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 3ek1_1_H DATA FIRST_RESID 1 DATA SEQUENCE MLALKDPSLL KSQCLVNGRW IDAADGTTIK VTNPADGSVI GTVPSLSVAT DATA SEQUENCE IKEAIDASAK ALSGWAAKTA KERAGILRKW FDLIIANADD IALIMTSEQG DATA SEQUENCE KPLAEARGEV LYAASFIEWF AEEAKRVYGD TIPAPQNGQR LTVIRQPVGV DATA SEQUENCE TAAITPWNFP AAMITRKAAP ALAAGCTMIV RPADLTPLTA LALGVLAEKA DATA SEQUENCE GIPAGVLQIV TGKAREIGAE LTSNDTVRKL SFTGSTEVGR LLMAQCAPTI DATA SEQUENCE KRISLELGGN APFIVFDDAD LDAAVDGAMV SKYRNAGQTC VCANRIYVQR DATA SEQUENCE GVYDKFAEKL AAKVKELKVG NGTEPGVVIG PMIEEKAITK VKAHIEDAVS DATA SEQUENCE KGAKLITGGK ELGGLFFEPG ILTGVTSDML VAKEETFGPL APLFAFDTEE DATA SEQUENCE EVIAQANDTI FGLAAYFYTE NFSRAIRVSE ALEYGMVGHN TGLISNEVAP DATA SEQUENCE FGGVKQSGLG REGSKYGIEE YLETKYICSA YKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 L N 2.869 124.091 121.223 -0.002 0.000 2.397 2 L HA 0.639 4.979 4.340 -0.000 0.000 0.271 2 L C 0.947 177.817 176.870 -0.001 0.000 1.148 2 L CA -0.591 54.250 54.840 0.001 0.000 0.825 2 L CB 1.195 43.255 42.059 0.003 0.000 1.117 2 L HN 0.851 nan 8.230 nan 0.000 0.456 3 A N 5.694 128.514 122.820 0.001 0.000 3.030 3 A HA 0.339 4.659 4.320 -0.000 0.000 0.273 3 A C 0.045 177.628 177.584 -0.000 0.000 1.841 3 A CA -0.136 51.901 52.037 -0.000 0.000 1.479 3 A CB -1.041 17.960 19.000 0.001 0.000 1.048 3 A HN 0.571 nan 8.150 nan 0.000 0.612 4 L N 1.036 122.257 121.223 -0.003 0.000 2.312 4 L HA 0.265 4.605 4.340 -0.000 0.000 0.281 4 L C 1.246 178.113 176.870 -0.006 0.000 1.070 4 L CA -0.583 54.254 54.840 -0.004 0.000 0.805 4 L CB 1.394 43.448 42.059 -0.008 0.000 1.174 4 L HN 0.555 nan 8.230 nan 0.000 0.434 5 K N 0.409 120.806 120.400 -0.004 0.000 2.097 5 K HA -0.097 4.222 4.320 -0.000 0.000 0.205 5 K C 0.277 176.872 176.600 -0.008 0.000 1.050 5 K CA 1.057 57.341 56.287 -0.005 0.000 0.938 5 K CB 0.129 32.627 32.500 -0.003 0.000 0.718 5 K HN 0.426 nan 8.250 nan 0.000 0.442 6 D N -0.264 120.130 120.400 -0.010 0.000 2.432 6 D HA 0.118 4.758 4.640 -0.000 0.000 0.265 6 D C -2.161 174.124 176.300 -0.025 0.000 1.160 6 D CA -2.338 51.653 54.000 -0.016 0.000 0.911 6 D CB 1.234 42.027 40.800 -0.013 0.000 1.052 6 D HN -0.130 nan 8.370 nan 0.000 0.508 7 P HA -0.133 nan 4.420 nan 0.000 0.228 7 P C 1.313 178.578 177.300 -0.058 0.000 1.151 7 P CA 0.592 63.671 63.100 -0.036 0.000 0.770 7 P CB 0.094 31.775 31.700 -0.031 0.000 0.786 8 S N -0.444 115.216 115.700 -0.067 0.000 2.469 8 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 8 S C 1.854 176.373 174.600 -0.136 0.000 0.998 8 S CA 0.624 58.760 58.200 -0.106 0.000 0.957 8 S CB -1.449 61.694 63.200 -0.095 0.000 0.764 8 S HN 0.127 nan 8.310 nan 0.000 0.514 9 L N 0.085 121.257 121.223 -0.085 0.000 2.376 9 L HA 0.244 4.583 4.340 -0.000 0.000 0.219 9 L C 0.852 177.674 176.870 -0.080 0.000 1.133 9 L CA 0.123 54.920 54.840 -0.071 0.000 0.816 9 L CB -0.388 41.660 42.059 -0.019 0.000 0.933 9 L HN 0.340 nan 8.230 nan 0.000 0.449 10 L N 1.258 122.433 121.223 -0.081 0.000 2.278 10 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 10 L C -0.181 176.623 176.870 -0.111 0.000 1.072 10 L CA 0.329 55.129 54.840 -0.066 0.000 0.819 10 L CB 0.174 42.208 42.059 -0.042 0.000 1.176 10 L HN -0.131 nan 8.230 nan 0.000 0.435 11 K N 2.398 122.734 120.400 -0.107 0.000 2.267 11 K HA 0.480 4.800 4.320 -0.000 0.000 0.246 11 K C 0.339 176.921 176.600 -0.031 0.000 0.954 11 K CA -0.106 56.095 56.287 -0.143 0.000 0.824 11 K CB 1.994 34.347 32.500 -0.246 0.000 1.167 11 K HN 0.631 nan 8.250 nan 0.000 0.431 12 S N 0.136 115.829 115.700 -0.012 0.000 2.650 12 S HA 0.201 4.671 4.470 -0.000 0.000 0.240 12 S C 0.114 174.766 174.600 0.087 0.000 1.007 12 S CA -0.416 57.804 58.200 0.034 0.000 0.984 12 S CB 0.388 63.598 63.200 0.016 0.000 0.910 12 S HN 0.532 nan 8.310 nan 0.000 0.509 13 Q N -0.033 119.864 119.800 0.162 0.000 2.456 13 Q HA 0.577 4.917 4.340 -0.000 0.000 0.283 13 Q C -1.254 174.988 176.000 0.403 0.000 1.084 13 Q CA -0.917 55.044 55.803 0.264 0.000 0.801 13 Q CB 2.135 31.069 28.738 0.325 0.000 1.434 13 Q HN 0.349 nan 8.270 nan 0.000 0.419 14 C N 1.097 120.537 119.300 0.235 0.000 2.443 14 C HA 0.526 4.986 4.460 -0.000 0.000 0.369 14 C C -0.340 174.549 174.990 -0.169 0.000 1.241 14 C CA -0.532 58.536 59.018 0.084 0.000 2.413 14 C CB 0.130 27.872 27.740 0.004 0.000 2.451 14 C HN 0.654 nan 8.230 nan 0.000 0.595 15 L N 3.275 124.185 121.223 -0.523 0.000 2.264 15 L HA 0.693 5.033 4.340 -0.000 0.000 0.287 15 L C -0.653 175.912 176.870 -0.508 0.000 1.039 15 L CA 0.446 54.681 54.840 -1.009 0.000 0.829 15 L CB 0.422 41.685 42.059 -1.327 0.000 1.211 15 L HN 0.528 nan 8.230 nan 0.000 0.427 16 V N 4.455 124.129 119.914 -0.400 0.000 2.656 16 V HA 0.366 4.485 4.120 -0.000 0.000 0.307 16 V C 0.438 176.397 176.094 -0.225 0.000 1.051 16 V CA -1.016 61.138 62.300 -0.244 0.000 0.893 16 V CB 1.620 33.351 31.823 -0.153 0.000 0.999 16 V HN 0.793 nan 8.190 nan 0.000 0.426 17 N N 3.164 121.754 118.700 -0.183 0.000 2.730 17 N HA -0.225 4.515 4.740 -0.000 0.000 0.266 17 N C 1.093 176.503 175.510 -0.167 0.000 0.949 17 N CA 1.905 54.862 53.050 -0.156 0.000 0.829 17 N CB -0.888 37.535 38.487 -0.106 0.000 0.916 17 N HN 1.666 nan 8.380 nan 0.000 0.558 18 G N -1.088 107.574 108.800 -0.230 0.000 2.157 18 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 18 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 18 G C 0.087 174.862 174.900 -0.208 0.000 0.979 18 G CA 0.456 45.431 45.100 -0.208 0.000 0.650 18 G HN 0.718 nan 8.290 nan 0.000 0.529 19 R N -1.636 118.699 120.500 -0.275 0.000 2.795 19 R HA 0.577 4.917 4.340 -0.000 0.000 0.275 19 R C -1.133 174.943 176.300 -0.374 0.000 0.981 19 R CA -0.948 55.034 56.100 -0.197 0.000 0.917 19 R CB 1.148 31.403 30.300 -0.076 0.000 1.202 19 R HN 0.127 nan 8.270 nan 0.000 0.469 20 W N 3.934 125.223 121.300 -0.018 0.000 2.331 20 W HA 0.457 5.117 4.660 -0.000 0.000 0.306 20 W C 0.257 176.771 176.519 -0.009 0.000 1.162 20 W CA -0.361 56.977 57.345 -0.012 0.000 1.232 20 W CB 0.585 30.040 29.460 -0.008 0.000 1.235 20 W HN 0.429 nan 8.180 nan 0.000 0.479 21 I N -0.406 120.241 120.570 0.129 0.000 3.002 21 I HA 0.624 4.794 4.170 -0.000 0.000 0.310 21 I C -0.465 175.703 176.117 0.086 0.000 1.087 21 I CA -1.108 60.239 61.300 0.078 0.000 1.017 21 I CB 2.225 40.232 38.000 0.013 0.000 1.226 21 I HN 0.128 nan 8.210 nan 0.000 0.443 22 D N 1.873 122.309 120.400 0.060 0.000 2.442 22 D HA 0.541 5.181 4.640 -0.000 0.000 0.254 22 D C -0.223 176.097 176.300 0.032 0.000 1.069 22 D CA -0.317 53.714 54.000 0.050 0.000 1.017 22 D CB 2.083 42.909 40.800 0.043 0.000 1.172 22 D HN 0.799 nan 8.370 nan 0.000 0.561 23 A N 0.066 122.903 122.820 0.028 0.000 2.425 23 A HA 0.417 4.737 4.320 -0.000 0.000 0.242 23 A C 1.129 178.721 177.584 0.014 0.000 1.077 23 A CA 0.453 52.501 52.037 0.018 0.000 0.781 23 A CB 0.436 19.447 19.000 0.018 0.000 1.020 23 A HN 0.611 nan 8.150 nan 0.000 0.494 24 A N 1.193 124.019 122.820 0.009 0.000 1.865 24 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 24 A C 1.473 179.062 177.584 0.008 0.000 1.191 24 A CA 2.125 54.166 52.037 0.007 0.000 0.623 24 A CB -0.787 18.216 19.000 0.004 0.000 0.826 24 A HN 0.961 nan 8.150 nan 0.000 0.444 25 D N -1.712 118.693 120.400 0.008 0.000 2.352 25 D HA 0.265 4.905 4.640 -0.000 0.000 0.232 25 D C 1.156 177.462 176.300 0.010 0.000 1.055 25 D CA 0.944 54.948 54.000 0.008 0.000 0.891 25 D CB -0.834 39.970 40.800 0.006 0.000 0.897 25 D HN 0.850 nan 8.370 nan 0.000 0.529 26 G N 0.310 109.118 108.800 0.012 0.000 2.175 26 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.265 26 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.265 26 G C 0.548 175.457 174.900 0.015 0.000 0.979 26 G CA 0.924 46.033 45.100 0.015 0.000 0.663 26 G HN 0.834 nan 8.290 nan 0.000 0.533 27 T N -0.954 113.608 114.554 0.014 0.000 2.898 27 T HA 0.625 4.975 4.350 -0.000 0.000 0.301 27 T C 0.434 175.145 174.700 0.017 0.000 1.049 27 T CA 0.853 62.961 62.100 0.013 0.000 1.095 27 T CB 1.925 70.799 68.868 0.011 0.000 0.976 27 T HN 1.536 nan 8.240 nan 0.000 0.539 28 T N -0.967 113.597 114.554 0.017 0.000 2.812 28 T HA 0.699 5.049 4.350 -0.000 0.000 0.294 28 T C -0.865 173.846 174.700 0.018 0.000 1.159 28 T CA -1.059 61.053 62.100 0.021 0.000 1.008 28 T CB 1.098 69.978 68.868 0.021 0.000 1.289 28 T HN 0.684 nan 8.240 nan 0.000 0.514 29 I N 0.766 121.349 120.570 0.021 0.000 2.509 29 I HA 0.453 4.623 4.170 -0.000 0.000 0.293 29 I C -0.080 176.046 176.117 0.015 0.000 1.020 29 I CA -1.015 60.296 61.300 0.017 0.000 1.088 29 I CB 2.246 40.260 38.000 0.023 0.000 1.267 29 I HN 0.519 nan 8.210 nan 0.000 0.430 30 K N 4.387 124.791 120.400 0.007 0.000 2.143 30 K HA 0.619 4.939 4.320 -0.000 0.000 0.272 30 K C -1.154 175.447 176.600 0.001 0.000 1.001 30 K CA -0.665 55.624 56.287 0.004 0.000 0.915 30 K CB 2.156 34.655 32.500 -0.001 0.000 1.047 30 K HN 0.258 nan 8.250 nan 0.000 0.458 31 V N 2.441 122.356 119.914 0.002 0.000 2.409 31 V HA 0.250 4.370 4.120 -0.000 0.000 0.291 31 V C -0.346 175.743 176.094 -0.008 0.000 1.020 31 V CA -0.648 61.651 62.300 -0.000 0.000 0.848 31 V CB 1.662 33.492 31.823 0.012 0.000 0.990 31 V HN 0.758 nan 8.190 nan 0.000 0.430 32 T N 4.042 118.584 114.554 -0.021 0.000 2.824 32 T HA 0.289 4.638 4.350 -0.000 0.000 0.282 32 T C -0.080 174.600 174.700 -0.034 0.000 0.993 32 T CA -0.461 61.624 62.100 -0.026 0.000 0.967 32 T CB 1.120 69.968 68.868 -0.033 0.000 0.960 32 T HN 0.645 nan 8.240 nan 0.000 0.441 33 N N 4.728 123.414 118.700 -0.023 0.000 2.431 33 N HA 0.102 4.842 4.740 -0.000 0.000 0.265 33 N C -1.508 173.975 175.510 -0.045 0.000 1.184 33 N CA -1.956 51.079 53.050 -0.025 0.000 0.943 33 N CB 1.222 39.706 38.487 -0.005 0.000 1.080 33 N HN 0.240 nan 8.380 nan 0.000 0.477 34 P HA 0.008 nan 4.420 nan 0.000 0.237 34 P C 0.632 177.833 177.300 -0.165 0.000 1.178 34 P CA 0.402 63.422 63.100 -0.133 0.000 0.766 34 P CB 0.184 31.774 31.700 -0.184 0.000 0.876 35 A N 1.347 124.113 122.820 -0.090 0.000 1.968 35 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 35 A C 1.471 179.135 177.584 0.133 0.000 1.169 35 A CA 1.947 53.998 52.037 0.023 0.000 0.638 35 A CB -0.709 18.383 19.000 0.153 0.000 0.812 35 A HN 0.328 nan 8.150 nan 0.000 0.446 36 D N -5.089 115.346 120.400 0.058 0.000 2.523 36 D HA 0.247 4.887 4.640 -0.000 0.000 0.269 36 D C 0.884 177.200 176.300 0.026 0.000 1.374 36 D CA 0.816 54.854 54.000 0.063 0.000 0.820 36 D CB -0.851 39.986 40.800 0.062 0.000 1.211 36 D HN 0.786 nan 8.370 nan 0.000 0.502 37 G N 0.828 109.628 108.800 0.001 0.000 2.175 37 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.265 37 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.265 37 G C 0.422 175.318 174.900 -0.006 0.000 0.979 37 G CA 0.680 45.775 45.100 -0.009 0.000 0.663 37 G HN 1.020 nan 8.290 nan 0.000 0.533 38 S N -0.723 114.977 115.700 0.000 0.000 2.565 38 S HA 0.606 5.076 4.470 -0.000 0.000 0.276 38 S C 0.342 174.941 174.600 -0.003 0.000 1.326 38 S CA -0.420 57.781 58.200 0.001 0.000 1.045 38 S CB 2.456 65.660 63.200 0.006 0.000 0.918 38 S HN 0.902 nan 8.310 nan 0.000 0.505 39 V N 4.508 124.420 119.914 -0.003 0.000 2.470 39 V HA 0.112 4.232 4.120 -0.000 0.000 0.276 39 V C 1.207 177.301 176.094 -0.001 0.000 1.040 39 V CA -0.108 62.190 62.300 -0.003 0.000 1.008 39 V CB -0.071 31.750 31.823 -0.003 0.000 0.990 39 V HN 0.947 nan 8.190 nan 0.000 0.477 40 I N 3.474 124.044 120.570 -0.000 0.000 2.480 40 I HA 0.293 4.463 4.170 -0.000 0.000 0.251 40 I C 1.256 177.374 176.117 0.002 0.000 1.124 40 I CA 1.205 62.506 61.300 0.002 0.000 1.444 40 I CB -0.021 37.981 38.000 0.004 0.000 1.098 40 I HN 0.810 nan 8.210 nan 0.000 0.428 41 G N -0.153 108.649 108.800 0.003 0.000 2.315 41 G HA2 0.382 4.342 3.960 -0.000 0.000 0.294 41 G HA3 0.382 4.342 3.960 -0.000 0.000 0.294 41 G C -1.065 173.841 174.900 0.009 0.000 1.300 41 G CA -0.064 45.039 45.100 0.005 0.000 0.843 41 G HN 0.050 nan 8.290 nan 0.000 0.527 42 T N -2.525 112.037 114.554 0.013 0.000 2.916 42 T HA 0.869 5.219 4.350 -0.000 0.000 0.292 42 T C -0.184 174.535 174.700 0.031 0.000 1.055 42 T CA -0.121 61.991 62.100 0.020 0.000 1.009 42 T CB 1.516 70.395 68.868 0.017 0.000 1.118 42 T HN 2.035 nan 8.240 nan 0.000 0.497 43 V N -1.560 118.377 119.914 0.038 0.000 3.001 43 V HA 0.876 4.996 4.120 -0.000 0.000 0.314 43 V C -2.890 173.233 176.094 0.048 0.000 1.099 43 V CA -3.017 59.316 62.300 0.055 0.000 0.989 43 V CB 1.585 33.447 31.823 0.065 0.000 1.040 43 V HN 0.863 nan 8.190 nan 0.000 0.434 44 P HA 0.225 nan 4.420 nan 0.000 0.275 44 P C -0.405 176.917 177.300 0.037 0.000 1.266 44 P CA -0.107 63.018 63.100 0.043 0.000 0.793 44 P CB 1.061 32.789 31.700 0.047 0.000 1.074 45 S N 0.613 116.330 115.700 0.028 0.000 2.399 45 S HA 0.365 4.835 4.470 -0.000 0.000 0.215 45 S C -0.143 174.468 174.600 0.019 0.000 1.456 45 S CA -0.737 57.477 58.200 0.024 0.000 1.199 45 S CB -1.104 62.108 63.200 0.020 0.000 1.063 45 S HN 0.196 nan 8.310 nan 0.000 0.476 46 L N 3.321 124.555 121.223 0.018 0.000 2.476 46 L HA 0.372 4.712 4.340 -0.000 0.000 0.264 46 L C 1.090 177.965 176.870 0.008 0.000 1.224 46 L CA -0.491 54.356 54.840 0.011 0.000 0.821 46 L CB 0.661 42.724 42.059 0.006 0.000 1.101 46 L HN 0.708 nan 8.230 nan 0.000 0.488 47 S N -0.155 115.547 115.700 0.004 0.000 2.646 47 S HA 0.281 4.750 4.470 -0.000 0.000 0.276 47 S C 1.019 175.619 174.600 -0.001 0.000 1.222 47 S CA -0.999 57.202 58.200 0.002 0.000 1.014 47 S CB 1.724 64.924 63.200 0.001 0.000 0.991 47 S HN 0.318 nan 8.310 nan 0.000 0.533 48 V N 1.816 121.729 119.914 -0.001 0.000 2.282 48 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 48 V C 3.011 179.102 176.094 -0.005 0.000 1.057 48 V CA 2.560 64.858 62.300 -0.003 0.000 1.032 48 V CB -1.857 29.964 31.823 -0.003 0.000 0.645 48 V HN 1.037 nan 8.190 nan 0.000 0.447 49 A N -0.364 122.453 122.820 -0.005 0.000 1.917 49 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 49 A C 2.396 179.974 177.584 -0.009 0.000 1.182 49 A CA 2.738 54.772 52.037 -0.006 0.000 0.633 49 A CB -1.036 17.961 19.000 -0.005 0.000 0.819 49 A HN 0.531 nan 8.150 nan 0.000 0.448 50 T N 0.332 114.881 114.554 -0.009 0.000 2.777 50 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 50 T C 1.785 176.474 174.700 -0.018 0.000 1.040 50 T CA 1.307 63.399 62.100 -0.014 0.000 1.141 50 T CB -0.272 68.590 68.868 -0.011 0.000 0.868 50 T HN 0.303 nan 8.240 nan 0.000 0.444 51 I N 1.641 122.203 120.570 -0.014 0.000 2.208 51 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 51 I C 2.248 178.354 176.117 -0.017 0.000 1.097 51 I CA 1.414 62.704 61.300 -0.016 0.000 1.363 51 I CB -0.989 37.006 38.000 -0.008 0.000 1.051 51 I HN 0.292 nan 8.210 nan 0.000 0.413 52 K N 0.536 120.927 120.400 -0.014 0.000 2.103 52 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 52 K C 1.962 178.551 176.600 -0.018 0.000 1.048 52 K CA 1.360 57.639 56.287 -0.013 0.000 0.930 52 K CB -0.080 32.414 32.500 -0.010 0.000 0.716 52 K HN 0.460 nan 8.250 nan 0.000 0.444 53 E N 0.404 120.592 120.200 -0.021 0.000 2.072 53 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 53 E C 2.095 178.673 176.600 -0.036 0.000 0.982 53 E CA 0.822 57.206 56.400 -0.026 0.000 0.803 53 E CB -0.091 29.593 29.700 -0.027 0.000 0.755 53 E HN 0.302 nan 8.360 nan 0.000 0.453 54 A N 1.670 124.466 122.820 -0.041 0.000 1.892 54 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 54 A C 2.218 179.774 177.584 -0.047 0.000 1.188 54 A CA 1.345 53.349 52.037 -0.054 0.000 0.631 54 A CB -0.762 18.205 19.000 -0.055 0.000 0.822 54 A HN 0.143 nan 8.150 nan 0.000 0.447 55 I N -0.300 120.251 120.570 -0.032 0.000 2.127 55 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 55 I C 2.101 178.204 176.117 -0.023 0.000 1.075 55 I CA 1.787 63.072 61.300 -0.024 0.000 1.334 55 I CB -0.638 37.354 38.000 -0.014 0.000 1.040 55 I HN 0.261 nan 8.210 nan 0.000 0.405 56 D N 1.003 121.390 120.400 -0.022 0.000 2.133 56 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 56 D C 2.188 178.473 176.300 -0.026 0.000 0.997 56 D CA 1.727 55.716 54.000 -0.019 0.000 0.840 56 D CB -0.205 40.584 40.800 -0.019 0.000 0.947 56 D HN 0.387 nan 8.370 nan 0.000 0.452 57 A N -0.039 122.758 122.820 -0.038 0.000 1.969 57 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 57 A C 2.337 179.888 177.584 -0.054 0.000 1.169 57 A CA 1.766 53.774 52.037 -0.049 0.000 0.635 57 A CB -0.555 18.405 19.000 -0.066 0.000 0.810 57 A HN 0.187 nan 8.150 nan 0.000 0.445 58 S N -0.440 115.228 115.700 -0.053 0.000 2.348 58 S HA -0.047 4.423 4.470 -0.000 0.000 0.221 58 S C 2.269 176.853 174.600 -0.027 0.000 1.033 58 S CA 1.461 59.628 58.200 -0.055 0.000 1.010 58 S CB -0.450 62.722 63.200 -0.046 0.000 0.891 58 S HN 0.798 nan 8.310 nan 0.000 0.442 59 A N 1.600 124.412 122.820 -0.013 0.000 1.940 59 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 59 A C 2.146 179.734 177.584 0.005 0.000 1.176 59 A CA 1.655 53.693 52.037 0.002 0.000 0.631 59 A CB -0.595 18.406 19.000 0.001 0.000 0.814 59 A HN 0.418 nan 8.150 nan 0.000 0.446 60 K N -0.159 120.237 120.400 -0.005 0.000 2.097 60 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 60 K C 2.082 178.685 176.600 0.005 0.000 1.050 60 K CA 1.311 57.596 56.287 -0.002 0.000 0.938 60 K CB -0.388 32.105 32.500 -0.012 0.000 0.718 60 K HN 0.395 nan 8.250 nan 0.000 0.442 61 A N 1.192 