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 1bkh_1_C DATA FIRST_RESID 4 DATA SEQUENCE ALIERIDAII VDLPTIXXXX XXXXXXQQQT LVVLRVRCSD GVEGIGEATT DATA SEQUENCE IGGLAYGYES PEGIKANIDA HLAPALIGLA ADNINAAMLK LDKLAKGNTF DATA SEQUENCE AKSGIESALL DAQGKRLGLP VSELLGGRVR DSLEVAWTLA SGDTARDIAE DATA SEQUENCE ARHMLEIRRH RVFKLKIGAN PVEQDLKHVV TIKRELGDSA SVRVDVNQYW DATA SEQUENCE DESQAIRACQ VLGDNGIDLI EQPISRINRG GQVRLNQRTP APIMADESIE DATA SEQUENCE SVEDAFSLAA DGAASIFALK IAKNGGPRAV LRTAQIAEAA GIGLYGGTML DATA SEQUENCE EGSIGTLASA HAFLTLRQLT WGTELFGPLL LTEEIVNEPP QYRDFQLHIP DATA SEQUENCE RTPGLGLTLD EQRLARFAR 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.582 177.584 -0.004 0.000 1.274 4 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 4 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 5 L N 1.928 123.149 121.223 -0.003 0.000 2.330 5 L HA 0.637 4.977 4.340 0.000 0.000 0.271 5 L C 0.126 176.994 176.870 -0.002 0.000 1.013 5 L CA -0.533 54.305 54.840 -0.002 0.000 0.816 5 L CB 1.585 43.643 42.059 -0.002 0.000 1.287 5 L HN 0.670 nan 8.230 nan 0.000 0.435 6 I N 2.040 122.609 120.570 -0.002 0.000 2.436 6 I HA 0.059 4.229 4.170 0.000 0.000 0.289 6 I C 1.283 177.400 176.117 -0.001 0.000 1.083 6 I CA 0.317 61.616 61.300 -0.001 0.000 1.372 6 I CB 0.593 38.593 38.000 -0.000 0.000 1.408 6 I HN 0.756 nan 8.210 nan 0.000 0.516 7 E N 7.132 127.331 120.200 -0.001 0.000 2.251 7 E HA 0.166 4.516 4.350 0.000 0.000 0.194 7 E C 0.461 177.061 176.600 -0.001 0.000 0.964 7 E CA 0.366 56.765 56.400 -0.001 0.000 0.868 7 E CB 0.766 30.465 29.700 -0.001 0.000 0.828 7 E HN 0.536 nan 8.360 nan 0.000 0.481 8 R N -0.003 120.497 120.500 -0.000 0.000 2.629 8 R HA 0.488 4.829 4.340 0.000 0.000 0.266 8 R C -1.492 174.809 176.300 0.002 0.000 1.051 8 R CA -0.565 55.535 56.100 0.001 0.000 0.895 8 R CB 1.801 32.101 30.300 0.001 0.000 1.246 8 R HN 0.008 nan 8.270 nan 0.000 0.459 9 I N 2.155 122.727 120.570 0.003 0.000 2.512 9 I HA 0.290 4.460 4.170 0.000 0.000 0.287 9 I C -1.019 175.103 176.117 0.008 0.000 1.069 9 I CA -0.714 60.590 61.300 0.006 0.000 1.056 9 I CB 2.321 40.326 38.000 0.008 0.000 1.229 9 I HN 0.304 nan 8.210 nan 0.000 0.429 10 D N 5.460 125.865 120.400 0.010 0.000 2.248 10 D HA 0.633 5.273 4.640 0.000 0.000 0.246 10 D C -0.617 175.693 176.300 0.017 0.000 1.027 10 D CA -0.369 53.638 54.000 0.012 0.000 0.853 10 D CB 2.756 43.563 40.800 0.012 0.000 1.243 10 D HN 0.545 nan 8.370 nan 0.000 0.462 11 A N 2.452 125.284 122.820 0.019 0.000 2.323 11 A HA 0.566 4.886 4.320 0.000 0.000 0.305 11 A C -0.649 176.951 177.584 0.027 0.000 1.275 11 A CA -0.578 51.474 52.037 0.025 0.000 0.804 11 A CB 0.024 19.040 19.000 0.028 0.000 1.152 11 A HN 0.432 nan 8.150 nan 0.000 0.487 12 I N 3.120 123.708 120.570 0.031 0.000 2.378 12 I HA 0.353 4.523 4.170 0.000 0.000 0.291 12 I C -0.174 175.967 176.117 0.040 0.000 0.992 12 I CA -0.199 61.122 61.300 0.035 0.000 1.154 12 I CB 1.683 39.705 38.000 0.037 0.000 1.315 12 I HN 0.508 nan 8.210 nan 0.000 0.448 13 I N 6.515 127.110 120.570 0.041 0.000 2.371 13 I HA 0.343 4.513 4.170 0.000 0.000 0.290 13 I C -0.448 175.703 176.117 0.057 0.000 1.028 13 I CA -0.468 60.859 61.300 0.044 0.000 1.345 13 I CB 0.949 38.972 38.000 0.039 0.000 1.407 13 I HN 0.220 nan 8.210 nan 0.000 0.501 14 V N 5.480 125.430 119.914 0.060 0.000 2.656 14 V HA 0.338 4.459 4.120 0.000 0.000 0.307 14 V C -0.772 175.362 176.094 0.068 0.000 1.051 14 V CA -0.790 61.560 62.300 0.084 0.000 0.893 14 V CB 2.267 34.139 31.823 0.082 0.000 0.999 14 V HN 0.593 nan 8.190 nan 0.000 0.426 15 D N 4.429 124.889 120.400 0.100 0.000 2.349 15 D HA 0.500 5.140 4.640 0.000 0.000 0.232 15 D C -0.868 175.457 176.300 0.040 0.000 1.071 15 D CA -0.323 53.721 54.000 0.073 0.000 0.832 15 D CB 2.274 43.130 40.800 0.095 0.000 1.086 15 D HN 0.094 nan 8.370 nan 0.000 0.504 16 L N 3.752 124.932 121.223 -0.072 0.000 2.334 16 L HA 0.468 4.808 4.340 0.000 0.000 0.276 16 L C -2.357 174.432 176.870 -0.135 0.000 1.014 16 L CA -2.414 52.279 54.840 -0.246 0.000 0.815 16 L CB 1.537 43.441 42.059 -0.258 0.000 1.268 16 L HN 0.045 nan 8.230 nan 0.000 0.428 17 P HA 0.320 nan 4.420 nan 0.000 0.279 17 P C -0.798 176.482 177.300 -0.034 0.000 1.239 17 P CA -0.298 62.778 63.100 -0.041 0.000 0.789 17 P CB 0.748 32.447 31.700 -0.001 0.000 0.933 18 T N -0.016 114.539 114.554 0.002 0.000 2.949 18 T HA 0.669 5.020 4.350 0.000 0.000 0.287 18 T C 0.788 175.510 174.700 0.037 0.000 1.034 18 T CA -1.024 61.088 62.100 0.019 0.000 1.018 18 T CB 0.503 69.385 68.868 0.024 0.000 1.135 18 T HN 0.345 nan 8.240 nan 0.000 0.532 31 Q N 0.123 119.935 119.800 0.021 0.000 2.379 31 Q HA 0.700 5.041 4.340 0.000 0.000 0.278 31 Q C -1.230 174.776 176.000 0.009 0.000 1.068 31 Q CA -1.050 54.761 55.803 0.014 0.000 0.816 31 Q CB 1.956 30.710 28.738 0.026 0.000 1.387 31 Q HN -0.069 nan 8.270 nan 0.000 0.413 32 Q N 1.197 120.994 119.800 -0.004 0.000 2.307 32 Q HA 0.426 4.767 4.340 0.000 0.000 0.262 32 Q C -1.360 174.640 176.000 -0.001 0.000 0.961 32 Q CA -0.078 55.723 55.803 -0.004 0.000 0.882 32 Q CB 2.194 30.925 28.738 -0.012 0.000 1.264 32 Q HN 0.721 nan 8.270 nan 0.000 0.446 33 T N 5.018 119.579 114.554 0.012 0.000 2.799 33 T HA 0.638 4.989 4.350 0.000 0.000 0.286 33 T C -0.462 174.252 174.700 0.025 0.000 0.973 33 T CA -0.446 61.667 62.100 0.021 0.000 1.035 33 T CB 0.272 69.156 68.868 0.027 0.000 0.932 33 T HN 0.518 nan 8.240 nan 0.000 0.469 34 L N 2.043 123.282 121.223 0.027 0.000 2.333 34 L HA 0.768 5.108 4.340 0.000 0.000 0.263 34 L C -0.810 176.085 176.870 0.041 0.000 1.014 34 L CA -1.428 53.432 54.840 0.033 0.000 0.820 34 L CB 2.018 44.089 42.059 0.020 0.000 1.352 34 L HN 0.273 nan 8.230 nan 0.000 0.421 35 V N 2.272 122.215 119.914 0.048 0.000 2.334 35 V HA 0.348 4.469 4.120 0.000 0.000 0.281 35 V C -0.065 176.054 176.094 0.041 0.000 1.016 35 V CA -0.606 61.722 62.300 0.048 0.000 0.832 35 V CB 1.765 33.622 31.823 0.057 0.000 0.999 35 V HN 0.431 nan 8.190 nan 0.000 0.439 36 V N 6.869 126.805 119.914 0.036 0.000 2.407 36 V HA 0.464 4.584 4.120 0.000 0.000 0.278 36 V C -0.159 175.951 176.094 0.027 0.000 1.037 36 V CA -0.415 61.903 62.300 0.030 0.000 0.900 36 V CB 1.500 33.342 31.823 0.031 0.000 0.983 36 V HN 0.617 nan 8.190 nan 0.000 0.459 37 L N 6.212 127.448 121.223 0.021 0.000 2.317 37 L HA 0.656 4.996 4.340 0.000 0.000 0.281 37 L C 0.152 177.029 176.870 0.011 0.000 1.024 37 L CA -0.237 54.613 54.840 0.018 0.000 0.810 37 L CB 1.568 43.637 42.059 0.017 0.000 1.240 37 L HN 0.508 nan 8.230 nan 0.000 0.427 38 R N 2.155 122.661 120.500 0.011 0.000 2.483 38 R HA 0.638 4.978 4.340 0.000 0.000 0.303 38 R C -1.311 174.992 176.300 0.004 0.000 0.987 38 R CA -0.770 55.334 56.100 0.007 0.000 0.881 38 R CB 2.202 32.508 30.300 0.009 0.000 1.177 38 R HN 0.471 nan 8.270 nan 0.000 0.451 39 V N 0.697 120.611 119.914 0.000 0.000 2.378 39 V HA 0.604 4.724 4.120 0.000 0.000 0.288 39 V C -0.502 175.590 176.094 -0.003 0.000 1.016 39 V CA -0.945 61.355 62.300 -0.001 0.000 0.840 39 V CB 1.498 33.319 31.823 -0.002 0.000 0.994 39 V HN 0.570 nan 8.190 nan 0.000 0.431 40 R N 4.589 125.088 120.500 -0.001 0.000 2.265 40 R HA 0.680 5.020 4.340 0.000 0.000 0.319 40 R C -0.687 175.611 176.300 -0.003 0.000 1.006 40 R CA -0.255 55.843 56.100 -0.002 0.000 0.880 40 R CB 0.330 30.629 30.300 -0.001 0.000 1.077 40 R HN 0.969 nan 8.270 nan 0.000 0.454 41 C N 2.052 121.349 119.300 -0.004 0.000 2.358 41 C HA 0.300 4.760 4.460 0.000 0.000 0.354 41 C C 1.966 176.954 174.990 -0.004 0.000 1.183 41 C CA -0.154 58.862 59.018 -0.005 0.000 2.150 41 C CB 1.679 29.415 27.740 -0.007 0.000 2.361 41 C HN 1.002 nan 8.230 nan 0.000 0.535 42 S N 0.801 116.499 115.700 -0.003 0.000 2.440 42 S HA -0.192 4.278 4.470 0.000 0.000 0.238 42 S C 0.832 175.430 174.600 -0.003 0.000 1.010 42 S CA 1.865 60.063 58.200 -0.003 0.000 0.972 42 S CB -0.518 62.681 63.200 -0.003 0.000 0.774 42 S HN 0.907 nan 8.310 nan 0.000 0.501 43 D N 0.166 120.564 120.400 -0.004 0.000 2.325 43 D HA 0.317 4.957 4.640 0.000 0.000 0.234 43 D C 1.358 177.655 176.300 -0.004 0.000 1.122 43 D CA 0.401 54.398 54.000 -0.004 0.000 0.850 43 D CB -0.596 40.201 40.800 -0.005 0.000 0.921 43 D HN 0.539 nan 8.370 nan 0.000 0.513 44 G N -0.650 108.148 108.800 -0.004 0.000 2.225 44 G HA2 -0.281 3.679 3.960 0.000 0.000 0.254 44 G HA3 -0.281 3.679 3.960 0.000 0.000 0.254 44 G C 0.219 175.116 174.900 -0.005 0.000 0.988 44 G CA 0.220 45.318 45.100 -0.004 0.000 0.625 44 G HN 0.400 nan 8.290 nan 0.000 0.527 45 V N 1.753 121.663 119.914 -0.006 0.000 2.583 45 V HA 0.540 4.661 4.120 0.000 0.000 0.287 45 V C 0.428 176.517 176.094 -0.009 0.000 1.051 45 V CA 0.397 62.692 62.300 -0.009 0.000 1.010 45 V CB 1.451 33.267 31.823 -0.011 0.000 0.988 45 V HN 0.656 nan 8.190 nan 0.000 0.478 46 E N 3.454 123.649 120.200 -0.009 0.000 2.222 46 E HA 0.732 5.082 4.350 0.000 0.000 0.267 46 E C -0.273 176.319 176.600 -0.013 0.000 0.884 46 E CA -0.756 55.639 56.400 -0.008 0.000 0.764 46 E CB 2.096 31.794 29.700 -0.004 0.000 1.169 46 E HN 0.697 nan 8.360 nan 0.000 0.413 47 G N 3.048 111.839 108.800 -0.014 0.000 2.432 47 G HA2 0.611 4.571 3.960 0.000 0.000 0.331 47 G HA3 0.611 4.571 3.960 0.000 0.000 0.331 47 G C -0.387 174.504 174.900 -0.016 0.000 1.170 47 G CA -1.100 43.988 45.100 -0.020 0.000 0.943 47 G HN 0.700 nan 8.290 nan 0.000 0.483 48 I N -0.789 119.769 120.570 -0.020 0.000 2.646 48 I HA 0.958 5.129 4.170 0.000 0.000 0.299 48 I C 0.156 176.262 176.117 -0.018 0.000 1.036 48 I CA -1.108 60.184 61.300 -0.013 0.000 1.074 48 I CB 2.462 40.458 38.000 -0.007 0.000 1.258 48 I HN 0.696 nan 8.210 nan 0.000 0.430 49 G N 2.930 111.724 108.800 -0.009 0.000 2.725 49 G HA2 0.603 4.563 3.960 0.000 0.000 0.288 49 G HA3 0.603 4.563 3.960 0.000 0.000 0.288 49 G C -2.106 172.793 174.900 -0.002 0.000 1.399 49 G CA -0.565 44.528 45.100 -0.013 0.000 0.859 49 G HN 0.848 nan 8.290 nan 0.000 0.479 50 E N -0.810 119.388 120.200 -0.004 0.000 2.290 50 E HA 0.584 4.934 4.350 0.000 0.000 0.274 50 E C -1.107 175.505 176.600 0.020 0.000 0.889 50 E CA -0.990 55.415 56.400 0.009 0.000 0.760 50 E CB 1.968 31.668 29.700 0.000 0.000 1.206 50 E HN 0.752 nan 8.360 nan 0.000 0.419 51 A N 3.501 126.355 122.820 0.057 0.000 2.323 51 A HA 0.585 4.905 4.320 0.000 0.000 0.305 51 A C -0.791 176.889 177.584 0.158 0.000 1.275 51 A CA -0.384 51.724 52.037 0.118 0.000 0.804 51 A CB 1.331 20.416 19.000 0.141 0.000 1.152 51 A HN 0.463 nan 8.150 nan 0.000 0.487 52 T N 1.172 115.841 114.554 0.191 0.000 2.893 52 T HA 0.745 5.095 4.350 0.000 0.000 0.291 52 T C -0.222 174.681 174.700 0.338 0.000 1.028 52 T CA -0.356 61.853 62.100 0.182 0.000 0.995 52 T CB 1.878 70.792 68.868 0.076 0.000 1.051 52 T HN 0.678 nan 8.240 nan 0.000 0.470 53 T N 1.146 115.835 114.554 0.225 0.000 2.838 53 T HA 0.737 5.087 4.350 0.000 0.000 0.292 53 T C -1.341 173.410 174.700 0.085 0.000 1.113 53 T CA -0.702 61.534 62.100 0.227 0.000 1.008 53 T CB 0.802 69.643 68.868 -0.045 0.000 1.259 53 T HN 0.472 nan 8.240 nan 0.000 0.520 54 I N 1.997 122.604 120.570 0.062 0.000 2.354 54 I HA 0.475 4.645 4.170 0.000 0.000 0.292 54 I C 1.095 177.277 176.117 0.108 0.000 0.989 54 I CA -0.608 60.681 61.300 -0.018 0.000 1.188 54 I CB 1.273 39.090 38.000 -0.305 0.000 1.342 54 I HN 0.979 nan 8.210 nan 0.000 0.457 55 G N 5.050 113.896 108.800 0.077 0.000 2.247 55 G HA2 -0.056 3.904 3.960 0.000 0.000 0.260 55 G HA3 -0.056 3.904 3.960 0.000 0.000 0.260 55 G C 0.928 175.884 174.900 0.093 0.000 0.852 55 G CA 0.417 45.582 45.100 0.108 0.000 1.281 55 G HN 1.388 nan 8.290 nan 0.000 0.378 56 G N 0.685 109.509 108.800 0.041 0.000 2.692 56 G HA2 -0.356 3.605 3.960 0.000 0.000 0.339 56 G HA3 -0.356 3.605 3.960 0.000 0.000 0.339 56 G C 1.252 176.140 174.900 -0.021 0.000 1.226 56 G CA 1.071 46.176 45.100 0.008 0.000 0.979 56 G HN 1.464 nan 8.290 nan 0.000 0.549 57 L N 1.691 122.901 121.223 -0.022 0.000 2.640 57 L HA 0.435 4.775 4.340 0.000 0.000 0.230 57 L C 3.029 179.848 176.870 -0.085 0.000 1.123 57 L CA 0.869 55.676 54.840 -0.054 0.000 0.900 57 L CB 0.001 42.041 42.059 -0.031 0.000 1.146 57 L HN 0.621 nan 8.230 nan 0.000 0.484 58 A N -0.365 122.412 122.820 -0.072 0.000 2.019 58 A HA -0.145 4.175 4.320 0.000 0.000 0.219 58 A C 1.181 178.438 177.584 -0.546 0.000 1.164 58 A CA 1.379 53.272 52.037 -0.240 0.000 0.644 58 A CB -0.390 18.507 19.000 -0.172 0.000 0.805 58 A HN 0.470 nan 8.150 nan 0.000 0.449 59 Y N -0.892 119.350 120.300 -0.095 0.000 2.734 59 Y HA 0.481 5.032 4.550 0.000 0.000 0.278 59 Y C 0.907 176.709 175.900 -0.165 0.000 1.108 59 Y CA 0.128 58.166 58.100 -0.104 0.000 1.211 59 Y CB 0.561 38.992 38.460 -0.050 0.000 1.182 59 Y HN 0.394 nan 8.280 nan 0.000 0.547 60 G N -1.762 106.906 108.800 -0.219 0.000 2.339 60 G HA2 0.029 3.989 3.960 0.000 0.000 0.302 60 G HA3 0.029 3.989 3.960 0.000 0.000 0.302 60 G C -0.854 173.828 174.900 -0.362 0.000 1.425 60 G CA -0.932 43.919 45.100 -0.416 0.000 0.899 60 G HN -0.019 nan 8.290 nan 0.000 0.619 61 Y N -0.094 120.120 120.300 -0.144 0.000 2.544 61 Y HA 0.288 4.838 4.550 0.001 0.000 0.286 61 Y C 1.350 177.154 175.900 -0.160 0.000 1.141 61 Y CA 0.302 58.331 58.100 -0.118 0.000 1.299 61 Y CB 0.230 38.648 38.460 -0.070 0.000 1.030 61 Y HN 0.404 nan 8.280 nan 0.000 0.543 62 E N 1.057 121.147 120.200 -0.183 0.000 2.134 62 E HA 0.364 4.715 4.350 0.000 0.000 0.278 62 E C -0.232 176.202 176.600 -0.276 0.000 0.959 62 E CA -0.505 55.750 56.400 -0.242 0.000 0.783 62 E CB 1.111 30.594 29.700 -0.362 0.000 1.095 62 E HN 0.170 nan 8.360 nan 0.000 0.399 63 S N 2.079 117.701 115.700 -0.132 0.000 2.664 63 S HA 0.413 4.883 4.470 0.000 0.000 0.304 63 S C -2.126 172.443 174.600 -0.052 0.000 1.099 63 S CA -1.569 56.578 58.200 -0.089 0.000 1.003 63 S CB 1.857 65.032 63.200 -0.042 0.000 1.092 63 S HN 0.120 nan 8.310 nan 0.000 0.525 64 P HA -0.080 nan 4.420 nan 0.000 0.216 64 P C 0.891 178.198 177.300 0.012 0.000 1.150 64 P CA 1.296 64.400 63.100 0.006 0.000 0.837 64 P CB 0.024 31.734 31.700 0.017 0.000 0.786 65 E N -0.764 119.441 120.200 0.008 0.000 2.072 65 E HA -0.078 4.272 4.350 0.000 0.000 0.191 65 E C 2.311 178.921 176.600 0.017 0.000 0.985 65 E CA 1.543 57.951 56.400 0.014 0.000 0.801 65 E CB -1.316 28.391 29.700 0.012 0.000 0.750 65 E HN 0.215 nan 8.360 nan 0.000 0.452 66 G N 0.514 109.320 108.800 0.010 0.000 2.408 66 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 66 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 66 G C 1.622 176.539 174.900 0.029 0.000 1.150 66 G CA 0.560 45.670 45.100 0.017 0.000 0.776 66 G HN 0.141 nan 8.290 nan 0.000 0.542 67 I N 0.349 120.932 120.570 0.022 0.000 2.179 67 I HA -0.166 4.005 4.170 0.000 0.000 0.242 67 I C 2.729 178.875 176.117 0.048 0.000 1.088 67 I CA 1.428 62.753 61.300 0.041 0.000 1.357 67 I CB -0.158 37.870 38.000 0.046 0.000 1.051 67 I HN 0.117 nan 8.210 nan 0.000 0.409 68 K N 1.213 121.636 120.400 0.038 0.000 2.057 68 K HA -0.196 4.124 4.320 0.000 0.000 0.207 68 K C 2.195 178.816 176.600 0.035 0.000 1.049 68 K CA 1.511 57.819 56.287 0.035 0.000 0.931 68 K CB -0.091 32.426 32.500 0.029 0.000 0.714 68 K HN 0.305 nan 8.250 nan 0.000 0.440 69 A N 1.763 124.606 122.820 0.038 0.000 1.877 69 A HA -0.178 4.142 4.320 0.000 0.000 0.216 69 A C 1.829 179.455 177.584 0.070 0.000 1.186 69 A CA 1.700 53.762 52.037 0.042 0.000 0.620 69 A CB -0.543 18.484 19.000 0.046 0.000 0.822 69 A HN 0.379 nan 8.150 nan 0.000 0.443 70 N N -0.304 118.454 118.700 0.097 0.000 2.331 70 N HA -0.004 4.736 4.740 0.000 0.000 0.180 70 N C 1.661 177.249 175.510 0.129 0.000 1.019 70 N CA 1.116 54.265 53.050 0.164 0.000 0.881 70 N CB -0.246 38.318 38.487 0.127 0.000 0.972 70 N HN 0.559 nan 8.380 nan 0.000 0.435 71 I N 1.100 121.716 120.570 0.076 0.000 2.233 71 I HA -0.203 3.968 4.170 0.000 0.000 0.243 71 I C 1.595 177.730 176.117 0.029 0.000 1.093 71 I CA 1.002 62.336 61.300 0.056 0.000 1.380 71 I CB -0.083 37.945 38.000 0.046 0.000 1.067 71 I HN -0.071 nan 8.210 nan 0.000 0.413 72 D N 1.044 121.451 120.400 0.013 0.000 2.097 72 D HA -0.131 4.509 4.640 0.000 0.000 0.197 72 D C 2.202 178.462 176.300 -0.066 0.000 0.984 72 D CA 1.685 55.675 54.000 -0.017 0.000 0.826 72 D CB -0.140 40.651 40.800 -0.014 0.000 0.973 72 D HN 0.335 nan 8.370 nan 0.000 0.460 73 A N -0.394 122.356 122.820 -0.116 0.000 1.930 73 A HA -0.082 4.238 4.320 0.000 0.000 0.215 73 A C 1.447 178.708 177.584 -0.539 0.000 1.176 73 A CA 1.340 53.173 52.037 -0.341 0.000 0.632 73 A CB -0.310 18.422 19.000 -0.447 0.000 0.819 73 A HN 0.293 nan 8.150 nan 0.000 0.445 74 H N -2.558 116.518 119.070 0.009 0.000 2.258 74 H HA 0.285 4.842 4.556 0.000 0.000 0.250 74 H C 1.575 176.909 175.328 0.010 0.000 0.908 74 H CA 0.132 56.185 56.048 0.008 0.000 1.096 74 H CB -0.090 29.676 29.762 0.008 0.000 1.422 74 H HN 0.223 nan 8.280 nan 0.000 0.469 75 L N 1.245 122.552 121.223 0.140 0.000 1.994 75 L HA -0.048 4.293 4.340 0.000 0.000 0.208 75 L C 2.550 179.449 176.870 0.048 0.000 1.071 75 L CA 2.041 56.931 54.840 0.082 0.000 0.745 75 L CB -1.125 40.978 42.059 0.073 0.000 0.892 75 L HN 0.390 nan 8.230 nan 0.000 0.431 76 A N -0.245 122.594 122.820 0.033 0.000 1.877 76 A HA -0.106 4.214 4.320 0.000 0.000 0.216 76 A C 0.179 177.770 177.584 0.011 0.000 1.186 76 A CA 1.605 53.653 52.037 0.017 0.000 0.620 76 A CB -1.944 17.062 19.000 0.010 0.000 0.822 76 A HN 0.325 nan 8.150 nan 0.000 0.443 77 P HA -0.168 nan 4.420 nan 0.000 0.216 77 P C 1.564 178.870 177.300 0.009 0.000 1.150 77 P CA 1.942 65.040 63.100 -0.002 0.000 0.843 77 P CB -0.092 31.598 31.700 -0.018 0.000 0.787 78 A N -1.376 121.456 122.820 0.021 0.000 2.121 78 A HA -0.084 4.237 4.320 0.000 0.000 0.218 78 A C 1.989 179.583 177.584 0.016 0.000 1.154 78 A CA 1.191 53.242 52.037 0.023 0.000 0.679 78 A CB -1.240 17.781 19.000 0.034 0.000 0.795 78 A HN 0.174 nan 8.150 nan 0.000 0.458 79 L N -0.240 120.992 121.223 0.014 0.000 2.515 79 L HA 0.178 4.518 4.340 0.000 0.000 0.223 79 L C -0.041 176.833 176.870 0.006 0.000 1.079 79 L CA -0.432 54.414 54.840 0.010 0.000 0.857 79 L CB -0.113 41.952 42.059 0.011 0.000 1.050 79 L HN 0.157 nan 8.230 nan 0.000 0.476 80 I N 1.777 122.350 120.570 0.005 0.000 2.741 80 I HA 0.010 4.180 4.170 0.000 0.000 0.288 80 I C 1.463 177.581 176.117 0.002 0.000 1.192 80 I CA 1.292 62.593 61.300 0.002 0.000 1.426 80 I CB -0.401 37.599 38.000 0.001 0.000 1.367 80 I HN 0.432 nan 8.210 nan 0.000 0.563 81 G N 4.908 113.708 108.800 0.001 0.000 2.176 81 G HA2 -0.215 3.745 3.960 0.000 0.000 0.232 81 G HA3 -0.215 3.745 3.960 0.000 0.000 0.232 81 G C 0.013 174.914 174.900 0.001 0.000 0.986 81 G CA -0.432 44.669 45.100 0.001 0.000 0.643 81 G HN 0.413 nan 8.290 nan 0.000 0.522 82 L N 1.239 122.463 121.223 0.002 0.000 2.439 82 L HA 0.806 5.146 4.340 0.000 0.000 0.259 82 L C 1.197 178.067 176.870 -0.000 0.000 1.129 82 L CA 0.102 54.943 54.840 0.001 0.000 0.803 82 L CB 0.910 42.970 42.059 0.003 0.000 1.161 82 L HN 0.514 nan 8.230 nan 0.000 0.462 83 A N 0.905 123.725 122.820 -0.001 0.000 2.488 83 A HA 0.475 4.795 4.320 0.000 0.000 0.249 83 A C 1.084 178.666 177.584 -0.003 0.000 1.083 83 A CA 0.326 52.362 52.037 -0.002 0.000 0.768 83 A CB 0.076 19.075 19.000 -0.002 0.000 1.017 83 A HN 0.931 nan 8.150 nan 0.000 0.496 84 A N 2.162 124.979 122.820 -0.004 0.000 1.930 84 A HA -0.091 4.229 4.320 0.000 0.000 0.217 84 A C 1.474 179.053 177.584 -0.008 0.000 1.175 84 A CA 1.650 53.683 52.037 -0.006 0.000 0.627 84 A CB -0.346 18.650 19.000 -0.007 0.000 0.815 84 A HN 0.863 nan 8.150 nan 0.000 0.443 85 D N -0.870 119.525 120.400 -0.008 0.000 2.349 85 D HA -0.045 4.595 4.640 0.000 0.000 0.224 85 D C 0.158 176.454 176.300 -0.007 0.000 1.029 85 D CA 0.066 54.060 54.000 -0.009 0.000 0.879 85 D CB -0.471 40.324 40.800 -0.008 0.000 0.906 85 D HN 0.244 nan 8.370 nan 0.000 0.528 86 N N 1.115 119.812 118.700 -0.005 0.000 3.044 86 N HA 0.177 4.917 4.740 0.000 0.000 0.254 86 N C 0.940 176.447 175.510 -0.004 0.000 1.253 86 N CA -0.346 52.701 53.050 -0.004 0.000 0.944 86 N CB 0.252 38.738 38.487 -0.002 0.000 1.217 86 N HN 0.081 nan 8.380 nan 0.000 0.498 87 I N 0.712 121.278 120.570 -0.006 0.000 2.315 87 I HA -0.227 3.944 4.170 0.000 0.000 0.248 87 I C 2.269 178.384 176.117 -0.003 0.000 1.117 87 I CA 0.676 61.973 61.300 -0.006 0.000 1.404 87 I CB -0.126 37.867 38.000 -0.010 0.000 1.071 87 I HN 0.545 nan 8.210 nan 0.000 0.419 88 N N 1.299 119.998 118.700 -0.002 0.000 2.069 88 N HA -0.216 4.524 4.740 0.000 0.000 0.191 88 N C 2.016 177.527 175.510 0.001 0.000 1.031 88 N CA 1.514 54.564 53.050 0.000 0.000 0.852 88 N CB 0.048 38.535 38.487 0.000 0.000 1.018 88 N HN 0.331 nan 8.380 nan 0.000 0.423 89 A N 0.914 123.734 122.820 0.001 0.000 1.902 89 A HA -0.011 4.309 4.320 0.000 0.000 0.217 89 A C 2.374 179.960 177.584 0.003 0.000 1.181 89 A CA 1.761 53.800 52.037 0.002 0.000 0.623 89 A CB -0.937 18.064 19.000 0.001 0.000 0.818 89 A HN 0.515 nan 8.150 nan 0.000 0.443 90 A N -0.797 122.025 122.820 0.003 0.000 1.902 90 A HA -0.127 4.193 4.320 0.000 0.000 0.217 90 A C 2.164 179.753 177.584 0.008 0.000 1.181 90 A CA 2.068 54.108 52.037 0.005 0.000 0.623 90 A CB -0.458 18.544 19.000 0.004 0.000 0.818 90 A HN 0.436 nan 8.150 nan 0.000 0.443 91 M N -1.260 118.344 119.600 0.006 0.000 2.200 91 M HA 0.015 4.495 4.480 0.000 0.000 0.265 91 M C 1.983 178.289 176.300 0.009 0.000 1.066 91 M CA 0.944 56.249 55.300 0.009 0.000 1.127 91 M CB -1.417 31.187 32.600 0.006 0.000 1.379 91 M HN 0.321 nan 8.290 nan 0.000 0.420 92 L N 0.662 121.889 121.223 0.007 0.000 2.083 92 L HA -0.148 4.192 4.340 0.000 0.000 0.209 92 L C 2.452 179.327 176.870 0.007 0.000 1.083 92 L CA 1.771 56.614 54.840 0.006 0.000 0.752 92 L CB -1.014 41.047 42.059 0.003 0.000 0.899 92 L HN 0.304 nan 8.230 nan 0.000 0.433 93 K N -0.787 119.618 120.400 0.008 0.000 2.057 93 K HA -0.139 4.181 4.320 0.000 0.000 0.206 93 K C 2.079 178.687 176.600 0.014 0.000 1.050 93 K CA 1.205 57.498 56.287 0.010 0.000 0.935 93 K CB -0.092 32.414 32.500 0.011 0.000 0.715 93 K HN 0.272 nan 8.250 nan 0.000 0.439 94 L N 0.837 122.069 121.223 0.016 0.000 2.046 94 L HA -0.200 4.140 4.340 0.000 0.000 0.208 94 L C 1.972 178.852 176.870 0.018 0.000 1.077 94 L CA 1.171 56.023 54.840 0.021 0.000 0.747 94 L CB -0.572 41.502 42.059 0.025 0.000 0.896 94 L HN 0.260 nan 8.230 nan 0.000 0.432 95 D N 0.254 120.663 120.400 0.014 0.000 2.123 95 D HA -0.201 4.439 4.640 0.000 0.000 0.196 95 D C 2.142 178.445 176.300 0.006 0.000 0.992 95 D CA 1.215 55.222 54.000 0.012 0.000 0.833 95 D CB 0.015 40.822 40.800 0.010 0.000 0.954 95 D HN 0.202 nan 8.370 nan 0.000 0.455 96 K N 0.157 120.560 120.400 0.005 0.000 2.057 96 K HA -0.035 4.285 4.320 0.000 0.000 0.207 96 K C 2.126 178.726 176.600 0.001 0.000 1.049 96 K CA 0.705 56.993 56.287 0.002 0.000 0.931 96 K CB 0.014 32.517 32.500 0.004 0.000 0.714 96 K HN 0.109 nan 8.250 nan 0.000 0.440 97 L N -0.254 120.973 121.223 0.005 0.000 2.270 97 L HA 0.114 4.454 4.340 0.000 0.000 0.210 97 L C 0.570 177.434 176.870 -0.010 0.000 1.104 97 L CA -0.032 54.811 54.840 0.004 0.000 0.804 97 L CB 0.132 42.204 42.059 0.021 0.000 0.937 97 L HN 0.079 nan 8.230 nan 0.000 0.450 98 A N -0.047 122.769 122.820 -0.006 0.000 2.398 98 A HA 0.536 4.856 4.320 0.000 0.000 0.301 98 A C -0.744 176.835 177.584 -0.008 0.000 1.041 98 A CA -0.714 51.313 52.037 -0.017 0.000 0.711 98 A CB 1.270 20.267 19.000 -0.005 0.000 1.240 98 A HN -0.143 nan 8.150 nan 0.000 0.420 99 K N 1.381 121.768 120.400 -0.021 0.000 2.205 99 K HA 0.530 4.851 4.320 0.000 0.000 0.279 99 K C 1.143 177.743 176.600 0.001 0.000 1.027 99 K CA 0.980 57.259 56.287 -0.014 0.000 0.932 99 K CB 1.282 33.761 32.500 -0.035 0.000 1.032 99 K HN 1.598 nan 8.250 nan 0.000 0.466 100 G N 3.247 112.063 108.800 0.027 0.000 2.611 100 G HA2 -0.403 3.557 3.960 0.000 0.000 0.301 100 G HA3 -0.403 3.557 3.960 0.000 0.000 0.301 100 G C -0.006 174.949 174.900 0.091 0.000 1.233 100 G CA 0.369 45.512 45.100 0.072 0.000 0.993 100 G HN 0.870 nan 8.290 nan 0.000 0.553 101 N N -0.139 118.638 118.700 0.127 0.000 2.735 101 N HA -0.259 4.482 4.740 0.000 0.000 0.248 101 N C 1.564 177.173 175.510 0.166 0.000 1.083 101 N CA 1.936 55.068 53.050 0.136 0.000 0.703 101 N CB -1.391 37.144 38.487 0.080 0.000 1.005 101 N HN 1.498 nan 8.380 nan 0.000 0.550 102 T N -3.256 111.424 114.554 0.210 0.000 2.788 102 T HA -0.134 4.216 4.350 0.000 0.000 0.268 102 T C 1.547 176.343 174.700 0.161 0.000 1.044 102 T CA 1.048 63.244 62.100 0.160 0.000 1.139 102 T CB -0.323 68.621 68.868 0.127 0.000 0.867 102 T HN 0.218 nan 8.240 nan 0.000 0.454 103 F N 2.459 122.427 119.950 0.031 0.000 2.102 103 F HA 0.205 4.732 4.527 0.000 0.000 0.298 103 F C 3.018 178.829 175.800 0.019 0.000 1.105 103 F CA 0.667 58.678 58.000 0.020 0.000 1.239 103 F CB -1.167 37.845 39.000 0.020 0.000 0.991 103 F HN 0.264 nan 8.300 nan 0.000 0.474 104 A N -0.011 122.949 122.820 0.233 0.000 1.902 104 A HA -0.223 4.097 4.320 0.000 0.000 0.217 104 A C 2.199 179.836 177.584 0.087 0.000 1.181 104 A CA 1.849 53.966 52.037 0.133 0.000 0.623 104 A CB -0.688 18.378 19.000 0.109 0.000 0.818 104 A HN 0.358 nan 8.150 nan 0.000 0.443 105 K N -0.430 120.018 120.400 0.080 0.000 2.148 105 K HA -0.081 4.239 4.320 0.000 0.000 0.204 105 K C 2.376 178.989 176.600 0.022 0.000 1.050 105 K CA 1.197 57.512 56.287 0.046 0.000 0.942 105 K CB -0.179 32.347 32.500 0.044 0.000 0.724 105 K HN 0.441 nan 8.250 nan 0.000 0.446 106 S N 0.313 116.020 115.700 0.012 0.000 2.368 106 S HA -0.100 4.370 4.470 0.000 0.000 0.224 106 S C 2.094 176.682 174.600 -0.020 0.000 1.029 106 S CA 1.469 59.652 58.200 -0.029 0.000 0.988 106 S CB -0.437 62.710 63.200 -0.089 0.000 0.838 106 S HN 0.480 nan 8.310 nan 0.000 0.462 107 G N 1.202 110.006 108.800 0.006 0.000 2.418 107 G HA2 -0.105 3.855 3.960 0.000 0.000 0.217 107 G HA3 -0.105 3.855 3.960 0.000 0.000 0.217 107 G C 1.396 176.299 174.900 0.004 0.000 1.158 107 G CA 0.904 46.009 45.100 0.008 0.000 0.771 107 G HN 0.559 nan 8.290 nan 0.000 0.545 108 I N 0.266 120.844 120.570 0.013 0.000 2.252 108 I HA -0.109 4.062 4.170 0.000 0.000 0.245 108 I C 2.638 178.752 176.117 -0.004 0.000 1.102 108 I CA 1.390 62.695 61.300 0.008 0.000 1.385 108 I CB -0.154 37.857 38.000 0.018 0.000 1.064 108 I HN 0.252 nan 8.210 nan 0.000 0.414 109 E N 0.565 120.760 120.200 -0.008 0.000 2.077 109 E HA -0.206 4.144 4.350 0.000 0.000 0.193 109 E C 2.271 178.853 176.600 -0.030 0.000 0.989 109 E CA 1.600 57.990 56.400 -0.017 0.000 0.800 109 E CB 0.100 29.789 29.700 -0.018 0.000 0.746 109 E HN 0.373 nan 8.360 nan 0.000 0.452 110 S N 0.407 116.086 115.700 -0.036 0.000 2.370 110 S HA -0.210 4.260 4.470 0.000 0.000 0.226 110 S C 2.026 176.598 174.600 -0.047 0.000 1.033 110 S CA 1.104 59.274 58.200 -0.050 0.000 1.011 110 S CB -0.291 62.879 63.200 -0.051 0.000 0.852 110 S HN 0.479 nan 8.310 nan 0.000 0.457 111 A N 1.149 123.951 122.820 -0.031 0.000 1.898 111 A HA 0.006 4.326 4.320 0.000 0.000 0.216 111 A C 2.018 179.585 177.584 -0.029 0.000 1.181 111 A CA 1.107 53.128 52.037 -0.026 0.000 0.620 111 A CB -0.584 18.409 19.000 -0.013 0.000 0.819 111 A HN 0.365 nan 8.150 nan 0.000 0.442 112 L N -0.486 120.722 121.223 -0.025 0.000 2.093 112 L HA -0.060 4.281 4.340 0.000 0.000 0.208 112 L C 2.408 179.258 176.870 -0.034 0.000 1.085 112 L CA 1.331 56.157 54.840 -0.024 0.000 0.755 112 L CB -0.850 41.199 42.059 -0.017 0.000 0.904 112 L HN 0.360 nan 8.230 nan 0.000 0.435 113 L N -1.113 120.083 121.223 -0.045 0.000 2.109 113 L HA -0.183 4.158 4.340 0.000 0.000 0.207 113 L C 2.201 179.024 176.870 -0.079 0.000 1.086 113 L CA 1.094 55.898 54.840 -0.061 0.000 0.760 113 L CB -0.402 41.615 42.059 -0.071 0.000 0.910 113 L HN 0.259 nan 8.230 nan 0.000 0.437 114 D N 0.217 120.569 120.400 -0.080 0.000 2.097 114 D HA -0.206 4.435 4.640 0.000 0.000 0.195 114 D C 2.170 178.431 176.300 -0.064 0.000 0.989 114 D CA 1.540 55.488 54.000 -0.087 0.000 0.827 114 D CB 0.125 40.883 40.800 -0.071 0.000 0.966 114 D HN 0.227 nan 8.370 nan 0.000 0.456 115 A N -0.160 122.633 122.820 -0.046 0.000 1.902 115 A HA -0.223 4.097 4.320 0.000 0.000 0.217 115 A C 2.220 179.784 177.584 -0.033 0.000 1.181 115 A CA 2.098 54.115 52.037 -0.033 0.000 0.623 115 A CB -0.970 18.015 19.000 -0.024 0.000 0.818 115 A HN 0.369 nan 8.150 nan 0.000 0.443 116 Q N -0.203 119.575 119.800 -0.036 0.000 2.119 116 Q HA -0.000 4.340 4.340 0.000 0.000 0.201 116 Q C 1.892 177.870 176.000 -0.037 0.000 0.972 116 Q CA 1.992 57.776 55.803 -0.032 0.000 0.847 116 Q CB -0.831 27.889 28.738 -0.030 0.000 0.903 116 Q HN 0.493 nan 8.270 nan 0.000 0.433 117 G N 0.343 109.112 108.800 -0.053 0.000 2.402 117 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 117 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 117 G C 1.278 176.151 174.900 -0.045 0.000 1.162 117 G CA 0.825 45.890 45.100 -0.058 0.000 0.777 117 G HN 0.349 nan 8.290 nan 0.000 0.539 118 K N -0.111 120.263 120.400 -0.043 0.000 2.026 118 K HA -0.041 4.279 4.320 0.000 0.000 0.208 118 K C 2.546 179.132 176.600 -0.023 0.000 1.048 118 K CA 1.064 57.333 56.287 -0.031 0.000 0.929 118 K CB -0.172 32.311 32.500 -0.029 0.000 0.713 118 K HN 0.181 nan 8.250 nan 0.000 0.439 119 R N 0.601 121.087 120.500 -0.022 0.000 2.105 119 R HA -0.136 4.204 4.340 0.000 0.000 0.239 119 R C 1.228 177.519 176.300 -0.015 0.000 1.135 119 R CA 1.288 57.378 56.100 -0.017 0.000 0.967 119 R CB 0.038 30.329 30.300 -0.016 0.000 0.861 119 R HN 0.054 nan 8.270 nan 0.000 0.442 120 L N -0.349 120.864 121.223 -0.017 0.000 2.640 120 L HA 0.322 4.663 4.340 0.000 0.000 0.230 120 L C 1.077 177.940 176.870 -0.012 0.000 1.123 120 L CA 1.123 55.955 54.840 -0.013 0.000 0.900 120 L CB 0.479 42.530 42.059 -0.014 0.000 1.146 120 L HN 0.476 nan 8.230 nan 0.000 0.484 121 G N 0.094 108.885 108.800 -0.015 0.000 2.160 121 G HA2 -0.265 3.695 3.960 0.000 0.000 0.251 121 G HA3 -0.265 3.695 3.960 0.000 0.000 0.251 121 G C 0.142 175.035 174.900 -0.011 0.000 1.008 121 G CA 0.606 45.699 45.100 -0.012 0.000 0.724 121 G HN 0.303 nan 8.290 nan 0.000 0.514 122 L N 0.265 121.479 121.223 -0.016 0.000 2.333 122 L HA 0.649 4.990 4.340 0.000 0.000 0.269 122 L C -1.946 174.908 176.870 -0.026 0.000 1.010 122 L CA -2.791 52.042 54.840 -0.013 0.000 0.818 122 L CB 2.196 44.249 42.059 -0.010 0.000 1.306 122 L HN -0.131 nan 8.230 nan 0.000 0.430 123 P HA 0.073 nan 4.420 nan 0.000 0.274 123 P C 0.793 178.049 177.300 -0.073 0.000 1.237 123 P CA -0.369 62.719 63.100 -0.020 0.000 0.793 123 P CB 1.548 33.316 31.700 0.114 0.000 0.977 124 V N 1.877 121.617 119.914 -0.289 0.000 2.392 124 V HA -0.252 3.868 4.120 0.000 0.000 0.249 124 V C 2.650 178.733 176.094 -0.018 0.000 1.059 124 V CA 2.903 65.062 62.300 -0.235 0.000 1.051 124 V CB -1.576 29.992 31.823 -0.426 0.000 0.658 124 V HN 0.716 nan 8.190 nan 0.000 0.455 125 S N -0.858 114.971 115.700 0.215 0.000 2.419 125 S HA -0.233 4.238 4.470 0.000 0.000 0.233 125 S C 1.881 176.528 174.600 0.077 0.000 1.016 125 S CA 1.400 59.705 58.200 0.175 0.000 0.974 125 S CB -0.350 62.961 63.200 0.185 0.000 0.786 125 S HN 0.645 nan 8.310 nan 0.000 0.492 126 E N 1.515 121.753 120.200 0.063 0.000 2.072 126 E HA 0.012 4.362 4.350 0.000 0.000 0.190 126 E C 2.054 178.663 176.600 0.015 0.000 0.982 126 E CA 0.914 57.332 56.400 0.031 0.000 0.803 126 E CB -0.265 29.448 29.700 0.022 0.000 0.755 126 E HN 0.584 nan 8.360 nan 0.000 0.453 127 L N 0.481 121.705 121.223 0.002 0.000 2.131 127 L HA -0.127 4.213 4.340 0.000 0.000 0.210 127 L C 2.299 179.170 176.870 0.001 0.000 1.092 127 L CA 0.618 55.454 54.840 -0.007 0.000 0.759 127 L CB -0.249 41.796 42.059 -0.024 0.000 0.903 127 L HN 0.099 nan 8.230 nan 0.000 0.435 128 L N -0.702 120.526 121.223 0.009 0.000 2.627 128 L HA 0.112 4.453 4.340 0.000 0.000 0.233 128 L C 1.484 178.366 176.870 0.020 0.000 1.144 128 L CA 0.644 55.492 54.840 0.015 0.000 0.892 128 L CB -0.205 41.867 42.059 0.021 0.000 1.039 128 L HN 0.493 nan 8.230 nan 0.000 0.442 129 G N -0.807 108.004 108.800 0.018 0.000 2.541 129 G HA2 -0.013 3.947 3.960 0.000 0.000 0.201 129 G HA3 -0.013 3.947 3.960 0.000 0.000 0.201 129 G C 0.473 175.384 174.900 0.018 0.000 1.026 129 G CA -0.320 44.791 45.100 0.018 0.000 0.687 129 G HN 0.719 nan 8.290 nan 0.000 0.492 130 G N -0.156 108.659 108.800 0.023 0.000 2.653 130 G HA2 0.534 4.494 3.960 0.000 0.000 0.656 130 G HA3 0.534 4.494 3.960 0.000 0.000 0.656 130 G C -0.316 174.597 174.900 0.020 0.000 1.419 130 G CA 0.404 45.517 45.100 0.022 0.000 0.862 130 G HN 1.415 nan 8.290 nan 0.000 0.639 131 R N -0.033 120.477 120.500 0.016 0.000 2.582 131 R HA 0.658 4.998 4.340 0.000 0.000 0.271 131 R C 0.917 177.219 176.300 0.003 0.000 1.078 131 R CA -0.073 56.031 56.100 0.006 0.000 1.127 131 R CB 1.274 31.568 30.300 -0.011 0.000 1.038 131 R HN 1.316 nan 8.270 nan 0.000 0.500 132 V N -1.914 118.001 119.914 0.001 0.000 3.346 132 V HA 0.307 4.427 4.120 0.000 0.000 0.309 132 V C 0.057 176.146 176.094 -0.007 0.000 1.457 132 V CA -0.173 62.126 62.300 -0.001 0.000 1.069 132 V CB -1.099 30.725 31.823 0.002 0.000 0.944 132 V HN 0.954 nan 8.190 nan 0.000 0.449 133 R N -1.377 119.115 120.500 -0.013 0.000 2.733 133 R HA 0.583 4.923 4.340 0.000 0.000 0.272 133 R C -1.282 174.998 176.300 -0.032 0.000 1.029 133 R CA -0.295 55.793 56.100 -0.020 0.000 0.888 133 R CB 1.116 31.402 30.300 -0.023 0.000 1.251 133 R HN -0.008 nan 8.270 nan 0.000 0.464 134 D N -0.135 120.245 120.400 -0.033 0.000 2.500 134 D HA 0.131 4.772 4.640 0.000 0.000 0.217 134 D C -0.626 175.629 176.300 -0.075 0.000 1.159 134 D CA 0.267 54.241 54.000 -0.042 0.000 0.828 134 D CB 1.094 41.892 40.800 -0.003 0.000 1.039 134 D HN 0.575 nan 8.370 nan 0.000 0.512 135 S N -0.453 115.184 115.700 -0.106 0.000 2.618 135 S HA 0.740 5.211 4.470 0.000 0.000 0.277 135 S C -1.243 173.259 174.600 -0.164 0.000 1.138 135 S CA -0.958 57.104 58.200 -0.229 0.000 0.844 135 S CB 1.770 64.730 63.200 -0.399 0.000 1.127 135 S HN 0.008 nan 8.310 nan 0.000 0.474 136 L N 1.091 122.207 121.223 -0.178 0.000 2.431 136 L HA 0.586 4.926 4.340 0.000 0.000 0.266 136 L C -0.472 176.375 176.870 -0.039 0.000 0.978 136 L CA -0.780 54.016 54.840 -0.073 0.000 0.822 136 L CB 2.048 44.098 42.059 -0.015 0.000 1.310 136 L HN 0.826 nan 8.230 nan 0.000 0.409 137 E N 1.762 121.963 120.200 0.002 0.000 2.415 137 E HA 0.234 4.584 4.350 0.000 0.000 0.263 137 E C -1.233 175.435 176.600 0.113 0.000 0.995 137 E CA 0.074 56.507 56.400 0.056 0.000 0.915 137 E CB 0.939 30.661 29.700 0.037 0.000 0.951 137 E HN 0.269 nan 8.360 nan 0.000 0.449 138 V N 4.854 124.891 119.914 0.204 0.000 2.376 138 V HA 0.575 4.695 4.120 0.000 0.000 0.287 138 V C 0.378 176.715 176.094 0.405 0.000 1.015 138 V CA -0.416 62.081 62.300 0.327 0.000 0.834 138 V CB 0.986 33.095 31.823 0.476 0.000 1.001 138 V HN 0.915 nan 8.190 nan 0.000 0.428 139 A N 5.437 128.445 122.820 0.314 0.000 2.310 139 A HA 0.606 4.927 4.320 0.000 0.000 0.260 139 A C -0.494 177.149 177.584 0.099 0.000 1.112 139 A CA -0.353 51.799 52.037 0.192 0.000 0.804 139 A CB 0.708 19.850 19.000 0.237 0.000 1.081 139 A HN 0.975 nan 8.150 nan 0.000 0.499 140 W N 0.086 121.108 121.300 -0.463 0.000 3.097 140 W HA 0.387 5.047 4.660 0.000 0.000 0.335 140 W C -1.436 174.807 176.519 -0.459 0.000 1.114 140 W CA -0.366 56.477 57.345 -0.837 0.000 1.231 140 W CB 1.818 30.590 29.460 -1.147 0.000 1.388 140 W HN 0.642 nan 8.180 nan 0.000 0.485 141 T N 6.159 119.921 114.554 -1.319 0.000 2.794 141 T HA 0.307 4.657 4.350 0.000 0.000 0.296 141 T C 0.230 174.455 174.700 -0.792 0.000 0.949 141 T CA -0.115 61.517 62.100 -0.781 0.000 1.101 141 T CB 0.623 69.154 68.868 -0.561 0.000 0.905 141 T HN 0.221 nan 8.240 nan 0.000 0.516 142 L N 3.294 124.340 121.223 -0.295 0.000 2.295 142 L HA 0.387 4.728 4.340 0.000 0.000 0.288 142 L C 1.144 177.944 176.870 -0.117 0.000 1.079 142 L CA -0.465 54.296 54.840 -0.132 0.000 0.830 142 L CB 0.529 42.574 42.059 -0.023 0.000 1.200 142 L HN 0.804 nan 8.230 nan 0.000 0.438 143 A N 1.239 123.977 122.820 -0.136 0.000 2.390 143 A HA 0.016 4.336 4.320 0.000 0.000 0.232 143 A C 2.011 179.585 177.584 -0.016 0.000 1.233 143 A CA 0.530 52.518 52.037 -0.081 0.000 0.907 143 A CB 0.050 18.967 19.000 -0.138 0.000 0.967 143 A HN 0.719 nan 8.150 nan 0.000 0.512 144 S N -0.941 114.766 115.700 0.011 0.000 2.442 144 S HA 0.190 4.660 4.470 0.000 0.000 0.236 144 S C 1.800 176.402 174.600 0.002 0.000 1.007 144 S CA 1.602 59.811 58.200 0.015 0.000 0.965 144 S CB -0.492 62.724 63.200 0.026 0.000 0.773 144 S HN 1.859 nan 8.310 nan 0.000 0.504 145 G N 0.905 109.714 108.800 0.015 0.000 2.304 145 G HA2 -0.334 3.626 3.960 0.000 0.000 0.252 145 G HA3 -0.334 3.626 3.960 0.000 0.000 0.252 145 G C -0.094 174.700 174.900 -0.177 0.000 1.014 145 G CA 0.408 45.464 45.100 -0.072 0.000 0.619 145 G HN 0.770 nan 8.290 nan 0.000 0.525 146 D N 0.418 120.779 120.400 -0.064 0.000 2.316 146 D HA 0.602 5.242 4.640 0.000 0.000 0.245 146 D C 1.765 178.080 176.300 0.025 0.000 1.171 146 D CA 0.620 54.587 54.000 -0.055 0.000 0.856 146 D CB 0.696 41.485 40.800 -0.019 0.000 1.090 146 D HN 0.036 nan 8.370 nan 0.000 0.476 147 T N 2.805 117.374 114.554 0.026 0.000 2.597 147 T HA -0.271 4.079 4.350 0.000 0.000 0.267 147 T C 1.922 176.683 174.700 0.102 0.000 1.053 147 T CA 1.691 63.906 62.100 0.191 0.000 1.165 147 T CB -0.372 68.613 68.868 0.194 0.000 0.863 147 T HN 0.593 nan 8.240 nan 0.000 0.427 148 A N 1.683 124.533 122.820 0.050 0.000 1.908 148 A HA -0.176 4.145 4.320 0.000 0.000 0.218 148 A C 2.404 180.000 177.584 0.021 0.000 1.181 148 A CA 1.728 53.782 52.037 0.027 0.000 0.627 148 A CB -0.573 18.436 19.000 0.015 0.000 0.818 148 A HN 0.449 nan 8.150 nan 0.000 0.445 149 R N -0.460 120.055 120.500 0.025 0.000 2.073 149 R HA -0.127 4.213 4.340 0.000 0.000 0.234 149 R C 1.735 178.052 176.300 0.028 