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 1u7g_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF XXICTALVLF XTIPGIALFY GGLIRGKNVL SXLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLASGEGN NFFGNINWLX LKNIELTAVX GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFPAVLIFV VVWLTLSYIP IAHXVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLI GKRVGFGKEA FKPHNLPXVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGLPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTXL DATA SEQUENCE KRLLRVDDPC DVFGVHGVCG IVGCIXTGIF AASSLGGVGF AEGVTXGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.565 177.584 -0.032 0.000 1.274 3 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 3 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 4 V N 0.273 120.154 119.914 -0.055 0.000 2.680 4 V HA 0.724 4.844 4.120 0.000 0.000 0.309 4 V C 0.640 176.641 176.094 -0.156 0.000 1.052 4 V CA -0.064 62.190 62.300 -0.077 0.000 0.908 4 V CB 1.709 33.507 31.823 -0.041 0.000 1.001 4 V HN 1.862 nan 8.190 nan 0.000 0.431 5 A N 2.480 125.130 122.820 -0.284 0.000 2.388 5 A HA 0.417 4.737 4.320 0.000 0.000 0.257 5 A C -0.084 177.352 177.584 -0.248 0.000 1.095 5 A CA -0.150 51.623 52.037 -0.440 0.000 0.791 5 A CB 0.225 18.539 19.000 -1.143 0.000 1.029 5 A HN 0.825 nan 8.150 nan 0.000 0.489 6 D N 1.807 122.094 120.400 -0.189 0.000 2.317 6 D HA 0.170 4.810 4.640 0.000 0.000 0.234 6 D C 0.702 176.953 176.300 -0.081 0.000 1.112 6 D CA -0.245 53.691 54.000 -0.105 0.000 0.840 6 D CB 0.892 41.645 40.800 -0.078 0.000 1.078 6 D HN 0.537 nan 8.370 nan 0.000 0.486 7 K N 2.385 122.761 120.400 -0.041 0.000 2.147 7 K HA -0.120 4.200 4.320 0.000 0.000 0.205 7 K C 1.760 178.369 176.600 0.015 0.000 1.049 7 K CA 0.972 57.260 56.287 0.003 0.000 0.936 7 K CB 0.120 32.636 32.500 0.025 0.000 0.722 7 K HN 0.464 nan 8.250 nan 0.000 0.446 8 A N 2.077 124.898 122.820 0.001 0.000 1.902 8 A HA -0.212 4.108 4.320 0.000 0.000 0.217 8 A C 1.621 179.234 177.584 0.048 0.000 1.181 8 A CA 1.898 53.942 52.037 0.012 0.000 0.623 8 A CB -0.334 18.652 19.000 -0.024 0.000 0.818 8 A HN 0.179 nan 8.150 nan 0.000 0.443 9 D N 0.027 120.442 120.400 0.025 0.000 2.144 9 D HA -0.109 4.531 4.640 0.000 0.000 0.200 9 D C 1.635 177.981 176.300 0.078 0.000 0.978 9 D CA 1.016 55.057 54.000 0.068 0.000 0.833 9 D CB -0.442 40.360 40.800 0.003 0.000 0.961 9 D HN 0.347 nan 8.370 nan 0.000 0.470 10 N N 1.192 119.908 118.700 0.026 0.000 2.069 10 N HA -0.150 4.590 4.740 0.000 0.000 0.191 10 N C 1.800 177.356 175.510 0.077 0.000 1.031 10 N CA 1.456 54.535 53.050 0.049 0.000 0.852 10 N CB -0.465 38.068 38.487 0.076 0.000 1.018 10 N HN 0.138 nan 8.380 nan 0.000 0.423 11 A N 1.184 124.058 122.820 0.090 0.000 1.858 11 A HA -0.103 4.217 4.320 0.000 0.000 0.216 11 A C 1.248 178.909 177.584 0.129 0.000 1.190 11 A CA 0.503 52.598 52.037 0.097 0.000 0.617 11 A CB -0.957 18.098 19.000 0.092 0.000 0.827 11 A HN 0.241 nan 8.150 nan 0.000 0.443 16 C N 1.460 120.672 119.300 -0.146 0.000 2.425 16 C HA -0.119 4.342 4.460 0.000 0.000 0.277 16 C C 2.866 177.969 174.990 0.187 0.000 1.280 16 C CA 2.167 61.150 59.018 -0.057 0.000 1.744 16 C CB -0.941 26.627 27.740 -0.286 0.000 1.989 16 C HN 0.537 nan 8.230 nan 0.000 0.491 17 T N 1.131 115.819 114.554 0.224 0.000 2.746 17 T HA -0.111 4.239 4.350 0.000 0.000 0.267 17 T C 2.136 176.915 174.700 0.131 0.000 1.039 17 T CA 1.581 63.840 62.100 0.264 0.000 1.142 17 T CB -0.406 68.597 68.868 0.225 0.000 0.866 17 T HN 0.643 nan 8.240 nan 0.000 0.444 18 A N 1.297 124.170 122.820 0.088 0.000 1.908 18 A HA -0.023 4.297 4.320 0.000 0.000 0.218 18 A C 2.304 179.935 177.584 0.079 0.000 1.181 18 A CA 1.258 53.330 52.037 0.057 0.000 0.627 18 A CB -0.893 18.112 19.000 0.008 0.000 0.818 18 A HN 0.476 nan 8.150 nan 0.000 0.445 19 L N -0.609 120.673 121.223 0.099 0.000 2.046 19 L HA -0.164 4.176 4.340 0.000 0.000 0.208 19 L C 2.516 179.485 176.870 0.165 0.000 1.077 19 L CA 1.093 56.037 54.840 0.173 0.000 0.747 19 L CB -0.475 41.690 42.059 0.175 0.000 0.896 19 L HN 0.264 nan 8.230 nan 0.000 0.432 20 V N -0.053 119.921 119.914 0.099 0.000 2.358 20 V HA -0.262 3.858 4.120 0.000 0.000 0.246 20 V C 2.367 178.453 176.094 -0.014 0.000 1.047 20 V CA 1.416 63.703 62.300 -0.021 0.000 1.035 20 V CB -0.349 31.395 31.823 -0.132 0.000 0.658 20 V HN 0.345 nan 8.190 nan 0.000 0.452 21 L N -1.386 119.873 121.223 0.061 0.000 2.079 21 L HA -0.115 4.225 4.340 0.000 0.000 0.210 21 L C 1.621 178.538 176.870 0.077 0.000 1.081 21 L CA 0.887 55.788 54.840 0.101 0.000 0.752 21 L CB -0.471 41.681 42.059 0.154 0.000 0.896 21 L HN 0.311 nan 8.230 nan 0.000 0.433 25 I N 4.200 124.583 120.570 -0.313 0.000 2.412 25 I HA 0.348 4.518 4.170 0.000 0.000 0.279 25 I C -2.227 173.840 176.117 -0.082 0.000 1.063 25 I CA -2.146 58.970 61.300 -0.306 0.000 1.193 25 I CB 0.916 38.574 38.000 -0.571 0.000 1.370 25 I HN 0.144 nan 8.210 nan 0.000 0.479 26 P HA 0.197 nan 4.420 nan 0.000 0.290 26 P C 1.230 178.421 177.300 -0.182 0.000 1.447 26 P CA 0.102 63.124 63.100 -0.131 0.000 1.127 26 P CB 1.052 32.715 31.700 -0.061 0.000 1.555 27 G N 1.834 110.454 108.800 -0.300 0.000 2.586 27 G HA2 -0.293 3.667 3.960 0.000 0.000 0.218 27 G HA3 -0.293 3.667 3.960 0.000 0.000 0.218 27 G C 1.263 176.058 174.900 -0.175 0.000 1.216 27 G CA 0.888 45.800 45.100 -0.314 0.000 0.786 27 G HN 0.279 nan 8.290 nan 0.000 0.583 28 I N 1.541 122.017 120.570 -0.156 0.000 2.546 28 I HA 0.165 4.335 4.170 0.000 0.000 0.255 28 I C 2.891 179.066 176.117 0.097 0.000 1.163 28 I CA 0.979 62.233 61.300 -0.078 0.000 1.457 28 I CB -0.250 37.705 38.000 -0.074 0.000 1.092 28 I HN 0.199 nan 8.210 nan 0.000 0.434 29 A N 0.119 122.964 122.820 0.042 0.000 1.898 29 A HA -0.110 4.210 4.320 0.000 0.000 0.216 29 A C 2.255 179.879 177.584 0.065 0.000 1.181 29 A CA 1.528 53.611 52.037 0.077 0.000 0.620 29 A CB -0.839 18.165 19.000 0.006 0.000 0.819 29 A HN 0.444 nan 8.150 nan 0.000 0.442 30 L N -2.114 119.115 121.223 0.010 0.000 2.093 30 L HA -0.124 4.216 4.340 0.000 0.000 0.208 30 L C 2.453 179.318 176.870 -0.009 0.000 1.085 30 L CA 1.410 56.245 54.840 -0.009 0.000 0.755 30 L CB -0.549 41.483 42.059 -0.045 0.000 0.904 30 L HN 0.494 nan 8.230 nan 0.000 0.435 31 F N 0.083 119.923 119.950 -0.184 0.000 2.069 31 F HA -0.311 4.216 4.527 0.000 0.000 0.298 31 F C 2.323 177.958 175.800 -0.275 0.000 1.113 31 F CA 1.756 59.585 58.000 -0.285 0.000 1.214 31 F CB -0.366 38.393 39.000 -0.401 0.000 0.978 31 F HN -0.055 nan 8.300 nan 0.000 0.474 32 Y N 0.374 120.673 120.300 -0.002 0.000 2.373 32 Y HA 0.071 4.621 4.550 0.000 0.000 0.293 32 Y C 2.634 178.453 175.900 -0.134 0.000 1.129 32 Y CA 0.833 58.859 58.100 -0.122 0.000 1.226 32 Y CB -1.272 37.183 38.460 -0.007 0.000 1.000 32 Y HN 0.141 nan 8.280 nan 0.000 0.549 33 G N -0.512 108.324 108.800 0.061 0.000 2.450 33 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 33 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 33 G C 1.974 176.848 174.900 -0.044 0.000 1.130 33 G CA 0.966 46.075 45.100 0.014 0.000 0.760 33 G HN 0.507 nan 8.290 nan 0.000 0.557 34 G N -0.087 108.632 108.800 -0.134 0.000 2.813 34 G HA2 0.166 4.126 3.960 0.000 0.000 0.209 34 G HA3 0.166 4.126 3.960 0.000 0.000 0.209 34 G C 1.464 176.223 174.900 -0.236 0.000 1.150 34 G CA 0.092 45.085 45.100 -0.179 0.000 0.785 34 G HN 0.436 nan 8.290 nan 0.000 0.535 35 L N 0.211 121.282 121.223 -0.253 0.000 2.609 35 L HA 0.417 4.757 4.340 0.000 0.000 0.230 35 L C 0.990 177.900 176.870 0.067 0.000 1.087 35 L CA -0.078 54.587 54.840 -0.291 0.000 0.874 35 L CB 0.107 41.908 42.059 -0.429 0.000 1.114 35 L HN 0.256 nan 8.230 nan 0.000 0.488 36 I N -2.183 118.417 120.570 0.049 0.000 2.947 36 I HA 0.437 4.607 4.170 0.000 0.000 0.314 36 I C 0.125 176.280 176.117 0.064 0.000 1.028 36 I CA -1.112 60.237 61.300 0.082 0.000 1.077 36 I CB 1.129 39.159 38.000 0.049 0.000 1.274 36 I HN -0.023 nan 8.210 nan 0.000 0.485 37 R N 2.642 123.175 120.500 0.055 0.000 2.643 37 R HA 0.185 4.525 4.340 0.000 0.000 0.270 37 R C 0.856 177.172 176.300 0.027 0.000 1.061 37 R CA 0.204 56.327 56.100 0.038 0.000 1.107 37 R CB -0.416 29.896 30.300 0.021 0.000 0.999 37 R HN 0.973 nan 8.270 nan 0.000 0.460 38 G N 2.741 111.555 108.800 0.024 0.000 2.505 38 G HA2 -0.411 3.549 3.960 0.000 0.000 0.220 38 G HA3 -0.411 3.549 3.960 0.000 0.000 0.220 38 G C 1.234 176.142 174.900 0.013 0.000 1.145 38 G CA 1.327 46.438 45.100 0.020 0.000 0.761 38 G HN 0.850 nan 8.290 nan 0.000 0.571 39 K N -0.255 120.149 120.400 0.007 0.000 2.362 39 K HA 0.033 4.353 4.320 0.000 0.000 0.200 39 K C 1.328 177.932 176.600 0.006 0.000 1.046 39 K CA 1.277 57.566 56.287 0.002 0.000 0.952 39 K CB -0.026 32.471 32.500 -0.006 0.000 0.753 39 K HN 0.168 nan 8.250 nan 0.000 0.466 40 N N 0.294 119.000 118.700 0.010 0.000 2.184 40 N HA 0.049 4.789 4.740 0.000 0.000 0.206 40 N C 1.200 176.721 175.510 0.018 0.000 1.151 40 N CA 0.075 53.132 53.050 0.011 0.000 0.878 40 N CB 0.821 39.311 38.487 0.004 0.000 1.014 40 N HN -0.034 nan 8.380 nan 0.000 0.512 41 V N 1.260 121.186 119.914 0.021 0.000 2.358 41 V HA -0.122 3.998 4.120 0.000 0.000 0.246 41 V C 2.293 178.405 176.094 0.030 0.000 1.047 41 V CA 1.173 63.488 62.300 0.025 0.000 1.035 41 V CB -0.357 31.481 31.823 0.025 0.000 0.658 41 V HN 0.249 nan 8.190 nan 0.000 0.452 42 L N -0.418 120.823 121.223 0.030 0.000 2.012 42 L HA -0.137 4.203 4.340 0.000 0.000 0.210 42 L C 1.739 178.642 176.870 0.054 0.000 1.073 42 L CA 0.927 55.789 54.840 0.036 0.000 0.748 42 L CB -0.691 41.386 42.059 0.029 0.000 0.891 42 L HN 0.292 nan 8.230 nan 0.000 0.431 46 T N 0.149 114.768 114.554 0.108 0.000 2.746 46 T HA -0.182 4.168 4.350 0.000 0.000 0.267 46 T C 1.609 176.435 174.700 0.210 0.000 1.039 46 T CA 1.729 63.939 62.100 0.183 0.000 1.142 46 T CB -0.103 68.909 68.868 0.240 0.000 0.866 46 T HN 0.291 nan 8.240 nan 0.000 0.444 47 Q N 0.190 120.064 119.800 0.124 0.000 2.119 47 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 47 Q C 2.584 178.568 176.000 -0.026 0.000 0.972 47 Q CA 0.981 56.742 55.803 -0.070 0.000 0.847 47 Q CB -0.311 28.341 28.738 -0.143 0.000 0.903 47 Q HN 0.344 nan 8.270 nan 0.000 0.433 48 V N 0.441 120.367 119.914 0.019 0.000 2.358 48 V HA -0.237 3.884 4.120 0.000 0.000 0.246 48 V C 2.129 178.275 176.094 0.086 0.000 1.047 48 V CA 2.112 64.434 62.300 0.038 0.000 1.035 48 V CB -0.636 31.204 31.823 0.028 0.000 0.658 48 V HN 0.419 nan 8.190 nan 0.000 0.452 49 T N -0.280 114.327 114.554 0.088 0.000 2.812 49 T HA -0.116 4.234 4.350 0.000 0.000 0.264 49 T C 1.919 176.744 174.700 0.207 0.000 1.042 49 T CA 1.518 63.694 62.100 0.126 0.000 1.140 49 T CB -0.092 68.833 68.868 0.096 0.000 0.870 49 T HN 0.278 nan 8.240 nan 0.000 0.445 50 V N 2.321 122.337 119.914 0.170 0.000 2.453 50 V HA -0.139 3.981 4.120 0.000 0.000 0.247 50 V C 2.998 179.155 176.094 0.105 0.000 1.048 50 V CA 2.033 64.437 62.300 0.173 0.000 1.049 50 V CB -1.206 30.787 31.823 0.285 0.000 0.672 50 V HN 0.708 nan 8.190 nan 0.000 0.457 51 T N -1.659 112.926 114.554 0.051 0.000 2.915 51 T HA -0.203 4.147 4.350 0.000 0.000 0.269 51 T C 1.802 176.550 174.700 0.080 0.000 1.071 51 T CA 1.414 63.535 62.100 0.034 0.000 1.132 51 T CB -0.599 68.272 68.868 0.005 0.000 0.878 51 T HN 0.387 nan 8.240 nan 0.000 0.479 52 F N 2.981 122.923 119.950 -0.012 0.000 2.095 52 F HA 0.049 4.576 4.527 0.000 0.000 0.298 52 F C 2.582 178.377 175.800 -0.008 0.000 1.104 52 F CA 1.129 59.118 58.000 -0.018 0.000 1.232 52 F CB -0.891 38.101 39.000 -0.013 0.000 0.987 52 F HN 0.258 nan 8.300 nan 0.000 0.475 53 A N 0.470 123.309 122.820 0.031 0.000 1.902 53 A HA -0.159 4.161 4.320 0.000 0.000 0.217 53 A C 2.124 179.639 177.584 -0.115 0.000 1.181 53 A CA 1.689 53.681 52.037 -0.077 0.000 0.623 53 A CB -1.338 17.711 19.000 0.081 0.000 0.818 53 A HN 0.527 nan 8.150 nan 0.000 0.443 54 L N 0.080 121.278 121.223 -0.041 0.000 2.012 54 L HA -0.132 4.208 4.340 0.000 0.000 0.210 54 L C 2.386 179.209 176.870 -0.078 0.000 1.073 54 L CA 2.052 56.871 54.840 -0.034 0.000 0.748 54 L CB -0.621 41.441 42.059 0.004 0.000 0.891 54 L HN 0.157 nan 8.230 nan 0.000 0.431 55 V N -1.150 118.696 119.914 -0.114 0.000 2.343 55 V HA -0.360 3.760 4.120 0.000 0.000 0.247 55 V C 2.667 178.671 176.094 -0.151 0.000 1.051 55 V CA 1.858 64.083 62.300 -0.125 0.000 1.036 55 V CB -0.890 30.839 31.823 -0.157 0.000 0.654 55 V HN 0.652 nan 8.190 nan 0.000 0.451 56 C N -0.243 118.877 119.300 -0.299 0.000 2.413 56 C HA -0.160 4.300 4.460 0.000 0.000 0.276 56 C C 2.584 177.519 174.990 -0.091 0.000 1.248 