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 2nvv_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALRFITAEEA AEFVHHNDNV GFSGFTPAGN PKVVPAAIAK RAIAAHEKGN DATA SEQUENCE PFKIGXFTGA STGARLDGVL AQADAVKFRT PYQSNKDLRN LINNGSTSYF DATA SEQUENCE DLHLSTLAQD LRYGFYGKVD VAIIEVADVT EDGKILPTTG VGILPTICRL DATA SEQUENCE ADRIIVELND KHPKEIXGXH DLCEPLDPPA RRELPVYTPS DRIGKPYVQV DATA SEQUENCE DPAKIVGVVR TSEPNDESDF APLDPVTQAI GDNVAAFLVS EXKAGRIPKD DATA SEQUENCE FLPLQSGVGN VANAVLGALG DNPDIPAFNX YTEVIQDAVI ALXKKGRIKF DATA SEQUENCE ASGCSLSVSR SVIQDIYANL DFFKDKILLR PQEYSNNPEI VRRLGVITIN DATA SEQUENCE TALEADIFGN INSTHVSGTR XXNGIGGSGD FTRNSYVSIF TTPSVXKDGK DATA SEQUENCE ISSFVPXVAH HDHSEHSVKV IISEWGVADL RGKNPRERAH EIIDKCVHPD DATA SEQUENCE YRPLLRQYLE LGVKGQTPQN LDCCFAFHQE LAKSGDXRNV RWEDY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.043 52.037 0.010 0.000 0.836 2 A CB 0.000 19.021 19.000 0.036 0.000 0.831 3 L N 1.579 122.791 121.223 -0.018 0.000 2.462 3 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 3 L C 1.068 177.870 176.870 -0.113 0.000 1.166 3 L CA 0.918 55.689 54.840 -0.115 0.000 0.880 3 L CB 0.085 42.048 42.059 -0.161 0.000 1.142 3 L HN 0.675 nan 8.230 nan 0.000 0.473 4 R N 3.607 123.996 120.500 -0.184 0.000 2.265 4 R HA 0.376 4.716 4.340 -0.000 0.000 0.319 4 R C -1.206 174.943 176.300 -0.252 0.000 1.006 4 R CA -0.522 55.524 56.100 -0.090 0.000 0.880 4 R CB 0.521 30.798 30.300 -0.038 0.000 1.077 4 R HN 0.324 nan 8.270 nan 0.000 0.454 5 F N 6.257 126.208 119.950 0.001 0.000 2.410 5 F HA 0.381 4.908 4.527 -0.000 0.000 0.349 5 F C 0.682 176.492 175.800 0.018 0.000 1.117 5 F CA -0.445 57.557 58.000 0.003 0.000 1.104 5 F CB 1.056 40.058 39.000 0.004 0.000 1.122 5 F HN 0.395 nan 8.300 nan 0.000 0.483 6 I N -1.230 119.411 120.570 0.118 0.000 3.466 6 I HA 0.722 4.892 4.170 -0.000 0.000 0.311 6 I C -0.328 175.849 176.117 0.100 0.000 1.155 6 I CA -1.067 60.297 61.300 0.107 0.000 0.959 6 I CB 2.009 40.065 38.000 0.093 0.000 1.332 6 I HN 0.458 nan 8.210 nan 0.000 0.483 7 T N -1.273 113.334 114.554 0.089 0.000 2.912 7 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 7 T C 0.924 175.665 174.700 0.069 0.000 0.989 7 T CA -0.134 62.011 62.100 0.073 0.000 0.995 7 T CB 1.619 70.523 68.868 0.061 0.000 1.077 7 T HN 0.833 nan 8.240 nan 0.000 0.531 8 A N 0.077 122.930 122.820 0.056 0.000 2.067 8 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 8 A C 2.006 179.621 177.584 0.052 0.000 1.158 8 A CA 1.105 53.173 52.037 0.051 0.000 0.661 8 A CB -0.863 18.161 19.000 0.041 0.000 0.801 8 A HN 0.875 nan 8.150 nan 0.000 0.452 9 E N 0.154 120.381 120.200 0.046 0.000 2.122 9 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 9 E C 1.856 178.487 176.600 0.052 0.000 0.977 9 E CA 1.214 57.635 56.400 0.035 0.000 0.820 9 E CB -0.182 29.530 29.700 0.021 0.000 0.770 9 E HN 0.742 nan 8.360 nan 0.000 0.462 10 E N 0.612 120.860 120.200 0.080 0.000 2.107 10 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 10 E C 2.034 178.775 176.600 0.234 0.000 0.982 10 E CA 0.873 57.343 56.400 0.116 0.000 0.809 10 E CB -0.130 29.653 29.700 0.139 0.000 0.756 10 E HN 0.241 nan 8.360 nan 0.000 0.459 11 A N 1.742 124.698 122.820 0.227 0.000 1.902 11 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 11 A C 2.432 180.184 177.584 0.281 0.000 1.181 11 A CA 1.567 53.772 52.037 0.281 0.000 0.623 11 A CB -0.642 18.418 19.000 0.100 0.000 0.818 11 A HN 0.280 nan 8.150 nan 0.000 0.443 12 A N -0.107 122.798 122.820 0.141 0.000 2.076 12 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 12 A C 1.780 179.392 177.584 0.047 0.000 1.160 12 A CA 1.550 53.636 52.037 0.083 0.000 0.653 12 A CB -0.526 18.493 19.000 0.031 0.000 0.801 12 A HN 0.677 nan 8.150 nan 0.000 0.455 13 E N -1.253 118.958 120.200 0.019 0.000 2.338 13 E HA -0.116 4.234 4.350 -0.000 0.000 0.197 13 E C 0.801 177.227 176.600 -0.291 0.000 1.007 13 E CA 0.700 57.025 56.400 -0.125 0.000 0.849 13 E CB -0.215 29.368 29.700 -0.195 0.000 0.774 13 E HN 0.786 nan 8.360 nan 0.000 0.506 14 F N 0.365 120.235 119.950 -0.132 0.000 2.811 14 F HA 0.020 4.547 4.527 -0.000 0.000 0.301 14 F C 0.664 176.227 175.800 -0.395 0.000 1.151 14 F CA 0.137 58.030 58.000 -0.178 0.000 1.412 14 F CB 0.496 39.459 39.000 -0.062 0.000 1.113 14 F HN -0.244 nan 8.300 nan 0.000 0.579 15 V N 1.232 120.987 119.914 -0.265 0.000 2.398 15 V HA 0.292 4.412 4.120 -0.000 0.000 0.286 15 V C -0.185 175.692 176.094 -0.362 0.000 1.026 15 V CA -0.843 61.329 62.300 -0.213 0.000 0.868 15 V CB 0.908 32.757 31.823 0.043 0.000 0.982 15 V HN 0.094 nan 8.190 nan 0.000 0.443 16 H N 2.136 121.220 119.070 0.023 0.000 2.797 16 H HA 0.409 4.965 4.556 -0.000 0.000 0.362 16 H C -0.246 174.782 175.328 -0.499 0.000 1.183 16 H CA -0.670 55.290 56.048 -0.146 0.000 1.197 16 H CB 1.518 31.232 29.762 -0.080 0.000 1.835 16 H HN 0.761 nan 8.280 nan 0.000 0.567 17 H N 1.334 119.936 119.070 -0.779 0.000 3.001 17 H HA -0.131 4.425 4.556 -0.000 0.000 0.334 17 H C 0.208 175.349 175.328 -0.312 0.000 1.034 17 H CA 1.196 56.748 56.048 -0.827 0.000 1.420 17 H CB 0.420 29.822 29.762 -0.600 0.000 1.405 17 H HN 0.816 nan 8.280 nan 0.000 0.593 18 N N 2.147 120.354 118.700 -0.821 0.000 2.965 18 N HA -0.197 4.543 4.740 -0.000 0.000 0.232 18 N C -1.191 174.178 175.510 -0.235 0.000 0.913 18 N CA 1.221 53.929 53.050 -0.569 0.000 0.981 18 N CB -0.774 37.342 38.487 -0.619 0.000 1.077 18 N HN 0.636 nan 8.380 nan 0.000 0.589 19 D N 0.310 120.600 120.400 -0.183 0.000 2.339 19 D HA 0.200 4.840 4.640 -0.000 0.000 0.245 19 D C 0.029 176.290 176.300 -0.065 0.000 1.115 19 D CA 0.165 54.127 54.000 -0.064 0.000 0.917 19 D CB 0.337 41.122 40.800 -0.025 0.000 1.192 19 D HN 0.175 nan 8.370 nan 0.000 0.428 20 N N 0.541 119.248 118.700 0.012 0.000 2.425 20 N HA 0.299 5.039 4.740 -0.000 0.000 0.268 20 N C -0.970 174.554 175.510 0.024 0.000 0.991 20 N CA -0.364 52.699 53.050 0.021 0.000 0.931 20 N CB 1.578 40.242 38.487 0.295 0.000 1.130 20 N HN 0.017 nan 8.380 nan 0.000 0.493 21 V N 0.490 120.346 119.914 -0.097 0.000 2.495 21 V HA 0.715 4.835 4.120 -0.000 0.000 0.298 21 V C 0.748 176.659 176.094 -0.305 0.000 1.031 21 V CA -1.001 61.149 62.300 -0.250 0.000 0.871 21 V CB 1.742 33.297 31.823 -0.446 0.000 0.988 21 V HN 0.658 nan 8.190 nan 0.000 0.432 22 G N 3.010 111.643 108.800 -0.278 0.000 2.379 22 G HA2 0.711 4.671 3.960 -0.000 0.000 0.327 22 G HA3 0.711 4.671 3.960 -0.000 0.000 0.327 22 G C -1.264 173.414 174.900 -0.369 0.000 1.145 22 G CA -0.293 44.749 45.100 -0.096 0.000 0.905 22 G HN 0.383 nan 8.290 nan 0.000 0.466 23 F N 0.962 120.969 119.950 0.094 0.000 2.492 23 F HA 0.553 5.080 4.527 0.000 0.000 0.327 23 F C 1.005 176.841 175.800 0.061 0.000 1.079 23 F CA -0.891 57.144 58.000 0.058 0.000 0.967 23 F CB 2.156 41.181 39.000 0.042 0.000 1.169 23 F HN 0.550 nan 8.300 nan 0.000 0.472 24 S N 0.874 116.702 115.700 0.213 0.000 2.634 24 S HA 0.820 5.290 4.470 -0.000 0.000 0.261 24 S C 0.244 174.933 174.600 0.149 0.000 1.271 24 S CA -0.044 58.239 58.200 0.138 0.000 0.985 24 S CB 1.085 64.330 63.200 0.074 0.000 0.968 24 S HN 1.766 nan 8.310 nan 0.000 0.568 25 G N -0.574 108.305 108.800 0.131 0.000 2.756 25 G HA2 0.113 4.073 3.960 -0.000 0.000 0.678 25 G HA3 0.113 4.073 3.960 -0.000 0.000 0.678 25 G C -1.105 173.941 174.900 0.243 0.000 1.349 25 G CA -0.301 44.889 45.100 0.149 0.000 0.847 25 G HN 1.506 nan 8.290 nan 0.000 0.548 26 F N 2.088 122.060 119.950 0.038 0.000 2.730 26 F HA 0.621 5.148 4.527 0.000 0.000 0.335 26 F C 0.569 176.382 175.800 0.022 0.000 1.212 26 F CA 1.467 59.486 58.000 0.032 0.000 1.016 26 F CB 1.526 40.540 39.000 0.023 0.000 1.290 26 F HN 2.327 nan 8.300 nan 0.000 0.495 27 T N 3.246 117.637 114.554 -0.273 0.000 0.541 27 T HA -0.150 4.200 4.350 -0.000 0.000 0.774 27 T C -2.405 172.266 174.700 -0.050 0.000 0.992 27 T CA -0.249 61.747 62.100 -0.173 0.000 4.077 27 T CB -1.567 67.235 68.868 -0.109 0.000 2.303 27 T HN 0.334 nan 8.240 nan 0.000 0.398 28 P HA -0.010 nan 4.420 nan 0.000 0.219 28 P C 1.032 178.342 177.300 0.017 0.000 1.153 28 P CA 2.250 65.343 63.100 -0.012 0.000 0.865 28 P CB -0.551 31.144 31.700 -0.008 0.000 0.788 29 A N -0.608 122.232 122.820 0.033 0.000 2.566 29 A HA 0.369 4.689 4.320 -0.000 0.000 0.245 29 A C 1.614 179.231 177.584 0.056 0.000 1.056 29 A CA 0.741 52.809 52.037 0.053 0.000 0.757 29 A CB -1.333 17.710 19.000 0.070 0.000 0.979 29 A HN 0.446 nan 8.150 nan 0.000 0.508 30 G N 2.235 111.044 108.800 0.014 0.000 2.179 30 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 30 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 30 G C 0.163 175.081 174.900 0.031 0.000 0.977 30 G CA 0.255 45.359 45.100 0.006 0.000 0.641 30 G HN 0.829 nan 8.290 nan 0.000 0.533 31 N N 1.462 120.184 118.700 0.038 0.000 2.492 31 N HA 0.441 5.181 4.740 -0.000 0.000 0.289 31 N C -2.530 173.013 175.510 0.054 0.000 1.133 31 N CA -1.192 51.891 53.050 0.056 0.000 0.961 31 N CB 1.962 40.465 38.487 0.026 0.000 1.186 31 N HN 0.106 nan 8.380 nan 0.000 0.493 32 P HA 0.144 nan 4.420 nan 0.000 0.271 32 P C -0.460 176.874 177.300 0.056 0.000 1.216 32 P CA 0.079 63.230 63.100 0.086 0.000 0.776 32 P CB 1.212 33.000 31.700 0.146 0.000 0.881 33 K N 1.507 121.936 120.400 0.049 0.000 2.450 33 K HA 0.139 4.459 4.320 -0.000 0.000 0.206 33 K C 1.271 177.888 176.600 0.029 0.000 1.148 33 K CA -0.012 56.294 56.287 0.031 0.000 1.014 33 K CB 0.631 33.153 32.500 0.037 0.000 0.966 33 K HN 0.147 nan 8.250 nan 0.000 0.566 34 V N 0.075 120.012 119.914 0.039 0.000 3.359 34 V HA 0.004 4.124 4.120 -0.000 0.000 0.245 34 V C 1.509 177.626 176.094 0.038 0.000 1.247 34 V CA 0.364 62.684 62.300 0.034 0.000 1.145 34 V CB 0.886 32.731 31.823 0.037 0.000 0.906 34 V HN -0.025 nan 8.190 nan 0.000 0.464 35 V N 2.423 122.369 119.914 0.054 0.000 2.323 35 V HA -0.026 4.094 4.120 -0.000 0.000 0.244 35 V C -0.017 176.120 176.094 0.072 0.000 1.041 35 V CA 2.395 64.733 62.300 0.063 0.000 1.025 35 V CB -1.655 30.212 31.823 0.073 0.000 0.656 35 V HN 0.514 nan 8.190 nan 0.000 0.451 36 P HA -0.193 nan 4.420 nan 0.000 0.217 36 P C 1.516 178.833 177.300 0.029 0.000 1.148 36 P CA 2.185 65.339 63.100 0.091 0.000 0.828 36 P CB -0.027 31.705 31.700 0.054 0.000 0.783 37 A N 0.383 123.209 122.820 0.010 0.000 1.968 37 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 37 A C 2.454 180.026 177.584 -0.020 0.000 1.169 37 A CA 1.698 53.728 52.037 -0.011 0.000 0.638 37 A CB -1.334 17.661 19.000 -0.010 0.000 0.812 37 A HN 0.230 nan 8.150 nan 0.000 0.446 38 A N -0.112 122.705 122.820 -0.006 0.000 2.014 38 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 38 A C 1.917 179.473 177.584 -0.047 0.000 1.163 38 A CA 1.322 53.349 52.037 -0.017 0.000 0.652 38 A CB -0.374 18.631 19.000 0.008 0.000 0.808 38 A HN 0.405 nan 8.150 nan 0.000 0.449 39 I N -0.067 120.486 120.570 -0.028 0.000 2.286 39 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 39 I C 2.905 178.917 176.117 -0.175 0.000 1.104 39 I CA 1.312 62.575 61.300 -0.061 0.000 1.397 39 I CB -1.672 36.357 38.000 0.049 0.000 1.072 39 I HN 0.343 nan 8.210 nan 0.000 0.417 40 A N 1.532 124.289 122.820 -0.105 0.000 1.883 40 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 40 A C 2.332 179.816 177.584 -0.166 0.000 1.186 40 A CA 1.535 53.501 52.037 -0.118 0.000 0.624 40 A CB -0.427 18.538 19.000 -0.058 0.000 0.822 40 A HN 0.273 nan 8.150 nan 0.000 0.444 41 K N -0.426 119.894 120.400 -0.132 0.000 2.001 41 K HA -0.215 4.105 4.320 -0.000 0.000 0.214 41 K C 2.193 178.669 176.600 -0.207 0.000 1.050 41 K CA 1.736 57.947 56.287 -0.127 0.000 0.934 41 K CB -0.580 31.867 32.500 -0.088 0.000 0.718 41 K HN 0.576 nan 8.250 nan 0.000 0.443 42 R N 0.827 121.173 120.500 -0.257 0.000 2.103 42 R HA -0.162 4.178 4.340 -0.000 0.000 0.242 42 R C 2.268 178.166 176.300 -0.670 0.000 1.142 42 R CA 1.599 57.483 56.100 -0.360 0.000 0.960 42 R CB -0.227 29.883 30.300 -0.318 0.000 0.858 42 R HN 0.259 nan 8.270 nan 0.000 0.439 43 A N 0.876 123.161 122.820 -0.891 0.000 1.873 43 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 43 A C 2.160 179.251 177.584 -0.822 0.000 1.186 43 A CA 1.331 52.655 52.037 -1.188 0.000 0.616 43 A CB -0.425 18.134 19.000 -0.734 0.000 0.823 43 A HN 0.355 nan 8.150 nan 0.000 0.442 44 I N -0.154 120.180 120.570 -0.392 0.000 2.226 44 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 44 I C 2.905 178.934 176.117 -0.146 0.000 1.100 44 I CA 1.033 62.251 61.300 -0.136 0.000 1.374 44 I CB -0.334 37.643 38.000 -0.038 0.000 1.057 44 I HN 0.352 nan 8.210 nan 0.000 0.413 45 A N 0.637 123.347 122.820 -0.184 0.000 2.019 45 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 45 A C 2.461 179.979 177.584 -0.110 0.000 1.164 45 A CA 1.789 53.755 52.037 -0.118 0.000 0.644 45 A CB -0.564 18.367 19.000 -0.114 0.000 0.805 45 A HN 0.457 nan 8.150 nan 0.000 0.449 46 A N -1.231 121.470 122.820 -0.200 0.000 1.935 46 A HA 0.000 4.320 4.320 -0.000 0.000 0.214 46 A C 1.997 179.556 177.584 -0.042 0.000 1.178 46 A CA 1.168 53.140 52.037 -0.109 0.000 0.640 46 A CB -0.712 18.249 19.000 -0.065 0.000 0.825 46 A HN 0.580 nan 8.150 nan 0.000 0.447 47 H N 0.912 119.982 119.070 0.001 0.000 2.267 47 H HA -0.147 4.409 4.556 0.000 0.000 0.297 47 H C 1.999 177.324 175.328 -0.005 0.000 1.080 47 H CA 1.756 57.806 56.048 0.003 0.000 1.278 47 H CB -0.717 29.044 29.762 -0.003 0.000 1.365 47 H HN 0.830 nan 8.280 nan 0.000 0.489 48 E N 1.244 121.517 120.200 0.122 0.000 2.510 48 E HA -0.145 4.205 4.350 -0.000 0.000 0.202 48 E C 1.697 178.318 176.600 0.035 0.000 1.072 48 E CA 0.877 57.313 56.400 0.059 0.000 0.883 48 E CB -0.050 29.671 29.700 0.035 0.000 0.818 48 E HN 0.335 nan 8.360 nan 0.000 0.548 49 K N 0.086 120.507 120.400 0.034 0.000 2.374 49 K HA 0.087 4.407 4.320 -0.000 0.000 0.196 49 K C 1.002 177.618 176.600 0.027 0.000 1.023 49 K CA 0.640 56.939 56.287 0.021 0.000 1.103 49 K CB 0.240 32.747 32.500 0.010 0.000 0.848 49 K HN 0.248 nan 8.250 nan 0.000 0.528 50 G N 0.742 109.568 108.800 0.043 0.000 2.175 50 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 50 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 50 G C -0.586 174.337 174.900 0.038 0.000 0.982 50 G CA 0.109 45.231 45.100 0.038 0.000 0.641 50 G HN 0.474 nan 8.290 nan 0.000 0.527 51 N N 2.320 121.047 118.700 0.045 0.000 2.473 51 N HA 0.520 5.260 4.740 -0.000 0.000 0.291 51 N C -2.501 173.034 175.510 0.041 0.000 1.083 51 N CA -1.427 51.638 53.050 0.025 0.000 0.951 51 N CB 1.948 40.450 38.487 0.026 0.000 1.164 51 N HN 0.145 nan 8.380 nan 0.000 0.480 52 P HA 0.162 nan 4.420 nan 0.000 0.275 52 P C -1.277 175.844 177.300 -0.297 0.000 1.228 52 P CA 0.076 63.068 63.100 -0.179 0.000 0.786 52 P CB 0.642 32.094 31.700 -0.413 0.000 0.927 53 F N 2.309 122.195 119.950 -0.107 0.000 3.240 53 F HA 0.378 4.905 4.527 -0.000 0.000 0.370 53 F C -1.080 174.911 175.800 0.318 0.000 1.271 53 F CA -0.405 57.636 58.000 0.069 0.000 1.224 53 F CB 1.250 40.144 39.000 -0.178 0.000 1.624 53 F HN 0.189 nan 8.300 nan 0.000 0.658 54 K N 7.042 127.783 120.400 0.569 0.000 2.525 54 K HA 0.687 5.007 4.320 -0.000 0.000 0.254 54 K C -1.175 175.482 176.600 0.094 0.000 0.934 54 K CA -0.903 55.594 56.287 0.350 0.000 0.802 54 K CB 3.225 35.890 32.500 0.274 0.000 1.295 54 K HN 0.571 nan 8.250 nan 0.000 0.433 55 I N -1.748 118.852 120.570 0.050 0.000 2.797 55 I HA 0.694 4.864 4.170 -0.000 0.000 0.307 55 I C 0.304 176.249 176.117 -0.287 0.000 1.033 55 I CA -0.821 60.423 61.300 -0.094 0.000 1.071 55 I CB 1.871 39.874 38.000 0.005 0.000 1.255 55 I HN 0.575 nan 8.210 nan 0.000 0.445 59 T N -1.383 113.382 114.554 0.352 0.000 2.831 59 T HA 0.690 5.040 4.350 -0.000 0.000 0.287 59 T C 0.705 175.547 174.700 0.236 0.000 1.070 59 T CA -0.160 62.116 62.100 0.294 0.000 1.010 59 T CB 1.647 70.623 68.868 0.180 0.000 1.264 59 T HN 0.613 nan 8.240 nan 0.000 0.532 60 G N 0.105 109.042 108.800 0.229 0.000 2.425 60 G HA2 0.464 4.424 3.960 -0.000 0.000 0.213 60 G HA3 0.464 4.424 3.960 -0.000 0.000 0.213 60 G C 0.638 175.675 174.900 0.229 0.000 1.201 60 G CA 0.760 46.050 45.100 0.316 0.000 0.799 60 G HN 1.261 nan 8.290 nan 0.000 0.534 61 A N -0.658 122.141 122.820 -0.035 0.000 3.972 61 A HA 0.670 4.990 4.320 -0.000 0.000 0.166 61 A C 0.523 178.095 177.584 -0.020 0.000 0.722 61 A CA 0.707 52.627 52.037 -0.195 0.000 1.045 61 A CB -0.245 18.119 19.000 -1.061 0.000 1.949 61 A HN 0.962 nan 8.150 nan 0.000 0.853 62 S N 0.069 115.757 115.700 -0.021 0.000 2.593 62 S HA 0.530 5.000 4.470 -0.000 0.000 0.269 62 S C 0.222 174.780 174.600 -0.071 0.000 1.334 62 S