124.007 122.820 -0.008 0.000 2.066 61 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 61 A C 2.015 179.640 177.584 0.067 0.000 1.157 61 A CA 0.655 52.693 52.037 0.002 0.000 0.670 61 A CB -0.352 18.609 19.000 -0.065 0.000 0.804 61 A HN 0.292 nan 8.150 nan 0.000 0.453 62 L N 0.229 121.492 121.223 0.065 0.000 1.971 62 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 62 L C 2.571 179.525 176.870 0.141 0.000 1.072 62 L CA 2.754 57.667 54.840 0.122 0.000 0.758 62 L CB -1.184 40.923 42.059 0.080 0.000 0.889 62 L HN 0.367 nan 8.230 nan 0.000 0.433 63 S N -0.669 115.082 115.700 0.084 0.000 2.368 63 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 63 S C 2.030 176.672 174.600 0.070 0.000 1.044 63 S CA 1.826 60.064 58.200 0.062 0.000 1.062 63 S CB -1.116 62.108 63.200 0.040 0.000 0.931 63 S HN 0.713 nan 8.310 nan 0.000 0.440 64 G N -0.110 108.744 108.800 0.091 0.000 2.422 64 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.218 64 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.218 64 G C 1.354 176.337 174.900 0.138 0.000 1.140 64 G CA 0.707 45.862 45.100 0.092 0.000 0.775 64 G HN 0.699 nan 8.290 nan 0.000 0.545 65 W N 1.457 122.746 121.300 -0.019 0.000 2.408 65 W HA 0.025 4.685 4.660 -0.000 0.000 0.311 65 W C 2.508 179.018 176.519 -0.015 0.000 1.190 65 W CA 1.278 58.609 57.345 -0.022 0.000 1.321 65 W CB -0.163 29.279 29.460 -0.030 0.000 1.143 65 W HN 0.294 nan 8.180 nan 0.000 0.501 66 A N 1.026 123.825 122.820 -0.034 0.000 2.024 66 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 66 A C 2.040 179.537 177.584 -0.146 0.000 1.164 66 A CA 2.319 54.277 52.037 -0.131 0.000 0.643 66 A CB -1.168 17.830 19.000 -0.003 0.000 0.806 66 A HN 0.348 nan 8.150 nan 0.000 0.451 67 A N -0.490 122.276 122.820 -0.090 0.000 2.067 67 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 67 A C 1.226 178.744 177.584 -0.111 0.000 1.156 67 A CA 0.439 52.431 52.037 -0.075 0.000 0.683 67 A CB -0.187 18.796 19.000 -0.029 0.000 0.808 67 A HN 0.520 nan 8.150 nan 0.000 0.455 68 K N 1.318 121.612 120.400 -0.178 0.000 2.440 68 K HA 0.182 4.502 4.320 -0.000 0.000 0.270 68 K C 0.611 177.092 176.600 -0.198 0.000 0.980 68 K CA 0.523 56.691 56.287 -0.199 0.000 0.953 68 K CB 0.238 32.547 32.500 -0.318 0.000 0.925 68 K HN 0.475 nan 8.250 nan 0.000 0.497 69 T N -1.091 113.375 114.554 -0.146 0.000 2.855 69 T HA 0.090 4.440 4.350 -0.000 0.000 0.314 69 T C 1.385 175.984 174.700 -0.168 0.000 1.077 69 T CA -0.138 61.886 62.100 -0.128 0.000 1.095 69 T CB 1.176 69.993 68.868 -0.085 0.000 0.987 69 T HN 0.580 nan 8.240 nan 0.000 0.546 70 A N 1.808 124.543 122.820 -0.142 0.000 1.883 70 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 70 A C 2.364 179.877 177.584 -0.119 0.000 1.186 70 A CA 2.146 54.097 52.037 -0.144 0.000 0.624 70 A CB -1.040 17.888 19.000 -0.120 0.000 0.822 70 A HN 1.031 nan 8.150 nan 0.000 0.444 71 K N 0.053 120.399 120.400 -0.090 0.000 2.059 71 K HA -0.268 4.052 4.320 -0.000 0.000 0.212 71 K C 1.889 178.455 176.600 -0.057 0.000 1.050 71 K CA 2.122 58.371 56.287 -0.063 0.000 0.927 71 K CB -0.243 32.229 32.500 -0.047 0.000 0.714 71 K HN 0.726 nan 8.250 nan 0.000 0.447 72 E N -0.159 119.994 120.200 -0.077 0.000 2.106 72 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 72 E C 2.217 178.775 176.600 -0.070 0.000 0.984 72 E CA 0.749 57.114 56.400 -0.060 0.000 0.806 72 E CB -0.104 29.558 29.700 -0.064 0.000 0.750 72 E HN 0.261 nan 8.360 nan 0.000 0.458 73 R N 0.760 121.151 120.500 -0.182 0.000 2.092 73 R HA -0.042 4.297 4.340 -0.000 0.000 0.231 73 R C 2.458 178.769 176.300 0.017 0.000 1.119 73 R CA 1.119 57.098 56.100 -0.202 0.000 0.970 73 R CB -0.351 29.672 30.300 -0.461 0.000 0.864 73 R HN 0.179 nan 8.270 nan 0.000 0.440 74 A N 0.719 123.531 122.820 -0.013 0.000 1.902 74 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 74 A C 2.360 179.986 177.584 0.070 0.000 1.181 74 A CA 1.825 53.879 52.037 0.027 0.000 0.623 74 A CB -1.106 17.879 19.000 -0.025 0.000 0.818 74 A HN 0.470 nan 8.150 nan 0.000 0.443 75 G N 0.084 108.918 108.800 0.056 0.000 2.421 75 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 75 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 75 G C 1.534 176.511 174.900 0.128 0.000 1.171 75 G CA 1.148 46.295 45.100 0.079 0.000 0.775 75 G HN 0.474 nan 8.290 nan 0.000 0.543 76 I N 0.380 121.040 120.570 0.150 0.000 2.163 76 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 76 I C 2.737 179.011 176.117 0.263 0.000 1.085 76 I CA 0.875 62.296 61.300 0.202 0.000 1.347 76 I CB -0.230 37.928 38.000 0.263 0.000 1.044 76 I HN 0.118 nan 8.210 nan 0.000 0.408 77 L N 0.022 121.422 121.223 0.296 0.000 2.141 77 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 77 L C 2.731 179.813 176.870 0.354 0.000 1.094 77 L CA 1.132 56.201 54.840 0.382 0.000 0.763 77 L CB -0.492 41.773 42.059 0.343 0.000 0.908 77 L HN 0.198 nan 8.230 nan 0.000 0.437 78 R N 0.481 121.132 120.500 0.251 0.000 2.096 78 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 78 R C 2.283 178.775 176.300 0.321 0.000 1.127 78 R CA 1.402 57.661 56.100 0.266 0.000 0.968 78 R CB 0.023 30.429 30.300 0.177 0.000 0.861 78 R HN 0.193 nan 8.270 nan 0.000 0.440 79 K N -0.567 119.989 120.400 0.260 0.000 2.032 79 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 79 K C 1.705 178.486 176.600 0.301 0.000 1.048 79 K CA 1.762 58.187 56.287 0.230 0.000 0.927 79 K CB -0.363 32.246 32.500 0.181 0.000 0.712 79 K HN 0.245 nan 8.250 nan 0.000 0.441 80 W N 1.087 122.468 121.300 0.135 0.000 2.317 80 W HA -0.271 4.389 4.660 0.000 0.000 0.318 80 W C 1.878 178.493 176.519 0.159 0.000 1.227 80 W CA 1.281 58.704 57.345 0.130 0.000 1.269 80 W CB -1.064 28.476 29.460 0.134 0.000 1.155 80 W HN 0.080 nan 8.180 nan 0.000 0.484 81 F N 2.103 122.106 119.950 0.089 0.000 2.043 81 F HA -0.322 4.205 4.527 -0.000 0.000 0.297 81 F C 2.133 177.931 175.800 -0.004 0.000 1.118 81 F CA 2.777 60.749 58.000 -0.046 0.000 1.202 81 F CB -0.943 38.060 39.000 0.004 0.000 0.965 81 F HN -0.196 nan 8.300 nan 0.000 0.482 82 D N 0.513 120.821 120.400 -0.154 0.000 2.144 82 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 82 D C 2.499 178.694 176.300 -0.175 0.000 0.984 82 D CA 1.482 55.319 54.000 -0.271 0.000 0.834 82 D CB -0.522 40.260 40.800 -0.030 0.000 0.955 82 D HN 0.368 nan 8.370 nan 0.000 0.465 83 L N 0.331 121.536 121.223 -0.031 0.000 2.083 83 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 83 L C 2.474 179.327 176.870 -0.028 0.000 1.083 83 L CA 0.679 55.533 54.840 0.022 0.000 0.752 83 L CB -0.230 41.918 42.059 0.149 0.000 0.899 83 L HN 0.008 nan 8.230 nan 0.000 0.433 84 I N -0.586 119.928 120.570 -0.093 0.000 2.252 84 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 84 I C 2.344 178.370 176.117 -0.151 0.000 1.102 84 I CA 0.881 62.111 61.300 -0.117 0.000 1.385 84 I CB -0.161 37.726 38.000 -0.190 0.000 1.064 84 I HN 0.162 nan 8.210 nan 0.000 0.414 85 I N 1.143 121.543 120.570 -0.284 0.000 2.286 85 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 85 I C 2.812 178.840 176.117 -0.149 0.000 1.115 85 I CA 1.558 62.700 61.300 -0.263 0.000 1.392 85 I CB -1.414 36.318 38.000 -0.446 0.000 1.065 85 I HN 0.178 nan 8.210 nan 0.000 0.418 86 A N 0.516 123.259 122.820 -0.129 0.000 2.019 86 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 86 A C 1.744 179.304 177.584 -0.039 0.000 1.164 86 A CA 1.370 53.366 52.037 -0.068 0.000 0.644 86 A CB -0.459 18.513 19.000 -0.047 0.000 0.805 86 A HN 0.495 nan 8.150 nan 0.000 0.449 87 N N -0.837 117.843 118.700 -0.033 0.000 2.282 87 N HA 0.283 5.023 4.740 -0.000 0.000 0.240 87 N C 1.282 176.787 175.510 -0.008 0.000 1.182 87 N CA 0.670 53.714 53.050 -0.011 0.000 0.874 87 N CB 0.601 39.092 38.487 0.007 0.000 1.126 87 N HN 0.408 nan 8.380 nan 0.000 0.516 88 A N 1.158 123.966 122.820 -0.020 0.000 1.940 88 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 88 A C 1.840 179.428 177.584 0.007 0.000 1.176 88 A CA 1.352 53.383 52.037 -0.009 0.000 0.631 88 A CB -0.116 18.874 19.000 -0.017 0.000 0.814 88 A HN 0.152 nan 8.150 nan 0.000 0.446 89 D N -0.043 120.359 120.400 0.004 0.000 2.097 89 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 89 D C 1.246 177.554 176.300 0.013 0.000 0.984 89 D CA 1.481 55.487 54.000 0.009 0.000 0.826 89 D CB -0.326 40.477 40.800 0.005 0.000 0.973 89 D HN 0.366 nan 8.370 nan 0.000 0.460 90 D N 0.697 121.103 120.400 0.010 0.000 2.117 90 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 90 D C 2.323 178.634 176.300 0.019 0.000 0.987 90 D CA 0.383 54.390 54.000 0.011 0.000 0.829 90 D CB -0.302 40.502 40.800 0.006 0.000 0.961 90 D HN 0.280 nan 8.370 nan 0.000 0.460 91 I N 1.154 121.738 120.570 0.024 0.000 2.208 91 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 91 I C 2.459 178.600 176.117 0.040 0.000 1.097 91 I CA 1.165 62.487 61.300 0.036 0.000 1.363 91 I CB -0.254 37.770 38.000 0.039 0.000 1.051 91 I HN -0.074 nan 8.210 nan 0.000 0.413 92 A N 0.604 123.446 122.820 0.037 0.000 1.933 92 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 92 A C 2.243 179.849 177.584 0.036 0.000 1.175 92 A CA 1.411 53.473 52.037 0.042 0.000 0.628 92 A CB -0.701 18.322 19.000 0.038 0.000 0.814 92 A HN 0.386 nan 8.150 nan 0.000 0.444 93 L N 0.142 121.382 121.223 0.028 0.000 2.017 93 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 93 L C 2.210 179.095 176.870 0.026 0.000 1.073 93 L CA 1.728 56.582 54.840 0.024 0.000 0.745 93 L CB -0.543 41.527 42.059 0.017 0.000 0.894 93 L HN 0.436 nan 8.230 nan 0.000 0.432 94 I N -0.986 119.600 120.570 0.027 0.000 2.163 94 I HA -0.371 3.798 4.170 -0.000 0.000 0.243 94 I C 2.612 178.751 176.117 0.037 0.000 1.085 94 I CA 2.070 63.388 61.300 0.029 0.000 1.347 94 I CB -0.309 37.710 38.000 0.032 0.000 1.044 94 I HN 0.441 nan 8.210 nan 0.000 0.408 95 M N 0.233 119.860 119.600 0.045 0.000 2.059 95 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 95 M C 2.407 178.732 176.300 0.041 0.000 1.072 95 M CA 2.135 57.466 55.300 0.052 0.000 1.117 95 M CB -0.280 32.358 32.600 0.063 0.000 1.320 95 M HN 0.119 nan 8.290 nan 0.000 0.408 96 T N 0.723 115.299 114.554 0.037 0.000 2.699 96 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 96 T C 1.794 176.508 174.700 0.023 0.000 1.036 96 T CA 1.974 64.092 62.100 0.030 0.000 1.147 96 T CB -0.288 68.600 68.868 0.033 0.000 0.862 96 T HN 0.516 nan 8.240 nan 0.000 0.446 97 S N 1.332 117.045 115.700 0.022 0.000 2.348 97 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 97 S C 2.141 176.745 174.600 0.007 0.000 1.033 97 S CA 1.612 59.821 58.200 0.016 0.000 1.010 97 S CB -0.314 62.896 63.200 0.016 0.000 0.891 97 S HN 0.843 nan 8.310 nan 0.000 0.442 98 E N 1.145 121.354 120.200 0.014 0.000 2.230 98 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 98 E C 1.904 178.504 176.600 -0.001 0.000 0.987 98 E CA 0.993 57.398 56.400 0.009 0.000 0.841 98 E CB -0.154 29.562 29.700 0.027 0.000 0.783 98 E HN 0.579 nan 8.360 nan 0.000 0.481 99 Q N 0.081 119.889 119.800 0.014 0.000 2.431 99 Q HA 0.260 4.600 4.340 -0.000 0.000 0.244 99 Q C 1.500 177.494 176.000 -0.010 0.000 0.880 99 Q CA 1.292 57.109 55.803 0.023 0.000 0.954 99 Q CB 0.959 29.750 28.738 0.088 0.000 1.105 99 Q HN 0.261 nan 8.270 nan 0.000 0.558 100 G N 0.818 109.611 108.800 -0.013 0.000 2.352 100 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.204 100 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.204 100 G C -0.259 174.641 174.900 -0.000 0.000 1.004 100 G CA -0.160 44.920 45.100 -0.033 0.000 0.648 100 G HN 0.565 nan 8.290 nan 0.000 0.491 101 K N 1.594 121.999 120.400 0.008 0.000 2.414 101 K HA 0.471 4.791 4.320 -0.000 0.000 0.272 101 K C -2.613 174.007 176.600 0.032 0.000 0.993 101 K CA -1.095 55.201 56.287 0.016 0.000 0.964 101 K CB 0.605 33.103 32.500 -0.003 0.000 0.925 101 K HN 0.120 nan 8.250 nan 0.000 0.487 102 P HA -0.038 nan 4.420 nan 0.000 0.269 102 P C 0.684 178.007 177.300 0.039 0.000 1.215 102 P CA -0.153 62.973 63.100 0.043 0.000 0.780 102 P CB 0.441 32.166 31.700 0.042 0.000 0.898 103 L N 1.633 122.878 121.223 0.036 0.000 2.089 103 L HA -0.308 4.032 4.340 -0.000 0.000 0.213 103 L C 2.335 179.226 176.870 0.035 0.000 1.079 103 L CA 2.316 57.176 54.840 0.034 0.000 0.758 103 L CB -0.961 41.114 42.059 0.028 0.000 0.891 103 L HN 0.441 nan 8.230 nan 0.000 0.433 104 A N -0.845 121.994 122.820 0.032 0.000 1.969 104 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 104 A C 2.196 179.804 177.584 0.041 0.000 1.169 104 A CA 1.306 53.361 52.037 0.031 0.000 0.635 104 A CB -0.311 18.703 19.000 0.024 0.000 0.810 104 A HN 0.434 nan 8.150 nan 0.000 0.445 105 E N -0.224 120.003 120.200 0.045 0.000 2.047 105 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 105 E C 2.374 179.021 176.600 0.079 0.000 0.987 105 E CA 0.929 57.365 56.400 0.060 0.000 0.799 105 E CB -0.256 29.477 29.700 0.054 0.000 0.752 105 E HN 0.599 nan 8.360 nan 0.000 0.449 106 A N 1.545 124.405 122.820 0.067 0.000 1.902 106 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 106 A C 2.102 179.735 177.584 0.081 0.000 1.181 106 A CA 1.507 53.590 52.037 0.076 0.000 0.623 106 A CB -0.464 18.570 19.000 0.058 0.000 0.818 106 A HN 0.074 nan 8.150 nan 0.000 0.443 107 R N -0.745 119.793 120.500 0.063 0.000 2.070 107 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 107 R C 2.354 178.698 176.300 0.072 0.000 1.137 107 R CA 1.572 57.706 56.100 0.056 0.000 0.945 107 R CB -0.760 29.564 30.300 0.040 0.000 0.845 107 R HN 0.477 nan 8.270 nan 0.000 0.430 108 G N 0.580 109.424 108.800 0.073 0.000 2.476 108 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.218 108 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.218 108 G C 1.252 176.230 174.900 0.131 0.000 1.164 108 G CA 1.085 46.233 45.100 0.079 0.000 0.768 108 G HN 0.547 nan 8.290 nan 0.000 0.560 109 E N -0.114 120.185 120.200 0.164 0.000 2.077 109 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 109 E C 2.614 179.358 176.600 0.240 0.000 0.989 109 E CA 1.146 57.704 56.400 0.264 0.000 0.800 109 E CB -0.118 29.777 29.700 0.326 0.000 0.746 109 E HN 0.263 nan 8.360 nan 0.000 0.452 110 V N 1.382 121.389 119.914 0.154 0.000 2.295 110 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 110 V C 2.461 178.617 176.094 0.103 0.000 1.049 110 V CA 1.538 63.902 62.300 0.107 0.000 1.024 110 V CB -0.413 31.448 31.823 0.063 0.000 0.648 110 V HN 0.369 nan 8.190 nan 0.000 0.447 111 L N -1.196 120.093 121.223 0.111 0.000 2.083 111 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 111 L C 2.509 179.477 176.870 0.163 0.000 1.083 111 L CA 1.994 56.903 54.840 0.114 0.000 0.752 111 L CB -0.730 41.385 42.059 0.093 0.000 0.899 111 L HN 0.458 nan 8.230 nan 0.000 0.433 112 Y N 0.900 121.228 120.300 0.047 0.000 2.200 112 Y HA -0.214 4.336 4.550 0.000 0.000 0.290 112 Y C 2.450 178.434 175.900 0.140 0.000 1.137 112 Y CA 1.167 59.286 58.100 0.032 0.000 1.163 112 Y CB -0.285 38.184 38.460 0.015 0.000 0.988 112 Y HN 0.070 nan 8.280 nan 0.000 0.518 113 A N 0.706 123.580 122.820 0.090 0.000 1.898 113 A HA -0.025 4.294 4.320 -0.000 0.000 0.216 113 A C 2.450 180.078 177.584 0.073 0.000 1.181 113 A CA 1.683 53.745 52.037 0.041 0.000 0.620 113 A CB -1.494 17.531 19.000 0.041 0.000 0.819 113 A HN 0.608 nan 8.150 nan 0.000 0.442 114 A N 0.566 123.432 122.820 0.076 0.000 1.908 114 A HA -0.157 4.162 4.320 -0.000 0.000 0.218 114 A C 2.521 180.233 177.584 0.215 0.000 1.181 114 A CA 2.530 54.665 52.037 0.164 0.000 0.627 114 A CB -1.105 18.013 19.000 0.197 0.000 0.818 114 A HN 1.097 nan 8.150 nan 0.000 0.445 115 S N -0.720 115.018 115.700 0.064 0.000 2.383 115 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 115 S C 1.716 176.132 174.600 -0.307 0.000 1.030 115 S CA 1.620 59.716 58.200 -0.174 0.000 1.002 115 S CB -0.907 62.142 63.200 -0.251 0.000 0.829 115 S HN 0.398 nan 8.310 nan 0.000 0.467 116 F N 1.752 121.630 119.950 -0.120 0.000 2.126 116 F HA 0.053 4.580 4.527 -0.000 0.000 0.299 116 F C 2.259 178.151 175.800 0.153 0.000 1.096 116 F CA 1.149 59.162 58.000 0.021 0.000 1.255 116 F CB -0.545 38.461 39.000 0.009 0.000 0.997 116 F HN 0.208 nan 8.300 nan 0.000 0.479 117 I N -0.426 120.257 120.570 0.189 0.000 2.252 117 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 117 I C 2.499 178.612 176.117 -0.007 0.000 1.102 117 I CA 1.410 62.790 61.300 0.133 0.000 1.385 117 I CB -0.483 37.511 38.000 -0.010 0.000 1.064 117 I HN 0.176 nan 8.210 nan 0.000 0.414 118 E N 0.920 120.921 120.200 -0.332 0.000 2.051 118 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 118 E C 2.177 178.613 176.600 -0.273 0.000 0.991 118 E CA 1.363 57.401 56.400 -0.603 0.000 0.799 118 E CB -0.255 28.685 29.700 -1.267 0.000 0.748 118 E HN 0.599 nan 8.360 nan 0.000 0.449 119 W N 0.401 121.460 121.300 -0.401 0.000 2.333 119 W HA -0.254 4.406 4.660 0.000 0.000 0.316 119 W C 1.465 177.741 176.519 -0.404 0.000 1.215 119 W CA 1.205 58.278 57.345 -0.454 0.000 1.278 119 W CB -0.443 28.631 29.460 -0.643 0.000 1.154 119 W HN 0.114 nan 8.180 nan 0.000 0.486 120 F N 0.943 120.891 119.950 -0.003 0.000 2.367 120 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 120 F C 2.692 178.426 175.800 -0.109 0.000 1.094 120 F CA 1.477 59.435 58.000 -0.071 0.000 1.409 120 F CB -1.369 37.699 39.000 0.113 0.000 1.064 120 F HN -0.101 