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 1t6g_1_A DATA FIRST_RESID 1 DATA SEQUENCE LPVLAPVTKD PATSLYTIPF HDGASLVLDV AGPLVWSTcD GGQPPAEIPC DATA SEQUENCE SSPTcLLANA YPAPGcPAXX XXXXXXXXPc TAYPYNPVSG AcAAGSLSHT DATA SEQUENCE RFVANTTDGS KPVSKVNVGV LAAcAPSKLL ASLPRGSTGV AGLANSGLAL DATA SEQUENCE PAQVASAQKV ANRFLLcLPT GGPGVAIFGG GPVPWPQFTQ SMPYTPLVTK DATA SEQUENCE GGSPAHYISA RSIVVGDTRV PVPEGALATG GVMLSTRLPY VLLRPDVYRP DATA SEQUENCE LMDAFTKALA AQXXXGAPVA RAVEAVAPFG VcYDTKTLGN NLGGYAVPNV DATA SEQUENCE QLGLDGGSDW TMTGKNSMVD VKQGTAcVAF VEMKGVAAGD GRAPAVILGG DATA SEQUENCE AQMEDFVLDF DMEKKRLGFS RLPHFTGcGG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.897 176.870 0.046 0.000 1.165 1 L CA 0.000 54.855 54.840 0.025 0.000 0.813 1 L CB 0.000 42.066 42.059 0.012 0.000 0.961 2 P HA 0.249 nan 4.420 nan 0.000 0.270 2 P C -1.033 176.327 177.300 0.100 0.000 1.227 2 P CA -0.206 62.951 63.100 0.096 0.000 0.788 2 P CB 0.470 32.218 31.700 0.080 0.000 0.926 3 V N 2.450 122.469 119.914 0.175 0.000 2.435 3 V HA 0.357 4.477 4.120 -0.001 0.000 0.290 3 V C -0.007 176.231 176.094 0.240 0.000 1.030 3 V CA -0.541 61.861 62.300 0.171 0.000 0.881 3 V CB 1.236 33.176 31.823 0.194 0.000 0.983 3 V HN 0.343 nan 8.190 nan 0.000 0.445 4 L N 4.942 126.249 121.223 0.140 0.000 2.322 4 L HA 0.965 5.304 4.340 -0.001 0.000 0.281 4 L C -0.100 176.872 176.870 0.170 0.000 1.014 4 L CA -0.062 54.863 54.840 0.142 0.000 0.815 4 L CB 1.375 43.484 42.059 0.083 0.000 1.247 4 L HN 0.767 nan 8.230 nan 0.000 0.421 5 A N 6.000 128.964 122.820 0.240 0.000 2.414 5 A HA 0.923 5.243 4.320 -0.001 0.000 0.306 5 A C -2.906 174.792 177.584 0.190 0.000 1.054 5 A CA -1.435 50.752 52.037 0.250 0.000 0.724 5 A CB 1.447 20.712 19.000 0.442 0.000 1.267 5 A HN 0.569 nan 8.150 nan 0.000 0.418 6 P HA 0.383 nan 4.420 nan 0.000 0.279 6 P C -0.698 176.680 177.300 0.131 0.000 1.239 6 P CA -0.098 63.078 63.100 0.127 0.000 0.789 6 P CB 1.315 33.076 31.700 0.102 0.000 0.933 7 V N 3.315 123.299 119.914 0.117 0.000 2.398 7 V HA 0.338 4.457 4.120 -0.001 0.000 0.286 7 V C 0.465 176.633 176.094 0.124 0.000 1.026 7 V CA -0.113 62.262 62.300 0.126 0.000 0.868 7 V CB 1.566 33.459 31.823 0.116 0.000 0.982 7 V HN 0.550 nan 8.190 nan 0.000 0.443 8 T N 4.962 119.590 114.554 0.122 0.000 2.797 8 T HA 0.336 4.686 4.350 -0.001 0.000 0.279 8 T C -0.213 174.546 174.700 0.099 0.000 0.991 8 T CA -0.549 61.608 62.100 0.094 0.000 0.979 8 T CB 1.151 70.052 68.868 0.055 0.000 0.943 8 T HN 0.628 nan 8.240 nan 0.000 0.444 9 K N 2.933 123.380 120.400 0.079 0.000 2.285 9 K HA 0.157 4.477 4.320 -0.001 0.000 0.286 9 K C -0.474 176.065 176.600 -0.102 0.000 1.072 9 K CA -0.545 55.694 56.287 -0.081 0.000 0.913 9 K CB 0.451 32.928 32.500 -0.039 0.000 1.067 9 K HN 0.521 nan 8.250 nan 0.000 0.479 10 D N 5.866 126.175 120.400 -0.152 0.000 2.371 10 D HA 0.070 4.709 4.640 -0.001 0.000 0.256 10 D C -1.781 174.462 176.300 -0.094 0.000 1.193 10 D CA -1.928 52.013 54.000 -0.099 0.000 0.881 10 D CB 1.429 42.168 40.800 -0.102 0.000 1.143 10 D HN 0.316 nan 8.370 nan 0.000 0.473 11 P HA -0.152 nan 4.420 nan 0.000 0.215 11 P C 0.900 178.180 177.300 -0.033 0.000 1.157 11 P CA 1.546 64.623 63.100 -0.037 0.000 0.868 11 P CB 0.107 31.797 31.700 -0.017 0.000 0.788 12 A N -0.709 122.093 122.820 -0.031 0.000 1.930 12 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 12 A C 2.136 179.703 177.584 -0.029 0.000 1.175 12 A CA 2.523 54.547 52.037 -0.021 0.000 0.627 12 A CB -1.732 17.258 19.000 -0.017 0.000 0.815 12 A HN 0.373 nan 8.150 nan 0.000 0.443 13 T N -5.803 108.718 114.554 -0.055 0.000 3.001 13 T HA 0.243 4.593 4.350 -0.001 0.000 0.251 13 T C 0.817 175.457 174.700 -0.099 0.000 1.040 13 T CA 1.001 63.062 62.100 -0.066 0.000 0.985 13 T CB 0.057 68.879 68.868 -0.077 0.000 1.011 13 T HN 0.649 nan 8.240 nan 0.000 0.509 14 S N 0.433 116.049 115.700 -0.139 0.000 3.261 14 S HA -0.129 4.341 4.470 -0.001 0.000 0.287 14 S C 0.188 174.514 174.600 -0.457 0.000 1.281 14 S CA 0.529 58.590 58.200 -0.232 0.000 1.053 14 S CB -2.206 60.925 63.200 -0.115 0.000 1.251 14 S HN 0.673 nan 8.310 nan 0.000 0.659 15 L N 0.514 121.517 121.223 -0.366 0.000 2.421 15 L HA 0.520 4.860 4.340 -0.001 0.000 0.263 15 L C 0.138 176.710 176.870 -0.497 0.000 1.122 15 L CA -0.598 54.017 54.840 -0.375 0.000 0.804 15 L CB 0.373 42.330 42.059 -0.170 0.000 1.150 15 L HN 0.159 nan 8.230 nan 0.000 0.457 16 Y N -0.416 119.863 120.300 -0.036 0.000 2.341 16 Y HA 0.490 5.040 4.550 -0.000 0.000 0.337 16 Y C 0.524 176.400 175.900 -0.040 0.000 1.014 16 Y CA -0.855 57.231 58.100 -0.023 0.000 1.111 16 Y CB 1.790 40.245 38.460 -0.008 0.000 1.194 16 Y HN 0.509 nan 8.280 nan 0.000 0.462 17 T N 1.607 116.217 114.554 0.093 0.000 2.924 17 T HA 0.863 5.213 4.350 -0.001 0.000 0.291 17 T C -0.654 174.089 174.700 0.072 0.000 1.045 17 T CA -0.875 61.245 62.100 0.034 0.000 1.015 17 T CB 1.537 70.399 68.868 -0.009 0.000 1.103 17 T HN 0.615 nan 8.240 nan 0.000 0.496 18 I N -1.604 119.002 120.570 0.061 0.000 2.740 18 I HA 0.734 4.904 4.170 -0.001 0.000 0.303 18 I C -3.069 173.129 176.117 0.135 0.000 1.044 18 I CA -3.446 57.931 61.300 0.130 0.000 1.064 18 I CB 2.142 40.264 38.000 0.204 0.000 1.249 18 I HN 0.318 nan 8.210 nan 0.000 0.433 19 P HA 0.135 nan 4.420 nan 0.000 0.271 19 P C -0.607 176.878 177.300 0.307 0.000 1.216 19 P CA 0.042 63.249 63.100 0.179 0.000 0.776 19 P CB 0.664 32.451 31.700 0.144 0.000 0.881 20 F N 2.519 122.486 119.950 0.029 0.000 2.480 20 F HA 0.182 4.708 4.527 -0.001 0.000 0.280 20 F C 1.009 176.840 175.800 0.051 0.000 1.002 20 F CA 1.161 59.168 58.000 0.011 0.000 1.325 20 F CB 0.280 39.099 39.000 -0.300 0.000 1.134 20 F HN 0.485 nan 8.300 nan 0.000 0.646 21 H N -3.043 116.082 119.070 0.093 0.000 2.917 21 H HA 0.199 4.754 4.556 -0.001 0.000 0.299 21 H C -0.884 174.471 175.328 0.044 0.000 1.418 21 H CA -0.435 55.599 56.048 -0.023 0.000 1.138 21 H CB 0.255 29.931 29.762 -0.143 0.000 1.830 21 H HN -0.070 nan 8.280 nan 0.000 0.514 22 D N 0.099 120.645 120.400 0.243 0.000 2.792 22 D HA -0.176 4.464 4.640 -0.001 0.000 0.231 22 D C 1.414 177.802 176.300 0.147 0.000 1.160 22 D CA 2.524 56.627 54.000 0.172 0.000 0.697 22 D CB -1.292 39.627 40.800 0.199 0.000 1.070 22 D HN 1.093 nan 8.370 nan 0.000 0.426 23 G N -1.412 107.458 108.800 0.118 0.000 2.228 23 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.270 23 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.270 23 G C 0.575 175.528 174.900 0.089 0.000 0.976 23 G CA 0.553 45.706 45.100 0.089 0.000 0.636 23 G HN 1.215 nan 8.290 nan 0.000 0.542 24 A N 0.181 123.072 122.820 0.118 0.000 2.425 24 A HA 0.700 5.020 4.320 -0.001 0.000 0.249 24 A C 0.784 178.401 177.584 0.056 0.000 1.084 24 A CA 1.074 53.159 52.037 0.080 0.000 0.781 24 A CB 0.501 19.561 19.000 0.101 0.000 1.019 24 A HN 1.964 nan 8.150 nan 0.000 0.490 25 S N 1.941 117.645 115.700 0.008 0.000 2.607 25 S HA 0.831 5.301 4.470 -0.001 0.000 0.303 25 S C -0.621 173.903 174.600 -0.127 0.000 1.086 25 S CA -0.745 57.447 58.200 -0.013 0.000 0.995 25 S CB 1.030 64.227 63.200 -0.005 0.000 1.084 25 S HN 0.610 nan 8.310 nan 0.000 0.507 26 L N 1.564 122.679 121.223 -0.180 0.000 2.354 26 L HA 0.580 4.920 4.340 -0.001 0.000 0.269 26 L C -0.792 175.928 176.870 -0.251 0.000 1.005 26 L CA -1.342 53.295 54.840 -0.339 0.000 0.819 26 L CB 2.137 43.866 42.059 -0.550 0.000 1.311 26 L HN 0.503 nan 8.230 nan 0.000 0.423 27 V N 3.383 123.119 119.914 -0.296 0.000 2.488 27 V HA 0.168 4.288 4.120 -0.001 0.000 0.277 27 V C 0.380 176.359 176.094 -0.191 0.000 1.046 27 V CA -0.398 61.783 62.300 -0.199 0.000 0.986 27 V CB 1.166 32.866 31.823 -0.205 0.000 0.989 27 V HN 0.448 nan 8.190 nan 0.000 0.475 28 L N 4.737 125.909 121.223 -0.085 0.000 2.418 28 L HA 0.312 4.652 4.340 -0.001 0.000 0.274 28 L C -0.033 176.797 176.870 -0.067 0.000 1.135 28 L CA 0.142 54.934 54.840 -0.079 0.000 0.870 28 L CB 0.295 42.349 42.059 -0.009 0.000 1.154 28 L HN 0.639 nan 8.230 nan 0.000 0.462 29 D N 2.639 122.974 120.400 -0.109 0.000 2.420 29 D HA 0.175 4.815 4.640 -0.001 0.000 0.255 29 D C 0.670 176.927 176.300 -0.072 0.000 1.185 29 D CA -0.587 53.371 54.000 -0.069 0.000 0.904 29 D CB 1.706 42.468 40.800 -0.063 0.000 1.102 29 D HN 0.252 nan 8.370 nan 0.000 0.534 30 V N 1.975 121.859 119.914 -0.050 0.000 3.305 30 V HA 0.164 4.283 4.120 -0.001 0.000 0.269 30 V C 1.400 177.507 176.094 0.022 0.000 1.157 30 V CA 1.474 63.760 62.300 -0.024 0.000 1.157 30 V CB -0.498 31.311 31.823 -0.024 0.000 0.772 30 V HN 0.455 nan 8.190 nan 0.000 0.498 31 A N 0.356 123.160 122.820 -0.027 0.000 2.390 31 A HA 0.630 4.950 4.320 -0.001 0.000 0.232 31 A C 1.342 178.883 177.584 -0.073 0.000 1.233 31 A CA 0.450 52.442 52.037 -0.075 0.000 0.907 31 A CB -0.430 18.527 19.000 -0.072 0.000 0.967 31 A HN 0.723 nan 8.150 nan 0.000 0.512 32 G N 0.663 109.442 108.800 -0.036 0.000 2.353 32 G HA2 0.472 4.431 3.960 -0.001 0.000 0.284 32 G HA3 0.472 4.431 3.960 -0.001 0.000 0.284 32 G C -1.467 173.413 174.900 -0.033 0.000 1.172 32 G CA -1.023 44.081 45.100 0.006 0.000 0.854 32 G HN 0.089 nan 8.290 nan 0.000 0.485 33 P HA 0.122 nan 4.420 nan 0.000 0.245 33 P C 0.248 177.581 177.300 0.055 0.000 1.203 33 P CA 0.304 63.411 63.100 0.012 0.000 0.792 33 P CB 0.703 32.448 31.700 0.074 0.000 0.997 34 L N -0.592 120.679 121.223 0.080 0.000 2.341 34 L HA 0.449 4.789 4.340 -0.001 0.000 0.267 34 L C -0.208 176.672 176.870 0.017 0.000 1.009 34 L CA -1.382 53.510 54.840 0.087 0.000 0.819 34 L CB 2.725 44.892 42.059 0.180 0.000 1.323 34 L HN -0.417 nan 8.230 nan 0.000 0.425 35 V N 1.506 121.395 119.914 -0.042 0.000 2.407 35 V HA 0.397 4.517 4.120 -0.001 0.000 0.278 35 V C -0.668 175.412 176.094 -0.023 0.000 1.037 35 V CA -0.320 61.876 62.300 -0.175 0.000 0.900 35 V CB 1.025 32.701 31.823 -0.244 0.000 0.983 35 V HN 0.745 nan 8.190 nan 0.000 0.459 36 W N 3.774 124.951 121.300 -0.204 0.000 3.127 36 W HA 0.834 5.493 4.660 -0.001 0.000 0.330 36 W C -0.836 175.571 176.519 -0.187 0.000 1.187 36 W CA -0.806 56.448 57.345 -0.152 0.000 1.198 36 W CB 1.572 30.976 29.460 -0.093 0.000 1.408 36 W HN 0.626 nan 8.180 nan 0.000 0.529 37 S N 0.266 116.122 115.700 0.260 0.000 2.625 37 S HA 0.572 5.042 4.470 -0.001 0.000 0.271 37 S C -0.262 174.494 174.600 0.260 0.000 1.161 37 S CA -0.602 57.690 58.200 0.153 0.000 0.820 37 S CB 1.327 64.508 63.200 -0.032 0.000 1.137 37 S HN 0.715 nan 8.310 nan 0.000 0.470 38 T N -0.663 114.013 114.554 0.204 0.000 2.900 38 T HA 0.554 4.904 4.350 -0.001 0.000 0.307 38 T C 0.186 174.967 174.700 0.134 0.000 1.065 38 T CA -0.346 61.843 62.100 0.148 0.000 1.105 38 T CB -0.410 68.529 68.868 0.118 0.000 0.979 38 T HN 0.854 nan 8.240 nan 0.000 0.544 39 c N 2.567 121.230 118.600 0.105 0.000 3.080 39 c HA 0.834 5.404 4.570 -0.001 0.000 0.307 39 c C -0.178 173.956 174.090 0.073 0.000 1.311 39 c CA -0.665 55.725 56.329 0.102 0.000 1.533 39 c CB 1.899 44.461 42.510 0.087 0.000 1.970 39 c HN 1.185 nan 8.230 nan 0.000 0.467 40 D N -0.178 120.261 120.400 0.066 0.000 2.898 40 D HA 0.547 5.186 4.640 -0.001 0.000 0.266 40 D C 0.272 176.594 176.300 0.036 0.000 1.173 40 D CA -0.276 53.751 54.000 0.044 0.000 1.078 40 D CB -0.217 40.606 40.800 0.040 0.000 1.326 40 D HN 0.772 nan 8.370 nan 0.000 0.622 41 G N -2.617 106.198 108.800 0.025 0.000 2.594 41 G HA2 0.387 4.347 3.960 -0.001 0.000 0.243 41 G HA3 0.387 4.347 3.960 -0.001 0.000 0.243 41 G C 1.056 175.967 174.900 0.018 0.000 1.229 41 G CA 0.161 45.274 45.100 0.021 0.000 0.843 41 G HN 1.496 nan 8.290 nan 0.000 0.578 42 G N -0.636 108.175 108.800 0.018 0.000 2.168 42 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.263 42 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.263 42 G C 0.462 175.379 174.900 0.029 0.000 0.977 42 G CA 0.955 46.063 45.100 0.012 0.000 0.659 42 G HN 0.836 nan 8.290 nan 0.000 0.533 43 Q N 0.685 120.516 119.800 0.051 0.000 2.851 43 Q HA 0.356 4.696 4.340 -0.001 0.000 0.331 43 Q C -2.305 173.739 176.000 0.073 0.000 0.979 43 Q CA -1.452 54.400 55.803 0.083 0.000 0.955 43 Q CB 2.039 30.839 28.738 0.104 0.000 1.298 43 Q HN 0.429 nan 8.270 nan 0.000 0.432 44 P HA 0.205 nan 4.420 nan 0.000 0.274 44 P C -2.573 174.770 177.300 0.070 0.000 1.231 44 P CA -1.675 61.466 63.100 0.069 0.000 0.790 44 P CB 0.586 32.331 31.700 0.075 0.000 0.951 45 P HA 0.041 nan 4.420 nan 0.000 0.264 45 P C 0.042 177.354 177.300 0.021 0.000 1.193 45 P CA 0.485 63.587 63.100 0.004 0.000 0.763 45 P CB 0.092 31.791 31.700 -0.002 0.000 0.810 46 A N 3.471 126.248 122.820 -0.071 0.000 2.386 46 A HA 0.121 4.440 4.320 -0.001 0.000 0.246 46 A C 0.242 177.843 177.584 0.029 0.000 1.089 46 A CA -0.190 51.812 52.037 -0.058 