S N -1.436 114.304 115.700 0.068 0.000 2.555 123 S HA -0.091 4.379 4.470 -0.000 0.000 0.230 123 S C 1.467 176.026 174.600 -0.069 0.000 0.978 123 S CA 0.765 58.972 58.200 0.012 0.000 0.934 123 S CB -0.241 62.988 63.200 0.048 0.000 0.766 123 S HN 0.360 nan 8.310 nan 0.000 0.533 124 M N 0.776 120.313 119.600 -0.106 0.000 2.428 124 M HA 0.312 4.792 4.480 -0.000 0.000 0.239 124 M C 1.741 177.959 176.300 -0.136 0.000 1.121 124 M CA 0.228 55.460 55.300 -0.113 0.000 1.019 124 M CB -0.563 31.959 32.600 -0.129 0.000 1.485 124 M HN 0.383 nan 8.290 nan 0.000 0.484 125 K N 1.660 121.923 120.400 -0.228 0.000 2.063 125 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 125 K C 1.190 177.707 176.600 -0.139 0.000 1.048 125 K CA 1.968 58.104 56.287 -0.252 0.000 0.928 125 K CB 0.113 32.309 32.500 -0.506 0.000 0.713 125 K HN 0.361 nan 8.250 nan 0.000 0.442 126 D N -0.519 119.810 120.400 -0.119 0.000 2.349 126 D HA -0.101 4.539 4.640 -0.000 0.000 0.224 126 D C 0.442 176.741 176.300 -0.002 0.000 1.029 126 D CA 0.600 54.568 54.000 -0.053 0.000 0.879 126 D CB 0.127 40.897 40.800 -0.050 0.000 0.906 126 D HN 0.209 nan 8.370 nan 0.000 0.528 127 D N -0.122 120.271 120.400 -0.011 0.000 2.441 127 D HA 0.021 4.661 4.640 -0.000 0.000 0.210 127 D C 1.940 178.257 176.300 0.028 0.000 1.102 127 D CA -0.305 53.708 54.000 0.022 0.000 0.840 127 D CB 0.571 41.361 40.800 -0.016 0.000 0.990 127 D HN 0.065 nan 8.370 nan 0.000 0.505 128 L N 0.384 121.612 121.223 0.008 0.000 2.043 128 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 128 L C 2.095 178.977 176.870 0.019 0.000 1.075 128 L CA 1.717 56.551 54.840 -0.009 0.000 0.752 128 L CB -0.592 41.456 42.059 -0.018 0.000 0.891 128 L HN 0.185 nan 8.230 nan 0.000 0.432 129 W N -0.469 120.799 121.300 -0.054 0.000 2.358 129 W HA -0.214 4.446 4.660 -0.000 0.000 0.303 129 W C 2.614 179.115 176.519 -0.030 0.000 1.208 129 W CA 1.955 59.275 57.345 -0.042 0.000 1.274 129 W CB -0.307 29.131 29.460 -0.037 0.000 1.138 129 W HN 0.085 nan 8.180 nan 0.000 0.515 130 S N 1.020 116.819 115.700 0.165 0.000 2.370 130 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 130 S C 1.850 176.361 174.600 -0.149 0.000 1.033 130 S CA 2.025 60.235 58.200 0.018 0.000 1.011 130 S CB -0.871 62.427 63.200 0.164 0.000 0.852 130 S HN 0.543 nan 8.310 nan 0.000 0.457 131 I N -0.336 120.182 120.570 -0.087 0.000 2.617 131 I HA -0.048 4.122 4.170 -0.000 0.000 0.256 131 I C 2.074 178.158 176.117 -0.056 0.000 1.167 131 I CA 1.064 62.350 61.300 -0.024 0.000 1.469 131 I CB -0.493 37.479 38.000 -0.046 0.000 1.098 131 I HN 0.168 nan 8.210 nan 0.000 0.436 132 Q N 1.325 120.994 119.800 -0.219 0.000 2.172 132 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 132 Q C 1.916 177.693 176.000 -0.372 0.000 0.964 132 Q CA 1.639 57.273 55.803 -0.282 0.000 0.855 132 Q CB -0.209 28.347 28.738 -0.303 0.000 0.918 132 Q HN 0.592 nan 8.270 nan 0.000 0.444 133 N N 0.772 119.135 118.700 -0.562 0.000 2.080 133 N HA -0.165 4.575 4.740 -0.000 0.000 0.189 133 N C 1.582 176.887 175.510 -0.341 0.000 1.036 133 N CA 0.734 53.421 53.050 -0.606 0.000 0.846 133 N CB -0.135 37.715 38.487 -1.062 0.000 1.015 133 N HN 0.147 nan 8.380 nan 0.000 0.423 134 L N 0.109 121.176 121.223 -0.260 0.000 2.127 134 L HA 0.079 4.419 4.340 -0.000 0.000 0.211 134 L C 1.988 178.680 176.870 -0.297 0.000 1.089 134 L CA 1.942 56.672 54.840 -0.183 0.000 0.757 134 L CB -0.981 41.042 42.059 -0.059 0.000 0.899 134 L HN 0.284 nan 8.230 nan 0.000 0.434 135 G N -2.043 106.554 108.800 -0.339 0.000 2.408 135 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 135 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 135 G C 1.420 176.256 174.900 -0.107 0.000 1.150 135 G CA 1.067 45.898 45.100 -0.449 0.000 0.776 135 G HN 0.423 nan 8.290 nan 0.000 0.542 136 T N 0.648 115.124 114.554 -0.130 0.000 2.732 136 T HA -0.019 4.331 4.350 -0.000 0.000 0.261 136 T C 2.379 177.030 174.700 -0.082 0.000 1.040 136 T CA 1.371 63.434 62.100 -0.061 0.000 1.145 136 T CB -0.135 68.664 68.868 -0.115 0.000 0.866 136 T HN 0.133 nan 8.240 nan 0.000 0.427 137 K N 0.698 121.025 120.400 -0.121 0.000 2.211 137 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 137 K C 1.883 178.416 176.600 -0.112 0.000 1.047 137 K CA 0.522 56.747 56.287 -0.103 0.000 0.935 137 K CB -0.561 31.879 32.500 -0.100 0.000 0.728 137 K HN 0.089 nan 8.250 nan 0.000 0.452 138 L N -0.021 121.110 121.223 -0.153 0.000 1.994 138 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 138 L C 2.024 178.791 176.870 -0.172 0.000 1.071 138 L CA 2.101 56.838 54.840 -0.173 0.000 0.745 138 L CB -1.001 40.900 42.059 -0.263 0.000 0.892 138 L HN 0.191 nan 8.230 nan 0.000 0.431 139 A N -2.455 120.243 122.820 -0.203 0.000 2.121 139 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 139 A C 2.229 179.733 177.584 -0.134 0.000 1.154 139 A CA 1.900 53.807 52.037 -0.216 0.000 0.679 139 A CB -0.725 18.114 19.000 -0.269 0.000 0.795 139 A HN 0.468 nan 8.150 nan 0.000 0.458 140 T N -0.873 113.618 114.554 -0.105 0.000 2.706 140 T HA -0.099 4.251 4.350 -0.000 0.000 0.255 140 T C 2.098 176.747 174.700 -0.085 0.000 1.048 140 T CA 1.542 63.594 62.100 -0.080 0.000 1.153 140 T CB -0.274 68.556 68.868 -0.064 0.000 0.865 140 T HN 0.513 nan 8.240 nan 0.000 0.414 141 Q N 0.510 120.259 119.800 -0.084 0.000 2.173 141 Q HA -0.111 4.229 4.340 -0.000 0.000 0.208 141 Q C 2.044 177.980 176.000 -0.107 0.000 0.989 141 Q CA 1.680 57.435 55.803 -0.081 0.000 0.872 141 Q CB -0.347 28.351 28.738 -0.066 0.000 0.909 141 Q HN 0.289 nan 8.270 nan 0.000 0.420 142 M N -0.980 118.549 119.600 -0.118 0.000 2.288 142 M HA 0.022 4.502 4.480 -0.000 0.000 0.266 142 M C 1.973 178.180 176.300 -0.155 0.000 1.072 142 M CA 1.068 56.280 55.300 -0.147 0.000 1.132 142 M CB -0.499 32.032 32.600 -0.116 0.000 1.386 142 M HN 0.108 nan 8.290 nan 0.000 0.432 143 R N 0.971 121.398 120.500 -0.121 0.000 2.120 143 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 143 R C 1.188 177.425 176.300 -0.105 0.000 1.123 143 R CA 1.261 57.300 56.100 -0.102 0.000 0.975 143 R CB -0.138 30.113 30.300 -0.082 0.000 0.866 143 R HN 0.263 nan 8.270 nan 0.000 0.446 144 K N -0.711 119.622 120.400 -0.112 0.000 2.520 144 K HA 0.095 4.415 4.320 -0.000 0.000 0.205 144 K C 0.052 176.563 176.600 -0.149 0.000 1.035 144 K CA 0.008 56.232 56.287 -0.104 0.000 1.188 144 K CB 0.510 32.963 32.500 -0.078 0.000 0.894 144 K HN 0.050 nan 8.250 nan 0.000 0.497 145 L N -1.310 119.774 121.223 -0.231 0.000 3.154 145 L HA 0.146 4.486 4.340 -0.000 0.000 0.280 145 L C 0.042 176.617 176.870 -0.491 0.000 1.134 145 L CA 0.547 55.137 54.840 -0.416 0.000 1.037 145 L CB 1.620 43.316 42.059 -0.605 0.000 1.571 145 L HN 0.042 nan 8.230 nan 0.000 0.576 146 T N -2.777 111.605 114.554 -0.287 0.000 2.718 146 T HA 0.396 4.746 4.350 -0.000 0.000 0.306 146 T C -0.073 174.578 174.700 -0.082 0.000 1.485 146 T CA 0.340 62.357 62.100 -0.140 0.000 0.997 146 T CB 1.120 69.957 68.868 -0.053 0.000 1.504 146 T HN -0.065 nan 8.240 nan 0.000 0.497 147 S N 0.961 116.639 115.700 -0.038 0.000 2.687 147 S HA 0.282 4.752 4.470 -0.000 0.000 0.247 147 S C 0.497 175.088 174.600 -0.015 0.000 1.050 147 S CA -0.276 57.904 58.200 -0.033 0.000 1.063 147 S CB -0.046 63.136 63.200 -0.031 0.000 1.039 147 S HN 0.545 nan 8.310 nan 0.000 0.580 148 N N 1.963 120.667 118.700 0.006 0.000 3.131 148 N HA 0.376 5.116 4.740 -0.000 0.000 0.312 148 N C -0.949 174.580 175.510 0.032 0.000 1.433 148 N CA -0.390 52.673 53.050 0.021 0.000 1.141 148 N CB 0.007 38.514 38.487 0.034 0.000 1.431 148 N HN 0.443 nan 8.380 nan 0.000 0.523 149 L N 0.820 122.047 121.223 0.007 0.000 2.325 149 L HA 0.575 4.915 4.340 -0.000 0.000 0.279 149 L C -0.506 176.360 176.870 -0.006 0.000 1.054 149 L CA -0.249 54.590 54.840 -0.001 0.000 0.804 149 L CB 0.828 42.861 42.059 -0.044 0.000 1.200 149 L HN 0.031 nan 8.230 nan 0.000 0.436 150 R N 5.838 126.341 120.500 0.006 0.000 2.532 150 R HA 0.579 4.919 4.340 -0.000 0.000 0.297 150 R C -1.398 174.886 176.300 -0.026 0.000 0.984 150 R CA -0.490 55.612 56.100 0.004 0.000 0.884 150 R CB 1.762 32.090 30.300 0.046 0.000 1.182 150 R HN 0.787 nan 8.270 nan 0.000 0.442 151 I N 0.362 120.882 120.570 -0.084 0.000 2.969 151 I HA 0.814 4.984 4.170 -0.000 0.000 0.307 151 I C -0.503 175.609 176.117 -0.009 0.000 1.149 151 I CA -0.465 60.730 61.300 -0.175 0.000 1.008 151 I CB 2.589 40.250 38.000 -0.566 0.000 1.232 151 I HN 0.706 nan 8.210 nan 0.000 0.435 152 G N 3.864 112.766 108.800 0.169 0.000 2.488 152 G HA2 0.599 4.559 3.960 -0.000 0.000 0.301 152 G HA3 0.599 4.559 3.960 -0.000 0.000 0.301 152 G C -1.842 173.351 174.900 0.489 0.000 1.339 152 G CA -0.366 45.025 45.100 0.484 0.000 0.803 152 G HN 0.808 nan 8.290 nan 0.000 0.482 153 F N -2.013 117.906 119.950 -0.052 0.000 2.773 153 F HA 0.897 5.424 4.527 -0.000 0.000 0.314 153 F C -0.216 175.373 175.800 -0.351 0.000 1.160 153 F CA -0.675 57.023 58.000 -0.503 0.000 0.920 153 F CB 1.271 40.233 39.000 -0.063 0.000 1.323 153 F HN 1.275 nan 8.300 nan 0.000 0.457 154 G N -0.104 108.543 108.800 -0.255 0.000 2.695 154 G HA2 0.888 4.848 3.960 -0.000 0.000 0.290 154 G HA3 0.888 4.848 3.960 -0.000 0.000 0.290 154 G C -2.275 172.746 174.900 0.201 0.000 1.410 154 G CA -0.554 44.560 45.100 0.024 0.000 0.844 154 G HN 1.370 nan 8.290 nan 0.000 0.478 155 A N -0.537 122.383 122.820 0.167 0.000 2.469 155 A HA 0.980 5.300 4.320 -0.000 0.000 0.299 155 A C -1.140 176.821 177.584 0.630 0.000 1.098 155 A CA -0.761 51.448 52.037 0.286 0.000 0.737 155 A CB 1.452 20.564 19.000 0.187 0.000 1.312 155 A HN 1.918 nan 8.150 nan 0.000 0.414 156 F N -0.693 119.557 119.950 0.500 0.000 2.631 156 F HA 0.760 5.287 4.527 -0.000 0.000 0.308 156 F C -0.565 175.294 175.800 0.099 0.000 1.097 156 F CA -0.773 57.497 58.000 0.450 0.000 0.952 156 F CB 0.792 40.053 39.000 0.436 0.000 1.307 156 F HN 0.348 nan 8.300 nan 0.000 0.450 157 V N -0.619 119.328 119.914 0.056 0.000 4.213 157 V HA 0.442 4.562 4.120 -0.000 0.000 0.179 157 V C -0.832 175.376 176.094 0.189 0.000 1.148 157 V CA 0.573 62.814 62.300 -0.099 0.000 1.346 157 V CB 0.601 32.176 31.823 -0.413 0.000 1.703 157 V HN 0.905 nan 8.190 nan 0.000 0.525 158 D N -1.217 119.261 120.400 0.131 0.000 2.738 158 D HA 0.242 4.882 4.640 -0.000 0.000 0.308 158 D C -1.482 174.907 176.300 0.149 0.000 1.311 158 D CA -0.598 53.504 54.000 0.171 0.000 0.799 158 D CB 1.609 42.464 40.800 0.092 0.000 1.332 158 D HN 0.069 nan 8.370 nan 0.000 0.441 159 K N 1.306 121.768 120.400 0.104 0.000 2.436 159 K HA 0.208 4.528 4.320 -0.000 0.000 0.282 159 K C -2.073 174.636 176.600 0.180 0.000 1.044 159 K CA -0.987 55.368 56.287 0.114 0.000 1.028 159 K CB 0.358 32.888 32.500 0.050 0.000 0.919 159 K HN 0.017 nan 8.250 nan 0.000 0.474 160 P HA -0.039 nan 4.420 nan 0.000 0.235 160 P C -1.033 176.321 177.300 0.090 0.000 1.720 160 P CA 0.067 63.231 63.100 0.108 0.000 1.003 160 P CB -0.073 31.678 31.700 0.086 0.000 1.968 161 V N -3.055 116.938 119.914 0.132 0.000 3.147 161 V HA 0.559 4.679 4.120 -0.000 0.000 0.306 161 V C -0.078 176.004 176.094 -0.021 0.000 1.209 161 V CA -1.214 61.117 62.300 0.051 0.000 1.023 161 V CB 1.814 33.655 31.823 0.030 0.000 1.059 161 V HN 0.006 nan 8.190 nan 0.000 0.435 162 S N 2.122 117.764 115.700 -0.097 0.000 2.565 162 S HA 0.463 4.933 4.470 -0.000 0.000 0.276 162 S C -1.100 173.299 174.600 -0.335 0.000 1.326 162 S CA -0.633 57.464 58.200 -0.172 0.000 1.045 162 S CB 1.112 64.243 63.200 -0.116 0.000 0.918 162 S HN 0.879 nan 8.310 nan 0.000 0.505 163 P HA 0.046 nan 4.420 nan 0.000 0.245 163 P C 0.396 177.532 177.300 -0.274 0.000 1.206 163 P CA 0.425 63.333 63.100 -0.321 0.000 0.781 163 P CB -0.014 31.523 31.700 -0.271 0.000 0.994 164 Y N 0.367 120.628 120.300 -0.066 0.000 2.165 164 Y HA -0.024 4.526 4.550 -0.000 0.000 0.286 164 Y C 1.916 177.732 175.900 -0.140 0.000 1.155 164 Y CA 0.542 58.610 58.100 -0.054 0.000 1.164 164 Y CB -1.162 37.321 38.460 0.037 0.000 0.978 164 Y HN -0.002 nan 8.280 nan 0.000 0.513 165 M N 0.058 119.673 119.600 0.025 0.000 2.209 165 M HA 0.288 4.768 4.480 -0.000 0.000 0.355 165 M C -1.465 174.780 176.300 -0.091 0.000 1.171 165 M CA -0.792 54.501 55.300 -0.012 0.000 1.069 165 M CB 0.666 33.307 32.600 0.068 0.000 1.622 165 M HN 0.045 nan 8.290 nan 0.000 0.459 166 Y N 5.419 125.741 120.300 0.036 0.000 2.544 166 Y HA 0.097 4.647 4.550 -0.000 0.000 0.330 166 Y C 1.036 176.942 175.900 0.009 0.000 1.136 166 Y CA 0.227 58.337 58.100 0.017 0.000 1.417 166 Y CB 0.074 38.543 38.460 0.015 0.000 1.229 166 Y HN 0.662 nan 8.280 nan 0.000 0.532 167 I N -0.350 120.292 120.570 0.121 0.000 3.936 167 I HA 0.412 4.582 4.170 -0.000 0.000 0.330 167 I C -0.247 175.899 176.117 0.050 0.000 1.509 167 I CA -0.192 61.146 61.300 0.064 0.000 1.126 167 I CB 0.129 38.141 38.000 0.021 0.000 1.115 167 I HN 0.387 nan 8.210 nan 0.000 0.424 168 S N -0.223 115.521 115.700 0.074 0.000 2.543 168 S HA 0.661 5.131 4.470 -0.000 0.000 0.274 168 S C -2.985 171.643 174.600 0.047 0.000 1.149 168 S CA -0.833 57.390 58.200 0.038 0.000 0.866 168 S CB 1.260 64.479 63.200 0.032 0.000 1.111 168 S HN -0.020 nan 8.310 nan 0.000 0.457 169 P HA 0.410 nan 4.420 nan 0.000 0.282 169 P C -2.076 175.176 177.300 -0.080 0.000 1.286 169 P CA -1.398 61.674 63.100 -0.047 0.000 0.777 169 P CB -0.234 31.412 31.700 -0.090 0.000 1.184 170 P HA -0.107 nan 4.420 nan 0.000 0.222 170 P C 0.821 178.035 177.300 -0.144 0.000 1.147 170 P CA 1.165 64.209 63.100 -0.094 0.000 0.790 170 P CB 0.013 31.665 31.700 -0.081 0.000 0.780 171 E N -0.558 119.475 120.200 -0.278 0.000 2.338 171 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 171 E C 1.966 178.433 176.600 -0.222 0.000 1.007 171 E CA 0.993 57.156 56.400 -0.396 0.000 0.849 171 E CB -0.821 28.231 29.700 -1.079 0.000 0.774 171 E HN 0.187 nan 8.360 nan 0.000 0.506 172 A N 0.362 123.104 122.820 -0.131 0.000 1.970 172 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 172 A C 1.654 179.252 177.584 0.023 0.000 1.170 172 A CA 0.597 52.623 52.037 -0.019 0.000 0.645 172 A CB -0.136 18.876 19.000 0.022 0.000 0.816 172 A HN 0.151 nan 8.150 nan 0.000 0.447 173 L N -0.584 120.644 121.223 0.008 0.000 2.456 173 L HA -0.043 4.297 4.340 -0.000 0.000 0.224 173 L C 1.864 178.752 176.870 0.031 0.000 1.148 173 L CA 1.569 56.426 54.840 0.028 0.000 0.825 173 L CB -1.059 41.007 42.059 0.011 0.000 0.937 173 L HN 0.361 nan 8.230 nan 0.000 0.450 174 E N -0.999 119.211 120.200 0.017 0.000 2.421 174 E HA 0.081 4.431 4.350 -0.000 0.000 0.209 174 E C 0.398 177.028 176.600 0.050 0.000 0.871 174 E CA 0.145 56.562 56.400 0.029 0.000 1.064 174 E CB 0.430 30.135 29.700 0.008 0.000 1.075 174 E HN 0.149 nan 8.360 nan 0.000 0.513 175 N N -0.007 118.722 118.700 0.049 0.000 2.707 175 N HA 0.219 4.959 4.740 -0.000 0.000 0.249 175 N C -2.580 172.972 175.510 0.069 0.000 1.299 175 N CA -1.803 51.295 53.050 0.079 0.000 0.769 175 N CB 1.323 39.883 38.487 0.121 0.000 1.236 175 N HN -0.216 nan 8.380 nan 0.000 0.524 176 P HA 0.029 nan 4.420 nan 0.000 0.229 176 P C 0.439 177.664 177.300 -0.125 0.000 1.150 176 P CA 0.778 63.877 63.100 -0.003 0.000 0.765 176 P CB 0.231 31.978 31.700 0.078 0.000 0.783 177 c N -3.826 114.741 118.600 -0.054 0.000 2.791 177 c HA 0.151 4.721 4.570 -0.000 0.000 0.270 177 c C 2.213 176.260 174.090 -0.073 0.000 1.257 177 c CA -0.562 55.698 56.329 -0.116 0.000 1.699 177 c CB -2.027 40.459 42.510 -0.040 0.000 1.904 177 c HN 0.251 nan 8.230 nan 0.000 0.603 178 Y N 2.884 123.115 120.300 -0.115 0.000 2.102 178 Y HA -0.304 4.246 4.550 -0.000 0.000 0.280 178 Y C 2.028 177.867 175.900 -0.101 0.000 1.178 178 Y CA 2.469 60.517 58.100 -0.086 0.000 1.146 178 Y CB -0.361 38.057 38.460 -0.070 0.000 0.968 178 Y HN 0.349 nan 8.280 nan 0.000 0.504 179 D N -0.433 119.923 120.400 -0.073 0.000 2.265 179 D HA -0.203 4.437 4.640 -0.000 0.000 0.208 179 D C 1.633 177.811 176.300 -0.203 0.000 0.977 179 D CA 1.478 55.394 54.000 -0.140 0.000 0.871 179 D CB -0.211 40.509 40.800 -0.135 0.000 0.925 179 D HN 0.502 nan 8.370 nan 0.000 0.485 180 M N -0.735 118.738 119.600 -0.211 0.000 2.428 180 M HA 0.150 4.630 4.480 -0.000 0.000 0.239 180 M C 0.078 176.287 176.300 -0.151 0.000 1.121 180 M CA 0.092 55.291 55.300 -0.169 0.000 1.019 180 M CB 0.402 32.900 32.600 -0.171 0.000 1.485 180 M HN -0.187 nan 8.290 nan 0.000 0.484 181 K N 1.655 121.925 120.400 -0.218 0.000 3.161 181 K HA -0.146 4.174 4.320 -0.000 0.000 0.270 181 K C -0.164 176.369 176.600 -0.112 0.000 1.115 181 K CA 0.876 57.043 56.287 -0.199 0.000 0.789 181 K CB -1.964 30.443 32.500 -0.154 0.000 1.256 181 K HN 0.625 nan 8.250 nan 0.000 0.492 182 T N -4.772 109.727 114.554 -0.091 0.000 2.618 182 T HA 0.643 4.993 4.350 -0.000 0.000 0.286 182 T C -0.400 174.300 174.700 0.002 0.000 1.027 182 T CA -0.181 61.906 62.100 -0.021 0.000 1.063 182 T CB 2.623 71.507 68.868 0.026 0.000 1.440 182 T HN 0.059 nan 8.240 nan 0.000 0.505 183 T N -0.528 114.053 114.554 0.044 0.000 2.923 183 T HA 0.680 5.030 4.350 -0.000 0.000 0.311 183 T C -0.960 173.794 174.700 0.091 0.000 1.183 183 T CA -0.262 61.875 62.100 0.063 0.000 1.020 183 T CB 0.647 69.549 68.868 0.058 0.000 1.165 183 T HN 1.566 nan 8.240 nan 0.000 0.482 184 c N 2.994 121.652 118.600 0.097 0.000 3.320 184 c HA 0.771 5.341 4.570 -0.000 0.000 0.335 184 c C -0.822 173.334 174.090 0.110 0.000 1.430 184 c CA -1.366 55.034 56.329 0.118 0.000 1.271 184 c CB -0.136 42.475 42.510 0.168 0.000 1.609 184 c HN 0.989 nan 8.230 nan 0.000 0.457 185 L N 2.360 123.660 121.223 0.128 0.000 2.436 185 L HA 0.462 4.802 4.340 -0.000 0.000 0.265 185 L C -1.709 175.256 176.870 0.159 0.000 1.168 185 L CA -1.247 53.680 54.840 0.145 0.000 0.815 185 L CB 0.411 42.581 42.059 0.185 0.000 1.109 185 L HN 0.544 nan 8.230 nan 0.000 0.462 186 P HA -0.045 nan 4.420 nan 0.000 0.270 186 P C -0.638 176.782 177.300 0.199 0.000 1.227 186 P CA -0.209 62.984 63.100 0.154 0.000 0.788 186 P CB 0.623 32.404 31.700 0.135 0.000 0.926 187 M N 1.913 121.594 119.600 0.135 0.000 2.274 187 M HA 0.458 4.938 4.480 -0.000 0.000 0.344 187 M C -0.848 175.536 176.300 0.141 0.000 1.161 187 M CA -0.200 55.125 55.300 0.041 0.000 1.126 187 M CB 0.029 32.653 32.600 0.041 0.000 1.522 187 M HN 0.307 nan 8.290 nan 0.000 0.461 188 F N 1.393 121.436 119.950 0.154 0.000 2.643 188 F HA 0.798 5.325 4.527 -0.000 0.000 0.314 188 F C 0.230 176.178 175.800 0.247 0.000 1.096 188 F CA -0.705 57.410 58.000 0.192 0.000 0.953 188 F CB 0.485 39.643 39.000 0.264 0.000 1.345 188 F HN 0.560 nan 8.300 nan 0.000 0.468 189 G N 0.090 109.188 108.800 0.497 0.000 2.607 189 G HA2 0.111 4.071 3.960 -0.000 0.000 0.215 189 G HA3 0.111 4.071 3.960 -0.000 0.000 0.215 189 G C -1.225 174.107 174.900 0.719 0.000 1.275 189 G CA 0.892 46.281 45.100 0.481 0.000 0.842 189 G HN 0.805 nan 8.290 nan 0.000 0.555 190 Y N 0.478 121.168 120.300 0.649 0.000 2.373 190 Y HA 0.660 5.210 4.550 -0.000 0.000 0.336 190 Y C -0.737 175.414 175.900 0.418 0.000 0.979 190 Y CA -1.574 56.875 58.100 0.581 0.000 1.080 190 Y CB 1.699 40.421 38.460 0.437 0.000 1.190 190 Y HN 0.157 nan 8.280 nan 0.000 0.446 191 K N 4.889 125.031 120.400 -0.430 0.000 2.413 191 K HA 0.290 4.610 4.320 -0.000 0.000 0.257 191 K C -1.805 174.287 176.600 -0.846 0.000 0.946 191 K CA -0.880 54.942 56.287 -0.774 0.000 0.823 191 K CB 0.686 32.606 32.500 -0.966 0.000 1.109 191 K HN 0.879 nan 8.250 nan 0.000 0.427 192 H N 4.081 122.648 119.070 -0.838 0.000 2.723 192 H HA 0.146 4.702 4.556 -0.000 0.000 0.294 192 H C 0.264 175.344 175.328 -0.412 0.000 1.079 192 H CA -0.145 55.633 56.048 -0.450 0.000 1.411 192 H CB 1.130 30.764 29.762 -0.214 0.000 1.439 192 H HN 0.409 nan 8.280 nan 0.000 0.474 193 V N 5.358 124.776 119.914 -0.827 0.000 2.581 193 V HA 0.266 4.386 4.120 -0.000 0.000 0.240 193 V C -0.275 175.320 176.094 -0.830 0.000 1.054 193 V CA 0.652 62.440 62.300 -0.853 0.000 1.076 193 V CB -0.031 31.252 31.823 -0.899 0.000 0.748 193 V HN 0.486 nan 8.190 nan 0.000 0.474 194 L N 1.585 122.300 121.223 -0.846 0.000 2.376 194 L HA 0.667 5.007 4.340 -0.000 0.000 0.275 194 L C 0.026 176.856 176.870 -0.067 0.000 0.987 194 L CA 0.058 54.670 54.840 -0.381 0.000 0.828 194 L CB 1.422 43.403 42.059 -0.130 0.000 1.249 194 L HN 0.285 nan 8.230 nan 0.000 0.409 195 T N 4.517 119.090 114.554 0.032 0.000 2.802 195 T HA 0.293 4.643 4.350 -0.000 0.000 0.305 195 T C 0.443 175.244 174.700 0.167 0.000 1.053 195 T CA -0.320 61.921 62.100 0.235 0.000 1.058 195 T CB 0.295 69.260 68.868 0.161 0.000 0.988 195 T HN 0.491 nan 8.240 nan 0.000 0.539 196 L N 2.288 123.567 121.223 0.095 0.000 2.638 196 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 196 L C 0.926 177.824 176.870 0.047 0.000 1.147 196 L CA 0.152 55.023 54.840 0.052 0.000 0.941 196 L CB -0.213 41.817 42.059 -0.048 0.000 1.251 196 L HN 0.659 nan 8.230 nan 0.000 0.479 197 T N -0.167 114.421 114.554 0.057 0.000 2.887 197 T HA 0.301 4.651 4.350 -0.000 0.000 0.292 197 T C 0.321 175.032 174.700 0.017 0.000 1.087 197 T CA -0.494 61.632 62.100 0.044 0.000 1.009 197 T CB 1.611 70.517 68.868 0.064 0.000 1.203 197 T HN 0.702 nan 8.240 nan 0.000 0.518 198 D N -0.002 120.406 120.400 0.014 0.000 2.360 198 D HA 0.078 4.718 4.640 -0.000 0.000 0.210 198 D C 0.563 176.864 176.300 0.001 0.000 1.047 198 D CA 0.088 54.086 54.000 -0.005 0.000 0.854 198 D CB -0.060 40.740 40.800 -0.001 0.000 0.936 198 D HN 0.472 nan 8.370 nan 0.000 0.514 199 Q N 1.161 120.977 119.800 0.026 0.000 3.151 199 Q HA 0.092 4.432 4.340 -0.000 0.000 0.277 199 Q C 0.942 176.982 176.000 0.066 0.000 1.343 199 Q CA -0.259 55.568 55.803 0.040 0.000 0.925 199 Q CB 0.555 29.322 28.738 0.049 0.000 1.771 199 Q HN 0.189 nan 8.270 nan 0.000 0.514 200 V N 0.577 120.511 119.914 0.033 0.000 2.527 200 V HA -0.355 3.765 4.120 -0.000 0.000 0.255 200 V C 2.405 178.565 176.094 0.109 0.000 1.081 200 V CA 2.491 64.819 62.300 0.047 0.000 1.092 200 V CB -1.118 30.691 31.823 -0.022 0.000 0.673 200 V HN 0.782 nan 8.190 nan 0.000 0.470 201 T N -1.720 112.875 114.554 0.069 0.000 2.777 201 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 201 T C 2.011 176.753 174.700 0.071 0.000 1.040 201 T CA 1.282 63.416 62.100 0.056 0.000 1.141 201 T CB -0.326 68.560 68.868 0.031 0.000 0.868 201 T HN 0.364 nan 8.240 nan 0.000 0.444 202 R N -0.191 120.361 120.500 0.087 0.000 2.066 202 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 202 R C 2.287 178.662 176.300 0.124 0.000 1.131 202 R CA 1.410 57.561 56.100 0.085 0.000 0.955 202 R CB -0.610 29.740 30.300 0.084 0.000 0.851 202 R HN 0.514 nan 8.270 nan 0.000 0.432 203 F N 1.748 121.715 119.950 0.029 0.000 2.126 203 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 203 F C 1.552 177.329 175.800 -0.037 0.000 1.096 203 