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 2w6u_1_B DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVXXXXXX XXXXXXXXXX XXQLGTITED DATA SEQUENCE SGSYTPGTIA TATRLVLTPR ETPQSITVVT RQNMDDFGLN NIDDVMRHTP DATA SEQUENCE GITVSAYDTD RNNYYARGFS INNFQYDGIP STARNVGYSA GNTLSDMAIY DATA SEQUENCE DRVEVLKGAT GLLTGAGSLG ATINLIRKKP THEFKGHVEL GAGSWDNYRS DATA SEQUENCE ELDVSGPLTE SGNVRGRAVA AYQDKHSFMD HYERKTSVYY GILEFDLNPD DATA SEQUENCE TMLTVGADYQ DNDPKGSGWS GSFPLFDSQG NRNDVSRSFN NGAKWSSWEQ DATA SEQUENCE YTRTVFANLE HNFANGWVGK VQLDHKINGY HAPLGAIMGD WPAPDNSAKI DATA SEQUENCE VAQKYTGETK SNSLDIYLTG PFQFLGREHE LVVGTSASFS HWEGKSYWNL DATA SEQUENCE RNYDNTTDDF INWDGDIGKP DWGTPSQYID DKTRQLGSYM TARFNVTDDL DATA SEQUENCE NLFLGGRVVD YRVTGLNPTI RESGRFIPYV GAVYDLNDTY SVYASYTDIF DATA SEQUENCE MPQDSWYRDS SNKLLEPDEG QNYEIGIKGE YLDGRLNTSL AYFEIHEENR DATA SEQUENCE AEEDALYNSK PTNPAITYAY KGIKAKTKGY EAEISGELAP GWQVQAGYTH DATA SEQUENCE KIIRDDSGKK VSTWEPQDQL SLYTSYKFKG ALDKLTVGGG ARWQGKSWQM DATA SEQUENCE VYNNPRSRWE KFSQEDYWLV DLMARYQITD KLSASVNVNN VFDKTYYTNI DATA SEQUENCE GFYTSASYGD PRNLMFSTRW DF 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 44 Q HA 0.000 nan 4.340 nan 0.000 0.214 44 Q C 0.000 176.024 176.000 0.040 0.000 1.003 44 Q CA 0.000 55.821 55.803 0.031 0.000 1.022 44 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 45 E N 0.799 121.023 120.200 0.040 0.000 2.392 45 E HA 0.264 4.615 4.350 0.001 0.000 0.264 45 E C -0.865 175.745 176.600 0.017 0.000 1.024 45 E CA 0.083 56.518 56.400 0.057 0.000 0.903 45 E CB 1.176 30.910 29.700 0.057 0.000 0.963 45 E HN 0.156 nan 8.360 nan 0.000 0.432 46 V N 2.434 122.354 119.914 0.009 0.000 2.864 46 V HA 0.126 4.246 4.120 0.001 0.000 0.314 46 V C -0.315 175.637 176.094 -0.236 0.000 1.073 46 V CA -0.842 61.354 62.300 -0.174 0.000 0.956 46 V CB 2.149 33.755 31.823 -0.362 0.000 1.023 46 V HN 0.594 nan 8.190 nan 0.000 0.435 47 E N 2.011 122.030 120.200 -0.302 0.000 2.180 47 E HA 0.399 4.749 4.350 0.001 0.000 0.283 47 E C -1.519 174.857 176.600 -0.374 0.000 1.061 47 E CA 0.226 56.499 56.400 -0.210 0.000 0.861 47 E CB 0.293 29.913 29.700 -0.133 0.000 1.056 47 E HN 0.341 nan 8.360 nan 0.000 0.407 48 F N 2.891 122.842 119.950 0.001 0.000 2.444 48 F HA 0.315 4.842 4.527 -0.000 0.000 0.342 48 F C -0.000 175.814 175.800 0.023 0.000 1.121 48 F CA -0.797 57.210 58.000 0.011 0.000 0.997 48 F CB 1.639 40.667 39.000 0.046 0.000 1.130 48 F HN 0.268 nan 8.300 nan 0.000 0.454 49 D N 5.219 125.754 120.400 0.224 0.000 2.363 49 D HA 0.354 4.995 4.640 0.001 0.000 0.258 49 D C -1.078 175.312 176.300 0.150 0.000 1.259 49 D CA 0.014 54.106 54.000 0.154 0.000 0.921 49 D CB 0.480 41.330 40.800 0.083 0.000 1.201 49 D HN 0.383 nan 8.370 nan 0.000 0.524 50 I N 4.102 124.771 120.570 0.164 0.000 2.410 50 I HA 0.345 4.515 4.170 0.001 0.000 0.286 50 I C -2.322 173.840 176.117 0.076 0.000 1.009 50 I CA -1.968 59.408 61.300 0.127 0.000 1.111 50 I CB 2.237 40.339 38.000 0.170 0.000 1.262 50 I HN 0.032 nan 8.210 nan 0.000 0.443 51 P HA 0.359 nan 4.420 nan 0.000 0.284 51 P C -2.623 174.689 177.300 0.020 0.000 1.258 51 P CA -2.267 60.853 63.100 0.034 0.000 0.824 51 P CB 0.054 31.772 31.700 0.030 0.000 1.038 52 P HA 0.002 nan 4.420 nan 0.000 0.257 52 P C -0.410 176.888 177.300 -0.003 0.000 1.189 52 P CA 0.748 63.847 63.100 -0.001 0.000 0.780 52 P CB -0.101 31.597 31.700 -0.003 0.000 0.772 53 Q N 2.364 122.158 119.800 -0.010 0.000 2.857 53 Q HA 0.757 5.097 4.340 0.001 0.000 0.319 53 Q C -1.002 174.983 176.000 -0.025 0.000 0.963 53 Q CA -1.520 54.277 55.803 -0.011 0.000 0.770 53 Q CB 0.998 29.735 28.738 -0.002 0.000 1.492 53 Q HN 0.225 nan 8.270 nan 0.000 0.493 54 A N 1.106 123.910 122.820 -0.026 0.000 2.548 54 A HA 0.086 4.406 4.320 0.001 0.000 0.247 54 A C 0.770 178.314 177.584 -0.067 0.000 1.067 54 A CA -0.299 51.714 52.037 -0.041 0.000 0.757 54 A CB -0.109 18.871 19.000 -0.032 0.000 0.996 54 A HN 0.730 nan 8.150 nan 0.000 0.504 55 L N 4.054 125.222 121.223 -0.092 0.000 2.197 55 L HA -0.137 4.204 4.340 0.001 0.000 0.215 55 L C 2.198 178.941 176.870 -0.212 0.000 1.095 55 L CA 2.730 57.487 54.840 -0.139 0.000 0.764 55 L CB -0.898 41.071 42.059 -0.150 0.000 0.897 55 L HN 0.808 nan 8.230 nan 0.000 0.436 56 G N -1.419 107.257 108.800 -0.207 0.000 2.459 56 G HA2 -0.296 3.665 3.960 0.001 0.000 0.217 56 G HA3 -0.296 3.665 3.960 0.001 0.000 0.217 56 G C 1.482 176.283 174.900 -0.166 0.000 1.183 56 G CA 1.057 45.990 45.100 -0.278 0.000 0.776 56 G HN 0.565 nan 8.290 nan 0.000 0.552 57 S N 1.350 117.014 115.700 -0.062 0.000 2.425 57 S HA 0.274 4.745 4.470 0.001 0.000 0.225 57 S C 2.660 177.267 174.600 0.012 0.000 1.024 57 S CA 1.056 59.257 58.200 0.000 0.000 0.951 57 S CB -0.370 62.837 63.200 0.012 0.000 0.796 57 S HN 0.613 nan 8.310 nan 0.000 0.498 58 A N 2.754 125.564 122.820 -0.016 0.000 1.896 58 A HA -0.166 4.155 4.320 0.001 0.000 0.220 58 A C 2.199 179.810 177.584 0.045 0.000 1.206 58 A CA 1.959 54.000 52.037 0.006 0.000 0.647 58 A CB -1.172 17.802 19.000 -0.044 0.000 0.828 58 A HN 0.505 nan 8.150 nan 0.000 0.455 59 L N -1.419 119.782 121.223 -0.037 0.000 2.083 59 L HA -0.230 4.110 4.340 0.001 0.000 0.209 59 L C 2.858 179.837 176.870 0.180 0.000 1.083 59 L CA 1.634 56.485 54.840 0.019 0.000 0.752 59 L CB -0.509 41.452 42.059 -0.164 0.000 0.899 59 L HN 0.493 nan 8.230 nan 0.000 0.433 60 Q N -0.562 119.327 119.800 0.149 0.000 2.245 60 Q HA -0.210 4.131 4.340 0.001 0.000 0.201 60 Q C 2.032 178.119 176.000 0.145 0.000 0.955 60 Q CA 1.140 57.046 55.803 0.171 0.000 0.870 60 Q CB 0.156 28.978 28.738 0.141 0.000 0.945 60 Q HN 0.406 nan 8.270 nan 0.000 0.461 61 E N 0.198 120.485 120.200 0.144 0.000 2.112 61 E HA -0.140 4.210 4.350 0.001 0.000 0.190 61 E C 1.405 178.121 176.600 0.193 0.000 0.979 61 E CA 0.458 56.938 56.400 0.133 0.000 0.814 61 E CB -0.158 29.612 29.700 0.115 0.000 0.762 61 E HN 0.245 nan 8.360 nan 0.000 0.460 62 F N 0.739 120.759 119.950 0.117 0.000 2.184 62 F HA -0.134 4.393 4.527 0.000 0.000 0.301 62 F C 1.885 177.791 175.800 0.177 0.000 1.076 62 F CA 1.963 60.073 58.000 0.184 0.000 1.295 62 F CB -0.604 38.465 39.000 0.115 0.000 1.026 62 F HN 0.161 nan 8.300 nan 0.000 0.494 63 G N -0.395 108.546 108.800 0.236 0.000 2.433 63 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 63 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 63 G C 1.850 176.771 174.900 0.035 0.000 1.186 63 G CA 0.731 45.916 45.100 0.142 0.000 0.779 63 G HN 0.283 nan 8.290 nan 0.000 0.543 64 R N -0.158 120.360 120.500 0.030 0.000 2.070 64 R HA -0.045 4.295 4.340 0.001 0.000 0.233 64 R C 2.943 179.207 176.300 -0.060 0.000 1.137 64 R CA 1.706 57.803 56.100 -0.005 0.000 0.945 64 R CB -0.316 29.988 30.300 0.007 0.000 0.845 64 R HN 0.435 nan 8.270 nan 0.000 0.430 65 Q N -0.679 119.069 119.800 -0.088 0.000 2.061 65 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 65 Q C 1.884 177.667 176.000 -0.361 0.000 0.984 65 Q CA 1.737 57.417 55.803 -0.205 0.000 0.846 65 Q CB -0.066 28.577 28.738 -0.158 0.000 0.902 65 Q HN 0.357 nan 8.270 nan 0.000 0.421 66 A N 0.768 123.357 122.820 -0.386 0.000 2.208 66 A HA -0.046 4.275 4.320 0.001 0.000 0.209 66 A C 0.341 177.836 177.584 -0.149 0.000 1.161 66 A CA 0.659 52.482 52.037 -0.355 0.000 0.782 66 A CB -0.043 18.707 19.000 -0.416 0.000 0.816 66 A HN 0.487 nan 8.150 nan 0.000 0.477 67 D N -1.561 118.783 120.400 -0.093 0.000 2.697 67 D HA -0.181 4.460 4.640 0.001 0.000 0.235 67 D C -0.369 175.958 176.300 0.045 0.000 1.167 67 D CA 0.965 54.962 54.000 -0.005 0.000 0.656 67 D CB -1.459 39.344 40.800 0.004 0.000 1.025 67 D HN 0.482 nan 8.370 nan 0.000 0.419 68 I N 0.132 120.741 120.570 0.065 0.000 2.865 68 I HA 0.349 4.520 4.170 0.001 0.000 0.302 68 I C -0.376 175.827 176.117 0.144 0.000 1.140 68 I CA -0.956 60.416 61.300 0.120 0.000 1.021 68 I CB 1.725 39.815 38.000 0.149 0.000 1.233 68 I HN 0.054 nan 8.210 nan 0.000 0.427 69 Q N 4.149 124.038 119.800 0.148 0.000 2.288 69 Q HA 0.552 4.892 4.340 0.001 0.000 0.254 69 Q C -1.799 174.287 176.000 0.144 0.000 0.932 69 Q CA -0.241 55.647 55.803 0.142 0.000 0.902 69 Q CB 1.366 30.188 28.738 0.140 0.000 1.203 69 Q HN 0.438 nan 8.270 nan 0.000 0.415 70 V N 5.589 125.593 119.914 0.150 0.000 2.495 70 V HA 0.497 4.617 4.120 0.001 0.000 0.298 70 V C -0.446 175.723 176.094 0.125 0.000 1.031 70 V CA -0.766 61.633 62.300 0.166 0.000 0.871 70 V CB 1.331 33.303 31.823 0.249 0.000 0.988 70 V HN 0.752 nan 8.190 nan 0.000 0.432 71 L N 5.973 127.255 121.223 0.098 0.000 2.365 71 L HA 0.800 5.140 4.340 0.001 0.000 0.273 71 L C -0.810 176.121 176.870 0.102 0.000 1.000 71 L CA -0.597 54.250 54.840 0.012 0.000 0.819 71 L CB 1.805 43.876 42.059 0.021 0.000 1.284 71 L HN 0.847 nan 8.230 nan 0.000 0.418 72 Y N 0.254 120.554 120.300 -0.000 0.000 2.750 72 Y HA 0.647 5.197 4.550 0.000 0.000 0.335 72 Y C -1.227 174.671 175.900 -0.003 0.000 1.252 72 Y CA -1.636 56.458 58.100 -0.010 0.000 1.064 72 Y CB 1.219 39.668 38.460 -0.019 0.000 1.321 72 Y HN 0.295 nan 8.280 nan 0.000 0.451 73 R N 2.155 122.800 120.500 0.242 0.000 2.215 73 R HA 0.410 4.750 4.340 0.001 0.000 0.336 73 R C -2.273 174.182 176.300 0.258 0.000 0.996 73 R CA -1.943 54.245 56.100 0.146 0.000 0.847 73 R CB 1.102 31.454 30.300 0.087 0.000 1.127 73 R HN 0.437 nan 8.270 nan 0.000 0.465 74 P HA -0.305 nan 4.420 nan 0.000 0.214 74 P C 0.967 178.347 177.300 0.133 0.000 1.169 74 P CA 1.343 64.595 63.100 0.253 0.000 0.908 74 P CB 0.225 32.016 31.700 0.152 0.000 0.791 75 E N 0.710 120.961 120.200 0.084 0.000 2.147 75 E HA -0.279 4.071 4.350 0.001 0.000 0.199 75 E C 1.749 178.374 176.600 0.041 0.000 1.005 75 E CA 1.736 58.166 56.400 0.050 0.000 0.810 75 E CB -1.146 28.577 29.700 0.037 0.000 0.736 75 E HN 0.367 nan 8.360 nan 0.000 0.460 76 E N 0.276 120.509 120.200 0.055 0.000 2.152 76 E HA -0.087 4.264 4.350 0.001 0.000 0.192 76 E C 2.121 178.724 176.600 0.006 0.000 0.983 76 E CA 1.322 57.742 56.400 0.033 0.000 0.818 76 E CB 0.259 29.986 29.700 0.045 0.000 0.758 76 E HN 0.361 nan 8.360 nan 0.000 0.467 77 V N -1.639 118.274 119.914 -0.003 0.000 3.608 77 V HA 0.139 4.260 4.120 0.001 0.000 0.269 77 V C 1.861 177.920 176.094 -0.059 0.000 1.245 77 V CA 0.376 62.630 62.300 -0.077 0.000 1.138 77 V CB -0.006 31.684 31.823 -0.222 0.000 0.841 77 V HN 0.041 nan 8.190 nan 0.000 0.451 78 R N 3.095 123.586 120.500 -0.016 0.000 2.305 78 R HA -0.313 4.028 4.340 0.001 0.000 0.226 78 R C 0.750 177.036 176.300 -0.023 0.000 1.105 78 R CA 3.041 59.136 56.100 -0.008 0.000 0.832 78 R CB -1.029 29.274 30.300 0.004 0.000 0.982 78 R HN 0.740 nan 8.270 nan 0.000 0.391 79 N N 0.119 118.804 118.700 -0.024 0.000 2.886 79 N HA 0.194 4.934 4.740 0.001 0.000 0.285 79 N C -1.473 174.017 175.510 -0.032 0.000 1.706 79 N CA -0.456 52.579 53.050 -0.025 0.000 0.904 79 N CB 0.981 39.459 38.487 -0.016 0.000 1.224 79 N HN 0.112 nan 8.380 nan 0.000 0.488 80 K N 0.716 121.089 120.400 -0.046 0.000 2.435 80 K HA 0.445 4.765 4.320 0.001 0.000 0.251 80 K C -0.812 175.755 176.600 -0.054 0.000 0.954 80 K CA -0.729 55.527 56.287 -0.051 0.000 0.820 80 K CB 2.604 35.066 32.500 -0.063 0.000 1.292 80 K HN 0.109 nan 8.250 nan 0.000 0.436 81 R N 1.655 122.126 120.500 -0.048 0.000 2.337 81 R HA 0.173 4.513 4.340 0.001 0.000 0.319 81 R C -0.210 176.059 176.300 -0.051 0.000 0.954 81 R CA -0.155 55.919 56.100 -0.043 0.000 0.840 81 R CB 1.053 31.334 30.300 -0.031 0.000 1.164 81 R HN 0.904 nan 8.270 nan 0.000 0.472 82 S N 2.706 118.371 115.700 -0.058 0.000 2.559 82 S HA 0.022 4.492 4.470 0.001 0.000 0.282 82 S C 0.202 174.775 174.600 -0.044 0.000 1.336 82 S CA -0.359 57.804 58.200 -0.061 0.000 1.037 82 S CB 0.757 63.922 63.200 -0.058 0.000 0.853 82 S HN 0.637 nan 8.310 nan 0.000 0.523 83 S N 1.203 116.875 115.700 -0.048 0.000 2.651 83 S HA 0.755 5.226 4.470 0.001 0.000 0.291 83 S C 0.014 174.598 174.600 -0.027 0.000 1.141 83 S CA -0.657 57.523 58.200 -0.033 0.000 1.027 83 S CB 1.131 64.312 63.200 -0.032 0.000 1.043 83 S HN 1.387 nan 8.310 nan 0.000 0.530 84 A N 1.960 124.773 122.820 -0.012 0.000 2.492 84 A HA 0.506 4.826 4.320 0.001 0.000 0.254 84 A C 0.364 177.947 177.584 -0.001 0.000 1.091 84 A CA -0.657 51.381 52.037 0.002 0.000 0.768 84 A CB -0.863 18.143 19.000 0.011 0.000 1.028 84 A HN 0.961 nan 8.150 nan 0.000 0.498 85 I N -0.293 120.283 120.570 0.010 0.000 2.441 85 I HA 0.890 5.060 4.170 0.001 0.000 0.295 85 I C -0.459 175.703 176.117 0.075 0.000 0.994 85 I CA -1.068 60.237 61.300 0.008 0.000 1.144 85 I CB 2.004 39.957 38.000 -0.078 0.000 1.314 85 I HN 0.500 nan 8.210 nan 0.000 0.445 86 K N 3.843 124.296 120.400 0.088 0.000 2.543 86 K HA 0.744 5.064 4.320 0.001 0.000 0.255 86 K C -0.336 176.337 176.600 0.122 0.000 0.934 86 K CA 0.485 56.839 56.287 0.111 0.000 0.810 86 K CB 1.970 34.512 32.500 0.070 0.000 1.315 86 K HN 1.276 nan 8.250 nan 0.000 0.433 87 G N 2.361 111.241 108.800 0.132 0.000 2.725 87 G HA2 -0.211 3.750 3.960 0.001 0.000 0.220 87 G HA3 -0.211 3.750 3.960 0.001 0.000 0.220 87 G C -1.203 173.791 174.900 0.157 0.000 1.357 87 G CA -0.477 44.690 45.100 0.111 0.000 0.866 87 G HN 0.618 nan 8.290 nan 0.000 0.548 88 K N 0.278 120.746 120.400 0.113 0.000 2.315 88 K HA 0.475 4.796 4.320 0.001 0.000 0.291 88 K C 0.293 176.993 176.600 0.167 0.000 1.074 88 K CA 0.041 56.400 56.287 0.119 0.000 0.936 88 K CB -0.212 32.327 32.500 0.066 0.000 1.049 88 K HN 0.403 nan 8.250 nan 0.000 0.471 89 L N 2.081 123.478 121.223 0.290 0.000 2.301 89 L HA 0.377 4.718 4.340 0.001 0.000 0.264 89 L C 0.218 177.252 176.870 0.273 0.000 1.016 89 L CA -1.200 53.797 54.840 0.261 0.000 0.821 89 L CB 1.563 43.752 42.059 0.216 0.000 1.346 89 L HN 0.426 nan 8.230 nan 0.000 0.429 90 E N 1.866 122.179 120.200 0.189 0.000 2.360 90 E HA 0.080 4.430 4.350 0.001 0.000 0.269 90 E C -1.691 175.081 176.600 0.287 0.000 1.022 90 E CA -1.493 55.018 56.400 0.184 0.000 0.887 90 E CB 1.086 30.848 29.700 0.104 0.000 0.990 90 E HN 0.272 nan 8.360 nan 0.000 0.426 91 P HA -0.279 nan 4.420 nan 0.000 0.216 91 P C 1.011 178.586 177.300 0.459 0.000 1.167 91 P CA 1.783 65.175 63.100 0.486 0.000 0.933 91 P CB -0.017 31.913 31.700 0.383 0.000 0.793 92 N N 0.277 119.166 118.700 0.315 0.000 2.205 92 N HA -0.221 4.520 4.740 0.001 0.000 0.186 92 N C 1.866 177.479 175.510 0.171 0.000 1.015 92 N CA 1.715 54.924 53.050 0.265 0.000 0.862 92 N CB -1.315 37.060 38.487 -0.187 0.000 0.986 92 N HN 0.338 nan 8.380 nan 0.000 0.429 93 Q N 0.019 119.882 119.800 0.106 0.000 2.083 93 Q HA 0.065 4.405 4.340 0.001 0.000 0.198 93 Q C 2.011 178.013 176.000 0.004 0.000 0.969 93 Q CA 1.390 57.223 55.803 0.049 0.000 0.838 93 Q CB -0.166 28.599 28.738 0.045 0.000 0.900 93 Q HN 0.481 nan 8.270 nan 0.000 0.436 94 A N 0.942 123.755 122.820 -0.012 0.000 1.865 94 A HA -0.206 4.115 4.320 0.001 0.000 0.217 94 A C 1.980 179.430 177.584 -0.223 0.000 1.191 94 A CA 1.536 53.442 52.037 -0.219 0.000 0.623 94 A CB -0.741 17.808 19.000 -0.752 0.000 0.826 94 A HN 0.538 nan 8.150 nan 0.000 0.444 95 I N -0.793 119.625 120.570 -0.254 0.000 2.394 95 I HA -0.127 4.043 4.170 0.001 0.000 0.251 95 I C 2.294 178.215 176.117 -0.327 0.000 1.136 95 I CA 2.202 63.071 61.300 -0.718 0.000 1.425 95 I CB -0.588 36.908 38.000 -0.839 0.000 1.079 95 I HN 0.265 nan 8.210 nan 0.000 0.425 96 T N 0.382 114.861 114.554 -0.125 0.000 2.759 96 T HA -0.149 4.201 4.350 0.001 0.000 0.269 96 T C 1.841 176.489 174.700 -0.087 0.000 1.042 96 T CA 1.542 63.606 62.100 -0.059 0.000 1.140 96 T CB -0.144 68.731 68.868 0.011 0.000 0.864 96 T HN 0.359 nan 8.240 nan 0.000 0.455 97 E N 0.568 120.706 120.200 -0.103 0.000 2.170 97 E HA 0.094 4.444 4.350 0.001 0.000 0.191 97 E C 2.124 178.665 176.600 -0.100 0.000 0.981 97 E CA 0.272 56.622 56.400 -0.083 0.000 0.830 97 E CB -0.260 29.400 29.700 -0.068 0.000 0.775 97 E HN 0.449 nan 8.360 nan 0.000 0.470 98 L N 0.339 121.472 121.223 -0.149 0.000 2.275 98 L HA -0.045 4.296 4.340 0.001 0.000 0.215 98 L C 1.723 178.512 176.870 -0.136 0.000 1.119 98 L CA 0.775 55.529 54.840 -0.143 0.000 0.790 98 L CB 0.030 41.971 42.059 -0.197 0.000 0.919 98 L HN 0.040 nan 8.230 nan 0.000 0.443 99 L N -0.433 120.704 121.223 -0.144 0.000 2.592 99 L HA 0.143 4.484 4.340 0.001 0.000 0.227 99 L C 1.077 177.898 176.870 -0.081 0.000 1.127 99 L CA -0.189 54.579 54.840 -0.120 0.000 0.884 99 L CB -0.247 41.733 42.059 -0.132 0.000 1.065 99 L HN 0.089 nan 8.230 nan 0.000 0.457 100 R N 0.480 120.939 120.500 -0.068 0.000 2.421 100 R HA 0.261 4.601 4.340 0.001 0.000 0.305 100 R C 0.995 177.270 176.300 -0.042 0.000 1.039 100 R CA 1.025 57.096 56.100 -0.047 0.000 1.003 100 R CB 0.423 30.699 30.300 -0.039 0.000 0.959 100 R HN 0.311 nan 8.270 nan 0.000 0.427 101 G N 1.680 110.459 108.800 -0.035 0.000 2.397 101 G HA2 -0.370 3.591 3.960 0.001 0.000 0.211 101 G HA3 -0.370 3.591 3.960 0.001 0.000 0.211 101 G C 0.928 175.808 174.900 -0.035 0.000 1.077 101 G CA 0.350 45.431 45.100 -0.032 0.000 0.649 101 G HN 0.641 nan 8.290 nan 0.000 0.511 102 T N 0.192 114.719 114.554 -0.045 0.000 3.007 102 T HA 0.332 4.682 4.350 0.001 0.000 0.270 102 T C 2.438 177.114 174.700 -0.040 0.000 1.107 102 T CA 1.719 63.790 62.100 -0.049 0.000 1.118 102 T CB -0.602 68.224 68.868 -0.069 0.000 0.889 102 T HN 2.373 nan 8.240 nan 0.000 0.506 103 G N 1.497 110.276 108.800 -0.036 0.000 2.366 103 G HA2 0.043 4.003 3.960 0.001 0.000 0.299 103 G HA3 0.043 4.003 3.960 0.001 0.000 0.299 103 G C 0.103 174.985 174.900 -0.030 0.000 1.020 103 G CA 0.097 45.180 45.100 -0.028 0.000 1.026 103 G HN 1.232 nan 8.290 nan 0.000 0.512 104 A N -0.422 122.372 122.820 -0.043 0.000 2.320 104 A HA 0.957 5.277 4.320 0.001 0.000 0.334 104 A C 0.504 178.062 177.584 -0.044 0.000 1.147 104 A CA 0.465 52.474 52.037 -0.046 0.000 0.820 104 A CB 1.404 20.364 19.000 -0.066 0.000 1.218 104 A HN 1.860 nan 8.150 nan 0.000 0.482 105 S N -0.194 115.485 115.700 -0.035 0.000 2.664 105 S HA 0.790 5.260 4.470 0.001 0.000 0.304 105 S C -0.648 173.921 174.600 -0.052 0.000 1.099 105 S CA -0.589 57.595 58.200 -0.027 0.000 1.003 105 S CB 1.392 64.589 63.200 -0.005 0.000 1.092 105 S HN 1.231 nan 8.310 nan 0.000 0.525 106 V N 0.779 120.665 119.914 -0.046 0.000 2.483 106 V HA 0.514 4.635 4.120 0.001 0.000 0.297 106 V C -1.130 174.911 176.094 -0.087 0.000 1.027 106 V CA -0.784 61.428 62.300 -0.146 0.000 0.855 106 V CB 1.113 32.781 31.823 -0.258 0.000 0.995 106 V HN 0.878 nan 8.190 nan 0.000 0.424 107 D N 2.493 122.813 120.400 -0.134 0.000 2.175 107 D HA 0.590 5.230 4.640 0.001 0.000 0.248 107 D C -0.087 176.098 176.300 -0.193 0.000 1.047 107 D CA -0.158 53.822 54.000 -0.033 0.000 0.883 107 D CB 1.528 42.320 40.800 -0.013 0.000 1.180 107 D HN 0.491 nan 8.370 nan 0.000 0.438 108 F N 0.373 120.336 119.950 0.021 0.000 2.639 108 F HA 0.180 4.707 4.527 0.000 0.000 0.302 108 F C 1.169 176.982 175.800 0.021 0.000 1.097 108 F CA -0.336 57.683 58.000 0.033 0.000 1.294 108 F CB 0.068 39.092 39.000 0.041 0.000 1.027 108 F HN 0.218 nan 8.300 nan 0.000 0.550 109 Q N 0.483 120.352 