0.000 0.790 46 A CB -0.100 18.693 19.000 -0.345 0.000 1.042 46 A HN 0.538 nan 8.150 nan 0.000 0.497 47 E N 0.397 120.652 120.200 0.092 0.000 2.232 47 E HA 0.373 4.723 4.350 -0.001 0.000 0.296 47 E C -1.076 175.546 176.600 0.037 0.000 1.372 47 E CA 0.490 56.926 56.400 0.061 0.000 1.527 47 E CB -0.224 29.521 29.700 0.075 0.000 1.424 47 E HN 0.440 nan 8.360 nan 0.000 0.485 48 I N 2.872 123.449 120.570 0.012 0.000 2.420 48 I HA 0.287 4.456 4.170 -0.001 0.000 0.282 48 I C -2.230 173.885 176.117 -0.003 0.000 1.019 48 I CA -2.588 58.713 61.300 0.002 0.000 1.130 48 I CB 1.600 39.590 38.000 -0.017 0.000 1.262 48 I HN 0.077 nan 8.210 nan 0.000 0.454 49 P HA 0.062 nan 4.420 nan 0.000 0.277 49 P C 0.600 177.898 177.300 -0.002 0.000 1.240 49 P CA -0.508 62.592 63.100 -0.000 0.000 0.798 49 P CB 1.118 32.821 31.700 0.004 0.000 0.979 50 C N 0.060 119.358 119.300 -0.003 0.000 2.551 50 C HA 0.163 4.622 4.460 -0.001 0.000 0.284 50 C C 1.576 176.566 174.990 -0.000 0.000 1.329 50 C CA 0.508 59.525 59.018 -0.002 0.000 1.683 50 C CB -2.180 25.560 27.740 0.000 0.000 1.730 50 C HN 0.540 nan 8.230 nan 0.000 0.591 51 S N 0.465 116.165 115.700 -0.000 0.000 2.505 51 S HA 0.141 4.611 4.470 -0.001 0.000 0.216 51 S C 0.793 175.392 174.600 -0.001 0.000 1.018 51 S CA 0.544 58.743 58.200 -0.001 0.000 0.911 51 S CB -0.623 62.577 63.200 -0.000 0.000 0.818 51 S HN 0.854 nan 8.310 nan 0.000 0.497 52 S N 3.156 118.857 115.700 0.001 0.000 2.576 52 S HA 0.198 4.668 4.470 -0.001 0.000 0.272 52 S C -1.158 173.442 174.600 0.001 0.000 1.352 52 S CA -0.736 57.466 58.200 0.003 0.000 1.021 52 S CB 0.392 63.595 63.200 0.006 0.000 0.887 52 S HN 0.110 nan 8.310 nan 0.000 0.542 53 P HA -0.108 nan 4.420 nan 0.000 0.216 53 P C 1.395 178.697 177.300 0.003 0.000 1.150 53 P CA 1.565 64.666 63.100 0.002 0.000 0.843 53 P CB -0.598 31.107 31.700 0.008 0.000 0.787 54 T N -0.831 113.727 114.554 0.007 0.000 2.788 54 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 54 T C 2.034 176.734 174.700 0.001 0.000 1.044 54 T CA 1.363 63.468 62.100 0.008 0.000 1.139 54 T CB -1.164 67.710 68.868 0.010 0.000 0.867 54 T HN 0.190 nan 8.240 nan 0.000 0.454 55 c N 1.145 119.743 118.600 -0.003 0.000 2.466 55 c HA 0.085 4.655 4.570 -0.001 0.000 0.278 55 c C 2.498 176.584 174.090 -0.006 0.000 1.288 55 c CA 0.197 56.523 56.329 -0.006 0.000 1.722 55 c CB -1.395 41.111 42.510 -0.006 0.000 2.017 55 c HN 0.367 nan 8.230 nan 0.000 0.488 56 L N 0.792 122.008 121.223 -0.013 0.000 2.083 56 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 56 L C 2.407 179.248 176.870 -0.048 0.000 1.083 56 L CA 1.531 56.354 54.840 -0.028 0.000 0.752 56 L CB -1.791 40.250 42.059 -0.030 0.000 0.899 56 L HN 0.369 nan 8.230 nan 0.000 0.433 57 L N 0.578 121.781 121.223 -0.032 0.000 2.046 57 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 57 L C 2.532 179.396 176.870 -0.011 0.000 1.077 57 L CA 2.053 56.875 54.840 -0.030 0.000 0.747 57 L CB -0.884 41.178 42.059 0.005 0.000 0.896 57 L HN 0.165 nan 8.230 nan 0.000 0.432 58 A N -0.848 121.976 122.820 0.008 0.000 2.070 58 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 58 A C 1.734 179.342 177.584 0.040 0.000 1.159 58 A CA 1.815 53.871 52.037 0.030 0.000 0.656 58 A CB -0.801 18.208 19.000 0.016 0.000 0.800 58 A HN 0.669 nan 8.150 nan 0.000 0.453 59 N N -0.953 117.754 118.700 0.011 0.000 2.214 59 N HA 0.372 5.111 4.740 -0.001 0.000 0.214 59 N C 1.163 176.627 175.510 -0.075 0.000 1.132 59 N CA 0.508 53.570 53.050 0.019 0.000 0.856 59 N CB 0.380 38.894 38.487 0.044 0.000 1.020 59 N HN 0.378 nan 8.380 nan 0.000 0.509 60 A N -0.105 122.606 122.820 -0.181 0.000 2.067 60 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 60 A C 0.012 177.210 177.584 -0.643 0.000 1.158 60 A CA 1.019 52.771 52.037 -0.475 0.000 0.661 60 A CB -0.271 18.302 19.000 -0.712 0.000 0.801 60 A HN 0.375 nan 8.150 nan 0.000 0.452 61 Y N 0.586 120.873 120.300 -0.021 0.000 2.562 61 Y HA 0.300 4.850 4.550 -0.001 0.000 0.363 61 Y C -2.238 173.613 175.900 -0.082 0.000 0.991 61 Y CA -2.549 55.523 58.100 -0.048 0.000 1.121 61 Y CB 0.181 38.615 38.460 -0.043 0.000 1.159 61 Y HN 0.152 nan 8.280 nan 0.000 0.651 62 P HA 0.101 nan 4.420 nan 0.000 0.265 62 P C 0.028 177.258 177.300 -0.116 0.000 1.193 62 P CA 0.137 63.202 63.100 -0.059 0.000 0.765 62 P CB 1.096 32.736 31.700 -0.099 0.000 0.823 63 A N 5.298 128.012 122.820 -0.176 0.000 2.371 63 A HA 0.366 4.686 4.320 -0.001 0.000 0.257 63 A C -1.076 176.406 177.584 -0.169 0.000 1.089 63 A CA -1.207 50.633 52.037 -0.328 0.000 0.794 63 A CB -0.667 18.072 19.000 -0.435 0.000 1.029 63 A HN 0.359 nan 8.150 nan 0.000 0.488 64 P HA -0.176 nan 4.420 nan 0.000 0.218 64 P C 1.159 178.432 177.300 -0.045 0.000 1.154 64 P CA 2.115 65.176 63.100 -0.066 0.000 0.872 64 P CB 0.109 31.794 31.700 -0.025 0.000 0.790 65 G N -2.377 106.415 108.800 -0.014 0.000 3.496 65 G HA2 0.206 4.165 3.960 -0.001 0.000 0.273 65 G HA3 0.206 4.165 3.960 -0.001 0.000 0.273 65 G C -0.486 174.381 174.900 -0.055 0.000 1.279 65 G CA 0.011 45.101 45.100 -0.017 0.000 1.041 65 G HN 0.281 nan 8.290 nan 0.000 0.539 66 c N 0.289 118.822 118.600 -0.112 0.000 2.727 66 c HA 0.406 4.976 4.570 -0.001 0.000 0.369 66 c C -1.407 172.506 174.090 -0.295 0.000 1.067 66 c CA -1.022 55.169 56.329 -0.230 0.000 1.273 66 c CB 2.152 44.534 42.510 -0.213 0.000 1.778 66 c HN 0.360 nan 8.230 nan 0.000 0.467 67 P HA 0.392 nan 4.420 nan 0.000 0.207 67 P C 0.084 177.204 177.300 -0.299 0.000 1.208 67 P CA 1.101 64.054 63.100 -0.245 0.000 0.908 67 P CB 0.449 32.045 31.700 -0.175 0.000 0.744 80 c N 1.408 119.989 118.600 -0.032 0.000 2.601 80 c HA 0.697 5.266 4.570 -0.001 0.000 0.409 80 c C 0.275 174.321 174.090 -0.074 0.000 1.293 80 c CA 0.696 57.001 56.329 -0.041 0.000 2.101 80 c CB -0.781 41.705 42.510 -0.040 0.000 2.639 80 c HN 0.612 nan 8.230 nan 0.000 0.592 81 T N 3.718 118.216 114.554 -0.092 0.000 2.864 81 T HA 0.687 5.037 4.350 -0.001 0.000 0.299 81 T C -0.250 174.284 174.700 -0.276 0.000 1.011 81 T CA -0.381 61.594 62.100 -0.209 0.000 0.975 81 T CB 1.213 69.941 68.868 -0.233 0.000 0.962 81 T HN 1.052 nan 8.240 nan 0.000 0.448 82 A N 2.585 125.229 122.820 -0.294 0.000 2.239 82 A HA 0.786 5.105 4.320 -0.001 0.000 0.303 82 A C -1.054 176.227 177.584 -0.505 0.000 1.114 82 A CA -0.941 50.968 52.037 -0.213 0.000 0.871 82 A CB 0.525 19.473 19.000 -0.088 0.000 1.201 82 A HN 0.884 nan 8.150 nan 0.000 0.506 83 Y N 0.546 120.811 120.300 -0.058 0.000 2.705 83 Y HA 0.294 4.844 4.550 -0.001 0.000 0.355 83 Y C -2.161 173.671 175.900 -0.112 0.000 1.039 83 Y CA -1.999 56.050 58.100 -0.085 0.000 1.233 83 Y CB 0.775 39.200 38.460 -0.058 0.000 1.103 83 Y HN 0.446 nan 8.280 nan 0.000 0.624 84 P HA -0.099 nan 4.420 nan 0.000 0.266 84 P C -0.974 176.114 177.300 -0.354 0.000 1.195 84 P CA 0.371 63.212 63.100 -0.432 0.000 0.768 84 P CB 1.092 32.176 31.700 -1.027 0.000 0.838 85 Y N 2.575 122.704 120.300 -0.285 0.000 2.350 85 Y HA 0.326 4.875 4.550 -0.001 0.000 0.338 85 Y C -0.197 175.795 175.900 0.154 0.000 0.961 85 Y CA -1.327 56.739 58.100 -0.056 0.000 1.100 85 Y CB 1.248 39.737 38.460 0.048 0.000 1.179 85 Y HN 0.276 nan 8.280 nan 0.000 0.454 86 N N 8.194 126.708 118.700 -0.311 0.000 2.411 86 N HA 0.197 4.936 4.740 -0.001 0.000 0.259 86 N C -2.177 172.982 175.510 -0.585 0.000 1.103 86 N CA -1.967 51.001 53.050 -0.137 0.000 0.954 86 N CB 1.650 40.101 38.487 -0.059 0.000 1.085 86 N HN 0.475 nan 8.380 nan 0.000 0.485 87 P HA -0.012 nan 4.420 nan 0.000 0.241 87 P C 1.006 178.197 177.300 -0.182 0.000 1.191 87 P CA 0.362 63.283 63.100 -0.297 0.000 0.771 87 P CB 0.700 32.385 31.700 -0.024 0.000 0.929 88 V N 0.804 120.623 119.914 -0.159 0.000 2.436 88 V HA -0.086 4.034 4.120 -0.001 0.000 0.240 88 V C 2.746 178.779 176.094 -0.101 0.000 1.040 88 V CA 2.217 64.455 62.300 -0.104 0.000 1.052 88 V CB -1.232 30.546 31.823 -0.076 0.000 0.707 88 V HN 0.251 nan 8.190 nan 0.000 0.469 89 S N 0.092 115.721 115.700 -0.119 0.000 2.478 89 S HA 0.204 4.674 4.470 -0.001 0.000 0.222 89 S C 1.782 176.319 174.600 -0.105 0.000 1.008 89 S CA 0.957 59.102 58.200 -0.091 0.000 0.928 89 S CB 0.478 63.635 63.200 -0.072 0.000 0.781 89 S HN 1.221 nan 8.310 nan 0.000 0.518 90 G N 1.130 109.794 108.800 -0.226 0.000 2.179 90 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.260 90 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.260 90 G C 0.284 175.135 174.900 -0.083 0.000 0.977 90 G CA 0.076 45.071 45.100 -0.175 0.000 0.641 90 G HN 1.314 nan 8.290 nan 0.000 0.533 91 A N -0.447 122.293 122.820 -0.134 0.000 2.425 91 A HA 0.639 4.958 4.320 -0.001 0.000 0.249 91 A C 1.018 178.568 177.584 -0.056 0.000 1.084 91 A CA 0.744 52.743 52.037 -0.064 0.000 0.781 91 A CB 0.111 19.068 19.000 -0.072 0.000 1.019 91 A HN 2.016 nan 8.150 nan 0.000 0.490 92 c N -0.374 118.232 118.600 0.010 0.000 3.154 92 c HA 1.035 5.604 4.570 -0.001 0.000 0.312 92 c C -0.064 174.017 174.090 -0.014 0.000 1.349 92 c CA -0.127 56.210 56.329 0.014 0.000 1.518 92 c CB 0.928 43.528 42.510 0.150 0.000 1.934 92 c HN 2.045 nan 8.230 nan 0.000 0.462 93 A N 0.351 123.155 122.820 -0.028 0.000 2.605 93 A HA 0.884 5.204 4.320 -0.001 0.000 0.294 93 A C -0.469 177.084 177.584 -0.053 0.000 1.062 93 A CA 0.128 52.154 52.037 -0.019 0.000 0.682 93 A CB 0.528 19.460 19.000 -0.114 0.000 1.278 93 A HN 2.608 nan 8.150 nan 0.000 0.410 94 A N 0.091 122.862 122.820 -0.081 0.000 2.440 94 A HA 0.660 4.980 4.320 -0.001 0.000 0.251 94 A C 0.602 177.983 177.584 -0.338 0.000 1.089 94 A CA 0.584 52.364 52.037 -0.427 0.000 0.779 94 A CB 0.020 18.864 19.000 -0.260 0.000 1.022 94 A HN 2.343 nan 8.150 nan 0.000 0.492 95 G N 0.448 109.000 108.800 -0.412 0.000 2.696 95 G HA2 0.570 4.529 3.960 -0.001 0.000 0.295 95 G HA3 0.570 4.529 3.960 -0.001 0.000 0.295 95 G C -0.450 174.320 174.900 -0.217 0.000 1.398 95 G CA 0.164 45.114 45.100 -0.251 0.000 0.920 95 G HN 1.391 nan 8.290 nan 0.000 0.492 96 S N 0.350 115.970 115.700 -0.134 0.000 2.616 96 S HA 0.695 5.164 4.470 -0.001 0.000 0.277 96 S C 0.046 174.599 174.600 -0.079 0.000 1.234 96 S CA -0.738 57.401 58.200 -0.103 0.000 1.028 96 S CB 1.270 64.428 63.200 -0.070 0.000 0.988 96 S HN 0.552 nan 8.310 nan 0.000 0.522 97 L N 2.532 123.707 121.223 -0.080 0.000 2.349 97 L HA 0.484 4.823 4.340 -0.001 0.000 0.275 97 L C 0.133 176.937 176.870 -0.111 0.000 1.115 97 L CA -0.185 54.606 54.840 -0.082 0.000 0.820 97 L CB 1.143 43.150 42.059 -0.087 0.000 1.135 97 L HN 0.779 nan 8.230 nan 0.000 0.445 98 S N 0.467 116.098 115.700 -0.114 0.000 2.588 98 S HA 0.467 4.937 4.470 -0.001 0.000 0.275 98 S C -1.007 173.503 174.600 -0.150 0.000 1.130 98 S CA -0.875 57.251 58.200 -0.123 0.000 0.855 98 S CB 1.624 64.822 63.200 -0.003 0.000 1.116 98 S HN 0.435 nan 8.310 nan 0.000 0.472 99 H N 1.213 120.317 119.070 0.058 0.000 2.646 99 H HA 0.558 5.113 4.556 -0.001 0.000 0.325 99 H C 0.153 175.534 175.328 0.087 0.000 1.075 99 H CA 0.285 56.372 56.048 0.065 0.000 1.421 99 H CB 1.358 31.145 29.762 0.042 0.000 1.461 99 H HN 0.495 nan 8.280 nan 0.000 0.525 100 T N 2.798 117.491 114.554 0.230 0.000 2.812 100 T HA 0.444 4.794 4.350 -0.001 0.000 0.294 100 T C -0.876 173.927 174.700 0.172 0.000 1.159 100 T CA -0.977 61.262 62.100 0.231 0.000 1.008 100 T CB 1.267 70.358 68.868 0.372 0.000 1.289 100 T HN 0.468 nan 8.240 nan 0.000 0.514 101 R N 1.710 122.272 120.500 0.103 0.000 2.534 101 R HA 0.484 4.823 4.340 -0.001 0.000 0.301 101 R C -1.425 174.722 176.300 -0.255 0.000 0.961 101 R CA -0.726 55.364 56.100 -0.016 0.000 0.871 101 R CB 0.938 31.204 30.300 -0.057 0.000 1.170 101 R HN 0.565 nan 8.270 nan 0.000 0.446 102 F N 3.528 123.206 119.950 -0.452 0.000 2.361 102 F HA 0.362 4.888 4.527 -0.001 0.000 0.364 102 F C -0.786 174.839 175.800 -0.292 0.000 1.120 102 F CA -1.488 56.125 58.000 -0.646 0.000 1.102 102 F CB 0.947 39.791 39.000 -0.260 0.000 1.183 102 F HN 0.118 nan 8.300 nan 0.000 0.476 103 V N 7.118 126.836 119.914 -0.327 0.000 2.347 103 V HA 0.871 4.991 4.120 -0.001 0.000 0.280 103 V C 0.120 176.001 176.094 -0.356 0.000 1.021 103 V CA 0.099 62.225 62.300 -0.291 0.000 0.847 103 V CB 0.204 31.957 31.823 -0.118 0.000 0.990 103 V HN 1.063 nan 8.190 nan 0.000 0.444 104 A N 4.962 127.538 122.820 -0.407 0.000 3.742 104 A HA 0.791 5.111 4.320 -0.001 0.000 0.282 104 A C -1.015 176.462 177.584 -0.179 0.000 1.117 104 A CA -0.784 51.061 52.037 -0.319 0.000 0.624 104 A CB 1.185 19.847 19.000 -0.564 0.000 1.548 104 A HN 0.669 nan 8.150 nan 0.000 0.723 105 N N -0.566 118.066 118.700 -0.113 0.000 2.292 105 N HA 0.604 5.343 4.740 -0.001 0.000 0.303 105 N C -0.482 175.003 175.510 -0.041 0.000 1.140 105 N CA -0.066 52.949 53.050 -0.059 0.000 0.788 105 N CB 1.953 40.430 38.487 -0.016 0.000 1.361 105 N HN 0.812 nan 8.380 nan 0.000 0.489 106 T N -2.072 112.465 114.554 -0.027 0.000 2.816 106 T HA 0.500 4.849 4.350 -0.001 0.000 0.282 106 T C 0.057 174.759 174.700 0.004 0.000 0.993 106 T CA -0.434 61.663 62.100 -0.005 0.000 0.994 106 T CB 1.412 70.276 68.868 -0.006 0.000 1.025 106 T HN 0.337 nan 8.240 nan 0.000 0.529 107 T N -0.077 114.481 114.554 0.008 0.000 2.956 107 T HA 0.377 4.726 4.350 -0.001 0.000 0.312 107 T C -0.654 174.036 174.700 -0.017 0.000 1.151 107 T CA -0.645 61.452 62.100 -0.004 0.000 1.024 107 T CB 1.384 70.250 68.868 -0.004 0.000 1.140 107 T HN 0.770 nan 8.240 nan 0.000 0.473 108 D N 1.856 122.238 120.400 -0.029 0.000 2.342 108 D HA 0.376 5.016 4.640 -0.001 0.000 0.221 108 D C 1.109 177.365 176.300 -0.073 0.000 1.101 108 D CA 0.431 54.407 54.000 -0.040 0.000 0.837 108 D CB 0.379 41.161 40.800 -0.031 0.000 0.938 108 D HN 0.766 nan 8.370 nan 0.000 0.508 109 G N 0.239 108.978 108.800 -0.102 0.000 2.838 109 G HA2 0.033 3.992 3.960 -0.001 0.000 0.118 109 G HA3 0.033 3.992 3.960 -0.001 0.000 0.118 109 G C 0.567 175.312 174.900 -0.258 0.000 1.028 109 G CA 0.233 45.220 45.100 -0.188 0.000 1.360 109 G HN 0.331 nan 8.290 nan 0.000 0.575 110 S N -0.428 115.138 115.700 -0.224 0.000 2.649 110 S HA 0.419 4.889 4.470 -0.001 0.000 0.246 110 S C 0.240 174.861 174.600 0.036 0.000 1.057 110 S CA 0.023 58.143 58.200 -0.133 0.000 1.051 110 S CB 0.689 63.791 63.200 -0.163 0.000 1.018 110 S HN 0.254 nan 8.310 nan 0.000 0.569 111 K N 3.194 123.603 120.400 0.015 0.000 2.123 111 K HA 0.575 4.895 4.320 -0.001 0.000 0.259 111 K C -2.997 173.617 176.600 0.024 0.000 0.960 111 K CA -2.774 53.537 56.287 0.041 0.000 0.872 111 K CB 0.521 33.042 32.500 0.035 0.000 1.079 111 K HN 0.139 nan 8.250 nan 0.000 0.440 112 P HA 0.090 nan 4.420 nan 0.000 0.271 112 P C 0.173 177.478 177.300 0.009 0.000 1.218 112 P CA -0.183 62.929 63.100 0.019 0.000 0.780 112 P CB 0.904 32.618 31.700 0.023 0.000 0.901 113 V N 1.022 120.936 119.914 0.001 0.000 3.001 113 V HA 0.136 4.256 4.120 -0.001 0.000 0.228 113 V C 0.763 176.853 176.094 -0.006 0.000 1.204 113 V CA 0.981 63.279 62.300 -0.003 0.000 1.247 113 V CB -0.015 31.804 31.823 -0.006 0.000 1.093 113 V HN 0.542 nan 8.190 nan 0.000 0.504 114 S N -0.293 115.400 115.700 -0.012 0.000 2.549 114 S HA 0.462 4.931 4.470 -0.001 0.000 0.280 114 S C -0.709 173.873 174.600 -0.029 0.000 1.109 114 S CA -0.630 57.559 58.200 -0.017 0.000 0.905 114 S CB 2.414 65.604 63.200 -0.017 0.000 1.081 114 S HN 0.376 nan 8.310 nan 0.000 0.477 115 K N 1.132 121.512 120.400 -0.033 0.000 2.469 115 K HA 0.351 4.671 4.320 -0.001 0.000 0.274 115 K C -0.898 175.665 176.600 -0.062 0.000 0.983 115 K CA 0.023 56.280 56.287 -0.050 0.000 0.974 115 K CB 0.325 32.799 32.500 -0.044 0.000 0.913 115 K HN 0.395 nan 8.250 nan 0.000 0.493 116 V N 4.122 123.979 119.914 -0.095 0.000 2.888 116 V HA 0.337 4.456 4.120 -0.001 0.000 0.309 116 V C -1.582 174.425 176.094 -0.144 0.000 1.114 116 V CA -0.795 61.443 62.300 -0.103 0.000 0.940 116 V CB 2.156 33.920 31.823 -0.100 0.000 1.021 116 V HN 0.973 nan 8.190 nan 0.000 0.426 117 N N 4.290 122.925 118.700 -0.109 0.000 2.479 117 N HA 0.517 5.257 4.740 -0.001 0.000 0.261 117 N C -1.278 174.188 175.510 -0.074 0.000 0.979 117 N CA -0.336 52.648 53.050 -0.109 0.000 0.930 117 N CB 2.100 40.541 38.487 -0.076 0.000 1.172 117 N HN 0.452 nan 8.380 nan 0.000 0.499 118 V N 1.325 121.196 119.914 -0.071 0.000 2.370 118 V HA 0.412 4.532 4.120 -0.001 0.000 0.279 118 V C 0.940 177.072 176.094 0.063 0.000 1.029 118 V CA -0.840 61.468 62.300 0.013 0.000 0.870 118 V CB 1.374 33.239 31.823 0.069 0.000 0.984 118 V HN 0.651 nan 8.190 nan 0.000 0.451 119 G N 3.803 112.641 108.800 0.063 0.000 2.364 119 G HA2 0.521 4.481 3.960 -0.001 0.000 0.267 119 G HA3 0.521 4.481 3.960 -0.001 0.000 0.267 119 G C -0.352 174.625 174.900 0.129 0.000 1.233 119 G CA -0.003 45.152 45.100 0.092 0.000 0.885 119 G HN 1.082 nan 8.290 nan 0.000 0.490 120 V N 1.283 121.295 119.914 0.163 0.000 3.007 120 V HA 0.664 4.783 4.120 -0.001 0.000 0.311 120 V C -0.254 175.928 176.094 0.146 0.000 1.120 120 V CA -1.432 60.959 62.300 0.152 0.000 0.980 120 V CB 1.896 33.813 31.823 0.157 0.000 1.033 120 V HN 0.587 nan 8.190 nan 0.000 0.429 121 L N 3.396 124.669 121.223 0.084 0.000 2.281 121 L HA 0.782 5.121 4.340 -0.001 0.000 0.285 121 L C 0.475 177.362 176.870 0.029 0.000 1.074 121 L CA 0.022 54.872 54.840 0.018 0.000 0.817 121 L CB 1.194 43.240 42.059 -0.021 0.000 1.168 121 L HN 1.076 nan 8.230 nan 0.000 0.434 122 A N 3.591 126.432 122.820 0.036 0.000 2.374 122 A HA 0.832 5.152 4.320 -0.001 0.000 0.317 122 A C -0.382 177.228 177.584 0.043 0.000 1.094 122 A CA -0.566 51.498 52.037 0.046 0.000 0.765 122 A CB 1.566 20.607 19.000 0.069 0.000 1.268 122 A HN 0.733 nan 8.150 nan 0.000 0.438 123 A N 0.333 123.197 122.820 0.073 0.000 2.401 123 A HA 0.482 4.801 4.320 -0.001 0.000 0.259 123 A C 0.010 177.642 177.584 0.079 0.000 1.103 123 A CA -0.133 51.930 52.037 0.044 0.000 0.789 123 A CB -0.293 18.721 19.000 0.022 0.000 1.035 123 A HN 0.956 nan 8.150 nan 0.000 0.491 124 c N 2.922 121.534 118.600 0.020 0.000 2.303 124 c HA 0.635 5.205 4.570 -0.001 0.000 0.341 124 c C 1.036 175.117 174.090 -0.016 0.000 1.244 124 c CA -0.112 56.240 56.329 0.038 0.000 1.765 124 c CB -0.757 41.766 42.510 0.021 0.000 2.379 124 c HN 0.939 nan 8.230 nan 0.000 0.530 125 A N 6.625 129.455 122.820 0.018 0.000 2.320 125 A HA 0.908 5.228 4.320 -0.001 0.000 0.334 125 A C -2.440 175.118 177.584 -0.042 0.000 1.147 125 A CA -1.251 50.720 52.037 -0.110 0.000 0.820 125 A CB 0.550 19.363 19.000 -0.312 0.000 1.218 125 A HN 0.669 nan 8.150 nan 0.000 0.482 126 P HA 0.113 nan 4.420 nan 0.000 0.274 126 P C 0.844 178.141 177.300 -0.005 0.000 1.231 126 P CA 0.095 63.173 63.100 -0.036 0.000 0.790 126 P CB 1.105 32.773 31.700 -0.054 0.000 0.951 127 S N 2.471 118.183 115.700 0.020 0.000 2.440 127 S HA -0.228 4.241 4.470 -0.001 0.000 0.238 127 S C 1.551 176.169 174.600 0.031 0.000 1.010 127 S CA 1.238 59.463 58.200 0.041 0.000 0.972 127 S CB -0.957 62.264 63.200 0.035 0.000 0.774 127 S HN 0.638 nan 8.310 nan 0.000 0.501 128 K N 1.281 121.684 120.400 0.005 0.000 2.211 128 K HA 0.030 4.349 4.320 -0.001 0.000 0.204 128 K C 1.956 178.554 176.600 -0.004 0.000 1.047 128 K CA 1.235 57.520 56.287 -0.003 0.000 0.935 128 K CB -0.603 31.887 32.500 -0.017 0.000 0.728 128 K HN 0.368 nan 8.250 nan 0.000 0.452 129 L N 1.221 122.431 121.223 -0.021 0.000 2.456 129 L HA -0.019 4.320 4.340 -0.001 0.000 0.224 129 L C 1.950 178.903 176.870 0.138 0.000 1.148 129 L CA 0.624 55.443 54.840 -0.034 0.000 0.825 129 L CB -0.219 41.673 42.059 -0.279 0.000 0.937 129 L HN 0.309 nan 8.230 nan 0.000 0.450 130 L N -0.357 120.949 121.223 0.138 0.000 2.478 130 L HA 0.064 4.403 4.340 -0.001 0.000 0.223 130 L C 1.432 178.341 176.870 0.065 0.000 1.140 130 L CA -0.358 54.564 54.840 0.137 0.000 0.842 130 L CB -0.439 41.677 42.059 0.095 0.000 0.953 130 L HN 0.139 nan 8.230 nan 0.000 0.452 131 A N -0.429 122.415 122.820 0.040 0.000 2.540 131 A HA 0.220 4.540 4.320 -0.001 0.000 0.239 131 A C 1.273 178.860 177.584 0.005 0.000 1.061 131 A CA 0.701 52.746 52.037 0.014 0.000 0.758 131 A CB 0.223 19.224 19.000 0.003 0.000 0.991 131 A HN 0.364 nan 8.150 nan 0.000 0.502 132 S N -0.735 114.961 115.700 -0.007 0.000 2.857 132 S HA -0.145 4.324 4.470 -0.001 0.000 0.268 132 S C 0.304 174.887 174.600 -0.028 0.000 1.297 132 S CA 1.290 59.478 58.200 -0.019 0.000 1.280 132 S CB -2.135 61.049 63.200 -0.027 0.000 1.562 132 S HN 0.699 nan 8.310 nan 0.000 0.661 133 L N 1.522 122.732 121.223 -0.022 0.000 2.416 133 L HA 0.465 4.804 4.340 -0.001 0.000 0.262 133 L C -2.046 174.797 176.870 -0.045 0.000 1.093 133 L CA -2.321 52.492 54.840 -0.045 0.000 0.801 133 L CB -0.044 41.983 42.059 -0.053 0.000 1.191 133 L HN -0.098 nan 8.230 nan 0.000 0.459 134 P HA 0.087 nan 4.420 nan 0.000 0.269 134 P C -0.877 176.402 177.300 -0.035 0.000 1.215 134 P CA -0.253 62.816 63.100 -0.051 0.000 0.780 134 P CB 0.367 32.029 31.700 -0.063 0.000 0.898 135 R N 1.734 122.220 120.500 -0.024 0.000 2.538 135 R HA 0.249 4.588 4.340 -0.001 0.000 0.282 135 R C 1.404 177.697 176.300 -0.011 0.000 1.009 135 R CA 1.148 57.240 56.100 -0.012 0.000 1.063 135 R CB -0.709 29.587 30.300 -0.007 0.000 0.945 135 R HN 0.900 nan 8.270 nan 0.000 0.414 136 G N 1.770 110.567 108.800 -0.005 0.000 2.195 136 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.246 136 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.246 136 G C 0.046 174.939 174.900 -0.012 0.000 0.984 136 G CA 0.110 45.211 45.100 0.001 0.000 0.633 136 G HN 0.560 nan 8.290 nan 0.000 0.525 137 S N 0.499 116.178 115.700 -0.035 0.000 2.565 137 S HA 0.530 5.000 4.470 -0.001 0.000 0.274 137 S C 1.235 175.793 174.600 -0.070 0.000 1.309 137 S CA 0.517 58.672 58.200 -0.075 0.000 1.043 137 S CB 1.508 64.641 63.200 -0.112 0.000 0.939 137 S HN 0.950 nan 8.310 nan 0.000 0.504 138 T N -0.956 113.536 114.554 -0.103 0.000 3.084 138 T HA 0.575 4.925 4.350 -0.001 0.000 0.270 138 T C 0.631 175.231 174.700 -0.167 0.000 1.008 138 T CA 0.128 62.189 62.100 -0.065 0.000 0.900 138 T CB 0.142 69.007 68.868 -0.005 0.000 1.084 138 T HN 0.841 nan 8.240 nan 0.000 0.538 139 G N 0.366 108.923 108.800 -0.405 0.000 2.360 139 G HA2 0.446 4.406 3.960 -0.001 0.000 0.276 139 G HA3 0.446 4.406 3.960 -0.001 0.000 0.276 139 G C -2.184 172.078 174.900 -1.063 0.000 1.256 139 G CA -0.308 44.228 45.100 -0.941 0.000 0.890 139 G HN 0.327 nan 8.290 nan 0.000 0.486 140 V N 0.622 119.645 119.914 -1.485 0.000 2.588 140 V HA 0.717 4.836 4.120 -0.001 0.000 0.304 140 V C 0.310 175.941 176.094 -0.773 0.000 1.042 140 V CA -0.133 61.551 62.300 -1.026 0.000 0.877 140 V CB 1.454 32.663 31.823 -1.023 0.000 0.996 140 V HN 1.633 nan 8.190 nan 0.000 0.425 141 A N 3.632 126.122 122.820 -0.549 0.000 2.366 141 A HA 0.682 5.002 4.320 -0.001 0.000 0.322 141 A C 0.685 178.070 177.584 -0.331 0.000 1.397 141 A CA 0.008 51.759 52.037 -0.477 0.000 0.984 141 A CB 0.097 18.815 19.000 -0.471 0.000 1.149 141 A HN 1.096 nan 8.150 nan 0.000 0.540 142 G N 1.326 109.965 108.800 -0.268 0.000 2.343 142 G HA2 0.448 4.408 3.960 -0.001 0.000 0.254 142 G HA3 0.448 4.408 3.960 -0.001 0.000 0.254 142 G C 0.272 175.047 174.900 -0.208 0.000 1.277 142 G CA -0.355 44.641 45.100 -0.172 0.000 0.909 142 G HN 0.732 nan 8.290 nan 0.000 0.502 143 L N 2.058 123.160 121.223 -0.202 0.000 3.066 143 L HA 0.297 4.637 4.340 -0.001 0.000 0.265 143 L C 1.470 178.319 176.870 -0.036 0.000 1.232 143 L CA -0.388 54.271 54.840 -0.302 0.000 1.031 143 L CB -0.094 41.628 42.059 -0.562 0.000 1.379 143 L HN 0.600 nan 8.230 nan 0.000 0.563 144 A N 0.238 123.037 122.820 -0.035 0.000 2.327 144 A HA 0.079 4.399 4.320 -0.001 0.000 0.255 144 A C 0.453 178.004 177.584 -0.056 0.000 1.099 144 A CA -0.227 51.751 52.037 -0.099 0.000 0.801 144 A CB 0.067 18.952 19.000 -0.191 0.000 1.062 144 A HN 0.458 nan 8.150 nan 0.000 0.496 145 N N 0.275 118.850 118.700 -0.208 0.000 2.895 145 N HA 0.247 4.987 4.740 -0.001 0.000 0.277 145 N C -0.485 175.031 175.510 0.010 0.000 1.185 145 N CA 0.250 53.291 53.050 -0.014 0.000 1.106 145 N CB -0.131 38.336 38.487 -0.033 0.000 1.422 145 N HN 0.688 nan 8.380 nan 0.000 0.521 146 S N -0.178 115.551 115.700 0.049 0.000 2.596 146 S HA 0.374 4.843 4.470 -0.001 0.000 0.270 146 S C 1.002 175.657 174.600 0.092 0.000 1.155 146 S CA -0.748 57.512 58.200 0.100 0.000 0.827 146 S CB 1.009 64.303 63.200 0.157 0.000 1.130 146 S HN 0.205 nan 8.310 nan 0.000 0.467 147 G N -0.053 108.807 108.800 0.100 0.000 2.448 147 G HA2 0.050 4.010 3.960 -0.001 0.000 0.219 147 G HA3 0.050 4.010 3.960 -0.001 0.000 0.219 147 G C 0.789 175.725 174.900 0.058 0.000 1.127 147 G CA 0.446 45.592 45.100 0.076 0.000 0.766 147 G HN 0.658 nan 8.290 nan 0.000 0.552 148 L N 0.402 121.659 121.223 0.056 0.000 2.728 148 L HA 0.401 4.741 4.340 -0.001 0.000 0.238 148 L C 1.540 178.413 176.870 0.005 0.000 1.143 148 L CA -0.516 54.345 54.840 0.034 0.000 0.937 148 L CB 0.154 42.237 42.059 0.040 0.000 1.225 148 L HN 0.193 nan 8.230 nan 0.000 0.507 149 A N 0.130 122.949 122.820 -0.001 0.000 2.386 149 A HA 0.094 4.413 4.320 -0.001 0.000 0.246 149 A C 1.094 178.612 177.584 -0.109 0.000 1.089 149 A CA -0.271 51.731 52.037 -0.059 0.000 0.790 149 A CB 0.474 19.444 19.000 -0.050 0.000 1.042 149 A HN 0.161 nan 8.150 nan 0.000 0.497 150 L N 1.509 122.599 121.223 -0.222 0.000 2.012 150 L HA -0.046 4.294 4.340 -0.001 0.000 0.210 150 L C -0.829 175.871 176.870 -0.285 0.000 1.073 150 L CA 2.583 57.217 54.840 -0.343 0.000 0.748 150 L