F CA 2.029 60.057 58.000 0.046 0.000 1.255 203 F CB -0.379 38.639 39.000 0.029 0.000 0.997 203 F HN 0.081 nan 8.300 nan 0.000 0.479 204 N N -0.283 118.471 118.700 0.090 0.000 2.309 204 N HA -0.137 4.603 4.740 -0.000 0.000 0.182 204 N C 1.588 177.010 175.510 -0.147 0.000 1.018 204 N CA 1.093 54.100 53.050 -0.071 0.000 0.876 204 N CB -0.088 38.419 38.487 0.034 0.000 0.972 204 N HN 0.482 nan 8.380 nan 0.000 0.434 205 E N 0.680 120.831 120.200 -0.082 0.000 2.028 205 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 205 E C 1.565 178.108 176.600 -0.095 0.000 0.984 205 E CA 0.774 57.133 56.400 -0.068 0.000 0.800 205 E CB 0.089 29.776 29.700 -0.023 0.000 0.758 205 E HN 0.214 nan 8.360 nan 0.000 0.448 206 E N 0.405 120.559 120.200 -0.077 0.000 2.085 206 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 206 E C 1.993 178.529 176.600 -0.106 0.000 0.994 206 E CA 0.818 57.215 56.400 -0.005 0.000 0.801 206 E CB -0.079 29.725 29.700 0.173 0.000 0.743 206 E HN 0.016 nan 8.360 nan 0.000 0.453 207 V N 0.664 120.290 119.914 -0.479 0.000 2.720 207 V HA -0.235 3.885 4.120 -0.000 0.000 0.256 207 V C 1.709 177.596 176.094 -0.345 0.000 1.082 207 V CA 1.711 63.589 62.300 -0.703 0.000 1.101 207 V CB -0.320 30.907 31.823 -0.993 0.000 0.693 207 V HN 0.229 nan 8.190 nan 0.000 0.479 208 K N -0.296 119.965 120.400 -0.230 0.000 2.379 208 K HA 0.092 4.412 4.320 -0.000 0.000 0.194 208 K C 1.281 177.832 176.600 -0.082 0.000 1.031 208 K CA 0.196 56.398 56.287 -0.143 0.000 1.037 208 K CB 0.110 32.542 32.500 -0.114 0.000 0.824 208 K HN 0.362 nan 8.250 nan 0.000 0.516 209 K N 1.349 121.709 120.400 -0.066 0.000 2.596 209 K HA 0.105 4.425 4.320 -0.000 0.000 0.211 209 K C -0.107 176.485 176.600 -0.013 0.000 1.046 209 K CA 0.110 56.379 56.287 -0.029 0.000 1.202 209 K CB 0.396 32.885 32.500 -0.019 0.000 0.925 209 K HN 0.025 nan 8.250 nan 0.000 0.486 210 Q N 0.627 120.411 119.800 -0.025 0.000 2.301 210 Q HA 0.364 4.704 4.340 -0.000 0.000 0.267 210 Q C -0.256 175.742 176.000 -0.003 0.000 1.035 210 Q CA -0.411 55.392 55.803 -0.001 0.000 0.856 210 Q CB 2.240 30.976 28.738 -0.004 0.000 1.337 210 Q HN 0.217 nan 8.270 nan 0.000 0.450 211 S N -1.614 114.101 115.700 0.024 0.000 2.570 211 S HA 0.603 5.073 4.470 -0.000 0.000 0.270 211 S C -0.027 174.604 174.600 0.052 0.000 1.149 211 S CA -0.848 57.367 58.200 0.025 0.000 0.837 211 S CB 0.737 63.957 63.200 0.032 0.000 1.124 211 S HN 0.483 nan 8.310 nan 0.000 0.465 212 V N -0.211 119.719 119.914 0.027 0.000 3.376 212 V HA 0.756 4.876 4.120 -0.000 0.000 0.303 212 V C 0.444 176.605 176.094 0.113 0.000 1.100 212 V CA 0.308 62.633 62.300 0.040 0.000 1.126 212 V CB 0.906 32.715 31.823 -0.024 0.000 1.085 212 V HN 1.203 nan 8.190 nan 0.000 0.480 213 S N 0.602 116.372 115.700 0.116 0.000 2.900 213 S HA 0.682 5.152 4.470 -0.000 0.000 0.320 213 S C -0.649 174.058 174.600 0.178 0.000 1.130 213 S CA -1.089 57.188 58.200 0.127 0.000 0.863 213 S CB 1.789 65.009 63.200 0.032 0.000 1.295 213 S HN 0.961 nan 8.310 nan 0.000 0.596 214 R N 1.326 121.907 120.500 0.135 0.000 2.744 214 R HA 0.503 4.843 4.340 -0.000 0.000 0.279 214 R C -1.266 175.153 176.300 0.200 0.000 0.977 214 R CA -0.590 55.607 56.100 0.162 0.000 0.906 214 R CB 1.795 32.131 30.300 0.060 0.000 1.197 214 R HN 0.850 nan 8.270 nan 0.000 0.463 215 N N 0.308 119.150 118.700 0.237 0.000 2.610 215 N HA 0.210 4.950 4.740 -0.000 0.000 0.264 215 N C 0.013 175.595 175.510 0.119 0.000 1.348 215 N CA -0.311 52.830 53.050 0.151 0.000 0.819 215 N CB 2.367 40.919 38.487 0.109 0.000 1.521 215 N HN 0.493 nan 8.380 nan 0.000 0.497 216 R N 0.144 120.575 120.500 -0.114 0.000 2.128 216 R HA 0.039 4.379 4.340 -0.000 0.000 0.211 216 R C -0.346 175.966 176.300 0.019 0.000 1.067 216 R CA 0.843 56.839 56.100 -0.174 0.000 1.010 216 R CB -0.034 29.972 30.300 -0.490 0.000 0.922 216 R HN 0.628 nan 8.270 nan 0.000 0.457 217 D N -0.500 119.950 120.400 0.084 0.000 2.185 217 D HA 0.198 4.838 4.640 -0.000 0.000 0.247 217 D C 0.596 176.933 176.300 0.062 0.000 1.027 217 D CA -0.002 54.059 54.000 0.103 0.000 0.861 217 D CB 1.731 42.644 40.800 0.188 0.000 1.202 217 D HN 0.092 nan 8.370 nan 0.000 0.453 218 A N 2.983 125.822 122.820 0.031 0.000 1.870 218 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 218 A C -1.323 176.224 177.584 -0.062 0.000 1.224 218 A CA 1.138 53.176 52.037 0.001 0.000 0.650 218 A CB -2.128 16.869 19.000 -0.004 0.000 0.836 218 A HN 0.619 nan 8.150 nan 0.000 0.454 219 P HA 0.190 nan 4.420 nan 0.000 0.266 219 P C -0.089 176.992 177.300 -0.365 0.000 1.195 219 P CA 0.365 63.219 63.100 -0.410 0.000 0.768 219 P CB 0.532 31.707 31.700 -0.875 0.000 0.838 220 E N 1.045 121.117 120.200 -0.213 0.000 2.334 220 E HA 0.470 4.820 4.350 -0.000 0.000 0.256 220 E C 0.676 177.295 176.600 0.031 0.000 0.958 220 E CA -0.879 55.537 56.400 0.026 0.000 0.821 220 E CB 0.660 30.504 29.700 0.240 0.000 1.269 220 E HN 0.413 nan 8.360 nan 0.000 0.413 221 G N -0.234 108.698 108.800 0.220 0.000 4.294 221 G HA2 0.285 4.245 3.960 -0.000 0.000 0.301 221 G HA3 0.285 4.245 3.960 -0.000 0.000 0.301 221 G C 0.847 175.772 174.900 0.041 0.000 1.321 221 G CA 0.140 45.371 45.100 0.218 0.000 1.190 221 G HN 0.429 nan 8.290 nan 0.000 0.600 222 G N 0.775 109.417 108.800 -0.264 0.000 2.408 222 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 222 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 222 G C 1.382 176.253 174.900 -0.048 0.000 1.150 222 G CA 0.484 45.142 45.100 -0.736 0.000 0.776 222 G HN 0.358 nan 8.290 nan 0.000 0.542 223 F N 1.516 121.348 119.950 -0.197 0.000 2.250 223 F HA -0.008 4.519 4.527 -0.000 0.000 0.301 223 F C 2.232 177.978 175.800 -0.090 0.000 1.077 223 F CA 0.609 58.504 58.000 -0.175 0.000 1.348 223 F CB -0.589 38.331 39.000 -0.133 0.000 1.040 223 F HN 0.125 nan 8.300 nan 0.000 0.509 224 D N -0.351 120.179 120.400 0.217 0.000 2.178 224 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 224 D C 2.291 178.526 176.300 -0.109 0.000 0.974 224 D CA 1.211 55.309 54.000 0.163 0.000 0.841 224 D CB -0.161 40.873 40.800 0.389 0.000 0.953 224 D HN 0.176 nan 8.370 nan 0.000 0.478 225 A N 0.006 122.757 122.820 -0.114 0.000 1.930 225 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 225 A C 2.297 179.668 177.584 -0.355 0.000 1.176 225 A CA 0.414 52.234 52.037 -0.362 0.000 0.632 225 A CB -0.472 18.529 19.000 0.002 0.000 0.819 225 A HN 0.190 nan 8.150 nan 0.000 0.445 226 I N -1.066 119.402 120.570 -0.170 0.000 2.226 226 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 226 I C 2.644 178.637 176.117 -0.207 0.000 1.100 226 I CA 1.883 63.090 61.300 -0.155 0.000 1.374 226 I CB -0.229 37.611 38.000 -0.265 0.000 1.057 226 I HN 0.419 nan 8.210 nan 0.000 0.413 227 M N 0.569 120.029 119.600 -0.235 0.000 2.067 227 M HA -0.232 4.248 4.480 -0.000 0.000 0.260 227 M C 2.280 178.427 176.300 -0.256 0.000 1.069 227 M CA 1.900 57.068 55.300 -0.219 0.000 1.117 227 M CB -0.492 32.001 32.600 -0.177 0.000 1.334 227 M HN 0.068 nan 8.290 nan 0.000 0.407 228 Q N -0.161 119.400 119.800 -0.399 0.000 2.124 228 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 228 Q C 2.185 177.996 176.000 -0.315 0.000 0.977 228 Q CA 1.880 57.432 55.803 -0.419 0.000 0.850 228 Q CB -0.952 27.401 28.738 -0.643 0.000 0.901 228 Q HN 0.703 nan 8.270 nan 0.000 0.429 229 A N 0.081 122.694 122.820 -0.345 0.000 2.014 229 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 229 A C 2.211 179.826 177.584 0.053 0.000 1.163 229 A CA 1.528 53.460 52.037 -0.176 0.000 0.652 229 A CB -0.355 18.633 19.000 -0.022 0.000 0.808 229 A HN 0.321 nan 8.150 nan 0.000 0.449 230 T N -0.624 113.914 114.554 -0.026 0.000 2.896 230 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 230 T C 1.666 176.310 174.700 -0.094 0.000 1.050 230 T CA 1.685 63.745 62.100 -0.066 0.000 1.140 230 T CB -0.133 68.642 68.868 -0.154 0.000 0.877 230 T HN 0.616 nan 8.240 nan 0.000 0.457 231 V N -1.783 118.073 119.914 -0.096 0.000 3.621 231 V HA 0.342 4.462 4.120 -0.000 0.000 0.285 231 V C 0.644 176.695 176.094 -0.073 0.000 1.346 231 V CA -0.483 61.760 62.300 -0.096 0.000 1.104 231 V CB -0.932 30.825 31.823 -0.110 0.000 0.913 231 V HN 0.310 nan 8.190 nan 0.000 0.432 232 c N 2.527 121.092 118.600 -0.058 0.000 2.478 232 c HA 0.391 4.961 4.570 -0.000 0.000 0.471 232 c C 1.584 175.641 174.090 -0.056 0.000 1.146 232 c CA -0.701 55.584 56.329 -0.073 0.000 1.532 232 c CB -1.545 40.905 42.510 -0.099 0.000 1.622 232 c HN 0.565 nan 8.230 nan 0.000 0.568 233 D N 1.604 122.006 120.400 0.003 0.000 2.177 233 D HA -0.187 4.453 4.640 -0.000 0.000 0.189 233 D C 1.836 178.125 176.300 -0.018 0.000 1.002 233 D CA 1.748 55.781 54.000 0.054 0.000 0.845 233 D CB 0.049 40.861 40.800 0.020 0.000 0.960 233 D HN 0.531 nan 8.370 nan 0.000 0.447 234 E N 0.633 120.811 120.200 -0.036 0.000 2.118 234 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 234 E C 2.049 178.598 176.600 -0.084 0.000 0.992 234 E CA 0.763 57.136 56.400 -0.044 0.000 0.804 234 E CB -0.124 29.560 29.700 -0.027 0.000 0.741 234 E HN 0.302 nan 8.360 nan 0.000 0.458 235 K N 0.456 120.776 120.400 -0.133 0.000 2.031 235 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 235 K C 2.167 178.521 176.600 -0.411 0.000 1.049 235 K CA 0.551 56.708 56.287 -0.217 0.000 0.939 235 K CB -0.271 32.087 32.500 -0.237 0.000 0.717 235 K HN 0.143 nan 8.250 nan 0.000 0.438 236 I N -0.124 120.140 120.570 -0.510 0.000 2.286 236 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 236 I C 1.353 177.175 176.117 -0.491 0.000 1.104 236 I CA 1.426 62.297 61.300 -0.715 0.000 1.397 236 I CB -1.260 36.105 38.000 -1.059 0.000 1.072 236 I HN 0.427 nan 8.210 nan 0.000 0.417 237 G N 0.146 108.748 108.800 -0.330 0.000 2.140 237 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.211 237 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.211 237 G C -0.297 174.552 174.900 -0.086 0.000 1.013 237 G CA -0.393 44.613 45.100 -0.157 0.000 0.705 237 G HN 0.296 nan 8.290 nan 0.000 0.508 238 W N 1.741 122.984 121.300 -0.096 0.000 2.264 238 W HA 0.460 5.120 4.660 -0.000 0.000 0.331 238 W C 1.413 177.931 176.519 -0.002 0.000 1.364 238 W CA -0.452 56.835 57.345 -0.096 0.000 1.253 238 W CB 0.512 29.735 29.460 -0.394 0.000 1.215 238 W HN 0.348 nan 8.180 nan 0.000 0.561 239 R N 2.637 123.365 120.500 0.380 0.000 2.312 239 R HA 0.300 4.640 4.340 -0.000 0.000 0.311 239 R C 0.337 176.827 176.300 0.316 0.000 1.004 239 R CA -0.759 55.495 56.100 0.257 0.000 0.902 239 R CB 0.680 31.083 30.300 0.172 0.000 1.073 239 R HN 0.460 nan 8.270 nan 0.000 0.457 240 N N 1.602 120.413 118.700 0.186 0.000 2.060 240 N HA -0.249 4.491 4.740 -0.000 0.000 0.195 240 N C 0.461 176.029 175.510 0.097 0.000 1.028 240 N CA 2.093 55.228 53.050 0.143 0.000 0.861 240 N CB -0.134 38.397 38.487 0.073 0.000 1.029 240 N HN 0.761 nan 8.380 nan 0.000 0.428 241 D N -0.266 120.170 120.400 0.060 0.000 2.870 241 D HA 0.289 4.929 4.640 -0.000 0.000 0.241 241 D C -0.410 175.873 176.300 -0.027 0.000 1.234 241 D CA -0.187 53.818 54.000 0.008 0.000 0.844 241 D CB -0.337 40.469 40.800 0.010 0.000 1.051 241 D HN 0.236 nan 8.370 nan 0.000 0.469 242 A N -0.515 122.248 122.820 -0.095 0.000 2.527 242 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 242 A C -0.553 176.706 177.584 -0.541 0.000 1.117 242 A CA -0.805 51.118 52.037 -0.190 0.000 0.723 242 A