119.800 0.116 0.000 2.392 109 Q HA 0.415 4.755 4.340 0.001 0.000 0.262 109 Q C 1.019 177.020 176.000 0.000 0.000 1.003 109 Q CA 0.886 56.722 55.803 0.055 0.000 0.888 109 Q CB 0.815 29.564 28.738 0.019 0.000 1.260 109 Q HN 0.512 nan 8.270 nan 0.000 0.435 110 G N 2.610 111.404 108.800 -0.010 0.000 2.562 110 G HA2 -0.305 3.655 3.960 0.001 0.000 0.250 110 G HA3 -0.305 3.655 3.960 0.001 0.000 0.250 110 G C 0.007 174.932 174.900 0.042 0.000 1.269 110 G CA 0.076 45.161 45.100 -0.026 0.000 0.919 110 G HN 0.841 nan 8.290 nan 0.000 0.574 111 N N 1.616 120.350 118.700 0.057 0.000 2.251 111 N HA 0.432 5.173 4.740 0.001 0.000 0.217 111 N C 0.478 176.052 175.510 0.106 0.000 1.124 111 N CA 0.660 53.766 53.050 0.094 0.000 0.843 111 N CB 0.950 39.496 38.487 0.097 0.000 1.024 111 N HN 0.934 nan 8.380 nan 0.000 0.501 112 A N 1.101 123.970 122.820 0.082 0.000 2.354 112 A HA 0.674 4.994 4.320 0.001 0.000 0.321 112 A C -0.092 177.506 177.584 0.023 0.000 1.125 112 A CA -0.782 51.302 52.037 0.078 0.000 0.799 112 A CB 1.091 20.143 19.000 0.087 0.000 1.293 112 A HN 0.272 nan 8.150 nan 0.000 0.452 113 I N 0.019 120.581 120.570 -0.014 0.000 2.365 113 I HA 0.681 4.851 4.170 0.001 0.000 0.291 113 I C 0.105 176.152 176.117 -0.117 0.000 1.004 113 I CA -0.141 61.041 61.300 -0.197 0.000 1.311 113 I CB 1.580 39.388 38.000 -0.321 0.000 1.401 113 I HN 0.613 nan 8.210 nan 0.000 0.491 114 T N 5.166 119.633 114.554 -0.144 0.000 2.888 114 T HA 0.686 5.037 4.350 0.001 0.000 0.284 114 T C -0.324 174.328 174.700 -0.081 0.000 1.017 114 T CA -0.806 61.258 62.100 -0.061 0.000 1.022 114 T CB 1.851 70.702 68.868 -0.028 0.000 1.013 114 T HN 0.512 nan 8.240 nan 0.000 0.465 115 I N 2.907 123.469 120.570 -0.014 0.000 2.466 115 I HA 0.547 4.718 4.170 0.001 0.000 0.289 115 I C 0.152 176.281 176.117 0.019 0.000 1.026 115 I CA -0.612 60.677 61.300 -0.019 0.000 1.078 115 I CB 1.638 39.635 38.000 -0.005 0.000 1.249 115 I HN 1.064 nan 8.210 nan 0.000 0.429 116 S N 4.983 120.682 115.700 -0.002 0.000 2.794 116 S HA 0.833 5.303 4.470 0.001 0.000 0.299 116 S C -0.919 173.680 174.600 -0.002 0.000 1.179 116 S CA -0.657 57.549 58.200 0.010 0.000 0.838 116 S CB 2.534 65.741 63.200 0.012 0.000 1.206 116 S HN 0.280 nan 8.310 nan 0.000 0.523 137 L N 1.332 122.602 121.223 0.079 0.000 2.591 137 L HA 0.339 4.680 4.340 0.001 0.000 0.228 137 L C 1.003 177.889 176.870 0.027 0.000 1.133 137 L CA 1.052 55.920 54.840 0.046 0.000 0.880 137 L CB 0.248 42.337 42.059 0.050 0.000 1.033 137 L HN 0.385 nan 8.230 nan 0.000 0.450 138 G N -0.656 108.166 108.800 0.036 0.000 2.757 138 G HA2 -0.212 3.748 3.960 0.001 0.000 0.638 138 G HA3 -0.212 3.748 3.960 0.001 0.000 0.638 138 G C -0.045 174.876 174.900 0.036 0.000 1.344 138 G CA -0.469 44.648 45.100 0.028 0.000 0.855 138 G HN 0.192 nan 8.290 nan 0.000 0.537 139 T N -0.913 113.661 114.554 0.033 0.000 2.779 139 T HA 0.533 4.883 4.350 0.001 0.000 0.296 139 T C 1.019 175.747 174.700 0.046 0.000 0.938 139 T CA -0.171 61.954 62.100 0.041 0.000 1.119 139 T CB 0.583 69.473 68.868 0.037 0.000 0.891 139 T HN 0.867 nan 8.240 nan 0.000 0.526 140 I N 4.609 125.213 120.570 0.056 0.000 3.015 140 I HA -0.098 4.072 4.170 0.001 0.000 0.309 140 I C 2.106 178.260 176.117 0.062 0.000 1.229 140 I CA 0.547 61.885 61.300 0.064 0.000 1.430 140 I CB 0.458 38.503 38.000 0.074 0.000 1.347 140 I HN 0.969 nan 8.210 nan 0.000 0.544 141 T N 2.234 116.825 114.554 0.062 0.000 2.894 141 T HA -0.092 4.259 4.350 0.001 0.000 0.258 141 T C 0.877 175.622 174.700 0.074 0.000 1.043 141 T CA 0.046 62.185 62.100 0.065 0.000 1.141 141 T CB -0.269 68.635 68.868 0.061 0.000 0.873 141 T HN 0.711 nan 8.240 nan 0.000 0.449 142 E N 2.157 122.402 120.200 0.075 0.000 2.604 142 E HA -0.147 4.203 4.350 0.001 0.000 0.267 142 E C -0.201 176.443 176.600 0.073 0.000 0.970 142 E CA 0.772 57.218 56.400 0.077 0.000 0.956 142 E CB 0.056 29.806 29.700 0.083 0.000 0.939 142 E HN 0.329 nan 8.360 nan 0.000 0.465 143 D N 1.298 121.740 120.400 0.069 0.000 2.235 143 D HA -0.253 4.387 4.640 0.001 0.000 0.173 143 D C 1.197 177.534 176.300 0.060 0.000 1.522 143 D CA 2.042 56.081 54.000 0.064 0.000 1.559 143 D CB -1.672 39.168 40.800 0.067 0.000 1.362 143 D HN 0.576 nan 8.370 nan 0.000 0.511 144 S N 0.383 116.122 115.700 0.064 0.000 2.507 144 S HA 0.155 4.625 4.470 0.001 0.000 0.235 144 S C 1.940 176.577 174.600 0.062 0.000 0.988 144 S CA 2.059 60.295 58.200 0.060 0.000 0.944 144 S CB -0.093 63.144 63.200 0.062 0.000 0.762 144 S HN 1.216 nan 8.310 nan 0.000 0.526 145 G N 0.717 109.562 108.800 0.075 0.000 2.200 145 G HA2 -0.323 3.637 3.960 0.001 0.000 0.267 145 G HA3 -0.323 3.637 3.960 0.001 0.000 0.267 145 G C 0.200 175.163 174.900 0.105 0.000 0.993 145 G CA 0.705 45.855 45.100 0.085 0.000 0.701 145 G HN 0.942 nan 8.290 nan 0.000 0.524 146 S N -1.471 114.302 115.700 0.122 0.000 2.632 146 S HA 0.608 5.078 4.470 0.001 0.000 0.267 146 S C 0.772 175.580 174.600 0.346 0.000 1.276 146 S CA -0.496 57.793 58.200 0.149 0.000 0.998 146 S CB 0.535 63.796 63.200 0.102 0.000 0.953 146 S HN 0.263 nan 8.310 nan 0.000 0.547 147 Y N 1.313 121.644 120.300 0.051 0.000 2.607 147 Y HA 0.374 4.924 4.550 0.000 0.000 0.266 147 Y C 1.015 176.934 175.900 0.032 0.000 1.178 147 Y CA -0.357 57.775 58.100 0.053 0.000 1.226 147 Y CB -0.067 38.435 38.460 0.070 0.000 1.144 147 Y HN 0.486 nan 8.280 nan 0.000 0.528 148 T N 1.569 116.224 114.554 0.169 0.000 2.906 148 T HA 0.501 4.852 4.350 0.001 0.000 0.295 148 T C -2.764 171.976 174.700 0.067 0.000 1.061 148 T CA -1.873 60.284 62.100 0.096 0.000 1.000 148 T CB 1.994 70.909 68.868 0.078 0.000 1.103 148 T HN -0.227 nan 8.240 nan 0.000 0.486 149 P HA 0.390 nan 4.420 nan 0.000 0.278 149 P C 0.474 177.791 177.300 0.029 0.000 1.258 149 P CA -0.307 62.811 63.100 0.030 0.000 0.811 149 P CB 0.581 32.286 31.700 0.008 0.000 1.063 150 G N 0.412 109.228 108.800 0.027 0.000 3.056 150 G HA2 0.252 4.212 3.960 0.001 0.000 0.175 150 G HA3 0.252 4.212 3.960 0.001 0.000 0.175 150 G C -0.098 174.810 174.900 0.012 0.000 1.894 150 G CA 0.426 45.540 45.100 0.023 0.000 0.910 150 G HN 0.698 nan 8.290 nan 0.000 0.462 151 T N -0.960 113.601 114.554 0.012 0.000 2.927 151 T HA 0.645 4.995 4.350 0.001 0.000 0.281 151 T C -0.103 174.594 174.700 -0.005 0.000 0.998 151 T CA -0.546 61.556 62.100 0.003 0.000 1.019 151 T CB 1.522 70.396 68.868 0.009 0.000 1.061 151 T HN 0.831 nan 8.240 nan 0.000 0.518 152 I N -2.204 118.355 120.570 -0.019 0.000 2.752 152 I HA 0.715 4.886 4.170 0.001 0.000 0.295 152 I C -0.175 175.912 176.117 -0.050 0.000 1.219 152 I CA -1.714 59.565 61.300 -0.035 0.000 1.030 152 I CB 2.049 40.016 38.000 -0.054 0.000 1.259 152 I HN 0.758 nan 8.210 nan 0.000 0.423 153 A N 2.770 125.554 122.820 -0.059 0.000 2.713 153 A HA 0.354 4.675 4.320 0.001 0.000 0.296 153 A C 1.065 178.569 177.584 -0.134 0.000 1.255 153 A CA -0.165 51.821 52.037 -0.086 0.000 0.955 153 A CB -0.443 18.517 19.000 -0.067 0.000 1.149 153 A HN 0.840 nan 8.150 nan 0.000 0.538 154 T N -0.001 114.471 114.554 -0.137 0.000 2.812 154 T HA 0.005 4.355 4.350 0.001 0.000 0.264 154 T C 2.333 176.912 174.700 -0.202 0.000 1.042 154 T CA 1.498 63.498 62.100 -0.165 0.000 1.140 154 T CB -0.115 68.661 68.868 -0.152 0.000 0.870 154 T HN 0.599 nan 8.240 nan 0.000 0.445 155 A N 1.916 124.617 122.820 -0.200 0.000 1.834 155 A HA -0.108 4.212 4.320 0.001 0.000 0.216 155 A C 2.470 179.852 177.584 -0.336 0.000 1.203 155 A CA 2.431 54.327 52.037 -0.237 0.000 0.621 155 A CB -1.006 17.854 19.000 -0.233 0.000 0.841 155 A HN 0.582 nan 8.150 nan 0.000 0.446 156 T N -7.055 107.301 114.554 -0.330 0.000 3.043 156 T HA 0.436 4.786 4.350 0.001 0.000 0.272 156 T C 0.752 175.311 174.700 -0.235 0.000 0.990 156 T CA 0.722 62.607 62.100 -0.359 0.000 0.897 156 T CB 0.559 69.225 68.868 -0.337 0.000 1.111 156 T HN 0.456 nan 8.240 nan 0.000 0.529 157 R N -0.700 119.667 120.500 -0.221 0.000 3.653 157 R HA -0.076 4.264 4.340 0.001 0.000 0.485 157 R C -0.526 175.699 176.300 -0.126 0.000 0.840 157 R CA 0.748 56.709 56.100 -0.232 0.000 1.409 157 R CB -2.255 27.848 30.300 -0.328 0.000 2.089 157 R HN 0.532 nan 8.270 nan 0.000 0.482 158 L N 1.640 122.816 121.223 -0.077 0.000 2.319 158 L HA 0.218 4.559 4.340 0.001 0.000 0.280 158 L C 0.488 177.350 176.870 -0.013 0.000 1.099 158 L CA -0.473 54.358 54.840 -0.016 0.000 0.828 158 L CB 1.225 43.317 42.059 0.055 0.000 1.150 158 L HN -0.137 nan 8.230 nan 0.000 0.442 159 V N 6.429 126.343 119.914 -0.000 0.000 2.266 159 V HA 0.045 4.165 4.120 0.001 0.000 0.240 159 V C 0.612 176.713 176.094 0.012 0.000 1.225 159 V CA 0.370 62.672 62.300 0.004 0.000 1.237 159 V CB -0.901 30.932 31.823 0.016 0.000 1.343 159 V HN 0.492 nan 8.190 nan 0.000 0.496 160 L N 3.149 124.377 121.223 0.010 0.000 2.331 160 L HA 0.648 4.988 4.340 0.001 0.000 0.268 160 L C 0.920 177.794 176.870 0.006 0.000 1.015 160 L CA -0.584 54.273 54.840 0.029 0.000 0.807 160 L CB 1.937 44.034 42.059 0.063 0.000 1.293 160 L HN 0.551 nan 8.230 nan 0.000 0.451 161 T N -3.029 111.531 114.554 0.010 0.000 2.824 161 T HA 0.327 4.677 4.350 0.001 0.000 0.277 161 T C -2.045 172.640 174.700 -0.024 0.000 0.975 161 T CA -1.665 60.432 62.100 -0.005 0.000 0.966 161 T CB 1.554 70.421 68.868 -0.003 0.000 1.054 161 T HN 0.289 nan 8.240 nan 0.000 0.533 162 P HA -0.097 nan 4.420 nan 0.000 0.213 162 P C 1.771 179.026 177.300 -0.075 0.000 1.170 162 P CA 1.086 64.150 63.100 -0.060 0.000 0.893 162 P CB -0.141 31.534 31.700 -0.041 0.000 0.784 163 R N 0.942 121.416 120.500 -0.044 0.000 2.140 163 R HA -0.239 4.102 4.340 0.001 0.000 0.250 163 R C 1.831 178.119 176.300 -0.021 0.000 1.150 163 R CA 2.142 58.221 56.100 -0.034 0.000 0.966 163 R CB -0.832 29.451 30.300 -0.029 0.000 0.869 163 R HN 0.211 nan 8.270 nan 0.000 0.445 164 E N -0.153 120.050 120.200 0.005 0.000 2.338 164 E HA -0.042 4.308 4.350 0.001 0.000 0.197 164 E C -0.126 176.516 176.600 0.070 0.000 1.007 164 E CA 0.876 57.317 56.400 0.068 0.000 0.849 164 E CB 0.165 29.914 29.700 0.082 0.000 0.774 164 E HN 0.313 nan 8.360 nan 0.000 0.506 165 T N 3.101 117.620 114.554 -0.058 0.000 2.729 165 T HA 0.105 4.455 4.350 0.001 0.000 0.296 165 T C -2.012 172.526 174.700 -0.271 0.000 0.928 165 T CA -1.326 60.680 62.100 -0.157 0.000 1.045 165 T CB 1.292 70.061 68.868 -0.166 0.000 0.902 165 T HN 0.023 nan 8.240 nan 0.000 0.500 166 P HA 0.130 nan 4.420 nan 0.000 0.253 166 P C -0.098 177.098 177.300 -0.174 0.000 1.508 166 P CA 0.029 63.019 63.100 -0.184 0.000 0.883 166 P CB 0.334 32.086 31.700 0.086 0.000 1.519 167 Q N -0.559 119.075 119.800 -0.277 0.000 2.496 167 Q HA 0.447 4.787 4.340 0.001 0.000 0.286 167 Q C -0.394 175.496 176.000 -0.183 0.000 1.103 167 Q CA -0.808 54.917 55.803 -0.129 0.000 0.813 167 Q CB 1.876 30.552 28.738 -0.103 0.000 1.444 167 Q HN -0.073 nan 8.270 nan 0.000 0.443 168 S N 1.165 116.824 115.700 -0.069 0.000 2.474 168 S HA 0.484 4.954 4.470 0.001 0.000 0.276 168 S C -0.686 173.850 174.600 -0.106 0.000 1.227 168 S CA -0.417 57.746 58.200 -0.061 0.000 1.050 168 S CB 0.274 63.462 63.200 -0.020 0.000 0.939 168 S HN 0.443 nan 8.310 nan 0.000 0.490 169 I N 2.851 123.359 120.570 -0.103 0.000 2.478 169 I HA 0.424 4.594 4.170 0.001 0.000 0.287 169 I C -0.884 175.183 176.117 -0.083 0.000 1.042 169 I CA 0.147 61.382 61.300 -0.108 0.000 1.067 169 I CB 1.840 39.768 38.000 -0.120 0.000 1.233 169 I HN 0.527 nan 8.210 nan 0.000 0.431 170 T N 6.492 120.993 114.554 -0.088 0.000 2.807 170 T HA 0.714 5.064 4.350 0.001 0.000 0.279 170 T C -0.835 173.815 174.700 -0.083 0.000 0.993 170 T CA -0.461 61.597 62.100 -0.071 0.000 0.970 170 T CB 1.533 70.357 68.868 -0.073 0.000 0.950 170 T HN 0.315 nan 8.240 nan 0.000 0.441 171 V N 3.114 122.989 119.914 -0.065 0.000 2.823 171 V HA 0.559 4.679 4.120 0.001 0.000 0.312 171 V C -0.407 175.643 176.094 -0.073 0.000 1.072 171 V CA -0.901 61.355 62.300 -0.072 0.000 0.937 171 V CB 2.277 34.069 31.823 -0.052 0.000 1.013 171 V HN 0.693 nan 8.190 nan 0.000 0.430 172 V N 2.921 122.780 119.914 -0.092 0.000 2.347 172 V HA 0.436 4.557 4.120 0.001 0.000 0.280 172 V C 0.622 176.666 176.094 -0.082 0.000 1.021 172 V CA -0.394 61.840 62.300 -0.110 0.000 0.847 172 V CB 1.443 33.183 31.823 -0.138 0.000 0.990 172 V HN 1.086 nan 8.190 nan 0.000 0.444 173 T N 2.139 116.650 114.554 -0.072 0.000 2.788 173 T HA 0.305 4.655 4.350 0.001 0.000 0.280 173 T C 1.075 175.769 174.700 -0.011 0.000 0.984 173 T CA -0.453 61.638 62.100 -0.015 0.000 0.972 173 T CB 1.192 70.083 68.868 0.039 0.000 1.039 173 T HN 0.447 nan 8.240 nan 0.000 0.530 174 R N 0.191 120.711 120.500 0.033 0.000 2.120 174 R HA -0.062 4.278 4.340 0.001 0.000 0.234 174 R C 2.381 178.707 176.300 0.043 0.000 1.123 174 R CA 1.562 57.688 56.100 0.043 0.000 0.975 174 R CB -1.011 29.328 30.300 0.066 0.000 0.866 174 R HN 0.749 nan 8.270 nan 0.000 0.446 175 Q N 0.034 119.882 119.800 0.080 0.000 2.083 175 Q HA -0.053 4.287 4.340 0.001 0.000 0.198 175 Q C 1.621 177.695 176.000 0.122 0.000 0.969 175 Q CA 2.090 57.982 55.803 0.149 0.000 0.838 175 Q CB -0.388 28.520 28.738 0.282 0.000 0.900 175 Q HN 0.568 nan 8.270 nan 0.000 0.436 176 N N -1.144 117.498 118.700 -0.096 0.000 2.013 176 N HA -0.222 4.519 4.740 0.001 0.000 0.195 176 N C 1.807 177.273 175.510 -0.073 0.000 1.051 176 N CA 1.532 54.372 53.050 -0.351 0.000 0.851 176 N CB -0.143 37.983 38.487 -0.601 0.000 1.044 176 N HN 0.224 nan 8.380 nan 0.000 0.422 177 M N 0.732 120.275 119.600 -0.096 0.000 2.240 177 M HA -0.306 4.175 4.480 0.001 0.000 0.250 177 M C 1.330 177.616 176.300 -0.024 0.000 1.075 177 M CA 2.116 57.377 55.300 -0.064 0.000 1.072 177 M CB -0.302 32.276 32.600 -0.037 0.000 1.305 177 M HN 0.284 nan 8.290 nan 0.000 0.414 178 D N 0.052 120.449 120.400 -0.006 0.000 2.081 178 D HA -0.156 4.484 4.640 0.001 0.000 0.194 178 D C 1.590 177.871 176.300 -0.032 0.000 0.986 178 D CA 1.646 55.636 54.000 -0.018 0.000 0.837 178 D CB -0.743 40.047 40.800 -0.017 0.000 0.985 178 D HN 0.354 nan 8.370 nan 0.000 0.448 179 D N -0.490 119.908 120.400 -0.003 0.000 2.172 179 D HA -0.176 4.464 4.640 0.001 0.000 0.196 179 D C 1.608 177.679 176.300 -0.382 0.000 0.999 179 D CA 0.903 54.822 54.000 -0.136 0.000 0.856 179 D CB -0.333 40.467 40.800 0.001 0.000 0.934 179 D HN 0.285 nan 8.370 nan 0.000 0.453 180 F N -0.935 118.978 119.950 -0.062 0.000 2.695 180 F HA 0.302 4.829 4.527 0.001 0.000 0.303 180 F C 1.775 177.487 175.800 -0.145 0.000 1.091 180 F CA 0.285 58.219 58.000 -0.110 0.000 1.300 180 F CB 0.608 39.478 39.000 -0.217 0.000 1.071 180 F HN 0.010 nan 8.300 nan 0.000 0.578 181 G N 1.347 110.137 108.800 -0.017 0.000 2.160 181 G HA2 -0.304 3.657 3.960 0.001 0.000 0.251 181 G HA3 -0.304 3.657 3.960 0.001 0.000 0.251 181 G C 0.164 175.038 174.900 -0.044 0.000 1.008 181 G CA -0.259 44.823 45.100 -0.030 0.000 0.724 181 G HN 0.277 nan 8.290 nan 0.000 0.514 182 L N 0.175 121.343 121.223 -0.092 0.000 2.600 182 L HA 0.173 4.513 4.340 0.001 0.000 0.278 182 L C 1.514 178.353 176.870 -0.052 0.000 1.139 182 L CA 0.102 54.862 54.840 -0.133 0.000 0.933 182 L CB -0.199 41.721 42.059 -0.232 0.000 1.266 182 L HN 0.270 nan 8.230 nan 0.000 0.471 183 N N 1.587 120.276 118.700 -0.018 0.000 2.336 183 N HA -0.056 4.684 4.740 0.001 0.000 0.177 183 N C 0.348 175.879 175.510 0.035 0.000 1.018 183 N CA 0.395 53.455 53.050 0.017 0.000 0.878 183 N CB 0.234 38.739 38.487 0.029 0.000 0.997 183 N HN 0.678 nan 8.380 nan 0.000 0.433 184 N N -0.276 118.441 118.700 0.029 0.000 2.966 184 N HA 0.101 4.841 4.740 0.001 0.000 0.314 184 N C 0.431 175.956 175.510 0.026 0.000 1.397 184 N CA -0.684 52.393 53.050 0.046 0.000 0.776 184 N CB 0.446 38.964 38.487 0.051 0.000 1.576 184 N HN -0.204 nan 8.380 nan 0.000 0.592 185 I N 0.488 121.086 120.570 0.047 0.000 2.286 185 I HA -0.168 4.003 4.170 0.001 0.000 0.248 185 I C 0.993 177.109 176.117 -0.002 0.000 1.115 185 I CA 1.506 62.824 61.300 0.030 0.000 1.392 185 I CB -0.735 37.325 38.000 0.100 0.000 1.065 185 I HN 0.468 nan 8.210 nan 0.000 0.418 186 D N 0.900 121.351 120.400 0.085 0.000 2.106 186 D HA -0.218 4.422 4.640 0.001 0.000 0.191 186 D C 1.809 178.101 176.300 -0.013 0.000 0.997 186 D CA 1.785 55.835 54.000 0.083 0.000 0.834 186 D CB -0.434 40.451 40.800 0.142 0.000 0.956 186 D HN 0.371 nan 8.370 nan 0.000 0.448 187 D N 0.140 120.536 120.400 -0.007 0.000 2.103 187 D HA -0.136 4.504 4.640 0.001 0.000 0.190 187 D C 2.353 178.569 176.300 -0.139 0.000 0.997 187 D CA 0.678 54.646 54.000 -0.054 0.000 0.833 187 D CB -0.652 40.113 40.800 -0.058 0.000 0.961 187 D HN 0.059 nan 8.370 nan 0.000 0.447 188 V N 0.993 120.819 119.914 -0.147 0.000 2.252 188 V HA -0.304 3.816 4.120 0.001 0.000 0.249 188 V C 2.505 178.492 176.094 -0.179 0.000 1.056 188 V CA 1.580 63.773 62.300 -0.179 0.000 1.022 188 V CB -0.400 31.332 31.823 -0.151 0.000 0.641 188 V HN 0.216 nan 8.190 nan 0.000 0.445 189 M N -0.672 118.781 119.600 -0.245 0.000 2.065 189 M HA -0.178 4.303 4.480 0.001 0.000 0.259 189 M C 2.290 178.477 176.300 -0.189 0.000 1.069 189 M CA 1.707 56.801 55.300 -0.343 0.000 1.110 189 M CB -1.433 30.692 32.600 -0.790 0.000 1.328 189 M HN 0.256 nan 8.290 nan 0.000 0.405 190 R N -0.898 119.547 120.500 -0.092 0.000 2.154 190 R HA -0.199 4.141 4.340 0.001 0.000 0.248 190 R C 1.244 177.579 176.300 0.057 0.000 1.155 190 R CA 1.287 57.401 56.100 0.023 0.000 0.979 190 R CB -0.444 29.926 30.300 0.117 0.000 0.869 190 R HN 0.478 nan 8.270 nan 0.000 0.452 191 H N -1.089 117.870 119.070 -0.186 0.000 2.555 191 H HA 0.140 4.696 4.556 0.001 0.000 0.283 191 H C -0.450 174.781 175.328 -0.163 0.000 1.037 191 H CA 0.298 56.197 56.048 -0.250 0.000 1.169 191 H CB 0.402 29.849 29.762 -0.524 0.000 1.375 191 H HN -0.072 nan 8.280 nan 0.000 0.582 192 T N 2.625 117.147 114.554 -0.053 0.000 2.758 192 T HA 0.218 4.569 4.350 0.001 0.000 0.285 192 T C -2.554 172.105 174.700 -0.069 0.000 0.981 192 T CA -1.787 60.267 62.100 -0.077 0.000 0.965 192 T CB 1.558 70.347 68.868 -0.130 0.000 0.927 192 T HN -0.021 nan 8.240 nan 0.000 0.448 193 P HA 0.186 nan 4.420 nan 0.000 0.258 193 P C 0.947 178.202 177.300 -0.074 0.000 1.187 193 P CA 0.973 64.046 63.100 -0.045 0.000 0.767 193 P CB -0.014 31.680 31.700 -0.011 0.000 0.770 194 G N 2.781 111.519 108.800 -0.103 0.000 2.138 194 G HA2 -0.164 3.796 3.960 0.001 0.000 0.193 194 G HA3 -0.164 3.796 3.960 0.001 0.000 0.193 194 G C -0.130 174.699 174.900 -0.118 0.000 0.998 194 G CA -0.568 44.463 45.100 -0.115 0.000 0.668 194 G HN 0.484 nan 8.290 nan 0.000 0.516 195 I N 0.903 121.403 120.570 -0.118 0.000 2.582 195 I HA 0.474 4.645 4.170 0.001 0.000 0.292 195 I C -0.379 175.688 176.117 -0.083 0.000 1.066 195 I CA -0.705 60.537 61.300 -0.097 0.000 1.053 195 I CB 2.467 40.390 38.000 -0.129 0.000 1.241 195 I HN 0.014 nan 8.210 nan 0.000 0.421 196 T N 5.028 119.577 114.554 -0.009 0.000 2.792 196 T HA 0.428 4.778 4.350 0.001 0.000 0.280 196 T C -0.380 174.372 174.700 0.087 0.000 0.990 196 T CA -0.438 61.674 62.100 0.019 0.000 0.960 196 T CB 2.027 70.932 68.868 0.061 0.000 