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 2zyk_1_B DATA FIRST_RESID 17 DATA SEQUENCE KPDKLVVWEN ADDGVQLNNT KKWAGEFTKK TGIQVEVVPV ALLKQQEKLT DATA SEQUENCE LDGPAGKGAD LVTWPHDRLG EAVTKGLLQP IQVDNSVKNQ FDDVAMKALT DATA SEQUENCE YGGKLYGLPK AIESVALIYN KKLMGQVPAT YDELFQYAKA NNKPDEQKYG DATA SEQUENCE VLFEANNFYY TYFLFAAKGA AVFKEQDGTL DPNEIGLNSP EAVQGMNEVQ DATA SEQUENCE KWFTEARLPQ SLKADTVNGL FKSGKVAAVI NGPWAIKDYQ AAGINVGVAP DATA SEQUENCE LPKIDGKDAQ TFIGVKGWYL SAYSKYPKYA TELMQFLTSK EALASRFKET DATA SEQUENCE GEIPPQKELL NDPMIKNNPV VNGFAKQASK GVPMPSIPEM GVVWEPINNA DATA SEQUENCE HTFVAQGKQT PEQALNDAVK IMKEKIQTMK Q 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.600 176.600 -0.001 0.000 0.988 17 K CA 0.000 56.292 56.287 0.009 0.000 0.838 17 K CB 0.000 32.506 32.500 0.011 0.000 1.064 18 P HA 0.337 nan 4.420 nan 0.000 0.258 18 P C -1.036 176.259 177.300 -0.009 0.000 1.647 18 P CA -0.488 62.611 63.100 -0.002 0.000 1.099 18 P CB 0.644 32.351 31.700 0.012 0.000 1.604 19 D N 2.084 122.448 120.400 -0.060 0.000 2.304 19 D HA 0.391 5.031 4.640 -0.000 0.000 0.250 19 D C -0.472 175.727 176.300 -0.168 0.000 1.107 19 D CA -0.000 53.909 54.000 -0.151 0.000 0.885 19 D CB 0.834 41.501 40.800 -0.223 0.000 1.192 19 D HN 0.218 nan 8.370 nan 0.000 0.436 20 K N 3.349 123.615 120.400 -0.223 0.000 2.569 20 K HA 0.300 4.620 4.320 -0.000 0.000 0.259 20 K C -1.632 174.872 176.600 -0.160 0.000 0.932 20 K CA -0.636 55.565 56.287 -0.143 0.000 0.833 20 K CB 0.927 33.400 32.500 -0.045 0.000 1.340 20 K HN 0.391 nan 8.250 nan 0.000 0.429 21 L N 3.586 124.738 121.223 -0.119 0.000 2.309 21 L HA 0.528 4.868 4.340 -0.000 0.000 0.282 21 L C -0.543 176.300 176.870 -0.045 0.000 1.036 21 L CA -1.168 53.623 54.840 -0.082 0.000 0.806 21 L CB 1.850 43.845 42.059 -0.106 0.000 1.220 21 L HN 0.293 nan 8.230 nan 0.000 0.429 22 V N 4.251 124.145 119.914 -0.034 0.000 2.384 22 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 22 V C -0.120 175.929 176.094 -0.074 0.000 1.020 22 V CA -0.601 61.695 62.300 -0.007 0.000 0.850 22 V CB 1.998 33.843 31.823 0.037 0.000 0.987 22 V HN 0.405 nan 8.190 nan 0.000 0.436 23 V N 3.949 123.867 119.914 0.008 0.000 2.495 23 V HA 0.490 4.610 4.120 -0.000 0.000 0.298 23 V C -1.111 175.185 176.094 0.337 0.000 1.031 23 V CA -0.641 61.658 62.300 -0.000 0.000 0.871 23 V CB 2.200 33.936 31.823 -0.145 0.000 0.988 23 V HN 0.849 nan 8.190 nan 0.000 0.432 24 W N 3.203 124.589 121.300 0.143 0.000 2.282 24 W HA 0.613 5.272 4.660 -0.000 0.000 0.322 24 W C 0.131 176.820 176.519 0.283 0.000 1.011 24 W CA -1.119 56.339 57.345 0.188 0.000 1.392 24 W CB 0.863 30.432 29.460 0.181 0.000 1.215 24 W HN 0.541 nan 8.180 nan 0.000 0.394 25 E N 2.251 122.703 120.200 0.420 0.000 2.214 25 E HA 0.191 4.541 4.350 -0.000 0.000 0.274 25 E C 0.064 176.747 176.600 0.139 0.000 0.977 25 E CA -0.733 55.846 56.400 0.298 0.000 0.827 25 E CB 0.664 30.540 29.700 0.293 0.000 1.130 25 E HN 0.246 nan 8.360 nan 0.000 0.394 26 N N 2.203 120.932 118.700 0.048 0.000 2.225 26 N HA -0.104 4.636 4.740 -0.000 0.000 0.257 26 N C -0.804 174.706 175.510 0.000 0.000 1.252 26 N CA 0.909 53.956 53.050 -0.004 0.000 0.833 26 N CB 0.507 38.958 38.487 -0.061 0.000 1.068 26 N HN 0.499 nan 8.380 nan 0.000 0.468 27 A N 3.109 125.916 122.820 -0.023 0.000 3.118 27 A HA 0.052 4.371 4.320 -0.000 0.000 0.256 27 A C 0.691 178.263 177.584 -0.021 0.000 1.667 27 A CA -0.279 51.744 52.037 -0.023 0.000 1.338 27 A CB -0.599 18.373 19.000 -0.047 0.000 1.127 27 A HN 0.797 nan 8.150 nan 0.000 0.634 28 D N 0.237 120.631 120.400 -0.010 0.000 2.349 28 D HA -0.125 4.515 4.640 -0.000 0.000 0.224 28 D C 0.419 176.722 176.300 0.006 0.000 1.029 28 D CA 0.446 54.443 54.000 -0.006 0.000 0.879 28 D CB -0.292 40.506 40.800 -0.005 0.000 0.906 28 D HN 0.511 nan 8.370 nan 0.000 0.528 29 D N -0.443 119.961 120.400 0.008 0.000 2.811 29 D HA -0.169 4.471 4.640 -0.000 0.000 0.231 29 D C 0.490 176.801 176.300 0.019 0.000 1.157 29 D CA 1.254 55.262 54.000 0.012 0.000 0.716 29 D CB -1.070 39.735 40.800 0.008 0.000 1.077 29 D HN 0.548 nan 8.370 nan 0.000 0.428 30 G N -1.868 106.946 108.800 0.023 0.000 2.947 30 G HA2 0.199 4.158 3.960 -0.000 0.000 0.115 30 G HA3 0.199 4.158 3.960 -0.000 0.000 0.115 30 G C 0.785 175.704 174.900 0.032 0.000 1.214 30 G CA 0.278 45.394 45.100 0.026 0.000 1.324 30 G HN 0.148 nan 8.290 nan 0.000 0.645 31 V N 1.156 121.086 119.914 0.027 0.000 2.287 31 V HA -0.177 3.942 4.120 -0.000 0.000 0.248 31 V C 2.903 179.023 176.094 0.043 0.000 1.053 31 V CA 2.888 65.206 62.300 0.030 0.000 1.027 31 V CB -0.738 31.092 31.823 0.011 0.000 0.646 31 V HN 0.600 nan 8.190 nan 0.000 0.447 32 Q N -0.917 118.902 119.800 0.032 0.000 2.083 32 Q HA -0.154 4.186 4.340 -0.000 0.000 0.198 32 Q C 2.241 178.284 176.000 0.073 0.000 0.969 32 Q CA 1.492 57.317 55.803 0.037 0.000 0.838 32 Q CB -0.317 28.421 28.738 0.000 0.000 0.900 32 Q HN 0.509 nan 8.270 nan 0.000 0.436 33 L N 1.519 122.781 121.223 0.065 0.000 2.042 33 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 33 L C 1.923 178.855 176.870 0.103 0.000 1.076 33 L CA 2.153 57.044 54.840 0.086 0.000 0.749 33 L CB -0.695 41.400 42.059 0.059 0.000 0.893 33 L HN 0.223 nan 8.230 nan 0.000 0.432 34 N N -0.322 118.430 118.700 0.087 0.000 2.084 34 N HA -0.267 4.472 4.740 -0.000 0.000 0.190 34 N C 1.812 177.402 175.510 0.133 0.000 1.030 34 N CA 1.892 54.997 53.050 0.090 0.000 0.849 34 N CB -0.605 37.921 38.487 0.066 0.000 1.012 34 N HN 0.518 nan 8.380 nan 0.000 0.423 35 N N -0.856 117.940 118.700 0.160 0.000 2.104 35 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 35 N C 0.963 176.686 175.510 0.355 0.000 1.024 35 N CA 1.759 54.961 53.050 0.254 0.000 0.853 35 N CB -0.247 38.368 38.487 0.213 0.000 1.008 35 N HN 0.303 nan 8.380 nan 0.000 0.424 36 T N 1.217 115.943 114.554 0.287 0.000 2.821 36 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 36 T C 1.820 176.679 174.700 0.264 0.000 1.046 36 T CA 0.874 63.169 62.100 0.326 0.000 1.139 36 T CB 0.062 69.145 68.868 0.359 0.000 0.871 36 T HN 0.332 nan 8.240 nan 0.000 0.454 37 K N 1.074 121.591 120.400 0.195 0.000 2.026 37 K HA -0.044 4.275 4.320 -0.000 0.000 0.208 37 K C 2.411 179.086 176.600 0.125 0.000 1.048 37 K CA 0.949 57.318 56.287 0.137 0.000 0.929 37 K CB -0.131 32.428 32.500 0.098 0.000 0.713 37 K HN 0.171 nan 8.250 nan 0.000 0.439 38 K N 0.094 120.565 120.400 0.118 0.000 2.059 38 K HA -0.202 4.117 4.320 -0.000 0.000 0.212 38 K C 1.767 178.329 176.600 -0.064 0.000 1.050 38 K CA 1.868 58.152 56.287 -0.005 0.000 0.927 38 K CB -0.107 32.377 32.500 -0.027 0.000 0.714 38 K HN 0.250 nan 8.250 nan 0.000 0.447 39 W N -0.266 121.125 121.300 0.153 0.000 2.737 39 W HA 0.136 4.796 4.660 -0.000 0.000 0.262 39 W C 2.136 178.828 176.519 0.290 0.000 1.282 39 W CA 0.434 57.920 57.345 0.236 0.000 1.386 39 W CB -0.027 29.552 29.460 0.199 0.000 1.099 39 W HN 0.163 nan 8.180 nan 0.000 0.621 40 A N 0.455 123.475 122.820 0.334 0.000 1.855 40 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 40 A C 2.286 179.984 177.584 0.189 0.000 1.191 40 A CA 1.911 54.068 52.037 0.200 0.000 0.613 40 A CB -1.440 17.622 19.000 0.104 0.000 0.829 40 A HN 0.268 nan 8.150 nan 0.000 0.442 41 G N -0.819 108.053 108.800 0.121 0.000 2.432 41 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 41 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 41 G C 1.410 176.334 174.900 0.041 0.000 1.135 41 G CA 1.263 46.396 45.100 0.056 0.000 0.767 41 G HN 0.515 nan 8.290 nan 0.000 0.550 42 E N -0.496 119.751 120.200 0.079 0.000 2.268 42 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 42 E C 1.781 178.469 176.600 0.147 0.000 0.995 42 E CA 0.308 56.764 56.400 0.092 0.000 0.836 42 E CB -0.276 29.429 29.700 0.008 0.000 0.763 42 E HN 0.481 nan 8.360 nan 0.000 0.491 43 F N -0.267 119.623 119.950 -0.100 0.000 2.179 43 F HA -0.064 4.463 4.527 -0.000 0.000 0.292 43 F C 2.115 177.712 175.800 -0.339 0.000 1.089 43 F CA 1.394 59.033 58.000 -0.602 0.000 1.295 43 F CB -0.449 38.162 39.000 -0.649 0.000 1.041 43 F HN -0.092 nan 8.300 nan 0.000 0.487 44 T N 0.623 115.145 114.554 -0.054 0.000 2.720 44 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 44 T C 1.962 176.543 174.700 -0.199 0.000 1.037 44 T CA 1.877 63.906 62.100 -0.118 0.000 1.144 44 T CB -0.334 68.525 68.868 -0.015 0.000 0.864 44 T HN 0.201 nan 8.240 nan 0.000 0.444 45 K N 0.898 121.207 120.400 -0.153 0.000 2.097 45 K HA -0.038 4.281 4.320 -0.000 0.000 0.205 45 K C 2.316 178.803 176.600 -0.189 0.000 1.050 45 K CA 1.079 57.284 56.287 -0.138 0.000 0.938 45 K CB -0.027 32.422 32.500 -0.086 0.000 0.718 45 K HN 0.147 nan 8.250 nan 0.000 0.442 46 K N -0.129 120.107 120.400 -0.274 0.000 2.366 46 K HA -0.070 4.250 4.320 -0.000 0.000 0.198 46 K C 1.254 177.616 176.600 -0.398 0.000 1.044 46 K CA 1.644 57.749 56.287 -0.304 0.000 0.973 46 K CB 0.290 32.593 32.500 -0.329 0.000 0.767 46 K HN 0.351 nan 8.250 nan 0.000 0.475 47 T N -5.811 108.437 114.554 -0.511 0.000 3.010 47 T HA 0.245 4.595 4.350 -0.000 0.000 0.252 47 T C 1.387 175.884 174.700 -0.340 0.000 0.963 47 T CA 0.684 62.484 62.100 -0.499 0.000 0.952 47 T CB 0.687 69.068 68.868 -0.811 0.000 1.182 47 T HN 0.218 nan 8.240 nan 0.000 0.495 48 G N 2.104 110.729 108.800 -0.292 0.000 2.268 48 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.240 48 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.240 48 G C 0.141 174.918 174.900 -0.205 0.000 1.010 48 G CA -0.024 44.952 45.100 -0.207 0.000 0.618 48 G HN 0.619 nan 8.290 nan 0.000 0.516 49 I N 2.746 123.157 120.570 -0.264 0.000 2.664 49 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 49 I C 1.004 177.047 176.117 -0.123 0.000 1.154 49 I CA 0.327 61.488 61.300 -0.231 0.000 1.402 49 I CB -0.038 37.808 38.000 -0.255 0.000 1.395 49 I HN 0.272 nan 8.210 nan 0.000 0.545 50 Q N 4.867 124.602 119.800 -0.108 0.000 2.421 50 Q HA 0.362 4.702 4.340 -0.000 0.000 0.255 50 Q C -0.579 175.406 176.000 -0.024 0.000 1.013 50 Q CA -0.116 55.653 55.803 -0.057 0.000 0.895 50 Q CB 2.051 30.754 28.738 -0.057 0.000 1.271 50 Q HN 0.431 nan 8.270 nan 0.000 0.460 51 V N 1.480 121.397 119.914 0.005 0.000 2.623 51 V HA 0.223 4.343 4.120 -0.000 0.000 0.304 51 V C -0.401 175.703 176.094 0.016 0.000 1.054 51 V CA -0.697 61.604 62.300 0.002 0.000 0.882 51 V CB 1.918 33.745 31.823 0.006 0.000 1.002 51 V HN 0.724 nan 8.190 nan 0.000 0.424 52 E N 3.918 124.132 120.200 0.023 0.000 2.101 52 E HA 0.445 4.795 4.350 -0.000 0.000 0.260 52 E C -1.273 175.381 176.600 0.090 0.000 0.897 52 E CA -0.430 56.002 56.400 0.054 0.000 0.744 52 E CB 1.707 31.444 29.700 0.062 0.000 1.140 52 E HN 0.526 nan 8.360 nan 0.000 0.419 53 V N 4.933 124.902 119.914 0.092 0.000 2.455 53 V HA 0.132 4.252 4.120 -0.000 0.000 0.273 53 V C 0.098 176.279 176.094 0.145 0.000 1.045 53 V CA -0.375 62.004 62.300 0.132 0.000 0.976 53 V CB 1.159 33.057 31.823 0.124 0.000 0.993 53 V HN 0.427 nan 8.190 nan 0.000 0.475 54 V N 8.184 128.221 119.914 0.205 0.000 2.417 54 V HA 0.382 4.502 4.120 -0.000 0.000 0.291 54 V C -2.212 173.915 176.094 0.055 0.000 1.024 54 V CA -1.971 60.404 62.300 0.123 0.000 0.861 54 V CB 2.121 34.029 31.823 0.140 0.000 0.985 54 V HN 0.737 nan 8.190 nan 0.000 0.436 55 P HA 0.249 nan 4.420 nan 0.000 0.275 55 P C -0.883 176.344 177.300 -0.121 0.000 1.276 55 P CA 0.059 63.144 63.100 -0.024 0.000 0.782 55 P CB 1.037 32.729 31.700 -0.014 0.000 0.851 56 V N 3.401 123.234 119.914 -0.137 0.000 2.577 56 V HA 0.508 4.628 4.120 -0.000 0.000 0.303 56 V C 0.525 176.561 176.094 -0.096 0.000 1.042 56 V CA -1.306 60.866 62.300 -0.214 0.000 0.872 56 V CB 1.741 33.276 31.823 -0.480 0.000 0.998 56 V HN 0.654 nan 8.190 nan 0.000 0.423 57 A N 3.282 126.042 122.820 -0.100 0.000 2.587 57 A HA 0.180 4.500 4.320 -0.000 0.000 0.235 57 A C 1.204 178.759 177.584 -0.048 0.000 1.044 57 A CA 0.252 52.242 52.037 -0.079 0.000 0.754 57 A CB -0.028 18.915 19.000 -0.095 0.000 0.968 57 A HN 1.053 nan 8.150 nan 0.000 0.509 58 L N 2.489 123.680 121.223 -0.054 0.000 2.013 58 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 58 L C 1.951 178.815 176.870 -0.010 0.000 1.073 58 L CA 1.997 56.827 54.840 -0.016 0.000 0.753 58 L CB -0.293 41.702 42.059 -0.106 0.000 0.890 58 L HN 0.756 nan 8.230 nan 0.000 0.432 59 L N -1.148 120.005 121.223 -0.117 0.000 2.627 59 L HA -0.022 4.318 4.340 -0.000 0.000 0.233 59 L C 1.733 178.500 176.870 -0.172 0.000 1.144 59 L CA 0.373 55.106 54.840 -0.178 0.000 0.892 59 L CB -0.345 41.568 42.059 -0.244 0.000 1.039 59 L HN 0.236 nan 8.230 nan 0.000 0.442 60 K N -0.968 119.362 120.400 -0.117 0.000 2.373 60 K HA 0.089 4.409 4.320 -0.000 0.000 0.200 60 K C 1.660 178.213 176.600 -0.077 0.000 1.054 60 K CA -0.128 56.088 56.287 -0.117 0.000 1.065 60 K CB 0.491 32.923 32.500 -0.113 0.000 0.886 60 K HN 0.228 nan 8.250 nan 0.000 0.546 61 Q N 1.027 120.845 119.800 0.030 0.000 2.170 61 Q HA -0.230 4.110 4.340 -0.000 0.000 0.203 61 Q C 2.063 178.210 176.000 0.245 0.000 0.976 61 Q CA 1.528 57.499 55.803 0.281 0.000 0.858 61 Q CB 0.111 29.251 28.738 0.669 0.000 0.907 61 Q HN 0.329 nan 8.270 nan 0.000 0.433 62 Q N 0.805 120.402 119.800 -0.338 0.000 2.016 62 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 62 Q C 1.817 177.693 176.000 -0.206 0.000 0.978 62 Q CA 1.569 56.950 55.803 -0.704 0.000 0.833 62 Q CB 0.036 28.048 28.738 -1.211 0.000 0.895 62 Q HN 0.148 nan 8.270 nan 0.000 0.427 63 E N 0.489 120.589 120.200 -0.167 0.000 2.204 63 E HA -0.181 4.168 4.350 -0.000 0.000 0.195 63 E C 1.640 178.247 176.600 0.011 0.000 0.990 63 E CA 1.271 57.624 56.400 -0.078 0.000 0.821 63 E CB 0.020 29.664 29.700 -0.093 0.000 0.750 63 E HN 0.269 nan 8.360 nan 0.000 0.477 64 K N -0.542 119.899 120.400 0.069 0.000 2.116 64 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 64 K C 2.027 178.846 176.600 0.365 0.000 1.052 64 K CA 0.888 57.266 56.287 0.151 0.000 0.952 64 K CB -0.116 32.385 32.500 0.001 0.000 0.729 64 K HN 0.199 nan 8.250 nan 0.000 0.446 65 L N 1.112 122.624 121.223 0.481 0.000 2.141 65 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 65 L C 1.849 178.839 176.870 0.201 0.000 1.094 65 L CA 1.778 56.842 54.840 0.373 0.000 0.763 65 L CB -0.543 41.743 42.059 0.379 0.000 0.908 65 L HN 0.083 nan 8.230 nan 0.000 0.437 66 T N -0.312 114.325 114.554 0.139 0.000 2.803 66 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 66 T C 1.796 176.516 174.700 0.032 0.000 1.052 66 T CA 1.965 64.106 62.100 0.068 0.000 1.136 66 T CB -0.237 68.644 68.868 0.022 0.000 0.864 66 T HN 0.311 nan 8.240 nan 0.000 0.467 67 L N 0.113 121.370 121.223 0.057 0.000 2.130 67 L HA 0.067 4.407 4.340 -0.000 0.000 0.200 67 L C 1.897 178.786 176.870 0.032 0.000 1.075 67 L CA 1.216 56.076 54.840 0.033 0.000 0.768 67 L CB 0.112 42.197 42.059 0.042 0.000 0.933 67 L HN 0.017 nan 8.230 nan 0.000 0.451 68 D N -0.836 119.623 120.400 0.098 0.000 2.271 68 D HA -0.001 4.639 4.640 -0.000 0.000 0.206 68 D C 1.976 178.303 176.300 0.044 0.000 0.967 68 D CA 1.000 55.061 54.000 0.102 0.000 0.867 68 D CB -0.334 40.597 40.800 0.220 0.000 0.960 68 D HN 0.377 nan 8.370 nan 0.000 0.509 69 G N 2.428 111.251 108.800 0.040 0.000 2.545 69 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 69 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 69 G C -0.593 174.183 174.900 -0.206 0.000 1.218 69 G CA 0.867 45.971 45.100 0.006 0.000 0.787 69 G HN 0.305 nan 8.290 nan 0.000 0.571 70 P HA 0.085 nan 4.420 nan 0.000 0.226 70 P C 1.488 178.613 177.300 -0.292 0.000 1.153 70 P CA 1.483 64.136 63.100 -0.745 0.000 0.777 70 P CB 0.015 31.277 31.700 -0.731 0.000 0.794 71 A N -0.415 122.311 122.820 -0.156 0.000 2.208 71 A HA 0.393 4.713 4.320 -0.000 0.000 0.209 71 A C 1.922 179.488 177.584 -0.031 0.000 1.161 71 A CA 1.050 53.045 52.037 -0.069 0.000 0.782 71 A CB -1.235 17.747 19.000 -0.029 0.000 0.816 71 A HN 0.276 nan 8.150 nan 0.000 0.477 72 G N -0.455 108.329 108.800 -0.026 0.000 2.284 72 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.247 72 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.247 72 G C 0.851 175.776 174.900 0.041 0.000 1.012 72 G CA 0.523 45.629 45.100 0.010 0.000 0.618 72 G HN 0.369 nan 8.290 nan 0.000 0.521 73 K N 2.036 122.469 120.400 0.054 0.000 2.630 73 K HA 0.235 4.555 4.320 -0.000 0.000 0.204 73 K C 1.774 178.461 176.600 0.146 0.000 1.024 73 K CA 0.700 57.044 56.287 0.096 0.000 1.157 73 K CB -0.080 32.477 32.500 0.096 0.000 0.899 73 K HN 0.515 nan 8.250 nan 0.000 0.501 74 G N 0.857 109.712 108.800 0.090 0.000 3.048 74 G HA2 0.450 4.410 3.960 -0.000 0.000 0.151 74 G HA3 0.450 4.410 3.960 -0.000 0.000 0.151 74 G C -0.617 174.221 174.900 -0.102 0.000 1.803 74 G CA 0.241 45.362 45.100 0.034 0.000 1.047 74 G HN 0.326 nan 8.290 nan 0.000 0.513 75 A N -1.939 120.683 122.820 -0.329 0.000 2.590 75 A HA 0.507 4.827 4.320 -0.000 0.000 0.296 75 A C 0.006 177.387 177.584 -0.338 0.000 1.050 75 A CA 0.022 51.773 52.037 -0.477 0.000 0.697 75 A CB 0.493 18.705 19.000 -1.313 0.000 1.277 75 A HN 0.357 nan 8.150 nan 0.000 0.411 76 D N 0.229 120.504 120.400 -0.209 0.000 2.183 76 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 76 D C -0.052 176.151 176.300 -0.162 0.000 0.962 76 D CA 1.214 55.141 54.000 -0.122 0.000 0.849 76 D CB 0.210 40.989 40.800 -0.035 0.000 0.978 76 D HN 0.229 nan 8.370 nan 0.000 0.488 77 L N 1.584 122.672 121.223 -0.224 0.000 2.333 77 L HA 0.279 4.619 4.340 -0.000 0.000 0.280 77 L C -0.017 176.801 176.870 -0.086 0.000 1.004 77 L CA -1.048 53.676 54.840 -0.194 0.000 0.820 77 L CB 1.767 43.572 42.059 -0.423 0.000 1.247 77 L HN -0.165 nan 8.230 nan 0.000 0.416 78 V N 0.157 120.092 119.914 0.035 0.000 3.158 78 V HA 0.950 5.070 4.120 -0.000 0.000 0.315 78 V C -0.465 175.672 176.094 0.071 0.000 1.148 78 V CA -0.561 61.820 62.300 0.135 0.000 1.042 78 V CB 2.069 33.919 31.823 0.045 0.000 1.101 78 V HN 0.738 nan 8.190 nan 0.000 0.448 79 T N 1.625 116.175 114.554 -0.008 0.000 2.993 79 T HA 0.755 5.105 4.350 -0.000 0.000 0.312 79 T C -1.917 172.752 174.700 -0.051 0.000 1.115 79 T CA -0.066 61.823 62.100 -0.352 0.000 1.027 79 T CB 1.221 69.739 68.868 -0.582 0.000 1.116 79 T HN 1.697 nan 8.240 nan 0.000 0.464 80 W N 2.512 123.791 121.300 -0.035 0.000 3.057 80 W HA 0.655 5.315 4.660 -0.000 0.000 0.328 80 W C -3.415 173.121 176.519 0.027 0.000 1.232 80 W CA -2.027 55.311 57.345 -0.011 0.000 1.187 80 W CB -0.686 28.800 29.460 0.043 0.000 1.417 80 W HN 0.526 nan 8.180 nan 0.000 0.569 81 P HA 0.057 nan 4.420 nan 0.000 0.269 81 P C 0.718 178.206 177.300 0.313 0.000 1.215 81 P CA 0.559 63.761 63.100 0.170 0.000 0.780 81 P CB 0.387 32.072 31.700 -0.024 0.000 0.898 82 H N 0.666 119.831 119.070 0.158 0.000 2.521 82 H HA -0.111 4.445 4.556 -0.000 0.000 0.286 82 H C 1.159 176.555 175.328 0.113 0.000 1.034 82 H CA 1.071 57.218 56.048 0.164 0.000 1.278 82 H CB -0.496 29.333 29.762 0.112 0.000 1.386 82 H HN 0.353 nan 8.280 nan 0.000 0.567 83 D N 1.473 121.618 120.400 -0.426 0.000 2.263 83 D HA -0.203 4.436 4.640 -0.000 0.000 0.208 83 D C 1.598 177.857 176.300 -0.069 0.000 0.971 83 D CA 0.768 54.583 54.000 -0.308 0.000 0.867 83 D CB -0.297 40.441 40.800 -0.102 0.000 0.929 83 D HN 0.442 nan 8.370 nan 0.000 0.492 84 R N -0.536 119.968 120.500 0.006 0.000 2.388 84 R HA 0.245 4.585 4.340 -0.000 0.000 0.247 84 R C -0.004 176.290 176.300 -0.011 0.000 0.931 84 R CA -0.437 55.654 56.100 -0.014 0.000 1.082 84 R CB 0.142 30.372 30.300 -0.117 0.000 1.135 84 R HN 0.065 nan 8.270 nan 0.000 0.525 85 L N 0.128 121.316 121.223 -0.059 0.000 2.334 85 L HA 0.376 4.716 4.340 -0.000 0.000 0.286 85 L C 0.565 177.151 176.870 -0.474 0.000 1.108 85 L CA 0.671 55.361 54.840 -0.249 0.000 0.875 85 L CB 0.825 42.740 42.059 -0.240 0.000 1.246 85 L HN 0.269 nan 8.230 nan 0.000 0.439 86 G N 2.614 111.018 108.800 -0.660 0.000 4.399 86 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.158 86 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.158 86 G C 0.809 175.361 174.900 -0.579 0.000 1.911 86 G CA 0.190 44.653 45.100 -1.062 0.000 0.926 86 G HN 0.469 nan 8.290 nan 0.000 0.292 87 E N 1.050 121.052 120.200 -0.331 0.000 2.070 87 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 87 E C 2.632 179.127 176.600 -0.175 0.000 1.004 87 E CA 2.118 58.397 56.400 -0.201 0.000 0.805 87 E CB -0.223 29.392 29.700 -0.142 0.000 0.744 87 E HN 0.562 nan 8.360 nan 0.000 0.451 88 A N 0.396 123.114 122.820 -0.171 0.000 1.877 88 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 88 A C 2.429 179.931 177.584 -0.137 0.000 1.186 88 A CA 1.581 53.572 52.037 -0.076 0.000 0.620 88 A CB -0.715 18.331 19.000 0.075 0.000 0.822 88 A HN 0.232 nan 8.150 nan 0.000 0.443 89 V N -0.413 119.312 119.914 -0.315 0.000 2.343 89 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 89 V C 2.714 178.725 176.094 -0.138 0.000 1.051 89 V CA 2.457 64.569 62.300 -0.313 0.000 1.036 89 V CB -1.204 30.278 31.823 -0.569 0.000 0.654 89 V HN 0.590 nan 8.190 nan 0.000 0.451 90 T N -0.616 113.840 114.554 -0.163 0.000 2.867 90 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 90 T C 1.668 176.349 174.700 -0.031 0.000 1.057 90 T CA 1.054 63.115 62.100 -0.066 0.000 1.136 90 T CB -0.174 68.644 68.868 -0.083 0.000 0.874 90 T HN 0.445 nan 8.240 nan 0.000 0.466 91 K N 0.486 120.863 120.400 -0.039 0.000 2.487 91 K HA 0.223 4.543 4.320 -0.000 0.000 0.192 91 K C 1.301 177.934 176.600 0.055 0.000 1.027 91 K CA 0.270 56.560 56.287 0.006 0.000 1.054 91 K CB 0.205 32.703 32.500 -0.002 0.000 0.824 91 K HN 0.378 nan 8.250 nan 0.000 0.510 92 G N 1.744 110.565 108.800 0.034 0.000 2.198 92 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 92 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 92 G C 0.576 175.515 174.900 0.065 0.000 1.025 92 G CA 0.100 45.227 45.100 0.045 0.000 0.769 92 G HN 0.296 nan 8.290 nan 0.000 0.507 93 L N -1.874 119.408 121.223 0.099 0.000 2.418 93 L HA 0.332 4.671 4.340 -0.000 0.000 0.218 93 L C 0.824 177.747 176.870 0.088 0.000 1.125 93 L CA 0.457 55.403 54.840 0.176 0.000 0.835 93 L CB -0.020 42.173 42.059 0.223 0.000 0.953 93 L HN 0.205 nan 8.230 nan 0.000 0.454 94 L N -0.326 120.920 121.223 0.039 0.000 2.401 94 L HA 0.358 4.698 4.340 -0.000 0.000 0.266 94 L C -0.249 176.727 176.870 0.177 0.000 0.991 94 L CA -0.296 54.594 54.840 0.083 0.000 0.818 94 L CB 1.928 44.019 42.059 0.053 0.000 1.321 94 L HN 0.028 nan 8.230 nan 0.000 0.413 95 Q N 3.667 123.533 119.800 0.109 0.000 2.306 95 Q HA 0.703 5.043 4.340 -0.000 0.000 0.265 95 Q C -2.678 173.217 176.000 -0.175 0.000 1.022 95 Q CA -1.940 53.875 55.803 0.020 0.000 0.853 95 Q CB 2.169 30.857 28.738 -0.083 0.000 1.327 95 Q HN 0.287 nan 8.270 nan 0.000 0.449 96 P HA 0.090 nan 4.420 nan 0.000 0.272 96 P C -0.643 176.465 177.300 -0.321 0.000 1.254 96 P CA -0.099 62.561 63.100 -0.733 0.000 0.795 96 P CB 0.344 31.672 31.700 -0.621 0.000 1.022 97 I N -3.458 116.961 120.570 -0.251 0.000 2.730 97 I HA 0.543 4.713 4.170 -0.000 0.000 0.298 97 I C -0.776 175.282 176.117 -0.098 0.000 1.089 97 I CA -1.234 59.989 61.300 -0.130 0.000 1.041 97 I CB 1.988 39.943 38.000 -0.075 0.000 1.235 97 I HN -0.022 nan 8.210 nan 0.000 0.423 98 Q N 4.289 124.049 119.800 -0.067 0.000 2.372 98 Q HA 0.727 5.067 4.340 -0.000 0.000 0.259 98 Q C -0.740 175.250 176.000 -0.016 0.000 0.993 98 Q CA -0.553 55.224 55.803 -0.044 0.000 0.854 98 Q CB 1.985 30.695 28.738 -0.046 0.000 1.231 98 Q HN 0.718 nan 8.270 nan 0.000 0.462 99 V N -1.473 118.441 119.914 0.001 0.000 2.876 99 V HA 0.620 4.740 4.120 -0.000 0.000 0.312 99 V C -0.493 175.619 176.094 0.030 0.000 1.085 99 V CA -1.169 61.148 62.300 0.028 0.000 0.945 99 V CB 2.307 34.165 31.823 0.058 0.000 1.017 99 V HN 0.533 nan 8.190 nan 0.000 0.428 100 D N 2.260 122.681 120.400 0.033 0.000 2.378 100 D HA 0.008 4.648 4.640 -0.000 0.000 0.238 100 D C 0.984 177.300 176.300 0.027 0.000 1.180 100 D CA 0.480 54.495 54.000 0.024 0.000 0.895 100 D CB 0.698 41.511 40.800 0.022 0.000 1.192 100 D HN 0.851 nan 8.370 nan 0.000 0.438 101 N N 0.382 119.093 118.700 0.018 0.000 2.192 101 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 101 N C 1.613 177.130 175.510 0.012 0.000 1.013 101 N CA 1.949 55.009 53.050 0.016 0.000 0.863 101 N CB 0.127 38.619 38.487 0.008 0.000 0.990 101 N HN 0.359 nan 8.380 nan 0.000 0.430 102 S N -1.131 114.573 115.700 0.007 0.000 2.355 102 S HA -0.070 4.400 4.470 -0.000 0.000 0.222 102 S C 2.084 176.675 174.600 -0.015 0.000 1.031 102 S CA 1.230 59.426 58.200 -0.007 0.000 0.993 102 S CB -0.789 62.407 63.200 -0.007 0.000 0.859 102 S HN 0.096 nan 8.310 nan 0.000 0.453 103 V N 3.473 123.397 119.914 0.016 0.000 2.358 103 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 103 V C 2.852 179.011 176.094 0.107 0.000 1.047 103 V CA 2.015 64.343 62.300 0.046 0.000 1.035 103 V CB -0.834 31.048 31.823 0.099 0.000 0.658 103 V HN 0.572 nan 8.190 nan 0.000 0.452 104 K N 1.240 121.711 120.400 0.117 0.000 2.009 104 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 104 K C 1.698 178.375 176.600 0.127 0.000 1.049 104 K CA 2.538 58.921 56.287 0.160 0.000 0.929 104 K CB -0.702 31.852 32.500 0.091 0.000 0.714 104 K HN 0.551 nan 8.250 nan 0.000 0.440 105 N N 0.683 119.403 118.700 0.033 0.000 2.585 105 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 105 N C 1.405 176.859 175.510 -0.094 0.000 1.102 105 N CA 0.452 53.495 53.050 -0.011 0.000 0.920 105 N CB 0.066 38.541 38.487 -0.021 0.000 0.963 105 N HN 0.377 nan 8.380 nan 0.000 0.447 106 Q N -0.599 119.069 119.800 -0.219 0.000 2.482 106 Q HA 0.048 4.388 4.340 -0.000 0.000 0.209 106 Q C -0.731 174.811 176.000 -0.763 0.000 0.961 106 Q CA 0.526 56.020 55.803 -0.515 0.000 0.945 106 Q CB 0.277 28.594 28.738 -0.702 0.000 1.012 106 Q HN 0.256 nan 8.270 nan 0.000 0.515 107 F N -1.070 118.865 119.950 -0.024 0.000 2.588 107 F HA 0.239 4.766 4.527 -0.000 0.000 0.314 107 F C -0.002 175.784 175.800 -0.024 0.000 1.069 107 F CA -1.769 56.214 58.000 -0.028 0.000 0.931 107 F CB 1.148 40.134 39.000 -0.024 0.000 1.260 107 F HN -0.246 nan 8.300 nan 0.000 0.465 108 D N 0.981 121.490 120.400 0.180 0.000 2.449 108 D HA 0.007 4.647 4.640 -0.000 0.000 0.236 108 D C 0.654 176.998 176.300 0.074 0.000 1.149 108 D CA 0.462 54.513 54.000 0.085 0.000 0.878 108 D CB 0.734 41.567 40.800 0.056 0.000 1.198 108 D HN 0.426 nan 8.370 nan 0.000 0.446 109 D N 1.738 122.166 120.400 0.047 0.000 2.084 109 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 109 D C 2.142 178.460 176.300 0.029 0.000 0.990 109 D CA 0.902 54.925 54.000 0.039 0.000 0.826 109 D CB -0.211 40.608 40.800 0.030 0.000 0.971 109 D HN 0.216 nan 8.370 nan 0.000 0.453 110 V N 1.584 121.510 119.914 0.020 0.000 2.332 110 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 110 V C 2.549 178.627 176.094 -0.027 0.000 1.055 110 V CA 1.915 64.218 62.300 0.005 0.000 1.038 110 V CB -0.917 30.910 31.823 0.007 0.000 0.651 110 V HN 0.180 nan 8.190 nan 0.000 0.450 111 A N -0.499 122.306 122.820 -0.024 0.000 1.898 111 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 111 A C 2.229 179.782 177.584 -0.051 0.000 1.181 111 A CA 1.948 53.949 52.037 -0.060 0.000 0.620 111 A CB -0.423 18.554 19.000 -0.039 