nan 8.300 nan 0.000 0.528 121 A N 0.224 123.075 122.820 0.052 0.000 1.908 121 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 121 A C 2.153 179.670 177.584 -0.111 0.000 1.181 121 A CA 2.052 54.093 52.037 0.006 0.000 0.627 121 A CB -0.734 18.271 19.000 0.009 0.000 0.818 121 A HN 0.431 nan 8.150 nan 0.000 0.445 122 E N -0.627 119.426 120.200 -0.244 0.000 2.047 122 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 122 E C 2.019 178.382 176.600 -0.394 0.000 0.987 122 E CA 1.023 57.219 56.400 -0.340 0.000 0.799 122 E CB -0.139 29.285 29.700 -0.461 0.000 0.752 122 E HN 0.502 nan 8.360 nan 0.000 0.449 123 E N 0.603 120.500 120.200 -0.505 0.000 2.153 123 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 123 E C 2.045 178.517 176.600 -0.212 0.000 0.988 123 E CA 0.900 57.061 56.400 -0.399 0.000 0.811 123 E CB -0.230 29.312 29.700 -0.263 0.000 0.746 123 E HN 0.244 nan 8.360 nan 0.000 0.466 124 A N 1.592 124.339 122.820 -0.122 0.000 1.986 124 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 124 A C 1.890 179.381 177.584 -0.155 0.000 1.171 124 A CA 1.533 53.514 52.037 -0.093 0.000 0.640 124 A CB -0.344 18.621 19.000 -0.060 0.000 0.811 124 A HN 0.150 nan 8.150 nan 0.000 0.451 125 K N -1.010 119.279 120.400 -0.185 0.000 2.487 125 K HA 0.093 4.413 4.320 -0.000 0.000 0.192 125 K C 0.657 177.069 176.600 -0.312 0.000 1.027 125 K CA 0.370 56.544 56.287 -0.189 0.000 1.054 125 K CB 0.159 32.574 32.500 -0.142 0.000 0.824 125 K HN 0.356 nan 8.250 nan 0.000 0.510 126 R N 0.642 120.868 120.500 -0.455 0.000 2.629 126 R HA 0.150 4.490 4.340 -0.000 0.000 0.408 126 R C -0.622 175.141 176.300 -0.895 0.000 1.057 126 R CA -0.165 55.377 56.100 -0.930 0.000 1.119 126 R CB 1.150 31.065 30.300 -0.642 0.000 1.403 126 R HN -0.131 nan 8.270 nan 0.000 0.576 127 V N 2.978 122.600 119.914 -0.487 0.000 2.341 127 V HA 0.034 4.154 4.120 -0.000 0.000 0.248 127 V C -0.525 175.444 176.094 -0.208 0.000 1.107 127 V CA 0.200 62.343 62.300 -0.262 0.000 1.069 127 V CB -0.709 31.045 31.823 -0.115 0.000 1.177 127 V HN 0.150 nan 8.190 nan 0.000 0.492 128 Y N 2.920 123.223 120.300 0.005 0.000 2.327 128 Y HA 0.639 5.189 4.550 -0.000 0.000 0.336 128 Y C 0.959 176.871 175.900 0.019 0.000 1.035 128 Y CA -0.612 57.491 58.100 0.005 0.000 1.165 128 Y CB 1.157 39.617 38.460 0.000 0.000 1.181 128 Y HN 0.578 nan 8.280 nan 0.000 0.494 129 G N 1.745 110.657 108.800 0.187 0.000 2.568 129 G HA2 0.480 4.440 3.960 -0.000 0.000 0.293 129 G HA3 0.480 4.440 3.960 -0.000 0.000 0.293 129 G C -0.970 173.987 174.900 0.095 0.000 1.347 129 G CA -0.755 44.417 45.100 0.120 0.000 1.039 129 G HN 0.508 nan 8.290 nan 0.000 0.523 130 D N -0.633 119.810 120.400 0.071 0.000 2.527 130 D HA 0.492 5.132 4.640 -0.000 0.000 0.233 130 D C -0.288 176.038 176.300 0.044 0.000 1.063 130 D CA -0.186 53.843 54.000 0.048 0.000 0.880 130 D CB 1.966 42.795 40.800 0.048 0.000 1.457 130 D HN 0.515 nan 8.370 nan 0.000 0.475 131 T N -1.677 112.893 114.554 0.026 0.000 2.855 131 T HA 0.771 5.121 4.350 -0.000 0.000 0.281 131 T C -0.077 174.637 174.700 0.024 0.000 1.007 131 T CA -0.696 61.421 62.100 0.028 0.000 1.009 131 T CB 0.819 69.694 68.868 0.012 0.000 0.983 131 T HN 0.287 nan 8.240 nan 0.000 0.455 132 I N 3.213 123.805 120.570 0.035 0.000 2.499 132 I HA 0.366 4.536 4.170 -0.000 0.000 0.288 132 I C -2.474 173.662 176.117 0.032 0.000 1.048 132 I CA -2.786 58.529 61.300 0.025 0.000 1.062 132 I CB 2.536 40.546 38.000 0.017 0.000 1.238 132 I HN 0.445 nan 8.210 nan 0.000 0.426 133 P HA 0.053 nan 4.420 nan 0.000 0.262 133 P C -0.594 176.729 177.300 0.037 0.000 1.182 133 P CA -0.082 63.034 63.100 0.027 0.000 0.761 133 P CB 0.542 32.252 31.700 0.017 0.000 0.795 134 A N 5.898 128.750 122.820 0.053 0.000 2.328 134 A HA 0.416 4.736 4.320 -0.000 0.000 0.284 134 A C -1.098 176.517 177.584 0.052 0.000 1.160 134 A CA -1.030 51.047 52.037 0.067 0.000 0.818 134 A CB -0.250 18.807 19.000 0.095 0.000 1.087 134 A HN 0.414 nan 8.150 nan 0.000 0.504 135 P HA -0.089 nan 4.420 nan 0.000 0.225 135 P C -0.006 177.314 177.300 0.034 0.000 1.148 135 P CA 1.239 64.358 63.100 0.032 0.000 0.779 135 P CB 0.235 31.951 31.700 0.027 0.000 0.780 136 Q N -0.295 119.531 119.800 0.044 0.000 2.337 136 Q HA 0.304 4.644 4.340 -0.000 0.000 0.266 136 Q C -0.464 175.561 176.000 0.042 0.000 1.023 136 Q CA -0.794 55.030 55.803 0.035 0.000 0.829 136 Q CB 1.480 30.236 28.738 0.031 0.000 1.306 136 Q HN 0.021 nan 8.270 nan 0.000 0.449 137 N N 0.100 118.816 118.700 0.026 0.000 2.395 137 N HA 0.179 4.919 4.740 -0.000 0.000 0.246 137 N C 0.744 176.249 175.510 -0.009 0.000 1.246 137 N CA 1.412 54.477 53.050 0.024 0.000 0.879 137 N CB 0.345 38.833 38.487 0.001 0.000 1.098 137 N HN 0.878 nan 8.380 nan 0.000 0.444 138 G N 0.004 108.788 108.800 -0.026 0.000 2.143 138 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.249 138 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.249 138 G C -0.252 174.635 174.900 -0.021 0.000 0.981 138 G CA -0.011 44.919 45.100 -0.284 0.000 0.665 138 G HN 0.561 nan 8.290 nan 0.000 0.528 139 Q N -1.052 118.866 119.800 0.198 0.000 2.451 139 Q HA 0.774 5.114 4.340 -0.000 0.000 0.281 139 Q C -0.466 175.670 176.000 0.227 0.000 1.099 139 Q CA -1.105 54.831 55.803 0.223 0.000 0.806 139 Q CB 1.797 30.608 28.738 0.121 0.000 1.419 139 Q HN 0.153 nan 8.270 nan 0.000 0.427 140 R N 1.339 121.931 120.500 0.152 0.000 2.574 140 R HA 0.539 4.879 4.340 -0.000 0.000 0.288 140 R C -1.287 175.065 176.300 0.088 0.000 1.004 140 R CA -0.538 55.610 56.100 0.080 0.000 0.895 140 R CB 1.320 31.617 30.300 -0.004 0.000 1.191 140 R HN 0.576 nan 8.270 nan 0.000 0.444 141 L N 1.836 123.126 121.223 0.112 0.000 2.307 141 L HA 0.641 4.981 4.340 -0.000 0.000 0.284 141 L C 0.105 177.057 176.870 0.137 0.000 1.023 141 L CA -0.626 54.326 54.840 0.187 0.000 0.810 141 L CB 1.915 44.128 42.059 0.257 0.000 1.231 141 L HN 0.428 nan 8.230 nan 0.000 0.423 142 T N 1.774 116.420 114.554 0.153 0.000 2.900 142 T HA 0.592 4.941 4.350 -0.000 0.000 0.295 142 T C -0.671 174.122 174.700 0.156 0.000 1.044 142 T CA -0.457 61.707 62.100 0.107 0.000 0.995 142 T CB 2.703 71.602 68.868 0.053 0.000 1.072 142 T HN 0.221 nan 8.240 nan 0.000 0.473 143 V N 4.035 124.020 119.914 0.119 0.000 2.531 143 V HA 0.638 4.758 4.120 -0.000 0.000 0.301 143 V C -0.245 175.901 176.094 0.088 0.000 1.034 143 V CA -0.842 61.531 62.300 0.122 0.000 0.865 143 V CB 1.293 33.179 31.823 0.104 0.000 0.995 143 V HN 0.832 nan 8.190 nan 0.000 0.424 144 I N 2.334 122.951 120.570 0.078 0.000 2.957 144 I HA 0.811 4.981 4.170 -0.000 0.000 0.310 144 I C -0.581 175.572 176.117 0.060 0.000 1.063 144 I CA -1.128 60.209 61.300 0.061 0.000 1.033 144 I CB 2.407 40.432 38.000 0.042 0.000 1.230 144 I HN 0.445 nan 8.210 nan 0.000 0.447 145 R N 2.922 123.452 120.500 0.051 0.000 2.513 145 R HA 0.582 4.922 4.340 -0.000 0.000 0.301 145 R C -1.297 175.023 176.300 0.034 0.000 0.968 145 R CA -0.645 55.484 56.100 0.048 0.000 0.872 145 R CB 2.277 32.609 30.300 0.054 0.000 1.177 145 R HN 0.673 nan 8.270 nan 0.000 0.444 146 Q N 2.282 122.104 119.800 0.037 0.000 2.456 146 Q HA 0.459 4.798 4.340 -0.000 0.000 0.283 146 Q C -2.598 173.428 176.000 0.043 0.000 1.084 146 Q CA -2.504 53.316 55.803 0.028 0.000 0.801 146 Q CB 2.730 31.482 28.738 0.023 0.000 1.434 146 Q HN 0.303 nan 8.270 nan 0.000 0.419 147 P HA -0.050 nan 4.420 nan 0.000 0.268 147 P C 0.438 177.783 177.300 0.076 0.000 1.204 147 P CA 0.107 63.251 63.100 0.073 0.000 0.768 147 P CB 0.824 32.568 31.700 0.074 0.000 0.842 148 V N 2.010 121.980 119.914 0.093 0.000 2.407 148 V HA -0.036 4.084 4.120 -0.000 0.000 0.248 148 V C 1.632 177.768 176.094 0.069 0.000 1.055 148 V CA 2.717 65.059 62.300 0.070 0.000 1.049 148 V CB -1.317 30.544 31.823 0.063 0.000 0.662 148 V HN 1.056 nan 8.190 nan 0.000 0.455 149 G N -1.200 107.656 108.800 0.092 0.000 2.178 149 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.147 149 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.147 149 G C -0.669 174.285 174.900 0.089 0.000 1.245 149 G CA -0.198 44.952 45.100 0.082 0.000 1.275 149 G HN 0.147 nan 8.290 nan 0.000 0.491 150 V N 2.409 122.361 119.914 0.063 0.000 2.461 150 V HA 0.606 4.726 4.120 -0.000 0.000 0.275 150 V C 0.777 176.907 176.094 0.061 0.000 1.047 150 V CA 0.702 63.032 62.300 0.050 0.000 0.955 150 V CB 0.654 32.493 31.823 0.026 0.000 0.988 150 V HN 1.324 nan 8.190 nan 0.000 0.471 151 T N 2.082 116.678 114.554 0.070 0.000 2.893 151 T HA 0.861 5.211 4.350 -0.000 0.000 0.291 151 T C -0.583 174.163 174.700 0.076 0.000 1.028 151 T CA -0.641 61.520 62.100 0.103 0.000 0.995 151 T CB 2.086 71.080 68.868 0.210 0.000 1.051 151 T HN 0.968 nan 8.240 nan 0.000 0.470 152 A N 1.241 124.111 122.820 0.083 0.000 2.343 152 A HA 0.911 5.231 4.320 -0.000 0.000 0.316 152 A C -0.174 177.469 177.584 0.099 0.000 1.104 152 A CA -0.861 51.217 52.037 0.068 0.000 0.768 152 A CB 1.033 20.063 19.000 0.051 0.000 1.213 152 A HN 1.538 nan 8.150 nan 0.000 0.456 153 A N 2.422 125.297 122.820 0.093 0.000 2.342 153 A HA 0.780 5.100 4.320 -0.000 0.000 0.323 153 A C -0.753 176.899 177.584 0.113 0.000 1.125 153 A CA -0.393 51.710 52.037 0.110 0.000 0.785 153 A CB 0.568 19.622 19.000 0.091 0.000 1.221 153 A HN 0.749 nan 8.150 nan 0.000 0.463 154 I N 2.568 123.237 120.570 0.165 0.000 2.389 154 I HA 0.423 4.593 4.170 -0.000 0.000 0.288 154 I C 0.285 176.500 176.117 0.163 0.000 0.999 154 I CA -0.251 61.172 61.300 0.205 0.000 1.129 154 I CB 2.238 40.434 38.000 0.326 0.000 1.288 154 I HN 0.776 nan 8.210 nan 0.000 0.444 155 T N 3.936 118.547 114.554 0.096 0.000 2.924 155 T HA 0.701 5.051 4.350 -0.000 0.000 0.291 155 T C -2.746 171.965 174.700 0.019 0.000 1.045 155 T CA -2.056 60.051 62.100 0.012 0.000 1.015 155 T CB 2.323 71.203 68.868 0.020 0.000 1.103 155 T HN 0.229 nan 8.240 nan 0.000 0.496 156 P HA 0.290 nan 4.420 nan 0.000 0.284 156 P C 0.797 178.069 177.300 -0.047 0.000 1.292 156 P CA -0.873 62.166 63.100 -0.101 0.000 0.800 156 P CB 0.957 32.481 31.700 -0.293 0.000 1.188 157 W N 1.118 122.438 121.300 0.033 0.000 2.737 157 W HA -0.027 4.633 4.660 -0.000 0.000 0.262 157 W C 0.972 177.479 176.519 -0.020 0.000 1.282 157 W CA 0.654 58.008 57.345 0.015 0.000 1.386 157 W CB -1.815 27.648 29.460 0.005 0.000 1.099 157 W HN 0.245 nan 8.180 nan 0.000 0.621 158 N N 2.010 120.314 118.700 -0.660 0.000 2.188 158 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 158 N C -0.195 174.909 175.510 -0.676 0.000 1.018 158 N CA 0.865 53.516 53.050 -0.665 0.000 0.858 158 N CB -1.243 36.714 38.487 -0.883 0.000 0.989 158 N HN 0.060 nan 8.380 nan 0.000 0.426 159 F N 0.613 120.511 119.950 -0.087 0.000 2.564 159 F HA 0.438 4.965 4.527 -0.000 0.000 0.368 159 F C -1.730 174.078 175.800 0.013 0.000 1.127 159 F CA -2.157 55.841 58.000 -0.004 0.000 1.170 159 F CB 2.116 41.121 39.000 0.008 0.000 1.397 159 F HN -0.099 nan 8.300 nan 0.000 0.493 160 P HA -0.025 nan 4.420 nan 0.000 0.233 160 P C 0.998 178.370 177.300 0.120 0.000 1.167 160 P CA 0.899 64.073 63.100 0.122 0.000 0.770 160 P CB 0.533 32.303 31.700 0.117 0.000 0.837 161 A N 0.231 123.134 122.820 0.138 0.000 1.938 161 A HA 0.407 4.727 4.320 -0.000 0.000 0.207 161 A C 2.341 179.963 177.584 0.063 0.000 1.292 161 A CA 0.957 53.056 52.037 0.103 0.000 0.700 161 A CB -1.193 17.872 19.000 0.107 0.000 0.947 161 A HN 0.112 nan 8.150 nan 0.000 0.476 162 A N -0.412 122.466 122.820 0.096 0.000 1.930 162 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 162 A C 2.084 179.567 177.584 -0.168 0.000 1.175 162 A CA 1.857 53.868 52.037 -0.044 0.000 0.627 162 A CB -0.517 18.523 19.000 0.067 0.000 0.815 162 A HN 0.401 nan 8.150 nan 0.000 0.443 163 M N -0.660 118.912 119.600 -0.047 0.000 2.374 163 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 163 M C 1.912 178.159 176.300 -0.089 0.000 1.067 163 M CA 1.016 56.258 55.300 -0.096 0.000 1.103 163 M CB -1.107 31.472 32.600 -0.035 0.000 1.402 163 M HN 0.418 nan 8.290 nan 0.000 0.444 164 I N 0.125 120.673 120.570 -0.036 0.000 2.277 164 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 164 I C 2.554 178.653 176.117 -0.029 0.000 1.094 164 I CA 1.633 62.934 61.300 0.002 0.000 1.393 164 I CB -0.492 37.549 38.000 0.069 0.000 1.078 164 I HN 0.342 nan 8.210 nan 0.000 0.417 165 T N -1.292 113.211 114.554 -0.085 0.000 2.821 165 T HA -0.130 4.219 4.350 -0.000 0.000 0.267 165 T C 2.012 176.608 174.700 -0.173 0.000 1.046 165 T CA 0.758 62.800 62.100 -0.096 0.000 1.139 165 T CB -0.427 68.371 68.868 -0.117 0.000 0.871 165 T HN 0.208 nan 8.240 nan 0.000 0.454 166 R N 1.164 121.383 120.500 -0.468 0.000 2.170 166 R HA -0.014 4.326 4.340 -0.000 0.000 0.242 166 R C 2.406 178.550 176.300 -0.259 0.000 1.145 166 R CA 1.499 57.213 56.100 -0.643 0.000 0.984 166 R CB -0.098 29.694 30.300 -0.846 0.000 0.869 166 R HN 0.490 nan 8.270 nan 0.000 0.455 167 K N -1.040 119.259 120.400 -0.168 0.000 2.240 167 K HA 0.170 4.490 4.320 -0.000 0.000 0.202 167 K C 1.950 178.418 176.600 -0.220 0.000 1.053 167 K CA 0.684 56.912 56.287 -0.098 0.000 0.973 167 K CB 0.157 32.663 32.500 0.011 0.000 0.924 167 K HN 0.028 nan 8.250 nan 0.000 0.477 168 A N 1.522 124.287 122.820 -0.092 0.000 1.968 168 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 168 A C 2.310 179.886 177.584 -0.014 0.000 1.169 168 A CA 1.650 53.668 52.037 -0.032 0.000 0.638 168 A CB -0.628 18.470 19.000 0.163 0.000 0.812 168 A HN 0.290 nan 8.150 nan 0.000 0.446 169 A N 0.591 123.427 122.820 0.027 0.000 1.858 169 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 169 A C 0.410 177.901 177.584 -0.156 0.000 1.190 169 A CA 1.770 53.879 52.037 0.119 0.000 0.617 169 A CB -1.451 17.746 19.000 0.329 0.000 0.827 169 A HN 0.502 nan 8.150 nan 0.000 0.443 170 P HA -0.057 nan 4.420 nan 0.000 0.217 170 P C 1.629 178.553 177.300 -0.626 0.000 1.151 170 P CA 1.808 64.334 63.100 -0.957 0.000 0.828 170 P CB -0.169 30.771 31.700 -1.268 0.000 0.788 171 A N 0.228 122.496 122.820 -0.921 0.000 1.865 171 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 171 A C 2.214 179.720 177.584 -0.129 0.000 1.191 171 A CA 1.831 53.449 52.037 -0.699 0.000 0.623 171 A CB -1.675 16.950 19.000 -0.624 0.000 0.826 171 A HN 0.090 nan 8.150 nan 0.000 0.444 172 L N -0.532 120.685 121.223 -0.009 0.000 2.093 172 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 172 L C 2.966 180.057 176.870 0.368 0.000 1.085 172 L CA 1.680 56.700 54.840 0.300 0.000 0.755 172 L CB -0.955 41.252 42.059 0.245 0.000 0.904 172 L HN 0.404 nan 8.230 nan 0.000 0.435 173 A N -0.470 122.447 122.820 0.163 0.000 1.902 173 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 173 A C 2.410 180.012 177.584 0.031 0.000 1.181 173 A CA 1.717 53.818 52.037 0.106 0.000 0.623 173 A CB -0.887 18.189 19.000 0.127 0.000 0.818 173 A HN 0.363 nan 8.150 nan 0.000 0.443 174 A N -2.039 120.798 122.820 0.028 0.000 2.172 174 A HA 0.353 4.673 4.320 -0.000 0.000 0.216 174 A C 1.870 179.462 177.584 0.013 0.000 1.154 174 A CA 1.496 53.551 52.037 0.031 0.000 0.701 174 A CB -0.897 18.153 19.000 0.085 0.000 0.789 174 A HN 1.987 nan 8.150 nan 0.000 0.465 175 G N -2.626 106.193 108.800 0.032 0.000 2.144 175 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 175 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 175 G C 0.156 175.199 174.900 0.238 0.000 0.988 175 G CA -0.084 44.990 45.100 -0.043 0.000 0.659 175 G HN 0.585 nan 8.290 nan 0.000 0.522 176 C N 1.236 120.705 119.300 0.283 0.000 2.422 176 C HA 0.842 5.302 4.460 -0.000 0.000 0.364 176 C C 1.311 176.447 174.990 0.242 0.000 1.251 176 C CA 0.413 59.575 59.018 0.241 0.000 2.441 176 C CB 0.942 28.787 27.740 0.176 0.000 2.393 176 C HN 0.850 nan 8.230 nan 0.000 0.606 177 T N 0.102 114.716 114.554 0.100 0.000 2.944 177 T HA 0.708 5.058 4.350 -0.000 0.000 0.284 177 T C -0.731 173.944 174.700 -0.041 0.000 1.010 177 T CA -0.619 61.442 62.100 -0.065 0.000 1.025 177 T CB 1.365 70.189 68.868 -0.075 0.000 1.079 177 T HN 0.780 nan 8.240 nan 0.000 0.516 178 M N 1.722 121.265 119.600 -0.096 0.000 2.433 178 M HA 0.590 5.070 4.480 -0.000 0.000 0.290 178 M C -2.117 174.145 176.300 -0.065 0.000 1.173 178 M CA -0.964 54.307 55.300 -0.048 0.000 0.905 178 M CB 1.926 34.500 32.600 -0.042 0.000 1.692 178 M HN 0.685 nan 8.290 nan 0.000 0.462 179 I N 4.477 125.030 120.570 -0.028 0.000 2.362 179 I HA 0.470 4.639 4.170 -0.000 0.000 0.289 179 I C -0.885 175.232 176.117 0.001 0.000 0.994 179 I CA -1.085 60.197 61.300 -0.031 0.000 1.158 179 I CB 1.623 39.608 38.000 -0.026 0.000 1.315 179 I HN 0.356 nan 8.210 nan 0.000 0.451 180 V N 6.547 126.461 119.914 -0.001 0.000 2.398 180 V HA 0.423 4.543 4.120 -0.000 0.000 0.286 180 V C 0.161 176.277 176.094 0.038 0.000 1.026 180 V CA -0.712 61.606 62.300 0.031 0.000 0.868 180 V CB 1.707 33.555 31.823 0.041 0.000 0.982 180 V HN 0.707 nan 8.190 nan 0.000 0.443 181 R N 6.809 127.344 120.500 0.058 0.000 2.275 181 R HA 0.440 4.780 4.340 -0.000 0.000 0.326 181 R C -2.644 173.708 176.300 0.086 0.000 0.973 181 R CA -1.661 54.479 56.100 0.066 0.000 0.854 181 R CB 1.812 32.152 30.300 0.067 0.000 1.156 181 R HN 0.497 nan 8.270 nan 0.000 0.487 182 P HA 0.155 nan 4.420 nan 0.000 0.276 182 P C -0.865 176.502 177.300 0.112 0.000 1.261 182 P CA -0.444 62.716 63.100 0.099 0.000 0.800 182 P CB 0.899 32.660 31.700 0.101 0.000 1.066 183 A N 1.183 