0.939 196 T HN 0.168 nan 8.240 nan 0.000 0.439 197 V N 4.349 124.302 119.914 0.066 0.000 2.333 197 V HA 0.480 4.600 4.120 0.001 0.000 0.274 197 V C 0.420 176.568 176.094 0.091 0.000 1.028 197 V CA -0.644 61.728 62.300 0.121 0.000 0.851 197 V CB 0.975 32.876 31.823 0.130 0.000 1.000 197 V HN 1.071 nan 8.190 nan 0.000 0.456 198 S N 4.117 119.826 115.700 0.016 0.000 2.681 198 S HA 0.914 5.384 4.470 0.001 0.000 0.299 198 S C -0.152 174.372 174.600 -0.126 0.000 1.113 198 S CA -0.559 57.672 58.200 0.052 0.000 1.013 198 S CB 2.122 65.429 63.200 0.179 0.000 1.076 198 S HN 1.040 nan 8.310 nan 0.000 0.534 199 A N 0.556 123.314 122.820 -0.104 0.000 2.324 199 A HA 0.718 5.039 4.320 0.001 0.000 0.330 199 A C -0.478 176.827 177.584 -0.465 0.000 1.165 199 A CA -0.748 51.152 52.037 -0.230 0.000 0.813 199 A CB 0.212 19.158 19.000 -0.089 0.000 1.197 199 A HN 0.854 nan 8.150 nan 0.000 0.484 200 Y N 1.077 121.156 120.300 -0.367 0.000 2.222 200 Y HA 0.233 4.783 4.550 0.000 0.000 0.290 200 Y C 0.568 176.273 175.900 -0.324 0.000 1.123 200 Y CA 1.193 58.913 58.100 -0.633 0.000 1.120 200 Y CB 0.145 38.189 38.460 -0.694 0.000 1.060 200 Y HN 0.840 nan 8.280 nan 0.000 0.508 201 D N -4.575 115.814 120.400 -0.019 0.000 2.738 201 D HA 0.115 4.755 4.640 0.001 0.000 0.308 201 D C 0.573 176.852 176.300 -0.035 0.000 1.311 201 D CA 0.031 54.046 54.000 0.025 0.000 0.799 201 D CB 0.448 41.361 40.800 0.187 0.000 1.332 201 D HN 0.003 nan 8.370 nan 0.000 0.441 202 T N -2.950 111.578 114.554 -0.044 0.000 2.760 202 T HA -0.207 4.144 4.350 0.001 0.000 0.269 202 T C 0.413 175.048 174.700 -0.108 0.000 1.047 202 T CA 1.650 63.645 62.100 -0.176 0.000 1.139 202 T CB -0.469 68.199 68.868 -0.335 0.000 0.855 202 T HN 0.537 nan 8.240 nan 0.000 0.471 203 D N 1.297 121.655 120.400 -0.069 0.000 2.670 203 D HA 0.270 4.911 4.640 0.001 0.000 0.255 203 D C 0.072 176.175 176.300 -0.329 0.000 1.286 203 D CA -0.214 53.706 54.000 -0.133 0.000 0.830 203 D CB 0.641 41.409 40.800 -0.053 0.000 1.065 203 D HN 0.532 nan 8.370 nan 0.000 0.486 204 R N 0.246 120.593 120.500 -0.255 0.000 2.643 204 R HA 0.497 4.837 4.340 0.001 0.000 0.269 204 R C -1.083 175.158 176.300 -0.099 0.000 1.037 204 R CA -0.731 55.216 56.100 -0.255 0.000 0.894 204 R CB 1.560 31.628 30.300 -0.387 0.000 1.238 204 R HN -0.140 nan 8.270 nan 0.000 0.459 205 N N 0.195 118.822 118.700 -0.120 0.000 2.647 205 N HA 0.314 5.054 4.740 0.001 0.000 0.266 205 N C -1.741 173.535 175.510 -0.390 0.000 1.373 205 N CA -1.047 51.874 53.050 -0.215 0.000 0.807 205 N CB 1.484 39.919 38.487 -0.087 0.000 1.513 205 N HN 0.532 nan 8.380 nan 0.000 0.505 206 N N -0.244 118.145 118.700 -0.518 0.000 2.321 206 N HA 0.431 5.171 4.740 0.001 0.000 0.299 206 N C -1.899 173.402 175.510 -0.349 0.000 1.048 206 N CA -0.445 52.264 53.050 -0.569 0.000 0.836 206 N CB 0.708 38.698 38.487 -0.827 0.000 1.269 206 N HN 0.362 nan 8.380 nan 0.000 0.486 207 Y N 2.391 122.533 120.300 -0.262 0.000 2.328 207 Y HA 0.386 4.936 4.550 0.001 0.000 0.336 207 Y C -0.915 174.844 175.900 -0.236 0.000 0.960 207 Y CA -0.901 57.069 58.100 -0.217 0.000 1.134 207 Y CB 0.405 38.796 38.460 -0.115 0.000 1.166 207 Y HN 0.403 nan 8.280 nan 0.000 0.464 208 Y N 1.471 121.805 120.300 0.056 0.000 2.323 208 Y HA 0.701 5.252 4.550 0.001 0.000 0.331 208 Y C 0.141 176.010 175.900 -0.052 0.000 1.092 208 Y CA -1.223 56.867 58.100 -0.016 0.000 1.150 208 Y CB 1.623 40.038 38.460 -0.075 0.000 1.200 208 Y HN 0.672 nan 8.280 nan 0.000 0.472 209 A N 3.166 126.066 122.820 0.134 0.000 2.359 209 A HA 0.694 5.014 4.320 0.001 0.000 0.303 209 A C -0.076 177.526 177.584 0.029 0.000 1.066 209 A CA -1.101 50.944 52.037 0.014 0.000 0.730 209 A CB 0.659 19.621 19.000 -0.064 0.000 1.211 209 A HN 0.940 nan 8.150 nan 0.000 0.439 210 R N 1.407 121.875 120.500 -0.053 0.000 3.525 210 R HA -0.223 4.118 4.340 0.001 0.000 0.276 210 R C 1.015 177.287 176.300 -0.046 0.000 1.116 210 R CA 1.138 57.221 56.100 -0.028 0.000 0.745 210 R CB -2.042 28.207 30.300 -0.084 0.000 1.185 210 R HN 2.506 nan 8.270 nan 0.000 0.454 211 G N -1.408 107.260 108.800 -0.219 0.000 2.141 211 G HA2 -0.307 3.653 3.960 0.001 0.000 0.242 211 G HA3 -0.307 3.653 3.960 0.001 0.000 0.242 211 G C -0.197 174.272 174.900 -0.718 0.000 0.982 211 G CA 0.157 44.962 45.100 -0.493 0.000 0.662 211 G HN 0.278 nan 8.290 nan 0.000 0.527 212 F N 1.363 121.344 119.950 0.052 0.000 2.518 212 F HA 0.624 5.152 4.527 0.000 0.000 0.323 212 F C 0.681 176.568 175.800 0.147 0.000 1.129 212 F CA -0.947 57.104 58.000 0.085 0.000 0.920 212 F CB 2.150 41.145 39.000 -0.008 0.000 1.160 212 F HN -0.014 nan 8.300 nan 0.000 0.440 213 S N 4.128 120.003 115.700 0.291 0.000 2.515 213 S HA 0.257 4.727 4.470 0.001 0.000 0.285 213 S C 0.235 174.873 174.600 0.062 0.000 1.265 213 S CA -0.310 57.934 58.200 0.073 0.000 1.079 213 S CB -0.206 63.011 63.200 0.029 0.000 0.877 213 S HN 0.356 nan 8.310 nan 0.000 0.493 214 I N 3.803 124.372 120.570 -0.002 0.000 2.517 214 I HA 0.073 4.243 4.170 0.001 0.000 0.285 214 I C 0.914 176.964 176.117 -0.111 0.000 1.106 214 I CA -0.014 61.236 61.300 -0.083 0.000 1.402 214 I CB 0.307 38.224 38.000 -0.137 0.000 1.399 214 I HN 0.525 nan 8.210 nan 0.000 0.535 215 N N 5.344 123.978 118.700 -0.110 0.000 2.351 215 N HA 0.126 4.867 4.740 0.001 0.000 0.254 215 N C -0.909 174.555 175.510 -0.076 0.000 1.241 215 N CA -0.116 52.909 53.050 -0.042 0.000 0.883 215 N CB 0.276 38.762 38.487 -0.002 0.000 1.202 215 N HN 0.431 nan 8.380 nan 0.000 0.512 216 N N 0.801 119.350 118.700 -0.252 0.000 2.696 216 N HA 0.198 4.939 4.740 0.001 0.000 0.246 216 N C -1.174 174.088 175.510 -0.413 0.000 1.057 216 N CA -0.214 52.690 53.050 -0.245 0.000 0.867 216 N CB 0.350 38.683 38.487 -0.257 0.000 1.141 216 N HN 0.048 nan 8.380 nan 0.000 0.517 217 F N 0.583 120.447 119.950 -0.143 0.000 2.377 217 F HA 0.390 4.917 4.527 0.000 0.000 0.328 217 F C 0.974 176.570 175.800 -0.342 0.000 1.094 217 F CA -0.399 57.446 58.000 -0.259 0.000 1.093 217 F CB 1.371 40.237 39.000 -0.224 0.000 1.214 217 F HN 0.022 nan 8.300 nan 0.000 0.518 218 Q N 1.337 120.905 119.800 -0.388 0.000 2.305 218 Q HA 0.352 4.693 4.340 0.001 0.000 0.271 218 Q C -1.889 173.702 176.000 -0.681 0.000 1.046 218 Q CA -0.931 54.648 55.803 -0.373 0.000 0.798 218 Q CB 2.512 31.098 28.738 -0.254 0.000 1.286 218 Q HN 0.565 nan 8.270 nan 0.000 0.435 219 Y N 1.430 121.715 120.300 -0.026 0.000 2.369 219 Y HA 0.158 4.708 4.550 0.000 0.000 0.337 219 Y C -0.169 175.698 175.900 -0.056 0.000 0.961 219 Y CA -0.786 57.295 58.100 -0.031 0.000 1.186 219 Y CB 1.030 39.491 38.460 0.001 0.000 1.139 219 Y HN 0.665 nan 8.280 nan 0.000 0.494 220 D N 3.068 123.482 120.400 0.023 0.000 2.689 220 D HA -0.191 4.450 4.640 0.001 0.000 0.237 220 D C 1.312 177.602 176.300 -0.017 0.000 1.148 220 D CA 1.895 55.893 54.000 -0.004 0.000 0.656 220 D CB -0.968 39.798 40.800 -0.057 0.000 1.050 220 D HN 1.067 nan 8.370 nan 0.000 0.426 221 G N -1.202 107.569 108.800 -0.049 0.000 2.267 221 G HA2 -0.319 3.641 3.960 0.001 0.000 0.257 221 G HA3 -0.319 3.641 3.960 0.001 0.000 0.257 221 G C 0.376 175.251 174.900 -0.043 0.000 0.998 221 G CA 0.261 45.325 45.100 -0.061 0.000 0.620 221 G HN 0.481 nan 8.290 nan 0.000 0.529 222 I N 3.312 123.884 120.570 0.004 0.000 2.337 222 I HA 0.299 4.470 4.170 0.001 0.000 0.291 222 I C -1.940 174.208 176.117 0.052 0.000 1.046 222 I CA -3.039 58.286 61.300 0.041 0.000 1.324 222 I CB 0.499 38.546 38.000 0.078 0.000 1.409 222 I HN -0.052 nan 8.210 nan 0.000 0.494 223 P HA 0.045 nan 4.420 nan 0.000 0.271 223 P C 0.117 177.475 177.300 0.097 0.000 1.220 223 P CA -0.059 63.053 63.100 0.019 0.000 0.768 223 P CB 0.752 32.434 31.700 -0.030 0.000 0.848 224 S N 2.016 117.813 115.700 0.161 0.000 2.579 224 S HA 0.164 4.634 4.470 0.001 0.000 0.275 224 S C 1.225 175.887 174.600 0.103 0.000 1.345 224 S CA 0.379 58.687 58.200 0.180 0.000 1.031 224 S CB -0.163 63.196 63.200 0.264 0.000 0.892 224 S HN 0.617 nan 8.310 nan 0.000 0.529 225 T N 0.823 115.420 114.554 0.072 0.000 3.040 225 T HA 0.464 4.814 4.350 0.001 0.000 0.266 225 T C 0.310 175.020 174.700 0.017 0.000 1.005 225 T CA 0.163 62.298 62.100 0.059 0.000 0.906 225 T CB -0.010 68.900 68.868 0.070 0.000 1.082 225 T HN 0.739 nan 8.240 nan 0.000 0.531 226 A N 1.741 124.549 122.820 -0.020 0.000 2.410 226 A HA 0.602 4.922 4.320 0.001 0.000 0.292 226 A C 1.000 178.556 177.584 -0.047 0.000 1.232 226 A CA -0.636 51.345 52.037 -0.094 0.000 0.893 226 A CB -0.041 18.880 19.000 -0.132 0.000 1.131 226 A HN 0.522 nan 8.150 nan 0.000 0.530 227 R N 1.501 121.971 120.500 -0.050 0.000 2.541 227 R HA 0.123 4.463 4.340 0.001 0.000 0.332 227 R C -0.181 176.114 176.300 -0.007 0.000 0.951 227 R CA -0.235 55.869 56.100 0.007 0.000 1.136 227 R CB 0.513 30.832 30.300 0.032 0.000 1.449 227 R HN 0.639 nan 8.270 nan 0.000 0.531 228 N N 1.423 120.089 118.700 -0.057 0.000 2.518 228 N HA 0.050 4.791 4.740 0.001 0.000 0.254 228 N C 0.893 176.387 175.510 -0.026 0.000 0.979 228 N CA -0.088 52.956 53.050 -0.010 0.000 0.930 228 N CB 2.098 40.583 38.487 -0.004 0.000 1.152 228 N HN -0.068 nan 8.380 nan 0.000 0.505 229 V N 2.021 121.898 119.914 -0.061 0.000 3.041 229 V HA 0.189 4.309 4.120 0.001 0.000 0.260 229 V C 1.953 177.913 176.094 -0.222 0.000 1.105 229 V CA 1.563 63.752 62.300 -0.184 0.000 1.125 229 V CB -0.772 30.875 31.823 -0.292 0.000 0.730 229 V HN 0.509 nan 8.190 nan 0.000 0.479 230 G N -0.398 108.296 108.800 -0.177 0.000 2.479 230 G HA2 -0.189 3.771 3.960 0.001 0.000 0.220 230 G HA3 -0.189 3.771 3.960 0.001 0.000 0.220 230 G C 0.695 175.253 174.900 -0.569 0.000 1.115 230 G CA 0.817 45.736 45.100 -0.301 0.000 0.757 230 G HN 0.702 nan 8.290 nan 0.000 0.560 231 Y N 0.845 121.051 120.300 -0.156 0.000 2.602 231 Y HA 0.470 5.020 4.550 0.000 0.000 0.373 231 Y C 0.765 176.515 175.900 -0.249 0.000 0.960 231 Y CA -1.063 56.784 58.100 -0.421 0.000 1.281 231 Y CB 0.152 38.271 38.460 -0.568 0.000 1.308 231 Y HN -0.108 nan 8.280 nan 0.000 0.595 232 S N 1.944 117.654 115.700 0.017 0.000 2.784 232 S HA 0.179 4.650 4.470 0.001 0.000 0.322 232 S C 0.876 175.479 174.600 0.006 0.000 1.234 232 S CA 0.567 58.654 58.200 -0.188 0.000 1.064 232 S CB 0.168 62.929 63.200 -0.732 0.000 0.787 232 S HN 0.645 nan 8.310 nan 0.000 0.506 233 A N 3.076 125.856 122.820 -0.066 0.000 2.674 233 A HA 0.612 4.932 4.320 0.001 0.000 0.286 233 A C 1.197 178.691 177.584 -0.151 0.000 0.980 233 A CA 0.113 52.129 52.037 -0.036 0.000 1.028 233 A CB -0.408 18.579 19.000 -0.022 0.000 1.199 233 A HN 1.399 nan 8.150 nan 0.000 0.499 234 G N 0.183 108.876 108.800 -0.178 0.000 2.278 234 G HA2 -0.248 3.712 3.960 0.001 0.000 0.210 234 G HA3 -0.248 3.712 3.960 0.001 0.000 0.210 234 G C 0.930 175.686 174.900 -0.239 0.000 1.000 234 G CA 0.313 45.302 45.100 -0.185 0.000 0.635 234 G HN 0.345 nan 8.290 nan 0.000 0.495 235 N N 0.691 119.182 118.700 -0.348 0.000 2.364 235 N HA -0.065 4.675 4.740 0.001 0.000 0.183 235 N C 2.227 177.383 175.510 -0.591 0.000 1.022 235 N CA 1.978 54.664 53.050 -0.606 0.000 0.883 235 N CB -0.150 37.741 38.487 -0.993 0.000 0.965 235 N HN 0.694 nan 8.380 nan 0.000 0.438 236 T N -1.730 112.622 114.554 -0.337 0.000 3.086 236 T HA 0.209 4.560 4.350 0.001 0.000 0.250 236 T C 1.282 175.977 174.700 -0.009 0.000 1.074 236 T CA 0.041 62.064 62.100 -0.128 0.000 0.988 236 T CB 0.140 68.880 68.868 -0.214 0.000 0.988 236 T HN 0.069 nan 8.240 nan 0.000 0.530 237 L N 0.992 122.178 121.223 -0.061 0.000 2.966 237 L HA 0.381 4.721 4.340 0.001 0.000 0.262 237 L C 0.417 177.291 176.870 0.006 0.000 1.165 237 L CA -0.439 54.391 54.840 -0.017 0.000 0.978 237 L CB 0.485 42.520 42.059 -0.040 0.000 1.337 237 L HN 0.095 nan 8.230 nan 0.000 0.563 238 S N 1.016 116.725 115.700 0.015 0.000 2.573 238 S HA -0.064 4.407 4.470 0.001 0.000 0.297 238 S C 0.012 174.682 174.600 0.117 0.000 1.280 238 S CA 0.205 58.456 58.200 0.085 0.000 1.061 238 S CB 0.682 63.988 63.200 0.177 0.000 0.812 238 S HN 0.181 nan 8.310 nan 0.000 0.500 239 D N 1.254 121.730 120.400 0.127 0.000 2.210 239 D HA 0.154 4.794 4.640 0.001 0.000 0.249 239 D C 0.518 176.930 176.300 0.187 0.000 1.062 239 D CA -0.583 53.482 54.000 0.108 0.000 0.891 239 D CB 0.756 41.586 40.800 0.050 0.000 1.186 239 D HN 0.262 nan 8.370 nan 0.000 0.432 240 M N 2.712 122.404 119.600 0.154 0.000 2.619 240 M HA 0.026 4.507 4.480 0.001 0.000 0.251 240 M C 1.744 178.132 176.300 0.146 0.000 1.106 240 M CA 0.289 55.709 55.300 0.199 0.000 1.086 240 M CB -1.237 31.427 32.600 0.107 0.000 1.465 240 M HN 0.533 nan 8.290 nan 0.000 0.506 241 A N 0.616 123.486 122.820 0.084 0.000 2.070 241 A HA -0.103 4.218 4.320 0.001 0.000 0.220 241 A C 1.867 179.465 177.584 0.024 0.000 1.159 241 A CA 1.275 53.352 52.037 0.067 0.000 0.656 241 A CB -0.832 18.205 19.000 0.063 0.000 0.800 241 A HN 0.644 nan 8.150 nan 0.000 0.453 242 I N -5.576 114.908 120.570 -0.143 0.000 3.956 242 I HA 0.380 4.550 4.170 0.001 0.000 0.333 242 I C -0.389 175.452 176.117 -0.459 0.000 1.302 242 I CA -0.577 60.518 61.300 -0.343 0.000 1.122 242 I CB 0.114 37.678 38.000 -0.727 0.000 1.013 242 I HN 0.075 nan 8.210 nan 0.000 0.405 243 Y N 0.454 120.776 120.300 0.036 0.000 2.524 243 Y HA 0.357 4.907 4.550 0.001 0.000 0.344 243 Y C 0.656 176.584 175.900 0.047 0.000 1.012 243 Y CA -1.032 57.085 58.100 0.029 0.000 1.068 243 Y CB 1.664 40.132 38.460 0.013 0.000 1.249 243 Y HN -0.105 nan 8.280 nan 0.000 0.468 244 D N 0.417 120.955 120.400 0.230 0.000 2.301 244 D HA 0.109 4.749 4.640 0.001 0.000 0.206 244 D C 0.035 176.394 176.300 0.100 0.000 0.979 244 D CA 0.472 54.558 54.000 0.143 0.000 0.874 244 D CB 0.604 41.478 40.800 0.125 0.000 0.968 244 D HN 0.594 nan 8.370 nan 0.000 0.510 245 R N -1.744 118.807 120.500 0.086 0.000 2.765 245 R HA 0.426 4.767 4.340 0.001 0.000 0.277 245 R C -2.245 174.029 176.300 -0.044 0.000 1.028 245 R CA -0.925 55.184 56.100 0.015 0.000 0.860 245 R CB 0.719 31.025 30.300 0.009 0.000 1.270 245 R HN -0.147 nan 8.270 nan 0.000 0.484 246 V N 1.360 121.221 119.914 -0.089 0.000 2.448 246 V HA 0.383 4.503 4.120 0.001 0.000 0.295 246 V C -0.517 175.494 176.094 -0.137 0.000 1.025 246 V CA -0.657 61.554 62.300 -0.148 0.000 0.859 246 V CB 1.687 33.408 31.823 -0.171 0.000 0.988 246 V HN 0.713 nan 8.190 nan 0.000 0.431 247 E N 3.189 123.296 120.200 -0.155 0.000 2.133 247 E HA 0.531 4.881 4.350 0.001 0.000 0.274 247 E C -1.184 175.311 176.600 -0.175 0.000 0.930 247 E CA -0.447 55.866 56.400 -0.144 0.000 0.770 247 E CB 2.165 31.785 29.700 -0.132 0.000 1.104 247 E HN 0.467 nan 8.360 nan 0.000 0.403 248 V N 4.611 124.426 119.914 -0.165 0.000 2.370 248 V HA 0.282 4.403 4.120 0.001 0.000 0.283 248 V C -0.527 175.464 176.094 -0.172 0.000 1.023 248 V CA -0.790 61.399 62.300 -0.185 0.000 0.857 248 V CB 1.116 32.830 31.823 -0.181 0.000 0.985 248 V HN 0.488 nan 8.190 nan 0.000 0.443 249 L N 6.549 127.658 121.223 -0.189 0.000 2.307 249 L HA 0.632 4.972 4.340 0.001 0.000 0.284 249 L C -0.239 176.516 176.870 -0.192 0.000 1.023 249 L CA -0.011 54.722 54.840 -0.179 0.000 0.810 249 L CB 1.313 43.262 42.059 -0.183 0.000 1.231 249 L HN 0.571 nan 8.230 nan 0.000 0.423 250 K N 4.040 124.327 120.400 -0.187 0.000 2.259 250 K HA 0.851 5.171 4.320 0.001 0.000 0.252 250 K C 0.004 176.457 176.600 -0.244 0.000 0.936 250 K CA -0.332 55.822 56.287 -0.222 0.000 0.810 250 K CB 1.949 34.304 32.500 -0.241 0.000 1.143 250 K HN 0.873 nan 8.250 nan 0.000 0.427 251 G N 1.386 110.024 108.800 -0.270 0.000 2.846 251 G HA2 -0.086 3.874 3.960 0.001 0.000 0.225 251 G HA3 -0.086 3.874 3.960 0.001 0.000 0.225 251 G C -1.315 173.432 174.900 -0.256 0.000 1.285 251 G CA -0.303 44.641 45.100 -0.261 0.000 1.055 251 G HN 0.810 nan 8.290 nan 0.000 0.579 252 A N 0.251 122.919 122.820 -0.253 0.000 2.285 252 A HA 0.779 5.099 4.320 0.001 0.000 0.310 252 A C 0.749 178.192 177.584 -0.235 0.000 1.266 252 A CA 1.124 52.998 52.037 -0.273 0.000 0.832 252 A CB 1.088 19.903 19.000 -0.308 0.000 1.163 252 A HN 2.189 nan 8.150 nan 0.000 0.499 253 T N -0.074 114.337 114.554 -0.238 0.000 3.092 253 T HA 0.206 4.556 4.350 0.001 0.000 0.258 253 T C 1.599 176.160 174.700 -0.230 0.000 1.031 253 T CA 1.028 62.998 62.100 -0.215 0.000 0.925 253 T CB -0.075 68.657 68.868 -0.227 0.000 1.036 253 T HN 0.913 nan 8.240 nan 0.000 0.544 254 G N 2.364 111.014 108.800 -0.249 0.000 2.661 254 G HA2 -0.297 3.663 3.960 0.001 0.000 0.224 254 G HA3 -0.297 3.663 3.960 0.001 0.000 0.224 254 G C 1.257 176.011 174.900 -0.244 0.000 1.114 254 G CA 1.412 46.352 45.100 -0.267 0.000 0.751 254 G HN 0.542 nan 8.290 nan 0.000 0.609 255 L N 0.476 121.579 121.223 -0.199 0.000 1.957 255 L HA -0.119 4.221 4.340 0.001 0.000 0.228 255 L C 2.550 179.209 176.870 -0.352 0.000 1.086 255 L CA 2.042 56.748 54.840 -0.223 0.000 0.796 255 L CB -0.569 41.355 42.059 -0.225 0.000 0.900 255 L HN 0.279 nan 8.230 nan 0.000 0.439 256 L N -1.764 119.220 121.223 -0.399 0.000 2.591 256 L HA 0.047 4.387 4.340 0.001 0.000 0.228 256 L C 1.831 178.480 176.870 -0.369 0.000 1.133 256 L CA 0.426 54.966 54.840 -0.501 0.000 0.880 256 L CB -0.674 41.099 42.059 -0.475 0.000 1.033 256 L HN 0.279 nan 8.230 nan 0.000 0.450 257 T N -0.503 113.871 114.554 -0.300 0.000 3.031 257 T HA 0.273 4.623 4.350 0.001 0.000 0.254 257 T C 1.152 175.708 174.700 -0.240 0.000 1.060 257 T CA 0.816 62.764 62.100 -0.254 0.000 1.135 257 T CB 0.232 68.949 68.868 -0.252 0.000 0.896 257 T HN 0.590 nan 8.240 nan 0.000 0.472 258 G N 1.389 110.029 108.800 -0.268 0.000 2.645 258 G HA2 0.038 3.998 3.960 0.001 0.000 0.239 258 G HA3 0.038 3.998 3.960 0.001 0.000 0.239 258 G C 0.148 174.781 174.900 -0.445 0.000 1.331 258 G CA -0.574 44.362 45.100 -0.272 0.000 0.890 258 G HN 0.884 nan 8.290 nan 0.000 0.572 259 A N -0.303 122.174 122.820 -0.570 0.000 2.609 259 A HA 0.622 4.942 4.320 0.001 0.000 0.232 259 A C 1.518 178.798 177.584 -0.507 0.000 1.041 259 A CA 2.354 53.898 52.037 -0.823 0.000 0.753 259 A CB -0.394 18.099 19.000 -0.845 0.000 0.966 259 A HN 2.839 nan 8.150 nan 0.000 0.510 260 G N 0.047 108.551 108.800 -0.493 0.000 2.333 260 G HA2 0.572 4.532 3.960 0.001 0.000 0.288 260 G HA3 0.572 4.532 3.960 0.001 0.000 0.288 260 G C -0.363 174.368 174.900 -0.283 0.000 1.286 260 G CA 0.142 45.055 45.100 -0.312 0.000 0.865 260 G HN 1.879 nan 8.290 nan 0.000 0.506 261 S N -1.134 114.426 115.700 -0.233 0.000 2.745 261 S HA 0.828 5.298 4.470 0.001 0.000 0.292 261 S C 0.172 174.582 174.600 -0.317 0.000 1.133 261 S CA -0.776 57.286 58.200 -0.230 0.000 0.998 261 S CB 1.377 64.493 63.200 -0.140 0.000 1.087 261 S HN 0.731 nan 8.310 nan 0.000 0.551 262 L N 0.718 121.659 121.223 -0.470 0.000 2.439 262 L HA 0.592 4.932 4.340 0.001 0.000 0.261 262 L C 1.580 178.186 176.870 -0.440 0.000 1.153 262 L CA 0.552 54.986 54.840 -0.677 0.000 0.808 262 L CB 0.564 41.734 42.059 -1.482 0.000 1.126 262 L HN 1.168 nan 8.230 nan 0.000 0.460 263 G N 0.927 109.537 108.800 -0.317 0.000 2.491 263 G HA2 0.074 4.035 3.960 0.001 0.000 0.203 263 G HA3 0.074 4.035 3.960 0.001 0.000 