CB -1.351 40.344 42.059 -0.606 0.000 0.891 150 L HN 0.528 nan 8.230 nan 0.000 0.431 151 P HA -0.132 nan 4.420 nan 0.000 0.216 151 P C 1.553 178.920 177.300 0.113 0.000 1.153 151 P CA 2.017 65.163 63.100 0.078 0.000 0.848 151 P CB -0.205 31.608 31.700 0.190 0.000 0.787 152 A N -0.269 122.601 122.820 0.082 0.000 1.902 152 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 152 A C 2.260 179.884 177.584 0.067 0.000 1.181 152 A CA 1.516 53.609 52.037 0.093 0.000 0.623 152 A CB -1.282 17.768 19.000 0.083 0.000 0.818 152 A HN 0.189 nan 8.150 nan 0.000 0.443 153 Q N -0.572 119.245 119.800 0.029 0.000 2.123 153 Q HA -0.078 4.262 4.340 -0.001 0.000 0.199 153 Q C 2.146 178.178 176.000 0.053 0.000 0.966 153 Q CA 1.441 57.265 55.803 0.034 0.000 0.845 153 Q CB -0.264 28.480 28.738 0.011 0.000 0.907 153 Q HN 0.506 nan 8.270 nan 0.000 0.439 154 V N 1.058 120.999 119.914 0.045 0.000 2.427 154 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 154 V C 2.301 178.465 176.094 0.117 0.000 1.051 154 V CA 1.738 64.096 62.300 0.097 0.000 1.048 154 V CB -0.886 31.009 31.823 0.119 0.000 0.666 154 V HN 0.353 nan 8.190 nan 0.000 0.456 155 A N 0.823 123.717 122.820 0.123 0.000 1.902 155 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 155 A C 2.547 180.187 177.584 0.092 0.000 1.181 155 A CA 2.467 54.577 52.037 0.122 0.000 0.623 155 A CB -0.732 18.348 19.000 0.132 0.000 0.818 155 A HN 0.683 nan 8.150 nan 0.000 0.443 156 S N -0.213 115.536 115.700 0.082 0.000 2.387 156 S HA 0.184 4.654 4.470 -0.001 0.000 0.226 156 S C 2.081 176.718 174.600 0.063 0.000 1.026 156 S CA 1.118 59.359 58.200 0.068 0.000 0.972 156 S CB -0.533 62.705 63.200 0.063 0.000 0.814 156 S HN 0.826 nan 8.310 nan 0.000 0.477 157 A N 1.075 123.935 122.820 0.068 0.000 1.898 157 A HA 0.111 4.431 4.320 -0.001 0.000 0.214 157 A C 2.193 179.810 177.584 0.055 0.000 1.183 157 A CA 1.410 53.484 52.037 0.061 0.000 0.622 157 A CB -0.629 18.413 19.000 0.070 0.000 0.824 157 A HN 0.511 nan 8.150 nan 0.000 0.444 158 Q N -0.618 119.221 119.800 0.065 0.000 2.319 158 Q HA 0.157 4.496 4.340 -0.001 0.000 0.202 158 Q C -0.294 175.740 176.000 0.057 0.000 0.896 158 Q CA 0.246 56.084 55.803 0.058 0.000 0.942 158 Q CB -0.389 28.394 28.738 0.074 0.000 1.083 158 Q HN 0.516 nan 8.270 nan 0.000 0.510 159 K N -0.779 119.657 120.400 0.060 0.000 3.244 159 K HA -0.169 4.150 4.320 -0.001 0.000 0.270 159 K C -0.613 176.024 176.600 0.060 0.000 1.016 159 K CA 0.583 56.903 56.287 0.055 0.000 0.754 159 K CB -2.406 30.119 32.500 0.041 0.000 1.326 159 K HN 0.269 nan 8.250 nan 0.000 0.465 160 V N -3.853 116.109 119.914 0.079 0.000 3.182 160 V HA 0.899 5.019 4.120 -0.001 0.000 0.311 160 V C 0.254 176.409 176.094 0.101 0.000 1.221 160 V CA -0.674 61.679 62.300 0.089 0.000 1.060 160 V CB 1.880 33.768 31.823 0.107 0.000 1.164 160 V HN 0.216 nan 8.190 nan 0.000 0.466 161 A N 0.408 123.294 122.820 0.110 0.000 2.322 161 A HA 0.377 4.697 4.320 -0.001 0.000 0.269 161 A C 0.434 178.111 177.584 0.156 0.000 1.094 161 A CA -0.267 51.839 52.037 0.115 0.000 0.807 161 A CB -0.303 18.757 19.000 0.100 0.000 1.047 161 A HN 0.992 nan 8.150 nan 0.000 0.487 162 N N 0.834 119.626 118.700 0.152 0.000 2.971 162 N HA 0.205 4.945 4.740 -0.001 0.000 0.294 162 N C -0.204 175.446 175.510 0.233 0.000 1.210 162 N CA -0.009 53.155 53.050 0.191 0.000 1.157 162 N CB -0.150 38.432 38.487 0.157 0.000 1.450 162 N HN 0.610 nan 8.380 nan 0.000 0.527 163 R N 2.252 122.923 120.500 0.284 0.000 2.604 163 R HA 0.276 4.616 4.340 -0.001 0.000 0.261 163 R C -1.852 174.666 176.300 0.363 0.000 1.080 163 R CA -0.644 55.613 56.100 0.263 0.000 0.917 163 R CB 0.738 31.132 30.300 0.157 0.000 1.252 163 R HN 0.186 nan 8.270 nan 0.000 0.456 164 F N 2.040 122.091 119.950 0.170 0.000 2.643 164 F HA 0.690 5.217 4.527 0.000 0.000 0.314 164 F C -2.077 173.774 175.800 0.086 0.000 1.096 164 F CA -1.297 56.742 58.000 0.065 0.000 0.953 164 F CB 1.556 40.560 39.000 0.006 0.000 1.345 164 F HN 0.420 nan 8.300 nan 0.000 0.468 165 L N 3.224 124.507 121.223 0.099 0.000 2.341 165 L HA 0.719 5.058 4.340 -0.001 0.000 0.278 165 L C -1.795 175.161 176.870 0.143 0.000 1.005 165 L CA -0.663 54.229 54.840 0.088 0.000 0.818 165 L CB 1.743 43.845 42.059 0.072 0.000 1.259 165 L HN 0.779 nan 8.230 nan 0.000 0.418 166 L N 4.980 126.322 121.223 0.199 0.000 2.365 166 L HA 0.490 4.830 4.340 -0.001 0.000 0.273 166 L C -1.071 175.879 176.870 0.133 0.000 1.000 166 L CA -0.608 54.330 54.840 0.164 0.000 0.819 166 L CB 1.999 44.180 42.059 0.203 0.000 1.284 166 L HN 0.654 nan 8.230 nan 0.000 0.418 167 c N 5.313 123.964 118.600 0.086 0.000 2.814 167 c HA 0.437 5.007 4.570 -0.001 0.000 0.269 167 c C 0.056 174.133 174.090 -0.020 0.000 1.090 167 c CA -0.614 55.729 56.329 0.024 0.000 1.492 167 c CB -0.476 42.020 42.510 -0.024 0.000 1.825 167 c HN 0.623 nan 8.230 nan 0.000 0.442 168 L N 7.423 128.610 121.223 -0.061 0.000 2.367 168 L HA 0.386 4.725 4.340 -0.001 0.000 0.275 168 L C -1.767 175.082 176.870 -0.036 0.000 1.129 168 L CA -1.024 53.729 54.840 -0.145 0.000 0.839 168 L CB 0.997 42.792 42.059 -0.439 0.000 1.133 168 L HN 0.420 nan 8.230 nan 0.000 0.453 169 P HA 0.157 nan 4.420 nan 0.000 0.282 169 P C 0.292 177.677 177.300 0.143 0.000 1.259 169 P CA -0.549 62.594 63.100 0.071 0.000 0.826 169 P CB 1.356 33.098 31.700 0.071 0.000 1.064 170 T N -1.791 112.811 114.554 0.080 0.000 3.067 170 T HA 0.339 4.689 4.350 -0.001 0.000 0.261 170 T C 0.865 175.600 174.700 0.059 0.000 1.110 170 T CA 0.560 62.709 62.100 0.083 0.000 1.113 170 T CB -0.608 68.285 68.868 0.040 0.000 0.917 170 T HN 0.745 nan 8.240 nan 0.000 0.499 171 G N -1.294 107.533 108.800 0.046 0.000 2.404 171 G HA2 0.551 4.511 3.960 -0.001 0.000 0.298 171 G HA3 0.551 4.511 3.960 -0.001 0.000 0.298 171 G C -0.119 174.793 174.900 0.021 0.000 1.577 171 G CA -0.126 44.992 45.100 0.029 0.000 0.847 171 G HN 1.134 nan 8.290 nan 0.000 0.598 172 G N 0.368 109.181 108.800 0.021 0.000 2.855 172 G HA2 0.183 4.143 3.960 -0.001 0.000 0.352 172 G HA3 0.183 4.143 3.960 -0.001 0.000 0.352 172 G C -2.551 172.368 174.900 0.032 0.000 1.415 172 G CA -0.053 45.059 45.100 0.020 0.000 0.871 172 G HN 1.091 nan 8.290 nan 0.000 0.543 173 P HA 0.442 nan 4.420 nan 0.000 0.281 173 P C 0.829 178.153 177.300 0.041 0.000 1.286 173 P CA 0.843 63.972 63.100 0.048 0.000 0.772 173 P CB 0.905 32.636 31.700 0.052 0.000 0.862 174 G N 2.494 111.326 108.800 0.052 0.000 2.509 174 G HA2 0.495 4.454 3.960 -0.001 0.000 0.269 174 G HA3 0.495 4.454 3.960 -0.001 0.000 0.269 174 G C -0.923 174.021 174.900 0.074 0.000 1.416 174 G CA -0.485 44.637 45.100 0.038 0.000 1.052 174 G HN 0.373 nan 8.290 nan 0.000 0.542 175 V N -0.417 119.547 119.914 0.082 0.000 2.686 175 V HA 0.702 4.822 4.120 -0.001 0.000 0.306 175 V C -0.175 175.980 176.094 0.103 0.000 1.065 175 V CA -0.573 61.810 62.300 0.140 0.000 0.894 175 V CB 1.423 33.409 31.823 0.271 0.000 1.004 175 V HN 1.163 nan 8.190 nan 0.000 0.424 176 A N 5.743 128.602 122.820 0.065 0.000 2.359 176 A HA 0.939 5.259 4.320 -0.001 0.000 0.303 176 A C -1.080 176.392 177.584 -0.186 0.000 1.066 176 A CA -0.424 51.556 52.037 -0.096 0.000 0.730 176 A CB 1.025 19.955 19.000 -0.116 0.000 1.211 176 A HN 0.759 nan 8.150 nan 0.000 0.439 177 I N 2.148 122.549 120.570 -0.282 0.000 2.447 177 I HA 0.388 4.558 4.170 -0.001 0.000 0.287 177 I C -1.424 174.532 176.117 -0.268 0.000 1.023 177 I CA -0.295 60.901 61.300 -0.174 0.000 1.083 177 I CB 1.757 39.741 38.000 -0.028 0.000 1.245 177 I HN 0.563 nan 8.210 nan 0.000 0.434 178 F N 4.473 124.549 119.950 0.210 0.000 2.361 178 F HA 0.619 5.146 4.527 -0.000 0.000 0.364 178 F C 1.053 176.957 175.800 0.173 0.000 1.117 178 F CA -0.485 57.648 58.000 0.222 0.000 1.071 178 F CB 1.558 40.684 39.000 0.211 0.000 1.188 178 F HN 0.678 nan 8.300 nan 0.000 0.464 179 G N 0.961 109.939 108.800 0.297 0.000 2.370 179 G HA2 0.325 4.284 3.960 -0.001 0.000 0.174 179 G HA3 0.325 4.284 3.960 -0.001 0.000 0.174 179 G C 0.450 175.432 174.900 0.138 0.000 1.002 179 G CA -0.058 45.165 45.100 0.206 0.000 0.730 179 G HN 1.445 nan 8.290 nan 0.000 0.497 180 G N -0.355 108.517 108.800 0.120 0.000 2.512 180 G HA2 0.463 4.423 3.960 -0.001 0.000 0.240 180 G HA3 0.463 4.423 3.960 -0.001 0.000 0.240 180 G C 1.314 176.237 174.900 0.038 0.000 1.246 180 G CA 1.476 46.622 45.100 0.076 0.000 0.919 180 G HN 2.698 nan 8.290 nan 0.000 0.577 181 G N -1.593 107.222 108.800 0.025 0.000 2.712 181 G HA2 0.387 4.347 3.960 -0.001 0.000 0.683 181 G HA3 0.387 4.347 3.960 -0.001 0.000 0.683 181 G C -2.045 172.847 174.900 -0.014 0.000 1.320 181 G CA 0.402 45.501 45.100 -0.001 0.000 0.847 181 G HN 1.497 nan 8.290 nan 0.000 0.553 182 P HA 0.372 nan 4.420 nan 0.000 0.266 182 P C 0.408 177.669 177.300 -0.066 0.000 1.195 182 P CA -0.454 62.624 63.100 -0.037 0.000 0.768 182 P CB 0.642 32.312 31.700 -0.049 0.000 0.838 183 V N 5.879 125.769 119.914 -0.040 0.000 2.529 183 V HA 0.092 4.212 4.120 -0.001 0.000 0.292 183 V C -1.346 174.657 176.094 -0.151 0.000 1.028 183 V CA -0.840 61.424 62.300 -0.060 0.000 1.074 183 V CB -0.111 31.725 31.823 0.021 0.000 0.958 183 V HN 0.660 nan 8.190 nan 0.000 0.481 184 P HA 0.098 nan 4.420 nan 0.000 0.277 184 P C -0.327 176.762 177.300 -0.353 0.000 1.276 184 P CA -0.407 62.323 63.100 -0.616 0.000 0.788 184 P CB 0.307 31.250 31.700 -1.262 0.000 1.114 185 W N -2.641 118.645 121.300 -0.024 0.000 6.199 185 W HA -0.091 4.569 4.660 -0.002 0.000 0.416 185 W C -1.726 174.713 176.519 -0.133 0.000 1.636 185 W CA -0.180 57.122 57.345 -0.072 0.000 1.040 185 W CB -2.705 26.800 29.460 0.074 0.000 2.854 185 W HN 0.433 nan 8.180 nan 0.000 1.467 186 P HA -0.272 nan 4.420 nan 0.000 0.222 186 P C 1.952 179.196 177.300 -0.093 0.000 1.147 186 P CA 2.295 65.374 63.100 -0.035 0.000 0.790 186 P CB 0.087 31.755 31.700 -0.052 0.000 0.780 187 Q N -0.573 119.083 119.800 -0.239 0.000 2.234 187 Q HA -0.156 4.183 4.340 -0.001 0.000 0.206 187 Q C 1.193 176.981 176.000 -0.353 0.000 0.980 187 Q CA 1.590 57.157 55.803 -0.393 0.000 0.869 187 Q CB -1.031 27.306 28.738 -0.667 0.000 0.912 187 Q HN 0.264 nan 8.270 nan 0.000 0.436 188 F N 0.925 120.901 119.950 0.043 0.000 2.712 188 F HA 0.196 4.723 4.527 -0.000 0.000 0.297 188 F C 1.894 177.667 175.800 -0.046 0.000 1.114 188 F CA 0.814 58.795 58.000 -0.033 0.000 1.305 188 F CB 0.125 39.075 39.000 -0.084 0.000 1.086 188 F HN 0.225 nan 8.300 nan 0.000 0.599 189 T N -3.001 111.631 114.554 0.131 0.000 3.043 189 T HA 0.045 4.395 4.350 -0.001 0.000 0.272 189 T C 1.474 176.179 174.700 0.009 0.000 0.990 189 T CA 0.059 62.194 62.100 0.059 0.000 0.897 189 T CB -0.253 68.681 68.868 0.110 0.000 1.111 189 T HN 0.358 nan 8.240 nan 0.000 0.529 190 Q N 2.305 122.107 119.800 0.003 0.000 2.226 190 Q HA -0.074 4.265 4.340 -0.001 0.000 0.204 190 Q C 1.765 177.759 176.000 -0.010 0.000 0.975 190 Q CA 1.787 57.586 55.803 -0.005 0.000 0.866 190 Q CB -0.608 28.121 28.738 -0.015 0.000 0.915 190 Q HN 0.611 nan 8.270 nan 0.000 0.440 191 S N -0.257 115.425 115.700 -0.029 0.000 2.561 191 S HA 0.243 4.713 4.470 -0.001 0.000 0.245 191 S C 0.408 174.948 174.600 -0.101 0.000 1.001 191 S CA -0.747 57.426 58.200 -0.046 0.000 1.002 191 S CB -0.205 62.968 63.200 -0.045 0.000 0.805 191 S HN 0.421 nan 8.310 nan 0.000 0.458 192 M N 3.962 123.492 119.600 -0.117 0.000 2.338 192 M HA 0.156 4.636 4.480 -0.001 0.000 0.360 192 M C -2.328 173.766 176.300 -0.344 0.000 1.547 192 M CA -0.937 54.201 55.300 -0.271 0.000 1.001 192 M CB 0.445 32.882 32.600 -0.271 0.000 2.008 192 M HN 0.105 nan 8.290 nan 0.000 0.464 193 P HA 0.205 nan 4.420 nan 0.000 0.277 193 P C -1.891 175.031 177.300 -0.630 0.000 1.240 193 P CA 0.091 62.877 63.100 -0.524 0.000 0.798 193 P CB 0.501 31.760 31.700 -0.735 0.000 0.979 194 Y N -0.700 119.550 120.300 -0.085 0.000 2.485 194 Y HA 0.552 5.101 4.550 -0.002 0.000 0.345 194 Y C 0.803 176.851 175.900 0.246 0.000 0.998 194 Y CA -0.295 57.866 58.100 0.101 0.000 1.059 194 Y CB 2.583 41.069 38.460 0.043 0.000 1.234 194 Y HN 0.269 nan 8.280 nan 0.000 0.461 195 T N 3.686 118.508 114.554 0.447 0.000 2.909 195 T HA 0.513 4.863 4.350 -0.001 0.000 0.299 195 T C -3.010 171.814 174.700 0.208 0.000 1.073 195 T CA -2.467 59.811 62.100 0.296 0.000 0.999 195 T CB 1.427 70.445 68.868 0.250 0.000 1.098 195 T HN 0.197 nan 8.240 nan 0.000 0.477 196 P HA 0.249 nan 4.420 nan 0.000 0.268 196 P C -0.715 176.655 177.300 0.115 0.000 1.205 196 P CA -0.196 62.977 63.100 0.120 0.000 0.771 196 P CB 0.331 32.087 31.700 0.094 0.000 0.858 197 L N 3.157 124.456 121.223 0.127 0.000 2.290 197 L HA 0.257 4.597 4.340 -0.001 0.000 0.284 197 L C -0.130 176.828 176.870 0.148 0.000 1.078 197 L CA -0.626 