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_C 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 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.022 19.000 0.037 0.000 0.831 3 L N 1.571 122.786 121.223 -0.013 0.000 2.462 3 L HA 0.334 4.674 4.340 0.001 0.000 0.272 3 L C 1.079 177.890 176.870 -0.099 0.000 1.166 3 L CA 0.966 55.742 54.840 -0.108 0.000 0.880 3 L CB 0.024 41.990 42.059 -0.156 0.000 1.142 3 L HN 0.671 nan 8.230 nan 0.000 0.473 4 R N 3.618 124.015 120.500 -0.172 0.000 2.294 4 R HA 0.380 4.721 4.340 0.001 0.000 0.319 4 R C -1.203 174.957 176.300 -0.233 0.000 0.984 4 R CA -0.526 55.528 56.100 -0.077 0.000 0.861 4 R CB 0.524 30.806 30.300 -0.030 0.000 1.104 4 R HN 0.327 nan 8.270 nan 0.000 0.451 5 F N 6.227 126.178 119.950 0.001 0.000 2.410 5 F HA 0.391 4.918 4.527 0.001 0.000 0.349 5 F C 0.688 176.498 175.800 0.017 0.000 1.117 5 F CA -0.454 57.548 58.000 0.003 0.000 1.104 5 F CB 1.082 40.084 39.000 0.004 0.000 1.122 5 F HN 0.394 nan 8.300 nan 0.000 0.483 6 I N -1.267 119.375 120.570 0.120 0.000 3.466 6 I HA 0.715 4.885 4.170 0.001 0.000 0.311 6 I C -0.374 175.802 176.117 0.099 0.000 1.155 6 I CA -1.074 60.290 61.300 0.107 0.000 0.959 6 I CB 2.024 40.080 38.000 0.093 0.000 1.332 6 I HN 0.462 nan 8.210 nan 0.000 0.483 7 T N -1.228 113.379 114.554 0.088 0.000 2.881 7 T HA 0.599 4.950 4.350 0.001 0.000 0.278 7 T C 0.928 175.669 174.700 0.068 0.000 0.982 7 T CA -0.131 62.012 62.100 0.072 0.000 0.989 7 T CB 1.633 70.537 68.868 0.060 0.000 1.058 7 T HN 0.839 nan 8.240 nan 0.000 0.529 8 A N 0.135 122.988 122.820 0.055 0.000 2.121 8 A HA 0.044 4.365 4.320 0.001 0.000 0.218 8 A C 1.995 179.610 177.584 0.051 0.000 1.154 8 A CA 1.120 53.187 52.037 0.050 0.000 0.679 8 A CB -0.858 18.165 19.000 0.040 0.000 0.795 8 A HN 0.879 nan 8.150 nan 0.000 0.458 9 E N 0.130 120.358 120.200 0.046 0.000 2.086 9 E HA -0.053 4.298 4.350 0.001 0.000 0.190 9 E C 1.871 178.503 176.600 0.054 0.000 0.975 9 E CA 1.213 57.634 56.400 0.035 0.000 0.813 9 E CB -0.199 29.514 29.700 0.022 0.000 0.768 9 E HN 0.737 nan 8.360 nan 0.000 0.457 10 E N 0.689 120.938 120.200 0.081 0.000 2.106 10 E HA -0.119 4.232 4.350 0.001 0.000 0.192 10 E C 2.048 178.789 176.600 0.235 0.000 0.984 10 E CA 0.925 57.397 56.400 0.119 0.000 0.806 10 E CB -0.156 29.628 29.700 0.141 0.000 0.750 10 E HN 0.242 nan 8.360 nan 0.000 0.458 11 A N 1.741 124.696 122.820 0.224 0.000 1.902 11 A HA -0.098 4.222 4.320 0.001 0.000 0.217 11 A C 2.430 180.181 177.584 0.278 0.000 1.181 11 A CA 1.590 53.790 52.037 0.272 0.000 0.623 11 A CB -0.649 18.407 19.000 0.093 0.000 0.818 11 A HN 0.282 nan 8.150 nan 0.000 0.443 12 A N -0.174 122.731 122.820 0.141 0.000 2.076 12 A HA -0.157 4.163 4.320 0.001 0.000 0.220 12 A C 1.766 179.381 177.584 0.052 0.000 1.160 12 A CA 1.512 53.600 52.037 0.085 0.000 0.653 12 A CB -0.511 18.509 19.000 0.033 0.000 0.801 12 A HN 0.679 nan 8.150 nan 0.000 0.455 13 E N -1.274 118.944 120.200 0.029 0.000 2.347 13 E HA -0.097 4.254 4.350 0.001 0.000 0.196 13 E C 0.735 177.168 176.600 -0.279 0.000 1.008 13 E CA 0.623 56.954 56.400 -0.115 0.000 0.852 13 E CB -0.193 29.397 29.700 -0.183 0.000 0.783 13 E HN 0.783 nan 8.360 nan 0.000 0.505 14 F N 0.365 120.236 119.950 -0.132 0.000 2.811 14 F HA 0.022 4.549 4.527 0.001 0.000 0.301 14 F C 0.652 176.213 175.800 -0.398 0.000 1.151 14 F CA 0.140 58.034 58.000 -0.178 0.000 1.412 14 F CB 0.507 39.470 39.000 -0.061 0.000 1.113 14 F HN -0.244 nan 8.300 nan 0.000 0.579 15 V N 1.262 121.014 119.914 -0.269 0.000 2.398 15 V HA 0.290 4.410 4.120 0.001 0.000 0.286 15 V C -0.196 175.683 176.094 -0.359 0.000 1.026 15 V CA -0.852 61.316 62.300 -0.219 0.000 0.868 15 V CB 0.883 32.729 31.823 0.039 0.000 0.982 15 V HN 0.092 nan 8.190 nan 0.000 0.443 16 H N 2.196 121.279 119.070 0.021 0.000 2.771 16 H HA 0.409 4.965 4.556 0.001 0.000 0.367 16 H C -0.202 174.822 175.328 -0.506 0.000 1.172 16 H CA -0.665 55.295 56.048 -0.147 0.000 1.186 16 H CB 1.504 31.218 29.762 -0.079 0.000 1.790 16 H HN 0.763 nan 8.280 nan 0.000 0.556 17 H N 1.354 119.945 119.070 -0.798 0.000 3.001 17 H HA -0.139 4.417 4.556 0.001 0.000 0.334 17 H C 0.224 175.362 175.328 -0.316 0.000 1.034 17 H CA 1.210 56.754 56.048 -0.839 0.000 1.420 17 H CB 0.424 29.829 29.762 -0.596 0.000 1.405 17 H HN 0.818 nan 8.280 nan 0.000 0.593 18 N N 2.087 120.284 118.700 -0.838 0.000 2.965 18 N HA -0.197 4.543 4.740 0.001 0.000 0.232 18 N C -1.225 174.142 175.510 -0.237 0.000 0.913 18 N CA 1.231 53.936 53.050 -0.575 0.000 0.981 18 N CB -0.752 37.361 38.487 -0.623 0.000 1.077 18 N HN 0.630 nan 8.380 nan 0.000 0.589 19 D N 0.291 120.579 120.400 -0.186 0.000 2.341 19 D HA 0.204 4.845 4.640 0.001 0.000 0.245 19 D C 0.024 176.282 176.300 -0.069 0.000 1.106 19 D CA 0.126 54.087 54.000 -0.066 0.000 0.905 19 D CB 0.349 41.132 40.800 -0.027 0.000 1.202 19 D HN 0.172 nan 8.370 nan 0.000 0.426 20 N N 0.614 119.318 118.700 0.007 0.000 2.425 20 N HA 0.288 5.029 4.740 0.001 0.000 0.268 20 N C -0.943 174.574 175.510 0.013 0.000 0.991 20 N CA -0.353 52.704 53.050 0.011 0.000 0.931 20 N CB 1.535 40.191 38.487 0.283 0.000 1.130 20 N HN 0.022 nan 8.380 nan 0.000 0.493 21 V N 0.492 120.337 119.914 -0.114 0.000 2.459 21 V HA 0.727 4.848 4.120 0.001 0.000 0.295 21 V C 0.761 176.652 176.094 -0.339 0.000 1.029 21 V CA -0.988 61.150 62.300 -0.271 0.000 0.874 21 V CB 1.747 33.292 31.823 -0.462 0.000 0.985 21 V HN 0.656 nan 8.190 nan 0.000 0.438 22 G N 2.940 111.553 108.800 -0.311 0.000 2.379 22 G HA2 0.719 4.680 3.960 0.001 0.000 0.327 22 G HA3 0.719 4.680 3.960 0.001 0.000 0.327 22 G C -1.296 173.375 174.900 -0.382 0.000 1.145 22 G CA -0.313 44.714 45.100 -0.120 0.000 0.905 22 G HN 0.385 nan 8.290 nan 0.000 0.466 23 F N 0.978 120.984 119.950 0.093 0.000 2.522 23 F HA 0.552 5.079 4.527 0.001 0.000 0.324 23 F C 1.010 176.846 175.800 0.061 0.000 1.077 23 F CA -0.894 57.140 58.000 0.057 0.000 0.944 23 F CB 2.159 41.184 39.000 0.041 0.000 1.175 23 F HN 0.555 nan 8.300 nan 0.000 0.468 24 S N 0.990 116.817 115.700 0.212 0.000 2.641 24 S HA 0.801 5.271 4.470 0.001 0.000 0.261 24 S C 0.289 174.978 174.600 0.149 0.000 1.257 24 S CA -0.020 58.263 58.200 0.138 0.000 0.983 24 S CB 1.014 64.258 63.200 0.074 0.000 0.990 24 S HN 1.785 nan 8.310 nan 0.000 0.572 25 G N -0.584 108.294 108.800 0.130 0.000 2.756 25 G HA2 0.106 4.066 3.960 0.001 0.000 0.678 25 G HA3 0.106 4.066 3.960 0.001 0.000 0.678 25 G C -1.079 173.972 174.900 0.250 0.000 1.349 25 G CA -0.258 44.932 45.100 0.150 0.000 0.847 25 G HN 1.533 nan 8.290 nan 0.000 0.548 26 F N 1.971 121.943 119.950 0.037 0.000 2.730 26 F HA 0.618 5.145 4.527 0.001 0.000 0.335 26 F C 0.545 176.357 175.800 0.021 0.000 1.212 26 F CA 1.445 59.463 58.000 0.031 0.000 1.016 26 F CB 1.543 40.556 39.000 0.022 0.000 1.290 26 F HN 2.344 nan 8.300 nan 0.000 0.495 27 T N 3.319 117.715 114.554 -0.263 0.000 0.541 27 T HA -0.147 4.204 4.350 0.001 0.000 0.774 27 T C -2.398 172.272 174.700 -0.048 0.000 0.992 27 T CA -0.244 61.754 62.100 -0.171 0.000 4.077 27 T CB -1.523 67.279 68.868 -0.110 0.000 2.303 27 T HN 0.345 nan 8.240 nan 0.000 0.398 28 P HA -0.021 nan 4.420 nan 0.000 0.219 28 P C 1.018 178.328 177.300 0.017 0.000 1.153 28 P CA 2.236 65.328 63.100 -0.012 0.000 0.865 28 P CB -0.533 31.161 31.700 -0.009 0.000 0.788 29 A N -0.592 122.248 122.820 0.033 0.000 2.548 29 A HA 0.377 4.698 4.320 0.001 0.000 0.247 29 A C 1.615 179.233 177.584 0.056 0.000 1.067 29 A CA 0.706 52.775 52.037 0.054 0.000 0.757 29 A CB -1.315 17.728 19.000 0.071 0.000 0.996 29 A HN 0.438 nan 8.150 nan 0.000 0.504 30 G N 2.250 111.058 108.800 0.014 0.000 2.179 30 G HA2 -0.228 3.732 3.960 0.001 0.000 0.260 30 G HA3 -0.228 3.732 3.960 0.001 0.000 0.260 30 G C 0.153 175.071 174.900 0.029 0.000 0.977 30 G CA 0.258 45.360 45.100 0.004 0.000 0.641 30 G HN 0.827 nan 8.290 nan 0.000 0.533 31 N N 1.502 120.223 118.700 0.036 0.000 2.487 31 N HA 0.432 5.172 4.740 0.001 0.000 0.292 31 N C -2.494 173.046 175.510 0.050 0.000 1.108 31 N CA -1.192 51.889 53.050 0.052 0.000 0.956 31 N CB 1.984 40.484 38.487 0.022 0.000 1.176 31 N HN 0.110 nan 8.380 nan 0.000 0.484 32 P HA 0.127 nan 4.420 nan 0.000 0.271 32 P C -0.452 176.878 177.300 0.051 0.000 1.218 32 P CA 0.098 63.247 63.100 0.081 0.000 0.780 32 P CB 1.216 33.000 31.700 0.140 0.000 0.901 33 K N 1.359 121.786 120.400 0.045 0.000 2.450 33 K HA 0.147 4.467 4.320 0.001 0.000 0.206 33 K C 1.221 177.837 176.600 0.026 0.000 1.148 33 K CA -0.036 56.268 56.287 0.028 0.000 1.014 33 K CB 0.702 33.223 32.500 0.034 0.000 0.966 33 K HN 0.144 nan 8.250 nan 0.000 0.566 34 V N 0.019 119.955 119.914 0.037 0.000 3.359 34 V HA 0.006 4.126 4.120 0.001 0.000 0.245 34 V C 1.499 177.615 176.094 0.036 0.000 1.247 34 V CA 0.343 62.662 62.300 0.032 0.000 1.145 34 V CB 0.919 32.763 31.823 0.036 0.000 0.906 34 V HN -0.027 nan 8.190 nan 0.000 0.464 35 V N 2.481 122.426 119.914 0.052 0.000 2.323 35 V HA -0.033 4.087 4.120 0.001 0.000 0.244 35 V C -0.012 176.124 176.094 0.070 0.000 1.041 35 V CA 2.444 64.781 62.300 0.061 0.000 1.025 35 V CB -1.693 30.172 31.823 0.072 0.000 0.656 35 V HN 0.514 nan 8.190 nan 0.000 0.451 36 P HA -0.199 nan 4.420 nan 0.000 0.217 36 P C 1.520 178.836 177.300 0.026 0.000 1.148 36 P CA 2.214 65.366 63.100 0.086 0.000 0.828 36 P CB -0.034 31.692 31.700 0.043 0.000 0.783 37 A N 0.415 123.239 122.820 0.008 0.000 1.968 37 A HA 0.056 4.376 4.320 0.001 0.000 0.217 37 A C 2.455 180.027 177.584 -0.020 0.000 1.169 37 A CA 1.724 53.754 52.037 -0.012 0.000 0.638 37 A CB -1.347 17.646 19.000 -0.011 0.000 0.812 37 A HN 0.232 nan 8.150 nan 0.000 0.446 38 A N -0.195 122.621 122.820 -0.006 0.000 2.014 38 A HA 0.046 4.366 4.320 0.001 0.000 0.218 38 A C 1.905 179.462 177.584 -0.045 0.000 1.163 38 A CA 1.283 53.309 52.037 -0.017 0.000 0.652 38 A CB -0.366 18.638 19.000 0.007 0.000 0.808 38 A HN 0.409 nan 8.150 nan 0.000 0.449 39 I N -0.150 120.404 120.570 -0.027 0.000 2.286 39 I HA -0.158 4.012 4.170 0.001 0.000 0.245 39 I C 2.899 178.914 176.117 -0.169 0.000 1.104 39 I CA 1.294 62.560 61.300 -0.057 0.000 1.397 39 I CB -1.654 36.377 38.000 0.052 0.000 1.072 39 I HN 0.340 nan 8.210 nan 0.000 0.417 40 A N 1.541 124.301 122.820 -0.101 0.000 1.883 40 A HA -0.206 4.115 4.320 0.001 0.000 0.217 40 A C 2.329 179.814 177.584 -0.165 0.000 1.186 40 A CA 1.524 53.491 52.037 -0.116 0.000 0.624 40 A CB -0.417 18.549 19.000 -0.057 0.000 0.822 40 A HN 0.274 nan 8.150 nan 0.000 0.444 41 K N -0.436 119.885 120.400 -0.132 0.000 2.009 41 K HA -0.206 4.114 4.320 0.001 0.000 0.210 41 K C 2.202 178.680 176.600 -0.205 0.000 1.049 41 K CA 1.698 57.909 56.287 -0.127 0.000 0.929 41 K CB -0.549 31.898 32.500 -0.087 0.000 0.714 41 K HN 0.579 nan 8.250 nan 0.000 0.440 42 R N 0.854 121.202 120.500 -0.255 0.000 2.103 42 R HA -0.151 4.189 4.340 0.001 0.000 0.242 42 R C 2.263 178.165 176.300 -0.663 0.000 1.142 42 R CA 1.558 57.445 56.100 -0.355 0.000 0.960 42 R CB -0.219 29.895 30.300 -0.310 0.000 0.858 42 R HN 0.246 nan 8.270 nan 0.000 0.439 43 A N 0.915 123.202 122.820 -0.888 0.000 1.873 43 A HA -0.108 4.213 4.320 0.001 0.000 0.215 43 A C 2.160 179.248 177.584 -0.828 0.000 1.186 43 A CA 1.331 52.653 52.037 -1.193 0.000 0.616 43 A CB -0.429 18.124 19.000 -0.745 0.000 0.823 43 A HN 0.356 nan 8.150 nan 0.000 0.442 44 I N -0.173 120.159 120.570 -0.398 0.000 2.226 44 I HA -0.265 3.905 4.170 0.001 0.000 0.245 44 I C 2.915 178.943 176.117 -0.148 0.000 1.100 44 I CA 1.032 62.248 61.300 -0.141 0.000 1.374 44 I CB -0.341 37.635 38.000 -0.040 0.000 1.057 44 I HN 0.353 nan 8.210 nan 0.000 0.413 45 A N 0.653 123.363 122.820 -0.184 0.000 2.019 45 A HA -0.122 4.198 4.320 0.001 0.000 0.219 45 A C 2.466 179.984 177.584 -0.110 0.000 1.164 45 A CA 1.811 53.776 52.037 -0.119 0.000 0.644 45 A CB -0.577 18.354 19.000 -0.115 0.000 0.805 45 A HN 0.458 nan 8.150 nan 0.000 0.449 46 A N -1.231 121.469 122.820 -0.200 0.000 1.935 46 A HA -0.009 4.311 4.320 0.001 0.000 0.214 46 A C 2.003 179.563 177.584 -0.040 0.000 1.178 46 A CA 1.202 53.173 52.037 -0.109 0.000 0.640 46 A CB -0.715 18.244 19.000 -0.069 0.000 0.825 46 A HN 0.584 nan 8.150 nan 0.000 0.447 47 H N 0.869 119.940 119.070 0.001 0.000 2.270 47 H HA -0.143 4.414 4.556 0.001 0.000 0.299 47 H C 2.006 177.331 175.328 -0.005 0.000 1.077 47 H CA 1.745 57.795 56.048 0.003 0.000 1.294 47 H CB -0.710 29.051 29.762 -0.002 0.000 1.371 47 H HN 0.833 nan 8.280 nan 0.000 0.491 48 E N 1.245 121.517 120.200 0.121 0.000 2.510 48 E HA -0.144 4.206 4.350 0.001 0.000 0.202 48 E C 1.694 178.315 176.600 0.035 0.000 1.072 48 E CA 0.869 57.305 56.400 0.059 0.000 0.883 48 E CB -0.048 29.673 29.700 0.035 0.000 0.818 48 E HN 0.329 nan 8.360 nan 0.000 0.548 49 K N 0.106 120.526 120.400 0.033 0.000 2.374 49 K HA 0.087 4.407 4.320 0.001 0.000 0.196 49 K C 0.984 177.600 176.600 0.027 0.000 1.023 49 K CA 0.636 56.936 56.287 0.021 0.000 1.103 49 K CB 0.228 32.734 32.500 0.010 0.000 0.848 49 K HN 0.250 nan 8.250 nan 0.000 0.528 50 G N 0.755 109.581 108.800 0.043 0.000 2.176 50 G HA2 -0.270 3.691 3.960 0.001 0.000 0.253 50 G HA3 -0.270 3.691 3.960 0.001 0.000 0.253 50 G C -0.605 174.318 174.900 0.038 0.000 0.979 50 G CA 0.109 45.232 45.100 0.038 0.000 0.641 50 G HN 0.476 nan 8.290 nan 0.000 0.530 51 N N 2.226 120.954 118.700 0.046 0.000 2.473 51 N HA 0.525 5.266 4.740 0.001 0.000 0.291 51 N C -2.521 173.015 175.510 0.045 0.000 1.083 51 N CA -1.461 51.604 53.050 0.026 0.000 0.951 51 N CB 1.992 40.495 38.487 0.027 0.000 1.164 51 N HN 0.138 nan 8.380 nan 0.000 0.480 52 P HA 0.164 nan 4.420 nan 0.000 0.275 52 P C -1.283 175.846 177.300 -0.285 0.000 1.228 52 P CA 0.075 63.070 63.100 -0.175 0.000 0.786 52 P CB 0.639 32.090 31.700 -0.414 0.000 0.927 53 F N 2.385 122.284 119.950 -0.086 0.000 3.395 53 F HA 0.373 4.900 4.527 0.001 0.000 0.382 53 F C -1.078 174.916 175.800 0.323 0.000 1.264 53 F CA -0.408 57.645 58.000 0.089 0.000 1.277 53 F CB 1.225 40.127 39.000 -0.164 0.000 1.780 53 F HN 0.186 nan 8.300 nan 0.000 0.691 54 K N 6.993 127.732 120.400 0.566 0.000 2.523 54 K HA 0.698 5.019 4.320 0.001 0.000 0.257 54 K C -1.169 175.482 176.600 0.084 0.000 0.932 54 K CA -0.913 55.581 56.287 0.344 0.000 0.812 54 K CB 3.244 35.908 32.500 0.272 0.000 1.326 54 K HN 0.564 nan 8.250 nan 0.000 0.433 55 I N -1.785 118.810 120.570 0.043 0.000 2.797 55 I HA 0.688 4.858 4.170 0.001 0.000 0.307 55 I C 0.309 176.252 176.117 -0.290 0.000 1.033 55 I CA -0.850 60.390 61.300 -0.100 0.000 1.071 55 I CB 1.878 39.876 38.000 -0.003 0.000 1.255 55 I HN 0.576 nan 8.210 nan 0.000 0.445 59 T N -1.362 113.404 114.554 0.353 0.000 2.831 59 T HA 0.692 5.042 4.350 0.001 0.000 0.287 59 T C 0.718 175.561 174.700 0.239 0.000 1.070 59 T CA -0.152 62.125 62.100 0.296 0.000 1.010 59 T CB 1.658 70.637 68.868 0.184 0.000 1.264 59 T HN 0.612 nan 8.240 nan 0.000 0.532 60 G N 0.123 109.064 108.800 0.235 0.000 2.425 60 G HA2 0.458 4.419 3.960 0.001 0.000 0.213 60 G HA3 0.458 4.419 3.960 0.001 0.000 0.213 60 G C 0.649 175.694 174.900 0.243 0.000 1.201 60 G CA 0.771 46.066 45.100 0.325 0.000 0.799 60 G HN 1.259 nan 8.290 nan 0.000 0.534 61 A N -0.655 122.153 122.820 -0.019 0.000 3.972 61 A HA 0.671 4.991 4.320 0.001 0.000 0.166 61 A C 0.539 178.114 177.584 -0.016 0.000 0.722 61 A CA 0.715 52.638 52.037 -0.190 0.000 1.045 61 A CB -0.243 18.116 19.000 -1.069 0.000 1.949 61 A HN 0.958 nan 8.150 nan 0.000 0.853 62 S N 0.072 115.758 115.700 -0.024 0.000 2.593 62 S HA 0.534 5.004 4.470 0.001 0.000 0.269 62 S C 0.216 174.774 174.600 -0.070 0.000 1.334 62 S CA 0.566 58.777 58.200 0.019 0.000 1.015 62 S CB 0.637 63.877 63.200 0.067 0.000 0.912 62 S HN 1.773 nan 8.310 nan 0.000 0.541 63 T N -1.861 112.644 114.554 -0.081 0.000 2.887 63 T HA 0.753 5.103 4.350 0.001 0.000 0.292 63 T C 0.535 175.182 174.700 -0.090 0.000 1.087 63 T CA -0.464 61.577 62.100 -0.100 0.000 1.009 63 T CB 0.902 69.666 68.868 -0.174 0.000 1.203 63 T HN 0.952 nan 8.240 nan 0.000 0.518 64 G N -0.469 108.284 108.800 -0.078 0.000 2.583 64 G HA2 0.459 4.420 3.960 0.001 0.000 0.275 64 G HA3 0.459 4.420 3.960 0.001 0.000 0.275 64 G C 1.133 175.986 174.900 -0.078 0.000 1.342 64 G CA -0.305 44.758 