CA 0.576 58.787 58.200 0.018 0.000 1.015 62 S CB 0.615 63.855 63.200 0.066 0.000 0.912 62 S HN 1.794 nan 8.310 nan 0.000 0.541 63 T N -1.864 112.641 114.554 -0.083 0.000 2.887 63 T HA 0.750 5.100 4.350 -0.000 0.000 0.292 63 T C 0.549 175.195 174.700 -0.090 0.000 1.087 63 T CA -0.458 61.582 62.100 -0.100 0.000 1.009 63 T CB 0.909 69.674 68.868 -0.173 0.000 1.203 63 T HN 0.953 nan 8.240 nan 0.000 0.518 64 G N -0.431 108.322 108.800 -0.077 0.000 2.583 64 G HA2 0.455 4.415 3.960 -0.000 0.000 0.275 64 G HA3 0.455 4.415 3.960 -0.000 0.000 0.275 64 G C 1.129 175.982 174.900 -0.077 0.000 1.342 64 G CA -0.295 44.769 45.100 -0.061 0.000 1.030 64 G HN 1.235 nan 8.290 nan 0.000 0.520 65 A N -1.011 121.772 122.820 -0.061 0.000 2.169 65 A HA 0.112 4.431 4.320 -0.000 0.000 0.212 65 A C 2.074 179.619 177.584 -0.065 0.000 1.153 65 A CA 0.521 52.519 52.037 -0.065 0.000 0.756 65 A CB -0.058 18.913 19.000 -0.049 0.000 0.813 65 A HN 0.539 nan 8.150 nan 0.000 0.471 66 R N -0.786 119.679 120.500 -0.058 0.000 2.449 66 R HA 0.325 4.665 4.340 -0.000 0.000 0.262 66 R C 0.704 176.960 176.300 -0.075 0.000 1.006 66 R CA -0.112 55.957 56.100 -0.051 0.000 1.104 66 R CB 0.161 30.445 30.300 -0.028 0.000 1.206 66 R HN 0.381 nan 8.270 nan 0.000 0.538 67 L N -0.618 120.533 121.223 -0.119 0.000 3.609 67 L HA 0.212 4.552 4.340 -0.000 0.000 0.177 67 L C 0.752 177.491 176.870 -0.217 0.000 1.172 67 L CA 1.041 55.758 54.840 -0.205 0.000 0.849 67 L CB -0.453 41.443 42.059 -0.271 0.000 1.539 67 L HN -0.079 nan 8.230 nan 0.000 0.623 68 D N 0.314 120.582 120.400 -0.221 0.000 2.117 68 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 68 D C 1.795 178.013 176.300 -0.137 0.000 0.987 68 D CA 1.530 55.415 54.000 -0.192 0.000 0.829 68 D CB -0.030 40.657 40.800 -0.188 0.000 0.961 68 D HN 0.569 nan 8.370 nan 0.000 0.460 69 G N 1.046 109.776 108.800 -0.118 0.000 2.545 69 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 69 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 69 G C 1.786 176.642 174.900 -0.073 0.000 1.218 69 G CA 1.039 46.085 45.100 -0.090 0.000 0.787 69 G HN 0.292 nan 8.290 nan 0.000 0.571 70 V N 0.201 120.075 119.914 -0.068 0.000 2.332 70 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 70 V C 2.845 178.912 176.094 -0.045 0.000 1.055 70 V CA 1.726 63.995 62.300 -0.052 0.000 1.038 70 V CB -0.280 31.515 31.823 -0.047 0.000 0.651 70 V HN 0.236 nan 8.190 nan 0.000 0.450 71 L N 0.277 121.465 121.223 -0.058 0.000 2.093 71 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 71 L C 2.652 179.508 176.870 -0.023 0.000 1.085 71 L CA 2.320 57.139 54.840 -0.035 0.000 0.755 71 L CB -1.628 40.396 42.059 -0.058 0.000 0.904 71 L HN 0.405 nan 8.230 nan 0.000 0.435 72 A N -1.335 121.454 122.820 -0.051 0.000 1.897 72 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 72 A C 2.142 179.705 177.584 -0.034 0.000 1.181 72 A CA 1.162 53.170 52.037 -0.049 0.000 0.620 72 A CB -0.381 18.572 19.000 -0.079 0.000 0.821 72 A HN 0.524 nan 8.150 nan 0.000 0.443 73 Q N -0.600 119.178 119.800 -0.036 0.000 2.226 73 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 73 Q C 2.077 178.072 176.000 -0.008 0.000 0.975 73 Q CA 1.152 56.938 55.803 -0.028 0.000 0.866 73 Q CB -0.325 28.395 28.738 -0.030 0.000 0.915 73 Q HN 0.669 nan 8.270 nan 0.000 0.440 74 A N 1.059 123.883 122.820 0.008 0.000 2.208 74 A HA -0.074 4.246 4.320 -0.000 0.000 0.209 74 A C 0.411 178.057 177.584 0.104 0.000 1.161 74 A CA 0.641 52.710 52.037 0.054 0.000 0.782 74 A CB 0.008 19.030 19.000 0.037 0.000 0.816 74 A HN 0.393 nan 8.150 nan 0.000 0.477 75 D N -2.347 118.077 120.400 0.040 0.000 2.689 75 D HA -0.184 4.456 4.640 -0.000 0.000 0.237 75 D C 0.335 176.704 176.300 0.115 0.000 1.148 75 D CA 0.982 54.988 54.000 0.011 0.000 0.656 75 D CB -1.319 39.423 40.800 -0.097 0.000 1.050 75 D HN 0.568 nan 8.370 nan 0.000 0.426 76 A N -0.032 122.889 122.820 0.168 0.000 2.676 76 A HA 0.493 4.813 4.320 -0.000 0.000 0.297 76 A C 0.143 177.825 177.584 0.162 0.000 1.132 76 A CA -0.211 51.984 52.037 0.264 0.000 0.972 76 A CB 0.820 19.995 19.000 0.291 0.000 1.197 76 A HN 0.187 nan 8.150 nan 0.000 0.524 77 V N 1.819 121.785 119.914 0.086 0.000 2.294 77 V HA 0.110 4.230 4.120 -0.000 0.000 0.272 77 V C 1.278 177.396 176.094 0.040 0.000 1.027 77 V CA -0.095 62.220 62.300 0.024 0.000 0.823 77 V CB 0.708 32.527 31.823 -0.007 0.000 1.030 77 V HN 0.759 nan 8.190 nan 0.000 0.457 78 K N 4.775 125.180 120.400 0.009 0.000 2.116 78 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 78 K C 0.328 177.040 176.600 0.187 0.000 1.052 78 K CA 1.008 57.345 56.287 0.082 0.000 0.952 78 K CB 0.276 32.818 32.500 0.069 0.000 0.729 78 K HN 0.542 nan 8.250 nan 0.000 0.446 79 F N -0.876 119.102 119.950 0.046 0.000 2.703 79 F HA 0.631 5.158 4.527 -0.000 0.000 0.308 79 F C -1.640 174.141 175.800 -0.032 0.000 1.126 79 F CA -1.641 56.401 58.000 0.071 0.000 0.959 79 F CB 1.266 40.358 39.000 0.153 0.000 1.297 79 F HN -0.131 nan 8.300 nan 0.000 0.441 80 R N 1.331 121.994 120.500 0.273 0.000 2.686 80 R HA 0.892 5.232 4.340 -0.000 0.000 0.283 80 R C -1.799 174.396 176.300 -0.176 0.000 0.978 80 R CA -0.149 55.986 56.100 0.058 0.000 0.897 80 R CB 2.218 32.581 30.300 0.106 0.000 1.192 80 R HN 1.030 nan 8.270 nan 0.000 0.457 81 T N 3.507 117.937 114.554 -0.207 0.000 2.885 81 T HA 0.425 4.775 4.350 -0.000 0.000 0.322 81 T C -2.587 172.098 174.700 -0.025 0.000 1.387 81 T CA -1.044 60.835 62.100 -0.368 0.000 1.041 81 T CB 2.236 70.715 68.868 -0.648 0.000 1.287 81 T HN 0.524 nan 8.240 nan 0.000 0.491 82 P HA 0.258 nan 4.420 nan 0.000 0.286 82 P C -0.730 176.647 177.300 0.128 0.000 1.269 82 P CA 0.162 63.237 63.100 -0.040 0.000 0.908 82 P CB 0.743 32.472 31.700 0.048 0.000 1.395 83 Y N 1.385 121.742 120.300 0.095 0.000 2.479 83 Y HA 0.507 5.058 4.550 0.000 0.000 0.338 83 Y C -1.286 174.661 175.900 0.078 0.000 1.055 83 Y CA -0.626 57.560 58.100 0.143 0.000 1.023 83 Y CB 1.779 40.271 38.460 0.053 0.000 1.287 83 Y HN -0.221 nan 8.280 nan 0.000 0.447 84 Q N 1.879 121.464 119.800 -0.359 0.000 2.544 84 Q HA 0.695 5.035 4.340 -0.000 0.000 0.291 84 Q C -1.329 174.367 176.000 -0.507 0.000 1.068 84 Q CA -0.855 54.742 55.803 -0.343 0.000 0.785 84 Q CB 1.995 30.492 28.738 -0.402 0.000 1.481 84 Q HN 0.451 nan 8.270 nan 0.000 0.430 85 S N 0.756 116.287 115.700 -0.282 0.000 2.745 85 S HA 0.269 4.739 4.470 -0.000 0.000 0.232 85 S C -1.484 173.025 174.600 -0.152 0.000 0.804 85 S CA -0.509 57.565 58.200 -0.211 0.000 1.071 85 S CB -0.513 62.648 63.200 -0.065 0.000 1.480 85 S HN 0.672 nan 8.310 nan 0.000 0.467 86 N N 1.884 120.475 118.700 -0.182 0.000 2.314 86 N HA 0.278 5.018 4.740 -0.000 0.000 0.294 86 N C 1.079 176.501 175.510 -0.148 0.000 1.029 86 N CA -0.496 52.469 53.050 -0.143 0.000 0.845 86 N CB 1.610 40.013 38.487 -0.141 0.000 1.321 86 N HN 0.420 nan 8.380 nan 0.000 0.481 87 K N 2.787 123.120 120.400 -0.113 0.000 2.103 87 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 87 K C 0.281 176.818 176.600 -0.106 0.000 1.048 87 K CA 1.269 57.493 56.287 -0.104 0.000 0.930 87 K CB -0.005 32.449 32.500 -0.077 0.000 0.716 87 K HN 0.463 nan 8.250 nan 0.000 0.444 88 D N 1.288 121.629 120.400 -0.098 0.000 2.097 88 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 88 D C 2.062 178.296 176.300 -0.110 0.000 0.984 88 D CA 0.946 54.892 54.000 -0.090 0.000 0.826 88 D CB -0.146 40.607 40.800 -0.077 0.000 0.973 88 D HN 0.160 nan 8.370 nan 0.000 0.460 89 L N 1.386 122.526 121.223 -0.138 0.000 2.093 89 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 89 L C 2.340 179.084 176.870 -0.209 0.000 1.085 89 L CA 1.488 56.226 54.840 -0.169 0.000 0.755 89 L CB -0.484 41.451 42.059 -0.206 0.000 0.904 89 L HN -0.166 nan 8.230 nan 0.000 0.435 90 R N -0.428 119.938 120.500 -0.225 0.000 2.091 90 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 90 R C 2.051 178.246 176.300 -0.176 0.000 1.136 90 R CA 2.135 58.089 56.100 -0.243 0.000 0.959 90 R CB -0.333 29.834 30.300 -0.222 0.000 0.856 90 R HN 0.600 nan 8.270 nan 0.000 0.437 91 N N -0.035 118.586 118.700 -0.132 0.000 2.171 91 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 91 N C 1.691 177.151 175.510 -0.084 0.000 1.021 91 N CA 0.821 53.813 53.050 -0.097 0.000 0.854 91 N CB -0.096 38.345 38.487 -0.078 0.000 0.994 91 N HN 0.082 nan 8.380 nan 0.000 0.426 92 L N 1.649 122.819 121.223 -0.087 0.000 2.042 92 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 92 L C 1.787 178.622 176.870 -0.058 0.000 1.076 92 L CA 1.462 56.263 54.840 -0.066 0.000 0.749 92 L CB -0.352 41.666 42.059 -0.068 0.000 0.893 92 L HN 0.199 nan 8.230 nan 0.000 0.432 93 I N -0.560 119.955 120.570 -0.091 0.000 2.133 93 I HA -0.318 3.852 4.170 -0.000 0.000 0.238 93 I C 1.962 178.052 176.117 -0.046 0.000 1.074 93 I CA 1.893 63.150 61.300 -0.071 0.000 1.342 93 I CB -0.495 37.406 38.000 -0.166 0.000 1.053 93 I HN 0.331 nan 8.210 nan 0.000 0.404 94 N N 0.684 119.337 118.700 -0.078 0.000 2.443 94 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 94 N C 0.995 176.483 175.510 -0.036 0.000 1.037 94 N CA 0.775 53.788 53.050 -0.061 0.000 0.896 94 N CB -0.217 38.218 38.487 -0.086 0.000 0.959 94 N HN 0.400 nan 8.380 nan 0.000 0.442 95 N N -0.328 118.351 118.700 -0.034 0.000 2.322 95 N HA 0.085 4.825 4.740 -0.000 0.000 0.194 95 N C 0.467 175.972 175.510 -0.008 0.000 1.126 95 N CA 0.006 53.043 53.050 -0.023 0.000 0.845 95 N CB 0.620 39.090 38.487 -0.028 0.000 0.976 95 N HN 0.128 nan 8.380 nan 0.000 0.475 96 G N 0.708 109.508 108.800 0.001 0.000 2.249 96 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 96 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 96 G C 0.663 175.576 174.900 0.021 0.000 1.036 96 G CA 0.627 45.739 45.100 0.020 0.000 0.824 96 G HN 0.357 nan 8.290 nan 0.000 0.504 97 S N -1.277 114.430 115.700 0.012 0.000 2.575 97 S HA 0.408 4.878 4.470 -0.000 0.000 0.215 97 S C 0.829 175.446 174.600 0.030 0.000 0.966 97 S CA 0.982 59.188 58.200 0.011 0.000 0.911 97 S CB 0.821 64.015 63.200 -0.009 0.000 0.780 97 S HN 1.043 nan 8.310 nan 0.000 0.514 98 T N 0.399 114.983 114.554 0.050 0.000 2.769 98 T HA 0.391 4.741 4.350 -0.000 0.000 0.306 98 T C -1.667 173.114 174.700 0.135 0.000 1.400 98 T CA -0.491 61.660 62.100 0.086 0.000 1.007 98 T CB 1.598 70.506 68.868 0.067 0.000 1.392 98 T HN -0.086 nan 8.240 nan 0.000 0.500 99 S N 2.070 117.889 115.700 0.199 0.000 2.438 99 S HA 0.603 5.073 4.470 -0.000 0.000 0.293 99 S C -1.561 173.268 174.600 0.383 0.000 1.141 99 S CA -0.446 57.917 58.200 0.272 0.000 1.080 99 S CB 0.332 63.702 63.200 0.284 0.000 0.978 99 S HN 0.539 nan 8.310 nan 0.000 0.479 100 Y N 4.252 124.676 120.300 0.207 0.000 2.442 100 Y HA 0.671 5.221 4.550 -0.000 0.000 0.344 100 Y C -1.715 174.333 175.900 0.248 0.000 0.976 100 Y CA -1.856 56.318 58.100 0.123 0.000 1.040 100 Y CB 0.962 39.423 38.460 0.001 0.000 1.228 100 Y HN 0.616 nan 8.280 nan 0.000 0.451 101 F N 4.014 123.583 119.950 -0.635 0.000 2.617 101 F HA 0.450 4.977 4.527 -0.000 0.000 0.325 101 F C -1.390 173.994 175.800 -0.692 0.000 1.179 101 F CA -1.655 56.024 58.000 -0.535 0.000 0.965 101 F CB 0.732 39.607 39.000 -0.208 0.000 1.232 101 F HN 0.388 nan 8.300 nan 0.000 0.461 102 D N 4.278 124.318 120.400 -0.600 0.000 2.256 102 D HA 0.532 5.172 4.640 -0.000 0.000 0.250 102 D C -0.435 175.812 176.300 -0.088 0.000 1.093 102 D CA -0.133 53.668 54.000 -0.332 0.000 0.882 102 D CB 2.140 42.886 40.800 -0.090 0.000 1.185 102 D HN 0.656 nan 8.370 nan 0.000 0.437 103 L N 0.577 121.785 121.223 -0.024 0.000 2.279 103 L HA 0.301 4.641 4.340 -0.000 0.000 0.262 103 L C 0.324 177.219 176.870 0.042 0.000 1.019 103 L CA -1.333 53.514 54.840 0.012 0.000 0.823 103 L CB 1.582 43.710 42.059 0.114 0.000 1.358 103 L HN 0.321 nan 8.230 nan 0.000 0.432 104 H N 2.466 121.628 119.070 0.154 0.000 2.975 104 H HA 0.107 4.663 4.556 -0.000 0.000 0.303 104 H C 0.961 176.367 175.328 0.129 0.000 1.023 104 H CA 0.127 56.260 56.048 0.141 0.000 1.473 104 H CB 1.075 30.905 29.762 0.113 0.000 1.498 104 H HN 0.508 nan 8.280 nan 0.000 0.549 105 L N 2.526 123.897 121.223 0.248 0.000 2.081 105 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 105 L C 2.427 179.377 176.870 0.133 0.000 1.080 105 L CA 1.847 56.809 54.840 0.203 0.000 0.754 105 L CB -0.565 41.644 42.059 0.250 0.000 0.893 105 L HN 0.553 nan 8.230 nan 0.000 0.433 106 S N -1.296 114.452 115.700 0.079 0.000 2.469 106 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 106 S C 1.824 176.423 174.600 -0.001 0.000 0.998 106 S CA 1.276 59.472 58.200 -0.007 0.000 0.957 106 S CB -0.662 62.488 63.200 -0.082 0.000 0.764 106 S HN 0.624 nan 8.310 nan 0.000 0.514 107 T N -1.207 113.392 114.554 0.075 0.000 3.037 107 T HA 0.248 4.598 4.350 -0.000 0.000 0.251 107 T C 1.524 176.273 174.700 0.082 0.000 1.079 107 T CA 0.311 62.457 62.100 0.077 0.000 1.067 107 T CB -0.365 68.606 68.868 0.171 0.000 0.948 107 T HN 0.236 nan 8.240 nan 0.000 0.496 108 L N 2.156 123.446 121.223 0.111 0.000 2.042 108 L HA 0.196 4.536 4.340 -0.000 0.000 0.210 108 L C 2.778 179.663 176.870 0.026 0.000 1.076 108 L CA 1.907 56.822 54.840 0.125 0.000 0.749 108 L CB -1.280 40.842 42.059 0.105 0.000 0.893 108 L HN 0.352 nan 8.230 nan 0.000 0.432 109 A N -0.277 122.521 122.820 -0.037 0.000 1.851 109 A HA -0.310 4.010 4.320 -0.000 0.000 0.216 109 A C 2.164 179.615 177.584 -0.222 0.000 1.195 109 A CA 2.106 54.082 52.037 -0.101 0.000 0.622 109 A CB -0.876 18.078 19.000 -0.077 0.000 0.831 109 A HN 0.751 nan 8.150 nan 0.000 0.444 110 Q N -1.021 118.580 119.800 -0.332 0.000 2.167 110 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 110 Q C 1.018 176.347 176.000 -1.119 0.000 0.970 110 Q CA 1.606 56.991 55.803 -0.698 0.000 0.855 110 Q CB -0.493 27.810 28.738 -0.724 0.000 0.911 110 Q HN 0.480 nan 8.270 nan 0.000 0.438 111 D N 0.814 120.823 120.400 -0.652 0.000 2.264 111 D HA -0.025 4.615 4.640 -0.000 0.000 0.208 111 D C 1.778 177.853 176.300 -0.375 0.000 0.966 111 D CA 0.651 54.316 54.000 -0.559 0.000 0.864 111 D CB 0.045 40.892 40.800 0.079 0.000 0.933 111 D HN 0.241 nan 8.370 nan 0.000 0.499 112 L N 0.129 121.239 121.223 -0.187 0.000 2.072 112 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 112 L C 2.437 179.198 176.870 -0.181 0.000 1.079 112 L CA 0.895 55.668 54.840 -0.111 0.000 0.752 112 L CB -0.026 41.933 42.059 -0.167 0.000 0.906 112 L HN -0.062 nan 8.230 nan 0.000 0.436 113 R N -1.080 119.265 120.500 -0.258 0.000 2.096 113 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 113 R C 2.109 178.360 176.300 -0.082 0.000 1.127 113 R CA 1.127 57.125 56.100 -0.170 0.000 0.968 113 R CB -0.357 29.835 30.300 -0.180 0.000 0.861 113 R HN 0.293 nan 8.270 nan 0.000 0.440 114 Y N -0.005 120.063 120.300 -0.388 0.000 2.497 114 Y HA 0.029 4.579 4.550 -0.000 0.000 0.292 114 Y C 1.886 177.564 175.900 -0.369 0.000 1.137 114 Y CA 0.814 58.585 58.100 -0.549 0.000 1.285 114 Y CB -0.592 37.094 38.460 -1.290 0.000 0.991 114 Y HN 0.374 nan 8.280 nan 0.000 0.556 115 G N -1.676 107.062 108.800 -0.104 0.000 2.141 115 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.242 115 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.242 115 G C 0.825 175.805 174.900 0.133 0.000 0.982 115 G CA 0.256 45.373 45.100 0.028 0.000 0.662 115 G HN 0.230 nan 8.290 nan 0.000 0.527 116 F N 0.068 119.919 119.950 -0.165 0.000 2.161 116 F HA 0.175 4.702 4.527 -0.000 0.000 0.300 116 F C 1.443 176.940 175.800 -0.504 0.000 1.089 116 F CA 0.225 57.983 58.000 -0.403 0.000 1.282 116 F CB -0.667 37.949 39.000 -0.640 0.000 1.010 116 F HN 0.364 nan 8.300 nan 0.000 0.485 117 Y N -0.835 119.619 120.300 0.257 0.000 2.393 117 Y HA 0.547 5.097 4.550 -0.000 0.000 0.341 117 Y C 1.217 177.244 175.900 0.212 0.000 0.988 117 Y CA -1.020 57.225 58.100 0.242 0.000 1.078 117 Y CB 0.529 39.221 38.460 0.386 0.000 1.203 117 Y HN 0.003 nan 8.280 nan 0.000 0.453 118 G N 2.586 111.599 108.800 0.355 0.000 1.858 118 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.773 118 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.773 118 G C -0.159 174.882 174.900 0.235 0.000 1.229 118 G CA 0.073 45.333 45.100 0.267 0.000 1.133 118 G HN 0.574 nan 8.290 nan 0.000 0.525 119 K N -1.189 119.352 120.400 0.235 0.000 2.123 119 K HA 0.503 4.823 4.320 -0.000 0.000 0.248 119 K C -1.091 175.650 176.600 0.236 0.000 0.969 119 K CA -0.628 55.763 56.287 0.173 0.000 0.882 119 K CB 1.680 34.256 32.500 0.126 0.000 1.080 119 K HN 0.114 nan 8.250 nan 0.000 0.441 120 V N 4.292 124.291 119.914 0.142 0.000 2.328 120 V HA 0.083 