CB 1.670 20.651 19.000 -0.032 0.000 1.313 242 A HN 0.074 nan 8.150 nan 0.000 0.411 243 S N 0.726 116.209 115.700 -0.361 0.000 2.489 243 S HA 0.409 4.879 4.470 -0.000 0.000 0.277 243 S C -0.732 173.688 174.600 -0.302 0.000 1.230 243 S CA -0.049 57.929 58.200 -0.370 0.000 1.053 243 S CB -0.147 62.937 63.200 -0.194 0.000 0.955 243 S HN 0.611 nan 8.310 nan 0.000 0.488 244 H N 2.225 121.273 119.070 -0.036 0.000 2.519 244 H HA 0.498 5.054 4.556 -0.000 0.000 0.316 244 H C -0.478 174.844 175.328 -0.010 0.000 1.065 244 H CA -0.573 55.454 56.048 -0.035 0.000 1.264 244 H CB 0.618 30.052 29.762 -0.547 0.000 1.413 244 H HN 0.342 nan 8.280 nan 0.000 0.465 245 L N 4.008 125.430 121.223 0.332 0.000 2.334 245 L HA 0.427 4.767 4.340 -0.000 0.000 0.276 245 L C -0.640 176.486 176.870 0.426 0.000 1.014 245 L CA -0.739 54.255 54.840 0.257 0.000 0.815 245 L CB 2.058 44.240 42.059 0.205 0.000 1.268 245 L HN 0.492 nan 8.230 nan 0.000 0.428 246 L N 3.767 125.177 121.223 0.312 0.000 2.427 246 L HA 0.435 4.775 4.340 -0.000 0.000 0.264 246 L C -0.914 176.149 176.870 0.320 0.000 0.989 246 L CA -0.574 54.509 54.840 0.405 0.000 0.865 246 L CB 1.829 44.080 42.059 0.320 0.000 1.209 246 L HN 0.315 nan 8.230 nan 0.000 0.430 247 V N 4.219 124.367 119.914 0.390 0.000 2.432 247 V HA 0.230 4.350 4.120 -0.000 0.000 0.271 247 V C -0.298 176.084 176.094 0.480 0.000 1.046 247 V CA -0.233 62.308 62.300 0.401 0.000 0.945 247 V CB 1.216 33.293 31.823 0.423 0.000 0.992 247 V HN 0.452 nan 8.190 nan 0.000 0.471 248 F N 4.863 124.972 119.950 0.264 0.000 2.467 248 F HA 0.684 5.211 4.527 -0.000 0.000 0.336 248 F C 0.376 176.316 175.800 0.234 0.000 1.123 248 F CA -0.256 57.910 58.000 0.276 0.000 0.964 248 F CB 1.686 40.888 39.000 0.338 0.000 1.136 248 F HN 0.587 nan 8.300 nan 0.000 0.447 249 T N 2.215 116.547 114.554 -0.369 0.000 2.856 249 T HA 0.724 5.074 4.350 -0.000 0.000 0.283 249 T C -0.440 173.962 174.700 -0.496 0.000 1.008 249 T CA -0.784 61.117 62.100 -0.330 0.000 0.997 249 T CB 1.777 70.503 68.868 -0.238 0.000 0.992 249 T HN 0.755 nan 8.240 nan 0.000 0.454 250 T N 0.269 114.632 114.554 -0.317 0.000 2.786 250 T HA 0.412 4.762 4.350 -0.000 0.000 0.316 250 T C -1.234 173.404 174.700 -0.102 0.000 1.503 250 T CA -0.502 61.476 62.100 -0.203 0.000 1.019 250 T CB 1.719 70.508 68.868 -0.132 0.000 1.415 250 T HN 0.800 nan 8.240 nan 0.000 0.496 251 D N 0.372 120.751 120.400 -0.036 0.000 2.527 251 D HA 0.485 5.125 4.640 -0.000 0.000 0.224 251 D C 0.289 176.621 176.300 0.054 0.000 1.217 251 D CA -0.105 53.898 54.000 0.006 0.000 0.819 251 D CB 0.602 41.397 40.800 -0.008 0.000 1.061 251 D HN 0.646 nan 8.370 nan 0.000 0.515 252 A N 0.501 123.373 122.820 0.087 0.000 2.524 252 A HA 0.566 4.886 4.320 -0.000 0.000 0.289 252 A C -0.011 177.679 177.584 0.177 0.000 1.248 252 A CA -0.852 51.245 52.037 0.101 0.000 0.712 252 A CB 1.553 20.581 19.000 0.048 0.000 1.312 252 A HN 0.067 nan 8.150 nan 0.000 0.441 253 K N -0.682 119.762 120.400 0.073 0.000 2.284 253 K HA 0.499 4.819 4.320 -0.000 0.000 0.243 253 K C -0.165 176.400 176.600 -0.059 0.000 1.075 253 K CA 0.238 56.529 56.287 0.007 0.000 0.868 253 K CB 0.053 32.502 32.500 -0.084 0.000 1.157 253 K HN 0.634 nan 8.250 nan 0.000 0.512 254 T N -1.018 113.392 114.554 -0.239 0.000 2.883 254 T HA 0.204 4.554 4.350 -0.000 0.000 0.301 254 T C -1.252 173.078 174.700 -0.617 0.000 1.158 254 T CA -0.782 61.044 62.100 -0.456 0.000 1.007 254 T CB 0.963 69.423 68.868 -0.680 0.000 1.186 254 T HN 0.515 nan 8.240 nan 0.000 0.499 255 H N 2.391 121.082 119.070 -0.633 0.000 2.551 255 H HA 0.596 5.152 4.556 -0.000 0.000 0.358 255 H C 0.398 175.297 175.328 -0.715 0.000 1.151 255 H CA -0.078 55.505 56.048 -0.776 0.000 1.374 255 H CB 0.758 29.619 29.762 -1.502 0.000 1.473 255 H HN 0.642 nan 8.280 nan 0.000 0.574 256 I N -1.363 119.055 120.570 -0.253 0.000 3.145 256 I HA 0.647 4.817 4.170 -0.000 0.000 0.313 256 I C 0.007 176.203 176.117 0.132 0.000 1.122 256 I CA -1.665 59.615 61.300 -0.032 0.000 0.987 256 I CB 1.571 39.570 38.000 -0.001 0.000 1.236 256 I HN 0.464 nan 8.210 nan 0.000 0.453 257 A N 2.647 125.581 122.820 0.190 0.000 2.561 257 A HA 0.388 4.708 4.320 -0.000 0.000 0.234 257 A C 0.781 178.459 177.584 0.156 0.000 1.055 257 A CA 0.400 52.554 52.037 0.196 0.000 0.756 257 A CB -0.314 18.769 19.000 0.139 0.000 0.986 257 A HN 1.067 nan 8.150 nan 0.000 0.505 258 L N -0.079 121.239 121.223 0.158 0.000 4.126 258 L HA -0.219 4.121 4.340 -0.000 0.000 0.410 258 L C 0.639 177.592 176.870 0.139 0.000 0.804 258 L CA 0.898 55.810 54.840 0.119 0.000 2.157 258 L CB -1.471 40.641 42.059 0.087 0.000 1.460 258 L HN 0.732 nan 8.230 nan 0.000 0.573 259 D N 0.374 120.899 120.400 0.207 0.000 2.249 259 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 259 D C 1.949 178.397 176.300 0.247 0.000 0.962 259 D CA 1.328 55.453 54.000 0.209 0.000 0.860 259 D CB -0.010 40.889 40.800 0.165 0.000 0.955 259 D HN 0.476 nan 8.370 nan 0.000 0.505 260 G N 0.499 109.450 108.800 0.252 0.000 2.498 260 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 260 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 260 G C 1.640 176.581 174.900 0.069 0.000 1.119 260 G CA 0.297 45.467 45.100 0.116 0.000 0.766 260 G HN 0.210 nan 8.290 nan 0.000 0.552 261 R N -0.653 119.887 120.500 0.066 0.000 2.127 261 R HA -0.001 4.339 4.340 -0.000 0.000 0.238 261 R C 2.186 178.491 176.300 0.008 0.000 1.134 261 R CA 0.741 56.858 56.100 0.029 0.000 0.975 261 R CB -0.296 30.024 30.300 0.033 0.000 0.865 261 R HN 0.328 nan 8.270 nan 0.000 0.447 262 L N -0.152 121.086 121.223 0.026 0.000 2.349 262 L HA -0.113 4.227 4.340 -0.000 0.000 0.220 262 L C 1.529 178.314 176.870 -0.143 0.000 1.130 262 L CA 1.609 56.425 54.840 -0.039 0.000 0.791 262 L CB -0.103 41.948 42.059 -0.014 0.000 0.918 262 L HN 0.221 nan 8.230 nan 0.000 0.444 263 A N -1.721 121.032 122.820 -0.112 0.000 2.594 263 A HA 0.547 4.867 4.320 -0.000 0.000 0.287 263 A C 1.494 179.028 177.584 -0.082 0.000 1.227 263 A CA 0.326 52.267 52.037 -0.160 0.000 0.952 263 A CB -0.350 18.566 19.000 -0.141 0.000 1.161 263 A HN 0.368 nan 8.150 nan 0.000 0.524 264 G N -0.014 108.751 108.800 -0.058 0.000 2.168 264 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 264 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 264 G C 0.035 174.913 174.900 -0.037 0.000 0.997 264 G CA 0.573 45.647 45.100 -0.043 0.000 0.708 264 G HN 0.585 nan 8.290 nan 0.000 0.520 265 I N 0.856 121.405 120.570 -0.035 0.000 2.312 265 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 265 I C 1.350 177.450 176.117 -0.027 0.000 1.008 265 I CA -0.564 60.709 61.300 -0.045 0.000 1.226 265 I CB 1.546 39.501 38.000 -0.076 0.000 1.371 265 I HN 0.087 nan 8.210 nan 0.000 0.468 266 V N 1.563 121.463 119.914 -0.023 0.000 3.432 266 V HA 0.184 4.304 4.120 -0.000 0.000 0.298 266 V C 0.621 176.711 176.094 -0.006 0.000 1.464 266 V CA -0.262 62.034 62.300 -0.007 0.000 1.046 266 V CB -0.060 31.762 31.823 -0.003 0.000 0.887 266 V HN 0.805 nan 8.190 nan 0.000 0.441 267 Q N 3.663 123.453 119.800 -0.018 0.000 2.286 267 Q HA 0.278 4.618 4.340 -0.000 0.000 0.265 267 Q C -2.229 173.769 176.000 -0.002 0.000 1.080 267 Q CA -1.907 53.888 55.803 -0.012 0.000 0.906 267 Q CB 1.141 29.864 28.738 -0.025 0.000 1.227 267 Q HN 0.399 nan 8.270 nan 0.000 0.409 268 P HA -0.130 nan 4.420 nan 0.000 0.267 268 P C -0.517 176.804 177.300 0.034 0.000 1.200 268 P CA 0.094 63.211 63.100 0.028 0.000 0.772 268 P CB 0.475 32.193 31.700 0.029 0.000 0.855 269 N N 2.460 121.190 118.700 0.050 0.000 2.411 269 N HA -0.084 4.656 4.740 -0.000 0.000 0.265 269 N C 0.882 176.434 175.510 0.069 0.000 1.266 269 N CA 0.108 53.199 53.050 0.070 0.000 0.889 269 N CB 0.444 38.981 38.487 0.084 0.000 1.069 269 N HN 0.402 nan 8.380 nan 0.000 0.476 270 D N 2.943 123.401 120.400 0.098 0.000 2.363 270 D HA 0.007 4.647 4.640 -0.000 0.000 0.220 270 D C 1.211 177.554 176.300 0.073 0.000 0.994 270 D CA 0.801 54.858 54.000 0.094 0.000 0.890 270 D CB -0.310 40.572 40.800 0.136 0.000 0.906 270 D HN 0.750 nan 8.370 nan 0.000 0.530 271 G N -0.103 108.739 108.800 0.070 0.000 2.189 271 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 271 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 271 G C 0.164 175.061 174.900 -0.005 0.000 0.975 271 G CA 0.558 45.668 45.100 0.017 0.000 0.644 271 G HN 0.517 nan 8.290 nan 0.000 0.537 272 Q N -1.039 118.773 119.800 0.021 0.000 2.180 272 Q HA 0.550 4.890 4.340 -0.000 0.000 0.241 272 Q C 0.530 176.413 176.000 -0.196 0.000 0.970 272 Q CA -0.406 55.339 55.803 -0.098 0.000 0.919 272 Q CB 1.790 30.445 28.738 -0.139 0.000 1.222 272 Q HN 0.422 nan 8.270 nan 0.000 0.482 273 c N 1.493 119.933 118.600 -0.266 0.000 2.527 273 c HA 0.196 4.766 4.570 -0.000 0.000 0.396 273 c C 0.093 173.960 174.090 -0.371 0.000 1.289 273 c CA -0.070 56.128 56.329 -0.217 0.000 2.047 273 c CB -0.676 41.757 42.510 -0.129 0.000 2.568 273 c HN 0.771 nan 8.230 nan 0.000 0.573 274 H N 3.711 122.864 119.070 0.138 0.000 2.750 274 H HA 0.237 4.793 4.556 -0.000 0.000 0.239 274 H C -0.694 174.807 175.328 0.288 0.000 1.210 274 H CA 0.002 56.193 56.048 0.238 0.000 0.936 274 H CB 0.488 30.479 29.762 0.381 0.000 2.074 274 H HN 0.455 nan 8.280 nan 0.000 0.622 275 V N 1.453 121.526 119.914 0.265 0.000 2.294 275 V HA 0.422 4.542 4.120 -0.000 0.000 0.272 275 V C 1.008 177.191 176.094 0.148 0.000 1.027 275 V CA -0.492 61.955 62.300 0.246 0.000 0.823 275 V CB 1.165 33.122 31.823 0.224 0.000 1.030 275 V HN 0.470 nan 8.190 nan 0.000 0.457 276 G N 2.941 111.832 108.800 0.151 0.000 2.574 276 G HA2 0.324 4.284 3.960 -0.000 0.000 0.248 276 G HA3 0.324 4.284 3.960 -0.000 0.000 0.248 276 G C 1.330 176.280 174.900 0.084 0.000 1.422 276 G CA 0.400 45.562 45.100 0.102 0.000 1.051 276 G HN 0.729 nan 8.290 nan 0.000 0.560 277 S N 0.224 115.964 115.700 0.067 0.000 2.387 277 S HA -0.228 4.242 4.470 -0.000 0.000 0.230 277 S C 1.670 176.304 174.600 0.057 0.000 1.035 277 S CA 2.204 60.435 58.200 0.052 0.000 1.014 277 S CB -0.486 62.739 63.200 0.042 0.000 0.836 277 S HN 0.680 nan 8.310 nan 0.000 0.466 278 D N 1.185 121.636 120.400 0.086 0.000 2.371 278 D HA -0.068 4.572 4.640 -0.000 0.000 0.221 278 D C 0.338 176.697 176.300 0.099 0.000 0.986 278 D CA 0.606 54.680 54.000 0.123 0.000 0.899 278 D CB -0.858 40.049 40.800 0.178 0.000 0.902 278 D HN 0.363 nan 8.370 nan 0.000 0.530 279 N N -0.595 118.132 118.700 0.045 0.000 2.863 279 N HA -0.189 4.551 4.740 -0.000 0.000 0.245 279 N C -0.937 174.470 175.510 -0.172 0.000 1.001 279 N CA 0.821 53.838 53.050 -0.056 0.000 0.901 279 N CB -1.879 36.498 38.487 -0.184 0.000 1.124 279 N HN 0.552 nan 8.380 nan 0.000 0.582 280 H N -0.946 118.146 119.070 0.038 0.000 2.479 280 H HA 0.349 4.905 4.556 -0.000 0.000 0.335 280 H C -0.105 175.371 175.328 0.246 0.000 1.142 280 H CA -0.564 55.536 56.048 0.086 0.000 1.234 280 H CB 0.621 30.429 29.762 0.077 0.000 1.503 280 H HN 0.048 nan 8.280 nan 0.000 0.510 281 Y N 2.443 122.940 120.300 0.327 0.000 2.531 281 Y HA 0.031 4.581 4.550 -0.000 0.000 0.347 281 Y C 1.089 177.133 175.900 0.241 0.000 1.024 281 Y CA -0.828 57.477 58.100 0.341 0.000 1.306 281 Y CB 0.224 38.949 38.460 0.441 0.000 1.149 281 Y HN 0.733 nan 8.280 nan 0.000 0.527 282 S N 3.756 119.575 115.700 0.199 0.000 2.414 282 S HA -0.019 4.451 4.470 -0.000 0.000 0.227 282 S C 1.703 