56 C CA 0.665 59.528 59.018 -0.259 0.000 1.742 56 C CB -0.971 26.528 27.740 -0.400 0.000 2.017 56 C HN 0.471 nan 8.230 nan 0.000 0.481 57 I N 0.613 121.123 120.570 -0.099 0.000 2.233 57 I HA -0.090 4.080 4.170 0.000 0.000 0.243 57 I C 2.396 178.451 176.117 -0.103 0.000 1.093 57 I CA 1.578 62.837 61.300 -0.068 0.000 1.380 57 I CB -1.447 36.525 38.000 -0.048 0.000 1.067 57 I HN 0.336 nan 8.210 nan 0.000 0.413 58 L N -0.764 120.373 121.223 -0.144 0.000 2.131 58 L HA -0.250 4.090 4.340 0.000 0.000 0.210 58 L C 2.600 179.215 176.870 -0.426 0.000 1.092 58 L CA 1.324 55.939 54.840 -0.376 0.000 0.759 58 L CB -0.594 41.261 42.059 -0.341 0.000 0.903 58 L HN 0.463 nan 8.230 nan 0.000 0.435 59 W N 0.510 121.623 121.300 -0.311 0.000 2.355 59 W HA -0.195 4.465 4.660 0.000 0.000 0.309 59 W C 2.122 178.565 176.519 -0.127 0.000 1.206 59 W CA 1.658 58.888 57.345 -0.192 0.000 1.284 59 W CB 0.032 29.407 29.460 -0.142 0.000 1.145 59 W HN -0.065 nan 8.180 nan 0.000 0.502 60 V N 0.438 120.304 119.914 -0.081 0.000 2.548 60 V HA -0.255 3.865 4.120 0.000 0.000 0.249 60 V C 2.138 178.145 176.094 -0.144 0.000 1.055 60 V CA 1.351 63.562 62.300 -0.149 0.000 1.065 60 V CB -0.662 31.111 31.823 -0.082 0.000 0.681 60 V HN 0.011 nan 8.190 nan 0.000 0.462 61 V N 0.255 120.078 119.914 -0.151 0.000 2.261 61 V HA -0.227 3.893 4.120 0.000 0.000 0.246 61 V C 1.930 178.030 176.094 0.010 0.000 1.047 61 V CA 2.859 65.122 62.300 -0.062 0.000 1.015 61 V CB -0.564 31.243 31.823 -0.028 0.000 0.642 61 V HN 0.872 nan 8.190 nan 0.000 0.446 62 Y N -2.264 117.991 120.300 -0.076 0.000 2.491 62 Y HA 0.549 5.099 4.550 0.000 0.000 0.276 62 Y C 1.904 177.689 175.900 -0.192 0.000 1.041 62 Y CA 0.309 58.352 58.100 -0.095 0.000 1.191 62 Y CB -0.533 37.885 38.460 -0.070 0.000 1.365 62 Y HN -0.035 nan 8.280 nan 0.000 0.566 63 G N 0.866 109.380 108.800 -0.476 0.000 2.402 63 G HA2 -0.310 3.650 3.960 0.000 0.000 0.216 63 G HA3 -0.310 3.650 3.960 0.000 0.000 0.216 63 G C 1.402 175.722 174.900 -0.967 0.000 1.162 63 G CA 1.304 46.117 45.100 -0.479 0.000 0.777 63 G HN 0.485 nan 8.290 nan 0.000 0.539 64 Y N 1.695 121.071 120.300 -1.541 0.000 2.128 64 Y HA -0.142 4.408 4.550 -0.000 0.000 0.284 64 Y C 3.104 178.841 175.900 -0.270 0.000 1.154 64 Y CA 1.789 59.207 58.100 -1.137 0.000 1.149 64 Y CB -0.515 37.462 38.460 -0.805 0.000 0.976 64 Y HN 0.237 nan 8.280 nan 0.000 0.505 65 S N -0.357 115.276 115.700 -0.110 0.000 2.382 65 S HA -0.148 4.322 4.470 0.000 0.000 0.228 65 S C 1.966 176.509 174.600 -0.093 0.000 1.027 65 S CA 1.571 59.791 58.200 0.033 0.000 0.991 65 S CB -0.508 62.772 63.200 0.135 0.000 0.823 65 S HN 0.523 nan 8.310 nan 0.000 0.469 66 L N 0.413 121.589 121.223 -0.079 0.000 2.313 66 L HA 0.132 4.472 4.340 0.000 0.000 0.214 66 L C 2.616 179.461 176.870 -0.041 0.000 1.119 66 L CA 0.836 55.653 54.840 -0.038 0.000 0.809 66 L CB -0.386 41.682 42.059 0.017 0.000 0.933 66 L HN 0.366 nan 8.230 nan 0.000 0.449 67 A N -1.368 121.420 122.820 -0.053 0.000 1.903 67 A HA -0.037 4.283 4.320 0.000 0.000 0.213 67 A C 2.324 180.033 177.584 0.209 0.000 1.185 67 A CA 1.365 53.470 52.037 0.114 0.000 0.628 67 A CB -0.116 19.019 19.000 0.225 0.000 0.830 67 A HN 0.266 nan 8.150 nan 0.000 0.446 68 S N -0.774 114.911 115.700 -0.026 0.000 2.512 68 S HA 0.291 4.761 4.470 0.000 0.000 0.216 68 S C 1.113 175.764 174.600 0.084 0.000 1.006 68 S CA 0.154 58.365 58.200 0.018 0.000 0.915 68 S CB 0.209 63.267 63.200 -0.236 0.000 0.824 68 S HN 0.701 nan 8.310 nan 0.000 0.497 69 G N 2.272 111.040 108.800 -0.054 0.000 2.569 69 G HA2 0.358 4.319 3.960 0.000 0.000 0.249 69 G HA3 0.358 4.319 3.960 0.000 0.000 0.249 69 G C -0.332 174.494 174.900 -0.124 0.000 1.216 69 G CA -0.542 44.361 45.100 -0.327 0.000 0.845 69 G HN 0.489 nan 8.290 nan 0.000 0.568 70 E N 0.184 120.260 120.200 -0.205 0.000 2.338 70 E HA 0.596 4.947 4.350 0.000 0.000 0.272 70 E C 0.663 177.186 176.600 -0.129 0.000 1.029 70 E CA -0.240 56.114 56.400 -0.077 0.000 0.872 70 E CB 1.459 31.102 29.700 -0.096 0.000 1.015 70 E HN 0.535 nan 8.360 nan 0.000 0.417 71 G N 3.118 111.859 108.800 -0.098 0.000 3.504 71 G HA2 0.091 4.051 3.960 0.000 0.000 0.157 71 G HA3 0.091 4.051 3.960 0.000 0.000 0.157 71 G C -0.600 174.150 174.900 -0.250 0.000 1.245 71 G CA 0.158 45.111 45.100 -0.245 0.000 1.410 71 G HN 0.729 nan 8.290 nan 0.000 0.731 72 N N -0.490 117.982 118.700 -0.380 0.000 3.379 72 N HA 0.202 4.942 4.740 0.000 0.000 0.350 72 N C -0.081 175.291 175.510 -0.231 0.000 1.553 72 N CA -0.753 52.115 53.050 -0.303 0.000 0.712 72 N CB 0.611 38.864 38.487 -0.391 0.000 1.880 72 N HN 0.087 nan 8.380 nan 0.000 0.648 73 N N -0.646 117.822 118.700 -0.387 0.000 2.453 73 N HA 0.081 4.821 4.740 0.000 0.000 0.183 73 N C 0.566 175.645 175.510 -0.718 0.000 1.041 73 N CA 0.971 53.639 53.050 -0.637 0.000 0.900 73 N CB -0.218 37.682 38.487 -0.979 0.000 0.961 73 N HN 0.415 nan 8.380 nan 0.000 0.443 74 F N -1.356 118.573 119.950 -0.036 0.000 2.711 74 F HA 0.243 4.770 4.527 0.000 0.000 0.296 74 F C 0.287 176.112 175.800 0.041 0.000 1.096 74 F CA -0.504 57.507 58.000 0.019 0.000 1.280 74 F CB 0.398 39.514 39.000 0.195 0.000 1.060 74 F HN -0.180 nan 8.300 nan 0.000 0.608 75 F N -1.730 118.117 119.950 -0.171 0.000 2.711 75 F HA 0.826 5.353 4.527 0.000 0.000 0.313 75 F C 0.284 175.482 175.800 -1.003 0.000 1.141 75 F CA -1.463 56.188 58.000 -0.581 0.000 0.941 75 F CB 0.453 39.330 39.000 -0.204 0.000 1.349 75 F HN -0.108 nan 8.300 nan 0.000 0.464 76 G N 0.383 108.776 108.800 -0.677 0.000 3.199 76 G HA2 0.417 4.377 3.960 0.000 0.000 0.184 76 G HA3 0.417 4.377 3.960 0.000 0.000 0.184 76 G C -0.749 174.061 174.900 -0.151 0.000 1.974 76 G CA 0.008 44.835 45.100 -0.456 0.000 0.885 76 G HN 1.074 nan 8.290 nan 0.000 0.575 77 N N -1.463 117.162 118.700 -0.124 0.000 3.204 77 N HA 0.303 5.043 4.740 0.000 0.000 0.285 77 N C -0.273 175.187 175.510 -0.083 0.000 1.536 77 N CA -0.497 52.499 53.050 -0.090 0.000 0.832 77 N CB 1.550 39.916 38.487 -0.202 0.000 1.645 77 N HN 0.524 nan 8.380 nan 0.000 0.586 78 I N -3.207 117.318 120.570 -0.075 0.000 3.654 78 I HA 0.345 4.515 4.170 0.000 0.000 0.337 78 I C -0.197 175.896 176.117 -0.041 0.000 1.568 78 I CA -0.642 60.635 61.300 -0.038 0.000 1.115 78 I CB -0.617 37.364 38.000 -0.031 0.000 1.300 78 I HN 0.362 nan 8.210 nan 0.000 0.471 79 N N 0.510 119.126 118.700 -0.140 0.000 2.463 79 N HA 0.020 4.760 4.740 0.000 0.000 0.181 79 N C 0.156 175.695 175.510 0.047 0.000 1.078 79 N CA 0.392 53.362 53.050 -0.133 0.000 0.902 79 N CB 0.152 38.452 38.487 -0.312 0.000 0.970 79 N HN 0.497 nan 8.380 nan 0.000 0.451 80 W N 1.961 123.280 121.300 0.032 0.000 2.764 80 W HA 0.397 5.057 4.660 -0.000 0.000 0.427 80 W C -0.019 176.523 176.519 0.038 0.000 0.896 80 W CA -0.900 56.479 57.345 0.058 0.000 2.307 80 W CB -0.711 28.815 29.460 0.111 0.000 1.192 80 W HN -0.054 nan 8.180 nan 0.000 0.731 84 K N -0.038 120.446 120.400 0.139 0.000 2.380 84 K HA 0.196 4.516 4.320 0.000 0.000 0.267 84 K C 0.450 177.197 176.600 0.243 0.000 0.990 84 K CA 0.132 56.514 56.287 0.158 0.000 0.946 84 K CB 0.429 33.012 32.500 0.139 0.000 0.937 84 K HN 0.171 nan 8.250 nan 0.000 0.491 85 N N -0.415 118.401 118.700 0.193 0.000 2.936 85 N HA -0.180 4.560 4.740 0.000 0.000 0.236 85 N C -0.826 174.805 175.510 0.203 0.000 0.930 85 N CA 1.343 54.531 53.050 0.230 0.000 0.966 85 N CB -1.332 37.354 38.487 0.331 0.000 1.090 85 N HN 0.654 nan 8.380 nan 0.000 0.592 86 I N 1.772 122.398 120.570 0.093 0.000 2.307 86 I HA 0.114 4.284 4.170 0.000 0.000 0.289 86 I C 0.720 176.888 176.117 0.085 0.000 1.021 86 I CA -0.443 60.862 61.300 0.009 0.000 1.224 86 I CB 0.938 38.843 38.000 -0.159 0.000 1.376 86 I HN -0.154 nan 8.210 nan 0.000 0.470 87 E N 5.683 125.913 120.200 0.049 0.000 2.413 87 E HA 0.065 4.415 4.350 0.000 0.000 0.263 87 E C 1.058 177.608 176.600 -0.083 0.000 1.015 87 E CA -0.005 56.394 56.400 -0.001 0.000 0.916 87 E CB 1.408 31.113 29.700 0.008 0.000 0.947 87 E HN 0.599 nan 8.360 nan 0.000 0.440 88 L N 1.386 122.479 121.223 -0.217 0.000 2.191 88 L HA -0.171 4.169 4.340 0.000 0.000 0.212 88 L C 2.053 178.703 176.870 -0.367 0.000 1.103 88 L CA 1.592 56.154 54.840 -0.465 0.000 0.769 88 L CB -0.560 41.185 42.059 -0.523 0.000 0.908 88 L HN 0.537 nan 8.230 nan 0.000 0.438 89 T N -2.838 111.599 114.554 -0.194 0.000 3.144 89 T HA 0.362 4.712 4.350 0.000 0.000 0.249 89 T C 0.811 175.628 174.700 0.195 0.000 1.089 89 T CA 0.031 62.095 62.100 -0.060 0.000 0.989 89 T CB -0.158 68.705 68.868 -0.010 0.000 0.992 89 T HN 0.198 nan 8.240 nan 0.000 0.540 90 A N 1.202 124.093 122.820 0.119 0.000 2.531 90 A HA 0.538 4.858 4.320 0.000 0.000 0.236 90 A C 0.378 178.069 177.584 0.178 0.000 1.062 90 A CA -0.304 51.806 52.037 0.122 0.000 0.760 90 A CB 0.133 19.173 19.000 0.066 0.000 0.995 90 A HN 0.345 nan 8.150 nan 0.000 0.501 94 S N 0.225 115.868 115.700 -0.095 0.000 2.754 94 S HA 0.567 5.037 4.470 0.000 0.000 0.247 94 S C 0.458 174.963 174.600 -0.159 0.000 1.031 94 S CA 0.092 58.224 58.200 -0.113 0.000 1.014 94 S CB -0.589 62.563 63.200 -0.081 0.000 0.918 94 S HN 1.208 nan 8.310 nan 0.000 0.519 95 I N -2.717 117.758 120.570 -0.159 0.000 3.002 95 I HA 0.690 4.860 4.170 0.000 0.000 0.310 95 I C -0.999 174.997 176.117 -0.203 0.000 1.087 95 I CA -1.794 59.393 61.300 -0.189 0.000 1.017 95 I CB 0.864 38.824 38.000 -0.067 0.000 1.226 95 I HN -0.129 nan 8.210 nan 0.000 0.443 96 Y N 1.926 122.230 120.300 0.006 0.000 2.712 96 Y HA -0.033 4.517 4.550 0.000 0.000 0.333 96 Y C 1.744 177.670 175.900 0.043 0.000 1.225 96 Y CA 0.552 58.659 58.100 0.012 0.000 1.499 96 Y CB 0.351 38.813 38.460 0.004 0.000 1.288 96 Y HN 0.680 nan 8.280 nan 0.000 0.575 97 Q N 1.921 121.846 119.800 0.208 0.000 2.135 97 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 97 Q C 1.220 177.303 176.000 0.138 0.000 0.981 97 Q CA 1.727 57.602 55.803 0.119 0.000 0.856 97 Q CB -0.203 28.546 28.738 0.019 0.000 0.902 97 Q HN 0.844 nan 8.270 nan 0.000 0.425 98 Y N 0.270 120.553 120.300 -0.029 0.000 2.256 98 Y HA -0.210 4.340 4.550 0.000 0.000 0.288 98 Y C 1.855 177.743 175.900 -0.020 0.000 1.155 98 Y CA 1.155 59.207 58.100 -0.080 0.000 1.203 98 Y CB -0.075 38.346 38.460 -0.067 0.000 0.980 98 Y HN 0.197 nan 8.280 nan 0.000 0.530 99 I N -1.500 119.193 120.570 0.205 0.000 2.353 99 I HA -0.305 3.865 4.170 0.000 0.000 0.248 99 I C 2.592 178.794 176.117 0.142 0.000 1.119 99 I CA 1.301 62.690 61.300 0.149 0.000 1.417 99 I CB -0.537 37.545 38.000 0.136 0.000 1.078 99 I HN 0.306 nan 8.210 nan 0.000 0.421 100 H N 1.121 120.214 119.070 0.039 0.000 2.352 100 H HA -0.146 4.410 4.556 0.000 0.000 0.299 100 H C 2.317 177.703 175.328 0.096 0.000 1.097 100 H CA 1.964 58.059 56.048 0.077 0.000 1.311 100 H CB 0.221 30.033 29.762 0.083 0.000 1.377 100 H HN 0.108 nan 8.280 nan 0.000 0.504 101 V N 1.348 121.177 119.914 -0.142 0.000 2.282 101 V HA -0.313 3.807 4.120 0.000 0.000 0.249 101 V C 3.041 179.153 176.094 0.031 0.000 1.057 101 V CA 1.867 63.947 62.300 -0.368 0.000 1.032 101 V CB -1.203 30.173 31.823 -0.746 0.000 0.645 101 V HN 0.600 nan 8.190 nan 0.000 0.447 102 A N -0.832 121.985 122.820 -0.005 0.000 1.898 102 A HA -0.197 4.123 4.320 0.000 0.000 0.216 102 A C 2.106 179.702 177.584 0.020 0.000 1.181 102 A CA 1.849 53.898 52.037 0.021 0.000 0.620 102 A CB -0.687 18.343 19.000 0.049 0.000 0.819 102 A HN 0.505 nan 8.150 nan 0.000 0.442 103 F N 0.868 120.762 119.950 -0.093 0.000 2.102 103 F HA -0.205 4.322 4.527 0.000 0.000 0.298 103 F C 2.518 178.210 175.800 -0.180 0.000 1.105 103 F CA 2.248 60.181 58.000 -0.111 0.000 1.239 103 F CB -0.419 38.490 39.000 -0.153 0.000 0.991 103 F HN 0.312 nan 8.300 nan 0.000 0.474 104 Q N -0.315 119.350 119.800 -0.224 0.000 2.124 104 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 104 Q C 2.493 178.057 176.000 -0.725 0.000 0.977 104 Q CA 1.214 56.789 55.803 -0.381 0.000 0.850 104 Q CB -0.781 28.011 28.738 0.091 0.000 0.901 104 Q HN 0.595 nan 8.270 nan 0.000 0.429 105 G N 0.999 109.292 108.800 -0.844 0.000 2.432 105 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 105 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 105 G C 1.598 176.051 174.900 -0.745 0.000 1.135 105 G CA 1.111 45.311 45.100 -1.500 0.000 0.767 105 G HN 0.474 nan 8.290 nan 0.000 0.550 106 S N 0.117 115.573 115.700 -0.406 0.000 2.423 106 S HA -0.016 4.454 4.470 0.000 0.000 0.231 106 S C 2.040 176.501 174.600 -0.232 0.000 1.014 106 S CA 0.856 58.918 58.200 -0.230 0.000 0.965 106 S CB -0.461 62.659 63.200 -0.133 0.000 0.785 106 S HN 0.157 nan 8.310 