0.203 263 G C -0.080 174.720 174.900 -0.167 0.000 1.052 263 G CA 0.158 45.190 45.100 -0.112 0.000 0.675 263 G HN 1.259 nan 8.290 nan 0.000 0.504 264 A N -1.727 120.975 122.820 -0.197 0.000 2.550 264 A HA 0.716 5.037 4.320 0.001 0.000 0.295 264 A C -0.814 176.616 177.584 -0.256 0.000 1.001 264 A CA 0.807 52.714 52.037 -0.216 0.000 0.660 264 A CB 0.606 19.490 19.000 -0.193 0.000 1.308 264 A HN 1.196 nan 8.150 nan 0.000 0.426 265 T N 1.132 115.523 114.554 -0.272 0.000 2.861 265 T HA 0.620 4.970 4.350 0.001 0.000 0.287 265 T C -0.683 173.815 174.700 -0.336 0.000 1.003 265 T CA -0.120 61.789 62.100 -0.318 0.000 0.977 265 T CB 0.673 69.374 68.868 -0.279 0.000 0.996 265 T HN 0.486 nan 8.240 nan 0.000 0.448 266 I N 4.205 124.509 120.570 -0.445 0.000 2.315 266 I HA 0.396 4.566 4.170 0.001 0.000 0.291 266 I C 0.084 175.989 176.117 -0.353 0.000 1.006 266 I CA -0.487 60.578 61.300 -0.390 0.000 1.265 266 I CB 1.062 38.793 38.000 -0.448 0.000 1.387 266 I HN 0.448 nan 8.210 nan 0.000 0.475 267 N N 6.862 125.382 118.700 -0.299 0.000 2.399 267 N HA 0.538 5.278 4.740 0.001 0.000 0.280 267 N C -1.638 173.695 175.510 -0.296 0.000 1.008 267 N CA -0.466 52.401 53.050 -0.303 0.000 0.894 267 N CB 1.123 39.470 38.487 -0.234 0.000 1.273 267 N HN 0.327 nan 8.380 nan 0.000 0.486 268 L N 3.894 124.887 121.223 -0.383 0.000 2.282 268 L HA 0.506 4.847 4.340 0.001 0.000 0.288 268 L C -0.266 176.503 176.870 -0.168 0.000 1.033 268 L CA -0.508 54.082 54.840 -0.417 0.000 0.807 268 L CB 1.165 42.741 42.059 -0.805 0.000 1.209 268 L HN 0.504 nan 8.230 nan 0.000 0.423 269 I N 3.525 124.072 120.570 -0.038 0.000 2.315 269 I HA 0.341 4.511 4.170 0.001 0.000 0.291 269 I C 0.667 176.963 176.117 0.298 0.000 1.006 269 I CA -0.460 60.898 61.300 0.096 0.000 1.265 269 I CB 1.021 39.055 38.000 0.057 0.000 1.387 269 I HN 0.606 nan 8.210 nan 0.000 0.475 270 R N 4.397 125.073 120.500 0.292 0.000 2.694 270 R HA 0.142 4.482 4.340 0.001 0.000 0.268 270 R C 0.129 176.534 176.300 0.175 0.000 1.061 270 R CA -0.354 55.866 56.100 0.200 0.000 1.133 270 R CB 0.835 31.169 30.300 0.056 0.000 1.020 270 R HN 0.479 nan 8.270 nan 0.000 0.475 271 K N 2.692 123.185 120.400 0.155 0.000 2.401 271 K HA 0.052 4.373 4.320 0.001 0.000 0.278 271 K C -0.071 176.696 176.600 0.279 0.000 1.018 271 K CA 0.381 56.800 56.287 0.219 0.000 0.981 271 K CB 0.751 33.380 32.500 0.215 0.000 0.933 271 K HN 0.308 nan 8.250 nan 0.000 0.477 272 K N 2.614 123.121 120.400 0.179 0.000 2.211 272 K HA 0.415 4.735 4.320 0.001 0.000 0.237 272 K C -2.423 174.216 176.600 0.065 0.000 1.002 272 K CA -2.038 54.333 56.287 0.141 0.000 0.885 272 K CB 1.201 33.780 32.500 0.132 0.000 1.136 272 K HN 0.329 nan 8.250 nan 0.000 0.448 273 P HA 0.174 nan 4.420 nan 0.000 0.278 273 P C -1.084 176.201 177.300 -0.025 0.000 1.258 273 P CA -0.502 62.572 63.100 -0.043 0.000 0.811 273 P CB 0.876 32.516 31.700 -0.100 0.000 1.063 274 T N -3.457 111.071 114.554 -0.044 0.000 2.887 274 T HA 0.344 4.694 4.350 0.001 0.000 0.288 274 T C 0.981 175.669 174.700 -0.019 0.000 1.021 274 T CA -0.547 61.563 62.100 0.016 0.000 1.000 274 T CB 0.788 69.677 68.868 0.035 0.000 1.034 274 T HN 0.331 nan 8.240 nan 0.000 0.467 275 H N 0.718 119.794 119.070 0.010 0.000 2.421 275 H HA -0.019 4.538 4.556 0.000 0.000 0.298 275 H C 1.022 176.368 175.328 0.032 0.000 1.087 275 H CA 1.295 57.351 56.048 0.014 0.000 1.330 275 H CB 0.445 30.219 29.762 0.021 0.000 1.388 275 H HN 0.713 nan 8.280 nan 0.000 0.526 276 E N 1.058 121.352 120.200 0.156 0.000 2.204 276 E HA 0.019 4.369 4.350 0.001 0.000 0.276 276 E C -0.899 175.778 176.600 0.128 0.000 0.974 276 E CA -1.016 55.468 56.400 0.140 0.000 0.815 276 E CB 1.025 30.808 29.700 0.138 0.000 1.119 276 E HN 0.018 nan 8.360 nan 0.000 0.393 277 F N 3.883 123.851 119.950 0.030 0.000 2.533 277 F HA 0.147 4.675 4.527 0.002 0.000 0.378 277 F C 0.275 176.109 175.800 0.057 0.000 1.070 277 F CA 0.283 58.292 58.000 0.015 0.000 1.172 277 F CB 0.342 39.333 39.000 -0.015 0.000 1.085 277 F HN 0.509 nan 8.300 nan 0.000 0.552 278 K N 4.934 125.066 120.400 -0.447 0.000 2.536 278 K HA 0.937 5.257 4.320 0.001 0.000 0.269 278 K C -1.108 175.294 176.600 -0.330 0.000 0.965 278 K CA -0.929 55.241 56.287 -0.195 0.000 0.860 278 K CB 2.114 34.600 32.500 -0.023 0.000 1.423 278 K HN 0.810 nan 8.250 nan 0.000 0.438 279 G N 0.899 109.720 108.800 0.034 0.000 2.328 279 G HA2 0.343 4.303 3.960 0.001 0.000 0.295 279 G HA3 0.343 4.303 3.960 0.001 0.000 0.295 279 G C -1.820 172.953 174.900 -0.211 0.000 1.413 279 G CA -0.780 44.331 45.100 0.018 0.000 0.817 279 G HN 0.991 nan 8.290 nan 0.000 0.546 280 H N -2.267 116.589 119.070 -0.357 0.000 2.949 280 H HA 0.831 5.388 4.556 0.000 0.000 0.356 280 H C -1.516 173.443 175.328 -0.615 0.000 1.212 280 H CA -1.048 54.618 56.048 -0.635 0.000 1.136 280 H CB 1.725 31.317 29.762 -0.285 0.000 1.869 280 H HN 0.537 nan 8.280 nan 0.000 0.556 281 V N 0.517 120.161 119.914 -0.450 0.000 2.628 281 V HA 0.288 4.408 4.120 0.001 0.000 0.306 281 V C -0.299 175.818 176.094 0.039 0.000 1.045 281 V CA -0.598 61.584 62.300 -0.195 0.000 0.905 281 V CB 1.891 33.557 31.823 -0.260 0.000 0.997 281 V HN 0.865 nan 8.190 nan 0.000 0.436 282 E N 3.328 123.597 120.200 0.114 0.000 2.272 282 E HA 0.679 5.029 4.350 0.001 0.000 0.269 282 E C -1.794 174.876 176.600 0.116 0.000 0.877 282 E CA -0.585 55.883 56.400 0.112 0.000 0.755 282 E CB 1.819 31.582 29.700 0.104 0.000 1.192 282 E HN 0.586 nan 8.360 nan 0.000 0.422 283 L N 3.603 124.900 121.223 0.122 0.000 2.372 283 L HA 0.668 5.008 4.340 0.001 0.000 0.273 283 L C 0.179 177.129 176.870 0.134 0.000 0.989 283 L CA -0.865 54.057 54.840 0.137 0.000 0.841 283 L CB 1.798 43.945 42.059 0.146 0.000 1.225 283 L HN 0.598 nan 8.230 nan 0.000 0.414 284 G N 2.024 110.904 108.800 0.135 0.000 2.489 284 G HA2 0.848 4.808 3.960 0.001 0.000 0.327 284 G HA3 0.848 4.808 3.960 0.001 0.000 0.327 284 G C -1.375 173.608 174.900 0.138 0.000 1.189 284 G CA -0.574 44.601 45.100 0.125 0.000 0.962 284 G HN 0.679 nan 8.290 nan 0.000 0.486 285 A N -0.348 122.538 122.820 0.110 0.000 2.429 285 A HA 0.880 5.200 4.320 0.001 0.000 0.289 285 A C -0.031 177.560 177.584 0.012 0.000 1.043 285 A CA 0.067 52.111 52.037 0.011 0.000 0.722 285 A CB 1.541 20.573 19.000 0.054 0.000 1.243 285 A HN 1.680 nan 8.150 nan 0.000 0.415 286 G N 0.100 108.837 108.800 -0.105 0.000 2.730 286 G HA2 0.570 4.531 3.960 0.001 0.000 0.289 286 G HA3 0.570 4.531 3.960 0.001 0.000 0.289 286 G C -0.196 174.605 174.900 -0.164 0.000 1.341 286 G CA -0.499 44.560 45.100 -0.069 0.000 0.932 286 G HN 0.919 nan 8.290 nan 0.000 0.481 287 S N 0.566 116.117 115.700 -0.248 0.000 2.643 287 S HA 0.019 4.489 4.470 0.001 0.000 0.310 287 S C -0.003 174.381 174.600 -0.359 0.000 1.253 287 S CA 0.873 58.723 58.200 -0.583 0.000 1.047 287 S CB -0.259 62.275 63.200 -1.111 0.000 0.767 287 S HN 0.641 nan 8.310 nan 0.000 0.498 288 W N 1.967 123.289 121.300 0.036 0.000 5.721 288 W HA -0.182 4.479 4.660 0.001 0.000 0.406 288 W C -0.120 176.377 176.519 -0.037 0.000 1.576 288 W CA 0.298 57.672 57.345 0.049 0.000 0.977 288 W CB -2.771 26.774 29.460 0.142 0.000 2.771 288 W HN 0.936 nan 8.180 nan 0.000 1.435 289 D N -0.544 119.812 120.400 -0.074 0.000 2.697 289 D HA -0.216 4.424 4.640 0.001 0.000 0.238 289 D C 0.110 176.202 176.300 -0.346 0.000 1.152 289 D CA 1.278 55.109 54.000 -0.281 0.000 0.666 289 D CB -1.112 39.560 40.800 -0.213 0.000 1.037 289 D HN 0.300 nan 8.370 nan 0.000 0.423 290 N N 0.897 119.377 118.700 -0.367 0.000 2.485 290 N HA 0.200 4.940 4.740 0.001 0.000 0.243 290 N C -1.392 173.951 175.510 -0.279 0.000 0.987 290 N CA -0.131 52.820 53.050 -0.165 0.000 0.940 290 N CB 0.293 38.776 38.487 -0.008 0.000 1.122 290 N HN 0.053 nan 8.380 nan 0.000 0.509 291 Y N 1.920 122.255 120.300 0.059 0.000 2.352 291 Y HA 0.483 5.033 4.550 0.001 0.000 0.339 291 Y C 0.626 176.554 175.900 0.047 0.000 0.992 291 Y CA -0.844 57.293 58.100 0.062 0.000 1.100 291 Y CB 1.529 40.034 38.460 0.075 0.000 1.192 291 Y HN 0.385 nan 8.280 nan 0.000 0.458 292 R N 1.463 122.094 120.500 0.218 0.000 2.668 292 R HA 0.813 5.153 4.340 0.001 0.000 0.272 292 R C -1.688 174.716 176.300 0.172 0.000 1.019 292 R CA -0.623 55.567 56.100 0.151 0.000 0.894 292 R CB 1.742 32.096 30.300 0.091 0.000 1.228 292 R HN 0.738 nan 8.270 nan 0.000 0.460 293 S N 1.458 117.265 115.700 0.178 0.000 2.546 293 S HA 0.559 5.030 4.470 0.001 0.000 0.274 293 S C -1.193 173.494 174.600 0.144 0.000 1.121 293 S CA -0.842 57.457 58.200 0.165 0.000 0.887 293 S CB 2.067 65.375 63.200 0.179 0.000 1.094 293 S HN 0.760 nan 8.310 nan 0.000 0.474 294 E N 0.906 121.178 120.200 0.121 0.000 2.335 294 E HA 0.605 4.955 4.350 0.001 0.000 0.280 294 E C -2.353 174.286 176.600 0.065 0.000 0.918 294 E CA -0.849 55.615 56.400 0.106 0.000 0.765 294 E CB 1.799 31.578 29.700 0.132 0.000 1.218 294 E HN 0.604 nan 8.360 nan 0.000 0.425 295 L N 3.671 124.905 121.223 0.018 0.000 2.431 295 L HA 0.616 4.956 4.340 0.001 0.000 0.266 295 L C -2.060 174.744 176.870 -0.110 0.000 0.978 295 L CA -0.295 54.510 54.840 -0.059 0.000 0.822 295 L CB 1.991 44.054 42.059 0.006 0.000 1.310 295 L HN 0.605 nan 8.230 nan 0.000 0.409 296 D N 3.926 124.169 120.400 -0.262 0.000 2.763 296 D HA 0.513 5.153 4.640 0.001 0.000 0.235 296 D C -1.915 174.248 176.300 -0.229 0.000 1.334 296 D CA -0.091 53.746 54.000 -0.272 0.000 0.950 296 D CB 2.018 42.554 40.800 -0.441 0.000 1.433 296 D HN 0.297 nan 8.370 nan 0.000 0.580 297 V N 2.316 122.133 119.914 -0.162 0.000 2.604 297 V HA 0.747 4.868 4.120 0.001 0.000 0.305 297 V C -0.245 175.688 176.094 -0.268 0.000 1.043 297 V CA -0.669 61.504 62.300 -0.213 0.000 0.888 297 V CB 1.776 33.498 31.823 -0.168 0.000 0.995 297 V HN 0.603 nan 8.190 nan 0.000 0.429 298 S N 2.177 117.637 115.700 -0.400 0.000 2.548 298 S HA 0.941 5.411 4.470 0.001 0.000 0.276 298 S C -0.317 174.094 174.600 -0.316 0.000 1.129 298 S CA 0.320 58.347 58.200 -0.288 0.000 0.931 298 S CB 1.695 64.781 63.200 -0.191 0.000 1.068 298 S HN 1.498 nan 8.310 nan 0.000 0.480 299 G N 3.138 111.844 108.800 -0.157 0.000 2.342 299 G HA2 0.476 4.437 3.960 0.001 0.000 0.297 299 G HA3 0.476 4.437 3.960 0.001 0.000 0.297 299 G C -3.546 171.322 174.900 -0.053 0.000 1.313 299 G CA -0.712 44.362 45.100 -0.044 0.000 0.830 299 G HN 0.522 nan 8.290 nan 0.000 0.506 300 P HA 0.297 nan 4.420 nan 0.000 0.271 300 P C 0.406 177.662 177.300 -0.073 0.000 1.216 300 P CA -0.140 62.910 63.100 -0.082 0.000 0.776 300 P CB 1.519 33.183 31.700 -0.060 0.000 0.881 301 L N 0.828 121.979 121.223 -0.121 0.000 2.642 301 L HA 0.126 4.466 4.340 0.001 0.000 0.233 301 L C 1.161 177.965 176.870 -0.109 0.000 1.077 301 L CA 0.595 55.365 54.840 -0.117 0.000 0.879 301 L CB 0.186 42.147 42.059 -0.164 0.000 1.151 301 L HN 0.455 nan 8.230 nan 0.000 0.495 302 T N -3.837 110.646 114.554 -0.118 0.000 2.885 302 T HA 0.190 4.540 4.350 0.001 0.000 0.285 302 T C 0.908 175.521 174.700 -0.145 0.000 1.019 302 T CA -0.751 61.283 62.100 -0.110 0.000 1.010 302 T CB 1.936 70.751 68.868 -0.089 0.000 1.022 302 T HN 0.073 nan 8.240 nan 0.000 0.466 303 E N 1.840 121.927 120.200 -0.189 0.000 2.331 303 E HA -0.157 4.194 4.350 0.001 0.000 0.199 303 E C 1.654 178.027 176.600 -0.379 0.000 1.008 303 E CA 1.441 57.639 56.400 -0.337 0.000 0.843 303 E CB -0.860 28.566 29.700 -0.457 0.000 0.761 303 E HN 0.772 nan 8.360 nan 0.000 0.507 304 S N -0.336 115.230 115.700 -0.225 0.000 2.558 304 S HA 0.284 4.755 4.470 0.001 0.000 0.217 304 S C 1.737 176.291 174.600 -0.077 0.000 0.975 304 S CA 0.352 58.469 58.200 -0.139 0.000 0.912 304 S CB -0.108 63.053 63.200 -0.065 0.000 0.776 304 S HN 0.469 nan 8.310 nan 0.000 0.526 305 G N 3.402 112.143 108.800 -0.099 0.000 2.175 305 G HA2 -0.436 3.525 3.960 0.001 0.000 0.265 305 G HA3 -0.436 3.525 3.960 0.001 0.000 0.265 305 G C 0.840 175.676 174.900 -0.107 0.000 0.979 305 G CA 0.557 45.601 45.100 -0.093 0.000 0.663 305 G HN 0.753 nan 8.290 nan 0.000 0.533 306 N N -0.091 118.571 118.700 -0.065 0.000 2.513 306 N HA -0.005 4.736 4.740 0.001 0.000 0.187 306 N C 0.503 175.966 175.510 -0.078 0.000 1.056 306 N CA 1.691 54.718 53.050 -0.038 0.000 0.907 306 N CB -0.100 38.387 38.487 0.001 0.000 0.954 306 N HN 0.584 nan 8.380 nan 0.000 0.445 307 V N 0.416 120.240 119.914 -0.151 0.000 2.588 307 V HA 0.472 4.592 4.120 0.001 0.000 0.304 307 V C -0.178 175.735 176.094 -0.300 0.000 1.042 307 V CA -0.872 61.261 62.300 -0.277 0.000 0.877 307 V CB 1.796 33.441 31.823 -0.296 0.000 0.996 307 V HN 0.067 nan 8.190 nan 0.000 0.425 308 R N 1.811 122.104 120.500 -0.345 0.000 2.750 308 R HA 0.809 5.149 4.340 0.001 0.000 0.281 308 R C -0.106 176.032 176.300 -0.270 0.000 0.972 308 R CA -0.488 55.445 56.100 -0.279 0.000 0.912 308 R CB 2.453 32.590 30.300 -0.272 0.000 1.187 308 R HN 0.938 nan 8.270 nan 0.000 0.464 309 G N 0.929 109.602 108.800 -0.212 0.000 2.533 309 G HA2 0.665 4.625 3.960 0.001 0.000 0.304 309 G HA3 0.665 4.625 3.960 0.001 0.000 0.304 309 G C -1.428 173.362 174.900 -0.183 0.000 1.263 309 G CA -0.564 44.415 45.100 -0.202 0.000 0.964 309 G HN 0.427 nan 8.290 nan 0.000 0.479 310 R N -0.192 120.179 120.500 -0.215 0.000 2.651 310 R HA 0.702 5.043 4.340 0.001 0.000 0.278 310 R C -1.224 174.894 176.300 -0.304 0.000 1.010 310 R CA -0.569 55.395 56.100 -0.228 0.000 0.896 310 R CB 2.115 32.298 30.300 -0.194 0.000 1.211 310 R HN 0.872 nan 8.270 nan 0.000 0.456 311 A N 2.847 125.528 122.820 -0.232 0.000 2.422 311 A HA 0.707 5.027 4.320 0.001 0.000 0.302 311 A C -1.539 175.987 177.584 -0.096 0.000 1.041 311 A CA -0.593 51.328 52.037 -0.195 0.000 0.708 311 A CB 2.014 20.937 19.000 -0.129 0.000 1.257 311 A HN 0.377 nan 8.150 nan 0.000 0.414 312 V N 0.605 120.519 119.914 -0.000 0.000 2.760 312 V HA 0.845 4.965 4.120 0.001 0.000 0.309 312 V C -0.017 176.167 176.094 0.150 0.000 1.077 312 V CA -0.150 62.197 62.300 0.077 0.000 0.910 312 V CB 1.714 33.638 31.823 0.168 0.000 1.008 312 V HN 1.622 nan 8.190 nan 0.000 0.424 313 A N 3.150 126.045 122.820 0.125 0.000 2.422 313 A HA 1.024 5.345 4.320 0.001 0.000 0.302 313 A C -0.556 177.087 177.584 0.099 0.000 1.041 313 A CA -0.109 52.026 52.037 0.163 0.000 0.708 313 A CB 1.883 21.047 19.000 0.274 0.000 1.257 313 A HN 1.694 nan 8.150 nan 0.000 0.414 314 A N 1.027 123.880 122.820 0.055 0.000 2.498 314 A HA 0.816 5.136 4.320 0.001 0.000 0.298 314 A C -1.633 176.021 177.584 0.117 0.000 1.075 314 A CA -0.455 51.632 52.037 0.084 0.000 0.714 314 A CB 1.289 20.326 19.000 0.062 0.000 1.299 314 A HN 1.785 nan 8.150 nan 0.000 0.407 315 Y N 0.577 120.887 120.300 0.016 0.000 2.457 315 Y HA 0.655 5.205 4.550 0.001 0.000 0.343 315 Y C -0.640 175.295 175.900 0.059 0.000 0.994 315 Y CA -0.346 57.766 58.100 0.021 0.000 1.031 315 Y CB 1.937 40.419 38.460 0.037 0.000 1.246 315 Y HN 0.859 nan 8.280 nan 0.000 0.449 316 Q N 4.402 123.902 119.800 -0.501 0.000 2.359 316 Q HA 0.411 4.752 4.340 0.001 0.000 0.274 316 Q C -2.342 173.353 176.000 -0.509 0.000 1.074 316 Q CA -0.764 54.828 55.803 -0.352 0.000 0.810 316 Q CB 2.052 30.722 28.738 -0.114 0.000 1.342 316 Q HN 0.764 nan 8.270 nan 0.000 0.427 317 D N 2.500 122.766 120.400 -0.224 0.000 2.863 317 D HA 0.382 5.023 4.640 0.001 0.000 0.245 317 D C -1.726 174.643 176.300 0.115 0.000 1.211 317 D CA -0.253 53.701 54.000 -0.077 0.000 0.888 317 D CB 1.442 42.274 40.800 0.054 0.000 1.483 317 D HN 0.651 nan 8.370 nan 0.000 0.533 318 K N 1.380 121.867 120.400 0.145 0.000 2.527 318 K HA 0.538 4.859 4.320 0.001 0.000 0.260 318 K C -1.025 175.801 176.600 0.377 0.000 0.937 318 K CA -0.710 55.712 56.287 0.224 0.000 0.826 318 K CB 1.892 34.497 32.500 0.175 0.000 1.359 318 K HN 0.175 nan 8.250 nan 0.000 0.434 319 H N 0.094 119.260 119.070 0.159 0.000 2.889 319 H HA 0.591 5.147 4.556 0.001 0.000 0.279 319 H C -0.093 175.366 175.328 0.218 0.000 1.553 319 H CA -0.551 55.594 56.048 0.162 0.000 1.593 319 H CB 1.361 31.220 29.762 0.163 0.000 1.718 319 H HN 0.859 nan 8.280 nan 0.000 0.901 320 S N -0.716 115.119 115.700 0.226 0.000 2.732 320 S HA 0.230 4.701 4.470 0.001 0.000 0.293 320 S C 0.584 174.784 174.600 -0.667 0.000 1.159 320 S CA -0.591 57.519 58.200 -0.149 0.000 0.847 320 S CB 0.257 63.223 63.200 -0.389 0.000 1.169 320 S HN 0.552 nan 8.310 nan 0.000 0.501 321 F N -0.440 118.613 119.950 -1.496 0.000 2.494 321 F HA 0.337 4.865 4.527 0.000 0.000 0.298 321 F C 0.849 176.351 175.800 -0.497 0.000 1.106 321 F CA -0.001 57.198 58.000 -1.334 0.000 1.452 321 F CB -0.577 37.681 39.000 -1.236 0.000 1.085 321 F HN 0.235 nan 8.300 nan 0.000 0.569 322 M N 2.111 121.059 119.600 -1.087 0.000 2.063 322 M HA 0.132 4.613 4.480 0.001 0.000 0.348 322 M C -0.317 175.763 176.300 -0.367 0.000 1.180 322 M CA -0.559 54.294 55.300 -0.745 0.000 1.059 322 M CB 0.509 32.535 32.600 -0.957 0.000 1.544 322 M HN -0.010 nan 8.290 nan 0.000 0.447 323 D N 3.589 123.884 120.400 -0.175 0.000 2.844 323 D HA -0.198 4.443 4.640 0.001 0.000 0.217 323 D C 0.827 177.079 176.300 -0.079 0.000 1.121 323 D CA 1.658 55.644 54.000 -0.024 0.000 0.829 323 D CB 0.429 41.274 40.800 0.076 0.000 1.194 323 D HN 0.804 nan 8.370 nan 0.000 0.513 324 H N 0.973 119.966 119.070 -0.128 0.000 2.636 324 H HA -0.301 4.255 4.556 0.001 0.000 0.312 324 H C -1.396 173.871 175.328 -0.103 0.000 1.106 324 H CA 0.964 56.925 56.048 -0.146 0.000 1.139 324 H CB -2.674 26.958 29.762 -0.217 0.000 1.423 324 H HN 0.476 nan 8.280 nan 0.000 0.407 325 Y N 0.916 120.994 120.300 -0.369 0.000 2.346 325 Y HA 0.481 5.031 4.550 0.001 0.000 0.332 325 Y C -0.416 175.288 175.900 -0.327 0.000 0.985 325 Y CA -0.434 57.455 58.100 -0.351 0.000 1.112 325 Y CB 1.385 39.626 38.460 -0.365 0.000 1.170 325 Y HN 0.539 nan 8.280 nan 0.000 0.447 326 E N 5.325 125.044 120.200 -0.802 0.000 2.378 326 E HA 0.695 5.046 4.350 0.001 0.000 0.265 326 E C -1.610 174.541 176.600 -0.747 0.000 0.932 326 E CA -1.529 54.464 56.400 -0.678 0.000 0.795 326 E CB 2.761 32.169 29.700 -0.487 0.000 1.296 326 E HN 0.651 nan 8.360 nan 0.000 0.438 327 R N 0.824 121.106 120.500 -0.364 0.000 2.518 327 R HA 0.265 4.606 4.340 0.001 0.000 0.287 327 R C -1.575 174.659 176.300 -0.111 0.000 1.135 327 R CA -0.569 55.388 56.100 -0.239 0.000 0.967 327 R CB 1.498 31.707 30.300 -0.151 0.000 1.212 327 R HN 0.521 nan 8.270 nan 0.000 0.422 328 K N 2.584 122.927 120.400 -0.094 0.000 2.263 328 K HA 0.232 4.553 4.320 0.001 0.000 0.272 328 K C -0.473 176.056 176.600 -0.117 0.000 1.033 328 K CA -0.458 55.752 56.287 -0.128 0.000 0.884 328 K CB 1.888 34.380 32.500 -0.013 0.000 1.107 328 K HN 0.581 nan 8.250 nan 0.000 0.460 329 T N -0.652 113.785 114.554 -0.194 0.000 2.823 329 T HA 0.479 4.829 4.350 0.001 0.000 0.279 329 T C -0.390 174.256 174.700 -0.089 0.000 0.998 329 T CA -0.722 61.315 62.100 -0.104 0.000 0.994 329 T CB 1.153 69.984 68.868 -0.062 0.000 0.960 329 T HN 0.326 nan 8.240 nan 0.000 0.448 330 S N 2.617 118.321 115.700 0.006 0.000 2.605 330 S HA 0.641 5.111 4.470 0.001 0.000 0.308 330 S C -0.432 174.079 174.600 -0.148 0.000 1.113 330 