4.203 4.120 -0.000 0.000 0.278 120 V C 0.530 176.679 176.094 0.091 0.000 1.021 120 V CA -0.512 61.876 62.300 0.147 0.000 0.838 120 V CB 1.192 33.039 31.823 0.040 0.000 0.999 120 V HN 0.857 nan 8.190 nan 0.000 0.447 121 D N 2.561 123.017 120.400 0.093 0.000 2.120 121 D HA 0.002 4.642 4.640 -0.000 0.000 0.202 121 D C 0.621 176.939 176.300 0.030 0.000 0.972 121 D CA 1.478 55.515 54.000 0.062 0.000 0.837 121 D CB 0.989 41.829 40.800 0.067 0.000 0.989 121 D HN 0.451 nan 8.370 nan 0.000 0.469 122 V N -1.114 118.795 119.914 -0.007 0.000 3.007 122 V HA 0.720 4.840 4.120 -0.000 0.000 0.311 122 V C -1.898 174.125 176.094 -0.117 0.000 1.120 122 V CA -0.778 61.492 62.300 -0.051 0.000 0.980 122 V CB 2.170 33.967 31.823 -0.045 0.000 1.033 122 V HN 0.070 nan 8.190 nan 0.000 0.429 123 A N 6.303 129.049 122.820 -0.123 0.000 2.319 123 A HA 0.840 5.160 4.320 -0.000 0.000 0.310 123 A C -0.912 176.583 177.584 -0.149 0.000 1.152 123 A CA -0.642 51.305 52.037 -0.151 0.000 0.783 123 A CB 0.897 19.845 19.000 -0.086 0.000 1.184 123 A HN 0.802 nan 8.150 nan 0.000 0.474 124 I N 4.341 124.795 120.570 -0.193 0.000 2.321 124 I HA 0.456 4.626 4.170 -0.000 0.000 0.291 124 I C -0.016 176.105 176.117 0.007 0.000 0.998 124 I CA -0.241 61.016 61.300 -0.073 0.000 1.227 124 I CB 0.519 38.523 38.000 0.006 0.000 1.368 124 I HN 0.686 nan 8.210 nan 0.000 0.466 125 I N 1.959 122.531 120.570 0.003 0.000 2.828 125 I HA 0.621 4.791 4.170 -0.000 0.000 0.302 125 I C -0.525 175.600 176.117 0.014 0.000 1.101 125 I CA -0.828 60.483 61.300 0.018 0.000 1.031 125 I CB 2.758 40.751 38.000 -0.010 0.000 1.231 125 I HN 0.557 nan 8.210 nan 0.000 0.427 126 E N 3.897 124.107 120.200 0.016 0.000 2.191 126 E HA 0.659 5.009 4.350 -0.000 0.000 0.278 126 E C -1.642 174.942 176.600 -0.026 0.000 0.972 126 E CA -0.663 55.738 56.400 0.002 0.000 0.804 126 E CB 2.058 31.757 29.700 -0.002 0.000 1.110 126 E HN 0.596 nan 8.360 nan 0.000 0.394 127 V N 2.779 122.682 119.914 -0.017 0.000 3.040 127 V HA 0.466 4.586 4.120 -0.000 0.000 0.312 127 V C 0.372 176.469 176.094 0.005 0.000 1.115 127 V CA -0.189 62.096 62.300 -0.024 0.000 0.998 127 V CB 1.701 33.510 31.823 -0.023 0.000 1.042 127 V HN 0.895 nan 8.190 nan 0.000 0.433 128 A N 1.400 124.224 122.820 0.006 0.000 2.169 128 A HA 0.441 4.761 4.320 -0.000 0.000 0.210 128 A C 0.304 177.908 177.584 0.033 0.000 1.168 128 A CA 0.899 52.963 52.037 0.045 0.000 0.813 128 A CB -0.026 19.009 19.000 0.059 0.000 0.861 128 A HN 0.880 nan 8.150 nan 0.000 0.481 129 D N -2.394 118.015 120.400 0.015 0.000 2.746 129 D HA 0.301 4.941 4.640 -0.000 0.000 0.211 129 D C -1.812 174.483 176.300 -0.008 0.000 1.242 129 D CA -0.068 53.939 54.000 0.012 0.000 0.790 129 D CB 1.709 42.514 40.800 0.008 0.000 1.744 129 D HN 0.167 nan 8.370 nan 0.000 0.520 130 V N 3.757 123.668 119.914 -0.006 0.000 2.443 130 V HA 0.628 4.748 4.120 -0.000 0.000 0.293 130 V C -0.366 175.710 176.094 -0.030 0.000 1.021 130 V CA -0.068 62.213 62.300 -0.031 0.000 0.848 130 V CB 1.489 33.282 31.823 -0.051 0.000 0.998 130 V HN 0.695 nan 8.190 nan 0.000 0.424 131 T N 4.435 118.955 114.554 -0.056 0.000 2.828 131 T HA 0.156 4.506 4.350 -0.000 0.000 0.290 131 T C 0.976 175.648 174.700 -0.048 0.000 1.019 131 T CA 0.019 62.084 62.100 -0.058 0.000 1.031 131 T CB 1.378 70.183 68.868 -0.106 0.000 1.001 131 T HN 0.883 nan 8.240 nan 0.000 0.531 132 E N 0.971 121.151 120.200 -0.032 0.000 2.208 132 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 132 E C 1.251 177.829 176.600 -0.036 0.000 0.988 132 E CA 0.849 57.234 56.400 -0.025 0.000 0.828 132 E CB -0.005 29.692 29.700 -0.006 0.000 0.763 132 E HN 0.661 nan 8.360 nan 0.000 0.478 133 D N -1.307 119.064 120.400 -0.047 0.000 2.370 133 D HA 0.113 4.753 4.640 -0.000 0.000 0.230 133 D C 0.811 177.081 176.300 -0.050 0.000 1.143 133 D CA 0.468 54.440 54.000 -0.046 0.000 0.834 133 D CB -0.247 40.523 40.800 -0.050 0.000 0.944 133 D HN 0.181 nan 8.370 nan 0.000 0.504 134 G N 0.581 109.348 108.800 -0.055 0.000 2.182 134 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 134 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 134 G C -0.143 174.728 174.900 -0.047 0.000 1.042 134 G CA -0.181 44.889 45.100 -0.049 0.000 0.775 134 G HN 0.432 nan 8.290 nan 0.000 0.501 135 K N -0.258 120.088 120.400 -0.091 0.000 2.234 135 K HA 0.584 4.904 4.320 -0.000 0.000 0.277 135 K C -0.202 176.361 176.600 -0.060 0.000 1.038 135 K CA -0.737 55.477 56.287 -0.121 0.000 0.888 135 K CB 1.220 33.494 32.500 -0.376 0.000 1.091 135 K HN 0.129 nan 8.250 nan 0.000 0.467 136 I N 3.557 124.137 120.570 0.017 0.000 2.377 136 I HA 0.201 4.371 4.170 -0.000 0.000 0.293 136 I C -0.797 175.326 176.117 0.010 0.000 0.987 136 I CA -0.677 60.622 61.300 -0.001 0.000 1.185 136 I CB 1.325 39.317 38.000 -0.013 0.000 1.341 136 I HN 0.361 nan 8.210 nan 0.000 0.455 137 L N 9.892 131.096 121.223 -0.030 0.000 2.294 137 L HA 0.679 5.019 4.340 -0.000 0.000 0.283 137 L C -2.492 174.286 176.870 -0.153 0.000 1.015 137 L CA -1.913 52.885 54.840 -0.071 0.000 0.831 137 L CB 0.958 43.017 42.059 0.001 0.000 1.217 137 L HN 0.314 nan 8.230 nan 0.000 0.420 138 P HA 0.318 nan 4.420 nan 0.000 0.274 138 P C -0.105 177.102 177.300 -0.155 0.000 1.260 138 P CA -0.194 62.731 63.100 -0.290 0.000 0.793 138 P CB 0.507 31.959 31.700 -0.413 0.000 1.048 139 T N -3.507 111.010 114.554 -0.061 0.000 2.507 139 T HA 0.074 4.424 4.350 -0.000 0.000 0.180 139 T C 1.285 176.061 174.700 0.127 0.000 0.681 139 T CA 0.984 63.050 62.100 -0.058 0.000 1.959 139 T CB -1.353 67.243 68.868 -0.454 0.000 2.896 139 T HN 0.429 nan 8.240 nan 0.000 0.391 140 T N -1.308 113.251 114.554 0.010 0.000 3.086 140 T HA 0.510 4.860 4.350 -0.000 0.000 0.250 140 T C 0.680 175.444 174.700 0.106 0.000 1.074 140 T CA -0.043 62.117 62.100 0.100 0.000 0.988 140 T CB -0.208 68.722 68.868 0.102 0.000 0.988 140 T HN 0.882 nan 8.240 nan 0.000 0.530 141 G N -0.290 108.576 108.800 0.110 0.000 2.701 141 G HA2 0.537 4.497 3.960 -0.000 0.000 0.300 141 G HA3 0.537 4.497 3.960 -0.000 0.000 0.300 141 G C -0.043 174.934 174.900 0.130 0.000 1.410 141 G CA -0.553 44.635 45.100 0.146 0.000 1.014 141 G HN 0.030 nan 8.290 nan 0.000 0.509 142 V N 1.897 121.878 119.914 0.111 0.000 2.627 142 V HA 0.396 4.515 4.120 -0.000 0.000 0.239 142 V C 2.454 178.602 176.094 0.091 0.000 1.077 142 V CA 1.886 64.228 62.300 0.069 0.000 1.103 142 V CB -0.909 30.932 31.823 0.031 0.000 0.802 142 V HN 1.612 nan 8.190 nan 0.000 0.482 143 G N 1.900 110.754 108.800 0.090 0.000 2.634 143 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.318 143 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.318 143 G C 0.701 175.667 174.900 0.109 0.000 1.207 143 G CA 0.834 46.049 45.100 0.191 0.000 0.987 143 G HN 1.095 nan 8.290 nan 0.000 0.547 144 I N -0.529 120.117 120.570 0.127 0.000 3.877 144 I HA 0.602 4.772 4.170 -0.000 0.000 0.332 144 I C 1.906 178.054 176.117 0.052 0.000 1.525 144 I CA 0.185 61.532 61.300 0.077 0.000 1.146 144 I CB 0.298 38.346 38.000 0.079 0.000 1.137 144 I HN 0.490 nan 8.210 nan 0.000 0.424 145 L N 3.609 124.864 121.223 0.053 0.000 1.976 145 L HA -0.100 4.240 4.340 -0.000 0.000 0.223 145 L C -0.465 176.408 176.870 0.006 0.000 1.081 145 L CA 2.798 57.654 54.840 0.027 0.000 0.784 145 L CB -1.535 40.530 42.059 0.011 0.000 0.896 145 L HN 0.219 nan 8.230 nan 0.000 0.438 146 P HA -0.146 nan 4.420 nan 0.000 0.217 146 P C 1.424 178.718 177.300 -0.009 0.000 1.148 146 P CA 2.123 65.220 63.100 -0.005 0.000 0.828 146 P CB -0.277 31.421 31.700 -0.002 0.000 0.783 147 T N 1.173 115.721 114.554 -0.011 0.000 2.851 147 T HA -0.041 4.309 4.350 -0.000 0.000 0.262 147 T C 1.967 176.642 174.700 -0.042 0.000 1.043 147 T CA 1.230 63.310 62.100 -0.034 0.000 1.140 147 T CB -0.752 68.085 68.868 -0.051 0.000 0.872 147 T HN 0.244 nan 8.240 nan 0.000 0.446 148 I N -0.444 120.107 120.570 -0.031 0.000 2.394 148 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 148 I C 2.243 178.341 176.117 -0.032 0.000 1.136 148 I CA 0.965 62.245 61.300 -0.034 0.000 1.425 148 I CB -1.013 36.979 38.000 -0.013 0.000 1.079 148 I HN 0.182 nan 8.210 nan 0.000 0.425 149 C N 0.962 120.247 119.300 -0.025 0.000 2.450 149 C HA -0.024 4.436 4.460 -0.000 0.000 0.279 149 C C 3.010 177.986 174.990 -0.023 0.000 1.335 149 C CA 0.780 59.782 59.018 -0.026 0.000 1.749 149 C CB -1.204 26.523 27.740 -0.021 0.000 1.963 149 C HN 0.548 nan 8.230 nan 0.000 0.501 150 R N 0.371 120.858 120.500 -0.021 0.000 2.062 150 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 150 R C 1.750 178.039 176.300 -0.019 0.000 1.125 150 R CA 1.347 57.436 56.100 -0.018 0.000 0.966 150 R CB -0.246 30.043 30.300 -0.018 0.000 0.861 150 R HN 0.302 nan 8.270 nan 0.000 0.433 151 L N 1.056 122.262 121.223 -0.028 0.000 2.270 151 L HA 0.212 4.552 4.340 -0.000 0.000 0.210 151 L C 0.965 177.828 176.870 -0.012 0.000 1.104 151 L CA 0.827 55.652 54.840 -0.024 0.000 0.804 151 L CB -0.850 41.181 42.059 -0.046 0.000 0.937 151 L HN 0.123 nan 8.230 nan 0.000 0.450 152 A N -0.458 122.353 122.820 -0.016 0.000 2.462 152 A HA 0.093 4.413 4.320 -0.000 0.000 0.243 152 A C 1.053 178.635 177.584 -0.004 0.000 1.076 152 A CA -0.187 51.845 52.037 -0.009 0.000 0.773 152 A CB 0.087 19.071 19.000 -0.028 0.000 1.010 152 A HN 0.227 nan 8.150 nan 0.000 0.493 153 D N 0.439 120.846 120.400 0.011 0.000 2.149 153 D HA -0.019 4.621 4.640 -0.000 0.000 0.201 153 D C 0.783 177.087 176.300 0.005 0.000 0.972 153 D CA 1.474 55.484 54.000 0.018 0.000 0.835 153 D CB 0.113 40.937 40.800 0.039 0.000 0.966 153 D HN 0.762 nan 8.370 nan 0.000 0.476 154 R N -0.398 120.098 120.500 -0.007 0.000 2.740 154 R HA 0.680 5.020 4.340 -0.000 0.000 0.273 154 R C -1.052 175.200 176.300 -0.080 0.000 0.998 154 R CA -0.704 55.370 56.100 -0.043 0.000 0.900 154 R CB 1.507 31.793 30.300 -0.025 0.000 1.223 154 R HN -0.178 nan 8.270 nan 0.000 0.466 155 I N 2.661 123.159 120.570 -0.120 0.000 2.465 155 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 155 I C -0.351 175.658 176.117 -0.180 0.000 1.014 155 I CA -1.076 60.147 61.300 -0.127 0.000 1.093 155 I CB 2.223 40.163 38.000 -0.101 0.000 1.267 155 I HN 0.470 nan 8.210 nan 0.000 0.431 156 I N 6.555 127.031 120.570 -0.158 0.000 2.354 156 I HA 0.311 4.480 4.170 -0.000 0.000 0.286 156 I C -0.339 175.711 176.117 -0.111 0.000 1.007 156 I CA -0.687 60.514 61.300 -0.166 0.000 1.167 156 I CB 1.484 39.410 38.000 -0.123 0.000 1.320 156 I HN 0.198 nan 8.210 nan 0.000 0.458 157 V N 5.792 125.630 119.914 -0.127 0.000 2.644 157 V HA 0.291 4.411 4.120 -0.000 0.000 0.295 157 V C 0.086 176.143 176.094 -0.060 0.000 1.053 157 V CA -0.516 61.729 62.300 -0.091 0.000 0.987 157 V CB 1.725 33.479 31.823 -0.115 0.000 1.006 157 V HN 0.692 nan 8.190 nan 0.000 0.472 158 E N 3.135 123.322 120.200 -0.021 0.000 2.235 158 E HA 0.383 4.733 4.350 -0.000 0.000 0.252 158 E C -1.183 175.435 176.600 0.029 0.000 0.886 158 E CA -0.486 55.922 56.400 0.013 0.000 0.767 158 E CB 1.406 31.124 29.700 0.030 0.000 1.205 158 E HN 0.625 nan 8.360 nan 0.000 0.421 159 L N 5.061 126.315 121.223 0.053 0.000 2.312 159 L HA 0.266 4.606 4.340 -0.000 0.000 0.287 159 L C -0.295 176.631 176.870 0.092 0.000 1.091 159 L CA -0.305 54.581 54.840 0.077 0.000 0.846 159 L CB 0.264 42.396 42.059 0.122 0.000 1.219 159 L HN 0.486 nan 8.230 nan 0.000 0.439 160 N N 3.117 121.879 118.700 0.103 0.000 2.430 160 N HA -0.030 4.710 4.740 -0.000 0.000 0.265 160 N C 0.654 176.245 175.510 0.136 0.000 1.100 160 N CA -0.003 53.134 53.050 0.145 0.000 0.961 160 N CB 1.195 39.829 38.487 0.245 0.000 1.075 160 N HN 0.548 nan 8.380 nan 0.000 0.478 161 D N 2.462 122.917 120.400 0.092 0.000 2.123 161 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 161 D C 0.906 177.221 176.300 0.023 0.000 0.992 161 D CA 1.175 55.206 54.000 0.050 0.000 0.833 161 D CB 0.503 41.323 40.800 0.033 0.000 0.954 161 D HN 0.460 nan 8.370 nan 0.000 0.455 162 K N 0.416 120.821 120.400 0.008 0.000 2.442 162 K HA -0.064 4.256 4.320 -0.000 0.000 0.198 162 K C 0.106 176.546 176.600 -0.267 0.000 1.042 162 K CA 0.479 56.697 56.287 -0.117 0.000 0.958 162 K CB -0.489 31.909 32.500 -0.169 0.000 0.766 162 K HN 0.387 nan 8.250 nan 0.000 0.474 163 H N 0.963 120.046 119.070 0.022 0.000 2.595 163 H HA 0.203 4.759 4.556 -0.000 0.000 0.313 163 H C -2.273 172.951 175.328 -0.173 0.000 1.023 163 H CA -2.008 53.990 56.048 -0.083 0.000 1.218 163 H CB 1.046 30.828 29.762 0.032 0.000 1.403 163 H HN -0.033 nan 8.280 nan 0.000 0.477 164 P HA 0.024 nan 4.420 nan 0.000 0.275 164 P C 0.097 177.328 177.300 -0.114 0.000 1.227 164 P CA -0.653 62.335 63.100 -0.188 0.000 0.781 164 P CB 1.496 33.038 31.700 -0.264 0.000 0.906 165 K N 1.319 121.691 120.400 -0.047 0.000 2.555 165 K HA -0.075 4.245 4.320 -0.000 0.000 0.193 165 K C 0.689 177.287 176.600 -0.003 0.000 1.032 165 K CA 0.975 57.257 56.287 -0.007 0.000 1.004 165 K CB -0.225 32.275 32.500 0.001 0.000 0.804 165 K HN 0.221 nan 8.250 nan 0.000 0.496 166 E N 0.866 121.046 120.200 -0.034 0.000 2.478 166 E HA 0.035 4.385 4.350 -0.000 0.000 0.198 166 E C 0.614 177.216 176.600 0.003 0.000 1.046 166 E CA 0.225 56.618 56.400 -0.012 0.000 0.870 166 E CB 0.042 29.729 29.700 -0.022 0.000 0.818 166 E HN 0.234 nan 8.360 nan 0.000 0.527 172 D N 1.854 122.289 120.400 0.057 0.000 2.346 172 D HA 0.273 4.913 4.640 -0.000 0.000 0.255 172 D C -1.208 175.022 176.300 -0.116 0.000 1.276 172 D CA -0.467 53.503 54.000 -0.050 0.000 0.941 172 D CB 0.606 41.366 40.800 -0.066 0.000 1.199 172 D HN 0.300 nan 8.370 nan 0.000 0.537 173 L N 3.318 124.465 121.223 -0.127 0.000 2.309 173 L HA 0.702 5.042 4.340 -0.000 0.000 0.282 173 L C 0.471 177.228 176.870 -0.189 0.000 1.036 173 L CA -0.751 54.002 54.840 -0.145 0.000 0.806 173 L CB 0.332 42.322 42.059 -0.115 0.000 1.220 173 L HN 0.757 nan 8.230 nan 0.000 0.429 174 C N 0.892 120.093 119.300 -0.164 0.000 3.056 174 C HA 0.638 5.098 4.460 -0.000 0.000 0.336 174 C C -0.986 174.035 174.990 0.051 0.000 1.356 174 C CA -0.984 57.968 59.018 -0.110 0.000 1.216 174 C CB 1.750 29.385 27.740 -0.175 0.000 1.391 174 C HN 0.890 nan 8.230 nan 0.000 0.445 175 E N 0.957 121.219 120.200 0.103 0.000 2.383 175 E HA 0.764 5.114 4.350 -0.000 0.000 0.275 175 E C -2.752 173.940 176.600 0.153 0.000 0.918 175 E CA -1.056 55.450 56.400 0.176 0.000 0.764 175 E CB 2.765 32.505 29.700 0.066 0.000 1.252 175 E HN 0.765 nan 8.360 nan 0.000 0.449 176 P HA 0.327 nan 4.420 nan 0.000 0.283 176 P C -0.735 176.593 177.300 0.046 0.000 1.271 176 P CA -0.742 62.413 63.100 0.091 0.000 0.841 176 P CB 0.934 32.668 31.700 0.056 0.000 1.122 177 L N 1.243 122.490 121.223 0.040 0.000 2.474 177 L HA 0.183 4.523 4.340 -0.000 0.000 0.259 177 L C 0.834 177.729 176.870 0.043 0.000 1.232 177 L CA 0.886 55.746 54.840 0.033 0.000 0.821 177 L CB -0.699 41.377 42.059 0.027 0.000 1.108 177 L HN 0.361 nan 8.230 nan 0.000 0.495 178 D N 1.059 121.491 120.400 0.053 0.000 2.272 178 D HA 0.390 5.030 4.640 -0.000 0.000 0.247 178 D C -2.324 173.998 176.300 0.036 0.000 0.990 178 D CA -1.270 52.788 54.000 0.097 0.000 0.931 178 D CB 1.184 42.090 40.800 0.177 0.000 1.195 178 D HN 0.273 nan 8.370 nan 0.000 0.477 179 P HA 0.057 nan 4.420 nan 0.000 0.266 179 P C -1.795 175.469 177.300 -0.060 0.000 1.193 179 P CA -0.682 62.393 63.100 -0.041 0.000 0.770 179 P CB -0.096 31.555 31.700 -0.081 0.000 0.836 180 P HA 0.146 nan 4.420 nan 0.000 0.255 180 P C 0.491 177.784 177.300 -0.012 0.000 1.357 180 P CA 0.145 63.228 63.100 -0.029 0.000 0.839 180 P CB -0.060 31.623 31.700 -0.028 0.000 1.356 181 A N -0.146 122.671 122.820 -0.005 0.000 2.387 181 A HA 0.138 4.458 4.320 -0.000 0.000 0.234 181 A C 1.166 178.758 177.584 0.012 0.000 1.253 181 A CA -0.389 51.650 52.037 0.004 0.000 0.894 181 A CB -0.400 18.603 19.000 0.005 0.000 0.963 181 A HN 0.116 nan 8.150 nan 0.000 0.508 182 R N 1.048 121.556 120.500 0.014 0.000 2.537 182 R HA 0.224 4.564 4.340 -0.000 0.000 0.280 182 R C -0.105 176.206 176.300 0.019 0.000 1.058 182 R CA -0.082 56.030 56.100 0.020 0.000 1.057 182 R CB 0.409 30.723 30.300 0.023 0.000 0.973 182 R HN 0.239 nan 8.270 nan 0.000 0.438 183 R N 1.787 122.302 120.500 0.025 0.000 2.843 183 R HA 0.166 4.506 4.340 -0.000 0.000 0.232 183 R C -0.194 176.125 176.300 0.031 0.000 1.305 183 R CA -0.757 55.361 56.100 0.029 0.000 1.096 183 R CB 0.253 30.574 30.300 0.035 0.000 1.455 183 R HN 0.752 nan 8.270 nan 0.000 0.520 184 E N 1.394 121.618 120.200 0.039 0.000 2.374 184 E HA 0.070 4.420 4.350 -0.000 0.000 0.260 184 E C -0.602 176.018 176.600 0.033 0.000 1.101 184 E CA -0.128 