45.100 -0.062 0.000 1.030 64 G HN 1.228 nan 8.290 nan 0.000 0.520 65 A N -0.971 121.812 122.820 -0.061 0.000 2.167 65 A HA 0.099 4.420 4.320 0.001 0.000 0.214 65 A C 2.082 179.627 177.584 -0.066 0.000 1.151 65 A CA 0.554 52.552 52.037 -0.065 0.000 0.735 65 A CB -0.074 18.896 19.000 -0.049 0.000 0.802 65 A HN 0.545 nan 8.150 nan 0.000 0.467 66 R N -0.806 119.658 120.500 -0.060 0.000 2.391 66 R HA 0.318 4.658 4.340 0.001 0.000 0.249 66 R C 0.720 176.974 176.300 -0.077 0.000 0.957 66 R CA -0.115 55.953 56.100 -0.053 0.000 1.093 66 R CB 0.151 30.433 30.300 -0.030 0.000 1.156 66 R HN 0.383 nan 8.270 nan 0.000 0.526 67 L N -0.575 120.575 121.223 -0.122 0.000 3.794 67 L HA 0.208 4.549 4.340 0.001 0.000 0.185 67 L C 0.758 177.498 176.870 -0.217 0.000 1.179 67 L CA 1.052 55.767 54.840 -0.208 0.000 0.903 67 L CB -0.452 41.442 42.059 -0.274 0.000 1.582 67 L HN -0.078 nan 8.230 nan 0.000 0.677 68 D N 0.287 120.556 120.400 -0.219 0.000 2.117 68 D HA -0.092 4.549 4.640 0.001 0.000 0.197 68 D C 1.793 178.012 176.300 -0.136 0.000 0.987 68 D CA 1.514 55.401 54.000 -0.189 0.000 0.829 68 D CB 0.007 40.696 40.800 -0.186 0.000 0.961 68 D HN 0.572 nan 8.370 nan 0.000 0.460 69 G N 1.035 109.765 108.800 -0.117 0.000 2.480 69 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 69 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 69 G C 1.782 176.638 174.900 -0.073 0.000 1.200 69 G CA 0.948 45.994 45.100 -0.090 0.000 0.782 69 G HN 0.288 nan 8.290 nan 0.000 0.554 70 V N 0.178 120.051 119.914 -0.068 0.000 2.343 70 V HA -0.082 4.038 4.120 0.001 0.000 0.247 70 V C 2.820 178.887 176.094 -0.045 0.000 1.051 70 V CA 1.602 63.871 62.300 -0.051 0.000 1.036 70 V CB -0.250 31.544 31.823 -0.047 0.000 0.654 70 V HN 0.231 nan 8.190 nan 0.000 0.451 71 L N 0.274 121.463 121.223 -0.057 0.000 2.093 71 L HA 0.029 4.369 4.340 0.001 0.000 0.208 71 L C 2.642 179.499 176.870 -0.021 0.000 1.085 71 L CA 2.287 57.108 54.840 -0.033 0.000 0.755 71 L CB -1.596 40.430 42.059 -0.055 0.000 0.904 71 L HN 0.397 nan 8.230 nan 0.000 0.435 72 A N -1.337 121.453 122.820 -0.049 0.000 1.897 72 A HA -0.202 4.119 4.320 0.001 0.000 0.215 72 A C 2.141 179.706 177.584 -0.033 0.000 1.181 72 A CA 1.144 53.153 52.037 -0.047 0.000 0.620 72 A CB -0.378 18.576 19.000 -0.077 0.000 0.821 72 A HN 0.519 nan 8.150 nan 0.000 0.443 73 Q N -0.610 119.169 119.800 -0.035 0.000 2.226 73 Q HA -0.050 4.290 4.340 0.001 0.000 0.204 73 Q C 2.072 178.068 176.000 -0.007 0.000 0.975 73 Q CA 1.153 56.940 55.803 -0.027 0.000 0.866 73 Q CB -0.320 28.400 28.738 -0.030 0.000 0.915 73 Q HN 0.669 nan 8.270 nan 0.000 0.440 74 A N 1.043 123.869 122.820 0.009 0.000 2.208 74 A HA -0.070 4.251 4.320 0.001 0.000 0.209 74 A C 0.404 178.053 177.584 0.107 0.000 1.161 74 A CA 0.628 52.699 52.037 0.056 0.000 0.782 74 A CB 0.014 19.037 19.000 0.038 0.000 0.816 74 A HN 0.394 nan 8.150 nan 0.000 0.477 75 D N -2.326 118.100 120.400 0.043 0.000 2.689 75 D HA -0.185 4.455 4.640 0.001 0.000 0.237 75 D C 0.351 176.721 176.300 0.117 0.000 1.148 75 D CA 0.983 54.991 54.000 0.014 0.000 0.656 75 D CB -1.305 39.438 40.800 -0.094 0.000 1.050 75 D HN 0.562 nan 8.370 nan 0.000 0.426 76 A N -0.066 122.856 122.820 0.171 0.000 2.631 76 A HA 0.487 4.807 4.320 0.001 0.000 0.294 76 A C 0.164 177.847 177.584 0.164 0.000 1.156 76 A CA -0.193 52.005 52.037 0.268 0.000 0.963 76 A CB 0.830 20.005 19.000 0.292 0.000 1.202 76 A HN 0.188 nan 8.150 nan 0.000 0.523 77 V N 1.840 121.806 119.914 0.087 0.000 2.294 77 V HA 0.114 4.234 4.120 0.001 0.000 0.272 77 V C 1.279 177.396 176.094 0.039 0.000 1.027 77 V CA -0.071 62.244 62.300 0.025 0.000 0.823 77 V CB 0.731 32.550 31.823 -0.005 0.000 1.030 77 V HN 0.747 nan 8.190 nan 0.000 0.457 78 K N 4.841 125.245 120.400 0.006 0.000 2.116 78 K HA 0.078 4.398 4.320 0.001 0.000 0.203 78 K C 0.313 177.026 176.600 0.187 0.000 1.052 78 K CA 0.955 57.290 56.287 0.081 0.000 0.952 78 K CB 0.294 32.835 32.500 0.068 0.000 0.729 78 K HN 0.545 nan 8.250 nan 0.000 0.446 79 F N -0.871 119.106 119.950 0.046 0.000 2.703 79 F HA 0.629 5.156 4.527 0.001 0.000 0.308 79 F C -1.642 174.140 175.800 -0.029 0.000 1.126 79 F CA -1.620 56.424 58.000 0.073 0.000 0.959 79 F CB 1.247 40.342 39.000 0.158 0.000 1.297 79 F HN -0.130 nan 8.300 nan 0.000 0.441 80 R N 1.303 121.960 120.500 0.261 0.000 2.673 80 R HA 0.896 5.236 4.340 0.001 0.000 0.281 80 R C -1.803 174.390 176.300 -0.179 0.000 0.991 80 R CA -0.149 55.982 56.100 0.052 0.000 0.896 80 R CB 2.239 32.602 30.300 0.104 0.000 1.201 80 R HN 1.033 nan 8.270 nan 0.000 0.457 81 T N 3.486 117.917 114.554 -0.203 0.000 2.885 81 T HA 0.413 4.763 4.350 0.001 0.000 0.322 81 T C -2.603 172.085 174.700 -0.020 0.000 1.387 81 T CA -1.013 60.871 62.100 -0.361 0.000 1.041 81 T CB 2.213 70.697 68.868 -0.640 0.000 1.287 81 T HN 0.528 nan 8.240 nan 0.000 0.491 82 P HA 0.263 nan 4.420 nan 0.000 0.289 82 P C -0.734 176.647 177.300 0.135 0.000 1.303 82 P CA 0.155 63.232 63.100 -0.038 0.000 0.946 82 P CB 0.723 32.450 31.700 0.045 0.000 1.454 83 Y N 1.350 121.708 120.300 0.097 0.000 2.513 83 Y HA 0.507 5.057 4.550 0.001 0.000 0.340 83 Y C -1.343 174.604 175.900 0.078 0.000 1.055 83 Y CA -0.618 57.568 58.100 0.144 0.000 1.020 83 Y CB 1.788 40.279 38.460 0.053 0.000 1.301 83 Y HN -0.222 nan 8.280 nan 0.000 0.453 84 Q N 1.811 121.393 119.800 -0.363 0.000 2.544 84 Q HA 0.687 5.028 4.340 0.001 0.000 0.291 84 Q C -1.343 174.354 176.000 -0.505 0.000 1.068 84 Q CA -0.849 54.751 55.803 -0.338 0.000 0.785 84 Q CB 1.986 30.487 28.738 -0.396 0.000 1.481 84 Q HN 0.454 nan 8.270 nan 0.000 0.430 85 S N 0.785 116.318 115.700 -0.278 0.000 2.745 85 S HA 0.271 4.741 4.470 0.001 0.000 0.232 85 S C -1.459 173.050 174.600 -0.151 0.000 0.804 85 S CA -0.511 57.563 58.200 -0.210 0.000 1.071 85 S CB -0.488 62.673 63.200 -0.065 0.000 1.480 85 S HN 0.668 nan 8.310 nan 0.000 0.467 86 N N 1.897 120.489 118.700 -0.180 0.000 2.314 86 N HA 0.281 5.021 4.740 0.001 0.000 0.294 86 N C 1.083 176.505 175.510 -0.147 0.000 1.029 86 N CA -0.495 52.470 53.050 -0.142 0.000 0.845 86 N CB 1.622 40.025 38.487 -0.140 0.000 1.321 86 N HN 0.427 nan 8.380 nan 0.000 0.481 87 K N 2.765 123.098 120.400 -0.113 0.000 2.103 87 K HA -0.155 4.165 4.320 0.001 0.000 0.207 87 K C 0.292 176.829 176.600 -0.105 0.000 1.048 87 K CA 1.254 57.478 56.287 -0.104 0.000 0.930 87 K CB -0.007 32.447 32.500 -0.076 0.000 0.716 87 K HN 0.461 nan 8.250 nan 0.000 0.444 88 D N 1.289 121.630 120.400 -0.097 0.000 2.097 88 D HA -0.126 4.514 4.640 0.001 0.000 0.197 88 D C 2.058 178.293 176.300 -0.108 0.000 0.984 88 D CA 0.948 54.895 54.000 -0.089 0.000 0.826 88 D CB -0.143 40.611 40.800 -0.076 0.000 0.973 88 D HN 0.157 nan 8.370 nan 0.000 0.460 89 L N 1.368 122.509 121.223 -0.137 0.000 2.056 89 L HA -0.076 4.264 4.340 0.001 0.000 0.207 89 L C 2.346 179.091 176.870 -0.207 0.000 1.078 89 L CA 1.484 56.223 54.840 -0.168 0.000 0.749 89 L CB -0.485 41.452 42.059 -0.204 0.000 0.901 89 L HN -0.165 nan 8.230 nan 0.000 0.433 90 R N -0.441 119.925 120.500 -0.222 0.000 2.081 90 R HA -0.176 4.165 4.340 0.001 0.000 0.235 90 R C 2.048 178.243 176.300 -0.174 0.000 1.131 90 R CA 2.139 58.094 56.100 -0.241 0.000 0.960 90 R CB -0.332 29.837 30.300 -0.220 0.000 0.856 90 R HN 0.595 nan 8.270 nan 0.000 0.436 91 N N -0.040 118.582 118.700 -0.131 0.000 2.171 91 N HA -0.150 4.591 4.740 0.001 0.000 0.184 91 N C 1.686 177.146 175.510 -0.083 0.000 1.021 91 N CA 0.820 53.812 53.050 -0.096 0.000 0.854 91 N CB -0.095 38.346 38.487 -0.077 0.000 0.994 91 N HN 0.083 nan 8.380 nan 0.000 0.426 92 L N 1.616 122.787 121.223 -0.086 0.000 2.042 92 L HA -0.128 4.212 4.340 0.001 0.000 0.210 92 L C 1.766 178.601 176.870 -0.058 0.000 1.076 92 L CA 1.457 56.258 54.840 -0.065 0.000 0.749 92 L CB -0.331 41.688 42.059 -0.067 0.000 0.893 92 L HN 0.200 nan 8.230 nan 0.000 0.432 93 I N -0.564 119.951 120.570 -0.091 0.000 2.133 93 I HA -0.310 3.860 4.170 0.001 0.000 0.238 93 I C 1.946 178.036 176.117 -0.045 0.000 1.074 93 I CA 1.861 63.118 61.300 -0.071 0.000 1.342 93 I CB -0.495 37.405 38.000 -0.168 0.000 1.053 93 I HN 0.321 nan 8.210 nan 0.000 0.404 94 N N 0.720 119.375 118.700 -0.076 0.000 2.443 94 N HA -0.142 4.598 4.740 0.001 0.000 0.184 94 N C 0.948 176.437 175.510 -0.034 0.000 1.037 94 N CA 0.773 53.788 53.050 -0.059 0.000 0.896 94 N CB -0.232 38.205 38.487 -0.083 0.000 0.959 94 N HN 0.402 nan 8.380 nan 0.000 0.442 95 N N -0.337 118.343 118.700 -0.033 0.000 2.322 95 N HA 0.092 4.832 4.740 0.001 0.000 0.194 95 N C 0.477 175.983 175.510 -0.007 0.000 1.126 95 N CA -0.000 53.037 53.050 -0.021 0.000 0.845 95 N CB 0.644 39.115 38.487 -0.027 0.000 0.976 95 N HN 0.126 nan 8.380 nan 0.000 0.475 96 G N 0.693 109.494 108.800 0.002 0.000 2.249 96 G HA2 -0.298 3.663 3.960 0.001 0.000 0.273 96 G HA3 -0.298 3.663 3.960 0.001 0.000 0.273 96 G C 0.679 175.592 174.900 0.022 0.000 1.036 96 G CA 0.653 45.765 45.100 0.021 0.000 0.824 96 G HN 0.363 nan 8.290 nan 0.000 0.504 97 S N -1.274 114.434 115.700 0.013 0.000 2.575 97 S HA 0.408 4.878 4.470 0.001 0.000 0.215 97 S C 0.821 175.439 174.600 0.030 0.000 0.966 97 S CA 0.982 59.188 58.200 0.011 0.000 0.911 97 S CB 0.817 64.012 63.200 -0.008 0.000 0.780 97 S HN 1.024 nan 8.310 nan 0.000 0.514 98 T N 0.403 114.987 114.554 0.050 0.000 2.769 98 T HA 0.387 4.737 4.350 0.001 0.000 0.306 98 T C -1.656 173.126 174.700 0.136 0.000 1.400 98 T CA -0.490 61.662 62.100 0.086 0.000 1.007 98 T CB 1.600 70.508 68.868 0.067 0.000 1.392 98 T HN -0.085 nan 8.240 nan 0.000 0.500 99 S N 2.069 117.889 115.700 0.200 0.000 2.438 99 S HA 0.598 5.068 4.470 0.001 0.000 0.293 99 S C -1.557 173.275 174.600 0.387 0.000 1.141 99 S CA -0.435 57.930 58.200 0.275 0.000 1.080 99 S CB 0.304 63.677 63.200 0.288 0.000 0.978 99 S HN 0.534 nan 8.310 nan 0.000 0.479 100 Y N 4.293 124.720 120.300 0.212 0.000 2.442 100 Y HA 0.666 5.216 4.550 0.001 0.000 0.344 100 Y C -1.705 174.346 175.900 0.251 0.000 0.976 100 Y CA -1.857 56.319 58.100 0.126 0.000 1.040 100 Y CB 0.954 39.416 38.460 0.004 0.000 1.228 100 Y HN 0.615 nan 8.280 nan 0.000 0.451 101 F N 4.069 123.640 119.950 -0.632 0.000 2.617 101 F HA 0.442 4.969 4.527 0.001 0.000 0.325 101 F C -1.370 174.011 175.800 -0.698 0.000 1.179 101 F CA -1.676 55.999 58.000 -0.541 0.000 0.965 101 F CB 0.704 39.580 39.000 -0.207 0.000 1.232 101 F HN 0.390 nan 8.300 nan 0.000 0.461 102 D N 4.311 124.338 120.400 -0.622 0.000 2.304 102 D HA 0.514 5.154 4.640 0.001 0.000 0.250 102 D C -0.430 175.816 176.300 -0.091 0.000 1.107 102 D CA -0.105 53.692 54.000 -0.338 0.000 0.885 102 D CB 2.093 42.838 40.800 -0.092 0.000 1.192 102 D HN 0.657 nan 8.370 nan 0.000 0.436 103 L N 0.648 121.854 121.223 -0.027 0.000 2.279 103 L HA 0.302 4.642 4.340 0.001 0.000 0.262 103 L C 0.352 177.244 176.870 0.036 0.000 1.019 103 L CA -1.339 53.505 54.840 0.007 0.000 0.823 103 L CB 1.555 43.679 42.059 0.108 0.000 1.358 103 L HN 0.324 nan 8.230 nan 0.000 0.432 104 H N 2.393 121.553 119.070 0.151 0.000 2.975 104 H HA 0.106 4.662 4.556 0.001 0.000 0.303 104 H C 0.950 176.353 175.328 0.125 0.000 1.023 104 H CA 0.130 56.261 56.048 0.138 0.000 1.473 104 H CB 1.096 30.923 29.762 0.109 0.000 1.498 104 H HN 0.506 nan 8.280 nan 0.000 0.549 105 L N 2.502 123.871 121.223 0.243 0.000 2.081 105 L HA -0.250 4.090 4.340 0.001 0.000 0.212 105 L C 2.416 179.362 176.870 0.126 0.000 1.080 105 L CA 1.831 56.789 54.840 0.197 0.000 0.754 105 L CB -0.545 41.660 42.059 0.244 0.000 0.893 105 L HN 0.555 nan 8.230 nan 0.000 0.433 106 S N -1.324 114.419 115.700 0.072 0.000 2.507 106 S HA -0.137 4.334 4.470 0.001 0.000 0.235 106 S C 1.814 176.411 174.600 -0.006 0.000 0.988 106 S CA 1.254 59.445 58.200 -0.013 0.000 0.944 106 S CB -0.649 62.497 63.200 -0.089 0.000 0.762 106 S HN 0.621 nan 8.310 nan 0.000 0.526 107 T N -1.219 113.377 114.554 0.070 0.000 3.037 107 T HA 0.245 4.596 4.350 0.001 0.000 0.251 107 T C 1.526 176.270 174.700 0.073 0.000 1.079 107 T CA 0.307 62.450 62.100 0.071 0.000 1.067 107 T CB -0.381 68.587 68.868 0.166 0.000 0.948 107 T HN 0.233 nan 8.240 nan 0.000 0.496 108 L N 2.187 123.473 121.223 0.104 0.000 2.042 108 L HA 0.175 4.516 4.340 0.001 0.000 0.210 108 L C 2.781 179.662 176.870 0.017 0.000 1.076 108 L CA 1.929 56.839 54.840 0.116 0.000 0.749 108 L CB -1.279 40.838 42.059 0.096 0.000 0.893 108 L HN 0.358 nan 8.230 nan 0.000 0.432 109 A N -0.325 122.469 122.820 -0.043 0.000 1.851 109 A HA -0.307 4.013 4.320 0.001 0.000 0.216 109 A C 2.165 179.613 177.584 -0.227 0.000 1.195 109 A CA 2.082 54.056 52.037 -0.106 0.000 0.622 109 A CB -0.858 18.093 19.000 -0.081 0.000 0.831 109 A HN 0.752 nan 8.150 nan 0.000 0.444 110 Q N -1.015 118.585 119.800 -0.333 0.000 2.119 110 Q HA -0.178 4.163 4.340 0.001 0.000 0.201 110 Q C 1.031 176.366 176.000 -1.107 0.000 0.972 110 Q CA 1.599 56.988 55.803 -0.689 0.000 0.847 110 Q CB -0.504 27.805 28.738 -0.715 0.000 0.903 110 Q HN 0.472 nan 8.270 nan 0.000 0.433 111 D N 0.823 120.827 120.400 -0.660 0.000 2.264 111 D HA -0.032 4.608 4.640 0.001 0.000 0.208 111 D C 1.776 177.842 176.300 -0.389 0.000 0.966 111 D CA 0.669 54.322 54.000 -0.578 0.000 0.864 111 D CB 0.043 40.877 40.800 0.058 0.000 0.933 111 D HN 0.245 nan 8.370 nan 0.000 0.499 112 L N 0.084 121.188 121.223 -0.199 0.000 2.072 112 L HA -0.034 4.307 4.340 0.001 0.000 0.205 112 L C 2.439 179.200 176.870 -0.182 0.000 1.079 112 L CA 0.861 55.631 54.840 -0.117 0.000 0.752 112 L CB -0.020 41.935 42.059 -0.172 0.000 0.906 112 L HN -0.066 nan 8.230 nan 0.000 0.436 113 R N -1.067 119.278 120.500 -0.258 0.000 2.096 113 R HA -0.164 4.177 4.340 0.001 0.000 0.235 113 R C 2.099 178.353 176.300 -0.076 0.000 1.127 113 R CA 1.129 57.128 56.100 -0.168 0.000 0.968 113 R CB -0.338 29.853 30.300 -0.181 0.000 0.861 113 R HN 0.293 nan 8.270 nan 0.000 0.440 114 Y N -0.038 120.034 120.300 -0.381 0.000 2.497 114 Y HA 0.036 4.587 4.550 0.001 0.000 0.292 114 Y C 1.875 177.563 175.900 -0.353 0.000 1.137 114 Y CA 0.795 58.577 58.100 -0.530 0.000 1.285 114 Y CB -0.574 37.137 38.460 -1.248 0.000 0.991 114 Y HN 0.368 nan 8.280 nan 0.000 0.556 115 G N -1.615 107.127 108.800 -0.096 0.000 2.141 115 G HA2 -0.294 3.667 3.960 0.001 0.000 0.242 115 G HA3 -0.294 3.667 3.960 0.001 0.000 0.242 115 G C 0.827 175.806 174.900 0.132 0.000 0.982 115 G CA 0.266 45.384 45.100 0.030 0.000 0.662 115 G HN 0.231 nan 8.290 nan 0.000 0.527 116 F N 0.045 119.893 119.950 -0.170 0.000 2.161 116 F HA 0.171 4.699 4.527 0.001 0.000 0.300 116 F C 1.442 176.937 175.800 -0.509 0.000 1.089 116 F CA 0.239 57.993 58.000 -0.410 0.000 1.282 116 F CB -0.670 37.938 39.000 -0.653 0.000 1.010 116 F HN 0.365 nan 8.300 nan 0.000 0.485 117 Y N -0.844 119.608 120.300 0.253 0.000 2.393 117 Y HA 0.548 5.098 4.550 0.001 0.000 0.341 117 Y C 1.215 177.240 175.900 0.210 0.000 0.988 117 Y CA -1.014 57.229 58.100 0.239 0.000 1.078 117 Y CB 0.541 39.230 38.460 0.382 0.000 1.203 117 Y HN 0.003 nan 8.280 nan 0.000 0.453 118 G N 2.613 111.624 108.800 0.352 0.000 1.940 118 G HA2 -0.215 3.746 3.960 0.001 0.000 0.544 118 G HA3 -0.215 3.746 3.960 0.001 0.000 0.544 118 G C -0.154 174.887 174.900 0.235 0.000 1.222 118 G CA 0.111 45.370 45.100 0.265 0.000 1.086 118 G HN 0.571 nan 8.290 nan 0.000 0.519 119 K N -1.166 119.376 120.400 0.237 0.000 2.123 119 K HA 0.507 4.827 4.320 0.001 0.000 0.248 119 K C -1.115 175.630 176.600 0.241 0.000 0.969 119 K CA -0.632 55.761 56.287 0.177 0.000 0.882 119 K CB 1.730 34.306 32.500 0.127 0.000 1.080 119 K HN 0.114 nan 8.250 nan 0.000 0.441 120 V N 4.308 124.310 119.914 0.146 0.000 2.311 120 V HA 0.085 4.205 4.120 0.001 0.000 0.275 120 V C 0.524 176.674 176.094 0.092 0.000 1.022 120 V CA -0.509 61.882 62.300 0.151 0.000 0.830 120 V CB 1.173 33.024 31.823 0.047 0.000 1.012 120 V HN 0.854 nan 8.190 nan 0.000 0.452 121 D N 2.561 123.017 120.400 0.093 0.000 2.120 121 D HA 0.003 4.644 4.640 0.001 0.000 0.202 121 D C 0.627 176.945 176.300 0.030 0.000 0.972 121 D CA 1.473 55.510 54.000 0.062 0.000 0.837 121 D CB 1.003 41.842 40.800 0.066 0.000 0.989 121 D HN 0.455 nan 8.370 nan 0.000 0.469 122 V N -1.123 118.786 119.914 -0.008 0.000 3.007 122 V HA 0.722 4.843 4.120 0.001 0.000 0.311 