176.144 174.600 -0.265 0.000 1.022 282 S CA 0.469 58.659 58.200 -0.015 0.000 0.958 282 S CB -0.306 62.941 63.200 0.078 0.000 0.797 282 S HN 0.698 nan 8.310 nan 0.000 0.493 283 A N 1.200 123.709 122.820 -0.519 0.000 2.302 283 A HA 0.408 4.728 4.320 -0.000 0.000 0.219 283 A C 1.956 179.100 177.584 -0.734 0.000 1.243 283 A CA 0.614 52.306 52.037 -0.575 0.000 0.856 283 A CB -0.858 17.783 19.000 -0.599 0.000 0.893 283 A HN 0.487 nan 8.150 nan 0.000 0.491 284 S N 0.283 115.385 115.700 -0.997 0.000 2.419 284 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 284 S C 1.842 176.270 174.600 -0.287 0.000 1.019 284 S CA 2.224 60.040 58.200 -0.640 0.000 0.982 284 S CB -0.295 62.710 63.200 -0.324 0.000 0.789 284 S HN 0.816 nan 8.310 nan 0.000 0.490 285 T N -2.347 112.067 114.554 -0.233 0.000 3.085 285 T HA 0.227 4.577 4.350 -0.000 0.000 0.264 285 T C 0.981 175.599 174.700 -0.138 0.000 1.019 285 T CA 0.577 62.595 62.100 -0.136 0.000 0.910 285 T CB 0.381 69.199 68.868 -0.083 0.000 1.059 285 T HN 0.398 nan 8.240 nan 0.000 0.542 286 T N -1.539 112.906 114.554 -0.181 0.000 3.087 286 T HA 0.508 4.858 4.350 -0.000 0.000 0.283 286 T C -0.125 174.489 174.700 -0.142 0.000 0.956 286 T CA -0.578 61.435 62.100 -0.144 0.000 0.894 286 T CB 0.012 68.797 68.868 -0.139 0.000 1.160 286 T HN 0.358 nan 8.240 nan 0.000 0.532 287 M N 1.929 121.427 119.600 -0.169 0.000 2.386 287 M HA 0.483 4.963 4.480 -0.000 0.000 0.293 287 M C -1.646 174.571 176.300 -0.139 0.000 1.120 287 M CA -0.644 54.584 55.300 -0.119 0.000 0.909 287 M CB 2.287 34.831 32.600 -0.094 0.000 1.661 287 M HN -0.049 nan 8.290 nan 0.000 0.452 288 D N 1.731 122.074 120.400 -0.094 0.000 2.363 288 D HA 0.128 4.768 4.640 -0.000 0.000 0.240 288 D C -1.104 175.147 176.300 -0.082 0.000 1.236 288 D CA 0.549 54.477 54.000 -0.121 0.000 0.927 288 D CB 0.554 41.351 40.800 -0.006 0.000 1.150 288 D HN 0.371 nan 8.370 nan 0.000 0.458 289 Y N 0.514 120.854 120.300 0.067 0.000 2.379 289 Y HA 0.217 4.767 4.550 -0.000 0.000 0.337 289 Y C -1.306 174.650 175.900 0.094 0.000 1.238 289 Y CA -1.320 56.838 58.100 0.096 0.000 1.405 289 Y CB -0.060 38.453 38.460 0.088 0.000 1.310 289 Y HN 0.229 nan 8.280 nan 0.000 0.569 290 P HA 0.114 nan 4.420 nan 0.000 0.277 290 P C -0.984 176.398 177.300 0.138 0.000 1.240 290 P CA -0.552 62.633 63.100 0.142 0.000 0.798 290 P CB 1.265 33.004 31.700 0.064 0.000 0.979 291 S N 1.619 117.365 115.700 0.077 0.000 2.601 291 S HA 0.222 4.692 4.470 -0.000 0.000 0.271 291 S C 1.729 176.333 174.600 0.007 0.000 1.305 291 S CA -0.843 57.396 58.200 0.065 0.000 1.022 291 S CB 0.267 63.497 63.200 0.049 0.000 0.940 291 S HN 0.350 nan 8.310 nan 0.000 0.525 292 L N 1.701 122.933 121.223 0.015 0.000 2.021 292 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 292 L C 2.846 179.681 176.870 -0.059 0.000 1.074 292 L CA 1.836 56.648 54.840 -0.047 0.000 0.760 292 L CB -1.539 40.535 42.059 0.025 0.000 0.889 292 L HN 0.990 nan 8.230 nan 0.000 0.433 293 G N 0.061 108.849 108.800 -0.020 0.000 2.491 293 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 293 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 293 G C 1.588 176.461 174.900 -0.045 0.000 1.180 293 G CA 0.561 45.645 45.100 -0.026 0.000 0.774 293 G HN 0.229 nan 8.290 nan 0.000 0.562 294 L N 0.057 121.256 121.223 -0.039 0.000 2.042 294 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 294 L C 2.876 179.694 176.870 -0.087 0.000 1.076 294 L CA 1.761 56.573 54.840 -0.047 0.000 0.749 294 L CB -0.463 41.581 42.059 -0.024 0.000 0.893 294 L HN 0.319 nan 8.230 nan 0.000 0.432 295 M N -1.144 118.381 119.600 -0.126 0.000 2.086 295 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 295 M C 2.080 178.279 176.300 -0.168 0.000 1.067 295 M CA 2.168 57.355 55.300 -0.189 0.000 1.116 295 M CB -0.608 31.803 32.600 -0.314 0.000 1.348 295 M HN 0.216 nan 8.290 nan 0.000 0.407 296 T N 0.054 114.526 114.554 -0.137 0.000 2.665 296 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 296 T C 1.603 176.242 174.700 -0.101 0.000 1.035 296 T CA 1.901 63.935 62.100 -0.111 0.000 1.151 296 T CB -0.404 68.419 68.868 -0.074 0.000 0.862 296 T HN 0.505 nan 8.240 nan 0.000 0.438 297 E N 0.686 120.834 120.200 -0.086 0.000 2.038 297 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 297 E C 2.098 178.641 176.600 -0.095 0.000 1.000 297 E CA 1.120 57.473 56.400 -0.077 0.000 0.803 297 E CB 0.060 29.723 29.700 -0.060 0.000 0.750 297 E HN 0.183 nan 8.360 nan 0.000 0.448 298 K N 0.400 120.734 120.400 -0.109 0.000 2.148 298 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 298 K C 2.295 178.800 176.600 -0.158 0.000 1.050 298 K CA 0.623 56.834 56.287 -0.127 0.000 0.942 298 K CB -0.375 32.048 32.500 -0.130 0.000 0.724 298 K HN 0.306 nan 8.250 nan 0.000 0.446 299 L N 0.642 121.766 121.223 -0.165 0.000 2.083 299 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 299 L C 2.624 179.393 176.870 -0.168 0.000 1.083 299 L CA 1.042 55.770 54.840 -0.186 0.000 0.752 299 L CB -0.334 41.614 42.059 -0.185 0.000 0.899 299 L HN 0.155 nan 8.230 nan 0.000 0.433 300 S N -0.785 114.835 115.700 -0.134 0.000 2.362 300 S HA -0.228 4.242 4.470 -0.000 0.000 0.221 300 S C 1.938 176.471 174.600 -0.112 0.000 1.032 300 S CA 1.137 59.269 58.200 -0.112 0.000 0.973 300 S CB -0.079 63.068 63.200 -0.088 0.000 0.849 300 S HN 0.430 nan 8.310 nan 0.000 0.465 301 Q N -0.063 119.671 119.800 -0.110 0.000 2.234 301 Q HA -0.101 4.239 4.340 -0.000 0.000 0.206 301 Q C 1.018 176.942 176.000 -0.126 0.000 0.980 301 Q CA 1.171 56.913 55.803 -0.103 0.000 0.869 301 Q CB 0.053 28.735 28.738 -0.093 0.000 0.912 301 Q HN 0.287 nan 8.270 nan 0.000 0.436 302 K N 0.195 120.490 120.400 -0.175 0.000 2.358 302 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 302 K C -0.320 176.122 176.600 -0.263 0.000 1.030 302 K CA -0.081 56.060 56.287 -0.243 0.000 1.097 302 K CB 0.322 32.623 32.500 -0.331 0.000 0.862 302 K HN 0.203 nan 8.250 nan 0.000 0.534 303 N N 1.458 120.050 118.700 -0.180 0.000 2.642 303 N HA -0.183 4.557 4.740 -0.000 0.000 0.269 303 N C -1.370 174.053 175.510 -0.145 0.000 1.073 303 N CA 0.540 53.514 53.050 -0.126 0.000 0.748 303 N CB -0.945 37.506 38.487 -0.059 0.000 0.894 303 N HN 0.265 nan 8.380 nan 0.000 0.548 304 I N 0.251 120.677 120.570 -0.240 0.000 2.498 304 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 304 I C -0.296 175.709 176.117 -0.187 0.000 1.032 304 I CA -0.882 60.236 61.300 -0.304 0.000 1.073 304 I CB 1.857 39.568 38.000 -0.482 0.000 1.251 304 I HN 0.130 nan 8.210 nan 0.000 0.426 305 N N 5.597 124.223 118.700 -0.123 0.000 2.437 305 N HA 0.345 5.085 4.740 -0.000 0.000 0.259 305 N C -0.937 174.525 175.510 -0.081 0.000 0.983 305 N CA -0.514 52.480 53.050 -0.092 0.000 0.937 305 N CB 2.162 40.616 38.487 -0.055 0.000 1.122 305 N HN 0.349 nan 8.380 nan 0.000 0.499 306 L N 3.964 125.094 121.223 -0.154 0.000 2.305 306 L HA 0.518 4.858 4.340 -0.000 0.000 0.281 306 L C -0.567 176.147 176.870 -0.260 0.000 1.085 306 L CA -0.124 54.579 54.840 -0.229 0.000 0.813 306 L CB 0.439 42.254 42.059 -0.406 0.000 1.157 306 L HN 0.421 nan 8.230 nan 0.000 0.436 307 I N 5.292 125.768 120.570 -0.156 0.000 2.418 307 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 307 I C -1.072 175.071 176.117 0.044 0.000 1.008 307 I CA -0.476 60.788 61.300 -0.060 0.000 1.104 307 I CB 1.373 39.415 38.000 0.069 0.000 1.264 307 I HN 0.365 nan 8.210 nan 0.000 0.438 308 F N 5.066 125.129 119.950 0.188 0.000 2.390 308 F HA 0.439 4.966 4.527 -0.000 0.000 0.361 308 F C 0.739 176.637 175.800 0.163 0.000 1.124 308 F CA -0.872 57.260 58.000 0.220 0.000 1.149 308 F CB 1.144 40.272 39.000 0.212 0.000 1.160 308 F HN 0.419 nan 8.300 nan 0.000 0.501 309 A N 4.907 127.939 122.820 0.354 0.000 2.690 309 A HA 0.644 4.964 4.320 -0.000 0.000 0.342 309 A C -0.519 177.125 177.584 0.100 0.000 1.410 309 A CA -0.500 51.660 52.037 0.204 0.000 0.958 309 A CB -0.169 18.953 19.000 0.202 0.000 1.153 309 A HN 0.621 nan 8.150 nan 0.000 0.497 310 V N 0.488 120.444 119.914 0.069 0.000 2.919 310 V HA 0.888 5.008 4.120 -0.000 0.000 0.316 310 V C 0.246 176.366 176.094 0.045 0.000 1.077 310 V CA -0.174 62.118 62.300 -0.013 0.000 0.977 310 V CB 1.303 33.045 31.823 -0.135 0.000 1.039 310 V HN 0.853 nan 8.190 nan 0.000 0.441 311 T N -0.819 113.757 114.554 0.037 0.000 2.868 311 T HA 0.270 4.620 4.350 -0.000 0.000 0.292 311 T C 0.934 175.677 174.700 0.072 0.000 1.028 311 T CA 0.741 62.873 62.100 0.054 0.000 1.059 311 T CB 1.166 70.059 68.868 0.040 0.000 0.991 311 T HN 1.089 nan 8.240 nan 0.000 0.531 312 E N 2.222 122.460 120.200 0.064 0.000 2.095 312 E HA -0.357 3.993 4.350 -0.000 0.000 0.212 312 E C 1.972 178.609 176.600 0.062 0.000 1.044 312 E CA 2.570 59.007 56.400 0.062 0.000 0.857 312 E CB -0.633 29.096 29.700 0.048 0.000 0.764 312 E HN 0.844 nan 8.360 nan 0.000 0.462 313 N N 0.029 118.761 118.700 0.054 0.000 2.417 313 N HA -0.158 4.582 4.740 -0.000 0.000 0.187 313 N C 1.449 176.995 175.510 0.060 0.000 1.027 313 N CA 1.529 54.608 53.050 0.048 0.000 0.891 313 N CB -0.137 38.375 38.487 0.041 0.000 0.956 313 N HN 0.261 nan 8.380 nan 0.000 0.442 314 V N 0.031 120.005 119.914 0.099 0.000 3.330 314 V HA 0.120 4.240 4.120 -0.000 0.000 0.309 314 V C 1.741 177.963 176.094 0.213 0.000 1.481 314 V CA -0.079 62.310 62.300 0.148 0.000 1.068 314 V CB 0.452 32.410 31.823 0.224 0.000 0.935 314 V HN -0.012 nan 8.190 nan 0.000 0.453 315 V N 1.248 121.257 119.914 0.158 0.000 2.287 315 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 315 V C 2.351 178.518 176.094 0.122 0.000 1.053 315 V CA 2.565 64.964 62.300 0.166 0.000 1.027 315 V CB -0.622 31.272 31.823 0.118 0.000 0.646 315 V HN 0.644 nan 8.190 nan 0.000 0.447 316 N N 0.036 118.769 118.700 0.054 0.000 2.205 316 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 316 N C 1.651 177.117 175.510 -0.073 0.000 1.015 316 N CA 1.377 54.428 53.050 0.002 0.000 0.862 316 N CB -0.501 37.976 38.487 -0.016 0.000 0.986 316 N HN 0.435 nan 8.380 nan 0.000 0.429 317 L N 0.133 121.284 121.223 -0.119 0.000 1.994 317 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 317 L C 1.750 178.339 176.870 -0.469 0.000 1.071 317 L CA 1.618 56.242 54.840 -0.360 0.000 0.745 317 L CB -0.873 40.950 42.059 -0.394 0.000 0.892 317 L HN 0.047 nan 8.230 nan 0.000 0.431 318 Y N -0.226 120.037 120.300 -0.062 0.000 2.352 318 Y HA -0.156 4.394 4.550 -0.000 0.000 0.292 318 Y C 2.686 178.636 175.900 0.084 0.000 1.136 318 Y CA 1.353 59.435 58.100 -0.031 0.000 1.227 318 Y CB -0.417 37.937 38.460 -0.177 0.000 0.991 318 Y HN 0.374 nan 8.280 nan 0.000 0.545 319 Q N -0.160 119.738 119.800 0.163 0.000 2.079 319 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 319 Q C 1.796 177.852 176.000 0.093 0.000 0.974 319 Q CA 1.385 57.281 55.803 0.154 0.000 0.840 319 Q CB -0.136 28.659 28.738 0.096 0.000 0.898 319 Q HN 0.450 nan 8.270 nan 0.000 0.430 320 N N -0.348 118.330 118.700 -0.035 0.000 2.166 320 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 320 N C 1.317 176.806 175.510 -0.036 0.000 1.019 320 N CA 1.150 54.141 53.050 -0.098 0.000 0.856 320 N CB -0.231 38.110 38.487 -0.242 0.000 0.993 320 N HN 0.292 nan 8.380 nan 0.000 0.426 321 Y N 0.615 120.927 120.300 0.021 0.000 2.373 321 Y HA 0.076 4.626 4.550 -0.000 0.000 0.293 321 Y C 2.625 178.643 175.900 0.197 0.000 1.129 321 Y CA 0.244 