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 3mof_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMPPQLHNG LDFSAKVIQG SLDSLPQEVR KFVEGNAQLC QPEYIHICDG DATA SEQUENCE SEEEYGRLLA HMQEEGVIRK LKKYDNCWLA LTDPRDVARI ESKTVIITQE DATA SEQUENCE QRDTVPIPKS GQSQLGRWMS EEDFEKAFNA RFPGCMKGRT MYVIPFSMGP DATA SEQUENCE LGSPLAKIGI ELTDSPYVVA SMRIMTRMGT SVLEALGDGE FIKCLHSVGC DATA SEQUENCE PLPLKKPLVN NWACNPELTL IAHLPDRREI ISFGSGYGGN SLLGKKCFAL DATA SEQUENCE RIASRLAKEE GWLAEHMLIL GITNPEGKKK YLAAAFPSAC GKTNLAMMNP DATA SEQUENCE TLPGWKVECV GDDIAWMKFD AQGNLRAINP ENGFFGVAPG TSVKTNPNAI DATA SEQUENCE KTIQKNTIFT NVAETSDGGV YWEGIDEPLA PGVTITSWKN KEWRPQDEEP DATA SEQUENCE CAHPNSRFCT PASQCPIIDP AWESPEGVPI EGIIFGGRRP AGVPLVYEAL DATA SEQUENCE SWQHGVFVGA AMRSEATAGA EHKGKVIMHD PFAMRPFFGY NFGKYLAHWL DATA SEQUENCE SMAHRPAAKL PKIFHVNWFR KDKNGKFLWP GFGENSRVLE WMFGRIEGED DATA SEQUENCE SAKLTPIGYV PKEDALNLKG LGDVNVEELF GISKEFWEKE VEEIDKYLED DATA SEQUENCE QVNADLPYEI ERELRALKQR ISQM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 -1 G C 0.000 174.917 174.900 0.028 0.000 0.946 -1 G CA 0.000 45.117 45.100 0.028 0.000 0.502 0 S N 0.458 116.175 115.700 0.030 0.000 2.601 0 S HA 0.546 5.020 4.470 0.005 0.000 0.271 0 S C 0.730 175.350 174.600 0.033 0.000 1.305 0 S CA -0.518 57.699 58.200 0.027 0.000 1.022 0 S CB 1.379 64.593 63.200 0.024 0.000 0.940 0 S HN 1.062 nan 8.310 nan 0.000 0.525 1 M N 3.374 122.992 119.600 0.029 0.000 2.284 1 M HA 0.142 4.626 4.480 0.005 0.000 0.351 1 M C -2.184 174.138 176.300 0.036 0.000 1.443 1 M CA -1.099 54.221 55.300 0.033 0.000 1.031 1 M CB 0.206 32.820 32.600 0.023 0.000 1.893 1 M HN 0.475 nan 8.290 nan 0.000 0.456 2 P HA 0.324 nan 4.420 nan 0.000 0.271 2 P C -2.725 174.597 177.300 0.037 0.000 1.218 2 P CA -0.980 62.148 63.100 0.047 0.000 0.780 2 P CB -0.495 31.244 31.700 0.065 0.000 0.901 3 P HA 0.152 nan 4.420 nan 0.000 0.271 3 P C -0.684 176.632 177.300 0.027 0.000 1.233 3 P CA 0.149 63.262 63.100 0.022 0.000 0.789 3 P CB 0.384 32.095 31.700 0.018 0.000 0.951 4 Q N -0.427 119.381 119.800 0.014 0.000 2.594 4 Q HA 0.317 4.660 4.340 0.005 0.000 0.278 4 Q C -1.033 174.954 176.000 -0.022 0.000 0.961 4 Q CA -0.764 55.051 55.803 0.021 0.000 0.844 4 Q CB 0.294 29.055 28.738 0.038 0.000 1.475 4 Q HN 0.148 nan 8.270 nan 0.000 0.389 5 L N 0.543 121.746 121.223 -0.032 0.000 2.585 5 L HA 0.239 4.582 4.340 0.005 0.000 0.226 5 L C 0.818 177.360 176.870 -0.547 0.000 1.113 5 L CA 0.332 55.042 54.840 -0.217 0.000 0.876 5 L CB 0.020 41.972 42.059 -0.178 0.000 1.072 5 L HN 0.643 nan 8.230 nan 0.000 0.468 6 H N -1.185 117.880 119.070 -0.008 0.000 4.528 6 H HA 0.369 4.928 4.556 0.006 0.000 0.354 6 H C 0.078 175.391 175.328 -0.026 0.000 1.295 6 H CA -0.497 55.541 56.048 -0.017 0.000 0.752 6 H CB 0.603 30.354 29.762 -0.017 0.000 1.173 6 H HN -0.052 nan 8.280 nan 0.000 0.650 7 N N 0.023 118.788 118.700 0.109 0.000 2.142 7 N HA 0.084 4.828 4.740 0.005 0.000 0.233 7 N C 1.041 176.524 175.510 -0.046 0.000 1.335 7 N CA 0.282 53.337 53.050 0.007 0.000 0.837 7 N CB 1.740 40.220 38.487 -0.012 0.000 1.238 7 N HN 0.467 nan 8.380 nan 0.000 0.501 8 G N 0.268 109.061 108.800 -0.012 0.000 2.939 8 G HA2 0.151 4.114 3.960 0.005 0.000 0.210 8 G HA3 0.151 4.114 3.960 0.005 0.000 0.210 8 G C 1.296 176.185 174.900 -0.019 0.000 1.160 8 G CA 0.098 45.164 45.100 -0.057 0.000 0.770 8 G HN 0.097 nan 8.290 nan 0.000 0.543 9 L N -0.501 120.744 121.223 0.036 0.000 2.500 9 L HA 0.253 4.596 4.340 0.005 0.000 0.219 9 L C 0.419 177.406 176.870 0.195 0.000 1.057 9 L CA -0.099 54.826 54.840 0.142 0.000 0.854 9 L CB 0.280 42.407 42.059 0.113 0.000 1.078 9 L HN -0.022 nan 8.230 nan 0.000 0.480 10 D N 0.292 120.739 120.400 0.079 0.000 2.352 10 D HA 0.047 4.690 4.640 0.005 0.000 0.245 10 D C 0.358 176.678 176.300 0.035 0.000 1.224 10 D CA -0.073 53.982 54.000 0.091 0.000 0.879 10 D CB 0.725 41.546 40.800 0.035 0.000 1.057 10 D HN 0.001 nan 8.370 nan 0.000 0.491 11 F N 1.872 121.820 119.950 -0.002 0.000 2.804 11 F HA -0.009 4.522 4.527 0.005 0.000 0.303 11 F C 2.347 178.143 175.800 -0.007 0.000 1.154 11 F CA -0.185 57.810 58.000 -0.009 0.000 1.401 11 F CB 0.260 39.252 39.000 -0.014 0.000 1.106 11 F HN 0.305 nan 8.300 nan 0.000 0.568 12 S N 0.564 116.325 115.700 0.102 0.000 2.380 12 S HA -0.311 4.162 4.470 0.005 0.000 0.229 12 S C 2.402 177.024 174.600 0.037 0.000 1.043 12 S CA 1.386 59.623 58.200 0.063 0.000 1.038 12 S CB -0.487 62.734 63.200 0.034 0.000 0.872 12 S HN 0.465 nan 8.310 nan 0.000 0.456 13 A N 0.795 123.612 122.820 -0.004 0.000 2.172 13 A HA -0.005 4.318 4.320 0.005 0.000 0.216 13 A C 1.838 179.425 177.584 0.006 0.000 1.154 13 A CA 1.026 53.054 52.037 -0.015 0.000 0.701 13 A CB -0.216 18.752 19.000 -0.053 0.000 0.789 13 A HN 0.438 nan 8.150 nan 0.000 0.465 14 K N -0.460 119.959 120.400 0.032 0.000 2.358 14 K HA 0.225 4.549 4.320 0.005 0.000 0.197 14 K C -0.596 176.087 176.600 0.139 0.000 1.025 14 K CA -0.132 56.205 56.287 0.084 0.000 1.104 14 K CB 0.715 33.277 32.500 0.104 0.000 0.855 14 K HN 0.227 nan 8.250 nan 0.000 0.531 15 V N 3.265 123.240 119.914 0.100 0.000 2.408 15 V HA 0.078 4.201 4.120 0.005 0.000 0.267 15 V C 1.115 177.237 176.094 0.046 0.000 1.047 15 V CA -0.077 62.267 62.300 0.073 0.000 0.937 15 V CB 0.670 32.521 31.823 0.047 0.000 0.999 15 V HN 0.254 nan 8.190 nan 0.000 0.472 16 I N 1.570 122.162 120.570 0.037 0.000 3.860 16 I HA 0.379 4.552 4.170 0.005 0.000 0.319 16 I C 0.628 176.700 176.117 -0.075 0.000 1.279 16 I CA 0.441 61.742 61.300 0.001 0.000 1.220 16 I CB 0.275 38.274 38.000 -0.003 0.000 1.027 16 I HN 0.621 nan 8.210 nan 0.000 0.428 17 Q N 1.314 121.017 119.800 -0.160 0.000 2.295 17 Q HA 0.531 4.874 4.340 0.005 0.000 0.268 17 Q C -0.232 175.656 176.000 -0.185 0.000 1.010 17 Q CA 0.082 55.736 55.803 -0.248 0.000 0.856 17 Q CB 2.168 30.546 28.738 -0.599 0.000 1.349 17 Q HN 0.508 nan 8.270 nan 0.000 0.412 18 G N 1.645 110.377 108.800 -0.114 0.000 2.615 18 G HA2 -0.112 3.851 3.960 0.005 0.000 0.218 18 G HA3 -0.112 3.851 3.960 0.005 0.000 0.218 18 G C -0.963 173.913 174.900 -0.039 0.000 1.339 18 G CA -0.227 44.830 45.100 -0.071 0.000 0.884 18 G HN 0.996 nan 8.290 nan 0.000 0.559 19 S N -1.315 114.370 115.700 -0.025 0.000 2.626 19 S HA 0.536 5.009 4.470 0.005 0.000 0.275 19 S C 1.096 175.696 174.600 -0.001 0.000 1.175 19 S CA 0.182 58.377 58.200 -0.008 0.000 0.982 19 S CB 1.030 64.225 63.200 -0.008 0.000 1.093 19 S HN 1.064 nan 8.310 nan 0.000 0.472 20 L N 2.793 124.023 121.223 0.012 0.000 2.131 20 L HA -0.026 4.317 4.340 0.005 0.000 0.210 20 L C 1.625 178.505 176.870 0.017 0.000 1.092 20 L CA 0.989 55.841 54.840 0.019 0.000 0.759 20 L CB -0.299 41.784 42.059 0.040 0.000 0.903 20 L HN 0.609 nan 8.230 nan 0.000 0.435 21 D N -0.420 119.989 120.400 0.014 0.000 2.218 21 D HA -0.137 4.506 4.640 0.005 0.000 0.204 21 D C 2.246 178.550 176.300 0.006 0.000 0.976 21 D CA 1.626 55.633 54.000 0.012 0.000 0.853 21 D CB 0.050 40.856 40.800 0.010 0.000 0.939 21 D HN 0.377 nan 8.370 nan 0.000 0.481 22 S N -0.677 115.023 115.700 0.000 0.000 2.524 22 S HA 0.114 4.588 4.470 0.005 0.000 0.215 22 S C 0.894 175.488 174.600 -0.010 0.000 0.986 22 S CA -0.432 57.765 58.200 -0.005 0.000 0.911 22 S CB -0.041 63.154 63.200 -0.008 0.000 0.805 22 S HN 0.044 nan 8.310 nan 0.000 0.501 23 L N 2.418 123.635 121.223 -0.010 0.000 2.461 23 L HA 0.356 4.699 4.340 0.005 0.000 0.272 23 L C -2.305 174.557 176.870 -0.013 0.000 1.197 23 L CA -2.111 52.717 54.840 -0.020 0.000 0.836 23 L CB -0.109 41.940 42.059 -0.018 0.000 1.105 23 L HN 0.044 nan 8.230 nan 0.000 0.477 24 P HA -0.037 nan 4.420 nan 0.000 0.267 24 P C 0.041 177.354 177.300 0.022 0.000 1.200 24 P CA -0.166 62.930 63.100 -0.007 0.000 0.772 24 P CB 0.598 32.283 31.700 -0.025 0.000 0.855 25 Q N 2.255 122.080 119.800 0.042 0.000 2.045 25 Q HA -0.263 4.080 4.340 0.005 0.000 0.206 25 Q C 1.532 177.589 176.000 0.096 0.000 0.991 25 Q CA 2.080 57.918 55.803 0.058 0.000 0.851 25 Q CB -0.547 28.222 28.738 0.052 0.000 0.911 25 Q HN 0.372 nan 8.270 nan 0.000 0.418 26 E N -0.742 119.540 120.200 0.137 0.000 2.274 26 E HA -0.074 4.279 4.350 0.005 0.000 0.194 26 E C 2.030 178.826 176.600 0.327 0.000 0.996 26 E CA 0.899 57.437 56.400 0.229 0.000 0.840 26 E CB -0.039 29.822 29.700 0.269 0.000 0.772 26 E HN 0.302 nan 8.360 nan 0.000 0.491 27 V N 1.189 121.196 119.914 0.156 0.000 2.323 27 V HA -0.198 3.925 4.120 0.005 0.000 0.244 27 V C 2.601 178.764 176.094 0.115 0.000 1.041 27 V CA 1.753 64.062 62.300 0.015 0.000 1.025 27 V CB -0.531 31.153 31.823 -0.231 0.000 0.656 27 V HN 0.182 nan 8.190 nan 0.000 0.451 28 R N 0.531 121.075 120.500 0.073 0.000 2.083 28 R HA -0.220 4.123 4.340 0.005 0.000 0.237 28 R C 2.394 178.748 176.300 0.091 0.000 1.137 28 R CA 1.931 58.069 56.100 0.064 0.000 0.951 28 R CB -0.220 30.109 30.300 0.048 0.000 0.851 28 R HN 0.468 nan 8.270 nan 0.000 0.434 29 K N -0.470 120.009 120.400 0.132 0.000 2.063 29 K HA -0.185 4.138 4.320 0.005 0.000 0.208 29 K C 1.966 178.675 176.600 0.182 0.000 1.048 29 K CA 1.581 57.950 56.287 0.137 0.000 0.928 29 K CB -0.335 32.249 32.500 0.141 0.000 0.713 29 K HN 0.152 nan 8.250 nan 0.000 0.442 30 F N 1.605 121.616 119.950 0.103 0.000 2.102 30 F HA -0.195 4.335 4.527 0.005 0.000 0.298 30 F C 1.946 177.777 175.800 0.052 0.000 1.105 30 F CA 1.061 59.129 58.000 0.113 0.000 1.239 30 F CB -0.502 38.651 39.000 0.256 0.000 0.991 30 F HN -0.288 nan 8.300 nan 0.000 0.474 31 V N 0.292 120.147 119.914 -0.097 0.000 2.295 31 V HA -0.293 3.830 4.120 0.005 0.000 0.246 31 V C 2.420 178.355 176.094 -0.265 0.000 1.049 31 V CA 2.363 64.510 62.300 -0.256 0.000 1.024 31 V CB -0.687 31.072 31.823 -0.107 0.000 0.648 31 V HN 0.346 nan 8.190 nan 0.000 0.447 32 E N -0.185 119.926 120.200 -0.149 0.000 2.107 32 E HA -0.117 4.236 4.350 0.005 0.000 0.191 32 E C 2.278 178.767 176.600 -0.186 0.000 0.982 32 E CA 1.032 57.331 56.400 -0.169 0.000 0.809 32 E CB -0.386 29.313 29.700 -0.002 0.000 0.756 32 E HN 0.609 nan 8.360 nan 0.000 0.459 33 G N 0.933 109.676 108.800 -0.094 0.000 2.418 33 G HA2 -0.253 3.710 3.960 0.005 0.000 0.217 33 G HA3 -0.253 3.710 3.960 0.005 0.000 0.217 33 G C 1.467 176.304 174.900 -0.105 0.000 1.158 33 G CA 0.598 45.669 45.100 -0.048 0.000 0.771 33 G HN 0.176 nan 8.290 nan 0.000 0.545 34 N N 1.057 119.637 118.700 -0.199 0.000 2.331 34 N HA -0.026 4.717 4.740 0.005 0.000 0.180 34 N C 2.531 177.891 175.510 -0.250 0.000 1.019 34 N CA 0.938 53.864 53.050 -0.206 0.000 0.881 34 N CB -0.156 38.138 38.487 -0.320 0.000 0.972 34 N HN 0.311 nan 8.380 nan 0.000 0.435 35 A N 1.487 124.046 122.820 -0.434 0.000 1.902 35 A HA -0.185 4.138 4.320 0.005 0.000 0.217 35 A C 2.162 179.393 177.584 -0.587 0.000 1.181 35 A CA 1.261 52.861 52.037 -0.728 0.000 0.623 35 A CB -0.568 17.536 19.000 -1.493 0.000 0.818 35 A HN 0.301 nan 8.150 nan 0.000 0.443 36 Q N -1.100 118.481 119.800 -0.365 0.000 2.124 36 Q HA -0.141 4.202 4.340 0.005 0.000 0.202 36 Q C 2.063 178.090 176.000 0.044 0.000 0.977 36 Q CA 1.527 57.360 55.803 0.050 0.000 0.850 36 Q CB -0.312 28.494 28.738 0.113 0.000 0.901 36 Q HN 0.655 nan 8.270 nan 0.000 0.429 37 L N -0.546 120.670 121.223 -0.011 0.000 2.049 37 L HA -0.086 4.257 4.340 0.005 0.000 0.203 37 L C 1.864 178.749 176.870 0.026 0.000 1.074 37 L CA 1.675 56.532 54.840 0.028 0.000 0.749 37 L CB -0.371 41.720 42.059 0.054 0.000 0.907 37 L HN 0.209 nan 8.230 nan 0.000 0.439 38 C N -0.188 119.116 119.300 0.006 0.000 2.514 38 C HA 0.131 4.594 4.460 0.005 0.000 0.271 38 C C 1.179 176.182 174.990 0.022 0.000 1.399 38 C CA -0.031 59.007 59.018 0.033 0.000 1.765 38 C CB -1.187 26.585 27.740 0.052 0.000 1.893 38 C HN 0.706 nan 8.230 nan 0.000 0.531 39 Q N -0.652 119.166 119.800 0.030 0.000 2.468 39 Q HA -0.159 4.184 4.340 0.005 0.000 0.289 39 Q C -2.282 173.759 176.000 0.069 0.000 1.299 39 Q CA 0.104 55.965 55.803 0.097 0.000 0.838 39 Q CB -1.544 27.238 28.738 0.072 0.000 1.195 39 Q HN 0.517 nan 8.270 nan 0.000 0.456 40 P HA -0.103 nan 4.420 nan 0.000 0.269 40 P C 0.326 177.638 177.300 0.021 0.000 1.215 40 P CA 0.402 63.512 63.100 0.017 0.000 0.780 40 P CB 0.751 32.444 31.700 -0.013 0.000 0.898 41 E N 1.038 121.175 120.200 -0.105 0.000 2.158 41 E HA -0.094 4.259 4.350 0.005 0.000 0.191 41 E C -0.303 175.993 176.600 -0.506 0.000 0.982 41 E CA 0.820 56.997 56.400 -0.371 0.000 0.823 41 E CB 0.069 29.399 29.700 -0.616 0.000 0.766 41 E HN 0.478 nan 8.360 nan 0.000 0.468 42 Y N -0.967 119.344 120.300 0.019 0.000 2.581 42 Y HA 0.507 5.061 4.550 0.005 0.000 0.345 42 Y C -0.500 175.380 175.900 -0.034 0.000 1.036 42 Y CA -1.028 57.071 58.100 -0.002 0.000 1.042 42 Y CB 1.520 39.951 38.460 -0.048 0.000 1.289 42 Y HN -0.194 nan 8.280 nan 0.000 0.471 43 I N 1.322 121.982 120.570 0.150 0.000 2.466 43 I HA 0.272 4.445 4.170 0.005 0.000 0.289 43 I C -1.284 174.857 176.117 0.040 0.000 1.026 43 I CA -0.558 60.769 61.300 0.046 0.000 1.078 43 I CB 1.876 39.901 38.000 0.042 0.000 1.249 43 I HN 0.683 nan 8.210 nan 0.000 0.429 44 H N 6.792 125.792 119.070 -0.117 0.000 2.638 44 H HA 0.549 5.108 4.556 0.005 0.000 0.317 44 H C -1.024 174.321 175.328 0.028 0.000 1.006 44 H CA -0.462 55.547 56.048 -0.065 0.000 1.222 44 H CB 0.985 30.652 29.762 -0.158 0.000 1.419 44 H HN 0.462 nan 8.280 nan 0.000 0.489 45 I N 5.822 126.329 120.570 -0.104 0.000 2.337 45 I HA 0.090 4.264 4.170 0.005 0.000 0.291 45 I C 0.121 176.249 176.117 0.019 0.000 1.046 45 I CA -0.517 60.784 61.300 0.002 0.000 1.324 45 I CB 0.539 38.520 38.000 -0.031 0.000 1.409 45 I HN 0.623 nan 8.210 nan 0.000 0.494 46 C N 5.215 124.634 119.300 0.198 0.000 2.653 46 C HA 0.038 4.501 4.460 0.005 0.000 0.421 46 C C 1.508 176.562 174.990 0.106 0.000 1.334 46 C CA -0.388 58.769 59.018 0.232 0.000 1.885 46 C CB -0.169 27.712 27.740 0.236 0.000 2.645 46 C HN 0.827 nan 8.230 nan 0.000 0.601 47 D N 0.074 120.533 120.400 0.099 0.000 2.389 47 D HA 0.151 4.795 4.640 0.005 0.000 0.206 47 D C 1.470 177.802 176.300 0.053 0.000 1.055 47 D CA 0.733 54.765 54.000 0.053 0.000 0.856 47 D CB -0.215 40.603 40.800 0.030 0.000 0.957 47 D HN 0.933 nan 8.370 nan 0.000 0.509 48 G N 0.619 109.461 108.800 0.070 0.000 2.184 48 G HA2 -0.305 3.659 3.960 0.005 0.000 0.264 48 G HA3 -0.305 3.659 3.960 0.005 0.000 0.264 48 G C 0.451 175.368 174.900 0.028 0.000 0.975 48 G CA 0.639 45.761 45.100 0.036 0.000 0.642 48 G HN 0.887 nan 8.290 nan 0.000 0.536 49 S N -0.277 115.456 115.700 0.055 0.000 2.579 49 S HA 0.419 4.892 4.470 0.005 0.000 0.275 49 S C 1.158 175.807 174.600 0.083 0.000 1.345 49 S CA 0.618 58.852 58.200 0.057 0.000 1.031 49 S CB 1.317 64.554 63.200 0.062 0.000 0.892 49 S HN 0.452 nan 8.310 nan 0.000 0.529 50 E N 1.244 121.493 120.200 0.082 0.000 2.153 50 E HA -0.169 4.184 4.350 0.005 0.000 0.194 50 E C 2.071 178.765 176.600 0.157 0.000 0.988 50 E CA 1.344 57.825 56.400 0.134 0.000 0.811 50 E CB -0.098 29.670 29.700 0.113 0.000 0.746 50 E HN 0.849 nan 8.360 nan 0.000 0.466 51 E N 1.480 121.746 120.200 0.109 0.000 2.047 51 E HA -0.259 4.094 4.350 0.005 0.000 0.191 51 E C 1.980 178.638 176.600 0.097 0.000 0.987 51 E CA 1.139 57.594 56.400 0.092 0.000 0.799 51 E CB -0.456 29.286 29.700 0.070 0.000 0.752 51 E HN 0.404 nan 8.360 nan 0.000 0.449 52 E N 0.355 120.625 120.200 0.116 0.000 2.070 52 E HA -0.262 4.091 4.350 0.005 0.000 0.197 52 E C 2.115 178.785 176.600 0.117 0.000 1.004 52 E CA 1.196 57.676 56.400 0.134 0.000 0.805 52 E CB -0.343 29.462 29.700 0.175 0.000 0.744 52 E HN 0.296 nan 8.360 nan 0.000 0.451 53 Y N 0.691 120.985 120.300 -0.009 0.000 2.145 53 Y HA -0.049 4.504 4.550 0.005 0.000 0.286 53 Y C 2.200 178.055 175.900 -0.076 0.000 1.145 53 Y CA 2.028 60.093 58.100 -0.058 0.000 1.148 53 Y CB -0.880 37.557 38.460 -0.038 0.000 0.981 53 Y HN 0.119 nan 8.280 nan 0.000 0.507 54 G N 0.151 108.943 108.800 -0.013 0.000 2.446 54 G HA2 -0.268 3.695 3.960 0.005 0.000 0.217 54 G HA3 -0.268 3.695 3.960 0.005 0.000 0.217 54 G C 1.830 176.656 174.900 -0.123 0.000 1.168 54 G CA 0.986 46.034 45.100 -0.087 0.000 0.771 54 G HN 0.364 nan 8.290 nan 0.000 0.551 55 R N -0.730 119.740 120.500 -0.050 0.000 2.081 55 R HA 0.011 4.354 4.340 0.005 0.000 0.235 55 R C 2.491 178.750 176.300 -0.068 0.000 1.131 55 R CA 1.015 57.095 56.100 -0.034 0.000 0.960 55 R CB -0.530 29.773 30.300 0.005 0.000 0.856 55 R HN 0.344 nan 8.270 nan 0.000 0.436 56 L N 1.187 122.340 121.223 -0.117 0.000 2.046 56 L HA -0.134 4.209 4.340 0.005 0.000 0.208 56 L C 1.995 178.713 176.870 -0.252 0.000 1.077 56 L CA 1.563 56.319 54.840 -0.140 0.000 0.747 56 L CB -0.420 41.521 42.059 -0.196 0.000 0.896 56 L HN 0.130 nan 8.230 nan 0.000 0.432 57 L N -0.857 120.071 121.223 -0.492 0.000 2.012 57 L HA -0.228 4.115 4.340 0.005 0.000 0.210 57 L C 2.663 179.201 176.870 -0.552 0.000 1.073 57 L CA 1.401 55.754 54.840 -0.812 0.000 0.748 57 L CB -0.962 40.245 42.059 -1.420 0.000 0.891 57 L HN 0.353 nan 8.230 nan 0.000 0.431 58 A N -1.095 121.558 122.820 -0.279 0.000 1.908 58 A HA -0.300 4.023 4.320 0.005 0.000 0.218 58 A C 2.274 179.866 177.584 0.012 0.000 1.181 58 A CA 1.919 53.931 52.037 -0.041 0.000 0.627 58 A CB -1.041 17.980 19.000 0.035 0.000 0.818 58 A HN 0.591 nan 8.150 nan 0.000 0.445 59 H N -0.775 118.236 119.070 -0.099 0.000 2.353 59 H HA -0.090 4.469 4.556 0.005 0.000 0.300 59 H C 2.002 177.302 175.328 -0.047 0.000 1.090 59 H CA 1.920 57.932 56.048 -0.059 0.000 1.327 59 H CB -0.117 29.606 29.762 -0.064 0.000 1.383 59 H HN 0.485 nan 8.280 nan 0.000 0.508 60 M N 0.499 119.936 119.600 -0.273 0.000 2.213 60 M HA -0.173 4.310 4.480 0.005 0.000 0.263 60 M C 2.635 178.868 176.300 -0.112 0.000 1.062 60 M CA 1.438 56.581 55.300 -0.261 0.000 1.105 60 M CB -0.141 32.354 32.600 -0.175 0.000 1.385 60 M HN 0.361 nan 8.290 nan 0.000 0.417 61 Q N 1.098 120.872 119.800 -0.044 0.000 2.020 61 Q HA -0.239 4.104 4.340 0.005 0.000 0.202 61 Q C 1.826 177.863 176.000 0.062 0.000 0.982 61 Q CA 2.121 57.982 55.803 0.097 0.000 0.838 61 Q CB -0.052 28.826 28.738 0.234 0.000 0.899 61 Q HN 0.706 nan 8.270 nan 0.000 0.423 62 E N -0.257 119.964 120.200 0.035 0.000 2.204 62 E HA -0.182 4.171 4.350 0.005 0.000 0.194 62 E C 1.353 177.958 176.600 0.008 0.000 0.989 62 E CA 1.024 57.448 56.400 0.039 0.000 0.824 62 E CB -0.161 29.578 29.700 0.065 0.000 0.756 62 E HN 0.420 nan 8.360 nan 0.000 0.477 63 E N 0.425 120.589 120.200 -0.061 0.000 2.502 63 E HA 0.009 4.362 4.350 0.005 0.000 0.194 63 E C 0.925 177.511 176.600 -0.023 0.000 1.062 63 E CA 0.414 56.769 56.400 -0.075 0.000 0.867 63 E CB 0.254 29.826 29.700 -0.214 0.000 0.888 63 E HN 0.544 nan 8.360 nan 0.000 0.510 64 G N 1.134 109.941 108.800 0.010 0.000 2.155 64 G HA2 -0.309 3.654 3.960 0.005 0.000 0.257 64 G HA3 -0.309 3.654 3.960 0.005 0.000 0.257 64 G C 1.051 175.990 174.900 0.066 0.000 0.983 64 G CA 0.559 45.686 45.100 0.046 0.000 0.676 64 G HN 0.276 nan 8.290 nan 0.000 0.528 65 V N 0.543 120.485 119.914 0.048 0.000 2.649 65 V HA 0.259 4.382 4.120 0.005 0.000 0.248 65 V C 1.552 177.745 176.094 0.167 0.000 1.054 65 V CA 1.956 64.310 62.300 0.091 0.000 1.073 65 V CB -0.316 31.516 31.823 0.014 0.000 0.699 65 V HN 0.785 nan 8.190 nan 0.000 0.463 66 I N -2.496 118.168 120.570 0.157 0.000 3.074 66 I HA 0.647 4.820 4.170 0.005 0.000 0.310 66 I C -0.703 175.578 176.117 0.273 0.000 1.153 66 I CA -1.201 60.247 61.300 0.246 0.000 0.993 66 I CB 2.423 40.587 38.000 0.273 0.000 1.237 66 I HN -0.180 nan 8.210 nan 0.000 0.443 67 R N 1.913 122.608 120.500 0.326 0.000 2.670 67 R HA 0.458 4.801 4.340 0.005 0.000 0.289 67 R C -0.903 175.583 176.300 0.310 0.000 0.965 67 R CA -1.008 55.259 56.100 0.279 0.000 0.899 67 R CB 2.523 32.920 30.300 0.163 0.000 1.173 67 R HN 0.559 nan 8.270 nan 0.000 0.456 68 K N 2.391 122.848 120.400 0.096 0.000 2.350 68 K HA 0.160 4.484 4.320 0.005 0.000 0.279 68 K C -0.568 175.889 176.600 -0.238 0.000 1.027 68 K CA -0.122 55.920 56.287 -0.409 0.000 0.969 68 K CB 0.542 32.695 32.500 -0.578 0.000 0.954 68 K HN 0.425 nan 8.250 nan 0.000 0.474 69 L N 6.735 127.796 121.223 -0.270 0.000 2.315 69 L HA 0.165 4.508 4.340 0.005 0.000 0.278 69 L C 1.220 177.942 176.870 -0.246 0.000 1.088 69 L CA -0.208 54.540 54.840 -0.153 0.000 0.899 69 L CB 0.449 42.534 42.059 0.043 0.000 1.277 69 L HN 0.705 nan 8.230 nan 0.000 0.431 70 K N 1.327 121.578 120.400 -0.248 0.000 2.442 70 K HA -0.145 4.178 4.320 0.005 0.000 0.198 70 K C 1.645 178.081 176.600 -0.272 0.000 1.042 70 K CA 0.823 56.970 56.287 -0.233 0.000 0.958 70 K CB 0.092 32.490 32.500 -0.171 0.000 0.766 70 K HN 0.364 nan 8.250 nan 0.000 0.474 71 K N 0.023 120.152 120.400 -0.452 0.000 2.288 71 K HA -0.052 4.272 4.320 0.005 0.000 0.201 71 K C -0.311 175.963 176.600 -0.544 0.000 1.048 71 K CA 0.707 56.635 56.287 -0.598 0.000 0.956 71 K CB 0.128 32.087 32.500 -0.901 0.000 0.746 71 K HN 0.121 nan 8.250 nan 0.000 0.461 72 Y N -0.244 120.019 120.300 -0.062 0.000 2.699 72 Y HA 0.257 4.811 4.550 0.005 0.000 0.326 72 Y C -0.304 175.573 175.900 -0.039 0.000 1.141 72 Y CA -2.182 55.901 58.100 -0.028 0.000 1.246 72 Y CB 0.306 38.778 38.460 0.019 0.000 1.426 72 Y HN -0.145 nan 8.280 nan 0.000 0.559 73 D N 0.968 121.483 120.400 0.193 0.000 2.359 73 D HA 0.109 4.753 4.640 0.005 0.000 0.230 73 D C -0.256 176.110 176.300 0.111 0.000 1.118 73 D CA -0.194 53.870 54.000 0.106 0.000 0.844 73 D CB -0.158 40.702 40.800 0.102 0.000 1.059 73 D HN 0.592 nan 8.370 nan 0.000 0.493 74 N N 2.660 121.393 118.700 0.054 0.000 2.714 74 N HA -0.213 4.530 4.740 0.005 0.000 0.252 74 N C -1.522 174.061 175.510 0.123 0.000 1.014 74 N CA 0.520 53.642 53.050 0.119 0.000 0.735 74 N CB -1.410 37.250 38.487 0.289 0.000 0.924 74 N HN 0.318 nan 8.380 nan 0.000 0.540 75 C N -0.134 119.102 119.300 -0.106 0.000 2.529 75 C HA 0.820 5.283 4.460 0.005 0.000 0.329 75 C C -0.144 174.700 174.990 -0.243 0.000 1.194 75 C CA -0.596 58.486 59.018 0.106 0.000 1.779 75 C CB 0.621 28.592 27.740 0.386 0.000 2.322 75 C HN 0.535 nan 8.230 nan 0.000 0.500 76 W N 1.243 122.747 121.300 0.339 0.000 3.107 76 W HA 0.680 5.343 4.660 0.005 0.000 0.331 76 W C -0.989 175.746 176.519 0.360 0.000 1.204 76 W CA -0.637 56.872 57.345 0.273 0.000 1.184 76 W CB 1.061 30.628 29.460 0.178 0.000 1.421 76 W HN 0.363 nan 8.180 nan 0.000 0.544 77 L N 2.666 124.198 121.223 0.516 0.000 2.376 77 L HA 0.911 5.254 4.340 0.005 0.000 0.275 77 L C -0.707 176.383 176.870 0.367 0.000 0.987 77 L CA -0.696 54.399 54.840 0.425 0.000 0.828 77 L CB 1.203 43.439 42.059 0.295 0.000 1.249 77 L HN 0.515 nan 8.230 nan 0.000 0.409 78 A N 6.075 129.109 122.820 0.356 0.000 2.330 78 A HA 0.807 5.130 4.320 0.005 0.000 0.327 78 A C -1.234 176.426 177.584 0.127 0.000 1.155 78 A CA -0.552 51.643 52.037 0.264 0.000 0.803 78 A CB 0.769 19.966 19.000 0.328 0.000 1.208 78 A HN 0.719 nan 8.150 nan 0.000 0.477 79 L N 2.446 123.713 121.223 0.073 0.000 2.322 79 L HA 0.541 4.884 4.340 0.005 0.000 0.281 79 L C 0.765 177.516 176.870 -0.198 0.000 1.014 79 L CA -0.624 54.228 54.840 0.020 0.000 0.815 79 L CB 2.097 44.208 42.059 0.085 0.000 1.247 79 L HN 0.916 nan 8.230 nan 0.000 0.421 80 T N -2.386 111.924 114.554 -0.406 0.000 2.912 80 T HA 0.216 4.569 4.350 0.005 0.000 0.280 80 T C -0.138 174.346 174.700 -0.360 0.000 0.989 80 T CA -0.861 60.647 62.100 -0.986 0.000 0.995 80 T CB 1.732 69.810 68.868 -1.316 0.000 1.077 80 T HN 0.489 nan 8.240 nan 0.000 0.531 81 D N 1.832 122.067 120.400 -0.275 0.000 2.458 81 D HA 0.099 4.742 4.640 0.005 0.000 0.243 81 D C -1.206 175.095 176.300 0.003 0.000 1.146 81 D CA -1.888 52.130 54.000 0.029 0.000 0.877 81 D CB 1.318 42.261 40.800 0.239 0.000 1.176 81 D HN 0.294 nan 8.370 nan 0.000 0.461 82 P HA -0.059 nan 4.420 nan 0.000 0.234 82 P C 0.757 178.113 177.300 0.095 0.000 1.167 82 P CA 0.601 63.804 63.100 0.170 0.000 0.763 82 P CB 0.245 32.036 31.700 0.151 0.000 0.835 83 R N -0.526 120.011 120.500 0.062 0.000 2.297 83 R HA 0.051 4.394 4.340 0.005 0.000 0.197 83 R C 0.394 176.710 176.300 0.028 0.000 0.943 83 R CA 0.390 56.520 56.100 0.050 0.000 1.038 83 R CB -0.051 30.288 30.300 0.064 0.000 0.957 83 R HN 0.042 nan 8.270 nan 0.000 0.484 84 D N 0.324 120.731 120.400 0.012 0.000 2.502 84 D HA 0.071 4.714 4.640 0.005 0.000 0.301 84 D C 0.382 176.557 176.300 -0.209 0.000 1.202 84 D CA -0.245 53.775 54.000 0.033 0.000 0.878 84 D CB 1.094 42.069 40.800 0.292 0.000 1.062 84 D HN -0.026 nan 8.370 nan 0.000 0.499 85 V N -0.407 119.215 119.914 -0.485 0.000 3.398 85 V HA 0.840 4.963 4.120 0.005 0.000 0.298 85 V C 0.545 175.733 176.094 -1.511 0.000 1.496 85 V CA 0.345 61.970 62.300 -1.125 0.000 1.044 85 V CB -0.099 31.102 31.823 -1.036 0.000 0.880 85 V HN 0.368 nan 8.190 nan 0.000 0.443 86 A N 0.033 122.385 122.820 -0.780 0.000 2.536 86 A HA 0.731 5.054 4.320 0.005 0.000 0.293 86 A C -0.567 177.007 177.584 -0.018 0.000 1.119 86 A CA -1.069 50.768 52.037 -0.334 0.000 0.654 86 A CB 0.884 19.769 19.000 -0.192 0.000 1.291 86 A HN 0.227 nan 8.150 nan 0.000 0.439 87 R N -0.491 120.071 120.500 0.104 0.000 2.734 87 R HA 0.378 4.721 4.340 0.005 0.000 0.266 87 R C -0.907 175.416 176.300 0.038 0.000 1.044 87 R CA 0.557 56.728 56.100 0.119 0.000 1.128 87 R CB 0.140 30.529 30.300 0.148 0.000 1.010 87 R HN 0.508 nan 8.270 nan 0.000 0.461 88 I N 2.045 122.647 120.570 0.053 0.000 2.448 88 I HA 0.097 4.270 4.170 0.005 0.000 0.281 88 I C 0.627 176.754 176.117 0.016 0.000 1.027 88 I CA -0.203 61.101 61.300 0.007 0.000 1.111 88 I CB 1.821 39.840 38.000 0.032 0.000 1.236 88 I HN 0.661 nan 8.210 nan 0.000 0.452 89 E N 2.245 122.423 120.200 -0.037 0.000 2.150 89 E HA -0.157 4.196 4.350 0.005 0.000 0.193 89 E C 1.995 178.611 176.600 0.027 0.000 0.985 89 E CA 1.440 57.833 56.400 -0.011 0.000 0.814 89 E CB 0.202 29.895 29.700 -0.013 0.000 0.752 89 E HN 0.766 nan 8.360 nan 0.000 0.466 90 S N 0.538 116.248 115.700 0.017 0.000 2.474 90 S HA -0.063 4.410 4.470 0.005 0.000 0.235 90 S C 1.461 176.101 174.600 0.067 0.000 0.997 90 S CA 0.743 58.969 58.200 0.043 0.000 0.949 90 S CB 0.023 63.240 63.200 0.028 0.000 0.766 90 S HN 0.072 nan 8.310 nan 0.000 0.517 91 K N 1.024 121.471 120.400 0.079 0.000 2.455 91 K HA 0.218 4.541 4.320 0.005 0.000 0.206 91 K C -0.690 175.999 176.600 0.148 0.000 1.027 91 K CA -0.031 56.322 56.287 0.111 0.000 1.113 91 K CB 0.925 33.493 32.500 0.112 0.000 0.850 91 K HN 0.210 nan 8.250 nan 0.000 0.503 92 T N 1.739 116.380 114.554 0.144 0.000 2.770 92 T HA 0.366 4.719 4.350 0.005 0.000 0.283 92 T C -0.462 174.352 174.700 0.189 0.000 0.988 92 T CA -0.680 61.542 62.100 0.202 0.000 0.957 92 T CB 1.447 70.422 68.868 0.178 0.000 0.930 92 T HN 0.003 nan 8.240 nan 0.000 0.443 93 V N 1.396 121.458 119.914 0.247 0.000 2.962 93 V HA 0.766 4.890 4.120 0.005 0.000 0.313 93 V C -0.949 175.282 176.094 0.228 0.000 1.099 93 V CA -1.209 61.198 62.300 0.179 0.000 0.971 93 V CB 1.933 33.819 31.823 0.106 0.000 1.028 93 V HN 0.816 nan 8.190 nan 0.000 0.430 94 I N 2.967 123.623 120.570 0.144 0.000 2.509 94 I HA 0.527 4.701 4.170 0.005 0.000 0.293 94 I C -1.222 174.934 176.117 0.065 0.000 1.020 94 I CA -0.672 60.711 61.300 0.138 0.000 1.088 94 I CB 2.142 40.230 38.000 0.147 0.000 1.267 94 I HN 0.488 nan 8.210 nan 0.000 0.430 95 I N 5.185 125.751 120.570 -0.007 0.000 2.339 95 I HA 0.400 4.573 4.170 0.005 0.000 0.290 95 I C 0.228 176.400 176.117 0.093 0.000 0.994 95 I CA 0.114 61.373 61.300 -0.068 0.000 1.191 95 I CB 1.600 39.469 38.000 -0.219 0.000 1.343 95 I HN 0.613 nan 8.210 nan 0.000 0.458 96 T N 1.221 115.942 114.554 0.277 0.000 2.883 96 T HA 0.332 4.685 4.350 0.005 0.000 0.301 96 T C 0.373 175.313 174.700 0.399 0.000 1.158 96 T CA -0.705 61.576 62.100 0.302 0.000 1.007 96 T CB 1.695 70.733 68.868 0.283 0.000 1.186 96 T HN 0.348 nan 8.240 nan 0.000 0.499 97 Q N 0.706 120.642 119.800 0.227 0.000 2.084 97 Q HA -0.002 4.341 4.340 0.005 0.000 0.202 97 Q C 0.190 176.326 176.000 0.225 0.000 0.978 97 Q CA 1.697 57.624 55.803 0.207 0.000 0.844 97 Q CB 0.012 28.814 28.738 0.106 0.000 0.898 97 Q HN 0.788 nan 8.270 nan 0.000 0.426 98 E N -0.192 120.064 120.200 0.092 0.000 2.199 98 E HA 0.081 4.434 4.350 0.005 0.000 0.269 98 E C -0.201 176.143 176.600 -0.427 0.000 0.899 98 E CA -0.393 55.929 56.400 -0.130 0.000 0.772 98 E CB 1.398 31.031 29.700 -0.112 0.000 1.155 98 E HN 0.278 nan 8.360 nan 0.000 0.408 99 Q N 2.978 122.146 119.800 -1.053 0.000 2.135 99 Q HA -0.210 4.133 4.340 0.005 0.000 0.204 99 Q C 1.949 177.581 176.000 -0.613 0.000 0.981 99 Q CA 1.527 56.392 55.803 -1.564 0.000 0.856 99 Q CB 0.122 27.868 28.738 -1.652 0.000 0.902 99 Q HN 0.431 nan 8.270 nan 0.000 0.425 100 R N 0.002 120.269 120.500 -0.388 0.000 2.193 100 R HA -0.133 4.210 4.340 0.005 0.000 0.229 100 R C 1.094 177.324 176.300 -0.117 0.000 1.110 100 R CA 1.499 57.477 56.100 -0.204 0.000 0.988 100 R CB 0.112 30.318 30.300 -0.156 0.000 0.871 100 R HN 0.348 nan 8.270 nan 0.000 0.458 101 D N -1.034 119.304 120.400 -0.104 0.000 2.219 101 D HA -0.086 4.557 4.640 0.005 0.000 0.205 101 D C 1.293 177.628 176.300 0.059 0.000 0.970 101 D CA 1.290 55.288 54.000 -0.004 0.000 0.851 101 D CB 0.121 40.928 40.800 0.012 0.000 0.943 101 D HN 0.216 nan 8.370 nan 0.000 0.488 102 T N -0.411 114.160 114.554 0.028 0.000 3.021 102 T HA 0.112 4.465 4.350 0.005 0.000 0.245 102 T C 0.865 175.597 174.700 0.054 0.000 1.028 102 T CA 0.341 62.506 62.100 0.109 0.000 1.139 102 T CB 0.672 69.686 68.868 0.244 0.000 0.884 102 T HN 0.039 nan 8.240 nan 0.000 0.457 103 V N -1.154 118.754 119.914 -0.011 0.000 2.971 103 V HA 0.641 4.764 4.120 0.005 0.000 0.309 103 V C -3.338 172.713 176.094 -0.073 0.000 1.130 103 V CA -3.316 58.964 62.300 -0.033 0.000 0.964 103 V CB 1.947 33.771 31.823 0.002 0.000 1.029 103 V HN -0.162 nan 8.190 nan 0.000 0.427 104 P HA 0.245 nan 4.420 nan 0.000 0.269 104 P C -0.454 176.794 177.300 -0.086 0.000 1.215 104 P CA -0.088 62.962 63.100 -0.085 0.000 0.780 104 P CB 0.264 31.913 31.700 -0.085 0.000 0.898 105 I N 4.166 124.681 120.570 -0.092 0.000 2.363 105 I HA 0.141 4.315 4.170 0.005 0.000 0.292 105 I C -1.912 174.162 176.117 -0.071 0.000 1.075 105 I CA -2.698 58.550 61.300 -0.086 0.000 1.333 105 I CB -0.053 37.892 38.000 -0.092 0.000 1.415 105 I HN 0.163 nan 8.210 nan 0.000 0.502 106 P HA 0.198 nan 4.420 nan 0.000 0.279 106 P C 0.381 177.651 177.300 -0.050 0.000 1.239 106 P CA -0.471 62.590 63.100 -0.064 0.000 0.789 106 P CB 1.342 33.011 31.700 -0.052 0.000 0.933 107 K N 1.257 121.625 120.400 -0.054 0.000 2.057 107 K HA -0.093 4.231 4.320 0.005 0.000 0.207 107 K C 2.032 178.616 176.600 -0.027 0.000 1.049 107 K CA 2.112 58.375 56.287 -0.039 0.000 0.931 107 K CB -0.364 32.112 32.500 -0.040 0.000 0.714 107 K HN 0.562 nan 8.250 nan 0.000 0.440 108 S N -0.821 114.863 115.700 -0.026 0.000 2.453 108 S HA 0.011 4.485 4.470 0.005 0.000 0.231 108 S C 1.560 176.158 174.600 -0.003 0.000 1.005 108 S CA 0.941 59.134 58.200 -0.012 0.000 0.949 108 S CB 0.187 63.382 63.200 -0.009 0.000 0.774 108 S HN 0.474 nan 8.310 nan 0.000 0.510 109 G N -0.000 108.796 108.800 -0.006 0.000 2.213 109 G HA2 -0.179 3.784 3.960 0.005 0.000 0.226 109 G HA3 -0.179 3.784 3.960 0.005 0.000 0.226 109 G C -0.174 174.737 174.900 0.019 0.000 0.992 109 G CA -0.026 45.077 45.100 0.006 0.000 0.632 109 G HN 0.575 nan 8.290 nan 0.000 0.511 110 Q N 0.820 120.630 119.800 0.017 0.000 2.327 110 Q HA 0.569 4.912 4.340 0.005 0.000 0.270 110 Q C -0.516 175.497 176.000 0.022 0.000 1.022 110 Q CA -0.224 55.597 55.803 0.030 0.000 0.773 110 Q CB 1.966 30.726 28.738 0.037 0.000 1.251 110 Q HN 0.226 nan 8.270 nan 0.000 0.457 111 S N 2.088 117.806 115.700 0.030 0.000 2.565 111 S HA 0.131 4.604 4.470 0.005 0.000 0.274 111 S C 0.339 174.959 174.600 0.034 0.000 1.309 111 S CA -0.112 58.098 58.200 0.017 0.000 1.043 111 S CB 0.665 63.876 63.200 0.019 0.000 0.939 111 S HN 0.623 nan 8.310 nan 0.000 0.504 112 Q N 3.481 123.297 119.800 0.027 0.000 2.188 112 Q HA 0.349 4.692 4.340 0.005 0.000 0.212 112 Q C 0.096 176.121 176.000 0.042 0.000 0.846 112 Q CA 0.057 55.891 55.803 0.050 0.000 0.989 112 Q CB 0.313 29.106 28.738 0.091 0.000 1.114 112 Q HN 0.642 nan 8.270 nan 0.000 0.488 113 L N -0.454 120.784 121.223 0.025 0.000 3.014 113 L HA 0.475 4.818 4.340 0.005 0.000 0.263 113 L C 0.487 177.409 176.870 0.087 0.000 1.207 113 L CA -0.408 54.453 54.840 0.035 0.000 1.017 113 L CB 1.147 43.164 42.059 -0.071 0.000 1.360 113 L HN 0.195 nan 8.230 nan 0.000 0.560 114 G N 0.294 109.134 108.800 0.067 0.000 2.368 114 G HA2 0.163 4.126 3.960 0.005 0.000 0.302 114 G HA3 0.163 4.126 3.960 0.005 0.000 0.302 114 G C -1.852 173.108 174.900 0.101 0.000 1.329 114 G CA -0.963 44.185 45.100 0.080 0.000 0.935 114 G HN -0.022 nan 8.290 nan 0.000 0.590 115 R N -0.675 119.900 120.500 0.125 0.000 2.514 115 R HA 0.523 4.866 4.340 0.005 0.000 0.296 115 R C -1.490 174.939 176.300 0.215 0.000 1.012 115 R CA -0.838 55.355 56.100 0.156 0.000 0.897 115 R CB 1.403 31.773 30.300 0.117 0.000 1.184 115 R HN 0.724 nan 8.270 nan 0.000 0.440 116 W N 6.723 128.055 121.300 0.054 0.000 2.438 116 W HA 0.490 5.152 4.660 0.004 0.000 0.324 116 W C -1.228 175.332 176.519 0.070 0.000 1.119 116 W CA -0.842 56.536 57.345 0.056 0.000 1.221 116 W CB 1.255 30.741 29.460 0.043 0.000 1.253 116 W HN 0.485 nan 8.180 nan 0.000 0.555 117 M N 6.096 125.211 119.600 -0.808 0.000 2.393 117 M HA 0.349 4.832 4.480 0.005 0.000 0.299 117 M C -0.260 175.241 176.300 -1.332 0.000 1.103 117 M CA -0.566 54.204 55.300 -0.884 0.000 0.910 117 M CB 1.683 34.112 32.600 -0.285 0.000 1.659 117 M HN 0.552 nan 8.290 nan 0.000 0.445 118 S N 2.460 117.386 115.700 -1.291 0.000 2.579 118 S HA 0.108 4.581 4.470 0.005 0.000 0.275 118 S C 0.774 175.233 174.600 -0.234 0.000 1.345 118 S CA -0.334 57.457 58.200 -0.681 0.000 1.031 118 S CB 1.041 64.056 63.200 -0.308 0.000 0.892 118 S HN 0.861 nan 8.310 nan 0.000 0.529 119 E N 1.362 121.527 120.200 -0.057 0.000 2.118 119 E HA -0.204 4.149 4.350 0.005 0.000 0.195 119 E C 2.131 178.766 176.600 0.059 0.000 0.992 119 E CA 1.722 58.143 56.400 0.034 0.000 0.804 119 E CB -0.209 29.520 29.700 0.049 0.000 0.741 119 E HN 0.967 nan 8.360 nan 0.000 0.458 120 E N 0.283 120.497 120.200 0.023 0.000 2.107 120 E HA -0.175 4.178 4.350 0.005 0.000 0.191 120 E C 1.209 177.810 176.600 0.001 0.000 0.982 120 E CA 1.083 57.493 56.400 0.018 0.000 0.809 120 E CB -0.186 29.527 29.700 0.021 0.000 0.756 120 E HN 0.052 nan 8.360 nan 0.000 0.459 121 D N 0.632 121.019 120.400 -0.020 0.000 2.117 121 D HA -0.118 4.525 4.640 0.005 0.000 0.197 121 D C 1.634 177.936 176.300 0.003 0.000 0.987 121 D CA 0.893 54.876 54.000 -0.028 0.000 0.829 121 D CB -0.559 40.196 40.800 -0.074 0.000 0.961 121 D HN 0.207 nan 8.370 nan 0.000 0.460 122 F N 1.617 121.516 119.950 -0.085 0.000 2.134 122 F HA -0.165 4.365 4.527 0.005 0.000 0.299 122 F C 2.233 178.048 175.800 0.025 0.000 1.097 122 F CA 1.328 59.307 58.000 -0.034 0.000 1.264 122 F CB -0.118 38.845 39.000 -0.061 0.000 1.001 122 F HN -0.181 nan 8.300 nan 0.000 0.479 123 E N 0.558 120.695 120.200 -0.105 0.000 2.085 123 E HA -0.213 4.140 4.350 0.005 0.000 0.194 123 E C 2.142 178.672 176.600 -0.118 0.000 0.994 123 E CA 1.774 58.090 56.400 -0.141 0.000 0.801 123 E CB -0.151 29.528 29.700 -0.036 0.000 0.743 123 E HN 0.398 nan 8.360 nan 0.000 0.453 124 K N -0.330 120.014 120.400 -0.093 0.000 2.026 124 K HA -0.103 4.220 4.320 0.005 0.000 0.208 124 K C 2.204 178.732 176.600 -0.122 0.000 1.048 124 K CA 1.133 57.373 56.287 -0.078 0.000 0.929 124 K CB -0.239 32.230 32.500 -0.052 0.000 0.713 124 K HN 0.146 nan 8.250 nan 0.000 0.439 125 A N 1.289 124.007 122.820 -0.170 0.000 1.908 125 A HA -0.190 4.133 4.320 0.005 0.000 0.218 125 A C 2.021 179.450 177.584 -0.257 0.000 1.181 125 A CA 1.280 53.202 52.037 -0.192 0.000 0.627 125 A CB -0.704 18.212 19.000 -0.140 0.000 0.818 125 A HN 0.367 nan 8.150 nan 0.000 0.445 126 F N 1.359 120.981 119.950 -0.547 0.000 2.146 126 F HA -0.170 4.360 4.527 0.005 0.000 0.298 126 F C 1.940 177.635 175.800 -0.176 0.000 1.096 126 F CA 1.975 59.728 58.000 -0.412 0.000 1.275 126 F CB -0.173 38.423 39.000 -0.674 0.000 1.008 126 F HN 0.204 nan 8.300 nan 0.000 0.480 127 N N 0.743 119.410 118.700 -0.055 0.000 2.309 127 N HA -0.082 4.661 4.740 0.005 0.000 0.182 127 N C 1.676 177.082 175.510 -0.174 0.000 1.018 127 N CA 1.168 54.165 53.050 -0.088 0.000 0.876 127 N CB -0.619 37.864 38.487 -0.007 0.000 0.972 127 N HN 0.396 nan 8.380 nan 0.000 0.434 128 A N 0.063 122.760 122.820 -0.206 0.000 2.238 128 A HA 0.127 4.450 4.320 0.005 0.000 0.208 128 A C 1.964 179.331 177.584 -0.362 0.000 1.177 128 A CA 0.435 52.338 52.037 -0.223 0.000 0.804 128 A CB 0.086 18.982 19.000 -0.174 0.000 0.823 128 A HN 0.167 nan 8.150 nan 0.000 0.482 129 R N -2.829 117.334 120.500 -0.562 0.000 2.610 129 R HA 0.310 4.653 4.340 0.005 0.000 0.171 129 R C 1.224 177.000 176.300 -0.874 0.000 0.892 129 R CA 0.449 55.891 56.100 -1.097 0.000 1.086 129 R CB -0.162 28.996 30.300 -1.904 0.000 1.320 129 R HN 0.391 nan 8.270 nan 0.000 0.582 130 F N 1.718 121.233 119.950 -0.725 0.000 2.335 130 F HA 0.138 4.668 4.527 0.005 0.000 0.296 130 F C -1.408 174.222 175.800 -0.283 0.000 1.091 130 F CA -0.346 57.372 58.000 -0.470 0.000 1.399 130 F CB -0.706 37.812 39.000 -0.803 0.000 1.067 130 F HN -0.189 nan 8.300 nan 0.000 0.520 131 P HA 0.094 nan 4.420 nan 0.000 0.262 131 P C 0.648 177.932 177.300 -0.028 0.000 1.199 131 P CA 1.397 64.467 63.100 -0.050 0.000 0.763 131 P CB 0.254 31.920 31.700 -0.057 0.000 0.790 132 G N 3.026 111.828 108.800 0.003 0.000 2.155 132 G HA2 -0.382 3.581 3.960 0.005 0.000 0.257 132 G HA3 -0.382 3.581 3.960 0.005 0.000 0.257 132 G C 1.112 176.015 174.900 0.005 0.000 0.983 132 G CA 0.319 45.422 45.100 0.006 0.000 0.676 132 G HN 0.689 nan 8.290 nan 0.000 0.528 133 C N -1.416 117.895 119.300 0.017 0.000 2.448 133 C HA 0.480 4.943 4.460 0.005 0.000 0.280 133 C C 2.335 177.315 174.990 -0.016 0.000 1.398 133 C CA 1.265 60.291 59.018 0.013 0.000 1.774 133 C CB -0.629 27.149 27.740 0.064 0.000 1.888 133 C HN 0.482 nan 8.230 nan 0.000 0.519 134 M N 0.345 119.946 119.600 0.002 0.000 2.419 134 M HA 0.199 4.683 4.480 0.005 0.000 0.252 134 M C 0.408 176.705 176.300 -0.005 0.000 1.143 134 M CA -0.164 55.131 55.300 -0.008 0.000 0.985 134 M CB -0.178 32.424 32.600 0.003 0.000 1.489 134 M HN 0.076 nan 8.290 nan 0.000 0.484 135 K N 1.351 121.748 120.400 -0.006 0.000 2.504 135 K HA 0.075 4.399 4.320 0.005 0.000 0.278 135 K C 1.137 177.730 176.600 -0.012 0.000 1.025 135 K CA 1.443 57.725 56.287 -0.010 0.000 1.093 135 K CB -0.103 32.391 32.500 -0.010 0.000 0.873 135 K HN 0.478 nan 8.250 nan 0.000 0.483 136 G N 3.195 111.980 108.800 -0.024 0.000 2.168 136 G HA2 -0.322 3.641 3.960 0.005 0.000 0.263 136 G HA3 -0.322 3.641 3.960 0.005 0.000 0.263 136 G C -0.061 174.866 174.900 0.045 0.000 0.977 136 G CA 0.618 45.713 45.100 -0.009 0.000 0.659 136 G HN 0.594 nan 8.290 nan 0.000 0.533 137 R N -0.628 119.898 120.500 0.043 0.000 2.902 137 R HA 0.623 4.966 4.340 0.005 0.000 0.258 137 R C -0.435 175.939 176.300 0.124 0.000 1.071 137 R CA -0.573 55.583 56.100 0.093 0.000 1.024 137 R CB 0.974 31.304 30.300 0.050 0.000 1.184 137 R HN 0.106 nan 8.270 nan 0.000 0.492 138 T N 2.203 116.817 114.554 0.100 0.000 2.817 138 T HA 0.187 4.540 4.350 0.005 0.000 0.293 138 T C 0.082 174.662 174.700 -0.200 0.000 0.964 138 T CA -0.201 61.855 62.100 -0.073 0.000 1.085 138 T CB 0.583 69.202 68.868 -0.415 0.000 0.921 138 T HN 0.324 nan 8.240 nan 0.000 0.502 139 M N 5.102 124.610 119.600 -0.153 0.000 2.077 139 M HA 0.336 4.820 4.480 0.005 0.000 0.348 139 M C -1.462 174.739 176.300 -0.165 0.000 1.252 139 M CA -0.588 54.651 55.300 -0.101 0.000 1.096 139 M CB 0.069 32.629 32.600 -0.067 0.000 1.568 139 M HN 0.560 nan 8.290 nan 0.000 0.456 140 Y N 3.709 124.060 120.300 0.085 0.000 2.319 140 Y HA 0.397 4.951 4.550 0.005 0.000 0.328 140 Y C 0.014 175.976 175.900 0.104 0.000 1.133 140 Y CA -0.556 57.610 58.100 0.109 0.000 1.265 140 Y CB 0.978 39.471 38.460 0.055 0.000 1.218 140 Y HN 0.364 nan 8.280 nan 0.000 0.508 141 V N 5.658 125.724 119.914 0.253 0.000 2.334 141 V HA 0.306 4.429 4.120 0.005 0.000 0.281 141 V C -0.198 176.015 176.094 0.197 0.000 1.016 141 V CA -0.781 61.624 62.300 0.176 0.000 0.832 141 V CB 0.680 32.560 31.823 0.094 0.000 0.999 141 V HN 0.583 nan 8.190 nan 0.000 0.439 142 I N 7.676 128.374 120.570 0.215 0.000 2.307 142 I HA 0.339 4.512 4.170 0.005 0.000 0.287 142 I C -2.460 173.812 176.117 0.259 0.000 1.054 142 I CA -1.883 59.548 61.300 0.218 0.000 1.218 142 I CB 1.684 39.800 38.000 0.194 0.000 1.398 142 I HN 0.401 nan 8.210 nan 0.000 0.475 143 P HA 0.284 nan 4.420 nan 0.000 0.287 143 P C -1.003 176.381 177.300 0.141 0.000 1.281 143 P CA -0.125 63.012 63.100 0.061 0.000 0.781 143 P CB 0.378 32.065 31.700 -0.022 0.000 0.903 144 F N -0.224 119.716 119.950 -0.016 0.000 2.599 144 F HA 0.776 5.306 4.527 0.005 0.000 0.311 144 F C -0.783 175.023 175.800 0.009 0.000 1.076 144 F CA -1.312 56.684 58.000 -0.007 0.000 0.937 144 F CB 1.469 40.467 39.000 -0.003 0.000 1.282 144 F HN 0.171 nan 8.300 nan 0.000 0.460 145 S N 3.667 119.450 115.700 0.138 0.000 2.478 145 S HA 0.664 5.138 4.470 0.005 0.000 0.312 145 S C -0.800 173.912 174.600 0.187 0.000 1.094 145 S CA -0.793 57.454 58.200 0.078 0.000 1.081 145 S CB 0.672 63.889 63.200 0.028 0.000 1.007 145 S HN 0.614 nan 8.310 nan 0.000 0.475 146 M N 4.191 123.930 119.600 0.233 0.000 2.077 146 M HA 0.484 4.967 4.480 0.005 0.000 0.348 146 M C 0.777 177.063 176.300 -0.023 0.000 1.252 146 M CA 0.159 55.547 55.300 0.148 0.000 1.096 146 M CB -0.322 32.470 32.600 0.321 0.000 1.568 146 M HN 1.059 nan 8.290 nan 0.000 0.456 147 G N 5.582 114.304 108.800 -0.130 0.000 2.662 147 G HA2 -0.057 3.906 3.960 0.005 0.000 0.686 147 G HA3 -0.057 3.906 3.960 0.005 0.000 0.686 147 G C -3.296 171.539 174.900 -0.109 0.000 1.271 147 G CA -1.403 43.610 45.100 -0.144 0.000 0.816 147 G HN 0.402 nan 8.290 nan 0.000 0.608 148 P HA 0.192 nan 4.420 nan 0.000 0.267 148 P C 1.750 178.992 177.300 -0.097 0.000 1.201 148 P CA -0.379 62.618 63.100 -0.173 0.000 0.775 148 P CB 0.368 31.936 31.700 -0.221 0.000 0.854 149 L N 1.358 122.532 121.223 -0.083 0.000 2.034 149 L HA -0.276 4.067 4.340 0.005 0.000 0.217 149 L C 2.432 179.274 176.870 -0.046 0.000 1.077 149 L CA 2.450 57.259 54.840 -0.051 0.000 0.769 149 L CB -1.281 40.750 42.059 -0.047 0.000 0.890 149 L HN 0.608 nan 8.230 nan 0.000 0.435 150 G N -1.389 107.376 108.800 -0.059 0.000 2.404 150 G HA2 -0.206 3.757 3.960 0.005 0.000 0.214 150 G HA3 -0.206 3.757 3.960 0.005 0.000 0.214 150 G C 0.814 175.685 174.900 -0.048 0.000 1.189 150 G CA 0.483 45.552 45.100 -0.052 0.000 0.789 150 G HN 0.332 nan 8.290 nan 0.000 0.533 151 S N 1.497 117.159 115.700 -0.063 0.000 3.305 151 S HA -0.048 4.425 4.470 0.005 0.000 0.397 151 S C -0.772 173.797 174.600 -0.051 0.000 1.171 151 S CA 0.075 58.238 58.200 -0.062 0.000 0.935 151 S CB 0.690 63.851 63.200 -0.065 0.000 0.642 151 S HN 0.076 nan 8.310 nan 0.000 0.479 152 P HA -0.113 nan 4.420 nan 0.000 0.218 152 P C 0.878 178.109 177.300 -0.115 0.000 1.146 152 P CA 0.862 63.912 63.100 -0.084 0.000 0.813 152 P CB 0.067 31.711 31.700 -0.094 0.000 0.778 153 L N -2.511 118.657 121.223 -0.091 0.000 2.567 153 L HA 0.242 4.585 4.340 0.005 0.000 0.225 153 L C 1.194 178.124 176.870 0.100 0.000 1.119 153 L CA -0.457 54.319 54.840 -0.106 0.000 0.871 153 L CB -1.980 40.062 42.059 -0.028 0.000 1.036 153 L HN -0.171 nan 8.230 nan 0.000 0.459 154 A N 0.760 123.647 122.820 0.112 0.000 2.340 154 A HA 0.536 4.859 4.320 0.005 0.000 0.268 154 A C 0.371 178.104 177.584 0.248 0.000 1.100 154 A CA -0.190 