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 2arr_1_A DATA FIRST_RESID 3 DATA SEQUENCE DLcVANTLFA LNLFKHLAKA SPTQNLFLSP WSISSTMAMV YMGSRGSTED DATA SEQUENCE QMASVLQFNE VXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXK DATA SEQUENCE IHSSFRSLSS AINASTGNYL LESVNKLFGE KSASFREEYI RLCQKYYSSE DATA SEQUENCE PQAVDFLECA EEARKKINSW VKTQTKGKIP NLLPEGSVDG DTRMVLVNAV DATA SEQUENCE YFKGKWKTPF EKKXXXLFPF RVNSAQRTPV QMMYLREKLN IGYIEDLKAQ DATA SEQUENCE ILELPYAGDV SMFLLLPDXX ADVSTGLELL ESEITYDKLN KWTSXXKMAE DATA SEQUENCE DEVEVYIPQF KLEEHYELRS ILRSMGMEDA FNKGRANFSG MSERNDLFLS DATA SEQUENCE EVFHQAMVDV NEEGTXXXXX XXXXXTGRTG HGGPQFVADH PFLFLIMHKI DATA SEQUENCE TNcILFFGRF SSP 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.317 176.300 0.029 0.000 2.045 3 D CA 0.000 54.039 54.000 0.065 0.000 0.868 3 D CB 0.000 40.890 40.800 0.151 0.000 0.688 4 L N 1.915 123.149 121.223 0.018 0.000 2.650 4 L HA 0.157 4.496 4.340 -0.002 0.000 0.235 4 L C 1.237 178.092 176.870 -0.026 0.000 1.149 4 L CA 0.311 55.144 54.840 -0.012 0.000 0.887 4 L CB 0.021 42.072 42.059 -0.015 0.000 1.021 4 L HN 0.476 nan 8.230 nan 0.000 0.441 5 c N -2.097 116.509 118.600 0.008 0.000 3.385 5 c HA 0.135 4.704 4.570 -0.002 0.000 0.288 5 c C 2.286 176.392 174.090 0.026 0.000 1.429 5 c CA -0.453 55.891 56.329 0.024 0.000 1.778 5 c CB -0.077 42.475 42.510 0.070 0.000 2.503 5 c HN 0.282 nan 8.230 nan 0.000 0.646 6 V N 1.768 121.665 119.914 -0.029 0.000 2.287 6 V HA -0.264 3.855 4.120 -0.002 0.000 0.248 6 V C 2.765 178.763 176.094 -0.159 0.000 1.053 6 V CA 2.627 64.825 62.300 -0.170 0.000 1.027 6 V CB -1.048 30.590 31.823 -0.308 0.000 0.646 6 V HN 0.617 nan 8.190 nan 0.000 0.447 7 A N 0.461 123.241 122.820 -0.067 0.000 1.908 7 A HA -0.267 4.052 4.320 -0.002 0.000 0.218 7 A C 2.057 179.672 177.584 0.050 0.000 1.181 7 A CA 2.287 54.322 52.037 -0.003 0.000 0.627 7 A CB -0.755 18.328 19.000 0.140 0.000 0.818 7 A HN 0.593 nan 8.150 nan 0.000 0.445 8 N N -0.343 118.414 118.700 0.094 0.000 2.166 8 N HA -0.094 4.645 4.740 -0.002 0.000 0.186 8 N C 1.716 177.328 175.510 0.171 0.000 1.019 8 N CA 1.916 55.074 53.050 0.179 0.000 0.856 8 N CB -0.800 37.811 38.487 0.208 0.000 0.993 8 N HN 0.517 nan 8.380 nan 0.000 0.426 9 T N 1.457 116.078 114.554 0.112 0.000 2.777 9 T HA 0.046 4.395 4.350 -0.002 0.000 0.266 9 T C 2.107 176.843 174.700 0.061 0.000 1.040 9 T CA 0.525 62.691 62.100 0.110 0.000 1.141 9 T CB -0.230 68.772 68.868 0.223 0.000 0.868 9 T HN 0.112 nan 8.240 nan 0.000 0.444 10 L N 0.138 121.367 121.223 0.011 0.000 2.012 10 L HA -0.086 4.253 4.340 -0.002 0.000 0.210 10 L C 2.292 179.168 176.870 0.010 0.000 1.073 10 L CA 1.511 56.345 54.840 -0.009 0.000 0.748 10 L CB -0.619 41.392 42.059 -0.079 0.000 0.891 10 L HN 0.209 nan 8.230 nan 0.000 0.431 11 F N 0.853 120.737 119.950 -0.111 0.000 2.102 11 F HA -0.234 4.291 4.527 -0.003 0.000 0.298 11 F C 2.428 178.154 175.800 -0.123 0.000 1.105 11 F CA 1.130 59.049 58.000 -0.135 0.000 1.239 11 F CB -0.525 38.376 39.000 -0.164 0.000 0.991 11 F HN 0.007 nan 8.300 nan 0.000 0.474 12 A N 1.062 123.714 122.820 -0.280 0.000 1.873 12 A HA -0.213 4.105 4.320 -0.002 0.000 0.218 12 A C 2.376 179.686 177.584 -0.457 0.000 1.193 12 A CA 2.246 54.035 52.037 -0.413 0.000 0.629 12 A CB -1.373 17.485 19.000 -0.238 0.000 0.826 12 A HN 0.524 nan 8.150 nan 0.000 0.447 13 L N -0.622 120.407 121.223 -0.324 0.000 2.093 13 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 13 L C 2.367 179.168 176.870 -0.116 0.000 1.085 13 L CA 1.232 55.924 54.840 -0.247 0.000 0.755 13 L CB -0.659 41.331 42.059 -0.114 0.000 0.904 13 L HN 0.382 nan 8.230 nan 0.000 0.435 14 N N 0.169 118.787 118.700 -0.137 0.000 2.142 14 N HA -0.172 4.567 4.740 -0.002 0.000 0.186 14 N C 1.784 177.245 175.510 -0.081 0.000 1.023 14 N CA 1.055 54.075 53.050 -0.049 0.000 0.852 14 N CB -0.378 38.074 38.487 -0.058 0.000 0.998 14 N HN 0.145 nan 8.380 nan 0.000 0.424 15 L N 0.332 121.328 121.223 -0.379 0.000 2.042 15 L HA -0.090 4.249 4.340 -0.002 0.000 0.210 15 L C 2.080 178.827 176.870 -0.205 0.000 1.076 15 L CA 1.415 56.004 54.840 -0.418 0.000 0.749 15 L CB -0.857 40.713 42.059 -0.814 0.000 0.893 15 L HN 0.082 nan 8.230 nan 0.000 0.432 16 F N 0.373 120.121 119.950 -0.337 0.000 2.126 16 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 16 F C 2.286 178.014 175.800 -0.121 0.000 1.096 16 F CA 1.914 59.768 58.000 -0.244 0.000 1.255 16 F CB -0.243 38.543 39.000 -0.355 0.000 0.997 16 F HN 0.044 nan 8.300 nan 0.000 0.479 17 K N -1.013 119.338 120.400 -0.082 0.000 2.097 17 K HA -0.174 4.144 4.320 -0.002 0.000 0.205 17 K C 1.839 178.303 176.600 -0.227 0.000 1.050 17 K CA 1.739 57.927 56.287 -0.166 0.000 0.938 17 K CB -0.436 32.036 32.500 -0.047 0.000 0.718 17 K HN 0.380 nan 8.250 nan 0.000 0.442 18 H N 0.242 119.191 119.070 -0.201 0.000 2.395 18 H HA -0.062 4.493 4.556 -0.002 0.000 0.299 18 H C 1.750 176.961 175.328 -0.195 0.000 1.070 18 H CA 0.898 56.844 56.048 -0.169 0.000 1.356 18 H CB 0.007 29.685 29.762 -0.141 0.000 1.401 18 H HN -0.010 nan 8.280 nan 0.000 0.524 19 L N 0.467 121.607 121.223 -0.138 0.000 2.093 19 L HA -0.014 4.325 4.340 -0.002 0.000 0.208 19 L C 2.247 178.979 176.870 -0.230 0.000 1.085 19 L CA 1.598 56.321 54.840 -0.196 0.000 0.755 19 L CB -0.840 41.050 42.059 -0.282 0.000 0.904 19 L HN 0.236 nan 8.230 nan 0.000 0.435 20 A N -0.895 121.700 122.820 -0.375 0.000 2.070 20 A HA -0.157 4.161 4.320 -0.002 0.000 0.220 20 A C 2.139 179.606 177.584 -0.195 0.000 1.159 20 A CA 1.290 53.117 52.037 -0.349 0.000 0.656 20 A CB -0.463 18.222 19.000 -0.524 0.000 0.800 20 A HN 0.368 nan 8.150 nan 0.000 0.453 21 K N 0.016 120.313 120.400 -0.171 0.000 2.097 21 K HA 0.008 4.327 4.320 -0.002 0.000 0.205 21 K C 2.151 178.706 176.600 -0.075 0.000 1.050 21 K CA 1.347 57.563 56.287 -0.118 0.000 0.938 21 K CB -0.790 31.637 32.500 -0.121 0.000 0.718 21 K HN 0.452 nan 8.250 nan 0.000 0.442 22 A N 0.429 123.210 122.820 -0.064 0.000 1.968 22 A HA -0.019 4.300 4.320 -0.002 0.000 0.217 22 A C 1.324 178.902 177.584 -0.010 0.000 1.169 22 A CA 1.073 53.095 52.037 -0.025 0.000 0.638 22 A CB 0.055 19.053 19.000 -0.004 0.000 0.812 22 A HN 0.179 nan 8.150 nan 0.000 0.446 23 S N -0.455 115.228 115.700 -0.028 0.000 2.279 23 S HA 0.416 4.885 4.470 -0.002 0.000 0.176 23 S C -2.214 172.365 174.600 -0.035 0.000 1.554 23 S CA -1.040 57.160 58.200 0.000 0.000 1.242 23 S CB 1.116 64.354 63.200 0.063 0.000 1.163 23 S HN 0.221 nan 8.310 nan 0.000 0.449 24 P HA 0.036 nan 4.420 nan 0.000 0.229 24 P C 1.045 178.335 177.300 -0.017 0.000 1.160 24 P CA 0.887 63.960 63.100 -0.046 0.000 0.777 24 P CB 0.124 31.803 31.700 -0.036 0.000 0.814 25 T N -6.004 108.550 114.554 -0.001 0.000 3.010 25 T HA 0.112 4.461 4.350 -0.002 0.000 0.253 25 T C 0.863 175.567 174.700 0.006 0.000 0.939 25 T CA -0.150 61.955 62.100 0.008 0.000 0.910 25 T CB -0.320 68.550 68.868 0.003 0.000 1.226 25 T HN -0.034 nan 8.240 nan 0.000 0.508 26 Q N 2.345 122.154 119.800 0.015 0.000 2.471 26 Q HA 0.317 4.656 4.340 -0.002 0.000 0.223 26 Q C -0.330 175.690 176.000 0.033 0.000 1.045 26 Q CA -0.370 55.439 55.803 0.010 0.000 0.956 26 Q CB 0.296 29.052 28.738 0.030 0.000 1.249 26 Q HN 0.254 nan 8.270 nan 0.000 0.549 27 N N 1.070 119.776 118.700 0.009 0.000 2.407 27 N HA 0.107 4.846 4.740 -0.002 0.000 0.250 27 N C -0.937 174.710 175.510 0.229 0.000 1.236 27 N CA 0.576 53.672 53.050 0.077 0.000 0.879 27 N CB 0.083 38.612 38.487 0.070 0.000 1.088 27 N HN 0.449 nan 8.380 nan 0.000 0.450 28 L N 1.647 123.068 121.223 0.330 0.000 2.401 28 L HA 0.617 4.956 4.340 -0.002 0.000 0.266 28 L C -0.996 176.228 176.870 0.590 0.000 0.991 28 L CA -0.854 54.262 54.840 0.460 0.000 0.818 28 L CB 1.754 44.054 42.059 0.402 0.000 1.321 28 L HN 0.359 nan 8.230 nan 0.000 0.413 29 F N 3.284 123.509 119.950 0.459 0.000 2.623 29 F HA 0.676 5.202 4.527 -0.003 0.000 0.323 29 F C -1.751 174.347 175.800 0.497 0.000 1.158 29 F CA -0.416 57.833 58.000 0.414 0.000 1.030 29 F CB 1.256 40.496 39.000 0.399 0.000 1.280 29 F HN 0.180 nan 8.300 nan 0.000 0.474 30 L N 3.238 124.305 121.223 -0.260 0.000 2.359 30 L HA 0.645 4.984 4.340 -0.002 0.000 0.256 30 L C -0.638 176.202 176.870 -0.050 0.000 1.026 30 L CA -1.194 53.683 54.840 0.061 0.000 0.828 30 L CB 2.303 44.419 42.059 0.095 0.000 1.406 30 L HN 0.492 nan 8.230 nan 0.000 0.413 31 S N 0.585 116.461 115.700 0.293 0.000 2.577 31 S HA 0.425 4.894 4.470 -0.002 0.000 0.294 31 S C -2.100 172.496 174.600 -0.007 0.000 1.161 31 S CA -1.516 56.692 58.200 0.014 0.000 1.143 31 S CB 1.040 64.240 63.200 -0.000 0.000 0.991 31 S HN 0.305 nan 8.310 nan 0.000 0.475 32 P HA -0.081 nan 4.420 nan 0.000 0.217 32 P C 1.533 178.901 177.300 0.113 0.000 1.150 32 P CA 0.641 63.755 63.100 0.024 0.000 0.832 32 P CB -0.114 31.597 31.700 0.017 0.000 0.787 33 W N 0.636 121.915 121.300 -0.035 0.000 2.335 33 W HA -0.202 4.458 4.660 -0.000 0.000 0.311 33 W C 2.162 178.719 176.519 0.064 0.000 1.213 33 W CA 2.004 59.360 57.345 0.019 0.000 1.274 33 W CB -0.939 28.477 29.460 -0.074 0.000 1.148 33 W HN -0.006 nan 8.180 nan 0.000 0.498 34 S N 0.727 116.382 115.700 -0.074 0.000 2.368 34 S HA -0.212 4.257 4.470 -0.002 0.000 0.225 34 S C 1.886 176.394 174.600 -0.152 0.000 1.030 34 S CA 1.853 59.995 58.200 -0.096 0.000 0.999 34 S CB -0.546 62.762 63.200 0.179 0.000 0.844 34 S HN 0.315 nan 8.310 nan 0.000 0.459 35 I N 0.944 121.424 120.570 -0.150 0.000 2.142 35 I HA -0.155 4.014 4.170 -0.002 0.000 0.240 35 I C 2.658 178.700 176.117 -0.124 0.000 1.078 35 I CA 1.333 62.553 61.300 -0.135 0.000 1.343 35 I CB -0.588 37.353 38.000 -0.099 0.000 1.046 35 I HN 0.270 nan 8.210 nan 0.000 0.405 36 S N 0.257 115.901 115.700 -0.093 0.000 2.383 36 S HA -0.171 4.298 4.470 -0.002 0.000 0.229 36 S C 2.227 176.632 174.600 -0.326 0.000 1.030 36 S CA 1.644 59.752 58.200 -0.153 0.000 1.002 36 S CB -0.195 63.060 63.200 0.092 0.000 0.829 36 S HN 0.374 nan 8.310 nan 0.000 0.467 37 S N 1.111 116.529 115.700 -0.469 0.000 2.348 37 S HA -0.105 4.364 4.470 -0.002 0.000 0.221 37 S C 2.185 176.492 174.600 -0.488 0.000 1.033 37 S CA 1.640 59.482 58.200 -0.596 0.000 1.010 37 S CB -0.710 62.155 63.200 -0.560 0.000 0.891 37 S HN 0.587 nan 8.310 nan 0.000 0.442 38 T N 2.587 116.951 114.554 -0.317 0.000 2.708 38 T HA -0.016 4.332 4.350 -0.002 0.000 0.266 38 T C 1.831 176.368 174.700 -0.271 0.000 1.037 38 T CA 1.105 63.058 62.100 -0.245 0.000 1.146 38 T CB -0.261 68.537 68.868 -0.117 0.000 0.865 38 T HN 0.210 nan 8.240 nan 0.000 0.435 39 M N 1.172 120.619 119.600 -0.254 0.000 2.213 39 M HA 0.103 4.582 4.480 -0.002 0.000 0.263 39 M C 2.718 178.908 176.300 -0.185 0.000 1.062 39 M CA 0.914 56.083 55.300 -0.218 0.000 1.105 39 M CB -1.555 30.879 32.600 -0.277 0.000 1.385 39 M HN 0.307 nan 8.290 nan 0.000 0.417 40 A N 0.095 122.726 122.820 -0.314 0.000 1.930 40 A HA -0.128 4.190 4.320 -0.002 0.000 0.217 40 A C 2.274 179.710 177.584 -0.245 0.000 1.175 40 A CA 1.397 53.300 52.037 -0.224 0.000 0.627 40 A CB -0.503 18.032 19.000 -0.775 0.000 0.815 40 A HN 0.468 nan 8.150 nan 0.000 0.443 41 M N -0.694 118.543 119.600 -0.606 0.000 2.117 41 M HA -0.132 4.347 4.480 -0.002 0.000 0.262 41 M C 2.108 178.320 176.300 -0.146 0.000 1.065 41 M CA 1.368 56.316 55.300 -0.586 0.000 1.114 41 M CB -0.528 31.697 32.600 -0.626 0.000 1.361 41 M HN 0.256 nan 8.290 nan 0.000 0.408 42 V N -0.508 119.343 119.914 -0.104 0.000 2.343 42 V HA -0.286 3.832 4.120 -0.002 0.000 0.247 42 V C 2.199 178.412 176.094 0.198 0.000 1.051 42 V CA 1.918 64.210 62.300 -0.013 0.000 1.036 42 V CB -0.977 30.799 31.823 -0.078 0.000 0.654 42 V HN 0.415 nan 8.190 nan 0.000 0.451 43 Y N 0.523 120.858 120.300 0.059 0.000 2.165 43 Y HA -0.317 4.232 4.550 -0.002 0.000 0.286 43 Y C 2.517 178.519 175.900 0.171 0.000 1.155 43 Y CA 2.226 60.400 58.100 0.124 0.000 1.164 43 Y CB -0.333 38.221 38.460 0.157 0.000 0.978 43 Y HN 0.249 nan 8.280 nan 0.000 0.513 44 M N -0.528 119.128 119.600 0.094 0.000 2.267 44 M HA -0.124 4.355 4.480 -0.002 0.000 0.263 44 M C 1.925 178.288 176.300 0.105 0.000 1.063 44 M CA 2.190 57.490 55.300 -0.001 0.000 1.090 44 M CB -0.472 32.033 32.600 -0.158 0.000 1.392 44 M HN 0.372 nan 8.290 nan 0.000 0.422 45 G N -0.250 108.648 108.800 0.162 0.000 2.777 45 G HA2 0.011 3.970 3.960 -0.002 0.000 0.211 45 G HA3 0.011 3.970 3.960 -0.002 0.000 0.211 45 G C 0.536 175.473 