nan 0.000 0.495 107 F N 2.487 122.123 119.950 -0.523 0.000 2.163 107 F HA 0.275 4.802 4.527 -0.000 0.000 0.297 107 F C 2.853 178.436 175.800 -0.363 0.000 1.094 107 F CA 0.179 57.970 58.000 -0.349 0.000 1.290 107 F CB -1.101 37.716 39.000 -0.305 0.000 1.017 107 F HN 0.303 nan 8.300 nan 0.000 0.483 108 A N -0.953 121.563 122.820 -0.506 0.000 1.940 108 A HA -0.223 4.097 4.320 0.000 0.000 0.219 108 A C 2.351 179.639 177.584 -0.494 0.000 1.176 108 A CA 1.931 53.394 52.037 -0.958 0.000 0.631 108 A CB -1.503 16.899 19.000 -0.998 0.000 0.814 108 A HN 0.476 nan 8.150 nan 0.000 0.446 109 C N -1.399 117.704 119.300 -0.329 0.000 2.453 109 C HA -0.052 4.408 4.460 0.000 0.000 0.277 109 C C 2.463 177.427 174.990 -0.042 0.000 1.262 109 C CA 1.024 59.975 59.018 -0.112 0.000 1.718 109 C CB -1.209 26.558 27.740 0.045 0.000 2.031 109 C HN 0.702 nan 8.230 nan 0.000 0.480 110 I N 1.173 121.677 120.570 -0.110 0.000 2.439 110 I HA -0.122 4.048 4.170 0.000 0.000 0.251 110 I C 2.278 178.341 176.117 -0.090 0.000 1.139 110 I CA 1.776 62.998 61.300 -0.129 0.000 1.438 110 I CB -0.670 37.174 38.000 -0.261 0.000 1.085 110 I HN 0.265 nan 8.210 nan 0.000 0.427 111 T N -0.150 114.364 114.554 -0.067 0.000 2.708 111 T HA -0.135 4.215 4.350 0.000 0.000 0.266 111 T C 2.026 176.765 174.700 0.065 0.000 1.037 111 T CA 1.870 63.999 62.100 0.049 0.000 1.146 111 T CB -0.486 68.478 68.868 0.159 0.000 0.865 111 T HN 0.205 nan 8.240 nan 0.000 0.435 112 V N 1.388 121.325 119.914 0.039 0.000 2.427 112 V HA -0.070 4.050 4.120 0.000 0.000 0.248 112 V C 2.868 178.989 176.094 0.045 0.000 1.051 112 V CA 1.869 64.202 62.300 0.056 0.000 1.048 112 V CB -1.310 30.552 31.823 0.064 0.000 0.666 112 V HN 0.609 nan 8.190 nan 0.000 0.456 113 G N -0.286 108.542 108.800 0.046 0.000 2.450 113 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 113 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 113 G C 1.587 176.551 174.900 0.107 0.000 1.130 113 G CA 0.855 45.992 45.100 0.062 0.000 0.760 113 G HN 0.472 nan 8.290 nan 0.000 0.557 114 L N -0.102 121.176 121.223 0.093 0.000 2.083 114 L HA -0.030 4.310 4.340 0.000 0.000 0.209 114 L C 2.810 179.865 176.870 0.309 0.000 1.083 114 L CA 0.738 55.687 54.840 0.181 0.000 0.752 114 L CB -0.272 41.811 42.059 0.040 0.000 0.899 114 L HN 0.240 nan 8.230 nan 0.000 0.433 115 I N -1.413 119.264 120.570 0.179 0.000 2.235 115 I HA -0.202 3.968 4.170 0.000 0.000 0.241 115 I C 2.374 178.529 176.117 0.064 0.000 1.085 115 I CA 0.796 62.187 61.300 0.152 0.000 1.378 115 I CB -0.257 37.674 38.000 -0.115 0.000 1.076 115 I HN -0.045 nan 8.210 nan 0.000 0.415 116 V N 1.171 121.084 119.914 -0.001 0.000 2.427 116 V HA -0.157 3.963 4.120 0.000 0.000 0.248 116 V C 2.604 178.594 176.094 -0.172 0.000 1.051 116 V CA 2.050 64.314 62.300 -0.060 0.000 1.048 116 V CB -1.349 30.461 31.823 -0.022 0.000 0.666 116 V HN 0.570 nan 8.190 nan 0.000 0.456 117 G N -0.274 108.385 108.800 -0.234 0.000 2.442 117 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 117 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 117 G C 1.722 175.957 174.900 -1.108 0.000 1.141 117 G CA 1.124 45.936 45.100 -0.479 0.000 0.763 117 G HN 0.604 nan 8.290 nan 0.000 0.554 118 A N 0.105 122.158 122.820 -1.278 0.000 1.897 118 A HA 0.289 4.609 4.320 0.000 0.000 0.215 118 A C 2.299 179.689 177.584 -0.324 0.000 1.181 118 A CA 0.933 52.418 52.037 -0.920 0.000 0.620 118 A CB -0.220 18.441 19.000 -0.564 0.000 0.821 118 A HN 0.331 nan 8.150 nan 0.000 0.443 119 L N -1.091 120.021 121.223 -0.184 0.000 2.513 119 L HA 0.106 4.446 4.340 0.000 0.000 0.222 119 L C 2.794 179.595 176.870 -0.116 0.000 1.096 119 L CA 0.499 55.275 54.840 -0.107 0.000 0.857 119 L CB -0.249 41.755 42.059 -0.091 0.000 1.026 119 L HN 0.408 nan 8.230 nan 0.000 0.469 120 A N 1.492 124.234 122.820 -0.130 0.000 1.958 120 A HA -0.274 4.046 4.320 0.000 0.000 0.221 120 A C 2.116 179.665 177.584 -0.057 0.000 1.178 120 A CA 2.240 54.222 52.037 -0.090 0.000 0.642 120 A CB -0.501 18.450 19.000 -0.083 0.000 0.816 120 A HN 0.668 nan 8.150 nan 0.000 0.453 121 E N -0.000 120.163 120.200 -0.062 0.000 2.409 121 E HA -0.192 4.158 4.350 0.000 0.000 0.198 121 E C 1.646 178.225 176.600 -0.036 0.000 1.024 121 E CA 1.070 57.450 56.400 -0.035 0.000 0.861 121 E CB -0.243 29.439 29.700 -0.031 0.000 0.788 121 E HN 0.838 nan 8.360 nan 0.000 0.521 122 R N 0.533 121.001 120.500 -0.054 0.000 2.437 122 R HA 0.376 4.716 4.340 0.000 0.000 0.257 122 R C 0.396 176.659 176.300 -0.062 0.000 0.927 122 R CA -0.332 55.732 56.100 -0.060 0.000 1.078 122 R CB 0.106 30.361 30.300 -0.075 0.000 1.161 122 R HN 0.174 nan 8.270 nan 0.000 0.529 123 I N 1.517 122.055 120.570 -0.053 0.000 2.509 123 I HA 0.365 4.535 4.170 0.000 0.000 0.293 123 I C -0.412 175.704 176.117 -0.001 0.000 1.020 123 I CA -1.315 59.959 61.300 -0.043 0.000 1.088 123 I CB 1.835 39.799 38.000 -0.060 0.000 1.267 123 I HN 0.077 nan 8.210 nan 0.000 0.430 124 R N 4.773 125.286 120.500 0.022 0.000 2.679 124 R HA 0.048 4.388 4.340 0.000 0.000 0.268 124 R C 0.481 176.842 176.300 0.102 0.000 1.044 124 R CA 0.087 56.230 56.100 0.071 0.000 1.105 124 R CB 0.394 30.736 30.300 0.069 0.000 0.989 124 R HN 0.650 nan 8.270 nan 0.000 0.447 125 F N 5.002 124.964 119.950 0.020 0.000 2.046 125 F HA -0.123 4.404 4.527 0.000 0.000 0.297 125 F C -0.650 175.175 175.800 0.042 0.000 1.123 125 F CA 1.604 59.622 58.000 0.030 0.000 1.199 125 F CB -0.707 38.307 39.000 0.024 0.000 0.972 125 F HN 0.489 nan 8.300 nan 0.000 0.474 126 P HA -0.181 nan 4.420 nan 0.000 0.218 126 P C 1.313 178.676 177.300 0.105 0.000 1.148 126 P CA 2.232 65.454 63.100 0.204 0.000 0.822 126 P CB -0.442 31.352 31.700 0.158 0.000 0.784 127 A N -0.074 122.799 122.820 0.089 0.000 1.930 127 A HA -0.098 4.222 4.320 0.000 0.000 0.217 127 A C 2.474 180.114 177.584 0.092 0.000 1.175 127 A CA 1.498 53.585 52.037 0.084 0.000 0.627 127 A CB -1.623 17.421 19.000 0.074 0.000 0.815 127 A HN 0.129 nan 8.150 nan 0.000 0.443 128 V N 0.146 120.074 119.914 0.023 0.000 2.515 128 V HA -0.182 3.938 4.120 0.000 0.000 0.250 128 V C 2.369 178.491 176.094 0.045 0.000 1.058 128 V CA 1.875 64.192 62.300 0.027 0.000 1.064 128 V CB -0.441 31.319 31.823 -0.106 0.000 0.675 128 V HN 0.591 nan 8.190 nan 0.000 0.461 129 L N -0.681 120.526 121.223 -0.027 0.000 2.017 129 L HA -0.181 4.159 4.340 0.000 0.000 0.208 129 L C 2.373 179.275 176.870 0.053 0.000 1.073 129 L CA 1.998 56.841 54.840 0.004 0.000 0.745 129 L CB -0.569 41.505 42.059 0.026 0.000 0.894 129 L HN 0.265 nan 8.230 nan 0.000 0.432 130 I N -0.792 119.822 120.570 0.073 0.000 2.179 130 I HA -0.336 3.834 4.170 0.000 0.000 0.242 130 I C 2.519 178.672 176.117 0.061 0.000 1.088 130 I CA 1.447 62.787 61.300 0.066 0.000 1.357 130 I CB -0.344 37.699 38.000 0.072 0.000 1.051 130 I HN 0.134 nan 8.210 nan 0.000 0.409 131 F N 1.303 121.239 119.950 -0.024 0.000 2.095 131 F HA -0.236 4.291 4.527 0.000 0.000 0.298 131 F C 2.355 178.155 175.800 0.001 0.000 1.104 131 F CA 1.735 59.689 58.000 -0.077 0.000 1.232 131 F CB -0.469 38.440 39.000 -0.152 0.000 0.987 131 F HN -0.224 nan 8.300 nan 0.000 0.475 132 V N -0.235 119.668 119.914 -0.019 0.000 2.343 132 V HA -0.291 3.829 4.120 0.000 0.000 0.247 132 V C 2.419 178.487 176.094 -0.043 0.000 1.051 132 V CA 1.620 63.893 62.300 -0.045 0.000 1.036 132 V CB -0.709 31.155 31.823 0.068 0.000 0.654 132 V HN 0.312 nan 8.190 nan 0.000 0.451 133 V N -0.298 119.608 119.914 -0.014 0.000 2.287 133 V HA -0.241 3.879 4.120 0.000 0.000 0.248 133 V C 2.393 178.482 176.094 -0.009 0.000 1.053 133 V CA 2.061 64.377 62.300 0.027 0.000 1.027 133 V CB -0.497 31.351 31.823 0.042 0.000 0.646 133 V HN 0.413 nan 8.190 nan 0.000 0.447 134 V N -1.538 118.322 119.914 -0.091 0.000 2.307 134 V HA -0.258 3.862 4.120 0.000 0.000 0.245 134 V C 1.957 177.972 176.094 -0.132 0.000 1.045 134 V CA 2.367 64.600 62.300 -0.112 0.000 1.024 134 V CB -0.644 31.099 31.823 -0.134 0.000 0.651 134 V HN 0.776 nan 8.190 nan 0.000 0.449 135 W N 0.057 121.045 121.300 -0.521 0.000 2.453 135 W HA -0.057 4.603 4.660 -0.000 0.000 0.289 135 W C 2.109 178.549 176.519 -0.132 0.000 1.215 135 W CA 1.209 58.290 57.345 -0.440 0.000 1.297 135 W CB -0.088 28.796 29.460 -0.959 0.000 1.113 135 W HN 0.194 nan 8.180 nan 0.000 0.551 136 L N 0.447 121.718 121.223 0.081 0.000 2.042 136 L HA -0.191 4.149 4.340 0.000 0.000 0.210 136 L C 2.254 179.158 176.870 0.056 0.000 1.076 136 L CA 2.698 57.588 54.840 0.084 0.000 0.749 136 L CB -1.154 40.987 42.059 0.138 0.000 0.893 136 L HN -0.118 nan 8.230 nan 0.000 0.432 137 T N -0.581 114.013 114.554 0.068 0.000 2.812 137 T HA -0.043 4.307 4.350 0.000 0.000 0.264 137 T C 1.719 176.428 174.700 0.014 0.000 1.042 137 T CA 1.704 63.877 62.100 0.121 0.000 1.140 137 T CB -0.103 68.819 68.868 0.091 0.000 0.870 137 T HN 0.282 nan 8.240 nan 0.000 0.445 138 L N -0.337 120.851 121.223 -0.058 0.000 2.638 138 L HA 0.321 4.661 4.340 0.000 0.000 0.232 138 L C 2.300 179.221 176.870 0.084 0.000 1.099 138 L CA 0.235 55.070 54.840 -0.009 0.000 0.883 138 L CB 0.128 42.152 42.059 -0.058 0.000 1.136 138 L HN 0.186 nan 8.230 nan 0.000 0.492 139 S N -1.166 114.384 115.700 -0.249 0.000 2.811 139 S HA -0.022 4.448 4.470 0.000 0.000 0.237 139 S C 1.771 176.051 174.600 -0.533 0.000 1.038 139 S CA -0.032 57.955 58.200 -0.354 0.000 0.881 139 S CB -0.123 62.445 63.200 -1.054 0.000 0.815 139 S HN 0.333 nan 8.310 nan 0.000 0.582 140 Y N 2.288 122.076 120.300 -0.853 0.000 2.114 140 Y HA -0.042 4.508 4.550 0.000 0.000 0.284 140 Y C 1.973 177.762 175.900 -0.185 0.000 1.143 140 Y CA 2.083 59.877 58.100 -0.510 0.000 1.135 140 Y CB -0.347 37.907 38.460 -0.343 0.000 0.980 140 Y HN 0.283 nan 8.280 nan 0.000 0.499 141 I N 0.087 120.672 120.570 0.025 0.000 2.142 141 I HA -0.244 3.926 4.170 0.000 0.000 0.240 141 I C -0.742 175.348 176.117 -0.044 0.000 1.078 141 I CA 1.343 62.701 61.300 0.097 0.000 1.343 141 I CB -1.436 36.678 38.000 0.190 0.000 1.046 141 I HN 0.220 nan 8.210 nan 0.000 0.405 142 P HA -0.137 nan 4.420 nan 0.000 0.216 142 P C 1.830 178.913 177.300 -0.361 0.000 1.153 142 P CA 1.545 64.577 63.100 -0.113 0.000 0.848 142 P CB 0.016 31.685 31.700 -0.052 0.000 0.787 143 I N -0.741 119.496 120.570 -0.555 0.000 2.252 143 I HA -0.221 3.950 4.170 0.000 0.000 0.245 143 I C 2.315 178.100 176.117 -0.553 0.000 1.102 143 I CA 1.320 62.255 61.300 -0.608 0.000 1.385 143 I CB -0.793 36.858 38.000 -0.581 0.000 1.064 143 I HN -0.095 nan 8.210 nan 0.000 0.414 144 A N -0.264 122.203 122.820 -0.588 0.000 1.940 144 A HA -0.207 4.113 4.320 0.000 0.000 0.219 144 A C 1.612 179.079 177.584 -0.195 0.000 1.176 144 A CA 1.066 52.821 52.037 -0.470 0.000 0.631 144 A CB -0.926 17.882 19.000 -0.319 0.000 0.814 144 A HN 0.460 nan 8.150 nan 0.000 0.446 148 W N 1.213 122.414 121.300 -0.165 0.000 2.871 148 W HA 0.623 5.283 4.660 -0.000 0.000 0.340 148 W C 1.614 178.055 176.519 -0.130 0.000 1.058 148 W CA 0.534 57.803 57.345 -0.126 0.000 1.633 148 W CB 0.284 29.673 29.460 -0.119 0.000 1.067 148 W HN 0.378 nan 8.180 nan 0.000 0.554 149 G N -0.435 108.327 108.800 -0.063 0.000 3.605 149 G HA2 0.383 4.343 3.960 0.000 0.000 0.277 149 G HA3 0.383 4.343 3.960 0.000 0.000 0.277 149 G C 1.167 175.764 174.900 -0.506 0.000 1.093 149 G CA 0.218 45.174 45.100 -0.240 0.000 0.821 149 G HN 0.256 nan 8.290 nan 0.000 0.532 150 G N -0.997 107.616 108.800 -0.312 0.000 2.143 150 G HA2 -0.049 3.911 3.960 0.000 0.000 0.249 150 G HA3 -0.049 3.911 3.960 0.000 0.000 0.249 150 G C 0.846 175.545 174.900 -0.334 0.000 0.981 150 G CA 0.282 45.236 45.100 -0.244 0.000 0.665 150 G HN 0.993 nan 8.290 nan 0.000 0.528 151 G N -0.879 107.626 108.800 -0.491 0.000 2.531 151 G HA2 0.549 4.509 3.960 0.000 0.000 0.253 151 G HA3 0.549 4.509 3.960 0.000 0.000 0.253 151 G C 1.310 175.995 174.900 -0.357 0.000 1.439 151 G CA 0.176 45.023 45.100 -0.422 0.000 1.056 151 G HN 0.883 nan 8.290 nan 0.000 0.555 152 L N -0.624 120.321 121.223 -0.462 0.000 2.042 152 L HA -0.033 4.307 4.340 0.000 0.000 0.210 152 L C 2.675 179.234 176.870 -0.519 0.000 1.076 152 L CA 1.707 56.232 54.840 -0.525 0.000 0.749 152 L CB -0.435 41.261 42.059 -0.606 0.000 0.893 152 L HN 0.462 nan 8.230 nan 0.000 0.432 153 L N -1.227 119.765 121.223 -0.384 0.000 2.095 153 L HA -0.035 4.305 4.340 0.000 0.000 0.204 153 L C 2.664 179.451 176.870 -0.139 0.000 1.080 153 L CA 0.849 55.520 54.840 -0.281 0.000 0.759 153 L CB -0.933 40.986 42.059 -0.233 0.000 0.914 153 L HN 0.317 nan 8.230 nan 0.000 0.439 154 A N 0.527 123.262 122.820 -0.142 0.000 1.940 154 A HA -0.247 