51.981 52.037 0.223 0.000 0.803 154 A CB 0.581 19.629 19.000 0.080 0.000 1.043 154 A HN 0.118 nan 8.150 nan 0.000 0.488 155 K N 1.756 122.396 120.400 0.400 0.000 2.468 155 K HA 0.509 4.832 4.320 0.005 0.000 0.252 155 K C -1.397 175.353 176.600 0.250 0.000 0.932 155 K CA -0.297 56.216 56.287 0.376 0.000 0.794 155 K CB 2.248 35.138 32.500 0.650 0.000 1.241 155 K HN 0.643 nan 8.250 nan 0.000 0.428 156 I N 1.076 121.675 120.570 0.049 0.000 2.392 156 I HA 0.386 4.559 4.170 0.005 0.000 0.295 156 I C 0.664 176.523 176.117 -0.430 0.000 0.985 156 I CA -0.401 60.788 61.300 -0.184 0.000 1.221 156 I CB 1.867 39.794 38.000 -0.122 0.000 1.366 156 I HN 0.645 nan 8.210 nan 0.000 0.467 157 G N 6.123 114.305 108.800 -1.030 0.000 2.537 157 G HA2 0.711 4.674 3.960 0.005 0.000 0.308 157 G HA3 0.711 4.674 3.960 0.005 0.000 0.308 157 G C -1.077 173.321 174.900 -0.837 0.000 1.237 157 G CA -0.424 43.996 45.100 -1.133 0.000 0.968 157 G HN 0.289 nan 8.290 nan 0.000 0.481 158 I N 0.810 121.264 120.570 -0.192 0.000 2.389 158 I HA 0.366 4.539 4.170 0.005 0.000 0.288 158 I C -0.185 176.194 176.117 0.436 0.000 0.999 158 I CA -0.927 60.425 61.300 0.088 0.000 1.129 158 I CB 1.442 39.472 38.000 0.050 0.000 1.288 158 I HN 0.653 nan 8.210 nan 0.000 0.444 159 E N 7.112 127.628 120.200 0.527 0.000 2.166 159 E HA 0.599 4.952 4.350 0.005 0.000 0.275 159 E C -1.527 175.269 176.600 0.327 0.000 0.941 159 E CA -0.604 56.060 56.400 0.441 0.000 0.784 159 E CB 1.497 31.368 29.700 0.286 0.000 1.115 159 E HN 0.496 nan 8.360 nan 0.000 0.399 160 L N 3.652 125.053 121.223 0.296 0.000 2.307 160 L HA 0.521 4.865 4.340 0.005 0.000 0.284 160 L C 0.058 177.065 176.870 0.228 0.000 1.023 160 L CA -0.618 54.328 54.840 0.177 0.000 0.810 160 L CB 1.856 43.914 42.059 -0.001 0.000 1.231 160 L HN 0.543 nan 8.230 nan 0.000 0.423 161 T N -0.673 114.026 114.554 0.241 0.000 2.900 161 T HA 0.267 4.620 4.350 0.005 0.000 0.303 161 T C -0.412 174.456 174.700 0.280 0.000 1.142 161 T CA -0.605 61.673 62.100 0.296 0.000 1.007 161 T CB 1.538 70.601 68.868 0.324 0.000 1.156 161 T HN 0.727 nan 8.240 nan 0.000 0.490 162 D N 1.245 121.765 120.400 0.200 0.000 2.342 162 D HA 0.207 4.850 4.640 0.005 0.000 0.221 162 D C 0.384 176.812 176.300 0.213 0.000 1.101 162 D CA -0.146 53.963 54.000 0.182 0.000 0.837 162 D CB 0.225 41.051 40.800 0.042 0.000 0.938 162 D HN 0.230 nan 8.370 nan 0.000 0.508 163 S N 0.943 116.765 115.700 0.204 0.000 2.498 163 S HA 0.363 4.837 4.470 0.005 0.000 0.324 163 S C -1.838 172.718 174.600 -0.074 0.000 1.071 163 S CA -1.564 56.679 58.200 0.072 0.000 1.113 163 S CB 1.510 64.764 63.200 0.090 0.000 0.976 163 S HN -0.214 nan 8.310 nan 0.000 0.462 164 P HA -0.106 nan 4.420 nan 0.000 0.218 164 P C 1.064 178.239 177.300 -0.209 0.000 1.149 164 P CA 0.852 63.706 63.100 -0.409 0.000 0.817 164 P CB -0.127 31.430 31.700 -0.238 0.000 0.785 165 Y N 0.840 121.026 120.300 -0.189 0.000 2.207 165 Y HA -0.198 4.355 4.550 0.006 0.000 0.287 165 Y C 2.077 177.917 175.900 -0.100 0.000 1.156 165 Y CA 1.343 59.383 58.100 -0.100 0.000 1.182 165 Y CB -0.890 37.554 38.460 -0.027 0.000 0.979 165 Y HN -0.290 nan 8.280 nan 0.000 0.521 166 V N -0.897 118.987 119.914 -0.051 0.000 2.358 166 V HA -0.289 3.834 4.120 0.005 0.000 0.246 166 V C 2.334 178.292 176.094 -0.228 0.000 1.047 166 V CA 1.612 63.814 62.300 -0.162 0.000 1.035 166 V CB -0.730 31.033 31.823 -0.100 0.000 0.658 166 V HN 0.360 nan 8.190 nan 0.000 0.452 167 V N 0.464 120.240 119.914 -0.230 0.000 2.255 167 V HA -0.300 3.823 4.120 0.005 0.000 0.247 167 V C 2.720 178.709 176.094 -0.174 0.000 1.051 167 V CA 2.270 64.433 62.300 -0.229 0.000 1.018 167 V CB -1.225 30.354 31.823 -0.406 0.000 0.641 167 V HN 0.564 nan 8.190 nan 0.000 0.445 168 A N -0.428 122.287 122.820 -0.175 0.000 1.877 168 A HA -0.205 4.118 4.320 0.005 0.000 0.216 168 A C 2.481 180.006 177.584 -0.099 0.000 1.186 168 A CA 2.274 54.302 52.037 -0.015 0.000 0.620 168 A CB -0.794 18.160 19.000 -0.077 0.000 0.822 168 A HN 0.508 nan 8.150 nan 0.000 0.443 169 S N -0.346 115.182 115.700 -0.286 0.000 2.382 169 S HA -0.138 4.336 4.470 0.005 0.000 0.228 169 S C 1.987 176.435 174.600 -0.254 0.000 1.027 169 S CA 1.618 59.631 58.200 -0.313 0.000 0.991 169 S CB -0.316 62.576 63.200 -0.513 0.000 0.823 169 S HN 0.473 nan 8.310 nan 0.000 0.469 170 M N 0.895 120.343 119.600 -0.254 0.000 2.229 170 M HA 0.009 4.492 4.480 0.005 0.000 0.264 170 M C 2.174 178.369 176.300 -0.176 0.000 1.063 170 M CA 1.030 56.184 55.300 -0.243 0.000 1.114 170 M CB -0.995 31.449 32.600 -0.260 0.000 1.387 170 M HN 0.280 nan 8.290 nan 0.000 0.420 171 R N 0.585 120.988 120.500 -0.160 0.000 2.127 171 R HA -0.110 4.234 4.340 0.005 0.000 0.238 171 R C 1.926 178.111 176.300 -0.191 0.000 1.134 171 R CA 1.271 57.267 56.100 -0.174 0.000 0.975 171 R CB -0.097 30.049 30.300 -0.257 0.000 0.865 171 R HN 0.329 nan 8.270 nan 0.000 0.447 172 I N -0.253 120.205 120.570 -0.185 0.000 2.400 172 I HA -0.175 3.998 4.170 0.005 0.000 0.248 172 I C 1.876 177.918 176.117 -0.124 0.000 1.109 172 I CA 0.653 61.862 61.300 -0.153 0.000 1.425 172 I CB -0.007 37.927 38.000 -0.111 0.000 1.094 172 I HN 0.157 nan 8.210 nan 0.000 0.425 173 M N 0.185 119.703 119.600 -0.136 0.000 2.541 173 M HA 0.103 4.586 4.480 0.005 0.000 0.252 173 M C 0.927 177.169 176.300 -0.098 0.000 1.125 173 M CA 0.636 55.861 55.300 -0.125 0.000 1.091 173 M CB -0.909 31.585 32.600 -0.177 0.000 1.420 173 M HN 0.310 nan 8.290 nan 0.000 0.486 174 T N -1.516 112.987 114.554 -0.085 0.000 2.864 174 T HA 0.653 5.006 4.350 0.005 0.000 0.289 174 T C -0.457 174.251 174.700 0.013 0.000 1.082 174 T CA -0.979 61.115 62.100 -0.010 0.000 1.009 174 T CB 2.126 71.004 68.868 0.018 0.000 1.234 174 T HN 0.032 nan 8.240 nan 0.000 0.526 175 R N 1.175 121.707 120.500 0.053 0.000 2.216 175 R HA 0.553 4.896 4.340 0.005 0.000 0.332 175 R C -0.189 176.154 176.300 0.071 0.000 1.056 175 R CA -0.329 55.791 56.100 0.034 0.000 0.901 175 R CB 0.597 30.902 30.300 0.008 0.000 1.039 175 R HN 0.542 nan 8.270 nan 0.000 0.456 176 M N 2.666 122.290 119.600 0.040 0.000 2.259 176 M HA 0.571 5.054 4.480 0.005 0.000 0.304 176 M C -0.260 176.063 176.300 0.038 0.000 1.019 176 M CA -0.019 55.319 55.300 0.064 0.000 0.922 176 M CB 1.686 34.303 32.600 0.029 0.000 1.600 176 M HN 0.774 nan 8.290 nan 0.000 0.433 177 G N 2.613 111.442 108.800 0.048 0.000 2.288 177 G HA2 -0.090 3.873 3.960 0.005 0.000 0.227 177 G HA3 -0.090 3.873 3.960 0.005 0.000 0.227 177 G C 0.049 174.960 174.900 0.018 0.000 1.339 177 G CA 0.055 45.178 45.100 0.037 0.000 1.057 177 G HN 0.475 nan 8.290 nan 0.000 0.470 178 T N 1.229 115.790 114.554 0.011 0.000 2.746 178 T HA -0.099 4.254 4.350 0.005 0.000 0.267 178 T C 2.864 177.557 174.700 -0.011 0.000 1.039 178 T CA 3.156 65.255 62.100 -0.002 0.000 1.142 178 T CB -0.595 68.272 68.868 -0.001 0.000 0.866 178 T HN 1.388 nan 8.240 nan 0.000 0.444 179 S N 1.312 117.007 115.700 -0.008 0.000 2.419 179 S HA -0.099 4.374 4.470 0.005 0.000 0.235 179 S C 2.110 176.697 174.600 -0.021 0.000 1.019 179 S CA 0.996 59.188 58.200 -0.014 0.000 0.982 179 S CB -0.880 62.313 63.200 -0.013 0.000 0.789 179 S HN 0.331 nan 8.310 nan 0.000 0.490 180 V N 1.983 121.884 119.914 -0.021 0.000 2.358 180 V HA -0.068 4.055 4.120 0.005 0.000 0.246 180 V C 2.559 178.618 176.094 -0.058 0.000 1.047 180 V CA 1.620 63.898 62.300 -0.037 0.000 1.035 180 V CB -0.862 30.942 31.823 -0.031 0.000 0.658 180 V HN 0.466 nan 8.190 nan 0.000 0.452 181 L N -0.279 120.910 121.223 -0.058 0.000 2.046 181 L HA -0.188 4.155 4.340 0.005 0.000 0.208 181 L C 2.590 179.428 176.870 -0.053 0.000 1.077 181 L CA 1.678 56.475 54.840 -0.073 0.000 0.747 181 L CB -0.603 41.418 42.059 -0.063 0.000 0.896 181 L HN 0.379 nan 8.230 nan 0.000 0.432 182 E N 0.099 120.277 120.200 -0.037 0.000 2.110 182 E HA -0.194 4.159 4.350 0.005 0.000 0.193 182 E C 2.252 178.835 176.600 -0.027 0.000 0.988 182 E CA 1.127 57.510 56.400 -0.028 0.000 0.804 182 E CB -0.132 29.555 29.700 -0.021 0.000 0.745 182 E HN 0.495 nan 8.360 nan 0.000 0.458 183 A N 0.766 123.568 122.820 -0.030 0.000 2.014 183 A HA -0.081 4.242 4.320 0.005 0.000 0.218 183 A C 2.072 179.640 177.584 -0.027 0.000 1.163 183 A CA 0.612 52.633 52.037 -0.027 0.000 0.652 183 A CB -0.235 18.748 19.000 -0.028 0.000 0.808 183 A HN 0.211 nan 8.150 nan 0.000 0.449 184 L N -0.936 120.263 121.223 -0.039 0.000 2.068 184 L HA 0.272 4.615 4.340 0.005 0.000 0.204 184 L C 1.695 178.556 176.870 -0.015 0.000 1.076 184 L CA 1.894 56.714 54.840 -0.034 0.000 0.753 184 L CB -0.954 41.056 42.059 -0.080 0.000 0.910 184 L HN 0.660 nan 8.230 nan 0.000 0.439 185 G N -0.477 108.309 108.800 -0.024 0.000 2.611 185 G HA2 -0.387 3.576 3.960 0.005 0.000 0.301 185 G HA3 -0.387 3.576 3.960 0.005 0.000 0.301 185 G C 0.401 175.304 174.900 0.005 0.000 1.233 185 G CA 0.425 45.518 45.100 -0.011 0.000 0.993 185 G HN 0.394 nan 8.290 nan 0.000 0.553 186 D N 2.444 122.856 120.400 0.020 0.000 2.460 186 D HA 0.371 5.014 4.640 0.005 0.000 0.229 186 D C 1.278 177.614 176.300 0.059 0.000 1.170 186 D CA 0.875 54.900 54.000 0.042 0.000 0.827 186 D CB -0.249 40.569 40.800 0.031 0.000 0.973 186 D HN 0.660 nan 8.370 nan 0.000 0.496 187 G N 0.257 109.094 108.800 0.062 0.000 2.580 187 G HA2 0.145 4.108 3.960 0.005 0.000 0.278 187 G HA3 0.145 4.108 3.960 0.005 0.000 0.278 187 G C -0.000 174.973 174.900 0.123 0.000 1.212 187 G CA -0.443 44.697 45.100 0.066 0.000 0.939 187 G HN 0.063 nan 8.290 nan 0.000 0.513 188 E N -0.989 119.253 120.200 0.070 0.000 2.366 188 E HA 0.462 4.816 4.350 0.005 0.000 0.266 188 E C -0.853 175.802 176.600 0.091 0.000 1.051 188 E CA -0.448 55.963 56.400 0.018 0.000 0.884 188 E CB 0.520 30.194 29.700 -0.045 0.000 1.006 188 E HN 0.322 nan 8.360 nan 0.000 0.417 189 F N 1.866 121.735 119.950 -0.136 0.000 2.631 189 F HA 0.463 4.993 4.527 0.005 0.000 0.308 189 F C -1.216 174.422 175.800 -0.271 0.000 1.097 189 F CA -1.482 56.389 58.000 -0.214 0.000 0.952 189 F CB 0.384 39.233 39.000 -0.250 0.000 1.307 189 F HN 0.286 nan 8.300 nan 0.000 0.450 190 I N 2.815 123.223 120.570 -0.270 0.000 2.416 190 I HA 0.268 4.441 4.170 0.005 0.000 0.288 190 I C -0.401 175.548 176.117 -0.280 0.000 1.051 190 I CA -0.139 60.941 61.300 -0.366 0.000 1.375 190 I CB 0.653 38.265 38.000 -0.647 0.000 1.407 190 I HN 0.569 nan 8.210 nan 0.000 0.516 191 K N 6.952 127.103 120.400 -0.414 0.000 2.285 191 K HA 0.383 4.706 4.320 0.005 0.000 0.286 191 K C -1.164 175.374 176.600 -0.104 0.000 1.072 191 K CA -0.390 55.537 56.287 -0.600 0.000 0.913 191 K CB 0.427 32.366 32.500 -0.935 0.000 1.067 191 K HN 0.532 nan 8.250 nan 0.000 0.479 192 C N 4.135 123.564 119.300 0.215 0.000 2.369 192 C HA 0.476 4.940 4.460 0.005 0.000 0.322 192 C C -0.817 174.458 174.990 0.474 0.000 1.258 192 C CA -1.077 58.136 59.018 0.325 0.000 1.487 192 C CB 0.263 28.196 27.740 0.322 0.000 2.165 192 C HN 0.689 nan 8.230 nan 0.000 0.483 193 L N 4.527 125.979 121.223 0.382 0.000 2.356 193 L HA 0.616 4.959 4.340 0.005 0.000 0.277 193 L C -0.566 176.546 176.870 0.403 0.000 0.996 193 L CA 0.177 55.221 54.840 0.339 0.000 0.822 193 L CB 0.744 42.925 42.059 0.204 0.000 1.256 193 L HN 0.850 nan 8.230 nan 0.000 0.413 194 H N 3.328 122.573 119.070 0.292 0.000 2.679 194 H HA 0.665 5.225 4.556 0.005 0.000 0.360 194 H C -1.829 173.655 175.328 0.261 0.000 1.105 194 H CA -0.383 55.839 56.048 0.291 0.000 1.196 194 H CB 2.094 31.960 29.762 0.172 0.000 1.636 194 H HN 0.675 nan 8.280 nan 0.000 0.531 195 S N 3.199 118.575 115.700 -0.539 0.000 2.540 195 S HA 0.203 4.677 4.470 0.005 0.000 0.275 195 S C 1.005 175.008 174.600 -0.996 0.000 1.123 195 S CA -0.233 57.585 58.200 -0.637 0.000 0.907 195 S CB 1.225 64.220 63.200 -0.341 0.000 1.081 195 S HN 0.571 nan 8.310 nan 0.000 0.476 196 V N 2.008 121.501 119.914 -0.702 0.000 3.141 196 V HA 0.347 4.471 4.120 0.005 0.000 0.265 196 V C 1.475 177.153 176.094 -0.693 0.000 1.126 196 V CA 1.240 63.204 62.300 -0.559 0.000 1.141 196 V CB -1.260 30.346 31.823 -0.361 0.000 0.743 196 V HN 1.901 nan 8.190 nan 0.000 0.492 197 G N -0.770 107.509 108.800 -0.867 0.000 2.149 197 G HA2 -0.236 3.727 3.960 0.005 0.000 0.235 197 G HA3 -0.236 3.727 3.960 0.005 0.000 0.235 197 G C 0.019 174.703 174.900 -0.360 0.000 1.018 197 G CA -0.017 44.484 45.100 -0.998 0.000 0.728 197 G HN 0.814 nan 8.290 nan 0.000 0.508 198 C N 2.314 121.455 119.300 -0.265 0.000 3.273 198 C HA 0.430 4.893 4.460 0.005 0.000 0.227 198 C C -1.303 173.629 174.990 -0.096 0.000 1.409 198 C CA -1.473 57.458 59.018 -0.145 0.000 1.516 198 C CB 0.242 27.896 27.740 -0.143 0.000 1.853 198 C HN 0.510 nan 8.230 nan 0.000 0.472 199 P HA 0.121 nan 4.420 nan 0.000 0.267 199 P C -0.621 176.662 177.300 -0.029 0.000 1.200 199 P CA 0.503 63.578 63.100 -0.041 0.000 0.772 199 P CB 0.999 32.683 31.700 -0.026 0.000 0.855 200 L N 4.072 125.284 121.223 -0.018 0.000 2.334 200 L HA 0.377 4.720 4.340 0.005 0.000 0.277 200 L C -1.593 175.272 176.870 -0.009 0.000 1.075 200 L CA -2.122 52.713 54.840 -0.009 0.000 0.804 200 L CB 0.434 42.495 42.059 0.002 0.000 1.174 200 L HN 0.289 nan 8.230 nan 0.000 0.438 201 P HA 0.159 nan 4.420 nan 0.000 0.275 201 P C -0.587 176.708 177.300 -0.008 0.000 1.228 201 P CA -0.479 62.618 63.100 -0.004 0.000 0.786 201 P CB 0.698 32.397 31.700 -0.002 0.000 0.927 202 L N 2.876 124.094 121.223 -0.008 0.000 2.584 202 L HA -0.014 4.329 4.340 0.005 0.000 0.272 202 L C 1.787 178.652 176.870 -0.008 0.000 1.195 202 L CA 0.437 55.270 54.840 -0.011 0.000 0.920 202 L CB -0.040 42.013 42.059 -0.009 0.000 1.173 202 L HN 0.445 nan 8.230 nan 0.000 0.489 203 K N 2.238 122.632 120.400 -0.010 0.000 2.262 203 K HA 0.082 4.405 4.320 0.005 0.000 0.200 203 K C 0.153 176.751 176.600 -0.003 0.000 1.049 203 K CA 0.594 56.877 56.287 -0.006 0.000 0.979 203 K CB 0.382 32.879 32.500 -0.006 0.000 0.773 203 K HN 0.438 nan 8.250 nan 0.000 0.474 204 K N 1.211 121.609 120.400 -0.003 0.000 2.208 204 K HA 0.359 4.682 4.320 0.005 0.000 0.247 204 K C -2.690 173.913 176.600 0.004 0.000 0.953 204 K CA -2.266 54.022 56.287 0.002 0.000 0.837 204 K CB 0.983 33.485 32.500 0.004 0.000 1.131 204 K HN -0.202 nan 8.250 nan 0.000 0.431 205 P HA 0.093 nan 4.420 nan 0.000 0.267 205 P C -0.517 176.794 177.300 0.018 0.000 1.205 205 P CA -0.499 62.608 63.100 0.012 0.000 0.765 205 P CB 0.309 32.017 31.700 0.013 0.000 0.828 206 L N 5.147 126.382 121.223 0.019 0.000 2.360 206 L HA 0.180 4.523 4.340 0.005 0.000 0.276 206 L C -0.572 176.326 176.870 0.048 0.000 1.121 206 L CA -0.020 54.839 54.840 0.031 0.000 0.845 206 L CB 0.688 42.761 42.059 0.022 0.000 1.143 206 L HN 0.086 nan 8.230 nan 0.000 0.452 207 V N 6.059 126.017 119.914 0.073 0.000 2.370 207 V HA 0.277 4.400 4.120 0.005 0.000 0.279 207 V C 0.422 176.577 176.094 0.102 0.000 1.029 207 V CA -0.502 61.841 62.300 0.071 0.000 0.870 207 V CB 0.727 32.588 31.823 0.063 0.000 0.984 207 V HN 0.990 nan 8.190 nan 0.000 0.451 208 N N 4.626 123.367 118.700 0.068 0.000 2.721 208 N HA -0.226 4.517 4.740 0.005 0.000 0.249 208 N C 0.426 176.018 175.510 0.136 0.000 1.072 208 N CA 0.606 53.702 53.050 0.076 0.000 0.710 208 N CB -1.052 37.460 38.487 0.042 0.000 0.993 208 N HN 0.854 nan 8.380 nan 0.000 0.547 209 N N -2.152 116.619 118.700 0.118 0.000 2.725 209 N HA -0.217 4.526 4.740 0.005 0.000 0.249 209 N C -1.159 174.458 175.510 0.178 0.000 1.103 209 N CA 1.278 54.397 53.050 0.114 0.000 0.707 209 N CB -0.739 37.803 38.487 0.092 0.000 1.043 209 N HN 0.625 nan 8.380 nan 0.000 0.553 210 W N 1.177 122.467 121.300 -0.017 0.000 2.338 210 W HA 0.562 5.224 4.660 0.005 0.000 0.315 210 W C -0.379 176.123 176.519 -0.028 0.000 1.005 210 W CA -0.715 56.613 57.345 -0.030 0.000 1.380 210 W CB 0.703 30.150 29.460 -0.021 0.000 1.235 210 W HN 0.079 nan 8.180 nan 0.000 0.409 211 A N 5.539 128.140 122.820 -0.366 0.000 2.491 211 A HA 0.485 4.808 4.320 0.005 0.000 0.261 211 A C -0.056 177.290 177.584 -0.396 0.000 1.101 211 A CA 0.535 52.385 52.037 -0.311 0.000 0.772 211 A CB -0.414 18.414 19.000 -0.286 0.000 1.043 211 A HN 0.868 nan 8.150 nan 0.000 0.501 212 C N 1.181 120.373 119.300 -0.179 0.000 3.275 212 C HA 0.758 5.221 4.460 0.005 0.000 0.340 212 C C -0.916 174.026 174.990 -0.081 0.000 1.366 212 C CA -0.987 57.964 59.018 -0.111 0.000 1.227 212 C CB 1.568 29.364 27.740 0.094 0.000 1.512 212 C HN 0.795 nan 8.230 nan 0.000 0.461 213 N N 1.031 119.680 118.700 -0.085 0.000 2.707 213 N HA 0.402 5.145 4.740 0.005 0.000 0.249 213 N C -2.229 173.300 175.510 0.030 0.000 1.299 213 N CA -1.278 51.749 53.050 -0.039 0.000 0.769 213 N CB 1.546 39.978 38.487 -0.091 0.000 1.236 213 N HN 0.480 nan 8.380 nan 0.000 0.524 214 P HA -0.081 nan 4.420 nan 0.000 0.215 214 P C 0.701 178.044 177.300 0.072 0.000 1.157 214 P CA 1.357 64.498 63.100 0.069 0.000 0.868 214 P CB 0.582 32.320 31.700 0.064 0.000 0.788 215 E N -0.828 119.409 120.200 0.062 0.000 2.160 215 E HA -0.103 4.250 4.350 0.005 0.000 0.195 215 E C 1.565 178.210 176.600 0.074 0.000 0.991 215 E CA 0.908 57.343 56.400 0.058 0.000 0.810 215 E CB -0.667 29.059 29.700 0.044 0.000 0.742 215 E HN 0.262 nan 8.360 nan 0.000 0.466 216 L N 0.391 121.681 121.223 0.111 0.000 2.640 216 L HA 0.148 4.491 4.340 0.005 0.000 0.230 216 L C 0.216 177.229 176.870 0.238 0.000 1.123 216 L CA -0.251 54.681 54.840 0.153 0.000 0.900 216 L CB 0.173 42.357 42.059 0.209 0.000 1.146 216 L HN -0.069 nan 8.230 nan 0.000 0.484 217 T N 2.285 116.953 114.554 0.190 0.000 2.905 217 T HA 0.189 4.542 4.350 0.005 0.000 0.299 217 T C -0.389 174.438 174.700 0.211 0.000 1.024 217 T CA 0.691 62.910 62.100 0.200 0.000 1.151 217 T CB 0.653 69.606 68.868 0.142 0.000 0.987 217 T HN -0.022 nan 8.240 nan 0.000 0.535 218 L N 5.028 126.411 121.223 0.268 0.000 2.614 218 L HA 0.532 4.875 4.340 0.005 0.000 0.264 218 L C -1.774 175.280 176.870 0.308 0.000 0.940 218 L CA -0.394 54.608 54.840 0.269 0.000 0.903 218 L CB 1.547 43.775 42.059 0.281 0.000 1.306 218 L HN 0.510 nan 8.230 nan 0.000 0.410 219 I N 5.095 125.816 120.570 0.251 0.000 2.405 219 I HA 0.775 4.948 4.170 0.005 0.000 0.280 219 I C 0.167 176.345 176.117 0.101 0.000 1.027 219 I CA -0.064 61.357 61.300 0.203 0.000 1.161 219 I CB 1.545 39.679 38.000 0.223 0.000 1.300 219 I HN 0.679 nan 8.210 nan 0.000 0.463 220 A N 4.987 127.794 122.820 -0.021 0.000 2.340 220 A HA 0.888 5.211 4.320 0.005 0.000 0.331 220 A C -1.088 176.228 177.584 -0.445 0.000 1.140 220 A CA -0.516 51.432 52.037 -0.149 0.000 0.801 220 A CB 0.564 19.431 19.000 -0.221 0.000 1.234 220 A HN 0.689 nan 8.150 nan 0.000 0.469 221 H N 0.242 119.257 119.070 -0.093 0.000 2.667 221 H HA 0.588 5.147 4.556 0.005 0.000 0.353 221 H C -1.393 173.870 175.328 -0.109 0.000 1.072 221 H CA -0.431 55.598 56.048 -0.032 0.000 1.214 221 H CB 1.400 31.198 29.762 0.060 0.000 1.600 221 H HN 0.381 nan 8.280 nan 0.000 0.527 222 L N 5.189 126.404 121.223 -0.013 0.000 2.495 222 L HA 0.290 4.633 4.340 0.005 0.000 0.248 222 L C -1.769 175.099 176.870 -0.003 0.000 1.229 222 L CA -1.165 53.635 54.840 -0.066 0.000 0.942 222 L CB 1.521 43.480 42.059 -0.167 0.000 1.242 222 L HN 0.529 nan 8.230 nan 0.000 0.484 223 P HA -0.120 nan 4.420 nan 0.000 0.218 223 P C 0.542 177.844 177.300 0.004 0.000 1.149 223 P CA 1.148 64.274 63.100 0.044 0.000 0.817 223 P CB 0.472 32.204 31.700 0.054 0.000 0.785 224 D N 0.132 120.529 120.400 -0.005 0.000 2.117 224 D HA -0.124 4.519 4.640 0.005 0.000 0.197 224 D C 1.983 178.259 176.300 -0.041 0.000 0.987 224 D CA 1.060 55.047 54.000 -0.021 0.000 0.829 224 D CB -0.547 40.247 40.800 -0.011 0.000 0.961 224 D HN 0.247 nan 8.370 nan 0.000 0.460 225 R N -0.083 120.387 120.500 -0.051 0.000 2.299 225 R HA 0.162 4.505 4.340 0.005 0.000 0.197 225 R C 0.162 176.397 176.300 -0.110 0.000 0.971 225 R CA -0.127 55.925 56.100 -0.080 0.000 1.030 225 R CB 0.192 30.441 30.300 -0.084 0.000 0.932 225 R HN -0.067 nan 8.270 nan 0.000 0.477 226 R N 1.282 121.735 120.500 -0.078 0.000 3.416 226 R HA -0.181 4.162 4.340 0.005 0.000 0.263 226 R C -1.254 174.976 176.300 -0.118 0.000 1.053 226 R CA 0.853 56.906 56.100 -0.080 0.000 0.705 226 R CB -1.515 28.700 30.300 -0.142 0.000 1.124 226 R HN 0.386 nan 8.270 nan 0.000 0.444 227 E N -0.168 119.990 120.200 -0.071 0.000 2.238 227 E HA 0.552 4.906 4.350 0.005 0.000 0.267 227 E C -0.327 176.270 176.600 -0.006 0.000 0.887 227 E CA -0.881 55.480 56.400 -0.065 0.000 0.769 227 E CB 1.965 31.620 29.700 -0.076 0.000 1.187 227 E HN 0.114 nan 8.360 nan 0.000 0.416 228 I N 3.402 123.992 120.570 0.034 0.000 2.436 228 I HA 0.434 4.607 4.170 0.005 0.000 0.289 228 I C -0.706 175.456 176.117 0.074 0.000 1.010 228 I CA -0.614 60.699 61.300 0.020 0.000 1.098 228 I CB 1.350 39.407 38.000 0.096 0.000 1.266 228 I HN 0.349 nan 8.210 nan 0.000 0.434 229 I N 4.883 125.486 120.570 0.055 0.000 2.468 229 I HA 0.296 4.469 4.170 0.005 0.000 0.285 229 I C -0.474 175.860 176.117 0.361 0.000 1.039 229 I CA -0.213 61.223 61.300 0.227 0.000 1.074 229 I CB 1.964 40.139 38.000 0.290 0.000 1.228 229 I HN 0.451 nan 8.210 nan 0.000 0.436 230 S N 6.773 122.769 115.700 0.494 0.000 2.647 230 S HA 0.651 5.125 4.470 0.005 0.000 0.300 230 S C -1.354 173.592 174.600 0.577 0.000 1.129 230 S CA -0.367 58.130 58.200 0.494 0.000 1.029 230 S CB 0.896 64.334 63.200 0.396 0.000 1.007 230 S HN 0.396 nan 8.310 nan 0.000 0.484 231 F N 3.684 123.788 119.950 0.258 0.000 2.540 231 F HA 0.660 5.190 4.527 0.006 0.000 0.317 231 F C 0.950 176.729 175.800 -0.035 0.000 1.104 231 F CA 0.584 58.550 58.000 -0.057 0.000 0.913 231 F CB 1.745 40.584 39.000 -0.269 0.000 1.170 231 F HN 0.842 nan 8.300 nan 0.000 0.450 232 G N 2.608 111.045 108.800 -0.605 0.000 2.217 232 G HA2 -0.208 3.756 3.960 0.005 0.000 0.246 232 G HA3 -0.208 3.756 3.960 0.005 0.000 0.246 232 G C -0.063 174.788 174.900 -0.082 0.000 0.990 232 G CA 0.174 45.058 