122 V C -1.894 174.130 176.094 -0.115 0.000 1.120 122 V CA -0.780 61.490 62.300 -0.050 0.000 0.980 122 V CB 2.166 33.962 31.823 -0.044 0.000 1.033 122 V HN 0.069 nan 8.190 nan 0.000 0.429 123 A N 6.326 129.074 122.820 -0.120 0.000 2.319 123 A HA 0.846 5.166 4.320 0.001 0.000 0.310 123 A C -0.905 176.593 177.584 -0.143 0.000 1.152 123 A CA -0.649 51.300 52.037 -0.147 0.000 0.783 123 A CB 0.923 19.873 19.000 -0.084 0.000 1.184 123 A HN 0.811 nan 8.150 nan 0.000 0.474 124 I N 4.389 124.850 120.570 -0.181 0.000 2.321 124 I HA 0.447 4.617 4.170 0.001 0.000 0.291 124 I C -0.034 176.093 176.117 0.016 0.000 0.998 124 I CA -0.223 61.040 61.300 -0.062 0.000 1.227 124 I CB 0.531 38.546 38.000 0.024 0.000 1.368 124 I HN 0.687 nan 8.210 nan 0.000 0.466 125 I N 1.985 122.559 120.570 0.007 0.000 2.828 125 I HA 0.624 4.795 4.170 0.001 0.000 0.302 125 I C -0.510 175.615 176.117 0.014 0.000 1.101 125 I CA -0.817 60.495 61.300 0.020 0.000 1.031 125 I CB 2.763 40.757 38.000 -0.009 0.000 1.231 125 I HN 0.554 nan 8.210 nan 0.000 0.427 126 E N 3.883 124.092 120.200 0.015 0.000 2.191 126 E HA 0.660 5.010 4.350 0.001 0.000 0.278 126 E C -1.642 174.941 176.600 -0.029 0.000 0.972 126 E CA -0.665 55.734 56.400 -0.000 0.000 0.804 126 E CB 2.072 31.769 29.700 -0.005 0.000 1.110 126 E HN 0.596 nan 8.360 nan 0.000 0.394 127 V N 2.736 122.637 119.914 -0.020 0.000 3.040 127 V HA 0.464 4.585 4.120 0.001 0.000 0.312 127 V C 0.346 176.440 176.094 0.001 0.000 1.115 127 V CA -0.190 62.093 62.300 -0.028 0.000 0.998 127 V CB 1.716 33.523 31.823 -0.026 0.000 1.042 127 V HN 0.894 nan 8.190 nan 0.000 0.433 128 A N 1.415 124.236 122.820 0.002 0.000 2.169 128 A HA 0.446 4.766 4.320 0.001 0.000 0.210 128 A C 0.295 177.897 177.584 0.030 0.000 1.168 128 A CA 0.886 52.948 52.037 0.042 0.000 0.813 128 A CB -0.023 19.011 19.000 0.056 0.000 0.861 128 A HN 0.876 nan 8.150 nan 0.000 0.481 129 D N -2.375 118.033 120.400 0.013 0.000 2.746 129 D HA 0.305 4.945 4.640 0.001 0.000 0.211 129 D C -1.811 174.483 176.300 -0.010 0.000 1.242 129 D CA -0.064 53.941 54.000 0.010 0.000 0.790 129 D CB 1.723 42.526 40.800 0.006 0.000 1.744 129 D HN 0.167 nan 8.370 nan 0.000 0.520 130 V N 3.720 123.629 119.914 -0.008 0.000 2.443 130 V HA 0.639 4.759 4.120 0.001 0.000 0.293 130 V C -0.358 175.717 176.094 -0.031 0.000 1.021 130 V CA -0.063 62.217 62.300 -0.033 0.000 0.848 130 V CB 1.509 33.300 31.823 -0.053 0.000 0.998 130 V HN 0.695 nan 8.190 nan 0.000 0.424 131 T N 4.398 118.918 114.554 -0.056 0.000 2.828 131 T HA 0.169 4.519 4.350 0.001 0.000 0.290 131 T C 0.960 175.632 174.700 -0.047 0.000 1.019 131 T CA -0.008 62.058 62.100 -0.057 0.000 1.031 131 T CB 1.380 70.186 68.868 -0.104 0.000 1.001 131 T HN 0.879 nan 8.240 nan 0.000 0.531 132 E N 0.938 121.119 120.200 -0.031 0.000 2.208 132 E HA -0.107 4.243 4.350 0.001 0.000 0.193 132 E C 1.250 177.830 176.600 -0.035 0.000 0.988 132 E CA 0.837 57.223 56.400 -0.024 0.000 0.828 132 E CB -0.009 29.688 29.700 -0.005 0.000 0.763 132 E HN 0.660 nan 8.360 nan 0.000 0.478 133 D N -1.230 119.143 120.400 -0.045 0.000 2.352 133 D HA 0.110 4.751 4.640 0.001 0.000 0.236 133 D C 0.767 177.039 176.300 -0.048 0.000 1.148 133 D CA 0.460 54.434 54.000 -0.043 0.000 0.844 133 D CB -0.295 40.477 40.800 -0.048 0.000 0.933 133 D HN 0.181 nan 8.370 nan 0.000 0.507 134 G N 0.641 109.410 108.800 -0.052 0.000 2.198 134 G HA2 -0.300 3.660 3.960 0.001 0.000 0.257 134 G HA3 -0.300 3.660 3.960 0.001 0.000 0.257 134 G C -0.158 174.716 174.900 -0.043 0.000 1.042 134 G CA -0.166 44.907 45.100 -0.046 0.000 0.791 134 G HN 0.435 nan 8.290 nan 0.000 0.502 135 K N -0.304 120.045 120.400 -0.085 0.000 2.234 135 K HA 0.578 4.898 4.320 0.001 0.000 0.277 135 K C -0.166 176.400 176.600 -0.057 0.000 1.038 135 K CA -0.749 55.469 56.287 -0.115 0.000 0.888 135 K CB 1.183 33.465 32.500 -0.363 0.000 1.091 135 K HN 0.137 nan 8.250 nan 0.000 0.467 136 I N 3.598 124.181 120.570 0.021 0.000 2.377 136 I HA 0.204 4.374 4.170 0.001 0.000 0.293 136 I C -0.802 175.322 176.117 0.011 0.000 0.987 136 I CA -0.672 60.628 61.300 0.001 0.000 1.185 136 I CB 1.332 39.325 38.000 -0.012 0.000 1.341 136 I HN 0.360 nan 8.210 nan 0.000 0.455 137 L N 9.896 131.100 121.223 -0.031 0.000 2.318 137 L HA 0.679 5.019 4.340 0.001 0.000 0.277 137 L C -2.490 174.287 176.870 -0.156 0.000 1.008 137 L CA -1.895 52.902 54.840 -0.072 0.000 0.846 137 L CB 0.933 42.992 42.059 -0.001 0.000 1.220 137 L HN 0.312 nan 8.230 nan 0.000 0.423 138 P HA 0.307 nan 4.420 nan 0.000 0.272 138 P C -0.104 177.093 177.300 -0.172 0.000 1.254 138 P CA -0.148 62.774 63.100 -0.296 0.000 0.795 138 P CB 0.480 31.933 31.700 -0.412 0.000 1.022 139 T N -3.666 110.845 114.554 -0.071 0.000 2.757 139 T HA 0.084 4.434 4.350 0.001 0.000 0.179 139 T C 1.289 176.064 174.700 0.125 0.000 0.705 139 T CA 0.939 63.000 62.100 -0.064 0.000 1.952 139 T CB -1.329 67.261 68.868 -0.464 0.000 2.670 139 T HN 0.431 nan 8.240 nan 0.000 0.404 140 T N -1.277 113.283 114.554 0.010 0.000 3.086 140 T HA 0.507 4.857 4.350 0.001 0.000 0.250 140 T C 0.696 175.460 174.700 0.107 0.000 1.074 140 T CA -0.025 62.137 62.100 0.103 0.000 0.988 140 T CB -0.205 68.727 68.868 0.107 0.000 0.988 140 T HN 0.873 nan 8.240 nan 0.000 0.530 141 G N -0.284 108.581 108.800 0.108 0.000 2.701 141 G HA2 0.541 4.502 3.960 0.001 0.000 0.300 141 G HA3 0.541 4.502 3.960 0.001 0.000 0.300 141 G C -0.038 174.938 174.900 0.127 0.000 1.410 141 G CA -0.552 44.635 45.100 0.145 0.000 1.014 141 G HN 0.032 nan 8.290 nan 0.000 0.509 142 V N 1.835 121.813 119.914 0.106 0.000 2.627 142 V HA 0.405 4.525 4.120 0.001 0.000 0.239 142 V C 2.417 178.560 176.094 0.083 0.000 1.077 142 V CA 1.849 64.188 62.300 0.064 0.000 1.103 142 V CB -0.887 30.952 31.823 0.028 0.000 0.802 142 V HN 1.613 nan 8.190 nan 0.000 0.482 143 G N 1.901 110.745 108.800 0.074 0.000 2.596 143 G HA2 -0.359 3.601 3.960 0.001 0.000 0.304 143 G HA3 -0.359 3.601 3.960 0.001 0.000 0.304 143 G C 0.678 175.636 174.900 0.097 0.000 1.189 143 G CA 0.765 45.967 45.100 0.171 0.000 0.986 143 G HN 1.093 nan 8.290 nan 0.000 0.548 144 I N -0.477 120.165 120.570 0.120 0.000 3.816 144 I HA 0.601 4.771 4.170 0.001 0.000 0.334 144 I C 1.901 178.047 176.117 0.049 0.000 1.551 144 I CA 0.154 61.498 61.300 0.072 0.000 1.153 144 I CB 0.270 38.315 38.000 0.075 0.000 1.197 144 I HN 0.492 nan 8.210 nan 0.000 0.439 145 L N 3.613 124.866 121.223 0.050 0.000 1.976 145 L HA -0.092 4.248 4.340 0.001 0.000 0.223 145 L C -0.450 176.423 176.870 0.004 0.000 1.081 145 L CA 2.787 57.642 54.840 0.025 0.000 0.784 145 L CB -1.542 40.523 42.059 0.009 0.000 0.896 145 L HN 0.214 nan 8.230 nan 0.000 0.438 146 P HA -0.155 nan 4.420 nan 0.000 0.217 146 P C 1.433 178.727 177.300 -0.010 0.000 1.148 146 P CA 2.191 65.287 63.100 -0.007 0.000 0.828 146 P CB -0.298 31.400 31.700 -0.004 0.000 0.783 147 T N 1.223 115.769 114.554 -0.012 0.000 2.812 147 T HA -0.054 4.297 4.350 0.001 0.000 0.264 147 T C 1.977 176.652 174.700 -0.042 0.000 1.042 147 T CA 1.305 63.384 62.100 -0.035 0.000 1.140 147 T CB -0.770 68.066 68.868 -0.053 0.000 0.870 147 T HN 0.253 nan 8.240 nan 0.000 0.445 148 I N -0.493 120.058 120.570 -0.031 0.000 2.394 148 I HA -0.067 4.103 4.170 0.001 0.000 0.251 148 I C 2.271 178.369 176.117 -0.031 0.000 1.136 148 I CA 0.966 62.246 61.300 -0.033 0.000 1.425 148 I CB -1.017 36.976 38.000 -0.012 0.000 1.079 148 I HN 0.180 nan 8.210 nan 0.000 0.425 149 C N 0.997 120.282 119.300 -0.025 0.000 2.450 149 C HA -0.037 4.424 4.460 0.001 0.000 0.279 149 C C 3.025 178.002 174.990 -0.022 0.000 1.335 149 C CA 0.848 59.851 59.018 -0.025 0.000 1.749 149 C CB -1.214 26.514 27.740 -0.020 0.000 1.963 149 C HN 0.547 nan 8.230 nan 0.000 0.501 150 R N 0.372 120.860 120.500 -0.021 0.000 2.062 150 R HA -0.054 4.287 4.340 0.001 0.000 0.229 150 R C 1.763 178.052 176.300 -0.018 0.000 1.128 150 R CA 1.388 57.477 56.100 -0.017 0.000 0.960 150 R CB -0.281 30.008 30.300 -0.018 0.000 0.855 150 R HN 0.301 nan 8.270 nan 0.000 0.432 151 L N 1.063 122.271 121.223 -0.026 0.000 2.313 151 L HA 0.199 4.539 4.340 0.001 0.000 0.214 151 L C 0.956 177.820 176.870 -0.010 0.000 1.119 151 L CA 0.822 55.648 54.840 -0.023 0.000 0.809 151 L CB -0.866 41.167 42.059 -0.044 0.000 0.933 151 L HN 0.132 nan 8.230 nan 0.000 0.449 152 A N -0.512 122.300 122.820 -0.014 0.000 2.462 152 A HA 0.102 4.423 4.320 0.001 0.000 0.243 152 A C 1.051 178.634 177.584 -0.002 0.000 1.076 152 A CA -0.202 51.831 52.037 -0.007 0.000 0.773 152 A CB 0.104 19.088 19.000 -0.026 0.000 1.010 152 A HN 0.219 nan 8.150 nan 0.000 0.493 153 D N 0.422 120.829 120.400 0.012 0.000 2.149 153 D HA -0.013 4.628 4.640 0.001 0.000 0.201 153 D C 0.770 177.075 176.300 0.007 0.000 0.972 153 D CA 1.432 55.444 54.000 0.019 0.000 0.835 153 D CB 0.121 40.945 40.800 0.041 0.000 0.966 153 D HN 0.759 nan 8.370 nan 0.000 0.476 154 R N -0.379 120.118 120.500 -0.005 0.000 2.740 154 R HA 0.682 5.022 4.340 0.001 0.000 0.273 154 R C -1.032 175.222 176.300 -0.077 0.000 0.998 154 R CA -0.707 55.369 56.100 -0.040 0.000 0.900 154 R CB 1.529 31.817 30.300 -0.020 0.000 1.223 154 R HN -0.181 nan 8.270 nan 0.000 0.466 155 I N 2.633 123.133 120.570 -0.117 0.000 2.465 155 I HA 0.409 4.580 4.170 0.001 0.000 0.291 155 I C -0.363 175.647 176.117 -0.178 0.000 1.014 155 I CA -1.064 60.160 61.300 -0.125 0.000 1.093 155 I CB 2.208 40.149 38.000 -0.100 0.000 1.267 155 I HN 0.470 nan 8.210 nan 0.000 0.431 156 I N 6.614 127.091 120.570 -0.156 0.000 2.359 156 I HA 0.307 4.477 4.170 0.001 0.000 0.284 156 I C -0.335 175.716 176.117 -0.110 0.000 1.018 156 I CA -0.682 60.519 61.300 -0.165 0.000 1.173 156 I CB 1.463 39.388 38.000 -0.125 0.000 1.326 156 I HN 0.199 nan 8.210 nan 0.000 0.462 157 V N 5.770 125.608 119.914 -0.127 0.000 2.644 157 V HA 0.292 4.412 4.120 0.001 0.000 0.295 157 V C 0.094 176.150 176.094 -0.062 0.000 1.053 157 V CA -0.525 61.720 62.300 -0.092 0.000 0.987 157 V CB 1.712 33.466 31.823 -0.116 0.000 1.006 157 V HN 0.690 nan 8.190 nan 0.000 0.472 158 E N 3.160 123.346 120.200 -0.023 0.000 2.186 158 E HA 0.382 4.732 4.350 0.001 0.000 0.255 158 E C -1.171 175.445 176.600 0.027 0.000 0.881 158 E CA -0.480 55.926 56.400 0.011 0.000 0.752 158 E CB 1.392 31.109 29.700 0.028 0.000 1.176 158 E HN 0.627 nan 8.360 nan 0.000 0.421 159 L N 5.055 126.307 121.223 0.049 0.000 2.312 159 L HA 0.265 4.606 4.340 0.001 0.000 0.287 159 L C -0.296 176.628 176.870 0.090 0.000 1.091 159 L CA -0.299 54.585 54.840 0.073 0.000 0.846 159 L CB 0.256 42.385 42.059 0.117 0.000 1.219 159 L HN 0.481 nan 8.230 nan 0.000 0.439 160 N N 3.127 121.887 118.700 0.101 0.000 2.458 160 N HA -0.029 4.711 4.740 0.001 0.000 0.270 160 N C 0.656 176.247 175.510 0.134 0.000 1.102 160 N CA -0.008 53.128 53.050 0.144 0.000 0.967 160 N CB 1.199 39.833 38.487 0.244 0.000 1.078 160 N HN 0.551 nan 8.380 nan 0.000 0.471 161 D N 2.469 122.924 120.400 0.091 0.000 2.123 161 D HA -0.136 4.505 4.640 0.001 0.000 0.196 161 D C 0.912 177.226 176.300 0.024 0.000 0.992 161 D CA 1.194 55.224 54.000 0.050 0.000 0.833 161 D CB 0.497 41.316 40.800 0.033 0.000 0.954 161 D HN 0.462 nan 8.370 nan 0.000 0.455 162 K N 0.421 120.826 120.400 0.009 0.000 2.442 162 K HA -0.068 4.252 4.320 0.001 0.000 0.198 162 K C 0.113 176.554 176.600 -0.266 0.000 1.042 162 K CA 0.501 56.718 56.287 -0.116 0.000 0.958 162 K CB -0.501 31.899 32.500 -0.168 0.000 0.766 162 K HN 0.392 nan 8.250 nan 0.000 0.474 163 H N 0.889 119.972 119.070 0.020 0.000 2.595 163 H HA 0.207 4.763 4.556 0.001 0.000 0.313 163 H C -2.280 172.943 175.328 -0.175 0.000 1.023 163 H CA -2.014 53.981 56.048 -0.087 0.000 1.218 163 H CB 1.091 30.871 29.762 0.030 0.000 1.403 163 H HN -0.037 nan 8.280 nan 0.000 0.477 164 P HA 0.026 nan 4.420 nan 0.000 0.275 164 P C 0.105 177.337 177.300 -0.113 0.000 1.227 164 P CA -0.656 62.331 63.100 -0.188 0.000 0.781 164 P CB 1.508 33.051 31.700 -0.262 0.000 0.906 165 K N 1.327 121.699 120.400 -0.047 0.000 2.555 165 K HA -0.080 4.241 4.320 0.001 0.000 0.193 165 K C 0.713 177.311 176.600 -0.003 0.000 1.032 165 K CA 0.999 57.281 56.287 -0.008 0.000 1.004 165 K CB -0.235 32.266 32.500 0.001 0.000 0.804 165 K HN 0.220 nan 8.250 nan 0.000 0.496 166 E N 0.876 121.056 120.200 -0.033 0.000 2.418 166 E HA 0.026 4.376 4.350 0.001 0.000 0.197 166 E C 0.625 177.228 176.600 0.005 0.000 1.026 166 E CA 0.250 56.643 56.400 -0.011 0.000 0.862 166 E CB 0.030 29.718 29.700 -0.020 0.000 0.799 166 E HN 0.234 nan 8.360 nan 0.000 0.518 172 D N 1.893 122.327 120.400 0.056 0.000 2.375 172 D HA 0.273 4.913 4.640 0.001 0.000 0.259 172 D C -1.196 175.033 176.300 -0.117 0.000 1.235 172 D CA -0.466 53.505 54.000 -0.050 0.000 0.924 172 D CB 0.593 41.354 40.800 -0.065 0.000 1.143 172 D HN 0.294 nan 8.370 nan 0.000 0.529 173 L N 3.375 124.521 121.223 -0.128 0.000 2.309 173 L HA 0.696 5.036 4.340 0.001 0.000 0.282 173 L C 0.451 177.208 176.870 -0.189 0.000 1.036 173 L CA -0.748 54.005 54.840 -0.145 0.000 0.806 173 L CB 0.310 42.301 42.059 -0.114 0.000 1.220 173 L HN 0.754 nan 8.230 nan 0.000 0.429 174 C N 0.949 120.150 119.300 -0.165 0.000 3.056 174 C HA 0.636 5.097 4.460 0.001 0.000 0.336 174 C C -1.006 174.010 174.990 0.043 0.000 1.356 174 C CA -0.984 57.966 59.018 -0.114 0.000 1.216 174 C CB 1.773 29.405 27.740 -0.180 0.000 1.391 174 C HN 0.885 nan 8.230 nan 0.000 0.445 175 E N 0.990 121.248 120.200 0.096 0.000 2.356 175 E HA 0.751 5.101 4.350 0.001 0.000 0.275 175 E C -2.733 173.957 176.600 0.150 0.000 0.904 175 E CA -1.049 55.453 56.400 0.170 0.000 0.757 175 E CB 2.755 32.492 29.700 0.063 0.000 1.232 175 E HN 0.762 nan 8.360 nan 0.000 0.442 176 P HA 0.321 nan 4.420 nan 0.000 0.283 176 P C -0.722 176.606 177.300 0.046 0.000 1.278 176 P CA -0.738 62.418 63.100 0.093 0.000 0.834 176 P CB 0.911 32.647 31.700 0.061 0.000 1.150 177 L N 1.198 122.446 121.223 0.041 0.000 2.476 177 L HA 0.194 4.534 4.340 0.001 0.000 0.264 177 L C 0.815 177.712 176.870 0.044 0.000 1.224 177 L CA 0.829 55.690 54.840 0.035 0.000 0.821 177 L CB -0.671 41.405 42.059 0.028 0.000 1.101 177 L HN 0.352 nan 8.230 nan 0.000 0.488 178 D N 1.271 121.705 120.400 0.056 0.000 2.272 178 D HA 0.386 5.027 4.640 0.001 0.000 0.247 178 D C -2.318 174.007 176.300 0.042 0.000 0.990 178 D CA -1.270 52.791 54.000 0.102 0.000 0.931 178 D CB 1.140 42.052 40.800 0.187 0.000 1.195 178 D HN 0.274 nan 8.370 nan 0.000 0.477 179 P HA 0.056 nan 4.420 nan 0.000 0.266 179 P C -1.810 175.456 177.300 -0.057 0.000 1.193 179 P CA -0.687 62.391 63.100 -0.037 0.000 0.770 179 P CB -0.134 31.520 31.700 -0.077 0.000 0.836 180 P HA 0.161 nan 4.420 nan 0.000 0.253 180 P C 0.443 177.736 177.300 -0.011 0.000 1.459 180 P CA 0.114 63.198 63.100 -0.027 0.000 0.908 180 P CB -0.066 31.617 31.700 -0.027 0.000 1.470 181 A N -0.173 122.645 122.820 -0.003 0.000 2.387 181 A HA 0.143 4.463 4.320 0.001 0.000 0.234 181 A C 1.155 178.747 177.584 0.013 0.000 1.253 181 A CA -0.385 51.656 52.037 0.005 0.000 0.894 181 A CB -0.352 18.652 19.000 0.006 0.000 0.963 181 A HN 0.117 nan 8.150 nan 0.000 0.508 182 R N 1.086 121.595 120.500 0.016 0.000 2.537 182 R HA 0.220 4.561 4.340 0.001 0.000 0.280 182 R C -0.103 176.210 176.300 0.021 0.000 1.058 182 R CA -0.081 56.032 56.100 0.022 0.000 1.057 182 R CB 0.408 30.724 30.300 0.026 0.000 0.973 182 R HN 0.236 nan 8.270 nan 0.000 0.438 183 R N 1.820 122.336 120.500 0.026 0.000 2.719 183 R HA 0.165 4.505 4.340 0.001 0.000 0.233 183 R C -0.169 176.151 176.300 0.032 0.000 1.257 183 R CA -0.743 55.375 56.100 0.030 0.000 1.109 183 R CB 0.238 30.560 30.300 0.036 0.000 1.447 183 R HN 0.749 nan 8.270 nan 0.000 0.537 184 E N 1.369 121.593 120.200 0.041 0.000 2.374 184 E HA 0.077 4.428 4.350 0.001 0.000 0.260 184 E C -0.593 176.028 176.600 0.035 0.000 1.101 184 E CA -0.158 56.264 56.400 0.037 0.000 0.907 184 E CB 0.513 30.251 29.700 0.063 0.000 1.014 184 E HN 0.390 nan 8.360 nan 0.000 0.427 185 L N 2.848 124.075 121.223 0.007 0.000 2.270 185 L HA 0.235 4.576 4.340 0.001 0.000 0.286 185 L C -1.661 175.150 176.870 -0.099 0.000 1.059 185 L CA -1.975 52.888 54.840 0.038 0.000 0.839 185 L CB 0.765 42.860 42.059 0.060 0.000 1.221 185 L HN 0.335 nan 8.230 nan 