56.293 56.400 0.035 0.000 0.907 184 E CB 0.514 30.251 29.700 0.061 0.000 1.014 184 E HN 0.391 nan 8.360 nan 0.000 0.427 185 L N 2.924 124.150 121.223 0.004 0.000 2.288 185 L HA 0.234 4.574 4.340 -0.000 0.000 0.283 185 L C -1.658 175.151 176.870 -0.100 0.000 1.072 185 L CA -1.981 52.880 54.840 0.036 0.000 0.862 185 L CB 0.789 42.882 42.059 0.057 0.000 1.245 185 L HN 0.340 nan 8.230 nan 0.000 0.432 186 P HA -0.087 nan 4.420 nan 0.000 0.272 186 P C -0.123 176.912 177.300 -0.443 0.000 1.542 186 P CA 0.490 63.463 63.100 -0.213 0.000 0.846 186 P CB 0.012 31.753 31.700 0.068 0.000 1.782 187 V N 0.986 120.528 119.914 -0.621 0.000 2.350 187 V HA 0.273 4.393 4.120 -0.000 0.000 0.285 187 V C -0.236 175.455 176.094 -0.672 0.000 1.014 187 V CA -0.577 61.456 62.300 -0.444 0.000 0.831 187 V CB 0.674 32.402 31.823 -0.158 0.000 1.000 187 V HN 0.022 nan 8.190 nan 0.000 0.433 188 Y N 3.117 123.389 120.300 -0.048 0.000 2.445 188 Y HA 0.466 5.016 4.550 -0.000 0.000 0.247 188 Y C 1.019 176.871 175.900 -0.080 0.000 1.129 188 Y CA -0.235 57.829 58.100 -0.060 0.000 1.251 188 Y CB 0.864 39.299 38.460 -0.042 0.000 1.176 188 Y HN 0.567 nan 8.280 nan 0.000 0.522 189 T N 1.845 116.397 114.554 -0.003 0.000 2.909 189 T HA 0.194 4.544 4.350 -0.000 0.000 0.299 189 T C -2.125 172.533 174.700 -0.070 0.000 1.073 189 T CA -1.394 60.679 62.100 -0.045 0.000 0.999 189 T CB 2.335 71.174 68.868 -0.047 0.000 1.098 189 T HN -0.245 nan 8.240 nan 0.000 0.477 190 P HA -0.052 nan 4.420 nan 0.000 0.228 190 P C 0.912 178.293 177.300 0.135 0.000 1.151 190 P CA 0.746 63.954 63.100 0.180 0.000 0.770 190 P CB 0.099 32.005 31.700 0.343 0.000 0.786 191 S N -2.574 112.929 115.700 -0.329 0.000 2.568 191 S HA 0.134 4.604 4.470 -0.000 0.000 0.232 191 S C 0.311 174.751 174.600 -0.266 0.000 0.975 191 S CA -0.613 57.138 58.200 -0.748 0.000 0.949 191 S CB -0.559 61.727 63.200 -1.522 0.000 0.829 191 S HN -0.117 nan 8.310 nan 0.000 0.479 192 D N 2.947 123.284 120.400 -0.105 0.000 2.351 192 D HA 0.257 4.897 4.640 -0.000 0.000 0.251 192 D C 0.070 176.357 176.300 -0.020 0.000 1.137 192 D CA 0.165 54.136 54.000 -0.049 0.000 0.879 192 D CB 0.648 41.437 40.800 -0.019 0.000 1.181 192 D HN 0.276 nan 8.370 nan 0.000 0.448 193 R N 2.205 122.690 120.500 -0.025 0.000 2.312 193 R HA 0.408 4.748 4.340 -0.000 0.000 0.311 193 R C 0.868 177.139 176.300 -0.048 0.000 1.004 193 R CA -0.332 55.749 56.100 -0.032 0.000 0.902 193 R CB 1.277 31.563 30.300 -0.023 0.000 1.073 193 R HN 0.546 nan 8.270 nan 0.000 0.457 194 I N -1.996 118.519 120.570 -0.092 0.000 4.338 194 I HA 0.389 4.559 4.170 -0.000 0.000 0.329 194 I C 0.497 176.533 176.117 -0.134 0.000 1.378 194 I CA -0.284 60.956 61.300 -0.099 0.000 1.170 194 I CB 1.122 39.057 38.000 -0.107 0.000 1.206 194 I HN 0.561 nan 8.210 nan 0.000 0.432 195 G N 1.342 110.044 108.800 -0.163 0.000 3.252 195 G HA2 0.563 4.523 3.960 -0.000 0.000 0.181 195 G HA3 0.563 4.523 3.960 -0.000 0.000 0.181 195 G C -1.094 173.704 174.900 -0.171 0.000 1.187 195 G CA -0.645 44.347 45.100 -0.180 0.000 0.886 195 G HN 0.044 nan 8.290 nan 0.000 0.615 196 K N 0.568 120.827 120.400 -0.235 0.000 2.281 196 K HA 0.399 4.719 4.320 -0.000 0.000 0.242 196 K C -2.047 174.389 176.600 -0.273 0.000 0.971 196 K CA -1.688 54.400 56.287 -0.332 0.000 0.834 196 K CB 3.021 35.132 32.500 -0.649 0.000 1.181 196 K HN 0.148 nan 8.250 nan 0.000 0.435 197 P HA -0.003 nan 4.420 nan 0.000 0.255 197 P C -1.319 176.040 177.300 0.098 0.000 1.357 197 P CA 0.453 63.570 63.100 0.027 0.000 0.839 197 P CB -0.120 31.655 31.700 0.126 0.000 1.356 198 Y N -3.685 116.609 120.300 -0.009 0.000 2.702 198 Y HA 0.541 5.091 4.550 -0.000 0.000 0.336 198 Y C -1.879 173.993 175.900 -0.048 0.000 1.203 198 Y CA -1.981 56.091 58.100 -0.046 0.000 1.072 198 Y CB 0.583 39.025 38.460 -0.030 0.000 1.327 198 Y HN -0.229 nan 8.280 nan 0.000 0.456 199 V N 2.250 122.270 119.914 0.176 0.000 2.417 199 V HA 0.615 4.735 4.120 -0.000 0.000 0.291 199 V C -1.029 175.197 176.094 0.219 0.000 1.024 199 V CA -0.357 62.002 62.300 0.098 0.000 0.861 199 V CB 1.437 33.269 31.823 0.016 0.000 0.985 199 V HN 0.971 nan 8.190 nan 0.000 0.436 200 Q N 5.030 124.946 119.800 0.194 0.000 2.278 200 Q HA 0.677 5.017 4.340 -0.000 0.000 0.257 200 Q C -0.734 175.305 176.000 0.065 0.000 0.928 200 Q CA -0.133 55.769 55.803 0.165 0.000 0.932 200 Q CB 1.700 30.563 28.738 0.208 0.000 1.221 200 Q HN 1.117 nan 8.270 nan 0.000 0.434 201 V N 0.273 120.207 119.914 0.032 0.000 3.141 201 V HA 0.611 4.731 4.120 -0.000 0.000 0.312 201 V C -0.834 175.257 176.094 -0.005 0.000 1.157 201 V CA -1.164 61.140 62.300 0.006 0.000 1.041 201 V CB 2.074 33.890 31.823 -0.011 0.000 1.071 201 V HN 0.764 nan 8.190 nan 0.000 0.441 202 D N 2.882 123.275 120.400 -0.011 0.000 2.325 202 D HA 0.352 4.992 4.640 -0.000 0.000 0.251 202 D C -1.313 174.970 176.300 -0.028 0.000 1.196 202 D CA -1.920 52.071 54.000 -0.015 0.000 0.866 202 D CB 1.893 42.686 40.800 -0.011 0.000 1.101 202 D HN 0.502 nan 8.370 nan 0.000 0.476 203 P HA -0.186 nan 4.420 nan 0.000 0.220 203 P C 0.957 178.226 177.300 -0.052 0.000 1.144 203 P CA 0.794 63.866 63.100 -0.048 0.000 0.800 203 P CB 0.184 31.858 31.700 -0.042 0.000 0.772 204 A N 0.369 123.167 122.820 -0.036 0.000 2.067 204 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 204 A C 2.150 179.709 177.584 -0.041 0.000 1.158 204 A CA 1.257 53.275 52.037 -0.032 0.000 0.661 204 A CB -0.864 18.126 19.000 -0.015 0.000 0.801 204 A HN 0.217 nan 8.150 nan 0.000 0.452 205 K N -0.297 120.074 120.400 -0.048 0.000 2.365 205 K HA 0.108 4.428 4.320 -0.000 0.000 0.197 205 K C -0.184 176.355 176.600 -0.101 0.000 1.042 205 K CA 0.133 56.386 56.287 -0.057 0.000 0.987 205 K CB 0.067 32.540 32.500 -0.045 0.000 0.779 205 K HN 0.345 nan 8.250 nan 0.000 0.484 206 I N 3.089 123.589 120.570 -0.117 0.000 2.389 206 I HA -0.064 4.106 4.170 -0.000 0.000 0.295 206 I C 1.521 177.501 176.117 -0.229 0.000 1.117 206 I CA 0.300 61.498 61.300 -0.170 0.000 1.317 206 I CB 0.080 37.982 38.000 -0.163 0.000 1.431 206 I HN -0.091 nan 8.210 nan 0.000 0.521 207 V N 3.692 123.398 119.914 -0.346 0.000 3.141 207 V HA 0.389 4.509 4.120 -0.000 0.000 0.265 207 V C 0.862 176.642 176.094 -0.524 0.000 1.126 207 V CA 0.879 62.852 62.300 -0.546 0.000 1.141 207 V CB -0.724 30.397 31.823 -1.170 0.000 0.743 207 V HN 0.867 nan 8.190 nan 0.000 0.492 208 G N -1.371 107.190 108.800 -0.397 0.000 2.404 208 G HA2 0.477 4.437 3.960 -0.000 0.000 0.298 208 G HA3 0.477 4.437 3.960 -0.000 0.000 0.298 208 G C -1.694 173.026 174.900 -0.299 0.000 1.577 208 G CA -0.110 44.802 45.100 -0.313 0.000 0.847 208 G HN 0.388 nan 8.290 nan 0.000 0.598 209 V N 0.920 120.612 119.914 -0.371 0.000 2.407 209 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 209 V C 0.050 176.048 176.094 -0.160 0.000 1.018 209 V CA -0.743 61.336 62.300 -0.369 0.000 0.842 209 V CB 1.435 32.807 31.823 -0.752 0.000 0.996 209 V HN 0.711 nan 8.190 nan 0.000 0.426 210 V N 5.855 125.747 119.914 -0.036 0.000 2.383 210 V HA 0.436 4.556 4.120 -0.000 0.000 0.275 210 V C 0.525 176.681 176.094 0.103 0.000 1.036 210 V CA -0.739 61.596 62.300 0.058 0.000 0.889 210 V CB 1.225 33.072 31.823 0.040 0.000 0.985 210 V HN 0.767 nan 8.190 nan 0.000 0.459 211 R N 3.142 123.738 120.500 0.159 0.000 2.340 211 R HA 0.546 4.886 4.340 -0.000 0.000 0.300 211 R C 0.296 176.650 176.300 0.090 0.000 1.069 211 R CA -0.103 56.081 56.100 0.139 0.000 0.984 211 R CB 1.219 31.601 30.300 0.136 0.000 1.003 211 R HN 0.925 nan 8.270 nan 0.000 0.459 212 T N -2.084 112.518 114.554 0.081 0.000 2.838 212 T HA 0.425 4.775 4.350 -0.000 0.000 0.292 212 T C -0.471 174.269 174.700 0.067 0.000 1.113 212 T CA -0.828 61.313 62.100 0.068 0.000 1.008 212 T CB 2.059 70.968 68.868 0.070 0.000 1.259 212 T HN 0.318 nan 8.240 nan 0.000 0.520 213 S N 0.789 116.524 115.700 0.058 0.000 2.381 213 S HA 0.380 4.849 4.470 -0.000 0.000 0.193 213 S C -1.541 173.089 174.600 0.051 0.000 1.287 213 S CA -0.579 57.652 58.200 0.051 0.000 1.199 213 S CB 0.064 63.284 63.200 0.033 0.000 1.214 213 S HN 0.622 nan 8.310 nan 0.000 0.444 214 E N 4.808 125.053 120.200 0.074 0.000 2.145 214 E HA 0.417 4.767 4.350 -0.000 0.000 0.262 214 E C -2.630 174.014 176.600 0.074 0.000 0.883 214 E CA -2.073 54.370 56.400 0.073 0.000 0.748 214 E CB 1.884 31.637 29.700 0.088 0.000 1.140 214 E HN 0.424 nan 8.360 nan 0.000 0.417 215 P HA 0.199 nan 4.420 nan 0.000 0.278 215 P C -0.344 176.973 177.300 0.030 0.000 1.258 215 P CA -0.684 62.422 63.100 0.009 0.000 0.811 215 P CB 1.006 32.704 31.700 -0.004 0.000 1.063 216 N N 0.300 119.007 118.700 0.011 0.000 2.482 216 N HA 0.126 4.866 4.740 -0.000 0.000 0.260 216 N C -0.271 175.242 175.510 0.004 0.000 1.236 216 N CA 0.217 53.280 53.050 0.022 0.000 0.938 216 N CB -0.211 38.272 38.487 -0.007 0.000 1.128 216 N HN 0.342 nan 8.380 nan 0.000 0.448 217 D N 0.000 120.405 120.400 0.008 0.000 2.371 217 D HA 0.135 4.775 4.640 -0.000 0.000 0.242 217 D C 0.159 176.455 176.300 -0.007 0.000 1.218 217 D CA 0.100 54.101 54.000 0.002 0.000 0.945 217 D CB 0.592 41.394 40.800 0.004 0.000 1.137 217 D HN 0.408 nan 8.370 nan 0.000 0.464 218 E N -0.422 119.775 120.200 -0.005 0.000 2.232 218 E HA 0.358 4.708 4.350 -0.000 0.000 0.265 218 E C -0.875 175.725 176.600 -0.001 0.000 1.001 218 E CA -0.862 55.533 56.400 -0.008 0.000 0.870 218 E CB 0.856 30.552 29.700 -0.006 0.000 1.175 218 E HN 0.333 nan 8.360 nan 0.000 0.407 219 S N 2.170 117.869 115.700 -0.002 0.000 2.525 219 S HA 0.190 4.660 4.470 -0.000 0.000 0.285 219 S C -0.614 174.002 174.600 0.026 0.000 1.283 219 S CA -0.560 57.643 58.200 0.004 0.000 1.072 219 S CB 0.229 63.428 63.200 -0.002 0.000 0.867 219 S HN 0.368 nan 8.310 nan 0.000 0.492 220 D N 2.176 122.598 120.400 0.037 0.000 2.308 220 D HA 0.326 4.966 4.640 -0.000 0.000 0.242 220 D C -0.038 176.341 176.300 0.132 0.000 1.059 220 D CA -0.680 53.368 54.000 0.081 0.000 0.830 220 D CB 0.608 41.450 40.800 0.069 0.000 1.161 220 D HN 0.545 nan 8.370 nan 0.000 0.494 221 F N 2.314 122.259 119.950 -0.009 0.000 1.891 221 F HA -0.219 4.308 4.527 -0.000 0.000 0.205 221 F C -0.554 175.243 175.800 -0.006 0.000 0.957 221 F CA -0.307 57.688 58.000 -0.008 0.000 0.612 221 F CB -0.181 38.815 39.000 -0.008 0.000 0.630 221 F HN 0.371 nan 8.300 nan 0.000 0.712 222 A N 8.481 131.093 122.820 -0.347 0.000 3.159 222 A HA 0.521 4.841 4.320 -0.000 0.000 0.330 222 A C -2.145 175.182 177.584 -0.428 0.000 1.032 222 A CA -0.789 50.999 52.037 -0.415 0.000 0.841 222 A CB -0.275 18.621 19.000 -0.173 0.000 1.093 222 A HN 0.562 nan 8.150 nan 0.000 0.478 223 P HA 0.304 nan 4.420 nan 0.000 0.272 223 P C -0.439 176.741 177.300 -0.199 0.000 1.223 223 P CA -0.244 62.645 63.100 -0.351 0.000 0.784 223 P CB 0.964 32.446 31.700 -0.363 0.000 0.923 224 L N 1.949 123.119 121.223 -0.088 0.000 2.439 224 L HA 0.368 4.708 4.340 -0.000 0.000 0.261 224 L C 0.236 177.077 176.870 -0.049 0.000 1.153 224 L CA 0.482 55.285 54.840 -0.061 0.000 0.808 224 L CB 0.397 42.438 42.059 -0.031 0.000 1.126 224 L HN 0.528 nan 8.230 nan 0.000 0.460 225 D N 2.738 123.110 120.400 -0.046 0.000 2.936 225 D HA 0.383 5.023 4.640 -0.000 0.000 0.238 225 D C -2.055 174.221 176.300 -0.039 0.000 1.248 225 D CA -1.419 52.559 54.000 -0.037 0.000 0.903 225 D CB 2.178 42.952 40.800 -0.043 0.000 1.544 225 D HN 0.187 nan 8.370 nan 0.000 0.543 226 P HA -0.187 nan 4.420 nan 0.000 0.216 226 P C 1.457 178.709 177.300 -0.079 0.000 1.150 226 P CA 0.673 63.743 63.100 -0.051 0.000 0.843 226 P CB 0.340 32.013 31.700 -0.045 0.000 0.787 227 V N 0.849 120.713 119.914 -0.083 0.000 2.343 227 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 227 V C 2.956 178.998 176.094 -0.086 0.000 1.051 227 V CA 2.712 64.944 62.300 -0.113 0.000 1.036 227 V CB -1.980 29.792 31.823 -0.086 0.000 0.654 227 V HN 0.331 nan 8.190 nan 0.000 0.451 228 T N -3.041 111.479 114.554 -0.058 0.000 2.985 228 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 228 T C 1.814 176.490 174.700 -0.040 0.000 1.076 228 T CA 0.793 62.867 62.100 -0.043 0.000 1.135 228 T CB -0.172 68.674 68.868 -0.038 0.000 0.890 228 T HN 0.356 nan 8.240 nan 0.000 0.480 229 Q N 1.265 121.038 119.800 -0.044 0.000 2.050 229 Q HA 0.086 4.426 4.340 -0.000 0.000 0.202 229 Q C 2.804 178.781 176.000 -0.037 0.000 0.980 229 Q CA 1.818 57.601 55.803 -0.034 0.000 0.840 229 Q CB -0.971 27.747 28.738 -0.034 0.000 0.898 229 Q HN 0.717 nan 8.270 nan 0.000 0.424 230 A N 1.136 123.919 122.820 -0.062 0.000 1.851 230 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 230 A C 2.226 179.780 177.584 -0.049 0.000 1.195 230 A CA 1.379 53.372 52.037 -0.073 0.000 0.622 230 A CB -0.864 18.050 19.000 -0.143 0.000 0.831 230 A HN 0.311 nan 8.150 nan 0.000 0.444 231 I N -0.281 120.259 120.570 -0.051 0.000 2.118 231 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 231 I C 2.725 178.840 176.117 -0.002 0.000 1.070 231 I CA 1.376 62.663 61.300 -0.021 0.000 1.327 231 I CB -0.744 37.247 38.000 -0.015 0.000 1.034 231 I HN 0.430 nan 8.210 nan 0.000 0.405 232 G N -0.022 108.774 108.800 -0.005 0.000 2.442 232 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.219 232 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.219 232 G C 1.257 176.165 174.900 0.014 0.000 1.141 232 G CA 1.388 46.491 45.100 0.006 0.000 0.763 232 G HN 0.415 nan 8.290 nan 0.000 0.554 233 D N 0.279 120.684 120.400 0.008 0.000 2.117 233 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 233 D C 2.327 178.648 176.300 0.034 0.000 0.982 233 D CA 0.973 54.983 54.000 0.015 0.000 0.828 233 D CB -0.039 40.765 40.800 0.006 0.000 0.967 233 D HN 0.113 nan 8.370 nan 0.000 0.464 234 N N -0.050 118.671 118.700 0.034 0.000 2.104 234 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 234 N C 1.939 177.512 175.510 0.104 0.000 1.024 234 N CA 0.798 53.883 53.050 0.059 0.000 0.853 234 N CB -0.453 38.055 38.487 0.035 0.000 1.008 234 N HN 0.167 nan 8.380 nan 0.000 0.424 235 V N 1.600 121.564 119.914 0.084 0.000 2.261 235 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 235 V C 2.485 178.671 176.094 0.154 0.000 1.047 235 V CA 1.925 64.303 62.300 0.129 0.000 1.015 235 V CB -1.130 30.736 31.823 0.073 0.000 0.642 235 V HN 0.306 nan 8.190 nan 0.000 0.446 236 A N 0.039 122.903 122.820 0.073 0.000 1.883 236 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 236 A C 2.402 179.998 177.584 0.020 0.000 1.186 236 A CA 2.360 54.410 52.037 0.022 0.000 0.624 236 A CB -0.883 18.116 19.000 -0.003 0.000 0.822 236 A HN 0.608 nan 8.150 nan 0.000 0.444 237 A N -1.351 121.502 122.820 0.055 0.000 1.930 237 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 237 A C 2.014 179.652 177.584 0.091 0.000 1.175 237 A CA 1.556 53.625 52.037 0.052 0.000 0.627 237 A CB -0.662 18.375 19.000 0.063 0.000 0.815 237 A HN 0.735 nan 8.150 nan 0.000 0.443 238 F N 0.416 120.370 119.950 0.006 0.000 2.075 238 F HA -0.131 4.396 4.527 0.000 0.000 0.297 238 F C 1.738 177.554 175.800 0.027 0.000 1.113 238 F CA 1.440 59.454 58.000 0.023 0.000 1.218 238 F CB -0.463 38.558 39.000 0.036 0.000 0.984 238 F HN 0.134 nan 8.300 nan 0.000 0.472 239 L N 0.635 121.763 121.223 -0.158 0.000 2.012 239 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 239 L C 2.898 179.632 176.870 -0.226 0.000 1.073 239 L CA 2.036 56.740 54.840 -0.227 0.000 0.748 239 L CB -1.638 40.436 42.059 0.025 0.000 0.891 239 L HN 0.328 nan 8.230 nan 0.000 0.431 240 V N -3.538 116.262 119.914 -0.190 0.000 2.407 240 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 240 V C 2.549 178.557 176.094 -0.144 0.000 1.055 240 V CA 2.006 64.196 62.300 -0.183 0.000 1.049 240 V CB -1.062 30.674 31.823 -0.144 0.000 0.662 240 V HN 0.468 nan 8.190 nan 0.000 0.455 241 S N -0.520 115.098 115.700 -0.137 0.000 2.382 241 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 241 S C 1.254 175.765 174.600 -0.150 0.000 1.027 241 S CA 0.845 58.981 58.200 -0.106 0.000 0.991 241 S CB -0.569 62.602 63.200 -0.048 0.000 0.823 241 S HN 0.789 nan 8.310 nan 0.000 0.469 245 A N 1.764 124.571 122.820 -0.021 0.000 2.169 245 A HA 0.461 4.781 4.320 -0.000 0.000 0.212 245 A C 1.656 179.245 177.584 0.008 0.000 1.153 245 A CA 1.190 53.224 52.037 -0.004 0.000 0.756 245 A CB -0.385 18.611 19.000 -0.006 0.000 0.813 245 A HN 1.004 nan 8.150 nan 0.000 0.471 246 G N -1.037 107.768 108.800 0.009 0.000 2.141 246 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 246 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 246 G C 0.783 175.714 174.900 0.051 0.000 0.984 246 G CA 0.460 45.576 45.100 0.027 