174.900 0.061 0.000 1.149 45 G CA 0.387 45.496 45.100 0.014 0.000 0.785 45 G HN 0.596 nan 8.290 nan 0.000 0.536 46 S N 0.054 115.739 115.700 -0.026 0.000 2.601 46 S HA 0.775 5.243 4.470 -0.002 0.000 0.271 46 S C -0.021 174.427 174.600 -0.254 0.000 1.305 46 S CA -0.602 57.397 58.200 -0.337 0.000 1.022 46 S CB 2.205 65.216 63.200 -0.315 0.000 0.940 46 S HN 0.113 nan 8.310 nan 0.000 0.525 47 R N 0.095 120.425 120.500 -0.284 0.000 2.846 47 R HA 0.755 5.094 4.340 -0.002 0.000 0.263 47 R C 0.931 177.138 176.300 -0.155 0.000 1.080 47 R CA 0.041 56.038 56.100 -0.170 0.000 0.961 47 R CB 0.385 30.611 30.300 -0.123 0.000 1.231 47 R HN 1.223 nan 8.270 nan 0.000 0.465 48 G N 0.548 109.290 108.800 -0.096 0.000 2.574 48 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.282 48 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.282 48 G C 0.847 175.705 174.900 -0.070 0.000 1.257 48 G CA 0.983 46.038 45.100 -0.076 0.000 0.956 48 G HN 0.744 nan 8.290 nan 0.000 0.560 49 S N -1.538 114.123 115.700 -0.065 0.000 2.419 49 S HA -0.091 4.378 4.470 -0.002 0.000 0.233 49 S C 2.202 176.762 174.600 -0.067 0.000 1.016 49 S CA 2.507 60.676 58.200 -0.051 0.000 0.974 49 S CB -0.671 62.505 63.200 -0.041 0.000 0.786 49 S HN 1.046 nan 8.310 nan 0.000 0.492 50 T N 2.204 116.683 114.554 -0.127 0.000 2.708 50 T HA -0.116 4.233 4.350 -0.002 0.000 0.266 50 T C 1.748 176.375 174.700 -0.121 0.000 1.037 50 T CA 1.663 63.653 62.100 -0.184 0.000 1.146 50 T CB -0.441 68.177 68.868 -0.417 0.000 0.865 50 T HN 0.698 nan 8.240 nan 0.000 0.435 51 E N 0.650 120.787 120.200 -0.105 0.000 2.051 51 E HA -0.205 4.144 4.350 -0.002 0.000 0.192 51 E C 1.733 178.411 176.600 0.129 0.000 0.991 51 E CA 1.413 57.837 56.400 0.039 0.000 0.799 51 E CB -0.040 29.639 29.700 -0.035 0.000 0.748 51 E HN 0.338 nan 8.360 nan 0.000 0.449 52 D N 0.311 120.739 120.400 0.046 0.000 2.117 52 D HA -0.164 4.475 4.640 -0.002 0.000 0.197 52 D C 2.048 178.359 176.300 0.018 0.000 0.987 52 D CA 1.046 55.073 54.000 0.045 0.000 0.829 52 D CB -0.243 40.565 40.800 0.013 0.000 0.961 52 D HN 0.335 nan 8.370 nan 0.000 0.460 53 Q N -0.365 119.433 119.800 -0.004 0.000 2.079 53 Q HA -0.035 4.304 4.340 -0.002 0.000 0.200 53 Q C 2.343 178.309 176.000 -0.056 0.000 0.974 53 Q CA 0.850 56.638 55.803 -0.024 0.000 0.840 53 Q CB -0.064 28.665 28.738 -0.016 0.000 0.898 53 Q HN 0.322 nan 8.270 nan 0.000 0.430 54 M N 0.054 119.631 119.600 -0.037 0.000 2.117 54 M HA -0.177 4.302 4.480 -0.002 0.000 0.262 54 M C 2.395 178.501 176.300 -0.323 0.000 1.065 54 M CA 1.472 56.702 55.300 -0.116 0.000 1.114 54 M CB -0.396 32.227 32.600 0.038 0.000 1.361 54 M HN 0.255 nan 8.290 nan 0.000 0.408 55 A N -0.576 122.103 122.820 -0.236 0.000 1.940 55 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 55 A C 2.266 179.676 177.584 -0.290 0.000 1.176 55 A CA 2.279 54.131 52.037 -0.309 0.000 0.631 55 A CB -0.876 18.146 19.000 0.037 0.000 0.814 55 A HN 0.489 nan 8.150 nan 0.000 0.446 56 S N -0.709 114.889 115.700 -0.170 0.000 2.345 56 S HA -0.123 4.346 4.470 -0.002 0.000 0.220 56 S C 1.919 176.401 174.600 -0.196 0.000 1.031 56 S CA 1.661 59.777 58.200 -0.141 0.000 0.996 56 S CB -0.507 62.648 63.200 -0.075 0.000 0.882 56 S HN 0.301 nan 8.310 nan 0.000 0.445 57 V N 2.026 121.815 119.914 -0.208 0.000 2.343 57 V HA -0.089 4.030 4.120 -0.002 0.000 0.247 57 V C 2.238 178.178 176.094 -0.257 0.000 1.051 57 V CA 1.651 63.851 62.300 -0.166 0.000 1.036 57 V CB -0.661 31.093 31.823 -0.115 0.000 0.654 57 V HN 0.486 nan 8.190 nan 0.000 0.451 58 L N -0.184 120.658 121.223 -0.634 0.000 2.552 58 L HA 0.019 4.357 4.340 -0.002 0.000 0.227 58 L C 1.112 177.433 176.870 -0.915 0.000 1.146 58 L CA 0.423 54.609 54.840 -1.090 0.000 0.858 58 L CB -0.269 40.771 42.059 -1.700 0.000 0.969 58 L HN 0.413 nan 8.230 nan 0.000 0.451 59 Q N -2.282 117.182 119.800 -0.560 0.000 2.493 59 Q HA -0.230 4.108 4.340 -0.002 0.000 0.260 59 Q C 0.865 176.790 176.000 -0.125 0.000 0.873 59 Q CA 0.975 56.627 55.803 -0.252 0.000 1.150 59 Q CB -2.430 26.238 28.738 -0.117 0.000 1.393 59 Q HN 0.533 nan 8.270 nan 0.000 0.607 60 F N 0.451 120.304 119.950 -0.162 0.000 2.234 60 F HA -0.109 4.416 4.527 -0.003 0.000 0.299 60 F C 1.972 177.710 175.800 -0.102 0.000 1.087 60 F CA 0.867 58.778 58.000 -0.148 0.000 1.340 60 F CB -0.111 38.762 39.000 -0.212 0.000 1.031 60 F HN 0.170 nan 8.300 nan 0.000 0.500 61 N N 0.158 118.892 118.700 0.057 0.000 2.457 61 N HA -0.104 4.635 4.740 -0.002 0.000 0.180 61 N C 1.493 177.002 175.510 -0.001 0.000 1.050 61 N CA 0.647 53.711 53.050 0.023 0.000 0.906 61 N CB -0.339 38.149 38.487 0.001 0.000 0.968 61 N HN 0.235 nan 8.380 nan 0.000 0.445 62 E N 0.427 120.615 120.200 -0.019 0.000 2.204 62 E HA -0.029 4.320 4.350 -0.002 0.000 0.194 62 E C 0.947 177.524 176.600 -0.038 0.000 0.989 62 E CA 0.282 56.660 56.400 -0.036 0.000 0.824 62 E CB -0.056 29.607 29.700 -0.061 0.000 0.756 62 E HN 0.250 nan 8.360 nan 0.000 0.477 103 I N 1.758 122.119 120.570 -0.348 0.000 2.142 103 I HA -0.221 3.948 4.170 -0.002 0.000 0.240 103 I C 2.261 178.187 176.117 -0.319 0.000 1.078 103 I CA 1.840 62.858 61.300 -0.470 0.000 1.343 103 I CB -1.010 36.526 38.000 -0.772 0.000 1.046 103 I HN 0.295 nan 8.210 nan 0.000 0.405 104 H N 0.632 119.562 119.070 -0.234 0.000 2.395 104 H HA -0.023 4.532 4.556 -0.002 0.000 0.299 104 H C 2.453 177.476 175.328 -0.508 0.000 1.070 104 H CA 1.651 57.483 56.048 -0.360 0.000 1.356 104 H CB -0.437 28.933 29.762 -0.654 0.000 1.401 104 H HN 0.377 nan 8.280 nan 0.000 0.524 105 S N 0.261 115.690 115.700 -0.451 0.000 2.399 105 S HA -0.103 4.366 4.470 -0.002 0.000 0.231 105 S C 2.314 176.896 174.600 -0.030 0.000 1.022 105 S CA 1.126 59.261 58.200 -0.108 0.000 0.983 105 S CB -0.279 62.919 63.200 -0.005 0.000 0.803 105 S HN 0.180 nan 8.310 nan 0.000 0.480 106 S N 1.250 116.894 115.700 -0.093 0.000 2.368 106 S HA 0.128 4.596 4.470 -0.002 0.000 0.224 106 S C 1.377 175.920 174.600 -0.094 0.000 1.029 106 S CA 1.055 59.187 58.200 -0.114 0.000 0.988 106 S CB -0.571 62.507 63.200 -0.203 0.000 0.838 106 S HN 0.562 nan 8.310 nan 0.000 0.462 107 F N 1.731 121.657 119.950 -0.040 0.000 2.134 107 F HA -0.083 4.444 4.527 -0.001 0.000 0.299 107 F C 2.594 178.419 175.800 0.040 0.000 1.097 107 F CA 1.349 59.375 58.000 0.043 0.000 1.264 107 F CB -0.234 38.764 39.000 -0.002 0.000 1.001 107 F HN 0.069 nan 8.300 nan 0.000 0.479 108 R N 0.563 121.132 120.500 0.114 0.000 2.091 108 R HA -0.190 4.149 4.340 -0.002 0.000 0.238 108 R C 2.352 178.714 176.300 0.104 0.000 1.136 108 R CA 2.026 58.182 56.100 0.094 0.000 0.959 108 R CB -0.386 29.996 30.300 0.136 0.000 0.856 108 R HN 0.375 nan 8.270 nan 0.000 0.437 109 S N 0.330 116.078 115.700 0.079 0.000 2.387 109 S HA -0.083 4.386 4.470 -0.002 0.000 0.226 109 S C 2.100 176.729 174.600 0.047 0.000 1.026 109 S CA 0.809 59.041 58.200 0.053 0.000 0.972 109 S CB -0.398 62.819 63.200 0.029 0.000 0.814 109 S HN 0.298 nan 8.310 nan 0.000 0.477 110 L N 1.479 122.738 121.223 0.061 0.000 2.056 110 L HA -0.051 4.288 4.340 -0.002 0.000 0.207 110 L C 2.860 179.718 176.870 -0.020 0.000 1.078 110 L CA 1.256 56.105 54.840 0.015 0.000 0.749 110 L CB -0.714 41.385 42.059 0.066 0.000 0.901 110 L HN 0.312 nan 8.230 nan 0.000 0.433 111 S N -0.761 115.062 115.700 0.205 0.000 2.382 111 S HA -0.162 4.306 4.470 -0.002 0.000 0.228 111 S C 2.210 176.860 174.600 0.083 0.000 1.027 111 S CA 1.463 59.806 58.200 0.239 0.000 0.991 111 S CB -0.105 63.326 63.200 0.385 0.000 0.823 111 S HN 0.342 nan 8.310 nan 0.000 0.469 112 S N 1.544 117.287 115.700 0.072 0.000 2.368 112 S HA -0.015 4.453 4.470 -0.002 0.000 0.224 112 S C 2.263 176.877 174.600 0.023 0.000 1.029 112 S CA 0.949 59.178 58.200 0.049 0.000 0.988 112 S CB -0.445 62.784 63.200 0.048 0.000 0.838 112 S HN 0.608 nan 8.310 nan 0.000 0.462 113 A N 1.352 124.173 122.820 0.001 0.000 1.898 113 A HA -0.009 4.310 4.320 -0.002 0.000 0.216 113 A C 2.051 179.606 177.584 -0.048 0.000 1.181 113 A CA 1.139 53.191 52.037 0.024 0.000 0.620 113 A CB -0.676 18.355 19.000 0.052 0.000 0.819 113 A HN 0.479 nan 8.150 nan 0.000 0.442 114 I N 0.129 120.517 120.570 -0.303 0.000 2.361 114 I HA -0.210 3.959 4.170 -0.002 0.000 0.251 114 I C 1.572 177.609 176.117 -0.133 0.000 1.133 114 I CA 0.956 61.939 61.300 -0.529 0.000 1.413 114 I CB -0.264 37.255 38.000 -0.801 0.000 1.073 114 I HN 0.298 nan 8.210 nan 0.000 0.424 115 N N 1.151 119.833 118.700 -0.030 0.000 2.398 115 N HA 0.114 4.852 4.740 -0.002 0.000 0.188 115 N C 0.576 176.132 175.510 0.077 0.000 1.122 115 N CA 0.179 53.264 53.050 0.059 0.000 0.866 115 N CB 0.089 38.622 38.487 0.078 0.000 0.970 115 N HN 0.166 nan 8.380 nan 0.000 0.462 116 A N 1.458 124.323 122.820 0.076 0.000 2.546 116 A HA 0.148 4.467 4.320 -0.002 0.000 0.243 116 A C 0.700 178.316 177.584 0.053 0.000 1.063 116 A CA -0.244 51.833 52.037 0.067 0.000 0.757 116 A CB 0.009 19.053 19.000 0.075 0.000 0.991 116 A HN 0.303 nan 8.150 nan 0.000 0.503 117 S N 2.023 117.738 115.700 0.024 0.000 2.549 117 S HA 0.324 4.793 4.470 -0.002 0.000 0.286 117 S C 0.929 175.496 174.600 -0.055 0.000 1.314 117 S CA 0.240 58.435 58.200 -0.008 0.000 1.062 117 S CB 0.722 63.918 63.200 -0.006 0.000 0.865 117 S HN 1.264 nan 8.310 nan 0.000 0.498 118 T N -1.532 112.942 114.554 -0.134 0.000 2.980 118 T HA 0.503 4.852 4.350 -0.002 0.000 0.252 118 T C 1.625 176.209 174.700 -0.193 0.000 0.962 118 T CA 0.454 62.428 62.100 -0.210 0.000 0.932 118 T CB -0.434 68.163 68.868 -0.450 0.000 1.188 118 T HN 1.702 nan 8.240 nan 0.000 0.500 119 G N 2.278 110.974 108.800 -0.174 0.000 2.377 119 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.250 119 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.250 119 G C 1.066 175.876 174.900 -0.150 0.000 1.039 119 G CA 0.601 45.625 45.100 -0.127 0.000 0.625 119 G HN 0.509 nan 8.290 nan 0.000 0.526 120 N N -0.144 118.399 118.700 -0.263 0.000 2.416 120 N HA 0.215 4.953 4.740 -0.002 0.000 0.177 120 N C 0.555 176.016 175.510 -0.082 0.000 1.036 120 N CA 1.723 54.666 53.050 -0.179 0.000 0.901 120 N CB 0.057 38.444 38.487 -0.167 0.000 0.976 120 N HN 0.862 nan 8.380 nan 0.000 0.444 121 Y N -2.648 117.655 120.300 0.005 0.000 2.741 121 Y HA 0.473 5.021 4.550 -0.004 0.000 0.339 121 Y C -1.553 174.338 175.900 -0.016 0.000 1.226 121 Y CA -1.348 56.718 58.100 -0.057 0.000 1.072 121 Y CB 0.490 38.929 38.460 -0.035 0.000 1.331 121 Y HN -0.325 nan 8.280 nan 0.000 0.453 122 L N 2.944 124.288 121.223 0.201 0.000 2.275 122 L HA 0.684 5.023 4.340 -0.002 0.000 0.288 122 L C -1.165 175.922 176.870 0.362 0.000 1.046 122 L CA -0.821 54.154 54.840 0.225 0.000 0.805 122 L CB 1.517 43.695 42.059 0.199 0.000 1.193 122 L HN 0.615 nan 8.230 nan 0.000 0.426 123 L N 3.946 125.416 121.223 0.412 0.000 2.580 123 L HA 0.471 4.809 4.340 -0.002 0.000 0.266 123 L C -1.252 175.789 176.870 0.285 0.000 0.955 123 L CA 0.031 55.113 54.840 0.403 0.000 0.886 123 L CB 1.975 44.318 42.059 0.473 0.000 1.263 123 L HN 0.577 nan 8.230 nan 0.000 0.406 124 E N 2.651 123.020 120.200 0.282 0.000 2.308 124 E HA 0.597 4.945 4.350 -0.002 0.000 0.275 124 E C -1.549 175.202 176.600 0.252 0.000 0.890 124 E CA -0.761 55.777 56.400 0.230 0.000 0.754 124 E CB 2.364 32.191 29.700 0.211 0.000 1.207 124 E HN 0.448 nan 8.360 nan 0.000 0.426 125 S N 2.067 117.914 115.700 0.246 0.000 2.561 125 S HA 0.619 5.087 4.470 -0.002 0.000 0.303 125 S C -1.244 173.548 174.600 0.320 0.000 1.110 125 S CA -0.505 57.905 58.200 0.349 0.000 1.034 125 S CB 1.062 64.573 63.200 0.519 0.000 1.010 125 S HN 0.250 nan 8.310 nan 0.000 0.482 126 V N 5.581 125.694 119.914 0.331 0.000 2.733 126 V HA 0.529 4.648 4.120 -0.002 0.000 0.306 126 V C -0.723 175.620 176.094 0.415 0.000 1.084 126 V CA -1.098 61.409 62.300 0.345 0.000 0.905 126 V CB 2.155 34.167 31.823 0.315 0.000 1.010 126 V HN 0.892 nan 8.190 nan 0.000 0.424 127 N N 2.997 121.884 118.700 0.313 0.000 2.489 127 N HA 0.717 5.456 4.740 -0.002 0.000 0.284 127 N C -0.695 174.841 175.510 0.044 0.000 1.158 127 N CA -0.715 52.448 53.050 0.188 0.000 0.965 127 N CB 2.346 40.913 38.487 0.134 0.000 1.195 127 N HN 0.627 nan 8.380 nan 0.000 0.506 128 K N 0.613 120.896 120.400 -0.196 0.000 2.542 128 K HA 0.444 4.763 4.320 -0.002 0.000 0.259 128 K C -2.009 174.289 176.600 -0.502 0.000 0.932 128 K CA -0.500 55.450 56.287 -0.562 0.000 0.820 128 K CB 1.400 33.095 32.500 -1.341 0.000 1.345 128 K HN 0.523 nan 8.250 nan 0.000 0.432 129 L N 4.833 125.718 121.223 -0.564 0.000 2.325 129 L HA 0.643 4.982 4.340 -0.002 0.000 0.281 129 L C -1.538 175.020 176.870 -0.521 0.000 1.004 129 L CA -0.692 53.916 54.840 -0.387 0.000 0.823 129 L CB 0.530 42.432 42.059 -0.260 0.000 1.236 129 L HN 0.623 nan 8.230 nan 0.000 0.415 130 F N 3.560 123.436 119.950 -0.123 0.000 2.426 130 F HA 0.682 5.208 4.527 -0.002 0.000 0.348 130 F C 0.794 176.654 175.800 0.100 0.000 1.124 130 F CA -0.567 57.404 58.000 -0.049 0.000 1.008 130 F CB 1.919 40.909 39.000 -0.017 0.000 1.139 130 F HN 0.451 nan 8.300 nan 0.000 0.452 131 G N 1.606 110.545 108.800 0.231 0.000 2.482 131 G HA2 0.454 4.412 3.960 -0.002 0.000 0.317 131 G HA3 0.454 4.412 3.960 -0.002 0.000 0.317 131 G C -1.361 173.761 174.900 0.369 0.000 1.241 131 G CA -0.751 44.562 45.100 0.354 0.000 0.967 131 G HN 0.475 nan 8.290 nan 0.000 0.482 132 E N 0.752 121.286 120.200 0.557 0.000 2.480 132 E HA -0.022 4.327 4.350 -0.002 0.000 0.258 132 E C 1.683 178.386 176.600 0.171 0.000 0.984 132 E CA 0.042 56.651 56.400 0.348 0.000 0.930 132 E CB 0.797 30.715 29.700 0.364 0.000 0.936 132 E HN 0.589 nan 8.360 nan 0.000 0.466 133 K N 2.173 122.610 120.400 0.062 0.000 2.209 133 K HA -0.152 4.167 4.320 -0.002 0.000 0.204 133 K C 1.262 177.868 176.600 0.010 0.000 1.048 133 K CA 1.528 57.833 56.287 0.031 0.000 0.940 133 K CB -0.103 32.394 32.500 -0.005 0.000 0.729 133 K HN 0.396 nan 8.250 nan 0.000 0.451 134 S N -0.060 115.640 115.700 -0.000 0.000 2.593 134 S HA 0.294 4.763 4.470 -0.002 0.000 0.217 134 S C 0.775 175.324 174.600 -0.085 0.000 0.966 134 S CA -0.400 57.782 58.200 -0.030 0.000 0.914 134 S CB 0.083 63.273 63.200 -0.017 0.000 0.776 134 S HN 0.409 nan 8.310 nan 0.000 0.523 135 A N 1.039 123.775 122.820 -0.140 0.000 2.302 135 A HA 0.711 5.030 4.320 -0.002 0.000 0.285 135 A C 0.078 177.388 177.584 -0.457 0.000 1.105 135 A CA -0.513 51.303 52.037 -0.369 0.000 0.816 135 A CB 0.828 19.465 19.000 -0.605 0.000 1.067 135 A HN 0.265 nan 8.150 nan 0.000 0.489 136 S N 0.835 116.240 115.700 -0.491 0.000 2.594 136 S HA 0.585 5.053 4.470 -0.002 0.000 0.322 136 S C -0.831 173.529 174.600 -0.401 0.000 1.085 136 S CA -0.214 57.787 58.200 -0.332 0.000 1.116 136 S CB -0.225 62.883 63.200 -0.154 0.000 0.979 136 S HN 0.450 nan 8.310 nan 0.000 0.465 137 F N 1.859 121.819 119.950 0.018 0.000 2.380 137 F HA 0.482 5.008 4.527 -0.002 0.000 0.321 137 F C 1.114 176.937 175.800 0.038 0.000 1.103 137 F CA -1.158 56.853 58.000 0.020 0.000 1.067 137 F CB 0.606 39.631 39.000 0.041 0.000 1.265 137 F HN 0.318 nan 8.300 nan 0.000 0.517 138 R N 1.597 122.248 120.500 0.251 0.000 2.484 138 R HA -0.032 4.307 4.340 -0.002 0.000 0.293 138 R C 0.937 177.344 176.300 0.179 0.000 1.023 138 R CA 0.111 56.312 56.100 0.169 0.000 1.037 138 R CB 0.409 30.799 30.300 0.151 0.000 0.951 138 R HN 0.811 nan 8.270 nan 0.000 0.418 139 E N 2.853 123.120 120.200 0.112 0.000 2.077 139 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 139 E C 1.234 177.874 176.600 0.068 0.000 0.989 139 E CA 1.090 57.541 56.400 0.084 0.000 0.800 139 E CB 0.172 29.902 29.700 0.049 0.000 0.746 139 E HN 0.641 nan 8.360 nan 0.000 0.452 140 E N 0.271 120.512 120.200 0.069 0.000 2.118 140 E HA -0.201 4.148 4.350 -0.002 0.000 0.195 140 E C 1.834 178.459 176.600 0.041 0.000 0.992 140 E CA 0.891 57.320 56.400 0.047 0.000 0.804 140 E CB -0.311 29.420 29.700 0.052 0.000 0.741 140 E HN 0.382 nan 8.360 nan 0.000 0.458 141 Y N 1.219 121.519 120.300 0.000 0.000 2.163 141 Y HA -0.194 4.354 4.550 -0.002 0.000 0.288 141 Y C 2.168 178.041 175.900 -0.045 0.000 1.136 141 Y CA 1.273 59.357 58.100 -0.027 0.000 1.147 141 Y CB -0.147 38.300 38.460 -0.023 0.000 0.987 141 Y HN -0.069 nan 8.280 nan 0.000 0.509 142 I N 0.611 121.167 120.570 -0.024 0.000 2.226 142 I HA -0.286 3.883 4.170 -0.002 0.000 0.245 142 I C 2.571 178.596 176.117 -0.153 0.000 1.100 142 I CA 1.612 62.852 61.300 -0.100 0.000 1.374 142 I CB -1.311 36.710 38.000 0.034 0.000 1.057 142 I HN 0.298 nan 8.210 nan 0.000 0.413 143 R N 1.003 121.443 120.500 -0.100 0.000 2.073 143 R HA -0.146 4.193 4.340 -0.002 0.000 0.234 143 R C 2.385 178.596 176.300 -0.147 0.000 1.134 143 R CA 1.400 57.439 56.100 -0.102 0.000 0.952 143 R CB -0.157 30.105 30.300 -0.064 0.000 0.850 143 R HN 0.283 nan 8.270 nan 0.000 0.433 144 L N -0.368 120.760 121.223 -0.158 0.000 2.240 144 L HA -0.145 4.194 4.340 -0.002 0.000 0.211 144 L C 2.748 179.547 176.870 -0.119 0.000 1.106 144 L CA 0.481 55.250 54.840 -0.119 0.000 0.793 144 L CB -0.295 41.741 42.059 -0.039 0.000 0.927 144 L HN 0.414 nan 8.230 nan 0.000 0.446 145 C N -0.051 119.070 119.300 -0.299 0.000 2.446 145 C HA -0.162 4.296 4.460 -0.002 0.000 0.277 145 C C 2.942 177.891 174.990 -0.068 0.000 1.275 145 C CA 1.110 59.982 59.018 -0.244 0.000 1.727 145 C CB -0.259 27.112 27.740 -0.614 0.000 2.010 145 C HN 0.570 nan 8.230 nan 0.000 0.486 146 Q N 1.509 121.229 119.800 -0.134 0.000 2.050 146 Q HA -0.193 4.146 4.340 -0.002 0.000 0.202 146 Q C 2.245 178.180 176.000 -0.109 0.000 0.980 146 Q CA 2.300 58.045 55.803 -0.097 0.000 0.840 146 Q CB -0.554 28.121 28.738 -0.106 0.000 0.898 146 Q HN 0.724 nan 8.270 nan 0.000 0.424 147 K N -1.208 119.077 120.400 -0.191 0.000 2.032 147 K HA -0.197 4.122 4.320 -0.002 0.000 0.209 147 K C 1.622 177.992 176.600 -0.383 0.000 1.048 147 K CA 1.757 57.837 56.287 -0.344 0.000 0.927 147 K CB -0.251 31.914 32.500 -0.559 0.000 0.712 147 K HN 0.393 nan 8.250 nan 0.000 0.441 148 Y N -2.070 118.147 120.300 -0.138 0.000 2.497 148 Y HA 0.013 4.562 4.550 -0.002 0.000 0.265 148 Y C 0.858 176.394 175.900 -0.606 0.000 1.111 148 Y CA 0.139 58.046 58.100 -0.321 0.000 1.288 148 Y CB 0.571 38.822 38.460 -0.348 0.000 1.082 148 Y HN 0.078 nan 8.280 nan 0.000 0.536 149 Y N -1.716 118.625 120.300 0.069 0.000 2.471 149 Y HA 0.195 4.744 4.550 -0.002 0.000 0.249 149 Y C 0.996 176.909 175.900 0.021 0.000 1.116 149 Y CA -0.452 57.671 58.100 0.038 0.000 1.240 149 Y CB 0.487 38.919 38.460 -0.048 0.000 1.251 149 Y HN -0.221 nan 8.280 nan 0.000 0.527 150 S N 0.698 116.442 115.700 0.073 0.000 3.559 150 S HA -0.210 4.259 4.470 -0.002 0.000 0.369 150 S C 1.121 175.748 174.600 0.045 0.000 0.987 150 S CA 0.863 59.090 58.200 0.045 0.000 1.187 150 S CB -1.599 61.636 63.200 0.058 0.000 0.914 150 S HN 0.637 nan 8.310 nan 0.000 0.480 151 S N 0.020 115.720 115.700 0.001 0.000 2.575 151 S HA 0.163 4.632 4.470 -0.002 0.000 0.215 151 S C 0.249 174.749 174.600 -0.165 0.000 0.966 151 S CA -0.184 57.971 58.200 -0.074 0.000 0.911 151 S CB -0.030 63.103 63.200 -0.111 0.000 0.780 151 S HN 0.512 nan 8.310 nan 0.000 0.514 152 E N 1.174 121.304 120.200 -0.116 0.000 2.160 152 E HA -0.125 4.224 4.350 -0.002 0.000 0.180 152 E C -2.495 173.977 176.600 -0.213 0.000 1.452 152 E CA 0.363 56.686 56.400 -0.129 0.000 0.683 152 E CB -2.063 27.587 29.700 -0.083 0.000 1.072 152 E HN 0.434 nan 8.360 nan 0.000 0.332 153 P HA -0.050 nan 4.420 nan 0.000 0.261 153 P C -0.078 177.112 177.300 -0.182 0.000 1.183 153 P CA 0.806 63.782 63.100 -0.207 0.000 0.761 153 P CB 0.496 32.118 31.700 -0.130 0.000 0.785 154 Q N 2.636 122.293 119.800 -0.239 0.000 2.337 154 Q HA 0.641 4.980 4.340 -0.002 0.000 0.270 154 Q C -1.121 174.847 176.000 -0.053 0.000 1.043 154 Q CA -1.005 54.702 55.803 -0.159 0.000 0.794 154 Q CB 1.647 30.232 28.738 -0.255 0.000 1.281 154 Q HN 0.461 nan 8.270 nan 0.000 0.446 155 A N 2.707 125.521 122.820 -0.010 0.000 2.401 155 A HA 0.599 4.918 4.320 -0.002 0.000 0.259 155 A C -0.340 177.223 177.584 -0.034 0.000 1.103 155 A CA -0.220 51.822 52.037 0.008 0.000 0.789 155 A CB 0.390 19.401 19.000 0.017 0.000 1.035 155 A HN 0.690 nan 8.150 nan 0.000 0.491 156 V N -0.531 119.309 119.914 -0.123 0.000 3.130 156 V HA 0.670 4.789 4.120 -0.002 0.000 0.310 156 V C -0.877 175.011 176.094 -0.343 0.000 1.158 156 V CA -0.871 61.261 62.300 -0.280 0.000 1.029 156 V CB 2.156 33.692 31.823 -0.479 0.000 1.057 156 V HN 0.717 nan 8.190 nan 0.000 0.436 157 D N 1.109 121.335 120.400 -0.290 0.000 2.524 157 D HA 0.391 5.030 4.640 -0.002 0.000 0.222 157 D C 0.374 176.594 176.300 -0.132 0.000 1.142 157 D CA -0.437 53.470 54.000 -0.155 0.000 0.973 157 D CB 0.058 40.811 40.800 -0.077 0.000 1.025 157 D HN 0.451 nan 8.370 nan 0.000 0.519 158 F N 1.406 121.364 119.950 0.013 0.000 2.206 158 F HA -0.024 4.502 4.527 -0.002 0.000 0.298 158 F C 2.033 177.834 175.800 0.001 0.000 1.090 158 F CA 0.139 58.140 58.000 0.002 0.000 1.323 158 F CB -0.421 38.583 39.000 0.007 0.000 1.028 158 F HN 0.319 nan 8.300 nan 0.000 0.492 159 L N 0.149 121.485 121.223 0.187 0.000 2.079 159 L HA -0.200 4.138 4.340 -0.002 0.000 0.210 159 L C 1.760 178.672 176.870 0.071 0.000 1.081 159 L CA 2.108 57.014 54.840 0.109 0.000 0.752 159 L CB -0.452 41.650 42.059 0.072 0.000 0.896 159 L HN 0.184 nan 8.230 nan 0.000 0.433 160 E N -3.331 116.902 120.200 0.054 0.000 2.474 160 E HA 0.164 4.513 4.350 -0.002 0.000 0.215 160 E C 0.381 176.997 176.600 0.028 0.000 0.867 160 E CA 0.279 56.699 56.400 0.033 0.000 1.135 160 E CB 0.602 30.313 29.700 0.018 0.000 1.147 160 E HN 0.325 nan 8.360 nan 0.000 0.534 161 C N 1.169 120.485 119.300 0.027 0.000 2.955 161 C HA 0.475 4.934 4.460 -0.002 0.000 0.229 161 C C 1.538 176.544 174.990 0.027 0.000 1.842 161 C CA -0.519 58.506 59.018 0.011 0.000 1.539 161 C CB -0.359 27.371 27.740 -0.017 0.000 2.869 161 C HN 0.435 nan 8.230 nan 0.000 0.503 162 A N 0.832 123.698 122.820 0.078 0.000 1.902 162 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 162 A C 2.095 179.731 177.584 0.087 0.000 1.181 162 A CA 2.146 54.271 52.037 0.147 0.000 0.623 162 A CB -0.256 18.823 19.000 0.133 0.000 0.818 162 A HN 0.584 nan 8.150 nan 0.000 0.443 163 E N 0.222 120.446 120.200 0.041 0.000 2.106 163 E HA -0.135 4.214 4.350 -0.002 0.000 0.192 163 E C 1.891 178.490 176.600 -0.001 0.000 0.984 163 E CA 1.513 57.923 56.400 0.016 0.000 0.806 163 E CB -0.243 29.463 29.700 0.010 0.000 0.750 163 E HN 0.712 nan 8.360 nan 0.000 0.458 164 E N -0.286 119.909 120.200 -0.008 0.000 2.106 164 E HA -0.165 4.184 4.350 -0.002 0.000 0.192 164 E C 2.004 178.570 176.600 -0.056 0.000 0.984 164 E CA 0.856 57.239 56.400 -0.028 0.000 0.806 164 E CB -0.168 29.514 29.700 -0.030 0.000 0.750 164 E HN 0.354 nan 8.360 nan 0.000 0.458 165 A N 1.675 124.452 122.820 -0.071 0.000 1.877 165 A HA -0.230 4.089 4.320 -0.002 0.000 0.216 165 A C 2.112 179.636 177.584 -0.101 0.000 1.186 165 A CA 1.606 53.553 52.037 -0.150 0.000 0.620 165 A CB -0.519 18.333 19.000 -0.247 0.000 0.822 165 A HN 0.087 nan 8.150 nan 0.000 0.443 166 R N -0.212 120.280 120.500 -0.013 0.000 2.096 166 R HA -0.199 4.140 4.340 -0.002 0.000 0.240 166 R C 2.172 178.429 176.300 -0.071 0.000 1.139 166 R CA 2.123 58.199 56.100 -0.040 0.000 0.952 166 R CB -0.258 30.025 30.300 -0.028 0.000 0.854 166 R HN 0.527 nan 8.270 nan 0.000 0.436 167 K N 0.068 120.437 120.400 -0.051 0.000 2.097 167 K HA -0.149 4.170 4.320 -0.002 0.000 0.206 167 K C 2.128 178.703 176.600 -0.042 0.000 1.049 167 K CA 1.734 57.998 56.287 -0.037 0.000 0.933 167 K CB 0.042 32.529 32.500 -0.022 0.000 0.717 167 K HN 0.120 nan 8.250 nan 0.000 0.442 168 K N 0.576 120.931 120.400 -0.074 0.000 2.026 168 K HA -0.091 4.228 4.320 -0.002 0.000 0.208 168 K C 1.988 178.518 176.600 -0.116 0.000 1.048 168 K CA 1.336 57.582 56.287 -0.069 0.000 0.929 168 K CB -0.077 32.364 32.500 -0.098 0.000 0.713 168 K HN 0.076 nan 8.250 nan 0.000 0.439 169 I N 1.393 121.768 120.570 -0.325 0.000 2.179 169 I HA -0.308 3.860 4.170 -0.002 0.000 0.242 169 I C 1.804 177.901 176.117 -0.034 0.000 1.088 169 I CA 1.029 62.049 61.300 -0.466 0.000 1.357 169 I CB -0.378 37.255 38.000 -0.611 0.000 1.051 169 I HN 0.185 nan 8.210 nan 0.000 0.409 170 N N 0.652 119.338 118.700 -0.023 0.000 2.104 170 N HA -0.152 4.587 4.740 -0.002 0.000 0.190 170 N C 2.019 177.582 175.510 0.088 0.000 1.024 170 N CA 1.557 54.633 53.050 0.043 0.000 0.853 170 N CB -0.385 38.106 38.487 0.007 0.000 1.008 170 N HN 0.218 nan 8.380 nan 0.000 0.424 171 S N -0.309 115.439 115.700 0.079 0.000 2.383 171 S HA -0.125 4.344 4.470 -0.002 0.000 0.227 171 S C 1.603 176.288 174.600 0.141 0.000 1.026 171 S CA 0.683 58.936 58.200 0.088 0.000 0.981 171 S CB -0.293 62.949 63.200 0.071 0.000 0.818 171 S HN 0.562 nan 8.310 nan 0.000 0.472 172 W N 2.185 123.514 