124.083 122.820 0.134 0.000 2.477 183 A HA 0.066 4.386 4.320 -0.000 0.000 0.246 183 A C 1.104 178.769 177.584 0.134 0.000 1.078 183 A CA 0.008 52.144 52.037 0.165 0.000 0.770 183 A CB -0.681 18.472 19.000 0.254 0.000 1.011 183 A HN 0.482 nan 8.150 nan 0.000 0.494 184 D N 1.532 121.997 120.400 0.109 0.000 2.158 184 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 184 D C 1.646 177.977 176.300 0.052 0.000 0.995 184 D CA 1.517 55.558 54.000 0.068 0.000 0.846 184 D CB -0.141 40.687 40.800 0.047 0.000 0.941 184 D HN 0.590 nan 8.370 nan 0.000 0.456 185 L N -0.407 120.847 121.223 0.051 0.000 2.291 185 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 185 L C 0.852 177.749 176.870 0.046 0.000 1.120 185 L CA 1.134 55.974 54.840 -0.000 0.000 0.799 185 L CB -0.144 41.844 42.059 -0.119 0.000 0.925 185 L HN 0.083 nan 8.230 nan 0.000 0.446 186 T N -5.038 109.582 114.554 0.108 0.000 3.816 186 T HA 0.258 4.608 4.350 -0.000 0.000 0.232 186 T C -2.186 172.580 174.700 0.110 0.000 1.125 186 T CA -0.908 61.260 62.100 0.112 0.000 1.609 186 T CB 0.739 69.704 68.868 0.162 0.000 0.805 186 T HN -0.111 nan 8.240 nan 0.000 0.647 187 P HA 0.265 nan 4.420 nan 0.000 0.245 187 P C 1.453 178.814 177.300 0.101 0.000 1.203 187 P CA -0.158 63.001 63.100 0.099 0.000 0.792 187 P CB 0.302 32.056 31.700 0.090 0.000 0.997 188 L N -0.370 120.903 121.223 0.085 0.000 2.093 188 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 188 L C 2.411 179.332 176.870 0.086 0.000 1.085 188 L CA 1.764 56.650 54.840 0.076 0.000 0.755 188 L CB -1.759 40.331 42.059 0.051 0.000 0.904 188 L HN -0.027 nan 8.230 nan 0.000 0.435 189 T N 0.175 114.782 114.554 0.089 0.000 2.746 189 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 189 T C 2.085 176.859 174.700 0.124 0.000 1.039 189 T CA 1.287 63.445 62.100 0.097 0.000 1.142 189 T CB -0.300 68.625 68.868 0.096 0.000 0.866 189 T HN 0.438 nan 8.240 nan 0.000 0.444 190 A N 1.548 124.447 122.820 0.132 0.000 1.883 190 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 190 A C 2.319 180.023 177.584 0.199 0.000 1.186 190 A CA 1.386 53.516 52.037 0.155 0.000 0.624 190 A CB -0.927 18.153 19.000 0.134 0.000 0.822 190 A HN 0.494 nan 8.150 nan 0.000 0.444 191 L N -0.953 120.393 121.223 0.205 0.000 2.141 191 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 191 L C 3.066 180.090 176.870 0.257 0.000 1.094 191 L CA 0.818 55.841 54.840 0.304 0.000 0.763 191 L CB -0.601 41.624 42.059 0.276 0.000 0.908 191 L HN 0.447 nan 8.230 nan 0.000 0.437 192 A N 0.510 123.423 122.820 0.155 0.000 1.883 192 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 192 A C 2.262 179.966 177.584 0.201 0.000 1.186 192 A CA 1.505 53.613 52.037 0.119 0.000 0.624 192 A CB -0.725 18.324 19.000 0.081 0.000 0.822 192 A HN 0.351 nan 8.150 nan 0.000 0.444 193 L N -0.687 120.686 121.223 0.250 0.000 2.083 193 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 193 L C 2.841 179.991 176.870 0.467 0.000 1.083 193 L CA 0.967 56.041 54.840 0.390 0.000 0.752 193 L CB -0.858 41.420 42.059 0.365 0.000 0.899 193 L HN 0.509 nan 8.230 nan 0.000 0.433 194 G N -0.134 108.879 108.800 0.355 0.000 2.491 194 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 194 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 194 G C 1.593 176.723 174.900 0.383 0.000 1.180 194 G CA 1.064 46.348 45.100 0.307 0.000 0.774 194 G HN 0.190 nan 8.290 nan 0.000 0.562 195 V N 0.985 121.171 119.914 0.453 0.000 2.324 195 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 195 V C 2.896 179.115 176.094 0.209 0.000 1.060 195 V CA 1.826 64.306 62.300 0.300 0.000 1.042 195 V CB -0.435 31.407 31.823 0.033 0.000 0.650 195 V HN 0.363 nan 8.190 nan 0.000 0.450 196 L N -0.413 120.953 121.223 0.239 0.000 2.240 196 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 196 L C 2.667 179.642 176.870 0.174 0.000 1.106 196 L CA 0.923 55.921 54.840 0.264 0.000 0.793 196 L CB -0.757 41.516 42.059 0.358 0.000 0.927 196 L HN 0.327 nan 8.230 nan 0.000 0.446 197 A N 0.430 123.197 122.820 -0.088 0.000 1.865 197 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 197 A C 2.204 179.597 177.584 -0.318 0.000 1.191 197 A CA 1.871 53.488 52.037 -0.700 0.000 0.623 197 A CB -0.472 18.038 19.000 -0.815 0.000 0.826 197 A HN 0.424 nan 8.150 nan 0.000 0.444 198 E N -0.758 119.371 120.200 -0.118 0.000 2.077 198 E HA -0.225 4.124 4.350 -0.000 0.000 0.193 198 E C 2.147 178.741 176.600 -0.011 0.000 0.989 198 E CA 1.459 57.830 56.400 -0.048 0.000 0.800 198 E CB -0.138 29.609 29.700 0.079 0.000 0.746 198 E HN 0.651 nan 8.360 nan 0.000 0.452 199 K N 0.540 120.961 120.400 0.034 0.000 2.097 199 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 199 K C 2.009 178.639 176.600 0.051 0.000 1.049 199 K CA 1.076 57.395 56.287 0.054 0.000 0.933 199 K CB -0.052 32.496 32.500 0.081 0.000 0.717 199 K HN 0.063 nan 8.250 nan 0.000 0.442 200 A N -0.012 122.835 122.820 0.044 0.000 2.067 200 A HA 0.059 4.378 4.320 -0.000 0.000 0.219 200 A C 1.451 179.060 177.584 0.042 0.000 1.158 200 A CA 1.411 53.494 52.037 0.076 0.000 0.661 200 A CB -0.435 18.640 19.000 0.125 0.000 0.801 200 A HN 0.576 nan 8.150 nan 0.000 0.452 201 G N -1.581 107.210 108.800 -0.014 0.000 2.143 201 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.175 201 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.175 201 G C 0.009 174.882 174.900 -0.044 0.000 1.004 201 G CA -0.122 44.977 45.100 -0.002 0.000 0.671 201 G HN 0.386 nan 8.290 nan 0.000 0.512 202 I N 2.427 122.895 120.570 -0.170 0.000 2.505 202 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 202 I C -1.349 174.600 176.117 -0.281 0.000 1.104 202 I CA -1.672 59.434 61.300 -0.324 0.000 1.387 202 I CB 0.677 38.352 38.000 -0.541 0.000 1.404 202 I HN -0.058 nan 8.210 nan 0.000 0.528 203 P HA 0.019 nan 4.420 nan 0.000 0.269 203 P C -0.410 176.766 177.300 -0.206 0.000 1.217 203 P CA -0.386 62.623 63.100 -0.151 0.000 0.783 203 P CB 0.468 32.130 31.700 -0.064 0.000 0.898 204 A N 1.763 124.495 122.820 -0.147 0.000 2.567 204 A HA 0.359 4.679 4.320 -0.000 0.000 0.240 204 A C 1.613 179.093 177.584 -0.174 0.000 1.053 204 A CA 0.901 52.843 52.037 -0.159 0.000 0.755 204 A CB -1.568 17.366 19.000 -0.110 0.000 0.978 204 A HN 0.906 nan 8.150 nan 0.000 0.507 205 G N 1.084 109.762 108.800 -0.204 0.000 2.253 205 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 205 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 205 G C 1.009 175.772 174.900 -0.228 0.000 0.998 205 G CA 0.719 45.708 45.100 -0.185 0.000 0.621 205 G HN 1.252 nan 8.290 nan 0.000 0.524 206 V N -0.019 119.696 119.914 -0.332 0.000 2.307 206 V HA 0.206 4.326 4.120 -0.000 0.000 0.245 206 V C 1.294 177.127 176.094 -0.434 0.000 1.045 206 V CA 2.050 64.049 62.300 -0.502 0.000 1.024 206 V CB -0.156 31.102 31.823 -0.942 0.000 0.651 206 V HN 0.517 nan 8.190 nan 0.000 0.449 207 L N 0.606 121.581 121.223 -0.414 0.000 2.333 207 L HA 0.531 4.871 4.340 -0.000 0.000 0.280 207 L C -0.667 176.041 176.870 -0.270 0.000 1.004 207 L CA 0.103 54.746 54.840 -0.328 0.000 0.820 207 L CB 1.585 43.405 42.059 -0.399 0.000 1.247 207 L HN 0.240 nan 8.230 nan 0.000 0.416 208 Q N 5.359 125.040 119.800 -0.199 0.000 2.372 208 Q HA 0.655 4.995 4.340 -0.000 0.000 0.273 208 Q C -1.423 174.501 176.000 -0.128 0.000 1.078 208 Q CA -0.606 55.083 55.803 -0.189 0.000 0.806 208 Q CB 3.069 31.709 28.738 -0.163 0.000 1.332 208 Q HN 0.602 nan 8.270 nan 0.000 0.435 209 I N 2.310 122.798 120.570 -0.138 0.000 2.410 209 I HA 0.412 4.582 4.170 -0.000 0.000 0.286 209 I C -0.572 175.517 176.117 -0.046 0.000 1.009 209 I CA -1.126 60.140 61.300 -0.057 0.000 1.111 209 I CB 1.555 39.548 38.000 -0.012 0.000 1.262 209 I HN 0.294 nan 8.210 nan 0.000 0.443 210 V N 2.137 122.044 119.914 -0.013 0.000 2.540 210 V HA 0.782 4.902 4.120 -0.000 0.000 0.302 210 V C 0.063 176.173 176.094 0.027 0.000 1.035 210 V CA -0.350 61.948 62.300 -0.003 0.000 0.873 210 V CB 1.386 33.202 31.823 -0.012 0.000 0.992 210 V HN 0.785 nan 8.190 nan 0.000 0.428 211 T N 1.232 115.808 114.554 0.036 0.000 2.888 211 T HA 0.993 5.343 4.350 -0.000 0.000 0.284 211 T C 0.216 174.939 174.700 0.037 0.000 1.017 211 T CA -0.031 62.097 62.100 0.048 0.000 1.022 211 T CB 1.482 70.386 68.868 0.061 0.000 1.013 211 T HN 2.087 nan 8.240 nan 0.000 0.465 212 G N 1.170 109.993 108.800 0.038 0.000 2.327 212 G HA2 0.362 4.322 3.960 -0.000 0.000 0.291 212 G HA3 0.362 4.322 3.960 -0.000 0.000 0.291 212 G C -1.742 173.177 174.900 0.031 0.000 1.290 212 G CA -1.239 43.879 45.100 0.030 0.000 0.857 212 G HN 0.796 nan 8.290 nan 0.000 0.520 213 K N 0.577 120.991 120.400 0.024 0.000 2.368 213 K HA 0.488 4.807 4.320 -0.000 0.000 0.282 213 K C 1.458 178.073 176.600 0.025 0.000 1.035 213 K CA 0.329 56.630 56.287 0.023 0.000 0.973 213 K CB 1.605 34.114 32.500 0.015 0.000 0.957 213 K HN 0.690 nan 8.250 nan 0.000 0.474 214 A N 3.757 126.596 122.820 0.032 0.000 1.892 214 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 214 A C 2.159 179.750 177.584 0.012 0.000 1.188 214 A CA 1.866 53.924 52.037 0.034 0.000 0.631 214 A CB -0.385 18.643 19.000 0.047 0.000 0.822 214 A HN 0.869 nan 8.150 nan 0.000 0.447 215 R N -0.831 119.672 120.500 0.004 0.000 2.090 215 R HA -0.123 4.216 4.340 -0.000 0.000 0.228 215 R C 1.920 178.215 176.300 -0.009 0.000 1.110 215 R CA 1.608 57.702 56.100 -0.009 0.000 0.973 215 R CB -0.148 30.147 30.300 -0.009 0.000 0.869 215 R HN 0.497 nan 8.270 nan 0.000 0.440 216 E N 0.389 120.588 120.200 -0.001 0.000 2.072 216 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 216 E C 1.818 178.418 176.600 -0.001 0.000 0.982 216 E CA 1.218 57.617 56.400 -0.002 0.000 0.803 216 E CB -0.014 29.687 29.700 0.002 0.000 0.755 216 E HN 0.354 nan 8.360 nan 0.000 0.453 217 I N -0.031 120.541 120.570 0.004 0.000 2.233 217 I HA -0.131 4.039 4.170 -0.000 0.000 0.243 217 I C 2.343 178.462 176.117 0.003 0.000 1.093 217 I CA 1.186 62.490 61.300 0.006 0.000 1.380 217 I CB -0.653 37.357 38.000 0.016 0.000 1.067 217 I HN 0.184 nan 8.210 nan 0.000 0.413 218 G N 0.757 109.556 108.800 -0.002 0.000 2.440 218 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 218 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 218 G C 1.868 176.753 174.900 -0.026 0.000 1.154 218 G CA 0.896 45.985 45.100 -0.018 0.000 0.767 218 G HN 0.487 nan 8.290 nan 0.000 0.552 219 A N 0.609 123.415 122.820 -0.023 0.000 1.933 219 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 219 A C 2.196 179.771 177.584 -0.015 0.000 1.175 219 A CA 2.243 54.267 52.037 -0.022 0.000 0.628 219 A CB -0.352 18.637 19.000 -0.019 0.000 0.814 219 A HN 0.395 nan 8.150 nan 0.000 0.444 220 E N 0.213 120.407 120.200 -0.010 0.000 2.072 220 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 220 E C 1.781 178.378 176.600 -0.006 0.000 0.982 220 E CA 1.062 57.458 56.400 -0.007 0.000 0.803 220 E CB -0.423 29.274 29.700 -0.005 0.000 0.755 220 E HN 0.580 nan 8.360 nan 0.000 0.453 221 L N 0.259 121.479 121.223 -0.004 0.000 2.201 221 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 221 L C 2.338 179.207 176.870 -0.001 0.000 1.105 221 L CA 1.673 56.514 54.840 0.001 0.000 0.775 221 L CB -0.534 41.531 42.059 0.010 0.000 0.913 221 L HN 0.292 nan 8.230 nan 0.000 0.440 222 T N -5.059 109.489 114.554 -0.009 0.000 3.057 222 T HA -0.010 4.340 4.350 -0.000 0.000 0.254 222 T C 1.809 176.502 174.700 -0.012 0.000 1.094 222 T CA 0.661 62.753 62.100 -0.013 0.000 1.088 222 T CB 0.024 68.876 68.868 -0.027 0.000 0.934 222 T HN 0.357 nan 8.240 nan 0.000 0.497 223 S N 0.696 116.390 115.700 -0.010 0.000 2.483 223 S HA 0.152 4.622 4.470 -0.000 0.000 0.221 223 S C 0.898 175.495 174.600 -0.005 0.000 1.030 223 S CA -0.487 57.708 58.200 -0.009 0.000 0.925 223 S CB -0.606 62.588 63.200 -0.010 0.000 0.795 223 S HN 0.414 nan 8.310 nan 0.000 0.511 224 N N 2.434 121.131 118.700 -0.004 0.000 2.452 224 N HA 0.052 4.792 4.740 -0.000 0.000 0.266 224 N C -0.310 175.200 175.510 0.000 0.000 1.209 224 N CA 0.283 53.332 53.050 -0.002 0.000 0.929 224 N CB 0.931 39.417 38.487 -0.002 0.000 1.063 224 N HN 0.109 nan 8.380 nan 0.000 0.472 225 D N 2.179 122.579 120.400 0.000 0.000 2.310 225 D HA -0.066 4.574 4.640 -0.000 0.000 0.212 225 D C 1.097 177.400 176.300 0.005 0.000 0.965 225 D CA 1.152 55.154 54.000 0.002 0.000 0.879 225 D CB 0.294 41.095 40.800 0.002 0.000 0.921 225 D HN 0.567 nan 8.370 nan 0.000 0.510 226 T N -0.358 114.199 114.554 0.005 0.000 2.942 226 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 226 T C 0.982 175.690 174.700 0.013 0.000 1.062 226 T CA 0.229 62.334 62.100 0.008 0.000 1.139 226 T CB 0.312 69.182 68.868 0.004 0.000 0.883 226 T HN -0.093 nan 8.240 nan 0.000 0.468 227 V N 2.976 122.897 119.914 0.012 0.000 2.439 227 V HA 0.187 4.307 4.120 -0.000 0.000 0.271 227 V C 1.071 177.176 176.094 0.018 0.000 1.040 227 V CA 0.140 62.451 62.300 0.018 0.000 1.002 227 V CB 0.727 32.559 31.823 0.016 0.000 1.000 227 V HN 0.318 nan 8.190 nan 0.000 0.477 228 R N 2.783 123.298 120.500 0.025 0.000 2.397 228 R HA 0.253 4.593 4.340 -0.000 0.000 0.241 228 R C 0.103 176.411 176.300 0.013 0.000 0.914 228 R CA -0.228 55.884 56.100 0.020 0.000 1.071 228 R CB 0.488 30.803 30.300 0.025 0.000 1.116 228 R HN 0.547 nan 8.270 nan 0.000 0.524 229 K N 0.956 121.367 120.400 0.020 0.000 2.575 229 K HA 0.217 4.537 4.320 -0.000 0.000 0.255 229 K C -2.210 174.407 176.600 0.027 0.000 0.953 229 K CA -0.634 55.656 56.287 0.005 0.000 0.840 229 K CB 1.229 33.727 32.500 -0.005 0.000 1.303 229 K HN -0.041 nan 8.250 nan 0.000 0.438 230 L N 2.321 123.554 121.223 0.017 0.000 2.346 230 L HA 0.804 5.144 4.340 -0.000 0.000 0.274 230 L C -1.213 175.693 176.870 0.059 0.000 1.007 230 L CA 0.112 54.981 54.840 0.050 0.000 0.818 230 L CB 2.219 44.303 42.059 0.042 0.000 1.284 230 L HN 0.650 nan 8.230 nan 0.000 0.424 231 S N 4.440 120.208 115.700 0.113 0.000 2.594 231 S HA 0.701 5.171 4.470 -0.000 0.000 0.296 231 S C -1.445 173.271 174.600 0.194 0.000 1.124 231 S CA -0.445 57.831 58.200 0.128 0.000 1.011 231 S CB 0.516 63.802 63.200 0.144 0.000 1.016 231 S HN 0.537 nan 8.310 nan 0.000 0.485 232 F N 3.715 123.681 119.950 0.027 0.000 2.547 232 F HA 0.677 5.204 4.527 -0.000 0.000 0.316 232 F C -0.710 175.104 175.800 0.024 0.000 1.121 232 F CA -0.184 57.831 58.000 0.025 0.000 0.911 232 F CB 2.072 41.085 39.000 0.021 0.000 1.179 232 F HN 0.446 nan 8.300 nan 0.000 0.443 233 T N 4.830 118.850 114.554 -0.890 0.000 2.809 233 T HA 0.816 5.166 4.350 -0.000 0.000 0.284 233 T C -0.080 173.902 174.700 -1.197 0.000 0.992 233 T CA -0.174 61.409 62.100 -0.862 0.000 0.957 233 T CB 1.132 69.782 68.868 -0.363 0.000 0.942 233 T HN 1.144 nan 8.240 nan 0.000 0.439 234 G N 1.833 110.045 108.800 -0.979 0.000 2.404 234 G HA2 0.406 4.366 3.960 -0.000 0.000 0.253 234 G HA3 0.406 4.366 3.960 -0.000 0.000 0.253 234 G C -0.490 174.384 174.900 -0.043 0.000 1.253 234 G CA -0.304 44.534 45.100 -0.436 0.000 0.917 234 G HN 0.961 nan 8.290 nan 0.000 0.480 235 S N -0.297 115.499 115.700 0.160 0.000 2.568 235 S HA 0.354 4.824 4.470 -0.000 0.000 0.282 235 S C 1.489 176.244 174.600 0.259 0.000 1.338 235 S CA 1.231 59.516 58.200 0.141 0.000 1.045 235 S CB 1.099 64.363 63.200 0.106 0.000 0.873 235 S HN 1.033 nan 8.310 nan 0.000 0.516 236 T N 2.497 117.173 114.554 0.204 0.000 2.746 236 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 236 T C 1.503 176.299 174.700 0.160 0.000 1.039 236 T CA 1.887 64.126 62.100 0.233 0.000 1.142 236 T CB -0.574 68.485 68.868 0.319 0.000 0.866 236 T HN 0.764 nan 8.240 nan 0.000 0.444 237 E N 0.801 121.078 120.200 0.128 0.000 2.049 237 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 237 E C 2.354 178.969 176.600 0.025 0.000 1.007 237 E CA 0.971 57.414 56.400 0.071 0.000 0.809 237 E CB -0.792 28.946 29.700 0.063 0.000 0.749 237 E HN 0.281 nan 8.360 nan 0.000 0.450 238 V N 0.217 120.147 119.914 0.026 0.000 2.358 238 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 238 V C 2.240 178.170 176.094 -0.274 0.000 1.047 238 V CA 1.943 64.167 62.300 -0.127 0.000 1.035 238 V CB -1.094 30.649 31.823 -0.133 0.000 0.658 238 V HN 0.447 nan 8.190 nan 0.000 0.452 239 G N -0.219 108.514 108.800 -0.112 0.000 2.422 239 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 239 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 239 G C 1.743 176.623 174.900 -0.032 0.000 1.146 239 G CA 0.633 45.701 45.100 -0.054 0.000 0.769 239 G HN 0.424 nan 8.290 nan 0.000 0.547 240 R N -0.280 120.223 120.500 0.004 0.000 2.091 240 R HA 0.011 4.351 4.340 -0.000 0.000 0.238 240 R C 2.589 178.866 176.300 -0.039 0.000 1.136 240 R CA 1.084 57.181 56.100 -0.004 0.000 0.959 240 R CB -0.427 29.880 30.300 0.010 0.000 0.856 240 R HN 0.353 nan 8.270 nan 0.000 0.437 241 L N 0.321 121.503 121.223 -0.069 0.000 2.044 241 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 241 L C 2.393 179.203 176.870 -0.100 0.000 1.075 241 L CA 1.037 55.831 54.840 -0.078 0.000 0.747 241 L CB -0.465 41.542 42.059 -0.085 0.000 0.903 241 L HN 0.157 nan 8.230 nan 0.000 0.435 242 L N -0.732 120.391 121.223 -0.166 0.000 2.013 242 L HA -0.297 4.042 4.340 -0.000 0.000 0.212 242 L C 2.717 179.535 176.870 -0.086 0.000 1.073 242 L CA 1.590 56.331 54.840 -0.164 0.000 0.753 242 L CB -0.416 41.467 42.059 -0.293 0.000 0.890 242 L HN 0.358 nan 8.230 nan 