4.073 4.320 0.000 0.000 0.219 154 A C 2.547 180.130 177.584 -0.001 0.000 1.176 154 A CA 2.158 54.165 52.037 -0.051 0.000 0.631 154 A CB -0.713 18.248 19.000 -0.066 0.000 0.814 154 A HN 0.522 nan 8.150 nan 0.000 0.446 155 S N -0.864 114.828 115.700 -0.013 0.000 2.402 155 S HA -0.181 4.289 4.470 0.000 0.000 0.229 155 S C 1.632 176.385 174.600 0.255 0.000 1.021 155 S CA 1.414 59.667 58.200 0.088 0.000 0.974 155 S CB -0.684 62.563 63.200 0.078 0.000 0.800 155 S HN 0.653 nan 8.310 nan 0.000 0.484 156 H N 1.363 120.413 119.070 -0.034 0.000 2.551 156 H HA 0.387 4.943 4.556 0.000 0.000 0.266 156 H C 1.753 177.098 175.328 0.028 0.000 0.977 156 H CA -0.275 55.775 56.048 0.003 0.000 1.163 156 H CB -0.429 29.325 29.762 -0.013 0.000 1.381 156 H HN 0.609 nan 8.280 nan 0.000 0.581 157 G N -0.130 108.751 108.800 0.135 0.000 2.132 157 G HA2 -0.215 3.745 3.960 0.000 0.000 0.228 157 G HA3 -0.215 3.745 3.960 0.000 0.000 0.228 157 G C 0.489 175.434 174.900 0.074 0.000 1.000 157 G CA 0.122 45.281 45.100 0.098 0.000 0.693 157 G HN 0.718 nan 8.290 nan 0.000 0.515 158 A N -0.105 122.751 122.820 0.059 0.000 2.540 158 A HA 0.545 4.865 4.320 0.000 0.000 0.239 158 A C 0.706 178.327 177.584 0.062 0.000 1.061 158 A CA 0.421 52.482 52.037 0.041 0.000 0.758 158 A CB 0.230 19.234 19.000 0.008 0.000 0.991 158 A HN 0.975 nan 8.150 nan 0.000 0.502 159 L N 2.670 123.930 121.223 0.061 0.000 2.264 159 L HA 0.443 4.783 4.340 0.000 0.000 0.289 159 L C -0.325 176.706 176.870 0.268 0.000 1.044 159 L CA -0.238 54.636 54.840 0.057 0.000 0.807 159 L CB 1.191 43.157 42.059 -0.155 0.000 1.192 159 L HN 0.753 nan 8.230 nan 0.000 0.425 160 D N 2.288 122.970 120.400 0.471 0.000 2.445 160 D HA 0.053 4.693 4.640 0.000 0.000 0.236 160 D C 0.156 176.878 176.300 0.704 0.000 1.315 160 D CA -0.445 53.859 54.000 0.507 0.000 0.924 160 D CB 0.628 41.593 40.800 0.275 0.000 1.447 160 D HN 0.292 nan 8.370 nan 0.000 0.532 161 F N 3.041 123.339 119.950 0.580 0.000 2.102 161 F HA 0.035 4.562 4.527 0.000 0.000 0.298 161 F C 1.726 177.729 175.800 0.339 0.000 1.105 161 F CA 2.112 60.305 58.000 0.322 0.000 1.239 161 F CB 0.448 39.442 39.000 -0.011 0.000 0.991 161 F HN 0.421 nan 8.300 nan 0.000 0.474 162 A N -1.530 121.659 122.820 0.615 0.000 2.585 162 A HA 0.562 4.882 4.320 0.000 0.000 0.266 162 A C 0.926 179.017 177.584 0.845 0.000 1.178 162 A CA 0.420 52.773 52.037 0.526 0.000 0.966 162 A CB -0.222 19.146 19.000 0.615 0.000 1.170 162 A HN 0.870 nan 8.150 nan 0.000 0.558 163 G N -1.084 108.247 108.800 0.885 0.000 2.247 163 G HA2 0.055 4.015 3.960 0.000 0.000 0.111 163 G HA3 0.055 4.015 3.960 0.000 0.000 0.111 163 G C 1.004 176.203 174.900 0.499 0.000 1.045 163 G CA 0.237 45.718 45.100 0.635 0.000 0.715 163 G HN 1.101 nan 8.290 nan 0.000 0.485 164 G N 0.210 109.326 108.800 0.526 0.000 2.450 164 G HA2 0.006 3.966 3.960 0.000 0.000 0.220 164 G HA3 0.006 3.966 3.960 0.000 0.000 0.220 164 G C 1.806 176.905 174.900 0.332 0.000 1.130 164 G CA 2.606 48.005 45.100 0.497 0.000 0.760 164 G HN 1.385 nan 8.290 nan 0.000 0.557 165 T N -1.393 113.265 114.554 0.173 0.000 2.904 165 T HA 0.032 4.382 4.350 0.000 0.000 0.243 165 T C 2.309 177.012 174.700 0.006 0.000 1.024 165 T CA 1.040 63.184 62.100 0.073 0.000 1.158 165 T CB -0.521 68.324 68.868 -0.039 0.000 0.867 165 T HN -0.025 nan 8.240 nan 0.000 0.429 166 V N 1.600 121.400 119.914 -0.190 0.000 2.392 166 V HA -0.097 4.023 4.120 0.000 0.000 0.249 166 V C 2.714 178.833 176.094 0.042 0.000 1.059 166 V CA 1.408 63.521 62.300 -0.311 0.000 1.051 166 V CB -0.677 30.652 31.823 -0.822 0.000 0.658 166 V HN 0.397 nan 8.190 nan 0.000 0.455 167 V N -1.435 118.566 119.914 0.144 0.000 2.602 167 V HA -0.001 4.119 4.120 0.000 0.000 0.235 167 V C 2.289 178.451 176.094 0.112 0.000 1.087 167 V CA 1.101 63.499 62.300 0.163 0.000 1.117 167 V CB -0.607 31.238 31.823 0.036 0.000 0.820 167 V HN 0.481 nan 8.190 nan 0.000 0.490 168 H N -0.158 119.150 119.070 0.398 0.000 2.317 168 H HA 0.142 4.698 4.556 0.000 0.000 0.304 168 H C 2.326 177.871 175.328 0.362 0.000 1.067 168 H CA 1.657 57.960 56.048 0.425 0.000 1.352 168 H CB -0.023 30.011 29.762 0.453 0.000 1.398 168 H HN 0.297 nan 8.280 nan 0.000 0.510 169 I N 1.138 121.958 120.570 0.417 0.000 2.315 169 I HA -0.241 3.929 4.170 0.000 0.000 0.248 169 I C 2.475 178.772 176.117 0.301 0.000 1.117 169 I CA 0.817 62.310 61.300 0.323 0.000 1.404 169 I CB -0.220 37.932 38.000 0.252 0.000 1.071 169 I HN 0.143 nan 8.210 nan 0.000 0.419 170 N N 1.518 120.405 118.700 0.311 0.000 2.036 170 N HA -0.193 4.547 4.740 0.000 0.000 0.195 170 N C 1.826 177.642 175.510 0.511 0.000 1.037 170 N CA 2.144 55.448 53.050 0.424 0.000 0.855 170 N CB -0.170 38.556 38.487 0.397 0.000 1.033 170 N HN 0.357 nan 8.380 nan 0.000 0.423 171 A N 0.181 123.233 122.820 0.387 0.000 1.929 171 A HA 0.161 4.481 4.320 0.000 0.000 0.216 171 A C 2.355 179.915 177.584 -0.040 0.000 1.176 171 A CA 1.802 53.911 52.037 0.119 0.000 0.628 171 A CB -1.009 18.084 19.000 0.155 0.000 0.816 171 A HN 0.412 nan 8.150 nan 0.000 0.444 172 A N 0.105 123.018 122.820 0.154 0.000 1.902 172 A HA -0.084 4.236 4.320 0.000 0.000 0.217 172 A C 1.982 179.516 177.584 -0.083 0.000 1.181 172 A CA 1.702 53.813 52.037 0.125 0.000 0.623 172 A CB -0.463 18.751 19.000 0.357 0.000 0.818 172 A HN 0.401 nan 8.150 nan 0.000 0.443 173 I N -0.142 120.466 120.570 0.062 0.000 2.286 173 I HA -0.174 3.996 4.170 0.000 0.000 0.245 173 I C 2.932 179.053 176.117 0.007 0.000 1.104 173 I CA 1.287 62.632 61.300 0.075 0.000 1.397 173 I CB -1.674 36.433 38.000 0.179 0.000 1.072 173 I HN 0.353 nan 8.210 nan 0.000 0.417 174 A N 1.009 123.817 122.820 -0.020 0.000 1.940 174 A HA -0.112 4.208 4.320 0.000 0.000 0.219 174 A C 2.491 179.905 177.584 -0.283 0.000 1.176 174 A CA 1.931 53.898 52.037 -0.117 0.000 0.631 174 A CB -1.287 17.365 19.000 -0.581 0.000 0.814 174 A HN 0.432 nan 8.150 nan 0.000 0.446 175 G N -0.469 107.870 108.800 -0.767 0.000 2.403 175 G HA2 -0.073 3.887 3.960 0.000 0.000 0.216 175 G HA3 -0.073 3.887 3.960 0.000 0.000 0.216 175 G C 1.531 176.031 174.900 -0.667 0.000 1.154 175 G CA 0.897 45.189 45.100 -1.347 0.000 0.784 175 G HN 0.427 nan 8.290 nan 0.000 0.538 176 L N 0.329 121.296 121.223 -0.426 0.000 2.141 176 L HA -0.037 4.303 4.340 0.000 0.000 0.209 176 L C 2.937 179.818 176.870 0.019 0.000 1.094 176 L CA 0.198 55.015 54.840 -0.040 0.000 0.763 176 L CB -0.307 41.785 42.059 0.054 0.000 0.908 176 L HN 0.069 nan 8.230 nan 0.000 0.437 177 V N 0.194 120.127 119.914 0.032 0.000 2.343 177 V HA -0.217 3.903 4.120 0.000 0.000 0.247 177 V C 2.634 178.710 176.094 -0.030 0.000 1.051 177 V CA 2.020 64.404 62.300 0.141 0.000 1.036 177 V CB -1.248 30.760 31.823 0.309 0.000 0.654 177 V HN 0.569 nan 8.190 nan 0.000 0.451 178 G N -0.290 108.338 108.800 -0.287 0.000 2.440 178 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 178 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 178 G C 1.768 176.429 174.900 -0.398 0.000 1.154 178 G CA 1.092 45.669 45.100 -0.871 0.000 0.767 178 G HN 0.617 nan 8.290 nan 0.000 0.552 179 A N -0.247 122.491 122.820 -0.136 0.000 1.933 179 A HA -0.042 4.278 4.320 0.000 0.000 0.218 179 A C 2.218 179.796 177.584 -0.010 0.000 1.175 179 A CA 1.741 53.763 52.037 -0.025 0.000 0.628 179 A CB -0.583 18.480 19.000 0.104 0.000 0.814 179 A HN 0.521 nan 8.150 nan 0.000 0.444 180 Y N 0.023 120.270 120.300 -0.088 0.000 2.263 180 Y HA 0.032 4.582 4.550 0.000 0.000 0.292 180 Y C 1.759 177.618 175.900 -0.068 0.000 1.130 180 Y CA 1.527 59.599 58.100 -0.046 0.000 1.179 180 Y CB -0.080 38.378 38.460 -0.004 0.000 0.998 180 Y HN 0.189 nan 8.280 nan 0.000 0.532 181 L N -0.053 121.075 121.223 -0.159 0.000 2.375 181 L HA 0.111 4.451 4.340 0.000 0.000 0.215 181 L C -0.090 176.622 176.870 -0.265 0.000 1.108 181 L CA 0.286 54.986 54.840 -0.233 0.000 0.830 181 L CB 0.127 42.079 42.059 -0.179 0.000 0.959 181 L HN 0.026 nan 8.230 nan 0.000 0.457 182 I N 0.067 120.475 120.570 -0.270 0.000 2.382 182 I HA 0.314 4.484 4.170 0.000 0.000 0.285 182 I C 0.655 176.673 176.117 -0.164 0.000 1.007 182 I CA -0.490 60.677 61.300 -0.222 0.000 1.142 182 I CB 1.370 39.216 38.000 -0.257 0.000 1.289 182 I HN -0.128 nan 8.210 nan 0.000 0.453 183 G N 4.748 113.464 108.800 -0.139 0.000 2.599 183 G HA2 0.427 4.387 3.960 0.000 0.000 0.264 183 G HA3 0.427 4.387 3.960 0.000 0.000 0.264 183 G C -0.753 174.094 174.900 -0.087 0.000 1.200 183 G CA -0.395 44.639 45.100 -0.110 0.000 0.896 183 G HN 0.617 nan 8.290 nan 0.000 0.536 184 K N -0.236 120.121 120.400 -0.071 0.000 2.581 184 K HA 0.319 4.639 4.320 0.000 0.000 0.249 184 K C -0.280 176.286 176.600 -0.057 0.000 0.966 184 K CA -0.816 55.435 56.287 -0.060 0.000 0.811 184 K CB 1.534 34.004 32.500 -0.050 0.000 1.223 184 K HN 0.632 nan 8.250 nan 0.000 0.438 185 R N 3.356 123.818 120.500 -0.063 0.000 2.316 185 R HA 0.214 4.554 4.340 0.000 0.000 0.314 185 R C -1.101 175.155 176.300 -0.074 0.000 1.069 185 R CA -0.401 55.655 56.100 -0.073 0.000 0.959 185 R CB 0.824 31.067 30.300 -0.095 0.000 0.987 185 R HN 0.229 nan 8.270 nan 0.000 0.446 186 V N 5.226 125.103 119.914 -0.061 0.000 2.385 186 V HA 0.292 4.412 4.120 0.000 0.000 0.269 186 V C 1.135 177.186 176.094 -0.071 0.000 1.043 186 V CA -0.252 62.018 62.300 -0.050 0.000 0.906 186 V CB 1.007 32.815 31.823 -0.025 0.000 0.995 186 V HN 0.988 nan 8.190 nan 0.000 0.467 187 G N 3.909 112.654 108.800 -0.092 0.000 2.554 187 G HA2 0.278 4.238 3.960 0.000 0.000 0.238 187 G HA3 0.278 4.238 3.960 0.000 0.000 0.238 187 G C -0.332 174.569 174.900 0.001 0.000 1.259 187 G CA -0.370 44.637 45.100 -0.155 0.000 0.843 187 G HN 0.421 nan 8.290 nan 0.000 0.582 188 F N 0.754 120.690 119.950 -0.023 0.000 2.578 188 F HA 0.370 4.897 4.527 0.000 0.000 0.381 188 F C 1.593 177.379 175.800 -0.024 0.000 1.069 188 F CA 0.471 58.457 58.000 -0.024 0.000 1.231 188 F CB 0.602 39.590 39.000 -0.020 0.000 1.086 188 F HN 0.863 nan 8.300 nan 0.000 0.564 189 G N 2.533 111.433 108.800 0.166 0.000 2.195 189 G HA2 -0.269 3.691 3.960 0.000 0.000 0.246 189 G HA3 -0.269 3.691 3.960 0.000 0.000 0.246 189 G C 0.828 175.755 174.900 0.045 0.000 0.984 189 G CA -0.217 44.929 45.100 0.077 0.000 0.633 189 G HN 0.478 nan 8.290 nan 0.000 0.525 190 K N 0.283 120.709 120.400 0.042 0.000 2.593 190 K HA 0.322 4.642 4.320 0.000 0.000 0.208 190 K C 0.987 177.571 176.600 -0.027 0.000 1.051 190 K CA 0.056 56.349 56.287 0.009 0.000 1.111 190 K CB 0.872 33.374 32.500 0.005 0.000 0.849 190 K HN 0.375 nan 8.250 nan 0.000 0.479 191 E N 0.697 120.879 120.200 -0.029 0.000 2.435 191 E HA 0.029 4.379 4.350 0.000 0.000 0.195 191 E C 0.277 176.789 176.600 -0.148 0.000 1.029 191 E CA 0.154 56.512 56.400 -0.070 0.000 0.865 191 E CB 0.406 30.083 29.700 -0.039 0.000 0.833 191 E HN 0.277 nan 8.360 nan 0.000 0.510 192 A N -0.068 122.670 122.820 -0.137 0.000 2.454 192 A HA 0.601 4.921 4.320 0.000 0.000 0.302 192 A C -0.924 176.575 177.584 -0.142 0.000 1.079 192 A CA -0.806 51.111 52.037 -0.199 0.000 0.731 192 A CB 0.618 19.566 19.000 -0.087 0.000 1.299 192 A HN 0.087 nan 8.150 nan 0.000 0.413 193 F N 1.183 121.124 119.950 -0.015 0.000 2.563 193 F HA 0.141 4.668 4.527 0.000 0.000 0.363 193 F C 1.231 177.020 175.800 -0.018 0.000 1.123 193 F CA 0.556 58.540 58.000 -0.026 0.000 1.307 193 F CB 0.750 39.721 39.000 -0.049 0.000 1.115 193 F HN 0.539 nan 8.300 nan 0.000 0.592 194 K N 5.316 125.837 120.400 0.202 0.000 2.349 194 K HA 0.139 4.459 4.320 0.000 0.000 0.289 194 K C -1.932 174.728 176.600 0.100 0.000 1.064 194 K CA -1.524 54.835 56.287 0.119 0.000 0.947 194 K CB 1.020 33.583 32.500 0.104 0.000 1.007 194 K HN 0.178 nan 8.250 nan 0.000 0.478 195 P HA -0.213 nan 4.420 nan 0.000 0.216 195 P C 0.797 178.113 177.300 0.026 0.000 1.150 195 P CA 1.058 64.181 63.100 0.038 0.000 0.837 195 P CB 0.032 31.750 31.700 0.030 0.000 0.786 196 H N 0.129 119.192 119.070 -0.011 0.000 2.426 196 H HA -0.093 4.463 4.556 0.000 0.000 0.298 196 H C 1.007 176.321 175.328 -0.023 0.000 1.107 196 H CA 1.608 57.646 56.048 -0.017 0.000 1.298 196 H CB -0.348 29.409 29.762 -0.009 0.000 1.377 196 H HN 0.224 nan 8.280 nan 0.000 0.519 197 N N -0.187 118.527 118.700 0.023 0.000 2.353 197 N HA 0.053 4.793 4.740 0.000 0.000 0.185 197 N C 1.797 177.247 175.510 -0.099 0.000 1.098 197 N CA -0.182 52.855 53.050 -0.022 0.000 0.872 197 N CB 0.423 38.927 38.487 0.029 0.000 0.970 197 N HN 0.234 nan 8.380 nan 0.000 0.467 198 L N 0.794 121.951 121.223 -0.110 0.000 2.201 198 L HA 0.020 4.360 4.340 0.000 0.000 0.212 198 L C -1.451 175.356 176.870 -0.105 