121.300 0.050 0.000 2.355 172 W HA -0.143 4.516 4.660 -0.002 0.000 0.309 172 W C 1.904 178.489 176.519 0.111 0.000 1.206 172 W CA 1.049 58.465 57.345 0.118 0.000 1.284 172 W CB -0.420 29.198 29.460 0.263 0.000 1.145 172 W HN -0.007 nan 8.180 nan 0.000 0.502 173 V N 1.243 121.387 119.914 0.383 0.000 2.427 173 V HA -0.308 3.811 4.120 -0.002 0.000 0.248 173 V C 2.408 178.514 176.094 0.020 0.000 1.051 173 V CA 2.276 64.699 62.300 0.205 0.000 1.048 173 V CB -1.055 30.951 31.823 0.305 0.000 0.666 173 V HN 0.205 nan 8.190 nan 0.000 0.456 174 K N 0.073 120.493 120.400 0.034 0.000 2.032 174 K HA -0.218 4.101 4.320 -0.002 0.000 0.209 174 K C 2.201 178.754 176.600 -0.077 0.000 1.048 174 K CA 2.136 58.421 56.287 -0.004 0.000 0.927 174 K CB -0.350 32.157 32.500 0.011 0.000 0.712 174 K HN 0.491 nan 8.250 nan 0.000 0.441 175 T N 1.508 115.987 114.554 -0.126 0.000 2.720 175 T HA -0.129 4.219 4.350 -0.002 0.000 0.268 175 T C 1.738 176.275 174.700 -0.272 0.000 1.037 175 T CA 1.255 63.240 62.100 -0.191 0.000 1.144 175 T CB -0.136 68.610 68.868 -0.202 0.000 0.864 175 T HN 0.306 nan 8.240 nan 0.000 0.444 176 Q N 1.040 120.609 119.800 -0.384 0.000 2.224 176 Q HA -0.019 4.320 4.340 -0.002 0.000 0.203 176 Q C 2.318 178.204 176.000 -0.191 0.000 0.970 176 Q CA 1.321 56.900 55.803 -0.373 0.000 0.865 176 Q CB -0.927 27.464 28.738 -0.580 0.000 0.922 176 Q HN 0.735 nan 8.270 nan 0.000 0.445 177 T N -2.123 112.363 114.554 -0.113 0.000 3.206 177 T HA 0.170 4.518 4.350 -0.002 0.000 0.253 177 T C 0.134 174.762 174.700 -0.120 0.000 1.042 177 T CA -0.462 61.649 62.100 0.018 0.000 0.931 177 T CB 0.210 69.166 68.868 0.147 0.000 1.029 177 T HN -0.023 nan 8.240 nan 0.000 0.564 178 K N 0.815 121.048 120.400 -0.279 0.000 3.071 178 K HA -0.203 4.116 4.320 -0.002 0.000 0.265 178 K C 1.235 177.768 176.600 -0.112 0.000 1.060 178 K CA 0.819 56.934 56.287 -0.288 0.000 0.767 178 K CB -2.541 29.623 32.500 -0.559 0.000 1.241 178 K HN 1.163 nan 8.250 nan 0.000 0.486 179 G N -0.474 108.288 108.800 -0.063 0.000 2.179 179 G HA2 -0.375 3.584 3.960 -0.002 0.000 0.260 179 G HA3 -0.375 3.584 3.960 -0.002 0.000 0.260 179 G C 0.900 175.815 174.900 0.025 0.000 0.977 179 G CA 0.594 45.684 45.100 -0.015 0.000 0.641 179 G HN 0.272 nan 8.290 nan 0.000 0.533 180 K N -0.118 120.317 120.400 0.059 0.000 2.296 180 K HA 0.241 4.560 4.320 -0.002 0.000 0.200 180 K C 1.141 177.790 176.600 0.082 0.000 1.048 180 K CA 0.626 56.967 56.287 0.090 0.000 0.966 180 K CB 0.241 32.835 32.500 0.157 0.000 0.754 180 K HN 0.492 nan 8.250 nan 0.000 0.466 181 I N 3.083 123.701 120.570 0.079 0.000 2.621 181 I HA 0.117 4.286 4.170 -0.002 0.000 0.276 181 I C -1.972 174.179 176.117 0.055 0.000 1.118 181 I CA -1.784 59.554 61.300 0.063 0.000 1.159 181 I CB 1.209 39.261 38.000 0.087 0.000 1.357 181 I HN -0.200 nan 8.210 nan 0.000 0.513 182 P HA 0.015 nan 4.420 nan 0.000 0.227 182 P C 0.148 177.476 177.300 0.047 0.000 1.161 182 P CA 0.889 64.017 63.100 0.046 0.000 0.788 182 P CB 0.735 32.461 31.700 0.043 0.000 0.822 183 N N 0.029 118.761 118.700 0.054 0.000 2.726 183 N HA 0.077 4.816 4.740 -0.002 0.000 0.253 183 N C 0.664 176.199 175.510 0.041 0.000 1.530 183 N CA -0.293 52.784 53.050 0.044 0.000 0.772 183 N CB 1.084 39.602 38.487 0.051 0.000 1.220 183 N HN -0.091 nan 8.380 nan 0.000 0.508 184 L N 0.969 122.213 121.223 0.036 0.000 1.989 184 L HA 0.038 4.377 4.340 -0.002 0.000 0.211 184 L C 0.243 177.095 176.870 -0.030 0.000 1.071 184 L CA 1.965 56.828 54.840 0.039 0.000 0.749 184 L CB -0.085 42.029 42.059 0.092 0.000 0.890 184 L HN 0.337 nan 8.230 nan 0.000 0.431 185 L N 2.299 123.451 121.223 -0.119 0.000 2.260 185 L HA 0.321 4.660 4.340 -0.002 0.000 0.289 185 L C -2.014 174.681 176.870 -0.292 0.000 1.057 185 L CA -1.969 52.661 54.840 -0.350 0.000 0.811 185 L CB 0.477 42.368 42.059 -0.279 0.000 1.184 185 L HN 0.116 nan 8.230 nan 0.000 0.429 186 P HA 0.092 nan 4.420 nan 0.000 0.274 186 P C -0.641 176.572 177.300 -0.145 0.000 1.256 186 P CA -0.618 62.383 63.100 -0.165 0.000 0.795 186 P CB 0.557 32.205 31.700 -0.087 0.000 1.038 187 E N -0.221 119.940 120.200 -0.066 0.000 2.529 187 E HA 0.176 4.524 4.350 -0.002 0.000 0.259 187 E C 1.118 177.698 176.600 -0.033 0.000 0.966 187 E CA 0.984 57.359 56.400 -0.042 0.000 0.937 187 E CB -0.557 29.133 29.700 -0.017 0.000 0.923 187 E HN 0.824 nan 8.360 nan 0.000 0.468 188 G N 2.455 111.239 108.800 -0.027 0.000 2.199 188 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.254 188 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.254 188 G C 1.075 175.976 174.900 0.001 0.000 0.982 188 G CA 0.594 45.693 45.100 -0.002 0.000 0.632 188 G HN 0.628 nan 8.290 nan 0.000 0.529 189 S N -1.220 114.442 115.700 -0.062 0.000 2.453 189 S HA 0.430 4.899 4.470 -0.002 0.000 0.231 189 S C 0.858 175.428 174.600 -0.050 0.000 1.005 189 S CA 1.103 59.262 58.200 -0.069 0.000 0.949 189 S CB 0.438 63.341 63.200 -0.495 0.000 0.774 189 S HN 1.042 nan 8.310 nan 0.000 0.510 190 V N 2.688 122.559 119.914 -0.070 0.000 2.769 190 V HA 0.671 4.789 4.120 -0.002 0.000 0.312 190 V C -0.850 175.222 176.094 -0.036 0.000 1.061 190 V CA -0.623 61.625 62.300 -0.086 0.000 0.931 190 V CB 2.084 33.877 31.823 -0.050 0.000 1.010 190 V HN 0.619 nan 8.190 nan 0.000 0.433 191 D N 1.807 122.177 120.400 -0.051 0.000 2.825 191 D HA 0.338 4.977 4.640 -0.002 0.000 0.327 191 D C 1.041 177.351 176.300 0.017 0.000 1.277 191 D CA 0.131 54.132 54.000 0.001 0.000 0.950 191 D CB 0.998 41.801 40.800 0.004 0.000 1.438 191 D HN 0.560 nan 8.370 nan 0.000 0.526 192 G N -1.038 107.784 108.800 0.037 0.000 2.498 192 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.219 192 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.219 192 G C 0.508 175.431 174.900 0.038 0.000 1.119 192 G CA 0.736 45.869 45.100 0.055 0.000 0.766 192 G HN 0.497 nan 8.290 nan 0.000 0.552 193 D N -0.016 120.385 120.400 0.002 0.000 2.360 193 D HA 0.046 4.685 4.640 -0.002 0.000 0.210 193 D C 0.784 177.026 176.300 -0.095 0.000 1.047 193 D CA 0.262 54.253 54.000 -0.015 0.000 0.854 193 D CB 0.184 40.990 40.800 0.009 0.000 0.936 193 D HN 0.071 nan 8.370 nan 0.000 0.514 194 T N 1.264 115.708 114.554 -0.184 0.000 2.916 194 T HA 0.115 4.464 4.350 -0.002 0.000 0.303 194 T C 1.421 175.903 174.700 -0.364 0.000 1.025 194 T CA 0.002 61.847 62.100 -0.426 0.000 1.142 194 T CB 1.645 70.038 68.868 -0.791 0.000 0.947 194 T HN -0.065 nan 8.240 nan 0.000 0.544 195 R N 1.609 121.949 120.500 -0.267 0.000 2.287 195 R HA 0.364 4.703 4.340 -0.002 0.000 0.197 195 R C 0.273 176.687 176.300 0.191 0.000 0.900 195 R CA 0.247 56.382 56.100 0.058 0.000 1.052 195 R CB 0.330 30.712 30.300 0.136 0.000 1.117 195 R HN 0.594 nan 8.270 nan 0.000 0.568 196 M N 0.638 120.181 119.600 -0.095 0.000 2.365 196 M HA 0.309 4.788 4.480 -0.002 0.000 0.287 196 M C -1.870 174.347 176.300 -0.138 0.000 1.154 196 M CA -0.551 54.711 55.300 -0.063 0.000 0.941 196 M CB 2.570 34.994 32.600 -0.294 0.000 1.704 196 M HN -0.285 nan 8.290 nan 0.000 0.479 197 V N 5.632 125.573 119.914 0.045 0.000 2.409 197 V HA 0.491 4.610 4.120 -0.002 0.000 0.291 197 V C -0.624 175.517 176.094 0.077 0.000 1.020 197 V CA -0.600 61.726 62.300 0.044 0.000 0.848 197 V CB 1.698 33.594 31.823 0.121 0.000 0.990 197 V HN 0.767 nan 8.190 nan 0.000 0.430 198 L N 5.666 126.879 121.223 -0.016 0.000 2.275 198 L HA 0.715 5.054 4.340 -0.002 0.000 0.288 198 L C -0.593 176.282 176.870 0.009 0.000 1.046 198 L CA -0.520 54.291 54.840 -0.049 0.000 0.805 198 L CB 1.739 43.724 42.059 -0.124 0.000 1.193 198 L HN 0.369 nan 8.230 nan 0.000 0.426 199 V N 2.926 122.850 119.914 0.015 0.000 2.789 199 V HA 0.454 4.573 4.120 -0.002 0.000 0.311 199 V C -0.557 175.606 176.094 0.115 0.000 1.073 199 V CA -0.780 61.583 62.300 0.104 0.000 0.921 199 V CB 2.212 34.145 31.823 0.182 0.000 1.009 199 V HN 0.795 nan 8.190 nan 0.000 0.426 200 N N 2.177 120.988 118.700 0.185 0.000 2.269 200 N HA 0.777 5.516 4.740 -0.002 0.000 0.304 200 N C -1.057 174.657 175.510 0.340 0.000 1.072 200 N CA -0.214 52.977 53.050 0.236 0.000 0.802 200 N CB 2.553 41.104 38.487 0.107 0.000 1.348 200 N HN 0.886 nan 8.380 nan 0.000 0.484 201 A N 2.371 125.427 122.820 0.394 0.000 2.365 201 A HA 0.658 4.977 4.320 -0.002 0.000 0.318 201 A C -1.239 176.539 177.584 0.324 0.000 1.091 201 A CA -0.657 51.581 52.037 0.334 0.000 0.763 201 A CB 1.644 20.789 19.000 0.242 0.000 1.248 201 A HN 0.424 nan 8.150 nan 0.000 0.442 202 V N 2.416 122.538 119.914 0.347 0.000 2.760 202 V HA 0.754 4.873 4.120 -0.002 0.000 0.309 202 V C -2.031 174.342 176.094 0.465 0.000 1.077 202 V CA -0.536 61.995 62.300 0.385 0.000 0.910 202 V CB 1.932 33.977 31.823 0.370 0.000 1.008 202 V HN 1.035 nan 8.190 nan 0.000 0.424 203 Y N 6.670 127.156 120.300 0.310 0.000 2.406 203 Y HA 0.758 5.307 4.550 -0.001 0.000 0.340 203 Y C -1.708 174.396 175.900 0.339 0.000 0.975 203 Y CA -1.247 57.022 58.100 0.281 0.000 1.056 203 Y CB 2.021 40.567 38.460 0.143 0.000 1.210 203 Y HN 0.708 nan 8.280 nan 0.000 0.448 204 F N 6.521 126.113 119.950 -0.596 0.000 2.561 204 F HA 0.631 5.156 4.527 -0.003 0.000 0.313 204 F C -1.756 173.601 175.800 -0.738 0.000 1.126 204 F CA -0.827 56.899 58.000 -0.456 0.000 0.918 204 F CB 1.543 40.446 39.000 -0.162 0.000 1.199 204 F HN 0.488 nan 8.300 nan 0.000 0.444 205 K N 4.430 124.105 120.400 -1.208 0.000 2.578 205 K HA 0.696 5.015 4.320 -0.002 0.000 0.250 205 K C -1.018 174.908 176.600 -1.123 0.000 0.955 205 K CA -0.642 54.998 56.287 -1.079 0.000 0.825 205 K CB 1.598 33.834 32.500 -0.441 0.000 1.151 205 K HN 0.948 nan 8.250 nan 0.000 0.432 206 G N 2.778 110.775 108.800 -1.339 0.000 2.605 206 G HA2 0.504 4.462 3.960 -0.002 0.000 0.296 206 G HA3 0.504 4.462 3.960 -0.002 0.000 0.296 206 G C -1.393 173.243 174.900 -0.440 0.000 1.304 206 G CA -0.669 43.947 45.100 -0.807 0.000 0.941 206 G HN 0.438 nan 8.290 nan 0.000 0.475 207 K N -0.172 120.145 120.400 -0.138 0.000 2.259 207 K HA 0.326 4.644 4.320 -0.002 0.000 0.249 207 K C -0.964 175.686 176.600 0.083 0.000 0.942 207 K CA -0.600 55.643 56.287 -0.074 0.000 0.816 207 K CB 2.298 34.793 32.500 -0.008 0.000 1.155 207 K HN 0.553 nan 8.250 nan 0.000 0.428 208 W N 2.400 123.808 121.300 0.179 0.000 2.148 208 W HA 0.042 4.700 4.660 -0.004 0.000 0.347 208 W C 1.669 178.186 176.519 -0.002 0.000 1.288 208 W CA -0.006 57.362 57.345 0.039 0.000 1.252 208 W CB 0.401 29.834 29.460 -0.045 0.000 1.156 208 W HN 0.677 nan 8.180 nan 0.000 0.580 209 K N 0.167 120.704 120.400 0.228 0.000 2.097 209 K HA -0.106 4.212 4.320 -0.002 0.000 0.206 209 K C 0.079 176.698 176.600 0.032 0.000 1.049 209 K CA 1.204 57.549 56.287 0.096 0.000 0.933 209 K CB -0.054 32.470 32.500 0.039 0.000 0.717 209 K HN 0.389 nan 8.250 nan 0.000 0.442 210 T N 3.392 117.931 114.554 -0.025 0.000 2.840 210 T HA 0.324 4.673 4.350 -0.002 0.000 0.287 210 T C -2.742 171.864 174.700 -0.158 0.000 0.991 210 T CA -1.626 60.398 62.100 -0.126 0.000 0.964 210 T CB 1.976 70.696 68.868 -0.246 0.000 0.954 210 T HN 0.073 nan 8.240 nan 0.000 0.438 211 P HA 0.278 nan 4.420 nan 0.000 0.270 211 P C -0.693 176.493 177.300 -0.191 0.000 1.223 211 P CA -0.448 62.653 63.100 0.001 0.000 0.785 211 P CB 0.511 32.242 31.700 0.051 0.000 0.923 212 F N -0.140 119.754 119.950 -0.093 0.000 2.370 212 F HA 0.224 4.751 4.527 -0.000 0.000 0.324 212 F C 1.475 177.243 175.800 -0.054 0.000 1.116 212 F CA -0.171 57.739 58.000 -0.151 0.000 1.123 212 F CB 0.626 39.509 39.000 -0.195 0.000 1.238 212 F HN 0.222 nan 8.300 nan 0.000 0.536 213 E N 1.341 121.645 120.200 0.173 0.000 2.259 213 E HA 0.129 4.478 4.350 -0.002 0.000 0.281 213 E C -0.622 176.069 176.600 0.151 0.000 1.027 213 E CA -0.703 55.786 56.400 0.148 0.000 0.838 213 E CB 1.071 30.869 29.700 0.162 0.000 1.066 213 E HN 0.316 nan 8.360 nan 0.000 0.401 214 K N 3.522 123.988 120.400 0.110 0.000 2.310 214 K HA 0.061 4.380 4.320 -0.002 0.000 0.290 214 K C -0.090 176.570 176.600 0.100 0.000 1.077 214 K CA -0.232 56.105 56.287 0.083 0.000 0.922 214 K CB 0.498 33.035 32.500 0.062 0.000 1.057 214 K HN 0.202 nan 8.250 nan 0.000 0.479 220 F N 2.025 122.019 119.950 0.073 0.000 2.546 220 F HA 0.651 5.177 4.527 -0.001 0.000 0.320 220 F C -2.119 173.739 175.800 0.096 0.000 1.076 220 F CA -2.362 55.675 58.000 0.062 0.000 0.928 220 F CB 1.791 40.828 39.000 0.062 0.000 1.189 220 F HN 0.116 nan 8.300 nan 0.000 0.465 221 P HA 