0.000 0.819 111 A HN 0.407 nan 8.150 nan 0.000 0.442 112 M N -0.397 119.200 119.600 -0.005 0.000 2.175 112 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 112 M C 2.091 178.410 176.300 0.031 0.000 1.063 112 M CA 1.759 57.066 55.300 0.012 0.000 1.119 112 M CB -1.106 31.524 32.600 0.050 0.000 1.377 112 M HN 0.560 nan 8.290 nan 0.000 0.415 113 K N 0.470 120.888 120.400 0.030 0.000 2.097 113 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 113 K C 1.895 178.531 176.600 0.060 0.000 1.050 113 K CA 1.352 57.667 56.287 0.046 0.000 0.938 113 K CB 0.019 32.543 32.500 0.041 0.000 0.718 113 K HN 0.216 nan 8.250 nan 0.000 0.442 114 A N 0.605 123.431 122.820 0.009 0.000 2.019 114 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 114 A C 1.632 179.283 177.584 0.112 0.000 1.164 114 A CA 1.041 53.075 52.037 -0.006 0.000 0.644 114 A CB -0.148 18.636 19.000 -0.361 0.000 0.805 114 A HN 0.270 nan 8.150 nan 0.000 0.449 115 L N -0.309 120.972 121.223 0.097 0.000 2.607 115 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 115 L C 0.288 177.285 176.870 0.212 0.000 1.123 115 L CA 0.781 55.724 54.840 0.170 0.000 0.890 115 L CB -0.351 41.794 42.059 0.142 0.000 1.103 115 L HN 0.063 nan 8.230 nan 0.000 0.468 116 T N -0.157 114.507 114.554 0.184 0.000 2.743 116 T HA 0.287 4.637 4.350 -0.000 0.000 0.292 116 T C -1.160 173.686 174.700 0.243 0.000 0.972 116 T CA -0.103 62.122 62.100 0.208 0.000 0.967 116 T CB 0.692 69.631 68.868 0.118 0.000 0.926 116 T HN -0.024 nan 8.240 nan 0.000 0.459 117 Y N 1.819 122.211 120.300 0.154 0.000 2.326 117 Y HA 0.487 5.037 4.550 -0.000 0.000 0.331 117 Y C 0.698 176.654 175.900 0.093 0.000 0.962 117 Y CA -0.629 57.498 58.100 0.046 0.000 1.167 117 Y CB 0.901 39.281 38.460 -0.133 0.000 1.148 117 Y HN 0.885 nan 8.280 nan 0.000 0.463 118 G N 3.706 112.195 108.800 -0.518 0.000 2.272 118 G HA2 0.031 3.991 3.960 -0.000 0.000 0.280 118 G HA3 0.031 3.991 3.960 -0.000 0.000 0.280 118 G C 1.014 175.835 174.900 -0.131 0.000 1.067 118 G CA 0.728 45.585 45.100 -0.406 0.000 0.902 118 G HN 2.109 nan 8.290 nan 0.000 0.500 119 G N -1.550 107.213 108.800 -0.061 0.000 2.234 119 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 119 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 119 G C 0.431 175.340 174.900 0.014 0.000 0.987 119 G CA 1.266 46.355 45.100 -0.018 0.000 0.625 119 G HN 1.240 nan 8.290 nan 0.000 0.532 120 K N -0.181 120.256 120.400 0.061 0.000 2.123 120 K HA 0.748 5.068 4.320 -0.000 0.000 0.259 120 K C -0.476 176.175 176.600 0.086 0.000 0.960 120 K CA -1.006 55.302 56.287 0.034 0.000 0.872 120 K CB 2.330 34.840 32.500 0.016 0.000 1.079 120 K HN 0.161 nan 8.250 nan 0.000 0.440 121 L N 2.212 123.407 121.223 -0.047 0.000 2.289 121 L HA 0.259 4.599 4.340 -0.000 0.000 0.285 121 L C -0.845 175.952 176.870 -0.122 0.000 1.049 121 L CA 0.152 54.998 54.840 0.009 0.000 0.804 121 L CB 0.528 42.583 42.059 -0.006 0.000 1.195 121 L HN 0.644 nan 8.230 nan 0.000 0.428 122 Y N 3.890 124.215 120.300 0.041 0.000 2.531 122 Y HA 0.650 5.200 4.550 -0.000 0.000 0.249 122 Y C 1.002 176.981 175.900 0.131 0.000 1.168 122 Y CA 0.203 58.326 58.100 0.039 0.000 1.226 122 Y CB 0.850 39.289 38.460 -0.034 0.000 1.177 122 Y HN 0.746 nan 8.280 nan 0.000 0.527 123 G N -0.471 108.448 108.800 0.199 0.000 2.316 123 G HA2 0.390 4.350 3.960 -0.000 0.000 0.296 123 G HA3 0.390 4.350 3.960 -0.000 0.000 0.296 123 G C -2.524 172.352 174.900 -0.040 0.000 1.399 123 G CA -0.949 44.236 45.100 0.140 0.000 0.833 123 G HN -0.179 nan 8.290 nan 0.000 0.565 124 L N 1.920 123.060 121.223 -0.138 0.000 2.322 124 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 124 L C -1.949 174.662 176.870 -0.431 0.000 1.014 124 L CA -2.192 52.413 54.840 -0.392 0.000 0.815 124 L CB 1.797 43.649 42.059 -0.345 0.000 1.247 124 L HN 0.345 nan 8.230 nan 0.000 0.421 125 P HA 0.221 nan 4.420 nan 0.000 0.280 125 P C -0.477 176.639 177.300 -0.306 0.000 1.244 125 P CA -0.322 62.540 63.100 -0.397 0.000 0.784 125 P CB 1.411 32.926 31.700 -0.308 0.000 0.913 126 K N 1.489 121.698 120.400 -0.319 0.000 2.244 126 K HA 0.354 4.674 4.320 -0.000 0.000 0.200 126 K C 0.682 177.191 176.600 -0.153 0.000 1.052 126 K CA 0.479 56.609 56.287 -0.262 0.000 0.980 126 K CB 0.485 32.707 32.500 -0.463 0.000 0.838 126 K HN 0.555 nan 8.250 nan 0.000 0.481 127 A N 1.302 124.028 122.820 -0.157 0.000 2.520 127 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 127 A C -1.729 175.820 177.584 -0.058 0.000 1.051 127 A CA -0.664 51.325 52.037 -0.079 0.000 0.690 127 A CB 1.363 20.320 19.000 -0.071 0.000 1.281 127 A HN 0.202 nan 8.150 nan 0.000 0.402 128 I N 1.355 121.914 120.570 -0.018 0.000 2.465 128 I HA 0.702 4.872 4.170 -0.000 0.000 0.291 128 I C -0.666 175.471 176.117 0.034 0.000 1.014 128 I CA -0.162 61.138 61.300 0.001 0.000 1.093 128 I CB 1.538 39.535 38.000 -0.005 0.000 1.267 128 I HN 0.862 nan 8.210 nan 0.000 0.431 129 E N 5.022 125.270 120.200 0.079 0.000 2.352 129 E HA 0.556 4.906 4.350 -0.000 0.000 0.280 129 E C -1.846 174.857 176.600 0.172 0.000 0.930 129 E CA -0.891 55.578 56.400 0.116 0.000 0.765 129 E CB 1.952 31.793 29.700 0.235 0.000 1.219 129 E HN 0.444 nan 8.360 nan 0.000 0.434 130 S N 1.622 117.396 115.700 0.123 0.000 2.569 130 S HA 0.528 4.998 4.470 -0.000 0.000 0.280 130 S C -0.191 174.459 174.600 0.084 0.000 1.111 130 S CA -0.345 57.938 58.200 0.139 0.000 0.887 130 S CB 1.463 64.732 63.200 0.115 0.000 1.095 130 S HN 0.892 nan 8.310 nan 0.000 0.476 131 V N 1.678 121.625 119.914 0.056 0.000 3.096 131 V HA 0.871 4.991 4.120 -0.000 0.000 0.306 131 V C 0.540 176.675 176.094 0.069 0.000 1.088 131 V CA 0.317 62.628 62.300 0.018 0.000 1.129 131 V CB 0.020 31.840 31.823 -0.004 0.000 1.014 131 V HN 1.437 nan 8.190 nan 0.000 0.486 132 A N 2.932 125.814 122.820 0.103 0.000 2.529 132 A HA 0.753 5.073 4.320 -0.000 0.000 0.296 132 A C -1.015 176.518 177.584 -0.084 0.000 1.205 132 A CA -0.858 51.158 52.037 -0.035 0.000 0.671 132 A CB 1.184 20.105 19.000 -0.131 0.000 1.301 132 A HN 1.303 nan 8.150 nan 0.000 0.450 133 L N 1.227 122.371 121.223 -0.133 0.000 2.363 133 L HA 0.508 4.847 4.340 -0.000 0.000 0.286 133 L C -1.001 175.865 176.870 -0.005 0.000 1.106 133 L CA 0.189 54.990 54.840 -0.065 0.000 0.859 133 L CB -0.619 41.404 42.059 -0.061 0.000 1.223 133 L HN 0.412 nan 8.230 nan 0.000 0.446 134 I N 6.339 126.899 120.570 -0.016 0.000 2.353 134 I HA 0.343 4.512 4.170 -0.000 0.000 0.293 134 I C -0.562 175.612 176.117 0.096 0.000 0.992 134 I CA -0.267 61.010 61.300 -0.039 0.000 1.268 134 I CB 0.804 38.763 38.000 -0.068 0.000 1.387 134 I HN 0.530 nan 8.210 nan 0.000 0.478 135 Y N 3.470 123.828 120.300 0.097 0.000 2.553 135 Y HA 0.545 5.095 4.550 -0.000 0.000 0.347 135 Y C -0.541 175.545 175.900 0.311 0.000 1.019 135 Y CA -1.443 56.794 58.100 0.229 0.000 1.032 135 Y CB 0.879 39.384 38.460 0.075 0.000 1.284 135 Y HN 0.437 nan 8.280 nan 0.000 0.466 136 N N 2.845 121.771 118.700 0.377 0.000 2.402 136 N HA 0.098 4.837 4.740 -0.000 0.000 0.252 136 N C 0.292 175.886 175.510 0.141 0.000 1.118 136 N CA 0.057 53.152 53.050 0.075 0.000 0.945 136 N CB 0.885 39.256 38.487 -0.193 0.000 1.147 136 N HN 0.863 nan 8.380 nan 0.000 0.495 137 K N 2.168 122.620 120.400 0.087 0.000 2.280 137 K HA -0.116 4.203 4.320 -0.000 0.000 0.202 137 K C 1.059 177.715 176.600 0.092 0.000 1.047 137 K CA 0.980 57.350 56.287 0.137 0.000 0.942 137 K CB 0.223 32.760 32.500 0.061 0.000 0.739 137 K HN 0.608 nan 8.250 nan 0.000 0.457 138 K N 0.098 120.524 120.400 0.044 0.000 2.404 138 K HA 0.062 4.382 4.320 -0.000 0.000 0.194 138 K C 1.407 178.028 176.600 0.036 0.000 1.023 138 K CA 0.376 56.680 56.287 0.029 0.000 1.094 138 K CB 0.325 32.827 32.500 0.003 0.000 0.841 138 K HN 0.100 nan 8.250 nan 0.000 0.523 139 L N -0.226 121.033 121.223 0.060 0.000 2.577 139 L HA 0.355 4.695 4.340 -0.000 0.000 0.225 139 L C 0.842 177.784 176.870 0.121 0.000 1.053 139 L CA -0.042 54.847 54.840 0.082 0.000 0.866 139 L CB 0.432 42.538 42.059 0.079 0.000 1.132 139 L HN 0.149 nan 8.230 nan 0.000 0.486 140 M N -0.173 119.506 119.600 0.131 0.000 2.142 140 M HA 0.362 4.842 4.480 -0.000 0.000 0.299 140 M C 0.761 177.086 176.300 0.041 0.000 0.960 140 M CA -0.358 54.978 55.300 0.060 0.000 0.920 140 M CB 1.903 34.496 32.600 -0.011 0.000 1.541 140 M HN 0.051 nan 8.290 nan 0.000 0.429 141 G N 3.520 112.315 108.800 -0.009 0.000 2.770 141 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.212 141 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.212 141 G C 0.122 174.983 174.900 -0.065 0.000 1.357 141 G CA 0.565 45.660 45.100 -0.009 0.000 0.837 141 G HN 0.628 nan 8.290 nan 0.000 0.610 142 Q N -0.248 119.473 119.800 -0.132 0.000 2.297 142 Q HA 0.469 4.809 4.340 -0.000 0.000 0.268 142 Q C -0.041 175.766 176.000 -0.322 0.000 1.045 142 Q CA -0.885 54.807 55.803 -0.186 0.000 0.861 142 Q CB 1.923 30.596 28.738 -0.108 0.000 1.344 142 Q HN 0.407 nan 8.270 nan 0.000 0.452 143 V N -0.641 119.047 119.914 -0.377 0.000 2.572 143 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 143 V C -2.089 173.844 176.094 -0.268 0.000 1.039 143 V CA -1.478 60.568 62.300 -0.423 0.000 1.055 143 V CB -0.237 31.361 31.823 -0.375 0.000 0.969 143 V HN 0.567 nan 8.190 nan 0.000 0.482 144 P HA 0.095 nan 4.420 nan 0.000 0.261 144 P C 0.735 177.968 177.300 -0.111 0.000 1.183 144 P CA 0.652 63.644 63.100 -0.179 0.000 0.761 144 P CB 0.954 32.541 31.700 -0.190 0.000 0.785 145 A N 3.655 126.432 122.820 -0.072 0.000 1.969 145 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 145 A C 1.161 178.738 177.584 -0.012 0.000 1.169 145 A CA 1.775 53.787 52.037 -0.043 0.000 0.635 145 A CB -0.746 18.236 19.000 -0.030 0.000 0.810 145 A HN 0.670 nan 8.150 nan 0.000 0.445 146 T N -6.658 107.901 114.554 0.009 0.000 2.907 146 T HA 0.446 4.795 4.350 -0.000 0.000 0.290 146 T C 0.519 175.284 174.700 0.108 0.000 1.066 146 T CA -0.089 62.049 62.100 0.064 0.000 1.012 146 T CB 0.826 69.737 68.868 0.072 0.000 1.184 146 T HN 0.231 nan 8.240 nan 0.000 0.522 147 Y N 0.844 121.190 120.300 0.076 0.000 2.207 147 Y HA -0.140 4.410 4.550 -0.000 0.000 0.287 147 Y C 1.925 177.925 175.900 0.166 0.000 1.156 147 Y CA 2.044 60.237 58.100 0.154 0.000 1.182 147 Y CB -0.297 38.279 38.460 0.193 0.000 0.979 147 Y HN 0.690 nan 8.280 nan 0.000 0.521 148 D N 0.106 120.584 120.400 0.129 0.000 2.144 148 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 148 D C 1.892 178.203 176.300 0.017 0.000 0.978 148 D CA 1.560 55.592 54.000 0.053 0.000 0.833 148 D CB -0.165 40.682 40.800 0.079 0.000 0.961 148 D HN 0.590 nan 8.370 nan 0.000 0.470 149 E N 0.255 120.466 120.200 0.018 0.000 2.072 149 E HA -0.136 4.213 4.350 -0.000 0.000 0.191 149 E C 2.162 178.769 176.600 0.011 0.000 0.985 149 E CA 0.207 56.616 56.400 0.016 0.000 0.801 149 E CB -0.063 29.636 29.700 -0.001 0.000 0.750 149 E HN 0.073 nan 8.360 nan 0.000 0.452 150 L N 0.348 121.552 121.223 -0.032 0.000 2.042 150 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 150 L C 2.066 178.912 176.870 -0.040 0.000 1.076 150 L CA 1.607 56.430 54.840 -0.028 0.000 0.749 150 L CB -0.403 41.643 42.059 -0.021 0.000 0.893 150 L HN 0.064 nan 8.230 nan 0.000 0.432 151 F N -0.713 119.025 119.950 -0.352 0.000 2.163 151 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 151 F C 2.475 178.106 175.800 -0.282 0.000 1.094 151 F CA 1.321 59.021 58.000 -0.500 0.000 1.290 151 F CB -0.095 38.491 39.000 -0.690 0.000 1.017 151 F HN 0.132 nan 8.300 nan 0.000 0.483 152 Q N -0.689 119.117 119.800 0.011 0.000 2.119 152 Q HA -0.247 4.093 4.340 -0.000 0.000 0.201 152 Q C 2.039 178.018 176.000 -0.036 0.000 0.972 152 Q CA 1.702 57.505 55.803 0.001 0.000 0.847 152 Q CB -1.153 27.609 28.738 0.039 0.000 0.903 152 Q HN 0.628 nan 8.270 nan 0.000 0.433 153 Y N 1.055 121.289 120.300 -0.110 0.000 2.165 153 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 153 Y C 2.171 178.007 175.900 -0.107 0.000 1.155 153 Y CA 1.829 59.879 58.100 -0.085 0.000 1.164 153 Y CB -0.254 38.172 38.460 -0.056 0.000 0.978 153 Y HN 0.115 nan 8.280 nan 0.000 0.513 154 A N 0.202 122.986 122.820 -0.060 0.000 1.902 154 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 154 A C 2.283 179.701 177.584 -0.277 0.000 1.181 154 A CA 1.917 53.860 52.037 -0.156 0.000 0.623 154 A CB -0.744 18.097 19.000 -0.266 0.000 0.818 154 A HN 0.512 nan 8.150 nan 0.000 0.443 155 K N -0.486 119.690 120.400 -0.374 0.000 2.097 155 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 155 K C 2.031 178.524 176.600 -0.179 0.000 1.049 155 K CA 1.101 57.229 56.287 -0.265 0.000 0.933 155 K CB -0.253 32.124 32.500 -0.205 0.000 0.717 155 K HN 0.401 nan 8.250 nan 0.000 0.442 156 A N 0.449 123.154 122.820 -0.191 0.000 2.066 156 A HA -0.072 4.247 4.320 -0.000 0.000 0.218 156 A C 1.219 178.668 177.584 -0.224 0.000 1.157 156 A CA 1.482 53.409 52.037 -0.183 0.000 0.670 156 A CB -0.197 18.698 19.000 -0.175 0.000 0.804 156 A HN 0.445 nan 8.150 nan 0.000 0.453 157 N N -0.962 117.567 118.700 -0.285 0.000 2.239 157 N HA 0.057 4.797 4.740 -0.000 0.000 0.208 157 N C -0.702 174.696 175.510 -0.187 0.000 1.200 157 N CA -0.272 52.609 53.050 -0.282 0.000 0.895 157 N CB 0.263 38.461 38.487 -0.482 0.000 1.085 157 N HN 0.174 nan 8.380 nan 0.000 0.500 158 N N 1.763 120.383 118.700 -0.134 0.000 2.416 158 N HA 0.038 4.778 4.740 -0.000 0.000 0.265 158 N C -0.571 174.790 175.510 -0.248 0.000 1.195 158 N CA 0.494 53.473 53.050 -0.120 0.000 0.943 158 N CB 0.707 39.253 38.487 0.098 0.000 1.115 158 N HN 0.130 nan 8.380 nan 0.000 0.481 159 K N 4.432 124.580 120.400 -0.421 0.000 2.679 159 K HA 0.270 4.590 4.320 -0.000 0.000 0.188 159 K C -1.764 174.582 176.600 -0.424 0.000 1.055 159 K CA -1.710 54.385 56.287 -0.321 0.000 1.006 159 K CB 1.189 33.560 32.500 -0.216 0.000 1.317 159 K HN 0.170 nan 8.250 nan 0.000 0.584 160 P HA -0.214 nan 4.420 nan 0.000 0.215 160 P C 0.228 177.456 177.300 -0.120 0.000 1.157 160 P CA 1.330 64.274 63.100 -0.261 0.000 0.874 160 P CB 0.310 31.997 31.700 -0.023 0.000 0.790 161 D N -0.298 120.050 120.400 -0.087 0.000 2.221 161 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 161 D C 1.566 177.835 176.300 -0.052 0.000 0.982 161 D CA 1.068 55.040 54.000 -0.046 0.000 0.857 161 D CB -0.324 40.453 40.800 -0.038 0.000 0.934 161 D HN 0.288 nan 8.370 nan 0.000 0.475 162 E N 0.092 120.238 120.200 -0.091 0.000 2.474 162 E HA 0.012 4.361 4.350 -0.000 0.000 0.195 162 E C 0.460 177.020 176.600 -0.066 0.000 1.039 162 E CA 0.086 56.441 56.400 -0.074 0.000 0.881 162 E CB 0.216 29.865 29.700 -0.085 0.000 0.970 162 E HN 0.167 nan 8.360 nan 0.000 0.486 163 Q N -0.101 119.647 119.800 -0.086 0.000 2.494 163 Q HA -0.217 4.123 4.340 -0.000 0.000 0.266 163 Q C 0.095 176.094 176.000 -0.001 0.000 1.053 163 Q CA 1.141 56.945 55.803 0.002 0.000 1.029 163 Q CB -2.612 26.165 28.738 0.065 0.000 1.423 163 Q HN 0.492 nan 8.270 nan 0.000 0.516 164 K N -0.588 119.703 120.400 -0.181 0.000 2.292 164 K HA 0.628 4.948 4.320 -0.000 0.000 0.257 164 K C -1.278 175.158 176.600 -0.273 0.000 0.940 164 K CA -0.612 55.613 56.287 -0.102 0.000 0.811 164 K CB 1.330 33.782 32.500 -0.080 0.000 1.120 164 K HN -0.033 nan 8.250 nan 0.000 0.428 165 Y N 0.891 121.207 120.300 0.028 0.000 2.536 165 Y HA 0.356 4.906 4.550 -0.000 0.000 0.347 165 Y C 1.183 177.121 175.900 0.063 0.000 1.000 165 Y CA -0.748 57.378 58.100 0.043 0.000 1.051 165 Y CB 2.635 41.147 38.460 0.087 0.000 1.259 165 Y HN 0.833 nan 8.280 nan 0.000 0.468 166 G N 0.490 109.405 108.800 0.191 0.000 2.411 166 G HA2 0.168 4.128 3.960 -0.000 0.000 0.213 166 G HA3 0.168 4.128 3.960 -0.000 0.000 0.213 166 G C -0.360 174.812 174.900 0.454 0.000 1.166 166 G CA 0.442 45.688 45.100 0.243 0.000 0.802 166 G HN 0.306 nan 8.290 nan 0.000 0.533 167 V N 0.699 120.852 119.914 0.398 0.000 2.569 167 V HA 0.561 4.681 4.120 -0.000 0.000 0.301 167 V C -1.428 174.866 176.094 0.334 0.000 1.044 167 V CA -0.667 61.868 62.300 0.392 0.000 0.874 167 V CB 1.943 34.061 31.823 0.492 0.000 1.002 167 V HN 0.190 nan 8.190 nan 0.000 0.424 168 L N 7.176 128.511 121.223 0.188 0.000 2.409 168 L HA 0.927 5.267 4.340 -0.000 0.000 0.272 168 L C -1.012 175.912 176.870 0.090 0.000 0.980 168 L CA -0.181 54.659 54.840 -0.001 0.000 0.826 168 L CB 1.578 43.466 42.059 -0.286 0.000 1.268 168 L HN 0.638 nan 8.230 nan 0.000 0.407 169 F N 1.133 120.930 119.950 -0.255 0.000 2.745 169 F HA 0.524 5.051 4.527 -0.000 0.000 0.316 169 F C -0.408 175.220 175.800 -0.287 0.000 1.155 169 F CA -1.048 56.797 58.000 -0.258 0.000 0.937 169 F CB 1.144 40.024 39.000 -0.200 0.000 1.361 169 F HN 0.466 nan 8.300 nan 0.000 0.472 170 E N 1.150 121.046 120.200 -0.507 0.000 1.999 170 E HA 0.372 4.722 4.350 -0.000 0.000 0.296 170 E C 0.632 176.931 176.600 -0.501 0.000 1.187 170 E CA 0.050 56.138 56.400 -0.520 0.000 1.229 170 E CB 0.082 29.378 29.700 -0.673 0.000 1.131 170 E HN 0.720 nan 8.360 nan 0.000 0.478 171 A N 2.985 125.312 122.820 -0.822 0.000 2.235 171 A HA -0.107 4.213 4.320 -0.000 0.000 0.208 171 A C 1.215 178.947 177.584 0.247 0.000 1.172 171 A CA 0.368 52.013 52.037 -0.653 0.000 0.786 171 A CB -0.153 18.167 19.000 -1.133 0.000 0.804 171 A HN 0.485 nan 8.150 nan 0.000 0.479 172 N N -0.680 118.175 118.700 0.258 0.000 2.214 172 N HA 0.025 4.765 4.740 -0.000 0.000 0.214 172 N C -0.455 175.111 175.510 0.094 0.000 1.132 172 N CA -0.215 53.013 53.050 0.296 0.000 0.856 172 N CB -0.216 38.382 38.487 0.186 0.000 1.020 172 N HN 0.194 nan 8.380 nan 0.000 0.509 173 N N 0.659 119.402 118.700 0.072 0.000 2.518 173 N HA 0.118 4.857 4.740 -0.000 0.000 0.254 173 N C -0.274 175.372 175.510 0.227 0.000 0.979 173 N CA -0.648 52.488 53.050 0.142 0.000 0.930 173 N CB 0.483 39.127 38.487 0.261 0.000 1.152 173 N HN -0.057 nan 8.380 nan 0.000 0.505 174 F N 4.632 124.516 119.950 -0.111 0.000 2.236 174 F HA -0.216 4.311 4.527 -0.000 0.000 0.302 174 F C 1.523 177.595 175.800 0.454 0.000 1.073 174 F CA 1.317 59.324 58.000 0.013 0.000 1.336 174 F CB -0.298 38.713 39.000 0.018 0.000 1.040 174 F HN 0.692 nan 8.300 nan 0.000 0.507 175 Y N -0.511 120.017 120.300 0.380 0.000 2.181 175 Y HA -0.297 4.253 4.550 -0.000 0.000 0.288 175 Y C 1.894 177.912 175.900 0.197 0.000 1.146 175 Y CA 2.178 60.466 58.100 0.312 0.000 1.164 175 Y CB -0.828 37.679 38.460 0.078 0.000 0.982 175 Y HN 0.126 nan 8.280 nan 0.000 0.515 176 Y N -0.487 119.992 120.300 0.298 0.000 2.243 176 Y HA -0.112 4.437 4.550 -0.000 0.000 0.293 176 Y C 2.769 178.908 175.900 0.398 0.000 1.124 176 Y CA 1.694 59.998 58.100 0.340 0.000 1.159 176 Y CB -0.945 37.828 38.460 0.520 0.000 1.008 176 Y HN 0.208 nan 8.280 nan 0.000 0.527 177 T N -2.837 112.038 114.554 0.534 0.000 3.148 177 T HA -0.161 4.189 4.350 -0.000 0.000 0.253 177 T C 1.606 176.482 174.700 0.293 0.000 1.134 177 T CA 0.297 62.680 62.100 0.473 0.000 1.051 177 T CB -0.882 68.419 68.868 0.722 0.000 0.959 177 T HN 0.393 nan 8.240 nan 0.000 0.525 178 Y N 2.858 123.088 120.300 -0.117 0.000 2.151 178 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 178 Y C 1.720 177.530 175.900 -0.150 0.000 1.166 178 Y CA 1.646 59.501 58.100 -0.409 0.000 1.163 178 Y CB -0.835 36.869 38.460 -1.260 0.000 0.974 178 Y HN 0.438 nan 8.280 nan 0.000 0.511 179 F N -0.909 118.895 119.950 -0.244 0.000 2.202 179 F HA -0.165 4.362 4.527 -0.000 0.000 0.301 179 F C 1.645 177.309 175.800 -0.226 0.000 1.082 179 F CA 1.401 59.233 58.000 -0.281 0.000 1.313 179 F CB -1.221 37.693 39.000 -0.143 0.000 1.024 179 F HN 0.028 nan 8.300 nan 0.000 0.495 180 L N -1.049 119.592 121.223 -0.970 0.000 2.093 180 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 180 L C 2.323 178.917 176.870 -0.460 0.000 1.085 180 L CA 1.078 55.472 54.840 -0.743 0.000 0.755 180 L CB -0.772 40.886 42.059 -0.668 0.000 0.904 180 L HN 0.131 nan 8.230 nan 0.000 0.435 181 F N -0.009 119.738 119.950 -0.339 0.000 2.128 181 F HA -0.081 4.446 4.527 -0.000 0.000 0.295 181 F C 2.636 178.249 175.800 -0.312 0.000 1.100 181 F CA 1.098 58.967 58.000 -0.219 0.000 1.260 181 F CB -0.789 38.200 39.000 -0.018 0.000 1.009 181 F HN -0.042 nan 8.300 nan 0.000 0.476 182 A N 0.133 122.721 122.820 -0.386 0.000 1.933 182 A HA -0.062 4.257 4.320 -0.000 0.000 0.218 182 A C 2.399 179.872 177.584 -0.186 0.000 1.175 182 A CA 1.574 53.394 52.037 -0.361 0.000 0.628 182 A CB -1.299 17.346 19.000 -0.592 0.000 0.814 182 A HN 0.302 nan 8.150 nan 0.000 0.444 183 A N -0.132 122.574 122.820 -0.191 0.000 1.917 183 A HA -0.198 4.121 4.320 -0.000 0.000 0.219 183 A C 1.934 179.447 177.584 -0.119 0.000 1.182 183 A CA 1.964 53.919 52.037 -0.136 0.000 0.633 183 A CB -0.308 18.588 19.000 -0.174 0.000 0.819 183 A HN 0.347 nan 8.150 nan 0.000 0.448 184 K N -1.714 118.604 120.400 -0.138 0.000 2.418 184 K HA 0.153 4.473 4.320 -0.000 0.000 0.195 184 K C 1.256 177.823 176.600 -0.055 0.000 1.035 184 K CA 0.851 57.076 56.287 -0.103 0.000 1.003 184 K CB -0.197 32.224 32.500 -0.132 0.000 0.793 184 K HN 0.913 nan 8.250 nan 0.000 0.494 185 G N 0.514 109.287 108.800 -0.044 0.000 2.179 185 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 185 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 185 G C 0.268 175.183 174.900 0.024 0.000 0.990 185 G CA 0.003 45.099 45.100 -0.007 0.000 0.646 185 G HN 0.496 nan 8.290 nan 0.000 0.517 186 A N 0.058 122.900 122.820 0.036 0.000 2.477 186 A HA 0.855 5.174 4.320 -0.000 0.000 0.246 186 A C 0.715 178.379 177.584 0.132 0.000 1.078 186 A CA 1.320 53.422 52.037 0.108 0.000 0.770 186 A CB 0.633 19.769 19.000 0.226 0.000 1.011 186 A HN 2.122 nan 8.150 nan 0.000 0.494 187 A N 1.446 124.351 122.820 0.142 0.000 2.423 187 A HA 0.640 4.960 4.320 -0.000 0.000 0.304 187 A C 0.967 178.609 177.584 0.097 0.000 1.104 187 A CA 0.010 52.154 52.037 0.179 0.000 0.757 187 A CB 0.771 19.860 19.000 0.148 0.000 1.313 187 A HN 1.845 nan 8.150 nan 0.000 0.423 188 V N -1.813 118.132 119.914 0.051 0.000 2.346 188 V HA 0.275 4.395 4.120 -0.000 0.000 0.244 188 V C 0.408 176.105 176.094 -0.662 0.000 1.037 188 V CA 0.995 63.085 62.300 -0.351 0.000 1.029 188 V CB -0.966 30.576 31.823 -0.468 0.000 0.663 188 V HN 0.551 nan 8.190 nan 0.000 0.454 189 F N 0.237 120.232 119.950 0.075 0.000 2.529 189 F HA 0.594 5.120 4.527 -0.000 0.000 0.320 189 F C 0.302 176.141 175.800 0.064 0.000 1.118 189 F CA -1.174 56.854 58.000 0.048 0.000 0.915 189 F CB 1.673 40.691 39.000 0.029 0.000 1.161 189 F HN -0.187 nan 8.300 nan 0.000 0.445 190 K N 1.881 122.415 120.400 0.222 0.000 2.527 190 K HA 0.000 4.320 4.320 -0.000 0.000 0.278 190 K C -0.137 176.550 176.600 0.146 0.000 0.981 190 K CA 0.249 56.625 56.287 0.148 0.000 1.009 190 K CB 0.591 33.156 32.500 0.108 0.000 0.895 190 K HN 0.644 nan 8.250 nan 0.000 0.493 191 E N 1.712 121.983 120.200 0.117 0.000 2.266 191 E HA 0.002 4.352 4.350 -0.000 0.000 0.277 191 E C 0.061 176.706 176.600 0.074 0.000 1.018 191 E CA -0.146 56.316 56.400 0.103 0.000 0.840 191 E CB 0.948 30.710 29.700 0.102 0.000 1.082 191 E HN 0.465 nan 8.360 nan 0.000 0.395 192 Q N 2.195 122.031 119.800 0.061 0.000 1.812 192 Q HA 0.004 4.343 4.340 -0.000 0.000 0.196 192 Q C -0.347 175.674 176.000 0.035 0.000 0.679 192 Q CA 0.323 56.151 55.803 0.043 0.000 0.793 192 Q CB 0.696 29.455 28.738 0.036 0.000 1.215 192 Q HN 0.667 nan 8.270 nan 0.000 0.412 193 D N -1.361 119.061 120.400 0.036 0.000 3.084 193 D HA 0.244 4.884 4.640 -0.000 0.000 0.294 193 D C 1.188 177.511 176.300 0.039 0.000 1.165 193 D CA 1.164 55.181 54.000 0.028 0.000 1.008 193 D CB 0.709 41.517 40.800 0.013 0.000 1.266 193 D HN 0.266 nan 8.370 nan 0.000 0.449 194 G N 0.098 108.930 108.800 0.053 0.000 3.198 194 G HA2 0.067 4.027 3.960 -0.000 0.000 0.212 194 G HA3 0.067 4.027 3.960 -0.000 0.000 0.212 194 G C 0.532 175.491 174.900 0.099 0.000 1.467 194 G CA 0.565 45.707 45.100 0.070 0.000 0.740 194 G HN 0.218 nan 8.290 nan 0.000 0.930 195 T N 0.024 114.638 114.554 0.101 0.000 3.941 195 T HA 0.308 4.658 4.350 -0.000 0.000 0.320 195 T C 0.144 174.902 174.700 0.095 0.000 0.912 195 T CA -0.299 61.890 62.100 0.148 0.000 0.989 195 T CB -0.594 68.397 68.868 0.205 0.000 1.177 195 T HN 0.149 nan 8.240 nan 0.000 0.507 196 L N 1.734 122.976 121.223 0.030 0.000 2.783 196 L HA 0.540 4.880 4.340 -0.000 0.000 0.235 196 L C -0.978 175.852 176.870 -0.067 0.000 1.260 196 L CA -0.383 54.426 54.840 -0.053 0.000 1.184 196 L CB -0.442 41.597 42.059 -0.034 0.000 1.472 196 L HN 0.162 nan 8.230 nan 0.000 0.426 197 D N 1.106 121.460 120.400 -0.076 0.000 2.378 197 D HA 0.205 4.845 4.640 -0.000 0.000 0.265 197 D C -1.600 174.649 176.300 -0.085 0.000 1.229 197 D CA -1.166 52.810 54.000 -0.041 0.000 0.914 197 D CB 1.723 42.549 40.800 0.043 0.000 1.140 197 D HN 0.031 nan 8.370 nan 0.000 0.516 198 P HA -0.214 nan 4.420 nan 0.000 0.215 198 P C 0.282 177.582 177.300 0.002 0.000 1.163 198 P CA 1.281 64.239 63.100 -0.237 0.000 0.894 198 P CB 0.233 31.834 31.700 -0.166 0.000 0.791 199 N N -0.679 118.037 118.700 0.027 0.000 2.322 199 N HA 0.059 4.799 4.740 -0.000 0.000 0.216 199 N C -0.049 175.510 175.510 0.083 0.000 1.144 199 N CA 0.060 53.145 53.050 0.059 0.000 0.830 199 N CB -0.006 38.498 38.487 0.029 0.000 1.034 199 N HN 0.257 nan 8.380 nan 0.000 0.484 200 E N 1.128 121.406 120.200 0.130 0.000 2.795 200 E HA 0.228 4.577 4.350 -0.000 0.000 0.226 200 E C -0.668 176.041 176.600 0.183 0.000 1.088 200 E CA -0.283 56.193 56.400 0.127 0.000 0.812 200 E CB 0.891 30.651 29.700 0.101 0.000 1.328 200 E HN 0.244 nan 8.360 nan 0.000 0.410 201 I N 0.672 121.322 120.570 0.133 0.000 2.474 201 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 201 I C 1.370 177.478 176.117 -0.015 0.000 1.048 201 I CA 0.183 61.499 61.300 0.027 0.000 1.383 201 I CB 1.198 39.185 38.000 -0.022 0.000 1.412 201 I HN 0.494 nan 8.210 nan 0.000 0.531 202 G N 5.974 114.739 108.800 -0.059 0.000 3.575 202 G HA2 0.161 4.121 3.960 -0.000 0.000 0.273 202 G HA3 0.161 4.121 3.960 -0.000 0.000 0.273 202 G C 0.665 175.553 174.900 -0.020 0.000 1.053 202 G CA -0.132 44.960 45.100 -0.013 0.000 0.803 202 G HN 0.378 nan 8.290 nan 0.000 0.528 203 L N 1.745 122.920 121.223 -0.081 0.000 2.627 203 L HA 0.224 4.564 4.340 -0.000 0.000 0.232 203 L C 1.430 178.278 176.870 -0.036 0.000 1.150 203 L CA 0.239 55.019 54.840 -0.100 0.000 0.917 203 L CB -0.421 41.474 42.059 -0.274 0.000 1.104 203 L HN 0.497 nan 8.230 nan 0.000 0.445 204 N N -2.302 116.393 118.700 -0.009 0.000 2.184 204 N HA 0.014 4.753 4.740 -0.000 0.000 0.234 204 N C 0.282 175.804 175.510 0.019 0.000 1.282 204 N CA 0.105 53.161 53.050 0.010 0.000 0.877 204 N CB 0.329 38.815 38.487 -0.001 0.000 1.184 204 N HN 0.133 nan 8.380 nan 0.000 0.510 205 S N 0.970 116.685 115.700 0.026 0.000 2.589 205 S HA 0.254 4.724 4.470 -0.000 0.000 0.265 205 S C -1.157 173.457 174.600 0.023 0.000 1.342 205 S CA -0.616 57.599 58.200 0.025 0.000 1.005 205 S CB 1.182 64.401 63.200 0.031 0.000 0.909 205 S HN -0.033 nan 8.310 nan 0.000 0.555 206 P HA -0.111 nan 4.420 nan 0.000 0.218 206 P C 0.909 178.206 177.300 -0.006 0.000 1.148 206 P CA 1.340 64.441 63.100 0.001 0.000 0.822 206 P CB -0.036 31.663 31.700 -0.002 0.000 0.784 207 E N 0.205 120.407 120.200 0.003 0.000 2.072 207 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 