0.000 1.134 149 R CA 1.475 57.589 56.100 0.022 0.000 0.952 149 R CB -0.508 29.806 30.300 0.023 0.000 0.850 149 R HN 0.499 nan 8.270 nan 0.000 0.433 150 D N 0.792 121.219 120.400 0.044 0.000 2.104 150 D HA -0.162 4.478 4.640 0.000 0.000 0.194 150 D C 1.941 178.216 176.300 -0.042 0.000 0.994 150 D CA 1.208 55.222 54.000 0.024 0.000 0.830 150 D CB -0.243 40.596 40.800 0.064 0.000 0.959 150 D HN 0.222 nan 8.370 nan 0.000 0.452 151 I N 1.148 121.699 120.570 -0.032 0.000 2.226 151 I HA -0.268 3.903 4.170 0.000 0.000 0.245 151 I C 2.505 178.589 176.117 -0.056 0.000 1.100 151 I CA 1.081 62.342 61.300 -0.065 0.000 1.374 151 I CB -0.239 37.743 38.000 -0.030 0.000 1.057 151 I HN -0.071 nan 8.210 nan 0.000 0.413 152 A N 0.251 123.060 122.820 -0.019 0.000 1.908 152 A HA -0.284 4.036 4.320 0.000 0.000 0.218 152 A C 2.304 179.900 177.584 0.020 0.000 1.181 152 A CA 2.088 54.125 52.037 -0.001 0.000 0.627 152 A CB -0.658 18.342 19.000 0.000 0.000 0.818 152 A HN 0.506 nan 8.150 nan 0.000 0.445 153 E N -0.304 119.910 120.200 0.023 0.000 2.072 153 E HA -0.084 4.267 4.350 0.000 0.000 0.191 153 E C 2.150 178.776 176.600 0.045 0.000 0.985 153 E CA 0.982 57.433 56.400 0.085 0.000 0.801 153 E CB -0.262 29.516 29.700 0.131 0.000 0.750 153 E HN 0.538 nan 8.360 nan 0.000 0.452 154 A N 1.159 123.877 122.820 -0.169 0.000 1.877 154 A HA -0.195 4.125 4.320 0.000 0.000 0.216 154 A C 2.160 179.630 177.584 -0.190 0.000 1.186 154 A CA 1.623 53.328 52.037 -0.555 0.000 0.620 154 A CB -0.496 17.933 19.000 -0.952 0.000 0.822 154 A HN 0.175 nan 8.150 nan 0.000 0.443 155 R N -1.779 118.676 120.500 -0.075 0.000 2.096 155 R HA -0.157 4.183 4.340 0.000 0.000 0.235 155 R C 2.253 178.609 176.300 0.095 0.000 1.127 155 R CA 1.589 57.705 56.100 0.026 0.000 0.968 155 R CB -0.476 29.838 30.300 0.024 0.000 0.861 155 R HN 0.826 nan 8.270 nan 0.000 0.440 156 H N 0.441 119.517 119.070 0.009 0.000 2.326 156 H HA -0.037 4.519 4.556 0.000 0.000 0.301 156 H C 1.859 177.207 175.328 0.034 0.000 1.081 156 H CA 1.713 57.769 56.048 0.015 0.000 1.334 156 H CB 0.059 29.821 29.762 0.000 0.000 1.385 156 H HN -0.041 nan 8.280 nan 0.000 0.504 157 M N -0.110 119.451 119.600 -0.066 0.000 2.213 157 M HA -0.106 4.374 4.480 0.000 0.000 0.263 157 M C 2.422 178.759 176.300 0.062 0.000 1.062 157 M CA 1.071 56.330 55.300 -0.069 0.000 1.105 157 M CB -0.851 31.874 32.600 0.207 0.000 1.385 157 M HN 0.355 nan 8.290 nan 0.000 0.417 158 L N -0.494 120.849 121.223 0.200 0.000 2.072 158 L HA -0.184 4.156 4.340 0.000 0.000 0.205 158 L C 2.518 179.469 176.870 0.135 0.000 1.079 158 L CA 1.019 56.025 54.840 0.277 0.000 0.752 158 L CB -0.411 41.811 42.059 0.272 0.000 0.906 158 L HN 0.224 nan 8.230 nan 0.000 0.436 159 E N 1.202 121.426 120.200 0.039 0.000 2.051 159 E HA -0.223 4.128 4.350 0.000 0.000 0.192 159 E C 1.821 178.373 176.600 -0.080 0.000 0.991 159 E CA 1.424 57.825 56.400 0.000 0.000 0.799 159 E CB -0.239 29.473 29.700 0.019 0.000 0.748 159 E HN 0.586 nan 8.360 nan 0.000 0.449 160 I N -2.067 118.387 120.570 -0.194 0.000 3.680 160 I HA 0.200 4.371 4.170 0.000 0.000 0.306 160 I C -0.120 175.821 176.117 -0.293 0.000 1.260 160 I CA 0.104 61.261 61.300 -0.237 0.000 1.201 160 I CB -0.303 37.503 38.000 -0.323 0.000 1.009 160 I HN 0.005 nan 8.210 nan 0.000 0.467 161 R N 0.893 121.205 120.500 -0.313 0.000 3.516 161 R HA -0.190 4.150 4.340 0.000 0.000 0.271 161 R C 1.328 177.146 176.300 -0.803 0.000 1.098 161 R CA 0.650 56.317 56.100 -0.722 0.000 0.732 161 R CB -1.715 28.130 30.300 -0.758 0.000 1.152 161 R HN 0.569 nan 8.270 nan 0.000 0.455 162 R N 0.175 120.400 120.500 -0.458 0.000 2.128 162 R HA 0.084 4.425 4.340 0.000 0.000 0.211 162 R C 0.264 176.202 176.300 -0.604 0.000 1.067 162 R CA 0.953 56.728 56.100 -0.542 0.000 1.010 162 R CB 0.456 30.404 30.300 -0.587 0.000 0.922 162 R HN 0.301 nan 8.270 nan 0.000 0.457 163 H N -0.874 118.260 119.070 0.106 0.000 3.012 163 H HA 0.254 4.810 4.556 0.000 0.000 0.367 163 H C -0.200 175.210 175.328 0.136 0.000 1.211 163 H CA -0.530 55.580 56.048 0.103 0.000 1.139 163 H CB 1.818 31.502 29.762 -0.129 0.000 1.838 163 H HN 0.093 nan 8.280 nan 0.000 0.550 164 R N -0.043 120.423 120.500 -0.055 0.000 2.519 164 R HA 0.388 4.728 4.340 0.000 0.000 0.375 164 R C -1.182 174.904 176.300 -0.356 0.000 0.926 164 R CA -0.076 55.920 56.100 -0.173 0.000 1.166 164 R CB 0.515 30.569 30.300 -0.410 0.000 1.626 164 R HN 0.092 nan 8.270 nan 0.000 0.529 165 V N 2.145 121.688 119.914 -0.618 0.000 2.483 165 V HA 0.531 4.651 4.120 0.000 0.000 0.297 165 V C -1.291 174.384 176.094 -0.697 0.000 1.027 165 V CA -0.596 61.471 62.300 -0.390 0.000 0.855 165 V CB 1.403 33.176 31.823 -0.085 0.000 0.995 165 V HN 0.085 nan 8.190 nan 0.000 0.424 166 F N 3.060 123.074 119.950 0.107 0.000 2.546 166 F HA 0.726 5.254 4.527 0.001 0.000 0.320 166 F C 0.024 175.833 175.800 0.015 0.000 1.076 166 F CA -0.852 57.184 58.000 0.062 0.000 0.928 166 F CB 2.065 41.101 39.000 0.060 0.000 1.189 166 F HN 0.362 nan 8.300 nan 0.000 0.465 167 K N 3.100 123.573 120.400 0.123 0.000 2.443 167 K HA 0.736 5.056 4.320 0.000 0.000 0.252 167 K C -2.133 174.459 176.600 -0.012 0.000 0.933 167 K CA -0.513 55.797 56.287 0.039 0.000 0.792 167 K CB 1.537 34.063 32.500 0.043 0.000 1.185 167 K HN 0.764 nan 8.250 nan 0.000 0.425 168 L N 3.818 125.026 121.223 -0.025 0.000 2.322 168 L HA 0.473 4.814 4.340 0.000 0.000 0.281 168 L C -0.227 176.623 176.870 -0.033 0.000 1.014 168 L CA -0.902 53.914 54.840 -0.041 0.000 0.815 168 L CB 1.804 43.815 42.059 -0.081 0.000 1.247 168 L HN 0.543 nan 8.230 nan 0.000 0.421 169 K N 5.357 125.749 120.400 -0.013 0.000 2.234 169 K HA 0.596 4.917 4.320 0.000 0.000 0.277 169 K C -0.641 175.977 176.600 0.030 0.000 1.038 169 K CA -0.316 55.966 56.287 -0.007 0.000 0.888 169 K CB 1.653 34.155 32.500 0.003 0.000 1.091 169 K HN 0.542 nan 8.250 nan 0.000 0.467 170 I N -2.677 117.890 120.570 -0.006 0.000 3.343 170 I HA 0.719 4.889 4.170 0.000 0.000 0.315 170 I C 0.522 176.634 176.117 -0.007 0.000 1.153 170 I CA -0.633 60.682 61.300 0.025 0.000 0.952 170 I CB 2.277 40.306 38.000 0.049 0.000 1.287 170 I HN 0.677 nan 8.210 nan 0.000 0.472 171 G N 0.971 109.787 108.800 0.028 0.000 2.316 171 G HA2 -0.185 3.776 3.960 0.000 0.000 0.203 171 G HA3 -0.185 3.776 3.960 0.000 0.000 0.203 171 G C 0.847 175.699 174.900 -0.081 0.000 0.999 171 G CA 0.401 45.501 45.100 0.001 0.000 0.649 171 G HN 1.290 nan 8.290 nan 0.000 0.489 172 A N 0.050 122.773 122.820 -0.161 0.000 2.169 172 A HA 0.425 4.745 4.320 0.000 0.000 0.212 172 A C 1.036 178.552 177.584 -0.113 0.000 1.153 172 A CA 1.077 52.935 52.037 -0.298 0.000 0.756 172 A CB -0.127 18.724 19.000 -0.248 0.000 0.813 172 A HN 0.445 nan 8.150 nan 0.000 0.471 173 N N -0.344 118.352 118.700 -0.006 0.000 2.619 173 N HA 0.404 5.144 4.740 0.000 0.000 0.294 173 N C -3.094 172.454 175.510 0.064 0.000 1.279 173 N CA -1.658 51.403 53.050 0.018 0.000 0.867 173 N CB 0.204 38.708 38.487 0.027 0.000 1.329 173 N HN -0.170 nan 8.380 nan 0.000 0.557 174 P HA 0.017 nan 4.420 nan 0.000 0.266 174 P C 1.175 178.520 177.300 0.076 0.000 1.195 174 P CA -0.133 62.993 63.100 0.043 0.000 0.768 174 P CB 0.758 32.468 31.700 0.016 0.000 0.838 175 V N 2.598 122.544 119.914 0.053 0.000 2.278 175 V HA -0.279 3.841 4.120 0.000 0.000 0.251 175 V C 2.207 178.318 176.094 0.027 0.000 1.062 175 V CA 1.900 64.213 62.300 0.022 0.000 1.038 175 V CB -0.831 30.873 31.823 -0.199 0.000 0.646 175 V HN 0.631 nan 8.190 nan 0.000 0.447 176 E N -0.456 119.744 120.200 -0.001 0.000 2.153 176 E HA -0.257 4.093 4.350 0.000 0.000 0.194 176 E C 2.199 178.824 176.600 0.041 0.000 0.988 176 E CA 1.540 57.945 56.400 0.008 0.000 0.811 176 E CB -0.217 29.479 29.700 -0.007 0.000 0.746 176 E HN 0.775 nan 8.360 nan 0.000 0.466 177 Q N 0.484 120.314 119.800 0.049 0.000 2.046 177 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 177 Q C 1.530 177.592 176.000 0.104 0.000 0.975 177 Q CA 1.502 57.339 55.803 0.056 0.000 0.836 177 Q CB 0.133 28.892 28.738 0.035 0.000 0.896 177 Q HN 0.086 nan 8.270 nan 0.000 0.428 178 D N 0.349 120.835 120.400 0.143 0.000 2.117 178 D HA -0.132 4.508 4.640 0.000 0.000 0.197 178 D C 2.035 178.459 176.300 0.207 0.000 0.987 178 D CA 0.885 55.011 54.000 0.211 0.000 0.829 178 D CB -0.101 40.864 40.800 0.275 0.000 0.961 178 D HN 0.301 nan 8.370 nan 0.000 0.460 179 L N 0.594 121.915 121.223 0.164 0.000 1.994 179 L HA -0.202 4.138 4.340 0.000 0.000 0.208 179 L C 2.525 179.452 176.870 0.095 0.000 1.071 179 L CA 1.256 56.166 54.840 0.118 0.000 0.745 179 L CB -0.408 41.687 42.059 0.061 0.000 0.892 179 L HN 0.004 nan 8.230 nan 0.000 0.431 180 K N -0.549 119.906 120.400 0.090 0.000 2.044 180 K HA -0.287 4.034 4.320 0.000 0.000 0.210 180 K C 2.208 178.882 176.600 0.124 0.000 1.049 180 K CA 1.771 58.107 56.287 0.082 0.000 0.927 180 K CB -0.347 32.193 32.500 0.066 0.000 0.713 180 K HN 0.368 nan 8.250 nan 0.000 0.443 181 H N -0.353 118.736 119.070 0.032 0.000 2.265 181 H HA -0.155 4.401 4.556 0.000 0.000 0.295 181 H C 1.890 177.235 175.328 0.028 0.000 1.084 181 H CA 2.126 58.190 56.048 0.027 0.000 1.261 181 H CB 0.033 29.814 29.762 0.031 0.000 1.360 181 H HN 0.115 nan 8.280 nan 0.000 0.487 182 V N 0.619 120.497 119.914 -0.060 0.000 2.287 182 V HA -0.245 3.875 4.120 0.000 0.000 0.248 182 V C 2.845 178.906 176.094 -0.055 0.000 1.053 182 V CA 1.561 63.781 62.300 -0.133 0.000 1.027 182 V CB -0.580 31.222 31.823 -0.035 0.000 0.646 182 V HN 0.314 nan 8.190 nan 0.000 0.447 183 V N -0.010 119.904 119.914 0.001 0.000 2.490 183 V HA -0.264 3.856 4.120 0.000 0.000 0.250 183 V C 2.547 178.645 176.094 0.006 0.000 1.061 183 V CA 2.535 64.840 62.300 0.010 0.000 1.064 183 V CB -0.999 30.837 31.823 0.022 0.000 0.670 183 V HN 0.630 nan 8.190 nan 0.000 0.461 184 T N 0.141 114.702 114.554 0.013 0.000 2.777 184 T HA -0.049 4.301 4.350 0.000 0.000 0.266 184 T C 1.825 176.523 174.700 -0.003 0.000 1.040 184 T CA 1.508 63.619 62.100 0.018 0.000 1.141 184 T CB -0.211 68.685 68.868 0.047 0.000 0.868 184 T HN 0.354 nan 8.240 nan 0.000 0.444 185 I N 0.862 121.410 120.570 -0.037 0.000 2.226 185 I HA -0.154 4.017 4.170 0.000 0.000 0.245 185 I C 2.543 178.637 176.117 -0.037 0.000 1.100 185 I CA 1.094 62.357 61.300 -0.061 0.000 1.374 185 I CB -0.241 37.677 38.000 -0.137 0.000 1.057 185 I HN 0.118 nan 8.210 nan 0.000 0.413 186 K N 1.480 121.865 120.400 -0.024 0.000 2.057 186 K HA -0.115 4.205 4.320 0.000 0.000 0.206 186 K C 2.162 178.767 176.600 0.009 0.000 1.050 186 K CA 1.471 57.760 56.287 0.003 0.000 0.935 186 K CB -0.164 32.343 32.500 0.011 0.000 0.715 186 K HN 0.121 nan 8.250 nan 0.000 0.439 187 R N 0.414 120.918 120.500 0.007 0.000 2.091 187 R HA -0.096 4.244 4.340 0.000 0.000 0.238 187 R C 2.120 178.426 176.300 0.009 0.000 1.136 187 R CA 1.463 57.569 56.100 0.010 0.000 0.959 187 R CB -0.312 29.994 30.300 0.011 0.000 0.856 187 R HN 0.276 nan 8.270 nan 0.000 0.437 188 E N 0.888 121.090 120.200 0.004 0.000 2.077 188 E HA -0.137 4.213 4.350 0.000 0.000 0.193 188 E C 2.152 178.753 176.600 0.002 0.000 0.989 188 E CA 1.040 57.441 56.400 0.001 0.000 0.800 188 E CB -0.118 29.579 29.700 -0.005 0.000 0.746 188 E HN 0.356 nan 8.360 nan 0.000 0.452 189 L N -0.139 121.083 121.223 -0.002 0.000 2.240 189 L HA 0.010 4.350 4.340 0.000 0.000 0.211 189 L C 1.610 178.499 176.870 0.030 0.000 1.106 189 L CA 0.557 55.403 54.840 0.009 0.000 0.793 189 L CB -0.833 41.228 42.059 0.003 0.000 0.927 189 L HN 0.189 nan 8.230 nan 0.000 0.446 190 G N 1.810 110.627 108.800 0.028 0.000 2.564 190 G HA2 -0.419 3.542 3.960 0.000 0.000 0.273 190 G HA3 -0.419 3.542 3.960 0.000 0.000 0.273 190 G C 0.185 175.110 174.900 0.042 0.000 1.242 190 G CA 0.491 45.609 45.100 0.031 0.000 0.951 190 G HN 0.561 nan 8.290 nan 0.000 0.564 191 D N -0.027 120.394 120.400 0.036 0.000 2.324 191 D HA 0.218 4.858 4.640 0.000 0.000 0.235 191 D C 2.053 178.376 176.300 0.039 0.000 1.095 191 D CA 1.349 55.370 54.000 0.036 0.000 0.871 191 D CB -0.115 40.700 40.800 0.025 0.000 0.906 191 D HN 0.838 nan 8.370 nan 0.000 0.522 192 S N -1.119 114.613 115.700 0.052 0.000 2.496 192 S HA 0.383 4.853 4.470 0.000 0.000 0.224 192 S C 0.845 175.502 174.600 0.094 0.000 0.996 192 S CA -0.025 58.212 58.200 0.062 0.000 0.927 192 S CB 0.025 63.267 63.200 0.070 0.000 0.774 192 S HN 0.442 nan 8.310 nan 0.000 0.524 193 A N 0.695 123.591 122.820 0.127 0.000 2.572 193 A HA 0.725 5.045 4.320 0.000 0.000 0.295 193 A C -0.519 177.164 177.584 0.166 0.000 1.072 193 A CA -0.472 51.686 52.037 0.201 0.000 0.691 193 A CB 1.327 20.612 19.000 0.474 0.000 1.291 193 A