54.306 54.840 0.154 0.000 0.815 197 L CB 0.860 43.037 42.059 0.197 0.000 1.162 197 L HN 0.090 nan 8.230 nan 0.000 0.435 198 V N 2.558 122.571 119.914 0.166 0.000 2.370 198 V HA 0.239 4.359 4.120 -0.001 0.000 0.279 198 V C 0.350 176.541 176.094 0.162 0.000 1.029 198 V CA -0.547 61.832 62.300 0.131 0.000 0.870 198 V CB 1.498 33.377 31.823 0.094 0.000 0.984 198 V HN 0.697 nan 8.190 nan 0.000 0.451 199 T N 6.085 120.702 114.554 0.105 0.000 2.780 199 T HA 0.309 4.658 4.350 -0.001 0.000 0.294 199 T C -0.017 174.690 174.700 0.012 0.000 0.949 199 T CA -0.269 61.888 62.100 0.096 0.000 1.074 199 T CB 0.307 69.224 68.868 0.081 0.000 0.910 199 T HN 0.521 nan 8.240 nan 0.000 0.501 200 K N 1.877 122.254 120.400 -0.039 0.000 2.164 200 K HA 0.494 4.813 4.320 -0.001 0.000 0.258 200 K C 0.665 177.235 176.600 -0.049 0.000 0.951 200 K CA -0.759 55.426 56.287 -0.170 0.000 0.844 200 K CB 1.687 33.859 32.500 -0.547 0.000 1.099 200 K HN 0.719 nan 8.250 nan 0.000 0.435 201 G N 0.004 108.779 108.800 -0.042 0.000 2.340 201 G HA2 0.315 4.275 3.960 -0.001 0.000 0.245 201 G HA3 0.315 4.275 3.960 -0.001 0.000 0.245 201 G C 0.880 175.802 174.900 0.038 0.000 1.294 201 G CA 0.589 45.695 45.100 0.009 0.000 0.896 201 G HN 0.797 nan 8.290 nan 0.000 0.522 202 G N 0.315 109.181 108.800 0.110 0.000 2.179 202 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.260 202 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.260 202 G C 0.507 175.555 174.900 0.248 0.000 0.977 202 G CA 0.834 46.036 45.100 0.170 0.000 0.641 202 G HN 1.656 nan 8.290 nan 0.000 0.533 203 S N 0.172 115.963 115.700 0.152 0.000 2.538 203 S HA 0.749 5.219 4.470 -0.001 0.000 0.288 203 S C -1.680 172.822 174.600 -0.164 0.000 1.108 203 S CA -0.567 57.618 58.200 -0.025 0.000 0.971 203 S CB 2.350 65.625 63.200 0.125 0.000 1.041 203 S HN 0.040 nan 8.310 nan 0.000 0.483 204 P HA 0.284 nan 4.420 nan 0.000 0.261 204 P C 0.278 177.386 177.300 -0.320 0.000 1.268 204 P CA -0.008 62.827 63.100 -0.443 0.000 0.833 204 P CB 0.014 31.278 31.700 -0.727 0.000 1.231 205 A N 0.511 123.186 122.820 -0.243 0.000 2.327 205 A HA 0.216 4.535 4.320 -0.001 0.000 0.255 205 A C -0.447 176.851 177.584 -0.475 0.000 1.099 205 A CA -0.197 51.603 52.037 -0.394 0.000 0.801 205 A CB -0.539 18.187 19.000 -0.457 0.000 1.062 205 A HN 0.221 nan 8.150 nan 0.000 0.496 206 H N -0.639 118.280 119.070 -0.252 0.000 2.604 206 H HA 0.481 5.037 4.556 -0.001 0.000 0.306 206 H C -1.392 173.736 175.328 -0.333 0.000 1.075 206 H CA 0.720 56.717 56.048 -0.086 0.000 1.357 206 H CB 0.390 30.269 29.762 0.195 0.000 1.426 206 H HN 0.558 nan 8.280 nan 0.000 0.470 207 Y N 2.893 123.271 120.300 0.129 0.000 2.485 207 Y HA 0.445 4.994 4.550 -0.001 0.000 0.345 207 Y C 0.251 176.169 175.900 0.031 0.000 0.998 207 Y CA -1.123 57.006 58.100 0.047 0.000 1.059 207 Y CB 1.482 39.952 38.460 0.016 0.000 1.234 207 Y HN 0.483 nan 8.280 nan 0.000 0.461 208 I N -2.013 118.632 120.570 0.125 0.000 3.322 208 I HA 0.825 4.995 4.170 -0.001 0.000 0.313 208 I C -1.099 175.035 176.117 0.029 0.000 1.129 208 I CA -1.161 60.167 61.300 0.047 0.000 0.963 208 I CB 2.579 40.548 38.000 -0.053 0.000 1.273 208 I HN 0.382 nan 8.210 nan 0.000 0.473 209 S N 1.717 117.425 115.700 0.013 0.000 2.596 209 S HA 0.755 5.224 4.470 -0.001 0.000 0.318 209 S C -0.303 174.295 174.600 -0.002 0.000 1.097 209 S CA -0.612 57.595 58.200 0.012 0.000 1.080 209 S CB 1.452 64.668 63.200 0.027 0.000 0.991 209 S HN 0.850 nan 8.310 nan 0.000 0.471 210 A N 2.653 125.464 122.820 -0.015 0.000 2.290 210 A HA 0.679 4.998 4.320 -0.001 0.000 0.310 210 A C 0.675 178.264 177.584 0.008 0.000 1.202 210 A CA -0.603 51.429 52.037 -0.008 0.000 0.837 210 A CB 0.542 19.524 19.000 -0.030 0.000 1.139 210 A HN 0.626 nan 8.150 nan 0.000 0.509 211 R N 0.548 121.062 120.500 0.022 0.000 2.282 211 R HA 0.183 4.523 4.340 -0.001 0.000 0.195 211 R C 0.195 176.508 176.300 0.021 0.000 0.909 211 R CA 0.923 57.036 56.100 0.023 0.000 1.039 211 R CB -0.043 30.276 30.300 0.032 0.000 1.015 211 R HN 0.841 nan 8.270 nan 0.000 0.513 212 S N -1.159 114.556 115.700 0.025 0.000 2.570 212 S HA 0.656 5.126 4.470 -0.001 0.000 0.270 212 S C -0.656 173.957 174.600 0.023 0.000 1.149 212 S CA -0.949 57.264 58.200 0.023 0.000 0.837 212 S CB 1.893 65.112 63.200 0.031 0.000 1.124 212 S HN -0.022 nan 8.310 nan 0.000 0.465 213 I N 1.334 121.912 120.570 0.013 0.000 2.498 213 I HA 0.601 4.771 4.170 -0.001 0.000 0.290 213 I C -1.231 174.897 176.117 0.018 0.000 1.032 213 I CA -1.082 60.226 61.300 0.013 0.000 1.073 213 I CB 2.220 40.207 38.000 -0.023 0.000 1.251 213 I HN 0.479 nan 8.210 nan 0.000 0.426 214 V N 6.472 126.411 119.914 0.041 0.000 2.540 214 V HA 0.435 4.554 4.120 -0.001 0.000 0.302 214 V C -0.306 175.822 176.094 0.057 0.000 1.035 214 V CA -0.723 61.603 62.300 0.044 0.000 0.873 214 V CB 2.360 34.216 31.823 0.055 0.000 0.992 214 V HN 0.391 nan 8.190 nan 0.000 0.428 215 V N 4.690 124.629 119.914 0.042 0.000 2.384 215 V HA 0.791 4.910 4.120 -0.001 0.000 0.287 215 V C 1.045 177.157 176.094 0.030 0.000 1.020 215 V CA 0.813 63.148 62.300 0.058 0.000 0.850 215 V CB 0.569 32.424 31.823 0.053 0.000 0.987 215 V HN 1.266 nan 8.190 nan 0.000 0.436 216 G N 4.807 113.626 108.800 0.031 0.000 2.602 216 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.310 216 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.310 216 G C 0.369 175.283 174.900 0.023 0.000 1.183 216 G CA 0.658 45.765 45.100 0.012 0.000 0.979 216 G HN 0.646 nan 8.290 nan 0.000 0.545 217 D N 1.243 121.651 120.400 0.013 0.000 2.440 217 D HA 0.289 4.929 4.640 -0.001 0.000 0.216 217 D C 0.211 176.520 176.300 0.015 0.000 1.150 217 D CA 0.637 54.648 54.000 0.017 0.000 0.832 217 D CB 0.603 41.410 40.800 0.012 0.000 0.992 217 D HN 0.276 nan 8.370 nan 0.000 0.502 218 T N 1.045 115.606 114.554 0.013 0.000 2.786 218 T HA 0.201 4.550 4.350 -0.001 0.000 0.283 218 T C 0.228 174.934 174.700 0.010 0.000 0.992 218 T CA -0.649 61.456 62.100 0.008 0.000 0.954 218 T CB 2.336 71.204 68.868 0.000 0.000 0.934 218 T HN -0.032 nan 8.240 nan 0.000 0.440 219 R N 3.134 123.641 120.500 0.011 0.000 2.522 219 R HA 0.189 4.529 4.340 -0.001 0.000 0.284 219 R C -0.562 175.738 176.300 0.000 0.000 1.032 219 R CA -0.168 55.938 56.100 0.010 0.000 1.049 219 R CB 0.265 30.572 30.300 0.012 0.000 0.956 219 R HN 0.388 nan 8.270 nan 0.000 0.422 220 V N 7.913 127.823 119.914 -0.007 0.000 2.470 220 V HA 0.162 4.282 4.120 -0.001 0.000 0.276 220 V C -1.701 174.384 176.094 -0.016 0.000 1.040 220 V CA -1.339 60.949 62.300 -0.020 0.000 1.008 220 V CB 1.046 32.844 31.823 -0.041 0.000 0.990 220 V HN 0.823 nan 8.190 nan 0.000 0.477 221 P HA 0.219 nan 4.420 nan 0.000 0.275 221 P C -0.624 176.669 177.300 -0.013 0.000 1.276 221 P CA 0.151 63.245 63.100 -0.010 0.000 0.782 221 P CB 0.967 32.663 31.700 -0.008 0.000 0.851 222 V N 2.244 122.153 119.914 -0.009 0.000 2.815 222 V HA 0.682 4.801 4.120 -0.001 0.000 0.314 222 V C -2.420 173.672 176.094 -0.003 0.000 1.064 222 V CA -2.817 59.478 62.300 -0.008 0.000 0.952 222 V CB 0.742 32.559 31.823 -0.010 0.000 1.020 222 V HN 0.234 nan 8.190 nan 0.000 0.439 223 P HA 0.163 nan 4.420 nan 0.000 0.269 223 P C -0.438 176.863 177.300 0.001 0.000 1.211 223 P CA 0.004 63.105 63.100 0.001 0.000 0.781 223 P CB 0.280 31.982 31.700 0.003 0.000 0.877 224 E N 0.735 120.936 120.200 0.002 0.000 2.415 224 E HA 0.293 4.643 4.350 -0.001 0.000 0.263 224 E C 1.226 177.827 176.600 0.001 0.000 0.995 224 E CA 1.142 57.543 56.400 0.002 0.000 0.915 224 E CB -0.654 29.047 29.700 0.002 0.000 0.951 224 E HN 0.703 nan 8.360 nan 0.000 0.449 225 G N 2.992 111.793 108.800 0.001 0.000 2.179 225 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.260 225 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.260 225 G C 1.097 175.996 174.900 -0.001 0.000 0.977 225 G CA 0.651 45.750 45.100 -0.000 0.000 0.641 225 G HN 0.945 nan 8.290 nan 0.000 0.533 226 A N -0.291 122.530 122.820 0.000 0.000 1.908 226 A HA 0.354 4.674 4.320 -0.001 0.000 0.218 226 A C 1.394 178.978 177.584 -0.000 0.000 1.181 226 A CA 1.451 53.488 52.037 0.001 0.000 0.627 226 A CB -0.152 18.848 19.000 0.001 0.000 0.818 226 A HN 0.914 nan 8.150 nan 0.000 0.445 227 L N 0.203 121.425 121.223 -0.000 0.000 2.259 227 L HA 0.588 4.928 4.340 -0.001 0.000 0.288 227 L C 0.207 177.077 176.870 -0.000 0.000 1.051 227 L CA -0.458 54.382 54.840 -0.001 0.000 0.824 227 L CB 1.046 43.105 42.059 -0.000 0.000 1.206 227 L HN 0.331 nan 8.230 nan 0.000 0.429 228 A N 2.239 125.058 122.820 -0.003 0.000 2.387 228 A HA 0.746 5.065 4.320 -0.001 0.000 0.298 228 A C -0.067 177.514 177.584 -0.005 0.000 1.165 228 A CA -0.563 51.471 52.037 -0.005 0.000 0.814 228 A CB 1.119 20.111 19.000 -0.013 0.000 1.357 228 A HN 0.495 nan 8.150 nan 0.000 0.443 229 T N 0.959 115.509 114.554 -0.006 0.000 2.908 229 T HA 0.404 4.753 4.350 -0.001 0.000 0.301 229 T C 1.331 176.019 174.700 -0.019 0.000 1.019 229 T CA 1.725 63.823 62.100 -0.003 0.000 1.152 229 T CB 0.167 69.033 68.868 -0.003 0.000 0.966 229 T HN 2.134 nan 8.240 nan 0.000 0.540 230 G N 2.666 111.470 108.800 0.006 0.000 2.160 230 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.251 230 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.251 230 G C 1.021 175.939 174.900 0.030 0.000 1.008 230 G CA 0.220 45.328 45.100 0.014 0.000 0.724 230 G HN 1.123 nan 8.290 nan 0.000 0.514 231 G N -1.260 107.557 108.800 0.028 0.000 2.744 231 G HA2 0.363 4.323 3.960 -0.001 0.000 0.211 231 G HA3 0.363 4.323 3.960 -0.001 0.000 0.211 231 G C 0.508 175.442 174.900 0.057 0.000 1.143 231 G CA 0.953 46.071 45.100 0.030 0.000 0.788 231 G HN 0.992 nan 8.290 nan 0.000 0.534 232 V N 1.360 121.312 119.914 0.062 0.000 2.409 232 V HA 0.480 4.600 4.120 -0.001 0.000 0.291 232 V C -0.119 175.996 176.094 0.035 0.000 1.020 232 V CA -0.634 61.664 62.300 -0.003 0.000 0.848 232 V CB 1.602 33.353 31.823 -0.120 0.000 0.990 232 V HN 0.279 nan 8.190 nan 0.000 0.430 233 M N 5.330 124.925 119.600 -0.007 0.000 2.478 233 M HA 0.641 5.121 4.480 -0.001 0.000 0.327 233 M C -1.391 174.797 176.300 -0.186 0.000 1.187 233 M CA -0.563 54.633 55.300 -0.172 0.000 1.022 233 M CB 1.600 34.096 32.600 -0.174 0.000 1.629 233 M HN 0.498 nan 8.290 nan 0.000 0.461 234 L N 2.116 123.233 121.223 -0.176 0.000 2.325 234 L HA 0.614 4.954 4.340 -0.001 0.000 0.278 234 L C -0.455 176.379 176.870 -0.060 0.000 1.023 234 L CA -0.496 54.288 54.840 -0.092 0.000 0.811 234 L CB 1.866 43.958 42.059 0.056 0.000 1.249 234 L HN 0.699 nan 8.230 nan 0.000 0.431 235 S N -0.370 115.298 115.700 -0.053 0.000 2.546 235 S HA 0.423 4.893 4.470 -0.001 0.000 0.272 235 S C 0.156 174.743 174.600 -0.022 0.000 1.140 235 S CA -0.414 57.760 58.200 -0.043 0.000 0.920 235 S CB 1.648 64.807 63.200 -0.069 0.000 1.083 235 S HN 0.722 nan 8.310 nan 0.000 0.476 236 T N 1.579 116.133 114.554 0.001 0.000 3.134 236 T HA 0.303 4.653 4.350 -0.001 0.000 0.260 236 T C 1.172 175.903 174.700 0.051 0.000 1.027 236 T CA -0.335 61.802 62.100 0.062 0.000 0.913 236 T CB -0.082 68.837 68.868 0.083 0.000 1.046 236 T HN 0.555 nan 8.240 nan 0.000 0.553 237 R N 0.289 120.775 120.500 -0.023 0.000 2.127 237 R HA 0.363 4.702 4.340 -0.001 0.000 0.217 237 R C 0.262 176.488 176.300 -0.123 0.000 1.074 237 R CA 0.591 56.656 56.100 -0.059 0.000 0.991 237 R CB -0.007 30.261 30.300 -0.054 0.000 0.895 237 R HN 0.363 nan 8.270 nan 0.000 0.450 238 L N 0.327 121.431 121.223 -0.197 0.000 2.354 238 L HA 0.344 4.684 4.340 -0.001 0.000 0.264 238 L C -1.890 174.803 176.870 -0.295 0.000 1.008 238 L CA -2.239 52.364 54.840 -0.395 0.000 0.819 238 L CB 2.528 44.112 42.059 -0.792 0.000 1.339 238 L HN -0.202 nan 8.230 nan 0.000 0.420 239 P HA -0.036 nan 4.420 nan 0.000 0.231 239 P C -0.580 176.740 177.300 0.034 0.000 1.168 239 P CA 0.963 64.060 63.100 -0.006 0.000 0.779 239 P CB -0.018 31.751 31.700 0.115 0.000 0.844 240 Y N -2.100 118.233 120.300 0.056 0.000 2.596 240 Y HA 0.604 5.153 4.550 -0.001 0.000 0.326 240 Y C 0.058 175.949 175.900 -0.016 0.000 1.167 240 Y CA -2.140 55.980 58.100 0.033 0.000 1.246 240 Y CB 0.012 38.546 38.460 0.124 0.000 1.347 240 Y HN -0.439 nan 8.280 nan 0.000 0.515 241 V N 2.907 122.930 119.914 0.181 0.000 2.583 241 V HA 0.217 4.337 4.120 -0.001 0.000 0.287 241 V C 0.081 176.351 176.094 0.294 0.000 1.051 241 V CA -0.677 61.711 62.300 0.148 0.000 1.010 241 V CB 0.793 32.701 31.823 0.141 0.000 0.988 241 V HN 0.620 nan 8.190 nan 0.000 0.478 242 L N 5.815 127.153 121.223 0.193 0.000 2.307 242 L HA 0.572 4.912 4.340 -0.001 0.000 0.282 242 L C -0.538 176.433 176.870 0.168 0.000 1.051 242 L CA -0.292 54.660 54.840 0.186 0.000 0.804 242 L CB 1.279 43.402 42.059 0.106 