207 E C 2.303 178.905 176.600 0.003 0.000 0.985 207 E CA 1.523 57.920 56.400 -0.005 0.000 0.801 207 E CB -1.107 28.599 29.700 0.010 0.000 0.750 207 E HN 0.182 nan 8.360 nan 0.000 0.452 208 A N 0.448 123.308 122.820 0.067 0.000 1.933 208 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 208 A C 2.444 180.071 177.584 0.072 0.000 1.175 208 A CA 1.299 53.443 52.037 0.177 0.000 0.628 208 A CB -0.680 18.441 19.000 0.201 0.000 0.814 208 A HN 0.151 nan 8.150 nan 0.000 0.444 209 V N 0.088 120.014 119.914 0.021 0.000 2.407 209 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 209 V C 2.627 178.667 176.094 -0.089 0.000 1.055 209 V CA 2.251 64.540 62.300 -0.018 0.000 1.049 209 V CB -0.955 30.863 31.823 -0.009 0.000 0.662 209 V HN 0.645 nan 8.190 nan 0.000 0.455 210 Q N 0.077 119.813 119.800 -0.106 0.000 2.061 210 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 210 Q C 2.436 178.278 176.000 -0.263 0.000 0.984 210 Q CA 1.759 57.474 55.803 -0.147 0.000 0.846 210 Q CB -0.633 28.032 28.738 -0.122 0.000 0.902 210 Q HN 0.717 nan 8.270 nan 0.000 0.421 211 G N 1.056 109.606 108.800 -0.417 0.000 2.476 211 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 211 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 211 G C 1.381 175.763 174.900 -0.863 0.000 1.164 211 G CA 1.201 45.781 45.100 -0.866 0.000 0.768 211 G HN 0.228 nan 8.290 nan 0.000 0.560 212 M N 1.071 120.305 119.600 -0.609 0.000 2.229 212 M HA 0.067 4.547 4.480 -0.000 0.000 0.264 212 M C 2.048 178.290 176.300 -0.097 0.000 1.063 212 M CA 1.304 56.465 55.300 -0.231 0.000 1.114 212 M CB -0.769 31.815 32.600 -0.027 0.000 1.387 212 M HN 0.358 nan 8.290 nan 0.000 0.420 213 N N -0.434 118.197 118.700 -0.113 0.000 2.104 213 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 213 N C 1.490 176.982 175.510 -0.030 0.000 1.024 213 N CA 1.373 54.390 53.050 -0.055 0.000 0.853 213 N CB -0.088 38.352 38.487 -0.077 0.000 1.008 213 N HN 0.374 nan 8.380 nan 0.000 0.424 214 E N 0.769 120.917 120.200 -0.087 0.000 2.015 214 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 214 E C 2.351 179.094 176.600 0.238 0.000 0.991 214 E CA 0.673 57.063 56.400 -0.017 0.000 0.802 214 E CB -0.683 28.941 29.700 -0.127 0.000 0.759 214 E HN 0.143 nan 8.360 nan 0.000 0.447 215 V N 1.792 121.849 119.914 0.237 0.000 2.277 215 V HA -0.343 3.777 4.120 -0.000 0.000 0.253 215 V C 2.706 179.125 176.094 0.540 0.000 1.067 215 V CA 2.414 64.985 62.300 0.452 0.000 1.047 215 V CB -0.692 31.339 31.823 0.346 0.000 0.649 215 V HN 0.342 nan 8.190 nan 0.000 0.447 216 Q N -0.297 119.726 119.800 0.371 0.000 2.112 216 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 216 Q C 2.356 178.590 176.000 0.389 0.000 0.987 216 Q CA 1.947 57.982 55.803 0.387 0.000 0.858 216 Q CB -0.101 28.756 28.738 0.199 0.000 0.905 216 Q HN 0.627 nan 8.270 nan 0.000 0.420 217 K N -0.556 120.016 120.400 0.285 0.000 2.063 217 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 217 K C 1.667 178.484 176.600 0.362 0.000 1.048 217 K CA 1.627 58.067 56.287 0.255 0.000 0.928 217 K CB -0.280 32.236 32.500 0.027 0.000 0.713 217 K HN 0.374 nan 8.250 nan 0.000 0.442 218 W N 0.090 121.601 121.300 0.352 0.000 2.331 218 W HA -0.175 4.485 4.660 -0.000 0.000 0.291 218 W C 1.735 178.114 176.519 -0.234 0.000 1.214 218 W CA 0.942 58.300 57.345 0.020 0.000 1.228 218 W CB -0.333 29.031 29.460 -0.160 0.000 1.135 218 W HN 0.032 nan 8.180 nan 0.000 0.537 219 F N -1.849 118.309 119.950 0.346 0.000 2.446 219 F HA -0.006 4.521 4.527 -0.000 0.000 0.292 219 F C 2.283 178.179 175.800 0.161 0.000 1.096 219 F CA 1.175 59.305 58.000 0.217 0.000 1.438 219 F CB -0.970 38.137 39.000 0.177 0.000 1.107 219 F HN -0.361 nan 8.300 nan 0.000 0.546 220 T N -0.254 114.490 114.554 0.317 0.000 2.668 220 T HA -0.102 4.248 4.350 -0.000 0.000 0.258 220 T C 1.700 176.485 174.700 0.142 0.000 1.051 220 T CA 1.593 63.816 62.100 0.204 0.000 1.155 220 T CB -0.180 68.791 68.868 0.172 0.000 0.864 220 T HN 0.222 nan 8.240 nan 0.000 0.413 221 E N 0.590 120.872 120.200 0.136 0.000 2.162 221 E HA 0.270 4.620 4.350 -0.000 0.000 0.193 221 E C 1.989 178.568 176.600 -0.035 0.000 0.953 221 E CA 0.423 56.869 56.400 0.077 0.000 0.849 221 E CB 0.079 29.878 29.700 0.165 0.000 0.810 221 E HN 0.338 nan 8.360 nan 0.000 0.470 222 A N 1.535 124.278 122.820 -0.129 0.000 2.275 222 A HA 0.024 4.344 4.320 -0.000 0.000 0.212 222 A C 0.503 178.096 177.584 0.015 0.000 1.201 222 A CA 0.019 51.932 52.037 -0.207 0.000 0.843 222 A CB -0.606 18.077 19.000 -0.529 0.000 0.873 222 A HN 0.304 nan 8.150 nan 0.000 0.492 223 R N -0.761 119.783 120.500 0.072 0.000 3.322 223 R HA -0.171 4.169 4.340 -0.000 0.000 0.253 223 R C -1.018 175.409 176.300 0.210 0.000 0.987 223 R CA 0.596 56.779 56.100 0.137 0.000 0.666 223 R CB -2.864 27.487 30.300 0.085 0.000 1.072 223 R HN 0.394 nan 8.270 nan 0.000 0.447 224 L N 0.521 121.853 121.223 0.182 0.000 2.426 224 L HA 0.336 4.676 4.340 -0.000 0.000 0.271 224 L C -1.374 175.684 176.870 0.313 0.000 1.169 224 L CA -2.159 52.784 54.840 0.172 0.000 0.836 224 L CB 0.164 42.119 42.059 -0.173 0.000 1.112 224 L HN 0.028 nan 8.230 nan 0.000 0.465 225 P HA -0.006 nan 4.420 nan 0.000 0.270 225 P C -0.041 177.424 177.300 0.276 0.000 1.227 225 P CA -0.308 62.935 63.100 0.239 0.000 0.788 225 P CB 0.500 32.301 31.700 0.170 0.000 0.926 226 Q N 0.039 119.942 119.800 0.172 0.000 2.033 226 Q HA 0.001 4.341 4.340 -0.000 0.000 0.196 226 Q C 0.631 176.659 176.000 0.047 0.000 0.970 226 Q CA 1.585 57.438 55.803 0.084 0.000 0.828 226 Q CB -0.792 27.968 28.738 0.037 0.000 0.895 226 Q HN 0.345 nan 8.270 nan 0.000 0.440 227 S N 1.302 117.030 115.700 0.048 0.000 3.208 227 S HA 0.321 4.791 4.470 -0.000 0.000 0.195 227 S C 0.096 174.714 174.600 0.030 0.000 1.394 227 S CA -0.228 57.986 58.200 0.024 0.000 1.127 227 S CB -0.383 62.826 63.200 0.014 0.000 1.282 227 S HN 0.163 nan 8.310 nan 0.000 0.513 228 L N 3.428 124.678 121.223 0.044 0.000 2.416 228 L HA 0.290 4.630 4.340 -0.000 0.000 0.272 228 L C 0.658 177.518 176.870 -0.017 0.000 1.161 228 L CA 0.162 55.008 54.840 0.010 0.000 0.845 228 L CB 0.479 42.534 42.059 -0.008 0.000 1.119 228 L HN 0.385 nan 8.230 nan 0.000 0.464 229 K N 2.172 122.557 120.400 -0.026 0.000 2.378 229 K HA 0.675 4.995 4.320 -0.000 0.000 0.244 229 K C 0.435 177.014 176.600 -0.036 0.000 1.039 229 K CA -0.511 55.757 56.287 -0.032 0.000 0.863 229 K CB 1.382 33.871 32.500 -0.019 0.000 1.326 229 K HN 0.368 nan 8.250 nan 0.000 0.460 230 A N 0.602 123.409 122.820 -0.022 0.000 1.933 230 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 230 A C 1.461 179.077 177.584 0.055 0.000 1.175 230 A CA 2.016 54.064 52.037 0.019 0.000 0.628 230 A CB -0.809 18.225 19.000 0.056 0.000 0.814 230 A HN 0.814 nan 8.150 nan 0.000 0.444 231 D N -0.651 119.774 120.400 0.041 0.000 2.178 231 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 231 D C 2.000 178.335 176.300 0.057 0.000 0.980 231 D CA 1.715 55.749 54.000 0.057 0.000 0.842 231 D CB -0.475 40.349 40.800 0.039 0.000 0.948 231 D HN 0.418 nan 8.370 nan 0.000 0.472 232 T N 0.368 114.942 114.554 0.032 0.000 2.737 232 T HA -0.091 4.258 4.350 -0.000 0.000 0.265 232 T C 2.285 176.998 174.700 0.022 0.000 1.038 232 T CA 0.939 63.054 62.100 0.025 0.000 1.144 232 T CB -0.347 68.524 68.868 0.004 0.000 0.866 232 T HN -0.030 nan 8.240 nan 0.000 0.434 233 V N 2.793 122.711 119.914 0.006 0.000 2.287 233 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 233 V C 2.433 178.588 176.094 0.101 0.000 1.053 233 V CA 1.693 64.001 62.300 0.012 0.000 1.027 233 V CB -0.689 31.131 31.823 -0.005 0.000 0.646 233 V HN 0.446 nan 8.190 nan 0.000 0.447 234 N N 0.923 119.722 118.700 0.165 0.000 2.106 234 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 234 N C 1.954 177.589 175.510 0.208 0.000 1.029 234 N CA 1.647 54.866 53.050 0.282 0.000 0.848 234 N CB -0.879 37.807 38.487 0.332 0.000 1.007 234 N HN 0.513 nan 8.380 nan 0.000 0.423 235 G N 1.720 110.604 108.800 0.140 0.000 2.446 235 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 235 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 235 G C 1.628 176.578 174.900 0.083 0.000 1.168 235 G CA 0.574 45.736 45.100 0.103 0.000 0.771 235 G HN 0.240 nan 8.290 nan 0.000 0.551 236 L N -1.096 120.178 121.223 0.085 0.000 2.156 236 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 236 L C 2.544 179.452 176.870 0.064 0.000 1.095 236 L CA 0.437 55.325 54.840 0.081 0.000 0.770 236 L CB -0.422 41.701 42.059 0.106 0.000 0.914 236 L HN 0.179 nan 8.230 nan 0.000 0.439 237 F N 1.319 121.215 119.950 -0.091 0.000 2.134 237 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 237 F C 2.466 178.141 175.800 -0.208 0.000 1.097 237 F CA 1.604 59.481 58.000 -0.205 0.000 1.264 237 F CB -0.085 38.648 39.000 -0.445 0.000 1.001 237 F HN -0.133 nan 8.300 nan 0.000 0.479 238 K N -0.340 120.029 120.400 -0.052 0.000 2.211 238 K HA -0.109 4.210 4.320 -0.000 0.000 0.203 238 K C 1.942 178.499 176.600 -0.073 0.000 1.050 238 K CA 1.342 57.603 56.287 -0.043 0.000 0.945 238 K CB -0.326 32.230 32.500 0.094 0.000 0.732 238 K HN 0.347 nan 8.250 nan 0.000 0.451 239 S N -0.423 115.244 115.700 -0.055 0.000 2.650 239 S HA 0.089 4.558 4.470 -0.000 0.000 0.219 239 S C 1.206 175.756 174.600 -0.084 0.000 0.960 239 S CA 0.330 58.505 58.200 -0.043 0.000 0.925 239 S CB 0.105 63.304 63.200 -0.002 0.000 0.775 239 S HN 0.410 nan 8.310 nan 0.000 0.525 240 G N 1.846 110.539 108.800 -0.177 0.000 2.168 240 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 240 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 240 G C 0.615 175.428 174.900 -0.144 0.000 0.997 240 G CA 0.529 45.498 45.100 -0.217 0.000 0.708 240 G HN 0.541 nan 8.290 nan 0.000 0.520 241 K N -0.555 119.794 120.400 -0.085 0.000 2.373 241 K HA 0.354 4.674 4.320 -0.000 0.000 0.202 241 K C 0.411 177.058 176.600 0.079 0.000 1.025 241 K CA 0.137 56.427 56.287 0.004 0.000 1.115 241 K CB 1.516 34.042 32.500 0.045 0.000 0.858 241 K HN 0.336 nan 8.250 nan 0.000 0.525 242 V N 1.166 121.108 119.914 0.046 0.000 2.444 242 V HA 0.261 4.381 4.120 -0.000 0.000 0.294 242 V C 1.062 177.268 176.094 0.187 0.000 1.022 242 V CA -0.472 61.946 62.300 0.197 0.000 0.850 242 V CB 1.468 33.480 31.823 0.314 0.000 0.992 242 V HN 0.127 nan 8.190 nan 0.000 0.426 243 A N 4.101 127.078 122.820 0.261 0.000 1.877 243 A HA 0.473 4.793 4.320 -0.000 0.000 0.216 243 A C 1.114 178.934 177.584 0.394 0.000 1.186 243 A CA 1.570 53.783 52.037 0.295 0.000 0.620 243 A CB -0.037 19.200 19.000 0.394 0.000 0.822 243 A HN 1.371 nan 8.150 nan 0.000 0.443 244 A N -1.330 121.723 122.820 0.387 0.000 2.520 244 A HA 0.586 4.906 4.320 -0.000 0.000 0.298 244 A C -0.511 177.190 177.584 0.195 0.000 1.051 244 A CA 0.067 52.293 52.037 0.315 0.000 0.690 244 A CB 1.105 20.216 19.000 0.184 0.000 1.281 244 A HN 1.426 nan 8.150 nan 0.000 0.402 245 V N -0.368 119.558 119.914 0.019 0.000 3.046 245 V HA 0.770 4.889 4.120 -0.000 0.000 0.316 245 V C -0.627 175.452 176.094 -0.025 0.000 1.104 245 V CA -1.032 61.252 62.300 -0.027 0.000 1.006 245 V CB 1.797 33.526 31.823 -0.157 0.000 1.058 245 V HN 0.653 nan 8.190 nan 0.000 0.440 246 I N 3.755 124.334 120.570 0.015 0.000 2.307 246 I HA 0.553 4.722 4.170 -0.000 0.000 0.287 246 I C -0.099 176.168 176.117 0.250 0.000 1.054 246 I CA 0.391 61.706 61.300 0.024 0.000 1.218 246 I CB -0.071 37.836 38.000 -0.155 0.000 1.398 246 I HN 0.817 nan 8.210 nan 0.000 0.475 247 N N 3.350 122.145 118.700 0.158 0.000 3.157 247 N HA 0.700 5.440 4.740 -0.000 0.000 0.291 247 N C -0.323 175.059 175.510 -0.214 0.000 1.515 247 N CA -0.313 52.828 53.050 0.152 0.000 0.807 247 N CB 2.501 41.049 38.487 0.102 0.000 1.672 247 N HN 0.548 nan 8.380 nan 0.000 0.592 248 G N -0.408 107.758 108.800 -1.056 0.000 2.601 248 G HA2 0.462 4.422 3.960 -0.000 0.000 0.317 248 G HA3 0.462 4.422 3.960 -0.000 0.000 0.317 248 G C -2.026 171.818 174.900 -1.759 0.000 1.246 248 G CA -1.109 42.917 45.100 -1.790 0.000 1.012 248 G HN 0.359 nan 8.290 nan 0.000 0.494 249 P HA -0.045 nan 4.420 nan 0.000 0.225 249 P C 1.204 178.129 177.300 -0.624 0.000 1.148 249 P CA 0.952 63.288 63.100 -1.274 0.000 0.779 249 P CB 0.020 31.143 31.700 -0.963 0.000 0.780 250 W N -0.370 120.732 121.300 -0.330 0.000 2.468 250 W HA 0.132 4.792 4.660 -0.000 0.000 0.262 250 W C 1.653 178.017 176.519 -0.258 0.000 1.241 250 W CA 0.860 58.062 57.345 -0.237 0.000 1.232 250 W CB -1.697 27.652 29.460 -0.185 0.000 1.124 250 W HN -0.123 nan 8.180 nan 0.000 0.597 251 A N 0.644 123.139 122.820 -0.542 0.000 2.147 251 A HA 0.133 4.453 4.320 -0.000 0.000 0.211 251 A C 1.844 178.955 177.584 -0.789 0.000 1.160 251 A CA 0.690 52.323 52.037 -0.673 0.000 0.781 251 A CB -0.625 17.792 19.000 -0.970 0.000 0.842 251 A HN 0.353 nan 8.150 nan 0.000 0.475 252 I N 0.114 120.406 120.570 -0.463 0.000 2.118 252 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 252 I C 2.264 178.315 176.117 -0.110 0.000 1.070 252 I CA 1.374 62.549 61.300 -0.209 0.000 1.327 252 I CB -0.263 37.692 38.000 -0.076 0.000 1.034 252 I HN 0.102 nan 8.210 nan 0.000 0.405 253 K N 0.384 120.715 120.400 -0.115 0.000 2.103 253 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 253 K C 1.758 178.358 176.600 -0.001 0.000 1.048 253 K CA 1.673 57.928 56.287 -0.053 0.000 0.930 253 K CB -0.612 31.850 32.500 -0.062 0.000 0.716 253 K HN 0.338 nan 8.250 nan 0.000 0.444 254 D N 0.020 120.405 120.400 -0.024 0.000 2.084 254 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 254 D C 1.866 178.304 176.300 0.230 