58.393 58.100 0.083 0.000 1.226 321 Y CB -0.621 37.872 38.460 0.055 0.000 1.000 321 Y HN 0.000 nan 8.280 nan 0.000 0.549 322 S N -0.156 115.792 115.700 0.412 0.000 2.382 322 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 322 S C 1.728 176.442 174.600 0.190 0.000 1.027 322 S CA 1.279 59.691 58.200 0.354 0.000 0.991 322 S CB -0.180 63.226 63.200 0.342 0.000 0.823 322 S HN 0.541 nan 8.310 nan 0.000 0.469 323 E N 0.131 120.419 120.200 0.146 0.000 2.478 323 E HA 0.034 4.384 4.350 -0.000 0.000 0.198 323 E C 1.285 177.934 176.600 0.081 0.000 1.046 323 E CA 0.442 56.896 56.400 0.089 0.000 0.870 323 E CB 0.023 29.759 29.700 0.061 0.000 0.818 323 E HN 0.481 nan 8.360 nan 0.000 0.527 324 L N 0.218 121.511 121.223 0.116 0.000 2.616 324 L HA 0.237 4.577 4.340 -0.000 0.000 0.229 324 L C 0.534 177.447 176.870 0.071 0.000 1.110 324 L CA 0.105 55.004 54.840 0.097 0.000 0.884 324 L CB 0.597 42.738 42.059 0.136 0.000 1.115 324 L HN 0.027 nan 8.230 nan 0.000 0.481 325 I N 0.731 121.347 120.570 0.076 0.000 2.595 325 I HA 0.282 4.452 4.170 -0.000 0.000 0.275 325 I C -2.454 173.668 176.117 0.008 0.000 1.092 325 I CA -1.771 59.539 61.300 0.018 0.000 1.145 325 I CB 1.319 39.315 38.000 -0.006 0.000 1.276 325 I HN -0.244 nan 8.210 nan 0.000 0.497 326 P HA 0.085 nan 4.420 nan 0.000 0.265 326 P C 0.956 178.239 177.300 -0.029 0.000 1.193 326 P CA 0.757 63.853 63.100 -0.007 0.000 0.765 326 P CB 0.649 32.343 31.700 -0.010 0.000 0.823 327 G N 1.247 110.034 108.800 -0.022 0.000 2.141 327 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.242 327 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.242 327 G C 0.145 175.013 174.900 -0.053 0.000 0.982 327 G CA 0.168 45.246 45.100 -0.038 0.000 0.662 327 G HN 0.800 nan 8.290 nan 0.000 0.527 328 T N -0.841 113.684 114.554 -0.047 0.000 2.859 328 T HA 0.765 5.115 4.350 -0.000 0.000 0.281 328 T C 0.079 174.772 174.700 -0.013 0.000 1.005 328 T CA 0.354 62.397 62.100 -0.094 0.000 1.025 328 T CB 2.334 71.091 68.868 -0.185 0.000 0.977 328 T HN 1.054 nan 8.240 nan 0.000 0.458 329 T N -0.481 114.064 114.554 -0.015 0.000 2.912 329 T HA 0.717 5.067 4.350 -0.000 0.000 0.288 329 T C -0.609 174.188 174.700 0.161 0.000 1.030 329 T CA -0.851 61.294 62.100 0.074 0.000 1.020 329 T CB 1.513 70.417 68.868 0.059 0.000 1.056 329 T HN 0.627 nan 8.240 nan 0.000 0.480 330 V N 1.032 121.076 119.914 0.217 0.000 2.531 330 V HA 0.806 4.926 4.120 -0.000 0.000 0.301 330 V C 0.441 176.658 176.094 0.204 0.000 1.034 330 V CA -0.608 61.871 62.300 0.297 0.000 0.865 330 V CB 1.556 33.591 31.823 0.354 0.000 0.995 330 V HN 1.311 nan 8.190 nan 0.000 0.424 331 G N 2.189 111.108 108.800 0.199 0.000 2.542 331 G HA2 0.562 4.522 3.960 -0.000 0.000 0.311 331 G HA3 0.562 4.522 3.960 -0.000 0.000 0.311 331 G C -1.150 173.832 174.900 0.136 0.000 1.298 331 G CA -0.750 44.437 45.100 0.145 0.000 0.973 331 G HN 0.616 nan 8.290 nan 0.000 0.487 332 V N 3.207 123.187 119.914 0.109 0.000 2.508 332 V HA 0.433 4.553 4.120 -0.000 0.000 0.281 332 V C 0.140 176.285 176.094 0.086 0.000 1.041 332 V CA -0.548 61.810 62.300 0.095 0.000 1.016 332 V CB 0.708 32.580 31.823 0.082 0.000 0.984 332 V HN 0.685 nan 8.190 nan 0.000 0.478 333 L N 7.807 129.078 121.223 0.081 0.000 2.350 333 L HA 0.799 5.139 4.340 -0.000 0.000 0.275 333 L C 0.090 177.004 176.870 0.073 0.000 1.099 333 L CA 1.484 56.369 54.840 0.074 0.000 0.808 333 L CB 1.421 43.517 42.059 0.062 0.000 1.149 333 L HN 1.060 nan 8.230 nan 0.000 0.442 334 S N 3.141 118.891 115.700 0.084 0.000 2.654 334 S HA 0.236 4.706 4.470 -0.000 0.000 0.267 334 S C 0.488 175.183 174.600 0.159 0.000 1.151 334 S CA -0.366 57.899 58.200 0.109 0.000 0.873 334 S CB 0.120 63.374 63.200 0.090 0.000 1.181 334 S HN 0.633 nan 8.310 nan 0.000 0.489 335 M N 0.961 120.698 119.600 0.230 0.000 2.358 335 M HA 0.059 4.539 4.480 -0.000 0.000 0.264 335 M C 0.354 176.807 176.300 0.255 0.000 1.064 335 M CA 1.371 56.917 55.300 0.410 0.000 1.093 335 M CB -0.563 32.224 32.600 0.313 0.000 1.401 335 M HN 0.641 nan 8.290 nan 0.000 0.440 336 D N 0.580 121.068 120.400 0.147 0.000 2.456 336 D HA 0.106 4.746 4.640 -0.000 0.000 0.219 336 D C 0.471 176.815 176.300 0.074 0.000 1.126 336 D CA -0.124 53.935 54.000 0.099 0.000 0.890 336 D CB 0.762 41.606 40.800 0.074 0.000 1.025 336 D HN 0.131 nan 8.370 nan 0.000 0.511 337 S N 1.216 116.950 115.700 0.056 0.000 2.701 337 S HA -0.016 4.454 4.470 -0.000 0.000 0.220 337 S C 1.665 176.283 174.600 0.029 0.000 0.954 337 S CA -0.296 57.923 58.200 0.032 0.000 0.936 337 S CB 0.080 63.277 63.200 -0.005 0.000 0.777 337 S HN 0.247 nan 8.310 nan 0.000 0.518 338 S N 3.314 119.036 115.700 0.036 0.000 2.359 338 S HA -0.199 4.271 4.470 -0.000 0.000 0.222 338 S C 1.929 176.551 174.600 0.037 0.000 1.038 338 S CA 1.456 59.675 58.200 0.032 0.000 1.051 338 S CB -0.743 62.478 63.200 0.035 0.000 0.944 338 S HN 0.718 nan 8.310 nan 0.000 0.433 339 N N 0.740 119.468 118.700 0.046 0.000 2.037 339 N HA -0.143 4.597 4.740 -0.000 0.000 0.196 339 N C 1.743 177.289 175.510 0.060 0.000 1.034 339 N CA 1.784 54.867 53.050 0.055 0.000 0.861 339 N CB -0.233 38.292 38.487 0.063 0.000 1.039 339 N HN 0.212 nan 8.380 nan 0.000 0.427 340 V N 1.402 121.353 119.914 0.062 0.000 2.379 340 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 340 V C 2.384 178.507 176.094 0.049 0.000 1.044 340 V CA 0.897 63.238 62.300 0.069 0.000 1.036 340 V CB -0.394 31.475 31.823 0.077 0.000 0.664 340 V HN 0.231 nan 8.190 nan 0.000 0.453 341 L N -0.213 121.027 121.223 0.028 0.000 2.042 341 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 341 L C 2.541 179.424 176.870 0.023 0.000 1.076 341 L CA 1.765 56.612 54.840 0.012 0.000 0.749 341 L CB -1.269 40.789 42.059 -0.001 0.000 0.893 341 L HN 0.316 nan 8.230 nan 0.000 0.432 342 Q N -0.462 119.357 119.800 0.032 0.000 2.096 342 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 342 Q C 2.352 178.380 176.000 0.046 0.000 0.982 342 Q CA 1.565 57.390 55.803 0.037 0.000 0.850 342 Q CB -0.387 28.374 28.738 0.040 0.000 0.901 342 Q HN 0.489 nan 8.270 nan 0.000 0.422 343 L N 0.010 121.265 121.223 0.053 0.000 2.131 343 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 343 L C 2.202 179.108 176.870 0.059 0.000 1.092 343 L CA 0.540 55.415 54.840 0.059 0.000 0.759 343 L CB -0.494 41.607 42.059 0.070 0.000 0.903 343 L HN 0.201 nan 8.230 nan 0.000 0.435 344 I N -0.822 119.781 120.570 0.055 0.000 2.439 344 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 344 I C 2.512 178.675 176.117 0.078 0.000 1.139 344 I CA 1.130 62.465 61.300 0.059 0.000 1.438 344 I CB -0.748 37.271 38.000 0.032 0.000 1.085 344 I HN 0.065 nan 8.210 nan 0.000 0.427 345 V N 1.093 121.046 119.914 0.065 0.000 2.323 345 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 345 V C 2.172 178.336 176.094 0.116 0.000 1.041 345 V CA 1.737 64.090 62.300 0.087 0.000 1.025 345 V CB -0.549 31.306 31.823 0.053 0.000 0.656 345 V HN 0.298 nan 8.190 nan 0.000 0.451 346 D N 0.567 121.015 120.400 0.079 0.000 2.158 346 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 346 D C 2.171 178.506 176.300 0.058 0.000 0.995 346 D CA 1.685 55.722 54.000 0.063 0.000 0.846 346 D CB -0.308 40.520 40.800 0.047 0.000 0.941 346 D HN 0.462 nan 8.370 nan 0.000 0.456 347 A N 0.113 122.973 122.820 0.067 0.000 1.877 347 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 347 A C 2.214 179.826 177.584 0.047 0.000 1.186 347 A CA 1.227 53.292 52.037 0.046 0.000 0.620 347 A CB -1.087 17.948 19.000 0.058 0.000 0.822 347 A HN 0.306 nan 8.150 nan 0.000 0.443 348 Y N 0.831 121.131 120.300 -0.000 0.000 2.224 348 Y HA -0.034 4.516 4.550 -0.000 0.000 0.289 348 Y C 2.352 178.263 175.900 0.019 0.000 1.146 348 Y CA 1.282 59.389 58.100 0.012 0.000 1.182 348 Y CB -0.528 37.954 38.460 0.036 0.000 0.983 348 Y HN 0.253 nan 8.280 nan 0.000 0.524 349 G N -0.567 108.294 108.800 0.101 0.000 2.708 349 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.210 349 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.210 349 G C 1.488 176.363 174.900 -0.042 0.000 1.141 349 G CA 0.427 45.553 45.100 0.043 0.000 0.788 349 G HN 0.376 nan 8.290 nan 0.000 0.531 350 K N -0.460 119.887 120.400 -0.089 0.000 2.354 350 K HA 0.252 4.572 4.320 -0.000 0.000 0.194 350 K C 0.573 177.060 176.600 -0.188 0.000 1.045 350 K CA -0.327 55.897 56.287 -0.105 0.000 1.026 350 K CB 0.536 32.990 32.500 -0.077 0.000 0.866 350 K HN 0.264 nan 8.250 nan 0.000 0.530 351 I N 2.794 123.177 120.570 -0.311 0.000 2.752 351 I HA -0.093 4.077 4.170 -0.000 0.000 0.289 351 I C 0.264 176.085 176.117 -0.494 0.000 1.197 351 I CA 0.340 61.342 61.300 -0.498 0.000 1.432 351 I CB 0.044 37.554 38.000 -0.816 0.000 1.359 351 I HN -0.047 nan 8.210 nan 0.000 0.571 352 R N 3.959 124.198 120.500 -0.434 0.000 2.795 352 R HA 0.601 4.941 4.340 -0.000 0.000 0.275 352 R C -0.895 175.264 176.300 -0.236 0.000 0.981 352 R CA -0.778 55.169 56.100 -0.255 0.000 0.917 352 R CB 2.175 32.398 30.300 -0.130 0.000 1.202 352 R HN 0.776 nan 8.270 nan 0.000 0.469 353 S N 0.221 115.906 115.700 -0.026 0.000 2.671 353 S HA 0.848 5.318 4.470 -0.000 0.000 0.299 353 S C -1.194 173.472 174.600 0.110 0.000 1.116 353 S CA -0.970 57.279 58.200 0.082 0.000 0.912 353 S CB 2.103 65.487 63.200 0.307 0.000 1.130 353 S HN 0.503 nan 8.310 nan 0.000 0.501 354 K N -0.446 120.037 120.400 0.138 0.000 2.422 354 K HA 0.726 5.046 4.320 -0.000 0.000 0.251 354 K C -1.720 174.983 176.600 0.172 0.000 0.933 354 K CA -0.986 55.376 56.287 0.125 0.000 0.798 354 K CB 1.871 34.413 32.500 0.071 0.000 1.238 354 K HN 0.379 nan 8.250 nan 0.000 0.428 355 V N 2.147 122.142 119.914 0.135 0.000 2.318 355 V HA 0.299 4.419 4.120 -0.000 0.000 0.271 355 V C -0.638 175.495 176.094 0.065 0.000 1.030 355 V CA -0.352 61.998 62.300 0.082 0.000 0.844 355 V CB 0.573 32.469 31.823 0.121 0.000 1.015 355 V HN 0.930 nan 8.190 nan 0.000 0.460 356 E N 5.348 125.534 120.200 -0.023 0.000 2.235 356 E HA 0.470 4.820 4.350 -0.000 0.000 0.252 356 E C -0.901 175.586 176.600 -0.189 0.000 0.886 356 E CA -0.639 55.710 56.400 -0.085 0.000 0.767 356 E CB 1.099 30.776 29.700 -0.037 0.000 1.205 356 E HN 0.652 nan 8.360 nan 0.000 0.421 357 L N 4.112 125.118 121.223 -0.362 0.000 2.456 357 L HA 0.224 4.564 4.340 -0.000 0.000 0.272 357 L C 0.362 177.053 176.870 -0.297 0.000 1.189 357 L CA 0.252 54.855 54.840 -0.395 0.000 0.846 357 L CB 0.390 42.063 42.059 -0.643 0.000 1.111 357 L HN 0.612 nan 8.230 nan 0.000 0.475 358 E N 1.469 121.562 120.200 -0.179 0.000 2.272 358 E HA 0.515 4.865 4.350 -0.000 0.000 0.269 358 E C -1.504 175.074 176.600 -0.037 0.000 0.877 358 E CA -0.987 55.347 56.400 -0.110 0.000 0.755 358 E CB 2.156 31.822 29.700 -0.057 0.000 1.192 358 E HN 0.208 nan 8.360 nan 0.000 0.422 359 V N 3.359 123.267 119.914 -0.010 0.000 2.334 359 V HA 0.300 4.420 4.120 -0.000 0.000 0.267 359 V C 0.026 176.160 176.094 0.066 0.000 1.040 359 V CA -0.608 61.736 62.300 0.075 0.000 0.866 359 V CB 0.001 31.877 31.823 0.089 0.000 1.019 359 V HN 0.591 nan 8.190 nan 0.000 0.468 360 R N 3.123 123.685 120.500 0.103 0.000 2.312 360 R HA 0.463 4.803 4.340 -0.000 0.000 0.311 360 R C -0.431 175.943 176.300 0.124 0.000 1.004 360 R CA -0.759 55.394 56.100 0.088 0.000 0.902 360 R CB 0.662 31.011 30.300 0.081 0.000 1.073 360 R HN 0.962 nan 8.270 nan 0.000 0.457 361 D N 1.044 121.492 120.400 