0.080 nan 4.420 nan 0.000 0.271 221 P C -0.904 176.548 177.300 0.253 0.000 1.220 221 P CA 0.180 63.394 63.100 0.190 0.000 0.768 221 P CB 0.348 32.101 31.700 0.089 0.000 0.848 222 F N 3.844 123.869 119.950 0.125 0.000 2.427 222 F HA 0.407 4.932 4.527 -0.003 0.000 0.346 222 F C 0.853 176.706 175.800 0.089 0.000 1.120 222 F CA -1.175 56.903 58.000 0.130 0.000 1.033 222 F CB 1.267 40.357 39.000 0.149 0.000 1.126 222 F HN 0.166 nan 8.300 nan 0.000 0.462 223 R N 5.263 125.611 120.500 -0.255 0.000 2.248 223 R HA 0.314 4.653 4.340 -0.002 0.000 0.328 223 R C -0.170 176.095 176.300 -0.059 0.000 1.067 223 R CA -0.174 55.857 56.100 -0.115 0.000 0.924 223 R CB 0.786 31.002 30.300 -0.139 0.000 1.013 223 R HN 0.774 nan 8.270 nan 0.000 0.454 224 V N 3.932 123.916 119.914 0.116 0.000 2.426 224 V HA -0.009 4.109 4.120 -0.002 0.000 0.242 224 V C 0.308 176.436 176.094 0.057 0.000 1.036 224 V CA 1.458 63.847 62.300 0.148 0.000 1.044 224 V CB -0.684 31.218 31.823 0.131 0.000 0.688 224 V HN 0.974 nan 8.190 nan 0.000 0.462 225 N N -2.312 116.405 118.700 0.028 0.000 3.277 225 N HA 0.086 4.825 4.740 -0.002 0.000 0.278 225 N C 0.554 176.061 175.510 -0.005 0.000 1.544 225 N CA 0.073 53.128 53.050 0.008 0.000 0.869 225 N CB 0.751 39.244 38.487 0.011 0.000 1.584 225 N HN -0.091 nan 8.380 nan 0.000 0.564 226 S N -2.236 113.457 115.700 -0.011 0.000 2.500 226 S HA 0.009 4.478 4.470 -0.002 0.000 0.239 226 S C 1.166 175.759 174.600 -0.012 0.000 0.989 226 S CA 0.778 58.967 58.200 -0.018 0.000 0.951 226 S CB -0.644 62.545 63.200 -0.018 0.000 0.759 226 S HN 0.855 nan 8.310 nan 0.000 0.523 227 A N -0.176 122.642 122.820 -0.004 0.000 2.469 227 A HA 0.445 4.763 4.320 -0.002 0.000 0.245 227 A C 0.393 177.981 177.584 0.006 0.000 1.221 227 A CA -0.467 51.570 52.037 -0.001 0.000 0.946 227 A CB 0.402 19.402 19.000 -0.000 0.000 1.049 227 A HN 0.526 nan 8.150 nan 0.000 0.529 228 Q N -0.018 119.790 119.800 0.013 0.000 2.284 228 Q HA 0.498 4.837 4.340 -0.002 0.000 0.269 228 Q C -1.358 174.668 176.000 0.043 0.000 1.026 228 Q CA -0.470 55.349 55.803 0.026 0.000 0.831 228 Q CB 2.502 31.258 28.738 0.030 0.000 1.322 228 Q HN 0.382 nan 8.270 nan 0.000 0.419 229 R N 0.907 121.438 120.500 0.052 0.000 2.670 229 R HA 0.701 5.039 4.340 -0.002 0.000 0.289 229 R C -0.965 175.395 176.300 0.100 0.000 0.965 229 R CA -0.591 55.558 56.100 0.083 0.000 0.899 229 R CB 2.274 32.608 30.300 0.057 0.000 1.173 229 R HN 0.443 nan 8.270 nan 0.000 0.456 230 T N 3.272 117.920 114.554 0.155 0.000 2.886 230 T HA 0.371 4.720 4.350 -0.002 0.000 0.292 230 T C -2.674 172.128 174.700 0.169 0.000 1.012 230 T CA -1.720 60.460 62.100 0.132 0.000 0.982 230 T CB 2.208 71.138 68.868 0.104 0.000 1.018 230 T HN 0.266 nan 8.240 nan 0.000 0.451 231 P HA 0.374 nan 4.420 nan 0.000 0.275 231 P C -0.866 176.527 177.300 0.155 0.000 1.227 231 P CA -0.488 62.701 63.100 0.149 0.000 0.781 231 P CB 0.566 32.328 31.700 0.104 0.000 0.906 232 V N 0.078 120.113 119.914 0.202 0.000 3.007 232 V HA 0.565 4.684 4.120 -0.002 0.000 0.311 232 V C -0.552 175.646 176.094 0.175 0.000 1.120 232 V CA -1.385 61.014 62.300 0.164 0.000 0.980 232 V CB 1.903 33.819 31.823 0.155 0.000 1.033 232 V HN 0.294 nan 8.190 nan 0.000 0.429 233 Q N 3.601 123.472 119.800 0.117 0.000 2.281 233 Q HA 0.417 4.755 4.340 -0.002 0.000 0.267 233 Q C -0.487 175.541 176.000 0.047 0.000 1.053 233 Q CA 0.227 56.090 55.803 0.100 0.000 0.905 233 Q CB 0.784 29.559 28.738 0.062 0.000 1.195 233 Q HN 0.752 nan 8.270 nan 0.000 0.398 234 M N 3.927 123.540 119.600 0.023 0.000 2.409 234 M HA 0.457 4.936 4.480 -0.002 0.000 0.329 234 M C -0.410 175.843 176.300 -0.078 0.000 1.180 234 M CA -0.175 55.059 55.300 -0.110 0.000 1.053 234 M CB 1.426 33.768 32.600 -0.429 0.000 1.586 234 M HN 0.709 nan 8.290 nan 0.000 0.461 235 M N 1.564 121.078 119.600 -0.143 0.000 2.456 235 M HA 0.438 4.917 4.480 -0.002 0.000 0.324 235 M C -1.438 174.870 176.300 0.013 0.000 1.124 235 M CA -0.717 54.507 55.300 -0.126 0.000 0.959 235 M CB 2.383 34.686 32.600 -0.495 0.000 1.692 235 M HN 0.563 nan 8.290 nan 0.000 0.444 236 Y N 2.809 123.124 120.300 0.025 0.000 2.462 236 Y HA 0.771 5.321 4.550 -0.000 0.000 0.346 236 Y C -2.036 173.828 175.900 -0.060 0.000 0.976 236 Y CA -1.168 56.834 58.100 -0.162 0.000 1.044 236 Y CB 1.567 39.837 38.460 -0.317 0.000 1.230 236 Y HN 0.671 nan 8.280 nan 0.000 0.455 237 L N 6.200 126.886 121.223 -0.895 0.000 2.455 237 L HA 0.620 4.959 4.340 -0.002 0.000 0.264 237 L C -1.787 174.403 176.870 -1.133 0.000 0.968 237 L CA -0.708 53.570 54.840 -0.937 0.000 0.827 237 L CB 2.129 43.527 42.059 -1.101 0.000 1.317 237 L HN 0.772 nan 8.230 nan 0.000 0.407 238 R N 3.325 123.349 120.500 -0.793 0.000 2.393 238 R HA 0.729 5.067 4.340 -0.002 0.000 0.315 238 R C -1.345 174.758 176.300 -0.329 0.000 0.952 238 R CA -0.307 55.492 56.100 -0.503 0.000 0.842 238 R CB 1.240 31.383 30.300 -0.263 0.000 1.163 238 R HN 0.788 nan 8.270 nan 0.000 0.450 239 E N 2.764 122.792 120.200 -0.286 0.000 2.401 239 E HA 0.202 4.550 4.350 -0.002 0.000 0.280 239 E C -1.680 174.812 176.600 -0.180 0.000 1.039 239 E CA -0.768 55.489 56.400 -0.237 0.000 0.814 239 E CB 1.253 30.765 29.700 -0.312 0.000 1.275 239 E HN 0.384 nan 8.360 nan 0.000 0.448 240 K N 2.172 122.488 120.400 -0.139 0.000 2.378 240 K HA 0.411 4.730 4.320 -0.002 0.000 0.288 240 K C -0.489 176.036 176.600 -0.125 0.000 1.057 240 K CA 0.160 56.383 56.287 -0.106 0.000 0.971 240 K CB 0.136 32.590 32.500 -0.077 0.000 0.975 240 K HN 0.332 nan 8.250 nan 0.000 0.475 241 L N 2.296 123.447 121.223 -0.119 0.000 2.465 241 L HA 0.305 4.643 4.340 -0.002 0.000 0.257 241 L C -0.566 176.249 176.870 -0.091 0.000 0.988 241 L CA -1.319 53.437 54.840 -0.141 0.000 0.827 241 L CB 1.983 43.915 42.059 -0.211 0.000 1.397 241 L HN 0.516 nan 8.230 nan 0.000 0.410 242 N N 2.506 121.157 118.700 -0.080 0.000 2.470 242 N HA 0.502 5.240 4.740 -0.002 0.000 0.268 242 N C -0.976 174.526 175.510 -0.013 0.000 1.136 242 N CA 0.152 53.194 53.050 -0.013 0.000 0.961 242 N CB 1.650 40.152 38.487 0.024 0.000 1.067 242 N HN 0.477 nan 8.380 nan 0.000 0.468 243 I N 0.144 120.742 120.570 0.047 0.000 2.722 243 I HA 0.697 4.866 4.170 -0.002 0.000 0.295 243 I C -0.238 175.968 176.117 0.149 0.000 1.161 243 I CA -0.453 60.881 61.300 0.058 0.000 1.032 243 I CB 1.853 39.870 38.000 0.029 0.000 1.244 243 I HN 0.542 nan 8.210 nan 0.000 0.421 244 G N 4.279 113.161 108.800 0.137 0.000 2.682 244 G HA2 0.499 4.458 3.960 -0.002 0.000 0.303 244 G HA3 0.499 4.458 3.960 -0.002 0.000 0.303 244 G C -2.497 172.364 174.900 -0.064 0.000 1.341 244 G CA -0.468 44.706 45.100 0.123 0.000 0.784 244 G HN 0.558 nan 8.290 nan 0.000 0.497 245 Y N -0.116 119.871 120.300 -0.522 0.000 2.401 245 Y HA 0.598 5.146 4.550 -0.004 0.000 0.330 245 Y C -0.874 174.585 175.900 -0.735 0.000 1.071 245 Y CA -0.955 56.877 58.100 -0.447 0.000 1.049 245 Y CB 1.562 39.924 38.460 -0.162 0.000 1.239 245 Y HN 0.461 nan 8.280 nan 0.000 0.437 246 I N 6.067 125.975 120.570 -1.104 0.000 2.287 246 I HA 0.192 4.361 4.170 -0.002 0.000 0.290 246 I C 0.790 176.563 176.117 -0.573 0.000 1.069 246 I CA -0.210 60.581 61.300 -0.848 0.000 1.237 246 I CB 1.437 38.983 38.000 -0.756 0.000 1.418 246 I HN 0.700 nan 8.210 nan 0.000 0.481 247 E N 3.496 123.598 120.200 -0.162 0.000 2.077 247 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 247 E C 1.365 177.954 176.600 -0.017 0.000 0.989 247 E CA 1.674 58.091 56.400 0.028 0.000 0.800 247 E CB 0.136 29.945 29.700 0.181 0.000 0.746 247 E HN 0.525 nan 8.360 nan 0.000 0.452 248 D N -0.594 119.801 120.400 -0.009 0.000 2.221 248 D HA -0.123 4.515 4.640 -0.002 0.000 0.204 248 D C 1.261 177.545 176.300 -0.027 0.000 0.982 248 D CA 0.881 54.886 54.000 0.008 0.000 0.857 248 D CB 0.111 40.932 40.800 0.035 0.000 0.934 248 D HN 0.294 nan 8.370 nan 0.000 0.475 249 L N -0.236 120.926 121.223 -0.101 0.000 2.766 249 L HA 0.141 4.479 4.340 -0.002 0.000 0.242 249 L C 0.147 176.932 176.870 -0.142 0.000 1.136 249 L CA -0.235 54.543 54.840 -0.103 0.000 0.933 249 L CB 0.337 42.323 42.059 -0.122 0.000 1.241 249 L HN -0.233 nan 8.230 nan 0.000 0.522 250 K N 0.863 121.144 120.400 -0.198 0.000 3.156 250 K HA -0.183 4.135 4.320 -0.002 0.000 0.266 250 K C -0.153 176.301 176.600 -0.245 0.000 0.966 250 K CA 0.834 57.033 56.287 -0.148 0.000 0.719 250 K CB -1.585 30.936 32.500 0.034 0.000 1.333 250 K HN 0.392 nan 8.250 nan 0.000 0.468 251 A N 0.763 123.206 122.820 -0.628 0.000 2.486 251 A HA 0.500 4.819 4.320 -0.002 0.000 0.300 251 A C -0.246 177.047 177.584 -0.485 0.000 1.048 251 A CA -0.801 51.020 52.037 -0.359 0.000 0.696 251 A CB 1.146 20.035 19.000 -0.184 0.000 1.278 251 A HN 0.237 nan 8.150 nan 0.000 0.405 252 Q N 0.485 120.265 119.800 -0.033 0.000 2.373 252 Q HA 0.478 4.817 4.340 -0.002 0.000 0.255 252 Q C -0.718 175.365 176.000 0.139 0.000 0.980 252 Q CA 0.322 56.213 55.803 0.146 0.000 0.882 252 Q CB 1.653 30.582 28.738 0.319 0.000 1.249 252 Q HN 0.668 nan 8.270 nan 0.000 0.438 253 I N 2.587 123.204 120.570 0.078 0.000 2.498 253 I HA 0.411 4.580 4.170 -0.002 0.000 0.290 253 I C -1.876 174.255 176.117 0.022 0.000 1.032 253 I CA -1.075 60.270 61.300 0.075 0.000 1.073 253 I CB 1.371 39.361 38.000 -0.017 0.000 1.251 253 I HN 0.485 nan 8.210 nan 0.000 0.426 254 L N 7.386 128.509 121.223 -0.167 0.000 2.386 254 L HA 0.538 4.877 4.340 -0.002 0.000 0.271 254 L C -0.916 175.780 176.870 -0.290 0.000 0.993 254 L CA -0.090 54.500 54.840 -0.417 0.000 0.819 254 L CB 1.876 43.204 42.059 -1.219 0.000 1.294 254 L HN 0.658 nan 8.230 nan 0.000 0.414 255 E N 4.644 124.654 120.200 -0.317 0.000 2.151 255 E HA 0.452 4.801 4.350 -0.002 0.000 0.275 255 E C -1.665 174.663 176.600 -0.454 0.000 0.936 255 E CA -0.570 55.499 56.400 -0.552 0.000 0.777 255 E CB 1.095 30.453 29.700 -0.569 0.000 1.108 255 E HN 0.692 nan 8.360 nan 0.000 0.401 256 L N 7.579 128.536 121.223 -0.443 0.000 2.295 256 L HA 0.426 4.765 4.340 -0.002 0.000 0.281 256 L C -2.161 174.569 176.870 -0.234 0.000 1.018 256 L CA -2.100 52.516 54.840 -0.374 0.000 0.841 256 L CB 1.411 43.163 42.059 -0.511 0.000 1.218 256 L HN 0.414 nan 8.230 nan 0.000 0.424 257 P HA 0.131 nan 4.420 nan 0.000 0.279 257 P C -0.996 176.307 177.300 0.004 0.000 1.239 257 P CA -0.147 62.905 63.100 -0.080 0.000 0.789 257 P CB 0.732 32.404 31.700 -0.048 0.000 0.933 258 Y N 0.805 121.218 120.300 0.189 0.000 2.289 258 Y HA 0.365 4.914 4.550 -0.001 0.000 0.332 258 Y C 1.511 177.497 175.900 0.143 0.000 1.324 258 Y CA -0.680 57.508 58.100 0.147 0.000 1.478 258 Y CB 0.260 38.774 38.460 0.091 0.000 1.378 258 Y HN 0.397 nan 8.280 nan 0.000 0.558 259 A N 1.027 124.035 122.820 0.313 0.000 2.511 259 A HA 0.460 4.779 4.320 -0.002 0.000 0.242 259 A C 0.777 178.549 177.584 0.314 0.000 1.069 259 A CA 0.494 52.667 52.037 0.227 0.000 0.763 259 A CB -1.120 17.976 19.000 0.160 0.000 1.001 259 A HN 1.330 nan 8.150 nan 0.000 0.498 260 G N 1.569 110.504 108.800 0.224 0.000 2.725 260 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.220 260 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.220 260 G C -0.377 174.692 174.900 0.281 0.000 1.357 260 G CA -0.001 45.260 45.100 0.268 0.000 0.866 260 G HN 0.788 nan 8.290 nan 0.000 0.548 261 D N 0.426 120.994 120.400 0.279 0.000 3.060 261 D HA 0.405 5.044 4.640 -0.002 0.000 0.245 261 D C 0.268 176.591 176.300 0.038 0.000 1.274 261 D CA 0.361 54.430 54.000 0.115 0.000 0.864 261 D CB 0.564 41.376 40.800 0.020 0.000 1.073 261 D HN 0.424 nan 8.370 nan 0.000 0.473 262 V N 0.010 119.984 119.914 0.100 0.000 2.735 262 V HA 0.516 4.634 4.120 -0.002 0.000 0.310 262 V C 0.089 176.323 176.094 0.232 0.000 1.061 262 V CA -0.568 61.745 62.300 0.021 0.000 0.913 262 V CB 2.425 34.059 31.823 -0.315 0.000 1.005 262 V HN 0.005 nan 8.190 nan 0.000 0.428 263 S N 3.417 119.238 115.700 0.202 0.000 2.627 263 S HA 0.669 5.137 4.470 -0.002 0.000 0.283 263 S C -0.748 173.963 174.600 0.185 0.000 1.127 263 S CA -0.635 57.627 58.200 0.102 0.000 0.863 263 S CB 2.041 65.112 63.200 -0.214 0.000 1.121 263 S HN 0.775 nan 8.310 nan 0.000 0.479 264 M N 2.451 122.101 119.600 0.084 0.000 2.209 264 M HA 0.551 5.030 4.480 -0.002 0.000 0.355 264 M C -1.983 174.274 176.300 -0.073 0.000 1.171 264 M CA -0.385 55.041 55.300 0.209 0.000 1.069 264 M CB 0.254 33.078 32.600 0.373 0.000 1.622 264 M HN 0.564 nan 8.290 nan 0.000 0.459 265 F N 5.040 