0.000 0.985 254 D CA 1.074 55.116 54.000 0.070 0.000 0.826 254 D CB -0.047 40.783 40.800 0.051 0.000 0.978 254 D HN 0.072 nan 8.370 nan 0.000 0.456 255 Y N 1.096 121.462 120.300 0.110 0.000 2.151 255 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 255 Y C 2.555 178.519 175.900 0.108 0.000 1.166 255 Y CA 1.003 59.207 58.100 0.173 0.000 1.163 255 Y CB -1.097 37.525 38.460 0.269 0.000 0.974 255 Y HN 0.238 nan 8.280 nan 0.000 0.511 256 Q N -0.838 119.102 119.800 0.234 0.000 2.172 256 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 256 Q C 2.489 178.540 176.000 0.085 0.000 0.964 256 Q CA 1.053 56.931 55.803 0.125 0.000 0.855 256 Q CB -0.275 28.509 28.738 0.077 0.000 0.918 256 Q HN 0.446 nan 8.270 nan 0.000 0.444 257 A N 0.971 123.841 122.820 0.084 0.000 2.067 257 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 257 A C 2.091 179.714 177.584 0.065 0.000 1.158 257 A CA 1.307 53.381 52.037 0.062 0.000 0.661 257 A CB -0.370 18.662 19.000 0.054 0.000 0.801 257 A HN 0.344 nan 8.150 nan 0.000 0.452 258 A N -1.346 121.528 122.820 0.090 0.000 2.238 258 A HA 0.419 4.739 4.320 -0.000 0.000 0.208 258 A C 1.590 179.196 177.584 0.037 0.000 1.177 258 A CA 0.993 53.072 52.037 0.069 0.000 0.804 258 A CB -1.045 18.011 19.000 0.093 0.000 0.823 258 A HN 1.861 nan 8.150 nan 0.000 0.482 259 G N -0.237 108.588 108.800 0.040 0.000 2.256 259 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.272 259 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.272 259 G C -0.216 174.682 174.900 -0.003 0.000 1.076 259 G CA 0.195 45.306 45.100 0.018 0.000 0.882 259 G HN 0.307 nan 8.290 nan 0.000 0.497 260 I N 0.211 120.789 120.570 0.012 0.000 2.392 260 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 260 I C 0.338 176.462 176.117 0.012 0.000 0.985 260 I CA -1.640 59.641 61.300 -0.032 0.000 1.221 260 I CB 1.480 39.426 38.000 -0.091 0.000 1.366 260 I HN 0.145 nan 8.210 nan 0.000 0.467 261 N N 6.359 125.048 118.700 -0.018 0.000 2.415 261 N HA 0.213 4.953 4.740 -0.000 0.000 0.250 261 N C -0.674 174.823 175.510 -0.021 0.000 1.127 261 N CA -0.187 52.858 53.050 -0.009 0.000 0.945 261 N CB 0.483 38.962 38.487 -0.014 0.000 1.196 261 N HN 0.450 nan 8.380 nan 0.000 0.499 262 V N 1.076 120.987 119.914 -0.005 0.000 2.612 262 V HA 0.992 5.112 4.120 -0.000 0.000 0.301 262 V C 0.666 176.609 176.094 -0.252 0.000 1.046 262 V CA -0.740 61.536 62.300 -0.040 0.000 0.946 262 V CB 1.255 33.164 31.823 0.144 0.000 1.003 262 V HN 0.471 nan 8.190 nan 0.000 0.459 263 G N 1.944 110.361 108.800 -0.638 0.000 2.498 263 G HA2 0.691 4.650 3.960 -0.000 0.000 0.312 263 G HA3 0.691 4.650 3.960 -0.000 0.000 0.312 263 G C -1.385 173.100 174.900 -0.692 0.000 1.230 263 G CA -0.828 43.742 45.100 -0.885 0.000 0.968 263 G HN 1.139 nan 8.290 nan 0.000 0.481 264 V N -0.060 119.637 119.914 -0.361 0.000 2.638 264 V HA 0.854 4.973 4.120 -0.000 0.000 0.306 264 V C 0.049 176.052 176.094 -0.151 0.000 1.052 264 V CA -0.626 61.468 62.300 -0.343 0.000 0.885 264 V CB 1.229 32.615 31.823 -0.728 0.000 0.999 264 V HN 1.334 nan 8.190 nan 0.000 0.424 265 A N 5.801 128.561 122.820 -0.100 0.000 2.539 265 A HA 1.014 5.334 4.320 -0.000 0.000 0.296 265 A C -3.100 174.400 177.584 -0.141 0.000 1.073 265 A CA -1.764 50.228 52.037 -0.076 0.000 0.700 265 A CB 2.192 21.192 19.000 -0.000 0.000 1.296 265 A HN 0.566 nan 8.150 nan 0.000 0.405 266 P HA 0.212 nan 4.420 nan 0.000 0.269 266 P C -0.408 176.813 177.300 -0.132 0.000 1.215 266 P CA -0.198 62.830 63.100 -0.120 0.000 0.780 266 P CB 0.276 31.926 31.700 -0.083 0.000 0.898 267 L N 4.432 125.547 121.223 -0.179 0.000 2.601 267 L HA 0.051 4.391 4.340 -0.000 0.000 0.277 267 L C -1.726 175.063 176.870 -0.135 0.000 1.219 267 L CA -0.447 54.254 54.840 -0.232 0.000 0.915 267 L CB -1.478 40.300 42.059 -0.469 0.000 1.160 267 L HN 0.314 nan 8.230 nan 0.000 0.494 268 P HA -0.041 nan 4.420 nan 0.000 0.261 268 P C -0.885 176.444 177.300 0.048 0.000 1.173 268 P CA -0.198 62.900 63.100 -0.003 0.000 0.760 268 P CB 0.025 31.746 31.700 0.035 0.000 0.783 269 K N 3.097 123.516 120.400 0.032 0.000 2.473 269 K HA 0.057 4.377 4.320 -0.000 0.000 0.277 269 K C -0.026 176.632 176.600 0.096 0.000 1.052 269 K CA -0.090 56.223 56.287 0.043 0.000 1.114 269 K CB -0.222 32.293 32.500 0.025 0.000 0.869 269 K HN 0.263 nan 8.250 nan 0.000 0.481 270 I N 3.110 123.734 120.570 0.090 0.000 2.336 270 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 270 I C -0.711 175.422 176.117 0.027 0.000 0.991 270 I CA -0.028 61.324 61.300 0.086 0.000 1.227 270 I CB 0.626 38.645 38.000 0.030 0.000 1.366 270 I HN 0.780 nan 8.210 nan 0.000 0.466 271 D N 5.955 126.371 120.400 0.027 0.000 2.697 271 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 271 D C 1.093 177.400 176.300 0.011 0.000 1.167 271 D CA 1.404 55.408 54.000 0.007 0.000 0.656 271 D CB -1.254 39.531 40.800 -0.026 0.000 1.025 271 D HN 1.285 nan 8.370 nan 0.000 0.419 272 G N -0.227 108.587 108.800 0.024 0.000 2.212 272 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.267 272 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.267 272 G C 0.331 175.239 174.900 0.013 0.000 1.002 272 G CA 1.148 46.258 45.100 0.017 0.000 0.729 272 G HN 0.582 nan 8.290 nan 0.000 0.517 273 K N -0.040 120.369 120.400 0.014 0.000 2.375 273 K HA 0.356 4.676 4.320 -0.000 0.000 0.249 273 K C -0.801 175.807 176.600 0.013 0.000 0.942 273 K CA -1.015 55.278 56.287 0.010 0.000 0.806 273 K CB 1.093 33.595 32.500 0.003 0.000 1.227 273 K HN 0.006 nan 8.250 nan 0.000 0.430 274 D N 1.758 122.163 120.400 0.009 0.000 2.493 274 D HA 0.026 4.665 4.640 -0.000 0.000 0.240 274 D C -0.284 176.020 176.300 0.007 0.000 1.142 274 D CA 0.411 54.413 54.000 0.004 0.000 0.872 274 D CB 1.000 41.803 40.800 0.005 0.000 1.173 274 D HN 0.573 nan 8.370 nan 0.000 0.467 275 A N 3.252 126.066 122.820 -0.010 0.000 2.477 275 A HA 0.092 4.412 4.320 -0.000 0.000 0.246 275 A C 0.342 177.926 177.584 0.000 0.000 1.078 275 A CA -0.126 51.907 52.037 -0.006 0.000 0.770 275 A CB 0.337 19.250 19.000 -0.145 0.000 1.011 275 A HN 0.573 nan 8.150 nan 0.000 0.494 276 Q N 2.080 121.907 119.800 0.046 0.000 2.456 276 Q HA 0.372 4.711 4.340 -0.000 0.000 0.252 276 Q C 0.080 176.143 176.000 0.105 0.000 1.042 276 Q CA -0.414 55.424 55.803 0.059 0.000 0.766 276 Q CB 0.663 29.430 28.738 0.048 0.000 1.196 276 Q HN 0.914 nan 8.270 nan 0.000 0.504 277 T N -0.188 114.422 114.554 0.092 0.000 2.810 277 T HA 0.412 4.762 4.350 -0.000 0.000 0.277 277 T C 0.158 174.928 174.700 0.117 0.000 0.973 277 T CA -0.517 61.636 62.100 0.088 0.000 0.949 277 T CB 0.517 69.381 68.868 -0.007 0.000 1.075 277 T HN 0.359 nan 8.240 nan 0.000 0.537 278 F N 0.309 120.249 119.950 -0.017 0.000 2.389 278 F HA 0.395 4.922 4.527 -0.000 0.000 0.337 278 F C 0.544 176.350 175.800 0.009 0.000 1.112 278 F CA -1.315 56.612 58.000 -0.123 0.000 1.192 278 F CB 0.824 39.641 39.000 -0.306 0.000 1.185 278 F HN 0.252 nan 8.300 nan 0.000 0.552 279 I N 2.595 123.357 120.570 0.319 0.000 2.331 279 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 279 I C 0.439 176.742 176.117 0.309 0.000 0.998 279 I CA -0.414 61.031 61.300 0.240 0.000 1.267 279 I CB 0.567 38.658 38.000 0.152 0.000 1.386 279 I HN 0.519 nan 8.210 nan 0.000 0.476 280 G N 5.463 114.436 108.800 0.287 0.000 2.416 280 G HA2 0.601 4.561 3.960 -0.000 0.000 0.329 280 G HA3 0.601 4.561 3.960 -0.000 0.000 0.329 280 G C -1.064 173.905 174.900 0.115 0.000 1.173 280 G CA -0.351 44.934 45.100 0.309 0.000 0.929 280 G HN 0.328 nan 8.290 nan 0.000 0.475 281 V N 2.142 122.082 119.914 0.044 0.000 2.448 281 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 281 V C -0.174 175.918 176.094 -0.003 0.000 1.025 281 V CA -0.892 61.360 62.300 -0.079 0.000 0.859 281 V CB 1.613 33.287 31.823 -0.248 0.000 0.988 281 V HN 0.703 nan 8.190 nan 0.000 0.431 282 K N 3.214 123.554 120.400 -0.100 0.000 2.213 282 K HA 0.750 5.070 4.320 -0.000 0.000 0.270 282 K C 0.172 176.550 176.600 -0.369 0.000 1.002 282 K CA -0.298 55.863 56.287 -0.209 0.000 0.868 282 K CB 2.069 34.423 32.500 -0.244 0.000 1.093 282 K HN 0.879 nan 8.250 nan 0.000 0.454 283 G N 1.795 110.246 108.800 -0.581 0.000 2.642 283 G HA2 0.381 4.341 3.960 -0.000 0.000 0.293 283 G HA3 0.381 4.341 3.960 -0.000 0.000 0.293 283 G C -1.669 172.603 174.900 -1.047 0.000 1.341 283 G CA -0.897 43.774 45.100 -0.715 0.000 0.916 283 G HN 0.528 nan 8.290 nan 0.000 0.474 284 W N 0.383 121.305 121.300 -0.630 0.000 2.304 284 W HA 0.496 5.156 4.660 -0.000 0.000 0.313 284 W C -0.718 175.464 176.519 -0.562 0.000 1.323 284 W CA -0.489 56.526 57.345 -0.549 0.000 1.223 284 W CB 0.869 30.147 29.460 -0.303 0.000 1.237 284 W HN 0.298 nan 8.180 nan 0.000 0.535 285 Y N 3.369 123.683 120.300 0.024 0.000 2.409 285 Y HA 0.413 4.963 4.550 -0.000 0.000 0.339 285 Y C -0.189 175.668 175.900 -0.073 0.000 1.033 285 Y CA -1.844 56.200 58.100 -0.094 0.000 1.094 285 Y CB 0.881 39.166 38.460 -0.293 0.000 1.210 285 Y HN 0.122 nan 8.280 nan 0.000 0.456 286 L N 2.736 124.030 121.223 0.118 0.000 2.261 286 L HA 0.448 4.788 4.340 -0.000 0.000 0.289 286 L C 0.394 177.276 176.870 0.019 0.000 1.059 286 L CA -0.064 54.789 54.840 0.021 0.000 0.816 286 L CB 0.601 42.652 42.059 -0.013 0.000 1.191 286 L HN 0.659 nan 8.230 nan 0.000 0.431 287 S N 3.808 119.500 115.700 -0.013 0.000 2.563 287 S HA 0.255 4.725 4.470 -0.000 0.000 0.284 287 S C 1.468 176.036 174.600 -0.054 0.000 1.331 287 S CA 0.237 58.432 58.200 -0.008 0.000 1.047 287 S CB 0.869 64.057 63.200 -0.019 0.000 0.859 287 S HN 0.934 nan 8.310 nan 0.000 0.514 288 A N 4.104 126.849 122.820 -0.125 0.000 2.014 288 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 288 A C 0.952 178.272 177.584 -0.440 0.000 1.163 288 A CA 0.817 52.660 52.037 -0.323 0.000 0.652 288 A CB -0.521 18.183 19.000 -0.493 0.000 0.808 288 A HN 0.914 nan 8.150 nan 0.000 0.449 289 Y N 0.370 120.659 120.300 -0.018 0.000 2.645 289 Y HA 0.334 4.884 4.550 -0.000 0.000 0.307 289 Y C 1.160 177.025 175.900 -0.058 0.000 1.151 289 Y CA -0.302 57.778 58.100 -0.034 0.000 1.291 289 Y CB -0.316 38.132 38.460 -0.020 0.000 1.135 289 Y HN 0.165 nan 8.280 nan 0.000 0.523 290 S N 0.511 116.212 115.700 0.001 0.000 2.565 290 S HA 0.155 4.625 4.470 -0.000 0.000 0.276 290 S C 1.090 175.620 174.600 -0.115 0.000 1.326 290 S CA -0.486 57.697 58.200 -0.029 0.000 1.045 290 S CB 0.820 64.007 63.200 -0.022 0.000 0.918 290 S HN 0.502 nan 8.310 nan 0.000 0.505 291 K N 2.528 122.772 120.400 -0.260 0.000 2.393 291 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 291 K C -0.824 175.287 176.600 -0.815 0.000 1.026 291 K CA 0.470 56.392 56.287 -0.609 0.000 1.064 291 K CB 0.240 32.221 32.500 -0.865 0.000 0.833 291 K HN 0.687 nan 8.250 nan 0.000 0.521 292 Y N -0.533 119.778 120.300 0.018 0.000 2.512 292 Y HA 0.208 4.758 4.550 -0.000 0.000 0.326 292 Y C -2.131 173.746 175.900 -0.039 0.000 1.008 292 Y CA -2.279 55.836 58.100 0.025 0.000 1.139 292 Y CB 0.565 39.140 38.460 0.190 0.000 1.137 292 Y HN -0.057 nan 8.280 nan 0.000 0.630 293 P HA -0.233 nan 4.420 nan 0.000 0.218 293 P C 1.459 178.726 177.300 -0.056 0.000 1.148 293 P CA 1.525 64.603 63.100 -0.037 0.000 0.822 293 P CB 0.668 32.324 31.700 -0.073 0.000 0.784 294 K N -0.975 119.346 120.400 -0.132 0.000 2.062 294 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 294 K C 2.255 178.780 176.600 -0.125 0.000 1.051 294 K CA 1.126 57.299 56.287 -0.190 0.000 0.941 294 K CB -0.336 31.967 32.500 -0.329 0.000 0.719 294 K HN -0.007 nan 8.250 nan 0.000 0.440 295 Y N 0.467 120.805 120.300 0.063 0.000 2.153 295 Y HA -0.028 4.521 4.550 -0.000 0.000 0.289 295 Y C 2.439 178.336 175.900 -0.004 0.000 1.127 295 Y CA 0.896 59.033 58.100 0.062 0.000 1.131 295 Y CB -1.018 37.476 38.460 0.056 0.000 0.995 295 Y HN 0.126 nan 8.280 nan 0.000 0.505 296 A N -0.098 122.797 122.820 0.124 0.000 1.927 296 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 296 A C 2.280 179.811 177.584 -0.089 0.000 1.185 296 A CA 2.605 54.619 52.037 -0.037 0.000 0.639 296 A CB -1.396 17.594 19.000 -0.017 0.000 0.820 296 A HN 0.479 nan 8.150 nan 0.000 0.451 297 T N -0.922 113.610 114.554 -0.036 0.000 2.833 297 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 297 T C 1.797 176.493 174.700 -0.006 0.000 1.054 297 T CA 1.545 63.624 62.100 -0.034 0.000 1.135 297 T CB -0.132 68.720 68.868 -0.027 0.000 0.869 297 T HN 0.706 nan 8.240 nan 0.000 0.466 298 E N 0.195 120.419 120.200 0.039 0.000 2.158 298 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 298 E C 2.023 178.667 176.600 0.074 0.000 0.982 298 E CA 0.233 56.702 56.400 0.116 0.000 0.823 298 E CB -0.076 29.751 29.700 0.212 0.000 0.766 298 E HN 0.255 nan 8.360 nan 0.000 0.468 299 L N 0.699 121.804 121.223 -0.196 0.000 2.083 299 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 299 L C 2.175 178.844 176.870 -0.336 0.000 1.083 299 L CA 1.713 56.151 54.840 -0.671 0.000 0.752 299 L CB -0.374 41.112 42.059 -0.954 0.000 0.899 299 L HN 0.226 nan 8.230 nan 0.000 0.433 300 M N -1.170 118.283 119.600 -0.245 0.000 2.117 300 M HA -0.258 4.221 4.480 -0.000 0.000 0.262 300 M C 2.197 178.491 176.300 -0.011 0.000 1.065 300 M CA 1.846 57.029 55.300 -0.195 0.000 1.114 300 M CB -0.050 32.475 32.600 -0.126 0.000 1.361 300 M HN 0.412 nan 8.290 nan 0.000 0.408 301 Q N -1.050 118.787 119.800 0.063 0.000 2.119 301 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 301 Q C 1.846 177.941 176.000 0.158 0.000 0.972 301 Q CA 1.607 57.497 55.803 0.144 0.000 0.847 301 Q CB -0.308 28.520 28.738 0.151 0.000 0.903 301 Q HN 0.523 nan 8.270 nan 0.000 