HN 0.288 nan 8.150 nan 0.000 0.404 194 S N 0.404 116.187 115.700 0.138 0.000 2.499 194 S HA 0.587 5.058 4.470 0.000 0.000 0.279 194 S C -0.634 174.066 174.600 0.167 0.000 1.219 194 S CA -0.326 57.950 58.200 0.126 0.000 1.062 194 S CB 0.356 63.620 63.200 0.107 0.000 0.978 194 S HN 1.044 nan 8.310 nan 0.000 0.489 195 V N 6.213 126.208 119.914 0.135 0.000 2.448 195 V HA 0.611 4.731 4.120 0.000 0.000 0.295 195 V C -0.190 175.937 176.094 0.055 0.000 1.025 195 V CA -0.760 61.614 62.300 0.123 0.000 0.859 195 V CB 1.562 33.441 31.823 0.093 0.000 0.988 195 V HN 0.915 nan 8.190 nan 0.000 0.431 196 R N 2.426 122.946 120.500 0.033 0.000 2.854 196 R HA 0.867 5.207 4.340 0.000 0.000 0.271 196 R C -0.904 175.368 176.300 -0.047 0.000 0.994 196 R CA -0.719 55.356 56.100 -0.040 0.000 0.945 196 R CB 2.379 32.627 30.300 -0.087 0.000 1.194 196 R HN 0.654 nan 8.270 nan 0.000 0.476 197 V N -1.974 117.891 119.914 -0.082 0.000 2.864 197 V HA 0.672 4.792 4.120 0.000 0.000 0.314 197 V C -1.144 174.873 176.094 -0.127 0.000 1.073 197 V CA -0.699 61.551 62.300 -0.082 0.000 0.956 197 V CB 2.171 33.959 31.823 -0.057 0.000 1.023 197 V HN 0.668 nan 8.190 nan 0.000 0.435 198 D N 1.970 122.293 120.400 -0.129 0.000 2.549 198 D HA 0.517 5.158 4.640 0.000 0.000 0.251 198 D C 0.275 176.448 176.300 -0.212 0.000 1.153 198 D CA -0.271 53.636 54.000 -0.154 0.000 0.861 198 D CB 2.194 42.935 40.800 -0.098 0.000 1.207 198 D HN 0.391 nan 8.370 nan 0.000 0.543 199 V N 2.828 122.552 119.914 -0.318 0.000 3.590 199 V HA 0.057 4.178 4.120 0.000 0.000 0.265 199 V C 0.517 176.356 176.094 -0.425 0.000 1.239 199 V CA -0.048 61.969 62.300 -0.471 0.000 1.117 199 V CB -1.282 30.022 31.823 -0.864 0.000 0.818 199 V HN 0.733 nan 8.190 nan 0.000 0.451 200 N N 1.390 119.884 118.700 -0.345 0.000 2.705 200 N HA -0.299 4.441 4.740 0.000 0.000 0.255 200 N C 0.463 175.672 175.510 -0.503 0.000 1.008 200 N CA 0.762 53.582 53.050 -0.385 0.000 0.742 200 N CB -1.052 37.191 38.487 -0.406 0.000 0.906 200 N HN 0.735 nan 8.380 nan 0.000 0.541 201 Q N -4.383 115.230 119.800 -0.312 0.000 2.348 201 Q HA -0.343 3.997 4.340 0.000 0.000 0.221 201 Q C 0.164 176.103 176.000 -0.102 0.000 0.735 201 Q CA 1.428 57.115 55.803 -0.192 0.000 1.351 201 Q CB -1.384 27.255 28.738 -0.165 0.000 1.640 201 Q HN 0.644 nan 8.270 nan 0.000 0.667 202 Y N -1.065 119.146 120.300 -0.148 0.000 2.352 202 Y HA -0.115 4.435 4.550 0.000 0.000 0.292 202 Y C 1.222 177.167 175.900 0.074 0.000 1.136 202 Y CA 0.755 58.799 58.100 -0.094 0.000 1.227 202 Y CB 0.151 38.508 38.460 -0.173 0.000 0.991 202 Y HN 0.214 nan 8.280 nan 0.000 0.545 203 W N 1.580 122.971 121.300 0.151 0.000 2.359 203 W HA 0.318 4.978 4.660 0.000 0.000 0.344 203 W C 0.041 176.590 176.519 0.051 0.000 1.170 203 W CA -1.543 55.851 57.345 0.082 0.000 1.296 203 W CB 0.268 29.761 29.460 0.056 0.000 1.197 203 W HN 0.025 nan 8.180 nan 0.000 0.618 204 D N -1.221 119.340 120.400 0.269 0.000 2.326 204 D HA 0.100 4.740 4.640 0.000 0.000 0.251 204 D C 0.721 177.091 176.300 0.117 0.000 1.023 204 D CA -0.556 53.533 54.000 0.147 0.000 0.966 204 D CB 0.909 41.763 40.800 0.089 0.000 1.156 204 D HN 0.524 nan 8.370 nan 0.000 0.494 205 E N -0.110 120.137 120.200 0.077 0.000 2.118 205 E HA -0.261 4.089 4.350 0.000 0.000 0.195 205 E C 1.617 178.221 176.600 0.008 0.000 0.992 205 E CA 1.612 58.042 56.400 0.050 0.000 0.804 205 E CB -0.005 29.716 29.700 0.035 0.000 0.741 205 E HN 0.545 nan 8.360 nan 0.000 0.458 206 S N -0.100 115.598 115.700 -0.003 0.000 2.399 206 S HA -0.227 4.243 4.470 0.000 0.000 0.231 206 S C 1.844 176.395 174.600 -0.082 0.000 1.022 206 S CA 1.265 59.445 58.200 -0.033 0.000 0.983 206 S CB -0.203 62.982 63.200 -0.025 0.000 0.803 206 S HN 0.340 nan 8.310 nan 0.000 0.480 207 Q N 0.928 120.663 119.800 -0.108 0.000 2.123 207 Q HA 0.289 4.629 4.340 0.000 0.000 0.196 207 Q C 2.616 178.377 176.000 -0.398 0.000 0.958 207 Q CA 0.967 56.609 55.803 -0.269 0.000 0.841 207 Q CB -0.446 28.093 28.738 -0.332 0.000 0.915 207 Q HN 0.715 nan 8.270 nan 0.000 0.455 208 A N 1.091 123.778 122.820 -0.222 0.000 2.019 208 A HA -0.160 4.160 4.320 0.000 0.000 0.219 208 A C 2.010 179.527 177.584 -0.113 0.000 1.164 208 A CA 0.920 52.881 52.037 -0.127 0.000 0.644 208 A CB -0.640 18.462 19.000 0.170 0.000 0.805 208 A HN 0.286 nan 8.150 nan 0.000 0.449 209 I N -1.059 119.453 120.570 -0.096 0.000 2.099 209 I HA -0.310 3.860 4.170 0.000 0.000 0.239 209 I C 2.839 178.902 176.117 -0.090 0.000 1.066 209 I CA 1.817 63.075 61.300 -0.069 0.000 1.324 209 I CB -0.292 37.675 38.000 -0.054 0.000 1.037 209 I HN 0.279 nan 8.210 nan 0.000 0.401 210 R N 0.225 120.646 120.500 -0.131 0.000 2.090 210 R HA -0.028 4.313 4.340 0.000 0.000 0.228 210 R C 2.421 178.632 176.300 -0.149 0.000 1.110 210 R CA 1.145 57.171 56.100 -0.123 0.000 0.973 210 R CB -0.324 29.902 30.300 -0.123 0.000 0.869 210 R HN 0.377 nan 8.270 nan 0.000 0.440 211 A N 0.520 123.181 122.820 -0.264 0.000 1.883 211 A HA -0.210 4.110 4.320 0.000 0.000 0.217 211 A C 2.321 179.852 177.584 -0.089 0.000 1.186 211 A CA 1.567 53.419 52.037 -0.307 0.000 0.624 211 A CB -0.948 17.516 19.000 -0.894 0.000 0.822 211 A HN 0.461 nan 8.150 nan 0.000 0.444 212 C N -1.369 117.909 119.300 -0.036 0.000 2.425 212 C HA -0.083 4.377 4.460 0.000 0.000 0.277 212 C C 2.851 177.848 174.990 0.010 0.000 1.280 212 C CA 1.408 60.453 59.018 0.044 0.000 1.744 212 C CB -1.069 26.703 27.740 0.053 0.000 1.989 212 C HN 0.758 nan 8.230 nan 0.000 0.491 213 Q N 0.933 120.722 119.800 -0.018 0.000 2.020 213 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 213 Q C 2.140 178.133 176.000 -0.011 0.000 0.982 213 Q CA 2.074 57.867 55.803 -0.017 0.000 0.838 213 Q CB -0.449 28.272 28.738 -0.029 0.000 0.899 213 Q HN 0.477 nan 8.270 nan 0.000 0.423 214 V N 0.244 120.147 119.914 -0.019 0.000 2.261 214 V HA -0.250 3.870 4.120 0.000 0.000 0.246 214 V C 2.221 178.321 176.094 0.010 0.000 1.047 214 V CA 1.505 63.800 62.300 -0.008 0.000 1.015 214 V CB -0.708 31.105 31.823 -0.017 0.000 0.642 214 V HN 0.311 nan 8.190 nan 0.000 0.446 215 L N 1.126 122.365 121.223 0.027 0.000 1.989 215 L HA -0.124 4.216 4.340 0.000 0.000 0.211 215 L C 2.613 179.496 176.870 0.022 0.000 1.071 215 L CA 2.493 57.357 54.840 0.041 0.000 0.749 215 L CB -1.839 40.267 42.059 0.079 0.000 0.890 215 L HN 0.378 nan 8.230 nan 0.000 0.431 216 G N -1.208 107.602 108.800 0.016 0.000 2.440 216 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 216 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 216 G C 1.262 176.168 174.900 0.009 0.000 1.154 216 G CA 0.895 46.000 45.100 0.007 0.000 0.767 216 G HN 0.380 nan 8.290 nan 0.000 0.552 217 D N 0.493 120.898 120.400 0.008 0.000 2.312 217 D HA -0.025 4.616 4.640 0.000 0.000 0.211 217 D C 1.263 177.569 176.300 0.011 0.000 0.964 217 D CA 0.448 54.452 54.000 0.007 0.000 0.877 217 D CB -0.041 40.761 40.800 0.003 0.000 0.924 217 D HN 0.254 nan 8.370 nan 0.000 0.515 218 N N -0.128 118.580 118.700 0.013 0.000 2.380 218 N HA 0.172 4.912 4.740 0.000 0.000 0.255 218 N C 0.878 176.399 175.510 0.018 0.000 1.158 218 N CA 0.206 53.265 53.050 0.015 0.000 0.878 218 N CB 1.427 39.923 38.487 0.015 0.000 1.138 218 N HN 0.105 nan 8.380 nan 0.000 0.509 219 G N 0.856 109.669 108.800 0.021 0.000 2.143 219 G HA2 -0.263 3.698 3.960 0.000 0.000 0.249 219 G HA3 -0.263 3.698 3.960 0.000 0.000 0.249 219 G C -0.041 174.877 174.900 0.030 0.000 0.981 219 G CA -0.326 44.790 45.100 0.027 0.000 0.665 219 G HN 0.244 nan 8.290 nan 0.000 0.528 220 I N 1.880 122.461 120.570 0.019 0.000 2.396 220 I HA 0.285 4.455 4.170 0.000 0.000 0.289 220 I C 1.238 177.351 176.117 -0.008 0.000 1.056 220 I CA -0.764 60.542 61.300 0.009 0.000 1.365 220 I CB 1.167 39.169 38.000 0.002 0.000 1.407 220 I HN 0.014 nan 8.210 nan 0.000 0.509 221 D N 5.383 125.781 120.400 -0.004 0.000 2.144 221 D HA -0.023 4.617 4.640 0.000 0.000 0.199 221 D C 0.236 176.399 176.300 -0.227 0.000 0.984 221 D CA 1.507 55.495 54.000 -0.021 0.000 0.834 221 D CB 0.010 40.882 40.800 0.120 0.000 0.955 221 D HN 0.397 nan 8.370 nan 0.000 0.465 222 L N -2.928 118.127 121.223 -0.279 0.000 2.622 222 L HA 0.508 4.849 4.340 0.000 0.000 0.258 222 L C -1.378 175.337 176.870 -0.259 0.000 0.996 222 L CA -0.989 53.612 54.840 -0.400 0.000 0.858 222 L CB 1.668 43.266 42.059 -0.768 0.000 1.449 222 L HN -0.280 nan 8.230 nan 0.000 0.411 223 I N 1.231 121.670 120.570 -0.219 0.000 2.382 223 I HA 0.424 4.594 4.170 0.000 0.000 0.285 223 I C -0.405 175.607 176.117 -0.175 0.000 1.007 223 I CA -0.313 60.900 61.300 -0.145 0.000 1.142 223 I CB 1.793 39.767 38.000 -0.044 0.000 1.289 223 I HN 0.800 nan 8.210 nan 0.000 0.453 224 E N 6.554 126.636 120.200 -0.196 0.000 2.152 224 E HA 0.117 4.468 4.350 0.000 0.000 0.285 224 E C -0.206 176.297 176.600 -0.162 0.000 1.043 224 E CA -0.514 55.772 56.400 -0.190 0.000 0.839 224 E CB 0.640 30.214 29.700 -0.209 0.000 1.069 224 E HN 0.497 nan 8.360 nan 0.000 0.399 225 Q N 3.831 123.556 119.800 -0.126 0.000 2.447 225 Q HA -0.163 4.178 4.340 0.000 0.000 0.348 225 Q C -1.974 173.946 176.000 -0.133 0.000 1.421 225 Q CA 0.686 56.422 55.803 -0.112 0.000 0.978 225 Q CB -0.377 28.289 28.738 -0.119 0.000 1.191 225 Q HN 0.567 nan 8.270 nan 0.000 0.371 226 P HA -0.118 nan 4.420 nan 0.000 0.216 226 P C 0.745 178.073 177.300 0.046 0.000 1.150 226 P CA 1.849 64.930 63.100 -0.032 0.000 0.837 226 P CB -0.119 31.691 31.700 0.183 0.000 0.786 227 I N -4.982 115.620 120.570 0.053 0.000 3.170 227 I HA 0.560 4.730 4.170 0.000 0.000 0.312 227 I C 0.025 176.149 176.117 0.012 0.000 1.085 227 I CA -1.478 59.866 61.300 0.072 0.000 0.999 227 I CB 1.952 40.013 38.000 0.102 0.000 1.233 227 I HN -0.320 nan 8.210 nan 0.000 0.467 228 S N 0.933 116.645 115.700 0.022 0.000 2.560 228 S HA 0.116 4.586 4.470 0.000 0.000 0.284 228 S C 1.381 175.978 174.600 -0.005 0.000 1.327 228 S CA -0.143 58.055 58.200 -0.003 0.000 1.055 228 S CB 0.558 63.766 63.200 0.013 0.000 0.868 228 S HN 0.839 nan 8.310 nan 0.000 0.506 229 R N 4.072 124.560 120.500 -0.019 0.000 2.200 229 R HA -0.105 4.235 4.340 0.000 0.000 0.234 229 R C 1.955 178.256 176.300 0.001 0.000 1.127 229 R CA 2.011 58.102 56.100 -0.015 0.000 0.989 229 R CB -0.980 29.307 30.300 -0.022 0.000 0.869 229 R HN 0.853 nan 8.270 nan 0.000 0.459 230 I N -1.086 119.489 120.570 0.008 0.000 2.614 230 I HA -0.072 4.099 4.170 0.000 0.000 0.258 230 I C 0.615 176.742 176.117 0.016 0.000 1.189 230 I CA 1.064 62.373 61.300 0.015 0.000 1.462 230 I CB -0.387 37.624 38.000 0.017 0.000 1.092 230 I HN 0.154 nan 8.210 nan 0.000 0.442 231 N N 1.564 120.274 118.700 0.017 0.000 2.918 231 N HA 0.119 4.859 4.740 0.000 0.000 0.247 231 N C 1.065 176.585 175.510 0.016 0.000 1.117 231 N CA -0.381 52.680 53.050 0.019 0.000 1.005 231 N CB 0.403 38.907 38.487 0.027 0.000 1.297 231 N HN 0.142 nan 8.380 nan 0.000 0.513 232 R N 2.607 123.115 120.500 0.014 0.000 2.075 232 R HA 0.032 4.372 4.340 0.000 0.000 0.232 232 R C 1.958 178.266 176.300 0.013 0.000 1.126 232 R CA 1.854 57.961 56.100 0.012 0.000 0.963 232 R CB -0.733 29.574 30.300 0.011 0.000 0.858 232 R HN 0.568 nan 8.270 nan 0.000 0.435 233 G N -0.956 107.852 108.800 0.013 0.000 2.422 233 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 233 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 233 G C 1.481 176.388 174.900 0.013 0.000 1.146 233 G CA 0.662 45.769 45.100 0.011 0.000 0.769 233 G HN 0.518 nan 8.290 nan 0.000 0.547 234 G N -0.089 108.721 108.800 0.017 0.000 2.448 234 G HA2 -0.067 3.894 3.960 0.000 0.000 0.218 234 G HA3 -0.067 3.894 3.960 0.000 0.000 0.218 234 G C 1.752 176.665 174.900 0.023 0.000 1.135 234 G CA 0.799 45.912 45.100 0.021 0.000 0.784 234 G HN 0.510 nan 8.290 nan 0.000 0.543 235 Q N -0.211 119.601 119.800 0.021 0.000 2.123 235 Q HA 0.001 4.342 4.340 0.000 0.000 0.199 235 Q C 2.772 178.782 176.000 0.017 0.000 0.966 235 Q CA 0.955 56.770 55.803 0.020 0.000 0.845 235 Q CB -0.103 28.646 28.738 0.018 0.000 0.907 235 Q HN 0.367 nan 8.270 nan 0.000 0.439 236 V N 0.969 120.891 119.914 0.014 0.000 2.343 236 V HA -0.266 3.854 4.120 0.000 0.000 0.247 236 V C 2.179 178.277 176.094 0.007 0.000 1.051 236 V CA 1.803 64.108 62.300 0.009 0.000 1.036 236 V CB -0.435 31.391 31.823 0.006 0.000 0.654 236 V HN 0.291 nan 8.190 nan 0.000 0.451 237 R N -0.726 119.779 120.500 0.008 0.000 2.075 237 R HA -0.110 4.230 4.340 0.000 0.000 0.232 237 R C 2.181 178.485 176.300 0.007 0.000 1.126 237 R CA 1.159 57.263 56.100 0.006 0.000 0.963 237 R CB -0.454 29.850 30.300 0.007 0.000 0.858 237 R HN 0.294 nan 8.270 nan 0.000 0.435 238 L N 1.452 