0.000 0.431 186 P HA -0.081 nan 4.420 nan 0.000 0.272 186 P C -0.150 176.880 177.300 -0.450 0.000 1.542 186 P CA 0.479 63.452 63.100 -0.213 0.000 0.846 186 P CB 0.031 31.771 31.700 0.067 0.000 1.782 187 V N 1.051 120.584 119.914 -0.633 0.000 2.350 187 V HA 0.278 4.399 4.120 0.001 0.000 0.285 187 V C -0.246 175.432 176.094 -0.693 0.000 1.014 187 V CA -0.586 61.442 62.300 -0.452 0.000 0.831 187 V CB 0.747 32.476 31.823 -0.157 0.000 1.000 187 V HN 0.023 nan 8.190 nan 0.000 0.433 188 Y N 3.141 123.414 120.300 -0.045 0.000 2.445 188 Y HA 0.471 5.022 4.550 0.001 0.000 0.247 188 Y C 1.016 176.869 175.900 -0.078 0.000 1.129 188 Y CA -0.230 57.835 58.100 -0.058 0.000 1.251 188 Y CB 0.857 39.292 38.460 -0.041 0.000 1.176 188 Y HN 0.572 nan 8.280 nan 0.000 0.522 189 T N 1.767 116.317 114.554 -0.006 0.000 2.916 189 T HA 0.193 4.543 4.350 0.001 0.000 0.305 189 T C -2.130 172.529 174.700 -0.068 0.000 1.119 189 T CA -1.373 60.701 62.100 -0.043 0.000 1.008 189 T CB 2.349 71.190 68.868 -0.046 0.000 1.129 189 T HN -0.250 nan 8.240 nan 0.000 0.480 190 P HA -0.054 nan 4.420 nan 0.000 0.228 190 P C 0.928 178.316 177.300 0.148 0.000 1.151 190 P CA 0.761 63.975 63.100 0.189 0.000 0.770 190 P CB 0.096 32.013 31.700 0.361 0.000 0.786 191 S N -2.536 112.974 115.700 -0.318 0.000 2.568 191 S HA 0.130 4.600 4.470 0.001 0.000 0.232 191 S C 0.319 174.755 174.600 -0.273 0.000 0.975 191 S CA -0.607 57.143 58.200 -0.750 0.000 0.949 191 S CB -0.575 61.698 63.200 -1.543 0.000 0.829 191 S HN -0.112 nan 8.310 nan 0.000 0.479 192 D N 2.965 123.301 120.400 -0.106 0.000 2.351 192 D HA 0.256 4.896 4.640 0.001 0.000 0.251 192 D C 0.077 176.364 176.300 -0.022 0.000 1.137 192 D CA 0.160 54.129 54.000 -0.051 0.000 0.879 192 D CB 0.651 41.439 40.800 -0.021 0.000 1.181 192 D HN 0.281 nan 8.370 nan 0.000 0.448 193 R N 2.201 122.685 120.500 -0.027 0.000 2.312 193 R HA 0.416 4.757 4.340 0.001 0.000 0.311 193 R C 0.880 177.150 176.300 -0.051 0.000 1.004 193 R CA -0.335 55.744 56.100 -0.034 0.000 0.902 193 R CB 1.283 31.568 30.300 -0.025 0.000 1.073 193 R HN 0.546 nan 8.270 nan 0.000 0.457 194 I N -2.066 118.447 120.570 -0.095 0.000 4.442 194 I HA 0.391 4.561 4.170 0.001 0.000 0.331 194 I C 0.475 176.509 176.117 -0.137 0.000 1.364 194 I CA -0.298 60.941 61.300 -0.102 0.000 1.207 194 I CB 1.137 39.071 38.000 -0.110 0.000 1.298 194 I HN 0.571 nan 8.210 nan 0.000 0.463 195 G N 1.347 110.049 108.800 -0.165 0.000 3.252 195 G HA2 0.562 4.522 3.960 0.001 0.000 0.181 195 G HA3 0.562 4.522 3.960 0.001 0.000 0.181 195 G C -1.108 173.689 174.900 -0.171 0.000 1.187 195 G CA -0.644 44.347 45.100 -0.181 0.000 0.886 195 G HN 0.045 nan 8.290 nan 0.000 0.615 196 K N 0.608 120.867 120.400 -0.235 0.000 2.281 196 K HA 0.400 4.721 4.320 0.001 0.000 0.242 196 K C -2.038 174.403 176.600 -0.264 0.000 0.971 196 K CA -1.687 54.403 56.287 -0.328 0.000 0.834 196 K CB 3.010 35.119 32.500 -0.652 0.000 1.181 196 K HN 0.149 nan 8.250 nan 0.000 0.435 197 P HA -0.006 nan 4.420 nan 0.000 0.255 197 P C -1.310 176.055 177.300 0.109 0.000 1.357 197 P CA 0.465 63.588 63.100 0.038 0.000 0.839 197 P CB -0.113 31.666 31.700 0.132 0.000 1.356 198 Y N -3.620 116.676 120.300 -0.006 0.000 2.677 198 Y HA 0.553 5.103 4.550 0.001 0.000 0.334 198 Y C -1.858 174.014 175.900 -0.046 0.000 1.196 198 Y CA -1.977 56.097 58.100 -0.044 0.000 1.059 198 Y CB 0.610 39.053 38.460 -0.028 0.000 1.315 198 Y HN -0.228 nan 8.280 nan 0.000 0.455 199 V N 2.194 122.213 119.914 0.174 0.000 2.459 199 V HA 0.611 4.731 4.120 0.001 0.000 0.295 199 V C -1.053 175.173 176.094 0.220 0.000 1.029 199 V CA -0.371 61.985 62.300 0.092 0.000 0.874 199 V CB 1.449 33.281 31.823 0.014 0.000 0.985 199 V HN 0.968 nan 8.190 nan 0.000 0.438 200 Q N 4.994 124.908 119.800 0.190 0.000 2.278 200 Q HA 0.671 5.012 4.340 0.001 0.000 0.257 200 Q C -0.735 175.304 176.000 0.066 0.000 0.928 200 Q CA -0.136 55.767 55.803 0.166 0.000 0.932 200 Q CB 1.675 30.536 28.738 0.204 0.000 1.221 200 Q HN 1.118 nan 8.270 nan 0.000 0.434 201 V N 0.321 120.256 119.914 0.035 0.000 3.141 201 V HA 0.611 4.731 4.120 0.001 0.000 0.312 201 V C -0.783 175.309 176.094 -0.003 0.000 1.157 201 V CA -1.173 61.131 62.300 0.008 0.000 1.041 201 V CB 2.072 33.889 31.823 -0.009 0.000 1.071 201 V HN 0.761 nan 8.190 nan 0.000 0.441 202 D N 3.003 123.397 120.400 -0.009 0.000 2.339 202 D HA 0.341 4.981 4.640 0.001 0.000 0.256 202 D C -1.310 174.974 176.300 -0.026 0.000 1.214 202 D CA -1.903 52.090 54.000 -0.013 0.000 0.877 202 D CB 1.907 42.701 40.800 -0.010 0.000 1.111 202 D HN 0.505 nan 8.370 nan 0.000 0.478 203 P HA -0.177 nan 4.420 nan 0.000 0.220 203 P C 0.949 178.219 177.300 -0.049 0.000 1.144 203 P CA 0.773 63.846 63.100 -0.045 0.000 0.800 203 P CB 0.184 31.860 31.700 -0.040 0.000 0.772 204 A N 0.441 123.241 122.820 -0.034 0.000 2.067 204 A HA -0.135 4.185 4.320 0.001 0.000 0.219 204 A C 2.146 179.707 177.584 -0.038 0.000 1.158 204 A CA 1.240 53.260 52.037 -0.029 0.000 0.661 204 A CB -0.867 18.125 19.000 -0.013 0.000 0.801 204 A HN 0.212 nan 8.150 nan 0.000 0.452 205 K N -0.282 120.091 120.400 -0.045 0.000 2.366 205 K HA 0.102 4.422 4.320 0.001 0.000 0.198 205 K C -0.198 176.344 176.600 -0.096 0.000 1.044 205 K CA 0.141 56.396 56.287 -0.054 0.000 0.973 205 K CB 0.060 32.535 32.500 -0.042 0.000 0.767 205 K HN 0.346 nan 8.250 nan 0.000 0.475 206 I N 3.034 123.536 120.570 -0.113 0.000 2.389 206 I HA -0.060 4.110 4.170 0.001 0.000 0.295 206 I C 1.502 177.486 176.117 -0.223 0.000 1.117 206 I CA 0.274 61.474 61.300 -0.166 0.000 1.317 206 I CB 0.108 38.013 38.000 -0.159 0.000 1.431 206 I HN -0.097 nan 8.210 nan 0.000 0.521 207 V N 3.642 123.354 119.914 -0.337 0.000 3.141 207 V HA 0.400 4.520 4.120 0.001 0.000 0.265 207 V C 0.856 176.638 176.094 -0.521 0.000 1.126 207 V CA 0.850 62.831 62.300 -0.531 0.000 1.141 207 V CB -0.733 30.411 31.823 -1.131 0.000 0.743 207 V HN 0.865 nan 8.190 nan 0.000 0.492 208 G N -1.378 107.186 108.800 -0.394 0.000 2.377 208 G HA2 0.475 4.435 3.960 0.001 0.000 0.297 208 G HA3 0.475 4.435 3.960 0.001 0.000 0.297 208 G C -1.694 173.027 174.900 -0.298 0.000 1.547 208 G CA -0.112 44.802 45.100 -0.310 0.000 0.833 208 G HN 0.387 nan 8.290 nan 0.000 0.583 209 V N 0.901 120.595 119.914 -0.366 0.000 2.407 209 V HA 0.538 4.658 4.120 0.001 0.000 0.291 209 V C 0.038 176.035 176.094 -0.162 0.000 1.018 209 V CA -0.737 61.341 62.300 -0.371 0.000 0.842 209 V CB 1.435 32.800 31.823 -0.765 0.000 0.996 209 V HN 0.713 nan 8.190 nan 0.000 0.426 210 V N 5.889 125.779 119.914 -0.040 0.000 2.383 210 V HA 0.440 4.561 4.120 0.001 0.000 0.275 210 V C 0.511 176.664 176.094 0.099 0.000 1.036 210 V CA -0.742 61.591 62.300 0.054 0.000 0.889 210 V CB 1.259 33.104 31.823 0.037 0.000 0.985 210 V HN 0.766 nan 8.190 nan 0.000 0.459 211 R N 3.139 123.732 120.500 0.156 0.000 2.340 211 R HA 0.551 4.892 4.340 0.001 0.000 0.300 211 R C 0.291 176.645 176.300 0.089 0.000 1.069 211 R CA -0.115 56.069 56.100 0.139 0.000 0.984 211 R CB 1.238 31.621 30.300 0.139 0.000 1.003 211 R HN 0.923 nan 8.270 nan 0.000 0.459 212 T N -2.100 112.502 114.554 0.080 0.000 2.838 212 T HA 0.426 4.776 4.350 0.001 0.000 0.292 212 T C -0.445 174.295 174.700 0.067 0.000 1.113 212 T CA -0.831 61.310 62.100 0.067 0.000 1.008 212 T CB 2.050 70.959 68.868 0.068 0.000 1.259 212 T HN 0.320 nan 8.240 nan 0.000 0.520 213 S N 0.768 116.503 115.700 0.058 0.000 2.381 213 S HA 0.369 4.839 4.470 0.001 0.000 0.193 213 S C -1.534 173.097 174.600 0.050 0.000 1.287 213 S CA -0.579 57.652 58.200 0.051 0.000 1.199 213 S CB 0.030 63.249 63.200 0.033 0.000 1.214 213 S HN 0.619 nan 8.310 nan 0.000 0.444 214 E N 4.716 124.960 120.200 0.073 0.000 2.145 214 E HA 0.419 4.769 4.350 0.001 0.000 0.262 214 E C -2.627 174.016 176.600 0.073 0.000 0.883 214 E CA -2.087 54.356 56.400 0.071 0.000 0.748 214 E CB 1.865 31.617 29.700 0.086 0.000 1.140 214 E HN 0.426 nan 8.360 nan 0.000 0.417 215 P HA 0.196 nan 4.420 nan 0.000 0.278 215 P C -0.337 176.980 177.300 0.029 0.000 1.258 215 P CA -0.683 62.423 63.100 0.009 0.000 0.811 215 P CB 0.999 32.696 31.700 -0.004 0.000 1.063 216 N N 0.376 119.083 118.700 0.011 0.000 2.482 216 N HA 0.115 4.856 4.740 0.001 0.000 0.260 216 N C -0.246 175.266 175.510 0.004 0.000 1.236 216 N CA 0.269 53.332 53.050 0.021 0.000 0.938 216 N CB -0.219 38.264 38.487 -0.007 0.000 1.128 216 N HN 0.347 nan 8.380 nan 0.000 0.448 217 D N -0.006 120.398 120.400 0.007 0.000 2.371 217 D HA 0.144 4.784 4.640 0.001 0.000 0.242 217 D C 0.168 176.464 176.300 -0.007 0.000 1.218 217 D CA 0.073 54.073 54.000 0.001 0.000 0.945 217 D CB 0.605 41.407 40.800 0.003 0.000 1.137 217 D HN 0.410 nan 8.370 nan 0.000 0.464 218 E N -0.448 119.749 120.200 -0.005 0.000 2.239 218 E HA 0.362 4.712 4.350 0.001 0.000 0.261 218 E C -0.876 175.723 176.600 -0.001 0.000 1.016 218 E CA -0.859 55.536 56.400 -0.008 0.000 0.882 218 E CB 0.858 30.555 29.700 -0.006 0.000 1.190 218 E HN 0.331 nan 8.360 nan 0.000 0.415 219 S N 2.072 117.770 115.700 -0.003 0.000 2.525 219 S HA 0.201 4.671 4.470 0.001 0.000 0.285 219 S C -0.629 173.987 174.600 0.026 0.000 1.283 219 S CA -0.577 57.625 58.200 0.004 0.000 1.072 219 S CB 0.228 63.427 63.200 -0.002 0.000 0.867 219 S HN 0.363 nan 8.310 nan 0.000 0.492 220 D N 2.255 122.677 120.400 0.037 0.000 2.308 220 D HA 0.318 4.958 4.640 0.001 0.000 0.242 220 D C -0.027 176.351 176.300 0.130 0.000 1.059 220 D CA -0.650 53.398 54.000 0.080 0.000 0.830 220 D CB 0.612 41.453 40.800 0.068 0.000 1.161 220 D HN 0.549 nan 8.370 nan 0.000 0.494 221 F N 2.311 122.255 119.950 -0.010 0.000 1.891 221 F HA -0.224 4.303 4.527 0.001 0.000 0.205 221 F C -0.571 175.224 175.800 -0.007 0.000 0.957 221 F CA -0.313 57.682 58.000 -0.008 0.000 0.612 221 F CB -0.190 38.805 39.000 -0.008 0.000 0.630 221 F HN 0.377 nan 8.300 nan 0.000 0.712 222 A N 8.463 131.079 122.820 -0.339 0.000 3.159 222 A HA 0.526 4.846 4.320 0.001 0.000 0.330 222 A C -2.148 175.185 177.584 -0.419 0.000 1.032 222 A CA -0.783 51.009 52.037 -0.408 0.000 0.841 222 A CB -0.249 18.649 19.000 -0.170 0.000 1.093 222 A HN 0.556 nan 8.150 nan 0.000 0.478 223 P HA 0.310 nan 4.420 nan 0.000 0.272 223 P C -0.436 176.746 177.300 -0.197 0.000 1.223 223 P CA -0.248 62.644 63.100 -0.347 0.000 0.784 223 P CB 0.970 32.450 31.700 -0.365 0.000 0.923 224 L N 1.976 123.146 121.223 -0.088 0.000 2.439 224 L HA 0.367 4.707 4.340 0.001 0.000 0.261 224 L C 0.240 177.080 176.870 -0.050 0.000 1.153 224 L CA 0.501 55.304 54.840 -0.062 0.000 0.808 224 L CB 0.379 42.419 42.059 -0.031 0.000 1.126 224 L HN 0.529 nan 8.230 nan 0.000 0.460 225 D N 2.695 123.067 120.400 -0.047 0.000 2.936 225 D HA 0.378 5.019 4.640 0.001 0.000 0.238 225 D C -2.055 174.221 176.300 -0.040 0.000 1.248 225 D CA -1.413 52.564 54.000 -0.038 0.000 0.903 225 D CB 2.157 42.930 40.800 -0.044 0.000 1.544 225 D HN 0.186 nan 8.370 nan 0.000 0.543 226 P HA -0.190 nan 4.420 nan 0.000 0.216 226 P C 1.443 178.696 177.300 -0.079 0.000 1.150 226 P CA 0.677 63.746 63.100 -0.051 0.000 0.843 226 P CB 0.351 32.024 31.700 -0.046 0.000 0.787 227 V N 0.830 120.694 119.914 -0.083 0.000 2.358 227 V HA -0.197 3.924 4.120 0.001 0.000 0.246 227 V C 2.962 179.005 176.094 -0.086 0.000 1.047 227 V CA 2.694 64.927 62.300 -0.112 0.000 1.035 227 V CB -1.971 29.800 31.823 -0.086 0.000 0.658 227 V HN 0.328 nan 8.190 nan 0.000 0.452 228 T N -2.985 111.534 114.554 -0.058 0.000 2.951 228 T HA -0.169 4.181 4.350 0.001 0.000 0.268 228 T C 1.818 176.494 174.700 -0.040 0.000 1.073 228 T CA 0.816 62.890 62.100 -0.043 0.000 1.134 228 T CB -0.182 68.663 68.868 -0.038 0.000 0.884 228 T HN 0.355 nan 8.240 nan 0.000 0.479 229 Q N 1.262 121.036 119.800 -0.044 0.000 2.050 229 Q HA 0.078 4.418 4.340 0.001 0.000 0.202 229 Q C 2.801 178.779 176.000 -0.038 0.000 0.980 229 Q CA 1.830 57.613 55.803 -0.034 0.000 0.840 229 Q CB -0.967 27.751 28.738 -0.034 0.000 0.898 229 Q HN 0.721 nan 8.270 nan 0.000 0.424 230 A N 1.120 123.903 122.820 -0.062 0.000 1.845 230 A HA -0.177 4.144 4.320 0.001 0.000 0.215 230 A C 2.224 179.778 177.584 -0.050 0.000 1.195 230 A CA 1.357 53.350 52.037 -0.074 0.000 0.616 230 A CB -0.854 18.060 19.000 -0.143 0.000 0.832 230 A HN 0.311 nan 8.150 nan 0.000 0.443 231 I N -0.262 120.277 120.570 -0.051 0.000 2.118 231 I HA -0.280 3.891 4.170 0.001 0.000 0.241 231 I C 2.722 178.837 176.117 -0.003 0.000 1.070 231 I CA 1.371 62.658 61.300 -0.022 0.000 1.327 231 I CB -0.745 37.246 38.000 -0.015 0.000 1.034 231 I HN 0.430 nan 8.210 nan 0.000 0.405 232 G N 0.019 108.815 108.800 -0.006 0.000 2.442 232 G HA2 -0.345 3.616 3.960 0.001 0.000 0.219 232 G HA3 -0.345 3.616 3.960 0.001 0.000 0.219 232 G C 1.259 176.168 174.900 0.014 0.000 1.141 232 G CA 1.373 46.476 45.100 0.006 0.000 0.763 232 G HN 0.410 nan 8.290 nan 0.000 0.554 233 D N 0.334 120.739 120.400 0.008 0.000 2.117 233 D HA -0.093 4.547 4.640 0.001 0.000 0.198 233 D C 2.330 178.650 176.300 0.034 0.000 0.982 233 D CA 1.016 55.025 54.000 0.016 0.000 0.828 233 D CB -0.049 40.755 40.800 0.006 0.000 0.967 233 D HN 0.116 nan 8.370 nan 0.000 0.464 234 N N -0.059 118.662 118.700 0.033 0.000 2.104 234 N HA -0.135 4.605 4.740 0.001 0.000 0.190 234 N C 1.949 177.520 175.510 0.102 0.000 1.024 234 N CA 0.842 53.927 53.050 0.057 0.000 0.853 234 N CB -0.488 38.018 38.487 0.033 0.000 1.008 234 N HN 0.168 nan 8.380 nan 0.000 0.424 235 V N 1.537 121.500 119.914 0.082 0.000 2.261 235 V HA -0.207 3.913 4.120 0.001 0.000 0.246 235 V C 2.465 178.651 176.094 0.155 0.000 1.047 235 V CA 1.908 64.284 62.300 0.127 0.000 1.015 235 V CB -1.092 30.774 31.823 0.071 0.000 0.642 235 V HN 0.312 nan 8.190 nan 0.000 0.446 236 A N -0.022 122.844 122.820 0.076 0.000 1.902 236 A HA -0.114 4.207 4.320 0.001 0.000 0.217 236 A C 2.395 179.993 177.584 0.024 0.000 1.181 236 A CA 2.186 54.239 52.037 0.028 0.000 0.623 236 A CB -0.814 18.187 19.000 0.000 0.000 0.818 236 A HN 0.589 nan 8.150 nan 0.000 0.443 237 A N -1.318 121.537 122.820 0.058 0.000 1.969 237 A HA 0.035 4.355 4.320 0.001 0.000 0.218 237 A C 2.001 179.642 177.584 0.094 0.000 1.169 237 A CA 1.504 53.573 52.037 0.054 0.000 0.635 237 A CB -0.654 18.384 19.000 0.063 0.000 0.810 237 A HN 0.717 nan 8.150 nan 0.000 0.445 238 F N 0.420 120.375 119.950 0.007 0.000 2.102 238 F HA -0.128 4.400 4.527 0.001 0.000 0.298 238 F C 1.724 177.541 175.800 0.028 0.000 1.105 238 F CA 1.408 59.422 58.000 0.024 0.000 1.239 238 F CB -0.431 38.590 39.000 0.036 0.000 0.991 238 F HN 0.133 nan 8.300 nan 0.000 0.474 239 L N 0.616 121.758 121.223 -0.136 0.000 2.012 239 L HA -0.168 4.172 4.340 0.001 0.000 0.210 239 L C 2.888 179.630 176.870 -0.215 0.000 1.073 239 L CA 2.025 56.740 54.840 -0.207 0.000 0.748 239 L CB -1.618 40.465 42.059 0.041 0.000 0.891 239 L HN 0.325 nan 8.230 nan 0.000 0.431 240 V N -3.639 116.166 119.914 -0.181 0.000 2.407 240 V HA -0.222 3.899 4.120 0.001 0.000 0.248 240 V C 2.536 178.545 176.094 -0.141 0.000 1.055 240 V CA 1.942 64.135 62.300 -0.179 0.000 1.049 240 V CB -0.999 30.739 31.823 -0.142 0.000 0.662 240 V HN 0.464 nan 8.190 nan 0.000 0.455 241 S N -0.549 115.069 115.700 -0.136 0.000 2.399 241 S HA -0.097 4.373 4.470 0.001 0.000 0.231 241 S C 1.246 175.756 174.600 -0.150 0.000 1.022 241 S CA 0.738 58.875 58.200 -0.106 0.000 0.983 241 S CB -0.546 62.625 63.200 -0.048 0.000 0.803 241 S HN 0.781 nan 8.310 nan 0.000 0.480 245 A N 1.750 124.556 122.820 -0.023 0.000 2.169 245 A HA 0.470 4.790 4.320 0.001 0.000 0.212 245 A C 1.657 179.245 177.584 0.007 0.000 1.153 245 A CA 1.162 53.196 52.037 -0.006 0.000 0.756 245 A CB -0.357 18.637 19.000 -0.009 0.000 0.813 245 A HN 0.992 nan 8.150 nan 0.000 0.471 246 G N -0.981 107.823 108.800 0.007 0.000 2.141 246 G HA2 -0.253 3.708 3.960 0.001 0.000 0.242 246 G HA3 -0.253 3.708 3.960 0.001 0.000 0.242 246 G C 0.796 175.726 174.900 0.050 0.000 0.982 246 G CA 0.465 45.581 45.100 0.026 0.000 0.662 246 G HN 0.502 nan 8.290 nan 0.000 0.527 247 R N -0.589 119.940 120.500 0.049 0.000 2.317 247 R HA 0.501 4.842 4.340 0.001 0.000 0.208 247 R C 0.527 176.938 176.300 0.184 0.000 0.914 247 R CA 0.477 56.636 56.100 0.098 0.000 1.060 247 R CB 0.333 30.673 30.300 0.068 0.000 1.015 