0.433 302 F N 1.247 121.217 119.950 0.033 0.000 2.113 302 F HA -0.129 4.397 4.527 -0.000 0.000 0.297 302 F C 1.699 177.518 175.800 0.032 0.000 1.103 302 F CA 1.144 59.198 58.000 0.090 0.000 1.248 302 F CB 0.034 39.150 39.000 0.194 0.000 0.999 302 F HN -0.054 nan 8.300 nan 0.000 0.475 303 L N -0.322 120.980 121.223 0.131 0.000 2.362 303 L HA -0.117 4.222 4.340 -0.000 0.000 0.219 303 L C 1.471 178.354 176.870 0.021 0.000 1.134 303 L CA 1.496 56.367 54.840 0.050 0.000 0.807 303 L CB -0.802 41.245 42.059 -0.021 0.000 0.927 303 L HN 0.328 nan 8.230 nan 0.000 0.447 304 T N -4.632 109.956 114.554 0.057 0.000 3.296 304 T HA 0.198 4.548 4.350 -0.000 0.000 0.285 304 T C 0.547 175.311 174.700 0.107 0.000 1.014 304 T CA -0.255 61.934 62.100 0.148 0.000 0.920 304 T CB -0.031 69.012 68.868 0.292 0.000 1.143 304 T HN 0.160 nan 8.240 nan 0.000 0.522 305 S N 0.626 116.263 115.700 -0.104 0.000 2.614 305 S HA 0.370 4.839 4.470 -0.000 0.000 0.265 305 S C 1.345 175.822 174.600 -0.203 0.000 1.303 305 S CA -0.855 57.246 58.200 -0.164 0.000 1.000 305 S CB 1.924 64.990 63.200 -0.224 0.000 0.935 305 S HN 0.362 nan 8.310 nan 0.000 0.551 306 K N 1.273 121.563 120.400 -0.184 0.000 2.032 306 K HA -0.244 4.076 4.320 -0.000 0.000 0.218 306 K C 2.196 178.701 176.600 -0.159 0.000 1.054 306 K CA 2.161 58.353 56.287 -0.158 0.000 0.941 306 K CB -0.415 32.009 32.500 -0.126 0.000 0.720 306 K HN 0.868 nan 8.250 nan 0.000 0.449 307 E N 0.341 120.443 120.200 -0.164 0.000 2.106 307 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 307 E C 1.841 178.227 176.600 -0.358 0.000 0.984 307 E CA 1.267 57.591 56.400 -0.127 0.000 0.806 307 E CB -0.335 29.373 29.700 0.013 0.000 0.750 307 E HN 0.399 nan 8.360 nan 0.000 0.458 308 A N 1.307 123.670 122.820 -0.763 0.000 1.898 308 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 308 A C 2.262 179.410 177.584 -0.728 0.000 1.181 308 A CA 1.094 52.261 52.037 -1.451 0.000 0.620 308 A CB -0.425 17.775 19.000 -1.333 0.000 0.819 308 A HN 0.207 nan 8.150 nan 0.000 0.442 309 L N -0.554 120.450 121.223 -0.365 0.000 2.217 309 L HA 0.039 4.379 4.340 -0.000 0.000 0.211 309 L C 2.821 179.661 176.870 -0.050 0.000 1.107 309 L CA 1.429 56.178 54.840 -0.152 0.000 0.783 309 L CB -1.027 40.994 42.059 -0.064 0.000 0.919 309 L HN 0.402 nan 8.230 nan 0.000 0.442 310 A N -1.537 121.246 122.820 -0.063 0.000 1.898 310 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 310 A C 2.594 180.251 177.584 0.122 0.000 1.181 310 A CA 1.822 53.887 52.037 0.047 0.000 0.620 310 A CB -0.825 18.188 19.000 0.021 0.000 0.819 310 A HN 0.416 nan 8.150 nan 0.000 0.442 311 S N -0.450 115.295 115.700 0.075 0.000 2.356 311 S HA -0.239 4.230 4.470 -0.000 0.000 0.223 311 S C 2.228 176.910 174.600 0.136 0.000 1.032 311 S CA 1.646 59.957 58.200 0.185 0.000 1.005 311 S CB -0.429 63.035 63.200 0.440 0.000 0.867 311 S HN 0.588 nan 8.310 nan 0.000 0.449 312 R N -0.769 119.757 120.500 0.044 0.000 2.083 312 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 312 R C 2.210 178.550 176.300 0.066 0.000 1.137 312 R CA 1.943 58.071 56.100 0.046 0.000 0.951 312 R CB -0.661 29.630 30.300 -0.014 0.000 0.851 312 R HN 0.575 nan 8.270 nan 0.000 0.434 313 F N 1.577 121.515 119.950 -0.021 0.000 2.102 313 F HA -0.177 4.349 4.527 -0.000 0.000 0.298 313 F C 1.928 177.733 175.800 0.008 0.000 1.105 313 F CA 1.687 59.679 58.000 -0.013 0.000 1.239 313 F CB -0.143 38.847 39.000 -0.017 0.000 0.991 313 F HN -0.095 nan 8.300 nan 0.000 0.474 314 K N -0.020 120.312 120.400 -0.113 0.000 2.044 314 K HA -0.260 4.059 4.320 -0.000 0.000 0.210 314 K C 2.217 178.699 176.600 -0.197 0.000 1.049 314 K CA 2.053 58.228 56.287 -0.187 0.000 0.927 314 K CB -0.355 32.167 32.500 0.038 0.000 0.713 314 K HN 0.459 nan 8.250 nan 0.000 0.443 315 E N -0.306 119.842 120.200 -0.086 0.000 2.051 315 E HA -0.121 4.229 4.350 -0.000 0.000 0.189 315 E C 1.816 178.363 176.600 -0.089 0.000 0.979 315 E CA 1.595 57.967 56.400 -0.047 0.000 0.803 315 E CB 0.249 29.972 29.700 0.038 0.000 0.761 315 E HN 0.388 nan 8.360 nan 0.000 0.451 316 T N -3.956 110.535 114.554 -0.106 0.000 3.037 316 T HA 0.254 4.604 4.350 -0.000 0.000 0.252 316 T C 1.532 176.138 174.700 -0.157 0.000 1.073 316 T CA 0.753 62.797 62.100 -0.092 0.000 1.091 316 T CB 0.712 69.557 68.868 -0.038 0.000 0.935 316 T HN 0.325 nan 8.240 nan 0.000 0.488 317 G N 1.566 110.177 108.800 -0.316 0.000 2.234 317 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 317 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 317 G C -0.109 174.715 174.900 -0.126 0.000 0.987 317 G CA 0.175 45.042 45.100 -0.389 0.000 0.625 317 G HN 0.670 nan 8.290 nan 0.000 0.532 318 E N 1.160 121.346 120.200 -0.023 0.000 2.366 318 E HA 0.260 4.610 4.350 -0.000 0.000 0.266 318 E C 0.641 177.377 176.600 0.226 0.000 1.015 318 E CA -0.432 56.005 56.400 0.061 0.000 0.906 318 E CB 0.821 30.535 29.700 0.023 0.000 0.979 318 E HN 0.251 nan 8.360 nan 0.000 0.443 319 I N 5.617 126.277 120.570 0.151 0.000 2.587 319 I HA 0.051 4.221 4.170 -0.000 0.000 0.284 319 I C -2.012 174.130 176.117 0.040 0.000 1.134 319 I CA -2.934 58.429 61.300 0.106 0.000 1.410 319 I CB -0.637 37.384 38.000 0.035 0.000 1.392 319 I HN 0.183 nan 8.210 nan 0.000 0.545 320 P HA 0.288 nan 4.420 nan 0.000 0.292 320 P C -2.467 174.833 177.300 0.001 0.000 1.326 320 P CA -1.967 61.135 63.100 0.005 0.000 0.787 320 P CB 0.656 32.358 31.700 0.003 0.000 0.903 321 P HA 0.064 nan 4.420 nan 0.000 0.237 321 P C 0.019 177.409 177.300 0.149 0.000 1.723 321 P CA 0.054 63.189 63.100 0.057 0.000 0.882 321 P CB -0.153 31.569 31.700 0.037 0.000 1.810 322 Q N 0.968 120.820 119.800 0.086 0.000 2.279 322 Q HA 0.158 4.497 4.340 -0.000 0.000 0.256 322 Q C 1.120 177.082 176.000 -0.064 0.000 0.937 322 Q CA -0.195 55.604 55.803 -0.006 0.000 0.933 322 Q CB 0.917 29.611 28.738 -0.073 0.000 1.189 322 Q HN -0.067 nan 8.270 nan 0.000 0.417 323 K N 2.813 123.159 120.400 -0.089 0.000 2.113 323 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 323 K C 1.182 177.733 176.600 -0.081 0.000 1.047 323 K CA 1.932 58.176 56.287 -0.071 0.000 0.928 323 K CB 0.234 32.689 32.500 -0.076 0.000 0.716 323 K HN 0.764 nan 8.250 nan 0.000 0.446 324 E N 0.016 120.152 120.200 -0.106 0.000 2.190 324 E HA -0.079 4.270 4.350 -0.000 0.000 0.191 324 E C 1.692 178.235 176.600 -0.095 0.000 0.978 324 E CA 0.151 56.494 56.400 -0.095 0.000 0.839 324 E CB 0.305 29.944 29.700 -0.102 0.000 0.787 324 E HN 0.030 nan 8.360 nan 0.000 0.473 325 L N 0.573 121.729 121.223 -0.111 0.000 2.109 325 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 325 L C 2.032 178.809 176.870 -0.155 0.000 1.086 325 L CA 1.284 56.044 54.840 -0.132 0.000 0.760 325 L CB -0.450 41.523 42.059 -0.142 0.000 0.910 325 L HN 0.208 nan 8.230 nan 0.000 0.437 326 L N -0.678 120.471 121.223 -0.123 0.000 2.362 326 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 326 L C 1.910 178.728 176.870 -0.087 0.000 1.134 326 L CA 0.483 55.257 54.840 -0.109 0.000 0.807 326 L CB -0.402 41.616 42.059 -0.069 0.000 0.927 326 L HN 0.343 nan 8.230 nan 0.000 0.447 327 N N -0.854 117.799 118.700 -0.078 0.000 2.368 327 N HA -0.076 4.664 4.740 -0.000 0.000 0.176 327 N C 0.491 175.965 175.510 -0.060 0.000 1.021 327 N CA 0.409 53.423 53.050 -0.059 0.000 0.888 327 N CB -0.112 38.345 38.487 -0.050 0.000 0.995 327 N HN 0.144 nan 8.380 nan 0.000 0.437 328 D N 1.768 122.123 120.400 -0.074 0.000 2.502 328 D HA -0.013 4.627 4.640 -0.000 0.000 0.249 328 D C -1.631 174.632 176.300 -0.061 0.000 1.188 328 D CA -1.394 52.567 54.000 -0.065 0.000 0.890 328 D CB 1.108 41.862 40.800 -0.077 0.000 1.140 328 D HN 0.075 nan 8.370 nan 0.000 0.505 329 P HA -0.148 nan 4.420 nan 0.000 0.222 329 P C 1.668 178.960 177.300 -0.013 0.000 1.142 329 P CA 0.839 63.926 63.100 -0.023 0.000 0.788 329 P CB 0.040 31.734 31.700 -0.011 0.000 0.767 330 M N -1.785 117.808 119.600 -0.012 0.000 2.149 330 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 330 M C 1.261 177.568 176.300 0.011 0.000 1.064 330 M CA 2.019 57.329 55.300 0.017 0.000 1.102 330 M CB -0.221 32.395 32.600 0.027 0.000 1.369 330 M HN -0.094 nan 8.290 nan 0.000 0.408 331 I N -1.262 119.253 120.570 -0.093 0.000 2.947 331 I HA -0.102 4.068 4.170 -0.000 0.000 0.263 331 I C 2.133 178.187 176.117 -0.103 0.000 1.130 331 I CA 0.735 61.909 61.300 -0.210 0.000 1.448 331 I CB -0.473 37.223 38.000 -0.507 0.000 1.222 331 I HN 0.095 nan 8.210 nan 0.000 0.453 332 K N 0.838 121.187 120.400 -0.085 0.000 2.057 332 K HA -0.153 4.166 4.320 -0.000 0.000 0.207 332 K C 1.501 178.091 176.600 -0.016 0.000 1.049 332 K CA 1.650 57.909 56.287 -0.047 0.000 0.931 332 K CB 0.034 32.508 32.500 -0.044 0.000 0.714 332 K HN 0.260 nan 8.250 nan 0.000 0.440 333 N N 1.016 119.712 118.700 -0.007 0.000 2.392 333 N HA -0.094 4.645 4.740 -0.000 0.000 0.177 333 N C -0.028 175.495 175.510 0.021 0.000 1.066 333 N CA 0.086 53.140 53.050 0.005 0.000 0.895 333 N CB -0.301 38.189 38.487 0.004 0.000 0.988 333 N HN 0.203 nan 8.380 nan 0.000 0.457 334 N N 3.129 121.852 118.700 0.038 0.000 2.315 334 N HA -0.051 4.689 4.740 -0.000 0.000 0.270 334 N C -1.669 173.874 175.510 0.056 0.000 1.329 334 N CA -0.878 52.213 53.050 0.070 0.000 0.860 334 N CB 1.151 39.721 38.487 0.138 0.000 1.095 334 N HN 0.017 nan 8.380 nan 0.000 0.487 335 P HA -0.170 nan 4.420 nan 0.000 0.214 335 P C 1.571 178.865 177.300 -0.011 0.000 1.163 335 P CA 0.780 63.884 63.100 0.006 0.000 0.889 335 P CB 0.237 31.937 31.700 -0.000 0.000 0.790 336 V N -0.287 119.633 119.914 0.010 0.000 2.231 336 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 336 V C 2.496 178.642 176.094 0.086 0.000 1.058 336 V CA 2.127 64.437 62.300 0.016 0.000 1.022 336 V CB -1.280 30.587 31.823 0.073 0.000 0.640 336 V HN -0.047 nan 8.190 nan 0.000 0.445 337 V N 0.309 120.339 119.914 0.192 0.000 2.343 337 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 337 V C 2.351 178.539 176.094 0.157 0.000 1.051 337 V CA 2.292 64.757 62.300 0.276 0.000 1.036 337 V CB -1.011 30.962 31.823 0.250 0.000 0.654 337 V HN 0.649 nan 8.190 nan 0.000 0.451 338 N N 1.171 119.905 118.700 0.055 0.000 2.094 338 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 338 N C 1.857 177.355 175.510 -0.021 0.000 1.023 338 N CA 1.936 54.994 53.050 0.014 0.000 0.857 338 N CB -0.672 37.813 38.487 -0.002 0.000 1.013 338 N HN 0.424 nan 8.380 nan 0.000 0.426 339 G N -1.250 107.484 108.800 -0.111 0.000 2.422 339 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.218 339 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.218 339 G C 1.228 176.017 174.900 -0.185 0.000 1.146 339 G CA 0.529 45.513 45.100 -0.193 0.000 0.769 339 G HN 0.287 nan 8.290 nan 0.000 0.547 340 F N 1.679 121.610 119.950 -0.032 0.000 2.146 340 F HA 0.120 4.647 4.527 -0.000 0.000 0.298 340 F C 2.988 178.774 175.800 -0.024 0.000 1.096 340 F CA 0.691 58.665 58.000 -0.043 0.000 1.275 340 F CB -0.642 38.329 39.000 -0.049 0.000 1.008 340 F HN 0.235 nan 8.300 nan 0.000 0.480 341 A N -0.116 122.806 122.820 0.169 0.000 1.930 341 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 341 A C 2.309 179.923 177.584 0.051 0.000 1.175 341 A CA 1.201 53.292 52.037 0.090 0.000 0.627 341 A CB -0.374 18.660 19.000 0.058 0.000 0.815 341 A HN 0.103 nan 8.150 nan 0.000 0.443 342 K N -0.477 119.940 120.400 0.028 0.000 2.057 342 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 342 K C 2.137 178.744 176.600 0.010 0.000 1.050 342 K CA 1.632 57.924 56.287 0.008 0.000 0.935 342 K CB -0.428 32.064 32.500 -0.014 0.000 0.715 342 K HN 0.521 nan 8.250 nan 0.000 0.439 343 Q N 1.014 120.821 119.800 0.010 0.000 2.119 343 Q HA 0.004 4.344 4.340 -0.000 0.000 0.201 343 Q C 1.845 177.868 176.000 0.039 0.000 0.972 343 Q CA 1.725 57.532 55.803 0.007 0.000 0.847 343 Q CB -0.327 28.406 28.738 -0.009 0.000 0.903 343 Q HN 0.260 nan 8.270 nan 0.000 0.433 344 A N -0.067 122.794 122.820 0.067 0.000 1.902 344 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 344 A C 2.253 179.875 177.584 0.062 0.000 1.181 344 A CA 2.136 54.219 52.037 0.075 0.000 0.623 344 A CB -1.116 17.934 19.000 0.082 0.000 0.818 344 A HN 0.590 nan 8.150 nan 0.000 0.443 345 S N -0.468 115.260 115.700 0.047 0.000 2.419 345 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 345 S C 1.271 175.897 174.600 0.043 0.000 1.019 345 S CA 1.390 59.614 58.200 0.040 0.000 0.982 345 S CB -0.203 63.014 63.200 0.028 0.000 0.789 345 S HN 0.413 nan 8.310 nan 0.000 0.490 346 K N 1.871 122.295 120.400 0.040 0.000 2.500 346 K HA 0.377 4.696 4.320 -0.000 0.000 0.206 346 K C 0.772 177.408 176.600 0.060 0.000 1.034 346 K CA 0.269 56.580 56.287 0.040 0.000 1.179 346 K CB 0.294 32.806 32.500 0.020 0.000 0.884 346 K HN 0.496 nan 8.250 nan 0.000 0.493 347 G N 0.220 109.069 108.800 0.082 0.000 3.016 347 G HA2 0.576 4.536 3.960 -0.000 0.000 0.270 347 G HA3 0.576 4.536 3.960 -0.000 0.000 0.270 347 G C -0.848 174.142 174.900 0.150 0.000 1.352 347 G CA -0.530 44.644 45.100 0.122 0.000 1.060 347 G HN -0.021 nan 8.290 nan 0.000 0.538 348 V N -2.465 117.574 119.914 0.209 0.000 2.760 348 V HA 0.692 4.812 4.120 -0.000 0.000 0.309 348 V C -2.702 173.548 176.094 0.260 0.000 1.077 348 V CA -2.529 59.905 62.300 0.223 0.000 0.910 348 V CB 2.078 34.058 31.823 0.262 0.000 1.008 348 V HN 0.628 nan 8.190 nan 0.000 0.424 349 P HA 0.198 nan 4.420 nan 0.000 0.268 349 P C -0.087 177.355 177.300 0.236 0.000 1.205 349 P CA -0.112 63.137 63.100 0.248 0.000 0.771 349 P CB 0.592 32.409 31.700 0.195 0.000 0.858 350 M N 4.465 124.151 119.600 0.142 0.000 2.250 350 M HA 