45.100 -0.361 0.000 0.627 232 G HN 0.976 nan 8.290 nan 0.000 0.522 233 S N -0.343 115.398 115.700 0.067 0.000 2.500 233 S HA 0.644 5.117 4.470 0.005 0.000 0.301 233 S C 1.194 175.986 174.600 0.321 0.000 1.092 233 S CA 0.722 59.048 58.200 0.211 0.000 1.030 233 S CB 1.504 64.853 63.200 0.248 0.000 1.031 233 S HN 1.252 nan 8.310 nan 0.000 0.483 234 G N 2.404 111.393 108.800 0.315 0.000 2.887 234 G HA2 0.102 4.065 3.960 0.005 0.000 0.211 234 G HA3 0.102 4.065 3.960 0.005 0.000 0.211 234 G C 0.040 175.233 174.900 0.489 0.000 1.152 234 G CA -0.019 45.249 45.100 0.280 0.000 0.769 234 G HN 0.674 nan 8.290 nan 0.000 0.541 235 Y N 1.922 122.466 120.300 0.406 0.000 2.511 235 Y HA 0.344 4.897 4.550 0.006 0.000 0.332 235 Y C 1.824 177.869 175.900 0.242 0.000 1.177 235 Y CA 0.336 58.631 58.100 0.326 0.000 1.422 235 Y CB 1.189 39.765 38.460 0.193 0.000 1.271 235 Y HN 0.096 nan 8.280 nan 0.000 0.550 236 G N 3.740 112.486 108.800 -0.090 0.000 2.853 236 G HA2 -0.445 3.518 3.960 0.005 0.000 0.234 236 G HA3 -0.445 3.518 3.960 0.005 0.000 0.234 236 G C 1.707 176.502 174.900 -0.174 0.000 1.198 236 G CA 1.287 46.219 45.100 -0.279 0.000 0.767 236 G HN 1.034 nan 8.290 nan 0.000 0.657 237 G N 0.337 109.184 108.800 0.078 0.000 2.462 237 G HA2 -0.222 3.742 3.960 0.005 0.000 0.220 237 G HA3 -0.222 3.742 3.960 0.005 0.000 0.220 237 G C 1.651 176.638 174.900 0.146 0.000 1.121 237 G CA 1.346 46.523 45.100 0.127 0.000 0.758 237 G HN 0.509 nan 8.290 nan 0.000 0.559 238 N N 0.140 118.945 118.700 0.175 0.000 2.415 238 N HA -0.018 4.725 4.740 0.005 0.000 0.176 238 N C 2.240 177.809 175.510 0.099 0.000 1.042 238 N CA 1.291 54.449 53.050 0.180 0.000 0.902 238 N CB 0.308 38.935 38.487 0.233 0.000 0.986 238 N HN 0.498 nan 8.380 nan 0.000 0.447 239 S N -0.683 114.995 115.700 -0.037 0.000 2.554 239 S HA 0.245 4.718 4.470 0.005 0.000 0.227 239 S C 0.585 174.994 174.600 -0.318 0.000 1.050 239 S CA -0.390 57.610 58.200 -0.333 0.000 0.927 239 S CB 0.042 62.992 63.200 -0.416 0.000 0.859 239 S HN 0.007 nan 8.310 nan 0.000 0.494 240 L N 3.203 124.281 121.223 -0.241 0.000 2.375 240 L HA 0.397 4.740 4.340 0.005 0.000 0.276 240 L C 0.804 177.553 176.870 -0.201 0.000 1.162 240 L CA -0.303 54.364 54.840 -0.289 0.000 0.991 240 L CB 0.379 42.203 42.059 -0.391 0.000 1.315 240 L HN 0.241 nan 8.230 nan 0.000 0.431 241 L N 1.808 122.928 121.223 -0.172 0.000 2.291 241 L HA -0.039 4.304 4.340 0.005 0.000 0.214 241 L C 2.415 179.334 176.870 0.081 0.000 1.120 241 L CA 0.928 55.765 54.840 -0.004 0.000 0.799 241 L CB -0.368 41.742 42.059 0.084 0.000 0.925 241 L HN 0.770 nan 8.230 nan 0.000 0.446 242 G N 0.142 108.870 108.800 -0.120 0.000 2.471 242 G HA2 -0.228 3.735 3.960 0.005 0.000 0.219 242 G HA3 -0.228 3.735 3.960 0.005 0.000 0.219 242 G C 1.578 176.619 174.900 0.235 0.000 1.125 242 G CA 0.482 45.674 45.100 0.153 0.000 0.775 242 G HN 0.293 nan 8.290 nan 0.000 0.548 243 K N 0.083 120.514 120.400 0.052 0.000 2.027 243 K HA 0.042 4.365 4.320 0.005 0.000 0.215 243 K C 2.418 179.050 176.600 0.054 0.000 1.027 243 K CA 0.570 56.867 56.287 0.016 0.000 0.967 243 K CB -0.072 32.366 32.500 -0.102 0.000 0.867 243 K HN -0.130 nan 8.250 nan 0.000 0.449 244 K N 0.698 121.113 120.400 0.024 0.000 2.062 244 K HA -0.062 4.261 4.320 0.005 0.000 0.205 244 K C 2.369 179.085 176.600 0.193 0.000 1.051 244 K CA 1.202 57.499 56.287 0.017 0.000 0.941 244 K CB -0.856 31.706 32.500 0.104 0.000 0.719 244 K HN 0.371 nan 8.250 nan 0.000 0.440 245 C N 0.481 119.959 119.300 0.297 0.000 2.436 245 C HA -0.083 4.380 4.460 0.005 0.000 0.277 245 C C 2.589 177.866 174.990 0.478 0.000 1.241 245 C CA 0.358 59.657 59.018 0.468 0.000 1.721 245 C CB -0.871 27.112 27.740 0.406 0.000 2.043 245 C HN 0.381 nan 8.230 nan 0.000 0.472 246 F N 1.822 121.942 119.950 0.283 0.000 2.164 246 F HA 0.264 4.794 4.527 0.005 0.000 0.287 246 F C 2.340 178.358 175.800 0.365 0.000 1.086 246 F CA 1.327 59.517 58.000 0.317 0.000 1.249 246 F CB -0.883 38.340 39.000 0.371 0.000 1.059 246 F HN 0.085 nan 8.300 nan 0.000 0.490 247 A N 0.005 122.993 122.820 0.280 0.000 2.119 247 A HA 0.065 4.388 4.320 0.005 0.000 0.217 247 A C 2.060 179.856 177.584 0.352 0.000 1.153 247 A CA 1.340 53.592 52.037 0.357 0.000 0.692 247 A CB -0.671 18.500 19.000 0.284 0.000 0.799 247 A HN 0.495 nan 8.150 nan 0.000 0.458 248 L N -2.190 119.132 121.223 0.165 0.000 2.488 248 L HA 0.111 4.454 4.340 0.005 0.000 0.186 248 L C 2.712 179.646 176.870 0.106 0.000 1.124 248 L CA 0.208 55.118 54.840 0.117 0.000 0.838 248 L CB -0.469 41.563 42.059 -0.044 0.000 1.107 248 L HN 0.202 nan 8.230 nan 0.000 0.494 249 R N 0.346 120.914 120.500 0.114 0.000 2.061 249 R HA -0.058 4.285 4.340 0.005 0.000 0.230 249 R C 2.190 178.544 176.300 0.091 0.000 1.140 249 R CA 1.146 57.289 56.100 0.071 0.000 0.940 249 R CB -0.264 29.962 30.300 -0.122 0.000 0.839 249 R HN 0.206 nan 8.270 nan 0.000 0.429 250 I N 1.147 121.801 120.570 0.140 0.000 2.179 250 I HA -0.203 3.971 4.170 0.005 0.000 0.242 250 I C 2.603 178.679 176.117 -0.068 0.000 1.088 250 I CA 1.417 62.788 61.300 0.118 0.000 1.357 250 I CB -1.328 36.865 38.000 0.323 0.000 1.051 250 I HN 0.171 nan 8.210 nan 0.000 0.409 251 A N 1.119 123.811 122.820 -0.213 0.000 1.972 251 A HA -0.195 4.128 4.320 0.005 0.000 0.219 251 A C 2.512 179.800 177.584 -0.492 0.000 1.169 251 A CA 2.184 53.962 52.037 -0.430 0.000 0.635 251 A CB -0.759 17.979 19.000 -0.436 0.000 0.810 251 A HN 0.584 nan 8.150 nan 0.000 0.446 252 S N -0.795 114.799 115.700 -0.177 0.000 2.402 252 S HA -0.132 4.341 4.470 0.005 0.000 0.229 252 S C 2.069 176.608 174.600 -0.101 0.000 1.021 252 S CA 1.007 59.184 58.200 -0.038 0.000 0.974 252 S CB -0.366 63.016 63.200 0.302 0.000 0.800 252 S HN 0.491 nan 8.310 nan 0.000 0.484 253 R N 1.285 121.715 120.500 -0.117 0.000 2.062 253 R HA 0.183 4.527 4.340 0.005 0.000 0.229 253 R C 2.328 178.350 176.300 -0.463 0.000 1.128 253 R CA 1.221 57.129 56.100 -0.320 0.000 0.960 253 R CB -0.981 29.257 30.300 -0.102 0.000 0.855 253 R HN 0.501 nan 8.270 nan 0.000 0.432 254 L N 0.224 121.206 121.223 -0.401 0.000 2.042 254 L HA -0.172 4.171 4.340 0.005 0.000 0.210 254 L C 2.697 179.139 176.870 -0.714 0.000 1.076 254 L CA 1.449 56.048 54.840 -0.402 0.000 0.749 254 L CB -0.722 41.197 42.059 -0.233 0.000 0.893 254 L HN 0.188 nan 8.230 nan 0.000 0.432 255 A N 0.272 122.309 122.820 -1.304 0.000 1.873 255 A HA -0.293 4.031 4.320 0.005 0.000 0.218 255 A C 2.430 179.468 177.584 -0.909 0.000 1.193 255 A CA 2.216 53.188 52.037 -1.775 0.000 0.629 255 A CB -0.603 17.497 19.000 -1.499 0.000 0.826 255 A HN 0.348 nan 8.150 nan 0.000 0.447 256 K N -0.123 119.748 120.400 -0.880 0.000 2.074 256 K HA -0.235 4.089 4.320 0.005 0.000 0.209 256 K C 1.836 178.047 176.600 -0.648 0.000 1.048 256 K CA 2.005 57.626 56.287 -1.109 0.000 0.926 256 K CB -0.244 31.529 32.500 -1.211 0.000 0.713 256 K HN 0.672 nan 8.250 nan 0.000 0.444 257 E N -0.162 119.744 120.200 -0.491 0.000 2.152 257 E HA -0.136 4.217 4.350 0.005 0.000 0.192 257 E C 1.386 177.896 176.600 -0.150 0.000 0.983 257 E CA 1.068 57.302 56.400 -0.276 0.000 0.818 257 E CB 0.185 29.748 29.700 -0.228 0.000 0.758 257 E HN 0.447 nan 8.360 nan 0.000 0.467 258 E N -1.098 119.018 120.200 -0.139 0.000 2.489 258 E HA 0.136 4.489 4.350 0.005 0.000 0.204 258 E C 0.581 177.287 176.600 0.177 0.000 1.006 258 E CA 0.273 56.713 56.400 0.067 0.000 0.936 258 E CB 1.341 31.195 29.700 0.257 0.000 1.002 258 E HN 0.267 nan 8.360 nan 0.000 0.488 259 G N 1.568 110.436 108.800 0.113 0.000 2.131 259 G HA2 -0.166 3.797 3.960 0.005 0.000 0.201 259 G HA3 -0.166 3.797 3.960 0.005 0.000 0.201 259 G C -0.191 174.900 174.900 0.318 0.000 1.000 259 G CA 0.188 45.431 45.100 0.239 0.000 0.680 259 G HN 0.220 nan 8.290 nan 0.000 0.514 260 W N -1.132 120.215 121.300 0.078 0.000 3.518 260 W HA 0.866 5.530 4.660 0.006 0.000 0.331 260 W C -0.703 175.862 176.519 0.077 0.000 1.205 260 W CA -1.621 55.737 57.345 0.021 0.000 0.956 260 W CB 0.712 30.138 29.460 -0.056 0.000 1.645 260 W HN 0.124 nan 8.180 nan 0.000 0.615 261 L N 1.139 122.535 121.223 0.289 0.000 2.422 261 L HA 0.733 5.077 4.340 0.005 0.000 0.264 261 L C -0.648 176.385 176.870 0.272 0.000 0.984 261 L CA -0.981 53.940 54.840 0.134 0.000 0.819 261 L CB 1.938 44.015 42.059 0.029 0.000 1.330 261 L HN 0.599 nan 8.230 nan 0.000 0.410 262 A N 2.365 125.312 122.820 0.213 0.000 2.357 262 A HA 0.829 5.152 4.320 0.005 0.000 0.295 262 A C -1.079 176.765 177.584 0.433 0.000 1.121 262 A CA -0.504 51.743 52.037 0.350 0.000 0.742 262 A CB 1.275 20.288 19.000 0.022 0.000 1.181 262 A HN 0.583 nan 8.150 nan 0.000 0.454 263 E N 0.659 121.145 120.200 0.476 0.000 2.383 263 E HA 0.197 4.550 4.350 0.005 0.000 0.275 263 E C -1.125 175.694 176.600 0.365 0.000 0.918 263 E CA -0.596 56.085 56.400 0.468 0.000 0.764 263 E CB 1.574 31.610 29.700 0.560 0.000 1.252 263 E HN 0.801 nan 8.360 nan 0.000 0.449 264 H N 2.299 121.483 119.070 0.190 0.000 2.970 264 H HA 0.297 4.857 4.556 0.005 0.000 0.226 264 H C -0.648 174.730 175.328 0.085 0.000 1.909 264 H CA 0.010 56.098 56.048 0.065 0.000 1.388 264 H CB -0.125 29.662 29.762 0.042 0.000 1.773 264 H HN 0.176 nan 8.280 nan 0.000 0.559 265 M N 3.855 123.535 119.600 0.133 0.000 2.393 265 M HA 0.169 4.652 4.480 0.005 0.000 0.299 265 M C -0.703 175.599 176.300 0.003 0.000 1.103 265 M CA -1.300 54.008 55.300 0.013 0.000 0.910 265 M CB 2.597 35.255 32.600 0.097 0.000 1.659 265 M HN 0.290 nan 8.290 nan 0.000 0.445 266 L N 1.658 122.827 121.223 -0.089 0.000 2.476 266 L HA 0.652 4.995 4.340 0.005 0.000 0.264 266 L C -0.994 175.889 176.870 0.022 0.000 1.224 266 L CA 0.269 55.093 54.840 -0.027 0.000 0.821 266 L CB 0.229 42.242 42.059 -0.076 0.000 1.101 266 L HN 0.602 nan 8.230 nan 0.000 0.488 267 I N 2.602 123.221 120.570 0.083 0.000 2.512 267 I HA 0.471 4.644 4.170 0.005 0.000 0.287 267 I C -1.003 175.221 176.117 0.178 0.000 1.069 267 I CA -0.620 60.763 61.300 0.138 0.000 1.056 267 I CB 1.803 39.896 38.000 0.155 0.000 1.229 267 I HN 0.710 nan 8.210 nan 0.000 0.429 268 L N 3.744 125.083 121.223 0.193 0.000 2.350 268 L HA 1.066 5.409 4.340 0.005 0.000 0.260 268 L C -0.330 176.629 176.870 0.148 0.000 1.015 268 L CA -0.500 54.440 54.840 0.167 0.000 0.821 268 L CB 1.754 43.868 42.059 0.093 0.000 1.370 268 L HN 0.484 nan 8.230 nan 0.000 0.416 269 G N 1.449 110.239 108.800 -0.018 0.000 2.417 269 G HA2 0.681 4.644 3.960 0.005 0.000 0.320 269 G HA3 0.681 4.644 3.960 0.005 0.000 0.320 269 G C -1.420 173.378 174.900 -0.171 0.000 1.204 269 G CA -0.512 44.292 45.100 -0.493 0.000 0.923 269 G HN 0.937 nan 8.290 nan 0.000 0.466 270 I N 1.742 122.264 120.570 -0.079 0.000 2.466 270 I HA 0.542 4.715 4.170 0.005 0.000 0.289 270 I C -0.603 175.638 176.117 0.208 0.000 1.026 270 I CA -0.460 60.927 61.300 0.144 0.000 1.078 270 I CB 2.054 40.230 38.000 0.294 0.000 1.249 270 I HN 0.378 nan 8.210 nan 0.000 0.429 271 T N 6.384 120.998 114.554 0.100 0.000 2.797 271 T HA 0.359 4.712 4.350 0.005 0.000 0.279 271 T C -0.208 174.267 174.700 -0.375 0.000 0.991 271 T CA -0.672 61.396 62.100 -0.054 0.000 0.979 271 T CB 0.966 69.791 68.868 -0.072 0.000 0.943 271 T HN 0.730 nan 8.240 nan 0.000 0.444 272 N N 3.065 121.288 118.700 -0.795 0.000 2.447 272 N HA 0.346 5.089 4.740 0.005 0.000 0.271 272 N C -2.408 172.488 175.510 -1.024 0.000 1.226 272 N CA -2.323 49.757 53.050 -1.617 0.000 0.980 272 N CB 0.139 37.398 38.487 -2.047 0.000 1.206 272 N HN 0.082 nan 8.380 nan 0.000 0.558 273 P HA 0.011 nan 4.420 nan 0.000 0.234 273 P C 0.024 177.116 177.300 -0.347 0.000 1.167 273 P CA 1.014 63.782 63.100 -0.552 0.000 0.763 273 P CB 0.196 31.635 31.700 -0.435 0.000 0.835 274 E N -1.182 118.805 120.200 -0.354 0.000 2.444 274 E HA 0.206 4.559 4.350 0.005 0.000 0.191 274 E C 1.257 177.766 176.600 -0.151 0.000 1.041 274 E CA 0.183 56.464 56.400 -0.198 0.000 0.883 274 E CB -0.480 29.132 29.700 -0.147 0.000 1.024 274 E HN 0.137 nan 8.360 nan 0.000 0.470 275 G N 2.151 110.838 108.800 -0.189 0.000 2.160 275 G HA2 -0.249 3.715 3.960 0.005 0.000 0.251 275 G HA3 -0.249 3.715 3.960 0.005 0.000 0.251 275 G C 0.035 174.903 174.900 -0.054 0.000 1.008 275 G CA 0.179 45.211 45.100 -0.112 0.000 0.724 275 G HN 0.016 nan 8.290 nan 0.000 0.514 276 K N 0.088 120.462 120.400 -0.044 0.000 2.182 276 K HA 0.589 4.912 4.320 0.005 0.000 0.262 276 K C -0.008 176.722 176.600 0.217 0.000 0.957 276 K CA -0.729 55.631 56.287 0.121 0.000 0.842 276 K CB 2.269 34.929 32.500 0.267 0.000 1.099 276 K HN 0.337 nan 8.250 nan 0.000 0.438 277 K N 2.167 122.679 120.400 0.187 0.000 2.270 277 K HA 0.364 4.688 4.320 0.005 0.000 0.255 277 K C -0.974 175.686 176.600 0.099 0.000 0.936 277 K CA -0.553 55.824 56.287 0.150 0.000 0.809 277 K CB 1.207 33.714 32.500 0.013 0.000 1.131 277 K HN 0.396 nan 8.250 nan 0.000 0.427 278 K N 2.512 122.947 120.400 0.058 0.000 2.426 278 K HA 0.316 4.639 4.320 0.005 0.000 0.251 278 K C -1.518 175.018 176.600 -0.108 0.000 0.941 278 K CA -0.842 55.408 56.287 -0.061 0.000 0.808 278 K CB 1.605 33.917 32.500 -0.314 0.000 1.265 278 K HN 0.384 nan 8.250 nan 0.000 0.432 279 Y N 1.729 122.061 120.300 0.052 0.000 2.342 279 Y HA 0.454 5.007 4.550 0.005 0.000 0.334 279 Y C -0.062 175.875 175.900 0.061 0.000 1.067 279 Y CA -0.705 57.437 58.100 0.070 0.000 1.128 279 Y CB 1.095 39.593 38.460 0.063 0.000 1.200 279 Y HN 0.174 nan 8.280 nan 0.000 0.464 280 L N 2.661 124.008 121.223 0.207 0.000 2.354 280 L HA 0.929 5.272 4.340 0.005 0.000 0.264 280 L C -0.505 176.438 176.870 0.122 0.000 1.008 280 L CA -1.263 53.664 54.840 0.146 0.000 0.819 280 L CB 2.036 44.162 42.059 0.111 0.000 1.339 280 L HN 0.668 nan 8.230 nan 0.000 0.420 281 A N 1.463 124.330 122.820 0.078 0.000 2.356 281 A HA 0.960 5.283 4.320 0.005 0.000 0.323 281 A C -0.867 176.661 177.584 -0.094 0.000 1.119 281 A CA -0.477 51.577 52.037 0.027 0.000 0.790 281 A CB 1.775 20.823 19.000 0.080 0.000 1.273 281 A HN 0.797 nan 8.150 nan 0.000 0.452 282 A N 0.476 123.166 122.820 -0.218 0.000 2.408 282 A HA 0.735 5.059 4.320 0.005 0.000 0.295 282 A C -0.360 176.865 177.584 -0.597 0.000 1.040 282 A CA 0.183 51.919 52.037 -0.501 0.000 0.707 282 A CB 1.085 19.641 19.000 -0.739 0.000 1.235 282 A HN 2.249 nan 8.150 nan 0.000 0.418 283 A N 2.563 125.118 122.820 -0.442 0.000 2.273 283 A HA 0.767 5.090 4.320 0.005 0.000 0.320 283 A C -1.061 176.470 177.584 -0.089 0.000 1.358 283 A CA -0.199 51.724 52.037 -0.190 0.000 0.910 283 A CB -0.319 18.809 19.000 0.215 0.000 1.159 283 A HN 0.653 nan 8.150 nan 0.000 0.526 284 F N 2.097 121.988 119.950 -0.098 0.000 2.561 284 F HA 0.640 5.170 4.527 0.005 0.000 0.321 284 F C -2.341 173.392 175.800 -0.112 0.000 1.065 284 F CA -2.959 54.983 58.000 -0.097 0.000 0.934 284 F CB 1.144 40.093 39.000 -0.085 0.000 1.215 284 F HN 0.254 nan 8.300 nan 0.000 0.471 285 P HA 0.056 nan 4.420 nan 0.000 0.274 285 P C -0.208 177.206 177.300 0.190 0.000 1.260 285 P CA -0.345 62.853 63.100 0.163 0.000 0.793 285 P CB 0.504 32.251 31.700 0.079 0.000 1.048 286 S N 0.681 116.584 115.700 0.338 0.000 2.573 286 S HA 0.173 4.647 4.470 0.005 0.000 0.297 286 S C 0.779 175.465 174.600 0.143 0.000 1.280 286 S CA 0.857 59.239 58.200 0.303 0.000 1.061 286 S CB -1.251 62.138 63.200 0.316 0.000 0.812 286 S HN 0.644 nan 8.310 nan 0.000 0.500 287 A N 3.004 125.893 122.820 0.115 0.000 2.872 287 A HA -0.190 4.133 4.320 0.005 0.000 0.273 287 A C 0.918 178.517 177.584 0.026 0.000 1.442 287 A CA 0.873 52.943 52.037 0.055 0.000 0.801 287 A CB -2.409 16.605 19.000 0.023 0.000 1.031 287 A HN 0.908 nan 8.150 nan 0.000 0.582 288 C N -1.133 118.213 119.300 0.076 0.000 2.976 288 C HA 0.588 5.051 4.460 0.005 0.000 0.274 288 C C 1.855 176.993 174.990 0.246 0.000 1.487 288 C CA 0.259 59.299 59.018 0.037 0.000 1.789 288 C CB -0.669 27.033 27.740 -0.063 0.000 2.771 288 C HN 2.341 nan 8.230 nan 0.000 0.551 289 G N 1.427 110.406 108.800 0.298 0.000 2.148 289 G HA2 -0.209 3.754 3.960 0.005 0.000 0.203 289 G HA3 -0.209 3.754 3.960 0.005 0.000 0.203 289 G C 0.907 176.083 174.900 0.461 0.000 0.993 289 G CA 0.304 45.614 45.100 0.351 0.000 0.661 289 G HN 0.500 nan 8.290 nan 0.000 0.518 290 K N -0.257 120.395 120.400 0.420 0.000 2.026 290 K HA -0.052 4.271 4.320 0.005 0.000 0.208 290 K C 2.584 179.252 176.600 0.113 0.000 1.048 290 K CA 1.862 58.277 56.287 0.213 0.000 0.929 290 K CB -0.295 32.191 32.500 -0.024 0.000 0.713 290 K HN 0.321 nan 8.250 nan 0.000 0.439 291 T N 1.395 115.995 114.554 0.077 0.000 2.746 291 T HA -0.089 4.264 4.350 0.005 0.000 0.267 291 T C 1.474 176.186 174.700 0.020 0.000 1.039 291 T CA 1.484 63.583 62.100 -0.001 0.000 1.142 291 T CB -0.272 68.586 68.868 -0.018 0.000 0.866 291 T HN 0.206 nan 8.240 nan 0.000 0.444 292 N N 1.140 119.898 118.700 0.097 0.000 2.166 292 N HA -0.009 4.734 4.740 0.005 0.000 0.186 292 N C 1.572 177.133 175.510 0.086 0.000 1.019 292 N CA 0.486 53.605 53.050 0.114 0.000 0.856 292 N CB -0.526 38.078 38.487 0.196 0.000 0.993 292 N HN 0.205 nan 8.380 nan 0.000 0.426 293 L N 0.627 121.933 121.223 0.138 0.000 2.072 293 L HA 0.130 4.473 4.340 0.005 0.000 0.205 293 L C 1.940 178.854 176.870 0.074 0.000 1.079 293 L CA 1.273 56.200 54.840 0.144 0.000 0.752 293 L CB -0.889 41.382 42.059 0.354 0.000 0.906 293 L HN 0.130 nan 8.230 nan 0.000 0.436 294 A N 0.084 122.928 122.820 0.040 0.000 2.019 294 A HA -0.143 4.181 4.320 0.005 0.000 0.219 294 A C 1.875 179.434 177.584 -0.042 0.000 1.164 294 A CA 1.869 53.902 52.037 -0.007 0.000 0.644 294 A CB -0.663 18.310 19.000 -0.044 0.000 0.805 294 A HN 0.637 nan 8.150 nan 0.000 0.449 295 M N -1.834 117.725 119.600 -0.068 0.000 2.785 295 M HA 0.448 4.931 4.480 0.005 0.000 0.374 295 M C 0.260 176.539 176.300 -0.036 0.000 1.221 295 M CA -0.358 54.893 55.300 -0.081 0.000 0.912 295 M CB -0.142 32.354 32.600 -0.173 0.000 1.355 295 M HN 0.287 nan 8.290 nan 0.000 0.513 296 M N 2.770 122.365 119.600 -0.010 0.000 2.245 296 M HA 0.036 4.519 4.480 0.005 0.000 0.335 296 M C -0.628 175.667 176.300 -0.008 0.000 1.155 296 M CA 1.021 56.319 55.300 -0.004 0.000 1.055 296 M CB 0.413 33.008 32.600 -0.009 0.000 1.670 296 M HN 0.429 nan 8.290 nan 0.000 0.447 297 N N 6.504 125.195 118.700 -0.014 0.000 2.558 297 N HA 0.463 5.206 4.740 0.005 0.000 0.233 297 N C -2.630 172.868 175.510 -0.020 0.000 1.038 297 N CA -1.773 51.268 53.050 -0.014 0.000 0.934 297 N CB 0.691 39.164 38.487 -0.024 0.000 1.175 297 N HN 0.344 nan 8.380 nan 0.000 0.512 298 P HA 0.060 nan 4.420 nan 0.000 0.268 298 P C 0.724 178.012 177.300 -0.020 0.000 1.204 298 P CA -0.106 62.982 63.100 -0.020 0.000 0.768 298 P CB 0.647 32.369 31.700 0.037 0.000 0.842 299 T N 0.251 114.771 114.554 -0.058 0.000 2.985 299 T HA 0.024 4.377 4.350 0.005 0.000 0.266 299 T C 0.950 175.640 174.700 -0.017 0.000 1.076 299 T CA 0.303 62.372 62.100 -0.051 0.000 1.135 299 T CB -0.524 68.290 68.868 -0.091 0.000 0.890 299 T HN 0.199 nan 8.240 nan 0.000 0.480 300 L N 3.006 124.219 121.223 -0.016 0.000 2.477 300 L HA 0.274 4.617 4.340 0.005 0.000 0.272 300 L C -2.270 174.719 176.870 0.198 0.000 1.157 300 L CA -1.977 52.904 54.840 0.068 0.000 0.889 300 L CB -0.102 41.937 42.059 -0.033 0.000 1.158 300 L HN 0.053 nan 8.230 nan 0.000 0.473 301 P HA 0.057 nan 4.420 nan 0.000 0.265 301 P C 0.816 178.193 177.300 0.129 0.000 1.193 301 P CA 0.467 63.633 63.100 0.110 0.000 0.765 301 P CB 0.846 32.583 31.700 0.061 0.000 0.823 302 G N 0.294 109.113 108.800 0.032 0.000 2.176 302 G HA2 -0.220 3.743 3.960 0.005 0.000 0.253 302 G HA3 -0.220 3.743 3.960 0.005 0.000 0.253 302 G C -0.548 174.198 174.900 -0.257 0.000 0.979 302 G CA -0.573 44.457 45.100 -0.117 0.000 0.641 302 G HN 0.397 nan 8.290 nan 0.000 0.530 303 W N 0.659 121.914 121.300 -0.075 0.000 2.469 303 W HA 0.729 5.393 4.660 0.005 0.000 0.320 303 W C 0.439 176.921 176.519 -0.063 0.000 1.086 303 W CA -0.764 56.528 57.345 -0.088 0.000 1.211 303 W CB 1.348 30.758 29.460 -0.084 0.000 1.298 303 W HN 0.105 nan 8.180 nan 0.000 0.525 304 K N 2.024 122.515 120.400 0.153 0.000 2.427 304 K HA 0.707 5.030 4.320 0.005 0.000 0.252 304 K C -1.754 174.911 176.600 0.108 0.000 0.931 304 K CA -0.655 55.689 56.287 0.094 0.000 0.793 304 K CB 1.870 34.385 32.500 0.025 0.000 1.211 304 K HN 0.332 nan 8.250 nan 0.000 0.426 305 V N 3.320 123.281 119.914 0.077 0.000 2.495 305 V HA 0.396 4.520 4.120 0.005 0.000 0.298 305 V C -0.853 175.264 176.094 0.037 0.000 1.031 305 V CA -0.694 61.643 62.300 0.061 0.000 0.871 305 V CB 1.761 33.617 31.823 0.055 0.000 0.988 305 V HN 0.851 nan 8.190 nan 0.000 0.432 306 E N 1.946 122.166 120.200 0.034 0.000 2.288 306 E HA 0.488 4.841 4.350 0.005 0.000 0.268 306 E C -1.370 175.275 176.600 0.076 0.000 0.885 306 E CA -0.566 55.864 56.400 0.049 0.000 0.767 306 E CB 2.433 32.170 29.700 0.063 0.000 1.220 306 E HN 0.686 nan 8.360 nan 0.000 0.427 307 C N 3.027 122.373 119.300 0.076 0.000 2.273 307 C HA 0.361 4.824 4.460 0.005 0.000 0.328 307 C C 1.287 176.383 174.990 0.177 0.000 1.275 307 C CA -0.330 58.744 59.018 0.093 0.000 1.704 307 C CB -0.367 27.378 27.740 0.008 0.000 2.326 307 C HN 0.702 nan 8.230 nan 0.000 0.517 308 V N 5.284 125.344 119.914 0.242 0.000 2.492 308 V HA 0.384 4.508 4.120 0.005 0.000 0.241 308 V C 1.433 177.722 176.094 0.325 0.000 1.041 308 V CA 1.462 63.954 62.300 0.320 0.000 1.057 308 V CB -0.345 31.657 31.823 0.297 0.000 0.711 308 V HN 1.062 nan 8.190 nan 0.000 0.468 309 G N -0.173 108.785 108.800 0.264 0.000 2.646 309 G HA2 0.459 4.422 3.960 0.005 0.000 0.291 309 G HA3 0.459 4.422 3.960 0.005 0.000 0.291 309 G C -0.861 174.161 174.900 0.203 0.000 1.445 309 G CA 0.441 45.718 45.100 0.294 0.000 0.814 309 G HN 0.128 nan 8.290 nan 0.000 0.495 310 D N -1.541 118.992 120.400 0.222 0.000 2.469 310 D HA 0.176 4.819 4.640 0.005 0.000 0.213 310 D C 0.494 176.841 176.300 0.078 0.000 