125.087 119.950 0.161 0.000 2.443 265 F HA 0.553 5.076 4.527 -0.006 0.000 0.335 265 F C -0.914 174.959 175.800 0.122 0.000 1.104 265 F CA -0.594 57.458 58.000 0.087 0.000 1.013 265 F CB 1.323 40.374 39.000 0.085 0.000 1.136 265 F HN 0.360 nan 8.300 nan 0.000 0.470 266 L N 4.248 125.587 121.223 0.194 0.000 2.346 266 L HA 0.595 4.934 4.340 -0.002 0.000 0.276 266 L C -0.909 176.126 176.870 0.275 0.000 1.006 266 L CA -0.363 54.617 54.840 0.233 0.000 0.817 266 L CB 1.777 43.875 42.059 0.066 0.000 1.272 266 L HN 0.445 nan 8.230 nan 0.000 0.421 267 L N 4.308 125.713 121.223 0.303 0.000 2.343 267 L HA 0.595 4.933 4.340 -0.002 0.000 0.278 267 L C -1.142 175.865 176.870 0.228 0.000 0.996 267 L CA -0.475 54.495 54.840 0.216 0.000 0.831 267 L CB 1.883 44.012 42.059 0.115 0.000 1.232 267 L HN 0.378 nan 8.230 nan 0.000 0.413 268 L N 6.555 127.868 121.223 0.151 0.000 2.377 268 L HA 0.633 4.972 4.340 -0.002 0.000 0.270 268 L C -2.469 174.416 176.870 0.025 0.000 0.991 268 L CA -1.675 53.163 54.840 -0.003 0.000 0.851 268 L CB 1.579 43.413 42.059 -0.376 0.000 1.218 268 L HN 0.209 nan 8.230 nan 0.000 0.420 269 P HA 0.145 nan 4.420 nan 0.000 0.267 269 P C -1.340 176.080 177.300 0.200 0.000 1.200 269 P CA 0.136 63.314 63.100 0.130 0.000 0.772 269 P CB 0.481 32.270 31.700 0.149 0.000 0.855 274 D N -1.461 118.940 120.400 0.002 0.000 2.581 274 D HA 0.458 5.096 4.640 -0.002 0.000 0.232 274 D C 0.559 176.857 176.300 -0.005 0.000 1.143 274 D CA -0.012 53.989 54.000 0.002 0.000 0.881 274 D CB 1.456 42.262 40.800 0.010 0.000 1.500 274 D HN 0.565 nan 8.370 nan 0.000 0.458 275 V N -0.887 119.024 119.914 -0.005 0.000 3.646 275 V HA 0.184 4.303 4.120 -0.002 0.000 0.277 275 V C 0.792 176.883 176.094 -0.005 0.000 1.274 275 V CA 1.026 63.320 62.300 -0.009 0.000 1.164 275 V CB -0.607 31.211 31.823 -0.009 0.000 0.926 275 V HN 0.528 nan 8.190 nan 0.000 0.442 276 S N 1.833 117.534 115.700 0.002 0.000 4.213 276 S HA 0.146 4.615 4.470 -0.002 0.000 0.198 276 S C 1.794 176.403 174.600 0.015 0.000 0.970 276 S CA 0.807 59.011 58.200 0.007 0.000 1.707 276 S CB 0.704 63.909 63.200 0.008 0.000 0.685 276 S HN 0.724 nan 8.310 nan 0.000 0.736 277 T N -1.673 112.897 114.554 0.027 0.000 3.055 277 T HA 0.313 4.661 4.350 -0.002 0.000 0.265 277 T C 1.496 176.234 174.700 0.064 0.000 1.111 277 T CA 1.197 63.324 62.100 0.045 0.000 1.118 277 T CB -0.471 68.427 68.868 0.051 0.000 0.909 277 T HN 1.593 nan 8.240 nan 0.000 0.501 278 G N 1.135 109.966 108.800 0.051 0.000 2.179 278 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.260 278 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.260 278 G C 0.571 175.522 174.900 0.084 0.000 0.977 278 G CA 0.367 45.503 45.100 0.061 0.000 0.641 278 G HN 0.569 nan 8.290 nan 0.000 0.533 279 L N -0.003 121.272 121.223 0.087 0.000 2.607 279 L HA 0.283 4.622 4.340 -0.002 0.000 0.228 279 L C 2.318 179.243 176.870 0.091 0.000 1.123 279 L CA 0.343 55.245 54.840 0.104 0.000 0.890 279 L CB -0.040 42.097 42.059 0.130 0.000 1.103 279 L HN 0.299 nan 8.230 nan 0.000 0.468 280 E N 0.437 120.675 120.200 0.062 0.000 2.085 280 E HA -0.268 4.080 4.350 -0.002 0.000 0.194 280 E C 2.030 178.660 176.600 0.049 0.000 0.994 280 E CA 1.255 57.684 56.400 0.047 0.000 0.801 280 E CB -0.017 29.699 29.700 0.028 0.000 0.743 280 E HN 0.287 nan 8.360 nan 0.000 0.453 281 L N 0.967 122.218 121.223 0.046 0.000 1.994 281 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 281 L C 2.253 179.153 176.870 0.050 0.000 1.071 281 L CA 1.293 56.157 54.840 0.040 0.000 0.745 281 L CB -0.527 41.551 42.059 0.032 0.000 0.892 281 L HN 0.134 nan 8.230 nan 0.000 0.431 282 L N -0.123 121.137 121.223 0.061 0.000 1.989 282 L HA -0.236 4.103 4.340 -0.002 0.000 0.211 282 L C 2.391 179.331 176.870 0.116 0.000 1.071 282 L CA 1.984 56.867 54.840 0.071 0.000 0.749 282 L CB -0.919 41.189 42.059 0.082 0.000 0.890 282 L HN 0.437 nan 8.230 nan 0.000 0.431 283 E N -0.758 119.536 120.200 0.157 0.000 2.106 283 E HA -0.180 4.169 4.350 -0.002 0.000 0.192 283 E C 2.159 178.846 176.600 0.146 0.000 0.984 283 E CA 1.404 57.943 56.400 0.232 0.000 0.806 283 E CB -0.171 29.677 29.700 0.247 0.000 0.750 283 E HN 0.748 nan 8.360 nan 0.000 0.458 284 S N 0.617 116.366 115.700 0.082 0.000 2.428 284 S HA -0.057 4.412 4.470 -0.002 0.000 0.230 284 S C 1.669 176.297 174.600 0.047 0.000 1.014 284 S CA 0.656 58.883 58.200 0.045 0.000 0.957 284 S CB 0.107 63.320 63.200 0.021 0.000 0.784 284 S HN 0.127 nan 8.310 nan 0.000 0.499 285 E N 0.437 120.669 120.200 0.054 0.000 2.447 285 E HA 0.338 4.686 4.350 -0.002 0.000 0.204 285 E C 0.539 177.170 176.600 0.051 0.000 0.977 285 E CA -0.319 56.107 56.400 0.044 0.000 0.950 285 E CB 0.219 29.939 29.700 0.033 0.000 0.975 285 E HN 0.565 nan 8.360 nan 0.000 0.496 286 I N 2.974 123.585 120.570 0.068 0.000 2.775 286 I HA -0.071 4.098 4.170 -0.002 0.000 0.290 286 I C 0.142 176.299 176.117 0.067 0.000 1.203 286 I CA 0.796 62.137 61.300 0.068 0.000 1.433 286 I CB 0.449 38.505 38.000 0.093 0.000 1.354 286 I HN -0.003 nan 8.210 nan 0.000 0.579 287 T N 3.051 117.642 114.554 0.062 0.000 2.841 287 T HA 0.188 4.537 4.350 -0.002 0.000 0.296 287 T C 0.440 175.193 174.700 0.088 0.000 1.166 287 T CA -0.614 61.535 62.100 0.081 0.000 1.007 287 T CB 0.878 69.797 68.868 0.086 0.000 1.253 287 T HN 0.607 nan 8.240 nan 0.000 0.511 288 Y N 1.228 121.535 120.300 0.012 0.000 2.114 288 Y HA -0.172 4.378 4.550 -0.001 0.000 0.282 288 Y C 1.883 177.796 175.900 0.022 0.000 1.165 288 Y CA 2.393 60.499 58.100 0.010 0.000 1.148 288 Y CB -0.519 37.944 38.460 0.004 0.000 0.972 288 Y HN 0.729 nan 8.280 nan 0.000 0.504 289 D N 0.045 120.469 120.400 0.040 0.000 2.097 289 D HA -0.163 4.476 4.640 -0.002 0.000 0.195 289 D C 2.050 178.303 176.300 -0.079 0.000 0.989 289 D CA 1.722 55.702 54.000 -0.033 0.000 0.827 289 D CB -0.188 40.663 40.800 0.086 0.000 0.966 289 D HN 0.427 nan 8.370 nan 0.000 0.456 290 K N -0.181 120.217 120.400 -0.004 0.000 2.097 290 K HA -0.076 4.243 4.320 -0.002 0.000 0.205 290 K C 2.022 178.676 176.600 0.090 0.000 1.050 290 K CA 0.373 56.699 56.287 0.064 0.000 0.938 290 K CB -0.055 32.484 32.500 0.065 0.000 0.718 290 K HN 0.043 nan 8.250 nan 0.000 0.442 291 L N 1.437 122.650 121.223 -0.017 0.000 2.068 291 L HA -0.072 4.267 4.340 -0.002 0.000 0.204 291 L C 1.828 178.633 176.870 -0.109 0.000 1.076 291 L CA 1.685 56.508 54.840 -0.029 0.000 0.753 291 L CB -0.511 41.514 42.059 -0.057 0.000 0.910 291 L HN 0.069 nan 8.230 nan 0.000 0.439 292 N N -0.100 118.405 118.700 -0.326 0.000 2.244 292 N HA -0.259 4.479 4.740 -0.002 0.000 0.183 292 N C 1.916 177.278 175.510 -0.247 0.000 1.016 292 N CA 1.377 54.188 53.050 -0.399 0.000 0.866 292 N CB -0.190 37.798 38.487 -0.831 0.000 0.980 292 N HN 0.382 nan 8.380 nan 0.000 0.430 293 K N -0.934 119.343 120.400 -0.205 0.000 2.113 293 K HA -0.182 4.137 4.320 -0.002 0.000 0.208 293 K C 1.183 177.559 176.600 -0.373 0.000 1.047 293 K CA 1.630 57.756 56.287 -0.268 0.000 0.928 293 K CB -0.250 32.100 32.500 -0.250 0.000 0.716 293 K HN 0.330 nan 8.250 nan 0.000 0.446 294 W N 0.064 121.290 121.300 -0.123 0.000 2.704 294 W HA 0.030 4.690 4.660 0.001 0.000 0.266 294 W C 2.359 178.799 176.519 -0.131 0.000 1.266 294 W CA 0.966 58.260 57.345 -0.086 0.000 1.377 294 W CB -0.004 29.419 29.460 -0.061 0.000 1.082 294 W HN 0.214 nan 8.180 nan 0.000 0.608 295 T N -3.511 110.975 114.554 -0.114 0.000 3.014 295 T HA 0.179 4.527 4.350 -0.002 0.000 0.263 295 T C 0.891 175.487 174.700 -0.173 0.000 1.078 295 T CA 0.643 62.462 62.100 -0.469 0.000 1.135 295 T CB -0.080 68.285 68.868 -0.838 0.000 0.895 295 T HN -0.157 nan 8.240 nan 0.000 0.480 300 M N 1.481 121.120 119.600 0.065 0.000 2.235 300 M HA 0.419 4.898 4.480 -0.002 0.000 0.351 300 M C 0.002 176.373 176.300 0.117 0.000 1.178 300 M CA -0.296 55.141 55.300 0.227 0.000 1.143 300 M CB 1.451 34.221 32.600 0.283 0.000 1.530 300 M HN 0.107 nan 8.290 nan 0.000 0.461 301 A N 2.442 125.337 122.820 0.125 0.000 2.337 301 A HA 0.445 4.764 4.320 -0.002 0.000 0.329 301 A C -0.633 176.984 177.584 0.056 0.000 1.146 301 A CA -0.709 51.372 52.037 0.073 0.000 0.800 301 A CB 0.947 19.990 19.000 0.071 0.000 1.220 301 A HN 0.829 nan 8.150 nan 0.000 0.472 302 E N 0.967 121.183 120.200 0.027 0.000 2.338 302 E HA 0.325 4.673 4.350 -0.002 0.000 0.272 302 E C -1.090 175.512 176.600 0.003 0.000 1.029 302 E CA -0.102 56.301 56.400 0.004 0.000 0.872 302 E CB 0.632 30.326 29.700 -0.010 0.000 1.015 302 E HN 0.622 nan 8.360 nan 0.000 0.417 303 D N 2.235 122.629 120.400 -0.010 0.000 2.626 303 D HA 0.113 4.752 4.640 -0.002 0.000 0.278 303 D C -1.543 174.739 176.300 -0.031 0.000 1.211 303 D CA -0.566 53.429 54.000 -0.008 0.000 0.903 303 D CB 1.576 42.383 40.800 0.013 0.000 1.408 303 D HN 0.464 nan 8.370 nan 0.000 0.454 304 E N 1.072 121.257 120.200 -0.025 0.000 2.052 304 E HA 0.456 4.805 4.350 -0.002 0.000 0.283 304 E C -1.004 175.575 176.600 -0.036 0.000 1.071 304 E CA -0.456 55.918 56.400 -0.043 0.000 0.851 304 E CB 0.607 30.289 29.700 -0.030 0.000 1.066 304 E HN 0.116 nan 8.360 nan 0.000 0.396 305 V N 4.469 124.337 119.914 -0.076 0.000 2.581 305 V HA 0.252 4.371 4.120 -0.002 0.000 0.303 305 V C -0.210 175.817 176.094 -0.112 0.000 1.041 305 V CA -0.867 61.399 62.300 -0.057 0.000 0.907 305 V CB 1.798 33.575 31.823 -0.077 0.000 0.994 305 V HN 0.672 nan 8.190 nan 0.000 0.442 306 E N 2.678 122.863 120.200 -0.026 0.000 2.146 306 E HA 0.503 4.852 4.350 -0.002 0.000 0.282 306 E C -1.242 175.315 176.600 -0.071 0.000 0.989 306 E CA -0.425 55.920 56.400 -0.092 0.000 0.799 306 E CB 1.978 31.827 29.700 0.250 0.000 1.088 306 E HN 0.424 nan 8.360 nan 0.000 0.397 307 V N 4.190 123.901 119.914 -0.338 0.000 2.417 307 V HA 0.283 4.402 4.120 -0.002 0.000 0.291 307 V C -1.075 174.883 176.094 -0.228 0.000 1.024 307 V CA -0.804 61.416 62.300 -0.134 0.000 0.861 307 V CB 0.505 32.222 31.823 -0.177 0.000 0.985 307 V HN 0.578 nan 8.190 nan 0.000 0.436 308 Y N 5.517 125.874 120.300 0.094 0.000 2.326 308 Y HA 0.733 5.282 4.550 -0.002 0.000 0.331 308 Y C 0.118 175.975 175.900 -0.072 0.000 0.962 308 Y CA -0.744 57.360 58.100 0.006 0.000 1.167 308 Y CB 1.665 40.081 38.460 -0.073 0.000 1.148 308 Y HN 0.654 nan 8.280 nan 0.000 0.463 309 I N 1.395 121.925 120.570 -0.067 0.000 2.785 309 I HA 0.811 4.979 4.170 -0.002 0.000 0.302 309 I C -2.987 173.033 176.117 -0.161 0.000 1.069 309 I CA -3.070 58.138 61.300 -0.154 0.000 1.045 309 I CB 2.693 40.510 38.000 -0.304 0.000 1.236 309 I HN 0.163 nan 8.210 nan 0.000 0.429 310 P HA 0.092 nan 4.420 nan 0.000 0.274 310 P C -1.357 175.907 177.300 -0.061 0.000 1.231 310 P CA -0.148 62.923 63.100 -0.048 0.000 0.790 310 P CB 0.634 32.283 31.700 -0.086 0.000 0.951 311 Q N 2.620 122.372 119.800 -0.079 0.000 2.286 311 Q HA 0.437 4.776 4.340 -0.002 0.000 0.257 311 Q C -1.228 174.759 176.000 -0.021 0.000 0.941 311 Q CA -0.259 55.477 55.803 -0.111 0.000 0.912 311 Q CB -0.083 28.602 28.738 -0.087 0.000 1.192 311 Q HN 0.461 nan 8.270 nan 0.000 0.410 312 F N 0.694 120.467 119.950 -0.293 0.000 2.686 312 F HA 0.665 5.191 4.527 -0.003 0.000 0.311 312 F C -1.795 173.888 175.800 -0.195 0.000 1.128 312 F CA -1.232 56.600 58.000 -0.280 0.000 0.946 312 F CB 1.552 40.189 39.000 -0.605 0.000 1.336 312 F HN 0.404 nan 8.300 nan 0.000 0.457 313 K N 2.904 123.336 120.400 0.054 0.000 2.482 313 K HA 0.723 5.042 4.320 -0.002 0.000 0.251 313 K C -2.249 174.422 176.600 0.119 0.000 0.936 313 K CA -0.600 55.666 56.287 -0.035 0.000 0.791 313 K CB 2.012 34.482 32.500 -0.049 0.000 1.213 313 K HN 0.895 nan 8.250 nan 0.000 0.428 314 L N 2.427 123.693 121.223 0.072 0.000 2.341 314 L HA 0.585 4.924 4.340 -0.002 0.000 0.267 314 L C -0.768 176.159 176.870 0.095 0.000 1.009 314 L CA -0.868 54.054 54.840 0.136 0.000 0.819 314 L CB 2.138 44.317 42.059 0.200 0.000 1.323 314 L HN 0.730 nan 8.230 nan 0.000 0.425 315 E N 1.839 122.134 120.200 0.157 0.000 2.278 315 E HA 0.385 4.734 4.350 -0.002 0.000 0.272 315 E C -1.688 175.044 176.600 0.221 0.000 0.890 315 E CA -0.513 55.994 56.400 0.178 0.000 0.770 315 E CB 1.945 31.742 29.700 0.161 0.000 1.212 315 E HN 0.461 nan 8.360 nan 0.000 0.415 316 E N 2.419 122.746 120.200 0.212 0.000 2.314 316 E HA 0.358 4.707 4.350 -0.002 0.000 0.272 316 E C -1.463 175.083 176.600 -0.089 0.000 0.884 316 E CA -0.815 55.648 56.400 0.104 0.000 0.753 316 E CB 1.642 31.409 