S CA -0.881 57.326 58.200 0.012 0.000 1.049 330 S CB 1.292 64.550 63.200 0.096 0.000 1.001 330 S HN 1.190 nan 8.310 nan 0.000 0.480 331 V N 3.519 123.298 119.914 -0.224 0.000 2.555 331 V HA 0.800 4.921 4.120 0.001 0.000 0.302 331 V C -2.048 173.829 176.094 -0.363 0.000 1.038 331 V CA -0.533 61.637 62.300 -0.217 0.000 0.887 331 V CB 1.027 32.811 31.823 -0.064 0.000 0.991 331 V HN 0.821 nan 8.190 nan 0.000 0.434 332 Y N 5.437 125.892 120.300 0.258 0.000 2.524 332 Y HA 0.826 5.377 4.550 0.000 0.000 0.344 332 Y C -0.723 175.333 175.900 0.260 0.000 1.012 332 Y CA -1.071 57.148 58.100 0.199 0.000 1.068 332 Y CB 1.967 40.504 38.460 0.128 0.000 1.249 332 Y HN 0.806 nan 8.280 nan 0.000 0.468 333 Y N 0.228 120.649 120.300 0.201 0.000 2.357 333 Y HA 0.643 5.194 4.550 0.001 0.000 0.319 333 Y C -1.162 174.773 175.900 0.059 0.000 1.225 333 Y CA -1.440 56.724 58.100 0.106 0.000 1.095 333 Y CB 1.535 40.022 38.460 0.045 0.000 1.302 333 Y HN 0.763 nan 8.280 nan 0.000 0.429 334 G N 5.176 113.849 108.800 -0.211 0.000 2.591 334 G HA2 0.669 4.629 3.960 0.001 0.000 0.306 334 G HA3 0.669 4.629 3.960 0.001 0.000 0.306 334 G C -2.122 172.517 174.900 -0.434 0.000 1.334 334 G CA -0.918 43.953 45.100 -0.382 0.000 0.981 334 G HN 0.899 nan 8.290 nan 0.000 0.491 335 I N 1.553 121.865 120.570 -0.430 0.000 2.586 335 I HA 0.508 4.679 4.170 0.001 0.000 0.288 335 I C -1.503 174.511 176.117 -0.170 0.000 1.147 335 I CA -0.909 60.252 61.300 -0.231 0.000 1.047 335 I CB 1.461 39.373 38.000 -0.146 0.000 1.244 335 I HN 0.331 nan 8.210 nan 0.000 0.429 336 L N 6.986 128.143 121.223 -0.110 0.000 2.317 336 L HA 0.580 4.920 4.340 0.001 0.000 0.281 336 L C -0.378 176.429 176.870 -0.104 0.000 1.024 336 L CA -0.509 54.223 54.840 -0.180 0.000 0.810 336 L CB 1.697 43.654 42.059 -0.170 0.000 1.240 336 L HN 0.539 nan 8.230 nan 0.000 0.427 337 E N 2.666 122.727 120.200 -0.232 0.000 2.176 337 E HA 0.489 4.840 4.350 0.001 0.000 0.267 337 E C -1.550 174.895 176.600 -0.259 0.000 0.893 337 E CA -0.462 55.878 56.400 -0.100 0.000 0.761 337 E CB 1.871 31.526 29.700 -0.075 0.000 1.133 337 E HN 0.272 nan 8.360 nan 0.000 0.409 338 F N 1.296 121.234 119.950 -0.020 0.000 2.508 338 F HA 0.300 4.828 4.527 0.001 0.000 0.325 338 F C 0.221 176.016 175.800 -0.008 0.000 1.090 338 F CA -1.076 56.911 58.000 -0.022 0.000 0.945 338 F CB 1.457 40.445 39.000 -0.020 0.000 1.156 338 F HN 0.207 nan 8.300 nan 0.000 0.463 339 D N 3.424 123.922 120.400 0.163 0.000 2.359 339 D HA 0.279 4.920 4.640 0.001 0.000 0.230 339 D C 1.015 177.380 176.300 0.108 0.000 1.118 339 D CA 0.022 54.090 54.000 0.113 0.000 0.844 339 D CB 1.513 42.358 40.800 0.076 0.000 1.059 339 D HN 0.458 nan 8.370 nan 0.000 0.493 340 L N 2.452 123.727 121.223 0.086 0.000 2.056 340 L HA -0.112 4.228 4.340 0.001 0.000 0.207 340 L C 0.793 177.686 176.870 0.039 0.000 1.078 340 L CA 1.121 55.989 54.840 0.046 0.000 0.749 340 L CB -0.253 41.815 42.059 0.014 0.000 0.901 340 L HN 0.459 nan 8.230 nan 0.000 0.433 341 N N -3.368 115.361 118.700 0.048 0.000 3.344 341 N HA 0.249 4.989 4.740 0.001 0.000 0.296 341 N C -2.427 173.117 175.510 0.057 0.000 1.571 341 N CA -1.112 51.966 53.050 0.048 0.000 0.844 341 N CB 0.328 38.841 38.487 0.042 0.000 1.718 341 N HN -0.378 nan 8.380 nan 0.000 0.589 342 P HA 0.061 nan 4.420 nan 0.000 0.242 342 P C -0.547 176.777 177.300 0.040 0.000 1.197 342 P CA 0.968 64.097 63.100 0.048 0.000 0.765 342 P CB 0.120 31.844 31.700 0.039 0.000 0.936 343 D N -0.900 119.530 120.400 0.050 0.000 2.407 343 D HA 0.082 4.722 4.640 0.001 0.000 0.208 343 D C -0.017 176.332 176.300 0.080 0.000 1.083 343 D CA 0.666 54.672 54.000 0.010 0.000 0.844 343 D CB 0.715 41.489 40.800 -0.043 0.000 0.967 343 D HN 0.120 nan 8.370 nan 0.000 0.506 344 T N 0.930 115.559 114.554 0.126 0.000 2.928 344 T HA 0.461 4.811 4.350 0.001 0.000 0.296 344 T C -0.480 174.272 174.700 0.087 0.000 1.000 344 T CA -0.570 61.614 62.100 0.141 0.000 0.989 344 T CB 2.397 71.332 68.868 0.111 0.000 1.005 344 T HN -0.124 nan 8.240 nan 0.000 0.442 345 M N 4.275 123.925 119.600 0.084 0.000 2.253 345 M HA 0.675 5.155 4.480 0.001 0.000 0.314 345 M C -1.835 174.524 176.300 0.097 0.000 1.019 345 M CA -1.210 54.147 55.300 0.095 0.000 0.932 345 M CB 1.314 33.972 32.600 0.096 0.000 1.606 345 M HN 0.561 nan 8.290 nan 0.000 0.430 346 L N 5.202 126.497 121.223 0.120 0.000 2.282 346 L HA 0.645 4.985 4.340 0.001 0.000 0.288 346 L C -1.090 175.903 176.870 0.205 0.000 1.033 346 L CA 0.453 55.366 54.840 0.122 0.000 0.807 346 L CB 1.795 43.886 42.059 0.053 0.000 1.209 346 L HN 0.727 nan 8.230 nan 0.000 0.423 347 T N 5.138 119.806 114.554 0.190 0.000 2.823 347 T HA 0.660 5.011 4.350 0.001 0.000 0.279 347 T C -0.451 174.362 174.700 0.188 0.000 0.998 347 T CA -0.406 61.825 62.100 0.218 0.000 0.994 347 T CB 1.487 70.499 68.868 0.240 0.000 0.960 347 T HN 0.608 nan 8.240 nan 0.000 0.448 348 V N 0.095 120.098 119.914 0.148 0.000 2.815 348 V HA 1.092 5.213 4.120 0.001 0.000 0.314 348 V C -0.016 175.955 176.094 -0.204 0.000 1.064 348 V CA -0.729 61.559 62.300 -0.019 0.000 0.952 348 V CB 1.551 33.381 31.823 0.012 0.000 1.020 348 V HN 1.129 nan 8.190 nan 0.000 0.439 349 G N 1.042 109.459 108.800 -0.638 0.000 2.702 349 G HA2 0.852 4.812 3.960 0.001 0.000 0.296 349 G HA3 0.852 4.812 3.960 0.001 0.000 0.296 349 G C -1.150 173.278 174.900 -0.786 0.000 1.463 349 G CA -0.164 44.508 45.100 -0.714 0.000 0.890 349 G HN 1.629 nan 8.290 nan 0.000 0.534 350 A N 0.933 123.651 122.820 -0.171 0.000 2.401 350 A HA 0.945 5.266 4.320 0.001 0.000 0.310 350 A C -0.917 176.862 177.584 0.324 0.000 1.075 350 A CA -0.337 51.729 52.037 0.048 0.000 0.746 350 A CB 2.121 21.146 19.000 0.041 0.000 1.277 350 A HN 1.250 nan 8.150 nan 0.000 0.425 351 D N -1.099 119.492 120.400 0.317 0.000 2.579 351 D HA 0.649 5.289 4.640 0.001 0.000 0.257 351 D C -1.151 175.328 176.300 0.299 0.000 1.176 351 D CA -0.488 53.695 54.000 0.305 0.000 0.914 351 D CB 1.141 42.002 40.800 0.101 0.000 1.431 351 D HN 0.665 nan 8.370 nan 0.000 0.454 352 Y N -0.476 119.899 120.300 0.126 0.000 2.474 352 Y HA 0.427 4.977 4.550 0.001 0.000 0.326 352 Y C -2.058 173.877 175.900 0.059 0.000 1.160 352 Y CA -0.456 57.719 58.100 0.125 0.000 1.056 352 Y CB 1.715 40.309 38.460 0.224 0.000 1.330 352 Y HN 0.650 nan 8.280 nan 0.000 0.447 353 Q N 4.691 124.154 119.800 -0.563 0.000 2.295 353 Q HA 0.315 4.655 4.340 0.001 0.000 0.268 353 Q C -2.466 173.258 176.000 -0.459 0.000 1.010 353 Q CA -0.728 54.839 55.803 -0.394 0.000 0.856 353 Q CB 1.947 30.584 28.738 -0.169 0.000 1.349 353 Q HN 0.723 nan 8.270 nan 0.000 0.412 354 D N 2.735 122.968 120.400 -0.277 0.000 2.549 354 D HA 0.307 4.948 4.640 0.001 0.000 0.251 354 D C -1.264 175.023 176.300 -0.021 0.000 1.153 354 D CA -0.341 53.594 54.000 -0.108 0.000 0.861 354 D CB 1.108 41.892 40.800 -0.025 0.000 1.207 354 D HN 0.473 nan 8.370 nan 0.000 0.543 355 N N 3.020 121.728 118.700 0.013 0.000 2.437 355 N HA 0.242 4.983 4.740 0.001 0.000 0.259 355 N C -1.166 174.381 175.510 0.062 0.000 0.983 355 N CA -0.406 52.660 53.050 0.025 0.000 0.937 355 N CB 1.642 40.143 38.487 0.024 0.000 1.122 355 N HN 0.389 nan 8.380 nan 0.000 0.499 356 D N 2.767 123.189 120.400 0.037 0.000 2.358 356 D HA 0.356 4.996 4.640 0.001 0.000 0.253 356 D C -2.811 173.483 176.300 -0.010 0.000 1.288 356 D CA -1.581 52.445 54.000 0.043 0.000 0.950 356 D CB 1.982 42.806 40.800 0.039 0.000 1.197 356 D HN 0.210 nan 8.370 nan 0.000 0.550 357 P HA 0.527 nan 4.420 nan 0.000 0.289 357 P C -0.972 176.250 177.300 -0.130 0.000 1.302 357 P CA -0.883 62.115 63.100 -0.168 0.000 0.923 357 P CB 1.791 33.400 31.700 -0.150 0.000 1.238 358 K N -0.362 119.881 120.400 -0.262 0.000 2.328 358 K HA 0.559 4.879 4.320 0.001 0.000 0.246 358 K C 0.762 177.265 176.600 -0.161 0.000 0.955 358 K CA -0.444 55.764 56.287 -0.132 0.000 0.817 358 K CB 1.073 33.516 32.500 -0.095 0.000 1.208 358 K HN 0.817 nan 8.250 nan 0.000 0.432 359 G N 0.851 109.627 108.800 -0.039 0.000 2.160 359 G HA2 -0.271 3.689 3.960 0.001 0.000 0.251 359 G HA3 -0.271 3.689 3.960 0.001 0.000 0.251 359 G C 0.040 175.012 174.900 0.119 0.000 1.008 359 G CA 0.470 45.542 45.100 -0.046 0.000 0.724 359 G HN 0.416 nan 8.290 nan 0.000 0.514 360 S N 0.415 116.225 115.700 0.183 0.000 2.546 360 S HA 0.466 4.937 4.470 0.001 0.000 0.290 360 S C 1.190 175.906 174.600 0.192 0.000 1.290 360 S CA 0.488 58.852 58.200 0.273 0.000 1.069 360 S CB 0.771 64.137 63.200 0.276 0.000 0.846 360 S HN 1.205 nan 8.310 nan 0.000 0.495 361 G N 1.632 110.538 108.800 0.176 0.000 2.522 361 G HA2 0.549 4.509 3.960 0.001 0.000 0.304 361 G HA3 0.549 4.509 3.960 0.001 0.000 0.304 361 G C -1.550 173.580 174.900 0.382 0.000 1.210 361 G CA -0.468 44.767 45.100 0.226 0.000 0.960 361 G HN 0.652 nan 8.290 nan 0.000 0.497 362 W N -0.213 121.193 121.300 0.177 0.000 3.211 362 W HA 0.505 5.165 4.660 0.001 0.000 0.335 362 W C 0.109 176.746 176.519 0.197 0.000 1.113 362 W CA -0.744 56.735 57.345 0.223 0.000 1.235 362 W CB 1.046 30.620 29.460 0.191 0.000 1.365 362 W HN 1.245 nan 8.180 nan 0.000 0.476 363 S N 4.443 120.370 115.700 0.378 0.000 3.877 363 S HA 0.245 4.716 4.470 0.001 0.000 0.520 363 S C 0.333 175.077 174.600 0.240 0.000 0.778 363 S CA 1.820 60.197 58.200 0.295 0.000 1.362 363 S CB -1.602 61.500 63.200 -0.164 0.000 0.850 363 S HN 2.620 nan 8.310 nan 0.000 0.695 364 G N 2.607 111.547 108.800 0.234 0.000 2.752 364 G HA2 -0.167 3.794 3.960 0.001 0.000 0.234 364 G HA3 -0.167 3.794 3.960 0.001 0.000 0.234 364 G C 0.602 175.513 174.900 0.019 0.000 1.367 364 G CA 0.237 45.358 45.100 0.035 0.000 0.879 364 G HN 1.594 nan 8.290 nan 0.000 0.563 365 S N -0.713 114.921 115.700 -0.110 0.000 2.499 365 S HA 0.477 4.947 4.470 0.001 0.000 0.225 365 S C 0.332 175.139 174.600 0.344 0.000 1.050 365 S CA 1.500 59.754 58.200 0.090 0.000 0.928 365 S CB 0.055 63.333 63.200 0.130 0.000 0.803 365 S HN 1.166 nan 8.310 nan 0.000 0.506 366 F N 0.231 120.290 119.950 0.182 0.000 2.631 366 F HA 0.728 5.255 4.527 0.000 0.000 0.308 366 F C -3.420 172.384 175.800 0.006 0.000 1.097 366 F CA -2.936 55.142 58.000 0.129 0.000 0.952 366 F CB 0.686 39.598 39.000 -0.146 0.000 1.307 366 F HN -0.269 nan 8.300 nan 0.000 0.450 367 P HA 0.284 nan 4.420 nan 0.000 0.278 367 P C 0.447 177.751 177.300 0.007 0.000 1.238 367 P CA -0.429 62.688 63.100 0.030 0.000 0.794 367 P CB 1.786 33.499 31.700 0.022 0.000 0.955 368 L N 0.464 121.504 121.223 -0.306 0.000 2.191 368 L HA -0.035 4.305 4.340 0.001 0.000 0.212 368 L C 0.527 177.086 176.870 -0.519 0.000 1.103 368 L CA 1.472 55.973 54.840 -0.566 0.000 0.769 368 L CB -0.416 40.907 42.059 -1.226 0.000 0.908 368 L HN 0.279 nan 8.230 nan 0.000 0.438 369 F N -0.133 119.763 119.950 -0.090 0.000 2.493 369 F HA 0.251 4.778 4.527 0.001 0.000 0.329 369 F C 0.430 176.117 175.800 -0.188 0.000 1.126 369 F CA -2.535 55.388 58.000 -0.128 0.000 0.937 369 F CB 0.733 39.633 39.000 -0.167 0.000 1.146 369 F HN -0.067 nan 8.300 nan 0.000 0.442 370 D N 0.285 120.696 120.400 0.019 0.000 2.223 370 D HA -0.014 4.626 4.640 0.001 0.000 0.250 370 D C 1.404 177.598 176.300 -0.177 0.000 1.287 370 D CA 0.422 54.347 54.000 -0.125 0.000 0.977 370 D CB -0.050 40.682 40.800 -0.113 0.000 1.177 370 D HN 0.380 nan 8.370 nan 0.000 0.536 371 S N -1.865 113.714 115.700 -0.201 0.000 2.428 371 S HA -0.164 4.306 4.470 0.001 0.000 0.230 371 S C 1.597 176.067 174.600 -0.217 0.000 1.014 371 S CA 0.761 58.798 58.200 -0.272 0.000 0.957 371 S CB -0.436 62.639 63.200 -0.208 0.000 0.784 371 S HN 0.551 nan 8.310 nan 0.000 0.499 372 Q N 0.174 119.878 119.800 -0.159 0.000 2.360 372 Q HA 0.278 4.618 4.340 0.001 0.000 0.202 372 Q C 1.051 176.941 176.000 -0.183 0.000 0.915 372 Q CA 0.334 56.049 55.803 -0.147 0.000 0.943 372 Q CB 0.369 29.047 28.738 -0.100 0.000 1.064 372 Q HN 0.827 nan 8.270 nan 0.000 0.511 373 G N 1.371 110.044 108.800 -0.211 0.000 2.141 373 G HA2 -0.186 3.774 3.960 0.001 0.000 0.231 373 G HA3 -0.186 3.774 3.960 0.001 0.000 0.231 373 G C -0.117 174.638 174.900 -0.242 0.000 0.984 373 G CA -0.231 44.667 45.100 -0.336 0.000 0.660 373 G HN 0.218 nan 8.290 nan 0.000 0.525 374 N N 0.250 118.910 118.700 -0.067 0.000 2.483 374 N HA 0.348 5.088 4.740 0.001 0.000 0.269 374 N C 0.594 176.225 175.510 0.203 0.000 1.209 374 N CA -0.367 52.700 53.050 0.028 0.000 0.969 374 N CB 0.559 39.051 38.487 0.008 0.000 1.173 374 N HN 0.303 nan 8.380 nan 0.000 0.475 375 R N 1.281 121.925 120.500 0.241 0.000 2.449 375 R HA 0.085 4.425 4.340 0.001 0.000 0.296 375 R C 0.076 176.452 176.300 0.126 0.000 1.047 375 R CA -0.107 56.157 56.100 0.274 0.000 1.018 375 R CB 0.222 30.679 30.300 0.261 0.000 0.962 375 R HN 0.414 nan 8.270 nan 0.000 0.428 376 N N 1.636 120.375 118.700 0.064 0.000 2.508 376 N HA -0.001 4.740 4.740 0.001 0.000 0.264 376 N C -0.807 174.662 175.510 -0.068 0.000 1.216 376 N CA 0.365 53.400 53.050 -0.024 0.000 0.943 376 N CB 0.875 39.317 38.487 -0.076 0.000 1.113 376 N HN 0.430 nan 8.380 nan 0.000 0.447 377 D N 1.437 121.791 120.400 -0.077 0.000 2.453 377 D HA 0.338 4.978 4.640 0.001 0.000 0.238 377 D C -0.748 175.455 176.300 -0.161 0.000 1.088 377 D CA -0.364 53.588 54.000 -0.079 0.000 0.854 377 D CB 0.793 41.596 40.800 0.005 0.000 1.076 377 D HN 0.238 nan 8.370 nan 0.000 0.533 378 V N 0.279 120.005 119.914 -0.313 0.000 3.141 378 V HA 0.724 4.844 4.120 0.001 0.000 0.312 378 V C 0.188 176.252 176.094 -0.050 0.000 1.157 378 V CA -0.816 61.316 62.300 -0.280 0.000 1.041 378 V CB 1.707 33.132 31.823 -0.664 0.000 1.071 378 V HN 0.329 nan 8.190 nan 0.000 0.441 379 S N 0.767 116.503 115.700 0.060 0.000 2.603 379 S HA 0.375 4.845 4.470 0.001 0.000 0.268 379 S C 1.130 175.809 174.600 0.132 0.000 1.317 379 S CA -0.423 57.823 58.200 0.077 0.000 1.012 379 S CB 0.889 64.154 63.200 0.108 0.000 0.926 379 S HN 0.801 nan 8.310 nan 0.000 0.539 380 R N 1.275 121.656 120.500 -0.198 0.000 2.154 380 R HA -0.140 4.200 4.340 0.001 0.000 0.248 380 R C 1.956 178.420 176.300 0.273 0.000 1.155 380 R CA 1.732 57.647 56.100 -0.308 0.000 0.979 380 R CB -0.502 29.500 30.300 -0.497 0.000 0.869 380 R HN 0.762 nan 8.270 nan 0.000 0.452 381 S N -0.457 115.376 115.700 0.222 0.000 2.650 381 S HA 0.004 4.474 4.470 0.001 0.000 0.219 381 S C 0.207 174.919 174.600 0.187 0.000 0.960 381 S CA -0.414 57.898 58.200 0.186 0.000 0.925 381 S CB -0.178 63.098 63.200 0.127 0.000 0.775 381 S HN 0.187 nan 8.310 nan 0.000 0.525 382 F N 3.439 123.495 119.950 0.177 0.000 2.420 382 F HA 0.609 5.137 4.527 0.001 0.000 0.352 382 F C -0.211 175.725 175.800 0.227 0.000 1.108 382 F CA -1.060 57.060 58.000 0.199 0.000 1.162 382 F CB 0.730 39.850 39.000 0.202 0.000 1.118 382 F HN 0.084 nan 8.300 nan 0.000 0.510 383 N N 4.860 123.432 118.700 -0.214 0.000 2.448 383 N HA 0.165 4.905 4.740 0.001 0.000 0.279 383 N C -0.153 175.367 175.510 0.017 0.000 1.025 383 N CA -0.699 52.312 53.050 -0.065 0.000 0.898 383 N CB 0.670 38.971 38.487 -0.310 0.000 1.303 383 N HN 0.656 nan 8.380 nan 0.000 0.495 384 N N 1.780 120.635 118.700 0.259 0.000 2.461 384 N HA 0.058 4.799 4.740 0.001 0.000 0.188 384 N C 0.657 176.459 175.510 0.486 0.000 1.134 384 N CA -0.247 53.047 53.050 0.407 0.000 0.878 384 N CB -0.282 38.464 38.487 0.431 0.000 0.972 384 N HN 0.482 nan 8.380 nan 0.000 0.456 385 G N -0.193 108.834 108.800 0.378 0.000 2.594 385 G HA2 0.473 4.434 3.960 0.001 0.000 0.243 385 G HA3 0.473 4.434 3.960 0.001 0.000 0.243 385 G C -0.203 174.902 174.900 0.343 0.000 1.229 385 G CA -0.023 45.243 45.100 0.276 0.000 0.843 385 G HN 0.451 nan 8.290 nan 0.000 0.578 386 A N 0.818 123.618 122.820 -0.033 0.000 2.351 386 A HA 0.397 4.718 4.320 0.001 0.000 0.257 386 A C 1.545 178.914 177.584 -0.359 0.000 1.087 386 A CA -0.079 51.721 52.037 -0.395 0.000 0.798 386 A CB 0.492 18.761 19.000 -1.219 0.000 1.033 386 A HN 0.793 nan 8.150 nan 0.000 0.488 387 K N 0.844 121.069 120.400 -0.292 0.000 2.077 387 K HA -0.196 4.124 4.320 0.001 0.000 0.213 387 K C 1.587 178.191 176.600 0.006 0.000 1.051 387 K CA 2.799 59.044 56.287 -0.071 0.000 0.929 387 K CB -0.221 32.228 32.500 -0.084 0.000 0.715 387 K HN 0.959 nan 8.250 nan 0.000 0.451 388 W N -0.033 121.311 121.300 0.074 0.000 2.800 388 W HA 0.194 4.855 4.660 0.000 0.000 0.249 388 W C 0.253 176.840 176.519 0.112 0.000 1.294 388 W CA -0.311 57.083 57.345 0.081 0.000 1.402 388 W CB -0.657 28.852 29.460 0.082 0.000 1.126 388 W HN -0.102 nan 8.180 nan 0.000 0.652 389 S N 2.127 117.777 115.700 -0.084 0.000 2.544 389 S HA 0.164 4.634 4.470 0.001 0.000 0.290 389 S C -0.144 174.538 174.600 0.135 0.000 1.276 389 S CA 0.311 58.514 58.200 0.006 0.000 1.075 389 S CB 0.522 63.614 63.200 -0.179 0.000 0.849 389 S HN 0.222 nan 8.310 nan 0.000 0.494 390 S N 5.497 121.300 115.700 0.170 0.000 2.575 390 S HA 0.465 4.935 4.470 0.001 0.000 0.278 390 S C -1.351 173.339 174.600 0.150 0.000 1.139 390 S CA -0.618 57.679 58.200 0.161 0.000 0.954 390 S CB 0.742 64.048 63.200 0.178 0.000 1.054 390 S HN 0.860 nan 8.310 nan 0.000 0.483 391 W N 5.464 126.795 121.300 0.052 0.000 1.844 391 W HA 0.344 5.004 4.660 0.000 0.000 0.310 391 W C 0.210 176.779 176.519 0.084 0.000 0.760 391 W CA -0.824 56.544 57.345 0.037 0.000 2.103 391 W CB -0.083 29.371 29.460 -0.010 0.000 2.217 391 W HN 0.723 nan 8.180 nan 0.000 0.408 392 E N 2.017 122.453 120.200 0.393 0.000 2.529 392 E HA -0.108 4.242 4.350 0.001 0.000 0.259 392 E C -0.759 176.101 176.600 0.433 0.000 0.966 392 E CA 1.103 57.708 56.400 0.341 0.000 0.937 392 E CB 0.717 30.605 29.700 0.314 0.000 0.923 392 E HN 0.391 nan 8.360 nan 0.000 0.468 393 Q N 3.088 123.076 119.800 0.314 0.000 2.263 393 Q HA 0.275 4.616 4.340 0.001 0.000 0.266 393 Q C -1.411 174.690 176.000 0.169 0.000 1.002 393 Q CA -0.640 55.303 55.803 0.234 0.000 0.790 393 Q CB 1.662 30.461 28.738 0.102 0.000 1.272 393 Q HN 0.478 nan 8.270 nan 0.000 0.435 394 Y N -1.012 119.283 120.300 -0.010 0.000 2.499 394 Y HA 0.877 5.427 4.550 0.001 0.000 0.347 394 Y C -0.503 175.304 175.900 -0.155 0.000 0.987 394 Y CA -1.020 57.003 58.100 -0.128 0.000 1.044 394 Y CB 1.776 40.151 38.460 -0.142 0.000 1.245 394 Y HN 0.420 nan 8.280 nan 0.000 0.461 395 T N 0.975 115.448 114.554 -0.136 0.000 2.900 395 T HA 0.853 5.204 4.350 0.001 0.000 0.295 395 T C -0.975 173.653 174.700 -0.120 0.000 1.044 395 T CA -0.937 61.057 62.100 -0.175 0.000 0.995 395 T CB 2.204 70.939 68.868 -0.221 0.000 1.072 395 T HN 1.209 nan 8.240 nan 0.000 0.473 396 R N 0.159 120.632 120.500 -0.045 0.000 2.629 396 R HA 0.736 5.076 4.340 0.001 0.000 0.266 396 R C -1.791 174.539 176.300 0.050 0.000 1.051 396 R CA -0.724 55.418 56.100 0.070 0.000 0.895 396 R CB 1.552 32.005 30.300 0.255 0.000 1.246 396 R HN 0.670 nan 8.270 nan 0.000 0.459 397 T N 1.633 116.264 114.554 0.127 0.000 2.952 397 T HA 0.515 4.866 4.350 0.001 0.000 0.305 397 T C -1.248 173.605 174.700 0.255 0.000 1.064 397 T CA -0.729 61.472 62.100 0.168 0.000 1.008 397 T CB 1.877 70.856 68.868 0.184 0.000 1.078 397 T HN 0.365 nan 8.240 nan 0.000 0.459 398 V N 4.140 124.224 