122.683 121.223 0.012 0.000 2.131 238 L HA -0.148 4.192 4.340 0.000 0.000 0.210 238 L C 1.958 178.832 176.870 0.006 0.000 1.092 238 L CA 1.518 56.367 54.840 0.014 0.000 0.759 238 L CB -1.102 40.973 42.059 0.028 0.000 0.903 238 L HN 0.286 nan 8.230 nan 0.000 0.435 239 N N -0.679 118.024 118.700 0.005 0.000 2.364 239 N HA -0.194 4.546 4.740 0.000 0.000 0.183 239 N C 1.543 177.051 175.510 -0.005 0.000 1.022 239 N CA 0.851 53.900 53.050 -0.002 0.000 0.883 239 N CB 0.253 38.741 38.487 0.001 0.000 0.965 239 N HN 0.569 nan 8.380 nan 0.000 0.438 240 Q N -0.407 119.391 119.800 -0.002 0.000 2.297 240 Q HA -0.004 4.337 4.340 0.000 0.000 0.203 240 Q C 1.750 177.748 176.000 -0.002 0.000 0.931 240 Q CA 0.525 56.326 55.803 -0.003 0.000 0.885 240 Q CB 0.296 29.033 28.738 -0.002 0.000 0.991 240 Q HN 0.446 nan 8.270 nan 0.000 0.498 241 R N -0.414 120.085 120.500 -0.001 0.000 2.279 241 R HA 0.217 4.557 4.340 0.000 0.000 0.195 241 R C 0.336 176.635 176.300 -0.002 0.000 0.905 241 R CA 0.097 56.196 56.100 -0.002 0.000 1.044 241 R CB 0.063 30.362 30.300 -0.003 0.000 1.056 241 R HN -0.194 nan 8.270 nan 0.000 0.535 242 T N 3.729 118.283 114.554 -0.001 0.000 2.888 242 T HA 0.115 4.465 4.350 0.000 0.000 0.301 242 T C -1.879 172.818 174.700 -0.005 0.000 1.001 242 T CA -1.110 60.989 62.100 -0.001 0.000 1.147 242 T CB 1.641 70.510 68.868 0.002 0.000 0.931 242 T HN 0.055 nan 8.240 nan 0.000 0.541 243 P HA 0.078 nan 4.420 nan 0.000 0.218 243 P C -0.058 177.238 177.300 -0.006 0.000 1.149 243 P CA 0.476 63.574 63.100 -0.002 0.000 0.817 243 P CB 0.264 31.964 31.700 0.001 0.000 0.785 244 A N 0.413 123.222 122.820 -0.018 0.000 2.305 244 A HA 0.533 4.854 4.320 0.000 0.000 0.322 244 A C -2.417 175.120 177.584 -0.078 0.000 1.187 244 A CA -2.020 49.989 52.037 -0.046 0.000 0.825 244 A CB 0.104 19.072 19.000 -0.054 0.000 1.164 244 A HN -0.042 nan 8.150 nan 0.000 0.498 245 P HA 0.125 nan 4.420 nan 0.000 0.266 245 P C -0.770 176.417 177.300 -0.189 0.000 1.195 245 P CA 0.125 63.139 63.100 -0.145 0.000 0.768 245 P CB 0.593 32.186 31.700 -0.178 0.000 0.838 246 I N 3.622 124.116 120.570 -0.126 0.000 2.353 246 I HA 0.330 4.500 4.170 0.000 0.000 0.293 246 I C 0.707 176.755 176.117 -0.115 0.000 0.992 246 I CA -0.442 60.793 61.300 -0.108 0.000 1.268 246 I CB 0.836 38.811 38.000 -0.043 0.000 1.387 246 I HN 0.342 nan 8.210 nan 0.000 0.478 247 M N 6.454 125.967 119.600 -0.144 0.000 2.268 247 M HA 0.732 5.213 4.480 0.000 0.000 0.344 247 M C -0.715 175.563 176.300 -0.038 0.000 1.106 247 M CA -0.545 54.690 55.300 -0.108 0.000 1.010 247 M CB 1.244 33.701 32.600 -0.238 0.000 1.649 247 M HN 0.655 nan 8.290 nan 0.000 0.443 248 A N 3.261 126.116 122.820 0.057 0.000 2.309 248 A HA 0.449 4.770 4.320 0.000 0.000 0.298 248 A C -0.450 177.100 177.584 -0.055 0.000 1.165 248 A CA -0.374 51.657 52.037 -0.011 0.000 0.821 248 A CB 0.704 19.675 19.000 -0.047 0.000 1.102 248 A HN 0.969 nan 8.150 nan 0.000 0.500 249 D N 0.503 120.856 120.400 -0.079 0.000 2.957 249 D HA 0.019 4.660 4.640 0.000 0.000 0.175 249 D C 1.235 177.488 176.300 -0.078 0.000 1.502 249 D CA 0.395 54.356 54.000 -0.064 0.000 1.524 249 D CB -0.295 40.481 40.800 -0.039 0.000 1.300 249 D HN 0.418 nan 8.370 nan 0.000 0.241 250 E N 0.235 120.393 120.200 -0.070 0.000 2.265 250 E HA 0.002 4.352 4.350 0.000 0.000 0.196 250 E C 1.850 178.406 176.600 -0.073 0.000 0.996 250 E CA 0.852 57.211 56.400 -0.068 0.000 0.832 250 E CB -0.023 29.630 29.700 -0.078 0.000 0.756 250 E HN 0.082 nan 8.360 nan 0.000 0.491 251 S N 0.030 115.679 115.700 -0.086 0.000 2.474 251 S HA 0.012 4.482 4.470 0.000 0.000 0.235 251 S C 0.718 175.252 174.600 -0.110 0.000 0.997 251 S CA 0.461 58.611 58.200 -0.083 0.000 0.949 251 S CB -0.002 63.148 63.200 -0.085 0.000 0.766 251 S HN 0.183 nan 8.310 nan 0.000 0.517 252 I N 1.847 122.328 120.570 -0.147 0.000 2.306 252 I HA 0.214 4.384 4.170 0.000 0.000 0.288 252 I C 0.420 176.492 176.117 -0.076 0.000 1.036 252 I CA 0.036 61.240 61.300 -0.161 0.000 1.221 252 I CB 1.057 38.896 38.000 -0.267 0.000 1.385 252 I HN 0.100 nan 8.210 nan 0.000 0.472 253 E N 4.174 124.358 120.200 -0.026 0.000 2.630 253 E HA 0.157 4.507 4.350 0.000 0.000 0.218 253 E C -0.365 176.265 176.600 0.050 0.000 0.977 253 E CA -0.144 56.273 56.400 0.028 0.000 1.038 253 E CB 0.848 30.595 29.700 0.078 0.000 1.051 253 E HN 0.699 nan 8.360 nan 0.000 0.487 254 S N -2.006 113.705 115.700 0.018 0.000 2.611 254 S HA 0.117 4.587 4.470 0.000 0.000 0.270 254 S C 0.587 175.199 174.600 0.021 0.000 1.131 254 S CA -0.762 57.457 58.200 0.031 0.000 0.826 254 S CB 1.073 64.303 63.200 0.050 0.000 1.095 254 S HN -0.148 nan 8.310 nan 0.000 0.461 255 V N 1.431 121.367 119.914 0.037 0.000 2.392 255 V HA -0.135 3.985 4.120 0.000 0.000 0.249 255 V C 2.410 178.559 176.094 0.092 0.000 1.059 255 V CA 2.540 64.875 62.300 0.058 0.000 1.051 255 V CB -1.230 30.627 31.823 0.056 0.000 0.658 255 V HN 0.915 nan 8.190 nan 0.000 0.455 256 E N -0.158 120.090 120.200 0.081 0.000 2.208 256 E HA -0.156 4.194 4.350 0.000 0.000 0.193 256 E C 1.906 178.596 176.600 0.150 0.000 0.988 256 E CA 0.970 57.441 56.400 0.119 0.000 0.828 256 E CB -0.296 29.448 29.700 0.073 0.000 0.763 256 E HN 0.524 nan 8.360 nan 0.000 0.478 257 D N 0.065 120.510 120.400 0.076 0.000 2.144 257 D HA -0.077 4.564 4.640 0.000 0.000 0.200 257 D C 1.833 178.130 176.300 -0.004 0.000 0.978 257 D CA 1.349 55.367 54.000 0.031 0.000 0.833 257 D CB -0.211 40.578 40.800 -0.019 0.000 0.961 257 D HN 0.199 nan 8.370 nan 0.000 0.470 258 A N 0.202 123.010 122.820 -0.021 0.000 1.902 258 A HA -0.161 4.159 4.320 0.000 0.000 0.217 258 A C 2.126 179.829 177.584 0.200 0.000 1.181 258 A CA 1.027 53.029 52.037 -0.059 0.000 0.623 258 A CB -0.997 17.999 19.000 -0.007 0.000 0.818 258 A HN 0.297 nan 8.150 nan 0.000 0.443 259 F N 0.855 120.869 119.950 0.108 0.000 2.102 259 F HA -0.148 4.379 4.527 0.001 0.000 0.298 259 F C 2.645 178.506 175.800 0.103 0.000 1.105 259 F CA 1.883 59.952 58.000 0.114 0.000 1.239 259 F CB -0.544 38.499 39.000 0.071 0.000 0.991 259 F HN 0.221 nan 8.300 nan 0.000 0.474 260 S N 0.428 116.168 115.700 0.067 0.000 2.370 260 S HA -0.187 4.283 4.470 0.000 0.000 0.226 260 S C 2.119 176.670 174.600 -0.082 0.000 1.033 260 S CA 1.734 59.917 58.200 -0.029 0.000 1.011 260 S CB -0.603 62.651 63.200 0.090 0.000 0.852 260 S HN 0.470 nan 8.310 nan 0.000 0.457 261 L N 0.772 121.995 121.223 -0.000 0.000 2.141 261 L HA -0.013 4.327 4.340 0.000 0.000 0.209 261 L C 2.848 179.782 176.870 0.108 0.000 1.094 261 L CA 1.121 56.001 54.840 0.066 0.000 0.763 261 L CB -0.556 41.550 42.059 0.077 0.000 0.908 261 L HN 0.398 nan 8.230 nan 0.000 0.437 262 A N -0.125 122.758 122.820 0.105 0.000 1.929 262 A HA -0.043 4.278 4.320 0.000 0.000 0.216 262 A C 2.504 179.993 177.584 -0.157 0.000 1.176 262 A CA 1.345 53.373 52.037 -0.015 0.000 0.628 262 A CB -0.563 18.418 19.000 -0.032 0.000 0.816 262 A HN 0.356 nan 8.150 nan 0.000 0.444 263 A N -0.295 122.330 122.820 -0.325 0.000 2.015 263 A HA -0.121 4.200 4.320 0.000 0.000 0.219 263 A C 1.594 179.089 177.584 -0.148 0.000 1.163 263 A CA 1.820 53.669 52.037 -0.313 0.000 0.646 263 A CB -0.371 18.321 19.000 -0.513 0.000 0.806 263 A HN 0.397 nan 8.150 nan 0.000 0.448 264 D N -1.259 119.078 120.400 -0.105 0.000 2.348 264 D HA 0.239 4.879 4.640 0.000 0.000 0.211 264 D C 1.254 177.536 176.300 -0.030 0.000 0.998 264 D CA 1.093 55.063 54.000 -0.049 0.000 0.873 264 D CB -0.023 40.761 40.800 -0.027 0.000 0.925 264 D HN 0.539 nan 8.370 nan 0.000 0.524 265 G N 0.675 109.456 108.800 -0.031 0.000 2.298 265 G HA2 -0.236 3.725 3.960 0.000 0.000 0.287 265 G HA3 -0.236 3.725 3.960 0.000 0.000 0.287 265 G C 0.975 175.878 174.900 0.004 0.000 1.075 265 G CA 0.448 45.536 45.100 -0.020 0.000 0.960 265 G HN 0.431 nan 8.290 nan 0.000 0.502 266 A N -1.316 121.523 122.820 0.032 0.000 2.178 266 A HA 0.799 5.120 4.320 0.000 0.000 0.211 266 A C 1.379 179.002 177.584 0.065 0.000 1.157 266 A CA 1.728 53.792 52.037 0.045 0.000 0.780 266 A CB 0.208 19.238 19.000 0.049 0.000 0.828 266 A HN 2.407 nan 8.150 nan 0.000 0.476 267 A N -1.372 121.500 122.820 0.087 0.000 2.605 267 A HA 0.542 4.863 4.320 0.000 0.000 0.294 267 A C 0.426 178.013 177.584 0.006 0.000 1.062 267 A CA 0.328 52.413 52.037 0.080 0.000 0.682 267 A CB -0.005 19.108 19.000 0.189 0.000 1.278 267 A HN 0.765 nan 8.150 nan 0.000 0.410 268 S N -0.149 115.532 115.700 -0.032 0.000 2.540 268 S HA 0.500 4.970 4.470 0.000 0.000 0.218 268 S C 0.252 174.800 174.600 -0.086 0.000 0.977 268 S CA 0.315 58.472 58.200 -0.071 0.000 0.918 268 S CB -0.523 62.656 63.200 -0.035 0.000 0.806 268 S HN 0.600 nan 8.310 nan 0.000 0.496 269 I N 1.087 121.621 120.570 -0.059 0.000 2.722 269 I HA 0.510 4.680 4.170 0.000 0.000 0.295 269 I C -1.514 174.724 176.117 0.201 0.000 1.161 269 I CA -0.892 60.402 61.300 -0.012 0.000 1.032 269 I CB 2.156 40.079 38.000 -0.128 0.000 1.244 269 I HN -0.026 nan 8.210 nan 0.000 0.421 270 F N 3.040 123.000 119.950 0.017 0.000 2.507 270 F HA 0.669 5.196 4.527 0.000 0.000 0.325 270 F C 0.443 176.275 175.800 0.055 0.000 1.116 270 F CA -1.532 56.479 58.000 0.017 0.000 0.930 270 F CB 2.030 41.045 39.000 0.025 0.000 1.146 270 F HN 0.433 nan 8.300 nan 0.000 0.447 271 A N 4.012 126.969 122.820 0.228 0.000 2.366 271 A HA 0.608 4.928 4.320 0.000 0.000 0.272 271 A C -0.967 176.685 177.584 0.114 0.000 1.135 271 A CA -0.362 51.809 52.037 0.225 0.000 0.804 271 A CB 0.229 19.343 19.000 0.190 0.000 1.064 271 A HN 0.509 nan 8.150 nan 0.000 0.499 272 L N 3.028 124.278 121.223 0.043 0.000 2.262 272 L HA 0.409 4.749 4.340 0.000 0.000 0.288 272 L C 0.071 177.005 176.870 0.107 0.000 1.035 272 L CA 0.314 55.178 54.840 0.040 0.000 0.820 272 L CB 0.799 42.822 42.059 -0.061 0.000 1.204 272 L HN 0.666 nan 8.230 nan 0.000 0.424 273 K N 4.682 125.129 120.400 0.078 0.000 2.502 273 K HA 0.366 4.686 4.320 0.000 0.000 0.254 273 K C 1.279 177.862 176.600 -0.027 0.000 0.947 273 K CA -0.469 55.838 56.287 0.032 0.000 0.834 273 K CB 2.287 34.758 32.500 -0.049 0.000 1.112 273 K HN 0.548 nan 8.250 nan 0.000 0.427 274 I N -0.236 120.309 120.570 -0.041 0.000 2.361 274 I HA -0.208 3.962 4.170 0.000 0.000 0.251 274 I C 1.840 177.841 176.117 -0.194 0.000 1.133 274 I CA 1.491 62.734 61.300 -0.094 0.000 1.413 274 I CB -0.210 37.721 38.000 -0.116 0.000 1.073 274 I HN 0.528 nan 8.210 nan 0.000 0.424 275 A N 1.621 124.233 122.820 -0.345 0.000 1.969 275 A HA -0.089 4.231 4.320 0.000 0.000 0.218 275 A C 2.188 179.346 177.584 -0.709 0.000 1.169 275 A CA 1.295 52.894 52.037 -0.730 0.000 0.635 275 A CB -0.335 17.931 19.000 -1.224 0.000 0.810 275 A HN 0.374 nan 8.150 nan 0.000 0.445 276 K N -0.412 119.756 120.400 -0.386 0.000 2.426 276 K HA 0.094 4.414 4.320 0.000 0.000 0.193 276 K C 0.551 177.117 176.600 -0.057 0.000 1.028 276 K CA 0.838 57.036 56.287 -0.148 0.000 1.047 276 K CB -0.220 32.230 32.500 -0.082 0.000 0.821 276 K HN 0.588 nan 8.250 nan 0.000 0.513 277 N N -0.638 118.020 118.700 -0.071 0.000 2.463 277 N HA 0.048 4.789 4.740 0.000 0.000 0.183 277 N C 0.657 176.162 175.510 -0.009 0.000 1.064 277 N CA 0.776 53.814 53.050 -0.020 0.000 0.879 277 N CB 1.239 39.724 38.487 -0.003 0.000 1.148 277 N HN 0.232 nan 8.380 nan 0.000 0.451 278 G N -0.696 108.084 108.800 -0.035 0.000 2.151 278 G HA2 0.284 4.245 3.960 0.000 0.000 0.140 278 G HA3 0.284 4.245 3.960 0.000 0.000 0.140 278 G C 0.265 175.151 174.900 -0.023 0.000 1.020 278 G CA -0.182 44.910 45.100 -0.013 0.000 0.688 278 G HN 0.696 nan 8.290 nan 0.000 0.500 279 G N -1.329 107.442 108.800 -0.048 0.000 2.408 279 G HA2 0.347 4.307 3.960 0.000 0.000 0.682 279 G HA3 0.347 4.307 3.960 0.000 0.000 0.682 279 G C -1.444 173.429 174.900 -0.044 0.000 1.303 279 G CA 0.159 45.230 45.100 -0.049 0.000 0.966 279 G HN 0.267 nan 8.290 nan 0.000 0.560 280 P HA -0.084 nan 4.420 nan 0.000 0.215 280 P C 2.035 179.324 177.300 -0.018 0.000 1.157 280 P CA 1.774 64.838 63.100 -0.059 0.000 0.874 280 P CB -0.010 31.647 31.700 -0.072 0.000 0.790 281 R N -0.718 119.775 120.500 -0.011 0.000 2.075 281 R HA 0.005 4.346 4.340 0.000 0.000 0.232 281 R C 2.316 178.627 176.300 0.019 0.000 1.126 281 R CA 1.435 57.539 56.100 0.006 0.000 0.963 281 R CB -1.043 29.258 30.300 0.001 0.000 0.858 281 R HN 0.133 nan 8.270 nan 0.000 0.435 282 A N 0.580 123.409 122.820 0.014 0.000 1.969 282 A HA -0.097 4.223 4.320 0.000 0.000 0.218 282 A C 2.247 179.857 177.584 0.043 0.000 1.169 282 A CA 1.103 53.154 52.037 0.024 0.000 0.635 282 A CB -0.468 18.540 19.000 0.014 0.000 0.810 282 A HN 0.186 nan 8.150 nan 0.000 0.445 283 V N -0.105 119.838 