0.000 0.432 243 M N -0.511 119.052 119.600 -0.062 0.000 2.108 243 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 243 M C 2.354 178.637 176.300 -0.028 0.000 1.066 243 M CA 2.033 57.316 55.300 -0.028 0.000 1.107 243 M CB -0.104 32.491 32.600 -0.009 0.000 1.356 243 M HN 0.287 nan 8.290 nan 0.000 0.406 244 A N -0.048 122.752 122.820 -0.033 0.000 1.877 244 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 244 A C 1.898 179.465 177.584 -0.029 0.000 1.186 244 A CA 1.891 53.912 52.037 -0.027 0.000 0.620 244 A CB -0.862 18.121 19.000 -0.027 0.000 0.822 244 A HN 0.699 nan 8.150 nan 0.000 0.443 245 Q N -1.218 118.559 119.800 -0.038 0.000 2.181 245 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 245 Q C 2.123 178.107 176.000 -0.027 0.000 0.980 245 Q CA 1.544 57.326 55.803 -0.035 0.000 0.862 245 Q CB -0.450 28.260 28.738 -0.047 0.000 0.905 245 Q HN 0.752 nan 8.270 nan 0.000 0.429 246 C N -0.181 119.104 119.300 -0.026 0.000 2.448 246 C HA 0.027 4.487 4.460 -0.000 0.000 0.280 246 C C 2.691 177.674 174.990 -0.013 0.000 1.398 246 C CA 0.360 59.368 59.018 -0.017 0.000 1.774 246 C CB -1.047 26.683 27.740 -0.015 0.000 1.888 246 C HN 0.590 nan 8.230 nan 0.000 0.519 247 A N 1.832 124.644 122.820 -0.014 0.000 1.902 247 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 247 A C 0.172 177.751 177.584 -0.009 0.000 1.181 247 A CA 1.582 53.612 52.037 -0.011 0.000 0.623 247 A CB -1.733 17.260 19.000 -0.012 0.000 0.818 247 A HN 0.431 nan 8.150 nan 0.000 0.443 248 P HA -0.099 nan 4.420 nan 0.000 0.219 248 P C 1.158 178.455 177.300 -0.005 0.000 1.146 248 P CA 1.919 65.015 63.100 -0.007 0.000 0.808 248 P CB -0.126 31.569 31.700 -0.008 0.000 0.779 249 T N -4.574 109.976 114.554 -0.005 0.000 3.129 249 T HA 0.185 4.535 4.350 -0.000 0.000 0.267 249 T C 0.649 175.347 174.700 -0.003 0.000 1.018 249 T CA -0.447 61.651 62.100 -0.003 0.000 0.903 249 T CB -0.581 68.286 68.868 -0.002 0.000 1.067 249 T HN -0.142 nan 8.240 nan 0.000 0.549 250 I N 0.606 121.173 120.570 -0.004 0.000 6.532 250 I HA -0.224 3.946 4.170 -0.000 0.000 0.126 250 I C 0.126 176.240 176.117 -0.005 0.000 1.811 250 I CA 0.539 61.837 61.300 -0.004 0.000 2.115 250 I CB -2.467 35.532 38.000 -0.002 0.000 3.474 250 I HN 0.542 nan 8.210 nan 0.000 0.192 251 K N 1.920 122.316 120.400 -0.006 0.000 2.258 251 K HA 0.278 4.598 4.320 -0.000 0.000 0.264 251 K C 0.947 177.540 176.600 -0.012 0.000 1.007 251 K CA -0.729 55.554 56.287 -0.006 0.000 0.941 251 K CB 0.932 33.430 32.500 -0.004 0.000 0.966 251 K HN 0.153 nan 8.250 nan 0.000 0.480 252 R N 1.851 122.340 120.500 -0.019 0.000 2.590 252 R HA 0.238 4.578 4.340 -0.000 0.000 0.274 252 R C 0.072 176.348 176.300 -0.040 0.000 1.061 252 R CA -0.005 56.073 56.100 -0.036 0.000 1.081 252 R CB 0.136 30.402 30.300 -0.057 0.000 0.984 252 R HN 0.637 nan 8.270 nan 0.000 0.448 253 I N 0.408 120.955 120.570 -0.039 0.000 2.656 253 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 253 I C -0.998 175.106 176.117 -0.023 0.000 1.144 253 I CA -0.286 61.002 61.300 -0.019 0.000 1.038 253 I CB 2.256 40.260 38.000 0.005 0.000 1.244 253 I HN 0.447 nan 8.210 nan 0.000 0.420 254 S N 7.395 123.087 115.700 -0.012 0.000 2.482 254 S HA 0.730 5.199 4.470 -0.000 0.000 0.303 254 S C -0.877 173.768 174.600 0.075 0.000 1.091 254 S CA -0.578 57.627 58.200 0.009 0.000 1.057 254 S CB 1.602 64.787 63.200 -0.025 0.000 1.031 254 S HN 0.415 nan 8.310 nan 0.000 0.485 255 L N 2.742 124.015 121.223 0.084 0.000 2.410 255 L HA 0.551 4.891 4.340 -0.000 0.000 0.270 255 L C -0.561 176.352 176.870 0.071 0.000 0.983 255 L CA -0.598 54.319 54.840 0.129 0.000 0.822 255 L CB 1.868 44.029 42.059 0.171 0.000 1.285 255 L HN 0.484 nan 8.230 nan 0.000 0.409 256 E N 5.146 125.350 120.200 0.008 0.000 2.141 256 E HA 0.499 4.849 4.350 -0.000 0.000 0.259 256 E C -0.619 175.955 176.600 -0.044 0.000 0.883 256 E CA -0.282 56.113 56.400 -0.008 0.000 0.744 256 E CB 2.503 32.183 29.700 -0.033 0.000 1.150 256 E HN 0.494 nan 8.360 nan 0.000 0.420 257 L N 0.295 121.542 121.223 0.040 0.000 2.783 257 L HA 0.566 4.906 4.340 -0.000 0.000 0.205 257 L C 1.152 178.028 176.870 0.009 0.000 1.985 257 L CA -1.109 53.770 54.840 0.065 0.000 2.546 257 L CB -0.096 42.070 42.059 0.179 0.000 2.829 257 L HN 0.428 nan 8.230 nan 0.000 0.614 258 G N -0.999 107.789 108.800 -0.020 0.000 2.527 258 G HA2 0.458 4.418 3.960 -0.000 0.000 0.248 258 G HA3 0.458 4.418 3.960 -0.000 0.000 0.248 258 G C -0.299 174.272 174.900 -0.548 0.000 1.231 258 G CA 0.283 45.153 45.100 -0.383 0.000 0.838 258 G HN 0.653 nan 8.290 nan 0.000 0.570 259 G N -0.667 107.815 108.800 -0.531 0.000 3.107 259 G HA2 0.490 4.450 3.960 -0.000 0.000 0.232 259 G HA3 0.490 4.450 3.960 -0.000 0.000 0.232 259 G C -0.512 174.174 174.900 -0.356 0.000 1.339 259 G CA -0.571 44.357 45.100 -0.286 0.000 1.033 259 G HN 0.840 nan 8.290 nan 0.000 0.567 260 N N -1.267 117.488 118.700 0.092 0.000 3.286 260 N HA 0.261 5.001 4.740 -0.000 0.000 0.169 260 N C -0.413 175.262 175.510 0.275 0.000 1.375 260 N CA -0.038 53.136 53.050 0.207 0.000 1.093 260 N CB 0.255 38.957 38.487 0.359 0.000 1.659 260 N HN 0.728 nan 8.380 nan 0.000 0.629 261 A N 2.317 125.276 122.820 0.231 0.000 2.491 261 A HA 0.467 4.787 4.320 -0.000 0.000 0.261 261 A C -2.210 175.498 177.584 0.206 0.000 1.101 261 A CA -0.591 51.581 52.037 0.225 0.000 0.772 261 A CB -0.136 19.051 19.000 0.311 0.000 1.043 261 A HN 0.374 nan 8.150 nan 0.000 0.501 262 P HA 0.368 nan 4.420 nan 0.000 0.284 262 P C -1.010 176.462 177.300 0.287 0.000 1.253 262 P CA -0.118 63.093 63.100 0.186 0.000 0.800 262 P CB 0.704 32.416 31.700 0.020 0.000 0.961 263 F N 3.763 123.825 119.950 0.187 0.000 2.513 263 F HA 0.512 5.039 4.527 -0.000 0.000 0.358 263 F C -0.958 174.929 175.800 0.144 0.000 1.118 263 F CA -0.900 57.218 58.000 0.195 0.000 1.037 263 F CB 0.617 39.664 39.000 0.079 0.000 1.276 263 F HN 0.087 nan 8.300 nan 0.000 0.446 264 I N 6.663 127.277 120.570 0.072 0.000 2.354 264 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 264 I C -0.955 175.176 176.117 0.023 0.000 0.989 264 I CA -1.026 60.285 61.300 0.018 0.000 1.188 264 I CB 1.820 39.695 38.000 -0.208 0.000 1.342 264 I HN 0.220 nan 8.210 nan 0.000 0.457 265 V N 6.978 126.917 119.914 0.041 0.000 2.350 265 V HA 0.373 4.493 4.120 -0.000 0.000 0.285 265 V C -0.181 175.958 176.094 0.076 0.000 1.014 265 V CA -0.558 61.780 62.300 0.064 0.000 0.831 265 V CB 0.777 32.525 31.823 -0.125 0.000 1.000 265 V HN 0.383 nan 8.190 nan 0.000 0.433 266 F N 1.856 122.000 119.950 0.323 0.000 2.378 266 F HA 0.306 4.833 4.527 -0.000 0.000 0.319 266 F C 1.671 177.564 175.800 0.154 0.000 1.155 266 F CA -0.292 57.877 58.000 0.281 0.000 1.157 266 F CB 0.547 39.718 39.000 0.284 0.000 1.252 266 F HN 0.451 nan 8.300 nan 0.000 0.550 267 D N 0.369 120.947 120.400 0.297 0.000 2.182 267 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 267 D C 1.198 177.612 176.300 0.190 0.000 0.986 267 D CA 1.528 55.635 54.000 0.178 0.000 0.847 267 D CB -0.361 40.516 40.800 0.128 0.000 0.942 267 D HN 0.537 nan 8.370 nan 0.000 0.467 268 D N -0.235 120.303 120.400 0.229 0.000 2.395 268 D HA 0.202 4.842 4.640 -0.000 0.000 0.226 268 D C 0.268 176.699 176.300 0.219 0.000 1.146 268 D CA -0.322 53.788 54.000 0.185 0.000 0.830 268 D CB -0.478 40.408 40.800 0.144 0.000 0.958 268 D HN -0.017 nan 8.370 nan 0.000 0.501 269 A N 0.508 123.494 122.820 0.277 0.000 2.425 269 A HA 0.197 4.517 4.320 -0.000 0.000 0.242 269 A C 0.297 178.020 177.584 0.232 0.000 1.077 269 A CA -0.414 51.805 52.037 0.304 0.000 0.781 269 A CB 0.253 19.465 19.000 0.354 0.000 1.020 269 A HN 0.163 nan 8.150 nan 0.000 0.494 270 D N 1.708 122.250 120.400 0.237 0.000 2.348 270 D HA 0.074 4.714 4.640 -0.000 0.000 0.259 270 D C 0.808 177.222 176.300 0.189 0.000 1.296 270 D CA -0.159 53.955 54.000 0.190 0.000 0.931 270 D CB 0.335 41.237 40.800 0.170 0.000 1.067 270 D HN 0.337 nan 8.370 nan 0.000 0.503 271 L N 4.264 125.575 121.223 0.147 0.000 2.056 271 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 271 L C 1.537 178.464 176.870 0.094 0.000 1.078 271 L CA 1.638 56.566 54.840 0.147 0.000 0.749 271 L CB -0.259 41.881 42.059 0.136 0.000 0.901 271 L HN 0.346 nan 8.230 nan 0.000 0.433 272 D N -0.494 119.943 120.400 0.060 0.000 2.117 272 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 272 D C 2.237 178.555 176.300 0.029 0.000 0.987 272 D CA 1.416 55.427 54.000 0.018 0.000 0.829 272 D CB -0.278 40.533 40.800 0.019 0.000 0.961 272 D HN 0.425 nan 8.370 nan 0.000 0.460 273 A N 0.995 123.869 122.820 0.089 0.000 1.892 273 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 273 A C 2.314 179.918 177.584 0.033 0.000 1.188 273 A CA 2.610 54.745 52.037 0.163 0.000 0.631 273 A CB -0.933 18.255 19.000 0.313 0.000 0.822 273 A HN 0.253 nan 8.150 nan 0.000 0.447 274 A N -0.768 121.907 122.820 -0.242 0.000 1.933 274 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 274 A C 2.231 179.798 177.584 -0.029 0.000 1.175 274 A CA 1.717 53.332 52.037 -0.704 0.000 0.628 274 A CB -0.902 17.862 19.000 -0.393 0.000 0.814 274 A HN 0.409 nan 8.150 nan 0.000 0.444 275 V N 0.667 120.584 119.914 0.006 0.000 2.287 275 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 275 V C 2.216 178.242 176.094 -0.115 0.000 1.053 275 V CA 2.377 64.567 62.300 -0.182 0.000 1.027 275 V CB -0.847 30.780 31.823 -0.326 0.000 0.646 275 V HN 0.488 nan 8.190 nan 0.000 0.447 276 D N 0.612 120.982 120.400 -0.049 0.000 2.117 276 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 276 D C 2.215 178.536 176.300 0.035 0.000 0.987 276 D CA 1.664 55.660 54.000 -0.006 0.000 0.829 276 D CB -0.737 40.083 40.800 0.033 0.000 0.961 276 D HN 0.453 nan 8.370 nan 0.000 0.460 277 G N 0.867 109.737 108.800 0.117 0.000 2.446 277 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 277 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 277 G C 1.741 176.652 174.900 0.017 0.000 1.168 277 G CA 1.624 46.876 45.100 0.254 0.000 0.771 277 G HN 0.408 nan 8.290 nan 0.000 0.551 278 A N 0.625 123.255 122.820 -0.317 0.000 1.884 278 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 278 A C 2.464 179.852 177.584 -0.326 0.000 1.197 278 A CA 2.516 54.097 52.037 -0.761 0.000 0.637 278 A CB -0.446 18.296 19.000 -0.430 0.000 0.827 278 A HN 0.301 nan 8.150 nan 0.000 0.450 279 M N -0.792 118.741 119.600 -0.112 0.000 2.108 279 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 279 M C 2.228 178.570 176.300 0.070 0.000 1.066 279 M CA 1.363 56.705 55.300 0.070 0.000 1.107 279 M CB -1.371 31.237 32.600 0.012 0.000 1.356 279 M HN 0.243 nan 8.290 nan 0.000 0.406 280 V N 0.109 120.021 119.914 -0.003 0.000 2.488 280 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 280 V C 2.475 178.539 176.094 -0.050 0.000 1.046 280 V CA 1.818 64.119 62.300 0.002 0.000 1.053 280 V CB -0.529 31.307 31.823 0.021 0.000 0.679 280 V HN 0.615 nan 8.190 nan 0.000 0.458 281 S N -0.739 114.877 115.700 -0.139 0.000 2.470 281 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 281 S C 1.912 176.362 174.600 -0.251 0.000 1.006 281 S CA 0.769 58.840 58.200 -0.214 0.000 0.934 281 S CB -0.031 62.925 63.200 -0.407 0.000 0.778 281 S HN 0.363 nan 8.310 nan 0.000 0.517 282 K N 0.874 121.075 120.400 -0.332 0.000 2.128 282 K HA 0.234 4.554 4.320 -0.000 0.000 0.202 282 K C 0.810 177.117 176.600 -0.487 0.000 1.050 282 K CA 0.966 56.947 56.287 -0.512 0.000 0.966 282 K CB -0.597 31.412 32.500 -0.820 0.000 0.759 282 K HN 0.525 nan 8.250 nan 0.000 0.454 283 Y N 0.390 120.640 120.300 -0.084 0.000 2.449 283 Y HA 0.317 4.867 4.550 -0.000 0.000 0.254 283 Y C 0.541 176.418 175.900 -0.039 0.000 1.140 283 Y CA -0.378 57.690 58.100 -0.053 0.000 1.272 283 Y CB 0.187 38.617 38.460 -0.050 0.000 1.114 283 Y HN -0.112 nan 8.280 nan 0.000 0.525 284 R N 1.737 122.274 120.500 0.062 0.000 2.590 284 R HA -0.029 4.311 4.340 -0.000 0.000 0.274 284 R C 0.572 176.881 176.300 0.015 0.000 1.061 284 R CA 0.333 56.461 56.100 0.046 0.000 1.081 284 R CB 0.044 30.369 30.300 0.041 0.000 0.984 284 R HN 0.244 nan 8.270 nan 0.000 0.448 285 N N 2.585 121.292 118.700 0.011 0.000 2.708 285 N HA -0.297 4.443 4.740 -0.000 0.000 0.249 285 N C -0.275 175.220 175.510 -0.026 0.000 1.097 285 N CA 1.433 54.456 53.050 -0.045 0.000 0.710 285 N CB -1.050 37.340 38.487 -0.162 0.000 1.032 285 N HN 0.930 nan 8.380 nan 0.000 0.551 286 A N -2.221 120.618 122.820 0.032 0.000 2.826 286 A HA 0.041 4.361 4.320 -0.000 0.000 0.274 286 A C 2.097 179.685 177.584 0.008 0.000 1.443 286 A CA 1.830 53.908 52.037 0.069 0.000 0.833 286 A CB -1.903 17.140 19.000 0.073 0.000 1.023 286 A HN 2.153 nan 8.150 nan 0.000 0.600 287 G N -2.465 106.288 108.800 -0.078 0.000 2.143 287 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.249 287 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.249 287 G C 0.069 174.750 174.900 -0.365 0.000 0.981 287 G CA 0.830 45.813 45.100 -0.195 0.000 0.665 287 G HN 1.417 nan 8.290 nan 0.000 0.528 288 Q N 1.139 120.733 119.800 -0.343 0.000 2.936 288 Q HA 0.403 4.743 4.340 -0.000 0.000 0.383 288 Q C 0.539 176.142 176.000 -0.661 0.000 1.167 288 Q CA 0.524 55.960 55.803 -0.611 0.000 1.038 288 Q CB 0.464 29.219 28.738 0.029 0.000 1.409 288 Q HN 0.595 nan 8.270 nan 0.000 0.448 289 T N -4.407 109.780 114.554 -0.612 0.000 2.908 289 T HA 0.225 4.575 4.350 -0.000 0.000 0.290 289 T C 0.622 175.179 174.700 -0.238 0.000 1.034 289 T CA -0.757 61.225 62.100 -0.196 0.000 1.010 289 T CB 1.583 70.542 68.868 0.151 0.000 1.068 289 T HN 0.281 nan 8.240 nan 0.000 0.481 290 C N 2.042 121.374 119.300 0.053 0.000 2.500 290 C HA 0.087 4.547 4.460 -0.000 0.000 0.273 290 C C 2.506 177.556 174.990 0.100 0.000 1.428 290 C CA 0.680 59.779 59.018 0.136 0.000 1.766 290 C CB -1.558 26.279 27.740 0.161 0.000 1.817 290 C HN 0.818 nan 8.230 nan 0.000 0.543 291 V N -2.219 117.759 119.914 0.106 0.000 3.541 291 V HA 0.177 4.297 4.120 -0.000 0.000 0.267 291 V C 1.041 177.270 176.094 0.225 0.000 1.213 291 V CA -0.200 62.213 62.300 0.188 0.000 1.149 291 V CB -1.909 30.046 31.823 0.219 0.000 0.822 291 V HN 0.487 nan 8.190 nan 0.000 0.462 292 C N 2.999 122.336 119.300 0.062 0.000 2.563 292 C HA 0.451 4.911 4.460 -0.000 0.000 0.411 292 C C 1.558 176.576 174.990 0.047 0.000 1.386 292 C CA -0.030 58.977 59.018 -0.018 0.000 1.703 292 C CB -1.015 26.630 27.740 -0.159 0.000 2.596 292 C HN 0.821 nan 8.230 nan 0.000 0.605 293 A N 3.909 126.716 122.820 -0.021 0.000 2.583 293 A HA -0.052 4.268 4.320 -0.000 0.000 0.249 293 A C 1.063 178.652 177.584 0.009 0.000 1.035 293 A CA 0.628 52.677 52.037 0.020 0.000 0.777 293 A CB -0.127 18.766 19.000 -0.179 0.000 0.942 293 A HN 0.994 nan 8.150 nan 0.000 0.516 294 N N 1.387 120.143 118.700 0.093 0.000 2.407 294 N HA 0.068 4.808 4.740 -0.000 0.000 0.182 294 N C 0.120 175.707 175.510 0.128 0.000 1.079 294 N CA 0.506 53.618 53.050 0.104 0.000 0.882 294 N CB 0.359 38.938 38.487 0.152 0.000 1.106 294 N HN 0.699 nan 8.380 nan 0.000 0.461 295 R N 0.462 121.014 120.500 0.087 0.000 2.502 295 R HA 0.421 4.761 4.340 -0.000 0.000 0.300 295 R C -1.096 175.148 176.300 -0.094 0.000 0.984 295 R CA -0.473 55.582 56.100 -0.074 0.000 0.882 295 R CB 2.018 32.069 30.300 -0.414 0.000 1.180 295 R HN 0.086 nan 8.270 nan 0.000 0.444 296 I N 4.029 124.572 120.570 -0.044 0.000 2.306 296 I HA 0.242 4.412 4.170 -0.000 0.000 0.288 296 I C -0.707 175.387 176.117 -0.038 0.000 1.036 296 I CA -0.644 60.672 61.300 0.027 0.000 1.221 296 I CB 0.486 38.490 38.000 0.006 0.000 1.385 296 I HN 0.433 nan 8.210 nan 0.000 0.472 297 Y N 5.563 125.920 120.300 0.096 0.000 2.341 297 Y HA 0.458 5.008 4.550 -0.000 0.000 0.340 297 Y C 0.105 176.155 175.900 0.250 0.000 0.997 297 Y CA -0.600 57.603 58.100 0.170 0.000 1.149 297 Y CB 1.365 39.782 38.460 -0.070 0.000 1.171 297 Y HN 0.200 nan 8.280 nan 0.000 0.494 298 V N 4.023 124.173 119.914 0.393 0.000 2.540 298 V HA 0.267 4.387 4.120 -0.000 0.000 0.302 298 V C -0.300 175.684 176.094 -0.184 0.000 1.035 298 V CA -1.289 61.045 62.300 0.056 0.000 0.873 298 V CB 1.710 33.379 31.823 -0.255 0.000 0.992 298 V HN 0.678 nan 8.190 nan 0.000 0.428 299 Q N 2.219 121.687 119.800 -0.553 0.000 2.352 299 Q HA 0.171 4.511 4.340 -0.000 0.000 0.260 299 Q C 1.376 177.170 176.000 -0.344 0.000 0.976 299 Q CA -0.113 55.077 55.803 -1.022 0.000 0.881 299 Q CB 0.962 29.289 28.738 -0.685 0.000 1.235 299 Q HN 0.667 nan 8.270 nan 0.000 0.419 300 R N 3.390 123.701 120.500 -0.315 0.000 2.136 300 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 300 R C 1.763 178.057 176.300 -0.010 0.000 1.131 300 R CA 2.586 58.620 56.100 -0.109 0.000 0.937 300 R CB -1.216 29.021 30.300 -0.106 0.000 0.863 300 R HN 0.885 nan 8.270 nan 0.000 0.435 301 G N -0.751 108.032 108.800 -0.028 0.000 2.517 301 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.222 301 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.222 301 G C 1.081 176.014 174.900 0.055 0.000 1.109 301 G CA 1.309 46.420 45.100 0.020 0.000 0.746 301 G HN 0.450 nan 8.290 nan 0.000 0.576 302 V N -3.349 116.602 119.914 0.061 0.000 3.528 302 V HA 0.363 4.483 4.120 -0.000 0.000 0.294 302 V C 1.754 177.936 176.094 0.147 0.000 1.404 302 V CA -0.192 62.168 62.300 0.100 0.000 1.065 302 V CB -0.811 31.072 31.823 0.101 0.000 0.904 302 V HN 0.255 nan 8.190 nan 0.000 0.435 303 Y N 2.468 122.782 120.300 