119.914 0.282 0.000 2.588 398 V HA 0.872 4.993 4.120 0.001 0.000 0.304 398 V C -0.962 175.307 176.094 0.292 0.000 1.042 398 V CA -0.950 61.467 62.300 0.195 0.000 0.877 398 V CB 1.103 33.034 31.823 0.181 0.000 0.996 398 V HN 0.927 nan 8.190 nan 0.000 0.425 399 F N 2.022 122.062 119.950 0.150 0.000 2.668 399 F HA 1.006 5.534 4.527 0.001 0.000 0.309 399 F C -0.467 175.406 175.800 0.122 0.000 1.117 399 F CA -1.154 56.929 58.000 0.139 0.000 0.951 399 F CB 1.518 40.604 39.000 0.144 0.000 1.323 399 F HN 0.669 nan 8.300 nan 0.000 0.451 400 A N 1.755 124.788 122.820 0.355 0.000 2.454 400 A HA 0.846 5.167 4.320 0.001 0.000 0.302 400 A C -1.759 176.002 177.584 0.296 0.000 1.079 400 A CA -0.933 51.258 52.037 0.257 0.000 0.731 400 A CB 1.668 20.741 19.000 0.122 0.000 1.299 400 A HN 0.895 nan 8.150 nan 0.000 0.413 401 N N -0.750 118.096 118.700 0.243 0.000 2.242 401 N HA 0.687 5.427 4.740 0.001 0.000 0.292 401 N C -1.630 173.956 175.510 0.128 0.000 1.125 401 N CA -0.397 52.767 53.050 0.189 0.000 0.783 401 N CB 2.462 41.079 38.487 0.216 0.000 1.558 401 N HN 0.566 nan 8.380 nan 0.000 0.472 402 L N 1.258 122.533 121.223 0.087 0.000 2.470 402 L HA 0.508 4.848 4.340 0.001 0.000 0.268 402 L C -1.431 175.463 176.870 0.041 0.000 0.964 402 L CA -0.374 54.502 54.840 0.059 0.000 0.839 402 L CB 1.619 43.697 42.059 0.032 0.000 1.276 402 L HN 0.699 nan 8.230 nan 0.000 0.403 403 E N 2.521 122.749 120.200 0.047 0.000 2.293 403 E HA 0.532 4.882 4.350 0.001 0.000 0.270 403 E C -1.587 175.051 176.600 0.064 0.000 0.879 403 E CA -0.874 55.546 56.400 0.033 0.000 0.756 403 E CB 2.175 31.890 29.700 0.024 0.000 1.208 403 E HN 0.652 nan 8.360 nan 0.000 0.428 404 H N 1.506 120.508 119.070 -0.113 0.000 2.572 404 H HA 0.443 4.999 4.556 0.000 0.000 0.359 404 H C -1.423 173.779 175.328 -0.209 0.000 1.134 404 H CA -0.867 55.046 56.048 -0.225 0.000 1.187 404 H CB 1.554 31.061 29.762 -0.426 0.000 1.597 404 H HN 0.550 nan 8.280 nan 0.000 0.524 405 N N 2.950 121.291 118.700 -0.597 0.000 2.456 405 N HA 0.263 5.004 4.740 0.001 0.000 0.288 405 N C -1.160 173.812 175.510 -0.898 0.000 1.059 405 N CA -0.327 52.435 53.050 -0.479 0.000 0.946 405 N CB 0.868 39.224 38.487 -0.218 0.000 1.150 405 N HN 0.273 nan 8.380 nan 0.000 0.479 406 F N 0.625 120.446 119.950 -0.216 0.000 2.399 406 F HA 0.467 4.994 4.527 0.001 0.000 0.334 406 F C 0.901 176.689 175.800 -0.020 0.000 1.097 406 F CA -1.252 56.690 58.000 -0.097 0.000 1.076 406 F CB 0.995 40.022 39.000 0.045 0.000 1.162 406 F HN 0.425 nan 8.300 nan 0.000 0.495 407 A N 2.917 125.831 122.820 0.157 0.000 2.618 407 A HA 0.241 4.561 4.320 0.001 0.000 0.293 407 A C 0.625 178.304 177.584 0.158 0.000 1.413 407 A CA 0.481 52.592 52.037 0.123 0.000 1.074 407 A CB -0.711 18.345 19.000 0.093 0.000 1.087 407 A HN 0.863 nan 8.150 nan 0.000 0.553 408 N N -0.020 118.788 118.700 0.181 0.000 2.488 408 N HA -0.013 4.727 4.740 0.001 0.000 0.320 408 N C 0.886 176.568 175.510 0.287 0.000 0.849 408 N CA 1.498 54.689 53.050 0.234 0.000 1.241 408 N CB -0.553 38.103 38.487 0.283 0.000 2.389 408 N HN 1.310 nan 8.380 nan 0.000 1.185 409 G N -0.211 108.734 108.800 0.241 0.000 2.175 409 G HA2 -0.246 3.714 3.960 0.001 0.000 0.244 409 G HA3 -0.246 3.714 3.960 0.001 0.000 0.244 409 G C -0.197 174.802 174.900 0.164 0.000 0.982 409 G CA 0.362 45.565 45.100 0.172 0.000 0.641 409 G HN 0.178 nan 8.290 nan 0.000 0.527 410 W N -0.595 120.777 121.300 0.120 0.000 2.253 410 W HA 0.662 5.322 4.660 0.000 0.000 0.348 410 W C 0.356 177.007 176.519 0.219 0.000 1.229 410 W CA 0.083 57.517 57.345 0.148 0.000 1.335 410 W CB 1.513 31.030 29.460 0.095 0.000 1.165 410 W HN 0.567 nan 8.180 nan 0.000 0.631 411 V N 1.738 121.893 119.914 0.402 0.000 2.760 411 V HA 0.914 5.035 4.120 0.001 0.000 0.309 411 V C -0.503 175.785 176.094 0.322 0.000 1.077 411 V CA -0.701 61.785 62.300 0.309 0.000 0.910 411 V CB 1.400 33.297 31.823 0.123 0.000 1.008 411 V HN 0.643 nan 8.190 nan 0.000 0.424 412 G N 3.797 112.780 108.800 0.306 0.000 2.388 412 G HA2 0.657 4.617 3.960 0.001 0.000 0.330 412 G HA3 0.657 4.617 3.960 0.001 0.000 0.330 412 G C -1.180 173.670 174.900 -0.084 0.000 1.142 412 G CA -0.809 44.383 45.100 0.152 0.000 0.908 412 G HN 1.063 nan 8.290 nan 0.000 0.473 413 K N 1.261 121.438 120.400 -0.371 0.000 2.471 413 K HA 0.595 4.916 4.320 0.001 0.000 0.252 413 K C -1.368 175.088 176.600 -0.240 0.000 0.938 413 K CA -0.581 55.486 56.287 -0.366 0.000 0.796 413 K CB 2.318 34.436 32.500 -0.636 0.000 1.161 413 K HN 0.289 nan 8.250 nan 0.000 0.425 414 V N 4.659 124.541 119.914 -0.053 0.000 2.448 414 V HA 0.377 4.498 4.120 0.001 0.000 0.295 414 V C -0.842 175.303 176.094 0.085 0.000 1.025 414 V CA -0.678 61.642 62.300 0.032 0.000 0.859 414 V CB 1.575 33.425 31.823 0.045 0.000 0.988 414 V HN 0.790 nan 8.190 nan 0.000 0.431 415 Q N 4.415 124.291 119.800 0.126 0.000 2.330 415 Q HA 0.649 4.989 4.340 0.001 0.000 0.269 415 Q C -1.649 174.451 176.000 0.166 0.000 1.022 415 Q CA -0.852 55.044 55.803 0.156 0.000 0.796 415 Q CB 2.983 31.818 28.738 0.161 0.000 1.271 415 Q HN 0.475 nan 8.270 nan 0.000 0.450 416 L N 2.375 123.713 121.223 0.192 0.000 2.333 416 L HA 0.438 4.779 4.340 0.001 0.000 0.280 416 L C -1.009 176.014 176.870 0.254 0.000 1.004 416 L CA -0.172 54.785 54.840 0.196 0.000 0.820 416 L CB 1.730 43.888 42.059 0.165 0.000 1.247 416 L HN 0.516 nan 8.230 nan 0.000 0.416 417 D N 0.888 121.429 120.400 0.235 0.000 2.481 417 D HA 0.339 4.980 4.640 0.001 0.000 0.244 417 D C -1.022 175.455 176.300 0.296 0.000 1.057 417 D CA -0.130 54.029 54.000 0.265 0.000 0.848 417 D CB 1.448 42.364 40.800 0.192 0.000 1.388 417 D HN 0.398 nan 8.370 nan 0.000 0.475 418 H N 2.281 121.460 119.070 0.182 0.000 2.887 418 H HA 0.360 4.916 4.556 0.000 0.000 0.300 418 H C -1.107 174.303 175.328 0.136 0.000 1.038 418 H CA -0.767 55.367 56.048 0.143 0.000 1.352 418 H CB 0.975 30.811 29.762 0.123 0.000 1.473 418 H HN 0.157 nan 8.280 nan 0.000 0.503 419 K N 4.957 125.288 120.400 -0.115 0.000 2.156 419 K HA 0.516 4.836 4.320 0.001 0.000 0.254 419 K C -1.235 175.225 176.600 -0.234 0.000 0.950 419 K CA -0.560 55.648 56.287 -0.132 0.000 0.849 419 K CB 1.228 33.698 32.500 -0.050 0.000 1.100 419 K HN 0.543 nan 8.250 nan 0.000 0.434 420 I N 3.256 123.712 120.570 -0.190 0.000 2.534 420 I HA 0.279 4.449 4.170 0.001 0.000 0.288 420 I C -1.262 174.742 176.117 -0.187 0.000 1.077 420 I CA -0.932 60.267 61.300 -0.167 0.000 1.051 420 I CB 2.194 40.130 38.000 -0.107 0.000 1.234 420 I HN 0.658 nan 8.210 nan 0.000 0.425 421 N N 3.712 122.279 118.700 -0.222 0.000 2.399 421 N HA 0.713 5.453 4.740 0.001 0.000 0.280 421 N C -0.520 174.745 175.510 -0.408 0.000 1.008 421 N CA -0.380 52.497 53.050 -0.289 0.000 0.894 421 N CB 2.304 40.666 38.487 -0.208 0.000 1.273 421 N HN 0.734 nan 8.380 nan 0.000 0.486 422 G N 0.589 108.934 108.800 -0.758 0.000 2.605 422 G HA2 0.639 4.599 3.960 0.001 0.000 0.296 422 G HA3 0.639 4.599 3.960 0.001 0.000 0.296 422 G C -1.748 172.797 174.900 -0.592 0.000 1.304 422 G CA -0.585 43.931 45.100 -0.975 0.000 0.941 422 G HN 0.485 nan 8.290 nan 0.000 0.475 423 Y N -1.144 119.068 120.300 -0.147 0.000 2.581 423 Y HA 0.806 5.356 4.550 0.001 0.000 0.345 423 Y C -0.853 175.217 175.900 0.284 0.000 1.036 423 Y CA -1.501 56.687 58.100 0.147 0.000 1.042 423 Y CB 2.255 40.856 38.460 0.234 0.000 1.289 423 Y HN 0.649 nan 8.280 nan 0.000 0.471 424 H N 1.794 121.077 119.070 0.354 0.000 3.162 424 H HA 0.635 5.191 4.556 0.001 0.000 0.309 424 H C -1.940 173.414 175.328 0.042 0.000 1.156 424 H CA -0.401 55.747 56.048 0.166 0.000 1.586 424 H CB 1.169 31.009 29.762 0.130 0.000 1.740 424 H HN 1.095 nan 8.280 nan 0.000 0.525 425 A N 6.761 129.431 122.820 -0.251 0.000 2.978 425 A HA 0.362 4.682 4.320 0.001 0.000 0.341 425 A C -2.847 174.397 177.584 -0.567 0.000 1.105 425 A CA -1.497 50.262 52.037 -0.464 0.000 0.819 425 A CB 0.441 18.850 19.000 -0.985 0.000 1.080 425 A HN 0.358 nan 8.150 nan 0.000 0.476 426 P HA 0.329 nan 4.420 nan 0.000 0.274 426 P C -0.471 176.790 177.300 -0.064 0.000 1.470 426 P CA 0.209 63.002 63.100 -0.510 0.000 1.001 426 P CB 0.425 31.922 31.700 -0.339 0.000 1.332 427 L N 2.345 123.418 121.223 -0.250 0.000 2.379 427 L HA 0.854 5.194 4.340 0.001 0.000 0.269 427 L C 1.008 178.011 176.870 0.220 0.000 1.084 427 L CA -0.475 54.255 54.840 -0.183 0.000 0.802 427 L CB 1.293 42.828 42.059 -0.872 0.000 1.175 427 L HN 0.349 nan 8.230 nan 0.000 0.448 428 G N 0.927 109.802 108.800 0.125 0.000 2.413 428 G HA2 0.653 4.613 3.960 0.001 0.000 0.285 428 G HA3 0.653 4.613 3.960 0.001 0.000 0.285 428 G C -1.502 173.465 174.900 0.112 0.000 1.337 428 G CA -0.006 45.179 45.100 0.141 0.000 1.324 428 G HN 0.837 nan 8.290 nan 0.000 0.611 429 A N 2.196 125.201 122.820 0.307 0.000 2.587 429 A HA 0.825 5.145 4.320 0.001 0.000 0.293 429 A C -0.633 177.049 177.584 0.165 0.000 1.087 429 A CA -0.789 51.410 52.037 0.271 0.000 0.692 429 A CB 1.095 20.315 19.000 0.368 0.000 1.291 429 A HN 0.760 nan 8.150 nan 0.000 0.407 430 I N 2.171 122.780 120.570 0.066 0.000 2.421 430 I HA 0.298 4.468 4.170 0.001 0.000 0.291 430 I C 0.241 176.448 176.117 0.149 0.000 1.089 430 I CA 0.572 61.879 61.300 0.012 0.000 1.354 430 I CB 0.028 37.982 38.000 -0.077 0.000 1.413 430 I HN 0.691 nan 8.210 nan 0.000 0.513 431 M N 4.827 124.519 119.600 0.153 0.000 2.619 431 M HA 0.935 5.415 4.480 0.001 0.000 0.297 431 M C -0.026 176.416 176.300 0.235 0.000 1.229 431 M CA -0.608 54.764 55.300 0.119 0.000 0.860 431 M CB 2.354 34.906 32.600 -0.082 0.000 1.741 431 M HN 0.633 nan 8.290 nan 0.000 0.462 432 G N 0.921 109.744 108.800 0.038 0.000 2.566 432 G HA2 -0.079 3.881 3.960 0.001 0.000 0.599 432 G HA3 -0.079 3.881 3.960 0.001 0.000 0.599 432 G C -1.729 172.933 174.900 -0.397 0.000 1.292 432 G CA -0.733 44.265 45.100 -0.170 0.000 0.922 432 G HN 0.869 nan 8.290 nan 0.000 0.514 433 D N 0.837 120.829 120.400 -0.679 0.000 2.383 433 D HA 0.428 5.068 4.640 0.001 0.000 0.245 433 D C -0.180 175.531 176.300 -0.981 0.000 1.263 433 D CA 0.737 54.369 54.000 -0.614 0.000 0.936 433 D CB -0.143 40.369 40.800 -0.480 0.000 1.053 433 D HN 0.416 nan 8.370 nan 0.000 0.507 434 W N 1.846 123.014 121.300 -0.219 0.000 2.902 434 W HA 0.347 5.007 4.660 0.001 0.000 0.346 434 W C -1.991 174.134 176.519 -0.657 0.000 1.139 434 W CA -2.115 55.006 57.345 -0.373 0.000 1.139 434 W CB 0.802 30.052 29.460 -0.350 0.000 1.439 434 W HN 0.042 nan 8.180 nan 0.000 0.558 435 P HA 0.254 nan 4.420 nan 0.000 0.275 435 P C -0.604 176.740 177.300 0.073 0.000 1.266 435 P CA -0.053 62.953 63.100 -0.157 0.000 0.793 435 P CB 0.494 32.075 31.700 -0.198 0.000 1.074 436 A N 0.460 123.408 122.820 0.213 0.000 2.239 436 A HA 0.516 4.836 4.320 0.001 0.000 0.303 436 A C -1.586 176.036 177.584 0.064 0.000 1.114 436 A CA -1.487 50.637 52.037 0.144 0.000 0.871 436 A CB -0.908 18.239 19.000 0.245 0.000 1.201 436 A HN 0.301 nan 8.150 nan 0.000 0.506 437 P HA -0.115 nan 4.420 nan 0.000 0.219 437 P C 0.132 177.453 177.300 0.036 0.000 1.146 437 P CA 1.510 64.624 63.100 0.023 0.000 0.808 437 P CB -0.066 31.641 31.700 0.012 0.000 0.779 438 D N -1.690 118.738 120.400 0.046 0.000 2.538 438 D HA 0.034 4.674 4.640 0.001 0.000 0.234 438 D C 0.356 176.693 176.300 0.061 0.000 1.191 438 D CA -0.661 53.368 54.000 0.047 0.000 0.828 438 D CB -1.447 39.377 40.800 0.040 0.000 0.981 438 D HN -0.017 nan 8.370 nan 0.000 0.490 439 N N -0.023 118.722 118.700 0.075 0.000 2.732 439 N HA -0.261 4.480 4.740 0.001 0.000 0.250 439 N C -0.583 174.997 175.510 0.118 0.000 1.097 439 N CA 1.143 54.261 53.050 0.113 0.000 0.812 439 N CB -1.318 37.246 38.487 0.129 0.000 1.148 439 N HN 0.489 nan 8.380 nan 0.000 0.572 440 S N -1.556 114.184 115.700 0.067 0.000 2.681 440 S HA 0.896 5.366 4.470 0.001 0.000 0.270 440 S C 0.274 174.817 174.600 -0.094 0.000 1.209 440 S CA -0.056 58.145 58.200 0.001 0.000 0.988 440 S CB 2.269 65.449 63.200 -0.033 0.000 1.006 440 S HN 0.958 nan 8.310 nan 0.000 0.558 441 A N 0.260 122.871 122.820 -0.347 0.000 2.540 441 A HA 0.708 5.028 4.320 0.001 0.000 0.291 441 A C -1.681 175.232 177.584 -1.118 0.000 1.083 441 A CA -1.114 50.365 52.037 -0.931 0.000 0.650 441 A CB 0.850 19.552 19.000 -0.496 0.000 1.292 441 A HN 0.779 nan 8.150 nan 0.000 0.435 442 K N 0.348 119.741 120.400 -1.679 0.000 2.318 442 K HA 0.655 4.976 4.320 0.001 0.000 0.249 442 K C -1.222 175.135 176.600 -0.405 0.000 0.942 442 K CA -0.826 54.984 56.287 -0.796 0.000 0.808 442 K CB 1.971 34.146 32.500 -0.542 0.000 1.189 442 K HN 0.425 nan 8.250 nan 0.000 0.428 443 I N 2.204 122.678 120.570 -0.161 0.000 2.428 443 I HA 0.215 4.385 4.170 0.001 0.000 0.296 443 I C -0.113 176.094 176.117 0.150 0.000 0.985 443 I CA -0.997 60.319 61.300 0.027 0.000 1.260 443 I CB 1.602 39.704 38.000 0.170 0.000 1.389 443 I HN 0.283 nan 8.210 nan 0.000 0.484 444 V N 5.704 125.739 119.914 0.202 0.000 2.370 444 V HA 0.714 4.835 4.120 0.001 0.000 0.283 444 V C 0.193 176.561 176.094 0.457 0.000 1.023 444 V CA -0.582 61.874 62.300 0.261 0.000 0.857 444 V CB 1.268 33.156 31.823 0.108 0.000 0.985 444 V HN 0.872 nan 8.190 nan 0.000 0.443 445 A N 5.488 128.605 122.820 0.495 0.000 2.356 445 A HA 0.897 5.217 4.320 0.001 0.000 0.310 445 A C -0.708 177.249 177.584 0.622 0.000 1.075 445 A CA -0.570 51.833 52.037 0.609 0.000 0.746 445 A CB 1.489 20.832 19.000 0.571 0.000 1.221 445 A HN 0.775 nan 8.150 nan 0.000 0.443 446 Q N 0.729 120.869 119.800 0.567 0.000 2.435 446 Q HA 0.466 4.806 4.340 0.001 0.000 0.282 446 Q C -1.386 174.381 176.000 -0.389 0.000 1.020 446 Q CA -0.852 55.102 55.803 0.251 0.000 0.820 446 Q CB 3.021 31.956 28.738 0.328 0.000 1.436 446 Q HN 0.657 nan 8.270 nan 0.000 0.395 447 K N 1.833 121.758 120.400 -0.793 0.000 2.426 447 K HA 0.476 4.796 4.320 0.001 0.000 0.254 447 K C -1.883 174.119 176.600 -0.996 0.000 0.936 447 K CA -0.402 55.203 56.287 -1.136 0.000 0.801 447 K CB 1.076 32.493 32.500 -1.805 0.000 1.139 447 K HN 0.562 nan 8.250 nan 0.000 0.424 448 Y N 1.227 121.297 120.300 -0.383 0.000 2.350 448 Y HA 0.297 4.847 4.550 0.000 0.000 0.338 448 Y C 0.284 176.223 175.900 0.064 0.000 0.961 448 Y CA -0.670 57.395 58.100 -0.057 0.000 1.100 448 Y CB 2.238 40.658 38.460 -0.067 0.000 1.179 448 Y HN 0.549 nan 8.280 nan 0.000 0.454 449 T N -0.117 114.606 114.554 0.282 0.000 2.893 449 T HA 0.964 5.314 4.350 0.001 0.000 0.293 449 T C -0.239 174.405 174.700 -0.093 0.000 1.027 449 T CA -0.619 61.516 62.100 0.058 0.000 0.988 449 T CB 1.981 70.792 68.868 -0.096 0.000 1.043 449 T HN 1.096 nan 8.240 nan 0.000 0.461 450 G N 0.768 109.130 108.800 -0.730 0.000 2.356 450 G HA2 0.543 4.504 3.960 0.001 0.000 0.294 450 G HA3 0.543 4.504 3.960 0.001 0.000 0.294 450 G C -2.159 172.407 174.900 -0.556 0.000 1.423 450 G CA -0.817 44.011 45.100 -0.453 0.000 0.806 450 G HN 0.869 nan 8.290 nan 0.000 0.527 451 E N -1.074 119.027 120.200 -0.166 0.000 2.367 451 E HA 0.671 5.021 4.350 0.001 0.000 0.273 451 E C -1.223 175.383 176.600 0.010 0.000 0.903 451 E CA -0.697 55.615 56.400 -0.145 0.000 0.764 451 E CB 2.483 32.149 29.700 -0.057 0.000 1.252 451 E HN 0.406 nan 8.360 nan 0.000 0.446 452 T N 2.649 117.172 114.554 -0.052 0.000 2.809 452 T HA 0.400 4.751 4.350 0.001 0.000 0.284 452 T C -0.752 173.939 174.700 -0.014 0.000 0.992 452 T CA -0.878 61.233 62.100 0.018 0.000 0.957 452 T CB 0.976 69.820 68.868 -0.038 0.000 0.942 452 T HN 0.213 nan 8.240 nan 0.000 0.439 453 K N 1.810 122.233 120.400 0.038 0.000 2.164 453 K HA 0.756 5.076 4.320 0.001 0.000 0.258 453 K C -0.596 176.061 176.600 0.094 0.000 0.951 453 K CA -0.902 55.404 56.287 0.031 0.000 0.844 453 K CB 1.696 34.260 32.500 0.106 0.000 1.099 453 K HN 0.414 nan 8.250 nan 0.000 0.435 454 S N 1.507 117.247 115.700 0.067 0.000 2.614 454 S HA 0.291 4.762 4.470 0.001 0.000 0.288 454 S C -1.105 173.613 174.600 0.197 0.000 1.137 454 S CA -0.930 57.353 58.200 0.139 0.000 0.992 454 S CB 1.011 64.271 63.200 0.099 0.000 1.026 454 S HN 0.555 nan 8.310 nan 0.000 0.486 455 N N 1.287 120.144 118.700 0.261 0.000 2.446 455 N HA 0.554 5.294 4.740 0.001 0.000 0.265 455 N C -1.116 174.561 175.510 0.278 0.000 0.975 455 N CA -0.331 52.884 53.050 0.274 0.000 0.928 455 N CB 1.428 40.062 38.487 0.246 0.000 1.160 455 N HN 0.358 nan 8.380 nan 0.000 0.495 456 S N 1.566 117.404 115.700 0.231 0.000 2.568 456 S HA 0.593 5.064 4.470 0.001 0.000 0.293 456 S C -1.454 173.264 174.600 0.195 0.000 1.089 456 S CA -0.633 57.693 58.200 0.209 0.000 0.945 456 S CB 1.659 64.956 63.200 0.162 0.000 1.077 456 S HN 0.371 nan 8.310 nan 0.000 0.485 457 L N 2.375 123.712 121.223 0.190 0.000 2.406 457 L HA 0.663 5.004 4.340 0.001 0.000 0.272 457 L C -1.691 175.283 176.870 0.174 0.000 0.980 457 L CA -0.137 54.808 54.840 0.176 0.000 0.831 457 L CB 1.615 43.783 42.059 0.181 0.000 1.253 457 L HN 0.682 nan 8.230 nan 0.000 0.406 458 D N 5.398 125.907 120.400 0.181 0.000 2.479 458 D HA 0.338 4.978 4.640 0.001 0.000 0.246 458 D C -1.186 175.258 176.300 0.240 0.000 1.336 458 D CA -0.202 53.932 54.000 0.224 0.000 0.967 458 D CB 1.546 42.485 40.800 0.231 0.000 1.275 458 D HN 0.633 nan 8.370 nan 0.000 0.577 459 I N 2.126 122.828 120.570 0.219 0.000 2.460 459 I HA 0.711 4.881 4.170 0.001 0.000 0.298 459 I C -1.563 174.706 176.117 0.253 0.000 0.989 459 I CA -0.508 60.891 61.300 0.166 0.000 1.173 459 I CB 1.471 39.530 38.000 0.099 0.000 1.338 459 I HN 0.190 nan 8.210 nan 0.000 0.456 460 Y N 4.423 124.786 120.300 0.106 0.000 2.562 460 Y HA 0.810 5.360 4.550 0.000 0.000 0.345 460 Y C -1.919 174.057 175.900 0.126 0.000 1.045 460 Y CA -1.618 56.527 58.100 0.074 0.000 1.028 460 Y CB 1.099 39.625 38.460 0.109 0.000 1.297 460 Y HN 0.555 nan 8.280 nan 0.000 0.463 461 L N 2.905 124.297 121.223 0.282 0.000 2.346 461 L HA 0.819 5.159 4.340 0.001 0.000 0.276 461 L C -0.317 176.790 176.870 0.394 0.000 1.006 461 L CA -0.877 54.181 54.840 0.364 0.000 0.817 461 L CB 2.161 44.440 42.059 0.367 0.000 1.272 461 L HN 0.935 nan 8.230 nan 0.000 0.421 462 T N 0.816 115.531 114.554 0.268 0.000 2.933 462 T HA 0.863 5.213 4.350 0.001 0.000 0.305 462 T C -0.482 173.743 174.700 -0.791 0.000 1.092 462 T CA 0.007 62.009 62.100 -0.162 0.000 1.008 462 T CB 2.011 70.888 68.868 0.016 0.000 1.102 462 T HN 1.024 nan 8.240 nan 0.000 0.469 463 G N 3.562 111.450 108.800 -1.519 0.000 2.321 463 G HA2 0.602 4.563 3.960 0.001 0.000 0.296 463 G HA3 0.602 4.563 3.960 0.001 0.000 0.296 463 G C -3.553 170.640 174.900 -1.178 0.000 1.287 463 G CA -0.786 43.239 45.100 -1.790 0.000 0.846 463 G HN 0.710 nan 8.290 nan 0.000 0.508 464 P HA 0.806 nan 4.420 nan 0.000 0.283 464 P C -1.274 176.370 177.300 0.574 0.000 1.278 464 P CA -0.697 62.459 63.100 0.094 0.000 0.834 464 P CB 1.154 32.890 31.700 0.061 0.000 1.150 465 F N -2.861 117.219 119.950 0.216 0.000 2.693 465 F HA 0.540 5.068 4.527 0.000 0.000 0.309 465 F C -1.107 174.869 175.800 0.292 0.000 1.129 465 F CA -1.791 56.372 58.000 0.271 0.000 0.948 465 F CB 0.380 39.553 39.000 0.289 0.000 1.315 465 F HN 0.367 nan 8.300 nan 0.000 0.447 466 