29.700 0.112 0.000 1.213 316 E HN 0.502 nan 8.360 nan 0.000 0.432 317 H N 0.975 119.797 119.070 -0.413 0.000 2.529 317 H HA 0.500 5.055 4.556 -0.002 0.000 0.348 317 H C -0.948 174.068 175.328 -0.521 0.000 1.079 317 H CA -0.328 55.541 56.048 -0.299 0.000 1.198 317 H CB 0.788 30.498 29.762 -0.087 0.000 1.521 317 H HN 0.351 nan 8.280 nan 0.000 0.514 318 Y N 0.130 120.590 120.300 0.267 0.000 2.536 318 Y HA 0.409 4.958 4.550 -0.002 0.000 0.347 318 Y C -0.055 175.946 175.900 0.169 0.000 1.000 318 Y CA -0.961 57.260 58.100 0.201 0.000 1.051 318 Y CB 2.090 40.665 38.460 0.192 0.000 1.259 318 Y HN 0.505 nan 8.280 nan 0.000 0.468 319 E N 2.795 123.130 120.200 0.225 0.000 2.182 319 E HA 0.321 4.670 4.350 -0.002 0.000 0.258 319 E C -0.453 176.125 176.600 -0.037 0.000 0.879 319 E CA -0.161 56.231 56.400 -0.014 0.000 0.754 319 E CB 1.252 30.926 29.700 -0.044 0.000 1.162 319 E HN 0.647 nan 8.360 nan 0.000 0.419 320 L N 2.498 123.673 121.223 -0.080 0.000 2.607 320 L HA 0.180 4.519 4.340 -0.002 0.000 0.228 320 L C 2.293 179.054 176.870 -0.183 0.000 1.123 320 L CA 0.059 54.859 54.840 -0.066 0.000 0.890 320 L CB -0.155 41.905 42.059 0.001 0.000 1.103 320 L HN 0.453 nan 8.230 nan 0.000 0.468 321 R N 1.042 121.348 120.500 -0.325 0.000 2.096 321 R HA -0.221 4.118 4.340 -0.002 0.000 0.240 321 R C 2.482 178.420 176.300 -0.604 0.000 1.139 321 R CA 2.241 57.865 56.100 -0.793 0.000 0.952 321 R CB -0.154 29.714 30.300 -0.721 0.000 0.854 321 R HN 0.446 nan 8.270 nan 0.000 0.436 322 S N 0.518 116.025 115.700 -0.322 0.000 2.368 322 S HA -0.131 4.338 4.470 -0.002 0.000 0.225 322 S C 2.042 176.548 174.600 -0.156 0.000 1.030 322 S CA 1.181 59.258 58.200 -0.205 0.000 0.999 322 S CB -0.354 62.778 63.200 -0.113 0.000 0.844 322 S HN 0.249 nan 8.310 nan 0.000 0.459 323 I N 2.221 122.711 120.570 -0.133 0.000 2.202 323 I HA -0.028 4.141 4.170 -0.002 0.000 0.242 323 I C 2.498 178.543 176.117 -0.120 0.000 1.091 323 I CA 0.939 62.184 61.300 -0.092 0.000 1.368 323 I CB -1.527 36.422 38.000 -0.085 0.000 1.058 323 I HN 0.304 nan 8.210 nan 0.000 0.410 324 L N -0.063 121.091 121.223 -0.115 0.000 2.093 324 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 324 L C 2.777 179.638 176.870 -0.016 0.000 1.085 324 L CA 1.087 55.915 54.840 -0.019 0.000 0.755 324 L CB -0.520 41.645 42.059 0.176 0.000 0.904 324 L HN 0.147 nan 8.230 nan 0.000 0.435 325 R N -0.092 120.343 120.500 -0.109 0.000 2.083 325 R HA -0.182 4.157 4.340 -0.002 0.000 0.237 325 R C 2.655 178.934 176.300 -0.035 0.000 1.137 325 R CA 1.788 57.857 56.100 -0.050 0.000 0.951 325 R CB -0.527 29.698 30.300 -0.125 0.000 0.851 325 R HN 0.468 nan 8.270 nan 0.000 0.434 326 S N 0.484 116.154 115.700 -0.050 0.000 2.400 326 S HA -0.174 4.294 4.470 -0.002 0.000 0.232 326 S C 1.900 176.479 174.600 -0.035 0.000 1.025 326 S CA 1.291 59.494 58.200 0.005 0.000 0.993 326 S CB -0.163 63.083 63.200 0.077 0.000 0.808 326 S HN 0.257 nan 8.310 nan 0.000 0.478 327 M N 0.524 120.000 119.600 -0.206 0.000 2.558 327 M HA 0.247 4.726 4.480 -0.002 0.000 0.255 327 M C 1.639 177.866 176.300 -0.121 0.000 1.113 327 M CA 0.774 55.870 55.300 -0.339 0.000 1.097 327 M CB 0.166 32.507 32.600 -0.432 0.000 1.426 327 M HN 0.669 nan 8.290 nan 0.000 0.488 328 G N 0.704 109.475 108.800 -0.050 0.000 2.205 328 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.180 328 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.180 328 G C 0.163 175.072 174.900 0.014 0.000 1.004 328 G CA -0.423 44.670 45.100 -0.013 0.000 0.670 328 G HN 0.412 nan 8.290 nan 0.000 0.496 329 M N 1.849 121.479 119.600 0.051 0.000 3.347 329 M HA 0.440 4.918 4.480 -0.002 0.000 0.260 329 M C 1.107 177.537 176.300 0.217 0.000 1.362 329 M CA -0.079 55.288 55.300 0.112 0.000 1.497 329 M CB -0.118 32.577 32.600 0.159 0.000 1.080 329 M HN 0.326 nan 8.290 nan 0.000 0.592 330 E N 0.280 120.561 120.200 0.135 0.000 2.079 330 E HA -0.092 4.257 4.350 -0.002 0.000 0.191 330 E C 0.771 177.468 176.600 0.162 0.000 0.961 330 E CA 0.706 57.197 56.400 0.151 0.000 0.823 330 E CB 0.262 30.005 29.700 0.071 0.000 0.789 330 E HN 0.643 nan 8.360 nan 0.000 0.459 331 D N 1.224 121.672 120.400 0.081 0.000 2.219 331 D HA -0.090 4.548 4.640 -0.002 0.000 0.205 331 D C 1.834 178.173 176.300 0.065 0.000 0.970 331 D CA 1.011 55.039 54.000 0.047 0.000 0.851 331 D CB -0.211 40.581 40.800 -0.013 0.000 0.943 331 D HN 0.145 nan 8.370 nan 0.000 0.488 332 A N 0.045 122.890 122.820 0.041 0.000 1.940 332 A HA -0.153 4.166 4.320 -0.002 0.000 0.219 332 A C 1.647 179.263 177.584 0.053 0.000 1.176 332 A CA 0.974 53.029 52.037 0.030 0.000 0.631 332 A CB -0.793 18.129 19.000 -0.130 0.000 0.814 332 A HN 0.235 nan 8.150 nan 0.000 0.446 333 F N -0.457 119.608 119.950 0.191 0.000 2.693 333 F HA 0.193 4.719 4.527 -0.002 0.000 0.303 333 F C 0.783 176.680 175.800 0.163 0.000 1.097 333 F CA -0.295 57.827 58.000 0.204 0.000 1.330 333 F CB 0.205 39.271 39.000 0.110 0.000 1.067 333 F HN 0.116 nan 8.300 nan 0.000 0.565 334 N N 1.690 120.529 118.700 0.232 0.000 2.439 334 N HA 0.037 4.776 4.740 -0.002 0.000 0.249 334 N C 1.075 176.526 175.510 -0.099 0.000 1.003 334 N CA 0.053 53.136 53.050 0.055 0.000 0.942 334 N CB 0.994 39.508 38.487 0.045 0.000 1.115 334 N HN 0.168 nan 8.380 nan 0.000 0.505 335 K N 2.619 122.781 120.400 -0.397 0.000 2.113 335 K HA -0.115 4.204 4.320 -0.002 0.000 0.208 335 K C 1.371 177.756 176.600 -0.358 0.000 1.047 335 K CA 1.854 57.631 56.287 -0.850 0.000 0.928 335 K CB -0.155 31.723 32.500 -1.037 0.000 0.716 335 K HN 0.617 nan 8.250 nan 0.000 0.446 336 G N -0.039 108.644 108.800 -0.195 0.000 2.539 336 G HA2 -0.089 3.870 3.960 -0.002 0.000 0.215 336 G HA3 -0.089 3.870 3.960 -0.002 0.000 0.215 336 G C 1.330 176.197 174.900 -0.053 0.000 1.141 336 G CA -0.040 44.998 45.100 -0.103 0.000 0.806 336 G HN 0.221 nan 8.290 nan 0.000 0.533 337 R N 0.034 120.510 120.500 -0.040 0.000 2.282 337 R HA 0.365 4.704 4.340 -0.002 0.000 0.195 337 R C 1.170 177.461 176.300 -0.014 0.000 0.909 337 R CA 0.229 56.316 56.100 -0.022 0.000 1.039 337 R CB 0.334 30.624 30.300 -0.016 0.000 1.015 337 R HN 0.256 nan 8.270 nan 0.000 0.513 338 A N 2.268 125.105 122.820 0.028 0.000 2.531 338 A HA 0.024 4.342 4.320 -0.002 0.000 0.236 338 A C -0.089 177.480 177.584 -0.024 0.000 1.062 338 A CA 0.158 52.223 52.037 0.046 0.000 0.760 338 A CB 0.084 19.262 19.000 0.297 0.000 0.995 338 A HN 0.161 nan 8.150 nan 0.000 0.501 339 N N 1.627 120.185 118.700 -0.237 0.000 2.623 339 N HA 0.389 5.128 4.740 -0.002 0.000 0.256 339 N C -1.613 173.579 175.510 -0.530 0.000 1.045 339 N CA -0.339 52.566 53.050 -0.243 0.000 0.863 339 N CB 0.350 38.721 38.487 -0.193 0.000 1.182 339 N HN 0.424 nan 8.380 nan 0.000 0.523 340 F N 1.295 121.217 119.950 -0.046 0.000 2.963 340 F HA 0.265 4.790 4.527 -0.002 0.000 0.321 340 F C 1.713 177.461 175.800 -0.087 0.000 1.234 340 F CA -0.313 57.633 58.000 -0.090 0.000 1.296 340 F CB 0.545 39.474 39.000 -0.118 0.000 0.981 340 F HN 0.335 nan 8.300 nan 0.000 0.507 341 S N 0.183 115.888 115.700 0.008 0.000 2.442 341 S HA -0.152 4.317 4.470 -0.002 0.000 0.236 341 S C 2.446 177.048 174.600 0.003 0.000 1.007 341 S CA 1.259 59.463 58.200 0.007 0.000 0.965 341 S CB -0.291 62.899 63.200 -0.017 0.000 0.773 341 S HN 0.693 nan 8.310 nan 0.000 0.504 342 G N 1.170 109.961 108.800 -0.016 0.000 2.422 342 G HA2 -0.134 3.824 3.960 -0.002 0.000 0.218 342 G HA3 -0.134 3.824 3.960 -0.002 0.000 0.218 342 G C 1.314 176.179 174.900 -0.058 0.000 1.140 342 G CA 0.490 45.589 45.100 -0.003 0.000 0.775 342 G HN 0.445 nan 8.290 nan 0.000 0.545 343 M N -0.284 119.197 119.600 -0.198 0.000 2.236 343 M HA 0.141 4.619 4.480 -0.002 0.000 0.266 343 M C 0.907 177.220 176.300 0.022 0.000 1.070 343 M CA 0.625 55.693 55.300 -0.386 0.000 1.137 343 M CB 0.422 32.734 32.600 -0.480 0.000 1.378 343 M HN 0.204 nan 8.290 nan 0.000 0.426 344 S N -0.001 115.734 115.700 0.058 0.000 2.603 344 S HA 0.158 4.627 4.470 -0.002 0.000 0.274 344 S C 0.287 174.913 174.600 0.044 0.000 1.168 344 S CA -0.793 57.457 58.200 0.084 0.000 0.963 344 S CB 1.087 64.342 63.200 0.093 0.000 1.078 344 S HN 0.473 nan 8.310 nan 0.000 0.477 345 E N 3.835 124.054 120.200 0.031 0.000 2.338 345 E HA -0.073 4.276 4.350 -0.002 0.000 0.197 345 E C 1.417 178.024 176.600 0.012 0.000 1.007 345 E CA 0.446 56.858 56.400 0.019 0.000 0.849 345 E CB -0.123 29.587 29.700 0.015 0.000 0.774 345 E HN 0.625 nan 8.360 nan 0.000 0.506 346 R N 0.800 121.304 120.500 0.008 0.000 2.241 346 R HA -0.075 4.264 4.340 -0.002 0.000 0.224 346 R C 0.399 176.711 176.300 0.020 0.000 1.101 346 R CA 0.718 56.821 56.100 0.006 0.000 0.995 346 R CB -0.553 29.743 30.300 -0.006 0.000 0.870 346 R HN 0.174 nan 8.270 nan 0.000 0.463 347 N N 1.646 120.366 118.700 0.033 0.000 2.714 347 N HA -0.148 4.591 4.740 -0.002 0.000 0.253 347 N C -1.231 174.318 175.510 0.066 0.000 1.024 347 N CA 1.148 54.227 53.050 0.048 0.000 0.726 347 N CB -0.928 37.573 38.487 0.024 0.000 0.908 347 N HN 0.447 nan 8.380 nan 0.000 0.542 348 D N -0.802 119.645 120.400 0.078 0.000 2.623 348 D HA 0.244 4.882 4.640 -0.002 0.000 0.252 348 D C 0.197 176.573 176.300 0.127 0.000 1.294 348 D CA -0.069 53.983 54.000 0.087 0.000 0.824 348 D CB -0.379 40.450 40.800 0.048 0.000 1.070 348 D HN 0.376 nan 8.370 nan 0.000 0.487 349 L N 0.456 121.780 121.223 0.168 0.000 2.388 349 L HA 0.693 5.032 4.340 -0.002 0.000 0.264 349 L C -0.875 176.185 176.870 0.316 0.000 0.998 349 L CA -1.374 53.554 54.840 0.148 0.000 0.817 349 L CB 1.969 44.041 42.059 0.022 0.000 1.338 349 L HN 0.040 nan 8.230 nan 0.000 0.414 350 F N 0.501 120.456 119.950 0.009 0.000 2.664 350 F HA 0.704 5.230 4.527 -0.002 0.000 0.317 350 F C -1.392 174.311 175.800 -0.162 0.000 1.108 350 F CA -1.366 56.657 58.000 0.038 0.000 0.957 350 F CB 1.384 40.434 39.000 0.082 0.000 1.365 350 F HN 0.198 nan 8.300 nan 0.000 0.475 351 L N 2.154 123.281 121.223 -0.161 0.000 2.260 351 L HA 0.457 4.796 4.340 -0.002 0.000 0.289 351 L C 0.502 177.320 176.870 -0.086 0.000 1.057 351 L CA 0.563 55.179 54.840 -0.372 0.000 0.811 351 L CB 1.046 42.765 42.059 -0.566 0.000 1.184 351 L HN 0.847 nan 8.230 nan 0.000 0.429 352 S N 2.507 118.082 115.700 -0.208 0.000 2.388 352 S HA 0.124 4.593 4.470 -0.002 0.000 0.223 352 S C 0.204 174.915 174.600 0.185 0.000 1.034 352 S CA 0.587 58.799 58.200 0.020 0.000 0.963 352 S CB 0.032 63.143 63.200 -0.148 0.000 0.827 352 S HN 0.742 nan 8.310 nan 0.000 0.481 353 E N -0.913 119.356 120.200 0.115 0.000 2.409 353 E HA 0.457 4.806 4.350 -0.002 0.000 0.280 353 E C -2.133 174.408 176.600 -0.099 0.000 1.079 353 E CA -0.463 55.927 56.400 -0.018 0.000 0.840 353 E CB 1.158 30.709 29.700 -0.248 0.000 1.309 353 E HN -0.137 nan 8.360 nan 0.000 0.447 354 V N 3.196 122.965 119.914 -0.242 0.000 2.443 354 V HA 0.570 4.689 4.120 -0.002 0.000 0.293 354 V C -0.951 174.953 176.094 -0.315 0.000 1.021 354 V CA -0.525 61.694 62.300 -0.135 0.000 0.848 354 V CB 0.873 32.735 31.823 0.065 0.000 0.998 354 V HN 0.553 nan 8.190 nan 0.000 0.424 355 F N 3.534 123.574 119.950 0.150 0.000 2.458 355 F HA 0.636 5.162 4.527 -0.002 0.000 0.336 355 F C 0.034 175.985 175.800 0.251 0.000 1.114 355 F CA -0.429 57.678 58.000 0.178 0.000 0.987 355 F CB 1.493 40.571 39.000 0.130 0.000 1.130 355 F HN 0.557 nan 8.300 nan 0.000 0.458 356 H N 2.651 121.904 119.070 0.306 0.000 2.667 356 H HA 0.433 4.988 4.556 -0.002 0.000 0.353 356 H C -1.388 174.090 175.328 0.251 0.000 1.072 356 H CA -0.619 55.590 56.048 0.269 0.000 1.214 356 H CB 1.652 31.573 29.762 0.265 0.000 1.600 356 H HN 0.676 nan 8.280 nan 0.000 0.527 357 Q N 3.902 123.555 119.800 -0.245 0.000 2.331 357 Q HA 0.762 5.101 4.340 -0.002 0.000 0.272 357 Q C -1.957 173.865 176.000 -0.296 0.000 1.062 357 Q CA -1.060 54.562 55.803 -0.302 0.000 0.806 357 Q CB 1.928 30.466 28.738 -0.333 0.000 1.312 357 Q HN 0.793 nan 8.270 nan 0.000 0.431 358 A N 3.280 126.039 122.820 -0.101 0.000 2.486 358 A HA 0.815 5.134 4.320 -0.002 0.000 0.300 358 A C -1.276 176.546 177.584 0.397 0.000 1.048 358 A CA -0.741 51.416 52.037 0.200 0.000 0.696 358 A CB 1.500 20.635 19.000 0.225 0.000 1.278 358 A HN 0.778 nan 8.150 nan 0.000 0.405 359 M N 1.003 120.855 119.600 0.420 0.000 2.550 359 M HA 0.885 5.364 4.480 -0.002 0.000 0.292 359 M C -1.376 174.915 176.300 -0.014 0.000 1.221 359 M CA -0.966 54.454 55.300 0.199 0.000 0.873 359 M CB 1.601 