0.080 0.000 3.400 361 D HA -0.216 4.424 4.640 -0.000 0.000 0.226 361 D C -1.003 175.334 176.300 0.062 0.000 1.152 361 D CA 0.335 54.382 54.000 0.080 0.000 1.008 361 D CB -0.753 40.109 40.800 0.103 0.000 0.866 361 D HN 0.305 nan 8.370 nan 0.000 0.402 362 L N 1.141 122.332 121.223 -0.052 0.000 2.325 362 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 362 L C -2.380 174.418 176.870 -0.119 0.000 1.004 362 L CA -1.852 52.849 54.840 -0.233 0.000 0.823 362 L CB 1.336 43.158 42.059 -0.395 0.000 1.236 362 L HN -0.059 nan 8.230 nan 0.000 0.415 363 P HA 0.005 nan 4.420 nan 0.000 0.266 363 P C -0.023 177.265 177.300 -0.021 0.000 1.180 363 P CA 0.219 63.322 63.100 0.004 0.000 0.765 363 P CB 0.532 32.283 31.700 0.084 0.000 0.806 364 E N 1.182 121.381 120.200 -0.002 0.000 2.265 364 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 364 E C 1.016 177.606 176.600 -0.017 0.000 0.996 364 E CA 0.802 57.194 56.400 -0.012 0.000 0.832 364 E CB -0.036 29.662 29.700 -0.003 0.000 0.756 364 E HN 0.566 nan 8.360 nan 0.000 0.491 365 E N 0.308 120.505 120.200 -0.004 0.000 2.476 365 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 365 E C -0.016 176.562 176.600 -0.037 0.000 1.064 365 E CA 0.204 56.590 56.400 -0.024 0.000 0.866 365 E CB 0.191 29.876 29.700 -0.026 0.000 0.952 365 E HN 0.118 nan 8.360 nan 0.000 0.492 366 L N 0.907 122.108 121.223 -0.038 0.000 2.370 366 L HA 0.354 4.694 4.340 -0.000 0.000 0.266 366 L C -0.432 176.388 176.870 -0.083 0.000 1.002 366 L CA -0.478 54.328 54.840 -0.057 0.000 0.818 366 L CB 2.298 44.315 42.059 -0.070 0.000 1.325 366 L HN -0.001 nan 8.230 nan 0.000 0.418 367 S N 1.894 117.550 115.700 -0.072 0.000 2.546 367 S HA 0.869 5.339 4.470 -0.000 0.000 0.274 367 S C -1.065 173.490 174.600 -0.075 0.000 1.121 367 S CA -0.892 57.270 58.200 -0.063 0.000 0.887 367 S CB 1.386 64.562 63.200 -0.039 0.000 1.094 367 S HN 0.409 nan 8.310 nan 0.000 0.474 368 L N 1.554 122.733 121.223 -0.073 0.000 2.333 368 L HA 0.744 5.084 4.340 -0.000 0.000 0.269 368 L C -0.290 176.449 176.870 -0.219 0.000 1.010 368 L CA -0.719 54.009 54.840 -0.187 0.000 0.818 368 L CB 2.287 44.212 42.059 -0.222 0.000 1.306 368 L HN 0.732 nan 8.230 nan 0.000 0.430 369 S N 0.939 116.387 115.700 -0.420 0.000 2.500 369 S HA 0.737 5.207 4.470 -0.000 0.000 0.301 369 S C -1.032 173.256 174.600 -0.519 0.000 1.092 369 S CA -0.483 57.554 58.200 -0.271 0.000 1.030 369 S CB 1.328 64.431 63.200 -0.162 0.000 1.031 369 S HN 0.238 nan 8.310 nan 0.000 0.483 370 F N 1.830 121.764 119.950 -0.027 0.000 2.532 370 F HA 0.526 5.053 4.527 0.000 0.000 0.321 370 F C 0.261 176.085 175.800 0.041 0.000 1.089 370 F CA -0.852 57.151 58.000 0.004 0.000 0.926 370 F CB 1.554 40.564 39.000 0.016 0.000 1.168 370 F HN 0.348 nan 8.300 nan 0.000 0.459 371 N N 2.047 120.889 118.700 0.236 0.000 2.573 371 N HA 0.517 5.257 4.740 -0.000 0.000 0.262 371 N C -0.975 174.634 175.510 0.166 0.000 1.029 371 N CA -0.435 52.701 53.050 0.145 0.000 0.882 371 N CB 1.828 40.343 38.487 0.048 0.000 1.204 371 N HN 0.690 nan 8.380 nan 0.000 0.519 372 A N 1.345 124.249 122.820 0.139 0.000 2.327 372 A HA 0.656 4.976 4.320 -0.000 0.000 0.283 372 A C -0.085 177.390 177.584 -0.181 0.000 1.127 372 A CA -0.064 51.928 52.037 -0.075 0.000 0.810 372 A CB 0.305 19.322 19.000 0.028 0.000 1.066 372 A HN 0.416 nan 8.150 nan 0.000 0.492 373 T N 2.513 116.858 114.554 -0.348 0.000 3.009 373 T HA 0.354 4.704 4.350 -0.000 0.000 0.346 373 T C 0.142 174.683 174.700 -0.266 0.000 1.092 373 T CA -0.460 61.505 62.100 -0.226 0.000 1.080 373 T CB -0.058 68.709 68.868 -0.168 0.000 1.037 373 T HN 0.738 nan 8.240 nan 0.000 0.487 374 c N 1.575 120.062 118.600 -0.189 0.000 2.310 374 c HA 0.318 4.888 4.570 -0.000 0.000 0.279 374 c C 2.249 176.283 174.090 -0.094 0.000 2.750 374 c CA -0.570 55.671 56.329 -0.147 0.000 1.792 374 c CB -0.643 41.811 42.510 -0.093 0.000 1.957 374 c HN 0.758 nan 8.230 nan 0.000 0.463 375 L N 1.489 122.677 121.223 -0.058 0.000 2.109 375 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 375 L C 2.075 178.926 176.870 -0.032 0.000 1.086 375 L CA 1.848 56.666 54.840 -0.036 0.000 0.760 375 L CB -1.170 40.878 42.059 -0.018 0.000 0.910 375 L HN 0.750 nan 8.230 nan 0.000 0.437 376 N N -0.855 117.826 118.700 -0.032 0.000 2.626 376 N HA -0.152 4.588 4.740 -0.000 0.000 0.193 376 N C 0.047 175.539 175.510 -0.030 0.000 1.213 376 N CA 0.353 53.387 53.050 -0.026 0.000 0.914 376 N CB -0.687 37.787 38.487 -0.022 0.000 0.994 376 N HN 0.237 nan 8.380 nan 0.000 0.447 377 N N 0.472 119.148 118.700 -0.040 0.000 2.714 377 N HA -0.235 4.505 4.740 -0.000 0.000 0.252 377 N C -1.343 174.145 175.510 -0.038 0.000 1.014 377 N CA 0.920 53.946 53.050 -0.041 0.000 0.735 377 N CB -0.704 37.765 38.487 -0.030 0.000 0.924 377 N HN 0.666 nan 8.380 nan 0.000 0.540 378 E N 0.073 120.247 120.200 -0.043 0.000 2.185 378 E HA 0.336 4.686 4.350 -0.000 0.000 0.261 378 E C -0.809 175.766 176.600 -0.041 0.000 0.879 378 E CA -0.777 55.602 56.400 -0.034 0.000 0.756 378 E CB 0.972 30.656 29.700 -0.027 0.000 1.152 378 E HN 0.041 nan 8.360 nan 0.000 0.416 379 V N 7.083 126.977 119.914 -0.034 0.000 2.352 379 V HA 0.163 4.282 4.120 -0.000 0.000 0.253 379 V C 0.229 176.314 176.094 -0.015 0.000 1.083 379 V CA 0.087 62.368 62.300 -0.031 0.000 0.993 379 V CB -0.352 31.456 31.823 -0.025 0.000 1.111 379 V HN 0.610 nan 8.190 nan 0.000 0.490 380 I N 7.656 128.220 120.570 -0.011 0.000 2.312 380 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 380 I C -2.238 173.896 176.117 0.029 0.000 1.008 380 I CA -1.956 59.348 61.300 0.006 0.000 1.226 380 I CB 1.666 39.669 38.000 0.005 0.000 1.371 380 I HN 0.370 nan 8.210 nan 0.000 0.468 381 P HA 0.160 nan 4.420 nan 0.000 0.272 381 P C 0.920 178.256 177.300 0.060 0.000 1.223 381 P CA 0.447 63.573 63.100 0.043 0.000 0.784 381 P CB 0.939 32.654 31.700 0.025 0.000 0.923 382 G N 0.805 109.657 108.800 0.087 0.000 2.550 382 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.233 382 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.233 382 G C -0.033 174.935 174.900 0.114 0.000 1.170 382 G CA 0.153 45.311 45.100 0.096 0.000 0.693 382 G HN 0.627 nan 8.290 nan 0.000 0.512 383 L N 2.163 123.446 121.223 0.100 0.000 2.455 383 L HA 0.583 4.923 4.340 -0.000 0.000 0.272 383 L C 1.153 178.116 176.870 0.155 0.000 1.174 383 L CA 1.023 55.918 54.840 0.092 0.000 0.869 383 L CB 0.682 42.786 42.059 0.074 0.000 1.130 383 L HN 0.477 nan 8.230 nan 0.000 0.474 384 K N 2.101 122.531 120.400 0.050 0.000 2.934 384 K HA 0.423 4.743 4.320 -0.000 0.000 0.210 384 K C -0.882 175.706 176.600 -0.020 0.000 1.122 384 K CA -0.163 56.089 56.287 -0.058 0.000 1.033 384 K CB 0.118 32.223 32.500 -0.658 0.000 0.779 384 K HN 0.528 nan 8.250 nan 0.000 0.459 385 S N -0.446 115.377 115.700 0.205 0.000 2.562 385 S HA 0.459 4.929 4.470 -0.000 0.000 0.274 385 S C -0.735 173.963 174.600 0.163 0.000 1.160 385 S CA -0.820 57.482 58.200 0.171 0.000 0.933 385 S CB 0.812 64.031 63.200 0.032 0.000 1.100 385 S HN 0.258 nan 8.310 nan 0.000 0.468 386 c N 3.770 122.470 118.600 0.167 0.000 2.456 386 c HA 0.802 5.372 4.570 -0.000 0.000 0.325 386 c C 0.115 174.239 174.090 0.057 0.000 1.217 386 c CA -0.595 55.772 56.329 0.063 0.000 1.687 386 c CB 0.855 43.359 42.510 -0.010 0.000 2.270 386 c HN 0.978 nan 8.230 nan 0.000 0.499 387 M N 1.198 120.816 119.600 0.030 0.000 2.796 387 M HA 0.637 5.117 4.480 -0.000 0.000 0.303 387 M C 0.912 177.223 176.300 0.018 0.000 1.240 387 M CA 0.042 55.358 55.300 0.027 0.000 0.831 387 M CB 1.448 34.056 32.600 0.013 0.000 1.750 387 M HN 0.923 nan 8.290 nan 0.000 0.484 388 G N 0.882 109.690 108.800 0.014 0.000 2.137 388 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.237 388 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.237 388 G C -0.516 174.401 174.900 0.028 0.000 1.002 388 G CA -0.610 44.495 45.100 0.008 0.000 0.702 388 G HN 0.435 nan 8.290 nan 0.000 0.515 389 L N 0.033 121.291 121.223 0.058 0.000 2.380 389 L HA 0.474 4.814 4.340 -0.000 0.000 0.273 389 L C 0.964 177.920 176.870 0.143 0.000 1.138 389 L CA 0.638 55.536 54.840 0.097 0.000 0.832 389 L CB 0.968 43.109 42.059 0.138 0.000 1.124 389 L HN 0.274 nan 8.230 nan 0.000 0.454 390 K N 2.513 122.992 120.400 0.131 0.000 2.400 390 K HA 0.554 4.874 4.320 -0.000 0.000 0.249 390 K C -0.470 176.199 176.600 0.114 0.000 1.069 390 K CA -1.077 55.311 56.287 0.168 0.000 0.965 390 K CB 1.212 33.770 32.500 0.097 0.000 1.365 390 K HN 0.254 nan 8.250 nan 0.000 0.539 391 I N 1.615 122.213 120.570 0.046 0.000 2.496 391 I HA 0.052 4.222 4.170 -0.000 0.000 0.285 391 I C 1.318 177.432 176.117 -0.005 0.000 1.080 391 I CA 1.017 62.277 61.300 -0.067 0.000 1.404 391 I CB -0.089 37.858 38.000 -0.087 0.000 1.403 391 I HN 1.029 nan 8.210 nan 0.000 0.539 392 G N 5.381 114.176 108.800 -0.009 0.000 2.253 392 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.251 392 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.251 392 G C 0.151 175.066 174.900 0.025 0.000 0.998 392 G CA -0.228 44.879 45.100 0.011 0.000 0.621 392 G HN 0.534 nan 8.290 nan 0.000 0.524 393 D N 1.654 122.075 120.400 0.035 0.000 2.414 393 D HA 0.514 5.154 4.640 -0.000 0.000 0.242 393 D C 0.594 176.917 176.300 0.038 0.000 1.129 393 D CA 0.928 54.949 54.000 0.035 0.000 0.885 393 D CB 0.981 41.807 40.800 0.042 0.000 1.198 393 D HN 0.197 nan 8.370 nan 0.000 0.437 394 T N 0.814 115.380 114.554 0.020 0.000 2.856 394 T HA 0.601 4.951 4.350 -0.000 0.000 0.283 394 T C -0.329 174.359 174.700 -0.019 0.000 1.008 394 T CA -0.713 61.394 62.100 0.013 0.000 0.997 394 T CB 1.675 70.549 68.868 0.010 0.000 0.992 394 T HN 0.000 nan 8.240 nan 0.000 0.454 395 V N 2.593 122.486 119.914 -0.035 0.000 2.760 395 V HA 0.708 4.828 4.120 -0.000 0.000 0.309 395 V C -0.320 175.673 176.094 -0.168 0.000 1.077 395 V CA -0.826 61.396 62.300 -0.131 0.000 0.910 395 V CB 2.367 34.099 31.823 -0.152 0.000 1.008 395 V HN 1.110 nan 8.190 nan 0.000 0.424 396 S N 3.719 119.253 115.700 -0.276 0.000 2.568 396 S HA 0.896 5.366 4.470 -0.000 0.000 0.302 396 S C -1.167 173.184 174.600 -0.415 0.000 1.082 396 S CA -0.589 57.495 58.200 -0.193 0.000 1.009 396 S CB 1.837 64.993 63.200 -0.074 0.000 1.069 396 S HN 0.339 nan 8.310 nan 0.000 0.500 397 F N 0.337 120.302 119.950 0.025 0.000 2.576 397 F HA 0.660 5.187 4.527 -0.000 0.000 0.313 397 F C 0.415 176.218 175.800 0.005 0.000 1.078 397 F CA -0.716 57.310 58.000 0.043 0.000 0.921 397 F CB 2.495 41.557 39.000 0.105 0.000 1.232 397 F HN 0.639 nan 8.300 nan 0.000 0.459 398 S N 2.657 118.452 115.700 0.158 0.000 2.449 398 S HA 0.800 5.270 4.470 -0.000 0.000 0.310 398 S C -0.962 173.543 174.600 -0.158 0.000 1.096 398 S CA -0.353 57.836 58.200 -0.019 0.000 1.095 398 S CB 0.250 63.432 63.200 -0.031 0.000 1.007 398 S HN 0.412 nan 8.310 nan 0.000 0.474 399 I N 3.585 123.878 120.570 -0.462 0.000 2.530 399 I HA 0.509 4.679 4.170 -0.000 0.000 0.297 399 I C -0.010 175.593 176.117 -0.858 0.000 1.011 399 I CA -0.316 60.487 61.300 -0.828 0.000 1.107 399 I CB 1.980 39.310 38.000 -1.116 0.000 1.285 399 I HN 0.580 nan 8.210 nan 0.000 0.436 400 E N 4.317 124.156 120.200 -0.602 0.000 2.218 400 E HA 0.756 5.106 4.350 -0.000 0.000 0.263 400 E C -1.458 175.019 176.600 -0.206 0.000 0.879 400 E CA -0.910 55.293 56.400 -0.328 0.000 0.762 400 E CB 1.595 31.174 29.700 -0.202 0.000 1.166 400 E