0.000 1.105 198 L CA 0.423 55.181 54.840 -0.138 0.000 0.775 198 L CB -1.384 40.603 42.059 -0.120 0.000 0.913 198 L HN 0.015 nan 8.230 nan 0.000 0.440 202 F N 3.035 122.885 119.950 -0.167 0.000 2.095 202 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 202 F C 2.528 178.287 175.800 -0.067 0.000 1.104 202 F CA 3.056 60.988 58.000 -0.113 0.000 1.232 202 F CB -0.387 38.543 39.000 -0.116 0.000 0.987 202 F HN 0.344 nan 8.300 nan 0.000 0.475 203 T N -2.072 112.406 114.554 -0.126 0.000 2.777 203 T HA -0.045 4.305 4.350 0.000 0.000 0.266 203 T C 2.310 176.867 174.700 -0.238 0.000 1.040 203 T CA 1.141 63.106 62.100 -0.225 0.000 1.141 203 T CB -1.599 67.253 68.868 -0.027 0.000 0.868 203 T HN 0.337 nan 8.240 nan 0.000 0.444 204 G N 1.150 109.872 108.800 -0.129 0.000 2.418 204 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 204 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 204 G C 1.730 176.575 174.900 -0.091 0.000 1.158 204 G CA 1.335 46.389 45.100 -0.076 0.000 0.771 204 G HN 0.532 nan 8.290 nan 0.000 0.545 205 T N 1.664 116.199 114.554 -0.031 0.000 2.720 205 T HA -0.026 4.324 4.350 0.000 0.000 0.268 205 T C 2.805 177.372 174.700 -0.222 0.000 1.037 205 T CA 1.561 63.596 62.100 -0.109 0.000 1.144 205 T CB -0.355 68.448 68.868 -0.108 0.000 0.864 205 T HN 0.379 nan 8.240 nan 0.000 0.444 206 A N 1.005 123.587 122.820 -0.396 0.000 1.902 206 A HA -0.002 4.318 4.320 0.000 0.000 0.217 206 A C 2.291 179.806 177.584 -0.115 0.000 1.181 206 A CA 1.183 53.036 52.037 -0.306 0.000 0.623 206 A CB -0.720 17.971 19.000 -0.515 0.000 0.818 206 A HN 0.524 nan 8.150 nan 0.000 0.443 207 I N -0.484 119.943 120.570 -0.239 0.000 2.252 207 I HA -0.229 3.941 4.170 0.000 0.000 0.245 207 I C 2.347 178.283 176.117 -0.302 0.000 1.102 207 I CA 0.908 61.972 61.300 -0.392 0.000 1.385 207 I CB -0.309 37.280 38.000 -0.685 0.000 1.064 207 I HN 0.288 nan 8.210 nan 0.000 0.414 208 L N -0.386 120.705 121.223 -0.220 0.000 2.042 208 L HA -0.284 4.056 4.340 0.000 0.000 0.210 208 L C 2.704 179.639 176.870 0.110 0.000 1.076 208 L CA 1.650 56.423 54.840 -0.112 0.000 0.749 208 L CB -0.806 41.183 42.059 -0.117 0.000 0.893 208 L HN 0.263 nan 8.230 nan 0.000 0.432 209 Y N 0.504 120.774 120.300 -0.050 0.000 2.145 209 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 209 Y C 2.444 178.386 175.900 0.069 0.000 1.145 209 Y CA 1.475 59.541 58.100 -0.055 0.000 1.148 209 Y CB -0.059 38.342 38.460 -0.098 0.000 0.981 209 Y HN -0.026 nan 8.280 nan 0.000 0.507 210 I N 0.238 120.864 120.570 0.094 0.000 2.315 210 I HA -0.175 3.995 4.170 0.000 0.000 0.248 210 I C 2.625 178.885 176.117 0.239 0.000 1.117 210 I CA 1.547 62.964 61.300 0.196 0.000 1.404 210 I CB -2.018 36.146 38.000 0.274 0.000 1.071 210 I HN 0.415 nan 8.210 nan 0.000 0.419 211 G N -0.562 108.330 108.800 0.154 0.000 2.443 211 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 211 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 211 G C 1.515 176.462 174.900 0.079 0.000 1.131 211 G CA -0.105 45.086 45.100 0.151 0.000 0.775 211 G HN 0.372 nan 8.290 nan 0.000 0.547 212 W N 0.643 121.796 121.300 -0.245 0.000 2.525 212 W HA 0.086 4.746 4.660 0.000 0.000 0.259 212 W C 1.565 177.877 176.519 -0.345 0.000 1.253 212 W CA 0.115 57.253 57.345 -0.345 0.000 1.262 212 W CB -0.312 28.820 29.460 -0.546 0.000 1.122 212 W HN 0.256 nan 8.180 nan 0.000 0.607 213 F N 0.224 120.187 119.950 0.021 0.000 2.186 213 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 213 F C 2.659 178.539 175.800 0.133 0.000 1.090 213 F CA 1.818 59.756 58.000 -0.102 0.000 1.307 213 F CB -1.248 37.535 39.000 -0.363 0.000 1.019 213 F HN -0.175 nan 8.300 nan 0.000 0.489 214 G N -0.937 108.045 108.800 0.303 0.000 2.408 214 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 214 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 214 G C 1.650 176.793 174.900 0.405 0.000 1.150 214 G CA 0.524 45.782 45.100 0.264 0.000 0.776 214 G HN 0.358 nan 8.290 nan 0.000 0.542 215 F N 1.614 121.639 119.950 0.125 0.000 2.084 215 F HA -0.051 4.476 4.527 -0.000 0.000 0.296 215 F C 2.529 178.567 175.800 0.396 0.000 1.111 215 F CA 1.773 59.813 58.000 0.068 0.000 1.224 215 F CB 0.069 38.772 39.000 -0.494 0.000 0.991 215 F HN 0.045 nan 8.300 nan 0.000 0.471 216 N N 0.434 119.539 118.700 0.675 0.000 2.148 216 N HA -0.019 4.721 4.740 0.000 0.000 0.186 216 N C 1.872 177.707 175.510 0.540 0.000 1.031 216 N CA 1.517 54.945 53.050 0.630 0.000 0.848 216 N CB -0.917 37.864 38.487 0.490 0.000 1.005 216 N HN 0.352 nan 8.380 nan 0.000 0.427 217 A N 0.363 123.467 122.820 0.474 0.000 1.930 217 A HA 0.064 4.384 4.320 0.000 0.000 0.217 217 A C 2.251 180.136 177.584 0.503 0.000 1.175 217 A CA 1.754 54.115 52.037 0.540 0.000 0.627 217 A CB -1.137 18.291 19.000 0.714 0.000 0.815 217 A HN 0.351 nan 8.150 nan 0.000 0.443 218 G N -0.807 108.174 108.800 0.301 0.000 2.448 218 G HA2 -0.110 3.850 3.960 0.000 0.000 0.219 218 G HA3 -0.110 3.850 3.960 0.000 0.000 0.219 218 G C 1.599 176.419 174.900 -0.133 0.000 1.127 218 G CA 1.150 46.194 45.100 -0.092 0.000 0.766 218 G HN 0.470 nan 8.290 nan 0.000 0.552 219 S N 0.678 116.484 115.700 0.176 0.000 2.507 219 S HA 0.100 4.570 4.470 0.000 0.000 0.235 219 S C 2.563 176.977 174.600 -0.309 0.000 0.988 219 S CA 0.724 58.834 58.200 -0.149 0.000 0.944 219 S CB -0.103 62.956 63.200 -0.236 0.000 0.762 219 S HN 0.583 nan 8.310 nan 0.000 0.526 220 A N 0.801 123.691 122.820 0.117 0.000 2.015 220 A HA 0.332 4.652 4.320 0.000 0.000 0.219 220 A C 1.956 179.548 177.584 0.013 0.000 1.163 220 A CA 1.205 53.355 52.037 0.188 0.000 0.646 220 A CB -0.943 18.257 19.000 0.332 0.000 0.806 220 A HN 0.916 nan 8.150 nan 0.000 0.448 221 G N -2.306 106.456 108.800 -0.063 0.000 2.162 221 G HA2 -0.132 3.828 3.960 0.000 0.000 0.260 221 G HA3 -0.132 3.828 3.960 0.000 0.000 0.260 221 G C 0.423 175.322 174.900 -0.002 0.000 0.976 221 G CA 1.269 46.301 45.100 -0.113 0.000 0.655 221 G HN 1.793 nan 8.290 nan 0.000 0.533 222 T N -2.157 112.461 114.554 0.106 0.000 2.893 222 T HA 0.669 5.019 4.350 0.000 0.000 0.337 222 T C -0.289 174.388 174.700 -0.039 0.000 1.587 222 T CA 0.605 62.743 62.100 0.063 0.000 1.066 222 T CB 0.971 69.836 68.868 -0.005 0.000 1.414 222 T HN 1.753 nan 8.240 nan 0.000 0.488 223 A N 3.879 126.535 122.820 -0.273 0.000 3.091 223 A HA 0.487 4.807 4.320 0.000 0.000 0.264 223 A C 0.598 177.978 177.584 -0.340 0.000 1.673 223 A CA -0.292 51.322 52.037 -0.704 0.000 1.362 223 A CB -1.458 17.062 19.000 -0.800 0.000 1.137 223 A HN 0.851 nan 8.150 nan 0.000 0.617 224 N N -0.641 117.935 118.700 -0.207 0.000 3.124 224 N HA 0.283 5.023 4.740 0.000 0.000 0.350 224 N C 0.843 176.301 175.510 -0.087 0.000 1.411 224 N CA -0.219 52.762 53.050 -0.115 0.000 0.729 224 N CB 0.335 38.788 38.487 -0.056 0.000 1.379 224 N HN 0.125 nan 8.380 nan 0.000 0.599 225 E N 0.224 120.395 120.200 -0.048 0.000 2.358 225 E HA -0.083 4.267 4.350 0.000 0.000 0.195 225 E C 1.600 178.192 176.600 -0.014 0.000 1.010 225 E CA 0.711 57.090 56.400 -0.035 0.000 0.856 225 E CB -0.096 29.589 29.700 -0.025 0.000 0.795 225 E HN 0.583 nan 8.360 nan 0.000 0.504 226 I N 2.019 122.592 120.570 0.006 0.000 2.333 226 I HA -0.071 4.099 4.170 0.000 0.000 0.246 226 I C 2.682 178.826 176.117 0.045 0.000 1.106 226 I CA 1.037 62.343 61.300 0.010 0.000 1.411 226 I CB -1.578 36.463 38.000 0.068 0.000 1.082 226 I HN 0.105 nan 8.210 nan 0.000 0.420 227 A N 1.289 124.168 122.820 0.099 0.000 1.892 227 A HA -0.187 4.133 4.320 0.000 0.000 0.218 227 A C 2.573 180.260 177.584 0.173 0.000 1.188 227 A CA 2.379 54.527 52.037 0.184 0.000 0.631 227 A CB -0.846 18.204 19.000 0.084 0.000 0.822 227 A HN 0.416 nan 8.150 nan 0.000 0.447 228 A N -0.743 122.111 122.820 0.056 0.000 1.898 228 A HA 0.020 4.340 4.320 0.000 0.000 0.216 228 A C 2.139 179.791 177.584 0.113 0.000 1.181 228 A CA 1.678 53.749 52.037 0.057 0.000 0.620 228 A CB -0.594 18.385 19.000 -0.036 0.000 0.819 228 A HN 0.756 nan 8.150 nan 0.000 0.442 229 L N -0.122 121.131 121.223 0.051 0.000 2.017 229 L HA -0.055 4.285 4.340 0.000 0.000 0.208 229 L C 2.619 179.517 176.870 0.046 0.000 1.073 229 L CA 2.280 57.136 54.840 0.027 0.000 0.745 229 L CB -0.807 41.226 42.059 -0.044 0.000 0.894 229 L HN 0.323 nan 8.230 nan 0.000 0.432 230 A N -1.058 121.773 122.820 0.020 0.000 1.933 230 A HA -0.247 4.073 4.320 0.000 0.000 0.218 230 A C 2.246 179.945 177.584 0.192 0.000 1.175 230 A CA 1.838 53.885 52.037 0.017 0.000 0.628 230 A CB -1.150 17.862 19.000 0.020 0.000 0.814 230 A HN 0.534 nan 8.150 nan 0.000 0.444 231 F N 0.583 120.640 119.950 0.179 0.000 2.051 231 F HA -0.159 4.368 4.527 0.000 0.000 0.296 231 F C 2.384 178.342 175.800 0.263 0.000 1.122 231 F CA 2.016 60.203 58.000 0.311 0.000 1.201 231 F CB -0.464 38.680 39.000 0.239 0.000 0.978 231 F HN 0.030 nan 8.300 nan 0.000 0.472 232 V N 0.736 120.927 119.914 0.462 0.000 2.343 232 V HA -0.332 3.788 4.120 0.000 0.000 0.247 232 V C 2.119 178.327 176.094 0.190 0.000 1.051 232 V CA 2.142 64.628 62.300 0.309 0.000 1.036 232 V CB -0.836 31.095 31.823 0.179 0.000 0.654 232 V HN 0.358 nan 8.190 nan 0.000 0.451 233 N N -0.136 118.635 118.700 0.118 0.000 2.309 233 N HA -0.116 4.624 4.740 0.000 0.000 0.182 233 N C 1.867 177.386 175.510 0.015 0.000 1.018 233 N CA 1.661 54.737 53.050 0.043 0.000 0.876 233 N CB -0.443 38.044 38.487 0.000 0.000 0.972 233 N HN 0.463 nan 8.380 nan 0.000 0.434 234 T N 0.525 115.086 114.554 0.012 0.000 2.777 234 T HA -0.022 4.328 4.350 0.000 0.000 0.266 234 T C 2.157 176.842 174.700 -0.026 0.000 1.040 234 T CA 0.681 62.692 62.100 -0.147 0.000 1.141 234 T CB -0.217 68.402 68.868 -0.416 0.000 0.868 234 T HN -0.045 nan 8.240 nan 0.000 0.444 235 V N 1.263 121.302 119.914 0.209 0.000 2.255 235 V HA -0.159 3.961 4.120 0.000 0.000 0.247 235 V C 2.646 178.839 176.094 0.165 0.000 1.051 235 V CA 1.502 63.995 62.300 0.323 0.000 1.018 235 V CB -0.702 31.330 31.823 0.348 0.000 0.641 235 V HN 0.306 nan 8.190 nan 0.000 0.445 236 V N 0.027 120.003 119.914 0.103 0.000 2.307 236 V HA -0.185 3.935 4.120 0.000 0.000 0.245 236 V C 2.657 178.749 176.094 -0.002 0.000 1.045 236 V CA 1.899 64.227 62.300 0.047 0.000 1.024 236 V CB -1.010 30.833 31.823 0.032 0.000 0.651 236 V HN 0.551 nan 8.190 nan 0.000 0.449 237 A N -0.347 122.453 122.820 -0.033 0.000 1.930 237 A HA -0.195 4.125 4.320 0.000 0.000 0.217 237 A C 2.384 179.913 177.584 -0.091 0.000 1.175 237 A CA 2.353 54.344 52.037 -0.075 0.000 0.627 237 A CB -0.881 18.056 19.000 -0.104 0.000 0.815 237 A HN 0.498 nan 8.150 nan 0.000 0.443 238 T N 0.303 114.799 114.554 -0.096 0.000 2.746 238 T HA -0.011 4.339 4.350 0.000 0.000 0.267 238 T C 2.235 176.878 174.700 -0.095 0.000 1.039 238 T CA 1.545 63.566 62.100 -0.131 0.000 1.142 238 T CB -0.420 68.401 68.868 -0.077 0.000 0.866 238 T HN 0.584 nan 8.240 nan 0.000 0.444 239 A N 1.444 124.239 122.820 -0.043 0.000 1.902 239 A HA 0.175 4.495 4.320 0.000 0.000 0.217 239 A C 2.633 180.208 177.584 -0.015 0.000 1.181 239 A CA 1.786 53.806 52.037 -0.029 0.000 0.623 239 A CB -1.074 17.932 19.000 0.010 0.000 0.818 239 A HN 0.502 nan 8.150 nan 0.000 0.443 240 A N -0.344 122.465 122.820 -0.018 0.000 1.930 240 A HA 0.210 4.530 4.320 0.000 0.000 0.217 240 A C 2.421 180.010 177.584 0.009 0.000 1.175 240 A CA 1.926 53.956 52.037 -0.013 0.000 0.627 240 A CB -0.786 18.193 19.000 -0.035 0.000 0.815 240 A HN 0.996 nan 8.150 nan 0.000 0.443 241 A N -0.276 122.544 122.820 -0.000 0.000 1.970 241 A HA 0.078 4.398 4.320 0.000 0.000 0.216 241 A C 2.048 179.694 177.584 0.104 0.000 1.170 241 A CA 1.109 53.176 52.037 0.051 0.000 0.645 241 A CB -0.496 18.507 19.000 0.005 0.000 0.816 241 A HN 0.460 nan 8.150 nan 0.000 0.447 242 I N -0.115 120.472 120.570 0.029 0.000 2.163 242 I HA -0.293 3.877 4.170 0.000 0.000 0.243 242 I C 2.354 178.548 176.117 0.129 0.000 1.085 242 I CA 1.317 62.639 61.300 0.037 0.000 1.347 242 I CB -0.306 37.672 38.000 -0.036 0.000 1.044 242 I HN 0.298 nan 8.210 nan 0.000 0.408 243 L N 0.061 121.348 121.223 0.107 0.000 2.056 243 L HA -0.105 4.235 4.340 0.000 0.000 0.207 243 L C 2.689 179.686 176.870 0.212 0.000 1.078 243 L CA 1.478 56.406 54.840 0.146 0.000 0.749 243 L CB -1.197 40.908 42.059 0.078 0.000 0.901 243 L HN 0.320 nan 8.230 nan 0.000 0.433 244 G N -0.603 108.300 108.800 0.173 0.000 2.421 244 G HA2 -0.287 3.673 3.960 0.000 0.000 0.216 244 G HA3 -0.287 3.673 3.960 0.000 0.000 0.216 244 G C 1.366 176.449 174.900 0.305 0.000 1.171 244 G CA 0.265 45.489 45.100 0.206 0.000 0.775 244 G HN 0.398 nan 8.290 nan 0.000 0.543 