0.000 1.197 242 L HN 0.424 nan 8.230 nan 0.000 0.431 243 L N 3.707 125.041 121.223 0.186 0.000 2.381 243 L HA 0.510 4.850 4.340 -0.001 0.000 0.274 243 L C 0.043 176.984 176.870 0.118 0.000 0.988 243 L CA -0.654 54.291 54.840 0.174 0.000 0.824 243 L CB 2.059 44.278 42.059 0.267 0.000 1.263 243 L HN 0.587 nan 8.230 nan 0.000 0.410 244 R N 3.482 124.031 120.500 0.081 0.000 2.623 244 R HA 0.058 4.398 4.340 -0.001 0.000 0.271 244 R C -1.578 174.770 176.300 0.079 0.000 1.043 244 R CA -0.993 55.140 56.100 0.055 0.000 1.083 244 R CB 0.922 31.246 30.300 0.039 0.000 0.974 244 R HN 0.289 nan 8.270 nan 0.000 0.436 245 P HA -0.215 nan 4.420 nan 0.000 0.216 245 P C 0.329 177.692 177.300 0.104 0.000 1.150 245 P CA 1.503 64.652 63.100 0.082 0.000 0.843 245 P CB 0.031 31.748 31.700 0.029 0.000 0.787 246 D N -0.929 119.507 120.400 0.061 0.000 2.263 246 D HA -0.093 4.546 4.640 -0.001 0.000 0.208 246 D C 1.576 177.898 176.300 0.037 0.000 0.971 246 D CA 1.129 55.155 54.000 0.043 0.000 0.867 246 D CB -0.747 40.067 40.800 0.025 0.000 0.929 246 D HN 0.103 nan 8.370 nan 0.000 0.492 247 V N -0.205 119.737 119.914 0.047 0.000 2.795 247 V HA -0.109 4.011 4.120 -0.001 0.000 0.243 247 V C 2.194 178.292 176.094 0.006 0.000 1.069 247 V CA 0.383 62.692 62.300 0.015 0.000 1.089 247 V CB -0.850 30.979 31.823 0.010 0.000 0.756 247 V HN 0.056 nan 8.190 nan 0.000 0.471 248 Y N 2.153 122.430 120.300 -0.039 0.000 2.081 248 Y HA -0.357 4.192 4.550 -0.001 0.000 0.280 248 Y C 2.755 178.630 175.900 -0.042 0.000 1.163 248 Y CA 2.671 60.746 58.100 -0.041 0.000 1.135 248 Y CB -0.214 38.242 38.460 -0.007 0.000 0.970 248 Y HN 0.173 nan 8.280 nan 0.000 0.498 249 R N 0.807 121.323 120.500 0.027 0.000 2.082 249 R HA -0.127 4.213 4.340 -0.001 0.000 0.234 249 R C -0.737 175.493 176.300 -0.117 0.000 1.136 249 R CA 2.228 58.309 56.100 -0.032 0.000 0.935 249 R CB -1.670 28.672 30.300 0.069 0.000 0.842 249 R HN 0.319 nan 8.270 nan 0.000 0.430 250 P HA -0.144 nan 4.420 nan 0.000 0.217 250 P C 1.540 178.767 177.300 -0.121 0.000 1.150 250 P CA 1.152 64.204 63.100 -0.079 0.000 0.832 250 P CB -0.119 31.551 31.700 -0.050 0.000 0.787 251 L N -1.517 119.592 121.223 -0.190 0.000 2.027 251 L HA -0.097 4.242 4.340 -0.001 0.000 0.206 251 L C 2.588 179.294 176.870 -0.273 0.000 1.074 251 L CA 1.605 56.291 54.840 -0.257 0.000 0.745 251 L CB -0.578 41.247 42.059 -0.391 0.000 0.898 251 L HN -0.131 nan 8.230 nan 0.000 0.433 252 M N 0.050 119.406 119.600 -0.407 0.000 2.132 252 M HA -0.208 4.271 4.480 -0.001 0.000 0.263 252 M C 1.628 177.873 176.300 -0.092 0.000 1.065 252 M CA 1.780 56.882 55.300 -0.329 0.000 1.122 252 M CB -0.524 31.678 32.600 -0.662 0.000 1.365 252 M HN 0.214 nan 8.290 nan 0.000 0.411 253 D N 0.151 120.488 120.400 -0.104 0.000 2.123 253 D HA -0.099 4.541 4.640 -0.001 0.000 0.196 253 D C 1.980 178.284 176.300 0.008 0.000 0.992 253 D CA 1.785 55.770 54.000 -0.026 0.000 0.833 253 D CB -0.435 40.346 40.800 -0.031 0.000 0.954 253 D HN 0.492 nan 8.370 nan 0.000 0.455 254 A N 0.054 122.871 122.820 -0.004 0.000 1.933 254 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 254 A C 2.119 179.733 177.584 0.049 0.000 1.175 254 A CA 0.930 52.973 52.037 0.011 0.000 0.628 254 A CB -0.913 18.083 19.000 -0.006 0.000 0.814 254 A HN 0.248 nan 8.150 nan 0.000 0.444 255 F N 1.652 121.564 119.950 -0.063 0.000 2.113 255 F HA -0.163 4.363 4.527 -0.001 0.000 0.297 255 F C 2.812 178.615 175.800 0.006 0.000 1.103 255 F CA 2.397 60.384 58.000 -0.021 0.000 1.248 255 F CB -0.405 38.593 39.000 -0.004 0.000 0.999 255 F HN 0.342 nan 8.300 nan 0.000 0.475 256 T N -1.844 112.870 114.554 0.266 0.000 2.904 256 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 256 T C 2.073 176.813 174.700 0.067 0.000 1.059 256 T CA 1.360 63.588 62.100 0.213 0.000 1.137 256 T CB -0.525 68.485 68.868 0.237 0.000 0.879 256 T HN 0.333 nan 8.240 nan 0.000 0.467 257 K N 1.572 121.991 120.400 0.032 0.000 2.025 257 K HA 0.062 4.382 4.320 -0.001 0.000 0.207 257 K C 2.637 179.209 176.600 -0.047 0.000 1.049 257 K CA 1.172 57.458 56.287 -0.002 0.000 0.933 257 K CB -0.633 31.866 32.500 -0.003 0.000 0.714 257 K HN 0.376 nan 8.250 nan 0.000 0.438 258 A N 1.470 124.237 122.820 -0.088 0.000 1.902 258 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 258 A C 2.057 179.531 177.584 -0.182 0.000 1.181 258 A CA 1.323 53.281 52.037 -0.132 0.000 0.623 258 A CB -0.631 18.271 19.000 -0.164 0.000 0.818 258 A HN 0.406 nan 8.150 nan 0.000 0.443 259 L N -0.128 120.936 121.223 -0.265 0.000 2.046 259 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 259 L C 2.578 179.339 176.870 -0.182 0.000 1.077 259 L CA 2.173 56.830 54.840 -0.304 0.000 0.747 259 L CB -0.852 40.943 42.059 -0.440 0.000 0.896 259 L HN 0.330 nan 8.230 nan 0.000 0.432 260 A N -0.742 122.020 122.820 -0.096 0.000 2.070 260 A HA 0.032 4.352 4.320 -0.001 0.000 0.220 260 A C 2.236 179.793 177.584 -0.044 0.000 1.159 260 A CA 1.393 53.407 52.037 -0.038 0.000 0.656 260 A CB -0.872 18.136 19.000 0.012 0.000 0.800 260 A HN 0.546 nan 8.150 nan 0.000 0.453 261 A N -1.082 121.703 122.820 -0.059 0.000 2.275 261 A HA 0.253 4.573 4.320 -0.001 0.000 0.212 261 A C 1.123 178.674 177.584 -0.054 0.000 1.201 261 A CA -0.119 51.889 52.037 -0.048 0.000 0.843 261 A CB -0.084 18.889 19.000 -0.045 0.000 0.873 261 A HN 0.663 nan 8.150 nan 0.000 0.492 267 A N 0.772 123.588 122.820 -0.005 0.000 2.386 267 A HA 0.695 5.015 4.320 -0.001 0.000 0.246 267 A C -1.551 176.031 177.584 -0.004 0.000 1.089 267 A CA -0.599 51.436 52.037 -0.004 0.000 0.790 267 A CB -0.328 18.669 19.000 -0.005 0.000 1.042 267 A HN 0.161 nan 8.150 nan 0.000 0.497 268 P HA 0.240 nan 4.420 nan 0.000 0.266 268 P C -0.740 176.556 177.300 -0.007 0.000 1.193 268 P CA -0.101 63.000 63.100 0.001 0.000 0.770 268 P CB 0.319 32.024 31.700 0.008 0.000 0.836 269 V N 2.105 122.017 119.914 -0.003 0.000 2.567 269 V HA 0.425 4.545 4.120 -0.001 0.000 0.289 269 V C 0.628 176.722 176.094 -0.000 0.000 1.049 269 V CA -0.873 61.422 62.300 -0.010 0.000 0.969 269 V CB 1.082 32.904 31.823 -0.002 0.000 0.995 269 V HN 0.756 nan 8.190 nan 0.000 0.471 270 A N 4.977 127.781 122.820 -0.026 0.000 2.546 270 A HA 0.307 4.627 4.320 -0.001 0.000 0.243 270 A C 0.423 178.087 177.584 0.133 0.000 1.063 270 A CA 0.271 52.299 52.037 -0.015 0.000 0.757 270 A CB -0.183 18.689 19.000 -0.214 0.000 0.991 270 A HN 0.851 nan 8.150 nan 0.000 0.503 271 R N 2.612 123.241 120.500 0.216 0.000 2.409 271 R HA 0.545 4.885 4.340 -0.001 0.000 0.313 271 R C -0.119 176.303 176.300 0.204 0.000 0.953 271 R CA -0.223 55.984 56.100 0.178 0.000 0.849 271 R CB 1.179 31.531 30.300 0.086 0.000 1.171 271 R HN 0.923 nan 8.270 nan 0.000 0.458 272 A N 3.619 126.465 122.820 0.043 0.000 2.445 272 A HA 0.436 4.755 4.320 -0.001 0.000 0.242 272 A C 0.057 177.548 177.584 -0.154 0.000 1.075 272 A CA -0.272 51.594 52.037 -0.285 0.000 0.777 272 A CB 0.546 19.357 19.000 -0.316 0.000 1.013 272 A HN 0.643 nan 8.150 nan 0.000 0.493 273 V N -0.242 119.556 119.914 -0.194 0.000 3.158 273 V HA 0.629 4.748 4.120 -0.001 0.000 0.311 273 V C -0.001 176.032 176.094 -0.102 0.000 1.181 273 V CA -0.967 61.272 62.300 -0.103 0.000 1.054 273 V CB 1.199 32.983 31.823 -0.064 0.000 1.085 273 V HN 1.008 nan 8.190 nan 0.000 0.446 274 E N 1.224 121.388 120.200 -0.060 0.000 2.529 274 E HA 0.373 4.723 4.350 -0.001 0.000 0.259 274 E C 0.387 176.961 176.600 -0.044 0.000 0.966 274 E CA 0.272 56.645 56.400 -0.045 0.000 0.937 274 E CB 0.865 30.550 29.700 -0.025 0.000 0.923 274 E HN 1.207 nan 8.360 nan 0.000 0.468 275 A N 3.721 126.520 122.820 -0.035 0.000 2.445 275 A HA 0.239 4.559 4.320 -0.001 0.000 0.242 275 A C -0.448 177.147 177.584 0.018 0.000 1.075 275 A CA -0.472 51.559 52.037 -0.010 0.000 0.777 275 A CB 0.753 19.756 19.000 0.005 0.000 1.013 275 A HN 0.447 nan 8.150 nan 0.000 0.493 276 V N 2.346 122.295 119.914 0.059 0.000 2.370 276 V HA 0.502 4.621 4.120 -0.001 0.000 0.283 276 V C 0.865 177.046 176.094 0.145 0.000 1.023 276 V CA -0.289 62.064 62.300 0.088 0.000 0.857 276 V CB 0.893 32.771 31.823 0.092 0.000 0.985 276 V HN 1.183 nan 8.190 nan 0.000 0.443 277 A N 7.481 130.336 122.820 0.059 0.000 2.498 277 A HA 0.423 4.743 4.320 -0.001 0.000 0.239 277 A C -0.846 176.713 177.584 -0.041 0.000 1.068 277 A CA -0.585 51.444 52.037 -0.013 0.000 0.766 277 A CB -0.025 18.958 19.000 -0.028 0.000 1.003 277 A HN 0.771 nan 8.150 nan 0.000 0.497 278 P HA 0.175 nan 4.420 nan 0.000 0.257 278 P C -0.425 176.560 177.300 -0.525 0.000 1.325 278 P CA 0.010 62.876 63.100 -0.390 0.000 0.850 278 P CB -0.060 31.377 31.700 -0.437 0.000 1.324 279 F N 0.155 119.977 119.950 -0.214 0.000 2.380 279 F HA 0.472 4.998 4.527 -0.001 0.000 0.325 279 F C 2.043 177.769 175.800 -0.124 0.000 1.136 279 F CA 0.216 58.086 58.000 -0.217 0.000 1.171 279 F CB 0.435 39.327 39.000 -0.179 0.000 1.230 279 F HN -0.171 nan 8.300 nan 0.000 0.554 280 G N 0.041 108.911 108.800 0.117 0.000 2.784 280 G HA2 0.324 4.284 3.960 -0.001 0.000 0.208 280 G HA3 0.324 4.284 3.960 -0.001 0.000 0.208 280 G C -0.559 174.386 174.900 0.075 0.000 1.120 280 G CA 0.122 45.270 45.100 0.080 0.000 0.774 280 G HN 0.348 nan 8.290 nan 0.000 0.528 281 V N 0.742 120.703 119.914 0.078 0.000 2.524 281 V HA 0.491 4.611 4.120 -0.001 0.000 0.297 281 V C -0.899 175.135 176.094 -0.100 0.000 1.035 281 V CA -0.934 61.352 62.300 -0.023 0.000 0.867 281 V CB 1.313 33.167 31.823 0.051 0.000 1.004 281 V HN 0.167 nan 8.190 nan 0.000 0.426 282 c N 4.157 122.597 118.600 -0.265 0.000 2.898 282 c HA 0.831 5.401 4.570 -0.001 0.000 0.304 282 c C -1.027 172.785 174.090 -0.464 0.000 1.237 282 c CA -1.100 55.081 56.329 -0.246 0.000 1.529 282 c CB 1.824 44.245 42.510 -0.148 0.000 2.021 282 c HN 0.792 nan 8.230 nan 0.000 0.474 283 Y N -0.067 120.182 120.300 -0.085 0.000 2.536 283 Y HA 0.388 4.938 4.550 -0.001 0.000 0.347 283 Y C 0.083 175.929 175.900 -0.089 0.000 1.000 283 Y CA -0.528 57.525 58.100 -0.079 0.000 1.051 283 Y CB 0.853 39.255 38.460 -0.097 0.000 1.259 283 Y HN 0.625 nan 8.280 nan 0.000 0.468 284 D N 1.040 121.504 120.400 0.107 0.000 2.382 284 D HA -0.010 4.630 4.640 -0.001 0.000 0.259 284 D C 1.142 177.465 176.300 0.037 0.000 1.224 284 D CA 0.463 54.494 54.000 0.052 0.000 0.894 284 D CB 1.141 41.972 40.800 0.051 0.000 1.127 284 D HN 0.759 nan 8.370 nan 0.000 0.487 285 T N 1.442 116.006 114.554 0.017 0.000 2.962 285 T HA -0.128 4.222 4.350 -0.001 0.000 0.270 285 T C 1.525 176.263 174.700 0.063 0.000 1.088 285 T CA 0.765 62.875 62.100 0.016 0.000 1.127 285 T CB -0.062 68.862 68.868 0.093 0.000 0.883 285 T HN 0.394 nan 8.240 nan 0.000 0.493 286 K N 1.398 121.828 120.400 0.051 0.000 2.360 286 K HA -0.042 4.277 4.320 -0.001 0.000 0.201 286 K C 2.105 178.726 176.600 0.036 0.000 1.046 286 K CA 1.541 57.855 56.287 0.046 0.000 0.945 286 K CB -0.246 32.275 32.500 0.035 0.000 0.750 286 K HN 0.675 nan 8.250 nan 0.000 0.464 287 T N -1.853 112.717 114.554 0.026 0.000 3.134 287 T HA 0.269 4.619 4.350 -0.001 0.000 0.260 287 T C 0.311 174.997 174.700 -0.023 0.000 1.027 287 T CA -0.396 61.710 62.100 0.011 0.000 0.913 287 T CB -0.063 68.822 68.868 0.028 0.000 1.046 287 T HN -0.101 nan 8.240 nan 0.000 0.553 288 L N 1.316 122.531 121.223 -0.013 0.000 2.329 288 L HA 0.768 5.107 4.340 -0.001 0.000 0.279 288 L C 0.940 177.863 176.870 0.087 0.000 1.014 288 L CA -1.340 53.489 54.840 -0.019 0.000 0.814 288 L CB 1.741 43.728 42.059 -0.121 0.000 1.257 288 L HN 0.248 nan 8.230 nan 0.000 0.424 289 G N 1.715 110.554 108.800 0.064 0.000 2.525 289 G HA2 0.424 4.384 3.960 -0.001 0.000 0.287 289 G HA3 0.424 4.384 3.960 -0.001 0.000 0.287 289 G C -0.861 174.105 174.900 0.110 0.000 1.350 289 G CA -0.572 44.567 45.100 0.066 0.000 1.039 289 G HN 0.811 nan 8.290 nan 0.000 0.513 290 N N -1.451 117.274 118.700 0.042 0.000 2.610 290 N HA 0.478 5.218 4.740 -0.001 0.000 0.264 290 N C -1.354 174.145 175.510 -0.019 0.000 1.348 290 N CA -0.774 52.279 53.050 0.006 0.000 0.819 290 N CB 2.233 40.681 38.487 -0.065 0.000 1.521 290 N HN 0.640 nan 8.380 nan 0.000 0.497 291 N N -0.905 117.775 118.700 -0.033 0.000 3.316 291 N HA 0.270 5.010 4.740 -0.001 0.000 0.300 291 N C 0.038 175.505 175.510 -0.071 0.000 1.567 291 N CA -0.944 52.077 53.050 -0.049 0.000 0.821 291 N CB 0.874 39.338 38.487 -0.038 0.000 1.748 291 N HN 0.436 nan 8.380 nan 0.000 0.603 292 L N -0.819 120.338 121.223 -0.109 0.000 2.456 292 L HA 0.151 4.490 4.340 -0.001 0.000 0.224 292 L C 1.651 178.476 176.870 -0.075 0.000 1.148 292 L CA 1.328 56.073 54.840 -0.159 0.000 0.825 292 L CB -0.608 41.217 42.059 -0.390 0.000 0.937 292 L HN 0.897 nan 8.230 nan 0.000 0.450 293 G N -0.907 107.867 108.800 -0.043 