247 R HN 0.487 nan 8.270 nan 0.000 0.498 248 I N 1.545 122.177 120.570 0.103 0.000 2.644 248 I HA 0.260 4.430 4.170 0.001 0.000 0.291 248 I C -2.409 173.717 176.117 0.015 0.000 1.180 248 I CA -2.583 58.743 61.300 0.043 0.000 1.040 248 I CB 2.631 40.635 38.000 0.008 0.000 1.255 248 I HN -0.180 nan 8.210 nan 0.000 0.422 249 P HA 0.052 nan 4.420 nan 0.000 0.264 249 P C 0.104 177.420 177.300 0.026 0.000 1.183 249 P CA -0.211 62.891 63.100 0.003 0.000 0.763 249 P CB 0.987 32.673 31.700 -0.024 0.000 0.807 250 K N 1.501 121.915 120.400 0.023 0.000 2.173 250 K HA -0.159 4.161 4.320 0.001 0.000 0.207 250 K C 1.074 177.696 176.600 0.037 0.000 1.046 250 K CA 1.596 57.894 56.287 0.018 0.000 0.929 250 K CB -0.408 32.097 32.500 0.008 0.000 0.720 250 K HN 0.461 nan 8.250 nan 0.000 0.453 251 D N -0.959 119.475 120.400 0.057 0.000 2.328 251 D HA 0.060 4.701 4.640 0.001 0.000 0.226 251 D C 0.237 176.657 176.300 0.199 0.000 1.066 251 D CA 0.092 54.145 54.000 0.089 0.000 0.861 251 D CB -0.101 40.736 40.800 0.061 0.000 0.912 251 D HN 0.146 nan 8.370 nan 0.000 0.521 252 F N -1.074 118.841 119.950 -0.058 0.000 2.183 252 F HA -0.345 4.182 4.527 0.001 0.000 0.318 252 F C -1.157 174.579 175.800 -0.106 0.000 0.255 252 F CA -0.363 57.586 58.000 -0.085 0.000 0.912 252 F CB -0.290 38.689 39.000 -0.036 0.000 4.135 252 F HN -0.123 nan 8.300 nan 0.000 0.137 253 L N 0.795 121.703 121.223 -0.525 0.000 2.397 253 L HA 0.611 4.951 4.340 0.001 0.000 0.251 253 L C -2.387 174.210 176.870 -0.456 0.000 1.064 253 L CA -1.876 52.692 54.840 -0.453 0.000 0.859 253 L CB 1.281 43.017 42.059 -0.538 0.000 1.468 253 L HN 0.183 nan 8.230 nan 0.000 0.411 254 P HA 0.358 nan 4.420 nan 0.000 0.271 254 P C -1.048 176.175 177.300 -0.128 0.000 1.218 254 P CA -0.025 63.035 63.100 -0.066 0.000 0.780 254 P CB 0.480 32.195 31.700 0.025 0.000 0.901 255 L N 1.940 123.146 121.223 -0.028 0.000 2.319 255 L HA 0.614 4.954 4.340 0.001 0.000 0.267 255 L C 0.011 176.865 176.870 -0.028 0.000 1.011 255 L CA -0.763 54.029 54.840 -0.080 0.000 0.818 255 L CB 1.894 43.884 42.059 -0.114 0.000 1.316 255 L HN 0.309 nan 8.230 nan 0.000 0.432 256 Q N 1.942 121.668 119.800 -0.124 0.000 2.289 256 Q HA 0.539 4.880 4.340 0.001 0.000 0.270 256 Q C -1.696 174.149 176.000 -0.260 0.000 1.038 256 Q CA -0.349 55.294 55.803 -0.267 0.000 0.812 256 Q CB 2.569 30.969 28.738 -0.564 0.000 1.300 256 Q HN 0.782 nan 8.270 nan 0.000 0.427 257 S N 1.512 117.076 115.700 -0.226 0.000 2.588 257 S HA 0.884 5.354 4.470 0.001 0.000 0.275 257 S C 0.035 174.546 174.600 -0.148 0.000 1.130 257 S CA -0.157 57.946 58.200 -0.162 0.000 0.855 257 S CB 1.532 64.684 63.200 -0.080 0.000 1.116 257 S HN 0.704 nan 8.310 nan 0.000 0.472 258 G N 0.222 108.960 108.800 -0.102 0.000 2.494 258 G HA2 0.559 4.520 3.960 0.001 0.000 0.270 258 G HA3 0.559 4.520 3.960 0.001 0.000 0.270 258 G C -0.799 174.083 174.900 -0.030 0.000 1.423 258 G CA -0.646 44.420 45.100 -0.056 0.000 1.055 258 G HN 0.918 nan 8.290 nan 0.000 0.536 259 V N -0.412 119.498 119.914 -0.008 0.000 2.667 259 V HA 0.866 4.986 4.120 0.001 0.000 0.308 259 V C 0.770 176.864 176.094 -0.000 0.000 1.048 259 V CA 0.795 63.093 62.300 -0.004 0.000 0.928 259 V CB 0.791 32.615 31.823 0.002 0.000 1.004 259 V HN 1.705 nan 8.190 nan 0.000 0.444 260 G N 3.076 111.870 108.800 -0.009 0.000 2.361 260 G HA2 -0.076 3.884 3.960 0.001 0.000 0.331 260 G HA3 -0.076 3.884 3.960 0.001 0.000 0.331 260 G C -0.030 174.855 174.900 -0.024 0.000 1.324 260 G CA -0.057 45.034 45.100 -0.014 0.000 0.984 260 G HN 0.568 nan 8.290 nan 0.000 0.586 261 N N -0.948 117.731 118.700 -0.035 0.000 2.120 261 N HA -0.101 4.640 4.740 0.001 0.000 0.188 261 N C 2.379 177.871 175.510 -0.030 0.000 1.024 261 N CA 1.433 54.456 53.050 -0.045 0.000 0.852 261 N CB -0.003 38.447 38.487 -0.063 0.000 1.003 261 N HN 0.315 nan 8.380 nan 0.000 0.424 262 V N 1.592 121.493 119.914 -0.021 0.000 2.261 262 V HA -0.254 3.866 4.120 0.001 0.000 0.246 262 V C 2.449 178.538 176.094 -0.010 0.000 1.047 262 V CA 1.994 64.286 62.300 -0.013 0.000 1.015 262 V CB -1.000 30.821 31.823 -0.004 0.000 0.642 262 V HN 0.345 nan 8.190 nan 0.000 0.446 263 A N 0.380 123.194 122.820 -0.010 0.000 1.892 263 A HA -0.343 3.977 4.320 0.001 0.000 0.218 263 A C 2.044 179.628 177.584 0.002 0.000 1.188 263 A CA 2.633 54.665 52.037 -0.009 0.000 0.631 263 A CB -1.054 17.938 19.000 -0.014 0.000 0.822 263 A HN 0.720 nan 8.150 nan 0.000 0.447 264 N N -0.157 118.540 118.700 -0.004 0.000 2.104 264 N HA -0.094 4.647 4.740 0.001 0.000 0.190 264 N C 1.958 177.472 175.510 0.007 0.000 1.024 264 N CA 1.042 54.092 53.050 0.001 0.000 0.853 264 N CB -0.255 38.222 38.487 -0.015 0.000 1.008 264 N HN 0.534 nan 8.380 nan 0.000 0.424 265 A N 0.781 123.599 122.820 -0.002 0.000 1.898 265 A HA -0.067 4.253 4.320 0.001 0.000 0.216 265 A C 2.416 180.008 177.584 0.013 0.000 1.181 265 A CA 1.002 53.039 52.037 -0.000 0.000 0.620 265 A CB -0.689 18.304 19.000 -0.011 0.000 0.819 265 A HN 0.085 nan 8.150 nan 0.000 0.442 266 V N 0.200 120.122 119.914 0.013 0.000 2.261 266 V HA -0.279 3.841 4.120 0.001 0.000 0.246 266 V C 2.589 178.707 176.094 0.040 0.000 1.047 266 V CA 2.075 64.386 62.300 0.019 0.000 1.015 266 V CB -0.827 31.001 31.823 0.009 0.000 0.642 266 V HN 0.576 nan 8.190 nan 0.000 0.446 267 L N 0.301 121.560 121.223 0.060 0.000 2.042 267 L HA -0.132 4.209 4.340 0.001 0.000 0.210 267 L C 2.635 179.580 176.870 0.126 0.000 1.076 267 L CA 1.858 56.772 54.840 0.124 0.000 0.749 267 L CB -1.155 40.975 42.059 0.119 0.000 0.893 267 L HN 0.485 nan 8.230 nan 0.000 0.432 268 G N -0.658 108.187 108.800 0.074 0.000 2.418 268 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 268 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 268 G C 1.774 176.709 174.900 0.059 0.000 1.158 268 G CA 0.779 45.915 45.100 0.061 0.000 0.771 268 G HN 0.469 nan 8.290 nan 0.000 0.545 269 A N 0.673 123.520 122.820 0.044 0.000 1.908 269 A HA 0.044 4.364 4.320 0.001 0.000 0.218 269 A C 2.456 180.063 177.584 0.037 0.000 1.181 269 A CA 1.406 53.462 52.037 0.031 0.000 0.627 269 A CB -0.463 18.549 19.000 0.021 0.000 0.818 269 A HN 0.358 nan 8.150 nan 0.000 0.445 270 L N -0.704 120.550 121.223 0.050 0.000 2.012 270 L HA -0.159 4.181 4.340 0.001 0.000 0.210 270 L C 2.850 179.806 176.870 0.144 0.000 1.073 270 L CA 1.261 56.128 54.840 0.045 0.000 0.748 270 L CB -0.896 41.158 42.059 -0.007 0.000 0.891 270 L HN 0.490 nan 8.230 nan 0.000 0.431 271 G N -0.841 108.077 108.800 0.196 0.000 2.432 271 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 271 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 271 G C 1.077 176.028 174.900 0.087 0.000 1.135 271 G CA 0.854 46.053 45.100 0.166 0.000 0.767 271 G HN 0.294 nan 8.290 nan 0.000 0.550 272 D N -0.362 120.074 120.400 0.059 0.000 2.349 272 D HA 0.020 4.660 4.640 0.001 0.000 0.215 272 D C 0.546 176.857 176.300 0.018 0.000 1.016 272 D CA -0.021 53.998 54.000 0.032 0.000 0.870 272 D CB 0.067 40.882 40.800 0.024 0.000 0.917 272 D HN 0.130 nan 8.370 nan 0.000 0.524 273 N N 1.412 120.119 118.700 0.012 0.000 2.462 273 N HA 0.065 4.805 4.740 0.001 0.000 0.242 273 N C -1.774 173.722 175.510 -0.022 0.000 1.010 273 N CA -1.585 51.456 53.050 -0.014 0.000 0.939 273 N CB 1.884 40.349 38.487 -0.035 0.000 1.127 273 N HN -0.086 nan 8.380 nan 0.000 0.509 274 P HA -0.105 nan 4.420 nan 0.000 0.221 274 P C 0.230 177.504 177.300 -0.043 0.000 1.145 274 P CA 1.007 64.096 63.100 -0.019 0.000 0.795 274 P CB 0.544 32.236 31.700 -0.013 0.000 0.775 275 D N -0.585 119.776 120.400 -0.066 0.000 2.363 275 D HA 0.023 4.663 4.640 0.001 0.000 0.220 275 D C 0.752 176.950 176.300 -0.171 0.000 0.994 275 D CA 0.509 54.451 54.000 -0.097 0.000 0.890 275 D CB 0.144 40.889 40.800 -0.092 0.000 0.906 275 D HN 0.201 nan 8.370 nan 0.000 0.530 276 I N 3.831 124.290 120.570 -0.185 0.000 2.297 276 I HA 0.154 4.325 4.170 0.001 0.000 0.291 276 I C -1.987 174.036 176.117 -0.157 0.000 1.033 276 I CA -2.134 58.966 61.300 -0.333 0.000 1.253 276 I CB 0.952 38.770 38.000 -0.304 0.000 1.396 276 I HN -0.250 nan 8.210 nan 0.000 0.476 277 P HA 0.118 nan 4.420 nan 0.000 0.272 277 P C -0.340 177.077 177.300 0.195 0.000 1.223 277 P CA -0.451 62.660 63.100 0.018 0.000 0.784 277 P CB 0.867 32.579 31.700 0.020 0.000 0.923 278 A N 2.905 125.816 122.820 0.150 0.000 2.580 278 A HA 0.287 4.608 4.320 0.001 0.000 0.244 278 A C 0.194 177.927 177.584 0.249 0.000 1.045 278 A CA 0.359 52.471 52.037 0.126 0.000 0.761 278 A CB -1.228 17.795 19.000 0.039 0.000 0.962 278 A HN 0.520 nan 8.150 nan 0.000 0.512 279 F N 0.774 120.814 119.950 0.151 0.000 2.631 279 F HA 0.772 5.299 4.527 0.001 0.000 0.328 279 F C -0.247 175.640 175.800 0.145 0.000 1.067 279 F CA -1.454 56.666 58.000 0.200 0.000 0.969 279 F CB 1.251 40.470 39.000 0.364 0.000 1.332 279 F HN 0.520 nan 8.300 nan 0.000 0.490 283 T N -2.761 111.712 114.554 -0.135 0.000 2.893 283 T HA 0.471 4.821 4.350 0.001 0.000 0.281 283 T C 0.836 175.452 174.700 -0.141 0.000 1.027 283 T CA -0.199 61.782 62.100 -0.197 0.000 0.953 283 T CB 1.871 70.645 68.868 -0.156 0.000 1.434 283 T HN 0.395 nan 8.240 nan 0.000 0.597 284 E N -0.583 119.557 120.200 -0.100 0.000 2.083 284 E HA 0.245 4.595 4.350 0.001 0.000 0.193 284 E C 0.470 177.083 176.600 0.022 0.000 0.950 284 E CA 0.242 56.648 56.400 0.009 0.000 0.849 284 E CB 0.430 30.248 29.700 0.197 0.000 0.827 284 E HN 0.462 nan 8.360 nan 0.000 0.465 285 V N 0.986 120.944 119.914 0.073 0.000 2.540 285 V HA 0.438 4.558 4.120 0.001 0.000 0.302 285 V C -0.792 175.307 176.094 0.009 0.000 1.035 285 V CA -0.764 61.588 62.300 0.086 0.000 0.873 285 V CB 1.303 33.213 31.823 0.146 0.000 0.992 285 V HN 0.082 nan 8.190 nan 0.000 0.428 286 I N 7.669 128.234 120.570 -0.009 0.000 2.337 286 I HA 0.376 4.546 4.170 0.001 0.000 0.291 286 I C 0.512 176.618 176.117 -0.018 0.000 1.046 286 I CA -0.240 61.042 61.300 -0.031 0.000 1.324 286 I CB 1.127 39.090 38.000 -0.062 0.000 1.409 286 I HN 0.825 nan 8.210 nan 0.000 0.494 287 Q N 4.687 124.480 119.800 -0.013 0.000 2.286 287 Q HA 0.305 4.646 4.340 0.001 0.000 0.250 287 Q C -0.221 175.769 176.000 -0.015 0.000 1.021 287 Q CA -0.665 55.131 55.803 -0.013 0.000 0.930 287 Q CB 1.076 29.810 28.738 -0.007 0.000 1.266 287 Q HN 0.441 nan 8.270 nan 0.000 0.491 288 D N 1.039 121.427 120.400 -0.019 0.000 2.116 288 D HA -0.156 4.484 4.640 0.001 0.000 0.193 288 D C 1.801 178.102 176.300 0.002 0.000 0.998 288 D CA 2.406 56.395 54.000 -0.018 0.000 0.836 288 D CB -0.487 40.300 40.800 -0.022 0.000 0.951 288 D HN 0.691 nan 8.370 nan 0.000 0.449 289 A N 0.480 123.304 122.820 0.007 0.000 1.948 289 A HA -0.197 4.123 4.320 0.001 0.000 0.220 289 A C 2.527 180.134 177.584 0.038 0.000 1.177 289 A CA 1.575 53.625 52.037 0.023 0.000 0.636 289 A CB -0.759 18.256 19.000 0.025 0.000 0.815 289 A HN 0.186 nan 8.150 nan 0.000 0.449 290 V N 0.452 120.385 119.914 0.031 0.000 2.323 290 V HA -0.206 3.914 4.120 0.001 0.000 0.244 290 V C 2.428 178.543 176.094 0.035 0.000 1.041 290 V CA 1.600 63.918 62.300 0.030 0.000 1.025 290 V CB -0.596 31.234 31.823 0.011 0.000 0.656 290 V HN 0.524 nan 8.190 nan 0.000 0.451 291 I N 0.878 121.478 120.570 0.050 0.000 2.208 291 I HA -0.249 3.921 4.170 0.001 0.000 0.245 291 I C 2.741 178.945 176.117 0.144 0.000 1.097 291 I CA 2.015 63.389 61.300 0.123 0.000 1.363 291 I CB -1.733 36.305 38.000 0.064 0.000 1.051 291 I HN 0.314 nan 8.210 nan 0.000 0.413 292 A N 1.273 124.141 122.820 0.079 0.000 1.883 292 A HA -0.122 4.198 4.320 0.001 0.000 0.217 292 A C 1.729 179.347 177.584 0.056 0.000 1.186 292 A CA 0.903 52.978 52.037 0.064 0.000 0.624 292 A CB -0.844 18.178 19.000 0.037 0.000 0.822 292 A HN 0.307 nan 8.150 nan 0.000 0.444 296 K N 1.213 121.627 120.400 0.023 0.000 2.410 296 K HA 0.157 4.478 4.320 0.001 0.000 0.200 296 K C 0.830 177.439 176.600 0.015 0.000 1.023 296 K CA 0.645 56.934 56.287 0.004 0.000 1.149 296 K CB 0.892 33.394 32.500 0.004 0.000 0.859 296 K HN 0.379 nan 8.250 nan 0.000 0.514 297 G N 2.485 111.312 108.800 0.044 0.000 2.175 297 G HA2 -0.364 3.596 3.960 0.001 0.000 0.265 297 G HA3 -0.364 3.596 3.960 0.001 0.000 0.265 297 G C 1.016 175.898 174.900 -0.029 0.000 0.979 297 G CA 1.039 46.155 45.100 0.027 0.000 0.663 297 G HN 0.322 nan 8.290 nan 0.000 0.533 298 R N 0.315 120.784 120.500 -0.053 0.000 2.092 298 R HA 0.244 4.584 4.340 0.001 0.000 0.231 298 R C 1.145 177.246 176.300 -0.332 0.000 1.119 298 R CA 1.244 57.280 56.100 -0.108 0.000 0.970 298 R CB -0.130 30.137 30.300 -0.054 0.000 0.864 298 R HN 0.496 nan 8.270 nan 0.000 0.440 299 I N 1.355 121.717 120.570 -0.346 0.000 2.362 299 I HA 0.168 4.339 4.170 0.001 0.000 0.289 299 I C 0.543 176.531 176.117 -0.216 0.000 0.994 299 I CA -0.475 60.529 61.300 -0.493 0.000 1.158 299 I CB 2.090 39.831 38.000 -0.431 0.000 1.315 299 I HN 0.107 nan 8.210 nan 0.000 0.451 300 K N 4.729 125.043 120.400 -0.144 0.000 2.167 300 K HA 0.119 4.439 4.320 0.001 0.000 0.203 300 K C -0.228 176.413 176.600 0.069 0.000 1.052 300 K CA 1.113 57.383 56.287 -0.029 0.000 0.956 300 K CB 0.379 32.890 32.500 0.018 0.000 0.735 300 K HN 0.438 nan 8.250 nan 0.000 0.451 301 F N -1.020 118.870 119.950 -0.100 0.000 2.719 301 F HA 0.494 5.021 4.527 0.001 0.000 0.309 301 F C -2.136 173.646 175.800 -0.031 0.000 1.138 301 F CA -1.090 56.869 58.000 -0.067 0.000 0.943 301 F CB 1.317 40.295 39.000 -0.036 0.000 1.304 301 F HN -0.234 nan 8.300 nan 0.000 0.445 302 A N 3.000 125.213 122.820 -1.012 0.000 2.375 302 A HA 0.649 4.969 4.320 0.001 0.000 0.295 302 A C -1.460 175.703 177.584 -0.702 0.000 1.066 302 A CA -0.410 51.286 52.037 -0.569 0.000 0.722 302 A CB 1.416 20.219 19.000 -0.328 0.000 1.206 302 A HN 0.814 nan 8.150 nan 0.000 0.435 303 S N 1.576 117.137 115.700 -0.232 0.000 2.475 303 S HA 0.865 5.335 4.470 0.001 0.000 0.298 303 S C 0.276 174.731 174.600 -0.241 0.000 1.119 303 S CA 0.358 58.482 58.200 -0.128 0.000 1.085 303 S CB 1.136 64.413 63.200 0.129 0.000 1.028 303 S HN 1.920 nan 8.310 nan 0.000 0.489 304 G N 0.925 109.586 108.800 -0.231 0.000 2.634 304 G HA2 0.378 4.339 3.960 0.001 0.000 0.309 304 G HA3 0.378 4.339 3.960 0.001 0.000 0.309 304 G C -0.045 174.727 174.900 -0.213 0.000 1.299 304 G CA 0.016 44.984 45.100 -0.220 0.000 0.798 304 G HN 0.767 nan 8.290 nan 0.000 0.490 305 C N -0.030 119.119 119.300 -0.252 0.000 3.019 305 C HA 0.693 5.153 4.460 0.001 0.000 0.295 305 C C 0.941 175.838 174.990 -0.154 0.000 1.256 305 C CA 0.991 59.795 59.018 -0.357 0.000 1.706 305 C CB -1.169 25.995 27.740 -0.960 0.000 2.153 305 C HN 1.211 nan 8.230 nan 0.000 0.618 306 S N -0.012 115.676 115.700 -0.019 0.000 2.547 306 S HA 0.602 5.072 4.470 0.001 0.000 0.270 306 S C -1.395 173.235 174.600 0.050 0.000 1.150 306 S CA -0.530 57.729 58.200 0.098 0.000 0.850 306 S CB 1.295 64.663 63.200 0.280 0.000 1.118 306 S HN 0.198 nan 8.310 nan 0.000 0.461 307 L N 2.418 123.665 121.223 0.040 0.000 2.335 307 L HA 0.604 4.945 4.340 0.001 0.000 0.268 307 L C -0.498 176.380 176.870 0.014 0.000 1.037 307 L CA 0.074 54.914 54.840 0.000 0.000 0.895 307 L CB 0.856 42.902 42.059 -0.022 0.000 1.266 307 L HN 0.768 nan 8.230 nan 0.000 0.439 308 S N 4.274 119.985 115.700 0.018 0.000 3.170 308 S HA 0.493 4.963 4.470 0.001 0.000 0.257 308 S C -0.116 174.476 174.600 -0.013 0.000 1.284 308 S CA -0.474 57.735 58.200 0.015 0.000 0.973 308 S CB 0.014 63.230 63.200 0.027 0.000 1.330 308 S HN 0.496 nan 8.310 nan 0.000 0.493 309 V N 0.356 120.250 119.914 -0.034 0.000 3.019 309 V HA 0.825 4.945 4.120 0.001 0.000 0.317 309 V C 0.324 176.383 176.094 -0.058 0.000 1.094 309 V CA -1.223 61.042 62.300 -0.058 0.000 1.000 309 V CB 1.500 33.261 31.823 -0.103 0.000 1.060 309 V HN 0.586 nan 8.190 nan 0.000 0.443 310 S N 1.499 117.163 115.700 -0.059 0.000 2.600 310 S HA 0.267 4.738 4.470 0.001 0.000 0.265 310 S C 1.064 175.619 174.600 -0.075 0.000 1.325 310 S CA 0.320 58.489 58.200 -0.051 0.000 1.002 310 S CB 0.679 63.855 63.200 -0.040 0.000 0.921 310 S HN 1.042 nan 8.310 nan 0.000 0.554 311 R N 0.464 120.928 120.500 -0.060 0.000 2.091 311 R HA -0.129 4.212 4.340 0.001 0.000 0.238 311 R C 2.447 178.692 176.300 -0.093 0.000 1.136 311 R CA 1.790 57.845 56.100 -0.074 0.000 