1.135 310 D CA 0.362 54.411 54.000 0.082 0.000 0.834 310 D CB 1.349 42.120 40.800 -0.048 0.000 1.009 310 D HN 0.386 nan 8.370 nan 0.000 0.507 311 D N -0.751 119.719 120.400 0.116 0.000 2.017 311 D HA 0.276 4.919 4.640 0.005 0.000 0.336 311 D C -0.426 175.965 176.300 0.153 0.000 1.104 311 D CA 0.083 54.161 54.000 0.130 0.000 0.965 311 D CB 1.086 41.985 40.800 0.165 0.000 1.864 311 D HN 0.052 nan 8.370 nan 0.000 0.538 312 I N 1.216 121.849 120.570 0.105 0.000 2.582 312 I HA 0.691 4.864 4.170 0.005 0.000 0.292 312 I C -1.035 175.130 176.117 0.081 0.000 1.066 312 I CA -1.018 60.338 61.300 0.093 0.000 1.053 312 I CB 2.304 40.315 38.000 0.018 0.000 1.241 312 I HN 0.018 nan 8.210 nan 0.000 0.421 313 A N 5.601 128.528 122.820 0.179 0.000 2.356 313 A HA 0.772 5.095 4.320 0.005 0.000 0.310 313 A C -1.903 175.947 177.584 0.443 0.000 1.075 313 A CA -0.384 51.782 52.037 0.214 0.000 0.746 313 A CB 0.888 20.019 19.000 0.218 0.000 1.221 313 A HN 0.598 nan 8.150 nan 0.000 0.443 314 W N 2.092 123.491 121.300 0.165 0.000 2.475 314 W HA 0.724 5.387 4.660 0.005 0.000 0.317 314 W C -0.297 176.302 176.519 0.134 0.000 1.046 314 W CA -1.087 56.395 57.345 0.228 0.000 1.215 314 W CB 1.157 30.718 29.460 0.169 0.000 1.335 314 W HN 0.540 nan 8.180 nan 0.000 0.471 315 M N 3.015 122.846 119.600 0.385 0.000 2.501 315 M HA 0.513 4.996 4.480 0.005 0.000 0.293 315 M C -0.661 175.696 176.300 0.096 0.000 1.192 315 M CA -0.941 54.446 55.300 0.146 0.000 0.886 315 M CB 3.458 36.093 32.600 0.060 0.000 1.710 315 M HN 0.271 nan 8.290 nan 0.000 0.457 316 K N 1.495 121.864 120.400 -0.052 0.000 2.543 316 K HA 0.536 4.860 4.320 0.005 0.000 0.255 316 K C -1.854 174.656 176.600 -0.151 0.000 0.934 316 K CA -0.541 55.726 56.287 -0.034 0.000 0.810 316 K CB 1.894 34.395 32.500 0.001 0.000 1.315 316 K HN 0.491 nan 8.250 nan 0.000 0.433 317 F N 3.283 123.219 119.950 -0.023 0.000 2.538 317 F HA 0.051 4.581 4.527 0.005 0.000 0.371 317 F C 1.107 176.884 175.800 -0.038 0.000 1.087 317 F CA 0.409 58.382 58.000 -0.046 0.000 1.250 317 F CB 0.443 39.398 39.000 -0.076 0.000 1.110 317 F HN 0.594 nan 8.300 nan 0.000 0.570 318 D N 1.937 122.412 120.400 0.125 0.000 2.506 318 D HA 0.359 5.002 4.640 0.005 0.000 0.272 318 D C 0.954 177.293 176.300 0.065 0.000 1.214 318 D CA -0.362 53.675 54.000 0.060 0.000 1.067 318 D CB 0.333 41.143 40.800 0.016 0.000 1.117 318 D HN 0.452 nan 8.370 nan 0.000 0.578 319 A N -0.729 122.108 122.820 0.028 0.000 2.019 319 A HA -0.190 4.133 4.320 0.005 0.000 0.219 319 A C 1.816 179.407 177.584 0.013 0.000 1.164 319 A CA 1.195 53.241 52.037 0.015 0.000 0.644 319 A CB -0.639 18.362 19.000 0.002 0.000 0.805 319 A HN 0.509 nan 8.150 nan 0.000 0.449 320 Q N -1.542 118.271 119.800 0.022 0.000 2.432 320 Q HA 0.156 4.499 4.340 0.005 0.000 0.205 320 Q C 1.299 177.318 176.000 0.032 0.000 0.945 320 Q CA 0.877 56.691 55.803 0.018 0.000 0.924 320 Q CB -0.093 28.656 28.738 0.017 0.000 1.016 320 Q HN 1.049 nan 8.270 nan 0.000 0.503 321 G N 1.410 110.253 108.800 0.071 0.000 2.175 321 G HA2 -0.197 3.767 3.960 0.005 0.000 0.244 321 G HA3 -0.197 3.767 3.960 0.005 0.000 0.244 321 G C -0.008 175.053 174.900 0.268 0.000 0.982 321 G CA -0.185 44.982 45.100 0.112 0.000 0.641 321 G HN 0.291 nan 8.290 nan 0.000 0.527 322 N N 0.258 119.060 118.700 0.170 0.000 2.530 322 N HA 0.387 5.130 4.740 0.005 0.000 0.273 322 N C -0.112 175.403 175.510 0.009 0.000 1.173 322 N CA -0.306 52.810 53.050 0.109 0.000 0.967 322 N CB 1.862 40.369 38.487 0.034 0.000 1.109 322 N HN 0.268 nan 8.380 nan 0.000 0.453 323 L N 3.091 124.202 121.223 -0.186 0.000 2.325 323 L HA 0.198 4.541 4.340 0.005 0.000 0.284 323 L C 0.086 176.798 176.870 -0.262 0.000 1.089 323 L CA 0.084 54.586 54.840 -0.563 0.000 0.836 323 L CB -0.049 41.614 42.059 -0.661 0.000 1.184 323 L HN 0.275 nan 8.230 nan 0.000 0.444 324 R N 4.641 125.009 120.500 -0.219 0.000 2.393 324 R HA 0.776 5.119 4.340 0.005 0.000 0.310 324 R C -0.841 175.405 176.300 -0.091 0.000 0.968 324 R CA -0.591 55.433 56.100 -0.127 0.000 0.867 324 R CB 1.712 31.953 30.300 -0.098 0.000 1.124 324 R HN 0.752 nan 8.270 nan 0.000 0.450 325 A N 3.907 126.685 122.820 -0.071 0.000 2.365 325 A HA 0.732 5.056 4.320 0.005 0.000 0.318 325 A C -0.317 177.259 177.584 -0.014 0.000 1.091 325 A CA -0.821 51.213 52.037 -0.005 0.000 0.763 325 A CB 0.995 20.012 19.000 0.028 0.000 1.248 325 A HN 0.774 nan 8.150 nan 0.000 0.442 326 I N -0.719 119.874 120.570 0.038 0.000 2.785 326 I HA 0.653 4.826 4.170 0.005 0.000 0.302 326 I C -0.596 175.516 176.117 -0.009 0.000 1.069 326 I CA -0.960 60.339 61.300 -0.001 0.000 1.045 326 I CB 2.267 40.250 38.000 -0.028 0.000 1.236 326 I HN 0.474 nan 8.210 nan 0.000 0.429 327 N N 5.414 124.104 118.700 -0.017 0.000 2.426 327 N HA 0.454 5.197 4.740 0.005 0.000 0.257 327 N C -1.920 173.482 175.510 -0.180 0.000 1.002 327 N CA -2.539 50.492 53.050 -0.031 0.000 0.942 327 N CB 1.279 39.851 38.487 0.142 0.000 1.112 327 N HN 0.483 nan 8.380 nan 0.000 0.499 328 P HA 0.030 nan 4.420 nan 0.000 0.240 328 P C -0.449 176.686 177.300 -0.276 0.000 1.190 328 P CA 0.594 63.335 63.100 -0.599 0.000 0.781 328 P CB 0.561 31.389 31.700 -1.453 0.000 0.931 329 E N 0.203 120.319 120.200 -0.140 0.000 2.342 329 E HA 0.119 4.473 4.350 0.005 0.000 0.257 329 E C 0.295 176.929 176.600 0.056 0.000 1.150 329 E CA -0.265 56.112 56.400 -0.038 0.000 0.926 329 E CB 0.380 30.072 29.700 -0.013 0.000 1.074 329 E HN -0.100 nan 8.360 nan 0.000 0.449 330 N N -0.785 117.932 118.700 0.030 0.000 2.171 330 N HA 0.155 4.898 4.740 0.005 0.000 0.212 330 N C -0.619 174.839 175.510 -0.086 0.000 1.184 330 N CA 0.076 53.186 53.050 0.099 0.000 0.888 330 N CB 1.161 39.677 38.487 0.048 0.000 1.038 330 N HN 0.481 nan 8.380 nan 0.000 0.517 331 G N -1.109 107.558 108.800 -0.223 0.000 2.663 331 G HA2 0.489 4.452 3.960 0.005 0.000 0.299 331 G HA3 0.489 4.452 3.960 0.005 0.000 0.299 331 G C -1.812 172.836 174.900 -0.420 0.000 1.372 331 G CA -0.607 44.240 45.100 -0.422 0.000 0.781 331 G HN -0.012 nan 8.290 nan 0.000 0.491 332 F N 0.051 120.046 119.950 0.075 0.000 2.444 332 F HA 0.537 5.068 4.527 0.005 0.000 0.342 332 F C -0.511 175.383 175.800 0.157 0.000 1.121 332 F CA -1.467 56.608 58.000 0.125 0.000 0.997 332 F CB 2.017 41.131 39.000 0.190 0.000 1.130 332 F HN 0.278 nan 8.300 nan 0.000 0.454 333 F N 3.205 123.202 119.950 0.078 0.000 2.387 333 F HA 0.653 5.183 4.527 0.005 0.000 0.332 333 F C 0.422 176.042 175.800 -0.301 0.000 1.174 333 F CA -1.022 56.913 58.000 -0.109 0.000 1.257 333 F CB -0.130 38.821 39.000 -0.083 0.000 1.569 333 F HN 0.471 nan 8.300 nan 0.000 0.554 334 G N 2.392 110.614 108.800 -0.963 0.000 2.377 334 G HA2 0.444 4.408 3.960 0.005 0.000 0.299 334 G HA3 0.444 4.408 3.960 0.005 0.000 0.299 334 G C -0.817 173.286 174.900 -1.328 0.000 1.150 334 G CA -0.661 43.689 45.100 -1.250 0.000 0.847 334 G HN 0.238 nan 8.290 nan 0.000 0.501 335 V N 1.944 121.437 119.914 -0.702 0.000 2.509 335 V HA 0.156 4.279 4.120 0.005 0.000 0.297 335 V C 1.512 177.296 176.094 -0.517 0.000 1.014 335 V CA 0.806 62.808 62.300 -0.497 0.000 1.127 335 V CB 0.485 32.158 31.823 -0.249 0.000 0.925 335 V HN 0.982 nan 8.190 nan 0.000 0.480 336 A N 7.801 130.281 122.820 -0.567 0.000 1.855 336 A HA 0.187 4.510 4.320 0.005 0.000 0.213 336 A C -1.308 175.607 177.584 -1.115 0.000 1.195 336 A CA 0.525 52.042 52.037 -0.868 0.000 0.610 336 A CB -1.042 17.361 19.000 -0.994 0.000 0.837 336 A HN 0.725 nan 8.150 nan 0.000 0.444 337 P HA 0.271 nan 4.420 nan 0.000 0.266 337 P C 0.822 178.025 177.300 -0.162 0.000 1.195 337 P CA 1.861 64.738 63.100 -0.371 0.000 0.768 337 P CB 0.538 32.150 31.700 -0.147 0.000 0.838 338 G N 1.454 110.280 108.800 0.043 0.000 2.241 338 G HA2 -0.218 3.745 3.960 0.005 0.000 0.244 338 G HA3 -0.218 3.745 3.960 0.005 0.000 0.244 338 G C 0.274 175.225 174.900 0.085 0.000 0.998 338 G CA 0.029 45.179 45.100 0.083 0.000 0.621 338 G HN 0.596 nan 8.290 nan 0.000 0.519 339 T N 2.014 116.636 114.554 0.114 0.000 2.761 339 T HA 0.576 4.929 4.350 0.005 0.000 0.296 339 T C 0.346 175.228 174.700 0.303 0.000 0.934 339 T CA 0.839 63.046 62.100 0.180 0.000 1.091 339 T CB 1.210 70.166 68.868 0.147 0.000 0.896 339 T HN 1.446 nan 8.240 nan 0.000 0.515 340 S N 1.626 117.379 115.700 0.089 0.000 2.596 340 S HA 0.366 4.839 4.470 0.005 0.000 0.270 340 S C 0.992 175.565 174.600 -0.044 0.000 1.155 340 S CA -0.905 57.308 58.200 0.022 0.000 0.827 340 S CB 0.856 64.029 63.200 -0.045 0.000 1.130 340 S HN 0.196 nan 8.310 nan 0.000 0.467 341 V N 1.659 121.542 119.914 -0.050 0.000 2.527 341 V HA -0.217 3.907 4.120 0.005 0.000 0.255 341 V C 2.600 178.636 176.094 -0.096 0.000 1.081 341 V CA 2.527 64.789 62.300 -0.063 0.000 1.092 341 V CB -0.997 30.793 31.823 -0.056 0.000 0.673 341 V HN 0.966 nan 8.190 nan 0.000 0.470 342 K N 0.113 120.432 120.400 -0.136 0.000 2.098 342 K HA -0.119 4.205 4.320 0.005 0.000 0.203 342 K C 2.222 178.636 176.600 -0.309 0.000 1.051 342 K CA 1.675 57.844 56.287 -0.197 0.000 0.957 342 K CB -0.039 32.335 32.500 -0.210 0.000 0.738 342 K HN 0.672 nan 8.250 nan 0.000 0.447 343 T N -2.264 112.049 114.554 -0.401 0.000 3.040 343 T HA 0.063 4.417 4.350 0.005 0.000 0.252 343 T C 0.760 175.349 174.700 -0.186 0.000 1.064 343 T CA 0.150 61.845 62.100 -0.675 0.000 1.110 343 T CB 0.178 68.504 68.868 -0.903 0.000 0.921 343 T HN 0.021 nan 8.240 nan 0.000 0.480 344 N N 1.372 120.013 118.700 -0.100 0.000 2.732 344 N HA 0.260 5.003 4.740 0.005 0.000 0.230 344 N C -2.562 172.927 175.510 -0.036 0.000 1.487 344 N CA -1.568 51.469 53.050 -0.021 0.000 0.765 344 N CB 1.460 39.967 38.487 0.033 0.000 1.384 344 N HN 0.005 nan 8.380 nan 0.000 0.530 345 P HA -0.073 nan 4.420 nan 0.000 0.218 345 P C 0.864 178.136 177.300 -0.047 0.000 1.149 345 P CA 0.962 64.034 63.100 -0.046 0.000 0.817 345 P CB 0.538 32.210 31.700 -0.047 0.000 0.785 346 N N 0.297 118.967 118.700 -0.049 0.000 2.223 346 N HA -0.111 4.632 4.740 0.005 0.000 0.185 346 N C 1.874 177.333 175.510 -0.085 0.000 1.016 346 N CA 1.545 54.560 53.050 -0.058 0.000 0.863 346 N CB -0.741 37.713 38.487 -0.055 0.000 0.983 346 N HN 0.139 nan 8.380 nan 0.000 0.429 347 A N 1.465 124.224 122.820 -0.102 0.000 1.897 347 A HA -0.037 4.286 4.320 0.005 0.000 0.215 347 A C 2.142 179.608 177.584 -0.198 0.000 1.181 347 A CA 0.632 52.557 52.037 -0.185 0.000 0.620 347 A CB -0.351 18.547 19.000 -0.170 0.000 0.821 347 A HN 0.086 nan 8.150 nan 0.000 0.443 348 I N 0.367 120.878 120.570 -0.099 0.000 2.194 348 I HA -0.292 3.881 4.170 0.005 0.000 0.246 348 I C 2.229 178.296 176.117 -0.083 0.000 1.093 348 I CA 1.883 63.147 61.300 -0.061 0.000 1.355 348 I CB -1.202 36.783 38.000 -0.025 0.000 1.046 348 I HN 0.406 nan 8.210 nan 0.000 0.413 349 K N 0.368 120.723 120.400 -0.074 0.000 2.025 349 K HA -0.152 4.172 4.320 0.005 0.000 0.207 349 K C 2.061 178.619 176.600 -0.070 0.000 1.049 349 K CA 2.084 58.335 56.287 -0.060 0.000 0.933 349 K CB -0.458 32.017 32.500 -0.041 0.000 0.714 349 K HN 0.508 nan 8.250 nan 0.000 0.438 350 T N 0.595 115.095 114.554 -0.090 0.000 2.788 350 T HA -0.117 4.236 4.350 0.005 0.000 0.268 350 T C 1.863 176.492 174.700 -0.118 0.000 1.044 350 T CA 1.247 63.297 62.100 -0.083 0.000 1.139 350 T CB -0.613 68.217 68.868 -0.063 0.000 0.867 350 T HN 0.423 nan 8.240 nan 0.000 0.454 351 I N -1.504 118.954 120.570 -0.186 0.000 3.735 351 I HA 0.261 4.434 4.170 0.005 0.000 0.310 351 I C 1.587 177.662 176.117 -0.071 0.000 1.270 351 I CA 0.007 61.191 61.300 -0.195 0.000 1.207 351 I CB -0.458 37.335 38.000 -0.346 0.000 1.013 351 I HN 0.150 nan 8.210 nan 0.000 0.452 352 Q N 2.486 122.223 119.800 -0.105 0.000 2.280 352 Q HA 0.200 4.543 4.340 0.005 0.000 0.201 352 Q C -0.268 175.740 176.000 0.013 0.000 0.890 352 Q CA 0.098 55.807 55.803 -0.156 0.000 0.947 352 Q CB 0.414 29.055 28.738 -0.162 0.000 1.081 352 Q HN 0.655 nan 8.270 nan 0.000 0.502 353 K N -0.901 119.522 120.400 0.038 0.000 2.527 353 K HA 0.334 4.657 4.320 0.005 0.000 0.260 353 K C -0.605 176.057 176.600 0.103 0.000 0.937 353 K CA -0.935 55.407 56.287 0.091 0.000 0.826 353 K CB 1.088 33.634 32.500 0.077 0.000 1.359 353 K HN -0.207 nan 8.250 nan 0.000 0.434 354 N N 0.024 118.827 118.700 0.172 0.000 2.725 354 N HA -0.135 4.608 4.740 0.005 0.000 0.249 354 N C -1.214 174.410 175.510 0.191 0.000 1.103 354 N CA 1.484 54.664 53.050 0.218 0.000 0.707 354 N CB -1.308 37.263 38.487 0.139 0.000 1.043 354 N HN 0.793 nan 8.380 nan 0.000 0.553 355 T N 0.805 115.474 114.554 0.192 0.000 2.841 355 T HA 0.676 5.029 4.350 0.005 0.000 0.283 355 T C 0.648 175.425 174.700 0.127 0.000 1.000 355 T CA -0.472 61.658 62.100 0.049 0.000 0.977 355 T CB 1.954 70.728 68.868 -0.157 0.000 0.979 355 T HN 0.058 nan 8.240 nan 0.000 0.446 356 I N 3.068 123.667 120.570 0.048 0.000 2.354 356 I HA 0.466 4.639 4.170 0.005 0.000 0.292 356 I C -0.889 175.249 176.117 0.035 0.000 0.989 356 I CA -0.703 60.707 61.300 0.185 0.000 1.188 356 I CB 1.059 39.167 38.000 0.179 0.000 1.342 356 I HN 0.497 nan 8.210 nan 0.000 0.457 357 F N 3.136 123.268 119.950 0.303 0.000 2.450 357 F HA 0.519 5.049 4.527 0.005 0.000 0.332 357 F C 0.368 176.315 175.800 0.246 0.000 1.093 357 F CA -0.479 57.678 58.000 0.261 0.000 1.003 357 F CB 2.119 41.293 39.000 0.290 0.000 1.151 357 F HN 0.241 nan 8.300 nan 0.000 0.474 358 T N 2.783 117.540 114.554 0.338 0.000 2.841 358 T HA 0.252 4.605 4.350 0.005 0.000 0.285 358 T C -0.361 174.444 174.700 0.175 0.000 0.991 358 T CA -0.819 61.419 62.100 0.231 0.000 0.966 358 T CB 0.942 69.903 68.868 0.156 0.000 0.962 358 T HN 0.619 nan 8.240 nan 0.000 0.438 359 N N 0.153 118.961 118.700 0.180 0.000 2.782 359 N HA -0.140 4.603 4.740 0.005 0.000 0.251 359 N C 0.163 175.781 175.510 0.180 0.000 1.101 359 N CA 1.122 54.285 53.050 0.187 0.000 0.764 359 N CB -1.833 36.635 38.487 -0.032 0.000 1.122 359 N HN 0.691 nan 8.380 nan 0.000 0.561 360 V N -2.982 117.082 119.914 0.250 0.000 3.134 360 V HA 0.894 5.017 4.120 0.005 0.000 0.313 360 V C 1.002 177.246 176.094 0.250 0.000 1.069 360 V CA -0.512 61.956 62.300 0.281 0.000 1.048 360 V CB 1.571 33.656 31.823 0.437 0.000 1.119 360 V HN 0.288 nan 8.190 nan 0.000 0.461 361 A N 1.183 124.116 122.820 0.188 0.000 2.304 361 A HA 0.573 4.896 4.320 0.005 0.000 0.271 361 A C 0.080 177.707 177.584 0.071 0.000 1.091 361 A CA -0.393 51.702 52.037 0.097 0.000 0.812 361 A CB 0.413 19.403 19.000 -0.017 0.000 1.056 361 A HN 1.044 nan 8.150 nan 0.000 0.489 362 E N 0.088 120.310 120.200 0.036 0.000 2.199 362 E HA 0.469 4.822 4.350 0.005 0.000 0.269 362 E C -0.353 176.225 176.600 -0.038 0.000 0.899 362 E CA -0.537 55.864 56.400 0.002 0.000 0.772 362 E CB 1.311 31.022 29.700 0.017 0.000 1.155 362 E HN 0.785 nan 8.360 nan 0.000 0.408 363 T N 0.424 114.931 114.554 -0.079 0.000 2.918 363 T HA 0.131 4.484 4.350 0.005 0.000 0.283 363 T C 1.280 175.921 174.700 -0.098 0.000 1.001 363 T CA -0.121 61.908 62.100 -0.119 0.000 1.041 363 T CB 1.489 70.258 68.868 -0.165 0.000 1.028 363 T HN 0.429 nan 8.240 nan 0.000 0.511 364 S N 0.310 115.956 115.700 -0.091 0.000 2.469 364 S HA -0.126 4.347 4.470 0.005 0.000 0.238 364 S C 1.116 175.664 174.600 -0.087 0.000 0.998 364 S CA 0.815 58.971 58.200 -0.073 0.000 0.957 364 S CB -0.637 62.528 63.200 -0.060 0.000 0.764 364 S HN 0.914 nan 8.310 nan 0.000 0.514 365 D N 0.392 120.725 120.400 -0.111 0.000 2.336 365 D HA 0.292 4.935 4.640 0.005 0.000 0.228 365 D C 1.183 177.376 176.300 -0.179 0.000 1.120 365 D CA 0.287 54.209 54.000 -0.129 0.000 0.839 365 D CB -0.592 40.134 40.800 -0.124 0.000 0.932 365 D HN 0.524 nan 8.370 nan 0.000 0.509 366 G N -1.023 107.672 108.800 -0.174 0.000 2.132 366 G HA2 -0.101 3.863 3.960 0.005 0.000 0.228 366 G HA3 -0.101 3.863 3.960 0.005 0.000 0.228 366 G C 0.499 175.193 174.900 -0.343 0.000 1.000 366 G CA -0.117 44.850 45.100 -0.222 0.000 0.693 366 G HN 0.810 nan 8.290 nan 0.000 0.515 367 G N -1.527 107.097 108.800 -0.293 0.000 2.705 367 G HA2 0.907 4.871 3.960 0.005 0.000 0.299 367 G HA3 0.907 4.871 3.960 0.005 0.000 0.299 367 G C 0.121 174.987 174.900 -0.057 0.000 1.315 367 G CA 0.127 45.067 45.100 -0.267 0.000 1.045 367 G HN 1.529 nan 8.290 nan 0.000 0.517 368 V N -2.800 117.124 119.914 0.017 0.000 2.732 368 V HA 0.836 4.960 4.120 0.005 0.000 0.310 368 V C -1.142 174.829 176.094 -0.205 0.000 1.053 368 V CA -1.125 61.081 62.300 -0.157 0.000 0.957 368 V CB 1.523 33.093 31.823 -0.422 0.000 1.018 368 V HN 0.658 nan 8.190 nan 0.000 0.452 369 Y N 2.789 122.862 120.300 -0.377 0.000 2.562 369 Y HA 0.825 5.378 4.550 0.005 0.000 0.345 369 Y C -1.164 174.584 175.900 -0.254 0.000 1.045 369 Y CA -0.968 56.842 58.100 -0.484 0.000 1.028 369 Y CB 2.280 40.569 38.460 -0.286 0.000 1.297 369 Y HN 1.099 nan 8.280 nan 0.000 0.463 370 W N 0.949 122.051 121.300 -0.330 0.000 3.059 370 W HA 0.604 5.267 4.660 0.005 0.000 0.329 370 W C -1.493 174.855 176.519 -0.285 0.000 1.246 370 W CA -1.149 56.057 57.345 -0.232 0.000 1.190 370 W CB 0.179 29.562 29.460 -0.129 0.000 1.423 370 W HN 0.339 nan 8.180 nan 0.000 0.571 371 E N 1.049 121.337 120.200 0.148 0.000 2.529 371 E HA 0.376 4.729 4.350 0.005 0.000 0.259 371 E C 1.228 177.934 176.600 0.176 0.000 0.966 371 E CA 2.441 58.905 56.400 0.107 0.000 0.937 371 E CB 0.176 29.931 29.700 0.093 0.000 0.923 371 E HN 1.181 nan 8.360 nan 0.000 0.468 372 G N 3.167 112.014 108.800 0.077 0.000 2.168 372 G HA2 -0.357 3.607 3.960 0.005 0.000 0.263 372 G HA3 -0.357 3.607 3.960 0.005 0.000 0.263 372 G C 0.925 175.857 174.900 0.055 0.000 0.977 372 G CA 0.393 45.536 45.100 0.072 0.000 0.659 372 G HN 0.637 nan 8.290 nan 0.000 0.533 373 I N -0.059 120.461 120.570 -0.084 0.000 2.454 373 I HA -0.044 4.129 4.170 0.005 0.000 0.254 373 I C 1.359 177.344 176.117 -0.220 0.000 1.156 373 I CA 1.694 62.815 61.300 -0.299 0.000 1.433 373 I CB -0.023 37.354 38.000 -1.038 0.000 1.082 373 I HN 0.253 nan 8.210 nan 0.000 0.432 374 D N 2.283 122.579 120.400 -0.173 0.000 2.723 374 D HA -0.253 4.390 4.640 0.005 0.000 0.236 374 D C -0.050 176.204 176.300 -0.076 0.000 1.138 374 D CA 1.108 55.055 54.000 -0.088 0.000 0.676 374 D CB -0.848 39.908 40.800 -0.072 0.000 1.069 374 D HN 0.750 nan 8.370 nan 0.000 0.430 375 E N 0.097 120.252 120.200 -0.075 0.000 2.294 375 E HA 0.469 4.822 4.350 0.005 0.000 0.272 375 E C -2.685 173.973 176.600 0.095 0.000 0.896 375 E CA -1.660 54.731 56.400 -0.015 0.000 0.802 375 E CB 1.421 31.087 29.700 -0.056 0.000 1.267 375 E HN -0.110 nan 8.360 nan 0.000 0.406 376 P HA 0.156 nan 4.420 nan 0.000 0.272 376 P C -0.823 176.513 177.300 0.059 0.000 1.223 376 P CA -0.114 63.035 63.100 0.082 0.000 0.784 376 P CB 0.585 32.306 31.700 0.035 0.000 0.923 377 L N 0.908 122.139 121.223 0.013 0.000 2.344 377 L HA 0.619 4.962 4.340 0.005 0.000 0.272 377 L C 0.674 177.518 176.870 -0.044 0.000 1.035 377 L CA -1.332 53.477 54.840 -0.051 0.000 0.807 377 L CB 1.228 43.188 42.059 -0.164 0.000 1.237 377 L HN 0.375 nan 8.230 nan 0.000 0.442 378 A N 2.479 125.270 122.820 -0.048 0.000 2.498 378 A HA 0.378 4.701 4.320 0.005 0.000 0.239 378 A C -2.239 175.317 177.584 -0.046 0.000 1.068 378 A CA -0.903 51.110 52.037 -0.041 0.000 0.766 378 A CB -0.727 18.248 19.000 -0.042 0.000 1.003 378 A HN 0.445 nan 8.150 nan 0.000 0.497 379 P HA 0.217 nan 4.420 nan 0.000 0.261 379 P C 1.104 178.380 177.300 -0.041 0.000 1.173 379 P CA 1.861 64.939 63.100 -0.036 0.000 0.760 379 P CB 0.500 32.182 31.700 -0.029 0.000 0.783 380 G N 1.148 109.922 108.800 -0.043 0.000 2.258 380 G HA2 -0.228 3.735 3.960 0.005 0.000 0.233 380 G HA3 -0.228 3.735 3.960 0.005 0.000 0.233 380 G C 0.086 174.955 174.900 -0.053 0.000 1.006 380 G CA -0.095 44.979 45.100 -0.043 0.000 0.620 380 G HN 0.554 nan 8.290 nan 0.000 0.511 381 V N 3.099 122.973 119.914 -0.066 0.000 2.521 381 V HA 0.528 4.651 4.120 0.005 0.000 0.286 381 V C 1.089 177.130 176.094 -0.089 0.000 1.034 381 V CA 0.764 63.013 62.300 -0.085 0.000 1.045 381 V CB 0.908 32.666 31.823 -0.109 0.000 0.974 381 V HN 0.836 nan 8.190 nan 0.000 0.480 382 T N 3.213 117.721 114.554 -0.077 0.000 2.949 382 T HA 0.832 5.185 4.350 0.005 0.000 0.287 382 T C -0.660 174.008 174.700 -0.053 0.000 1.034 382 T CA -0.800 61.269 62.100 -0.051 0.000 1.018 382 T CB 1.888 70.741 68.868 -0.026 0.000 1.135 382 T HN 0.308 nan 8.240 nan 0.000 0.532 383 I N 0.917 121.495 120.570 0.013 0.000 2.498 383 I HA 0.377 4.550 4.170 0.005 0.000 0.290 383 I C -0.290 175.888 176.117 0.102 0.000 1.032 383 I CA -0.815 60.506 61.300 0.035 0.000 1.073 383 I CB 2.532 40.592 38.000 0.100 0.000 1.251 383 I HN 0.661 nan 8.210 nan 0.000 0.426 384 T N 4.071 118.657 114.554 0.053 0.000 2.749 384 T HA 0.283 4.636 4.350 0.005 0.000 0.287 384 T C 0.294 175.023 174.700 0.048 0.000 0.970 384 T CA -0.587 61.551 62.100 0.064 0.000 0.980 384 T CB 1.102 69.991 68.868 0.036 0.000 0.924 384 T HN 0.754 nan 8.240 nan 0.000 0.456 385 S N 3.863 119.597 115.700 0.057 0.000 2.606 385 S HA 0.087 4.560 4.470 0.005 0.000 0.257 385 S C 1.530 176.151 174.600 0.035 0.000 1.327 385 S CA -0.835 57.355 58.200 -0.016 0.000 0.984 385 S CB 0.315 63.504 63.200 -0.018 0.000 0.941 385 S HN 0.916 nan 8.310 nan 0.000 0.576 386 W N 0.476 121.756 121.300 -0.034 0.000 2.611 386 W HA 0.123 4.785 4.660 0.005 0.000 0.251 386 W C 0.551 177.078 176.519 0.013 0.000 1.265 386 W CA 0.390 57.739 57.345 0.007 0.000 1.295 386 W CB -0.796 28.680 29.460 0.028 0.000 1.129 386 W HN 0.643 nan 8.180 nan 0.000 0.630 387 K N 1.129 121.069 120.400 -0.766 0.000 2.458 387 K HA -0.074 4.249 4.320 0.005 0.000 0.194 387 K C 0.405 176.826 176.600 -0.298 0.000 1.024 387 K CA 0.294 56.142 56.287 -0.731 0.000 1.108 387 K CB -0.413 31.642 32.500 -0.742 0.000 0.846 387 K HN -0.086 nan 8.250 nan 0.000 0.518 388 N N 1.657 120.263 118.700 -0.158 0.000 2.780 388 N HA -0.163 4.580 4.740 0.005 0.000 0.248 388 N C -1.570 