119.914 0.048 0.000 2.667 283 V HA -0.132 3.989 4.120 0.000 0.000 0.252 283 V C 2.283 178.448 176.094 0.118 0.000 1.065 283 V CA 1.555 63.911 62.300 0.093 0.000 1.083 283 V CB -0.359 31.542 31.823 0.131 0.000 0.692 283 V HN 0.604 nan 8.190 nan 0.000 0.468 284 L N -0.827 120.452 121.223 0.093 0.000 2.217 284 L HA -0.099 4.241 4.340 0.000 0.000 0.211 284 L C 2.689 179.611 176.870 0.087 0.000 1.107 284 L CA 1.262 56.159 54.840 0.095 0.000 0.783 284 L CB -0.469 41.632 42.059 0.069 0.000 0.919 284 L HN 0.246 nan 8.230 nan 0.000 0.442 285 R N -0.731 119.815 120.500 0.076 0.000 2.066 285 R HA -0.110 4.230 4.340 0.000 0.000 0.232 285 R C 2.301 178.667 176.300 0.109 0.000 1.131 285 R CA 1.818 57.965 56.100 0.078 0.000 0.955 285 R CB -0.464 29.873 30.300 0.061 0.000 0.851 285 R HN 0.256 nan 8.270 nan 0.000 0.432 286 T N 0.882 115.507 114.554 0.119 0.000 2.708 286 T HA -0.162 4.188 4.350 0.000 0.000 0.266 286 T C 1.899 176.722 174.700 0.204 0.000 1.037 286 T CA 1.482 63.681 62.100 0.165 0.000 1.146 286 T CB -0.276 68.670 68.868 0.131 0.000 0.865 286 T HN 0.383 nan 8.240 nan 0.000 0.435 287 A N 1.271 124.189 122.820 0.163 0.000 1.908 287 A HA -0.210 4.110 4.320 0.000 0.000 0.218 287 A C 2.255 179.904 177.584 0.107 0.000 1.181 287 A CA 1.812 53.932 52.037 0.139 0.000 0.627 287 A CB -0.726 18.347 19.000 0.121 0.000 0.818 287 A HN 0.560 nan 8.150 nan 0.000 0.445 288 Q N -0.715 119.146 119.800 0.100 0.000 2.167 288 Q HA -0.030 4.311 4.340 0.000 0.000 0.202 288 Q C 1.967 178.022 176.000 0.091 0.000 0.970 288 Q CA 1.301 57.152 55.803 0.080 0.000 0.855 288 Q CB -0.252 28.528 28.738 0.070 0.000 0.911 288 Q HN 0.748 nan 8.270 nan 0.000 0.438 289 I N 0.244 120.893 120.570 0.132 0.000 2.252 289 I HA -0.261 3.909 4.170 0.000 0.000 0.245 289 I C 2.314 178.498 176.117 0.110 0.000 1.102 289 I CA 0.827 62.226 61.300 0.166 0.000 1.385 289 I CB -0.314 37.837 38.000 0.251 0.000 1.064 289 I HN 0.189 nan 8.210 nan 0.000 0.414 290 A N 0.430 123.306 122.820 0.093 0.000 1.877 290 A HA -0.200 4.121 4.320 0.000 0.000 0.216 290 A C 2.238 179.781 177.584 -0.068 0.000 1.186 290 A CA 1.445 53.437 52.037 -0.075 0.000 0.620 290 A CB -0.497 18.455 19.000 -0.079 0.000 0.822 290 A HN 0.342 nan 8.150 nan 0.000 0.443 291 E N -0.109 120.086 120.200 -0.009 0.000 2.085 291 E HA -0.198 4.152 4.350 0.000 0.000 0.194 291 E C 2.311 178.908 176.600 -0.006 0.000 0.994 291 E CA 1.283 57.678 56.400 -0.008 0.000 0.801 291 E CB -0.489 29.219 29.700 0.014 0.000 0.743 291 E HN 0.586 nan 8.360 nan 0.000 0.453 292 A N 1.009 123.839 122.820 0.016 0.000 2.019 292 A HA -0.036 4.284 4.320 0.000 0.000 0.219 292 A C 2.173 179.761 177.584 0.006 0.000 1.164 292 A CA 1.714 53.766 52.037 0.023 0.000 0.644 292 A CB -0.183 18.850 19.000 0.055 0.000 0.805 292 A HN 0.239 nan 8.150 nan 0.000 0.449 293 A N -2.325 120.482 122.820 -0.020 0.000 2.348 293 A HA 0.459 4.780 4.320 0.000 0.000 0.224 293 A C 1.610 179.152 177.584 -0.070 0.000 1.227 293 A CA 1.028 53.036 52.037 -0.048 0.000 0.885 293 A CB -0.527 18.428 19.000 -0.075 0.000 0.933 293 A HN 1.825 nan 8.150 nan 0.000 0.506 294 G N -0.347 108.413 108.800 -0.068 0.000 2.137 294 G HA2 -0.205 3.756 3.960 0.000 0.000 0.237 294 G HA3 -0.205 3.756 3.960 0.000 0.000 0.237 294 G C 0.037 174.879 174.900 -0.096 0.000 1.002 294 G CA 0.265 45.326 45.100 -0.065 0.000 0.702 294 G HN 0.452 nan 8.290 nan 0.000 0.515 295 I N 1.349 121.819 120.570 -0.166 0.000 2.428 295 I HA 0.477 4.648 4.170 0.000 0.000 0.289 295 I C 1.428 177.452 176.117 -0.154 0.000 1.019 295 I CA -0.172 60.979 61.300 -0.248 0.000 1.351 295 I CB 1.249 38.900 38.000 -0.582 0.000 1.412 295 I HN 0.148 nan 8.210 nan 0.000 0.513 296 G N 6.145 114.914 108.800 -0.052 0.000 2.527 296 G HA2 0.432 4.392 3.960 0.000 0.000 0.248 296 G HA3 0.432 4.392 3.960 0.000 0.000 0.248 296 G C -0.587 174.376 174.900 0.107 0.000 1.231 296 G CA -0.398 44.752 45.100 0.083 0.000 0.838 296 G HN 0.243 nan 8.290 nan 0.000 0.570 297 L N 0.404 121.713 121.223 0.144 0.000 2.330 297 L HA 0.599 4.939 4.340 0.000 0.000 0.271 297 L C -0.697 176.318 176.870 0.242 0.000 1.013 297 L CA -1.529 53.397 54.840 0.143 0.000 0.816 297 L CB 1.568 43.649 42.059 0.037 0.000 1.287 297 L HN 0.598 nan 8.230 nan 0.000 0.435 298 Y N -0.251 120.051 120.300 0.002 0.000 2.433 298 Y HA 0.647 5.197 4.550 0.000 0.000 0.337 298 Y C 0.179 175.931 175.900 -0.247 0.000 1.026 298 Y CA -1.033 57.047 58.100 -0.033 0.000 1.037 298 Y CB 2.136 40.625 38.460 0.049 0.000 1.245 298 Y HN 0.619 nan 8.280 nan 0.000 0.443 299 G N 3.408 111.752 108.800 -0.761 0.000 2.391 299 G HA2 0.462 4.422 3.960 0.000 0.000 0.305 299 G HA3 0.462 4.422 3.960 0.000 0.000 0.305 299 G C 0.108 174.603 174.900 -0.675 0.000 1.072 299 G CA 0.057 44.510 45.100 -1.078 0.000 1.016 299 G HN 0.970 nan 8.290 nan 0.000 0.418 300 G N 0.336 108.946 108.800 -0.318 0.000 2.502 300 G HA2 0.605 4.566 3.960 0.000 0.000 0.305 300 G HA3 0.605 4.566 3.960 0.000 0.000 0.305 300 G C -0.486 174.388 174.900 -0.044 0.000 1.190 300 G CA -0.280 44.735 45.100 -0.141 0.000 0.933 300 G HN 0.704 nan 8.290 nan 0.000 0.503 301 T N -0.612 113.884 114.554 -0.097 0.000 2.868 301 T HA 0.448 4.798 4.350 0.000 0.000 0.306 301 T C -0.048 174.566 174.700 -0.143 0.000 1.224 301 T CA -0.654 61.362 62.100 -0.139 0.000 1.012 301 T CB 1.429 70.138 68.868 -0.265 0.000 1.221 301 T HN 0.195 nan 8.240 nan 0.000 0.499 302 M N 3.594 123.116 119.600 -0.131 0.000 2.685 302 M HA 0.391 4.872 4.480 0.000 0.000 0.355 302 M C 0.349 176.585 176.300 -0.106 0.000 1.197 302 M CA 0.061 55.307 55.300 -0.090 0.000 0.947 302 M CB -0.953 31.636 32.600 -0.018 0.000 1.346 302 M HN 0.687 nan 8.290 nan 0.000 0.516 303 L N 1.889 123.002 121.223 -0.182 0.000 3.634 303 L HA -0.232 4.108 4.340 0.000 0.000 0.423 303 L C 0.584 177.400 176.870 -0.090 0.000 1.253 303 L CA 0.391 55.125 54.840 -0.176 0.000 0.885 303 L CB -1.794 40.187 42.059 -0.131 0.000 1.789 303 L HN 0.441 nan 8.230 nan 0.000 0.904 304 E N 0.751 120.902 120.200 -0.081 0.000 2.345 304 E HA 0.516 4.867 4.350 0.000 0.000 0.259 304 E C 0.916 177.504 176.600 -0.021 0.000 1.117 304 E CA 0.137 56.514 56.400 -0.039 0.000 0.913 304 E CB 1.006 30.683 29.700 -0.039 0.000 1.057 304 E HN 0.163 nan 8.360 nan 0.000 0.432 305 G N 0.457 109.255 108.800 -0.005 0.000 2.486 305 G HA2 0.016 3.976 3.960 0.000 0.000 0.272 305 G HA3 0.016 3.976 3.960 0.000 0.000 0.272 305 G C 0.818 175.731 174.900 0.022 0.000 1.426 305 G CA 0.003 45.111 45.100 0.014 0.000 1.058 305 G HN 0.459 nan 8.290 nan 0.000 0.531 306 S N -0.727 114.995 115.700 0.036 0.000 2.383 306 S HA -0.133 4.337 4.470 0.000 0.000 0.229 306 S C 2.350 176.957 174.600 0.012 0.000 1.030 306 S CA 1.154 59.376 58.200 0.036 0.000 1.002 306 S CB -0.355 62.871 63.200 0.043 0.000 0.829 306 S HN 0.431 nan 8.310 nan 0.000 0.467 307 I N 1.309 121.881 120.570 0.004 0.000 2.090 307 I HA -0.151 4.020 4.170 0.000 0.000 0.236 307 I C 2.777 178.879 176.117 -0.025 0.000 1.064 307 I CA 1.420 62.715 61.300 -0.009 0.000 1.324 307 I CB -0.960 37.035 38.000 -0.008 0.000 1.044 307 I HN 0.381 nan 8.210 nan 0.000 0.399 308 G N -0.398 108.385 108.800 -0.029 0.000 2.443 308 G HA2 -0.169 3.791 3.960 0.000 0.000 0.219 308 G HA3 -0.169 3.791 3.960 0.000 0.000 0.219 308 G C 1.637 176.495 174.900 -0.071 0.000 1.131 308 G CA 1.163 46.231 45.100 -0.053 0.000 0.775 308 G HN 0.290 nan 8.290 nan 0.000 0.547 309 T N 1.097 115.624 114.554 -0.045 0.000 2.896 309 T HA 0.065 4.416 4.350 0.000 0.000 0.263 309 T C 2.240 176.900 174.700 -0.067 0.000 1.050 309 T CA 0.260 62.332 62.100 -0.047 0.000 1.140 309 T CB -0.047 68.826 68.868 0.009 0.000 0.877 309 T HN 0.011 nan 8.240 nan 0.000 0.457 310 L N 0.968 122.172 121.223 -0.032 0.000 2.156 310 L HA 0.127 4.467 4.340 0.000 0.000 0.208 310 L C 2.854 179.748 176.870 0.039 0.000 1.095 310 L CA 1.214 56.060 54.840 0.009 0.000 0.770 310 L CB -1.415 40.678 42.059 0.057 0.000 0.914 310 L HN 0.237 nan 8.230 nan 0.000 0.439 311 A N -0.756 122.038 122.820 -0.043 0.000 1.930 311 A HA -0.142 4.179 4.320 0.000 0.000 0.217 311 A C 2.541 180.010 177.584 -0.192 0.000 1.175 311 A CA 1.755 53.742 52.037 -0.084 0.000 0.627 311 A CB -0.369 18.574 19.000 -0.095 0.000 0.815 311 A HN 0.402 nan 8.150 nan 0.000 0.443 312 S N 0.006 115.532 115.700 -0.290 0.000 2.355 312 S HA -0.023 4.448 4.470 0.000 0.000 0.222 312 S C 2.335 176.371 174.600 -0.940 0.000 1.031 312 S CA 1.142 58.963 58.200 -0.632 0.000 0.993 312 S CB -0.487 62.428 63.200 -0.476 0.000 0.859 312 S HN 0.789 nan 8.310 nan 0.000 0.453 313 A N 1.206 123.735 122.820 -0.484 0.000 1.940 313 A HA -0.175 4.145 4.320 0.000 0.000 0.219 313 A C 1.766 179.168 177.584 -0.304 0.000 1.176 313 A CA 1.806 53.634 52.037 -0.349 0.000 0.631 313 A CB -0.905 17.969 19.000 -0.210 0.000 0.814 313 A HN 0.562 nan 8.150 nan 0.000 0.446 314 H N -0.602 118.329 119.070 -0.231 0.000 2.423 314 H HA 0.100 4.656 4.556 0.001 0.000 0.297 314 H C 2.384 177.630 175.328 -0.137 0.000 1.075 314 H CA 1.437 57.398 56.048 -0.145 0.000 1.342 314 H CB -0.050 29.644 29.762 -0.113 0.000 1.395 314 H HN 0.537 nan 8.280 nan 0.000 0.530 315 A N 0.408 123.148 122.820 -0.134 0.000 1.854 315 A HA -0.113 4.207 4.320 0.000 0.000 0.214 315 A C 1.654 179.261 177.584 0.038 0.000 1.192 315 A CA 1.203 53.184 52.037 -0.093 0.000 0.611 315 A CB -0.702 18.189 19.000 -0.182 0.000 0.832 315 A HN 0.297 nan 8.150 nan 0.000 0.442 316 F N 0.488 120.426 119.950 -0.019 0.000 2.250 316 F HA -0.081 4.446 4.527 0.001 0.000 0.301 316 F C 1.937 177.713 175.800 -0.040 0.000 1.077 316 F CA 0.200 58.181 58.000 -0.031 0.000 1.348 316 F CB -1.175 37.794 39.000 -0.051 0.000 1.040 316 F HN 0.093 nan 8.300 nan 0.000 0.509 317 L N -0.068 121.208 121.223 0.088 0.000 2.362 317 L HA -0.147 4.193 4.340 0.000 0.000 0.219 317 L C 2.261 179.149 176.870 0.031 0.000 1.134 317 L CA 1.591 56.444 54.840 0.020 0.000 0.807 317 L CB -1.015 41.007 42.059 -0.062 0.000 0.927 317 L HN 0.284 nan 8.230 nan 0.000 0.447 318 T N -3.174 111.413 114.554 0.055 0.000 3.081 318 T HA 0.149 4.500 4.350 0.000 0.000 0.250 318 T C 0.748 175.478 174.700 0.051 0.000 1.100 318 T CA -0.177 61.951 62.100 0.047 0.000 1.038 318 T CB -0.166 68.730 68.868 0.048 0.000 0.962 318 T HN 0.058 nan 8.240 nan 0.000 0.516 319 L N 2.146 123.410 121.223 0.069 0.000 2.367 319 L HA 0.418 4.758 4.340 0.000 0.000 0.275 319 L C 2.033 178.917 176.870 0.024 0.000 1.129 319 L CA -0.751 54.121 54.840 0.054 0.000 0.839 319 L CB 0.851 42.950 42.059 0.068 0.000 1.133 319 L HN 0.115 nan 8.230 nan 0.000 0.453 320 R N 2.133 122.642 120.500 0.014 0.000 2.094 320 R HA -0.109 4.231 4.340 0.000 0.000 0.239 320 R C 0.182 176.473 176.300 -0.015 0.000 1.137 320 R CA 1.577 57.677 56.100 -0.001 0.000 0.943 320 R CB 0.271 30.570 30.300 -0.002 0.000 0.850 320 R HN 0.671 nan 8.270 nan 0.000 0.433 321 Q N -0.785 119.003 119.800 -0.021 0.000 2.379 321 Q HA 0.392 4.732 4.340 0.000 0.000 0.278 321 Q C -1.522 174.451 176.000 -0.045 0.000 1.068 321 Q CA -0.618 55.159 55.803 -0.043 0.000 0.816 321 Q CB 2.611 31.314 28.738 -0.059 0.000 1.387 321 Q HN 0.181 nan 8.270 nan 0.000 0.413 322 L N 1.960 123.145 121.223 -0.064 0.000 2.481 322 L HA 0.223 4.563 4.340 0.000 0.000 0.255 322 L C 0.866 177.676 176.870 -0.100 0.000 1.192 322 L CA 0.003 54.809 54.840 -0.056 0.000 0.924 322 L CB 1.299 43.314 42.059 -0.073 0.000 1.179 322 L HN 0.759 nan 8.230 nan 0.000 0.491 323 T N -0.351 114.099 114.554 -0.174 0.000 2.721 323 T HA -0.223 4.127 4.350 0.000 0.000 0.268 323 T C 0.887 175.160 174.700 -0.711 0.000 1.038 323 T CA 2.137 63.951 62.100 -0.476 0.000 1.145 323 T CB -0.179 68.329 68.868 -0.599 0.000 0.858 323 T HN 0.561 nan 8.240 nan 0.000 0.459 324 W N 1.099 122.430 121.300 0.052 0.000 3.239 324 W HA 0.500 5.160 4.660 0.000 0.000 0.348 324 W C 1.454 178.094 176.519 0.203 0.000 1.183 324 W CA -0.032 57.380 57.345 0.111 0.000 1.819 324 W CB -0.266 29.246 29.460 0.087 0.000 1.091 324 W HN 0.547 nan 8.180 nan 0.000 0.629 325 G N 1.122 110.026 108.800 0.174 0.000 2.553 325 G HA2 -0.106 3.854 3.960 0.000 0.000 0.242 325 G HA3 -0.106 3.854 3.960 0.000 0.000 0.242 325 G C 0.028 174.909 174.900 -0.032 0.000 1.277 325 G CA 0.154 45.308 45.100 0.091 0.000 0.910 325 G HN 0.399 nan 8.290 nan 0.000 0.576 326 T N -2.953 111.537 114.554 -0.107 0.000 2.838 326 T HA 0.737 5.088 4.350 0.000 0.000 0.292 326 T C 0.136 174.718 174.700 -0.197 0.000 1.113 326 T CA 0.445 62.331 62.100 -0.356 0.000 1.008 326 T CB 2.061 70.854 68.868 -0.125 0.000 1.259 326 T HN 1.530 nan 8.240 nan 0.000 0.520 327 E N 0.825 120.885 120.200 -0.234 0.000 3.157 327 E HA 0.301 4.652 4.350 0.000 0.000 0.203 327 E C -0.195 176.382 176.600 -0.038 0.000 0.982 327 E CA -0.531 55.916 56.400 0.079 0.000 1.217 327 E CB -0.118 29.654 29.700 0.121 0.000 1.123 327 E HN 0.503 nan 8.360 nan 0.000 0.457 328 L N 2.373 123.633 121.223 0.061 0.000 2.376 328 L HA 0.176 4.517 4.340 0.000 0.000 0.250 328 L C -0.074 176.949 176.870 0.255 0.000 1.335 328 L CA -0.201 54.673 54.840 0.057 0.000 1.214 328 L CB -0.840 41.289 42.059 0.118 0.000 1.395 328 L HN 0.419 nan 8.230 nan 0.000 0.424 329 F N -2.295 117.790 119.950 0.225 0.000 2.688 329 F HA 0.430 4.958 4.527 0.001 0.000 0.310 329 F C 1.664 177.567 175.800 0.171 0.000 1.098 329 F CA -0.597 57.547 58.000 0.240 0.000 1.228 329 F CB -0.723 38.479 39.000 0.335 0.000 1.042 329 F HN 0.138 nan 8.300 nan 0.000 0.557 330 G N 2.380 111.142 108.800 -0.064 0.000 2.529 330 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 330 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 330 G C -0.613 174.366 174.900 0.131 0.000 1.177 330 G CA 1.341 46.436 45.100 -0.009 0.000 0.773 330 G HN 0.303 nan 8.290 nan 0.000 0.573 331 P HA -0.046 nan 4.420 nan 0.000 0.218 331 P C 1.846 179.235 177.300 0.149 0.000 1.146 331 P CA 0.689 63.889 63.100 0.168 0.000 0.813 331 P CB -0.127 31.729 31.700 0.261 0.000 0.778 332 L N -2.006 119.308 121.223 0.152 0.000 2.465 332 L HA -0.067 4.274 4.340 0.000 0.000 0.224 332 L C 1.937 178.942 176.870 0.225 0.000 1.145 332 L CA 0.781 55.693 54.840 0.121 0.000 0.834 332 L CB -0.553 41.546 42.059 0.067 0.000 0.944 332 L HN 0.019 nan 8.230 nan 0.000 0.451 333 L N -0.743 120.626 121.223 0.243 0.000 2.477 333 L HA 0.094 4.435 4.340 0.000 0.000 0.220 333 L C 0.647 177.581 176.870 0.107 0.000 1.106 333 L CA -0.013 54.946 54.840 0.197 0.000 0.851 333 L CB 0.088 42.256 42.059 0.182 0.000 0.994 333 L HN 0.132 nan 8.230 nan 0.000 0.462 334 L N -0.050 121.221 121.223 0.080 0.000 2.326 334 L HA 0.169 4.509 4.340 0.000 0.000 0.278 334 L C 1.517 178.398 176.870 0.018 0.000 1.092 334 L CA -0.223 54.631 54.840 0.024 0.000 0.810 334 L CB 1.427 43.485 42.059 -0.002 0.000 1.153 334 L HN 0.141 nan 8.230 nan 0.000 0.439 335 T N -1.770 112.779 114.554 -0.008 0.000 3.009 335 T HA 0.126 4.476 4.350 0.000 0.000 0.258 335 T C 0.566 175.255 174.700 -0.018 0.000 1.063 335 T CA 0.224 62.327 62.100 0.004 0.000 1.139 335 T CB 0.254 69.130 68.868 0.014 0.000 0.890 335 T HN 0.495 nan 8.240 nan 0.000 0.471 336 E N 0.636 120.779 120.200 -0.094 0.000 2.336 336 E HA 0.706 5.057 4.350 0.000 0.000 0.267 336 E C -1.149 175.347 176.600 -0.174 0.000 0.906 336 E CA -0.561 55.757 56.400 -0.137 0.000 0.781 336 E CB 2.830 32.348 29.700 -0.303 0.000 1.261 336 E HN 0.401 nan 8.360 nan 0.000 0.436 337 E N 0.902 121.041 120.200 -0.103 0.000 2.408 337 E HA 0.253 4.603 4.350 0.000 0.000 0.275 337 E C -0.184 176.404 176.600 -0.020 0.000 0.935 337 E CA -0.567 55.793 56.400 -0.066 0.000 0.775 337 E CB 1.097 30.794 29.700 -0.005 0.000 1.277 337 E HN 0.425 nan 8.360 nan 0.000 0.455 338 I N 1.294 121.864 120.570 0.000 0.000 3.884 338 I HA 0.371 4.541 4.170 0.000 0.000 0.330 338 I C -0.823 175.321 176.117 0.045 0.000 1.451 338 I CA -0.227 61.104 61.300 0.051 0.000 1.165 338 I CB -0.347 37.694 38.000 0.067 0.000 1.097 338 I HN 0.157 nan 8.210 nan 0.000 0.404 339 V N 1.570 121.505 119.914 0.034 0.000 2.769 339 V HA 0.372 4.493 4.120 0.000 0.000 0.312 339 V C 0.909 177.023 176.094 0.035 0.000 1.061 339 V CA -0.425 61.894 62.300 0.031 0.000 0.931 339 V CB 2.334 34.172 31.823 0.025 0.000 1.010 339 V HN 0.264 nan 8.190 nan 0.000 0.433 340 N N 1.945 120.664 118.700 0.031 0.000 2.416 340 N HA 0.045 4.785 4.740 0.000 0.000 0.177 340 N C -0.573 174.954 175.510 0.028 0.000 1.036 340 N CA 0.237 53.305 53.050 0.031 0.000 0.901 340 N CB 0.374 38.877 38.487 0.026 0.000 0.976 340 N HN 0.609 nan 8.380 nan 0.000 0.444 341 E N 1.434 121.650 120.200 0.026 0.000 2.081 341 E HA 0.217 4.567 4.350 0.000 0.000 0.276 341 E C -2.331 174.288 176.600 0.032 0.000 0.950 341 E CA -2.045 54.370 56.400 0.024 0.000 0.776 341 E CB 0.985 30.695 29.700 0.018 0.000 1.094 341 E HN 0.135 nan 8.360 nan 0.000 0.402 342 P HA 0.149 nan 4.420 nan 0.000 0.275 342 P C -2.352 174.980 177.300 0.053 0.000 1.227 342 P CA -1.230 61.905 63.100 0.058 0.000 0.781 342 P CB 0.227 31.962 31.700 0.059 0.000 0.906 343 P HA 0.175 nan 4.420 nan 0.000 0.274 343 P C -0.696 176.584 177.300 -0.034 0.000 1.231 343 P CA -0.166 62.931 63.100 -0.006 0.000 0.790 343 P CB 0.827 32.536 31.700 0.016 0.000 0.951 344 Q N 1.457 121.171 119.800 -0.143 0.000 2.377 344 Q HA 0.301 4.641 4.340 0.000 0.000 0.249 344 Q C -1.081 174.833 176.000 -0.143 0.000 1.005 344 Q CA -0.074 55.685 55.803 -0.073 0.000 0.912 344 Q CB 0.409 29.136 28.738 -0.020 0.000 1.223 344 Q HN 0.429 nan 8.270 nan 0.000 0.459 345 Y N 2.075 122.417 120.300 0.070 0.000 2.334 345 Y HA 0.517 5.067 4.550 0.000 0.000 0.336 345 Y C -0.047 175.853 175.900 0.000 0.000 0.960 345 Y CA -0.825 57.300 58.100 0.042 0.000 1.164 345 Y CB 1.433 39.878 38.460 -0.025 0.000 1.155 345 Y HN 0.503 nan 8.280 nan 0.000 0.478 346 R N 2.199 122.808 120.500 0.182 0.000 2.579 346 R HA 0.331 4.671 4.340 0.000 0.000 0.260 346 R C -1.662 174.675 176.300 0.061 0.000 1.103 346 R CA -0.487 55.634 56.100 0.035 0.000 0.942 346 R CB 0.864 31.121 30.300 -0.072 0.000 1.251 346 R HN 0.584 nan 8.270 nan 0.000 0.450 347 D N 4.791 125.077 120.400 -0.190 0.000 2.699 347 D HA -0.208 4.432 4.640 0.000 0.000 0.239 347 D C -0.581 175.600 176.300 -0.199 0.000 1.136 347 D CA 1.725 55.529 54.000 -0.326 0.000 0.668 347 D CB -0.721 40.042 40.800 -0.062 0.000 1.060 347 D HN 0.694 nan 8.370 nan 0.000 0.429 348 F N -3.029 116.902 119.950 -0.032 0.000 2.748 348 F HA -0.327 4.200 4.527 0.000 0.000 0.370 348 F C 1.104 176.892 175.800 -0.020 0.000 0.620 348 F CA 1.286 59.255 58.000 -0.052 0.000 1.233 348 F CB -1.763 37.221 39.000 -0.026 0.000 1.708 348 F HN 0.255 nan 8.300 nan 0.000 0.298 349 Q N -0.372 119.487 119.800 0.099 0.000 2.528 349 Q HA 0.759 5.099 4.340 0.000 0.000 0.289 349 Q C -1.249 174.661 176.000 -0.150 0.000 1.091 349 Q CA -1.448 54.329 55.803 -0.043 0.000 0.797 349 Q CB 2.650 31.250 28.738 -0.231 0.000 1.466 349 Q HN 0.115 nan 8.270 nan 0.000 0.436 350 L N 1.490 122.550 121.223 -0.271 0.000 2.272 350 L HA 0.335 4.675 4.340 0.000 0.000 0.289 350 L C -1.238 175.345 176.870 -0.479 0.000 1.032 350 L CA -0.062 54.534 54.840 -0.407 0.000 0.810 350 L CB 0.672 42.542 42.059 -0.315 0.000 1.205 350 L HN 0.524 nan 8.230 nan 0.000 0.422 351 H N 6.221 125.166 119.070 -0.208 0.000 2.517 351 H HA 0.408 4.964 4.556 0.000 0.000 0.317 351 H C -0.822 174.414 175.328 -0.153 0.000 1.080 351 H CA -0.498 55.464 56.048 -0.143 0.000 1.301 351 H CB 1.529 31.225 29.762 -0.109 0.000 1.425 351 H HN 0.454 nan 8.280 nan 0.000 0.471 352 I N 5.699 126.223 120.570 -0.077 0.000 2.339 352 I HA 0.220 4.391 4.170 0.000 0.000 0.290 352 I C -2.064 174.010 176.117 -0.071 0.000 0.994 352 I CA -1.968 59.255 61.300 -0.128 0.000 1.191 352 I CB 1.169 38.994 38.000 -0.292 0.000 1.343 352 I HN 0.356 nan 8.210 nan 0.000 0.458 353 P HA 0.272 nan 4.420 nan 0.000 0.272 353 P C -0.082 177.245 177.300 0.045 0.000 1.230 353 P CA -0.464 62.645 63.100 0.014 0.000 0.788 353 P CB 0.561 32.277 31.700 0.027 0.000 0.949 354 R N -0.235 120.289 120.500 0.040 0.000 2.515 354 R HA 0.138 4.478 4.340 0.000 0.000 0.294 354 R C 0.437 176.768 176.300 0.051 0.000 1.021 354 R CA -0.014 56.119 56.100 0.054 0.000 1.081 354 R CB -0.467 29.850 30.300 0.028 0.000 1.263 354 R HN 0.594 nan 8.270 nan 0.000 0.557 355 T N -0.882 113.702 114.554 0.051 0.000 2.766 355 T HA 0.230 4.580 4.350 0.000 0.000 0.295 355 T C -2.361 172.347 174.700 0.013 0.000 1.024 355 T CA -1.800 60.316 62.100 0.027 0.000 1.018 355 T CB 0.852 69.732 68.868 0.020 0.000 1.002 355 T HN -0.164 nan 8.240 nan 0.000 0.532 356 P HA 0.286 nan 4.420 nan 0.000 0.265 356 P C 1.179 178.443 177.300 -0.060 0.000 1.193 356 P CA 1.337 64.420 63.100 -0.028 0.000 0.765 356 P CB -0.084 31.603 31.700 -0.022 0.000 0.823 357 G N 2.523 111.265 108.800 -0.097 0.000 2.611 357 G HA2 -0.328 3.632 3.960 0.000 0.000 0.301 357 G HA3 -0.328 3.632 3.960 0.000 0.000 0.301 357 G C 0.776 175.516 174.900 -0.265 0.000 1.233 357 G CA 0.268 45.276 45.100 -0.154 0.000 0.993 357 G HN 0.495 nan 8.290 nan 0.000 0.553 358 L N 2.163 123.259 121.223 -0.212 0.000 2.492 358 L HA 0.351 4.692 4.340 0.000 0.000 0.223 358 L C 2.256 179.096 176.870 -0.049 0.000 1.132 358 L CA 0.903 55.621 54.840 -0.204 0.000 0.850 358 L CB -0.480 41.509 42.059 -0.117 0.000 0.966 358 L HN 1.933 nan 8.230 nan 0.000 0.454 359 G N 0.911 109.686 108.800 -0.042 0.000 2.246 359 G HA2 -0.238 3.723 3.960 0.000 0.000 0.273 359 G HA3 -0.238 3.723 3.960 0.000 0.000 0.273 359 G C -0.367 174.536 174.900 0.005 0.000 1.055 359 G CA -0.057 45.044 45.100 0.000 0.000 0.851 359 G HN 0.090 nan 8.290 nan 0.000 0.500 360 L N -0.648 120.572 121.223 -0.006 0.000 2.333 360 L HA 0.898 5.238 4.340 0.000 0.000 0.263 360 L C 0.361 177.231 176.870 -0.000 0.000 1.014 360 L CA -0.792 54.048 54.840 0.001 0.000 0.820 360 L CB 2.064 44.124 42.059 0.001 0.000 1.352 360 L HN 0.101 nan 8.230 nan 0.000 0.421 361 T N 2.130 116.688 114.554 0.007 0.000 2.916 361 T HA 0.584 4.934 4.350 0.000 0.000 0.298 361 T C -0.424 174.285 174.700 0.015 0.000 1.031 361 T CA -0.452 61.654 62.100 0.009 0.000 0.993 361 T CB 1.427 70.301 68.868 0.009 0.000 1.045 361 T HN 0.280 nan 8.240 nan 0.000 0.454 362 L N 2.812 124.045 121.223 0.017 0.000 2.380 362 L HA 0.293 4.633 4.340 0.000 0.000 0.273 362 L C 0.542 177.431 176.870 0.031 0.000 1.138 362 L CA -0.444 54.411 54.840 0.025 0.000 0.832 362 L CB 0.517 42.591 42.059 0.024 0.000 1.124 362 L HN 0.590 nan 8.230 nan 0.000 0.454 363 D N 3.552 123.978 120.400 0.043 0.000 2.453 363 D HA 0.003 4.643 4.640 0.000 0.000 0.223 363 D C 0.978 177.313 176.300 0.058 0.000 1.183 363 D CA -0.112 53.919 54.000 0.052 0.000 0.933 363 D CB 0.769 41.610 40.800 0.068 0.000 1.038 363 D HN 0.437 nan 8.370 nan 0.000 0.513 364 E N 2.459 122.684 120.200 0.042 0.000 2.160 364 E HA -0.261 4.090 4.350 0.000 0.000 0.195 364 E C 1.424 178.047 176.600 0.038 0.000 0.991 364 E CA 0.856 57.278 56.400 0.037 0.000 0.810 364 E CB 0.162 29.876 29.700 0.024 0.000 0.742 364 E HN 0.625 nan 8.360 nan 0.000 0.466 365 Q N 0.977 120.800 119.800 0.038 0.000 2.049 365 Q HA -0.084 4.256 4.340 0.000 0.000 0.198 365 Q C 2.146 178.168 176.000 0.037 0.000 0.971 365 Q CA 1.238 57.056 55.803 0.026 0.000 0.833 365 Q CB 0.061 28.813 28.738 0.023 0.000 0.896 365 Q HN 0.037 nan 8.270 nan 0.000 0.434 366 R N -0.486 120.075 120.500 0.102 0.000 2.115 366 R HA -0.055 4.285 4.340 0.000 0.000 0.226 366 R C 2.171 178.642 176.300 0.285 0.000 1.100 366 R CA 0.973 57.211 56.100 0.229 0.000 0.980 366 R CB -0.232 30.257 30.300 0.315 0.000 0.875 366 R HN 0.281 nan 8.270 nan 0.000 0.445 367 L N 0.203 121.528 121.223 0.171 0.000 2.017 367 L HA -0.087 4.253 4.340 0.000 0.000 0.208 367 L C 2.135 179.065 176.870 0.100 0.000 1.073 367 L CA 2.001 56.929 54.840 0.146 0.000 0.745 367 L CB -0.535 41.577 42.059 0.088 0.000 0.894 367 L HN 0.149 nan 8.230 nan 0.000 0.432 368 A N -0.432 122.415 122.820 0.045 0.000 1.902 368 A HA -0.257 4.064 4.320 0.000 0.000 0.217 368 A C 2.495 180.053 177.584 -0.044 0.000 1.181 368 A CA 1.810 53.849 52.037 0.005 0.000 0.623 368 A CB -0.656 18.339 19.000 -0.009 0.000 0.818 368 A HN 0.511 nan 8.150 nan 0.000 0.443 369 R N -1.678 118.750 120.500 -0.121 0.000 2.096 369 R HA -0.090 4.250 4.340 0.000 0.000 0.235 369 R C 1.100 177.149 176.300 -0.418 0.000 1.127 369 R CA 1.877 57.775 56.100 -0.338 0.000 0.968 369 R CB -0.303 29.654 30.300 -0.571 0.000 0.861 369 R HN 0.463 nan 8.270 nan 0.000 0.440 370 F N 0.302 120.261 119.950 0.016 0.000 2.721 370 F HA 0.412 4.939 4.527 0.000 0.000 0.301 370 F C 0.944 176.754 175.800 0.017 0.000 1.096 370 F CA -0.147 57.864 58.000 0.018 0.000 1.308 370 F CB 0.064 39.077 39.000 0.021 0.000 1.086 370 F HN 0.019 nan 8.300 nan 0.000 0.587 371 A N 1.847 124.752 122.820 0.142 0.000 2.425 371 A HA 0.500 4.820 4.320 0.000 0.000 0.242 371 A C 0.706 178.330 177.584 0.066 0.000 1.077 371 A CA -0.350 51.743 52.037 0.094 0.000 0.781 371 A CB 0.285 19.322 19.000 0.061 0.000 1.020 371 A HN 0.457 nan 8.150 nan 0.000 0.494 372 R N 0.000 120.534 120.500 0.057 0.000 2.786 372 R HA 0.000 4.340 4.340 0.000 0.000 0.208 372 R CA 0.000 56.126 56.100 0.043 0.000 0.921 372 R CB 0.000 30.329 30.300 0.048 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535