245 W N 1.196 122.566 121.300 0.116 0.000 2.354 245 W HA -0.066 4.593 4.660 -0.000 0.000 0.315 245 W C 2.210 178.813 176.519 0.140 0.000 1.206 245 W CA 0.936 58.347 57.345 0.110 0.000 1.290 245 W CB -0.500 28.996 29.460 0.060 0.000 1.152 245 W HN 0.108 nan 8.180 nan 0.000 0.489 246 I N 0.425 121.293 120.570 0.497 0.000 2.361 246 I HA -0.294 3.876 4.170 0.000 0.000 0.251 246 I C 2.425 178.797 176.117 0.426 0.000 1.133 246 I CA 1.422 62.960 61.300 0.397 0.000 1.413 246 I CB -1.593 36.579 38.000 0.286 0.000 1.073 246 I HN -0.093 nan 8.210 nan 0.000 0.424 247 F N 1.897 122.008 119.950 0.269 0.000 2.113 247 F HA -0.097 4.430 4.527 0.000 0.000 0.297 247 F C 2.412 178.321 175.800 0.182 0.000 1.103 247 F CA 1.754 59.888 58.000 0.223 0.000 1.248 247 F CB -0.722 38.349 39.000 0.119 0.000 0.999 247 F HN 0.029 nan 8.300 nan 0.000 0.475 248 G N -0.468 108.413 108.800 0.135 0.000 2.418 248 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 248 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 248 G C 1.578 176.451 174.900 -0.045 0.000 1.158 248 G CA 0.803 45.879 45.100 -0.040 0.000 0.771 248 G HN 0.493 nan 8.290 nan 0.000 0.545 249 E N -0.865 119.372 120.200 0.061 0.000 2.077 249 E HA -0.154 4.196 4.350 0.000 0.000 0.193 249 E C 2.096 178.775 176.600 0.131 0.000 0.989 249 E CA 0.771 57.234 56.400 0.104 0.000 0.800 249 E CB -0.255 29.591 29.700 0.244 0.000 0.746 249 E HN 0.493 nan 8.360 nan 0.000 0.452 250 W N 1.071 122.336 121.300 -0.057 0.000 2.374 250 W HA -0.031 4.629 4.660 0.000 0.000 0.288 250 W C 2.083 178.509 176.519 -0.155 0.000 1.218 250 W CA 1.733 59.028 57.345 -0.084 0.000 1.245 250 W CB -0.542 28.873 29.460 -0.076 0.000 1.126 250 W HN 0.199 nan 8.180 nan 0.000 0.545 251 A N -0.285 122.517 122.820 -0.031 0.000 1.929 251 A HA -0.106 4.214 4.320 0.000 0.000 0.216 251 A C 1.939 179.494 177.584 -0.048 0.000 1.176 251 A CA 1.491 53.436 52.037 -0.153 0.000 0.628 251 A CB -0.894 17.896 19.000 -0.350 0.000 0.816 251 A HN 0.230 nan 8.150 nan 0.000 0.444 252 L N -1.171 120.038 121.223 -0.023 0.000 2.095 252 L HA 0.070 4.410 4.340 0.000 0.000 0.204 252 L C 2.034 178.914 176.870 0.017 0.000 1.080 252 L CA 1.554 56.388 54.840 -0.008 0.000 0.759 252 L CB -0.124 41.925 42.059 -0.017 0.000 0.914 252 L HN 0.209 nan 8.230 nan 0.000 0.439 253 R N -1.075 119.450 120.500 0.042 0.000 2.373 253 R HA 0.398 4.738 4.340 0.000 0.000 0.221 253 R C 1.297 177.633 176.300 0.059 0.000 0.893 253 R CA 0.726 56.850 56.100 0.040 0.000 1.049 253 R CB 0.275 30.595 30.300 0.033 0.000 1.119 253 R HN 0.433 nan 8.270 nan 0.000 0.535 254 G N 1.571 110.450 108.800 0.131 0.000 2.175 254 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 254 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 254 G C -0.189 174.800 174.900 0.147 0.000 0.982 254 G CA 0.415 45.639 45.100 0.206 0.000 0.641 254 G HN 0.207 nan 8.290 nan 0.000 0.527 255 L N -3.154 118.011 121.223 -0.096 0.000 2.612 255 L HA 0.807 5.147 4.340 0.000 0.000 0.256 255 L C -2.756 173.838 176.870 -0.459 0.000 0.949 255 L CA -2.966 51.572 54.840 -0.503 0.000 0.867 255 L CB 0.433 42.320 42.059 -0.287 0.000 1.417 255 L HN -0.055 nan 8.230 nan 0.000 0.414 256 P HA 0.450 nan 4.420 nan 0.000 0.274 256 P C -0.708 176.467 177.300 -0.208 0.000 1.246 256 P CA -0.068 62.826 63.100 -0.344 0.000 0.795 256 P CB 1.478 32.917 31.700 -0.436 0.000 1.006 257 S N 0.147 115.790 115.700 -0.094 0.000 2.632 257 S HA 0.284 4.754 4.470 0.000 0.000 0.289 257 S C 0.763 175.305 174.600 -0.097 0.000 1.115 257 S CA -0.723 57.425 58.200 -0.088 0.000 0.889 257 S CB 1.077 64.257 63.200 -0.032 0.000 1.116 257 S HN 0.284 nan 8.310 nan 0.000 0.486 258 L N 1.292 122.451 121.223 -0.107 0.000 2.046 258 L HA 0.144 4.484 4.340 0.000 0.000 0.208 258 L C 2.042 178.834 176.870 -0.130 0.000 1.077 258 L CA 1.673 56.443 54.840 -0.117 0.000 0.747 258 L CB -0.989 40.995 42.059 -0.124 0.000 0.896 258 L HN 0.880 nan 8.230 nan 0.000 0.432 259 L N -0.658 120.489 121.223 -0.127 0.000 2.131 259 L HA -0.115 4.225 4.340 0.000 0.000 0.210 259 L C 2.428 179.128 176.870 -0.283 0.000 1.092 259 L CA 1.241 55.972 54.840 -0.182 0.000 0.759 259 L CB -1.031 40.958 42.059 -0.116 0.000 0.903 259 L HN 0.480 nan 8.230 nan 0.000 0.435 260 G N -0.910 107.771 108.800 -0.198 0.000 2.402 260 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 260 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 260 G C 1.733 176.264 174.900 -0.616 0.000 1.162 260 G CA 0.724 45.599 45.100 -0.374 0.000 0.777 260 G HN 0.473 nan 8.290 nan 0.000 0.539 261 A N 0.069 122.721 122.820 -0.279 0.000 1.877 261 A HA -0.075 4.245 4.320 0.000 0.000 0.216 261 A C 2.587 180.007 177.584 -0.274 0.000 1.186 261 A CA 1.812 53.726 52.037 -0.206 0.000 0.620 261 A CB -1.022 17.918 19.000 -0.100 0.000 0.822 261 A HN 0.418 nan 8.150 nan 0.000 0.443 262 C N -0.673 118.474 119.300 -0.254 0.000 2.429 262 C HA -0.042 4.418 4.460 0.000 0.000 0.277 262 C C 3.257 178.041 174.990 -0.345 0.000 1.262 262 C CA 1.261 60.149 59.018 -0.217 0.000 1.733 262 C CB -1.238 26.421 27.740 -0.134 0.000 2.010 262 C HN 0.613 nan 8.230 nan 0.000 0.483 263 S N 0.724 116.052 115.700 -0.619 0.000 2.382 263 S HA -0.060 4.410 4.470 0.000 0.000 0.228 263 S C 2.081 176.159 174.600 -0.869 0.000 1.027 263 S CA 1.453 59.128 58.200 -0.876 0.000 0.991 263 S CB -0.629 61.611 63.200 -1.601 0.000 0.823 263 S HN 0.769 nan 8.310 nan 0.000 0.469 264 G N 1.425 109.701 108.800 -0.874 0.000 2.418 264 G HA2 -0.056 3.904 3.960 0.000 0.000 0.217 264 G HA3 -0.056 3.904 3.960 0.000 0.000 0.217 264 G C 1.562 176.359 174.900 -0.171 0.000 1.158 264 G CA 0.884 45.868 45.100 -0.193 0.000 0.771 264 G HN 0.567 nan 8.290 nan 0.000 0.545 265 A N 1.169 123.835 122.820 -0.257 0.000 1.883 265 A HA -0.025 4.295 4.320 0.000 0.000 0.217 265 A C 2.338 179.716 177.584 -0.345 0.000 1.186 265 A CA 1.539 53.409 52.037 -0.280 0.000 0.624 265 A CB -0.338 18.481 19.000 -0.302 0.000 0.822 265 A HN 0.272 nan 8.150 nan 0.000 0.444 266 I N 0.021 120.388 120.570 -0.339 0.000 2.286 266 I HA -0.243 3.928 4.170 0.000 0.000 0.248 266 I C 2.929 178.792 176.117 -0.424 0.000 1.115 266 I CA 1.409 62.460 61.300 -0.415 0.000 1.392 266 I CB -1.707 36.105 38.000 -0.313 0.000 1.065 266 I HN 0.375 nan 8.210 nan 0.000 0.418 267 A N 1.052 123.735 122.820 -0.229 0.000 1.877 267 A HA -0.113 4.207 4.320 0.000 0.000 0.216 267 A C 2.522 179.998 177.584 -0.180 0.000 1.186 267 A CA 1.986 53.965 52.037 -0.097 0.000 0.620 267 A CB -1.351 17.768 19.000 0.198 0.000 0.822 267 A HN 0.423 nan 8.150 nan 0.000 0.443 268 G N -0.493 108.187 108.800 -0.199 0.000 2.408 268 G HA2 -0.079 3.881 3.960 0.000 0.000 0.217 268 G HA3 -0.079 3.881 3.960 0.000 0.000 0.217 268 G C 1.553 176.229 174.900 -0.373 0.000 1.150 268 G CA 0.928 45.900 45.100 -0.213 0.000 0.776 268 G HN 0.420 nan 8.290 nan 0.000 0.542 269 L N 0.175 121.014 121.223 -0.641 0.000 2.046 269 L HA -0.083 4.257 4.340 0.000 0.000 0.208 269 L C 2.977 179.311 176.870 -0.894 0.000 1.077 269 L CA 0.527 54.655 54.840 -1.186 0.000 0.747 269 L CB -0.439 40.301 42.059 -2.200 0.000 0.896 269 L HN 0.086 nan 8.230 nan 0.000 0.432 270 V N -0.040 119.461 119.914 -0.689 0.000 2.307 270 V HA -0.185 3.935 4.120 0.000 0.000 0.245 270 V C 2.590 178.599 176.094 -0.141 0.000 1.045 270 V CA 2.004 64.035 62.300 -0.448 0.000 1.024 270 V CB -1.187 30.294 31.823 -0.571 0.000 0.651 270 V HN 0.564 nan 8.190 nan 0.000 0.449 271 G N -0.995 107.726 108.800 -0.131 0.000 2.422 271 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 271 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 271 G C 1.657 176.580 174.900 0.039 0.000 1.146 271 G CA 1.140 46.236 45.100 -0.007 0.000 0.769 271 G HN 0.391 nan 8.290 nan 0.000 0.547 272 V N 0.497 120.399 119.914 -0.020 0.000 3.406 272 V HA -0.002 4.118 4.120 0.000 0.000 0.263 272 V C 2.823 179.022 176.094 0.174 0.000 1.172 272 V CA 1.923 64.244 62.300 0.034 0.000 1.140 272 V CB -0.391 31.397 31.823 -0.059 0.000 0.784 272 V HN 0.361 nan 8.190 nan 0.000 0.467 273 T N 1.995 116.716 114.554 0.279 0.000 2.635 273 T HA -0.105 4.245 4.350 0.000 0.000 0.267 273 T C -0.233 174.806 174.700 0.564 0.000 1.040 273 T CA 2.252 64.695 62.100 0.571 0.000 1.156 273 T CB -1.103 68.275 68.868 0.851 0.000 0.863 273 T HN 0.547 nan 8.240 nan 0.000 0.430 274 P HA 0.126 nan 4.420 nan 0.000 0.223 274 P C 0.928 178.538 177.300 0.516 0.000 1.151 274 P CA 0.996 64.400 63.100 0.506 0.000 0.787 274 P CB -0.035 31.905 31.700 0.400 0.000 0.788 275 A N -0.239 122.807 122.820 0.376 0.000 2.115 275 A HA 0.003 4.323 4.320 0.000 0.000 0.211 275 A C 2.354 180.028 177.584 0.150 0.000 1.169 275 A CA 0.728 52.959 52.037 0.324 0.000 0.787 275 A CB -1.556 17.579 19.000 0.225 0.000 0.858 275 A HN 0.384 nan 8.150 nan 0.000 0.474 276 C N -1.602 117.731 119.300 0.055 0.000 2.422 276 C HA 0.124 4.584 4.460 0.000 0.000 0.279 276 C C 2.417 177.141 174.990 -0.443 0.000 1.305 276 C CA 0.713 59.665 59.018 -0.109 0.000 1.757 276 C CB -1.631 26.107 27.740 -0.003 0.000 1.962 276 C HN 0.492 nan 8.230 nan 0.000 0.499 277 G N -1.969 106.142 108.800 -1.149 0.000 2.985 277 G HA2 0.204 4.164 3.960 0.000 0.000 0.209 277 G HA3 0.204 4.164 3.960 0.000 0.000 0.209 277 G C 0.882 175.301 174.900 -0.802 0.000 1.165 277 G CA 0.346 44.495 45.100 -1.584 0.000 0.776 277 G HN 0.643 nan 8.290 nan 0.000 0.541 278 Y N 0.014 120.204 120.300 -0.184 0.000 2.453 278 Y HA 0.386 4.936 4.550 -0.000 0.000 0.247 278 Y C 1.067 176.957 175.900 -0.016 0.000 1.124 278 Y CA -1.544 56.538 58.100 -0.030 0.000 1.243 278 Y CB 0.238 38.743 38.460 0.075 0.000 1.213 278 Y HN 0.218 nan 8.280 nan 0.000 0.523 279 I N -2.456 118.179 120.570 0.109 0.000 3.023 279 I HA 0.931 5.101 4.170 0.000 0.000 0.312 279 I C 0.555 176.701 176.117 0.049 0.000 1.056 279 I CA -1.293 60.073 61.300 0.109 0.000 1.033 279 I CB 1.586 39.663 38.000 0.129 0.000 1.233 279 I HN -0.041 nan 8.210 nan 0.000 0.462 280 G N 1.268 110.106 108.800 0.064 0.000 2.522 280 G HA2 0.426 4.387 3.960 0.000 0.000 0.304 280 G HA3 0.426 4.387 3.960 0.000 0.000 0.304 280 G C 0.581 175.490 174.900 0.014 0.000 1.210 280 G CA -0.621 44.501 45.100 0.037 0.000 0.960 280 G HN 0.554 nan 8.290 nan 0.000 0.497 281 V N 1.011 120.931 119.914 0.011 0.000 2.515 281 V HA -0.063 4.057 4.120 0.000 0.000 0.250 281 V C 2.969 179.050 176.094 -0.021 0.000 1.058 281 V CA 2.277 64.577 62.300 -0.000 0.000 1.064 281 V CB -0.724 31.108 31.823 0.014 0.000 0.675 281 V HN 0.835 nan 8.190 nan 0.000 0.461 282 G N 0.265 109.060 108.800 -0.009 0.000 2.422 282 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 282 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 282 G C 1.608 176.440 174.900 -0.114 0.000 1.146 282 G CA 0.897 45.982 45.100 -0.026 0.000 0.769 282 G HN 0.572 nan 8.290 nan 0.000 0.547 283 G N 0.954 109.684 108.800 -0.118 0.000 2.408 283 G HA2 0.098 4.058 3.960 0.000 0.000 0.217 283 G HA3 0.098 4.058 3.960 0.000 0.000 0.217 283 G C 2.016 176.658 174.900 -0.430 0.000 1.150 283 G CA 1.390 46.216 45.100 -0.457 0.000 0.776 283 G HN 0.606 nan 8.290 nan 0.000 0.542 284 A N 0.519 123.225 122.820 -0.191 0.000 1.933 284 A HA 0.074 4.394 4.320 0.000 0.000 0.218 284 A C 2.352 179.847 177.584 -0.149 0.000 1.175 284 A CA 1.430 53.383 52.037 -0.140 0.000 0.628 284 A CB -0.417 18.545 19.000 -0.064 0.000 0.814 284 A HN 0.404 nan 8.150 nan 0.000 0.444 285 L N -0.463 120.680 121.223 -0.134 0.000 2.017 285 L HA -0.153 4.187 4.340 0.000 0.000 0.208 285 L C 2.384 179.167 176.870 -0.145 0.000 1.073 285 L CA 1.693 56.469 54.840 -0.106 0.000 0.745 285 L CB -0.232 41.783 42.059 -0.074 0.000 0.894 285 L HN 0.434 nan 8.230 nan 0.000 0.432 286 I N -0.357 120.072 120.570 -0.234 0.000 2.252 286 I HA -0.322 3.849 4.170 0.000 0.000 0.245 286 I C 2.378 178.352 176.117 -0.238 0.000 1.102 286 I CA 1.361 62.514 61.300 -0.245 0.000 1.385 286 I CB -0.215 37.566 38.000 -0.366 0.000 1.064 286 I HN 0.252 nan 8.210 nan 0.000 0.414 287 I N 0.732 121.105 120.570 -0.330 0.000 2.286 287 I HA -0.225 3.945 4.170 0.000 0.000 0.248 287 I C 2.640 178.700 176.117 -0.095 0.000 1.115 287 I CA 1.611 62.802 61.300 -0.182 0.000 1.392 287 I CB -0.822 37.083 38.000 -0.159 0.000 1.065 287 I HN 0.278 nan 8.210 nan 0.000 0.418 288 G N 0.433 109.172 108.800 -0.101 0.000 2.421 288 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 288 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 288 G C 1.707 176.592 174.900 -0.026 0.000 1.171 288 G CA 0.809 45.871 45.100 -0.063 0.000 0.775 288 G HN 0.231 nan 8.290 nan 0.000 0.543 289 