0.959 311 R CB -0.840 29.433 30.300 -0.046 0.000 0.856 311 R HN 0.774 nan 8.270 nan 0.000 0.437 312 S N -0.437 115.219 115.700 -0.072 0.000 2.368 312 S HA -0.088 4.382 4.470 0.001 0.000 0.225 312 S C 1.887 176.423 174.600 -0.106 0.000 1.030 312 S CA 1.465 59.623 58.200 -0.071 0.000 0.999 312 S CB -0.114 63.058 63.200 -0.047 0.000 0.844 312 S HN 0.255 nan 8.310 nan 0.000 0.459 313 V N 1.328 121.168 119.914 -0.124 0.000 2.379 313 V HA -0.042 4.078 4.120 0.001 0.000 0.245 313 V C 2.342 178.262 176.094 -0.289 0.000 1.044 313 V CA 1.592 63.789 62.300 -0.172 0.000 1.036 313 V CB -0.603 31.136 31.823 -0.139 0.000 0.664 313 V HN 0.525 nan 8.190 nan 0.000 0.453 314 I N 0.028 120.413 120.570 -0.308 0.000 2.394 314 I HA -0.230 3.940 4.170 0.001 0.000 0.251 314 I C 2.417 178.176 176.117 -0.596 0.000 1.136 314 I CA 1.667 62.656 61.300 -0.518 0.000 1.425 314 I CB -0.343 37.390 38.000 -0.446 0.000 1.079 314 I HN 0.358 nan 8.210 nan 0.000 0.425 315 Q N -0.545 119.067 119.800 -0.314 0.000 2.172 315 Q HA -0.218 4.122 4.340 0.001 0.000 0.200 315 Q C 1.791 177.712 176.000 -0.132 0.000 0.964 315 Q CA 1.623 57.325 55.803 -0.168 0.000 0.855 315 Q CB -0.228 28.459 28.738 -0.084 0.000 0.918 315 Q HN 0.534 nan 8.270 nan 0.000 0.444 316 D N 0.885 121.181 120.400 -0.173 0.000 2.144 316 D HA -0.118 4.522 4.640 0.001 0.000 0.200 316 D C 1.670 177.855 176.300 -0.193 0.000 0.978 316 D CA 0.918 54.843 54.000 -0.124 0.000 0.833 316 D CB -0.006 40.727 40.800 -0.111 0.000 0.961 316 D HN 0.166 nan 8.370 nan 0.000 0.470 317 I N -0.540 119.745 120.570 -0.476 0.000 2.163 317 I HA -0.278 3.892 4.170 0.001 0.000 0.240 317 I C 1.954 178.035 176.117 -0.060 0.000 1.081 317 I CA 0.981 61.886 61.300 -0.658 0.000 1.353 317 I CB -0.472 37.058 38.000 -0.783 0.000 1.054 317 I HN 0.137 nan 8.210 nan 0.000 0.407 318 Y N 0.431 120.666 120.300 -0.108 0.000 2.403 318 Y HA -0.182 4.368 4.550 0.001 0.000 0.291 318 Y C 2.494 178.402 175.900 0.013 0.000 1.143 318 Y CA 0.189 58.273 58.100 -0.027 0.000 1.257 318 Y CB -0.179 38.257 38.460 -0.041 0.000 0.984 318 Y HN 0.206 nan 8.280 nan 0.000 0.550 319 A N -0.539 122.380 122.820 0.164 0.000 2.218 319 A HA 0.027 4.348 4.320 0.001 0.000 0.209 319 A C 0.695 178.370 177.584 0.153 0.000 1.168 319 A CA 0.355 52.466 52.037 0.124 0.000 0.804 319 A CB -0.040 19.007 19.000 0.078 0.000 0.834 319 A HN 0.309 nan 8.150 nan 0.000 0.482 320 N N 0.117 118.956 118.700 0.231 0.000 2.646 320 N HA 0.164 4.904 4.740 0.001 0.000 0.303 320 N C -0.161 175.614 175.510 0.441 0.000 1.921 320 N CA -0.219 53.031 53.050 0.332 0.000 0.872 320 N CB 1.044 39.802 38.487 0.452 0.000 1.327 320 N HN 0.089 nan 8.380 nan 0.000 0.492 321 L N 1.332 122.733 121.223 0.297 0.000 2.353 321 L HA -0.125 4.215 4.340 0.001 0.000 0.220 321 L C 2.047 179.046 176.870 0.214 0.000 1.133 321 L CA 1.537 56.536 54.840 0.264 0.000 0.798 321 L CB -0.370 41.790 42.059 0.169 0.000 0.922 321 L HN 0.318 nan 8.230 nan 0.000 0.445 322 D N -1.660 118.858 120.400 0.197 0.000 2.182 322 D HA -0.295 4.345 4.640 0.001 0.000 0.201 322 D C 2.059 178.449 176.300 0.149 0.000 0.986 322 D CA 1.320 55.408 54.000 0.146 0.000 0.847 322 D CB -0.356 40.522 40.800 0.130 0.000 0.942 322 D HN 0.401 nan 8.370 nan 0.000 0.467 323 F N -0.099 119.847 119.950 -0.006 0.000 2.419 323 F HA 0.178 4.705 4.527 0.001 0.000 0.283 323 F C 1.787 177.424 175.800 -0.271 0.000 1.044 323 F CA 0.063 57.942 58.000 -0.202 0.000 1.376 323 F CB -0.003 38.757 39.000 -0.400 0.000 1.131 323 F HN -0.277 nan 8.300 nan 0.000 0.585 324 F N 0.751 120.719 119.950 0.030 0.000 2.335 324 F HA 0.101 4.628 4.527 0.001 0.000 0.296 324 F C 2.330 178.080 175.800 -0.083 0.000 1.091 324 F CA 0.894 58.846 58.000 -0.079 0.000 1.399 324 F CB -0.780 38.253 39.000 0.056 0.000 1.067 324 F HN -0.186 nan 8.300 nan 0.000 0.520 325 K N 0.803 121.295 120.400 0.153 0.000 2.077 325 K HA -0.242 4.078 4.320 0.001 0.000 0.213 325 K C 1.299 177.927 176.600 0.047 0.000 1.051 325 K CA 2.121 58.461 56.287 0.089 0.000 0.929 325 K CB -0.328 32.222 32.500 0.084 0.000 0.715 325 K HN 0.362 nan 8.250 nan 0.000 0.451 326 D N -1.051 119.358 120.400 0.015 0.000 2.328 326 D HA -0.044 4.597 4.640 0.001 0.000 0.221 326 D C 0.603 176.971 176.300 0.114 0.000 1.072 326 D CA 0.366 54.395 54.000 0.048 0.000 0.850 326 D CB 0.387 41.189 40.800 0.003 0.000 0.922 326 D HN 0.249 nan 8.370 nan 0.000 0.516 327 K N -0.084 120.322 120.400 0.011 0.000 2.412 327 K HA 0.313 4.633 4.320 0.001 0.000 0.202 327 K C 0.401 176.749 176.600 -0.419 0.000 1.102 327 K CA 0.010 56.275 56.287 -0.038 0.000 1.027 327 K CB 1.626 33.967 32.500 -0.266 0.000 0.931 327 K HN 0.079 nan 8.250 nan 0.000 0.557 328 I N 1.687 122.087 120.570 -0.282 0.000 2.509 328 I HA 0.323 4.493 4.170 0.001 0.000 0.293 328 I C -1.412 174.552 176.117 -0.255 0.000 1.020 328 I CA -1.235 59.832 61.300 -0.389 0.000 1.088 328 I CB 2.016 39.920 38.000 -0.161 0.000 1.267 328 I HN -0.156 nan 8.210 nan 0.000 0.430 329 L N 7.291 128.340 121.223 -0.289 0.000 2.476 329 L HA 0.542 4.882 4.340 0.001 0.000 0.269 329 L C -1.413 175.405 176.870 -0.087 0.000 0.965 329 L CA -0.146 54.662 54.840 -0.052 0.000 0.845 329 L CB 1.700 43.911 42.059 0.254 0.000 1.259 329 L HN 0.422 nan 8.230 nan 0.000 0.403 330 L N 5.325 126.496 121.223 -0.086 0.000 2.295 330 L HA 0.649 4.989 4.340 0.001 0.000 0.285 330 L C -0.094 176.769 176.870 -0.011 0.000 1.035 330 L CA -0.639 54.167 54.840 -0.056 0.000 0.806 330 L CB 1.451 43.500 42.059 -0.017 0.000 1.214 330 L HN 0.630 nan 8.230 nan 0.000 0.426 331 R N 2.628 123.097 120.500 -0.051 0.000 2.888 331 R HA 0.578 4.919 4.340 0.001 0.000 0.266 331 R C -2.671 173.602 176.300 -0.046 0.000 1.020 331 R CA -2.045 54.031 56.100 -0.041 0.000 0.963 331 R CB 1.341 31.624 30.300 -0.028 0.000 1.197 331 R HN 0.284 nan 8.270 nan 0.000 0.481 332 P HA -0.028 nan 4.420 nan 0.000 0.274 332 P C -0.070 177.220 177.300 -0.016 0.000 1.231 332 P CA -0.260 62.854 63.100 0.023 0.000 0.790 332 P CB 0.633 32.405 31.700 0.120 0.000 0.951 333 Q N 1.695 121.426 119.800 -0.116 0.000 2.364 333 Q HA -0.253 4.087 4.340 0.001 0.000 0.209 333 Q C 1.557 177.513 176.000 -0.073 0.000 0.977 333 Q CA 1.549 57.252 55.803 -0.167 0.000 0.885 333 Q CB -0.591 28.053 28.738 -0.157 0.000 0.941 333 Q HN 0.547 nan 8.270 nan 0.000 0.464 334 E N 0.067 120.245 120.200 -0.037 0.000 2.204 334 E HA -0.194 4.157 4.350 0.001 0.000 0.195 334 E C 0.776 177.211 176.600 -0.274 0.000 0.990 334 E CA 1.137 57.449 56.400 -0.147 0.000 0.821 334 E CB 0.013 29.613 29.700 -0.167 0.000 0.750 334 E HN 0.585 nan 8.360 nan 0.000 0.477 335 Y N -0.328 119.939 120.300 -0.055 0.000 2.464 335 Y HA 0.046 4.596 4.550 0.001 0.000 0.288 335 Y C 2.757 178.663 175.900 0.010 0.000 1.133 335 Y CA 0.772 58.864 58.100 -0.013 0.000 1.223 335 Y CB -0.127 38.331 38.460 -0.003 0.000 1.187 335 Y HN 0.138 nan 8.280 nan 0.000 0.539 336 S N 0.225 115.961 115.700 0.060 0.000 2.419 336 S HA -0.159 4.312 4.470 0.001 0.000 0.233 336 S C 0.974 175.561 174.600 -0.022 0.000 1.016 336 S CA 1.752 59.882 58.200 -0.116 0.000 0.974 336 S CB -0.435 62.636 63.200 -0.216 0.000 0.786 336 S HN 0.376 nan 8.310 nan 0.000 0.492 337 N N 1.467 120.111 118.700 -0.093 0.000 2.234 337 N HA 0.245 4.985 4.740 0.001 0.000 0.227 337 N C -0.626 174.692 175.510 -0.321 0.000 1.151 337 N CA -0.213 52.622 53.050 -0.357 0.000 0.865 337 N CB -0.055 38.272 38.487 -0.266 0.000 1.066 337 N HN 0.386 nan 8.380 nan 0.000 0.515 338 N N 1.793 120.409 118.700 -0.140 0.000 2.468 338 N HA 0.050 4.790 4.740 0.001 0.000 0.265 338 N C -1.676 173.753 175.510 -0.134 0.000 1.199 338 N CA -1.130 51.835 53.050 -0.142 0.000 0.928 338 N CB 1.509 39.918 38.487 -0.131 0.000 1.059 338 N HN -0.034 nan 8.380 nan 0.000 0.467 339 P HA -0.163 nan 4.420 nan 0.000 0.216 339 P C 1.035 178.292 177.300 -0.071 0.000 1.153 339 P CA 1.209 64.244 63.100 -0.107 0.000 0.858 339 P CB 0.284 31.928 31.700 -0.092 0.000 0.789 340 E N -0.489 119.668 120.200 -0.071 0.000 2.058 340 E HA -0.193 4.157 4.350 0.001 0.000 0.194 340 E C 1.751 178.310 176.600 -0.068 0.000 0.997 340 E CA 1.327 57.692 56.400 -0.059 0.000 0.801 340 E CB -0.303 29.359 29.700 -0.064 0.000 0.746 340 E HN -0.004 nan 8.360 nan 0.000 0.450 341 I N 0.867 121.389 120.570 -0.080 0.000 2.202 341 I HA -0.192 3.978 4.170 0.001 0.000 0.242 341 I C 2.589 178.616 176.117 -0.150 0.000 1.091 341 I CA 0.686 61.908 61.300 -0.129 0.000 1.368 341 I CB -1.477 36.473 38.000 -0.084 0.000 1.058 341 I HN 0.081 nan 8.210 nan 0.000 0.410 342 V N 1.264 121.141 119.914 -0.062 0.000 2.252 342 V HA -0.304 3.816 4.120 0.001 0.000 0.249 342 V C 2.830 178.930 176.094 0.010 0.000 1.056 342 V CA 2.349 64.654 62.300 0.008 0.000 1.022 342 V CB -0.847 30.994 31.823 0.030 0.000 0.641 342 V HN 0.372 nan 8.190 nan 0.000 0.445 343 R N -0.178 120.323 120.500 0.001 0.000 2.075 343 R HA -0.148 4.192 4.340 0.001 0.000 0.232 343 R C 2.543 178.859 176.300 0.025 0.000 1.126 343 R CA 1.612 57.726 56.100 0.023 0.000 0.963 343 R CB -0.295 30.010 30.300 0.009 0.000 0.858 343 R HN 0.452 nan 8.270 nan 0.000 0.435 344 R N 0.483 120.978 120.500 -0.008 0.000 2.073 344 R HA -0.094 4.247 4.340 0.001 0.000 0.234 344 R C 1.999 178.301 176.300 0.004 0.000 1.134 344 R CA 1.637 57.739 56.100 0.003 0.000 0.952 344 R CB -0.286 30.003 30.300 -0.019 0.000 0.850 344 R HN 0.290 nan 8.270 nan 0.000 0.433 345 L N -0.102 121.086 121.223 -0.059 0.000 2.376 345 L HA 0.120 4.461 4.340 0.001 0.000 0.219 345 L C 1.108 177.962 176.870 -0.026 0.000 1.133 345 L CA 0.647 55.440 54.840 -0.079 0.000 0.816 345 L CB -0.302 41.630 42.059 -0.212 0.000 0.933 345 L HN 0.626 nan 8.230 nan 0.000 0.449 346 G N 0.988 109.821 108.800 0.055 0.000 2.272 346 G HA2 -0.236 3.725 3.960 0.001 0.000 0.280 346 G HA3 -0.236 3.725 3.960 0.001 0.000 0.280 346 G C 0.103 175.028 174.900 0.042 0.000 1.067 346 G CA 0.008 45.212 45.100 0.173 0.000 0.902 346 G HN 0.098 nan 8.290 nan 0.000 0.500 347 V N 0.918 120.863 119.914 0.052 0.000 2.540 347 V HA 0.184 4.304 4.120 0.001 0.000 0.297 347 V C 1.370 177.497 176.094 0.055 0.000 1.024 347 V CA 0.240 62.568 62.300 0.047 0.000 1.105 347 V CB 0.899 32.827 31.823 0.176 0.000 0.938 347 V HN 0.384 nan 8.190 nan 0.000 0.482 348 I N 5.338 125.873 120.570 -0.059 0.000 2.352 348 I HA 0.269 4.440 4.170 0.001 0.000 0.290 348 I C 0.675 176.760 176.117 -0.052 0.000 1.036 348 I CA 0.038 61.307 61.300 -0.051 0.000 1.336 348 I CB 1.349 39.240 38.000 -0.181 0.000 1.407 348 I HN 0.765 nan 8.210 nan 0.000 0.497 349 T N 4.957 119.498 114.554 -0.023 0.000 2.824 349 T HA 0.751 5.101 4.350 0.001 0.000 0.280 349 T C -0.504 174.094 174.700 -0.171 0.000 0.995 349 T CA -0.665 61.375 62.100 -0.101 0.000 1.009 349 T CB 1.406 70.257 68.868 -0.029 0.000 0.955 349 T HN 0.341 nan 8.240 nan 0.000 0.452 350 I N 3.273 123.711 120.570 -0.219 0.000 2.468 350 I HA 0.441 4.611 4.170 0.001 0.000 0.284 350 I C -0.362 175.593 176.117 -0.269 0.000 1.038 350 I CA -0.819 60.345 61.300 -0.226 0.000 1.083 350 I CB 1.446 39.373 38.000 -0.121 0.000 1.223 350 I HN 0.626 nan 8.210 nan 0.000 0.443 351 N N 2.823 121.277 118.700 -0.410 0.000 2.405 351 N HA 0.513 5.253 4.740 0.001 0.000 0.285 351 N C -0.585 174.884 175.510 -0.069 0.000 1.262 351 N CA -0.515 52.367 53.050 -0.279 0.000 0.773 351 N CB 2.646 40.908 38.487 -0.376 0.000 1.490 351 N HN 0.602 nan 8.380 nan 0.000 0.486 352 T N -1.926 112.688 114.554 0.100 0.000 2.902 352 T HA 0.768 5.119 4.350 0.001 0.000 0.280 352 T C -0.276 174.600 174.700 0.293 0.000 0.992 352 T CA -0.673 61.531 62.100 0.172 0.000 1.015 352 T CB 1.358 70.286 68.868 0.100 0.000 1.044 352 T HN 0.511 nan 8.240 nan 0.000 0.520 353 A N 1.866 124.789 122.820 0.171 0.000 2.374 353 A HA 0.640 4.960 4.320 0.001 0.000 0.305 353 A C 1.023 178.607 177.584 0.001 0.000 1.053 353 A CA -0.964 51.115 52.037 0.070 0.000 0.726 353 A CB 0.955 19.932 19.000 -0.039 0.000 1.229 353 A HN 0.909 nan 8.150 nan 0.000 0.431 354 L N 0.596 121.827 121.223 0.013 0.000 2.056 354 L HA 0.020 4.361 4.340 0.001 0.000 0.207 354 L C 1.164 177.994 176.870 -0.065 0.000 1.078 354 L CA 1.785 56.623 54.840 -0.003 0.000 0.749 354 L CB -0.101 41.977 42.059 0.031 0.000 0.901 354 L HN 0.943 nan 8.230 nan 0.000 0.433 355 E N -1.360 118.783 120.200 -0.096 0.000 2.423 355 E HA 0.680 5.031 4.350 0.001 0.000 0.280 355 E C -1.523 174.943 176.600 -0.224 0.000 1.030 355 E CA -0.887 55.405 56.400 -0.180 0.000 0.812 355 E CB 2.172 31.831 29.700 -0.069 0.000 1.313 355 E HN -0.068 nan 8.360 nan 0.000 0.456 356 A N 1.276 123.904 122.820 -0.320 0.000 2.539 356 A HA 0.661 4.981 4.320 0.001 0.000 0.296 356 A C -1.703 175.821 177.584 -0.100 0.000 1.073 356 A CA -0.506 51.397 52.037 -0.223 0.000 0.700 356 A CB 1.634 20.497 19.000 -0.228 0.000 1.296 356 A HN 0.793 nan 8.150 nan 0.000 0.405 357 D N -0.570 119.803 120.400 -0.045 0.000 2.392 357 D HA 0.423 5.064 4.640 0.001 0.000 0.246 357 D C 1.030 177.287 176.300 -0.073 0.000 1.013 357 D CA -0.407 53.565 54.000 -0.048 0.000 0.993 357 D CB 0.420 41.195 40.800 -0.041 0.000 1.219 357 D HN 0.613 nan 8.370 nan 0.000 0.538 358 I N -3.100 117.302 120.570 -0.280 0.000 3.164 358 I HA -0.017 4.153 4.170 0.001 0.000 0.278 358 I C 0.249 175.968 176.117 -0.663 0.000 1.320 358 I CA 0.798 61.799 61.300 -0.498 0.000 1.422 358 I CB -0.720 36.861 38.000 -0.699 0.000 1.066 358 I HN 0.129 nan 8.210 nan 0.000 0.503 359 F N 1.649 121.588 119.950 -0.020 0.000 2.653 359 F HA 0.471 4.999 4.527 0.001 0.000 0.304 359 F C 1.763 177.550 175.800 -0.021 0.000 1.092 359 F CA 0.294 58.281 58.000 -0.021 0.000 1.279 359 F CB 0.786 39.774 39.000 -0.020 0.000 1.044 359 F HN 0.237 nan 8.300 nan 0.000 0.564 360 G N 0.493 109.337 108.800 0.074 0.000 2.141 360 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 360 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 360 G C -0.143 174.768 174.900 0.018 0.000 0.982 360 G CA -0.517 44.614 45.100 0.052 0.000 0.662 360 G HN 0.305 nan 8.290 nan 0.000 0.527 361 N N -0.075 118.632 118.700 0.011 0.000 2.518 361 N HA 0.604 5.344 4.740 0.001 0.000 0.283 361 N C -0.531 174.888 175.510 -0.152 0.000 1.119 361 N CA 0.060 53.083 53.050 -0.045 0.000 0.983 361 N CB 1.529 39.992 38.487 -0.039 0.000 1.139 361 N HN 0.125 nan 8.380 nan 0.000 0.465 362 I N 1.703 122.163 120.570 -0.184 0.000 2.509 362 I HA 0.192 4.362 4.170 0.001 0.000 0.293 362 I C 0.005 176.062 176.117 -0.101 0.000 1.020 362 I CA -0.675 60.479 61.300 -0.244 0.000 1.088 362 I CB 1.517 39.135 38.000 -0.636 0.000 1.267 362 I HN 0.391 nan 8.210 nan 0.000 0.430 363 N N 3.033 121.691 118.700 -0.071 0.000 2.417 363 N HA 0.382 5.122 4.740 0.001 0.000 0.274 363 N C -0.431 175.145 175.510 0.109 0.000 0.987 363 N CA -0.385 52.695 53.050 0.049 0.000 0.912 363 N CB 1.297 39.812 38.487 0.047 0.000 1.177 363 N HN 0.516 nan 8.380 nan 0.000 0.490 364 S N 0.654 116.484 115.700 0.216 0.000 2.855 364 S HA 0.143 4.614 4.470 0.001 0.000 0.249 364 S C 0.702 175.436 174.600 0.223 0.000 1.033 364 S CA 0.119 58.458 58.200 0.231 0.000 1.038 364 S CB -0.232 63.179 63.200 0.353 0.000 0.960 364 S HN 0.674 nan 8.310 nan 0.000 0.548 365 T N -2.349 112.342 114.554 0.228 0.000 3.236 365 T HA 0.282 4.633 4.350 0.001 0.000 0.265 365 T C -0.298 174.395 174.700 -0.011 0.000 0.912 365 T CA 0.083 62.274 62.100 0.151 0.000 0.946 365 T CB -0.128 68.893 68.868 0.255 0.000 1.241 365 T HN 0.342 nan 8.240 nan 0.000 0.513 366 H N 1.329 120.331 119.070 -0.114 0.000 2.504 366 H HA 0.699 5.255 4.556 0.001 0.000 0.322 366 H C -0.575 174.704 175.328 -0.081 0.000 1.055 366 H CA -0.721 55.220 56.048 -0.178 0.000 1.231 366 H CB 1.422 30.949 29.762 -0.392 0.000 1.417 366 H HN 0.099 nan 8.280 nan 0.000 0.472 367 V N 3.140 123.048 119.914 -0.011 0.000 2.508 367 V HA 0.023 4.143 4.120 0.001 0.000 0.281 367 V C 0.760 176.856 176.094 0.004 0.000 1.041 367 V CA 0.163 62.464 62.300 0.002 0.000 1.016 367 V CB 0.957 32.766 31.823 -0.024 0.000 0.984 367 V HN 1.122 nan 8.190 nan 0.000 0.478 368 S N 3.889 119.599 115.700 0.017 0.000 3.445 368 S HA -0.253 4.218 4.470 0.001 0.000 0.319 368 S C 1.490 175.998 174.600 -0.153 0.000 1.209 368 S CA 1.463 59.636 58.200 -0.045 0.000 0.934 368 S CB -1.420 61.775 