0.000 0.660 246 G HN 0.501 nan 8.290 nan 0.000 0.525 247 R N -0.631 119.899 120.500 0.050 0.000 2.334 247 R HA 0.505 4.845 4.340 -0.000 0.000 0.216 247 R C 0.539 176.949 176.300 0.182 0.000 0.905 247 R CA 0.458 56.617 56.100 0.099 0.000 1.064 247 R CB 0.360 30.701 30.300 0.070 0.000 1.046 247 R HN 0.486 nan 8.270 nan 0.000 0.508 248 I N 1.547 122.178 120.570 0.102 0.000 2.644 248 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 248 I C -2.406 173.721 176.117 0.017 0.000 1.180 248 I CA -2.601 58.726 61.300 0.046 0.000 1.040 248 I CB 2.646 40.651 38.000 0.008 0.000 1.255 248 I HN -0.182 nan 8.210 nan 0.000 0.422 249 P HA 0.058 nan 4.420 nan 0.000 0.265 249 P C 0.082 177.398 177.300 0.027 0.000 1.193 249 P CA -0.220 62.881 63.100 0.002 0.000 0.765 249 P CB 0.982 32.666 31.700 -0.026 0.000 0.823 250 K N 1.519 121.934 120.400 0.025 0.000 2.173 250 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 250 K C 1.076 177.701 176.600 0.041 0.000 1.046 250 K CA 1.596 57.896 56.287 0.021 0.000 0.929 250 K CB -0.397 32.109 32.500 0.011 0.000 0.720 250 K HN 0.459 nan 8.250 nan 0.000 0.453 251 D N -1.018 119.418 120.400 0.059 0.000 2.328 251 D HA 0.065 4.704 4.640 -0.000 0.000 0.226 251 D C 0.243 176.664 176.300 0.201 0.000 1.066 251 D CA 0.101 54.156 54.000 0.091 0.000 0.861 251 D CB -0.077 40.760 40.800 0.061 0.000 0.912 251 D HN 0.147 nan 8.370 nan 0.000 0.521 252 F N -1.110 118.805 119.950 -0.057 0.000 2.183 252 F HA -0.338 4.189 4.527 -0.000 0.000 0.318 252 F C -1.197 174.539 175.800 -0.106 0.000 0.255 252 F CA -0.387 57.563 58.000 -0.084 0.000 0.912 252 F CB -0.308 38.672 39.000 -0.034 0.000 4.135 252 F HN -0.128 nan 8.300 nan 0.000 0.137 253 L N 0.796 121.678 121.223 -0.569 0.000 2.397 253 L HA 0.611 4.951 4.340 -0.000 0.000 0.251 253 L C -2.391 174.194 176.870 -0.474 0.000 1.064 253 L CA -1.875 52.681 54.840 -0.473 0.000 0.859 253 L CB 1.300 43.029 42.059 -0.550 0.000 1.468 253 L HN 0.185 nan 8.230 nan 0.000 0.411 254 P HA 0.356 nan 4.420 nan 0.000 0.271 254 P C -1.029 176.194 177.300 -0.129 0.000 1.218 254 P CA -0.030 63.029 63.100 -0.069 0.000 0.780 254 P CB 0.480 32.194 31.700 0.024 0.000 0.901 255 L N 1.852 123.059 121.223 -0.027 0.000 2.319 255 L HA 0.621 4.961 4.340 -0.000 0.000 0.267 255 L C 0.015 176.872 176.870 -0.021 0.000 1.011 255 L CA -0.777 54.017 54.840 -0.076 0.000 0.818 255 L CB 1.874 43.867 42.059 -0.111 0.000 1.316 255 L HN 0.313 nan 8.230 nan 0.000 0.432 256 Q N 1.824 121.554 119.800 -0.116 0.000 2.289 256 Q HA 0.532 4.872 4.340 -0.000 0.000 0.270 256 Q C -1.716 174.131 176.000 -0.255 0.000 1.038 256 Q CA -0.343 55.304 55.803 -0.259 0.000 0.812 256 Q CB 2.586 30.993 28.738 -0.550 0.000 1.300 256 Q HN 0.785 nan 8.270 nan 0.000 0.427 257 S N 1.478 117.043 115.700 -0.225 0.000 2.588 257 S HA 0.885 5.355 4.470 -0.000 0.000 0.275 257 S C 0.018 174.528 174.600 -0.151 0.000 1.130 257 S CA -0.151 57.951 58.200 -0.163 0.000 0.855 257 S CB 1.534 64.686 63.200 -0.080 0.000 1.116 257 S HN 0.707 nan 8.310 nan 0.000 0.472 258 G N 0.213 108.950 108.800 -0.106 0.000 2.494 258 G HA2 0.564 4.524 3.960 -0.000 0.000 0.270 258 G HA3 0.564 4.524 3.960 -0.000 0.000 0.270 258 G C -0.812 174.069 174.900 -0.032 0.000 1.423 258 G CA -0.656 44.409 45.100 -0.060 0.000 1.055 258 G HN 0.918 nan 8.290 nan 0.000 0.536 259 V N -0.409 119.500 119.914 -0.009 0.000 2.667 259 V HA 0.865 4.985 4.120 -0.000 0.000 0.308 259 V C 0.769 176.863 176.094 -0.000 0.000 1.048 259 V CA 0.801 63.099 62.300 -0.004 0.000 0.928 259 V CB 0.800 32.624 31.823 0.002 0.000 1.004 259 V HN 1.694 nan 8.190 nan 0.000 0.444 260 G N 3.088 111.882 108.800 -0.009 0.000 2.361 260 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.331 260 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.331 260 G C -0.033 174.853 174.900 -0.025 0.000 1.324 260 G CA -0.060 45.032 45.100 -0.014 0.000 0.984 260 G HN 0.563 nan 8.290 nan 0.000 0.586 261 N N -0.949 117.729 118.700 -0.035 0.000 2.142 261 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 261 N C 2.379 177.870 175.510 -0.031 0.000 1.023 261 N CA 1.408 54.431 53.050 -0.046 0.000 0.852 261 N CB 0.004 38.453 38.487 -0.063 0.000 0.998 261 N HN 0.311 nan 8.380 nan 0.000 0.424 262 V N 1.629 121.531 119.914 -0.021 0.000 2.261 262 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 262 V C 2.457 178.546 176.094 -0.010 0.000 1.047 262 V CA 1.998 64.290 62.300 -0.013 0.000 1.015 262 V CB -1.011 30.809 31.823 -0.004 0.000 0.642 262 V HN 0.342 nan 8.190 nan 0.000 0.446 263 A N 0.380 123.194 122.820 -0.010 0.000 1.903 263 A HA -0.352 3.968 4.320 -0.000 0.000 0.219 263 A C 2.045 179.630 177.584 0.001 0.000 1.191 263 A CA 2.671 54.703 52.037 -0.009 0.000 0.638 263 A CB -1.076 17.915 19.000 -0.014 0.000 0.823 263 A HN 0.722 nan 8.150 nan 0.000 0.451 264 N N -0.205 118.493 118.700 -0.004 0.000 2.104 264 N HA -0.093 4.647 4.740 -0.000 0.000 0.190 264 N C 1.953 177.468 175.510 0.007 0.000 1.024 264 N CA 1.028 54.078 53.050 0.001 0.000 0.853 264 N CB -0.250 38.228 38.487 -0.016 0.000 1.008 264 N HN 0.539 nan 8.380 nan 0.000 0.424 265 A N 0.756 123.575 122.820 -0.002 0.000 1.898 265 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 265 A C 2.413 180.004 177.584 0.013 0.000 1.181 265 A CA 0.955 52.992 52.037 -0.000 0.000 0.620 265 A CB -0.652 18.341 19.000 -0.012 0.000 0.819 265 A HN 0.081 nan 8.150 nan 0.000 0.442 266 V N 0.219 120.140 119.914 0.013 0.000 2.261 266 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 266 V C 2.589 178.707 176.094 0.039 0.000 1.047 266 V CA 2.068 64.379 62.300 0.019 0.000 1.015 266 V CB -0.833 30.995 31.823 0.008 0.000 0.642 266 V HN 0.575 nan 8.190 nan 0.000 0.446 267 L N 0.311 121.570 121.223 0.059 0.000 2.042 267 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 267 L C 2.650 179.595 176.870 0.125 0.000 1.076 267 L CA 1.877 56.791 54.840 0.123 0.000 0.749 267 L CB -1.189 40.942 42.059 0.121 0.000 0.893 267 L HN 0.483 nan 8.230 nan 0.000 0.432 268 G N -0.602 108.243 108.800 0.074 0.000 2.421 268 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 268 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 268 G C 1.773 176.708 174.900 0.059 0.000 1.171 268 G CA 0.829 45.965 45.100 0.061 0.000 0.775 268 G HN 0.474 nan 8.290 nan 0.000 0.543 269 A N 0.694 123.540 122.820 0.044 0.000 1.883 269 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 269 A C 2.468 180.073 177.584 0.036 0.000 1.186 269 A CA 1.483 53.538 52.037 0.031 0.000 0.624 269 A CB -0.505 18.507 19.000 0.020 0.000 0.822 269 A HN 0.360 nan 8.150 nan 0.000 0.444 270 L N -0.703 120.549 121.223 0.048 0.000 2.012 270 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 270 L C 2.839 179.795 176.870 0.142 0.000 1.073 270 L CA 1.274 56.138 54.840 0.040 0.000 0.748 270 L CB -0.877 41.171 42.059 -0.018 0.000 0.891 270 L HN 0.499 nan 8.230 nan 0.000 0.431 271 G N -0.907 108.011 108.800 0.196 0.000 2.432 271 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 271 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 271 G C 1.081 176.034 174.900 0.087 0.000 1.135 271 G CA 0.812 46.013 45.100 0.168 0.000 0.767 271 G HN 0.292 nan 8.290 nan 0.000 0.550 272 D N -0.346 120.090 120.400 0.060 0.000 2.349 272 D HA 0.018 4.658 4.640 -0.000 0.000 0.215 272 D C 0.562 176.872 176.300 0.018 0.000 1.016 272 D CA -0.026 53.994 54.000 0.033 0.000 0.870 272 D CB 0.062 40.876 40.800 0.024 0.000 0.917 272 D HN 0.128 nan 8.370 nan 0.000 0.524 273 N N 1.471 120.179 118.700 0.012 0.000 2.462 273 N HA 0.059 4.799 4.740 -0.000 0.000 0.242 273 N C -1.751 173.745 175.510 -0.023 0.000 1.010 273 N CA -1.549 51.492 53.050 -0.015 0.000 0.939 273 N CB 1.867 40.332 38.487 -0.037 0.000 1.127 273 N HN -0.078 nan 8.380 nan 0.000 0.509 274 P HA -0.110 nan 4.420 nan 0.000 0.219 274 P C 0.233 177.508 177.300 -0.042 0.000 1.146 274 P CA 1.028 64.117 63.100 -0.019 0.000 0.808 274 P CB 0.533 32.225 31.700 -0.013 0.000 0.779 275 D N -0.569 119.792 120.400 -0.065 0.000 2.371 275 D HA 0.021 4.661 4.640 -0.000 0.000 0.221 275 D C 0.749 176.947 176.300 -0.170 0.000 0.986 275 D CA 0.524 54.467 54.000 -0.096 0.000 0.899 275 D CB 0.133 40.878 40.800 -0.091 0.000 0.902 275 D HN 0.206 nan 8.370 nan 0.000 0.530 276 I N 3.805 124.266 120.570 -0.182 0.000 2.297 276 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 276 I C -1.986 174.040 176.117 -0.151 0.000 1.033 276 I CA -2.137 58.966 61.300 -0.329 0.000 1.253 276 I CB 0.970 38.787 38.000 -0.304 0.000 1.396 276 I HN -0.253 nan 8.210 nan 0.000 0.476 277 P HA 0.114 nan 4.420 nan 0.000 0.272 277 P C -0.334 177.086 177.300 0.199 0.000 1.230 277 P CA -0.450 62.665 63.100 0.025 0.000 0.788 277 P CB 0.864 32.581 31.700 0.028 0.000 0.949 278 A N 2.811 125.722 122.820 0.152 0.000 2.580 278 A HA 0.291 4.611 4.320 -0.000 0.000 0.244 278 A C 0.191 177.923 177.584 0.247 0.000 1.045 278 A CA 0.346 52.457 52.037 0.124 0.000 0.761 278 A CB -1.239 17.784 19.000 0.038 0.000 0.962 278 A HN 0.518 nan 8.150 nan 0.000 0.512 279 F N 0.793 120.834 119.950 0.151 0.000 2.631 279 F HA 0.771 5.298 4.527 -0.000 0.000 0.328 279 F C -0.252 175.634 175.800 0.143 0.000 1.067 279 F CA -1.454 56.665 58.000 0.198 0.000 0.969 279 F CB 1.253 40.469 39.000 0.360 0.000 1.332 279 F HN 0.519 nan 8.300 nan 0.000 0.490 283 T N -2.734 111.742 114.554 -0.129 0.000 2.893 283 T HA 0.472 4.822 4.350 -0.000 0.000 0.281 283 T C 0.833 175.446 174.700 -0.146 0.000 1.027 283 T CA -0.199 61.783 62.100 -0.197 0.000 0.953 283 T CB 1.876 70.650 68.868 -0.157 0.000 1.434 283 T HN 0.399 nan 8.240 nan 0.000 0.597 284 E N -0.574 119.560 120.200 -0.110 0.000 2.083 284 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 284 E C 0.474 177.076 176.600 0.004 0.000 0.950 284 E CA 0.229 56.625 56.400 -0.007 0.000 0.849 284 E CB 0.404 30.211 29.700 0.178 0.000 0.827 284 E HN 0.460 nan 8.360 nan 0.000 0.465 285 V N 1.076 121.030 119.914 0.067 0.000 2.495 285 V HA 0.434 4.554 4.120 -0.000 0.000 0.298 285 V C -0.757 175.341 176.094 0.007 0.000 1.031 285 V CA -0.748 61.601 62.300 0.083 0.000 0.871 285 V CB 1.275 33.185 31.823 0.146 0.000 0.988 285 V HN 0.090 nan 8.190 nan 0.000 0.432 286 I N 7.716 128.279 120.570 -0.011 0.000 2.337 286 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 286 I C 0.532 176.638 176.117 -0.018 0.000 1.046 286 I CA -0.246 61.035 61.300 -0.031 0.000 1.324 286 I CB 1.076 39.039 38.000 -0.063 0.000 1.409 286 I HN 0.823 nan 8.210 nan 0.000 0.494 287 Q N 4.708 124.500 119.800 -0.013 0.000 2.207 287 Q HA 0.301 4.641 4.340 -0.000 0.000 0.237 287 Q C -0.216 175.776 176.000 -0.014 0.000 0.998 287 Q CA -0.647 55.148 55.803 -0.012 0.000 0.951 287 Q CB 1.048 29.782 28.738 -0.007 0.000 1.213 287 Q HN 0.436 nan 8.270 nan 0.000 0.499 288 D N 0.998 121.387 120.400 -0.018 0.000 2.116 288 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 288 D C 1.802 178.105 176.300 0.004 0.000 0.998 288 D CA 2.365 56.355 54.000 -0.017 0.000 0.836 288 D CB -0.489 40.298 40.800 -0.021 0.000 0.951 288 D HN 0.688 nan 8.370 nan 0.000 0.449 289 A N 0.477 123.302 122.820 0.008 0.000 1.948 289 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 289 A C 2.515 180.122 177.584 0.040 0.000 1.177 289 A CA 1.533 53.585 52.037 0.024 0.000 0.636 289 A CB -0.748 18.268 19.000 0.026 0.000 0.815 289 A HN 0.186 nan 8.150 nan 0.000 0.449 290 V N 0.409 120.343 119.914 0.033 0.000 2.379 290 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 290 V C 2.420 178.536 176.094 0.037 0.000 1.044 290 V CA 1.563 63.883 62.300 0.032 0.000 1.036 290 V CB -0.574 31.257 31.823 0.014 0.000 0.664 290 V HN 0.522 nan 8.190 nan 0.000 0.453 291 I N 0.879 121.480 120.570 0.052 0.000 2.208 291 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 291 I C 2.741 178.946 176.117 0.147 0.000 1.097 291 I CA 1.990 63.365 61.300 0.125 0.000 1.363 291 I CB -1.727 36.313 38.000 0.067 0.000 1.051 291 I HN 0.311 nan 8.210 nan 0.000 0.413 292 A N 1.226 124.094 122.820 0.081 0.000 1.883 292 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 292 A C 1.726 179.345 177.584 0.059 0.000 1.186 292 A CA 0.908 52.985 52.037 0.067 0.000 0.624 292 A CB -0.818 18.205 19.000 0.039 0.000 0.822 292 A HN 0.307 nan 8.150 nan 0.000 0.444 296 K N 1.227 121.643 120.400 0.026 0.000 2.410 296 K HA 0.156 4.476 4.320 -0.000 0.000 0.200 296 K C 0.829 177.439 176.600 0.015 0.000 1.023 296 K CA 0.644 56.934 56.287 0.005 0.000 1.149 296 K CB 0.881 33.384 32.500 0.005 0.000 0.859 296 K HN 0.379 nan 8.250 nan 0.000 0.514 297 G N 2.501 111.329 108.800 0.046 0.000 2.175 297 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.265 297 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.265 297 G C 1.017 175.898 174.900 -0.031 0.000 0.979 297 G CA 1.049 46.166 45.100 0.027 0.000 0.663 297 G HN 0.319 nan 8.290 nan 0.000 0.533 298 R N 0.302 120.769 120.500 -0.055 0.000 2.075 298 R HA 0.235 4.575 4.340 -0.000 0.000 0.232 298 R C 1.159 177.256 176.300 -0.339 0.000 1.126 298 R CA 1.239 57.272 56.100 -0.111 0.000 0.963 298 R CB -0.136 30.130 30.300 -0.056 0.000 0.858 298 R HN 0.498 nan 8.270 nan 0.000 0.435 299 I N 1.376 121.735 120.570 -0.352 0.000 2.362 299 I HA 0.165 4.335 4.170 -0.000 0.000 0.289 299 I C 0.564 176.547 176.117 -0.222 0.000 0.994 299 I CA -0.461 60.539 61.300 -0.499 0.000 1.158 299 I CB 2.067 39.809 38.000 -0.429 0.000 1.315 299 I HN 0.106 nan 8.210 nan 0.000 0.451 300 K N 4.757 125.066 120.400 -0.151 0.000 2.167 300 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 300 K C -0.211 176.428 176.600 0.064 0.000 1.052 300 K CA 1.130 57.397 56.287 -0.034 0.000 0.956 300 K CB 0.374 32.882 32.500 0.014 0.000 0.735 300 K HN 0.442 nan 8.250 nan 0.000 0.451 301 F N -1.036 118.851 119.950 -0.104 0.000 2.719 301 F HA 0.496 5.023 4.527 -0.000 0.000 0.309 301 F C -2.136 173.644 175.800 -0.033 0.000 1.138 301 F CA -1.079 56.879 58.000 -0.071 0.000 0.943 301 F CB 1.330 40.306 39.000 -0.039 0.000 1.304 301 F HN -0.231 nan 8.300 nan 0.000 0.445 302 A N 2.999 125.240 122.820 -0.966 0.000 2.375 302 A HA 0.650 4.970 4.320 -0.000 0.000 0.295 302 A C -1.452 175.724 177.584 -0.679 0.000 1.066 302 A CA -0.410 51.304 52.037 -0.539 0.000 0.722 302 A CB 1.424 20.231 19.000 -0.321 0.000 1.206 302 A HN 0.821 nan 8.150 nan 0.000 0.435 303 S N 1.600 117.175 115.700 -0.209 0.000 2.475 303 S HA 0.867 5.337 4.470 -0.000 0.000 0.298 303 S C 0.252 174.708 174.600 -0.241 0.000 1.119 303 S CA 0.353 58.483 58.200 -0.118 0.000 1.085 303 S CB 1.141 64.423 63.200 0.136 0.000 1.028 303 S HN 1.945 nan 8.310 nan 0.000 0.489 304 G N 0.902 109.562 108.800 -0.234 0.000 2.619 304 G HA2 0.375 4.335 3.960 -0.000 0.000 0.305 304 G HA3 0.375 4.335 3.960 -0.000 0.000 0.305 304 G C -0.015 174.754 174.900 -0.218 0.000 1.330 304 G CA 0.032 44.996 45.100 -0.225 0.000 0.789 304 G HN 0.783 nan 8.290 nan 0.000 0.487 305 C N -0.059 119.085 119.300 -0.260 0.000 3.019 305 C HA 0.690 5.150 4.460 -0.000 0.000 0.295 305 C C 0.950 175.846 174.990 -0.157 0.000 1.256 305 C CA 1.018 59.818 59.018 -0.364 0.000 1.706 305 C CB -1.175 25.980 27.740 -0.975 0.000 2.153 305 C HN 1.238 nan 8.230 nan 0.000 0.618 306 S N -0.001 115.684 115.700 -0.025 0.000 2.547 306 S HA 0.593 5.063 4.470 -0.000 0.000 0.270 306 S C -1.375 173.254 174.600 0.048 0.000 1.150 306 S CA -0.529 57.728 58.200 0.096 0.000 0.850 306 S CB 1.272 64.640 63.200 0.279 0.000 1.118 306 S HN 0.210 nan 8.310 nan 0.000 0.461 307 L N 2.501 123.746 121.223 0.038 0.000 2.360 307 L HA 0.593 4.933 4.340 -0.000 0.000 0.265 307 L C -0.430 176.447 176.870 0.012 0.000 1.066 307 L CA 0.089 54.928 54.840 -0.001 0.000 0.929 307 L CB 0.783 42.827 42.059 -0.025 0.000 1.306 307 L HN 0.768 nan 8.230 nan 0.000 0.434 308 S N 4.159 119.870 115.700 0.017 0.000 3.170 308 S HA 0.467 4.937 4.470 -0.000 0.000 0.257 308 S C -0.092 174.500 174.600 -0.013 0.000 1.284 308 S CA -0.460 57.748 58.200 0.015 0.000 0.973 308 S CB -0.073 63.143 63.200 0.027 0.000 1.330 308 S HN 0.492 nan 8.310 nan 0.000 0.493 309 V N 0.284 120.178 119.914 -0.034 0.000 3.019 309 V HA 0.817 4.937 4.120 -0.000 0.000 0.317 309 V C 0.341 176.400 176.094 -0.058 0.000 1.094 309 V CA -1.231 61.034 62.300 -0.058 0.000 1.000 309 V CB 1.482 33.244 31.823 -0.103 0.000 1.060 309 V HN 0.577 nan 8.190 nan 0.000 0.443 310 S N 1.560 117.225 115.700 -0.058 0.000 2.589 310 S HA 0.246 4.716 4.470 -0.000 0.000 0.265 310 S C 1.067 175.622 174.600 -0.075 0.000 1.342 310 S CA 0.346 58.515 58.200 -0.051 0.000 1.005 310 S CB 0.611 63.788 63.200 -0.039 0.000 0.909 310 S HN 1.044 nan 8.310 nan 0.000 0.555 311 R N 0.447 120.912 120.500 -0.060 0.000 2.105 311 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 311 R C 2.442 178.687 176.300 -0.093 0.000 1.135 311 R CA 1.748 57.804 56.100 -0.074 0.000 0.967 311 R CB -0.822 29.451 30.300 -0.046 0.000 0.861 311 R HN 0.776 nan 8.270 nan 0.000 0.442 312 S N -0.420 115.237 115.700 -0.072 0.000 2.368 312 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 312 S C 1.880 176.417 174.600 -0.106 0.000 1.030 312 S CA 1.448 59.605 58.200 -0.071 0.000 0.999 312 S CB -0.099 63.073 63.200 -0.047 0.000 0.844 312 S HN 0.252 nan 8.310 nan 0.000 0.459 313 V N 1.310 121.150 119.914 -0.123 0.000 2.379 313 V HA -0.033 4.087 4.120 -0.000 0.000 0.245 313 V C 2.338 178.260 176.094 -0.288 0.000 1.044 313 V CA 1.557 63.755 62.300 -0.171 0.000 1.036 313 V CB -0.599 31.141 31.823 -0.139 0.000 0.664 313 V HN 0.520 nan 8.190 nan 0.000 0.453 314 I N 0.039 120.424 120.570 -0.308 0.000 2.394 314 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 314 I C 2.416 178.179 176.117 -0.591 0.000 1.136 314 I CA 1.665 62.654 61.300 -0.520 0.000 1.425 314 I CB -0.336 37.392 38.000 -0.453 0.000 1.079 314 I HN 0.355 nan 8.210 nan 0.000 0.425 315 Q N -0.556 119.057 119.800 -0.311 0.000 2.172 315 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 315 Q C 1.784 177.705 176.000 -0.131 0.000 0.964 315 Q CA 1.618 57.321 55.803 -0.168 0.000 0.855 315 Q CB -0.222 28.466 28.738 -0.084 0.000 0.918 315 Q HN 0.531 nan 8.270 nan 0.000 0.444 316 D N 0.862 121.158 120.400 -0.172 0.000 2.144 316 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 316 D C 1.663 177.847 176.300 -0.194 0.000 0.978 316 D CA 0.903 54.828 54.000 -0.124 0.000 0.833 316 D CB 0.004 40.737 40.800 -0.111 0.000 0.961 316 D HN 0.167 nan 8.370 nan 0.000 0.470 317 I N -0.550 119.736 120.570 -0.474 0.000 2.163 317 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 317 I C 1.930 178.011 176.117 -0.061 0.000 1.081 317 I CA 0.949 61.851 61.300 -0.662 0.000 1.353 317 I CB -0.470 37.059 38.000 -0.784 0.000 1.054 317 I HN 0.132 nan 8.210 nan 0.000 0.407 318 Y N 0.448 120.682 120.300 -0.110 0.000 2.403 318 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 318 Y C 2.481 178.388 175.900 0.011 0.000 1.143 318 Y CA 0.183 58.265 58.100 -0.029 0.000 1.257 318 Y CB -0.170 38.264 38.460 -0.043 0.000 0.984 318 Y HN 0.210 nan 8.280 nan 0.000 0.550 319 A N -0.561 122.356 122.820 0.162 0.000 2.238 319 A HA 0.035 4.355 4.320 -0.000 0.000 0.210 319 A C 0.708 178.382 177.584 0.152 0.000 1.179 319 A CA 0.308 52.419 52.037 0.123 0.000 0.827 319 A CB -0.012 19.034 19.000 0.077 0.000 0.856 319 A HN 0.296 nan 8.150 nan 0.000 0.488 320 N N 0.183 119.020 118.700 0.228 0.000 2.646 320 N HA 0.169 4.909 4.740 -0.000 0.000 0.303 320 N C -0.156 175.619 175.510 0.442 0.000 1.921 320 N CA -0.215 53.034 53.050 0.332 0.000 0.872 320 N CB 1.056 39.815 38.487 0.453 0.000 1.327 320 N HN 0.089 nan 8.380 nan 0.000 0.492 321 L N 1.310 122.711 121.223 0.296 0.000 2.353 321 L HA -0.126 4.214 4.340 -0.000 0.000 0.220 321 L C 2.004 179.004 176.870 0.215 0.000 1.133 321 L CA 1.515 56.513 54.840 0.263 0.000 0.798 321 L CB -0.368 41.791 42.059 0.167 0.000 0.922 321 L HN 0.306 nan 8.230 nan 0.000 0.445 322 D N -1.557 118.963 120.400 0.201 0.000 2.182 322 D HA -0.299 4.341 4.640 -0.000 0.000 0.201 322 D C 2.066 178.458 176.300 0.153 0.000 0.986 322 D CA 1.381 55.471 54.000 0.150 0.000 0.847 322 D CB -0.386 40.496 40.800 0.137 0.000 0.942 322 D HN 0.402 nan 8.370 nan 0.000 0.467 323 F N -0.112 119.835 119.950 -0.004 0.000 2.453 323 F HA 0.173 4.700 4.527 -0.000 0.000 0.284 323 F C 1.794 177.430 175.800 -0.273 0.000 1.065 323 F CA 0.086 57.966 58.000 -0.200 0.000 1.411 323 F CB 0.015 38.780 39.000 -0.392 0.000 1.131 323 F HN -0.274 nan 8.300 nan 0.000 0.582 324 F N 0.704 120.666 119.950 0.020 0.000 2.335 324 F HA 0.111 4.638 4.527 -0.000 0.000 0.296 324 F C 2.329 178.074 175.800 -0.092 0.000 1.091 324 F CA 0.857 58.802 58.000 -0.093 0.000 1.399 324 F CB -0.805 38.221 39.000 0.044 0.000 1.067 324 F HN -0.194 nan 8.300 nan 0.000 0.520 325 K N 0.817 121.307 120.400 0.150 0.000 2.077 325 K HA -0.244 4.076 4.320 -0.000 0.000 0.213 325 K C 1.314 177.939 176.600 0.043 0.000 1.051 325 K CA 2.141 58.479 56.287 0.085 0.000 0.929 325 K CB -0.341 32.209 32.500 0.083 0.000 0.715 325 K HN 0.361 nan 8.250 nan 0.000 0.451 326 D N -1.000 119.407 120.400 0.012 0.000 2.328 326 D HA -0.048 4.592 4.640 -0.000 0.000 0.226 326 D C 0.582 176.946 176.300 0.107 0.000 1.066 326 D CA 0.390 54.417 54.000 0.045 0.000 0.861 326 D CB 0.373 41.175 40.800 0.004 0.000 0.912 326 D HN 0.256 nan 8.370 nan 0.000 0.521 327 K N -0.084 120.315 120.400 -0.003 0.000 2.402 327 K HA 0.315 4.635 4.320 -0.000 0.000 0.203 327 K C 0.389 176.720 176.600 -0.447 0.000 1.077 327 K CA 0.003 56.258 56.287 -0.055 0.000 1.051 327 K CB 1.622 33.952 32.500 -0.283 0.000 0.907 327 K HN 0.083 nan 8.250 nan 0.000 0.554 328 I N 1.628 122.013 120.570 -0.309 0.000 2.509 328 I HA 0.334 4.504 4.170 -0.000 0.000 0.293 328 I C -1.423 174.529 176.117 -0.275 0.000 1.020 328 I CA -1.256 59.797 61.300 -0.411 0.000 1.088 328 I CB 2.050 39.947 38.000 -0.172 0.000 1.267 328 I HN -0.160 nan 8.210 nan 0.000 0.430 329 L N 7.175 128.216 121.223 -0.304 0.000 2.476 329 L HA 0.535 4.875 4.340 -0.000 0.000 0.269 329 L C -1.447 175.369 176.870 -0.090 0.000 0.965 329 L CA -0.130 54.674 54.840 -0.060 0.000 0.845 329 L CB 1.718 43.924 42.059 0.246 0.000 1.259 329 L HN 0.422 nan 8.230 nan 0.000 0.403 330 L N 5.321 126.492 121.223 -0.086 0.000 2.295 330 L HA 0.647 4.986 4.340 -0.000 0.000 0.285 330 L C -0.101 176.761 176.870 -0.013 0.000 1.035 330 L CA -0.638 54.168 54.840 -0.057 0.000 0.806 330 L CB 1.452 43.500 42.059 -0.019 0.000 1.214 330 L HN 0.630 nan 8.230 nan 0.000 0.426 331 R N 2.695 123.162 120.500 -0.054 0.000 2.892 331 R HA 0.580 4.920 4.340 -0.000 0.000 0.265 331 R C -2.665 173.607 176.300 -0.047 0.000 1.025 331 R CA -2.044 54.030 56.100 -0.044 0.000 0.982 331 R CB 1.341 31.621 30.300 -0.034 0.000 1.185 331 R HN 0.284 nan 8.270 nan 0.000 0.484 332 P HA -0.026 nan 4.420 nan 0.000 0.274 332 P C -0.074 177.221 177.300 -0.009 0.000 1.231 332 P CA -0.267 62.849 63.100 0.026 0.000 0.790 332 P CB 0.630 32.402 31.700 0.121 0.000 0.951 333 Q N 1.643 121.380 119.800 -0.105 0.000 2.364 333 Q HA -0.252 4.088 4.340 -0.000 0.000 0.209 333 Q C 1.550 177.512 176.000 -0.062 0.000 0.977 333 Q CA 1.536 57.246 55.803 -0.155 0.000 0.885 333 Q CB -0.592 28.063 28.738 -0.138 0.000 0.941 333 Q HN 0.546 nan 8.270 nan 0.000 0.464 334 E N 0.062 120.246 120.200 -0.025 0.000 2.204 334 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 334 E C 0.761 177.207 176.600 -0.257 0.000 0.990 334 E CA 1.120 57.439 56.400 -0.135 0.000 0.821 334 E CB 0.023 29.628 29.700 -0.159 0.000 0.750 334 E HN 0.585 nan 8.360 nan 0.000 0.477 335 Y N -0.381 119.888 120.300 -0.052 0.000 2.464 335 Y HA 0.045 4.595 4.550 -0.000 0.000 0.288 335 Y C 2.749 178.657 175.900 0.013 0.000 1.133 335 Y CA 0.754 58.847 58.100 -0.011 0.000 1.223 335 Y CB -0.108 38.351 38.460 -0.001 0.000 1.187 335 Y HN 0.135 nan 8.280 nan 0.000 0.539 336 S N 0.241 115.980 115.700 0.065 0.000 2.419 336 S HA -0.161 4.309 4.470 -0.000 0.000 0.235 336 S C 0.981 175.572 174.600 -0.016 0.000 1.019 336 S CA 1.772 59.904 58.200 -0.112 0.000 0.982 336 S CB -0.437 62.634 63.200 -0.215 0.000 0.789 336 S HN 0.378 nan 8.310 nan 0.000 0.490 337 N N 1.449 120.097 118.700 -0.087 0.000 2.234 337 N HA 0.243 4.983 4.740 -0.000 0.000 0.227 337 N C -0.610 174.710 175.510 -0.317 0.000 1.151 337 N CA -0.208 52.631 53.050 -0.352 0.000 0.865 337 N CB -0.057 38.280 38.487 -0.250 0.000 1.066 337 N HN 0.382 nan 8.380 nan 0.000 0.515 338 N N 1.830 120.448 118.700 -0.136 0.000 2.452 338 N HA 0.049 4.789 4.740 -0.000 0.000 0.266 338 N C -1.675 173.755 175.510 -0.134 0.000 1.209 338 N CA -1.142 51.825 53.050 -0.139 0.000 0.929 338 N CB 1.478 39.889 38.487 -0.127 0.000 1.063 338 N HN -0.030 nan 8.380 nan 0.000 0.472 339 P HA -0.176 nan 4.420 nan 0.000 0.215 339 P C 1.047 178.303 177.300 -0.074 0.000 1.157 339 P CA 1.254 64.289 63.100 -0.109 0.000 0.874 339 P CB 0.278 31.922 31.700 -0.093 0.000 0.790 340 E N -0.542 119.614 120.200 -0.073 0.000 2.038 340 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 340 E C 1.755 178.312 176.600 -0.072 0.000 1.000 340 E CA 1.390 57.754 56.400 -0.061 0.000 0.803 340 E CB -0.319 29.341 29.700 -0.066 0.000 0.750 340 E HN -0.004 nan 8.360 nan 0.000 0.448 341 I N 0.829 121.348 120.570 -0.084 0.000 2.202 341 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 341 I C 2.594 178.617 176.117 -0.157 0.000 1.091 341 I CA 0.691 61.910 61.300 -0.135 0.000 1.368 341 I CB -1.481 36.462 38.000 -0.094 0.000 1.058 341 I HN 0.085 nan 8.210 nan 0.000 0.410 342 V N 1.248 121.119 119.914 -0.071 0.000 2.252 342 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 342 V C 2.821 178.917 176.094 0.004 0.000 1.056 342 V CA 2.331 64.630 62.300 -0.002 0.000 1.022 342 V CB -0.853 30.982 31.823 0.020 0.000 0.641 342 V HN 0.375 nan 8.190 nan 0.000 0.445 343 R N -0.200 120.298 120.500 -0.003 0.000 2.092 343 R HA -0.146 4.194 4.340 -0.000 0.000 0.231 343 R C 2.534 178.847 176.300 0.023 0.000 1.119 343 R CA 1.556 57.668 56.100 0.021 0.000 0.970 343 R CB -0.269 30.035 30.300 0.007 0.000 0.864 343 R HN 0.457 nan 8.270 nan 0.000 0.440 344 R N 0.443 120.936 120.500 -0.011 0.000 2.073 344 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 344 R C 1.978 178.279 176.300 0.001 0.000 1.134 344 R CA 1.513 57.613 56.100 0.000 0.000 0.952 344 R CB -0.235 30.051 30.300 -0.024 0.000 0.850 344 R HN 0.282 nan 8.270 nan 0.000 0.433 345 L N -0.155 121.031 121.223 -0.062 0.000 2.376 345 L HA 0.131 4.471 4.340 -0.000 0.000 0.219 345 L C 1.086 177.939 176.870 -0.028 0.000 1.133 345 L CA 0.651 55.443 54.840 -0.081 0.000 0.816 345 L CB -0.263 41.668 42.059 -0.213 0.000 0.933 345 L HN 0.620 nan 8.230 nan 0.000 0.449 346 G N 1.001 109.832 108.800 0.052 0.000 2.256 346 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.272 346 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.272 346 G C 0.099 175.023 174.900 0.040 0.000 1.076 346 G CA -0.003 45.201 45.100 0.173 0.000 0.882 346 G HN 0.092 nan 8.290 nan 0.000 0.497 347 V N 0.824 120.768 119.914 0.050 0.000 2.599 347 V HA 0.187 4.307 4.120 -0.000 0.000 0.300 347 V C 1.359 177.488 176.094 0.058 0.000 1.034 347 V CA 0.276 62.604 62.300 0.047 0.000 1.115 347 V CB 0.950 32.879 31.823 0.177 0.000 0.934 347 V HN 0.382 nan 8.190 nan 0.000 0.485 348 I N 5.261 125.799 120.570 -0.054 0.000 2.325 348 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 348 I C 0.673 176.764 176.117 -0.044 0.000 1.019 348 I CA 0.013 61.286 61.300 -0.044 0.000 1.302 348 I CB 1.381 39.280 38.000 -0.168 0.000 1.401 348 I HN 0.773 nan 8.210 nan 0.000 0.485 349 T N 4.945 119.491 114.554 -0.013 0.000 2.829 349 T HA 0.751 5.101 4.350 -0.000 0.000 0.282 349 T C -0.479 174.124 174.700 -0.162 0.000 0.990 349 T CA -0.648 61.398 62.100 -0.091 0.000 1.028 349 T CB 1.417 70.273 68.868 -0.020 0.000 0.951 349 T HN 0.343 nan 8.240 nan 0.000 0.460 350 I N 3.234 123.675 120.570 -0.214 0.000 2.468 350 I HA 0.425 4.595 4.170 -0.000 0.000 0.284 350 I C -0.391 175.566 176.117 -0.267 0.000 1.038 350 I CA -0.815 60.352 61.300 -0.221 0.000 1.083 350 I CB 1.454 39.383 38.000 -0.117 0.000 1.223 350 I HN 0.632 nan 8.210 nan 0.000 0.443 351 N N 2.826 121.277 118.700 -0.414 0.000 2.469 351 N HA 0.529 5.269 4.740 -0.000 0.000 0.286 351 N C -0.554 174.908 175.510 -0.081 0.000 1.275 351 N CA -0.508 52.365 53.050 -0.294 0.000 0.790 351 N CB 2.618 40.864 38.487 -0.402 0.000 1.446 351 N HN 0.591 nan 8.380 nan 0.000 0.501 352 T N -2.007 112.602 114.554 0.092 0.000 2.881 352 T HA 0.780 5.130 4.350 -0.000 0.000 0.278 352 T C -0.325 174.551 174.700 0.294 0.000 0.982 352 T CA -0.682 61.518 62.100 0.168 0.000 0.989 352 T CB 1.391 70.319 68.868 0.099 0.000 1.058 352 T HN 0.516 nan 8.240 nan 0.000 0.529 353 A N 1.740 124.665 122.820 0.175 0.000 2.374 353 A HA 0.640 4.960 4.320 -0.000 0.000 0.305 353 A C 0.996 178.584 177.584 0.006 0.000 1.053 353 A CA -0.956 51.128 52.037 0.078 0.000 0.726 353 A CB 0.969 19.949 19.000 -0.032 0.000 1.229 353 A HN 0.904 nan 8.150 nan 0.000 0.431 354 L N 0.595 121.829 121.223 0.018 0.000 2.056 354 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 354 L C 1.157 177.990 176.870 -0.062 0.000 1.078 354 L CA 1.757 56.597 54.840 -0.000 0.000 0.749 354 L CB -0.107 41.972 42.059 0.033 0.000 0.901 354 L HN 0.940 nan 8.230 nan 0.000 0.433 355 E N -1.332 118.812 120.200 -0.093 0.000 2.423 355 E HA 0.682 5.032 4.350 -0.000 0.000 0.280 355 E C -1.530 174.935 176.600 -0.225 0.000 1.030 355 E CA -0.888 55.406 56.400 -0.178 0.000 0.812 355 E CB 2.149 31.808 29.700 -0.068 0.000 1.313 355 E HN -0.073 nan 8.360 nan 0.000 0.456 356 A N 1.245 123.870 122.820 -0.325 0.000 2.556 356 A HA 0.665 4.985 4.320 -0.000 0.000 0.294 356 A C -1.719 175.799 177.584 -0.109 0.000 1.091 356 A CA -0.499 51.398 52.037 -0.233 0.000 0.704 356 A CB 1.640 20.488 19.000 -0.253 0.000 1.300 356 A HN 0.791 nan 8.150 nan 0.000 0.406 357 D N -0.611 119.761 120.400 -0.047 0.000 2.392 357 D HA 0.425 5.065 4.640 -0.000 0.000 0.246 357 D C 1.017 177.280 176.300 -0.061 0.000 1.013 357 D CA -0.402 53.572 54.000 -0.043 0.000 0.993 357 D CB 0.429 41.208 40.800 -0.035 0.000 1.219 357 D HN 0.618 nan 8.370 nan 0.000 0.538 358 I N -3.098 117.316 120.570 -0.260 0.000 3.164 358 I HA -0.016 4.154 4.170 -0.000 0.000 0.278 358 I C 0.216 175.948 176.117 -0.641 0.000 1.320 358 I CA 0.800 61.814 61.300 -0.477 0.000 1.422 358 I CB -0.716 36.877 38.000 -0.677 0.000 1.066 358 I HN 0.128 nan 8.210 nan 0.000 0.503 359 F N 1.660 121.599 119.950 -0.019 0.000 2.639 359 F HA 0.476 5.003 4.527 -0.000 0.000 0.302 359 F C 1.755 177.542 175.800 -0.022 0.000 1.097 359 F CA 0.278 58.265 58.000 -0.021 0.000 1.294 359 F CB 0.767 39.755 39.000 -0.020 0.000 1.027 359 F HN 0.233 nan 8.300 nan 0.000 0.550 360 G N 0.482 109.328 108.800 0.076 0.000 2.141 360 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 360 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 360 G C -0.140 174.768 174.900 0.015 0.000 0.982 360 G CA -0.502 44.629 45.100 0.052 0.000 0.662 360 G HN 0.306 nan 8.290 nan 0.000 0.527 361 N N -0.066 118.639 118.700 0.007 0.000 2.498 361 N HA 0.609 5.349 4.740 -0.000 0.000 0.287 361 N C -0.509 174.907 175.510 -0.156 0.000 1.097 361 N CA 0.032 53.051 53.050 -0.051 0.000 0.973 361 N CB 1.541 39.996 38.487 -0.054 0.000 1.153 361 N HN 0.124 nan 8.380 nan 0.000 0.472 362 I N 1.712 122.170 120.570 -0.186 0.000 2.530 362 I HA 0.200 4.370 4.170 -0.000 0.000 0.297 362 I C 0.029 176.085 176.117 -0.102 0.000 1.011 362 I CA -0.679 60.475 61.300 -0.242 0.000 1.107 362 I CB 1.498 39.123 38.000 -0.624 0.000 1.285 362 I HN 0.386 nan 8.210 nan 0.000 0.436 363 N N 2.913 121.571 118.700 -0.070 0.000 2.417 363 N HA 0.375 5.115 4.740 -0.000 0.000 0.274 363 N C -0.424 175.151 175.510 0.109 0.000 0.987 363 N CA -0.381 52.698 53.050 0.048 0.000 0.912 363 N CB 1.275 39.791 38.487 0.047 0.000 1.177 363 N HN 0.516 nan 8.380 nan 0.000 0.490 364 S N 0.659 116.488 115.700 0.215 0.000 2.846 364 S HA 0.141 4.611 4.470 -0.000 0.000 0.249 364 S C 0.728 175.463 174.600 0.224 0.000 1.028 364 S CA 0.142 58.482 58.200 0.233 0.000 1.043 364 S CB -0.215 63.200 63.200 0.358 0.000 0.990 364 S HN 0.665 nan 8.310 nan 0.000 0.564 365 T N -2.355 112.337 114.554 0.230 0.000 3.236 365 T HA 0.286 4.636 4.350 -0.000 0.000 0.265 365 T C -0.294 174.411 174.700 0.010 0.000 0.912 365 T CA 0.079 62.276 62.100 0.160 0.000 0.946 365 T CB -0.129 68.897 68.868 0.264 0.000 1.241 365 T HN 0.341 nan 8.240 nan 0.000 0.513 366 H N 1.298 120.296 119.070 -0.120 0.000 2.504 366 H HA 0.702 5.258 4.556 -0.000 0.000 0.322 366 H C -0.584 174.693 175.328 -0.086 0.000 1.055 366 H CA -0.742 55.197 56.048 -0.182 0.000 1.231 366 H CB 1.439 30.964 29.762 -0.395 0.000 1.417 366 H HN 0.100 nan 8.280 nan 0.000 0.472 367 V N 3.133 123.040 119.914 -0.010 0.000 2.508 367 V HA 0.027 4.147 4.120 -0.000 0.000 0.281 367 V C 0.724 176.818 176.094 0.001 0.000 1.041 367 V CA 0.146 62.447 62.300 0.001 0.000 1.016 367 V CB 0.963 32.771 31.823 -0.025 0.000 0.984 367 V HN 1.122 nan 8.190 nan 0.000 0.478 368 S N 3.882 119.588 115.700 0.011 0.000 3.445 368 S HA -0.252 4.218 4.470 -0.000 0.000 