V N 0.620 120.513 119.914 -0.036 0.000 2.287 289 V HA -0.187 3.933 4.120 0.000 0.000 0.248 289 V C 3.049 179.151 176.094 0.013 0.000 1.053 289 V CA 1.611 63.907 62.300 -0.006 0.000 1.027 289 V CB -0.523 31.281 31.823 -0.032 0.000 0.646 289 V HN 0.245 nan 8.190 nan 0.000 0.447 290 V N 0.275 120.185 119.914 -0.007 0.000 2.343 290 V HA -0.247 3.873 4.120 0.000 0.000 0.247 290 V C 2.688 178.796 176.094 0.023 0.000 1.051 290 V CA 1.990 64.294 62.300 0.007 0.000 1.036 290 V CB -1.144 30.684 31.823 0.009 0.000 0.654 290 V HN 0.562 nan 8.190 nan 0.000 0.451 291 A N 0.533 123.368 122.820 0.024 0.000 1.902 291 A HA -0.065 4.255 4.320 0.000 0.000 0.217 291 A C 2.424 180.067 177.584 0.098 0.000 1.181 291 A CA 1.876 53.942 52.037 0.049 0.000 0.623 291 A CB -1.187 17.820 19.000 0.013 0.000 0.818 291 A HN 0.519 nan 8.150 nan 0.000 0.443 292 G N -0.196 108.675 108.800 0.119 0.000 2.418 292 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 292 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 292 G C 1.555 176.518 174.900 0.105 0.000 1.158 292 G CA 1.041 46.292 45.100 0.253 0.000 0.771 292 G HN 0.427 nan 8.290 nan 0.000 0.545 293 L N 0.578 121.824 121.223 0.039 0.000 2.093 293 L HA 0.004 4.344 4.340 0.000 0.000 0.208 293 L C 3.377 180.220 176.870 -0.045 0.000 1.085 293 L CA 0.893 55.709 54.840 -0.040 0.000 0.755 293 L CB -0.314 41.755 42.059 0.017 0.000 0.904 293 L HN 0.306 nan 8.230 nan 0.000 0.435 294 A N 0.207 123.037 122.820 0.016 0.000 1.930 294 A HA -0.094 4.226 4.320 0.000 0.000 0.217 294 A C 2.391 180.071 177.584 0.160 0.000 1.175 294 A CA 1.603 53.691 52.037 0.084 0.000 0.627 294 A CB -1.131 17.906 19.000 0.062 0.000 0.815 294 A HN 0.430 nan 8.150 nan 0.000 0.443 295 G N -0.130 108.725 108.800 0.092 0.000 2.402 295 G HA2 -0.126 3.834 3.960 0.000 0.000 0.216 295 G HA3 -0.126 3.834 3.960 0.000 0.000 0.216 295 G C 1.480 176.210 174.900 -0.284 0.000 1.162 295 G CA 1.166 46.359 45.100 0.155 0.000 0.777 295 G HN 0.493 nan 8.290 nan 0.000 0.539 296 L N -0.346 120.268 121.223 -1.014 0.000 2.046 296 L HA 0.021 4.361 4.340 0.000 0.000 0.208 296 L C 2.434 179.080 176.870 -0.373 0.000 1.077 296 L CA 1.859 55.941 54.840 -1.263 0.000 0.747 296 L CB -0.769 40.477 42.059 -1.354 0.000 0.896 296 L HN 0.455 nan 8.230 nan 0.000 0.432 297 W N 0.412 121.522 121.300 -0.316 0.000 2.335 297 W HA -0.126 4.534 4.660 0.000 0.000 0.311 297 W C 2.237 178.713 176.519 -0.072 0.000 1.213 297 W CA 2.453 59.711 57.345 -0.146 0.000 1.274 297 W CB -0.745 28.660 29.460 -0.092 0.000 1.148 297 W HN 0.226 nan 8.180 nan 0.000 0.498 298 G N 0.320 109.167 108.800 0.078 0.000 2.418 298 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 298 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 298 G C 1.415 176.225 174.900 -0.150 0.000 1.158 298 G CA 2.121 47.159 45.100 -0.103 0.000 0.771 298 G HN 0.508 nan 8.290 nan 0.000 0.545 299 V N -1.065 118.840 119.914 -0.016 0.000 2.667 299 V HA 0.079 4.199 4.120 0.000 0.000 0.252 299 V C 1.630 177.697 176.094 -0.044 0.000 1.065 299 V CA 1.253 63.590 62.300 0.062 0.000 1.083 299 V CB -1.136 30.839 31.823 0.253 0.000 0.692 299 V HN 0.140 nan 8.190 nan 0.000 0.468 303 K N 1.615 121.988 120.400 -0.046 0.000 2.152 303 K HA -0.045 4.276 4.320 0.000 0.000 0.206 303 K C 1.871 178.442 176.600 -0.048 0.000 1.048 303 K CA 1.703 57.965 56.287 -0.041 0.000 0.933 303 K CB -0.045 32.431 32.500 -0.039 0.000 0.721 303 K HN 0.171 nan 8.250 nan 0.000 0.447 304 R N -0.257 120.203 120.500 -0.066 0.000 2.115 304 R HA -0.008 4.332 4.340 0.000 0.000 0.230 304 R C 2.288 178.567 176.300 -0.034 0.000 1.111 304 R CA 1.281 57.348 56.100 -0.054 0.000 0.976 304 R CB -0.274 29.982 30.300 -0.074 0.000 0.870 304 R HN 0.214 nan 8.270 nan 0.000 0.445 305 L N -0.097 121.108 121.223 -0.030 0.000 2.068 305 L HA -0.121 4.219 4.340 0.000 0.000 0.204 305 L C 2.124 178.996 176.870 0.003 0.000 1.076 305 L CA 0.625 55.462 54.840 -0.004 0.000 0.753 305 L CB -0.154 41.911 42.059 0.011 0.000 0.910 305 L HN 0.170 nan 8.230 nan 0.000 0.439 306 L N -0.731 120.490 121.223 -0.003 0.000 2.253 306 L HA 0.054 4.394 4.340 0.000 0.000 0.205 306 L C 1.857 178.714 176.870 -0.022 0.000 1.078 306 L CA 1.085 55.923 54.840 -0.004 0.000 0.805 306 L CB -0.434 41.626 42.059 0.001 0.000 0.963 306 L HN 0.306 nan 8.230 nan 0.000 0.459 307 R N -0.878 119.604 120.500 -0.030 0.000 4.016 307 R HA -0.186 4.154 4.340 0.000 0.000 0.385 307 R C -0.692 175.574 176.300 -0.056 0.000 1.158 307 R CA 0.984 57.061 56.100 -0.038 0.000 1.117 307 R CB -1.968 28.317 30.300 -0.026 0.000 1.635 307 R HN 0.277 nan 8.270 nan 0.000 0.560 308 V N 0.554 120.423 119.914 -0.075 0.000 3.074 308 V HA 0.476 4.596 4.120 0.000 0.000 0.314 308 V C -0.760 175.215 176.094 -0.199 0.000 1.117 308 V CA -0.745 61.481 62.300 -0.123 0.000 1.014 308 V CB 1.992 33.755 31.823 -0.100 0.000 1.057 308 V HN 0.198 nan 8.190 nan 0.000 0.438 309 D N 3.108 123.286 120.400 -0.371 0.000 2.389 309 D HA 0.364 5.004 4.640 0.000 0.000 0.247 309 D C -0.626 175.347 176.300 -0.545 0.000 1.128 309 D CA 0.643 54.202 54.000 -0.735 0.000 0.884 309 D CB 0.936 40.763 40.800 -1.622 0.000 1.194 309 D HN 0.680 nan 8.370 nan 0.000 0.441 310 D N 1.514 121.785 120.400 -0.216 0.000 2.859 310 D HA 0.131 4.771 4.640 0.000 0.000 0.223 310 D C -2.117 174.371 176.300 0.314 0.000 1.218 310 D CA -1.751 52.283 54.000 0.057 0.000 0.850 310 D CB 2.880 43.697 40.800 0.029 0.000 1.656 310 D HN -0.059 nan 8.370 nan 0.000 0.484 311 P HA -0.049 nan 4.420 nan 0.000 0.220 311 P C 1.445 178.811 177.300 0.110 0.000 1.148 311 P CA 0.665 63.915 63.100 0.250 0.000 0.803 311 P CB 0.037 31.836 31.700 0.165 0.000 0.782 312 C N 0.035 119.370 119.300 0.059 0.000 2.466 312 C HA -0.040 4.420 4.460 0.000 0.000 0.283 312 C C 2.174 177.212 174.990 0.081 0.000 1.472 312 C CA 0.497 59.524 59.018 0.015 0.000 1.765 312 C CB -1.939 25.954 27.740 0.256 0.000 1.724 312 C HN 0.275 nan 8.230 nan 0.000 0.560 313 D N 0.923 121.410 120.400 0.144 0.000 2.221 313 D HA -0.108 4.532 4.640 0.000 0.000 0.204 313 D C 2.082 178.487 176.300 0.175 0.000 0.982 313 D CA 0.917 55.029 54.000 0.187 0.000 0.857 313 D CB -0.298 40.651 40.800 0.249 0.000 0.934 313 D HN 0.308 nan 8.370 nan 0.000 0.475 314 V N 0.607 120.569 119.914 0.080 0.000 2.380 314 V HA -0.265 3.855 4.120 0.000 0.000 0.251 314 V C 2.090 178.305 176.094 0.202 0.000 1.063 314 V CA 1.401 63.767 62.300 0.111 0.000 1.055 314 V CB -0.695 31.148 31.823 0.034 0.000 0.657 314 V HN 0.209 nan 8.190 nan 0.000 0.455 315 F N 0.711 120.842 119.950 0.302 0.000 2.365 315 F HA -0.009 4.518 4.527 0.000 0.000 0.300 315 F C 2.364 178.324 175.800 0.267 0.000 1.090 315 F CA 0.760 58.921 58.000 0.269 0.000 1.408 315 F CB -0.656 38.457 39.000 0.188 0.000 1.060 315 F HN 0.261 nan 8.300 nan 0.000 0.534 316 G N -0.017 109.010 108.800 0.378 0.000 2.422 316 G HA2 -0.154 3.806 3.960 0.000 0.000 0.218 316 G HA3 -0.154 3.806 3.960 0.000 0.000 0.218 316 G C 1.675 176.759 174.900 0.307 0.000 1.140 316 G CA 0.944 46.223 45.100 0.298 0.000 0.775 316 G HN 0.223 nan 8.290 nan 0.000 0.545 317 V N 0.251 120.358 119.914 0.321 0.000 2.323 317 V HA -0.137 3.984 4.120 0.000 0.000 0.244 317 V C 2.464 178.674 176.094 0.193 0.000 1.041 317 V CA 1.589 64.048 62.300 0.265 0.000 1.025 317 V CB -0.709 31.248 31.823 0.224 0.000 0.656 317 V HN 0.428 nan 8.190 nan 0.000 0.451 318 H N 0.204 119.416 119.070 0.237 0.000 2.353 318 H HA -0.117 4.439 4.556 0.000 0.000 0.300 318 H C 2.336 177.835 175.328 0.284 0.000 1.090 318 H CA 1.799 58.001 56.048 0.256 0.000 1.327 318 H CB -0.318 29.669 29.762 0.374 0.000 1.383 318 H HN 0.504 nan 8.280 nan 0.000 0.508 319 G N 0.190 109.239 108.800 0.414 0.000 2.404 319 G HA2 -0.150 3.810 3.960 0.000 0.000 0.214 319 G HA3 -0.150 3.810 3.960 0.000 0.000 0.214 319 G C 1.949 177.012 174.900 0.271 0.000 1.189 319 G CA 0.833 46.132 45.100 0.330 0.000 0.789 319 G HN 0.218 nan 8.290 nan 0.000 0.533 320 V N 0.630 120.705 119.914 0.268 0.000 2.307 320 V HA -0.191 3.929 4.120 0.000 0.000 0.245 320 V C 3.020 179.233 176.094 0.198 0.000 1.045 320 V CA 1.813 64.265 62.300 0.254 0.000 1.024 320 V CB -0.583 31.432 31.823 0.320 0.000 0.651 320 V HN 0.495 nan 8.190 nan 0.000 0.449 321 C N 0.689 120.092 119.300 0.171 0.000 2.446 321 C HA 0.060 4.520 4.460 0.000 0.000 0.279 321 C C 2.854 177.913 174.990 0.115 0.000 1.366 321 C CA 0.380 59.464 59.018 0.109 0.000 1.763 321 C CB -1.626 26.138 27.740 0.040 0.000 1.929 321 C HN 0.679 nan 8.230 nan 0.000 0.509 322 G N 0.800 109.700 108.800 0.167 0.000 2.402 322 G HA2 -0.138 3.822 3.960 0.000 0.000 0.216 322 G HA3 -0.138 3.822 3.960 0.000 0.000 0.216 322 G C 1.479 176.505 174.900 0.209 0.000 1.162 322 G CA 0.640 45.879 45.100 0.232 0.000 0.777 322 G HN 0.514 nan 8.290 nan 0.000 0.539 323 I N 0.277 120.961 120.570 0.190 0.000 2.179 323 I HA -0.154 4.016 4.170 0.000 0.000 0.242 323 I C 2.793 178.990 176.117 0.134 0.000 1.088 323 I CA 0.497 61.892 61.300 0.159 0.000 1.357 323 I CB -0.230 37.861 38.000 0.152 0.000 1.051 323 I HN 0.021 nan 8.210 nan 0.000 0.409 324 V N 0.954 120.942 119.914 0.122 0.000 2.287 324 V HA -0.249 3.871 4.120 0.000 0.000 0.248 324 V C 2.526 178.691 176.094 0.119 0.000 1.053 324 V CA 2.305 64.665 62.300 0.100 0.000 1.027 324 V CB -1.345 30.526 31.823 0.079 0.000 0.646 324 V HN 0.594 nan 8.190 nan 0.000 0.447 325 G N -1.625 107.254 108.800 0.130 0.000 2.408 325 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 325 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 325 G C 1.886 176.900 174.900 0.189 0.000 1.150 325 G CA 1.014 46.204 45.100 0.150 0.000 0.776 325 G HN 0.573 nan 8.290 nan 0.000 0.542 326 C N 0.317 119.731 119.300 0.190 0.000 2.446 326 C HA 0.250 4.710 4.460 0.000 0.000 0.277 326 C C 1.961 177.047 174.990 0.160 0.000 1.275 326 C CA -0.532 58.600 59.018 0.189 0.000 1.727 326 C CB -0.998 26.846 27.740 0.173 0.000 2.010 326 C HN 0.333 nan 8.230 nan 0.000 0.486 330 G N 0.992 109.927 108.800 0.225 0.000 2.509 330 G HA2 0.073 4.033 3.960 0.000 0.000 0.218 330 G HA3 0.073 4.033 3.960 0.000 0.000 0.218 330 G C 1.239 176.308 174.900 0.282 0.000 1.124 330 G CA 0.718 45.953 45.100 0.225 0.000 0.776 330 G HN 0.537 nan 8.290 nan 0.000 0.547 331 I N -1.230 119.449 120.570 0.181 0.000 2.499 331 I HA 0.180 4.350 4.170 0.000 0.000 0.243 331 I C 1.791 177.852 176.117 -0.092 0.000 1.085 331 I CA 0.346 61.645 61.300 -0.003 0.000 1.422 331 I CB -0.022 37.833 38.000 -0.242 0.000 1.165 331 I HN 0.004 nan 8.210 nan 0.000 0.440 332 F N 1.091 121.114 119.950 0.121 0.000 2.811 332 F HA 0.136 4.663 4.527 -0.000 0.000 0.301 332 F C 2.328 178.133 175.800 0.009 0.000 1.151 332 F CA 0.505 58.543 58.000 0.063 0.000 1.412 332 F CB -0.415 38.623 39.000 0.063 0.000 1.113 332 F HN -0.021 nan 8.300 nan 0.000 0.579 333 A N 0.382 123.260 122.820 0.096 0.000 2.121 333 A HA 0.244 4.564 4.320 0.000 0.000 0.218 333 A C 1.655 178.948 177.584 -0.486 0.000 1.154 333 A CA 0.632 52.595 52.037 -0.122 0.000 0.679 333 A CB -0.969 17.934 19.000 -0.162 0.000 0.795 333 A HN 0.158 nan 8.150 nan 0.000 0.458 334 A N 0.389 122.897 122.820 -0.521 0.000 2.531 334 A HA 0.358 4.678 4.320 0.000 0.000 0.236 334 A C 1.562 179.001 177.584 -0.241 0.000 1.062 334 A CA 0.413 52.133 52.037 -0.529 0.000 0.760 334 A CB 0.069 19.001 19.000 -0.113 0.000 0.995 334 A HN 0.887 nan 8.150 nan 0.000 0.501 335 S N 1.472 117.060 115.700 -0.187 0.000 2.423 335 S HA -0.171 4.299 4.470 0.000 0.000 0.231 335 S C 1.837 176.417 174.600 -0.033 0.000 1.014 335 S CA 1.234 59.384 58.200 -0.083 0.000 0.965 335 S CB -0.700 62.473 63.200 -0.045 0.000 0.785 335 S HN 1.337 nan 8.310 nan 0.000 0.495 336 S N 2.023 117.705 115.700 -0.030 0.000 2.442 336 S HA 0.111 4.581 4.470 0.000 0.000 0.236 336 S C 1.356 175.959 174.600 0.004 0.000 1.007 336 S CA 0.608 58.805 58.200 -0.005 0.000 0.965 336 S CB -0.682 62.520 63.200 0.003 0.000 0.773 336 S HN 0.549 nan 8.310 nan 0.000 0.504 337 L N 0.875 122.099 121.223 0.001 0.000 2.818 337 L HA 0.442 4.782 4.340 0.000 0.000 0.243 337 L C 1.524 178.456 176.870 0.103 0.000 1.185 337 L CA 0.175 55.054 54.840 0.064 0.000 0.988 337 L CB -0.085 41.997 42.059 0.040 0.000 1.292 337 L HN 0.532 nan 8.230 nan 0.000 0.519 338 G N -0.185 108.644 108.800 0.048 0.000 2.157 338 G HA2 -0.218 3.742 3.960 0.000 0.000 0.248 338 G HA3 -0.218 3.742 3.960 0.000 0.000 0.248 338 G C 0.502 175.425 174.900 0.038 0.000 0.979 338 G CA -0.130 44.997 45.100 0.045 0.000 0.650 338 G HN 0.510 nan 8.290 nan 0.000 0.529 339 G N -1.372 107.439 108.800 0.019 