HN 0.740 nan 8.360 nan 0.000 0.415 401 A N 5.081 127.892 122.820 -0.015 0.000 2.260 401 A HA 0.401 4.721 4.320 -0.000 0.000 0.314 401 A C -0.563 177.048 177.584 0.046 0.000 1.257 401 A CA -0.572 51.510 52.037 0.075 0.000 0.871 401 A CB 0.696 19.871 19.000 0.292 0.000 1.166 401 A HN 0.541 nan 8.150 nan 0.000 0.522 402 K N 2.604 123.004 120.400 0.001 0.000 2.323 402 K HA 0.567 4.887 4.320 -0.000 0.000 0.259 402 K C -0.575 176.010 176.600 -0.025 0.000 0.947 402 K CA -0.537 55.744 56.287 -0.011 0.000 0.819 402 K CB 1.569 34.053 32.500 -0.028 0.000 1.109 402 K HN 0.695 nan 8.250 nan 0.000 0.429 403 V N 1.482 121.370 119.914 -0.042 0.000 2.713 403 V HA 0.583 4.703 4.120 -0.000 0.000 0.307 403 V C -0.624 175.404 176.094 -0.110 0.000 1.052 403 V CA -0.888 61.353 62.300 -0.100 0.000 0.967 403 V CB 1.558 33.263 31.823 -0.197 0.000 1.019 403 V HN 0.871 nan 8.190 nan 0.000 0.459 404 R N 2.701 123.125 120.500 -0.128 0.000 2.272 404 R HA 0.595 4.935 4.340 -0.000 0.000 0.323 404 R C 0.549 176.768 176.300 -0.134 0.000 1.002 404 R CA 0.726 56.764 56.100 -0.102 0.000 0.900 404 R CB 0.402 30.658 30.300 -0.072 0.000 1.151 404 R HN 1.828 nan 8.270 nan 0.000 0.507 405 G N 2.067 110.791 108.800 -0.126 0.000 2.598 405 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 405 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 405 G C -0.943 173.829 174.900 -0.214 0.000 1.302 405 G CA -0.104 44.919 45.100 -0.129 0.000 0.903 405 G HN 0.680 nan 8.290 nan 0.000 0.575 406 c N 2.263 120.749 118.600 -0.190 0.000 2.978 406 c HA 0.634 5.204 4.570 -0.000 0.000 0.274 406 c C -1.775 172.232 174.090 -0.139 0.000 1.087 406 c CA -1.066 55.116 56.329 -0.245 0.000 1.453 406 c CB -0.300 42.134 42.510 -0.126 0.000 1.838 406 c HN 0.693 nan 8.230 nan 0.000 0.470 407 P HA 0.091 nan 4.420 nan 0.000 0.267 407 P C 0.652 178.081 177.300 0.215 0.000 1.201 407 P CA 0.368 63.515 63.100 0.078 0.000 0.775 407 P CB 0.647 32.462 31.700 0.192 0.000 0.854 408 Q N 0.362 120.245 119.800 0.138 0.000 2.137 408 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 408 Q C -0.064 175.999 176.000 0.104 0.000 0.960 408 Q CA 0.773 56.637 55.803 0.103 0.000 0.847 408 Q CB -0.057 28.715 28.738 0.057 0.000 0.915 408 Q HN 0.620 nan 8.270 nan 0.000 0.448 409 E N 1.301 121.571 120.200 0.117 0.000 2.465 409 E HA -0.089 4.261 4.350 -0.000 0.000 0.260 409 E C 0.355 176.966 176.600 0.018 0.000 0.980 409 E CA 0.165 56.598 56.400 0.056 0.000 0.927 409 E CB 0.511 30.248 29.700 0.062 0.000 0.934 409 E HN -0.024 nan 8.360 nan 0.000 0.459 410 K N 2.061 122.421 120.400 -0.066 0.000 2.350 410 K HA 0.039 4.359 4.320 -0.000 0.000 0.196 410 K C -0.210 176.227 176.600 -0.271 0.000 1.084 410 K CA 0.527 56.736 56.287 -0.130 0.000 0.967 410 K CB 0.684 33.152 32.500 -0.053 0.000 0.950 410 K HN 0.388 nan 8.250 nan 0.000 0.512 411 E N 0.789 120.871 120.200 -0.197 0.000 2.244 411 E HA 0.365 4.715 4.350 -0.000 0.000 0.260 411 E C -1.360 175.151 176.600 -0.148 0.000 0.884 411 E CA -0.546 55.740 56.400 -0.189 0.000 0.777 411 E CB 0.844 30.472 29.700 -0.119 0.000 1.197 411 E HN -0.071 nan 8.360 nan 0.000 0.416 412 K N 1.442 121.744 120.400 -0.163 0.000 2.430 412 K HA 0.723 5.043 4.320 -0.000 0.000 0.268 412 K C -1.254 175.322 176.600 -0.040 0.000 1.043 412 K CA -0.787 55.457 56.287 -0.072 0.000 0.899 412 K CB 1.637 34.115 32.500 -0.035 0.000 1.472 412 K HN 0.657 nan 8.250 nan 0.000 0.451 413 S N -0.470 115.251 115.700 0.036 0.000 2.567 413 S HA 0.776 5.246 4.470 -0.000 0.000 0.270 413 S C -1.154 173.544 174.600 0.164 0.000 1.152 413 S CA -0.989 57.227 58.200 0.026 0.000 0.835 413 S CB 0.936 64.093 63.200 -0.073 0.000 1.115 413 S HN 0.493 nan 8.310 nan 0.000 0.459 414 F N -1.153 118.786 119.950 -0.018 0.000 2.664 414 F HA 0.942 5.469 4.527 -0.000 0.000 0.317 414 F C -0.743 175.061 175.800 0.007 0.000 1.108 414 F CA -0.884 57.119 58.000 0.005 0.000 0.957 414 F CB 1.147 40.165 39.000 0.030 0.000 1.365 414 F HN 0.616 nan 8.300 nan 0.000 0.475 415 T N 1.813 116.498 114.554 0.219 0.000 2.908 415 T HA 0.717 5.067 4.350 -0.000 0.000 0.290 415 T C -0.809 174.003 174.700 0.187 0.000 1.034 415 T CA -0.518 61.638 62.100 0.094 0.000 1.010 415 T CB 1.851 70.756 68.868 0.062 0.000 1.068 415 T HN 0.611 nan 8.240 nan 0.000 0.481 416 I N 2.919 123.556 120.570 0.112 0.000 2.517 416 I HA 0.363 4.533 4.170 -0.000 0.000 0.280 416 I C -0.471 175.666 176.117 0.034 0.000 1.061 416 I CA -0.754 60.621 61.300 0.124 0.000 1.091 416 I CB 1.208 39.333 38.000 0.209 0.000 1.205 416 I HN 0.573 nan 8.210 nan 0.000 0.459 417 K N 7.203 127.604 120.400 0.002 0.000 2.422 417 K HA 0.675 4.995 4.320 -0.000 0.000 0.251 417 K C -3.094 173.463 176.600 -0.072 0.000 0.933 417 K CA -1.821 54.450 56.287 -0.026 0.000 0.798 417 K CB 2.742 35.257 32.500 0.025 0.000 1.238 417 K HN 0.028 nan 8.250 nan 0.000 0.428 418 P HA -0.021 nan 4.420 nan 0.000 0.271 418 P C 0.050 177.376 177.300 0.044 0.000 1.216 418 P CA -0.405 62.578 63.100 -0.195 0.000 0.771 418 P CB 0.881 32.231 31.700 -0.584 0.000 0.864 419 V N 3.335 123.284 119.914 0.058 0.000 2.539 419 V HA 0.161 4.281 4.120 -0.000 0.000 0.300 419 V C 1.800 178.048 176.094 0.257 0.000 1.019 419 V CA 1.918 64.289 62.300 0.118 0.000 1.160 419 V CB -0.790 31.069 31.823 0.060 0.000 0.901 419 V HN 1.087 nan 8.190 nan 0.000 0.481 420 G N 4.116 113.042 108.800 0.209 0.000 2.141 420 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.231 420 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.231 420 G C -0.342 174.618 174.900 0.099 0.000 0.984 420 G CA -0.275 44.913 45.100 0.147 0.000 0.660 420 G HN 0.501 nan 8.290 nan 0.000 0.525 421 F N -0.299 119.662 119.950 0.019 0.000 2.538 421 F HA 0.635 5.162 4.527 -0.000 0.000 0.325 421 F C 1.334 177.143 175.800 0.015 0.000 1.066 421 F CA -1.034 56.977 58.000 0.020 0.000 0.946 421 F CB 1.708 40.722 39.000 0.022 0.000 1.199 421 F HN -0.128 nan 8.300 nan 0.000 0.473 422 K N -0.138 120.370 120.400 0.180 0.000 2.211 422 K HA 0.060 4.380 4.320 -0.000 0.000 0.201 422 K C -0.502 176.166 176.600 0.115 0.000 1.052 422 K CA 0.437 56.788 56.287 0.107 0.000 0.973 422 K CB -0.044 32.490 32.500 0.056 0.000 0.766 422 K HN 0.604 nan 8.250 nan 0.000 0.466 423 D N 1.533 122.029 120.400 0.160 0.000 2.424 423 D HA 0.055 4.695 4.640 -0.000 0.000 0.244 423 D C -0.265 176.083 176.300 0.080 0.000 1.134 423 D CA 0.311 54.379 54.000 0.113 0.000 0.881 423 D CB 0.942 41.823 40.800 0.134 0.000 1.191 423 D HN 0.079 nan 8.370 nan 0.000 0.445 424 S N 1.321 117.046 115.700 0.042 0.000 2.618 424 S HA 0.623 5.093 4.470 -0.000 0.000 0.277 424 S C -1.426 173.173 174.600 -0.001 0.000 1.138 424 S CA -1.158 57.054 58.200 0.020 0.000 0.844 424 S CB 1.336 64.550 63.200 0.023 0.000 1.127 424 S HN 0.331 nan 8.310 nan 0.000 0.474 425 L N 1.430 122.647 121.223 -0.010 0.000 2.305 425 L HA 0.678 5.018 4.340 -0.000 0.000 0.284 425 L C -1.331 175.476 176.870 -0.104 0.000 1.013 425 L CA -0.808 54.006 54.840 -0.043 0.000 0.819 425 L CB 0.598 42.654 42.059 -0.006 0.000 1.227 425 L HN 0.792 nan 8.230 nan 0.000 0.417 426 I N 6.122 126.602 120.570 -0.151 0.000 2.312 426 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 426 I C -0.658 175.244 176.117 -0.358 0.000 1.008 426 I CA -0.809 60.359 61.300 -0.221 0.000 1.226 426 I CB 1.614 39.526 38.000 -0.146 0.000 1.371 426 I HN 0.302 nan 8.210 nan 0.000 0.468 427 V N 6.609 126.151 119.914 -0.620 0.000 2.370 427 V HA 0.253 4.373 4.120 -0.000 0.000 0.279 427 V C -0.061 175.687 176.094 -0.578 0.000 1.029 427 V CA -0.613 61.221 62.300 -0.777 0.000 0.870 427 V CB 1.185 32.184 31.823 -1.374 0.000 0.984 427 V HN 0.690 nan 8.190 nan 0.000 0.451 428 Q N 3.408 123.000 119.800 -0.347 0.000 2.430 428 Q HA 0.445 4.785 4.340 -0.000 0.000 0.245 428 Q C -0.363 175.537 176.000 -0.166 0.000 1.021 428 Q CA -0.524 55.150 55.803 -0.215 0.000 0.867 428 Q CB 1.905 30.541 28.738 -0.170 0.000 1.210 428 Q HN 0.809 nan 8.270 nan 0.000 0.487 429 V N 0.469 120.315 119.914 -0.113 0.000 2.614 429 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 429 V C -0.058 175.857 176.094 -0.299 0.000 1.049 429 V CA -0.207 62.029 62.300 -0.107 0.000 1.038 429 V CB 1.242 33.076 31.823 0.019 0.000 0.980 429 V HN 0.587 nan 8.190 nan 0.000 0.481 430 T N 5.567 119.979 114.554 -0.237 0.000 2.921 430 T HA 0.654 5.004 4.350 -0.000 0.000 0.297 430 T C -0.929 173.742 174.700 -0.049 0.000 1.013 430 T CA -0.084 61.864 62.100 -0.254 0.000 0.990 430 T CB 1.117 69.919 68.868 -0.111 0.000 1.023 430 T HN 0.472 nan 8.240 nan 0.000 0.447 431 F N 1.965 121.912 119.950 -0.005 0.000 2.420 431 F HA 0.421 4.948 4.527 -0.000 0.000 0.342 431 F C 0.693 176.484 175.800 -0.015 0.000 1.113 431 F CA -1.832 56.163 58.000 -0.007 0.000 1.059 431 F CB 0.982 39.980 39.000 -0.003 0.000 1.128 431 F HN 0.445 nan 8.300 nan 0.000 0.475 432 D N 2.548 123.055 120.400 0.180 0.000 2.540 432 D HA 0.262 4.902 4.640 -0.000 0.000 0.251 432 D C 0.406 176.735 176.300 0.047 0.000 1.159 432 D CA -0.035 54.011 54.000 0.077 0.000 0.974 432 D CB 0.428 41.248 40.800 0.034 0.000 0.996 432 D HN 0.523 nan 8.370 nan 0.000 0.512 433 c N 0.749 119.379 118.600 0.051 0.000 2.527 433 c HA 0.174 4.744 4.570 -0.000 0.000 0.280 433 c C 0.800 174.886 174.090 -0.006 0.000 1.353 433 c CA -0.427 55.911 56.329 0.016 0.000 1.749 433 c CB -0.218 42.303 42.510 0.018 0.000 2.088 433 c HN 0.402 nan 8.230 nan 0.000 0.508 434 D N 0.089 120.486 120.400 -0.006 0.000 2.340 434 D HA 0.395 5.035 4.640 -0.000 0.000 0.251 434 D C -0.275 176.008 176.300 -0.029 0.000 1.080 434 D CA -0.032 53.950 54.000 -0.029 0.000 0.971 434 D CB 0.791 41.577 40.800 -0.024 0.000 1.137 434 D HN 0.277 nan 8.370 nan 0.000 0.475 435 c N 0.014 118.582 118.600 -0.053 0.000 2.407 435 c HA 0.655 5.225 4.570 -0.000 0.000 0.366 435 c C 0.894 174.970 174.090 -0.024 0.000 1.213 435 c CA -0.805 55.502 56.329 -0.038 0.000 2.011 435 c CB 0.961 43.418 42.510 -0.089 0.000 2.306 435 c HN 0.673 nan 8.230 nan 0.000 0.527 436 A N 0.185 123.007 122.820 0.003 0.000 3.052 436 A HA 0.313 4.633 4.320 -0.000 0.000 0.266 436 A C 1.095 178.683 177.584 0.007 0.000 1.855 436 A CA 0.339 52.382 52.037 0.010 0.000 1.473 436 A CB -1.474 17.542 19.000 0.027 0.000 1.038 436 A HN 1.421 nan 8.150 nan 0.000 0.619 437 C N -0.541 118.751 119.300 -0.013 0.000 4.252 437 C HA -0.179 4.281 4.460 -0.000 0.000 0.285 437 C C 0.853 175.838 174.990 -0.008 0.000 1.466 437 C CA 1.303 60.312 59.018 -0.014 0.000 1.946 437 C CB -2.558 25.182 27.740 0.000 0.000 1.366 437 C HN 0.795 nan 8.230 nan 0.000 0.783 438 Q N 0.148 119.944 119.800 -0.006 0.000 2.295 438 Q HA 0.562 4.902 4.340 -0.000 0.000 0.259 438 Q C -0.060 175.931 176.000 -0.016 0.000 0.976 438 Q CA 0.817 56.645 55.803 0.042 0.000 0.923 438 Q CB 1.321 30.141 28.738 0.137 0.000 1.185 438 Q HN 0.762 nan 8.270 nan 0.000 0.410 439 A N 2.725 125.578 122.820 0.055 0.000 2.565 439 A HA 0.338 4.658 4.320 -0.000 0.000 0.298 439 A C -1.178 176.468 177.584 0.104 0.000 1.062 439 A CA -0.909 51.154 52.037 0.043 0.000 0.723 439 A CB 1.418 20.385 19.000 -0.055 0.000 1.282 439 A HN 0.529 nan 8.150 nan 0.000 0.400 440 Q N 0.000 119.896 119.800 0.161 0.000 2.315 440 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 440 Q CA 0.000 55.879 55.803 0.127 0.000 1.022 440 Q CB 0.000 28.831 28.738 0.156 0.000 1.108 440 Q HN 0.000 nan 8.270 nan 0.000 0.481