0.022 0.000 2.070 303 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 303 Y C 2.302 178.270 175.900 0.114 0.000 1.148 303 Y CA 2.514 60.645 58.100 0.052 0.000 1.125 303 Y CB -0.020 38.443 38.460 0.004 0.000 0.975 303 Y HN 0.272 nan 8.280 nan 0.000 0.492 304 D N -0.003 120.583 120.400 0.311 0.000 2.117 304 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 304 D C 2.024 178.376 176.300 0.085 0.000 0.987 304 D CA 1.431 55.550 54.000 0.199 0.000 0.829 304 D CB -0.289 40.614 40.800 0.173 0.000 0.961 304 D HN 0.204 nan 8.370 nan 0.000 0.460 305 K N 0.219 120.673 120.400 0.089 0.000 2.097 305 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 305 K C 1.899 178.516 176.600 0.028 0.000 1.049 305 K CA 0.510 56.828 56.287 0.052 0.000 0.933 305 K CB -0.578 31.962 32.500 0.067 0.000 0.717 305 K HN 0.037 nan 8.250 nan 0.000 0.442 306 F N 0.593 120.500 119.950 -0.072 0.000 2.069 306 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 306 F C 1.944 177.657 175.800 -0.144 0.000 1.113 306 F CA 1.850 59.784 58.000 -0.109 0.000 1.214 306 F CB -0.761 38.155 39.000 -0.139 0.000 0.978 306 F HN 0.084 nan 8.300 nan 0.000 0.474 307 A N 0.733 123.529 122.820 -0.040 0.000 1.873 307 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 307 A C 2.181 179.678 177.584 -0.145 0.000 1.193 307 A CA 2.229 54.196 52.037 -0.117 0.000 0.629 307 A CB -1.320 17.600 19.000 -0.133 0.000 0.826 307 A HN 0.685 nan 8.150 nan 0.000 0.447 308 E N -0.056 120.085 120.200 -0.098 0.000 2.077 308 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 308 E C 1.909 178.425 176.600 -0.141 0.000 0.989 308 E CA 1.440 57.786 56.400 -0.090 0.000 0.800 308 E CB -0.365 29.307 29.700 -0.046 0.000 0.746 308 E HN 0.618 nan 8.360 nan 0.000 0.452 309 K N 0.240 120.524 120.400 -0.193 0.000 2.097 309 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 309 K C 2.232 178.653 176.600 -0.299 0.000 1.049 309 K CA 1.171 57.319 56.287 -0.231 0.000 0.933 309 K CB -0.166 32.179 32.500 -0.259 0.000 0.717 309 K HN 0.093 nan 8.250 nan 0.000 0.442 310 L N 0.877 121.843 121.223 -0.429 0.000 2.056 310 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 310 L C 2.199 178.940 176.870 -0.216 0.000 1.078 310 L CA 1.610 56.218 54.840 -0.387 0.000 0.749 310 L CB -0.563 41.204 42.059 -0.486 0.000 0.901 310 L HN 0.114 nan 8.230 nan 0.000 0.433 311 A N -0.215 122.503 122.820 -0.170 0.000 1.903 311 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 311 A C 2.468 179.976 177.584 -0.127 0.000 1.191 311 A CA 2.414 54.380 52.037 -0.119 0.000 0.638 311 A CB -1.377 17.570 19.000 -0.088 0.000 0.823 311 A HN 0.590 nan 8.150 nan 0.000 0.451 312 A N -0.664 122.079 122.820 -0.129 0.000 1.902 312 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 312 A C 2.124 179.631 177.584 -0.127 0.000 1.181 312 A CA 1.861 53.829 52.037 -0.114 0.000 0.623 312 A CB -0.382 18.557 19.000 -0.102 0.000 0.818 312 A HN 0.440 nan 8.150 nan 0.000 0.443 313 K N -0.284 120.026 120.400 -0.149 0.000 2.057 313 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 313 K C 2.021 178.506 176.600 -0.191 0.000 1.049 313 K CA 1.327 57.522 56.287 -0.154 0.000 0.931 313 K CB -0.927 31.480 32.500 -0.156 0.000 0.714 313 K HN 0.347 nan 8.250 nan 0.000 0.440 314 V N 2.205 121.980 119.914 -0.231 0.000 2.332 314 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 314 V C 2.612 178.568 176.094 -0.230 0.000 1.055 314 V CA 1.878 63.988 62.300 -0.317 0.000 1.038 314 V CB -0.477 31.170 31.823 -0.294 0.000 0.651 314 V HN 0.399 nan 8.190 nan 0.000 0.450 315 K N -0.042 120.260 120.400 -0.163 0.000 2.113 315 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 315 K C 1.949 178.477 176.600 -0.121 0.000 1.047 315 K CA 1.758 57.969 56.287 -0.127 0.000 0.928 315 K CB -0.100 32.339 32.500 -0.101 0.000 0.716 315 K HN 0.395 nan 8.250 nan 0.000 0.446 316 E N 0.745 120.872 120.200 -0.122 0.000 2.418 316 E HA -0.048 4.302 4.350 -0.000 0.000 0.197 316 E C 0.314 176.848 176.600 -0.109 0.000 1.026 316 E CA 0.371 56.709 56.400 -0.105 0.000 0.862 316 E CB -0.178 29.465 29.700 -0.095 0.000 0.799 316 E HN 0.379 nan 8.360 nan 0.000 0.518 317 L N 1.809 122.946 121.223 -0.143 0.000 2.462 317 L HA 0.053 4.393 4.340 -0.000 0.000 0.272 317 L C 0.612 177.423 176.870 -0.098 0.000 1.166 317 L CA -0.180 54.579 54.840 -0.135 0.000 0.880 317 L CB 0.155 42.092 42.059 -0.204 0.000 1.142 317 L HN -0.232 nan 8.230 nan 0.000 0.473 318 K N 3.198 123.557 120.400 -0.069 0.000 2.262 318 K HA 0.358 4.677 4.320 -0.000 0.000 0.282 318 K C -0.954 175.627 176.600 -0.031 0.000 1.066 318 K CA -0.388 55.866 56.287 -0.055 0.000 0.901 318 K CB 0.956 33.429 32.500 -0.046 0.000 1.089 318 K HN 0.309 nan 8.250 nan 0.000 0.476 319 V N 4.047 123.938 119.914 -0.038 0.000 2.439 319 V HA 0.816 4.936 4.120 -0.000 0.000 0.282 319 V C 0.727 176.774 176.094 -0.078 0.000 1.039 319 V CA 0.076 62.382 62.300 0.010 0.000 0.913 319 V CB 0.771 32.612 31.823 0.031 0.000 0.983 319 V HN 0.989 nan 8.190 nan 0.000 0.460 320 G N 3.349 112.170 108.800 0.034 0.000 2.340 320 G HA2 0.164 4.124 3.960 -0.000 0.000 0.299 320 G HA3 0.164 4.124 3.960 -0.000 0.000 0.299 320 G C -1.259 173.786 174.900 0.242 0.000 1.291 320 G CA -0.832 44.211 45.100 -0.095 0.000 0.841 320 G HN 0.559 nan 8.290 nan 0.000 0.500 321 N N 0.602 119.394 118.700 0.153 0.000 2.452 321 N HA 0.223 4.963 4.740 -0.000 0.000 0.266 321 N C 1.655 177.239 175.510 0.123 0.000 1.209 321 N CA 0.763 53.938 53.050 0.208 0.000 0.929 321 N CB 1.302 39.866 38.487 0.128 0.000 1.063 321 N HN 0.817 nan 8.380 nan 0.000 0.472 322 G N 2.049 110.920 108.800 0.118 0.000 2.479 322 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 322 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 322 G C 1.236 176.167 174.900 0.053 0.000 1.115 322 G CA 1.437 46.583 45.100 0.077 0.000 0.757 322 G HN 0.730 nan 8.290 nan 0.000 0.560 323 T N -1.810 112.774 114.554 0.049 0.000 3.148 323 T HA 0.204 4.554 4.350 -0.000 0.000 0.253 323 T C 0.546 175.261 174.700 0.025 0.000 1.134 323 T CA 0.004 62.124 62.100 0.033 0.000 1.051 323 T CB 0.280 69.165 68.868 0.029 0.000 0.959 323 T HN 0.082 nan 8.240 nan 0.000 0.525 324 E N 2.845 123.061 120.200 0.026 0.000 2.249 324 E HA 0.366 4.716 4.350 -0.000 0.000 0.280 324 E C -2.622 173.982 176.600 0.007 0.000 1.016 324 E CA -2.825 53.581 56.400 0.011 0.000 0.830 324 E CB 1.132 30.833 29.700 0.002 0.000 1.081 324 E HN 0.222 nan 8.360 nan 0.000 0.395 325 P HA 0.058 nan 4.420 nan 0.000 0.265 325 P C 0.750 178.046 177.300 -0.007 0.000 1.193 325 P CA 0.670 63.768 63.100 -0.002 0.000 0.765 325 P CB 0.504 32.201 31.700 -0.005 0.000 0.823 326 G N 1.200 109.996 108.800 -0.006 0.000 2.234 326 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 326 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 326 G C 0.164 175.058 174.900 -0.010 0.000 0.987 326 G CA -0.030 45.063 45.100 -0.012 0.000 0.625 326 G HN 0.548 nan 8.290 nan 0.000 0.532 327 V N 1.737 121.651 119.914 -0.000 0.000 2.529 327 V HA 0.340 4.460 4.120 -0.000 0.000 0.292 327 V C 1.747 177.852 176.094 0.018 0.000 1.028 327 V CA 0.684 62.990 62.300 0.011 0.000 1.074 327 V CB 1.449 33.292 31.823 0.034 0.000 0.958 327 V HN 1.041 nan 8.190 nan 0.000 0.481 328 V N 3.303 123.226 119.914 0.014 0.000 3.604 328 V HA 0.458 4.578 4.120 -0.000 0.000 0.277 328 V C 0.395 176.510 176.094 0.036 0.000 1.399 328 V CA 0.284 62.594 62.300 0.016 0.000 1.034 328 V CB 0.527 32.345 31.823 -0.008 0.000 0.824 328 V HN 0.546 nan 8.190 nan 0.000 0.439 329 I N 2.012 122.614 120.570 0.053 0.000 2.447 329 I HA 0.730 4.899 4.170 -0.000 0.000 0.287 329 I C 0.757 176.962 176.117 0.148 0.000 1.023 329 I CA 0.050 61.404 61.300 0.090 0.000 1.083 329 I CB 1.063 39.116 38.000 0.090 0.000 1.245 329 I HN 0.209 nan 8.210 nan 0.000 0.434 330 G N 7.474 116.351 108.800 0.128 0.000 2.510 330 G HA2 0.610 4.570 3.960 -0.000 0.000 0.280 330 G HA3 0.610 4.570 3.960 -0.000 0.000 0.280 330 G C -2.670 172.251 174.900 0.036 0.000 1.386 330 G CA -0.894 44.293 45.100 0.145 0.000 1.047 330 G HN 0.363 nan 8.290 nan 0.000 0.527 331 P HA 0.163 nan 4.420 nan 0.000 0.274 331 P C 0.065 177.203 177.300 -0.271 0.000 1.246 331 P CA -0.185 62.513 63.100 -0.670 0.000 0.795 331 P CB 0.779 31.858 31.700 -1.035 0.000 1.006 332 M N 1.411 120.887 119.600 -0.206 0.000 2.226 332 M HA 0.041 4.521 4.480 -0.000 0.000 0.324 332 M C 1.671 177.841 176.300 -0.217 0.000 1.112 332 M CA -0.200 55.019 55.300 -0.135 0.000 1.176 332 M CB 0.128 32.672 32.600 -0.093 0.000 1.430 332 M HN 0.263 nan 8.290 nan 0.000 0.462 333 I N 0.794 121.205 120.570 -0.265 0.000 2.394 333 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 333 I C 0.755 176.644 176.117 -0.381 0.000 1.136 333 I CA 1.608 62.651 61.300 -0.429 0.000 1.425 333 I CB 0.120 37.536 38.000 -0.972 0.000 1.079 333 I HN 0.774 nan 8.210 nan 0.000 0.425 334 E N -1.966 118.046 120.200 -0.314 0.000 2.401 334 E HA 0.145 4.495 4.350 -0.000 0.000 0.280 334 E C 0.162 176.661 176.600 -0.168 0.000 1.039 334 E CA -0.595 55.664 56.400 -0.234 0.000 0.814 334 E CB 0.377 29.922 29.700 -0.258 0.000 1.275 334 E HN 0.047 nan 8.360 nan 0.000 0.448 335 E N 0.761 120.886 120.200 -0.125 0.000 2.114 335 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 335 E C 1.674 178.218 176.600 -0.092 0.000 1.008 335 E CA 2.450 58.796 56.400 -0.090 0.000 0.810 335 E CB -0.101 29.561 29.700 -0.062 0.000 0.739 335 E HN 0.551 nan 8.360 nan 0.000 0.456 336 K N 0.078 120.423 120.400 -0.092 0.000 2.283 336 K HA 0.027 4.347 4.320 -0.000 0.000 0.202 336 K C 2.018 178.564 176.600 -0.090 0.000 1.048 336 K CA 1.081 57.321 56.287 -0.078 0.000 0.948 336 K CB 0.023 32.485 32.500 -0.064 0.000 0.742 336 K HN 0.030 nan 8.250 nan 0.000 0.458 337 A N 1.872 124.627 122.820 -0.108 0.000 1.933 337 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 337 A C 2.126 179.608 177.584 -0.170 0.000 1.175 337 A CA 1.227 53.204 52.037 -0.099 0.000 0.628 337 A CB -0.532 18.422 19.000 -0.075 0.000 0.814 337 A HN 0.331 nan 8.150 nan 0.000 0.444 338 I N -0.546 119.904 120.570 -0.199 0.000 2.252 338 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 338 I C 2.538 178.483 176.117 -0.287 0.000 1.102 338 I CA 1.603 62.706 61.300 -0.328 0.000 1.385 338 I CB -0.594 37.283 38.000 -0.205 0.000 1.064 338 I HN 0.235 nan 8.210 nan 0.000 0.414 339 T N 0.607 115.070 114.554 -0.150 0.000 2.720 339 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 339 T C 1.963 176.611 174.700 -0.086 0.000 1.037 339 T CA 1.424 63.471 62.100 -0.088 0.000 1.144 339 T CB -0.206 68.634 68.868 -0.047 0.000 0.864 339 T HN 0.283 nan 8.240 nan 0.000 0.444 340 K N 0.681 121.017 120.400 -0.108 0.000 2.032 340 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 340 K C 2.246 178.740 176.600 -0.175 0.000 1.048 340 K CA 1.278 57.501 56.287 -0.108 0.000 0.927 340 K CB -0.333 32.082 32.500 -0.141 0.000 0.712 340 K HN 0.193 nan 8.250 nan 0.000 0.441 341 V N 1.816 121.570 119.914 -0.267 0.000 2.407 341 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 341 V C 2.195 178.224 176.094 -0.107 0.000 1.055 341 V CA 1.736 63.875 62.300 -0.267 0.000 1.049 341 V CB -0.425 31.102 31.823 -0.493 0.000 0.662 341 V HN 0.327 nan 8.190 nan 0.000 0.455 342 K N 0.410 120.727 120.400 -0.137 0.000 2.057 342 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 342 K C 2.356 179.005 176.600 0.081 0.000 1.050 342 K CA 1.432 57.737 56.287 0.030 0.000 0.935 342 K CB -0.391 32.126 32.500 0.028 0.000 0.715 342 K HN 0.480 nan 8.250 nan 0.000 0.439 343 A N 1.272 124.141 122.820 0.081 0.000 1.898 343 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 343 A C 1.839 179.529 177.584 0.178 0.000 1.181 343 A CA 1.240 53.351 52.037 0.122 0.000 0.620 343 A CB -0.785 18.294 19.000 0.132 0.000 0.819 343 A HN 0.332 nan 8.150 nan 0.000 0.442 344 H N -0.665 118.422 119.070 0.030 0.000 2.290 344 H HA -0.114 4.442 4.556 -0.000 0.000 0.298 344 H C 2.126 177.481 175.328 0.045 0.000 1.087 344 H CA 1.698 57.771 56.048 0.043 0.000 1.291 344 H CB -0.134 29.658 29.762 0.050 0.000 1.369 344 H HN 0.448 nan 8.280 nan 0.000 0.492 345 I N 0.633 121.317 120.570 0.189 0.000 2.208 345 I HA -0.253 3.916 4.170 -0.000 0.000 0.245 345 I C 2.710 178.880 176.117 0.088 0.000 1.097 345 I CA 1.411 62.791 61.300 0.135 0.000 1.363 345 I CB -0.104 37.998 38.000 0.170 0.000 1.051 345 I HN 0.245 nan 8.210 nan 0.000 0.413 346 E N 1.268 121.519 120.200 0.086 0.000 2.072 346 E HA -0.287 4.063 4.350 -0.000 0.000 0.191 346 E C 1.847 178.468 176.600 0.036 0.000 0.985 346 E CA 1.778 58.213 56.400 0.058 0.000 0.801 346 E CB -0.374 29.362 29.700 0.059 0.000 0.750 346 E HN 0.451 nan 8.360 nan 0.000 0.452 347 D N -0.058 120.360 120.400 0.030 0.000 2.123 347 D HA -0.215 4.424 4.640 -0.000 0.000 0.196 347 D C 1.774 178.067 176.300 -0.013 0.000 0.992 347 D CA 1.785 55.786 54.000 0.002 0.000 0.833 347 D CB -0.130 40.656 40.800 -0.023 0.000 0.954 347 D HN 0.278 nan 8.370 nan 0.000 0.455 348 A N 0.614 123.425 122.820 -0.015 0.000 1.858 348 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 348 A C 2.719 180.290 177.584 -0.022 0.000 1.190 348 A CA 1.703 53.718 52.037 -0.037 0.000 0.617 348 A CB -0.918 18.058 19.000 -0.040 0.000 0.827 348 A HN 0.227 nan 8.150 nan 0.000 0.443 349 V N 1.195 121.109 119.914 0.000 0.000 2.343 349 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 349 V C 2.986 179.082 176.094 0.003 0.000 1.051 349 V CA 2.349 64.652 62.300 0.005 0.000 1.036 349 V CB -0.940 30.895 31.823 0.019 0.000 0.654 349 V HN 0.822 nan 8.190 nan 0.000 0.451 350 S N 0.161 115.864 115.700 0.006 0.000 2.400 350 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 350 S C 1.748 176.346 174.600 -0.002 0.000 1.025 350 S CA 1.427 59.630 58.200 0.005 0.000 0.993 350 S CB -0.406 62.799 63.200 0.008 0.000 0.808 350 S HN 0.655 nan 8.310 nan 0.000 0.478 351 K N 0.581 120.975 120.400 -0.010 0.000 2.404 351 K HA 0.328 4.647 4.320 -0.000 0.000 0.194 351 K C 1.143 177.731 176.600 -0.020 0.000 1.023 351 K CA 0.387 56.665 56.287 -0.015 0.000 1.094 351 K CB 0.333 32.820 32.500 -0.021 0.000 0.841 351 K HN 0.569 nan 8.250 nan 0.000 0.523 352 G N 0.596 109.385 108.800 -0.018 0.000 2.229 352 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.189 352 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.189 352 G C 0.163 175.049 174.900 -0.024 0.000 1.000 352 G CA -0.211 44.878 45.100 -0.019 0.000 0.663 352 G HN 0.370 nan 8.290 nan 0.000 0.493 353 A N 0.664 123.464 122.820 -0.034 0.000 2.445 353 A HA 0.598 4.918 4.320 -0.000 0.000 0.242 353 A C 0.424 178.003 177.584 -0.008 0.000 1.075 353 A CA 0.313 52.330 52.037 -0.034 0.000 0.777 353 A CB 0.386 19.349 19.000 -0.061 0.000 1.013 353 A HN 0.236 nan 8.150 nan 0.000 0.493 354 K N 1.703 122.107 120.400 0.006 0.000 2.235 354 K HA 0.321 4.641 4.320 -0.000 0.000 0.266 354 K C -1.280 175.334 176.600 0.023 0.000 0.980 354 K CA -0.681 55.616 56.287 0.017 0.000 0.849 354 K CB 1.893 34.406 32.500 0.023 0.000 1.098 354 K HN 0.536 nan 8.250 nan 0.000 0.445 355 L N 5.303 126.540 121.223 0.023 0.000 2.407 355 L HA 0.104 4.443 4.340 -0.000 0.000 0.282 355 L C 0.995 177.876 176.870 0.017 0.000 1.110 355 L CA 0.225 55.081 54.840 0.027 0.000 0.863 355 L CB -0.076 42.002 42.059 0.032 0.000 1.207 355 L HN 0.675 nan 8.230 nan 0.000 0.454 356 I N 0.993 121.573 120.570 0.018 0.000 3.030 356 I HA 0.234 4.404 4.170 -0.000 0.000 0.270 356 I C 0.726 176.838 176.117 -0.009 0.000 1.211 356 I CA 0.340 61.644 61.300 0.007 0.000 1.479 356 I CB 0.007 38.014 38.000 0.011 0.000 1.105 356 I HN 0.588 nan 8.210 nan 0.000 0.447 357 T N -0.106 114.442 114.554 -0.009 0.000 2.932 357 T HA 0.561 4.911 4.350 -0.000 0.000 0.318 357 T C 0.245 174.924 174.700 -0.036 0.000 1.265 357 T CA 0.144 62.225 62.100 -0.031 0.000 1.036 357 T CB 0.957 69.799 68.868 -0.044 0.000 1.209 357 T HN 0.748 nan 8.240 nan 0.000 0.484 358 G N 2.431 111.190 108.800 -0.069 0.000 2.602 358 G HA2 0.144 4.103 3.960 -0.000 0.000 0.317 358 G HA3 0.144 4.103 3.960 -0.000 0.000 0.317 358 G C 0.981 175.804 174.900 -0.129 0.000 1.327 358 G CA 1.026 46.058 45.100 -0.113 0.000 0.971 358 G HN 2.452 nan 8.290 nan 0.000 0.540 359 G N -1.323 107.347 108.800 -0.217 0.000 2.289 359 G HA2 0.164 4.124 3.960 -0.000 0.000 0.280 359 G HA3 0.164 4.124 3.960 -0.000 0.000 0.280 359 G C 0.060 174.727 174.900 -0.387 0.000 1.089 359 G CA 1.772 46.749 45.100 -0.205 0.000 0.939 359 G HN 1.845 nan 8.290 nan 0.000 0.499 360 K N -1.069 118.843 120.400 -0.812 0.000 2.509 360 K HA 0.678 4.998 4.320 -0.000 0.000 0.266 360 K C -0.336 175.869 176.600 -0.657 0.000 0.987 360 K CA -1.254 54.715 56.287 -0.530 0.000 0.868 360 K CB 1.889 34.272 32.500 -0.194 0.000 1.421 360 K HN 0.120 nan 8.250 nan 0.000 0.444 361 E N 1.074 121.221 120.200 -0.090 0.000 2.392 361 E HA 0.055 4.405 4.350 -0.000 0.000 0.264 361 E C -0.073 176.533 176.600 0.010 0.000 1.024 361 E CA -0.049 56.413 56.400 0.103 0.000 0.903 361 E CB 0.676 30.492 29.700 0.193 0.000 0.963 361 E HN 0.418 nan 8.360 nan 0.000 0.432 362 L N 1.660 122.925 121.223 0.070 0.000 2.959 362 L HA 0.284 4.624 4.340 -0.000 0.000 0.259 362 L C 0.510 177.424 176.870 0.073 0.000 1.185 362 L CA -0.130 54.732 54.840 0.036 0.000 0.998 362 L CB 0.380 42.451 42.059 0.019 0.000 1.337 362 L HN 0.795 nan 8.230 nan 0.000 