63.200 -0.008 0.000 0.999 368 S HN 2.143 nan 8.310 nan 0.000 0.582 369 G N -0.736 108.012 108.800 -0.087 0.000 2.184 369 G HA2 -0.399 3.561 3.960 0.001 0.000 0.264 369 G HA3 -0.399 3.561 3.960 0.001 0.000 0.264 369 G C 0.697 175.589 174.900 -0.013 0.000 0.975 369 G CA 1.635 46.689 45.100 -0.077 0.000 0.642 369 G HN 1.538 nan 8.290 nan 0.000 0.536 370 T N -3.748 110.829 114.554 0.038 0.000 3.115 370 T HA 0.416 4.767 4.350 0.001 0.000 0.256 370 T C 1.281 176.021 174.700 0.066 0.000 0.970 370 T CA 0.515 62.663 62.100 0.080 0.000 1.010 370 T CB 0.597 69.467 68.868 0.003 0.000 1.151 370 T HN 0.444 nan 8.240 nan 0.000 0.479 375 G N 0.481 109.185 108.800 -0.159 0.000 2.340 375 G HA2 0.232 4.192 3.960 0.001 0.000 0.300 375 G HA3 0.232 4.192 3.960 0.001 0.000 0.300 375 G C -0.285 174.838 174.900 0.371 0.000 1.488 375 G CA -0.673 44.511 45.100 0.139 0.000 0.878 375 G HN 0.218 nan 8.290 nan 0.000 0.618 376 I N 0.709 121.470 120.570 0.319 0.000 2.423 376 I HA 0.124 4.294 4.170 0.001 0.000 0.254 376 I C 1.903 178.260 176.117 0.401 0.000 1.151 376 I CA 2.576 64.072 61.300 0.327 0.000 1.421 376 I CB -0.276 37.840 38.000 0.193 0.000 1.079 376 I HN 1.750 nan 8.210 nan 0.000 0.431 377 G N 0.091 109.155 108.800 0.440 0.000 2.574 377 G HA2 -0.365 3.595 3.960 0.001 0.000 0.286 377 G HA3 -0.365 3.595 3.960 0.001 0.000 0.286 377 G C 0.679 175.749 174.900 0.284 0.000 1.212 377 G CA 0.026 45.282 45.100 0.260 0.000 0.979 377 G HN 0.596 nan 8.290 nan 0.000 0.557 378 G N -0.333 108.640 108.800 0.289 0.000 3.233 378 G HA2 0.447 4.408 3.960 0.001 0.000 0.234 378 G HA3 0.447 4.408 3.960 0.001 0.000 0.234 378 G C 1.741 176.943 174.900 0.503 0.000 1.137 378 G CA 1.362 46.691 45.100 0.382 0.000 0.763 378 G HN 1.791 nan 8.290 nan 0.000 0.549 379 S N -0.017 115.960 115.700 0.462 0.000 2.419 379 S HA -0.018 4.452 4.470 0.001 0.000 0.233 379 S C 2.326 177.265 174.600 0.565 0.000 1.016 379 S CA 1.452 59.935 58.200 0.471 0.000 0.974 379 S CB -0.352 63.144 63.200 0.493 0.000 0.786 379 S HN 0.295 nan 8.310 nan 0.000 0.492 380 G N 1.725 110.890 108.800 0.608 0.000 2.395 380 G HA2 -0.093 3.867 3.960 0.001 0.000 0.214 380 G HA3 -0.093 3.867 3.960 0.001 0.000 0.214 380 G C 1.187 176.182 174.900 0.158 0.000 1.177 380 G CA 0.757 46.137 45.100 0.466 0.000 0.794 380 G HN 0.474 nan 8.290 nan 0.000 0.532 381 D N 0.520 120.960 120.400 0.066 0.000 2.133 381 D HA -0.107 4.533 4.640 0.001 0.000 0.195 381 D C 2.133 178.325 176.300 -0.181 0.000 0.997 381 D CA 0.919 54.824 54.000 -0.158 0.000 0.840 381 D CB -0.195 40.435 40.800 -0.284 0.000 0.947 381 D HN 0.322 nan 8.370 nan 0.000 0.452 382 F N 1.276 121.280 119.950 0.090 0.000 2.059 382 F HA -0.088 4.440 4.527 0.001 0.000 0.289 382 F C 2.814 178.649 175.800 0.058 0.000 1.128 382 F CA 0.903 58.943 58.000 0.066 0.000 1.181 382 F CB -1.166 37.861 39.000 0.045 0.000 1.012 382 F HN -0.161 nan 8.300 nan 0.000 0.473 383 T N 0.297 115.012 114.554 0.269 0.000 2.624 383 T HA -0.354 3.996 4.350 0.001 0.000 0.266 383 T C 2.016 176.832 174.700 0.194 0.000 1.050 383 T CA 2.259 64.469 62.100 0.183 0.000 1.163 383 T CB -0.454 68.570 68.868 0.259 0.000 0.861 383 T HN -0.003 nan 8.240 nan 0.000 0.443 384 R N 1.807 122.424 120.500 0.195 0.000 2.103 384 R HA -0.053 4.287 4.340 0.001 0.000 0.242 384 R C 1.474 177.828 176.300 0.090 0.000 1.142 384 R CA 2.048 58.231 56.100 0.137 0.000 0.960 384 R CB -0.625 29.723 30.300 0.081 0.000 0.858 384 R HN 0.547 nan 8.270 nan 0.000 0.439 385 N N -0.507 118.236 118.700 0.072 0.000 2.205 385 N HA 0.055 4.795 4.740 0.001 0.000 0.201 385 N C -0.551 175.010 175.510 0.084 0.000 1.128 385 N CA 0.320 53.402 53.050 0.053 0.000 0.867 385 N CB 0.627 39.119 38.487 0.009 0.000 0.996 385 N HN 0.233 nan 8.380 nan 0.000 0.503 386 S N -0.598 115.176 115.700 0.124 0.000 2.584 386 S HA -0.030 4.441 4.470 0.001 0.000 0.270 386 S C 0.968 175.656 174.600 0.148 0.000 1.346 386 S CA -0.575 57.715 58.200 0.151 0.000 1.018 386 S CB 0.614 63.903 63.200 0.149 0.000 0.899 386 S HN 0.262 nan 8.310 nan 0.000 0.542 387 Y N 2.304 122.624 120.300 0.033 0.000 2.128 387 Y HA 0.059 4.609 4.550 0.001 0.000 0.284 387 Y C 0.507 176.434 175.900 0.045 0.000 1.154 387 Y CA 1.642 59.757 58.100 0.024 0.000 1.149 387 Y CB 0.118 38.575 38.460 -0.004 0.000 0.976 387 Y HN 0.515 nan 8.280 nan 0.000 0.505 388 V N 0.522 120.588 119.914 0.254 0.000 2.711 388 V HA 0.259 4.379 4.120 0.001 0.000 0.304 388 V C -0.807 175.374 176.094 0.145 0.000 1.097 388 V CA -0.716 61.701 62.300 0.195 0.000 0.906 388 V CB 1.526 33.509 31.823 0.266 0.000 1.015 388 V HN 0.167 nan 8.190 nan 0.000 0.427 389 S N 5.262 121.032 115.700 0.117 0.000 2.480 389 S HA 0.859 5.329 4.470 0.001 0.000 0.286 389 S C -0.703 173.907 174.600 0.018 0.000 1.180 389 S CA -0.557 57.669 58.200 0.043 0.000 1.075 389 S CB 1.134 64.383 63.200 0.081 0.000 0.996 389 S HN 0.553 nan 8.310 nan 0.000 0.487 390 I N 2.462 122.955 120.570 -0.128 0.000 2.569 390 I HA 0.522 4.692 4.170 0.001 0.000 0.296 390 I C -1.230 174.683 176.117 -0.341 0.000 1.028 390 I CA -0.784 60.452 61.300 -0.107 0.000 1.082 390 I CB 1.745 39.724 38.000 -0.036 0.000 1.264 390 I HN 0.565 nan 8.210 nan 0.000 0.429 391 F N 2.719 122.664 119.950 -0.009 0.000 2.518 391 F HA 0.486 5.013 4.527 0.001 0.000 0.323 391 F C 0.403 176.204 175.800 0.002 0.000 1.129 391 F CA -0.518 57.473 58.000 -0.015 0.000 0.920 391 F CB 2.320 41.308 39.000 -0.021 0.000 1.160 391 F HN 0.383 nan 8.300 nan 0.000 0.440 392 T N -0.759 113.888 114.554 0.155 0.000 2.940 392 T HA 0.828 5.178 4.350 0.001 0.000 0.288 392 T C -0.495 174.265 174.700 0.099 0.000 1.033 392 T CA -0.802 61.360 62.100 0.104 0.000 1.033 392 T CB 2.003 70.898 68.868 0.045 0.000 1.079 392 T HN 0.727 nan 8.240 nan 0.000 0.496 393 T N 2.004 116.604 114.554 0.077 0.000 3.610 393 T HA 0.380 4.731 4.350 0.001 0.000 0.419 393 T C -3.267 171.467 174.700 0.056 0.000 1.582 393 T CA -0.950 61.169 62.100 0.031 0.000 1.146 393 T CB 1.413 70.245 68.868 -0.059 0.000 1.460 393 T HN 0.615 nan 8.240 nan 0.000 0.465 394 P HA 0.149 nan 4.420 nan 0.000 0.269 394 P C 1.085 178.463 177.300 0.130 0.000 1.209 394 P CA -0.016 63.117 63.100 0.055 0.000 0.776 394 P CB 0.849 32.564 31.700 0.026 0.000 0.876 395 S N 1.979 117.834 115.700 0.258 0.000 2.399 395 S HA -0.035 4.435 4.470 0.001 0.000 0.231 395 S C 1.075 175.871 174.600 0.327 0.000 1.022 395 S CA 1.303 59.793 58.200 0.482 0.000 0.983 395 S CB -0.970 62.668 63.200 0.730 0.000 0.803 395 S HN 0.518 nan 8.310 nan 0.000 0.480 399 D N 0.809 121.224 120.400 0.024 0.000 2.792 399 D HA -0.227 4.414 4.640 0.001 0.000 0.231 399 D C 0.890 177.203 176.300 0.022 0.000 1.160 399 D CA 2.155 56.171 54.000 0.027 0.000 0.697 399 D CB -0.789 40.023 40.800 0.020 0.000 1.070 399 D HN 0.855 nan 8.370 nan 0.000 0.426 400 G N -0.359 108.456 108.800 0.025 0.000 2.195 400 G HA2 -0.409 3.552 3.960 0.001 0.000 0.246 400 G HA3 -0.409 3.552 3.960 0.001 0.000 0.246 400 G C 1.060 175.999 174.900 0.065 0.000 0.984 400 G CA 0.701 45.806 45.100 0.009 0.000 0.633 400 G HN 0.478 nan 8.290 nan 0.000 0.525 401 K N -0.340 120.084 120.400 0.040 0.000 2.365 401 K HA 0.267 4.588 4.320 0.001 0.000 0.199 401 K C 0.875 177.506 176.600 0.053 0.000 1.045 401 K CA 0.683 56.995 56.287 0.042 0.000 0.962 401 K CB 0.265 32.769 32.500 0.006 0.000 0.759 401 K HN 0.493 nan 8.250 nan 0.000 0.469 402 I N 0.360 120.942 120.570 0.021 0.000 2.465 402 I HA 0.070 4.240 4.170 0.001 0.000 0.291 402 I C -0.442 175.576 176.117 -0.165 0.000 1.014 402 I CA -0.720 60.540 61.300 -0.067 0.000 1.093 402 I CB 2.079 40.050 38.000 -0.048 0.000 1.267 402 I HN -0.146 nan 8.210 nan 0.000 0.431 403 S N 3.083 118.535 115.700 -0.413 0.000 2.480 403 S HA 0.255 4.725 4.470 0.001 0.000 0.286 403 S C 0.910 175.369 174.600 -0.235 0.000 1.180 403 S CA -0.483 57.388 58.200 -0.548 0.000 1.075 403 S CB 1.344 63.837 63.200 -1.179 0.000 0.996 403 S HN 0.630 nan 8.310 nan 0.000 0.487 404 S N 3.650 119.258 115.700 -0.154 0.000 2.481 404 S HA 0.171 4.641 4.470 0.001 0.000 0.231 404 S C -0.249 174.044 174.600 -0.513 0.000 0.996 404 S CA 0.570 58.592 58.200 -0.298 0.000 0.942 404 S CB -0.254 62.734 63.200 -0.353 0.000 0.768 404 S HN 0.686 nan 8.310 nan 0.000 0.520 405 F N 1.447 121.343 119.950 -0.090 0.000 2.444 405 F HA 0.561 5.088 4.527 0.000 0.000 0.342 405 F C 0.107 175.795 175.800 -0.187 0.000 1.121 405 F CA -1.057 56.878 58.000 -0.108 0.000 0.997 405 F CB 1.404 40.364 39.000 -0.067 0.000 1.130 405 F HN -0.165 nan 8.300 nan 0.000 0.454 406 V N 1.139 120.980 119.914 -0.121 0.000 3.141 406 V HA 0.745 4.865 4.120 0.001 0.000 0.312 406 V C -2.875 172.955 176.094 -0.441 0.000 1.157 406 V CA -3.060 59.009 62.300 -0.386 0.000 1.041 406 V CB 1.890 33.578 31.823 -0.225 0.000 1.071 406 V HN 0.384 nan 8.190 nan 0.000 0.441 410 A N 1.924 124.751 122.820 0.010 0.000 2.216 410 A HA 0.196 4.517 4.320 0.001 0.000 0.214 410 A C 0.711 178.289 177.584 -0.011 0.000 1.160 410 A CA 2.040 53.917 52.037 -0.266 0.000 0.725 410 A CB -0.630 17.963 19.000 -0.678 0.000 0.784 410 A HN 1.944 nan 8.150 nan 0.000 0.472 411 H N -0.958 118.087 119.070 -0.043 0.000 3.128 411 H HA 0.337 4.893 4.556 0.001 0.000 0.336 411 H C -1.208 174.120 175.328 -0.000 0.000 1.026 411 H CA -0.670 55.365 56.048 -0.021 0.000 1.376 411 H CB 0.441 30.140 29.762 -0.105 0.000 1.882 411 H HN 0.349 nan 8.280 nan 0.000 0.479 412 H N 4.761 123.558 119.070 -0.456 0.000 2.594 412 H HA 0.135 4.692 4.556 0.001 0.000 0.304 412 H C -0.161 174.944 175.328 -0.371 0.000 1.068 412 H CA -0.261 55.615 56.048 -0.287 0.000 1.308 412 H CB 1.347 31.005 29.762 -0.173 0.000 1.409 412 H HN 0.733 nan 8.280 nan 0.000 0.460 413 D N 1.686 121.996 120.400 -0.149 0.000 2.431 413 D HA 0.022 4.662 4.640 0.001 0.000 0.227 413 D C -0.095 175.877 176.300 -0.547 0.000 1.030 413 D CA 0.771 54.607 54.000 -0.273 0.000 0.897 413 D CB 0.852 41.559 40.800 -0.156 0.000 1.058 413 D HN 0.609 nan 8.370 nan 0.000 0.500 414 H N -0.672 118.416 119.070 0.029 0.000 2.679 414 H HA 0.411 4.968 4.556 0.001 0.000 0.360 414 H C -0.210 175.139 175.328 0.035 0.000 1.105 414 H CA -0.765 55.313 56.048 0.051 0.000 1.196 414 H CB 1.802 31.560 29.762 -0.007 0.000 1.636 414 H HN -0.193 nan 8.280 nan 0.000 0.531 415 S N 1.106 116.914 115.700 0.181 0.000 2.713 415 S HA 0.096 4.566 4.470 0.001 0.000 0.283 415 S C 1.265 175.907 174.600 0.070 0.000 1.161 415 S CA -0.498 57.786 58.200 0.139 0.000 0.999 415 S CB 1.261 64.569 63.200 0.180 0.000 1.039 415 S HN 0.911 nan 8.310 nan 0.000 0.548 416 E N 0.145 120.312 120.200 -0.055 0.000 2.219 416 E HA -0.268 4.083 4.350 0.001 0.000 0.198 416 E C 1.017 177.514 176.600 -0.171 0.000 0.998 416 E CA 1.663 57.980 56.400 -0.139 0.000 0.818 416 E CB -0.683 28.873 29.700 -0.240 0.000 0.741 416 E HN 0.794 nan 8.360 nan 0.000 0.477 417 H N -0.165 118.963 119.070 0.097 0.000 2.548 417 H HA 0.205 4.762 4.556 0.001 0.000 0.268 417 H C 1.212 176.601 175.328 0.102 0.000 0.975 417 H CA 1.016 57.115 56.048 0.085 0.000 1.195 417 H CB 0.628 30.429 29.762 0.065 0.000 1.397 417 H HN 0.195 nan 8.280 nan 0.000 0.572 418 S N 0.018 115.843 115.700 0.207 0.000 2.539 418 S HA 0.100 4.570 4.470 0.001 0.000 0.226 418 S C 0.818 175.557 174.600 0.232 0.000 1.054 418 S CA -0.224 58.108 58.200 0.219 0.000 0.910 418 S CB 1.003 64.359 63.200 0.260 0.000 0.818 418 S HN -0.055 nan 8.310 nan 0.000 0.490 419 V N 4.142 124.184 119.914 0.213 0.000 2.389 419 V HA 0.255 4.375 4.120 0.001 0.000 0.264 419 V C 0.764 176.970 176.094 0.185 0.000 1.049 419 V CA -0.053 62.397 62.300 0.251 0.000 0.932 419 V CB 0.948 32.866 31.823 0.158 0.000 1.011 419 V HN 0.196 nan 8.190 nan 0.000 0.475 420 K N 3.477 123.991 120.400 0.190 0.000 2.276 420 K HA 0.286 4.606 4.320 0.001 0.000 0.198 420 K C 0.105 176.777 176.600 0.119 0.000 1.052 420 K CA 0.680 57.053 56.287 0.143 0.000 0.984 420 K CB 0.710 33.296 32.500 0.143 0.000 0.836 420 K HN 0.484 nan 8.250 nan 0.000 0.490 421 V N 1.774 121.758 119.914 0.117 0.000 2.888 421 V HA 0.453 4.573 4.120 0.001 0.000 0.309 421 V C -0.704 175.428 176.094 0.062 0.000 1.114 421 V CA -0.878 61.434 62.300 0.019 0.000 0.940 421 V CB 2.706 34.462 31.823 -0.111 0.000 1.021 421 V HN -0.031 nan 8.190 nan 0.000 0.426 422 I N 4.413 124.999 120.570 0.028 0.000 2.545 422 I HA 0.619 4.789 4.170 0.001 0.000 0.292 422 I C -1.102 175.042 176.117 0.044 0.000 1.040 422 I CA -0.575 60.793 61.300 0.113 0.000 1.068 422 I CB 2.282 40.396 38.000 0.191 0.000 1.251 422 I HN 0.423 nan 8.210 nan 0.000 0.424 423 I N 4.490 125.113 120.570 0.089 0.000 2.571 423 I HA 0.337 4.507 4.170 0.001 0.000 0.289 423 I C -0.150 176.041 176.117 0.124 0.000 1.115 423 I CA -0.151 61.181 61.300 0.054 0.000 1.045 423 I CB 2.245 40.232 38.000 -0.023 0.000 1.238 423 I HN 0.686 nan 8.210 nan 0.000 0.424 424 S N 3.757 119.542 115.700 0.140 0.000 2.823 424 S HA 0.376 4.846 4.470 0.001 0.000 0.316 424 S C 0.815 175.431 174.600 0.028 0.000 1.116 424 S CA -0.582 57.707 58.200 0.148 0.000 0.911 424 S CB 1.373 64.762 63.200 0.315 0.000 1.276 424 S HN 0.685 nan 8.310 nan 0.000 0.565 425 E N 0.092 120.228 120.200 -0.106 0.000 2.338 425 E HA -0.132 4.219 4.350 0.001 0.000 0.197 425 E C 1.025 177.450 176.600 -0.291 0.000 1.007 425 E CA 0.763 57.000 56.400 -0.273 0.000 0.849 425 E CB -0.442 28.973 29.700 -0.475 0.000 0.774 425 E HN 0.838 nan 8.360 nan 0.000 0.506 426 W N 1.677 122.988 121.300 0.018 0.000 2.658 426 W HA 0.257 4.917 4.660 0.001 0.000 0.263 426 W C 1.156 177.662 176.519 -0.021 0.000 1.274 426 W CA 0.417 57.753 57.345 -0.016 0.000 1.343 426 W CB 0.530 29.966 29.460 -0.039 0.000 1.106 426 W HN 0.308 nan 8.180 nan 0.000 0.615 427 G N -0.600 108.305 108.800 0.176 0.000 2.356 427 G HA2 0.268 4.228 3.960 0.001 0.000 0.288 427 G HA3 0.268 4.228 3.960 0.001 0.000 0.288 427 G C -1.648 173.275 174.900 0.038 0.000 1.302 427 G CA -0.551 44.607 45.100 0.096 0.000 0.887 427 G HN 0.280 nan 8.290 nan 0.000 0.521 428 V N -2.394 117.515 119.914 -0.009 0.000 2.628 428 V HA 0.951 5.072 4.120 0.001 0.000 0.306 428 V C 0.183 176.221 176.094 -0.093 0.000 1.045 428 V CA -0.119 62.122 62.300 -0.098 0.000 0.905 428 V CB 1.446 33.121 31.823 -0.247 0.000 0.997 428 V HN 2.462 nan 8.190 nan 0.000 0.436 429 A N 3.188 125.946 122.820 -0.104 0.000 2.328 429 A HA 0.552 4.872 4.320 0.001 0.000 0.318 429 A C -0.367 177.176 177.584 -0.068 0.000 1.347 429 A CA -0.398 51.600 52.037 -0.064 0.000 0.842 429 A CB 0.390 19.361 19.000 -0.047 0.000 1.148 429 A HN 0.926 nan 8.150 nan 0.000 0.499 430 D N 2.873 123.248 120.400 -0.042 0.000 2.336 430 D HA 0.232 4.873 4.640 0.001 0.000 0.249 430 D C 0.470 176.797 176.300 0.045 0.000 1.213 430 D CA -0.262 53.745 54.000 0.011 0.000 0.870 430 D CB 0.928 41.791 40.800 0.104 0.000 1.076 430 D HN 0.276 nan 8.370 nan 0.000 0.483 431 L N 3.502 124.757 121.223 0.054 0.000 2.509 431 L HA 0.134 4.475 4.340 0.001 0.000 0.222 431 L C 1.217 178.130 176.870 0.073 0.000 1.123 431 L CA 0.438 55.316 54.840 0.062 0.000 0.856 431 L CB -0.530 41.569 42.059 0.067 0.000 0.985 431 L HN 0.234 nan 8.230 nan 0.000 0.456 432 R N 0.004 120.556 120.500 0.085 0.000 2.585 432 R HA 0.301 4.641 4.340 0.001 0.000 0.275 432 R C 1.258 177.601 176.300 0.071 0.000 1.018 432 R CA 0.809 56.959 56.100 0.082 0.000 1.072 432 R CB -0.170 30.185 30.300 0.092 0.000 0.953 432 R HN 0.321 nan 8.270 nan 0.000 0.419 433 G N 1.936 110.774 108.800 0.064 0.000 2.143 433 G HA2 -0.330 3.630 3.960 0.001 0.000 0.248 433 G HA3 -0.330 3.630 3.960 0.001 0.000 0.248 433 G C -0.198 174.735 174.900 0.055 0.000 0.991 433 G CA 0.257 45.391 45.100 0.056 0.000 0.689 433 G HN 0.505 nan 8.290 nan 0.000 0.522 434 K N 0.247 120.683 120.400 0.060 0.000 2.318 434 K HA 0.433 4.753 4.320 0.001 0.000 0.249 434 K C 0.580 177.220 176.600 0.067 0.000 0.942 434 K CA -0.441 55.884 56.287 0.063 0.000 0.808 434 K CB 1.399 33.938 32.500 0.065 0.000 1.189 434 K HN 0.484 nan 8.250 nan 0.000 0.428 435 N N 0.865 119.607 118.700 0.070 0.000 2.405 435 N HA 0.215 4.955 4.740 0.001 0.000 0.269 435 N C -2.109 173.465 175.510 0.108 0.000 1.249 435 N CA -1.472 51.621 53.050 0.072 0.000 0.974 435 N CB 0.737 39.260 38.487 0.059 0.000 1.204 435 N HN 0.009 nan 