173.916 175.510 -0.039 0.000 1.102 388 N CA 0.951 53.966 53.050 -0.059 0.000 0.697 388 N CB -0.944 37.517 38.487 -0.043 0.000 1.028 388 N HN 0.213 nan 8.380 nan 0.000 0.554 389 K N 0.272 120.657 120.400 -0.026 0.000 2.328 389 K HA 0.361 4.684 4.320 0.005 0.000 0.246 389 K C -0.360 176.284 176.600 0.074 0.000 0.955 389 K CA -0.867 55.428 56.287 0.013 0.000 0.817 389 K CB 1.269 33.775 32.500 0.010 0.000 1.208 389 K HN 0.171 nan 8.250 nan 0.000 0.432 390 E N 1.020 121.262 120.200 0.070 0.000 2.414 390 E HA -0.036 4.317 4.350 0.005 0.000 0.263 390 E C -1.089 175.619 176.600 0.181 0.000 1.000 390 E CA 0.386 56.845 56.400 0.099 0.000 0.914 390 E CB 0.525 30.252 29.700 0.045 0.000 0.948 390 E HN 0.375 nan 8.360 nan 0.000 0.444 391 W N 2.474 123.767 121.300 -0.012 0.000 2.998 391 W HA 0.367 5.030 4.660 0.005 0.000 0.335 391 W C -0.968 175.548 176.519 -0.005 0.000 1.110 391 W CA -0.666 56.681 57.345 0.005 0.000 1.230 391 W CB 1.298 30.779 29.460 0.035 0.000 1.405 391 W HN 0.351 nan 8.180 nan 0.000 0.493 392 R N 4.642 124.750 120.500 -0.653 0.000 2.803 392 R HA 0.352 4.695 4.340 0.005 0.000 0.276 392 R C -1.906 173.594 176.300 -1.334 0.000 0.978 392 R CA -1.759 53.955 56.100 -0.643 0.000 0.939 392 R CB 1.870 31.948 30.300 -0.371 0.000 1.179 392 R HN 0.191 nan 8.270 nan 0.000 0.472 393 P HA -0.125 nan 4.420 nan 0.000 0.229 393 P C 0.010 177.095 177.300 -0.358 0.000 1.150 393 P CA 1.102 63.938 63.100 -0.440 0.000 0.765 393 P CB 0.311 32.007 31.700 -0.005 0.000 0.783 394 Q N -0.347 119.202 119.800 -0.418 0.000 2.324 394 Q HA 0.191 4.534 4.340 0.005 0.000 0.373 394 Q C -0.851 174.991 176.000 -0.263 0.000 0.909 394 Q CA -0.106 55.553 55.803 -0.239 0.000 1.135 394 Q CB -0.173 28.472 28.738 -0.155 0.000 1.313 394 Q HN 0.031 nan 8.270 nan 0.000 0.417 395 D N -1.252 118.939 120.400 -0.349 0.000 2.506 395 D HA 0.068 4.711 4.640 0.005 0.000 0.254 395 D C 0.851 177.117 176.300 -0.057 0.000 1.089 395 D CA -0.447 53.401 54.000 -0.255 0.000 1.050 395 D CB 1.110 41.639 40.800 -0.451 0.000 1.221 395 D HN 0.110 nan 8.370 nan 0.000 0.589 396 E N 0.250 120.450 120.200 -0.001 0.000 2.051 396 E HA -0.139 4.214 4.350 0.005 0.000 0.192 396 E C -0.080 176.600 176.600 0.133 0.000 0.991 396 E CA 1.393 57.827 56.400 0.057 0.000 0.799 396 E CB 0.111 29.841 29.700 0.049 0.000 0.748 396 E HN 0.535 nan 8.360 nan 0.000 0.449 397 E N 0.105 120.443 120.200 0.230 0.000 2.281 397 E HA 0.432 4.785 4.350 0.005 0.000 0.262 397 E C -2.375 174.512 176.600 0.479 0.000 0.933 397 E CA -2.629 53.949 56.400 0.297 0.000 0.809 397 E CB 1.292 31.157 29.700 0.275 0.000 1.242 397 E HN -0.046 nan 8.360 nan 0.000 0.418 398 P HA -0.042 nan 4.420 nan 0.000 0.272 398 P C 0.893 178.240 177.300 0.078 0.000 1.223 398 P CA -0.369 62.879 63.100 0.245 0.000 0.784 398 P CB 0.731 32.488 31.700 0.094 0.000 0.923 399 C N 0.125 119.161 119.300 -0.440 0.000 2.485 399 C HA 0.481 4.945 4.460 0.005 0.000 0.277 399 C C 1.102 176.025 174.990 -0.112 0.000 1.376 399 C CA 0.331 58.791 59.018 -0.931 0.000 1.759 399 C CB -1.281 25.471 27.740 -1.647 0.000 1.970 399 C HN 0.628 nan 8.230 nan 0.000 0.509 400 A N 0.094 122.895 122.820 -0.031 0.000 2.374 400 A HA 0.569 4.892 4.320 0.005 0.000 0.317 400 A C -0.401 176.963 177.584 -0.366 0.000 1.094 400 A CA -0.358 51.664 52.037 -0.025 0.000 0.765 400 A CB 0.114 19.160 19.000 0.077 0.000 1.268 400 A HN 0.575 nan 8.150 nan 0.000 0.438 401 H N 1.983 120.449 119.070 -1.007 0.000 2.897 401 H HA 0.059 4.618 4.556 0.005 0.000 0.347 401 H C -1.687 173.340 175.328 -0.501 0.000 1.068 401 H CA -0.627 54.755 56.048 -1.109 0.000 1.426 401 H CB 1.171 30.023 29.762 -1.516 0.000 1.410 401 H HN 0.269 nan 8.280 nan 0.000 0.597 402 P HA -0.133 nan 4.420 nan 0.000 0.218 402 P C 0.710 177.915 177.300 -0.158 0.000 1.148 402 P CA 1.501 64.379 63.100 -0.370 0.000 0.822 402 P CB 0.270 31.730 31.700 -0.400 0.000 0.784 403 N N -1.050 117.701 118.700 0.085 0.000 2.279 403 N HA 0.021 4.764 4.740 0.005 0.000 0.226 403 N C -0.474 175.031 175.510 -0.008 0.000 1.126 403 N CA -0.214 52.863 53.050 0.046 0.000 0.846 403 N CB -0.270 38.241 38.487 0.040 0.000 1.050 403 N HN -0.040 nan 8.380 nan 0.000 0.502 404 S N -0.222 115.439 115.700 -0.065 0.000 2.568 404 S HA 0.307 4.780 4.470 0.005 0.000 0.282 404 S C 0.147 174.619 174.600 -0.213 0.000 1.338 404 S CA -0.360 57.785 58.200 -0.093 0.000 1.045 404 S CB 1.194 64.340 63.200 -0.090 0.000 0.873 404 S HN 0.124 nan 8.310 nan 0.000 0.516 405 R N 0.765 121.127 120.500 -0.230 0.000 2.795 405 R HA 0.527 4.871 4.340 0.005 0.000 0.275 405 R C -0.972 175.134 176.300 -0.323 0.000 0.981 405 R CA -0.675 55.100 56.100 -0.541 0.000 0.917 405 R CB 1.467 31.154 30.300 -1.021 0.000 1.202 405 R HN 0.781 nan 8.270 nan 0.000 0.469 406 F N -1.275 118.459 119.950 -0.361 0.000 2.470 406 F HA 0.686 5.217 4.527 0.006 0.000 0.329 406 F C -0.190 175.432 175.800 -0.296 0.000 1.072 406 F CA -1.493 56.252 58.000 -0.426 0.000 0.989 406 F CB 1.118 39.810 39.000 -0.514 0.000 1.193 406 F HN 0.314 nan 8.300 nan 0.000 0.481 407 C N 3.165 122.491 119.300 0.044 0.000 2.407 407 C HA 0.812 5.275 4.460 0.005 0.000 0.328 407 C C -0.697 174.347 174.990 0.089 0.000 1.137 407 C CA 0.183 59.294 59.018 0.154 0.000 1.390 407 C CB -0.319 27.522 27.740 0.169 0.000 1.989 407 C HN 1.127 nan 8.230 nan 0.000 0.432 408 T N 3.962 118.600 114.554 0.139 0.000 2.893 408 T HA 0.646 4.999 4.350 0.005 0.000 0.293 408 T C -3.208 171.447 174.700 -0.074 0.000 1.027 408 T CA -1.738 60.385 62.100 0.038 0.000 0.988 408 T CB 1.764 70.671 68.868 0.064 0.000 1.043 408 T HN 0.355 nan 8.240 nan 0.000 0.461 409 P HA 0.307 nan 4.420 nan 0.000 0.267 409 P C 0.609 177.695 177.300 -0.356 0.000 1.205 409 P CA -0.310 62.673 63.100 -0.195 0.000 0.765 409 P CB 0.496 32.130 31.700 -0.112 0.000 0.828 410 A N 3.425 125.873 122.820 -0.621 0.000 1.969 410 A HA -0.143 4.180 4.320 0.005 0.000 0.218 410 A C 2.081 179.227 177.584 -0.729 0.000 1.169 410 A CA 1.882 53.294 52.037 -1.041 0.000 0.635 410 A CB -1.499 16.659 19.000 -1.403 0.000 0.810 410 A HN 0.569 nan 8.150 nan 0.000 0.445 411 S N -0.622 114.804 115.700 -0.457 0.000 2.465 411 S HA -0.225 4.248 4.470 0.005 0.000 0.241 411 S C 1.737 176.259 174.600 -0.130 0.000 1.000 411 S CA 1.486 59.570 58.200 -0.194 0.000 0.964 411 S CB -0.381 62.867 63.200 0.080 0.000 0.763 411 S HN 0.694 nan 8.310 nan 0.000 0.512 412 Q N -0.245 119.476 119.800 -0.133 0.000 2.302 412 Q HA 0.169 4.512 4.340 0.005 0.000 0.202 412 Q C 0.939 176.913 176.000 -0.043 0.000 0.936 412 Q CA 0.223 55.990 55.803 -0.062 0.000 0.886 412 Q CB 0.006 28.716 28.738 -0.046 0.000 0.986 412 Q HN 0.664 nan 8.270 nan 0.000 0.487 413 C N 3.207 122.486 119.300 -0.035 0.000 2.523 413 C HA 0.005 4.468 4.460 0.005 0.000 0.406 413 C C -0.891 174.087 174.990 -0.019 0.000 1.449 413 C CA -1.305 57.725 59.018 0.020 0.000 1.588 413 C CB 0.462 28.283 27.740 0.135 0.000 2.514 413 C HN 0.379 nan 8.230 nan 0.000 0.606 414 P HA -0.056 nan 4.420 nan 0.000 0.226 414 P C 0.549 177.846 177.300 -0.006 0.000 1.153 414 P CA 1.448 64.541 63.100 -0.011 0.000 0.777 414 P CB -0.193 31.500 31.700 -0.012 0.000 0.794 415 I N -4.469 116.095 120.570 -0.009 0.000 3.762 415 I HA 0.339 4.513 4.170 0.005 0.000 0.333 415 I C 0.428 176.548 176.117 0.005 0.000 1.566 415 I CA -1.109 60.193 61.300 0.002 0.000 1.129 415 I CB -0.288 37.712 38.000 0.000 0.000 1.218 415 I HN -0.334 nan 8.210 nan 0.000 0.456 416 I N 2.564 123.117 120.570 -0.027 0.000 2.775 416 I HA -0.034 4.139 4.170 0.005 0.000 0.290 416 I C 0.689 176.820 176.117 0.023 0.000 1.203 416 I CA 0.589 61.837 61.300 -0.086 0.000 1.433 416 I CB 0.222 38.025 38.000 -0.328 0.000 1.354 416 I HN 0.326 nan 8.210 nan 0.000 0.579 417 D N 9.141 129.609 120.400 0.115 0.000 2.382 417 D HA 0.107 4.751 4.640 0.005 0.000 0.245 417 D C -1.732 174.748 176.300 0.301 0.000 1.120 417 D CA -1.263 52.873 54.000 0.228 0.000 0.890 417 D CB 1.664 42.664 40.800 0.333 0.000 1.201 417 D HN 0.347 nan 8.370 nan 0.000 0.433 418 P HA -0.050 nan 4.420 nan 0.000 0.222 418 P C 0.323 177.764 177.300 0.236 0.000 1.147 418 P CA 0.660 63.901 63.100 0.235 0.000 0.790 418 P CB 0.173 31.969 31.700 0.160 0.000 0.780 419 A N -0.479 122.488 122.820 0.245 0.000 2.460 419 A HA 0.090 4.413 4.320 0.005 0.000 0.258 419 A C 1.549 179.204 177.584 0.119 0.000 1.300 419 A CA -0.677 51.438 52.037 0.130 0.000 0.913 419 A CB -1.417 17.625 19.000 0.071 0.000 1.031 419 A HN 0.322 nan 8.150 nan 0.000 0.512 420 W N 0.493 121.821 121.300 0.046 0.000 2.525 420 W HA -0.001 4.662 4.660 0.005 0.000 0.259 420 W C -0.092 176.424 176.519 -0.005 0.000 1.253 420 W CA 1.233 58.598 57.345 0.033 0.000 1.262 420 W CB -0.246 29.253 29.460 0.065 0.000 1.122 420 W HN 0.511 nan 8.180 nan 0.000 0.607 421 E N 0.894 120.689 120.200 -0.675 0.000 2.603 421 E HA 0.035 4.388 4.350 0.005 0.000 0.211 421 E C 0.210 176.600 176.600 -0.350 0.000 0.995 421 E CA -0.181 55.788 56.400 -0.718 0.000 0.990 421 E CB 0.642 29.778 29.700 -0.939 0.000 1.036 421 E HN -0.077 nan 8.360 nan 0.000 0.475 422 S N 2.645 118.217 115.700 -0.215 0.000 2.533 422 S HA 0.060 4.533 4.470 0.005 0.000 0.282 422 S C -1.280 173.239 174.600 -0.134 0.000 1.304 422 S CA -1.320 56.796 58.200 -0.140 0.000 1.063 422 S CB 0.695 63.839 63.200 -0.094 0.000 0.881 422 S HN 0.005 nan 8.310 nan 0.000 0.493 423 P HA -0.070 nan 4.420 nan 0.000 0.222 423 P C 0.679 177.927 177.300 -0.086 0.000 1.147 423 P CA 0.891 63.932 63.100 -0.100 0.000 0.790 423 P CB 0.112 31.762 31.700 -0.083 0.000 0.780 424 E N -0.138 120.013 120.200 -0.082 0.000 2.358 424 E HA 0.129 4.483 4.350 0.005 0.000 0.195 424 E C 1.374 177.921 176.600 -0.088 0.000 1.010 424 E CA 0.786 57.141 56.400 -0.075 0.000 0.856 424 E CB -0.480 29.181 29.700 -0.065 0.000 0.795 424 E HN 0.254 nan 8.360 nan 0.000 0.504 425 G N 1.123 109.861 108.800 -0.103 0.000 2.828 425 G HA2 -0.225 3.738 3.960 0.005 0.000 0.463 425 G HA3 -0.225 3.738 3.960 0.005 0.000 0.463 425 G C -0.083 174.707 174.900 -0.183 0.000 1.394 425 G CA -0.234 44.794 45.100 -0.120 0.000 0.862 425 G HN 0.445 nan 8.290 nan 0.000 0.540 426 V N -2.383 117.374 119.914 -0.262 0.000 2.581 426 V HA 0.882 5.005 4.120 0.005 0.000 0.303 426 V C -2.224 173.696 176.094 -0.290 0.000 1.041 426 V CA -2.042 59.972 62.300 -0.477 0.000 0.907 426 V CB 2.217 33.354 31.823 -1.144 0.000 0.994 426 V HN 0.898 nan 8.190 nan 0.000 0.442 427 P HA 0.369 nan 4.420 nan 0.000 0.281 427 P C -0.647 176.676 177.300 0.039 0.000 1.286 427 P CA -0.086 62.986 63.100 -0.047 0.000 0.772 427 P CB 0.705 32.411 31.700 0.009 0.000 0.862 428 I N 4.065 124.649 120.570 0.023 0.000 2.371 428 I HA 0.151 4.324 4.170 0.005 0.000 0.290 428 I C 1.394 177.564 176.117 0.087 0.000 1.028 428 I CA 0.053 61.404 61.300 0.085 0.000 1.345 428 I CB 0.607 38.644 38.000 0.062 0.000 1.407 428 I HN 0.435 nan 8.210 nan 0.000 0.501 429 E N 3.571 123.835 120.200 0.108 0.000 2.465 429 E HA 0.261 4.614 4.350 0.005 0.000 0.209 429 E C 0.709 177.381 176.600 0.120 0.000 0.951 429 E CA -0.101 56.349 56.400 0.084 0.000 0.997 429 E CB 1.265 30.980 29.700 0.025 0.000 1.025 429 E HN 0.806 nan 8.360 nan 0.000 0.500 430 G N 0.789 109.682 108.800 0.154 0.000 2.704 430 G HA2 0.637 4.600 3.960 0.005 0.000 0.293 430 G HA3 0.637 4.600 3.960 0.005 0.000 0.293 430 G C -1.458 173.544 174.900 0.171 0.000 1.421 430 G CA -0.618 44.611 45.100 0.215 0.000 0.870 430 G HN -0.033 nan 8.290 nan 0.000 0.492 431 I N 0.649 121.296 120.570 0.128 0.000 2.533 431 I HA 0.437 4.610 4.170 0.005 0.000 0.290 431 I C -0.831 175.171 176.117 -0.192 0.000 1.056 431 I CA -0.702 60.567 61.300 -0.052 0.000 1.057 431 I CB 2.372 40.334 38.000 -0.064 0.000 1.240 431 I HN 0.228 nan 8.210 nan 0.000 0.423 432 I N 5.668 126.068 120.570 -0.283 0.000 2.406 432 I HA 0.434 4.607 4.170 0.005 0.000 0.290 432 I C -0.918 174.957 176.117 -0.403 0.000 0.999 432 I CA -0.445 60.735 61.300 -0.200 0.000 1.124 432 I CB 1.426 39.426 38.000 -0.001 0.000 1.289 432 I HN 0.251 nan 8.210 nan 0.000 0.441 433 F N 3.041 122.955 119.950 -0.060 0.000 2.483 433 F HA 0.906 5.437 4.527 0.006 0.000 0.329 433 F C 0.761 176.380 175.800 -0.300 0.000 1.064 433 F CA -0.786 57.142 58.000 -0.121 0.000 0.986 433 F CB 2.093 41.002 39.000 -0.152 0.000 1.218 433 F HN 0.509 nan 8.300 nan 0.000 0.484 434 G N -0.595 108.196 108.800 -0.015 0.000 2.338 434 G HA2 0.548 4.511 3.960 0.005 0.000 0.295 434 G HA3 0.548 4.511 3.960 0.005 0.000 0.295 434 G C -1.308 173.414 174.900 -0.296 0.000 1.461 434 G CA -0.043 44.716 45.100 -0.569 0.000 0.817 434 G HN 1.074 nan 8.290 nan 0.000 0.556 435 G N -1.090 107.511 108.800 -0.332 0.000 2.561 435 G HA2 0.601 4.564 3.960 0.005 0.000 0.310 435 G HA3 0.601 4.564 3.960 0.005 0.000 0.310 435 G C -1.381 173.411 174.900 -0.181 0.000 1.292 435 G CA -0.961 44.010 45.100 -0.215 0.000 0.811 435 G HN 0.597 nan 8.290 nan 0.000 0.482 436 R N 0.967 121.286 120.500 -0.302 0.000 2.205 436 R HA 0.469 4.812 4.340 0.005 0.000 0.342 436 R C -0.586 175.653 176.300 -0.101 0.000 1.058 436 R CA -0.436 55.459 56.100 -0.343 0.000 0.904 436 R CB 0.748 30.672 30.300 -0.626 0.000 1.089 436 R HN 0.098 nan 8.270 nan 0.000 0.471 437 R N 4.040 124.559 120.500 0.033 0.000 2.422 437 R HA 0.197 4.540 4.340 0.005 0.000 0.307 437 R C -2.011 174.324 176.300 0.057 0.000 1.004 437 R CA -2.270 53.846 56.100 0.026 0.000 0.882 437 R CB 1.621 31.942 30.300 0.035 0.000 1.164 437 R HN 0.415 nan 8.270 nan 0.000 0.489 438 P HA 0.017 nan 4.420 nan 0.000 0.229 438 P C -0.159 177.135 177.300 -0.009 0.000 1.160 438 P CA 0.588 63.718 63.100 0.051 0.000 0.777 438 P CB 0.661 32.370 31.700 0.016 0.000 0.814 439 A N -1.283 121.499 122.820 -0.063 0.000 2.401 439 A HA 0.659 4.983 4.320 0.005 0.000 0.310 439 A C 0.994 178.240 177.584 -0.563 0.000 1.075 439 A CA -0.022 51.900 52.037 -0.192 0.000 0.746 439 A CB 1.137 20.098 19.000 -0.065 0.000 1.277 439 A HN 0.170 nan 8.150 nan 0.000 0.425 440 G N -0.076 108.222 108.800 -0.837 0.000 2.396 440 G HA2 -0.180 3.783 3.960 0.005 0.000 0.242 440 G HA3 -0.180 3.783 3.960 0.005 0.000 0.242 440 G C 0.285 174.737 174.900 -0.746 0.000 1.069 440 G CA 0.393 44.488 45.100 -1.675 0.000 0.633 440 G HN 1.630 nan 8.290 nan 0.000 0.517 441 V N 4.396 124.099 119.914 -0.352 0.000 2.370 441 V HA 0.513 4.636 4.120 0.005 0.000 0.279 441 V C -1.196 174.946 176.094 0.081 0.000 1.029 441 V CA -1.277 61.082 62.300 0.098 0.000 0.870 441 V CB 1.634 33.566 31.823 0.181 0.000 0.984 441 V HN 0.304 nan 8.190 nan 0.000 0.451 442 P HA 0.098 nan 4.420 nan 0.000 0.274 442 P C 0.871 178.156 177.300 -0.026 0.000 1.256 442 P CA -0.434 62.674 63.100 0.013 0.000 0.795 442 P CB 1.177 32.927 31.700 0.083 0.000 1.038 443 L N 1.367 122.431 121.223 -0.264 0.000 2.043 443 L HA -0.054 4.289 4.340 0.005 0.000 0.212 443 L C 0.664 177.422 176.870 -0.187 0.000 1.075 443 L CA 2.044 56.666 54.840 -0.364 0.000 0.752 443 L CB -0.323 41.303 42.059 -0.722 0.000 0.891 443 L HN 0.273 nan 8.230 nan 0.000 0.432 444 V N -1.086 118.808 119.914 -0.033 0.000 3.000 444 V HA 0.461 4.585 4.120 0.005 0.000 0.300 444 V C -1.720 174.511 176.094 0.229 0.000 1.251 444 V CA -0.521 61.799 62.300 0.033 0.000 0.972 444 V CB 1.986 33.785 31.823 -0.040 0.000 1.065 444 V HN 0.393 nan 8.190 nan 0.000 0.431 445 Y N 2.158 122.607 120.300 0.249 0.000 2.638 445 Y HA 0.815 5.368 4.550 0.005 0.000 0.335 445 Y C -0.970 175.252 175.900 0.538 0.000 1.155 445 Y CA -0.964 57.334 58.100 0.329 0.000 1.046 445 Y CB 1.573 40.149 38.460 0.193 0.000 1.303 445 Y HN 0.711 nan 8.280 nan 0.000 0.460 446 E N 1.873 122.508 120.200 0.725 0.000 2.199 446 E HA 0.727 5.080 4.350 0.005 0.000 0.269 446 E C -0.860 176.006 176.600 0.444 0.000 0.899 446 E CA -1.149 55.545 56.400 0.490 0.000 0.772 446 E CB 1.854 31.881 29.700 0.544 0.000 1.155 446 E HN 1.037 nan 8.360 nan 0.000 0.408 447 A N 4.095 127.051 122.820 0.228 0.000 2.425 447 A HA 0.131 4.454 4.320 0.005 0.000 0.242 447 A C 0.873 178.714 177.584 0.428 0.000 1.077 447 A CA -0.080 52.154 52.037 0.329 0.000 0.781 447 A CB 0.252 19.303 19.000 0.085 0.000 1.020 447 A HN 0.839 nan 8.150 nan 0.000 0.494 448 L N 1.065 122.630 121.223 0.571 0.000 2.418 448 L HA 0.085 4.428 4.340 0.005 0.000 0.218 448 L C 0.941 177.971 176.870 0.268 0.000 1.125 448 L CA 1.111 56.111 54.840 0.266 0.000 0.835 448 L CB -0.479 41.531 42.059 -0.082 0.000 0.953 448 L HN 0.921 nan 8.230 nan 0.000 0.454 449 S N -3.887 111.993 115.700 0.301 0.000 2.643 449 S HA 0.013 4.486 4.470 0.005 0.000 0.266 449 S C -0.124 174.665 174.600 0.315 0.000 1.130 449 S CA -0.924 57.437 58.200 0.269 0.000 0.817 449 S CB 0.104 63.437 63.200 0.221 0.000 1.107 449 S HN 0.207 nan 8.310 nan 0.000 0.471 450 W N 1.281 122.665 121.300 0.140 0.000 2.335 450 W HA -0.165 4.498 4.660 0.005 0.000 0.311 450 W C 1.719 178.361 176.519 0.204 0.000 1.213 450 W CA 2.305 59.748 57.345 0.162 0.000 1.274 450 W CB -0.336 29.195 29.460 0.119 0.000 1.148 450 W HN 0.901 nan 8.180 nan 0.000 0.498 451 Q N -1.370 118.591 119.800 0.268 0.000 2.084 451 Q HA -0.278 4.065 4.340 0.005 0.000 0.202 451 Q C 2.356 178.461 176.000 0.176 0.000 0.978 451 Q CA 1.784 57.698 55.803 0.185 0.000 0.844 451 Q CB -0.826 28.041 28.738 0.216 0.000 0.898 451 Q HN 0.483 nan 8.270 nan 0.000 0.426 452 H N -0.237 118.893 119.070 0.100 0.000 2.353 452 H HA -0.099 4.460 4.556 0.005 0.000 0.300 452 H C 1.986 177.406 175.328 0.153 0.000 1.090 452 H CA 1.298 57.421 56.048 0.125 0.000 1.327 452 H CB 0.050 29.865 29.762 0.089 0.000 1.383 452 H HN 0.326 nan 8.280 nan 0.000 0.508 453 G N 0.322 109.071 108.800 -0.085 0.000 2.442 453 G HA2 -0.216 3.747 3.960 0.005 0.000 0.219 453 G HA3 -0.216 3.747 3.960 0.005 0.000 0.219 453 G C 1.856 176.618 174.900 -0.229 0.000 1.141 453 G CA 1.010 46.002 45.100 -0.180 0.000 0.763 453 G HN 0.349 nan 8.290 nan 0.000 0.554 454 V N 0.404 120.170 119.914 -0.247 0.000 2.358 454 V HA -0.106 4.017 4.120 0.005 0.000 0.246 454 V C 2.300 178.359 176.094 -0.058 0.000 1.047 454 V CA 1.696 63.923 62.300 -0.121 0.000 1.035 454 V CB -0.633 31.183 31.823 -0.011 0.000 0.658 454 V HN 0.421 nan 8.190 nan 0.000 0.452 455 F N 0.819 120.704 119.950 -0.109 0.000 2.126 455 F HA -0.188 4.342 4.527 0.005 0.000 0.299 455 F C 2.167 177.868 175.800 -0.166 0.000 1.096 455 F CA 1.807 59.768 58.000 -0.065 0.000 1.255 455 F CB -0.344 38.667 39.000 0.018 0.000 0.997 455 F HN -0.030 nan 8.300 nan 0.000 0.479 456 V N 0.669 120.351 119.914 -0.386 0.000 2.343 456 V HA -0.232 3.892 4.120 0.005 0.000 0.247 456 V C 2.794 178.432 176.094 -0.759 0.000 1.051 456 V CA 1.956 63.979 62.300 -0.462 0.000 1.036 456 V CB -1.639 30.045 31.823 -0.232 0.000 0.654 456 V HN 0.563 nan 8.190 nan 0.000 0.451 457 G N -0.359 107.681 108.800 -1.265 0.000 2.440 457 G HA2 -0.225 3.738 3.960 0.005 0.000 0.218 457 G HA3 -0.225 3.738 3.960 0.005 0.000 0.218 457 G C 1.729 175.989 174.900 -1.067 0.000 1.154 457 G CA 1.022 44.743 45.100 -2.298 0.000 0.767 457 G HN 0.617 nan 8.290 nan 0.000 0.552 458 A N 0.705 123.254 122.820 -0.452 0.000 2.015 458 A HA 0.412 4.736 4.320 0.005 0.000 0.219 458 A C 2.550 180.098 177.584 -0.059 0.000 1.163 458 A CA 1.921 54.027 52.037 0.115 0.000 0.646 458 A CB -0.356 18.754 19.000 0.183 0.000 0.806 458 A HN 0.772 nan 8.150 nan 0.000 0.448 459 A N -1.147 121.423 122.820 -0.416 0.000 2.275 459 A HA 0.427 4.750 4.320 0.005 0.000 0.212 459 A C 0.986 178.435 177.584 -0.224 0.000 1.201 459 A CA -0.289 51.538 52.037 -0.350 0.000 0.843 459 A CB -0.454 18.136 19.000 -0.683 0.000 0.873 459 A HN 0.503 nan 8.150 nan 0.000 0.492 460 M N 1.117 120.573 119.600 -0.240 0.000 2.261 460 M HA 0.069 4.552 4.480 0.005 0.000 0.350 460 M C 0.201 176.374 176.300 -0.211 0.000 1.343 460 M CA 1.012 56.215 55.300 -0.160 0.000 1.003 460 M CB 0.181 32.687 32.600 -0.158 0.000 1.848 460 M HN 0.312 nan 8.290 nan 0.000 0.456 461 R N 1.262 121.626 120.500 -0.226 0.000 2.888 461 R HA 0.787 5.130 4.340 0.005 0.000 0.266 461 R C -1.098 175.082 176.300 -0.201 0.000 1.020 461 R CA -0.917 54.978 56.100 -0.341 0.000 0.963 461 R CB 2.361 32.359 30.300 -0.504 0.000 1.197 461 R HN 0.652 nan 8.270 nan 0.000 0.481 462 S N 0.204 115.775 115.700 -0.215 0.000 2.579 462 S HA 0.081 4.554 4.470 0.005 0.000 0.290 462 S C -1.462 173.031 174.600 -0.178 0.000 1.123 462 S CA -0.785 57.309 58.200 -0.175 0.000 0.894 462 S CB 1.218 64.323 63.200 -0.158 0.000 1.095 462 S HN 0.563 nan 8.310 nan 0.000 0.450 463 E N 2.099 122.198 120.200 -0.169 0.000 2.568 463 E HA 0.170 4.523 4.350 0.005 0.000 0.262 463 E C 0.659 177.177 176.600 -0.137 0.000 0.961 463 E CA 0.583 56.895 56.400 -0.147 0.000 0.945 463 E CB 0.444 30.057 29.700 -0.144 0.000 0.924 463 E HN 0.707 nan 8.360 nan 0.000 0.467 464 A N 3.495 126.252 122.820 -0.106 0.000 2.531 464 A HA 0.174 4.497 4.320 0.005 0.000 0.236 464 A C 0.572 178.129 177.584 -0.045 0.000 1.062 464 A CA 0.300 52.296 52.037 -0.069 0.000 0.760 464 A CB 0.226 19.207 19.000 -0.031 0.000 0.995 464 A HN 0.659 nan 8.150 nan 0.000 0.501 465 T N -2.017 112.530 114.554 -0.012 0.000 2.807 465 T HA 0.668 5.022 4.350 0.005 0.000 0.277 465 T C 0.571 175.283 174.700 0.020 0.000 1.006 465 T CA -0.030 62.063 62.100 -0.012 0.000 1.006 465 T CB 1.478 70.336 68.868 -0.016 0.000 1.274 465 T HN 1.318 nan 8.240 nan 0.000 0.569 466 A N -0.551 122.272 122.820 0.005 0.000 2.307 466 A HA 0.517 4.841 4.320 0.005 0.000 0.218 466 A C 2.014 179.616 177.584 0.030 0.000 1.228 466 A CA 0.492 52.533 52.037 0.006 0.000 0.857 466 A CB -1.145 17.833 19.000 -0.038 0.000 0.897 466 A HN 1.057 nan 8.150 nan 0.000 0.495 467 G N -0.565 108.268 108.800 0.055 0.000 2.471 467 G HA2 0.268 4.231 3.960 0.005 0.000 0.219 467 G HA3 0.268 4.231 3.960 0.005 0.000 0.219 467 G C 0.761 175.709 174.900 0.081 0.000 1.125 467 G CA 1.266 46.419 45.100 0.090 0.000 0.775 467 