0.000 2.531 339 G HA2 0.557 4.517 3.960 0.000 0.000 0.281 339 G HA3 0.557 4.517 3.960 0.000 0.000 0.281 339 G C 1.181 176.066 174.900 -0.024 0.000 1.382 339 G CA 0.566 45.672 45.100 0.011 0.000 1.045 339 G HN 0.985 nan 8.290 nan 0.000 0.533 340 V N -0.777 119.135 119.914 -0.003 0.000 2.871 340 V HA 0.467 4.587 4.120 0.000 0.000 0.256 340 V C 0.991 177.052 176.094 -0.055 0.000 1.082 340 V CA 1.832 64.143 62.300 0.019 0.000 1.105 340 V CB -0.578 31.337 31.823 0.154 0.000 0.713 340 V HN 1.769 nan 8.190 nan 0.000 0.473 341 G N -0.519 108.155 108.800 -0.211 0.000 2.621 341 G HA2 0.142 4.102 3.960 0.000 0.000 0.355 341 G HA3 0.142 4.102 3.960 0.000 0.000 0.355 341 G C -1.016 173.684 174.900 -0.333 0.000 1.509 341 G CA -0.670 44.312 45.100 -0.197 0.000 1.000 341 G HN 0.129 nan 8.290 nan 0.000 0.646 342 F N 1.487 121.447 119.950 0.016 0.000 2.411 342 F HA 0.817 5.344 4.527 0.000 0.000 0.324 342 F C 1.183 176.989 175.800 0.011 0.000 1.086 342 F CA 0.147 58.148 58.000 0.001 0.000 1.028 342 F CB 1.136 40.141 39.000 0.008 0.000 1.284 342 F HN 0.792 nan 8.300 nan 0.000 0.501 343 A N -0.066 122.891 122.820 0.229 0.000 2.292 343 A HA 0.209 4.529 4.320 0.000 0.000 0.265 343 A C 0.177 177.823 177.584 0.103 0.000 1.133 343 A CA -0.579 51.534 52.037 0.127 0.000 0.807 343 A CB -0.042 19.018 19.000 0.099 0.000 1.102 343 A HN 0.667 nan 8.150 nan 0.000 0.502 344 E N -0.479 119.757 120.200 0.061 0.000 2.465 344 E HA 0.265 4.615 4.350 0.000 0.000 0.260 344 E C 1.197 177.800 176.600 0.005 0.000 0.980 344 E CA 1.505 57.925 56.400 0.034 0.000 0.927 344 E CB 0.417 30.128 29.700 0.019 0.000 0.934 344 E HN 1.337 nan 8.360 nan 0.000 0.459 345 G N 2.148 110.946 108.800 -0.003 0.000 2.205 345 G HA2 -0.291 3.669 3.960 0.000 0.000 0.261 345 G HA3 -0.291 3.669 3.960 0.000 0.000 0.261 345 G C 0.347 175.198 174.900 -0.081 0.000 0.980 345 G CA 0.313 45.383 45.100 -0.049 0.000 0.632 345 G HN 0.414 nan 8.290 nan 0.000 0.533 346 V N 2.334 122.233 119.914 -0.026 0.000 2.465 346 V HA 0.647 4.767 4.120 0.000 0.000 0.279 346 V C 1.084 177.127 176.094 -0.086 0.000 1.045 346 V CA 0.287 62.551 62.300 -0.061 0.000 0.938 346 V CB 1.325 33.168 31.823 0.034 0.000 0.986 346 V HN 0.716 nan 8.190 nan 0.000 0.467 350 H N 0.591 119.544 119.070 -0.195 0.000 2.321 350 H HA -0.083 4.473 4.556 0.000 0.000 0.300 350 H C 2.448 177.670 175.328 -0.177 0.000 1.087 350 H CA 2.276 58.225 56.048 -0.165 0.000 1.319 350 H CB 0.189 29.851 29.762 -0.167 0.000 1.379 350 H HN 0.364 nan 8.280 nan 0.000 0.501 351 Q N 0.888 120.502 119.800 -0.310 0.000 2.084 351 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 351 Q C 2.706 178.579 176.000 -0.211 0.000 0.978 351 Q CA 1.363 56.987 55.803 -0.299 0.000 0.844 351 Q CB -0.393 28.074 28.738 -0.452 0.000 0.898 351 Q HN 0.530 nan 8.270 nan 0.000 0.426 352 L N -0.479 120.633 121.223 -0.186 0.000 2.046 352 L HA -0.200 4.140 4.340 0.000 0.000 0.208 352 L C 2.279 179.085 176.870 -0.106 0.000 1.077 352 L CA 1.011 55.792 54.840 -0.099 0.000 0.747 352 L CB -0.467 41.547 42.059 -0.074 0.000 0.896 352 L HN 0.293 nan 8.230 nan 0.000 0.432 353 L N -1.181 119.940 121.223 -0.169 0.000 2.083 353 L HA -0.206 4.134 4.340 0.000 0.000 0.209 353 L C 2.499 179.276 176.870 -0.154 0.000 1.083 353 L CA 0.835 55.583 54.840 -0.154 0.000 0.752 353 L CB -0.547 41.401 42.059 -0.185 0.000 0.899 353 L HN 0.077 nan 8.230 nan 0.000 0.433 354 V N -0.650 119.115 119.914 -0.249 0.000 2.427 354 V HA -0.243 3.878 4.120 0.000 0.000 0.248 354 V C 2.581 178.644 176.094 -0.053 0.000 1.051 354 V CA 1.396 63.606 62.300 -0.150 0.000 1.048 354 V CB -0.454 31.259 31.823 -0.183 0.000 0.666 354 V HN 0.477 nan 8.190 nan 0.000 0.456 355 Q N -0.313 119.461 119.800 -0.043 0.000 2.084 355 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 355 Q C 2.302 178.315 176.000 0.020 0.000 0.978 355 Q CA 1.557 57.368 55.803 0.013 0.000 0.844 355 Q CB -0.508 28.255 28.738 0.042 0.000 0.898 355 Q HN 0.527 nan 8.270 nan 0.000 0.426 356 L N 0.675 121.900 121.223 0.003 0.000 2.046 356 L HA -0.209 4.131 4.340 0.000 0.000 0.208 356 L C 2.294 179.179 176.870 0.024 0.000 1.077 356 L CA 1.233 56.084 54.840 0.018 0.000 0.747 356 L CB -0.352 41.709 42.059 0.005 0.000 0.896 356 L HN 0.270 nan 8.230 nan 0.000 0.432 357 E N -0.429 119.778 120.200 0.011 0.000 2.077 357 E HA -0.186 4.164 4.350 0.000 0.000 0.193 357 E C 2.277 178.893 176.600 0.027 0.000 0.989 357 E CA 1.537 57.953 56.400 0.027 0.000 0.800 357 E CB -0.077 29.645 29.700 0.036 0.000 0.746 357 E HN 0.356 nan 8.360 nan 0.000 0.452 358 S N 0.769 116.476 115.700 0.012 0.000 2.368 358 S HA -0.135 4.335 4.470 0.000 0.000 0.225 358 S C 2.047 176.661 174.600 0.023 0.000 1.030 358 S CA 0.836 59.033 58.200 -0.005 0.000 0.999 358 S CB -0.194 62.997 63.200 -0.014 0.000 0.844 358 S HN 0.183 nan 8.310 nan 0.000 0.459 359 I N 1.787 122.386 120.570 0.049 0.000 2.142 359 I HA -0.235 3.935 4.170 0.000 0.000 0.240 359 I C 2.736 178.904 176.117 0.084 0.000 1.078 359 I CA 1.246 62.593 61.300 0.077 0.000 1.343 359 I CB -0.514 37.538 38.000 0.086 0.000 1.046 359 I HN 0.274 nan 8.210 nan 0.000 0.405 360 A N 0.801 123.665 122.820 0.074 0.000 1.902 360 A HA -0.170 4.151 4.320 0.000 0.000 0.217 360 A C 2.299 179.944 177.584 0.101 0.000 1.181 360 A CA 1.550 53.636 52.037 0.082 0.000 0.623 360 A CB -0.864 18.176 19.000 0.067 0.000 0.818 360 A HN 0.396 nan 8.150 nan 0.000 0.443 361 I N -0.526 120.100 120.570 0.093 0.000 2.226 361 I HA -0.210 3.960 4.170 0.000 0.000 0.245 361 I C 2.545 178.761 176.117 0.166 0.000 1.100 361 I CA 1.679 63.060 61.300 0.135 0.000 1.374 361 I CB -0.480 37.579 38.000 0.098 0.000 1.057 361 I HN 0.249 nan 8.210 nan 0.000 0.413 362 T N 1.064 115.677 114.554 0.098 0.000 2.746 362 T HA -0.103 4.247 4.350 0.000 0.000 0.267 362 T C 1.919 176.734 174.700 0.192 0.000 1.039 362 T CA 1.328 63.492 62.100 0.107 0.000 1.142 362 T CB -0.226 68.679 68.868 0.062 0.000 0.866 362 T HN 0.234 nan 8.240 nan 0.000 0.444 363 I N 0.765 121.436 120.570 0.169 0.000 2.179 363 I HA -0.150 4.020 4.170 0.000 0.000 0.242 363 I C 2.445 178.672 176.117 0.184 0.000 1.088 363 I CA 1.000 62.406 61.300 0.175 0.000 1.357 363 I CB -0.407 37.676 38.000 0.138 0.000 1.051 363 I HN 0.094 nan 8.210 nan 0.000 0.409 364 V N 0.122 120.138 119.914 0.170 0.000 2.358 364 V HA -0.259 3.861 4.120 0.000 0.000 0.246 364 V C 2.103 178.308 176.094 0.184 0.000 1.047 364 V CA 1.558 63.942 62.300 0.141 0.000 1.035 364 V CB -0.693 31.192 31.823 0.103 0.000 0.658 364 V HN 0.608 nan 8.190 nan 0.000 0.452 365 W N 0.823 122.150 121.300 0.046 0.000 2.333 365 W HA -0.233 4.427 4.660 0.000 0.000 0.316 365 W C 2.874 179.436 176.519 0.072 0.000 1.215 365 W CA 2.407 59.769 57.345 0.028 0.000 1.278 365 W CB -0.682 28.779 29.460 0.001 0.000 1.154 365 W HN 0.356 nan 8.180 nan 0.000 0.486 366 S N 0.180 116.165 115.700 0.475 0.000 2.368 366 S HA -0.102 4.368 4.470 0.000 0.000 0.225 366 S C 2.067 176.948 174.600 0.469 0.000 1.030 366 S CA 2.104 60.611 58.200 0.512 0.000 0.999 366 S CB -0.918 62.609 63.200 0.544 0.000 0.844 366 S HN 0.305 nan 8.310 nan 0.000 0.459 367 G N 0.733 109.725 108.800 0.319 0.000 2.421 367 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 367 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 367 G C 1.495 176.544 174.900 0.248 0.000 1.171 367 G CA 1.053 46.308 45.100 0.259 0.000 0.775 367 G HN 0.463 nan 8.290 nan 0.000 0.543 368 V N 0.506 120.510 119.914 0.150 0.000 2.295 368 V HA -0.175 3.945 4.120 0.000 0.000 0.246 368 V C 3.033 179.227 176.094 0.166 0.000 1.049 368 V CA 1.579 63.940 62.300 0.101 0.000 1.024 368 V CB -0.463 31.323 31.823 -0.062 0.000 0.648 368 V HN 0.240 nan 8.190 nan 0.000 0.447 369 V N 0.168 120.152 119.914 0.117 0.000 2.358 369 V HA -0.229 3.891 4.120 0.000 0.000 0.246 369 V C 2.696 178.961 176.094 0.284 0.000 1.047 369 V CA 1.860 64.229 62.300 0.116 0.000 1.035 369 V CB -1.098 30.743 31.823 0.031 0.000 0.658 369 V HN 0.556 nan 8.190 nan 0.000 0.452 370 A N -0.202 122.911 122.820 0.488 0.000 1.883 370 A HA -0.280 4.040 4.320 0.000 0.000 0.217 370 A C 2.125 179.946 177.584 0.396 0.000 1.186 370 A CA 2.219 54.549 52.037 0.488 0.000 0.624 370 A CB -0.792 18.486 19.000 0.463 0.000 0.822 370 A HN 0.537 nan 8.150 nan 0.000 0.444 371 F N 0.643 120.774 119.950 0.301 0.000 2.095 371 F HA -0.191 4.336 4.527 0.000 0.000 0.298 371 F C 1.972 177.906 175.800 0.223 0.000 1.104 371 F CA 1.897 60.074 58.000 0.295 0.000 1.232 371 F CB -0.273 38.838 39.000 0.185 0.000 0.987 371 F HN 0.192 nan 8.300 nan 0.000 0.475 372 I N 0.096 120.796 120.570 0.218 0.000 2.286 372 I HA -0.247 3.923 4.170 0.000 0.000 0.248 372 I C 2.689 178.804 176.117 -0.002 0.000 1.115 372 I CA 1.457 62.785 61.300 0.047 0.000 1.392 372 I CB -1.214 36.836 38.000 0.083 0.000 1.065 372 I HN 0.336 nan 8.210 nan 0.000 0.418 373 G N -0.294 108.530 108.800 0.041 0.000 2.403 373 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 373 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 373 G C 1.403 176.388 174.900 0.143 0.000 1.154 373 G CA 0.368 45.479 45.100 0.018 0.000 0.784 373 G HN 0.235 nan 8.290 nan 0.000 0.538 374 Y N 1.165 121.621 120.300 0.260 0.000 2.224 374 Y HA -0.008 4.542 4.550 0.000 0.000 0.289 374 Y C 2.786 178.638 175.900 -0.080 0.000 1.146 374 Y CA 1.025 59.156 58.100 0.053 0.000 1.182 374 Y CB -0.040 38.376 38.460 -0.073 0.000 0.983 374 Y HN 0.005 nan 8.280 nan 0.000 0.524 375 K N -0.133 120.228 120.400 -0.064 0.000 2.057 375 K HA -0.128 4.192 4.320 0.000 0.000 0.206 375 K C 2.159 178.723 176.600 -0.059 0.000 1.050 375 K CA 0.805 56.990 56.287 -0.169 0.000 0.935 375 K CB -0.918 31.339 32.500 -0.404 0.000 0.715 375 K HN 0.289 nan 8.250 nan 0.000 0.439 376 L N 1.184 122.390 121.223 -0.029 0.000 2.017 376 L HA -0.106 4.234 4.340 0.000 0.000 0.208 376 L C 2.176 179.060 176.870 0.023 0.000 1.073 376 L CA 2.011 56.849 54.840 -0.004 0.000 0.745 376 L CB -0.830 41.228 42.059 -0.002 0.000 0.894 376 L HN 0.134 nan 8.230 nan 0.000 0.432 377 A N -0.803 122.053 122.820 0.059 0.000 1.883 377 A HA -0.289 4.031 4.320 0.000 0.000 0.217 377 A C 2.137 179.750 177.584 0.049 0.000 1.186 377 A CA 2.007 54.090 52.037 0.076 0.000 0.624 377 A CB -1.079 18.003 19.000 0.135 0.000 0.822 377 A HN 0.554 nan 8.150 nan 0.000 0.444 378 D N -0.165 120.257 120.400 0.037 0.000 2.104 378 D HA -0.117 4.523 4.640 0.000 0.000 0.194 378 D C 1.823 178.125 176.300 0.005 0.000 0.994 378 D CA 1.250 55.256 54.000 0.011 0.000 0.830 378 D CB -0.252 40.540 40.800 -0.015 0.000 0.959 378 D HN 0.416 nan 8.370 nan 0.000 0.452 379 L N -0.233 120.990 121.223 -0.000 0.000 2.201 379 L HA -0.081 4.259 4.340 0.000 0.000 0.212 379 L C 2.372 179.246 176.870 0.007 0.000 1.105 379 L CA 1.510 56.349 54.840 -0.001 0.000 0.775 379 L CB -0.352 41.703 42.059 -0.006 0.000 0.913 379 L HN 0.196 nan 8.230 nan 0.000 0.440 380 T N -4.228 110.334 114.554 0.014 0.000 3.046 380 T HA 0.027 4.377 4.350 0.000 0.000 0.242 380 T C 1.361 176.075 174.700 0.023 0.000 1.018 380 T CA 0.837 62.948 62.100 0.017 0.000 1.131 380 T CB -0.017 68.864 68.868 0.021 0.000 0.904 380 T HN 0.158 nan 8.240 nan 0.000 0.459 381 V N -2.302 117.630 119.914 0.030 0.000 3.548 381 V HA 0.701 4.821 4.120 0.000 0.000 0.279 381 V C 0.894 177.005 176.094 0.029 0.000 1.446 381 V CA 0.058 62.379 62.300 0.034 0.000 1.023 381 V CB -0.425 31.428 31.823 0.050 0.000 0.820 381 V HN 0.978 nan 8.190 nan 0.000 0.438 382 G N 0.503 109.317 108.800 0.023 0.000 3.190 382 G HA2 -0.126 3.834 3.960 0.000 0.000 0.686 382 G HA3 -0.126 3.834 3.960 0.000 0.000 0.686 382 G C -0.268 174.641 174.900 0.017 0.000 1.033 382 G CA -0.019 45.089 45.100 0.014 0.000 0.797 382 G HN 0.311 nan 8.290 nan 0.000 0.567 383 L N 1.355 122.579 121.223 0.002 0.000 2.068 383 L HA 0.167 4.507 4.340 0.000 0.000 0.204 383 L C 2.192 179.050 176.870 -0.021 0.000 1.076 383 L CA 0.700 55.538 54.840 -0.004 0.000 0.753 383 L CB -0.067 41.969 42.059 -0.038 0.000 0.910 383 L HN 0.579 nan 8.230 nan 0.000 0.439 384 R N 0.550 121.030 120.500 -0.033 0.000 2.340 384 R HA 0.228 4.568 4.340 0.000 0.000 0.300 384 R C -0.194 176.092 176.300 -0.024 0.000 1.069 384 R CA -0.313 55.760 56.100 -0.044 0.000 0.984 384 R CB 1.219 31.486 30.300 -0.055 0.000 1.003 384 R HN -0.112 nan 8.270 nan 0.000 0.459 385 V N 0.000 119.900 119.914 -0.024 0.000 2.409 385 V HA 0.000 4.120 4.120 0.000 0.000 0.244 385 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 385 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 385 V HN 0.000 nan 8.190 nan 0.000 0.556