8.380 nan 0.000 0.565 436 P HA -0.162 nan 4.420 nan 0.000 0.214 436 P C 1.095 178.607 177.300 0.353 0.000 1.163 436 P CA 1.654 64.915 63.100 0.268 0.000 0.889 436 P CB 0.074 31.811 31.700 0.063 0.000 0.790 437 R N -0.317 120.328 120.500 0.241 0.000 2.081 437 R HA -0.131 4.210 4.340 0.001 0.000 0.235 437 R C 2.267 178.686 176.300 0.199 0.000 1.131 437 R CA 1.442 57.671 56.100 0.214 0.000 0.960 437 R CB -0.535 29.874 30.300 0.182 0.000 0.856 437 R HN 0.360 nan 8.270 nan 0.000 0.436 438 E N 0.229 120.526 120.200 0.163 0.000 2.106 438 E HA -0.194 4.156 4.350 0.001 0.000 0.192 438 E C 1.985 178.648 176.600 0.105 0.000 0.984 438 E CA 1.164 57.649 56.400 0.140 0.000 0.806 438 E CB -0.035 29.720 29.700 0.093 0.000 0.750 438 E HN 0.382 nan 8.360 nan 0.000 0.458 439 R N 0.692 121.242 120.500 0.084 0.000 2.200 439 R HA 0.165 4.505 4.340 0.001 0.000 0.208 439 R C 2.100 178.377 176.300 -0.039 0.000 1.033 439 R CA 0.925 57.049 56.100 0.040 0.000 1.000 439 R CB -0.087 30.249 30.300 0.060 0.000 0.906 439 R HN 0.054 nan 8.270 nan 0.000 0.462 440 A N 1.275 124.033 122.820 -0.102 0.000 1.897 440 A HA -0.108 4.213 4.320 0.001 0.000 0.215 440 A C 1.616 179.045 177.584 -0.258 0.000 1.181 440 A CA 1.371 53.219 52.037 -0.315 0.000 0.620 440 A CB -0.735 17.960 19.000 -0.508 0.000 0.821 440 A HN 0.511 nan 8.150 nan 0.000 0.443 441 H N -1.248 117.775 119.070 -0.080 0.000 2.423 441 H HA -0.063 4.493 4.556 0.001 0.000 0.297 441 H C 2.136 177.422 175.328 -0.070 0.000 1.075 441 H CA 1.558 57.568 56.048 -0.064 0.000 1.342 441 H CB 0.149 29.892 29.762 -0.032 0.000 1.395 441 H HN 0.587 nan 8.280 nan 0.000 0.530 442 E N 0.972 121.202 120.200 0.050 0.000 2.047 442 E HA -0.109 4.241 4.350 0.001 0.000 0.191 442 E C 1.957 178.521 176.600 -0.059 0.000 0.987 442 E CA 1.092 57.495 56.400 0.006 0.000 0.799 442 E CB -0.265 29.443 29.700 0.013 0.000 0.752 442 E HN 0.471 nan 8.360 nan 0.000 0.449 443 I N 0.282 120.789 120.570 -0.105 0.000 2.286 443 I HA -0.239 3.932 4.170 0.001 0.000 0.248 443 I C 2.239 178.184 176.117 -0.287 0.000 1.115 443 I CA 0.907 62.089 61.300 -0.196 0.000 1.392 443 I CB -0.240 37.643 38.000 -0.196 0.000 1.065 443 I HN 0.181 nan 8.210 nan 0.000 0.418 444 I N 0.621 121.061 120.570 -0.217 0.000 2.202 444 I HA -0.282 3.889 4.170 0.001 0.000 0.242 444 I C 1.977 178.004 176.117 -0.149 0.000 1.091 444 I CA 1.422 62.607 61.300 -0.191 0.000 1.368 444 I CB -0.434 37.486 38.000 -0.133 0.000 1.058 444 I HN 0.204 nan 8.210 nan 0.000 0.410 445 D N 0.634 120.980 120.400 -0.090 0.000 2.183 445 D HA -0.107 4.533 4.640 0.001 0.000 0.203 445 D C 2.086 178.335 176.300 -0.085 0.000 0.969 445 D CA 1.010 54.967 54.000 -0.073 0.000 0.842 445 D CB -0.015 40.771 40.800 -0.024 0.000 0.957 445 D HN 0.236 nan 8.370 nan 0.000 0.484 446 K N -0.605 119.745 120.400 -0.083 0.000 2.287 446 K HA 0.178 4.498 4.320 0.001 0.000 0.199 446 K C 1.928 178.518 176.600 -0.016 0.000 1.061 446 K CA 0.248 56.511 56.287 -0.039 0.000 0.976 446 K CB -0.048 32.436 32.500 -0.026 0.000 0.898 446 K HN 0.186 nan 8.250 nan 0.000 0.492 447 C N 0.770 119.981 119.300 -0.148 0.000 2.563 447 C HA 0.251 4.711 4.460 0.001 0.000 0.346 447 C C 1.142 175.975 174.990 -0.262 0.000 1.334 447 C CA -0.525 58.384 59.018 -0.182 0.000 1.938 447 C CB 0.341 27.858 27.740 -0.371 0.000 2.445 447 C HN -0.047 nan 8.230 nan 0.000 0.541 448 V N 3.080 122.676 119.914 -0.529 0.000 2.763 448 V HA 0.015 4.135 4.120 0.001 0.000 0.306 448 V C 0.597 176.681 176.094 -0.016 0.000 1.059 448 V CA 0.399 62.525 62.300 -0.290 0.000 1.138 448 V CB -0.114 31.568 31.823 -0.235 0.000 0.940 448 V HN 0.533 nan 8.190 nan 0.000 0.489 449 H N 7.053 126.226 119.070 0.172 0.000 2.803 449 H HA 0.126 4.682 4.556 0.001 0.000 0.330 449 H C -1.768 173.504 175.328 -0.092 0.000 1.057 449 H CA -1.831 54.283 56.048 0.111 0.000 1.458 449 H CB 1.644 31.710 29.762 0.506 0.000 1.470 449 H HN 0.362 nan 8.280 nan 0.000 0.560 450 P HA -0.214 nan 4.420 nan 0.000 0.220 450 P C 0.927 178.249 177.300 0.036 0.000 1.155 450 P CA 1.734 64.686 63.100 -0.247 0.000 0.880 450 P CB 0.309 31.738 31.700 -0.451 0.000 0.790 451 D N -2.914 117.658 120.400 0.287 0.000 2.311 451 D HA -0.142 4.498 4.640 0.001 0.000 0.212 451 D C 1.061 177.142 176.300 -0.364 0.000 0.972 451 D CA 1.203 55.140 54.000 -0.105 0.000 0.887 451 D CB -0.349 40.248 40.800 -0.338 0.000 0.915 451 D HN 0.399 nan 8.370 nan 0.000 0.497 452 Y N -0.839 119.533 120.300 0.118 0.000 2.527 452 Y HA 0.246 4.796 4.550 0.001 0.000 0.247 452 Y C 1.947 177.930 175.900 0.139 0.000 1.138 452 Y CA -0.477 57.709 58.100 0.142 0.000 1.228 452 Y CB 0.486 39.081 38.460 0.224 0.000 1.252 452 Y HN -0.181 nan 8.280 nan 0.000 0.531 453 R N 0.848 121.447 120.500 0.165 0.000 2.073 453 R HA -0.088 4.252 4.340 0.001 0.000 0.234 453 R C -0.803 175.558 176.300 0.101 0.000 1.134 453 R CA 1.514 57.663 56.100 0.082 0.000 0.952 453 R CB -1.909 28.379 30.300 -0.021 0.000 0.850 453 R HN 0.288 nan 8.270 nan 0.000 0.433 454 P HA -0.129 nan 4.420 nan 0.000 0.219 454 P C 1.527 178.947 177.300 0.201 0.000 1.150 454 P CA 0.907 64.073 63.100 0.109 0.000 0.814 454 P CB -0.014 31.725 31.700 0.065 0.000 0.787 455 L N -0.516 120.864 121.223 0.263 0.000 2.093 455 L HA -0.031 4.309 4.340 0.001 0.000 0.208 455 L C 2.516 179.758 176.870 0.620 0.000 1.085 455 L CA 1.546 56.661 54.840 0.459 0.000 0.755 455 L CB -1.455 40.844 42.059 0.399 0.000 0.904 455 L HN -0.151 nan 8.230 nan 0.000 0.435 456 L N -1.483 119.984 121.223 0.406 0.000 2.313 456 L HA -0.080 4.260 4.340 0.001 0.000 0.214 456 L C 2.545 179.487 176.870 0.120 0.000 1.119 456 L CA 0.473 55.449 54.840 0.226 0.000 0.809 456 L CB -0.337 41.762 42.059 0.066 0.000 0.933 456 L HN 0.198 nan 8.230 nan 0.000 0.449 457 R N -0.334 120.242 120.500 0.128 0.000 2.093 457 R HA -0.100 4.240 4.340 0.001 0.000 0.224 457 R C 2.167 178.519 176.300 0.088 0.000 1.101 457 R CA 0.939 57.083 56.100 0.072 0.000 0.979 457 R CB -0.125 30.237 30.300 0.103 0.000 0.877 457 R HN 0.452 nan 8.270 nan 0.000 0.441 458 Q N -0.576 119.326 119.800 0.170 0.000 2.224 458 Q HA -0.184 4.156 4.340 0.001 0.000 0.203 458 Q C 1.567 177.507 176.000 -0.100 0.000 0.970 458 Q CA 1.191 57.076 55.803 0.137 0.000 0.865 458 Q CB -0.074 28.881 28.738 0.361 0.000 0.922 458 Q HN 0.357 nan 8.270 nan 0.000 0.445 459 Y N 0.800 120.915 120.300 -0.308 0.000 2.352 459 Y HA -0.132 4.419 4.550 0.001 0.000 0.292 459 Y C 1.491 177.168 175.900 -0.373 0.000 1.136 459 Y CA 1.034 58.725 58.100 -0.682 0.000 1.227 459 Y CB 0.092 38.171 38.460 -0.635 0.000 0.991 459 Y HN 0.027 nan 8.280 nan 0.000 0.545 460 L N 0.104 121.202 121.223 -0.208 0.000 2.552 460 L HA -0.013 4.327 4.340 0.001 0.000 0.227 460 L C 0.724 177.500 176.870 -0.157 0.000 1.146 460 L CA 0.595 55.329 54.840 -0.177 0.000 0.858 460 L CB -0.091 41.903 42.059 -0.108 0.000 0.969 460 L HN 0.098 nan 8.230 nan 0.000 0.451 461 E N 0.163 120.262 120.200 -0.168 0.000 2.736 461 E HA 0.209 4.559 4.350 0.001 0.000 0.208 461 E C 0.909 177.421 176.600 -0.146 0.000 0.996 461 E CA 0.046 56.381 56.400 -0.108 0.000 1.104 461 E CB 0.624 30.304 29.700 -0.033 0.000 1.111 461 E HN 0.402 nan 8.360 nan 0.000 0.455 462 L N -0.209 120.860 121.223 -0.257 0.000 2.629 462 L HA 0.215 4.555 4.340 0.001 0.000 0.230 462 L C 1.205 177.977 176.870 -0.163 0.000 1.151 462 L CA 0.339 55.038 54.840 -0.234 0.000 0.924 462 L CB -0.069 41.755 42.059 -0.391 0.000 1.137 462 L HN 0.338 nan 8.230 nan 0.000 0.457 463 G N -0.116 108.604 108.800 -0.133 0.000 2.176 463 G HA2 -0.261 3.700 3.960 0.001 0.000 0.253 463 G HA3 -0.261 3.700 3.960 0.001 0.000 0.253 463 G C 0.337 175.176 174.900 -0.101 0.000 0.979 463 G CA 0.053 45.097 45.100 -0.093 0.000 0.641 463 G HN 0.121 nan 8.290 nan 0.000 0.530 464 V N 1.269 121.096 119.914 -0.144 0.000 2.585 464 V HA 0.314 4.434 4.120 0.001 0.000 0.296 464 V C 0.865 176.898 176.094 -0.101 0.000 1.035 464 V CA 0.459 62.679 62.300 -0.133 0.000 1.084 464 V CB 1.237 32.948 31.823 -0.187 0.000 0.953 464 V HN 0.347 nan 8.190 nan 0.000 0.483 465 K N 3.075 123.427 120.400 -0.080 0.000 2.138 465 K HA 0.755 5.075 4.320 0.001 0.000 0.263 465 K C 0.296 176.855 176.600 -0.068 0.000 0.965 465 K CA 0.108 56.357 56.287 -0.063 0.000 0.868 465 K CB 1.823 34.294 32.500 -0.048 0.000 1.083 465 K HN 1.059 nan 8.250 nan 0.000 0.443 466 G N 0.951 109.715 108.800 -0.060 0.000 2.355 466 G HA2 -0.178 3.782 3.960 0.001 0.000 0.619 466 G HA3 -0.178 3.782 3.960 0.001 0.000 0.619 466 G C 0.104 174.962 174.900 -0.069 0.000 1.337 466 G CA -0.366 44.696 45.100 -0.064 0.000 0.993 466 G HN 0.538 nan 8.290 nan 0.000 0.599 467 Q N -0.597 119.162 119.800 -0.070 0.000 2.077 467 Q HA 0.047 4.387 4.340 0.001 0.000 0.206 467 Q C 1.290 177.214 176.000 -0.126 0.000 0.989 467 Q CA 2.831 58.592 55.803 -0.070 0.000 0.853 467 Q CB -0.182 28.520 28.738 -0.059 0.000 0.907 467 Q HN 0.751 nan 8.270 nan 0.000 0.418 468 T N 2.298 116.731 114.554 -0.201 0.000 2.809 468 T HA 0.374 4.725 4.350 0.001 0.000 0.296 468 T C -2.567 171.928 174.700 -0.341 0.000 1.015 468 T CA -1.462 60.399 62.100 -0.398 0.000 0.954 468 T CB 1.634 70.206 68.868 -0.494 0.000 0.950 468 T HN 0.106 nan 8.240 nan 0.000 0.450 469 P HA 0.106 nan 4.420 nan 0.000 0.249 469 P C 0.003 177.220 177.300 -0.139 0.000 1.686 469 P CA -0.119 62.892 63.100 -0.148 0.000 0.873 469 P CB 0.014 31.702 31.700 -0.021 0.000 1.828 470 Q N 1.373 121.076 119.800 -0.163 0.000 2.267 470 Q HA 0.149 4.489 4.340 0.001 0.000 0.255 470 Q C 0.065 176.018 176.000 -0.079 0.000 0.923 470 Q CA 0.114 55.905 55.803 -0.020 0.000 0.925 470 Q CB 0.819 29.517 28.738 -0.066 0.000 1.195 470 Q HN 0.110 nan 8.270 nan 0.000 0.417 471 N N 3.896 122.571 118.700 -0.041 0.000 2.589 471 N HA 0.048 4.788 4.740 0.001 0.000 0.232 471 N C 0.463 175.978 175.510 0.007 0.000 1.015 471 N CA -0.182 52.817 53.050 -0.085 0.000 0.931 471 N CB 0.570 38.930 38.487 -0.213 0.000 1.150 471 N HN 0.375 nan 8.380 nan 0.000 0.512 472 L N 2.286 123.497 121.223 -0.020 0.000 2.351 472 L HA -0.125 4.215 4.340 0.001 0.000 0.220 472 L C 1.476 178.372 176.870 0.042 0.000 1.127 472 L CA 1.265 56.097 54.840 -0.013 0.000 0.786 472 L CB -0.250 41.802 42.059 -0.012 0.000 0.914 472 L HN 0.458 nan 8.230 nan 0.000 0.443 473 D N -1.845 118.597 120.400 0.070 0.000 2.289 473 D HA -0.007 4.633 4.640 0.001 0.000 0.207 473 D C 1.558 177.985 176.300 0.211 0.000 0.966 473 D CA 1.264 55.339 54.000 0.125 0.000 0.868 473 D CB 0.219 41.087 40.800 0.113 0.000 0.943 473 D HN 0.575 nan 8.370 nan 0.000 0.514 474 C N -1.142 118.295 119.300 0.228 0.000 3.798 474 C HA 0.282 4.743 4.460 0.001 0.000 0.285 474 C C 2.470 177.644 174.990 0.307 0.000 1.968 474 C CA -0.773 58.460 59.018 0.357 0.000 1.685 474 C CB -1.264 26.800 27.740 0.540 0.000 3.276 474 C HN 0.399 nan 8.230 nan 0.000 0.525 475 C N -0.779 118.581 119.300 0.102 0.000 2.409 475 C HA 0.073 4.534 4.460 0.001 0.000 0.284 475 C C 1.671 176.560 174.990 -0.169 0.000 1.354 475 C CA 0.850 59.790 59.018 -0.130 0.000 1.787 475 C CB -2.134 25.410 27.740 -0.326 0.000 1.900 475 C HN 0.639 nan 8.230 nan 0.000 0.520 476 F N 0.667 120.733 119.950 0.193 0.000 2.647 476 F HA 0.430 4.957 4.527 0.000 0.000 0.300 476 F C 2.318 178.245 175.800 0.212 0.000 1.106 476 F CA -0.006 58.145 58.000 0.251 0.000 1.313 476 F CB -0.009 39.106 39.000 0.192 0.000 1.007 476 F HN 0.178 nan 8.300 nan 0.000 0.536 477 A N 0.375 123.342 122.820 0.246 0.000 1.940 477 A HA -0.197 4.124 4.320 0.001 0.000 0.219 477 A C 1.844 179.351 177.584 -0.128 0.000 1.176 477 A CA 1.560 53.442 52.037 -0.259 0.000 0.631 477 A CB -0.797 17.832 19.000 -0.619 0.000 0.814 477 A HN 0.328 nan 8.150 nan 0.000 0.446 478 F N 0.151 119.988 119.950 -0.188 0.000 2.095 478 F HA -0.176 4.351 4.527 0.000 0.000 0.298 478 F C 2.625 178.310 175.800 -0.191 0.000 1.104 478 F CA 1.546 59.404 58.000 -0.237 0.000 1.232 478 F CB -0.877 37.944 39.000 -0.299 0.000 0.987 478 F HN 0.395 nan 8.300 nan 0.000 0.475 479 H N -0.558 118.639 119.070 0.212 0.000 2.357 479 H HA -0.111 4.445 4.556 0.001 0.000 0.301 479 H C 2.154 177.533 175.328 0.085 0.000 1.082 479 H CA 1.533 57.647 56.048 0.111 0.000 1.342 479 H CB -0.528 29.281 29.762 0.078 0.000 1.389 479 H HN 0.408 nan 8.280 nan 0.000 0.511 480 Q N 0.378 120.330 119.800 0.252 0.000 2.084 480 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 480 Q C 2.312 178.428 176.000 0.194 0.000 0.978 480 Q CA 1.367 57.309 55.803 0.232 0.000 0.844 480 Q CB 0.085 29.032 28.738 0.349 0.000 0.898 480 Q HN 0.285 nan 8.270 nan 0.000 0.426 481 E N 0.818 121.098 120.200 0.133 0.000 2.150 481 E HA -0.179 4.171 4.350 0.001 0.000 0.193 481 E C 1.700 178.323 176.600 0.038 0.000 0.985 481 E CA 0.536 56.998 56.400 0.103 0.000 0.814 481 E CB -0.186 29.497 29.700 -0.028 0.000 0.752 481 E HN 0.231 nan 8.360 nan 0.000 0.466 482 L N 0.198 121.430 121.223 0.015 0.000 2.042 482 L HA -0.048 4.292 4.340 0.001 0.000 0.210 482 L C 2.122 179.010 176.870 0.030 0.000 1.076 482 L CA 2.320 57.164 54.840 0.007 0.000 0.749 482 L CB -0.931 41.133 42.059 0.009 0.000 0.893 482 L HN 0.164 nan 8.230 nan 0.000 0.432 483 A N -0.941 121.913 122.820 0.056 0.000 1.968 483 A HA -0.092 4.228 4.320 0.001 0.000 0.217 483 A C 2.140 179.753 177.584 0.048 0.000 1.169 483 A CA 1.317 53.385 52.037 0.052 0.000 0.638 483 A CB -0.353 18.686 19.000 0.065 0.000 0.812 483 A HN 0.419 nan 8.150 nan 0.000 0.446 484 K N -0.257 120.180 120.400 0.062 0.000 2.044 484 K HA 0.120 4.440 4.320 0.001 0.000 0.204 484 K C 1.899 178.516 176.600 0.029 0.000 1.045 484 K CA 1.594 57.911 56.287 0.051 0.000 0.951 484 K CB -0.683 31.862 32.500 0.075 0.000 0.738 484 K HN 0.360 nan 8.250 nan 0.000 0.443 485 S N -1.037 114.677 115.700 0.024 0.000 2.497 485 S HA 0.188 4.659 4.470 0.001 0.000 0.221 485 S C 1.218 175.816 174.600 -0.003 0.000 1.037 485 S CA 0.586 58.789 58.200 0.005 0.000 0.920 485 S CB 0.742 63.938 63.200 -0.006 0.000 0.800 485 S HN 0.546 nan 8.310 nan 0.000 0.505 486 G N 1.507 110.305 108.800 -0.002 0.000 2.175 486 G HA2 -0.189 3.772 3.960 0.001 0.000 0.244 486 G HA3 -0.189 3.772 3.960 0.001 0.000 0.244 486 G C -0.228 174.663 174.900 -0.016 0.000 0.982 486 G CA 0.345 45.442 45.100 -0.006 0.000 0.641 486 G HN 0.508 nan 8.290 nan 0.000 0.527 490 N N 0.832 119.417 118.700 -0.191 0.000 2.521 490 N HA 0.041 4.781 4.740 0.001 0.000 0.188 490 N C 0.017 175.444 175.510 -0.138 0.000 1.146 490 N CA 0.487 53.457 53.050 -0.133 0.000 0.893 490 N CB 0.470 38.911 38.487 -0.077 0.000 0.975 490 N HN -0.047 nan 8.380 nan 0.000 0.451 491 V N 1.383 121.141 119.914 -0.259 0.000 2.715 491 V HA 0.135 4.255 4.120 0.001 0.000 0.299 491 V C 0.542 176.435 176.094 -0.334 0.000 1.054 491 V CA 0.074 62.180 62.300 -0.323 0.000 1.077 491 V CB 0.750 32.173 31.823 -0.668 0.000 0.972 491 V HN 0.113 nan 8.190 nan 0.000 0.484 492 R N 2.677 123.036 120.500 -0.235 0.000 2.531 492 R HA 0.201 4.542 4.340 0.001 0.000 0.293 492 R C -0.162 176.112 176.300 -0.043 0.000 1.124 492 R CA -0.527 55.471 56.100 -0.169 0.000 0.945 492 R CB 1.120 31.403 30.300 -0.028 0.000 1.195 492 R HN 0.786 nan 8.270 nan 0.000 0.433 493 W N 1.292 122.725 121.300 0.223 0.000 2.341 493 W HA -0.173 4.487 4.660 0.000 0.000 0.283 493 W C 1.390 178.032 176.519 0.205 0.000 1.215 493 W CA 0.619 58.108 57.345 0.241 0.000 1.211 493 W CB 0.199 29.775 29.460 0.192 0.000 1.131 493 W HN 0.582 nan 8.180 nan 0.000 0.552 494 E N -0.049 120.338 120.200 0.312 0.000 2.338 494 E HA -0.147 4.204 4.350 0.001 0.000 0.197 494 E C 1.350 178.039 176.600 0.148 0.000 1.007 494 E CA 1.216 57.738 56.400 0.203 0.000 0.849 494 E CB -0.381 29.401 29.700 0.137 0.000 0.774 494 E HN 0.206 nan 8.360 nan 0.000 0.506 495 D N -1.132 119.354 120.400 0.144 0.000 2.240 495 D HA -0.026 4.615 4.640 0.001 0.000 0.206 495 D C 0.133 176.392 176.300 -0.069 0.000 0.963 495 D CA 0.624 54.632 54.000 0.012 0.000 0.863 495 D CB 0.113 40.888 40.800 -0.042 0.000 0.973 495 D HN 0.156 nan 8.370 nan 0.000 0.501 496 Y N 0.000 120.387 120.300 0.144 0.000 2.660 496 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 496 Y CA 0.000 58.214 58.100 0.190 0.000 1.940 496 Y CB 0.000 38.623 38.460 0.272 0.000 1.050 496 Y HN 0.000 nan 8.280 nan 0.000 0.758