Q N 1.071 121.002 119.800 0.218 0.000 2.259 466 Q HA 0.554 4.894 4.340 0.001 0.000 0.249 466 Q C -1.311 174.753 176.000 0.106 0.000 0.914 466 Q CA -0.281 55.580 55.803 0.097 0.000 0.904 466 Q CB 2.119 30.900 28.738 0.071 0.000 1.213 466 Q HN 0.845 nan 8.270 nan 0.000 0.428 467 F N 2.073 122.054 119.950 0.052 0.000 2.334 467 F HA 0.363 4.890 4.527 0.000 0.000 0.269 467 F C -0.171 175.672 175.800 0.071 0.000 0.879 467 F CA -0.326 57.676 58.000 0.004 0.000 1.102 467 F CB 1.120 39.956 39.000 -0.272 0.000 1.032 467 F HN 0.515 nan 8.300 nan 0.000 0.782 468 L N 1.097 122.464 121.223 0.240 0.000 2.784 468 L HA 0.417 4.757 4.340 0.001 0.000 0.241 468 L C 0.722 177.620 176.870 0.047 0.000 1.352 468 L CA 0.055 54.926 54.840 0.052 0.000 0.911 468 L CB 0.826 42.980 42.059 0.159 0.000 1.227 468 L HN 0.416 nan 8.230 nan 0.000 0.501 469 G N 0.805 109.608 108.800 0.004 0.000 2.258 469 G HA2 -0.281 3.679 3.960 0.001 0.000 0.274 469 G HA3 -0.281 3.679 3.960 0.001 0.000 0.274 469 G C 0.285 175.183 174.900 -0.002 0.000 1.021 469 G CA 0.271 45.371 45.100 0.001 0.000 0.798 469 G HN 0.476 nan 8.290 nan 0.000 0.507 470 R N -1.000 119.499 120.500 -0.001 0.000 2.771 470 R HA 0.576 4.917 4.340 0.001 0.000 0.274 470 R C -1.180 174.911 176.300 -0.347 0.000 0.987 470 R CA -1.116 54.899 56.100 -0.143 0.000 0.908 470 R CB 1.427 31.625 30.300 -0.171 0.000 1.213 470 R HN 0.119 nan 8.270 nan 0.000 0.468 471 E N 1.220 121.190 120.200 -0.384 0.000 2.200 471 E HA 0.254 4.605 4.350 0.001 0.000 0.283 471 E C -1.016 175.250 176.600 -0.556 0.000 1.015 471 E CA -0.038 56.155 56.400 -0.345 0.000 0.819 471 E CB 0.664 30.295 29.700 -0.116 0.000 1.081 471 E HN 0.407 nan 8.360 nan 0.000 0.397 472 H N 0.986 119.978 119.070 -0.129 0.000 2.995 472 H HA 0.592 5.149 4.556 0.001 0.000 0.305 472 H C -0.370 174.972 175.328 0.022 0.000 1.510 472 H CA -0.977 54.993 56.048 -0.130 0.000 1.376 472 H CB 1.027 30.576 29.762 -0.354 0.000 1.918 472 H HN 0.449 nan 8.280 nan 0.000 0.709 473 E N 0.263 120.560 120.200 0.161 0.000 2.416 473 E HA 0.584 4.934 4.350 0.001 0.000 0.273 473 E C -1.587 175.019 176.600 0.009 0.000 0.935 473 E CA -1.140 55.309 56.400 0.081 0.000 0.784 473 E CB 2.653 32.317 29.700 -0.060 0.000 1.301 473 E HN 0.183 nan 8.360 nan 0.000 0.454 474 L N 0.823 121.961 121.223 -0.141 0.000 2.401 474 L HA 0.494 4.834 4.340 0.001 0.000 0.266 474 L C -1.633 175.158 176.870 -0.132 0.000 0.991 474 L CA -0.817 53.928 54.840 -0.158 0.000 0.818 474 L CB 2.366 44.292 42.059 -0.221 0.000 1.321 474 L HN 0.554 nan 8.230 nan 0.000 0.413 475 V N 4.232 124.123 119.914 -0.038 0.000 2.409 475 V HA 0.652 4.773 4.120 0.001 0.000 0.291 475 V C -0.547 175.550 176.094 0.005 0.000 1.020 475 V CA -0.796 61.514 62.300 0.018 0.000 0.848 475 V CB 1.591 33.437 31.823 0.039 0.000 0.990 475 V HN 0.585 nan 8.190 nan 0.000 0.430 476 V N 2.918 122.839 119.914 0.012 0.000 2.495 476 V HA 1.076 5.196 4.120 0.001 0.000 0.298 476 V C 0.055 175.993 176.094 -0.260 0.000 1.031 476 V CA 0.336 62.560 62.300 -0.126 0.000 0.871 476 V CB 1.340 33.131 31.823 -0.053 0.000 0.988 476 V HN 1.064 nan 8.190 nan 0.000 0.432 477 G N 2.474 110.813 108.800 -0.768 0.000 2.694 477 G HA2 0.696 4.657 3.960 0.001 0.000 0.290 477 G HA3 0.696 4.657 3.960 0.001 0.000 0.290 477 G C -1.024 173.508 174.900 -0.613 0.000 1.386 477 G CA -0.323 44.277 45.100 -0.833 0.000 0.872 477 G HN 1.133 nan 8.290 nan 0.000 0.475 478 T N -1.029 113.458 114.554 -0.112 0.000 2.993 478 T HA 0.652 5.002 4.350 0.001 0.000 0.312 478 T C -0.742 174.076 174.700 0.198 0.000 1.115 478 T CA -0.099 62.046 62.100 0.074 0.000 1.027 478 T CB 1.261 70.154 68.868 0.043 0.000 1.116 478 T HN 1.494 nan 8.240 nan 0.000 0.464 479 S N 2.931 118.761 115.700 0.217 0.000 2.538 479 S HA 0.905 5.375 4.470 0.001 0.000 0.288 479 S C -0.820 173.851 174.600 0.117 0.000 1.108 479 S CA -0.605 57.708 58.200 0.188 0.000 0.971 479 S CB 1.711 65.028 63.200 0.194 0.000 1.041 479 S HN 1.190 nan 8.310 nan 0.000 0.483 480 A N 1.648 124.536 122.820 0.112 0.000 2.393 480 A HA 0.886 5.206 4.320 0.001 0.000 0.306 480 A C -0.455 177.161 177.584 0.052 0.000 1.050 480 A CA -0.747 51.328 52.037 0.064 0.000 0.724 480 A CB 1.855 20.971 19.000 0.193 0.000 1.248 480 A HN 1.285 nan 8.150 nan 0.000 0.424 481 S N 1.252 116.856 115.700 -0.160 0.000 2.689 481 S HA 0.679 5.149 4.470 0.001 0.000 0.274 481 S C -1.893 172.521 174.600 -0.310 0.000 1.176 481 S CA -0.335 57.818 58.200 -0.078 0.000 1.014 481 S CB 0.048 63.222 63.200 -0.044 0.000 1.071 481 S HN 0.523 nan 8.310 nan 0.000 0.478 482 F N 3.436 123.420 119.950 0.058 0.000 2.445 482 F HA 0.574 5.101 4.527 0.000 0.000 0.348 482 F C 0.674 176.523 175.800 0.082 0.000 1.125 482 F CA -0.507 57.523 58.000 0.051 0.000 0.983 482 F CB 1.920 40.950 39.000 0.049 0.000 1.198 482 F HN 0.498 nan 8.300 nan 0.000 0.436 483 S N 1.590 117.418 115.700 0.213 0.000 2.638 483 S HA 0.642 5.112 4.470 0.001 0.000 0.302 483 S C -1.313 173.450 174.600 0.272 0.000 1.096 483 S CA -0.715 57.616 58.200 0.218 0.000 0.953 483 S CB 2.219 65.510 63.200 0.150 0.000 1.107 483 S HN 0.817 nan 8.310 nan 0.000 0.503 484 H N -0.044 119.119 119.070 0.155 0.000 3.287 484 H HA 0.263 4.819 4.556 0.001 0.000 0.329 484 H C -2.182 173.275 175.328 0.215 0.000 1.130 484 H CA -0.534 55.608 56.048 0.156 0.000 1.593 484 H CB 0.557 30.395 29.762 0.126 0.000 1.916 484 H HN 0.776 nan 8.280 nan 0.000 0.503 485 W N 6.830 128.179 121.300 0.081 0.000 2.335 485 W HA 0.399 5.059 4.660 0.001 0.000 0.307 485 W C -1.273 175.204 176.519 -0.071 0.000 1.117 485 W CA -0.567 56.759 57.345 -0.033 0.000 1.228 485 W CB 0.720 30.179 29.460 -0.002 0.000 1.240 485 W HN 0.560 nan 8.180 nan 0.000 0.468 486 E N 3.551 123.717 120.200 -0.056 0.000 2.288 486 E HA 0.740 5.090 4.350 0.001 0.000 0.268 486 E C -0.361 176.162 176.600 -0.127 0.000 0.885 486 E CA -0.961 55.305 56.400 -0.224 0.000 0.767 486 E CB 2.252 31.834 29.700 -0.196 0.000 1.220 486 E HN 0.628 nan 8.360 nan 0.000 0.427 487 G N 1.511 110.209 108.800 -0.170 0.000 2.547 487 G HA2 0.456 4.417 3.960 0.001 0.000 0.291 487 G HA3 0.456 4.417 3.960 0.001 0.000 0.291 487 G C -1.571 173.288 174.900 -0.069 0.000 1.471 487 G CA -0.786 44.302 45.100 -0.020 0.000 0.798 487 G HN 0.266 nan 8.290 nan 0.000 0.504 488 K N 0.149 120.524 120.400 -0.041 0.000 2.371 488 K HA 0.759 5.079 4.320 0.001 0.000 0.251 488 K C -0.848 175.645 176.600 -0.177 0.000 0.934 488 K CA -0.759 55.363 56.287 -0.274 0.000 0.798 488 K CB 2.459 34.728 32.500 -0.385 0.000 1.204 488 K HN 0.412 nan 8.250 nan 0.000 0.427 489 S N 1.102 116.523 115.700 -0.467 0.000 2.536 489 S HA 0.552 5.023 4.470 0.001 0.000 0.298 489 S C -1.460 172.579 174.600 -0.936 0.000 1.083 489 S CA -0.731 57.171 58.200 -0.496 0.000 0.995 489 S CB 0.634 63.634 63.200 -0.333 0.000 1.058 489 S HN 0.411 nan 8.310 nan 0.000 0.488 490 Y N 1.430 121.235 120.300 -0.825 0.000 2.329 490 Y HA 0.420 4.971 4.550 0.001 0.000 0.328 490 Y C -0.297 175.400 175.900 -0.338 0.000 0.992 490 Y CA -0.990 56.744 58.100 -0.610 0.000 1.151 490 Y CB 1.187 39.404 38.460 -0.405 0.000 1.150 490 Y HN 0.955 nan 8.280 nan 0.000 0.450 491 W N 0.500 121.845 121.300 0.075 0.000 1.762 491 W HA 0.429 5.089 4.660 0.001 0.000 0.260 491 W C -1.218 175.370 176.519 0.116 0.000 0.846 491 W CA -0.723 56.693 57.345 0.118 0.000 1.326 491 W CB -0.219 29.300 29.460 0.099 0.000 1.010 491 W HN 0.121 nan 8.180 nan 0.000 0.482 492 N N 2.532 121.393 118.700 0.268 0.000 2.501 492 N HA 0.388 5.128 4.740 0.001 0.000 0.245 492 N C -1.292 174.304 175.510 0.144 0.000 0.974 492 N CA -0.114 53.065 53.050 0.215 0.000 0.941 492 N CB 1.499 40.079 38.487 0.154 0.000 1.122 492 N HN -0.007 nan 8.380 nan 0.000 0.507 493 L N 1.056 122.355 121.223 0.126 0.000 2.296 493 L HA 0.497 4.837 4.340 0.001 0.000 0.286 493 L C 1.003 177.898 176.870 0.041 0.000 1.023 493 L CA -0.750 54.115 54.840 0.042 0.000 0.812 493 L CB 1.024 43.066 42.059 -0.027 0.000 1.223 493 L HN 0.100 nan 8.230 nan 0.000 0.421 494 R N 3.194 123.696 120.500 0.004 0.000 2.481 494 R HA -0.056 4.284 4.340 0.001 0.000 0.291 494 R C 0.189 176.514 176.300 0.042 0.000 0.934 494 R CA 0.158 56.265 56.100 0.012 0.000 1.116 494 R CB -0.120 30.169 30.300 -0.019 0.000 0.895 494 R HN 0.872 nan 8.270 nan 0.000 0.410 495 N N 3.317 122.047 118.700 0.049 0.000 2.068 495 N HA -0.250 4.491 4.740 0.001 0.000 0.290 495 N C -0.902 174.667 175.510 0.098 0.000 1.372 495 N CA 0.617 53.706 53.050 0.065 0.000 0.863 495 N CB 0.059 38.567 38.487 0.034 0.000 1.174 495 N HN 0.466 nan 8.380 nan 0.000 0.494 496 Y N 2.002 122.280 120.300 -0.037 0.000 2.328 496 Y HA 0.193 4.743 4.550 0.001 0.000 0.336 496 Y C -0.625 175.263 175.900 -0.021 0.000 0.960 496 Y CA -1.652 56.416 58.100 -0.053 0.000 1.134 496 Y CB 1.098 39.505 38.460 -0.089 0.000 1.166 496 Y HN 0.447 nan 8.280 nan 0.000 0.464 497 D N 5.189 125.307 120.400 -0.469 0.000 2.349 497 D HA -0.042 4.599 4.640 0.001 0.000 0.266 497 D C 0.355 176.159 176.300 -0.828 0.000 1.293 497 D CA 0.282 54.004 54.000 -0.462 0.000 0.926 497 D CB 0.266 40.904 40.800 -0.270 0.000 1.090 497 D HN 0.791 nan 8.370 nan 0.000 0.502 498 N N 1.944 120.305 118.700 -0.565 0.000 2.268 498 N HA -0.052 4.688 4.740 0.001 0.000 0.204 498 N C -0.059 175.325 175.510 -0.210 0.000 1.124 498 N CA -0.394 52.424 53.050 -0.386 0.000 0.838 498 N CB 0.031 38.490 38.487 -0.047 0.000 0.994 498 N HN 0.290 nan 8.380 nan 0.000 0.489 499 T N -2.805 111.620 114.554 -0.216 0.000 2.934 499 T HA 0.468 4.818 4.350 0.001 0.000 0.283 499 T C -0.140 174.485 174.700 -0.124 0.000 1.005 499 T CA -0.578 61.400 62.100 -0.203 0.000 1.041 499 T CB 2.012 70.773 68.868 -0.178 0.000 1.042 499 T HN 0.054 nan 8.240 nan 0.000 0.505 500 T N -0.057 114.424 114.554 -0.120 0.000 2.893 500 T HA 0.355 4.706 4.350 0.001 0.000 0.291 500 T C 0.202 174.904 174.700 0.003 0.000 1.028 500 T CA -0.702 61.398 62.100 0.001 0.000 0.995 500 T CB 1.432 70.370 68.868 0.116 0.000 1.051 500 T HN 0.568 nan 8.240 nan 0.000 0.470 501 D N 1.737 122.164 120.400 0.045 0.000 2.269 501 D HA 0.095 4.736 4.640 0.001 0.000 0.208 501 D C 0.003 176.355 176.300 0.087 0.000 0.963 501 D CA 1.019 55.048 54.000 0.048 0.000 0.864 501 D CB 0.298 41.123 40.800 0.041 0.000 0.936 501 D HN 0.534 nan 8.370 nan 0.000 0.505 502 D N -1.204 119.279 120.400 0.138 0.000 2.375 502 D HA 0.030 4.670 4.640 0.001 0.000 0.241 502 D C -0.062 176.402 176.300 0.274 0.000 1.361 502 D CA -0.568 53.540 54.000 0.181 0.000 0.995 502 D CB 0.367 41.252 40.800 0.141 0.000 1.312 502 D HN -0.176 nan 8.370 nan 0.000 0.576 503 F N 3.248 123.277 119.950 0.131 0.000 2.094 503 F HA 0.084 4.612 4.527 0.001 0.000 0.291 503 F C 2.012 177.985 175.800 0.287 0.000 1.109 503 F CA 0.952 59.058 58.000 0.176 0.000 1.221 503 F CB -0.053 39.005 39.000 0.097 0.000 1.014 503 F HN 0.407 nan 8.300 nan 0.000 0.473 504 I N 0.822 121.608 120.570 0.360 0.000 2.236 504 I HA -0.383 3.787 4.170 0.001 0.000 0.249 504 I C 0.893 177.112 176.117 0.170 0.000 1.102 504 I CA 1.612 63.062 61.300 0.249 0.000 1.365 504 I CB -0.364 37.768 38.000 0.221 0.000 1.051 504 I HN 0.266 nan 8.210 nan 0.000 0.420 505 N N -0.609 118.184 118.700 0.155 0.000 2.275 505 N HA -0.014 4.726 4.740 0.001 0.000 0.236 505 N C -0.403 175.157 175.510 0.082 0.000 1.154 505 N CA -0.153 52.959 53.050 0.104 0.000 0.866 505 N CB 0.179 38.712 38.487 0.077 0.000 1.093 505 N HN 0.355 nan 8.380 nan 0.000 0.515 506 W N 1.938 123.161 121.300 -0.128 0.000 2.251 506 W HA 0.062 4.722 4.660 0.001 0.000 0.327 506 W C -0.446 175.853 176.519 -0.366 0.000 1.361 506 W CA 0.495 57.696 57.345 -0.240 0.000 1.234 506 W CB 0.735 30.028 29.460 -0.278 0.000 1.212 506 W HN -0.005 nan 8.180 nan 0.000 0.557 507 D N 3.069 122.938 120.400 -0.886 0.000 2.599 507 D HA 0.176 4.816 4.640 0.001 0.000 0.249 507 D C 1.541 176.827 176.300 -1.691 0.000 1.313 507 D CA 0.406 53.818 54.000 -0.980 0.000 0.815 507 D CB -0.060 40.421 40.800 -0.531 0.000 1.077 507 D HN 0.754 nan 8.370 nan 0.000 0.492 508 G N 1.458 108.692 108.800 -2.609 0.000 2.175 508 G HA2 -0.313 3.647 3.960 0.001 0.000 0.265 508 G HA3 -0.313 3.647 3.960 0.001 0.000 0.265 508 G C 0.261 174.368 174.900 -1.322 0.000 0.979 508 G CA 0.353 44.157 45.100 -2.160 0.000 0.663 508 G HN 0.431 nan 8.290 nan 0.000 0.533 509 D N 0.413 120.177 120.400 -1.061 0.000 2.435 509 D HA 0.578 5.218 4.640 0.001 0.000 0.230 509 D C 0.199 176.376 176.300 -0.206 0.000 1.215 509 D CA 0.077 53.805 54.000 -0.453 0.000 0.947 509 D CB 0.052 40.670 40.800 -0.303 0.000 1.048 509 D HN 0.293 nan 8.370 nan 0.000 0.512 510 I N 1.990 122.540 120.570 -0.033 0.000 2.752 510 I HA 0.381 4.551 4.170 0.001 0.000 0.295 510 I C 0.538 176.896 176.117 0.402 0.000 1.219 510 I CA -0.945 60.485 61.300 0.217 0.000 1.030 510 I CB 1.879 40.107 38.000 0.380 0.000 1.259 510 I HN 0.363 nan 8.210 nan 0.000 0.423 511 G N 4.623 113.618 108.800 0.325 0.000 2.562 511 G HA2 0.005 3.965 3.960 0.001 0.000 0.233 511 G HA3 0.005 3.965 3.960 0.001 0.000 0.233 511 G C -0.326 174.834 174.900 0.433 0.000 1.266 511 G CA -0.176 45.107 45.100 0.305 0.000 0.852 511 G HN 0.709 nan 8.290 nan 0.000 0.581 512 K N 2.104 122.436 120.400 -0.113 0.000 2.185 512 K HA 0.450 4.770 4.320 0.001 0.000 0.271 512 K C -2.086 174.013 176.600 -0.834 0.000 1.013 512 K CA -1.345 54.337 56.287 -1.008 0.000 0.943 512 K CB 1.245 33.023 32.500 -1.203 0.000 0.998 512 K HN 0.294 nan 8.250 nan 0.000 0.468 513 P HA 0.155 nan 4.420 nan 0.000 0.283 513 P C -1.441 175.126 177.300 -1.222 0.000 1.271 513 P CA -0.525 61.739 63.100 -1.394 0.000 0.841 513 P CB 1.005 31.509 31.700 -1.994 0.000 1.122 514 D N 0.342 120.314 120.400 -0.714 0.000 2.312 514 D HA 0.065 4.706 4.640 0.001 0.000 0.252 514 D C 0.217 176.212 176.300 -0.509 0.000 1.150 514 D CA -0.215 53.489 54.000 -0.493 0.000 0.870 514 D CB 0.239 40.904 40.800 -0.224 0.000 1.153 514 D HN 0.289 nan 8.370 nan 0.000 0.457 515 W N 3.533 124.694 121.300 -0.232 0.000 2.800 515 W HA 0.222 4.883 4.660 0.000 0.000 0.249 515 W C 1.807 178.322 176.519 -0.007 0.000 1.294 515 W CA 0.294 57.528 57.345 -0.185 0.000 1.402 515 W CB -0.180 29.047 29.460 -0.389 0.000 1.126 515 W HN 0.767 nan 8.180 nan 0.000 0.652 516 G N 0.709 109.599 108.800 0.151 0.000 2.575 516 G HA2 -0.345 3.615 3.960 0.001 0.000 0.267 516 G HA3 -0.345 3.615 3.960 0.001 0.000 0.267 516 G C 0.173 175.211 174.900 0.230 0.000 1.264 516 G CA 0.285 45.470 45.100 0.142 0.000 0.935 516 G HN 0.309 nan 8.290 nan 0.000 0.568 517 T N 0.407 115.024 114.554 0.105 0.000 2.889 517 T HA 0.605 4.955 4.350 0.001 0.000 0.291 517 T C -2.054 172.475 174.700 -0.286 0.000 0.995 517 T CA -0.636 61.467 62.100 0.005 0.000 1.092 517 T CB 1.466 70.329 68.868 -0.008 0.000 0.954 517 T HN 0.561 nan 8.240 nan 0.000 0.506 518 P HA 0.064 nan 4.420 nan 0.000 0.264 518 P C 0.161 176.974 177.300 -0.811 0.000 1.173 518 P CA 0.094 62.418 63.100 -1.293 0.000 0.761 518 P CB 0.351 31.280 31.700 -1.285 0.000 0.794 519 S N 0.247 115.376 115.700 -0.952 0.000 2.539 519 S HA 0.105 4.575 4.470 0.001 0.000 0.221 519 S C 0.332 174.599 174.600 -0.555 0.000 0.987 519 S CA -0.038 57.733 58.200 -0.716 0.000 0.929 519 S CB 0.109 62.563 63.200 -1.243 0.000 0.832 519 S HN 0.602 nan 8.310 nan 0.000 0.492 520 Q N -0.248 119.154 119.800 -0.664 0.000 2.479 520 Q HA 0.395 4.735 4.340 0.001 0.000 0.276 520 Q C -2.369 173.370 176.000 -0.435 0.000 0.989 520 Q CA -0.618 54.993 55.803 -0.320 0.000 0.864 520 Q CB 1.150 29.780 28.738 -0.179 0.000 1.444 520 Q HN 0.271 nan 8.270 nan 0.000 0.388 521 Y N 2.732 122.942 120.300 -0.150 0.000 2.327 521 Y HA 0.490 5.040 4.550 0.001 0.000 0.325 521 Y C -0.415 175.386 175.900 -0.166 0.000 0.999 521 Y CA -0.558 57.449 58.100 -0.155 0.000 1.195 521 Y CB 1.385 39.766 38.460 -0.132 0.000 1.132 521 Y HN 0.459 nan 8.280 nan 0.000 0.455 522 I N 3.512 124.000 120.570 -0.136 0.000 2.385 522 I HA 0.379 4.550 4.170 0.001 0.000 0.294 522 I C -0.624 175.292 176.117 -0.335 0.000 0.988 522 I CA -0.313 60.779 61.300 -0.347 0.000 1.265 522 I CB 1.410 38.943 38.000 -0.779 0.000 1.388 522 I HN 0.502 nan 8.210 nan 0.000 0.480 523 D N 4.613 124.857 120.400 -0.261 0.000 2.613 523 D HA 0.353 4.993 4.640 0.001 0.000 0.230 523 D C -1.792 174.461 176.300 -0.078 0.000 1.365 523 D CA -0.296 53.647 54.000 -0.096 0.000 0.976 523 D CB 1.529 42.332 40.800 0.005 0.000 1.415 523 D HN 0.468 nan 8.370 nan 0.000 0.589 524 D N 2.148 122.541 120.400 -0.012 0.000 2.970 524 D HA 0.395 5.036 4.640 0.001 0.000 0.230 524 D C -1.228 175.168 176.300 0.161 0.000 1.276 524 D CA -0.380 53.636 54.000 0.028 0.000 0.910 524 D CB 1.413 42.189 40.800 -0.040 0.000 1.590 524 D HN 0.035 nan 8.370 nan 0.000 0.551 525 K N 1.573 122.032 120.400 0.098 0.000 2.413 525 K HA 0.624 4.944 4.320 0.001 0.000 0.257 525 K C -1.029 175.590 176.600 0.032 0.000 0.946 525 K CA -0.613 55.724 56.287 0.082 0.000 0.823 525 K CB 2.032 34.530 32.500 -0.004 0.000 1.109 525 K HN 0.217 nan 8.250 nan 0.000 0.427 526 T N 2.633 117.201 114.554 0.024 0.000 2.823 526 T HA 0.388 4.738 4.350 0.001 0.000 0.279 526 T C -0.782 173.811 174.700 -0.177 0.000 0.998 526 T CA -0.759 61.266 62.100 -0.126 0.000 0.994 526 T CB 1.003 69.801 68.868 -0.116 0.000 0.960 526 T HN 0.234 nan 8.240 nan 0.000 0.448 527 R N 2.792 123.097 120.500 -0.326 0.000 2.451 527 R HA 0.360 4.700 4.340 0.001 0.000 0.307 527 R C -1.230 174.813 176.300 -0.428 0.000 0.965 527 R CA -0.505 55.351 56.100 -0.406 0.000 0.865 527 R CB 1.773 31.854 30.300 -0.365 0.000 1.174 527 R HN 0.774 nan 8.270 nan 0.000 0.455 528 Q N 4.931 124.519 119.800 -0.353 0.000 2.365 528 Q HA 0.607 4.948 4.340 0.001 0.000 0.269 528 Q C -1.246 174.669 176.000 -0.141 0.000 1.061 528 Q CA -0.671 55.038 55.803 -0.158 0.000 0.816 528 Q CB 1.747 30.496 28.738 0.017 0.000 1.325 528 Q HN 0.565 nan 8.270 nan 0.000 0.446 529 L N 1.303 122.504 121.223 -0.038 0.000 2.283 529 L HA 0.982 5.322 4.340 0.001 0.000 0.259 529 L C -0.104 176.810 176.870 0.072 0.000 1.027 529 L CA -1.096 53.744 54.840 0.000 0.000 0.828 529 L CB 2.539 44.598 42.059 0.001 0.000 1.380 529 L HN 0.802 nan 8.230 nan 0.000 0.425 530 G N -0.476 108.388 108.800 0.108 0.000 2.667 530 G HA2 0.595 4.555 3.960 0.001 0.000 0.294 530 G HA3 0.595 4.555 3.960 0.001 0.000 0.294 530 G C -1.866 173.164 174.900 0.216 0.000 1.467 530 G CA -0.339 44.855 45.100 0.156 0.000 0.852 530 G HN 0.403 nan 8.290 nan 0.000 0.521 531 S N -0.350 115.488 115.700 0.229 0.000 2.547 531 S HA 0.730 5.201 4.470 0.001 0.000 0.281 531 S C -1.532 173.226 174.600 0.264 0.000 1.118 531 S CA -0.607 57.708 58.200 0.192 0.000 0.947 531 S CB 1.350 64.605 63.200 0.091 0.000 1.053 531 S HN 1.028 nan 8.310 nan 0.000 0.482 532 Y N -0.192 120.140 120.300 0.052 0.000 2.331 532 Y HA 0.806 5.357 4.550 0.000 0.000 0.326 532 Y C -1.147 174.778 175.900 0.042 0.000 1.020 532 Y CA -1.497 56.624 58.100 0.035 0.000 1.136 532 Y CB 0.332 38.776 38.460 -0.027 0.000 1.157 532 Y HN 0.412 nan 8.280 nan 0.000 0.444 533 M N 3.877 123.536 119.600 0.098 