0.319 368 S C 1.491 175.993 174.600 -0.163 0.000 1.209 368 S CA 1.435 59.601 58.200 -0.056 0.000 0.934 368 S CB -1.444 61.748 63.200 -0.015 0.000 0.999 368 S HN 2.141 nan 8.310 nan 0.000 0.582 369 G N -0.677 108.066 108.800 -0.095 0.000 2.189 369 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.267 369 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.267 369 G C 0.704 175.598 174.900 -0.010 0.000 0.975 369 G CA 1.648 46.701 45.100 -0.079 0.000 0.644 369 G HN 1.535 nan 8.290 nan 0.000 0.537 370 T N -3.778 110.798 114.554 0.036 0.000 3.075 370 T HA 0.415 4.765 4.350 -0.000 0.000 0.251 370 T C 1.292 176.024 174.700 0.054 0.000 0.979 370 T CA 0.502 62.649 62.100 0.078 0.000 1.033 370 T CB 0.594 69.463 68.868 0.002 0.000 1.104 370 T HN 0.441 nan 8.240 nan 0.000 0.473 375 G N 0.450 109.158 108.800 -0.154 0.000 2.340 375 G HA2 0.235 4.195 3.960 -0.000 0.000 0.300 375 G HA3 0.235 4.195 3.960 -0.000 0.000 0.300 375 G C -0.304 174.816 174.900 0.367 0.000 1.488 375 G CA -0.673 44.510 45.100 0.139 0.000 0.878 375 G HN 0.218 nan 8.290 nan 0.000 0.618 376 I N 0.681 121.441 120.570 0.317 0.000 2.423 376 I HA 0.137 4.307 4.170 -0.000 0.000 0.254 376 I C 1.878 178.235 176.117 0.400 0.000 1.151 376 I CA 2.549 64.044 61.300 0.324 0.000 1.421 376 I CB -0.283 37.830 38.000 0.188 0.000 1.079 376 I HN 1.751 nan 8.210 nan 0.000 0.431 377 G N 0.108 109.173 108.800 0.441 0.000 2.574 377 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.286 377 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.286 377 G C 0.666 175.739 174.900 0.288 0.000 1.212 377 G CA 0.008 45.266 45.100 0.264 0.000 0.979 377 G HN 0.596 nan 8.290 nan 0.000 0.557 378 G N -0.347 108.630 108.800 0.295 0.000 3.337 378 G HA2 0.455 4.415 3.960 -0.000 0.000 0.246 378 G HA3 0.455 4.415 3.960 -0.000 0.000 0.246 378 G C 1.724 176.930 174.900 0.511 0.000 1.131 378 G CA 1.356 46.689 45.100 0.389 0.000 0.773 378 G HN 1.790 nan 8.290 nan 0.000 0.544 379 S N -0.039 115.940 115.700 0.464 0.000 2.399 379 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 379 S C 2.326 177.263 174.600 0.562 0.000 1.022 379 S CA 1.449 59.929 58.200 0.466 0.000 0.983 379 S CB -0.352 63.140 63.200 0.487 0.000 0.803 379 S HN 0.298 nan 8.310 nan 0.000 0.480 380 G N 1.785 110.954 108.800 0.615 0.000 2.395 380 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 380 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 380 G C 1.181 176.183 174.900 0.170 0.000 1.177 380 G CA 0.769 46.158 45.100 0.480 0.000 0.794 380 G HN 0.472 nan 8.290 nan 0.000 0.532 381 D N 0.522 120.967 120.400 0.076 0.000 2.133 381 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 381 D C 2.134 178.328 176.300 -0.177 0.000 0.997 381 D CA 0.947 54.858 54.000 -0.149 0.000 0.840 381 D CB -0.203 40.435 40.800 -0.271 0.000 0.947 381 D HN 0.333 nan 8.370 nan 0.000 0.452 382 F N 1.178 121.183 119.950 0.093 0.000 2.074 382 F HA -0.077 4.449 4.527 -0.000 0.000 0.290 382 F C 2.812 178.647 175.800 0.058 0.000 1.118 382 F CA 0.885 58.925 58.000 0.067 0.000 1.199 382 F CB -1.119 37.908 39.000 0.045 0.000 1.012 382 F HN -0.164 nan 8.300 nan 0.000 0.472 383 T N 0.264 114.979 114.554 0.268 0.000 2.620 383 T HA -0.340 4.010 4.350 -0.000 0.000 0.267 383 T C 2.022 176.837 174.700 0.193 0.000 1.044 383 T CA 2.196 64.405 62.100 0.182 0.000 1.161 383 T CB -0.427 68.588 68.868 0.245 0.000 0.862 383 T HN -0.010 nan 8.240 nan 0.000 0.438 384 R N 1.801 122.418 120.500 0.195 0.000 2.103 384 R HA -0.050 4.290 4.340 -0.000 0.000 0.242 384 R C 1.448 177.802 176.300 0.090 0.000 1.142 384 R CA 2.019 58.202 56.100 0.137 0.000 0.960 384 R CB -0.615 29.734 30.300 0.082 0.000 0.858 384 R HN 0.535 nan 8.270 nan 0.000 0.439 385 N N -0.509 118.234 118.700 0.072 0.000 2.205 385 N HA 0.057 4.797 4.740 -0.000 0.000 0.201 385 N C -0.575 174.985 175.510 0.083 0.000 1.128 385 N CA 0.311 53.392 53.050 0.052 0.000 0.867 385 N CB 0.643 39.135 38.487 0.007 0.000 0.996 385 N HN 0.228 nan 8.380 nan 0.000 0.503 386 S N -0.608 115.166 115.700 0.123 0.000 2.584 386 S HA -0.025 4.445 4.470 -0.000 0.000 0.270 386 S C 0.965 175.656 174.600 0.151 0.000 1.346 386 S CA -0.584 57.707 58.200 0.152 0.000 1.018 386 S CB 0.621 63.912 63.200 0.152 0.000 0.899 386 S HN 0.258 nan 8.310 nan 0.000 0.542 387 Y N 2.269 122.590 120.300 0.034 0.000 2.128 387 Y HA 0.044 4.594 4.550 -0.000 0.000 0.284 387 Y C 0.504 176.432 175.900 0.047 0.000 1.154 387 Y CA 1.656 59.771 58.100 0.025 0.000 1.149 387 Y CB 0.121 38.579 38.460 -0.003 0.000 0.976 387 Y HN 0.513 nan 8.280 nan 0.000 0.505 388 V N 0.480 120.549 119.914 0.257 0.000 2.711 388 V HA 0.250 4.370 4.120 -0.000 0.000 0.304 388 V C -0.801 175.383 176.094 0.150 0.000 1.097 388 V CA -0.719 61.700 62.300 0.199 0.000 0.906 388 V CB 1.504 33.490 31.823 0.271 0.000 1.015 388 V HN 0.164 nan 8.190 nan 0.000 0.427 389 S N 5.292 121.065 115.700 0.122 0.000 2.480 389 S HA 0.857 5.327 4.470 -0.000 0.000 0.286 389 S C -0.686 173.930 174.600 0.028 0.000 1.180 389 S CA -0.547 57.684 58.200 0.051 0.000 1.075 389 S CB 1.114 64.367 63.200 0.087 0.000 0.996 389 S HN 0.556 nan 8.310 nan 0.000 0.487 390 I N 2.460 122.961 120.570 -0.114 0.000 2.569 390 I HA 0.525 4.695 4.170 -0.000 0.000 0.296 390 I C -1.221 174.704 176.117 -0.319 0.000 1.028 390 I CA -0.788 60.456 61.300 -0.093 0.000 1.082 390 I CB 1.759 39.743 38.000 -0.027 0.000 1.264 390 I HN 0.568 nan 8.210 nan 0.000 0.429 391 F N 2.663 122.609 119.950 -0.007 0.000 2.518 391 F HA 0.490 5.017 4.527 0.000 0.000 0.323 391 F C 0.391 176.193 175.800 0.003 0.000 1.129 391 F CA -0.509 57.482 58.000 -0.014 0.000 0.920 391 F CB 2.343 41.331 39.000 -0.021 0.000 1.160 391 F HN 0.384 nan 8.300 nan 0.000 0.440 392 T N -0.791 113.856 114.554 0.155 0.000 2.940 392 T HA 0.832 5.182 4.350 -0.000 0.000 0.288 392 T C -0.504 174.255 174.700 0.098 0.000 1.033 392 T CA -0.803 61.359 62.100 0.104 0.000 1.033 392 T CB 2.004 70.900 68.868 0.045 0.000 1.079 392 T HN 0.737 nan 8.240 nan 0.000 0.496 393 T N 1.962 116.562 114.554 0.077 0.000 3.610 393 T HA 0.377 4.727 4.350 -0.000 0.000 0.419 393 T C -3.270 171.464 174.700 0.057 0.000 1.582 393 T CA -0.943 61.176 62.100 0.032 0.000 1.146 393 T CB 1.394 70.228 68.868 -0.057 0.000 1.460 393 T HN 0.618 nan 8.240 nan 0.000 0.465 394 P HA 0.152 nan 4.420 nan 0.000 0.269 394 P C 1.082 178.462 177.300 0.133 0.000 1.209 394 P CA -0.018 63.116 63.100 0.057 0.000 0.776 394 P CB 0.849 32.566 31.700 0.027 0.000 0.876 395 S N 1.972 117.828 115.700 0.260 0.000 2.382 395 S HA -0.037 4.433 4.470 -0.000 0.000 0.228 395 S C 1.082 175.877 174.600 0.325 0.000 1.027 395 S CA 1.314 59.803 58.200 0.483 0.000 0.991 395 S CB -0.981 62.656 63.200 0.728 0.000 0.823 395 S HN 0.516 nan 8.310 nan 0.000 0.469 399 D N 0.821 121.235 120.400 0.024 0.000 2.792 399 D HA -0.227 4.413 4.640 -0.000 0.000 0.231 399 D C 0.896 177.210 176.300 0.022 0.000 1.160 399 D CA 2.149 56.166 54.000 0.028 0.000 0.697 399 D CB -0.799 40.013 40.800 0.021 0.000 1.070 399 D HN 0.851 nan 8.370 nan 0.000 0.426 400 G N -0.349 108.466 108.800 0.025 0.000 2.195 400 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.246 400 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.246 400 G C 1.054 175.995 174.900 0.068 0.000 0.984 400 G CA 0.695 45.801 45.100 0.010 0.000 0.633 400 G HN 0.480 nan 8.290 nan 0.000 0.525 401 K N -0.302 120.123 120.400 0.042 0.000 2.365 401 K HA 0.279 4.599 4.320 -0.000 0.000 0.199 401 K C 0.846 177.478 176.600 0.053 0.000 1.045 401 K CA 0.664 56.977 56.287 0.044 0.000 0.962 401 K CB 0.274 32.779 32.500 0.007 0.000 0.759 401 K HN 0.492 nan 8.250 nan 0.000 0.469 402 I N 0.346 120.929 120.570 0.022 0.000 2.465 402 I HA 0.072 4.242 4.170 -0.000 0.000 0.291 402 I C -0.473 175.543 176.117 -0.168 0.000 1.014 402 I CA -0.736 60.525 61.300 -0.067 0.000 1.093 402 I CB 2.093 40.064 38.000 -0.048 0.000 1.267 402 I HN -0.149 nan 8.210 nan 0.000 0.431 403 S N 3.086 118.535 115.700 -0.418 0.000 2.480 403 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 403 S C 0.898 175.357 174.600 -0.234 0.000 1.180 403 S CA -0.472 57.395 58.200 -0.555 0.000 1.075 403 S CB 1.381 63.858 63.200 -1.204 0.000 0.996 403 S HN 0.627 nan 8.310 nan 0.000 0.487 404 S N 3.608 119.219 115.700 -0.148 0.000 2.481 404 S HA 0.175 4.645 4.470 -0.000 0.000 0.231 404 S C -0.255 174.046 174.600 -0.497 0.000 0.996 404 S CA 0.564 58.594 58.200 -0.283 0.000 0.942 404 S CB -0.256 62.746 63.200 -0.329 0.000 0.768 404 S HN 0.685 nan 8.310 nan 0.000 0.520 405 F N 1.393 121.290 119.950 -0.088 0.000 2.444 405 F HA 0.563 5.090 4.527 -0.000 0.000 0.342 405 F C 0.106 175.799 175.800 -0.177 0.000 1.121 405 F CA -1.046 56.892 58.000 -0.103 0.000 0.997 405 F CB 1.419 40.381 39.000 -0.063 0.000 1.130 405 F HN -0.166 nan 8.300 nan 0.000 0.454 406 V N 1.105 120.949 119.914 -0.117 0.000 3.102 406 V HA 0.743 4.863 4.120 -0.000 0.000 0.312 406 V C -2.887 172.942 176.094 -0.441 0.000 1.135 406 V CA -3.047 59.023 62.300 -0.382 0.000 1.022 406 V CB 1.898 33.581 31.823 -0.233 0.000 1.056 406 V HN 0.388 nan 8.190 nan 0.000 0.436 410 A N 1.910 124.739 122.820 0.015 0.000 2.216 410 A HA 0.222 4.542 4.320 -0.000 0.000 0.214 410 A C 0.696 178.270 177.584 -0.017 0.000 1.160 410 A CA 2.002 53.875 52.037 -0.273 0.000 0.725 410 A CB -0.647 17.934 19.000 -0.699 0.000 0.784 410 A HN 1.959 nan 8.150 nan 0.000 0.472 411 H N -0.959 118.085 119.070 -0.043 0.000 3.128 411 H HA 0.322 4.878 4.556 -0.000 0.000 0.336 411 H C -1.209 174.118 175.328 -0.003 0.000 1.026 411 H CA -0.659 55.375 56.048 -0.024 0.000 1.376 411 H CB 0.419 30.109 29.762 -0.120 0.000 1.882 411 H HN 0.350 nan 8.280 nan 0.000 0.479 412 H N 4.818 123.618 119.070 -0.451 0.000 2.652 412 H HA 0.129 4.685 4.556 -0.000 0.000 0.298 412 H C -0.149 174.959 175.328 -0.367 0.000 1.076 412 H CA -0.237 55.639 56.048 -0.287 0.000 1.360 412 H CB 1.304 30.961 29.762 -0.176 0.000 1.421 412 H HN 0.731 nan 8.280 nan 0.000 0.464 413 D N 1.734 122.043 120.400 -0.151 0.000 2.431 413 D HA 0.020 4.660 4.640 -0.000 0.000 0.227 413 D C -0.075 175.894 176.300 -0.552 0.000 1.030 413 D CA 0.791 54.625 54.000 -0.277 0.000 0.897 413 D CB 0.846 41.547 40.800 -0.164 0.000 1.058 413 D HN 0.610 nan 8.370 nan 0.000 0.500 414 H N -0.708 118.380 119.070 0.031 0.000 2.679 414 H HA 0.411 4.967 4.556 -0.000 0.000 0.360 414 H C -0.219 175.130 175.328 0.034 0.000 1.105 414 H CA -0.763 55.317 56.048 0.054 0.000 1.196 414 H CB 1.819 31.581 29.762 -0.000 0.000 1.636 414 H HN -0.192 nan 8.280 nan 0.000 0.531 415 S N 0.986 116.794 115.700 0.181 0.000 2.713 415 S HA 0.103 4.573 4.470 -0.000 0.000 0.283 415 S C 1.236 175.876 174.600 0.067 0.000 1.161 415 S CA -0.528 57.754 58.200 0.138 0.000 0.999 415 S CB 1.297 64.607 63.200 0.184 0.000 1.039 415 S HN 0.914 nan 8.310 nan 0.000 0.548 416 E N 0.113 120.275 120.200 -0.062 0.000 2.273 416 E HA -0.263 4.087 4.350 -0.000 0.000 0.198 416 E C 0.998 177.490 176.600 -0.181 0.000 1.002 416 E CA 1.616 57.929 56.400 -0.146 0.000 0.828 416 E CB -0.668 28.885 29.700 -0.246 0.000 0.747 416 E HN 0.791 nan 8.360 nan 0.000 0.491 417 H N -0.138 118.989 119.070 0.096 0.000 2.548 417 H HA 0.205 4.761 4.556 -0.000 0.000 0.268 417 H C 1.221 176.610 175.328 0.101 0.000 0.975 417 H CA 1.014 57.112 56.048 0.084 0.000 1.195 417 H CB 0.631 30.432 29.762 0.064 0.000 1.397 417 H HN 0.192 nan 8.280 nan 0.000 0.572 418 S N 0.038 115.863 115.700 0.208 0.000 2.539 418 S HA 0.101 4.571 4.470 -0.000 0.000 0.226 418 S C 0.820 175.557 174.600 0.228 0.000 1.054 418 S CA -0.220 58.110 58.200 0.217 0.000 0.910 418 S CB 1.001 64.356 63.200 0.258 0.000 0.818 418 S HN -0.056 nan 8.310 nan 0.000 0.490 419 V N 4.133 124.172 119.914 0.208 0.000 2.389 419 V HA 0.253 4.373 4.120 -0.000 0.000 0.264 419 V C 0.762 176.965 176.094 0.182 0.000 1.049 419 V CA -0.053 62.393 62.300 0.244 0.000 0.932 419 V CB 0.963 32.875 31.823 0.149 0.000 1.011 419 V HN 0.195 nan 8.190 nan 0.000 0.475 420 K N 3.494 124.007 120.400 0.188 0.000 2.276 420 K HA 0.284 4.604 4.320 -0.000 0.000 0.198 420 K C 0.108 176.779 176.600 0.119 0.000 1.052 420 K CA 0.685 57.058 56.287 0.143 0.000 0.984 420 K CB 0.696 33.282 32.500 0.143 0.000 0.836 420 K HN 0.482 nan 8.250 nan 0.000 0.490 421 V N 1.802 121.787 119.914 0.117 0.000 2.888 421 V HA 0.450 4.570 4.120 -0.000 0.000 0.309 421 V C -0.714 175.417 176.094 0.062 0.000 1.114 421 V CA -0.872 61.439 62.300 0.019 0.000 0.940 421 V CB 2.698 34.452 31.823 -0.115 0.000 1.021 421 V HN -0.029 nan 8.190 nan 0.000 0.426 422 I N 4.534 125.121 120.570 0.027 0.000 2.545 422 I HA 0.609 4.779 4.170 -0.000 0.000 0.292 422 I C -1.073 175.073 176.117 0.049 0.000 1.040 422 I CA -0.538 60.830 61.300 0.113 0.000 1.068 422 I CB 2.208 40.323 38.000 0.192 0.000 1.251 422 I HN 0.420 nan 8.210 nan 0.000 0.424 423 I N 4.728 125.353 120.570 0.091 0.000 2.534 423 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 423 I C -0.103 176.090 176.117 0.127 0.000 1.077 423 I CA -0.158 61.176 61.300 0.057 0.000 1.051 423 I CB 2.240 40.230 38.000 -0.017 0.000 1.234 423 I HN 0.683 nan 8.210 nan 0.000 0.425 424 S N 3.785 119.571 115.700 0.143 0.000 2.823 424 S HA 0.371 4.841 4.470 -0.000 0.000 0.316 424 S C 0.817 175.434 174.600 0.028 0.000 1.116 424 S CA -0.591 57.698 58.200 0.149 0.000 0.911 424 S CB 1.383 64.773 63.200 0.316 0.000 1.276 424 S HN 0.684 nan 8.310 nan 0.000 0.565 425 E N 0.129 120.263 120.200 -0.109 0.000 2.268 425 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 425 E C 1.073 177.501 176.600 -0.288 0.000 0.995 425 E CA 0.795 57.031 56.400 -0.274 0.000 0.836 425 E CB -0.460 28.954 29.700 -0.476 0.000 0.763 425 E HN 0.839 nan 8.360 nan 0.000 0.491 426 W N 1.725 123.037 121.300 0.020 0.000 2.658 426 W HA 0.241 4.901 4.660 -0.000 0.000 0.263 426 W C 1.174 177.681 176.519 -0.020 0.000 1.274 426 W CA 0.438 57.774 57.345 -0.014 0.000 1.343 426 W CB 0.483 29.920 29.460 -0.038 0.000 1.106 426 W HN 0.309 nan 8.180 nan 0.000 0.615 427 G N -0.677 108.229 108.800 0.178 0.000 2.343 427 G HA2 0.275 4.235 3.960 -0.000 0.000 0.289 427 G HA3 0.275 4.235 3.960 -0.000 0.000 0.289 427 G C -1.654 173.270 174.900 0.041 0.000 1.295 427 G CA -0.547 44.611 45.100 0.097 0.000 0.869 427 G HN 0.270 nan 8.290 nan 0.000 0.522 428 V N -2.333 117.576 119.914 -0.008 0.000 2.628 428 V HA 0.949 5.069 4.120 -0.000 0.000 0.306 428 V C 0.196 176.235 176.094 -0.093 0.000 1.045 428 V CA -0.128 62.114 62.300 -0.097 0.000 0.905 428 V CB 1.451 33.126 31.823 -0.246 0.000 0.997 428 V HN 2.443 nan 8.190 nan 0.000 0.436 429 A N 3.159 125.917 122.820 -0.103 0.000 2.328 429 A HA 0.546 4.866 4.320 -0.000 0.000 0.318 429 A C -0.354 177.188 177.584 -0.070 0.000 1.347 429 A CA -0.399 51.599 52.037 -0.064 0.000 0.842 429 A CB 0.369 19.342 19.000 -0.044 0.000 1.148 429 A HN 0.924 nan 8.150 nan 0.000 0.499 430 D N 2.893 123.265 120.400 -0.046 0.000 2.336 430 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 430 D C 0.489 176.814 176.300 0.043 0.000 1.213 430 D CA -0.255 53.748 54.000 0.006 0.000 0.870 430 D CB 0.908 41.766 40.800 0.096 0.000 1.076 430 D HN 0.280 nan 8.370 nan 0.000 0.483 431 L N 3.492 124.747 121.223 0.052 0.000 2.509 431 L HA 0.128 4.467 4.340 -0.000 0.000 0.222 431 L C 1.227 178.140 176.870 0.072 0.000 1.123 431 L CA 0.457 55.333 54.840 0.061 0.000 0.856 431 L CB -0.519 41.580 42.059 0.066 0.000 0.985 431 L HN 0.233 nan 8.230 nan 0.000 0.456 432 R N -0.005 120.546 120.500 0.084 0.000 2.538 432 R HA 0.293 4.633 4.340 -0.000 0.000 0.282 432 R C 1.269 177.611 176.300 0.070 0.000 1.009 432 R CA 0.817 56.966 56.100 0.081 0.000 1.063 432 R CB -0.179 30.176 30.300 0.092 0.000 0.945 432 R HN 0.325 nan 8.270 nan 0.000 0.414 433 G N 1.970 110.808 108.800 0.063 0.000 2.155 433 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 433 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 433 G C -0.198 174.735 174.900 0.055 0.000 0.983 433 G CA 0.276 45.409 45.100 0.055 0.000 0.676 433 G HN 0.506 nan 8.290 nan 0.000 0.528 434 K N 0.324 120.761 120.400 0.060 0.000 2.259 434 K HA 0.427 4.747 4.320 -0.000 0.000 0.249 434 K C 0.606 177.246 176.600 0.067 0.000 0.942 434 K CA -0.434 55.890 56.287 0.062 0.000 0.816 434 K CB 1.373 33.911 32.500 0.065 0.000 1.155 434 K HN 0.493 nan 8.250 nan 0.000 0.428 435 N N 0.961 119.704 118.700 0.070 0.000 2.405 435 N HA 0.197 4.937 4.740 -0.000 0.000 0.269 435 N C -2.100 173.476 175.510 0.110 0.000 1.249 435 N CA -1.460 51.633 53.050 0.073 0.000 0.974 435 N CB 0.675 39.199 38.487 0.061 0.000 