G HN 0.841 nan 8.290 nan 0.000 0.548 468 A N -0.258 122.590 122.820 0.047 0.000 3.886 468 A HA 0.612 4.936 4.320 0.005 0.000 0.217 468 A C 1.143 178.667 177.584 -0.100 0.000 0.876 468 A CA 0.526 52.551 52.037 -0.020 0.000 0.726 468 A CB 0.078 19.062 19.000 -0.026 0.000 1.479 468 A HN 0.063 nan 8.150 nan 0.000 0.792 469 E N 0.789 120.828 120.200 -0.269 0.000 2.489 469 E HA -0.006 4.347 4.350 0.005 0.000 0.193 469 E C -0.646 175.807 176.600 -0.246 0.000 1.057 469 E CA 0.043 56.290 56.400 -0.255 0.000 0.866 469 E CB -0.320 29.233 29.700 -0.245 0.000 0.916 469 E HN 0.582 nan 8.360 nan 0.000 0.500 470 H N 1.890 120.955 119.070 -0.008 0.000 2.690 470 H HA 0.281 4.840 4.556 0.005 0.000 0.314 470 H C 0.294 175.613 175.328 -0.015 0.000 1.069 470 H CA -0.102 55.938 56.048 -0.013 0.000 1.436 470 H CB 0.936 30.683 29.762 -0.024 0.000 1.462 470 H HN -0.066 nan 8.280 nan 0.000 0.511 471 K N 1.278 121.737 120.400 0.097 0.000 2.168 471 K HA 0.474 4.797 4.320 0.005 0.000 0.239 471 K C 1.002 177.620 176.600 0.030 0.000 0.999 471 K CA -0.315 55.999 56.287 0.045 0.000 0.900 471 K CB 1.738 34.255 32.500 0.028 0.000 1.111 471 K HN 0.886 nan 8.250 nan 0.000 0.452 472 G N 1.246 110.053 108.800 0.010 0.000 2.645 472 G HA2 -0.316 3.648 3.960 0.005 0.000 0.239 472 G HA3 -0.316 3.648 3.960 0.005 0.000 0.239 472 G C -0.158 174.733 174.900 -0.015 0.000 1.331 472 G CA 0.495 45.594 45.100 -0.002 0.000 0.890 472 G HN 0.716 nan 8.290 nan 0.000 0.572 473 K N -0.989 119.396 120.400 -0.026 0.000 2.564 473 K HA 0.564 4.888 4.320 0.005 0.000 0.205 473 K C 0.608 177.175 176.600 -0.056 0.000 1.053 473 K CA 0.082 56.343 56.287 -0.042 0.000 1.072 473 K CB 0.919 33.395 32.500 -0.040 0.000 0.822 473 K HN 0.940 nan 8.250 nan 0.000 0.497 474 V N 2.139 122.021 119.914 -0.053 0.000 2.763 474 V HA 0.118 4.241 4.120 0.005 0.000 0.306 474 V C 0.075 176.109 176.094 -0.100 0.000 1.059 474 V CA -0.145 62.115 62.300 -0.066 0.000 1.138 474 V CB 0.195 31.985 31.823 -0.056 0.000 0.940 474 V HN 0.319 nan 8.190 nan 0.000 0.489 475 I N 8.350 128.852 120.570 -0.114 0.000 2.436 475 I HA 0.225 4.398 4.170 0.005 0.000 0.289 475 I C 0.343 176.337 176.117 -0.206 0.000 1.083 475 I CA 0.431 61.635 61.300 -0.159 0.000 1.372 475 I CB 0.531 38.437 38.000 -0.156 0.000 1.408 475 I HN 0.517 nan 8.210 nan 0.000 0.516 476 M N 5.145 124.602 119.600 -0.238 0.000 2.662 476 M HA 0.403 4.887 4.480 0.005 0.000 0.310 476 M C -0.171 175.913 176.300 -0.361 0.000 1.204 476 M CA -0.746 54.399 55.300 -0.258 0.000 0.891 476 M CB 1.585 34.053 32.600 -0.220 0.000 1.732 476 M HN 0.387 nan 8.290 nan 0.000 0.467 477 H N 1.205 120.066 119.070 -0.348 0.000 2.886 477 H HA 0.108 4.668 4.556 0.005 0.000 0.329 477 H C -0.656 174.501 175.328 -0.285 0.000 1.044 477 H CA 0.864 56.639 56.048 -0.454 0.000 1.456 477 H CB 0.668 29.838 29.762 -0.987 0.000 1.464 477 H HN 0.365 nan 8.280 nan 0.000 0.573 478 D N 4.594 124.907 120.400 -0.144 0.000 2.714 478 D HA 0.164 4.807 4.640 0.005 0.000 0.264 478 D C -2.702 173.563 176.300 -0.059 0.000 1.231 478 D CA -1.700 52.244 54.000 -0.094 0.000 0.802 478 D CB 0.827 41.576 40.800 -0.084 0.000 1.319 478 D HN 0.252 nan 8.370 nan 0.000 0.528 479 P HA 0.061 nan 4.420 nan 0.000 0.263 479 P C 0.288 177.716 177.300 0.214 0.000 1.195 479 P CA -0.031 63.104 63.100 0.058 0.000 0.762 479 P CB 0.079 31.783 31.700 0.006 0.000 0.799 480 F N 1.648 121.525 119.950 -0.121 0.000 2.973 480 F HA -0.311 4.219 4.527 0.005 0.000 0.299 480 F C 1.434 177.307 175.800 0.122 0.000 0.737 480 F CA 1.128 59.127 58.000 -0.002 0.000 1.151 480 F CB -2.513 36.598 39.000 0.185 0.000 1.440 480 F HN 0.570 nan 8.300 nan 0.000 0.367 481 A N -1.561 121.366 122.820 0.179 0.000 2.861 481 A HA -0.301 4.023 4.320 0.005 0.000 0.261 481 A C 1.313 179.068 177.584 0.285 0.000 1.351 481 A CA 1.677 53.847 52.037 0.221 0.000 0.904 481 A CB -1.507 17.622 19.000 0.216 0.000 1.076 481 A HN 0.427 nan 8.150 nan 0.000 0.729 482 M N -1.406 118.184 119.600 -0.016 0.000 2.346 482 M HA 0.149 4.633 4.480 0.005 0.000 0.280 482 M C 1.578 177.291 176.300 -0.978 0.000 1.075 482 M CA 0.449 55.494 55.300 -0.425 0.000 0.989 482 M CB -0.367 31.726 32.600 -0.845 0.000 1.447 482 M HN 0.622 nan 8.290 nan 0.000 0.511 483 R N 1.847 122.033 120.500 -0.523 0.000 2.119 483 R HA -0.161 4.182 4.340 0.005 0.000 0.246 483 R C -1.096 174.928 176.300 -0.460 0.000 1.146 483 R CA 1.803 57.680 56.100 -0.373 0.000 0.962 483 R CB -0.816 29.382 30.300 -0.170 0.000 0.863 483 R HN 0.186 nan 8.270 nan 0.000 0.442 484 P HA 0.051 nan 4.420 nan 0.000 0.255 484 P C -0.220 176.500 177.300 -0.967 0.000 1.248 484 P CA 0.808 63.350 63.100 -0.930 0.000 0.807 484 P CB 0.257 31.125 31.700 -1.387 0.000 1.150 485 F N -3.599 116.155 119.950 -0.328 0.000 2.798 485 F HA 0.311 4.842 4.527 0.006 0.000 0.328 485 F C 0.523 176.151 175.800 -0.286 0.000 1.098 485 F CA -0.903 56.918 58.000 -0.298 0.000 1.172 485 F CB -0.611 38.214 39.000 -0.292 0.000 1.072 485 F HN -0.316 nan 8.300 nan 0.000 0.555 486 F N 1.215 121.124 119.950 -0.068 0.000 2.602 486 F HA 0.308 4.837 4.527 0.005 0.000 0.385 486 F C 1.694 177.455 175.800 -0.064 0.000 1.063 486 F CA -0.146 57.760 58.000 -0.156 0.000 1.233 486 F CB 0.297 39.123 39.000 -0.290 0.000 1.067 486 F HN 0.110 nan 8.300 nan 0.000 0.564 487 G N 2.995 111.936 108.800 0.235 0.000 2.813 487 G HA2 0.105 4.068 3.960 0.005 0.000 0.209 487 G HA3 0.105 4.068 3.960 0.005 0.000 0.209 487 G C -0.436 174.669 174.900 0.341 0.000 1.150 487 G CA 0.606 45.853 45.100 0.247 0.000 0.785 487 G HN 0.685 nan 8.290 nan 0.000 0.535 488 Y N -3.003 117.365 120.300 0.112 0.000 2.788 488 Y HA 0.457 5.010 4.550 0.005 0.000 0.335 488 Y C -0.702 175.216 175.900 0.031 0.000 1.287 488 Y CA -2.374 55.762 58.100 0.061 0.000 1.068 488 Y CB 0.099 38.574 38.460 0.026 0.000 1.340 488 Y HN -0.160 nan 8.280 nan 0.000 0.449 489 N N 1.770 120.489 118.700 0.032 0.000 2.315 489 N HA -0.128 4.616 4.740 0.005 0.000 0.270 489 N C 0.580 175.912 175.510 -0.296 0.000 1.329 489 N CA 0.435 53.429 53.050 -0.093 0.000 0.860 489 N CB 0.084 38.576 38.487 0.008 0.000 1.095 489 N HN 0.789 nan 8.380 nan 0.000 0.487 490 F N 4.703 124.295 119.950 -0.597 0.000 2.161 490 F HA -0.019 4.511 4.527 0.005 0.000 0.300 490 F C 2.010 177.588 175.800 -0.371 0.000 1.089 490 F CA 1.916 59.411 58.000 -0.843 0.000 1.282 490 F CB -0.668 37.720 39.000 -1.020 0.000 1.010 490 F HN 0.557 nan 8.300 nan 0.000 0.485 491 G N 0.792 109.329 108.800 -0.438 0.000 2.440 491 G HA2 -0.262 3.701 3.960 0.005 0.000 0.218 491 G HA3 -0.262 3.701 3.960 0.005 0.000 0.218 491 G C 1.814 176.595 174.900 -0.197 0.000 1.154 491 G CA 0.794 45.666 45.100 -0.379 0.000 0.767 491 G HN 0.247 nan 8.290 nan 0.000 0.552 492 K N -0.216 120.144 120.400 -0.067 0.000 2.097 492 K HA -0.084 4.239 4.320 0.005 0.000 0.205 492 K C 2.098 178.842 176.600 0.240 0.000 1.050 492 K CA 0.956 57.312 56.287 0.114 0.000 0.938 492 K CB -0.593 32.049 32.500 0.235 0.000 0.718 492 K HN 0.515 nan 8.250 nan 0.000 0.442 493 Y N 2.084 122.365 120.300 -0.032 0.000 2.181 493 Y HA -0.192 4.361 4.550 0.006 0.000 0.288 493 Y C 2.060 178.014 175.900 0.090 0.000 1.146 493 Y CA 1.311 59.441 58.100 0.050 0.000 1.164 493 Y CB -0.372 37.910 38.460 -0.296 0.000 0.982 493 Y HN -0.098 nan 8.280 nan 0.000 0.515 494 L N -0.054 121.130 121.223 -0.066 0.000 2.012 494 L HA -0.287 4.057 4.340 0.005 0.000 0.210 494 L C 2.845 179.755 176.870 0.067 0.000 1.073 494 L CA 1.383 56.157 54.840 -0.109 0.000 0.748 494 L CB -1.107 40.779 42.059 -0.289 0.000 0.891 494 L HN 0.377 nan 8.230 nan 0.000 0.431 495 A N -0.771 122.094 122.820 0.074 0.000 1.902 495 A HA -0.304 4.019 4.320 0.005 0.000 0.217 495 A C 2.112 179.814 177.584 0.197 0.000 1.181 495 A CA 2.015 54.132 52.037 0.133 0.000 0.623 495 A CB -0.840 18.221 19.000 0.102 0.000 0.818 495 A HN 0.525 nan 8.150 nan 0.000 0.443 496 H N -2.115 117.014 119.070 0.097 0.000 2.321 496 H HA -0.194 4.365 4.556 0.005 0.000 0.300 496 H C 1.764 177.138 175.328 0.076 0.000 1.087 496 H CA 2.188 58.272 56.048 0.060 0.000 1.319 496 H CB -0.390 29.399 29.762 0.045 0.000 1.379 496 H HN 0.631 nan 8.280 nan 0.000 0.501 497 W N 0.457 121.700 121.300 -0.095 0.000 2.358 497 W HA -0.106 4.557 4.660 0.005 0.000 0.303 497 W C 2.469 179.169 176.519 0.303 0.000 1.208 497 W CA 1.340 58.695 57.345 0.016 0.000 1.274 497 W CB -0.479 28.920 29.460 -0.102 0.000 1.138 497 W HN 0.193 nan 8.180 nan 0.000 0.515 498 L N 0.105 121.603 121.223 0.458 0.000 2.083 498 L HA -0.262 4.081 4.340 0.005 0.000 0.209 498 L C 2.692 179.786 176.870 0.374 0.000 1.083 498 L CA 1.727 56.845 54.840 0.463 0.000 0.752 498 L CB -1.209 41.043 42.059 0.322 0.000 0.899 498 L HN 0.018 nan 8.230 nan 0.000 0.433 499 S N -0.522 115.330 115.700 0.254 0.000 2.442 499 S HA -0.205 4.269 4.470 0.005 0.000 0.236 499 S C 1.956 176.581 174.600 0.042 0.000 1.007 499 S CA 0.923 59.247 58.200 0.207 0.000 0.965 499 S CB -0.412 62.857 63.200 0.115 0.000 0.773 499 S HN 0.346 nan 8.310 nan 0.000 0.504 500 M N 1.609 121.192 119.600 -0.029 0.000 2.144 500 M HA -0.093 4.391 4.480 0.005 0.000 0.260 500 M C 2.594 178.597 176.300 -0.496 0.000 1.067 500 M CA 1.698 56.859 55.300 -0.232 0.000 1.095 500 M CB -0.718 31.830 32.600 -0.086 0.000 1.365 500 M HN 0.567 nan 8.290 nan 0.000 0.406 501 A N -1.124 121.393 122.820 -0.505 0.000 2.172 501 A HA -0.151 4.172 4.320 0.005 0.000 0.216 501 A C 1.352 178.630 177.584 -0.511 0.000 1.154 501 A CA 1.357 53.019 52.037 -0.625 0.000 0.701 501 A CB -0.984 17.720 19.000 -0.494 0.000 0.789 501 A HN 0.597 nan 8.150 nan 0.000 0.465 502 H N -0.740 118.216 119.070 -0.190 0.000 2.575 502 H HA 0.127 4.687 4.556 0.005 0.000 0.267 502 H C 0.996 176.222 175.328 -0.170 0.000 0.966 502 H CA 0.094 56.061 56.048 -0.135 0.000 1.165 502 H CB 0.249 29.968 29.762 -0.071 0.000 1.433 502 H HN 0.591 nan 8.280 nan 0.000 0.544 503 R N 1.216 121.609 120.500 -0.178 0.000 2.553 503 R HA 0.359 4.702 4.340 0.005 0.000 0.263 503 R C -2.681 173.481 176.300 -0.231 0.000 1.066 503 R CA -2.063 53.917 56.100 -0.200 0.000 1.135 503 R CB -0.333 29.816 30.300 -0.251 0.000 1.148 503 R HN -0.147 nan 8.270 nan 0.000 0.558 504 P HA 0.121 nan 4.420 nan 0.000 0.276 504 P C -0.303 176.903 177.300 -0.157 0.000 1.243 504 P CA 0.299 63.319 63.100 -0.133 0.000 0.768 504 P CB 1.285 32.935 31.700 -0.084 0.000 0.856 505 A N 2.402 125.138 122.820 -0.140 0.000 2.945 505 A HA -0.116 4.207 4.320 0.005 0.000 0.263 505 A C 0.919 178.403 177.584 -0.167 0.000 1.293 505 A CA 0.698 52.663 52.037 -0.120 0.000 0.944 505 A CB -2.384 16.573 19.000 -0.073 0.000 1.093 505 A HN 0.880 nan 8.150 nan 0.000 0.786 506 A N -0.212 122.421 122.820 -0.312 0.000 2.566 506 A HA 0.401 4.724 4.320 0.005 0.000 0.245 506 A C 0.521 177.956 177.584 -0.249 0.000 1.056 506 A CA 1.150 52.882 52.037 -0.508 0.000 0.757 506 A CB -0.104 18.337 19.000 -0.932 0.000 0.979 506 A HN 0.551 nan 8.150 nan 0.000 0.508 507 K N 3.152 123.532 120.400 -0.034 0.000 2.296 507 K HA 0.370 4.693 4.320 0.005 0.000 0.257 507 K C -0.859 175.800 176.600 0.098 0.000 1.088 507 K CA 0.104 56.410 56.287 0.031 0.000 0.980 507 K CB 0.570 33.111 32.500 0.069 0.000 1.430 507 K HN 0.656 nan 8.250 nan 0.000 0.441 508 L N 5.133 126.332 121.223 -0.040 0.000 2.367 508 L HA 0.223 4.566 4.340 0.005 0.000 0.275 508 L C -1.539 175.398 176.870 0.112 0.000 1.129 508 L CA -1.813 52.984 54.840 -0.072 0.000 0.839 508 L CB 0.011 41.846 42.059 -0.373 0.000 1.133 508 L HN 0.367 nan 8.230 nan 0.000 0.453 509 P HA 0.047 nan 4.420 nan 0.000 0.272 509 P C -0.801 176.658 177.300 0.265 0.000 1.230 509 P CA -0.519 62.724 63.100 0.239 0.000 0.788 509 P CB 0.806 32.666 31.700 0.267 0.000 0.949 510 K N 1.559 122.027 120.400 0.114 0.000 2.382 510 K HA 0.262 4.585 4.320 0.005 0.000 0.275 510 K C -0.304 176.196 176.600 -0.167 0.000 1.009 510 K CA -0.151 56.092 56.287 -0.074 0.000 0.970 510 K CB 0.008 32.389 32.500 -0.199 0.000 0.934 510 K HN 0.387 nan 8.250 nan 0.000 0.479 511 I N 4.920 125.305 120.570 -0.307 0.000 2.406 511 I HA 0.304 4.478 4.170 0.005 0.000 0.290 511 I C -0.852 174.981 176.117 -0.473 0.000 0.999 511 I CA -0.722 60.422 61.300 -0.260 0.000 1.124 511 I CB 0.936 38.877 38.000 -0.098 0.000 1.289 511 I HN 0.481 nan 8.210 nan 0.000 0.441 512 F N 3.876 123.810 119.950 -0.028 0.000 2.575 512 F HA 0.525 5.055 4.527 0.005 0.000 0.330 512 F C 0.151 175.888 175.800 -0.106 0.000 1.056 512 F CA -0.703 57.283 58.000 -0.024 0.000 0.964 512 F CB 1.355 40.373 39.000 0.030 0.000 1.258 512 F HN 0.364 nan 8.300 nan 0.000 0.484 513 H N 1.130 120.085 119.070 -0.192 0.000 2.667 513 H HA 0.658 5.217 4.556 0.005 0.000 0.353 513 H C -1.607 173.510 175.328 -0.352 0.000 1.072 513 H CA -0.625 55.198 56.048 -0.375 0.000 1.214 513 H CB 1.875 31.165 29.762 -0.787 0.000 1.600 513 H HN 0.562 nan 8.280 nan 0.000 0.527 514 V N 2.819 122.358 119.914 -0.626 0.000 2.960 514 V HA 0.547 4.670 4.120 0.005 0.000 0.315 514 V C -0.489 175.164 176.094 -0.735 0.000 1.087 514 V CA -0.999 60.895 62.300 -0.676 0.000 0.982 514 V CB 2.019 33.134 31.823 -1.180 0.000 1.039 514 V HN 0.755 nan 8.190 nan 0.000 0.437 515 N N 1.472 119.844 118.700 -0.546 0.000 2.577 515 N HA 0.419 5.163 4.740 0.005 0.000 0.275 515 N C -0.391 174.963 175.510 -0.260 0.000 1.091 515 N CA -0.685 52.150 53.050 -0.359 0.000 0.843 515 N CB 1.109 39.554 38.487 -0.070 0.000 1.295 515 N HN 0.929 nan 8.380 nan 0.000 0.530 516 W N 2.000 123.007 121.300 -0.489 0.000 3.047 516 W HA 0.197 4.861 4.660 0.005 0.000 0.250 516 W C 0.065 176.104 176.519 -0.800 0.000 1.314 516 W CA -0.342 56.525 57.345 -0.796 0.000 1.540 516 W CB 0.223 28.875 29.460 -1.347 0.000 1.127 516 W HN 0.443 nan 8.180 nan 0.000 0.679 517 F N -0.139 119.828 119.950 0.028 0.000 2.735 517 F HA 0.293 4.824 4.527 0.006 0.000 0.308 517 F C 1.146 177.097 175.800 0.251 0.000 1.112 517 F CA -0.755 57.322 58.000 0.128 0.000 1.235 517 F CB -0.267 38.792 39.000 0.099 0.000 1.027 517 F HN -0.390 nan 8.300 nan 0.000 0.528 518 R N 2.083 122.733 120.500 0.250 0.000 2.491 518 R HA 0.289 4.632 4.340 0.005 0.000 0.283 518 R C -0.425 175.997 176.300 0.203 0.000 1.072 518 R CA 0.202 56.392 56.100 0.150 0.000 1.048 518 R CB 0.595 30.902 30.300 0.012 0.000 0.983 518 R HN 0.126 nan 8.270 nan 0.000 0.450 519 K N 2.130 122.592 120.400 0.103 0.000 2.328 519 K HA 0.178 4.501 4.320 0.005 0.000 0.246 519 K C -0.750 175.853 176.600 0.005 0.000 0.955 519 K CA -1.007 55.308 56.287 0.046 0.000 0.817 519 K CB 1.487 33.959 32.500 -0.048 0.000 1.208 519 K HN 0.656 nan 8.250 nan 0.000 0.432 520 D N 0.590 120.989 120.400 -0.001 0.000 2.440 520 D HA 0.040 4.683 4.640 0.005 0.000 0.269 520 D C 0.287 176.574 176.300 -0.020 0.000 1.249 520 D CA -0.222 53.774 54.000 -0.007 0.000 1.055 520 D CB 0.458 41.260 40.800 0.003 0.000 1.104 520 D HN 0.306 nan 8.370 nan 0.000 0.561 521 K N -1.093 119.298 120.400 -0.015 0.000 2.555 521 K HA 0.057 4.380 4.320 0.005 0.000 0.193 521 K C 0.711 177.299 176.600 -0.021 0.000 1.032 521 K CA 0.343 56.620 56.287 -0.016 0.000 1.004 521 K CB -0.127 32.368 32.500 -0.009 0.000 0.804 521 K HN 0.272 nan 8.250 nan 0.000 0.496 522 N N -0.164 118.520 118.700 -0.026 0.000 2.254 522 N HA 0.024 4.767 4.740 0.005 0.000 0.190 522 N C 0.892 176.371 175.510 -0.051 0.000 1.107 522 N CA 0.831 53.863 53.050 -0.031 0.000 0.869 522 N CB 1.372 39.845 38.487 -0.023 0.000 0.983 522 N HN 0.317 nan 8.380 nan 0.000 0.487 523 G N 1.400 110.159 108.800 -0.068 0.000 2.141 523 G HA2 -0.289 3.674 3.960 0.005 0.000 0.242 523 G HA3 -0.289 3.674 3.960 0.005 0.000 0.242 523 G C 0.081 174.874 174.900 -0.180 0.000 0.982 523 G CA 0.136 45.166 45.100 -0.116 0.000 0.662 523 G HN 0.406 nan 8.290 nan 0.000 0.527 524 K N 0.276 120.605 120.400 -0.118 0.000 2.234 524 K HA 0.591 4.914 4.320 0.005 0.000 0.282 524 K C 0.248 176.811 176.600 -0.061 0.000 1.039 524 K CA -0.912 55.312 56.287 -0.104 0.000 0.928 524 K CB 0.226 32.710 32.500 -0.026 0.000 1.039 524 K HN 0.014 nan 8.250 nan 0.000 0.470 525 F N 4.435 124.409 119.950 0.039 0.000 2.608 525 F HA -0.055 4.476 4.527 0.005 0.000 0.380 525 F C 1.332 177.154 175.800 0.036 0.000 1.083 525 F CA -0.255 57.772 58.000 0.046 0.000 1.266 525 F CB 0.463 39.493 39.000 0.049 0.000 1.076 525 F HN 0.499 nan 8.300 nan 0.000 0.574 526 L N 3.712 125.094 121.223 0.265 0.000 2.418 526 L HA -0.041 4.302 4.340 0.005 0.000 0.218 526 L C 0.270 177.268 176.870 0.214 0.000 1.125 526 L CA 0.501 55.440 54.840 0.166 0.000 0.835 526 L CB 0.023 42.135 42.059 0.088 0.000 0.953 526 L HN 0.583 nan 8.230 nan 0.000 0.454 527 W N 1.662 122.943 121.300 -0.032 0.000 2.739 527 W HA 0.264 4.928 4.660 0.005 0.000 0.331 527 W C -1.951 174.470 176.519 -0.164 0.000 1.049 527 W CA -1.740 55.530 57.345 -0.125 0.000 1.234 527 W CB 2.122 31.470 29.460 -0.188 0.000 1.404 527 W HN -0.182 nan 8.180 nan 0.000 0.477 528 P HA -0.022 nan 4.420 nan 0.000 0.218 528 P C 0.956 177.933 177.300 -0.540 0.000 1.149 528 P CA 2.004 64.794 63.100 -0.517 0.000 0.817 528 P CB 0.546 31.911 31.700 -0.558 0.000 0.785 529 G N -0.784 107.446 108.800 -0.951 0.000 2.598 529 G HA2 -0.250 3.714 3.960 0.005 0.000 0.244 529 G HA3 -0.250 3.714 3.960 0.005 0.000 0.244 529 G C 0.088 174.655 174.900 -0.556 0.000 1.302 529 G CA -0.200 44.432 45.100 -0.780 0.000 0.903 529 G HN 0.157 nan 8.290 nan 0.000 0.575 530 F N -1.749 117.870 119.950 -0.552 0.000 2.756 530 F HA -0.304 4.226 4.527 0.005 0.000 0.240 530 F C 2.775 178.369 175.800 -0.344 0.000 1.487 530 F CA 3.019 60.791 58.000 -0.380 0.000 1.859 530 F CB -1.709 37.129 39.000 -0.269 0.000 1.319 530 F HN 1.675 nan 8.300 nan 0.000 0.230 531 G N -0.439 108.348 108.800 -0.022 0.000 2.462 531 G HA2 -0.190 3.773 3.960 0.005 0.000 0.220 531 G HA3 -0.190 3.773 3.960 0.005 0.000 0.220 531 G C 1.185 175.984 174.900 -0.168 0.000 1.121 531 G CA 1.252 46.294 45.100 -0.097 0.000 0.758 531 G HN 0.544 nan 8.290 nan 0.000 0.559 532 E N 1.157 121.207 120.200 -0.249 0.000 2.338 532 E HA -0.057 4.296 4.350 0.005 0.000 0.197 532 E C 1.998 178.513 176.600 -0.142 0.000 1.007 532 E CA 0.224 56.441 56.400 -0.305 0.000 0.849 532 E CB -0.269 29.049 29.700 -0.637 0.000 0.774 532 E HN 0.335 nan 8.360 nan 0.000 0.506 533 N N 0.980 119.542 118.700 -0.230 0.000 2.519 533 N HA -0.118 4.626 4.740 0.005 0.000 0.186 533 N C 1.687 177.100 175.510 -0.162 0.000 1.062 533 N CA 1.046 53.925 53.050 -0.285 0.000 0.910 533 N CB -0.316 37.654 38.487 -0.862 0.000 0.958 533 N HN 0.193 nan 8.380 nan 0.000 0.445 534 S N 0.711 116.309 115.700 -0.170 0.000 2.419 534 S HA -0.110 4.363 4.470 0.005 0.000 0.235 534 S C 1.795 176.209 174.600 -0.309 0.000 1.019 534 S CA 0.652 58.703 58.200 -0.248 0.000 0.982 534 S CB -0.173 62.871 63.200 -0.259 0.000 0.789 534 S HN 0.299 nan 8.310 nan 0.000 0.490 535 R N 0.439 120.867 120.500 -0.119 0.000 2.148 535 R HA 0.133 4.476 4.340 0.005 0.000 0.223 535 R C 2.149 178.442 176.300 -0.012 0.000 1.088 535 R CA 1.104 57.171 56.100 -0.054 0.000 0.985 535 R CB -0.502 29.888 30.300 0.150 0.000 0.880 535 R HN 0.355 nan 8.270 nan 0.000 0.451 536 V N 1.100 121.024 119.914 0.017 0.000 2.407 536 V HA -0.130 3.993 4.120 0.005 0.000 0.245 536 V C 2.168 178.285 176.094 0.039 0.000 1.041 536 V CA 1.344 63.672 62.300 0.047 0.000 1.040 536 V CB -0.310 31.569 31.823 0.093 0.000 0.671 536 V HN 0.266 nan 8.190 nan 0.000 0.455 537 L N 0.165 121.359 121.223 -0.048 0.000 2.131 537 L HA -0.203 4.140 4.340 0.005 0.000 0.210 537 L C 2.574 179.358 176.870 -0.143 0.000 1.092 537 L CA 1.938 56.728 54.840 -0.083 0.000 0.759 537 L CB -0.554 41.452 42.059 -0.088 0.000 0.903 537 L HN 0.495 nan 8.230 nan 0.000 0.435 538 E N -0.077 119.909 120.200 -0.357 0.000 2.077 538 E HA -0.295 4.058 4.350 0.005 0.000 0.193 538 E C 2.135 178.769 176.600 0.056 0.000 0.989 538 E CA 1.579 57.738 56.400 -0.401 0.000 0.800 538 E CB -0.251 29.126 29.700 -0.538 0.000 0.746 538 E HN 0.472 nan 8.360 nan 0.000 0.452 539 W N 0.959 122.209 121.300 -0.084 0.000 2.358 539 W HA -0.138 4.525 4.660 0.005 0.000 0.303 539 W C 2.078 178.593 176.519 -0.008 0.000 1.208 539 W CA 1.789 59.126 57.345 -0.015 0.000 1.274 539 W CB -0.173 29.267 29.460 -0.035 0.000 1.138 539 W HN 0.075 nan 8.180 nan 0.000 0.515 540 M N -1.076 118.438 119.600 -0.144 0.000 2.117 540 M HA -0.169 4.314 4.480 0.005 0.000 0.262 540 M C 2.140 178.357 176.300 -0.138 0.000 1.065 540 M CA 1.707 56.703 55.300 -0.506 0.000 1.114 540 M CB -0.988 31.164 32.600 -0.748 0.000 1.361 540 M HN 0.009 nan 8.290 nan 0.000 0.408 541 F N 0.943 120.836 119.950 -0.095 0.000 2.069 541 F HA -0.150 4.380 4.527 0.005 0.000 0.298 541 F C 2.303 178.116 175.800 0.021 0.000 1.113 541 F CA 2.004 60.037 58.000 0.055 0.000 1.214 541 F CB -0.887 38.262 39.000 0.249 0.000 0.978 541 F HN 0.100 nan 8.300 nan 0.000 0.474 542 G N -0.124 108.841 108.800 0.274 0.000 2.422 542 G HA2 -0.207 3.757 3.960 0.005 0.000 0.218 542 G HA3 -0.207 3.757 3.960 0.005 0.000 0.218 542 G C 1.849 176.716 174.900 -0.055 0.000 1.146 542 G CA 0.400 45.579 45.100 0.131 0.000 0.769 542 G HN 0.154 nan 8.290 nan 0.000 0.547 543 R N 0.205 120.565 120.500 -0.233 0.000 2.081 543 R HA 0.066 4.409 4.340 0.005 0.000 0.235 543 R C 2.574 178.822 176.300 -0.087 0.000 1.131 543 R CA 0.636 56.586 56.100 -0.251 0.000 0.960 543 R CB -0.785 29.263 30.300 -0.420 0.000 0.856 543 R HN 0.442 nan 8.270 nan 0.000 0.436 544 I N 1.107 121.665 120.570 -0.020 0.000 2.208 544 I HA -0.259 3.914 4.170 0.005 0.000 0.245 544 I C 1.847 177.929 176.117 -0.058 0.000 1.097 544 I CA 1.442 62.725 61.300 -0.028 0.000 1.363 544 I CB -0.269 37.690 38.000 -0.069 0.000 1.051 544 I HN 0.217 nan 8.210 nan 0.000 0.413 545 E N 0.366 120.536 120.200 -0.050 0.000 2.418 545 E HA -0.046 4.307 4.350 0.005 0.000 0.197 545 E C 1.385 177.978 176.600 -0.011 0.000 1.026 545 E CA 0.639 