0.555 363 G N -0.671 108.199 108.800 0.116 0.000 2.788 363 G HA2 0.241 4.201 3.960 -0.000 0.000 0.686 363 G HA3 0.241 4.201 3.960 -0.000 0.000 0.686 363 G C 0.284 175.309 174.900 0.209 0.000 1.147 363 G CA -0.507 44.665 45.100 0.119 0.000 0.755 363 G HN 0.611 nan 8.290 nan 0.000 0.634 364 G N -0.142 108.750 108.800 0.154 0.000 2.574 364 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.286 364 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.286 364 G C 1.083 176.039 174.900 0.093 0.000 1.212 364 G CA 0.700 45.887 45.100 0.146 0.000 0.979 364 G HN 1.700 nan 8.290 nan 0.000 0.557 365 L N 0.415 121.630 121.223 -0.014 0.000 2.653 365 L HA 0.382 4.722 4.340 -0.000 0.000 0.231 365 L C 0.241 176.998 176.870 -0.189 0.000 1.153 365 L CA -0.236 54.518 54.840 -0.144 0.000 0.933 365 L CB -0.139 41.768 42.059 -0.252 0.000 1.175 365 L HN 0.237 nan 8.230 nan 0.000 0.473 366 F N -0.365 119.624 119.950 0.066 0.000 2.427 366 F HA 0.260 4.787 4.527 -0.000 0.000 0.352 366 F C 0.094 175.999 175.800 0.174 0.000 1.100 366 F CA -0.197 57.856 58.000 0.088 0.000 1.191 366 F CB 0.682 39.706 39.000 0.040 0.000 1.128 366 F HN -0.198 nan 8.300 nan 0.000 0.533 367 F N 2.497 122.541 119.950 0.157 0.000 2.546 367 F HA 0.356 4.883 4.527 0.000 0.000 0.320 367 F C -0.229 175.633 175.800 0.103 0.000 1.076 367 F CA -1.139 56.922 58.000 0.102 0.000 0.928 367 F CB 1.443 40.480 39.000 0.061 0.000 1.189 367 F HN 0.457 nan 8.300 nan 0.000 0.465 368 E N 5.918 125.851 120.200 -0.444 0.000 2.229 368 E HA 0.313 4.663 4.350 -0.000 0.000 0.283 368 E C -2.463 174.034 176.600 -0.172 0.000 1.030 368 E CA -2.191 54.052 56.400 -0.260 0.000 0.836 368 E CB 0.959 30.482 29.700 -0.295 0.000 1.068 368 E HN 0.217 nan 8.360 nan 0.000 0.401 369 P HA 0.027 nan 4.420 nan 0.000 0.264 369 P C -0.617 176.690 177.300 0.011 0.000 1.183 369 P CA 0.277 63.406 63.100 0.048 0.000 0.763 369 P CB 0.852 32.453 31.700 -0.165 0.000 0.807 370 G N 1.870 110.756 108.800 0.143 0.000 2.694 370 G HA2 0.762 4.722 3.960 -0.000 0.000 0.290 370 G HA3 0.762 4.722 3.960 -0.000 0.000 0.290 370 G C -1.669 173.324 174.900 0.155 0.000 1.386 370 G CA -0.647 44.510 45.100 0.095 0.000 0.872 370 G HN 0.370 nan 8.290 nan 0.000 0.475 371 I N 0.213 120.839 120.570 0.092 0.000 2.534 371 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 371 I C -0.710 175.443 176.117 0.060 0.000 1.077 371 I CA -0.525 60.826 61.300 0.086 0.000 1.051 371 I CB 2.354 40.388 38.000 0.056 0.000 1.234 371 I HN 0.127 nan 8.210 nan 0.000 0.425 372 L N 5.323 126.580 121.223 0.057 0.000 2.309 372 L HA 0.602 4.942 4.340 -0.000 0.000 0.282 372 L C 0.358 177.254 176.870 0.043 0.000 1.036 372 L CA -0.387 54.474 54.840 0.036 0.000 0.806 372 L CB 1.894 43.959 42.059 0.011 0.000 1.220 372 L HN 0.652 nan 8.230 nan 0.000 0.429 373 T N -1.828 112.764 114.554 0.063 0.000 2.950 373 T HA 0.594 4.944 4.350 -0.000 0.000 0.288 373 T C 0.790 175.546 174.700 0.094 0.000 1.035 373 T CA -0.126 62.062 62.100 0.148 0.000 1.028 373 T CB 1.711 70.701 68.868 0.203 0.000 1.109 373 T HN 0.926 nan 8.240 nan 0.000 0.514 374 G N 0.296 109.175 108.800 0.131 0.000 2.249 374 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.273 374 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.273 374 G C 0.033 174.868 174.900 -0.107 0.000 1.036 374 G CA 0.059 45.148 45.100 -0.018 0.000 0.824 374 G HN 1.071 nan 8.290 nan 0.000 0.504 375 V N 0.782 120.576 119.914 -0.201 0.000 2.686 375 V HA 0.693 4.813 4.120 -0.000 0.000 0.295 375 V C 1.033 176.762 176.094 -0.610 0.000 1.055 375 V CA 0.640 62.620 62.300 -0.533 0.000 1.050 375 V CB 1.336 32.633 31.823 -0.876 0.000 0.984 375 V HN 0.955 nan 8.190 nan 0.000 0.482 376 T N -0.195 114.067 114.554 -0.487 0.000 2.864 376 T HA 0.335 4.685 4.350 -0.000 0.000 0.289 376 T C 0.807 175.563 174.700 0.093 0.000 1.082 376 T CA 0.063 62.098 62.100 -0.109 0.000 1.009 376 T CB 1.716 70.572 68.868 -0.019 0.000 1.234 376 T HN 0.700 nan 8.240 nan 0.000 0.526 377 S N -0.949 114.912 115.700 0.268 0.000 2.607 377 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 377 S C 0.930 175.638 174.600 0.179 0.000 0.969 377 S CA 0.845 59.237 58.200 0.320 0.000 0.927 377 S CB -0.516 62.841 63.200 0.263 0.000 0.772 377 S HN 0.780 nan 8.310 nan 0.000 0.533 378 D N 0.707 121.169 120.400 0.104 0.000 2.379 378 D HA 0.224 4.864 4.640 -0.000 0.000 0.208 378 D C 0.224 176.544 176.300 0.033 0.000 1.065 378 D CA 0.074 54.110 54.000 0.060 0.000 0.848 378 D CB 0.024 40.846 40.800 0.037 0.000 0.949 378 D HN 0.418 nan 8.370 nan 0.000 0.509 379 M N 0.693 120.305 119.600 0.021 0.000 2.233 379 M HA 0.159 4.639 4.480 -0.000 0.000 0.355 379 M C 1.015 177.307 176.300 -0.015 0.000 1.191 379 M CA -0.725 54.560 55.300 -0.025 0.000 1.101 379 M CB 2.155 34.701 32.600 -0.090 0.000 1.592 379 M HN -0.121 nan 8.290 nan 0.000 0.461 380 L N 4.039 125.218 121.223 -0.074 0.000 2.085 380 L HA -0.180 4.160 4.340 -0.000 0.000 0.218 380 L C 1.978 178.741 176.870 -0.180 0.000 1.080 380 L CA 2.081 56.839 54.840 -0.136 0.000 0.776 380 L CB -0.453 41.469 42.059 -0.230 0.000 0.891 380 L HN 0.714 nan 8.230 nan 0.000 0.437 381 V N -0.403 119.380 119.914 -0.219 0.000 2.720 381 V HA -0.214 3.905 4.120 -0.000 0.000 0.256 381 V C 2.562 178.796 176.094 0.234 0.000 1.082 381 V CA 1.588 63.874 62.300 -0.023 0.000 1.101 381 V CB -0.583 31.302 31.823 0.103 0.000 0.693 381 V HN 0.655 nan 8.190 nan 0.000 0.479 382 A N -0.501 122.495 122.820 0.294 0.000 1.933 382 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 382 A C 2.238 179.973 177.584 0.251 0.000 1.175 382 A CA 1.746 54.026 52.037 0.405 0.000 0.628 382 A CB -0.299 18.965 19.000 0.440 0.000 0.814 382 A HN 0.497 nan 8.150 nan 0.000 0.444 383 K N -0.774 119.741 120.400 0.193 0.000 2.348 383 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 383 K C 0.431 177.177 176.600 0.243 0.000 1.052 383 K CA 0.238 56.640 56.287 0.192 0.000 1.004 383 K CB 0.444 33.024 32.500 0.134 0.000 0.873 383 K HN 0.694 nan 8.250 nan 0.000 0.523 384 E N 1.290 121.623 120.200 0.222 0.000 2.212 384 E HA 0.147 4.497 4.350 -0.000 0.000 0.268 384 E C -1.185 175.644 176.600 0.382 0.000 0.902 384 E CA -0.334 56.239 56.400 0.287 0.000 0.779 384 E CB 1.562 31.413 29.700 0.252 0.000 1.172 384 E HN -0.055 nan 8.360 nan 0.000 0.409 385 E N 1.982 122.366 120.200 0.306 0.000 2.257 385 E HA 0.069 4.419 4.350 -0.000 0.000 0.278 385 E C 0.195 176.941 176.600 0.242 0.000 1.049 385 E CA 0.022 56.581 56.400 0.264 0.000 0.876 385 E CB 1.074 30.888 29.700 0.190 0.000 1.035 385 E HN 0.575 nan 8.360 nan 0.000 0.419 386 T N 3.656 118.316 114.554 0.176 0.000 2.812 386 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 386 T C 0.522 175.235 174.700 0.021 0.000 1.042 386 T CA 0.311 62.330 62.100 -0.134 0.000 1.140 386 T CB -0.193 68.667 68.868 -0.014 0.000 0.870 386 T HN 0.663 nan 8.240 nan 0.000 0.445 387 F N 1.049 120.959 119.950 -0.067 0.000 3.091 387 F HA -0.121 4.406 4.527 -0.000 0.000 0.288 387 F C 0.724 176.509 175.800 -0.024 0.000 0.907 387 F CA 0.587 58.572 58.000 -0.024 0.000 1.028 387 F CB -1.209 37.797 39.000 0.011 0.000 1.022 387 F HN 0.353 nan 8.300 nan 0.000 0.665 388 G N -0.730 108.057 108.800 -0.021 0.000 2.645 388 G HA2 0.634 4.594 3.960 -0.000 0.000 0.292 388 G HA3 0.634 4.594 3.960 -0.000 0.000 0.292 388 G C -3.115 171.790 174.900 0.008 0.000 1.415 388 G CA -0.736 44.359 45.100 -0.008 0.000 0.785 388 G HN -0.184 nan 8.290 nan 0.000 0.483 389 P HA 0.306 nan 4.420 nan 0.000 0.212 389 P C -0.866 176.601 177.300 0.279 0.000 1.816 389 P CA -0.160 63.065 63.100 0.208 0.000 0.944 389 P CB 0.275 32.190 31.700 0.357 0.000 1.896 390 L N 0.981 122.267 121.223 0.106 0.000 2.343 390 L HA 0.719 5.059 4.340 -0.000 0.000 0.278 390 L C -0.703 176.178 176.870 0.020 0.000 0.996 390 L CA -0.868 54.054 54.840 0.137 0.000 0.831 390 L CB 1.792 43.945 42.059 0.157 0.000 1.232 390 L HN 0.059 nan 8.230 nan 0.000 0.413 391 A N 6.935 129.787 122.820 0.052 0.000 2.280 391 A HA 0.800 5.120 4.320 -0.000 0.000 0.320 391 A C -2.595 175.023 177.584 0.057 0.000 1.366 391 A CA -1.312 50.722 52.037 -0.006 0.000 0.938 391 A CB -0.122 18.900 19.000 0.037 0.000 1.157 391 A HN 0.505 nan 8.150 nan 0.000 0.536 392 P HA 0.393 nan 4.420 nan 0.000 0.297 392 P C -0.843 176.535 177.300 0.129 0.000 1.342 392 P CA -0.115 63.029 63.100 0.073 0.000 0.801 392 P CB 0.955 32.717 31.700 0.103 0.000 0.920 393 L N 4.838 126.107 121.223 0.075 0.000 2.264 393 L HA 0.432 4.772 4.340 -0.000 0.000 0.287 393 L C -0.042 176.983 176.870 0.259 0.000 1.039 393 L CA -0.517 54.416 54.840 0.154 0.000 0.829 393 L CB -0.127 41.953 42.059 0.033 0.000 1.211 393 L HN 0.258 nan 8.230 nan 0.000 0.427 394 F N 2.055 122.014 119.950 0.014 0.000 2.411 394 F HA 0.486 5.013 4.527 -0.000 0.000 0.355 394 F C 1.005 176.979 175.800 0.292 0.000 1.117 394 F CA -0.734 57.294 58.000 0.047 0.000 1.139 394 F CB 1.233 40.062 39.000 -0.286 0.000 1.120 394 F HN 0.511 nan 8.300 nan 0.000 0.493 395 A N 4.897 127.952 122.820 0.391 0.000 2.425 395 A HA 0.583 4.903 4.320 -0.000 0.000 0.249 395 A C -0.767 177.019 177.584 0.336 0.000 1.084 395 A CA -0.147 52.010 52.037 0.200 0.000 0.781 395 A CB 0.016 18.809 19.000 -0.344 0.000 1.019 395 A HN 0.758 nan 8.150 nan 0.000 0.490 396 F N -0.682 119.364 119.950 0.160 0.000 2.643 396 F HA 0.644 5.171 4.527 0.000 0.000 0.314 396 F C -0.209 175.635 175.800 0.074 0.000 1.096 396 F CA -1.073 56.996 58.000 0.116 0.000 0.953 396 F CB 1.228 40.294 39.000 0.110 0.000 1.345 396 F HN 0.410 nan 8.300 nan 0.000 0.468 397 D N -0.010 120.499 120.400 0.182 0.000 2.490 397 D HA 0.071 4.711 4.640 -0.000 0.000 0.244 397 D C 0.660 177.089 176.300 0.215 0.000 0.979 397 D CA 1.613 55.659 54.000 0.077 0.000 0.924 397 D CB 0.506 41.354 40.800 0.080 0.000 1.075 397 D HN 0.689 nan 8.370 nan 0.000 0.488 398 T N -1.926 112.851 114.554 0.371 0.000 2.942 398 T HA 0.322 4.672 4.350 -0.000 0.000 0.289 398 T C 0.868 175.798 174.700 0.383 0.000 1.044 398 T CA -0.748 61.555 62.100 0.338 0.000 1.023 398 T CB 2.993 71.967 68.868 0.177 0.000 1.123 398 T HN -0.086 nan 8.240 nan 0.000 0.512 399 E N 0.269 120.668 120.200 0.331 0.000 2.072 399 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 399 E C 1.449 178.083 176.600 0.056 0.000 0.985 399 E CA 1.307 57.877 56.400 0.285 0.000 0.801 399 E CB -0.050 29.748 29.700 0.164 0.000 0.750 399 E HN 0.749 nan 8.360 nan 0.000 0.452 400 E N 0.757 120.980 120.200 0.038 0.000 2.150 400 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 400 E C 1.778 178.352 176.600 -0.043 0.000 0.985 400 E CA 1.298 57.690 56.400 -0.015 0.000 0.814 400 E CB -0.100 29.600 29.700 0.001 0.000 0.752 400 E HN 0.438 nan 8.360 nan 0.000 0.466 401 E N 0.274 120.463 120.200 -0.019 0.000 2.046 401 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 401 E C 2.018 178.514 176.600 -0.174 0.000 0.982 401 E CA 0.972 57.349 56.400 -0.037 0.000 0.800 401 E CB 0.002 29.740 29.700 0.063 0.000 0.756 401 E HN 0.171 nan 8.360 nan 0.000 0.449 402 V N 0.878 120.592 119.914 -0.333 0.000 2.667 402 V HA -0.143 3.977 4.120 -0.000 0.000 0.252 402 V C 2.113 177.874 176.094 -0.555 0.000 1.065 402 V CA 1.085 62.963 62.300 -0.704 0.000 1.083 402 V CB -0.256 30.697 31.823 -1.449 0.000 0.692 402 V HN 0.317 nan 8.190 nan 0.000 0.468 403 I N 0.398 120.770 120.570 -0.331 0.000 2.202 403 I HA -0.174 3.995 4.170 -0.000 0.000 0.242 403 I C 2.730 178.731 176.117 -0.194 0.000 1.091 403 I CA 1.491 62.645 61.300 -0.242 0.000 1.368 403 I CB -0.693 37.208 38.000 -0.166 0.000 1.058 403 I HN 0.361 nan 8.210 nan 0.000 0.410 404 A N 0.216 122.941 122.820 -0.158 0.000 1.883 404 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 404 A C 2.273 179.784 177.584 -0.122 0.000 1.186 404 A CA 1.728 53.700 52.037 -0.110 0.000 0.624 404 A CB -0.686 18.269 19.000 -0.074 0.000 0.822 404 A HN 0.473 nan 8.150 nan 0.000 0.444 405 Q N -0.886 118.799 119.800 -0.190 0.000 2.079 405 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 405 Q C 2.477 178.331 176.000 -0.242 0.000 0.974 405 Q CA 1.225 56.908 55.803 -0.200 0.000 0.840 405 Q CB -0.392 28.175 28.738 -0.286 0.000 0.898 405 Q HN 0.690 nan 8.270 nan 0.000 0.430 406 A N 1.665 124.257 122.820 -0.381 0.000 1.917 406 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 406 A C 1.636 179.254 177.584 0.056 0.000 1.182 406 A CA 1.722 53.626 52.037 -0.222 0.000 0.633 406 A CB -0.401 18.433 19.000 -0.276 0.000 0.819 406 A HN 0.289 nan 8.150 nan 0.000 0.448 407 N N -0.026 118.680 118.700 0.011 0.000 2.398 407 N HA 0.016 4.756 4.740 -0.000 0.000 0.188 407 N C -0.348 175.154 175.510 -0.013 0.000 1.122 407 N CA 0.418 53.484 53.050 0.026 0.000 0.866 407 N CB 0.013 38.486 38.487 -0.022 0.000 0.970 407 N HN 0.452 nan 8.380 nan 0.000 0.462 408 D N 0.547 120.948 120.400 0.001 0.000 2.631 408 D HA 0.122 4.762 4.640 -0.000 0.000 0.227 408 D C -0.732 175.583 176.300 0.024 0.000 1.146 408 D CA -0.017 53.983 54.000 -0.000 0.000 1.009 408 D CB -0.049 40.755 40.800 0.008 0.000 1.057 408 D HN -0.080 nan 8.370 nan 0.000 0.509 409 T N 0.282 114.833 114.554 -0.005 0.000 2.885 409 T HA 0.192 4.542 4.350 -0.000 0.000 0.322 409 T C 1.272 175.891 174.700 -0.136 0.000 1.387 409 T CA -0.764 61.330 62.100 -0.010 0.000 1.041 409 T CB 0.605 69.556 68.868 0.140 0.000 1.287 409 T HN 0.159 nan 8.240 nan 0.000 0.491 410 I N 0.229 120.615 120.570 -0.306 0.000 3.001 410 I HA 0.309 4.479 4.170 -0.000 0.000 0.268 410 I C -0.223 175.631 176.117 -0.438 0.000 1.267 410 I CA 0.393 61.439 61.300 -0.425 0.000 1.472 410 I CB -0.303 37.367 38.000 -0.550 0.000 1.089 410 I HN 0.233 nan 8.210 nan 0.000 0.468 411 F N 1.838 121.762 119.950 -0.044 0.000 2.380 411 F HA 0.676 5.203 4.527 -0.000 0.000 0.319 411 F C 1.152 176.808 175.800 -0.241 0.000 1.113 411 F CA -0.781 57.182 58.000 -0.061 0.000 1.056 411 F CB 1.170 40.193 39.000 0.038 0.000 1.289 411 F HN -0.096 nan 8.300 nan 0.000 0.515 412 G N 0.626 109.423 108.800 -0.005 0.000 5.374 412 G HA2 0.269 4.229 3.960 -0.000 0.000 0.198 412 G HA3 0.269 4.229 3.960 -0.000 0.000 0.198 412 G C -0.330 174.541 174.900 -0.048 0.000 0.812 412 G CA -0.149 44.712 45.100 -0.398 0.000 0.614 412 G HN 0.531 nan 8.290 nan 0.000 0.357 413 L N 0.874 122.218 121.223 0.201 0.000 2.255 413 L HA 0.883 5.223 4.340 -0.000 0.000 0.196 413 L C 1.128 178.169 176.870 0.284 0.000 1.202 413 L CA 1.518 56.485 54.840 0.211 0.000 0.819 413 L CB -0.143 42.015 42.059 0.164 0.000 1.006 413 L HN 0.315 nan 8.230 nan 0.000 0.480 414 A N -1.015 121.963 122.820 0.263 0.000 2.374 414 A HA 0.875 5.195 4.320 -0.000 0.000 0.317 414 A C -1.102 176.323 177.584 -0.266 0.000 1.094 414 A CA 0.011 52.042 52.037 -0.011 0.000 0.765 414 A CB 1.230 20.187 19.000 -0.072 0.000 1.268 414 A HN 0.618 nan 8.150 nan 0.000 0.438 415 A N 0.559 122.993 122.820 -0.644 0.000 2.556 415 A HA 0.881 5.201 4.320 -0.000 0.000 0.294 415 A C -1.650 175.551 177.584 -0.639 0.000 1.091 415 A CA -0.487 51.127 52.037 -0.705 0.000 0.704 415 A CB 1.055 19.383 19.000 -1.120 0.000 1.300 415 A HN 1.019 nan 8.150 nan 0.000 0.406 416 Y N -0.603 119.645 120.300 -0.087 0.000 2.534 416 Y HA 0.666 5.216 4.550 0.000 0.000 0.345 416 Y C -0.571 175.300 175.900 -0.048 0.000 1.031 416 Y CA -0.778 57.264 58.100 -0.096 0.000 1.022 416 Y CB 2.169 40.505 38.460 -0.206 0.000 1.292 416 Y HN 0.865 nan 8.280 nan 0.000 0.459 417 F N -0.547 119.357 119.950 -0.076 0.000 2.654 417 F HA 0.746 5.273 4.527 -0.000 0.000 0.308 417 F C -2.386 173.509 175.800 0.159 0.000 1.108 417 F CA -1.665 56.345 58.000 0.017 0.000 0.957 417 F CB 1.474 40.531 39.000 0.095 0.000 1.309 417 F HN 0.408 nan 8.300 nan 0.000 0.446 418 Y N 1.165 121.528 120.300 0.104 0.000 2.350 418 Y HA 0.641 5.191 4.550 0.000 0.000 0.338 418 Y C 0.054 176.162 175.900 0.347 0.000 0.961 418 Y CA -0.660 57.497 58.100 0.096 0.000 1.100 418 Y CB 2.312 40.815 38.460 0.072 0.000 1.179 418 Y HN 0.979 nan 8.280 nan 0.000 0.454 419 T N 1.972 116.749 114.554 0.371 0.000 2.886 419 T HA 0.190 4.540 4.350 -0.000 0.000 0.330 419 T C -0.326 174.532 174.700 0.262 0.000 1.488 419 T CA -0.570 61.738 62.100 0.346 0.000 1.054 419 T CB 1.473 70.498 68.868 0.260 0.000 1.348 419 T HN 0.643 nan 8.240 nan 0.000 0.489 420 E N 1.868 122.180 120.200 0.187 0.000 2.481 420 E HA 0.123 4.472 4.350 -0.000 0.000 0.198 420 E C 0.290 176.976 176.600 0.144 0.000 1.027 420 E CA -0.093 56.394 56.400 0.146 0.000 0.900 420 E CB 0.300 30.067 29.700 0.111 0.000 0.993 420 E HN 0.509 nan 8.360 nan 0.000 0.482 421 N N 0.841 119.614 118.700 0.122 0.000 2.411 421 N HA -0.022 4.718 4.740 -0.000 0.000 0.259 421 N C 0.692 176.270 175.510 0.113 0.000 1.103 421 N CA -0.078 53.031 53.050 0.099 0.000 0.954 421 N CB 0.474 38.977 38.487 0.026 0.000 1.085 421 N HN -0.062 nan 8.380 nan 0.000 0.485 422 F N 4.018 123.980 119.950 0.019 0.000 2.069 422 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 422 F C 2.260 178.049 175.800 -0.018 0.000 1.113 422 F CA 1.599 59.607 58.000 0.014 0.000 1.214 422 F CB -0.213 38.794 39.000 0.012 0.000 0.978 422 F HN 0.471 nan 8.300 nan 0.000 0.474 423 S N 0.178 115.900 115.700 0.037 0.000 2.368 423 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 423 S C 2.103 176.583 174.600 -0.200 0.000 1.030 423 S CA 1.306 59.449 58.200 -0.095 0.000 0.999 423 S CB -0.431 62.791 63.200 0.036 0.000 0.844 