0.073 4.553 4.480 -0.000 0.000 0.337 350 M C -1.693 174.530 176.300 -0.128 0.000 1.161 350 M CA -0.966 54.132 55.300 -0.336 0.000 1.088 350 M CB -0.438 31.836 32.600 -0.543 0.000 1.639 350 M HN 0.238 nan 8.290 nan 0.000 0.447 351 P HA 0.008 nan 4.420 nan 0.000 0.269 351 P C -0.278 176.994 177.300 -0.047 0.000 1.209 351 P CA 0.017 63.140 63.100 0.038 0.000 0.776 351 P CB 0.522 32.355 31.700 0.222 0.000 0.876 352 S N 1.017 116.716 115.700 -0.002 0.000 2.733 352 S HA 0.147 4.617 4.470 -0.000 0.000 0.247 352 S C 0.939 175.501 174.600 -0.063 0.000 1.043 352 S CA -0.518 57.654 58.200 -0.047 0.000 1.066 352 S CB -0.923 62.295 63.200 0.030 0.000 1.045 352 S HN 0.502 nan 8.310 nan 0.000 0.586 353 I N -0.542 120.011 120.570 -0.028 0.000 2.872 353 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 353 I C -1.803 174.226 176.117 -0.147 0.000 1.216 353 I CA -1.499 59.769 61.300 -0.053 0.000 1.424 353 I CB 0.031 37.937 38.000 -0.156 0.000 1.351 353 I HN -0.164 nan 8.210 nan 0.000 0.592 354 P HA -0.198 nan 4.420 nan 0.000 0.218 354 P C 0.977 178.213 177.300 -0.107 0.000 1.148 354 P CA 1.468 64.465 63.100 -0.171 0.000 0.822 354 P CB -0.153 31.464 31.700 -0.139 0.000 0.784 355 E N -0.847 119.284 120.200 -0.114 0.000 2.427 355 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 355 E C 1.737 178.373 176.600 0.060 0.000 1.028 355 E CA 0.564 56.933 56.400 -0.052 0.000 0.864 355 E CB -0.983 28.670 29.700 -0.077 0.000 0.813 355 E HN 0.198 nan 8.360 nan 0.000 0.514 356 M N 2.236 121.872 119.600 0.061 0.000 2.260 356 M HA -0.026 4.454 4.480 -0.000 0.000 0.261 356 M C 1.961 178.243 176.300 -0.030 0.000 1.066 356 M CA 1.669 57.031 55.300 0.104 0.000 1.082 356 M CB -0.792 31.843 32.600 0.058 0.000 1.388 356 M HN 0.142 nan 8.290 nan 0.000 0.419 357 G N -1.294 107.512 108.800 0.010 0.000 2.422 357 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 357 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 357 G C 1.376 176.307 174.900 0.052 0.000 1.140 357 G CA 0.899 46.032 45.100 0.056 0.000 0.775 357 G HN 0.406 nan 8.290 nan 0.000 0.545 358 V N 0.456 120.379 119.914 0.015 0.000 2.970 358 V HA -0.089 4.031 4.120 -0.000 0.000 0.260 358 V C 2.838 178.919 176.094 -0.022 0.000 1.100 358 V CA 0.870 63.176 62.300 0.010 0.000 1.122 358 V CB 0.299 32.131 31.823 0.015 0.000 0.721 358 V HN 0.252 nan 8.190 nan 0.000 0.483 359 V N -1.140 118.712 119.914 -0.103 0.000 2.323 359 V HA -0.214 3.905 4.120 -0.000 0.000 0.244 359 V C 2.078 178.062 176.094 -0.184 0.000 1.041 359 V CA 1.904 64.059 62.300 -0.241 0.000 1.025 359 V CB -0.691 30.857 31.823 -0.460 0.000 0.656 359 V HN 0.619 nan 8.190 nan 0.000 0.451 360 W N 0.530 121.826 121.300 -0.007 0.000 2.317 360 W HA -0.226 4.434 4.660 0.000 0.000 0.318 360 W C 2.583 179.091 176.519 -0.017 0.000 1.227 360 W CA 1.822 59.172 57.345 0.010 0.000 1.269 360 W CB -0.349 29.108 29.460 -0.004 0.000 1.155 360 W HN 0.230 nan 8.180 nan 0.000 0.484 361 E N -0.025 120.294 120.200 0.199 0.000 2.031 361 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 361 E C -0.428 176.195 176.600 0.039 0.000 0.994 361 E CA 1.744 58.198 56.400 0.090 0.000 0.800 361 E CB -1.077 28.654 29.700 0.053 0.000 0.752 361 E HN 0.040 nan 8.360 nan 0.000 0.447 362 P HA -0.116 nan 4.420 nan 0.000 0.217 362 P C 1.456 178.751 177.300 -0.008 0.000 1.150 362 P CA 1.056 64.161 63.100 0.008 0.000 0.832 362 P CB -0.024 31.674 31.700 -0.003 0.000 0.787 363 I N -1.324 119.217 120.570 -0.048 0.000 2.617 363 I HA -0.122 4.048 4.170 -0.000 0.000 0.256 363 I C 1.413 177.598 176.117 0.113 0.000 1.167 363 I CA 1.009 62.266 61.300 -0.071 0.000 1.469 363 I CB 0.002 37.769 38.000 -0.389 0.000 1.098 363 I HN -0.136 nan 8.210 nan 0.000 0.436 364 N N 1.213 119.967 118.700 0.090 0.000 2.171 364 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 364 N C 1.421 176.931 175.510 0.001 0.000 1.021 364 N CA 1.269 54.369 53.050 0.085 0.000 0.854 364 N CB -0.565 37.973 38.487 0.084 0.000 0.994 364 N HN 0.421 nan 8.380 nan 0.000 0.426 365 N N 0.630 119.265 118.700 -0.110 0.000 2.061 365 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 365 N C 1.656 176.850 175.510 -0.526 0.000 1.030 365 N CA 1.179 53.984 53.050 -0.408 0.000 0.856 365 N CB -0.088 38.196 38.487 -0.339 0.000 1.023 365 N HN 0.217 nan 8.380 nan 0.000 0.424 366 A N 1.035 123.806 122.820 -0.081 0.000 1.908 366 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 366 A C 1.719 179.352 177.584 0.083 0.000 1.181 366 A CA 1.567 53.674 52.037 0.117 0.000 0.627 366 A CB -0.887 18.183 19.000 0.116 0.000 0.818 366 A HN 0.336 nan 8.150 nan 0.000 0.445 367 H N -0.430 118.648 119.070 0.013 0.000 2.319 367 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 367 H C 2.387 177.673 175.328 -0.070 0.000 1.092 367 H CA 2.214 58.300 56.048 0.062 0.000 1.302 367 H CB -0.489 29.357 29.762 0.140 0.000 1.373 367 H HN 0.470 nan 8.280 nan 0.000 0.497 368 T N 0.528 115.053 114.554 -0.048 0.000 2.746 368 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 368 T C 1.565 176.195 174.700 -0.117 0.000 1.039 368 T CA 1.149 63.143 62.100 -0.178 0.000 1.142 368 T CB -0.385 68.325 68.868 -0.263 0.000 0.866 368 T HN 0.136 nan 8.240 nan 0.000 0.444 369 F N 1.479 121.410 119.950 -0.031 0.000 2.161 369 F HA -0.093 4.434 4.527 0.000 0.000 0.300 369 F C 2.629 178.395 175.800 -0.058 0.000 1.089 369 F CA 0.465 58.444 58.000 -0.036 0.000 1.282 369 F CB -1.394 37.597 39.000 -0.015 0.000 1.010 369 F HN 0.111 nan 8.300 nan 0.000 0.485 370 V N -1.785 118.194 119.914 0.108 0.000 2.591 370 V HA 0.082 4.201 4.120 -0.000 0.000 0.249 370 V C 2.266 178.317 176.094 -0.072 0.000 1.053 370 V CA 1.261 63.581 62.300 0.033 0.000 1.068 370 V CB -1.306 30.543 31.823 0.043 0.000 0.689 370 V HN 0.157 nan 8.190 nan 0.000 0.462 371 A N 0.108 122.759 122.820 -0.282 0.000 1.969 371 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 371 A C 2.195 179.588 177.584 -0.318 0.000 1.169 371 A CA 1.975 53.587 52.037 -0.708 0.000 0.635 371 A CB -0.568 17.584 19.000 -1.414 0.000 0.810 371 A HN 0.616 nan 8.150 nan 0.000 0.445 372 Q N -0.887 118.824 119.800 -0.148 0.000 2.432 372 Q HA 0.226 4.566 4.340 -0.000 0.000 0.205 372 Q C 1.065 177.069 176.000 0.007 0.000 0.945 372 Q CA 1.029 56.808 55.803 -0.040 0.000 0.924 372 Q CB -0.367 28.378 28.738 0.012 0.000 1.016 372 Q HN 1.013 nan 8.270 nan 0.000 0.503 373 G N 0.539 109.346 108.800 0.011 0.000 2.147 373 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 373 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 373 G C 0.856 175.772 174.900 0.027 0.000 1.005 373 G CA 0.610 45.727 45.100 0.029 0.000 0.713 373 G HN 0.253 nan 8.290 nan 0.000 0.515 374 K N -0.501 119.921 120.400 0.037 0.000 2.128 374 K HA 0.115 4.435 4.320 -0.000 0.000 0.202 374 K C 1.336 177.920 176.600 -0.027 0.000 1.050 374 K CA 1.097 57.390 56.287 0.010 0.000 0.966 374 K CB 0.145 32.661 32.500 0.026 0.000 0.759 374 K HN 0.695 nan 8.250 nan 0.000 0.454 375 Q N 0.175 119.972 119.800 -0.005 0.000 2.451 375 Q HA 0.227 4.567 4.340 -0.000 0.000 0.281 375 Q C -0.636 175.372 176.000 0.013 0.000 1.099 375 Q CA -0.630 55.157 55.803 -0.026 0.000 0.806 375 Q CB 2.052 30.742 28.738 -0.079 0.000 1.419 375 Q HN 0.088 nan 8.270 nan 0.000 0.427 376 T N -2.294 112.261 114.554 0.002 0.000 2.868 376 T HA 0.170 4.519 4.350 -0.000 0.000 0.292 376 T C -1.983 172.730 174.700 0.022 0.000 1.028 376 T CA -1.416 60.691 62.100 0.013 0.000 1.059 376 T CB 0.570 69.440 68.868 0.003 0.000 0.991 376 T HN 0.227 nan 8.240 nan 0.000 0.531 377 P HA -0.160 nan 4.420 nan 0.000 0.215 377 P C 1.763 179.076 177.300 0.021 0.000 1.163 377 P CA 1.074 64.188 63.100 0.022 0.000 0.894 377 P CB 0.076 31.780 31.700 0.008 0.000 0.791 378 E N -0.626 119.580 120.200 0.011 0.000 2.038 378 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 378 E C 2.133 178.737 176.600 0.007 0.000 1.000 378 E CA 1.426 57.831 56.400 0.008 0.000 0.803 378 E CB -0.525 29.176 29.700 0.001 0.000 0.750 378 E HN 0.206 nan 8.360 nan 0.000 0.448 379 Q N 0.453 120.253 119.800 -0.000 0.000 2.046 379 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 379 Q C 1.962 177.961 176.000 -0.000 0.000 0.975 379 Q CA 1.921 57.718 55.803 -0.011 0.000 0.836 379 Q CB -0.433 28.287 28.738 -0.030 0.000 0.896 379 Q HN 0.232 nan 8.270 nan 0.000 0.428 380 A N 0.235 123.070 122.820 0.024 0.000 1.917 380 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 380 A C 2.095 179.728 177.584 0.081 0.000 1.182 380 A CA 1.683 53.772 52.037 0.087 0.000 0.633 380 A CB -0.865 18.217 19.000 0.137 0.000 0.819 380 A HN 0.461 nan 8.150 nan 0.000 0.448 381 L N -0.662 120.589 121.223 0.046 0.000 2.072 381 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 381 L C 2.371 179.247 176.870 0.010 0.000 1.079 381 L CA 1.129 55.983 54.840 0.024 0.000 0.752 381 L CB -0.783 41.294 42.059 0.030 0.000 0.906 381 L HN 0.350 nan 8.230 nan 0.000 0.436 382 N N 0.445 119.151 118.700 0.010 0.000 2.061 382 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 382 N C 1.452 176.965 175.510 0.004 0.000 1.030 382 N CA 1.672 54.724 53.050 0.003 0.000 0.856 382 N CB -0.510 37.977 38.487 -0.002 0.000 1.023 382 N HN 0.293 nan 8.380 nan 0.000 0.424 383 D N 0.706 121.112 120.400 0.010 0.000 2.123 383 D HA -0.072 4.567 4.640 -0.000 0.000 0.196 383 D C 1.852 178.172 176.300 0.033 0.000 0.992 383 D CA 1.327 55.337 54.000 0.018 0.000 0.833 383 D CB -0.444 40.366 40.800 0.017 0.000 0.954 383 D HN 0.272 nan 8.370 nan 0.000 0.455 384 A N 0.698 123.542 122.820 0.040 0.000 1.902 384 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 384 A C 2.467 180.043 177.584 -0.014 0.000 1.181 384 A CA 2.174 54.224 52.037 0.023 0.000 0.623 384 A CB -0.863 18.140 19.000 0.006 0.000 0.818 384 A HN 0.244 nan 8.150 nan 0.000 0.443 385 V N -1.109 118.790 119.914 -0.024 0.000 2.548 385 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 385 V C 2.212 178.300 176.094 -0.009 0.000 1.055 385 V CA 2.421 64.702 62.300 -0.031 0.000 1.065 385 V CB -0.889 30.913 31.823 -0.035 0.000 0.681 385 V HN 0.605 nan 8.190 nan 0.000 0.462 386 K N 0.807 121.207 120.400 -0.000 0.000 2.057 386 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 386 K C 2.041 178.646 176.600 0.008 0.000 1.049 386 K CA 2.378 58.667 56.287 0.005 0.000 0.931 386 K CB -0.473 32.029 32.500 0.004 0.000 0.714 386 K HN 0.564 nan 8.250 nan 0.000 0.440 387 I N 0.855 121.432 120.570 0.011 0.000 2.226 387 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 387 I C 2.544 178.667 176.117 0.009 0.000 1.100 387 I CA 1.321 62.630 61.300 0.015 0.000 1.374 387 I CB -0.231 37.785 38.000 0.026 0.000 1.057 387 I HN 0.251 nan 8.210 nan 0.000 0.413 388 M N 0.306 119.906 119.600 0.001 0.000 2.080 388 M HA -0.250 4.230 4.480 -0.000 0.000 0.260 388 M C 2.298 178.607 176.300 0.016 0.000 1.068 388 M CA 1.985 57.285 55.300 -0.000 0.000 1.109 388 M CB -0.384 32.202 32.600 -0.022 0.000 1.342 388 M HN 0.075 nan 8.290 nan 0.000 0.405 389 K N -0.295 120.114 120.400 0.016 0.000 2.148 389 K HA -0.171 4.148 4.320 -0.000 0.000 0.204 389 K C 1.908 178.517 176.600 0.016 0.000 1.050 389 K CA 1.185 57.485 56.287 0.022 0.000 0.942 389 K CB -0.139 32.373 32.500 0.020 0.000 0.724 389 K HN 0.367 nan 8.250 nan 0.000 0.446 390 E N 1.002 121.209 120.200 0.012 0.000 2.047 390 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 390 E C 1.696 178.301 176.600 0.009 0.000 0.987 390 E CA 1.064 57.470 56.400 0.010 0.000 0.799 390 E CB 0.290 29.995 29.700 0.009 0.000 0.752 390 E HN 0.054 nan 8.360 nan 0.000 0.449 391 K N 0.560 120.966 120.400 0.010 0.000 2.148 391 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 391 K C 2.088 178.692 176.600 0.006 0.000 1.050 391 K CA 0.579 56.870 56.287 0.007 0.000 0.942 391 K CB -0.150 32.354 32.500 0.008 0.000 0.724 391 K HN 0.314 nan 8.250 nan 0.000 0.446 392 I N 1.445 122.022 120.570 0.011 0.000 2.335 392 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 392 I C 2.039 178.158 176.117 0.002 0.000 1.129 392 I CA 1.546 62.851 61.300 0.008 0.000 1.402 392 I CB -0.801 37.209 38.000 0.017 0.000 1.069 392 I HN 0.275 nan 8.210 nan 0.000 0.424 393 Q N 0.169 119.972 119.800 0.004 0.000 2.212 393 Q HA -0.064 4.276 4.340 -0.000 0.000 0.199 393 Q C 1.911 177.912 176.000 0.001 0.000 0.950 393 Q CA 1.520 57.325 55.803 0.002 0.000 0.863 393 Q CB -0.162 28.578 28.738 0.004 0.000 0.944 393 Q HN 0.475 nan 8.270 nan 0.000 0.465 394 T N 0.650 115.205 114.554 0.001 0.000 3.098 394 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 394 T C 1.569 176.268 174.700 -0.003 0.000 1.145 394 T CA 0.722 62.822 62.100 -0.000 0.000 1.092 394 T CB -0.030 68.839 68.868 0.000 0.000 0.908 394 T HN 0.222 nan 8.240 nan 0.000 0.526 395 M N -0.044 119.553 119.600 -0.004 0.000 2.357 395 M HA 0.147 4.627 4.480 -0.000 0.000 0.266 395 M C 0.624 176.920 176.300 -0.006 0.000 1.095 395 M CA 0.654 55.949 55.300 -0.008 0.000 1.156 395 M CB -0.043 32.549 32.600 -0.012 0.000 1.365 395 M HN -0.053 nan 8.290 nan 0.000 0.447 396 K N 1.712 122.109 120.400 -0.004 0.000 2.382 396 K HA 0.069 4.388 4.320 -0.000 0.000 0.275 396 K C -0.036 176.564 176.600 -0.001 0.000 1.009 396 K CA 0.283 56.569 56.287 -0.002 0.000 0.970 396 K CB 0.347 32.846 32.500 -0.001 0.000 0.934 396 K HN 0.090 nan 8.250 nan 0.000 0.479 397 Q N 0.000 119.800 119.800 0.001 0.000 2.315 397 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 397 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 397 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 397 Q HN 0.000 nan 8.270 nan 0.000 0.481