0.000 3.042 293 G HA2 0.429 4.389 3.960 -0.001 0.000 0.212 293 G HA3 0.429 4.389 3.960 -0.001 0.000 0.212 293 G C 0.751 175.654 174.900 0.006 0.000 1.166 293 G CA 0.511 45.609 45.100 -0.004 0.000 0.767 293 G HN 0.503 nan 8.290 nan 0.000 0.546 294 G N -0.773 108.012 108.800 -0.024 0.000 2.337 294 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.197 294 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.197 294 G C -0.542 174.337 174.900 -0.035 0.000 1.238 294 G CA -0.885 44.181 45.100 -0.058 0.000 1.119 294 G HN 0.139 nan 8.290 nan 0.000 0.514 295 Y N 1.134 121.442 120.300 0.013 0.000 2.788 295 Y HA 0.336 4.886 4.550 -0.001 0.000 0.341 295 Y C 1.431 177.327 175.900 -0.007 0.000 1.258 295 Y CA 1.075 59.176 58.100 0.002 0.000 1.503 295 Y CB 0.680 39.147 38.460 0.011 0.000 1.325 295 Y HN 1.038 nan 8.280 nan 0.000 0.614 296 A N 4.333 127.248 122.820 0.160 0.000 3.004 296 A HA 0.518 4.837 4.320 -0.001 0.000 0.286 296 A C -0.423 177.152 177.584 -0.015 0.000 1.632 296 A CA -0.288 51.778 52.037 0.047 0.000 1.339 296 A CB -1.350 17.659 19.000 0.016 0.000 1.136 296 A HN 0.577 nan 8.150 nan 0.000 0.577 297 V N -1.191 118.715 119.914 -0.013 0.000 3.046 297 V HA 0.764 4.884 4.120 -0.001 0.000 0.316 297 V C -3.042 172.956 176.094 -0.160 0.000 1.104 297 V CA -2.922 59.291 62.300 -0.146 0.000 1.006 297 V CB 1.404 33.203 31.823 -0.040 0.000 1.058 297 V HN 0.365 nan 8.190 nan 0.000 0.440 298 P HA 0.179 nan 4.420 nan 0.000 0.264 298 P C -0.598 176.712 177.300 0.017 0.000 1.193 298 P CA 0.210 63.170 63.100 -0.233 0.000 0.763 298 P CB 0.013 31.461 31.700 -0.420 0.000 0.810 299 N N 1.697 120.436 118.700 0.064 0.000 2.454 299 N HA 0.116 4.856 4.740 -0.001 0.000 0.254 299 N C -0.442 175.185 175.510 0.195 0.000 1.228 299 N CA 0.212 53.348 53.050 0.144 0.000 0.900 299 N CB 0.274 38.822 38.487 0.100 0.000 1.089 299 N HN 0.071 nan 8.380 nan 0.000 0.449 300 V N 2.018 122.092 119.914 0.266 0.000 2.540 300 V HA 0.347 4.467 4.120 -0.001 0.000 0.302 300 V C -0.395 175.846 176.094 0.244 0.000 1.035 300 V CA -0.732 61.727 62.300 0.265 0.000 0.873 300 V CB 1.857 33.910 31.823 0.383 0.000 0.992 300 V HN 0.517 nan 8.190 nan 0.000 0.428 301 Q N 3.360 123.274 119.800 0.190 0.000 2.356 301 Q HA 0.725 5.064 4.340 -0.001 0.000 0.270 301 Q C -1.556 174.540 176.000 0.160 0.000 1.058 301 Q CA -0.464 55.459 55.803 0.199 0.000 0.802 301 Q CB 2.468 31.302 28.738 0.161 0.000 1.303 301 Q HN 0.603 nan 8.270 nan 0.000 0.444 302 L N 1.442 122.774 121.223 0.181 0.000 2.265 302 L HA 0.579 4.919 4.340 -0.001 0.000 0.289 302 L C 0.625 177.573 176.870 0.129 0.000 1.033 302 L CA -0.205 54.697 54.840 0.104 0.000 0.814 302 L CB 1.382 43.453 42.059 0.019 0.000 1.203 302 L HN 0.699 nan 8.230 nan 0.000 0.423 303 G N 4.924 113.783 108.800 0.098 0.000 2.372 303 G HA2 0.486 4.446 3.960 -0.001 0.000 0.286 303 G HA3 0.486 4.446 3.960 -0.001 0.000 0.286 303 G C -0.209 174.746 174.900 0.091 0.000 1.153 303 G CA -0.335 44.830 45.100 0.108 0.000 0.985 303 G HN 0.427 nan 8.290 nan 0.000 0.429 304 L N 2.104 123.402 121.223 0.125 0.000 2.360 304 L HA 0.298 4.638 4.340 -0.001 0.000 0.271 304 L C 0.000 176.942 176.870 0.120 0.000 1.057 304 L CA -1.254 53.643 54.840 0.094 0.000 0.803 304 L CB 1.210 43.309 42.059 0.066 0.000 1.207 304 L HN 0.315 nan 8.230 nan 0.000 0.445 305 D N 1.512 121.967 120.400 0.093 0.000 2.583 305 D HA 0.212 4.851 4.640 -0.001 0.000 0.232 305 D C 0.968 177.351 176.300 0.138 0.000 1.128 305 D CA 1.753 55.812 54.000 0.098 0.000 0.859 305 D CB 0.963 41.811 40.800 0.081 0.000 1.169 305 D HN 0.813 nan 8.370 nan 0.000 0.481 306 G N 1.300 110.173 108.800 0.122 0.000 2.238 306 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.217 306 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.217 306 G C 0.990 175.964 174.900 0.122 0.000 0.996 306 G CA 0.245 45.425 45.100 0.133 0.000 0.632 306 G HN 1.379 nan 8.290 nan 0.000 0.503 307 G N -1.344 107.532 108.800 0.126 0.000 2.176 307 G HA2 0.029 3.988 3.960 -0.001 0.000 0.232 307 G HA3 0.029 3.988 3.960 -0.001 0.000 0.232 307 G C 0.292 175.266 174.900 0.123 0.000 0.986 307 G CA 0.848 46.012 45.100 0.106 0.000 0.643 307 G HN 1.717 nan 8.290 nan 0.000 0.522 308 S N 0.547 116.357 115.700 0.184 0.000 2.681 308 S HA 0.673 5.143 4.470 -0.001 0.000 0.299 308 S C -0.703 174.090 174.600 0.323 0.000 1.113 308 S CA -0.712 57.611 58.200 0.204 0.000 1.013 308 S CB 1.616 64.892 63.200 0.128 0.000 1.076 308 S HN 0.311 nan 8.310 nan 0.000 0.534 309 D N 0.935 121.522 120.400 0.311 0.000 2.248 309 D HA 0.164 4.803 4.640 -0.001 0.000 0.246 309 D C -1.099 175.507 176.300 0.511 0.000 1.027 309 D CA -0.329 53.874 54.000 0.339 0.000 0.853 309 D CB 1.171 42.106 40.800 0.225 0.000 1.243 309 D HN 0.471 nan 8.370 nan 0.000 0.462 310 W N 3.781 125.228 121.300 0.246 0.000 2.332 310 W HA 0.196 4.856 4.660 -0.000 0.000 0.306 310 W C -0.469 176.188 176.519 0.230 0.000 1.149 310 W CA -0.567 56.922 57.345 0.241 0.000 1.271 310 W CB 0.850 30.249 29.460 -0.101 0.000 1.243 310 W HN 0.243 nan 8.180 nan 0.000 0.459 311 T N 4.005 118.833 114.554 0.456 0.000 2.907 311 T HA 0.708 5.058 4.350 -0.001 0.000 0.284 311 T C -0.206 174.768 174.700 0.458 0.000 1.004 311 T CA -0.777 61.551 62.100 0.381 0.000 1.063 311 T CB 1.908 70.903 68.868 0.212 0.000 0.992 311 T HN 0.452 nan 8.240 nan 0.000 0.483 312 M N 2.929 122.751 119.600 0.369 0.000 2.321 312 M HA 0.441 4.921 4.480 -0.001 0.000 0.315 312 M C 0.163 176.615 176.300 0.252 0.000 1.052 312 M CA -0.747 54.751 55.300 0.329 0.000 0.936 312 M CB 2.542 35.342 32.600 0.333 0.000 1.639 312 M HN 1.044 nan 8.290 nan 0.000 0.433 313 T N -1.165 113.513 114.554 0.207 0.000 2.804 313 T HA 0.561 4.910 4.350 -0.001 0.000 0.272 313 T C 1.186 175.991 174.700 0.175 0.000 0.986 313 T CA -0.238 61.961 62.100 0.165 0.000 0.999 313 T CB 1.140 70.072 68.868 0.106 0.000 1.307 313 T HN 0.741 nan 8.240 nan 0.000 0.586 314 G N 0.480 109.378 108.800 0.163 0.000 2.469 314 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.220 314 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.220 314 G C 1.353 176.361 174.900 0.181 0.000 1.136 314 G CA 1.164 46.388 45.100 0.207 0.000 0.759 314 G HN 0.986 nan 8.290 nan 0.000 0.562 315 K N 0.070 120.538 120.400 0.114 0.000 2.360 315 K HA 0.002 4.321 4.320 -0.001 0.000 0.201 315 K C 1.544 178.210 176.600 0.110 0.000 1.046 315 K CA 1.332 57.672 56.287 0.088 0.000 0.945 315 K CB -0.124 32.406 32.500 0.050 0.000 0.750 315 K HN 0.245 nan 8.250 nan 0.000 0.464 316 N N 0.687 119.463 118.700 0.127 0.000 2.414 316 N HA -0.041 4.698 4.740 -0.001 0.000 0.177 316 N C 1.259 176.791 175.510 0.035 0.000 1.062 316 N CA 1.082 54.201 53.050 0.116 0.000 0.890 316 N CB 0.806 39.400 38.487 0.179 0.000 1.070 316 N HN 0.387 nan 8.380 nan 0.000 0.454 317 S N -0.765 114.962 115.700 0.046 0.000 2.523 317 S HA 0.323 4.792 4.470 -0.001 0.000 0.217 317 S C 0.502 175.058 174.600 -0.074 0.000 0.996 317 S CA -0.253 57.892 58.200 -0.091 0.000 0.921 317 S CB 0.392 63.660 63.200 0.113 0.000 0.829 317 S HN -0.079 nan 8.310 nan 0.000 0.495 318 M N 2.019 121.644 119.600 0.042 0.000 2.393 318 M HA 0.534 5.013 4.480 -0.001 0.000 0.299 318 M C -1.541 174.782 176.300 0.039 0.000 1.103 318 M CA -0.599 54.720 55.300 0.031 0.000 0.910 318 M CB 1.993 34.666 32.600 0.122 0.000 1.659 318 M HN -0.108 nan 8.290 nan 0.000 0.445 319 V N 2.397 122.254 119.914 -0.096 0.000 2.409 319 V HA 0.299 4.419 4.120 -0.001 0.000 0.291 319 V C -0.347 175.689 176.094 -0.096 0.000 1.020 319 V CA -0.883 61.370 62.300 -0.080 0.000 0.848 319 V CB 1.887 33.631 31.823 -0.131 0.000 0.990 319 V HN 0.671 nan 8.190 nan 0.000 0.430 320 D N 3.316 123.739 120.400 0.038 0.000 2.358 320 D HA 0.141 4.781 4.640 -0.001 0.000 0.258 320 D C 0.911 177.217 176.300 0.010 0.000 1.223 320 D CA 0.226 54.256 54.000 0.050 0.000 0.886 320 D CB 2.065 42.929 40.800 0.107 0.000 1.120 320 D HN 0.489 nan 8.370 nan 0.000 0.482 321 V N 1.009 120.911 119.914 -0.021 0.000 3.212 321 V HA 0.204 4.323 4.120 -0.001 0.000 0.244 321 V C 0.554 176.666 176.094 0.030 0.000 1.151 321 V CA 0.534 62.840 62.300 0.010 0.000 1.119 321 V CB -0.239 31.578 31.823 -0.010 0.000 0.838 321 V HN 0.550 nan 8.190 nan 0.000 0.470 322 K N -0.150 120.262 120.400 0.020 0.000 2.607 322 K HA 0.420 4.740 4.320 -0.001 0.000 0.287 322 K C -1.147 175.469 176.600 0.025 0.000 0.996 322 K CA -0.918 55.384 56.287 0.024 0.000 0.876 322 K CB 1.408 33.921 32.500 0.022 0.000 1.496 322 K HN -0.008 nan 8.250 nan 0.000 0.415 323 Q N 0.508 120.323 119.800 0.026 0.000 2.320 323 Q HA 0.197 4.537 4.340 -0.001 0.000 0.311 323 Q C 0.937 176.952 176.000 0.026 0.000 1.083 323 Q CA 2.743 58.563 55.803 0.029 0.000 1.001 323 Q CB -0.317 28.436 28.738 0.024 0.000 1.074 323 Q HN 0.976 nan 8.270 nan 0.000 0.379 324 G N 2.632 111.453 108.800 0.035 0.000 2.195 324 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.246 324 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.246 324 G C 0.047 174.958 174.900 0.019 0.000 0.984 324 G CA 0.108 45.226 45.100 0.030 0.000 0.633 324 G HN 0.750 nan 8.290 nan 0.000 0.525 325 T N 0.510 115.070 114.554 0.010 0.000 2.879 325 T HA 0.764 5.113 4.350 -0.001 0.000 0.290 325 T C -0.234 174.439 174.700 -0.044 0.000 0.993 325 T CA 0.464 62.553 62.100 -0.019 0.000 0.975 325 T CB 1.842 70.695 68.868 -0.026 0.000 0.981 325 T HN 1.500 nan 8.240 nan 0.000 0.439 326 A N 1.749 124.516 122.820 -0.089 0.000 2.386 326 A HA 0.765 5.084 4.320 -0.001 0.000 0.311 326 A C -0.502 176.971 177.584 -0.185 0.000 1.068 326 A CA -0.616 51.328 52.037 -0.156 0.000 0.743 326 A CB 0.958 19.796 19.000 -0.270 0.000 1.258 326 A HN 0.929 nan 8.150 nan 0.000 0.429 327 c N 1.123 119.516 118.600 -0.344 0.000 2.435 327 c HA 0.612 5.181 4.570 -0.001 0.000 0.333 327 c C 0.436 174.310 174.090 -0.360 0.000 1.202 327 c CA -0.675 55.387 56.329 -0.444 0.000 1.830 327 c CB 1.176 43.081 42.510 -1.007 0.000 2.326 327 c HN 0.676 nan 8.230 nan 0.000 0.507 328 V N 2.925 122.759 119.914 -0.133 0.000 2.529 328 V HA 0.231 4.351 4.120 -0.001 0.000 0.292 328 V C 1.046 177.083 176.094 -0.095 0.000 1.028 328 V CA 0.410 62.652 62.300 -0.097 0.000 1.074 328 V CB 0.775 32.581 31.823 -0.029 0.000 0.958 328 V HN 1.078 nan 8.190 nan 0.000 0.481 329 A N 5.531 128.219 122.820 -0.220 0.000 2.503 329 A HA 0.435 4.754 4.320 -0.001 0.000 0.263 329 A C -0.067 177.334 177.584 -0.305 0.000 1.360 329 A CA -0.007 51.967 52.037 -0.104 0.000 0.969 329 A CB -0.692 18.233 19.000 -0.125 0.000 1.000 329 A HN 0.582 nan 8.150 nan 0.000 0.530 330 F N -0.613 119.385 119.950 0.079 0.000 2.427 330 F HA 0.513 5.039 4.527 -0.001 0.000 0.348 330 F C -0.161 175.767 175.800 0.214 0.000 1.125 330 F CA -0.893 57.174 58.000 0.113 0.000 0.989 330 F CB 1.928 40.918 39.000 -0.018 0.000 1.165 330 F HN -0.131 nan 8.300 nan 0.000 0.442 331 V N 2.483 122.596 119.914 0.332 0.000 2.604 331 V HA 0.303 4.422 4.120 -0.001 0.000 0.305 331 V C -0.155 175.947 176.094 0.012 0.000 1.043 331 V CA -1.144 61.212 62.300 0.093 0.000 0.888 331 V CB 1.906 33.597 31.823 -0.220 0.000 0.995 331 V HN 0.689 nan 8.190 nan 0.000 0.429 332 E N 3.765 123.723 120.200 -0.403 0.000 2.344 332 E HA 0.289 4.638 4.350 -0.001 0.000 0.270 332 E C -0.244 176.228 176.600 -0.214 0.000 1.021 332 E CA -0.423 55.653 56.400 -0.541 0.000 0.887 332 E CB 0.709 29.781 29.700 -1.047 0.000 0.997 332 E HN 0.575 nan 8.360 nan 0.000 0.429 333 M N 3.507 123.048 119.600 -0.098 0.000 2.249 333 M HA 0.050 4.530 4.480 -0.001 0.000 0.340 333 M C 0.080 176.338 176.300 -0.070 0.000 1.166 333 M CA 0.917 56.189 55.300 -0.045 0.000 1.115 333 M CB 0.512 33.108 32.600 -0.007 0.000 1.606 333 M HN 0.257 nan 8.290 nan 0.000 0.448 334 K N 0.654 121.024 120.400 -0.049 0.000 2.118 334 K HA 0.522 4.842 4.320 -0.001 0.000 0.254 334 K C 0.774 177.359 176.600 -0.026 0.000 0.961 334 K CA -0.147 56.113 56.287 -0.046 0.000 0.876 334 K CB 1.376 33.850 32.500 -0.044 0.000 1.077 334 K HN 0.908 nan 8.250 nan 0.000 0.440 335 G N 0.095 108.881 108.800 -0.024 0.000 2.179 335 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.257 335 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.257 335 G C -0.371 174.522 174.900 -0.010 0.000 1.010 335 G CA 0.124 45.215 45.100 -0.015 0.000 0.736 335 G HN 0.320 nan 8.290 nan 0.000 0.513 336 V N 0.080 119.986 119.914 -0.012 0.000 2.524 336 V HA 0.769 4.888 4.120 -0.001 0.000 0.297 336 V C 0.608 176.698 176.094 -0.007 0.000 1.035 336 V CA -0.708 61.588 62.300 -0.006 0.000 0.867 336 V CB 1.468 33.291 31.823 -0.001 0.000 1.004 336 V HN 1.163 nan 8.190 nan 0.000 0.426 337 A N 3.769 126.586 122.820 -0.005 0.000 2.462 337 A HA 0.696 5.015 4.320 -0.001 0.000 0.243 337 A C 0.927 178.512 177.584 0.003 0.000 1.076 337 A CA 0.415 52.450 52.037 -0.002 0.000 0.773 337 A CB 0.323 19.322 19.000 -0.002 0.000 1.010 337 A HN 1.674 nan 8.150 nan 0.000 0.493 338 A N 1.305 124.129 122.820 0.007 0.000 2.580 338 A HA 0.443 4.762 4.320 -0.001 0.000 0.244 338 A C 1.656 179.246 177.584 0.010 0.000 1.045 338 A CA 0.955 53.000 52.037 0.014 0.000 0.761 338 A CB -0.945 18.066 19.000 0.018 0.000 0.962 338 A HN 2.796 nan 8.150 nan 0.000 0.512 339 G N 1.874 110.681 108.800 0.011 0.000 2.148 339 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.254 339 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.254 339 G C 0.028 174.929 174.900 0.002 0.000 0.981 339 G CA 0.480 45.584 45.100 0.006 0.000 0.670 339 G HN 1.152 nan 8.290 nan 0.000 0.528 340 D N 0.682 121.084 120.400 0.002 0.000 2.374 340 D HA 0.458 5.098 4.640 -0.001 0.000 0.240 340 D C 1.668 177.965 176.300 -0.005 0.000 1.229 340 D CA 0.424 54.422 54.000 -0.002 0.000 0.895 340 D CB 0.276 41.075 40.800 -0.002 0.000 1.046 340 D HN 0.214 nan 8.370 nan 0.000 0.498 341 G N 3.711 112.505 108.800 -0.010 0.000 2.586 341 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.215 341 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.215 341 G C 1.491 176.374 174.900 -0.029 0.000 1.128 341 G CA 0.139 45.229 45.100 -0.018 0.000 0.774 341 G HN 0.465 nan 8.290 nan 0.000 0.543 342 R N 0.142 120.627 120.500 -0.025 0.000 2.148 342 R HA 0.240 4.579 4.340 -0.001 0.000 0.223 342 R C 1.395 177.679 176.300 -0.027 0.000 1.088 342 R CA 0.563 56.644 56.100 -0.032 0.000 0.985 342 R CB -0.007 30.279 30.300 -0.023 0.000 0.880 342 R HN 0.312 nan 8.270 nan 0.000 0.451 343 A N 2.178 124.992 122.820 -0.009 0.000 2.293 343 A HA 0.439 4.759 4.320 -0.001 0.000 0.302 343 A C -2.303 175.292 177.584 0.019 0.000 1.119 343 A CA -1.826 50.218 52.037 0.012 0.000 0.823 343 A CB 0.255 19.265 19.000 0.017 0.000 1.097 343 A HN -0.096 nan 8.150 nan 0.000 0.491 344 P HA 0.222 nan 4.420 nan 0.000 0.269 344 P C 0.672 177.998 177.300 0.043 0.000 1.215 344 P CA 0.428 63.570 63.100 0.070 0.000 0.780 344 P CB 0.824 32.602 31.700 0.130 0.000 0.898 345 A N 2.420 125.259 122.820 0.032 0.000 1.930 345 A HA 0.058 4.377 4.320 -0.001 0.000 0.217 345 A C 0.704 178.308 177.584 0.033 0.000 1.175 345 A CA 1.496 53.548 52.037 0.026 0.000 0.627 345 A CB -0.355 18.652 19.000 0.012 0.000 0.815 345 A HN 0.430 nan 8.150 nan 0.000 0.443 346 V N 0.162 120.091 119.914 0.025 0.000 2.686 346 V HA 0.405 4.524 4.120 -0.001 0.000 0.306 346 V C -1.064 175.028 176.094 -0.003 0.000 1.065 346 V CA -0.367 61.944 62.300 0.018 0.000 0.894 346 V CB 1.818 33.629 31.823 -0.021 0.000 1.004 346 V HN 0.303 nan 8.190 nan 0.000 0.424 347 I N 5.306 125.878 120.570 0.004 0.000 2.390 347 I HA 0.396 4.566 4.170 -0.001 0.000 0.283 347 I C -0.321 175.753 176.117 -0.071 0.000 1.016 347 I CA -0.384 60.892 61.300 -0.040 0.000 1.151 347 I CB 1.398 39.386 38.000 -0.021 0.000 1.293 347 I HN 0.372 nan 8.210 nan 0.000 0.458 348 L N 5.438 126.565 121.223 -0.160 0.000 2.426 348 L HA 0.432 4.771 4.340 -0.001 0.000 0.271 348 L C 1.000 177.786 176.870 -0.139 0.000 1.169 348 L CA 0.076 54.793 54.840 -0.204 0.000 0.836 348 L CB 0.621 42.414 42.059 -0.443 0.000 1.112 348 L HN 0.679 nan 8.230 nan 0.000 0.465 349 G N 0.698 109.439 108.800 -0.098 0.000 3.075 349 G HA2 0.448 4.407 3.960 -0.001 0.000 0.253 349 G HA3 0.448 4.407 3.960 -0.001 0.000 0.253 349 G C 0.778 175.676 174.900 -0.003 0.000 1.353 349 G CA -0.005 45.054 45.100 -0.069 0.000 1.051 349 G HN 0.700 nan 8.290 nan 0.000 0.553 350 G N -0.233 108.607 108.800 0.066 0.000 2.421 350 G HA2 0.101 4.061 3.960 -0.001 0.000 0.216 350 G HA3 0.101 4.061 3.960 -0.001 0.000 0.216 350 G C 1.816 176.812 174.900 0.161 0.000 1.171 350 G CA 1.777 46.981 45.100 0.173 0.000 0.775 350 G HN 1.020 nan 8.290 nan 0.000 0.543 351 A N -0.232 122.685 122.820 0.161 0.000 2.168 351 A HA 0.139 4.458 4.320 -0.001 0.000 0.215 351 A C 2.213 179.873 177.584 0.126 0.000 1.152 351 A CA 1.532 53.660 52.037 0.152 0.000 0.716 351 A CB -0.088 18.995 19.000 0.139 0.000 0.794 351 A HN 0.380 nan 8.150 nan 0.000 0.465 352 Q N -1.243 118.615 119.800 0.097 0.000 2.402 352 Q HA 0.293 4.632 4.340 -0.001 0.000 0.206 352 Q C 1.685 177.748 176.000 0.105 0.000 0.919 352 Q CA 0.640 56.521 55.803 0.130 0.000 0.923 352 Q CB -0.014 28.765 28.738 0.068 0.000 1.048 352 Q HN 0.692 nan 8.270 nan 0.000 0.515 353 M N -0.115 119.526 119.600 0.069 0.000 2.492 353 M HA 0.098 4.577 4.480 -0.001 0.000 0.255 353 M C -0.109 176.236 176.300 0.074 0.000 1.139 353 M CA 0.229 55.543 55.300 0.023 0.000 1.096 353 M CB 0.472 33.100 32.600 0.047 0.000 1.360 353 M HN 0.075 nan 8.290 nan 0.000 0.480 354 E N 1.775 122.033 120.200 0.096 0.000 2.442 354 E HA -0.109 4.240 4.350 -0.001 0.000 0.262 354 E C -0.279 176.422 176.600 0.169 0.000 1.004 354 E CA 0.266 56.726 56.400 0.099 0.000 0.928 354 E CB 0.250 30.022 29.700 0.119 0.000 0.937 354 E HN 0.157 nan 8.360 nan 0.000 0.446 355 D N 0.713 121.143 120.400 0.050 0.000 2.911 355 D HA -0.212 4.428 4.640 -0.001 0.000 0.227 355 D C -1.002 175.243 176.300 -0.092 0.000 1.164 355 D CA 1.152 55.111 54.000 -0.068 0.000 0.782 355 D CB -1.214 39.515 40.800 -0.117 0.000 1.094 355 D HN 0.179 nan 8.370 nan 0.000 0.425 356 F N -0.430 119.409 119.950 -0.186 0.000 2.480 356 F HA 0.449 4.976 4.527 -0.001 0.000 0.329 356 F C 0.601 176.308 175.800 -0.156 0.000 1.091 356 F CA -1.015 56.852 58.000 -0.222 0.000 0.972 356 F CB 1.609 40.436 39.000 -0.289 0.000 1.150 356 F HN -0.336 nan 8.300 nan 0.000 0.467 357 V N 5.218 125.136 119.914 0.007 0.000 2.408 357 V HA 0.281 4.401 4.120 -0.001 0.000 0.267 357 V C -0.115 176.014 176.094 0.059 0.000 1.047 357 V CA -0.441 61.900 62.300 0.068 0.000 0.937 357 V CB 0.685 32.585 31.823 0.129 0.000 0.999 357 V HN 0.471 nan 8.190 nan 0.000 0.472 358 L N 4.438 125.708 121.223 0.079 0.000 2.325 358 L HA 0.540 4.880 4.340 -0.001 0.000 0.281 358 L C -0.580 176.265 176.870 -0.043 0.000 1.004 358 L CA -0.492 54.340 54.840 -0.014 0.000 0.823 358 L CB 1.952 44.043 42.059 0.053 0.000 1.236 358 L HN 0.539 nan 8.230 nan 0.000 0.415 359 D N 3.332 123.635 120.400 -0.162 0.000 2.473 359 D HA 0.250 4.889 4.640 -0.001 0.000 0.226 359 D C -0.871 175.307 176.300 -0.202 0.000 1.089 359 D CA -0.320 53.627 54.000 -0.089 0.000 0.883 359 D CB 0.418 41.234 40.800 0.027 0.000 1.029 359 D HN 0.072 nan 8.370 nan 0.000 0.517 360 F N 2.549 122.234 119.950 -0.442 0.000 2.464 360 F HA 0.176 4.703 4.527 0.000 0.000 0.353 360 F C 0.855 176.492 175.800 -0.272 0.000 1.191 360 F CA -0.489 57.182 58.000 -0.548 0.000 1.147 360 F CB 0.517 38.688 39.000 -1.383 0.000 1.294 360 F HN 0.193 nan 8.300 nan 0.000 0.583 361 D N 4.557 124.993 120.400 0.060 0.000 2.443 361 D HA 0.212 4.851 4.640 -0.001 0.000 0.221 361 D C 0.543 176.926 176.300 0.139 0.000 1.097 361 D CA -0.158 53.904 54.000 0.103 0.000 0.865 361 D CB 0.863 41.715 40.800 0.087 0.000 1.034 361 D HN 0.501 nan 8.370 nan 0.000 0.511 362 M N 1.777 121.486 119.600 0.182 0.000 2.561 362 M HA 0.083 4.563 4.480 -0.001 0.000 0.238 362 M C 1.462 177.846 176.300 0.141 0.000 1.131 362 M CA 0.342 55.760 55.300 0.196 0.000 1.046 362 M CB 0.599 33.353 32.600 0.257 0.000 1.532 362 M HN 0.311 nan 8.290 nan 0.000 0.497 363 E N 0.805 121.073 120.200 0.114 0.000 2.042 363 E HA -0.075 4.275 4.350 -0.001 0.000 0.189 363 E C 1.479 178.115 176.600 0.059 0.000 0.974 363 E CA 0.851 57.301 56.400 0.082 0.000 0.806 363 E CB 0.130 29.872 29.700 0.071 0.000 0.769 363 E HN 0.408 nan 8.360 nan 0.000 0.451 364 K N 0.775 121.201 120.400 0.043 0.000 2.486 364 K HA 0.027 4.347 4.320 -0.001 0.000 0.194 364 K C -0.203 176.420 176.600 0.038 0.000 1.033 364 K CA 0.171 56.468 56.287 0.016 0.000 1.004 364 K CB 0.132 32.609 32.500 -0.039 0.000 0.798 364 K HN -0.009 nan 8.250 nan 0.000 0.495 365 K N 1.218 121.663 120.400 0.076 0.000 3.257 365 K HA -0.230 4.089 4.320 -0.001 0.000 0.270 365 K C -0.724 175.938 176.600 0.104 0.000 0.984 365 K CA 0.676 57.024 56.287 0.102 0.000 0.739 365 K CB -1.395 31.160 32.500 0.091 0.000 1.351 365 K HN 0.436 nan 8.250 nan 0.000 0.463 366 R N -0.618 119.949 120.500 0.111 0.000 2.707 366 R HA 0.655 4.995 4.340 -0.001 0.000 0.272 366 R C -1.603 174.805 176.300 0.180 0.000 1.011 366 R CA -1.330 54.862 56.100 0.153 0.000 0.893 366 R CB 1.148 31.530 30.300 0.137 0.000 1.233 366 R HN 0.028 nan 8.270 nan 0.000 0.464 367 L N 1.281 122.611 121.223 0.178 0.000 2.325 367 L HA 0.651 4.990 4.340 -0.001 0.000 0.281 367 L C -0.422 176.499 176.870 0.085 0.000 1.004 367 L CA 0.013 54.851 54.840 -0.004 0.000 0.823 367 L CB 1.905 43.850 42.059 -0.190 0.000 1.236 367 L HN 0.888 nan 8.230 nan 0.000 0.415 368 G N 4.410 113.084 108.800 -0.210 0.000 2.356 368 G HA2 0.510 4.470 3.960 -0.001 0.000 0.298 368 G HA3 0.510 4.470 3.960 -0.001 0.000 0.298 368 G C -1.200 173.539 174.900 -0.270 0.000 1.145 368 G CA -0.364 44.249 45.100 -0.812 0.000 0.850 368 G HN 0.640 nan 8.290 nan 0.000 0.487 369 F N 0.169 119.877 119.950 -0.404 0.000 2.716 369 F HA 0.649 5.177 4.527 0.001 0.000 0.354 369 F C -0.375 175.288 175.800 -0.227 0.000 1.168 369 F CA -1.760 56.083 58.000 -0.263 0.000 1.045 369 F CB 1.206 40.042 39.000 -0.273 0.000 1.311 369 F HN 0.182 nan 8.300 nan 0.000 0.477 370 S N 3.793 119.364 115.700 -0.214 0.000 2.461 370 S HA 0.386 4.856 4.470 -0.001 0.000 0.322 370 S C -0.109 174.202 174.600 -0.482 0.000 1.063 370 S CA -0.713 57.296 58.200 -0.318 0.000 1.120 370 S CB 0.689 63.765 63.200 -0.206 0.000 0.968 370 S HN 0.730 nan 8.310 nan 0.000 0.467 371 R N 3.945 123.952 120.500 -0.822 0.000 2.370 371 R HA 0.206 4.545 4.340 -0.001 0.000 0.309 371 R C -0.411 175.457 176.300 -0.720 0.000 1.059 371 R CA -0.248 55.065 56.100 -1.311 0.000 0.981 371 R CB 0.143 29.626 30.300 -1.362 0.000 0.972 371 R HN 0.582 nan 8.270 nan 0.000 0.437 372 L N 7.178 127.994 121.223 -0.679 0.000 2.461 372 L HA 0.198 4.537 4.340 -0.001 0.000 0.272 372 L C -1.467 175.019 176.870 -0.639 0.000 1.197 372 L CA -1.618 52.819 54.840 -0.672 0.000 0.836 372 L CB 0.371 41.994 42.059 -0.727 0.000 1.105 372 L HN 0.580 nan 8.230 nan 0.000 0.477 373 P HA -0.000 nan 4.420 nan 0.000 0.274 373 P C 0.311 177.171 177.300 -0.732 0.000 1.256 373 P CA -0.235 62.495 63.100 -0.616 0.000 0.795 373 P CB 0.313 31.631 31.700 -0.637 0.000 1.038 374 H N 0.847 119.673 119.070 -0.407 0.000 2.456 374 H HA -0.115 4.441 4.556 -0.001 0.000 0.296 374 H C 1.269 176.449 175.328 -0.247 0.000 1.079 374 H CA 1.426 57.319 56.048 -0.257 0.000 1.322 374 H CB -0.900 28.804 29.762 -0.097 0.000 1.388 374 H HN 0.441 nan 8.280 nan 0.000 0.538 375 F N 1.159 120.443 119.950 -1.110 0.000 2.811 375 F HA 0.351 4.877 4.527 -0.002 0.000 0.301 375 F C 0.837 176.399 175.800 -0.395 0.000 1.151 375 F CA 0.161 57.704 58.000 -0.762 0.000 1.412 375 F CB -0.080 38.538 39.000 -0.637 0.000 1.113 375 F HN 0.118 nan 8.300 nan 0.000 0.579 376 T N -0.900 113.190 114.554 -0.773 0.000 2.645 376 T HA 0.832 5.181 4.350 -0.001 0.000 0.273 376 T C -0.533 173.863 174.700 -0.507 0.000 0.960 376 T CA -0.070 61.693 62.100 -0.561 0.000 1.051 376 T CB 1.339 69.754 68.868 -0.755 0.000 1.366 376 T HN 0.474 nan 8.240 nan 0.000 0.536 377 G N -0.936 107.587 108.800 -0.461 0.000 2.328 377 G HA2 0.336 4.295 3.960 -0.001 0.000 0.295 377 G HA3 0.336 4.295 3.960 -0.001 0.000 0.295 377 G C 0.689 175.388 174.900 -0.335 0.000 1.413 377 G CA 0.081 44.961 45.100 -0.367 0.000 0.817 377 G HN 0.851 nan 8.290 nan 0.000 0.546 378 c N 0.134 118.578 118.600 -0.259 0.000 2.440 378 c HA 0.279 4.849 4.570 -0.001 0.000 0.278 378 c C 2.173 176.170 174.090 -0.155 0.000 1.295 378 c CA 0.959 57.148 56.329 -0.233 0.000 1.738 378 c CB -1.026 41.399 42.510 -0.142 0.000 1.987 378 c HN 1.028 nan 8.230 nan 0.000 0.492 379 G N -0.643 108.097 108.800 -0.100 0.000 2.299 379 G HA2 0.392 4.352 3.960 -0.001 0.000 0.256 379 G HA3 0.392 4.352 3.960 -0.001 0.000 0.256 379 G C 1.067 175.929 174.900 -0.064 0.000 1.259 379 G CA 0.601 45.669 45.100 -0.053 0.000 0.943 379 G HN 1.165 nan 8.290 nan 0.000 0.479 380 G N 1.505 110.286 108.800 -0.032 0.000 2.168 380 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.263 380 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.263 380 G C 0.644 175.524 174.900 -0.032 0.000 0.977 380 G CA 0.436 45.525 45.100 -0.019 0.000 0.659 380 G HN 0.747 nan 8.290 nan 0.000 0.533 381 L N 0.000 121.164 121.223 -0.098 0.000 2.949 381 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 381 L CA 0.000 54.728 54.840 -0.186 0.000 0.813 381 L CB 0.000 41.731 42.059 -0.547 0.000 0.961 381 L HN 0.000 nan 8.230 nan 0.000 0.502