1.204 435 N HN 0.015 nan 8.380 nan 0.000 0.565 436 P HA -0.155 nan 4.420 nan 0.000 0.215 436 P C 1.094 178.610 177.300 0.360 0.000 1.157 436 P CA 1.626 64.895 63.100 0.282 0.000 0.874 436 P CB 0.078 31.831 31.700 0.089 0.000 0.790 437 R N -0.310 120.337 120.500 0.245 0.000 2.075 437 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 437 R C 2.265 178.683 176.300 0.196 0.000 1.126 437 R CA 1.404 57.631 56.100 0.212 0.000 0.963 437 R CB -0.528 29.882 30.300 0.183 0.000 0.858 437 R HN 0.354 nan 8.270 nan 0.000 0.435 438 E N 0.276 120.573 120.200 0.161 0.000 2.106 438 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 438 E C 1.990 178.652 176.600 0.103 0.000 0.984 438 E CA 1.183 57.666 56.400 0.138 0.000 0.806 438 E CB -0.035 29.720 29.700 0.091 0.000 0.750 438 E HN 0.380 nan 8.360 nan 0.000 0.458 439 R N 0.694 121.243 120.500 0.082 0.000 2.193 439 R HA 0.161 4.501 4.340 -0.000 0.000 0.213 439 R C 2.110 178.386 176.300 -0.040 0.000 1.055 439 R CA 0.931 57.054 56.100 0.039 0.000 0.995 439 R CB -0.098 30.237 30.300 0.058 0.000 0.893 439 R HN 0.054 nan 8.270 nan 0.000 0.459 440 A N 1.326 124.083 122.820 -0.105 0.000 1.872 440 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 440 A C 1.636 179.067 177.584 -0.254 0.000 1.187 440 A CA 1.407 53.255 52.037 -0.315 0.000 0.614 440 A CB -0.758 17.933 19.000 -0.515 0.000 0.826 440 A HN 0.512 nan 8.150 nan 0.000 0.442 441 H N -1.202 117.818 119.070 -0.083 0.000 2.389 441 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 441 H C 2.147 177.433 175.328 -0.071 0.000 1.081 441 H CA 1.615 57.623 56.048 -0.066 0.000 1.345 441 H CB 0.127 29.869 29.762 -0.035 0.000 1.393 441 H HN 0.592 nan 8.280 nan 0.000 0.520 442 E N 0.963 121.194 120.200 0.052 0.000 2.047 442 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 442 E C 1.969 178.534 176.600 -0.058 0.000 0.987 442 E CA 1.118 57.521 56.400 0.006 0.000 0.799 442 E CB -0.277 29.431 29.700 0.014 0.000 0.752 442 E HN 0.474 nan 8.360 nan 0.000 0.449 443 I N 0.272 120.781 120.570 -0.101 0.000 2.286 443 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 443 I C 2.241 178.188 176.117 -0.282 0.000 1.115 443 I CA 0.916 62.102 61.300 -0.189 0.000 1.392 443 I CB -0.238 37.652 38.000 -0.183 0.000 1.065 443 I HN 0.184 nan 8.210 nan 0.000 0.418 444 I N 0.597 121.039 120.570 -0.214 0.000 2.202 444 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 444 I C 1.981 178.008 176.117 -0.149 0.000 1.091 444 I CA 1.414 62.600 61.300 -0.190 0.000 1.368 444 I CB -0.427 37.492 38.000 -0.134 0.000 1.058 444 I HN 0.204 nan 8.210 nan 0.000 0.410 445 D N 0.638 120.984 120.400 -0.090 0.000 2.183 445 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 445 D C 2.094 178.343 176.300 -0.086 0.000 0.969 445 D CA 1.017 54.973 54.000 -0.073 0.000 0.842 445 D CB -0.017 40.768 40.800 -0.025 0.000 0.957 445 D HN 0.233 nan 8.370 nan 0.000 0.484 446 K N -0.590 119.760 120.400 -0.083 0.000 2.287 446 K HA 0.175 4.495 4.320 -0.000 0.000 0.199 446 K C 1.931 178.521 176.600 -0.017 0.000 1.061 446 K CA 0.254 56.518 56.287 -0.039 0.000 0.976 446 K CB -0.046 32.438 32.500 -0.026 0.000 0.898 446 K HN 0.188 nan 8.250 nan 0.000 0.492 447 C N 0.731 119.942 119.300 -0.149 0.000 2.563 447 C HA 0.253 4.713 4.460 -0.000 0.000 0.346 447 C C 1.154 175.975 174.990 -0.282 0.000 1.334 447 C CA -0.523 58.382 59.018 -0.188 0.000 1.938 447 C CB 0.351 27.863 27.740 -0.380 0.000 2.445 447 C HN -0.047 nan 8.230 nan 0.000 0.541 448 V N 2.969 122.555 119.914 -0.546 0.000 2.872 448 V HA 0.021 4.141 4.120 -0.000 0.000 0.307 448 V C 0.579 176.664 176.094 -0.016 0.000 1.072 448 V CA 0.374 62.492 62.300 -0.303 0.000 1.148 448 V CB -0.067 31.612 31.823 -0.240 0.000 0.954 448 V HN 0.531 nan 8.190 nan 0.000 0.490 449 H N 6.721 125.890 119.070 0.165 0.000 2.764 449 H HA 0.138 4.694 4.556 0.000 0.000 0.341 449 H C -1.791 173.481 175.328 -0.094 0.000 1.072 449 H CA -1.845 54.268 56.048 0.109 0.000 1.444 449 H CB 1.701 31.765 29.762 0.504 0.000 1.458 449 H HN 0.355 nan 8.280 nan 0.000 0.572 450 P HA -0.209 nan 4.420 nan 0.000 0.220 450 P C 0.918 178.238 177.300 0.033 0.000 1.155 450 P CA 1.704 64.650 63.100 -0.257 0.000 0.880 450 P CB 0.306 31.726 31.700 -0.465 0.000 0.790 451 D N -2.911 117.662 120.400 0.288 0.000 2.311 451 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 451 D C 1.038 177.120 176.300 -0.363 0.000 0.972 451 D CA 1.199 55.138 54.000 -0.102 0.000 0.887 451 D CB -0.340 40.260 40.800 -0.333 0.000 0.915 451 D HN 0.397 nan 8.370 nan 0.000 0.497 452 Y N -0.888 119.482 120.300 0.117 0.000 2.471 452 Y HA 0.248 4.798 4.550 -0.000 0.000 0.249 452 Y C 1.938 177.920 175.900 0.137 0.000 1.116 452 Y CA -0.479 57.704 58.100 0.138 0.000 1.240 452 Y CB 0.481 39.072 38.460 0.218 0.000 1.251 452 Y HN -0.180 nan 8.280 nan 0.000 0.527 453 R N 0.868 121.469 120.500 0.167 0.000 2.073 453 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 453 R C -0.797 175.564 176.300 0.102 0.000 1.134 453 R CA 1.517 57.667 56.100 0.084 0.000 0.952 453 R CB -1.913 28.375 30.300 -0.021 0.000 0.850 453 R HN 0.286 nan 8.270 nan 0.000 0.433 454 P HA -0.133 nan 4.420 nan 0.000 0.218 454 P C 1.526 178.946 177.300 0.200 0.000 1.149 454 P CA 0.927 64.092 63.100 0.108 0.000 0.817 454 P CB -0.015 31.723 31.700 0.063 0.000 0.785 455 L N -0.532 120.849 121.223 0.263 0.000 2.093 455 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 455 L C 2.541 179.785 176.870 0.623 0.000 1.085 455 L CA 1.552 56.669 54.840 0.462 0.000 0.755 455 L CB -1.467 40.833 42.059 0.403 0.000 0.904 455 L HN -0.146 nan 8.230 nan 0.000 0.435 456 L N -1.506 119.961 121.223 0.408 0.000 2.313 456 L HA -0.085 4.255 4.340 -0.000 0.000 0.214 456 L C 2.551 179.492 176.870 0.117 0.000 1.119 456 L CA 0.489 55.464 54.840 0.226 0.000 0.809 456 L CB -0.336 41.765 42.059 0.069 0.000 0.933 456 L HN 0.199 nan 8.230 nan 0.000 0.449 457 R N -0.335 120.239 120.500 0.123 0.000 2.090 457 R HA -0.104 4.236 4.340 -0.000 0.000 0.228 457 R C 2.169 178.518 176.300 0.081 0.000 1.110 457 R CA 0.937 57.075 56.100 0.064 0.000 0.973 457 R CB -0.133 30.225 30.300 0.097 0.000 0.869 457 R HN 0.452 nan 8.270 nan 0.000 0.440 458 Q N -0.563 119.336 119.800 0.165 0.000 2.224 458 Q HA -0.186 4.154 4.340 -0.000 0.000 0.203 458 Q C 1.585 177.523 176.000 -0.104 0.000 0.970 458 Q CA 1.204 57.088 55.803 0.135 0.000 0.865 458 Q CB -0.078 28.877 28.738 0.363 0.000 0.922 458 Q HN 0.352 nan 8.270 nan 0.000 0.445 459 Y N 0.869 120.977 120.300 -0.320 0.000 2.274 459 Y HA -0.146 4.403 4.550 -0.000 0.000 0.290 459 Y C 1.527 177.198 175.900 -0.382 0.000 1.145 459 Y CA 1.096 58.780 58.100 -0.693 0.000 1.203 459 Y CB 0.051 38.134 38.460 -0.629 0.000 0.984 459 Y HN 0.028 nan 8.280 nan 0.000 0.533 460 L N 0.158 121.254 121.223 -0.212 0.000 2.552 460 L HA -0.031 4.309 4.340 -0.000 0.000 0.227 460 L C 0.708 177.481 176.870 -0.162 0.000 1.146 460 L CA 0.658 55.388 54.840 -0.183 0.000 0.858 460 L CB -0.123 41.866 42.059 -0.118 0.000 0.969 460 L HN 0.120 nan 8.230 nan 0.000 0.451 461 E N 0.118 120.215 120.200 -0.173 0.000 2.736 461 E HA 0.206 4.556 4.350 -0.000 0.000 0.208 461 E C 0.911 177.422 176.600 -0.149 0.000 0.996 461 E CA 0.038 56.371 56.400 -0.111 0.000 1.104 461 E CB 0.619 30.298 29.700 -0.035 0.000 1.111 461 E HN 0.405 nan 8.360 nan 0.000 0.455 462 L N -0.178 120.888 121.223 -0.261 0.000 2.629 462 L HA 0.210 4.550 4.340 -0.000 0.000 0.230 462 L C 1.215 177.986 176.870 -0.164 0.000 1.151 462 L CA 0.362 55.059 54.840 -0.237 0.000 0.924 462 L CB -0.102 41.721 42.059 -0.393 0.000 1.137 462 L HN 0.342 nan 8.230 nan 0.000 0.457 463 G N -0.138 108.582 108.800 -0.134 0.000 2.176 463 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 463 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 463 G C 0.340 175.179 174.900 -0.101 0.000 0.979 463 G CA 0.049 45.093 45.100 -0.093 0.000 0.641 463 G HN 0.121 nan 8.290 nan 0.000 0.530 464 V N 1.348 121.175 119.914 -0.145 0.000 2.585 464 V HA 0.307 4.427 4.120 -0.000 0.000 0.296 464 V C 0.873 176.907 176.094 -0.100 0.000 1.035 464 V CA 0.467 62.688 62.300 -0.133 0.000 1.084 464 V CB 1.207 32.918 31.823 -0.186 0.000 0.953 464 V HN 0.349 nan 8.190 nan 0.000 0.483 465 K N 3.133 123.485 120.400 -0.079 0.000 2.138 465 K HA 0.753 5.073 4.320 -0.000 0.000 0.263 465 K C 0.312 176.873 176.600 -0.066 0.000 0.965 465 K CA 0.121 56.371 56.287 -0.062 0.000 0.868 465 K CB 1.804 34.276 32.500 -0.047 0.000 1.083 465 K HN 1.060 nan 8.250 nan 0.000 0.443 466 G N 0.945 109.711 108.800 -0.057 0.000 2.355 466 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.619 466 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.619 466 G C 0.129 174.989 174.900 -0.066 0.000 1.337 466 G CA -0.356 44.707 45.100 -0.061 0.000 0.993 466 G HN 0.541 nan 8.290 nan 0.000 0.599 467 Q N -0.582 119.179 119.800 -0.066 0.000 2.077 467 Q HA 0.018 4.358 4.340 -0.000 0.000 0.206 467 Q C 1.312 177.241 176.000 -0.118 0.000 0.989 467 Q CA 2.874 58.637 55.803 -0.066 0.000 0.853 467 Q CB -0.211 28.493 28.738 -0.057 0.000 0.907 467 Q HN 0.774 nan 8.270 nan 0.000 0.418 468 T N 2.263 116.700 114.554 -0.195 0.000 2.809 468 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 468 T C -2.570 171.932 174.700 -0.331 0.000 1.015 468 T CA -1.453 60.413 62.100 -0.391 0.000 0.954 468 T CB 1.629 70.199 68.868 -0.497 0.000 0.950 468 T HN 0.110 nan 8.240 nan 0.000 0.450 469 P HA 0.109 nan 4.420 nan 0.000 0.249 469 P C 0.000 177.225 177.300 -0.125 0.000 1.686 469 P CA -0.130 62.891 63.100 -0.131 0.000 0.873 469 P CB 0.013 31.707 31.700 -0.010 0.000 1.828 470 Q N 1.385 121.094 119.800 -0.153 0.000 2.267 470 Q HA 0.152 4.492 4.340 -0.000 0.000 0.255 470 Q C 0.057 176.011 176.000 -0.077 0.000 0.923 470 Q CA 0.102 55.896 55.803 -0.015 0.000 0.925 470 Q CB 0.838 29.537 28.738 -0.065 0.000 1.195 470 Q HN 0.110 nan 8.270 nan 0.000 0.417 471 N N 3.863 122.539 118.700 -0.040 0.000 2.589 471 N HA 0.049 4.789 4.740 -0.000 0.000 0.232 471 N C 0.489 176.004 175.510 0.008 0.000 1.015 471 N CA -0.173 52.825 53.050 -0.085 0.000 0.931 471 N CB 0.567 38.929 38.487 -0.209 0.000 1.150 471 N HN 0.384 nan 8.380 nan 0.000 0.512 472 L N 2.288 123.499 121.223 -0.020 0.000 2.351 472 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 472 L C 1.476 178.370 176.870 0.041 0.000 1.127 472 L CA 1.284 56.115 54.840 -0.014 0.000 0.786 472 L CB -0.226 41.825 42.059 -0.013 0.000 0.914 472 L HN 0.458 nan 8.230 nan 0.000 0.443 473 D N -1.844 118.598 120.400 0.069 0.000 2.289 473 D HA -0.009 4.631 4.640 -0.000 0.000 0.207 473 D C 1.544 177.971 176.300 0.211 0.000 0.966 473 D CA 1.285 55.360 54.000 0.125 0.000 0.868 473 D CB 0.200 41.068 40.800 0.114 0.000 0.943 473 D HN 0.575 nan 8.370 nan 0.000 0.514 474 C N -1.039 118.398 119.300 0.228 0.000 3.692 474 C HA 0.296 4.756 4.460 -0.000 0.000 0.277 474 C C 2.423 177.597 174.990 0.307 0.000 2.095 474 C CA -0.824 58.409 59.018 0.357 0.000 1.666 474 C CB -1.289 26.777 27.740 0.543 0.000 3.354 474 C HN 0.399 nan 8.230 nan 0.000 0.474 475 C N -0.981 118.377 119.300 0.097 0.000 2.419 475 C HA 0.122 4.582 4.460 -0.000 0.000 0.283 475 C C 1.655 176.542 174.990 -0.173 0.000 1.373 475 C CA 0.780 59.718 59.018 -0.133 0.000 1.781 475 C CB -2.118 25.429 27.740 -0.321 0.000 1.886 475 C HN 0.639 nan 8.230 nan 0.000 0.520 476 F N 0.633 120.698 119.950 0.193 0.000 2.647 476 F HA 0.426 4.953 4.527 -0.000 0.000 0.300 476 F C 2.334 178.257 175.800 0.205 0.000 1.106 476 F CA -0.001 58.150 58.000 0.251 0.000 1.313 476 F CB -0.003 39.115 39.000 0.198 0.000 1.007 476 F HN 0.174 nan 8.300 nan 0.000 0.536 477 A N 0.454 123.413 122.820 0.232 0.000 1.940 477 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 477 A C 1.850 179.352 177.584 -0.136 0.000 1.176 477 A CA 1.616 53.485 52.037 -0.280 0.000 0.631 477 A CB -0.822 17.784 19.000 -0.656 0.000 0.814 477 A HN 0.325 nan 8.150 nan 0.000 0.446 478 F N 0.139 119.968 119.950 -0.202 0.000 2.069 478 F HA -0.179 4.348 4.527 0.000 0.000 0.298 478 F C 2.628 178.312 175.800 -0.194 0.000 1.113 478 F CA 1.530 59.384 58.000 -0.243 0.000 1.214 478 F CB -0.928 37.889 39.000 -0.306 0.000 0.978 478 F HN 0.395 nan 8.300 nan 0.000 0.474 479 H N -0.498 118.699 119.070 0.212 0.000 2.357 479 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 479 H C 2.160 177.539 175.328 0.086 0.000 1.082 479 H CA 1.559 57.673 56.048 0.111 0.000 1.342 479 H CB -0.558 29.250 29.762 0.076 0.000 1.389 479 H HN 0.409 nan 8.280 nan 0.000 0.511 480 Q N 0.366 120.318 119.800 0.253 0.000 2.084 480 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 480 Q C 2.319 178.438 176.000 0.197 0.000 0.978 480 Q CA 1.391 57.334 55.803 0.234 0.000 0.844 480 Q CB 0.072 29.021 28.738 0.352 0.000 0.898 480 Q HN 0.290 nan 8.270 nan 0.000 0.426 481 E N 0.829 121.110 120.200 0.136 0.000 2.150 481 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 481 E C 1.703 178.327 176.600 0.040 0.000 0.985 481 E CA 0.540 57.003 56.400 0.106 0.000 0.814 481 E CB -0.184 29.502 29.700 -0.024 0.000 0.752 481 E HN 0.233 nan 8.360 nan 0.000 0.466 482 L N 0.181 121.414 121.223 0.018 0.000 2.046 482 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 482 L C 2.122 179.011 176.870 0.032 0.000 1.077 482 L CA 2.302 57.148 54.840 0.009 0.000 0.747 482 L CB -0.925 41.141 42.059 0.011 0.000 0.896 482 L HN 0.163 nan 8.230 nan 0.000 0.432 483 A N -0.892 121.963 122.820 0.058 0.000 1.968 483 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 483 A C 2.147 179.760 177.584 0.049 0.000 1.169 483 A CA 1.351 53.420 52.037 0.054 0.000 0.638 483 A CB -0.358 18.682 19.000 0.067 0.000 0.812 483 A HN 0.417 nan 8.150 nan 0.000 0.446 484 K N -0.260 120.177 120.400 0.063 0.000 2.044 484 K HA 0.117 4.437 4.320 -0.000 0.000 0.204 484 K C 1.900 178.518 176.600 0.030 0.000 1.045 484 K CA 1.603 57.921 56.287 0.052 0.000 0.951 484 K CB -0.685 31.861 32.500 0.077 0.000 0.738 484 K HN 0.360 nan 8.250 nan 0.000 0.443 485 S N -1.107 114.608 115.700 0.025 0.000 2.497 485 S HA 0.192 4.662 4.470 -0.000 0.000 0.221 485 S C 1.211 175.810 174.600 -0.002 0.000 1.037 485 S CA 0.579 58.782 58.200 0.005 0.000 0.920 485 S CB 0.772 63.969 63.200 -0.004 0.000 0.800 485 S HN 0.545 nan 8.310 nan 0.000 0.505 486 G N 1.493 110.293 108.800 -0.001 0.000 2.175 486 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 486 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 486 G C -0.215 174.677 174.900 -0.014 0.000 0.982 486 G CA 0.350 45.448 45.100 -0.004 0.000 0.641 486 G HN 0.506 nan 8.290 nan 0.000 0.527 490 N N 0.863 119.449 118.700 -0.190 0.000 2.521 490 N HA 0.035 4.775 4.740 -0.000 0.000 0.188 490 N C 0.037 175.466 175.510 -0.135 0.000 1.146 490 N CA 0.501 53.472 53.050 -0.132 0.000 0.893 490 N CB 0.450 38.892 38.487 -0.075 0.000 0.975 490 N HN -0.047 nan 8.380 nan 0.000 0.451 491 V N 1.483 121.245 119.914 -0.254 0.000 2.715 491 V HA 0.104 4.224 4.120 -0.000 0.000 0.299 491 V C 0.554 176.450 176.094 -0.331 0.000 1.054 491 V CA 0.153 62.262 62.300 -0.318 0.000 1.077 491 V CB 0.647 32.075 31.823 -0.659 0.000 0.972 491 V HN 0.118 nan 8.190 nan 0.000 0.484 492 R N 2.753 123.117 120.500 -0.227 0.000 2.510 492 R HA 0.205 4.545 4.340 -0.000 0.000 0.294 492 R C -0.143 176.134 176.300 -0.038 0.000 1.056 492 R CA -0.538 55.463 56.100 -0.164 0.000 0.918 492 R CB 1.139 31.424 30.300 -0.025 0.000 1.187 492 R HN 0.782 nan 8.270 nan 0.000 0.437 493 W N 1.304 122.738 121.300 0.224 0.000 2.331 493 W HA -0.177 4.483 4.660 0.000 0.000 0.291 493 W C 1.390 178.033 176.519 0.207 0.000 1.214 493 W CA 0.643 58.134 57.345 0.242 0.000 1.228 493 W CB 0.193 29.769 29.460 0.193 0.000 1.135 493 W HN 0.584 nan 8.180 nan 0.000 0.537 494 E N -0.059 120.330 120.200 0.316 0.000 2.338 494 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 494 E C 1.333 178.022 176.600 0.148 0.000 1.007 494 E CA 1.209 57.731 56.400 0.204 0.000 0.849 494 E CB -0.382 29.401 29.700 0.138 0.000 0.774 494 E HN 0.209 nan 8.360 nan 0.000 0.506 495 D N -1.155 119.332 120.400 0.145 0.000 2.240 495 D HA -0.022 4.618 4.640 -0.000 0.000 0.206 495 D C 0.115 176.370 176.300 -0.075 0.000 0.963 495 D CA 0.607 54.613 54.000 0.011 0.000 0.863 495 D CB 0.129 40.904 40.800 -0.042 0.000 0.973 495 D HN 0.156 nan 8.370 nan 0.000 0.501 496 Y N 0.000 120.386 120.300 0.144 0.000 2.660 496 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 496 Y CA 0.000 58.214 58.100 0.189 0.000 1.940 496 Y CB 0.000 38.623 38.460 0.271 0.000 1.050 496 Y HN 0.000 nan 8.280 nan 0.000 0.758