57.032 56.400 -0.012 0.000 0.862 545 E CB 0.032 29.768 29.700 0.060 0.000 0.799 545 E HN 0.652 nan 8.360 nan 0.000 0.518 546 G N 2.110 110.889 108.800 -0.034 0.000 2.134 546 G HA2 -0.248 3.715 3.960 0.005 0.000 0.209 546 G HA3 -0.248 3.715 3.960 0.005 0.000 0.209 546 G C -0.089 174.788 174.900 -0.039 0.000 0.993 546 G CA -0.052 45.022 45.100 -0.043 0.000 0.669 546 G HN 0.192 nan 8.290 nan 0.000 0.519 547 E N 0.673 120.851 120.200 -0.037 0.000 2.502 547 E HA 0.298 4.651 4.350 0.005 0.000 0.261 547 E C 0.437 177.018 176.600 -0.032 0.000 0.974 547 E CA 0.030 56.417 56.400 -0.020 0.000 0.936 547 E CB 0.482 30.173 29.700 -0.015 0.000 0.926 547 E HN 0.188 nan 8.360 nan 0.000 0.459 548 D N 2.013 122.415 120.400 0.003 0.000 2.801 548 D HA 0.042 4.685 4.640 0.005 0.000 0.232 548 D C -0.269 176.069 176.300 0.063 0.000 1.128 548 D CA 0.113 54.122 54.000 0.015 0.000 1.003 548 D CB -0.475 40.337 40.800 0.021 0.000 1.110 548 D HN 0.281 nan 8.370 nan 0.000 0.477 549 S N -0.469 115.286 115.700 0.092 0.000 2.663 549 S HA 0.565 5.038 4.470 0.005 0.000 0.243 549 S C 0.411 175.271 174.600 0.432 0.000 1.009 549 S CA -0.606 57.737 58.200 0.238 0.000 0.988 549 S CB 0.660 64.017 63.200 0.263 0.000 0.896 549 S HN 0.254 nan 8.310 nan 0.000 0.502 550 A N 2.033 125.034 122.820 0.301 0.000 2.374 550 A HA 0.769 5.092 4.320 0.005 0.000 0.317 550 A C -0.457 177.304 177.584 0.296 0.000 1.094 550 A CA -0.919 51.368 52.037 0.417 0.000 0.765 550 A CB 1.382 20.561 19.000 0.298 0.000 1.268 550 A HN 0.519 nan 8.150 nan 0.000 0.438 551 K N 1.754 122.345 120.400 0.318 0.000 2.316 551 K HA 0.686 5.009 4.320 0.005 0.000 0.251 551 K C -1.311 175.470 176.600 0.301 0.000 0.934 551 K CA -0.743 55.698 56.287 0.257 0.000 0.802 551 K CB 1.719 34.294 32.500 0.125 0.000 1.171 551 K HN 0.480 nan 8.250 nan 0.000 0.426 552 L N 2.877 124.234 121.223 0.225 0.000 2.367 552 L HA 0.272 4.615 4.340 0.005 0.000 0.275 552 L C -0.371 176.458 176.870 -0.069 0.000 1.129 552 L CA 0.979 55.818 54.840 -0.002 0.000 0.839 552 L CB 0.987 43.027 42.059 -0.032 0.000 1.133 552 L HN 1.000 nan 8.230 nan 0.000 0.453 553 T N 1.372 115.831 114.554 -0.160 0.000 2.864 553 T HA 0.589 4.942 4.350 0.005 0.000 0.289 553 T C -2.130 172.413 174.700 -0.262 0.000 1.082 553 T CA -1.517 60.474 62.100 -0.181 0.000 1.009 553 T CB 1.427 70.181 68.868 -0.189 0.000 1.234 553 T HN 0.380 nan 8.240 nan 0.000 0.526 554 P HA 0.049 nan 4.420 nan 0.000 0.219 554 P C 1.429 178.484 177.300 -0.407 0.000 1.146 554 P CA 0.825 63.739 63.100 -0.311 0.000 0.808 554 P CB -0.242 31.289 31.700 -0.282 0.000 0.779 555 I N -6.174 114.072 120.570 -0.541 0.000 3.860 555 I HA 0.441 4.614 4.170 0.005 0.000 0.319 555 I C 0.835 176.750 176.117 -0.337 0.000 1.279 555 I CA 0.143 61.061 61.300 -0.636 0.000 1.220 555 I CB 0.039 37.286 38.000 -1.254 0.000 1.027 555 I HN -0.062 nan 8.210 nan 0.000 0.428 556 G N 0.412 109.057 108.800 -0.259 0.000 2.340 556 G HA2 0.064 4.027 3.960 0.005 0.000 0.282 556 G HA3 0.064 4.027 3.960 0.005 0.000 0.282 556 G C -1.642 173.208 174.900 -0.084 0.000 1.312 556 G CA -0.932 44.141 45.100 -0.044 0.000 0.942 556 G HN 0.133 nan 8.290 nan 0.000 0.495 557 Y N 0.003 120.463 120.300 0.267 0.000 2.304 557 Y HA 0.500 5.054 4.550 0.005 0.000 0.328 557 Y C 1.248 177.360 175.900 0.353 0.000 1.123 557 Y CA 0.176 58.445 58.100 0.281 0.000 1.218 557 Y CB 1.600 40.264 38.460 0.339 0.000 1.207 557 Y HN 0.668 nan 8.280 nan 0.000 0.495 558 V N 0.567 120.696 119.914 0.359 0.000 3.103 558 V HA 0.700 4.823 4.120 0.005 0.000 0.318 558 V C -2.909 173.172 176.094 -0.022 0.000 1.114 558 V CA -3.568 58.799 62.300 0.111 0.000 1.020 558 V CB 1.754 33.592 31.823 0.024 0.000 1.085 558 V HN 0.449 nan 8.190 nan 0.000 0.446 559 P HA 0.196 nan 4.420 nan 0.000 0.265 559 P C -0.607 176.575 177.300 -0.197 0.000 1.193 559 P CA 0.105 62.879 63.100 -0.543 0.000 0.765 559 P CB 0.193 31.288 31.700 -1.008 0.000 0.823 560 K N 1.993 122.391 120.400 -0.002 0.000 2.336 560 K HA 0.046 4.369 4.320 0.005 0.000 0.262 560 K C 0.341 176.870 176.600 -0.118 0.000 0.992 560 K CA -0.111 56.163 56.287 -0.021 0.000 0.927 560 K CB 0.173 32.706 32.500 0.055 0.000 0.956 560 K HN 0.454 nan 8.250 nan 0.000 0.495 561 E N 2.017 122.151 120.200 -0.110 0.000 2.608 561 E HA -0.187 4.166 4.350 0.005 0.000 0.259 561 E C -0.428 176.122 176.600 -0.083 0.000 0.951 561 E CA 0.559 56.884 56.400 -0.124 0.000 0.945 561 E CB 0.138 29.795 29.700 -0.071 0.000 0.916 561 E HN 0.538 nan 8.360 nan 0.000 0.477 562 D N 0.850 121.192 120.400 -0.098 0.000 2.946 562 D HA -0.283 4.361 4.640 0.005 0.000 0.202 562 D C 0.917 177.209 176.300 -0.012 0.000 1.068 562 D CA 1.282 55.257 54.000 -0.042 0.000 1.011 562 D CB -1.230 39.564 40.800 -0.011 0.000 1.105 562 D HN 0.551 nan 8.370 nan 0.000 0.425 563 A N 0.224 123.031 122.820 -0.022 0.000 1.968 563 A HA 0.119 4.443 4.320 0.005 0.000 0.217 563 A C 1.313 178.949 177.584 0.087 0.000 1.169 563 A CA 0.459 52.541 52.037 0.076 0.000 0.638 563 A CB 0.038 19.136 19.000 0.163 0.000 0.812 563 A HN 0.320 nan 8.150 nan 0.000 0.446 564 L N 1.058 122.255 121.223 -0.043 0.000 2.349 564 L HA 0.130 4.473 4.340 0.005 0.000 0.275 564 L C 0.066 176.964 176.870 0.046 0.000 1.115 564 L CA -0.633 54.203 54.840 -0.006 0.000 0.820 564 L CB 0.509 42.512 42.059 -0.093 0.000 1.135 564 L HN 0.248 nan 8.230 nan 0.000 0.445 565 N N 4.314 123.061 118.700 0.078 0.000 2.402 565 N HA 0.097 4.840 4.740 0.005 0.000 0.259 565 N C 0.025 175.589 175.510 0.091 0.000 1.167 565 N CA 0.176 53.270 53.050 0.073 0.000 0.949 565 N CB 0.497 39.023 38.487 0.065 0.000 1.212 565 N HN 0.531 nan 8.380 nan 0.000 0.493 566 L N 2.395 123.669 121.223 0.085 0.000 2.818 566 L HA 0.241 4.584 4.340 0.005 0.000 0.243 566 L C 0.368 177.267 176.870 0.048 0.000 1.185 566 L CA -0.221 54.678 54.840 0.098 0.000 0.988 566 L CB -0.074 42.062 42.059 0.128 0.000 1.292 566 L HN 0.237 nan 8.230 nan 0.000 0.519 567 K N 0.702 121.123 120.400 0.034 0.000 2.368 567 K HA 0.375 4.698 4.320 0.005 0.000 0.282 567 K C 1.166 177.764 176.600 -0.003 0.000 1.035 567 K CA 0.689 56.987 56.287 0.017 0.000 0.973 567 K CB 0.763 33.276 32.500 0.021 0.000 0.957 567 K HN 0.218 nan 8.250 nan 0.000 0.474 568 G N 2.265 111.058 108.800 -0.011 0.000 2.175 568 G HA2 -0.247 3.716 3.960 0.005 0.000 0.244 568 G HA3 -0.247 3.716 3.960 0.005 0.000 0.244 568 G C 0.157 175.026 174.900 -0.052 0.000 0.982 568 G CA -0.262 44.820 45.100 -0.030 0.000 0.641 568 G HN 0.524 nan 8.290 nan 0.000 0.527 569 L N 1.232 122.430 121.223 -0.043 0.000 2.960 569 L HA 0.432 4.775 4.340 0.005 0.000 0.274 569 L C 1.972 178.836 176.870 -0.010 0.000 1.327 569 L CA 0.082 54.887 54.840 -0.058 0.000 0.860 569 L CB 0.477 42.476 42.059 -0.101 0.000 1.239 569 L HN 0.169 nan 8.230 nan 0.000 0.551 570 G N 0.231 109.028 108.800 -0.004 0.000 2.479 570 G HA2 -0.249 3.714 3.960 0.005 0.000 0.220 570 G HA3 -0.249 3.714 3.960 0.005 0.000 0.220 570 G C 1.090 176.003 174.900 0.023 0.000 1.115 570 G CA 1.036 46.144 45.100 0.013 0.000 0.757 570 G HN 0.662 nan 8.290 nan 0.000 0.560 571 D N 0.227 120.635 120.400 0.014 0.000 2.349 571 D HA -0.011 4.632 4.640 0.005 0.000 0.215 571 D C 0.808 177.133 176.300 0.040 0.000 1.016 571 D CA -0.177 53.835 54.000 0.020 0.000 0.870 571 D CB -0.308 40.494 40.800 0.004 0.000 0.917 571 D HN 0.107 nan 8.370 nan 0.000 0.524 572 V N 2.454 122.404 119.914 0.060 0.000 2.493 572 V HA -0.101 4.023 4.120 0.005 0.000 0.292 572 V C 0.848 177.016 176.094 0.124 0.000 1.016 572 V CA -0.166 62.199 62.300 0.107 0.000 1.097 572 V CB 0.195 32.128 31.823 0.184 0.000 0.947 572 V HN 0.175 nan 8.190 nan 0.000 0.479 573 N N 4.984 123.747 118.700 0.105 0.000 2.605 573 N HA 0.006 4.749 4.740 0.005 0.000 0.282 573 N C 1.037 176.624 175.510 0.129 0.000 1.206 573 N CA 0.175 53.282 53.050 0.095 0.000 1.074 573 N CB 0.929 39.453 38.487 0.062 0.000 1.434 573 N HN 0.608 nan 8.380 nan 0.000 0.506 574 V N 0.527 120.561 119.914 0.199 0.000 2.490 574 V HA -0.102 4.021 4.120 0.005 0.000 0.250 574 V C 1.857 178.141 176.094 0.317 0.000 1.061 574 V CA 1.165 63.688 62.300 0.372 0.000 1.064 574 V CB -0.281 31.725 31.823 0.306 0.000 0.670 574 V HN 0.295 nan 8.190 nan 0.000 0.461 575 E N 0.819 121.117 120.200 0.163 0.000 2.038 575 E HA -0.237 4.116 4.350 0.005 0.000 0.195 575 E C 2.224 178.880 176.600 0.093 0.000 1.000 575 E CA 2.108 58.577 56.400 0.115 0.000 0.803 575 E CB -0.235 29.507 29.700 0.070 0.000 0.750 575 E HN 0.862 nan 8.360 nan 0.000 0.448 576 E N -0.078 120.155 120.200 0.054 0.000 2.076 576 E HA -0.107 4.246 4.350 0.005 0.000 0.190 576 E C 2.116 178.686 176.600 -0.050 0.000 0.979 576 E CA 0.131 56.536 56.400 0.008 0.000 0.807 576 E CB 0.035 29.736 29.700 0.002 0.000 0.761 576 E HN 0.011 nan 8.360 nan 0.000 0.454 577 L N 0.072 121.229 121.223 -0.109 0.000 2.083 577 L HA -0.119 4.224 4.340 0.005 0.000 0.209 577 L C 1.395 177.951 176.870 -0.524 0.000 1.083 577 L CA 1.744 56.368 54.840 -0.360 0.000 0.752 577 L CB -0.302 41.446 42.059 -0.519 0.000 0.899 577 L HN 0.128 nan 8.230 nan 0.000 0.433 578 F N -0.477 119.451 119.950 -0.037 0.000 2.727 578 F HA 0.382 4.912 4.527 0.006 0.000 0.302 578 F C 1.633 177.411 175.800 -0.036 0.000 1.097 578 F CA -0.125 57.842 58.000 -0.054 0.000 1.330 578 F CB -0.930 38.025 39.000 -0.075 0.000 1.084 578 F HN 0.041 nan 8.300 nan 0.000 0.578 579 G N 1.608 110.460 108.800 0.087 0.000 2.380 579 G HA2 0.365 4.328 3.960 0.005 0.000 0.242 579 G HA3 0.365 4.328 3.960 0.005 0.000 0.242 579 G C -0.463 174.471 174.900 0.058 0.000 1.298 579 G CA -0.164 44.973 45.100 0.061 0.000 0.878 579 G HN 0.207 nan 8.290 nan 0.000 0.542 580 I N 1.444 122.050 120.570 0.060 0.000 2.410 580 I HA 0.221 4.395 4.170 0.005 0.000 0.286 580 I C 0.189 176.392 176.117 0.144 0.000 1.009 580 I CA -0.498 60.857 61.300 0.093 0.000 1.111 580 I CB 2.020 39.964 38.000 -0.093 0.000 1.262 580 I HN 0.464 nan 8.210 nan 0.000 0.443 581 S N 5.650 121.525 115.700 0.291 0.000 2.442 581 S HA 0.245 4.718 4.470 0.005 0.000 0.297 581 S C 1.037 175.847 174.600 0.351 0.000 1.131 581 S CA -0.595 57.758 58.200 0.256 0.000 1.092 581 S CB 1.277 64.609 63.200 0.219 0.000 0.998 581 S HN 0.749 nan 8.310 nan 0.000 0.478 582 K N 3.557 124.081 120.400 0.206 0.000 2.044 582 K HA -0.190 4.133 4.320 0.005 0.000 0.210 582 K C 1.816 178.528 176.600 0.187 0.000 1.049 582 K CA 2.115 58.510 56.287 0.181 0.000 0.927 582 K CB -0.241 32.316 32.500 0.095 0.000 0.713 582 K HN 0.840 nan 8.250 nan 0.000 0.443 583 E N -0.586 119.703 120.200 0.148 0.000 2.051 583 E HA -0.212 4.141 4.350 0.005 0.000 0.192 583 E C 1.859 178.512 176.600 0.088 0.000 0.991 583 E CA 1.349 57.809 56.400 0.100 0.000 0.799 583 E CB -0.193 29.554 29.700 0.078 0.000 0.748 583 E HN 0.375 nan 8.360 nan 0.000 0.449 584 F N -0.426 119.526 119.950 0.003 0.000 2.069 584 F HA -0.224 4.306 4.527 0.006 0.000 0.298 584 F C 1.619 177.286 175.800 -0.222 0.000 1.113 584 F CA 1.799 59.721 58.000 -0.130 0.000 1.214 584 F CB -0.361 38.529 39.000 -0.183 0.000 0.978 584 F HN 0.100 nan 8.300 nan 0.000 0.474 585 W N 0.973 122.351 121.300 0.129 0.000 2.467 585 W HA -0.031 4.633 4.660 0.006 0.000 0.275 585 W C 2.383 178.863 176.519 -0.066 0.000 1.239 585 W CA 1.230 58.593 57.345 0.029 0.000 1.266 585 W CB -0.472 29.046 29.460 0.098 0.000 1.112 585 W HN 0.063 nan 8.180 nan 0.000 0.576 586 E N 0.402 120.674 120.200 0.119 0.000 2.077 586 E HA -0.222 4.132 4.350 0.005 0.000 0.193 586 E C 1.927 178.493 176.600 -0.057 0.000 0.989 586 E CA 1.335 57.758 56.400 0.037 0.000 0.800 586 E CB -0.175 29.541 29.700 0.028 0.000 0.746 586 E HN 0.288 nan 8.360 nan 0.000 0.452 587 K N 0.409 120.710 120.400 -0.164 0.000 2.097 587 K HA -0.166 4.157 4.320 0.005 0.000 0.205 587 K C 2.131 178.549 176.600 -0.304 0.000 1.050 587 K CA 1.090 57.238 56.287 -0.232 0.000 0.938 587 K CB 0.016 32.337 32.500 -0.297 0.000 0.718 587 K HN -0.034 nan 8.250 nan 0.000 0.442 588 E N 1.062 120.977 120.200 -0.474 0.000 2.047 588 E HA -0.136 4.217 4.350 0.005 0.000 0.191 588 E C 1.815 178.330 176.600 -0.142 0.000 0.987 588 E CA 0.838 56.947 56.400 -0.485 0.000 0.799 588 E CB -0.212 28.989 29.700 -0.831 0.000 0.752 588 E HN 0.004 nan 8.360 nan 0.000 0.449 589 V N 0.560 120.475 119.914 0.001 0.000 2.515 589 V HA -0.210 3.913 4.120 0.005 0.000 0.250 589 V C 2.227 178.359 176.094 0.063 0.000 1.058 589 V CA 2.343 64.709 62.300 0.109 0.000 1.064 589 V CB -0.335 31.583 31.823 0.160 0.000 0.675 589 V HN 0.419 nan 8.190 nan 0.000 0.461 590 E N 0.124 120.329 120.200 0.008 0.000 2.110 590 E HA -0.245 4.108 4.350 0.005 0.000 0.193 590 E C 2.191 178.801 176.600 0.017 0.000 0.988 590 E CA 1.828 58.231 56.400 0.006 0.000 0.804 590 E CB -0.457 29.232 29.700 -0.019 0.000 0.745 590 E HN 0.619 nan 8.360 nan 0.000 0.458 591 E N 0.473 120.668 120.200 -0.008 0.000 2.047 591 E HA -0.151 4.202 4.350 0.005 0.000 0.191 591 E C 2.182 178.852 176.600 0.117 0.000 0.987 591 E CA 1.375 57.790 56.400 0.025 0.000 0.799 591 E CB -0.255 29.420 29.700 -0.043 0.000 0.752 591 E HN 0.461 nan 8.360 nan 0.000 0.449 592 I N 1.370 122.018 120.570 0.130 0.000 2.208 592 I HA -0.282 3.892 4.170 0.005 0.000 0.245 592 I C 2.440 178.673 176.117 0.195 0.000 1.097 592 I CA 1.548 62.975 61.300 0.212 0.000 1.363 592 I CB -0.364 37.775 38.000 0.230 0.000 1.051 592 I HN 0.096 nan 8.210 nan 0.000 0.413 593 D N 1.315 121.801 120.400 0.143 0.000 2.092 593 D HA -0.203 4.440 4.640 0.005 0.000 0.193 593 D C 2.133 178.472 176.300 0.065 0.000 0.994 593 D CA 1.629 55.689 54.000 0.100 0.000 0.828 593 D CB -0.011 40.827 40.800 0.064 0.000 0.963 593 D HN 0.179 nan 8.370 nan 0.000 0.450 594 K N -1.109 119.327 120.400 0.060 0.000 2.097 594 K HA -0.187 4.136 4.320 0.005 0.000 0.206 594 K C 2.241 178.862 176.600 0.034 0.000 1.049 594 K CA 1.096 57.406 56.287 0.038 0.000 0.933 594 K CB -0.335 32.186 32.500 0.036 0.000 0.717 594 K HN 0.326 nan 8.250 nan 0.000 0.442 595 Y N 1.518 121.762 120.300 -0.093 0.000 2.184 595 Y HA -0.122 4.431 4.550 0.005 0.000 0.290 595 Y C 1.779 177.591 175.900 -0.147 0.000 1.129 595 Y CA 1.189 59.163 58.100 -0.209 0.000 1.144 595 Y CB -0.232 37.889 38.460 -0.565 0.000 0.995 595 Y HN -0.112 nan 8.280 nan 0.000 0.513 596 L N 0.490 121.639 121.223 -0.124 0.000 2.093 596 L HA -0.180 4.163 4.340 0.005 0.000 0.208 596 L C 2.618 179.397 176.870 -0.153 0.000 1.085 596 L CA 1.859 56.598 54.840 -0.168 0.000 0.755 596 L CB -0.664 41.416 42.059 0.034 0.000 0.904 596 L HN 0.369 nan 8.230 nan 0.000 0.435 597 E N 0.571 120.719 120.200 -0.087 0.000 2.038 597 E HA -0.312 4.041 4.350 0.005 0.000 0.195 597 E C 1.739 178.278 176.600 -0.102 0.000 1.000 597 E CA 2.021 58.378 56.400 -0.072 0.000 0.803 597 E CB -0.001 29.676 29.700 -0.038 0.000 0.750 597 E HN 0.428 nan 8.360 nan 0.000 0.448 598 D N -0.499 119.827 120.400 -0.124 0.000 2.084 598 D HA -0.154 4.490 4.640 0.005 0.000 0.196 598 D C 2.022 178.222 176.300 -0.167 0.000 0.985 598 D CA 1.252 55.180 54.000 -0.121 0.000 0.826 598 D CB 0.072 40.813 40.800 -0.099 0.000 0.978 598 D HN 0.116 nan 8.370 nan 0.000 0.456 599 Q N -0.625 118.997 119.800 -0.296 0.000 2.354 599 Q HA 0.093 4.437 4.340 0.005 0.000 0.203 599 Q C 1.984 177.847 176.000 -0.228 0.000 0.933 599 Q CA 0.447 56.057 55.803 -0.322 0.000 0.901 599 Q CB 1.024 29.386 28.738 -0.626 0.000 1.007 599 Q HN 0.320 nan 8.270 nan 0.000 0.495 600 V N 0.689 120.474 119.914 -0.214 0.000 3.013 600 V HA -0.041 4.082 4.120 0.005 0.000 0.238 600 V C 0.991 177.017 176.094 -0.112 0.000 1.161 600 V CA 0.790 63.007 62.300 -0.139 0.000 1.170 600 V CB -0.623 31.119 31.823 -0.136 0.000 0.917 600 V HN 0.422 nan 8.190 nan 0.000 0.478 601 N N 2.759 121.397 118.700 -0.104 0.000 1.320 601 N HA -0.432 4.312 4.740 0.005 0.000 0.139 601 N C 1.262 176.738 175.510 -0.057 0.000 0.550 601 N CA 2.178 55.184 53.050 -0.073 0.000 1.036 601 N CB -1.807 36.639 38.487 -0.069 0.000 1.344 601 N HN 0.510 nan 8.380 nan 0.000 0.468 602 A N -1.244 121.546 122.820 -0.051 0.000 2.119 602 A HA -0.015 4.308 4.320 0.005 0.000 0.217 602 A C 1.266 178.827 177.584 -0.039 0.000 1.153 602 A CA 1.700 53.715 52.037 -0.037 0.000 0.692 602 A CB -0.410 18.569 19.000 -0.036 0.000 0.799 602 A HN 0.615 nan 8.150 nan 0.000 0.458 603 D N -0.824 119.541 120.400 -0.059 0.000 2.340 603 D HA 0.119 4.762 4.640 0.005 0.000 0.217 603 D C -0.043 176.207 176.300 -0.085 0.000 1.081 603 D CA -0.100 53.860 54.000 -0.067 0.000 0.842 603 D CB 0.170 40.920 40.800 -0.083 0.000 0.934 603 D HN 0.332 nan 8.370 nan 0.000 0.511 604 L N 2.538 123.717 121.223 -0.074 0.000 2.369 604 L HA 0.257 4.600 4.340 0.005 0.000 0.279 604 L C -2.366 174.493 176.870 -0.018 0.000 1.108 604 L CA -1.332 53.463 54.840 -0.076 0.000 0.852 604 L CB 0.458 42.483 42.059 -0.057 0.000 1.169 604 L HN -0.286 nan 8.230 nan 0.000 0.452 605 P HA -0.001 nan 4.420 nan 0.000 0.268 605 P C -0.011 177.359 177.300 0.117 0.000 1.205 605 P CA 0.080 63.219 63.100 0.065 0.000 0.771 605 P CB 0.310 32.051 31.700 0.067 0.000 0.858 606 Y N 2.618 122.931 120.300 0.022 0.000 2.151 606 Y HA -0.321 4.233 4.550 0.005 0.000 0.284 606 Y C 1.831 177.756 175.900 0.042 0.000 1.166 606 Y CA 1.939 60.054 58.100 0.026 0.000 1.163 606 Y CB -0.172 38.302 38.460 0.023 0.000 0.974 606 Y HN 0.409 nan 8.280 nan 0.000 0.511 607 E N -0.157 120.196 120.200 0.255 0.000 2.160 607 E HA -0.206 4.147 4.350 0.005 0.000 0.195 607 E C 1.969 178.625 176.600 0.094 0.000 0.991 607 E CA 1.547 58.055 56.400 0.180 0.000 0.810 607 E CB -0.231 29.596 29.700 0.212 0.000 0.742 607 E HN 0.455 nan 8.360 nan 0.000 0.466 608 I N 0.759 121.388 120.570 0.099 0.000 2.406 608 I HA -0.125 4.048 4.170 0.005 0.000 0.249 608 I C 2.289 178.448 176.117 0.070 0.000 1.122 608 I CA 1.044 62.431 61.300 0.145 0.000 1.431 608 I CB -0.958 37.136 38.000 0.158 0.000 1.087 608 I HN 0.176 nan 8.210 nan 0.000 0.424 609 E N 1.573 121.758 120.200 -0.027 0.000 2.150 609 E HA -0.234 4.120 4.350 0.005 0.000 0.193 609 E C 2.307 178.793 176.600 -0.191 0.000 0.985 609 E CA 0.847 57.187 56.400 -0.102 0.000 0.814 609 E CB 0.043 29.650 29.700 -0.156 0.000 0.752 609 E HN 0.363 nan 8.360 nan 0.000 0.466 610 R N 0.419 120.770 120.500 -0.248 0.000 2.073 610 R HA -0.144 4.199 4.340 0.005 0.000 0.234 610 R C 2.178 178.362 176.300 -0.194 0.000 1.134 610 R CA 1.627 57.592 56.100 -0.226 0.000 0.952 610 R CB 0.012 30.216 30.300 -0.159 0.000 0.850 610 R HN 0.043 nan 8.270 nan 0.000 0.433 611 E N 0.752 120.833 120.200 -0.198 0.000 2.085 611 E HA -0.225 4.128 4.350 0.005 0.000 0.194 611 E C 1.982 178.184 176.600 -0.664 0.000 0.994 611 E CA 1.004 57.179 56.400 -0.375 0.000 0.801 611 E CB -0.418 29.097 29.700 -0.309 0.000 0.743 611 E HN 0.269 nan 8.360 nan 0.000 0.453 612 L N 1.486 122.355 121.223 -0.589 0.000 2.012 612 L HA -0.194 4.149 4.340 0.005 0.000 0.210 612 L C 2.336 179.076 176.870 -0.218 0.000 1.073 612 L CA 1.811 56.428 54.840 -0.372 0.000 0.748 612 L CB -0.283 41.764 42.059 -0.020 0.000 0.891 612 L HN -0.046 nan 8.230 nan 0.000 0.431 613 R N -0.629 119.763 120.500 -0.180 0.000 2.091 613 R HA -0.146 4.197 4.340 0.005 0.000 0.238 613 R C 2.247 178.463 176.300 -0.140 0.000 1.136 613 R CA 1.382 57.402 56.100 -0.133 0.000 0.959 613 R CB -0.701 29.521 30.300 -0.130 0.000 0.856 613 R HN 0.569 nan 8.270 nan 0.000 0.437 614 A N 1.244 123.955 122.820 -0.182 0.000 1.877 614 A HA -0.161 4.163 4.320 0.005 0.000 0.216 614 A C 2.084 179.555 177.584 -0.188 0.000 1.186 614 A CA 1.083 53.015 52.037 -0.176 0.000 0.620 614 A CB -0.511 18.372 19.000 -0.195 0.000 0.822 614 A HN 0.242 nan 8.150 nan 0.000 0.443 615 L N 0.159 121.240 121.223 -0.236 0.000 2.017 615 L HA -0.149 4.194 4.340 0.005 0.000 0.208 615 L C 2.278 179.095 176.870 -0.089 0.000 1.073 615 L CA 2.761 57.494 54.840 -0.178 0.000 0.745 615 L CB -0.699 41.263 42.059 -0.161 0.000 0.894 615 L HN 0.473 nan 8.230 nan 0.000 0.432 616 K N -1.082 119.276 120.400 -0.069 0.000 2.103 616 K HA -0.288 4.035 4.320 0.005 0.000 0.207 616 K C 2.245 178.821 176.600 -0.040 0.000 1.048 616 K CA 1.849 58.121 56.287 -0.026 0.000 0.930 616 K CB -0.138 32.347 32.500 -0.025 0.000 0.716 616 K HN 0.441 nan 8.250 nan 0.000 0.444 617 Q N 0.741 120.500 119.800 -0.068 0.000 2.079 617 Q HA -0.083 4.261 4.340 0.005 0.000 0.200 617 Q C 1.877 177.837 176.000 -0.067 0.000 0.974 617 Q CA 1.589 57.355 55.803 -0.062 0.000 0.840 617 Q CB 0.060 28.757 28.738 -0.069 0.000 0.898 617 Q HN 0.268 nan 8.270 nan 0.000 0.430 618 R N -0.289 120.154 120.500 -0.095 0.000 2.091 618 R HA -0.101 4.242 4.340 0.005 0.000 0.238 618 R C 2.320 178.567 176.300 -0.087 0.000 1.136 618 R CA 1.641 57.676 56.100 -0.108 0.000 0.959 618 R CB -0.484 29.719 30.300 -0.161 0.000 0.856 618 R HN 0.346 nan 8.270 nan 0.000 0.437 619 I N 0.840 121.370 120.570 -0.066 0.000 2.286 619 I HA -0.272 3.901 4.170 0.005 0.000 0.248 619 I C 2.594 178.708 176.117 -0.006 0.000 1.115 619 I CA 1.481 62.767 61.300 -0.023 0.000 1.392 619 I CB -0.382 37.648 38.000 0.050 0.000 1.065 619 I HN 0.216 nan 8.210 nan 0.000 0.418 620 S N 0.386 116.079 115.700 -0.011 0.000 2.442 620 S HA -0.187 4.286 4.470 0.005 0.000 0.236 620 S C 1.756 176.348 174.600 -0.013 0.000 1.007 620 S CA 0.886 59.082 58.200 -0.007 0.000 0.965 620 S CB -0.226 62.967 63.200 -0.012 0.000 0.773 620 S HN 0.445 nan 8.310 nan 0.000 0.504 621 Q N 0.436 120.221 119.800 -0.026 0.000 2.360 621 Q HA 0.369 4.712 4.340 0.005 0.000 0.202 621 Q C 0.584 176.569 176.000 -0.025 0.000 0.915 621 Q CA 0.037 55.824 55.803 -0.027 0.000 0.943 621 Q CB -0.227 28.489 28.738 -0.036 0.000 1.064 621 Q HN 0.676 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.587 119.600 -0.022 0.000 2.572 622 M HA 0.000 4.483 4.480 0.005 0.000 0.227 622 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 622 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411