34.257 32.600 0.094 0.000 1.727 359 M HN 1.180 nan 8.290 nan 0.000 0.459 360 V N 0.901 120.612 119.914 -0.338 0.000 3.012 360 V HA 0.744 4.863 4.120 -0.002 0.000 0.307 360 V C -2.211 173.662 176.094 -0.368 0.000 1.166 360 V CA -0.169 61.843 62.300 -0.481 0.000 0.974 360 V CB 2.325 33.602 31.823 -0.910 0.000 1.040 360 V HN 1.028 nan 8.190 nan 0.000 0.428 361 D N 4.198 124.384 120.400 -0.357 0.000 2.575 361 D HA 0.464 5.102 4.640 -0.002 0.000 0.250 361 D C -1.415 174.646 176.300 -0.399 0.000 1.279 361 D CA -0.063 53.735 54.000 -0.336 0.000 0.925 361 D CB 1.958 42.635 40.800 -0.206 0.000 1.261 361 D HN 0.348 nan 8.370 nan 0.000 0.567 362 V N 5.269 124.838 119.914 -0.574 0.000 2.417 362 V HA 0.541 4.660 4.120 -0.002 0.000 0.291 362 V C 0.399 176.313 176.094 -0.301 0.000 1.024 362 V CA -0.627 61.381 62.300 -0.486 0.000 0.861 362 V CB 1.305 32.582 31.823 -0.910 0.000 0.985 362 V HN 0.722 nan 8.190 nan 0.000 0.436 363 N N 3.659 122.310 118.700 -0.082 0.000 3.479 363 N HA 0.341 5.079 4.740 -0.002 0.000 0.336 363 N C 0.209 175.829 175.510 0.184 0.000 1.623 363 N CA -0.736 52.302 53.050 -0.021 0.000 0.759 363 N CB 1.060 39.519 38.487 -0.046 0.000 2.016 363 N HN 0.273 nan 8.380 nan 0.000 0.637 364 E N -0.411 119.889 120.200 0.165 0.000 2.442 364 E HA 0.151 4.500 4.350 -0.002 0.000 0.195 364 E C -0.518 176.340 176.600 0.432 0.000 1.030 364 E CA 0.228 56.812 56.400 0.307 0.000 0.869 364 E CB -0.189 29.624 29.700 0.189 0.000 0.857 364 E HN 0.605 nan 8.360 nan 0.000 0.505 365 E N 1.012 121.382 120.200 0.283 0.000 2.415 365 E HA 0.342 4.691 4.350 -0.002 0.000 0.263 365 E C 0.234 176.977 176.600 0.239 0.000 0.995 365 E CA 0.240 56.749 56.400 0.182 0.000 0.915 365 E CB 0.668 30.400 29.700 0.053 0.000 0.951 365 E HN 0.246 nan 8.360 nan 0.000 0.449 366 G N 1.789 110.698 108.800 0.182 0.000 2.730 366 G HA2 0.435 4.394 3.960 -0.002 0.000 0.289 366 G HA3 0.435 4.394 3.960 -0.002 0.000 0.289 366 G C -0.276 174.678 174.900 0.090 0.000 1.341 366 G CA -0.689 44.517 45.100 0.176 0.000 0.932 366 G HN 0.464 nan 8.290 nan 0.000 0.481 379 G N 1.977 110.787 108.800 0.017 0.000 2.225 379 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.254 379 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.254 379 G C 0.113 175.013 174.900 -0.000 0.000 0.988 379 G CA -0.324 44.781 45.100 0.008 0.000 0.625 379 G HN 0.678 nan 8.290 nan 0.000 0.527 380 R N 0.941 121.444 120.500 0.005 0.000 2.449 380 R HA 0.473 4.812 4.340 -0.002 0.000 0.296 380 R C 0.993 177.266 176.300 -0.045 0.000 1.047 380 R CA 0.980 57.071 56.100 -0.014 0.000 1.018 380 R CB 0.531 30.833 30.300 0.003 0.000 0.962 380 R HN 0.335 nan 8.270 nan 0.000 0.428 381 T N -0.554 113.936 114.554 -0.107 0.000 2.954 381 T HA 0.145 4.493 4.350 -0.002 0.000 0.252 381 T C 0.914 175.394 174.700 -0.366 0.000 0.983 381 T CA 0.186 62.187 62.100 -0.165 0.000 0.941 381 T CB 0.797 69.617 68.868 -0.080 0.000 1.141 381 T HN 0.635 nan 8.240 nan 0.000 0.500 382 G N 0.452 109.062 108.800 -0.317 0.000 2.599 382 G HA2 0.435 4.393 3.960 -0.002 0.000 0.264 382 G HA3 0.435 4.393 3.960 -0.002 0.000 0.264 382 G C -0.509 174.066 174.900 -0.541 0.000 1.200 382 G CA -0.311 44.603 45.100 -0.310 0.000 0.896 382 G HN 0.457 nan 8.290 nan 0.000 0.536 383 H N 0.389 119.490 119.070 0.051 0.000 3.074 383 H HA 0.190 4.745 4.556 -0.003 0.000 0.227 383 H C 1.530 176.888 175.328 0.050 0.000 1.365 383 H CA -0.005 56.082 56.048 0.066 0.000 1.078 383 H CB 0.467 30.274 29.762 0.074 0.000 2.347 383 H HN 0.642 nan 8.280 nan 0.000 0.567 384 G N 0.014 108.878 108.800 0.106 0.000 2.430 384 G HA2 0.016 3.975 3.960 -0.002 0.000 0.216 384 G HA3 0.016 3.975 3.960 -0.002 0.000 0.216 384 G C 0.998 175.941 174.900 0.072 0.000 1.146 384 G CA 0.674 45.818 45.100 0.072 0.000 0.793 384 G HN 0.414 nan 8.290 nan 0.000 0.537 385 G N 0.106 108.955 108.800 0.081 0.000 2.702 385 G HA2 0.585 4.544 3.960 -0.002 0.000 0.254 385 G HA3 0.585 4.544 3.960 -0.002 0.000 0.254 385 G C -2.449 172.504 174.900 0.088 0.000 1.380 385 G CA -0.914 44.227 45.100 0.069 0.000 1.042 385 G HN 0.093 nan 8.290 nan 0.000 0.557 386 P HA 0.192 nan 4.420 nan 0.000 0.271 386 P C -1.105 176.269 177.300 0.124 0.000 1.216 386 P CA 0.189 63.344 63.100 0.092 0.000 0.776 386 P CB 1.152 32.900 31.700 0.080 0.000 0.881 387 Q N 1.790 121.677 119.800 0.145 0.000 2.365 387 Q HA 0.481 4.820 4.340 -0.002 0.000 0.269 387 Q C -1.348 174.792 176.000 0.232 0.000 1.061 387 Q CA -0.523 55.395 55.803 0.191 0.000 0.816 387 Q CB 2.565 31.397 28.738 0.157 0.000 1.325 387 Q HN 0.510 nan 8.270 nan 0.000 0.446 388 F N 1.746 121.746 119.950 0.084 0.000 2.610 388 F HA 0.372 4.899 4.527 -0.000 0.000 0.355 388 F C -1.195 174.655 175.800 0.084 0.000 1.140 388 F CA -0.644 57.382 58.000 0.042 0.000 1.037 388 F CB 0.974 39.959 39.000 -0.025 0.000 1.287 388 F HN 0.198 nan 8.300 nan 0.000 0.457 389 V N 6.042 125.892 119.914 -0.108 0.000 2.284 389 V HA 0.454 4.573 4.120 -0.002 0.000 0.274 389 V C 0.335 176.317 176.094 -0.186 0.000 1.023 389 V CA -0.528 61.762 62.300 -0.015 0.000 0.808 389 V CB 1.093 32.901 31.823 -0.025 0.000 1.035 389 V HN 0.848 nan 8.190 nan 0.000 0.445 390 A N 3.471 126.193 122.820 -0.164 0.000 3.126 390 A HA 0.379 4.698 4.320 -0.002 0.000 0.268 390 A C 0.786 178.414 177.584 0.073 0.000 1.605 390 A CA -0.305 51.597 52.037 -0.224 0.000 1.305 390 A CB -0.418 18.359 19.000 -0.370 0.000 1.160 390 A HN 0.841 nan 8.150 nan 0.000 0.609 391 D N 0.110 120.498 120.400 -0.020 0.000 2.463 391 D HA 0.059 4.698 4.640 -0.002 0.000 0.224 391 D C 0.282 176.216 176.300 -0.609 0.000 1.174 391 D CA -0.011 53.952 54.000 -0.062 0.000 0.829 391 D CB -0.282 40.541 40.800 0.037 0.000 0.993 391 D HN 0.650 nan 8.370 nan 0.000 0.497 392 H N -3.153 115.487 119.070 -0.717 0.000 2.990 392 H HA 0.511 5.065 4.556 -0.002 0.000 0.336 392 H C -3.367 171.868 175.328 -0.155 0.000 1.306 392 H CA -2.064 53.493 56.048 -0.817 0.000 1.118 392 H CB 0.119 29.655 29.762 -0.377 0.000 1.856 392 H HN -0.317 nan 8.280 nan 0.000 0.538 393 P HA 0.092 nan 4.420 nan 0.000 0.267 393 P C -0.817 176.590 177.300 0.179 0.000 1.200 393 P CA 0.479 63.691 63.100 0.186 0.000 0.772 393 P CB 0.065 31.833 31.700 0.113 0.000 0.855 394 F N 0.004 120.054 119.950 0.165 0.000 2.645 394 F HA 0.621 5.147 4.527 -0.001 0.000 0.310 394 F C -1.584 174.349 175.800 0.223 0.000 1.102 394 F CA -1.500 56.583 58.000 0.138 0.000 0.952 394 F CB 0.781 39.851 39.000 0.116 0.000 1.326 394 F HN -0.039 nan 8.300 nan 0.000 0.456 395 L N 2.547 123.982 121.223 0.353 0.000 2.379 395 L HA 0.677 5.016 4.340 -0.002 0.000 0.269 395 L C -0.749 176.345 176.870 0.372 0.000 1.084 395 L CA -0.872 54.061 54.840 0.155 0.000 0.802 395 L CB 1.511 43.515 42.059 -0.092 0.000 1.175 395 L HN 0.840 nan 8.230 nan 0.000 0.448 396 F N 1.636 121.562 119.950 -0.040 0.000 2.631 396 F HA 0.807 5.332 4.527 -0.003 0.000 0.308 396 F C -1.421 174.315 175.800 -0.107 0.000 1.097 396 F CA -1.319 56.737 58.000 0.093 0.000 0.952 396 F CB 1.435 40.676 39.000 0.402 0.000 1.307 396 F HN 0.243 nan 8.300 nan 0.000 0.450 397 L N 0.716 122.033 121.223 0.157 0.000 2.466 397 L HA 0.758 5.097 4.340 -0.002 0.000 0.258 397 L C -1.763 175.350 176.870 0.404 0.000 0.973 397 L CA -1.044 53.885 54.840 0.149 0.000 0.826 397 L CB 2.200 44.328 42.059 0.115 0.000 1.372 397 L HN 0.748 nan 8.230 nan 0.000 0.409 398 I N 3.385 124.202 120.570 0.411 0.000 2.330 398 I HA 0.473 4.641 4.170 -0.002 0.000 0.289 398 I C -0.597 175.672 176.117 0.253 0.000 1.001 398 I CA -0.416 61.102 61.300 0.363 0.000 1.193 398 I CB 1.629 39.838 38.000 0.348 0.000 1.345 398 I HN 0.516 nan 8.210 nan 0.000 0.461 399 M N 5.467 125.225 119.600 0.262 0.000 2.336 399 M HA 0.284 4.762 4.480 -0.002 0.000 0.342 399 M C -0.187 176.187 176.300 0.124 0.000 1.128 399 M CA -0.476 54.957 55.300 0.222 0.000 1.016 399 M CB 1.207 34.020 32.600 0.355 0.000 1.665 399 M HN 0.449 nan 8.290 nan 0.000 0.445 400 H N 4.144 123.197 119.070 -0.028 0.000 2.820 400 H HA 0.199 4.755 4.556 0.000 0.000 0.278 400 H C 0.310 175.642 175.328 0.007 0.000 1.142 400 H CA 0.255 56.260 56.048 -0.072 0.000 1.346 400 H CB 0.799 30.466 29.762 -0.158 0.000 1.438 400 H HN 0.657 nan 8.280 nan 0.000 0.473 401 K N 4.017 124.305 120.400 -0.187 0.000 2.147 401 K HA -0.080 4.239 4.320 -0.002 0.000 0.205 401 K C 1.810 178.357 176.600 -0.088 0.000 1.049 401 K CA 0.602 56.853 56.287 -0.060 0.000 0.936 401 K CB 0.513 33.012 32.500 -0.002 0.000 0.722 401 K HN 0.560 nan 8.250 nan 0.000 0.446 402 I N 1.380 121.809 120.570 -0.235 0.000 2.252 402 I HA -0.197 3.972 4.170 -0.002 0.000 0.245 402 I C 2.470 178.602 176.117 0.026 0.000 1.102 402 I CA 1.779 63.022 61.300 -0.095 0.000 1.385 402 I CB -1.162 36.773 38.000 -0.108 0.000 1.064 402 I HN 0.307 nan 8.210 nan 0.000 0.414 403 T N -3.233 111.402 114.554 0.135 0.000 3.051 403 T HA 0.020 4.369 4.350 -0.002 0.000 0.255 403 T C 1.112 175.865 174.700 0.089 0.000 1.085 403 T CA 0.425 62.605 62.100 0.132 0.000 1.109 403 T CB -0.301 68.651 68.868 0.141 0.000 0.921 403 T HN 0.412 nan 8.240 nan 0.000 0.488 404 N N -0.387 118.367 118.700 0.090 0.000 2.741 404 N HA -0.170 4.569 4.740 -0.002 0.000 0.250 404 N C -1.016 174.554 175.510 0.099 0.000 1.115 404 N CA 0.085 53.184 53.050 0.083 0.000 0.724 404 N CB -1.629 36.902 38.487 0.074 0.000 1.090 404 N HN 0.490 nan 8.380 nan 0.000 0.558 405 c N 1.145 119.802 118.600 0.095 0.000 2.369 405 c HA 0.451 5.020 4.570 -0.002 0.000 0.358 405 c C 1.083 175.227 174.090 0.091 0.000 1.274 405 c CA -0.603 55.777 56.329 0.084 0.000 1.935 405 c CB 0.031 42.538 42.510 -0.004 0.000 2.431 405 c HN 0.219 nan 8.230 nan 0.000 0.545 406 I N 5.542 126.188 120.570 0.127 0.000 2.494 406 I HA 0.014 4.182 4.170 -0.002 0.000 0.289 406 I C 1.038 177.209 176.117 0.089 0.000 1.106 406 I CA 0.316 61.699 61.300 0.138 0.000 1.369 406 I CB 0.553 38.655 38.000 0.169 0.000 1.410 406 I HN 0.704 nan 8.210 nan 0.000 0.523 407 L N 6.537 127.765 121.223 0.008 0.000 2.162 407 L HA 0.151 4.490 4.340 -0.002 0.000 0.205 407 L C -0.054 176.506 176.870 -0.517 0.000 1.086 407 L CA 0.996 55.696 54.840 -0.234 0.000 0.778 407 L CB -0.054 41.828 42.059 -0.294 0.000 0.928 407 L HN 0.389 nan 8.230 nan 0.000 0.446 408 F N -2.052 117.967 119.950 0.114 0.000 2.601 408 F HA 0.477 5.002 4.527 -0.003 0.000 0.309 408 F C -0.764 175.086 175.800 0.084 0.000 1.089 408 F CA -0.795 57.235 58.000 0.050 0.000 0.940 408 F CB 2.244 41.355 39.000 0.185 0.000 1.273 408 F HN -0.357 nan 8.300 nan 0.000 0.450 409 F N 0.753 120.649 119.950 -0.089 0.000 2.596 409 F HA 0.790 5.315 4.527 -0.003 0.000 0.311 409 F C -0.523 175.100 175.800 -0.294 0.000 1.116 409 F CA -0.367 57.517 58.000 -0.193 0.000 0.957 409 F CB 2.003 40.891 39.000 -0.187 0.000 1.250 409 F HN 0.605 nan 8.300 nan 0.000 0.444 410 G N 3.929 112.254 108.800 -0.791 0.000 2.682 410 G HA2 0.540 4.499 3.960 -0.002 0.000 0.290 410 G HA3 0.540 4.499 3.960 -0.002 0.000 0.290 410 G C -2.263 172.424 174.900 -0.356 0.000 1.425 410 G CA -1.105 43.772 45.100 -0.371 0.000 0.807 410 G HN 0.733 nan 8.290 nan 0.000 0.482 411 R N -0.104 120.492 120.500 0.160 0.000 2.439 411 R HA 0.526 4.864 4.340 -0.002 0.000 0.310 411 R C -1.821 174.599 176.300 0.201 0.000 0.955 411 R CA -0.753 55.468 56.100 0.201 0.000 0.853 411 R CB 1.240 31.717 30.300 0.294 0.000 1.171 411 R HN 0.347 nan 8.270 nan 0.000 0.449 412 F N 4.309 124.135 119.950 -0.206 0.000 2.361 412 F HA 0.237 4.763 4.527 -0.002 0.000 0.364 412 F C 0.342 175.870 175.800 -0.454 0.000 1.120 412 F CA -0.170 57.492 58.000 -0.564 0.000 1.102 412 F CB 1.553 39.724 39.000 -1.382 0.000 1.183 412 F HN 0.635 nan 8.300 nan 0.000 0.476 413 S N 1.491 116.688 115.700 -0.839 0.000 2.651 413 S HA 0.305 4.773 4.470 -0.002 0.000 0.259 413 S C -0.205 174.085 174.600 -0.517 0.000 1.073 413 S CA -0.088 57.844 58.200 -0.446 0.000 1.090 413 S CB 0.089 63.189 63.200 -0.166 0.000 1.042 413 S HN 0.344 nan 8.310 nan 0.000 0.581 414 S N 3.330 118.481 115.700 -0.914 0.000 2.620 414 S HA 0.570 5.038 4.470 -0.002 0.000 0.244 414 S C -2.886 171.352 174.600 -0.603 0.000 1.192 414 S CA -0.765 57.113 58.200 -0.536 0.000 1.148 414 S CB 1.665 64.705 63.200 -0.266 0.000 1.106 414 S HN 0.230 nan 8.310 nan 0.000 0.474 415 P HA 0.000 nan 4.420 nan 0.000 0.216 415 P CA 0.000 63.004 63.100 -0.161 0.000 0.800 415 P CB 0.000 31.631 31.700 -0.115 0.000 0.726