423 S HN 0.421 nan 8.310 nan 0.000 0.459 424 R N 1.172 121.568 120.500 -0.174 0.000 2.081 424 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 424 R C 2.346 178.479 176.300 -0.278 0.000 1.131 424 R CA 1.312 57.258 56.100 -0.257 0.000 0.960 424 R CB -0.521 29.591 30.300 -0.313 0.000 0.856 424 R HN 0.357 nan 8.270 nan 0.000 0.436 425 A N 1.649 124.331 122.820 -0.229 0.000 1.884 425 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 425 A C 2.067 179.491 177.584 -0.267 0.000 1.197 425 A CA 1.715 53.604 52.037 -0.247 0.000 0.637 425 A CB -0.579 18.190 19.000 -0.386 0.000 0.827 425 A HN 0.313 nan 8.150 nan 0.000 0.450 426 I N -0.427 119.922 120.570 -0.369 0.000 2.142 426 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 426 I C 2.617 178.585 176.117 -0.248 0.000 1.078 426 I CA 1.602 62.718 61.300 -0.307 0.000 1.343 426 I CB -1.516 36.285 38.000 -0.332 0.000 1.046 426 I HN 0.359 nan 8.210 nan 0.000 0.405 427 R N 0.172 120.519 120.500 -0.254 0.000 2.083 427 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 427 R C 2.347 178.475 176.300 -0.286 0.000 1.137 427 R CA 1.436 57.399 56.100 -0.228 0.000 0.951 427 R CB -0.426 29.749 30.300 -0.208 0.000 0.851 427 R HN 0.236 nan 8.270 nan 0.000 0.434 428 V N 0.852 120.508 119.914 -0.430 0.000 2.379 428 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 428 V C 2.542 178.269 176.094 -0.612 0.000 1.044 428 V CA 1.952 63.874 62.300 -0.630 0.000 1.036 428 V CB -0.405 30.773 31.823 -1.075 0.000 0.664 428 V HN 0.471 nan 8.190 nan 0.000 0.453 429 S N 0.513 115.911 115.700 -0.503 0.000 2.370 429 S HA -0.274 4.196 4.470 -0.000 0.000 0.226 429 S C 1.809 176.320 174.600 -0.148 0.000 1.033 429 S CA 1.899 59.982 58.200 -0.194 0.000 1.011 429 S CB -0.520 62.683 63.200 0.005 0.000 0.852 429 S HN 0.721 nan 8.310 nan 0.000 0.457 430 E N 1.497 121.602 120.200 -0.158 0.000 2.152 430 E HA 0.098 4.448 4.350 -0.000 0.000 0.192 430 E C 2.349 178.883 176.600 -0.110 0.000 0.983 430 E CA 0.833 57.164 56.400 -0.114 0.000 0.818 430 E CB -0.317 29.318 29.700 -0.108 0.000 0.758 430 E HN 0.739 nan 8.360 nan 0.000 0.467 431 A N 1.127 123.859 122.820 -0.147 0.000 2.016 431 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 431 A C 1.214 178.747 177.584 -0.085 0.000 1.162 431 A CA 0.147 52.112 52.037 -0.121 0.000 0.662 431 A CB -0.253 18.660 19.000 -0.145 0.000 0.812 431 A HN 0.088 nan 8.150 nan 0.000 0.450 432 L N 1.725 122.897 121.223 -0.085 0.000 2.500 432 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 432 L C -0.069 176.899 176.870 0.164 0.000 1.149 432 L CA -0.085 54.786 54.840 0.052 0.000 0.897 432 L CB 0.371 42.408 42.059 -0.037 0.000 1.178 432 L HN 0.359 nan 8.230 nan 0.000 0.473 433 E N 4.869 125.155 120.200 0.143 0.000 1.972 433 E HA 0.161 4.511 4.350 -0.000 0.000 0.292 433 E C -1.331 175.065 176.600 -0.340 0.000 1.193 433 E CA 0.043 56.392 56.400 -0.084 0.000 1.228 433 E CB 0.046 29.645 29.700 -0.167 0.000 1.167 433 E HN 0.366 nan 8.360 nan 0.000 0.479 434 Y N -1.431 118.840 120.300 -0.049 0.000 2.534 434 Y HA 0.315 4.865 4.550 0.000 0.000 0.345 434 Y C 1.292 177.162 175.900 -0.051 0.000 1.031 434 Y CA -1.050 57.027 58.100 -0.039 0.000 1.022 434 Y CB 1.813 40.240 38.460 -0.054 0.000 1.292 434 Y HN 0.257 nan 8.280 nan 0.000 0.459 435 G N 1.271 110.120 108.800 0.082 0.000 2.511 435 G HA2 0.083 4.043 3.960 -0.000 0.000 0.217 435 G HA3 0.083 4.043 3.960 -0.000 0.000 0.217 435 G C 0.062 174.953 174.900 -0.015 0.000 1.133 435 G CA 0.432 45.542 45.100 0.017 0.000 0.792 435 G HN 0.424 nan 8.290 nan 0.000 0.539 436 M N 0.258 119.864 119.600 0.010 0.000 2.324 436 M HA 0.453 4.933 4.480 -0.000 0.000 0.288 436 M C -1.814 174.413 176.300 -0.121 0.000 1.097 436 M CA -0.509 54.742 55.300 -0.082 0.000 0.928 436 M CB 3.445 35.989 32.600 -0.093 0.000 1.648 436 M HN -0.264 nan 8.290 nan 0.000 0.460 437 V N 1.626 121.461 119.914 -0.132 0.000 2.482 437 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 437 V C 0.212 176.233 176.094 -0.122 0.000 1.026 437 V CA -0.780 61.439 62.300 -0.136 0.000 0.856 437 V CB 1.851 33.676 31.823 0.003 0.000 1.001 437 V HN 1.011 nan 8.190 nan 0.000 0.424 438 G N 2.086 110.766 108.800 -0.200 0.000 2.353 438 G HA2 0.422 4.382 3.960 -0.000 0.000 0.284 438 G HA3 0.422 4.382 3.960 -0.000 0.000 0.284 438 G C -0.552 174.255 174.900 -0.155 0.000 1.172 438 G CA -0.175 44.886 45.100 -0.066 0.000 0.854 438 G HN 0.861 nan 8.290 nan 0.000 0.485 439 H N 2.661 121.483 119.070 -0.413 0.000 2.587 439 H HA 0.167 4.723 4.556 -0.000 0.000 0.325 439 H C 0.115 175.006 175.328 -0.729 0.000 1.012 439 H CA -0.764 54.792 56.048 -0.821 0.000 1.213 439 H CB 0.477 29.785 29.762 -0.757 0.000 1.431 439 H HN 0.576 nan 8.280 nan 0.000 0.492 440 N N 2.714 120.662 118.700 -1.253 0.000 2.725 440 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 440 N C -0.769 174.120 175.510 -1.035 0.000 1.103 440 N CA 1.570 53.621 53.050 -1.666 0.000 0.707 440 N CB -1.210 36.666 38.487 -1.017 0.000 1.043 440 N HN 0.711 nan 8.380 nan 0.000 0.553 441 T N -2.961 111.232 114.554 -0.602 0.000 3.047 441 T HA 0.565 4.915 4.350 -0.000 0.000 0.340 441 T C 0.699 175.540 174.700 0.236 0.000 1.421 441 T CA 0.049 62.138 62.100 -0.017 0.000 1.090 441 T CB 1.288 70.128 68.868 -0.045 0.000 1.292 441 T HN 0.090 nan 8.240 nan 0.000 0.480 442 G N 2.537 111.528 108.800 0.318 0.000 3.126 442 G HA2 0.404 4.364 3.960 -0.000 0.000 0.224 442 G HA3 0.404 4.364 3.960 -0.000 0.000 0.224 442 G C -0.008 175.006 174.900 0.190 0.000 1.142 442 G CA -0.045 45.202 45.100 0.245 0.000 0.759 442 G HN 0.594 nan 8.290 nan 0.000 0.550 443 L N 1.418 122.757 121.223 0.194 0.000 2.343 443 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 443 L C 0.586 177.546 176.870 0.150 0.000 0.996 443 L CA -0.662 54.262 54.840 0.140 0.000 0.831 443 L CB 1.886 43.983 42.059 0.063 0.000 1.232 443 L HN 0.258 nan 8.230 nan 0.000 0.413 444 I N -2.110 118.575 120.570 0.191 0.000 4.338 444 I HA 0.286 4.455 4.170 -0.000 0.000 0.329 444 I C 0.245 176.560 176.117 0.331 0.000 1.378 444 I CA -0.071 61.357 61.300 0.213 0.000 1.170 444 I CB 1.104 39.228 38.000 0.207 0.000 1.206 444 I HN 0.303 nan 8.210 nan 0.000 0.432 445 S N 3.323 119.120 115.700 0.161 0.000 2.523 445 S HA 0.496 4.966 4.470 -0.000 0.000 0.275 445 S C -0.350 174.234 174.600 -0.025 0.000 1.281 445 S CA -0.336 57.821 58.200 -0.071 0.000 1.050 445 S CB 0.545 63.498 63.200 -0.411 0.000 0.937 445 S HN 0.785 nan 8.310 nan 0.000 0.492 446 N N 0.753 119.464 118.700 0.018 0.000 3.378 446 N HA 0.191 4.931 4.740 -0.000 0.000 0.294 446 N C -0.163 175.235 175.510 -0.186 0.000 1.544 446 N CA -0.849 52.212 53.050 0.017 0.000 0.872 446 N CB 0.369 38.860 38.487 0.007 0.000 1.670 446 N HN 0.358 nan 8.380 nan 0.000 0.551 447 E N -0.230 119.644 120.200 -0.542 0.000 2.472 447 E HA 0.039 4.389 4.350 -0.000 0.000 0.196 447 E C 0.866 176.865 176.600 -1.001 0.000 1.033 447 E CA 0.883 56.663 56.400 -1.033 0.000 0.886 447 E CB -0.060 28.816 29.700 -1.374 0.000 0.944 447 E HN 0.535 nan 8.360 nan 0.000 0.492 448 V N -2.211 117.239 119.914 -0.773 0.000 3.565 448 V HA 0.537 4.657 4.120 -0.000 0.000 0.260 448 V C 1.081 176.905 176.094 -0.449 0.000 1.231 448 V CA 0.149 61.840 62.300 -1.016 0.000 1.100 448 V CB 0.074 31.468 31.823 -0.715 0.000 0.807 448 V HN 0.280 nan 8.190 nan 0.000 0.454 449 A N 1.788 124.529 122.820 -0.130 0.000 2.281 449 A HA 0.862 5.182 4.320 -0.000 0.000 0.329 449 A C -2.854 174.694 177.584 -0.060 0.000 1.122 449 A CA -2.127 49.846 52.037 -0.106 0.000 0.850 449 A CB 0.720 19.595 19.000 -0.209 0.000 1.207 449 A HN 0.288 nan 8.150 nan 0.000 0.495 450 P HA 0.366 nan 4.420 nan 0.000 0.287 450 P C -1.274 175.890 177.300 -0.227 0.000 1.294 450 P CA 0.326 63.447 63.100 0.035 0.000 0.776 450 P CB 0.158 31.943 31.700 0.141 0.000 0.889 451 F N 2.836 122.860 119.950 0.125 0.000 2.436 451 F HA 0.740 5.267 4.527 -0.000 0.000 0.340 451 F C 1.237 177.083 175.800 0.077 0.000 1.113 451 F CA 0.452 58.509 58.000 0.095 0.000 1.022 451 F CB 2.155 41.223 39.000 0.113 0.000 1.128 451 F HN 0.541 nan 8.300 nan 0.000 0.466 452 G N 0.942 109.849 108.800 0.178 0.000 2.320 452 G HA2 0.457 4.417 3.960 -0.000 0.000 0.297 452 G HA3 0.457 4.417 3.960 -0.000 0.000 0.297 452 G C -1.496 173.451 174.900 0.079 0.000 1.344 452 G CA -0.306 44.866 45.100 0.121 0.000 0.851 452 G HN 0.896 nan 8.290 nan 0.000 0.567 453 G N -1.525 107.315 108.800 0.067 0.000 2.511 453 G HA2 0.916 4.876 3.960 -0.000 0.000 0.318 453 G HA3 0.916 4.876 3.960 -0.000 0.000 0.318 453 G C 0.075 174.987 174.900 0.019 0.000 1.210 453 G CA 0.213 45.346 45.100 0.055 0.000 0.969 453 G HN 1.882 nan 8.290 nan 0.000 0.484 454 V N -1.875 118.032 119.914 -0.013 0.000 3.345 454 V HA 0.756 4.876 4.120 -0.000 0.000 0.308 454 V C 0.877 176.942 176.094 -0.049 0.000 1.168 454 V CA -0.447 61.827 62.300 -0.043 0.000 1.024 454 V CB 1.027 32.803 31.823 -0.078 0.000 1.211 454 V HN 1.085 nan 8.190 nan 0.000 0.461 455 K N -0.841 119.520 120.400 -0.064 0.000 1.867 455 K HA -0.316 4.004 4.320 -0.000 0.000 0.140 455 K C 1.070 177.655 176.600 -0.025 0.000 1.408 455 K CA 2.040 58.285 56.287 -0.069 0.000 0.461 455 K CB -1.226 31.203 32.500 -0.119 0.000 0.594 455 K HN 0.872 nan 8.250 nan 0.000 0.888 456 Q N 0.607 120.393 119.800 -0.023 0.000 2.322 456 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 456 Q C 1.031 177.146 176.000 0.191 0.000 0.923 456 Q CA 0.196 56.022 55.803 0.038 0.000 0.949 456 Q CB 0.385 29.085 28.738 -0.063 0.000 1.039 456 Q HN 0.322 nan 8.270 nan 0.000 0.496 457 S N -0.086 115.730 115.700 0.194 0.000 2.558 457 S HA 0.219 4.689 4.470 -0.000 0.000 0.217 457 S C 0.581 175.259 174.600 0.129 0.000 0.975 457 S CA 0.487 58.815 58.200 0.213 0.000 0.912 457 S CB 0.584 63.889 63.200 0.174 0.000 0.776 457 S HN 0.598 nan 8.310 nan 0.000 0.526 458 G N 0.264 109.123 108.800 0.098 0.000 2.359 458 G HA2 0.309 4.269 3.960 -0.000 0.000 0.293 458 G HA3 0.309 4.269 3.960 -0.000 0.000 0.293 458 G C -2.285 172.646 174.900 0.052 0.000 1.300 458 G CA -1.070 44.079 45.100 0.081 0.000 0.888 458 G HN 0.153 nan 8.290 nan 0.000 0.541 459 L N 0.350 121.603 121.223 0.050 0.000 2.431 459 L HA 0.738 5.078 4.340 -0.000 0.000 0.266 459 L C 0.704 177.591 176.870 0.028 0.000 0.978 459 L CA 0.070 54.927 54.840 0.029 0.000 0.822 459 L CB 1.897 43.971 42.059 0.025 0.000 1.310 459 L HN 2.330 nan 8.230 nan 0.000 0.409 460 G N 2.110 110.921 108.800 0.019 0.000 2.746 460 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.685 460 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.685 460 G C -1.330 173.607 174.900 0.062 0.000 1.350 460 G CA -0.926 44.191 45.100 0.028 0.000 0.837 460 G HN 0.485 nan 8.290 nan 0.000 0.564 461 R N 0.300 120.861 120.500 0.102 0.000 2.807 461 R HA 0.633 4.973 4.340 -0.000 0.000 0.276 461 R C -0.206 176.233 176.300 0.232 0.000 0.979 461 R CA -0.737 55.460 56.100 0.161 0.000 0.928 461 R CB 1.945 32.344 30.300 0.166 0.000 1.191 461 R HN 0.751 nan 8.270 nan 0.000 0.471 462 E N -0.214 120.158 120.200 0.286 0.000 2.263 462 E HA 0.582 4.932 4.350 -0.000 0.000 0.264 462 E C -0.200 176.709 176.600 0.516 0.000 0.923 462 E CA -0.637 55.967 56.400 0.341 0.000 0.802 462 E CB 2.037 31.845 29.700 0.181 0.000 1.228 462 E HN 0.753 nan 8.360 nan 0.000 0.417 463 G N 1.556 110.767 108.800 0.685 0.000 2.877 463 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.279 463 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.279 463 G C -0.023 175.105 174.900 0.381 0.000 1.431 463 G CA -0.024 45.437 45.100 0.602 0.000 0.883 463 G HN 1.629 nan 8.290 nan 0.000 0.547 464 S N -2.109 113.517 115.700 -0.124 0.000 3.845 464 S HA -0.169 4.301 4.470 -0.000 0.000 0.641 464 S C 1.361 176.211 174.600 0.416 0.000 1.900 464 S CA 1.492 59.689 58.200 -0.006 0.000 2.062 464 S CB -0.953 62.295 63.200 0.080 0.000 0.327 464 S HN 2.632 nan 8.310 nan 0.000 1.788 465 K N 0.266 120.774 120.400 0.179 0.000 2.519 465 K HA -0.071 4.249 4.320 -0.000 0.000 0.196 465 K C 1.156 177.656 176.600 -0.167 0.000 1.041 465 K CA 1.892 58.163 56.287 -0.027 0.000 0.954 465 K CB -0.473 31.867 32.500 -0.268 0.000 0.774 465 K HN 0.727 nan 8.250 nan 0.000 0.480 466 Y N 0.837 121.307 120.300 0.283 0.000 2.462 466 Y HA 0.257 4.807 4.550 -0.000 0.000 0.261 466 Y C 2.495 178.568 175.900 0.288 0.000 1.146 466 Y CA 0.083 58.322 58.100 0.232 0.000 1.283 466 Y CB -0.037 38.517 38.460 0.157 0.000 1.090 466 Y HN 0.171 nan 8.280 nan 0.000 0.526 467 G N 0.271 109.401 108.800 0.550 0.000 2.408 467 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 467 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 467 G C 1.666 176.786 174.900 0.366 0.000 1.150 467 G CA 0.707 46.127 45.100 0.533 0.000 0.776 467 G HN 0.457 nan 8.290 nan 0.000 0.542 468 I N 1.113 121.928 120.570 0.409 0.000 2.546 468 I HA -0.077 4.093 4.170 -0.000 0.000 0.255 468 I C 2.892 179.149 176.117 0.234 0.000 1.163 468 I CA 1.356 62.803 61.300 0.246 0.000 1.457 468 I CB -0.098 38.051 38.000 0.249 0.000 1.092 468 I HN 0.462 nan 8.210 nan 0.000 0.434 469 E N 0.286 120.618 120.200 0.219 0.000 2.265 469 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 469 E C 1.286 177.942 176.600 0.093 0.000 0.996 469 E CA 0.822 57.317 56.400 0.157 0.000 0.832 469 E CB -0.345 29.456 29.700 0.169 0.000 0.756 469 E HN 0.520 nan 8.360 nan 0.000 0.491 470 E N 0.272 120.511 120.200 0.066 0.000 2.333 470 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 470 E C 0.499 176.854 176.600 -0.408 0.000 1.007 470 E CA 0.914 57.210 56.400 -0.174 0.000 0.845 470 E CB -0.120 29.420 29.700 -0.268 0.000 0.766 470 E HN 0.590 nan 8.360 nan 0.000 0.507 471 Y N -0.395 119.917 120.300 0.020 0.000 2.636 471 Y HA 0.322 4.872 4.550 -0.000 0.000 0.260 471 Y C 0.518 176.433 175.900 0.025 0.000 1.177 471 Y CA -0.183 57.926 58.100 0.015 0.000 1.209 471 Y CB 0.613 39.069 38.460 -0.007 0.000 1.166 471 Y HN -0.180 nan 8.280 nan 0.000 0.531 472 L N 0.090 121.379 121.223 0.110 0.000 2.333 472 L HA 0.547 4.887 4.340 -0.000 0.000 0.263 472 L C -0.418 176.486 176.870 0.056 0.000 1.014 472 L CA -1.074 53.818 54.840 0.086 0.000 0.820 472 L CB 2.356 44.467 42.059 0.086 0.000 1.352 472 L HN -0.108 nan 8.230 nan 0.000 0.421 473 E N 0.571 120.802 120.200 0.051 0.000 2.227 473 E HA 0.411 4.761 4.350 -0.000 0.000 0.268 473 E C -1.106 175.524 176.600 0.050 0.000 0.907 473 E CA -0.543 55.883 56.400 0.043 0.000 0.786 473 E CB 2.460 32.182 29.700 0.038 0.000 1.191 473 E HN 0.433 nan 8.360 nan 0.000 0.411 474 T N 2.291 116.876 114.554 0.053 0.000 2.806 474 T HA 0.281 4.631 4.350 -0.000 0.000 0.290 474 T C 0.053 174.797 174.700 0.073 0.000 0.966 474 T CA -0.296 61.842 62.100 0.064 0.000 1.060 474 T CB 0.827 69.733 68.868 0.063 0.000 0.927 474 T HN 0.171 nan 8.240 nan 0.000 0.485 475 K N 2.818 123.267 120.400 0.083 0.000 2.413 475 K HA 0.320 4.640 4.320 -0.000 0.000 0.257 475 K C -1.554 175.133 176.600 0.145 0.000 0.946 475 K CA -0.827 55.515 56.287 0.093 0.000 0.823 475 K CB 1.081 33.614 32.500 0.055 0.000 1.109 475 K HN 0.586 nan 8.250 nan 0.000 0.427 476 Y N 6.139 126.450 120.300 0.019 0.000 2.350 476 Y HA 0.373 4.923 4.550 -0.000 0.000 0.340 476 Y C -0.998 174.912 175.900 0.017 0.000 1.006 476 Y CA -0.976 57.135 58.100 0.019 0.000 1.166 476 Y CB 0.414 38.885 38.460 0.018 0.000 1.168 476 Y HN 0.427 nan 8.280 nan 0.000 0.502 477 I N 7.276 127.770 120.570 -0.127 0.000 2.355 477 I HA 0.239 4.408 4.170 -0.000 0.000 0.288 477 I C -0.712 175.195 176.117 -0.351 0.000 0.999 477 I CA -0.640 60.497 61.300 -0.272 0.000 1.163 477 I CB 1.081 39.026 38.000 -0.091 0.000 1.316 477 I HN 0.648 nan 8.210 nan 0.000 0.454 478 C N 5.762 124.752 119.300 -0.517 0.000 2.251 478 C HA 0.621 5.081 4.460 -0.000 0.000 0.323 478 C C 0.198 175.120 174.990 -0.113 0.000 1.241 478 C CA -0.112 58.743 59.018 -0.271 0.000 1.601 478 C CB -0.410 27.128 27.740 -0.336 0.000 2.251 478 C HN 0.788 nan 8.230 nan 0.000 0.488 479 S N 4.479 120.168 115.700 -0.020 0.000 2.498 479 S HA 0.732 5.202 4.470 -0.000 0.000 0.317 479 S C -0.019 174.635 174.600 0.090 0.000 1.090 479 S CA -0.419 57.793 58.200 0.019 0.000 1.089 479 S CB 1.538 64.750 63.200 0.020 0.000 0.997 479 S HN 1.100 nan 8.310 nan 0.000 0.470 480 A N 2.874 125.740 122.820 0.077 0.000 2.340 480 A HA 0.756 5.076 4.320 -0.000 0.000 0.268 480 A C -0.541 177.145 177.584 0.171 0.000 1.100 480 A CA -0.441 51.655 52.037 0.099 0.000 0.803 480 A CB 0.070 19.084 19.000 0.023 0.000 1.043 480 A HN 0.947 nan 8.150 nan 0.000 0.488 481 Y N -1.498 118.801 120.300 -0.002 0.000 2.615 481 Y HA 0.782 5.332 4.550 -0.000 0.000 0.341 481 Y C -0.219 175.681 175.900 -0.001 0.000 1.089 481 Y CA -0.802 57.297 58.100 -0.002 0.000 1.049 481 Y CB 0.869 39.328 38.460 -0.001 0.000 1.296 481 Y HN 0.738 nan 8.280 nan 0.000 0.470 482 K N 2.397 122.722 120.400 -0.125 0.000 2.211 482 K HA 0.592 4.912 4.320 -0.000 0.000 0.275 482 K C -0.543 175.951 176.600 -0.176 0.000 1.024 482 K CA -0.890 55.281 56.287 -0.194 0.000 0.887 482 K CB 0.624 33.094 32.500 -0.050 0.000 1.084 482 K HN 0.883 nan 8.250 nan 0.000 0.463 483 R N 0.000 120.331 120.500 -0.282 0.000 2.786 483 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 483 R CA 0.000 56.049 56.100 -0.085 0.000 0.921 483 R CB 0.000 30.232 30.300 -0.114 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535