0.000 2.157 533 M HA 0.620 5.100 4.480 0.001 0.000 0.354 533 M C -0.667 175.697 176.300 0.106 0.000 1.170 533 M CA 0.138 55.473 55.300 0.058 0.000 1.060 533 M CB 1.966 34.600 32.600 0.056 0.000 1.615 533 M HN 0.767 nan 8.290 nan 0.000 0.460 534 T N 2.355 116.952 114.554 0.072 0.000 2.928 534 T HA 0.791 5.141 4.350 0.001 0.000 0.296 534 T C -1.140 173.591 174.700 0.052 0.000 1.000 534 T CA -0.815 61.335 62.100 0.083 0.000 0.989 534 T CB 1.477 70.358 68.868 0.022 0.000 1.005 534 T HN 0.670 nan 8.240 nan 0.000 0.442 535 A N 3.135 125.996 122.820 0.069 0.000 2.318 535 A HA 0.785 5.106 4.320 0.001 0.000 0.317 535 A C -0.130 177.391 177.584 -0.105 0.000 1.159 535 A CA -0.843 51.133 52.037 -0.101 0.000 0.799 535 A CB 0.910 19.736 19.000 -0.289 0.000 1.194 535 A HN 0.777 nan 8.150 nan 0.000 0.479 536 R N 2.893 123.245 120.500 -0.247 0.000 2.215 536 R HA 0.494 4.834 4.340 0.001 0.000 0.336 536 R C -1.742 174.353 176.300 -0.340 0.000 0.996 536 R CA -0.338 55.436 56.100 -0.543 0.000 0.847 536 R CB 0.253 30.106 30.300 -0.745 0.000 1.127 536 R HN 0.546 nan 8.270 nan 0.000 0.465 537 F N 3.146 123.004 119.950 -0.153 0.000 2.420 537 F HA 0.151 4.678 4.527 0.001 0.000 0.352 537 F C 1.142 176.972 175.800 0.049 0.000 1.108 537 F CA -0.218 57.799 58.000 0.029 0.000 1.162 537 F CB 1.028 39.995 39.000 -0.054 0.000 1.118 537 F HN 0.500 nan 8.300 nan 0.000 0.510 538 N N 3.959 122.863 118.700 0.340 0.000 2.605 538 N HA 0.113 4.853 4.740 0.001 0.000 0.258 538 N C 0.599 176.219 175.510 0.184 0.000 1.156 538 N CA -0.221 52.898 53.050 0.115 0.000 1.008 538 N CB 0.620 39.049 38.487 -0.097 0.000 1.354 538 N HN 0.458 nan 8.380 nan 0.000 0.509 539 V N 2.394 122.415 119.914 0.179 0.000 2.255 539 V HA -0.066 4.054 4.120 0.001 0.000 0.243 539 V C 1.208 177.365 176.094 0.104 0.000 1.038 539 V CA 1.346 63.734 62.300 0.148 0.000 1.008 539 V CB -0.229 31.651 31.823 0.095 0.000 0.645 539 V HN 0.583 nan 8.190 nan 0.000 0.449 540 T N -1.214 113.398 114.554 0.097 0.000 2.804 540 T HA 0.294 4.644 4.350 0.001 0.000 0.272 540 T C 0.309 175.050 174.700 0.069 0.000 0.986 540 T CA -0.424 61.728 62.100 0.086 0.000 0.999 540 T CB 1.176 70.114 68.868 0.118 0.000 1.307 540 T HN 0.144 nan 8.240 nan 0.000 0.586 541 D N 0.575 121.008 120.400 0.056 0.000 2.347 541 D HA 0.034 4.675 4.640 0.001 0.000 0.215 541 D C 0.741 177.059 176.300 0.029 0.000 0.976 541 D CA 0.772 54.790 54.000 0.030 0.000 0.884 541 D CB 0.150 40.959 40.800 0.016 0.000 0.915 541 D HN 0.414 nan 8.370 nan 0.000 0.526 542 D N -0.423 120.017 120.400 0.067 0.000 2.479 542 D HA 0.059 4.699 4.640 0.001 0.000 0.221 542 D C 0.298 176.704 176.300 0.176 0.000 1.104 542 D CA -0.218 53.790 54.000 0.014 0.000 0.849 542 D CB 1.228 41.952 40.800 -0.126 0.000 1.072 542 D HN 0.090 nan 8.370 nan 0.000 0.502 543 L N 1.803 123.192 121.223 0.275 0.000 2.305 543 L HA 0.384 4.725 4.340 0.001 0.000 0.284 543 L C -0.913 176.060 176.870 0.171 0.000 1.013 543 L CA -0.328 54.696 54.840 0.306 0.000 0.819 543 L CB 1.150 43.357 42.059 0.247 0.000 1.227 543 L HN -0.239 nan 8.230 nan 0.000 0.417 544 N N 5.034 123.829 118.700 0.158 0.000 2.342 544 N HA 0.445 5.185 4.740 0.001 0.000 0.293 544 N C -1.611 173.953 175.510 0.090 0.000 1.026 544 N CA -0.617 52.477 53.050 0.074 0.000 0.857 544 N CB 2.623 41.103 38.487 -0.012 0.000 1.256 544 N HN 0.413 nan 8.380 nan 0.000 0.484 545 L N 2.670 123.934 121.223 0.068 0.000 2.322 545 L HA 0.578 4.918 4.340 0.001 0.000 0.281 545 L C -1.473 175.466 176.870 0.116 0.000 1.014 545 L CA -0.374 54.553 54.840 0.144 0.000 0.815 545 L CB 0.779 42.913 42.059 0.125 0.000 1.247 545 L HN 0.351 nan 8.230 nan 0.000 0.421 546 F N 5.809 125.919 119.950 0.266 0.000 2.402 546 F HA 0.586 5.114 4.527 0.000 0.000 0.355 546 F C -0.528 175.471 175.800 0.332 0.000 1.123 546 F CA -0.302 57.883 58.000 0.310 0.000 1.021 546 F CB 1.173 40.397 39.000 0.373 0.000 1.160 546 F HN 0.212 nan 8.300 nan 0.000 0.451 547 L N 3.287 124.811 121.223 0.501 0.000 2.386 547 L HA 0.987 5.327 4.340 0.001 0.000 0.271 547 L C 0.096 177.191 176.870 0.375 0.000 0.993 547 L CA -0.641 54.449 54.840 0.417 0.000 0.819 547 L CB 2.070 44.340 42.059 0.351 0.000 1.294 547 L HN 0.740 nan 8.230 nan 0.000 0.414 548 G N 0.814 109.837 108.800 0.371 0.000 2.320 548 G HA2 0.619 4.579 3.960 0.001 0.000 0.296 548 G HA3 0.619 4.579 3.960 0.001 0.000 0.296 548 G C -1.394 173.689 174.900 0.304 0.000 1.306 548 G CA 0.069 45.347 45.100 0.298 0.000 0.836 548 G HN 0.931 nan 8.290 nan 0.000 0.517 549 G N -1.241 107.692 108.800 0.221 0.000 2.451 549 G HA2 0.677 4.637 3.960 0.001 0.000 0.292 549 G HA3 0.677 4.637 3.960 0.001 0.000 0.292 549 G C -1.804 173.135 174.900 0.064 0.000 1.427 549 G CA -0.562 44.570 45.100 0.054 0.000 0.792 549 G HN 0.644 nan 8.290 nan 0.000 0.498 550 R N -0.635 119.783 120.500 -0.137 0.000 2.628 550 R HA 0.629 4.969 4.340 0.001 0.000 0.288 550 R C -1.465 174.885 176.300 0.084 0.000 0.980 550 R CA -0.710 55.409 56.100 0.032 0.000 0.891 550 R CB 2.282 32.555 30.300 -0.046 0.000 1.188 550 R HN 0.827 nan 8.270 nan 0.000 0.450 551 V N 5.063 125.103 119.914 0.210 0.000 2.384 551 V HA 0.556 4.676 4.120 0.001 0.000 0.287 551 V C -1.238 174.970 176.094 0.190 0.000 1.020 551 V CA -0.319 62.126 62.300 0.242 0.000 0.850 551 V CB 1.675 33.663 31.823 0.275 0.000 0.987 551 V HN 0.485 nan 8.190 nan 0.000 0.436 552 V N 6.859 126.899 119.914 0.210 0.000 2.409 552 V HA 0.501 4.621 4.120 0.001 0.000 0.291 552 V C -0.255 175.972 176.094 0.222 0.000 1.020 552 V CA -0.483 61.951 62.300 0.224 0.000 0.848 552 V CB 1.570 33.587 31.823 0.322 0.000 0.990 552 V HN 0.979 nan 8.190 nan 0.000 0.430 553 D N 3.311 123.818 120.400 0.178 0.000 2.217 553 D HA 0.360 5.001 4.640 0.001 0.000 0.243 553 D C -1.776 174.648 176.300 0.206 0.000 1.054 553 D CA -0.306 53.790 54.000 0.159 0.000 0.838 553 D CB 2.018 42.874 40.800 0.093 0.000 1.162 553 D HN 0.561 nan 8.370 nan 0.000 0.472 554 Y N 3.435 123.776 120.300 0.069 0.000 2.332 554 Y HA 0.298 4.848 4.550 0.000 0.000 0.325 554 Y C -1.223 174.700 175.900 0.039 0.000 1.054 554 Y CA -0.913 57.219 58.100 0.054 0.000 1.119 554 Y CB 1.148 39.676 38.460 0.113 0.000 1.168 554 Y HN 0.365 nan 8.280 nan 0.000 0.439 555 R N 5.439 125.779 120.500 -0.266 0.000 2.480 555 R HA 0.764 5.105 4.340 0.001 0.000 0.306 555 R C -2.214 173.929 176.300 -0.262 0.000 0.958 555 R CA -0.835 55.173 56.100 -0.154 0.000 0.861 555 R CB 1.854 32.106 30.300 -0.080 0.000 1.171 555 R HN 0.506 nan 8.270 nan 0.000 0.445 556 V N 4.328 124.174 119.914 -0.113 0.000 2.488 556 V HA 0.501 4.621 4.120 0.001 0.000 0.293 556 V C -0.796 175.299 176.094 0.002 0.000 1.027 556 V CA -0.117 62.141 62.300 -0.069 0.000 0.862 556 V CB 1.758 33.557 31.823 -0.039 0.000 1.008 556 V HN 0.967 nan 8.190 nan 0.000 0.428 557 T N 3.459 118.013 114.554 0.000 0.000 2.929 557 T HA 1.002 5.352 4.350 0.001 0.000 0.284 557 T C 0.389 175.100 174.700 0.019 0.000 1.014 557 T CA 0.170 62.278 62.100 0.012 0.000 1.051 557 T CB 1.762 70.632 68.868 0.003 0.000 1.028 557 T HN 1.775 nan 8.240 nan 0.000 0.485 558 G N 0.619 109.430 108.800 0.018 0.000 2.593 558 G HA2 0.283 4.243 3.960 0.001 0.000 0.103 558 G HA3 0.283 4.243 3.960 0.001 0.000 0.103 558 G C 0.047 174.955 174.900 0.012 0.000 1.103 558 G CA -0.036 45.069 45.100 0.008 0.000 1.109 558 G HN 0.887 nan 8.290 nan 0.000 0.516 559 L N 1.391 122.622 121.223 0.013 0.000 2.023 559 L HA 0.346 4.687 4.340 0.001 0.000 0.205 559 L C 1.125 178.023 176.870 0.047 0.000 1.073 559 L CA 1.398 56.254 54.840 0.028 0.000 0.745 559 L CB -0.830 41.249 42.059 0.033 0.000 0.900 559 L HN 0.499 nan 8.230 nan 0.000 0.435 560 N N 0.640 119.376 118.700 0.061 0.000 2.379 560 N HA 0.230 4.970 4.740 0.001 0.000 0.260 560 N C -2.395 173.149 175.510 0.058 0.000 1.254 560 N CA -1.255 51.837 53.050 0.071 0.000 0.958 560 N CB -0.807 37.734 38.487 0.091 0.000 1.208 560 N HN 0.082 nan 8.380 nan 0.000 0.532 561 P HA -0.050 nan 4.420 nan 0.000 0.261 561 P C -0.054 177.276 177.300 0.050 0.000 1.173 561 P CA 0.417 63.548 63.100 0.051 0.000 0.760 561 P CB -0.224 31.508 31.700 0.054 0.000 0.783 562 T N 3.673 118.253 114.554 0.042 0.000 2.828 562 T HA -0.067 4.283 4.350 0.001 0.000 0.282 562 T C 0.643 175.375 174.700 0.053 0.000 1.031 562 T CA 0.818 62.942 62.100 0.041 0.000 1.136 562 T CB -0.363 68.525 68.868 0.033 0.000 1.057 562 T HN 0.218 nan 8.240 nan 0.000 0.499 563 I N 4.307 124.916 120.570 0.065 0.000 2.389 563 I HA 0.460 4.630 4.170 0.001 0.000 0.288 563 I C 0.234 176.414 176.117 0.105 0.000 0.999 563 I CA -0.700 60.656 61.300 0.094 0.000 1.129 563 I CB 1.378 39.458 38.000 0.134 0.000 1.288 563 I HN 0.262 nan 8.210 nan 0.000 0.444 564 R N 5.742 126.301 120.500 0.099 0.000 2.500 564 R HA 0.390 4.731 4.340 0.001 0.000 0.299 564 R C -1.388 174.970 176.300 0.097 0.000 1.038 564 R CA -0.588 55.567 56.100 0.092 0.000 0.903 564 R CB 1.439 31.773 30.300 0.056 0.000 1.177 564 R HN 0.487 nan 8.270 nan 0.000 0.455 565 E N 1.961 122.246 120.200 0.141 0.000 2.191 565 E HA 0.393 4.743 4.350 0.001 0.000 0.263 565 E C -0.848 175.812 176.600 0.100 0.000 0.881 565 E CA -0.437 56.018 56.400 0.091 0.000 0.757 565 E CB 2.127 31.875 29.700 0.080 0.000 1.147 565 E HN 0.408 nan 8.360 nan 0.000 0.414 566 S N 0.087 115.819 115.700 0.053 0.000 2.503 566 S HA 0.553 5.023 4.470 0.001 0.000 0.301 566 S C 0.690 175.320 174.600 0.051 0.000 1.087 566 S CA -0.375 57.862 58.200 0.061 0.000 1.042 566 S CB 1.751 64.980 63.200 0.048 0.000 1.043 566 S HN 0.733 nan 8.310 nan 0.000 0.489 567 G N 2.336 111.183 108.800 0.078 0.000 2.341 567 G HA2 -0.272 3.688 3.960 0.001 0.000 0.292 567 G HA3 -0.272 3.688 3.960 0.001 0.000 0.292 567 G C -0.026 174.931 174.900 0.095 0.000 1.021 567 G CA 0.123 45.277 45.100 0.090 0.000 0.905 567 G HN 0.630 nan 8.290 nan 0.000 0.508 568 R N -0.884 119.659 120.500 0.073 0.000 2.298 568 R HA 0.369 4.709 4.340 0.001 0.000 0.310 568 R C -0.211 176.195 176.300 0.177 0.000 1.068 568 R CA -0.565 55.540 56.100 0.007 0.000 0.957 568 R CB 0.452 30.555 30.300 -0.329 0.000 1.003 568 R HN 0.179 nan 8.270 nan 0.000 0.454 569 F N 4.789 124.752 119.950 0.023 0.000 2.404 569 F HA 0.356 4.883 4.527 0.001 0.000 0.345 569 F C -0.241 175.626 175.800 0.111 0.000 1.110 569 F CA -0.810 57.237 58.000 0.078 0.000 1.130 569 F CB 0.631 39.668 39.000 0.061 0.000 1.129 569 F HN 0.335 nan 8.300 nan 0.000 0.500 570 I N 8.502 128.745 120.570 -0.544 0.000 2.339 570 I HA 0.350 4.520 4.170 0.001 0.000 0.290 570 I C -2.316 173.240 176.117 -0.935 0.000 0.994 570 I CA -2.031 58.975 61.300 -0.489 0.000 1.191 570 I CB 1.505 39.363 38.000 -0.238 0.000 1.343 570 I HN 0.424 nan 8.210 nan 0.000 0.458 571 P HA 0.174 nan 4.420 nan 0.000 0.286 571 P C -1.577 175.707 177.300 -0.026 0.000 1.261 571 P CA -0.462 62.506 63.100 -0.220 0.000 0.821 571 P CB 1.061 32.882 31.700 0.201 0.000 1.013 572 Y N 2.480 122.771 120.300 -0.016 0.000 2.332 572 Y HA 0.461 5.012 4.550 0.001 0.000 0.326 572 Y C -1.329 174.647 175.900 0.127 0.000 0.978 572 Y CA -0.568 57.538 58.100 0.011 0.000 1.205 572 Y CB 1.265 39.716 38.460 -0.016 0.000 1.131 572 Y HN 0.066 nan 8.280 nan 0.000 0.462 573 V N 5.533 125.347 119.914 -0.167 0.000 2.531 573 V HA 0.886 5.006 4.120 0.001 0.000 0.301 573 V C -0.054 175.957 176.094 -0.138 0.000 1.034 573 V CA -0.311 61.988 62.300 -0.001 0.000 0.865 573 V CB 1.501 33.383 31.823 0.098 0.000 0.995 573 V HN 0.912 nan 8.190 nan 0.000 0.424 574 G N 2.722 111.560 108.800 0.064 0.000 2.695 574 G HA2 0.914 4.874 3.960 0.001 0.000 0.290 574 G HA3 0.914 4.874 3.960 0.001 0.000 0.290 574 G C -1.420 173.668 174.900 0.313 0.000 1.410 574 G CA -0.256 44.917 45.100 0.122 0.000 0.844 574 G HN 1.222 nan 8.290 nan 0.000 0.478 575 A N -0.827 122.181 122.820 0.314 0.000 2.513 575 A HA 0.774 5.094 4.320 0.001 0.000 0.296 575 A C -1.473 176.320 177.584 0.349 0.000 1.052 575 A CA -0.347 51.879 52.037 0.315 0.000 0.714 575 A CB 1.803 20.918 19.000 0.192 0.000 1.279 575 A HN 2.159 nan 8.150 nan 0.000 0.397 576 V N 2.957 123.089 119.914 0.363 0.000 2.623 576 V HA 0.793 4.913 4.120 0.001 0.000 0.304 576 V C -2.118 174.172 176.094 0.328 0.000 1.054 576 V CA -0.534 61.978 62.300 0.354 0.000 0.882 576 V CB 1.624 33.658 31.823 0.352 0.000 1.002 576 V HN 1.319 nan 8.190 nan 0.000 0.424 577 Y N 4.959 125.354 120.300 0.159 0.000 2.361 577 Y HA 0.672 5.222 4.550 0.001 0.000 0.337 577 Y C -0.445 175.519 175.900 0.106 0.000 0.965 577 Y CA -1.015 57.153 58.100 0.112 0.000 1.091 577 Y CB 1.793 40.309 38.460 0.092 0.000 1.182 577 Y HN 0.749 nan 8.280 nan 0.000 0.450 578 D N 6.677 126.817 120.400 -0.434 0.000 2.312 578 D HA 0.184 4.824 4.640 0.001 0.000 0.252 578 D C 0.764 176.739 176.300 -0.540 0.000 1.150 578 D CA 0.182 53.961 54.000 -0.368 0.000 0.870 578 D CB 1.772 42.440 40.800 -0.221 0.000 1.153 578 D HN 0.749 nan 8.370 nan 0.000 0.457 579 L N 1.932 123.012 121.223 -0.238 0.000 2.416 579 L HA 0.016 4.356 4.340 0.001 0.000 0.216 579 L C 0.409 177.236 176.870 -0.071 0.000 1.098 579 L CA 0.493 55.250 54.840 -0.137 0.000 0.840 579 L CB -0.212 41.854 42.059 0.011 0.000 0.981 579 L HN 0.506 nan 8.230 nan 0.000 0.462 580 N N -4.377 114.288 118.700 -0.059 0.000 3.411 580 N HA -0.009 4.731 4.740 0.001 0.000 0.312 580 N C -0.496 174.973 175.510 -0.068 0.000 1.454 580 N CA -0.531 52.495 53.050 -0.041 0.000 0.863 580 N CB -0.054 38.436 38.487 0.006 0.000 1.747 580 N HN -0.325 nan 8.380 nan 0.000 0.474 581 D N -0.716 119.641 120.400 -0.071 0.000 2.264 581 D HA -0.047 4.594 4.640 0.001 0.000 0.208 581 D C 0.738 176.927 176.300 -0.185 0.000 0.966 581 D CA 1.625 55.563 54.000 -0.103 0.000 0.864 581 D CB -0.199 40.554 40.800 -0.078 0.000 0.933 581 D HN 0.567 nan 8.370 nan 0.000 0.499 582 T N -0.372 114.038 114.554 -0.239 0.000 2.898 582 T HA 0.008 4.358 4.350 0.001 0.000 0.241 582 T C 0.694 175.017 174.700 -0.628 0.000 1.024 582 T CA 0.583 62.359 62.100 -0.539 0.000 1.174 582 T CB -0.016 68.466 68.868 -0.645 0.000 0.873 582 T HN -0.003 nan 8.240 nan 0.000 0.422 583 Y N 0.856 121.077 120.300 -0.131 0.000 2.545 583 Y HA 0.651 5.201 4.550 0.001 0.000 0.324 583 Y C 0.349 176.216 175.900 -0.054 0.000 1.220 583 Y CA -0.874 57.180 58.100 -0.077 0.000 1.290 583 Y CB 1.291 39.731 38.460 -0.034 0.000 1.355 583 Y HN 0.001 nan 8.280 nan 0.000 0.516 584 S N -0.058 115.763 115.700 0.202 0.000 2.537 584 S HA 0.547 5.018 4.470 0.001 0.000 0.271 584 S C -1.442 173.294 174.600 0.226 0.000 1.148 584 S CA -0.999 57.285 58.200 0.140 0.000 0.868 584 S CB 1.455 64.723 63.200 0.113 0.000 1.115 584 S HN 0.509 nan 8.310 nan 0.000 0.461 585 V N 1.445 121.494 119.914 0.225 0.000 2.612 585 V HA 0.914 5.034 4.120 0.001 0.000 0.301 585 V C -0.943 175.341 176.094 0.317 0.000 1.046 585 V CA -0.703 61.736 62.300 0.232 0.000 0.946 585 V CB 0.573 32.509 31.823 0.188 0.000 1.003 585 V HN 0.933 nan 8.190 nan 0.000 0.459 586 Y N 1.381 121.769 120.300 0.147 0.000 2.553 586 Y HA 0.976 5.527 4.550 0.001 0.000 0.347 586 Y C -0.476 175.498 175.900 0.123 0.000 1.019 586 Y CA -1.053 57.133 58.100 0.144 0.000 1.032 586 Y CB 1.666 40.202 38.460 0.126 0.000 1.284 586 Y HN 1.069 nan 8.280 nan 0.000 0.466 587 A N 1.966 124.871 122.820 0.141 0.000 2.475 587 A HA 0.894 5.214 4.320 0.001 0.000 0.301 587 A C -1.010 176.654 177.584 0.133 0.000 1.059 587 A CA -0.134 51.928 52.037 0.042 0.000 0.710 587 A CB 1.387 20.408 19.000 0.035 0.000 1.288 587 A HN 1.583 nan 8.150 nan 0.000 0.408 588 S N 0.200 115.950 115.700 0.084 0.000 2.607 588 S HA 0.748 5.218 4.470 0.001 0.000 0.273 588 S C -1.400 173.180 174.600 -0.033 0.000 1.148 588 S CA -0.599 57.600 58.200 -0.002 0.000 0.833 588 S CB 1.390 64.547 63.200 -0.072 0.000 1.130 588 S HN 1.654 nan 8.310 nan 0.000 0.470 589 Y N 1.413 121.533 120.300 -0.299 0.000 2.329 589 Y HA 0.615 5.166 4.550 0.001 0.000 0.328 589 Y C -0.659 174.983 175.900 -0.431 0.000 0.992 589 Y CA -0.078 57.787 58.100 -0.392 0.000 1.151 589 Y CB 1.643 39.899 38.460 -0.339 0.000 1.150 589 Y HN 1.119 nan 8.280 nan 0.000 0.450 590 T N 2.016 116.109 114.554 -0.768 0.000 2.906 590 T HA 0.616 4.966 4.350 0.001 0.000 0.295 590 T C -1.531 172.758 174.700 -0.685 0.000 1.075 590 T CA -0.816 60.908 62.100 -0.626 0.000 1.005 590 T CB 2.467 71.102 68.868 -0.388 0.000 1.136 590 T HN 0.588 nan 8.240 nan 0.000 0.498 591 D N -0.594 119.525 120.400 -0.468 0.000 2.581 591 D HA 0.770 5.410 4.640 0.001 0.000 0.232 591 D C -1.435 174.707 176.300 -0.263 0.000 1.143 591 D CA -0.651 53.120 54.000 -0.381 0.000 0.881 591 D CB 2.056 42.655 40.800 -0.334 0.000 1.500 591 D HN 0.802 nan 8.370 nan 0.000 0.458 592 I N 1.876 122.318 120.570 -0.214 0.000 2.984 592 I HA 0.596 4.767 4.170 0.001 0.000 0.303 592 I C -1.684 174.370 176.117 -0.104 0.000 1.381 592 I CA -0.831 60.338 61.300 -0.218 0.000 0.988 592 I CB 1.482 39.301 38.000 -0.300 0.000 1.307 592 I HN 0.513 nan 8.210 nan 0.000 0.460 593 F N 4.465 124.295 119.950 -0.201 0.000 2.662 593 F HA 0.893 5.421 4.527 0.001 0.000 0.312 593 F C -1.454 174.216 175.800 -0.217 0.000 1.113 593 F CA -0.998 56.891 58.000 -0.184 0.000 0.951 593 F CB 1.795 40.707 39.000 -0.148 0.000 1.344 593 F HN 0.393 nan 8.300 nan 0.000 0.462 594 M N 2.717 122.341 119.600 0.040 0.000 2.284 594 M HA 0.560 5.041 4.480 0.001 0.000 0.281 594 M C -3.136 173.169 176.300 0.007 0.000 1.083 594 M CA -2.111 53.107 55.300 -0.137 0.000 0.965 594 M CB 2.434 34.918 32.600 -0.193 0.000 1.717 594 M HN 0.328 nan 8.290 nan 0.000 0.479 595 P HA 0.127 nan 4.420 nan 0.000 0.266 595 P C -1.313 175.982 177.300 -0.008 0.000 1.195 595 P CA 0.013 63.114 63.100 0.002 0.000 0.768 595 P CB 0.456 32.169 31.700 0.021 0.000 0.838 596 Q N 2.023 121.826 119.800 0.005 0.000 2.394 596 Q HA 0.079 4.419 4.340 0.001 0.000 0.248 596 Q C -0.088 175.886 176.000 -0.042 0.000 0.992 596 Q CA 0.179 55.986 55.803 0.007 0.000 0.888 596 Q CB 0.144 28.899 28.738 0.028 0.000 1.257 596 Q HN 0.380 nan 8.270 nan 0.000 0.462 597 D N 0.382 120.712 120.400 -0.117 0.000 2.478 597 D HA -0.087 4.553 4.640 0.001 0.000 0.234 597 D C 0.778 176.696 176.300 -0.636 0.000 1.154 597 D CA 0.329 54.014 54.000 -0.524 0.000 0.874 597 D CB 0.908 41.003 40.800 -1.175 0.000 1.198 597 D HN 0.607 nan 8.370 nan 0.000 0.455 598 S N 1.485 116.865 115.700 -0.534 0.000 2.381 598 S HA -0.223 4.248 4.470 0.001 0.000 0.230 598 S C 1.601 176.110 174.600 -0.151 0.000 1.052 598 S CA 1.988 60.063 58.200 -0.207 0.000 1.068 598 S CB -0.271 62.935 63.200 0.011 0.000 0.918 598 S HN 0.663 nan 8.310 nan 0.000 0.448 599 W N -0.568 120.643 121.300 -0.148 0.000 2.905 599 W HA 0.325 4.986 4.660 0.000 0.000 0.251 599 W C -0.065 176.396 176.519 -0.098 0.000 1.305 599 W CA -0.598 56.673 57.345 -0.124 0.000 1.465 599 W CB -0.935 28.433 29.460 -0.154 0.000 1.122 599 W HN 0.097 nan 8.180 nan 0.000 0.659 600 Y N 3.956 124.151 120.300 -0.174 0.000 2.604 600 Y HA 0.221 4.771 4.550 0.001 0.000 0.341 600 Y C 0.694 176.618 175.900 0.039 0.000 1.249 600 Y CA -0.847 57.134 58.100 -0.198 0.000 1.926 600 Y CB -1.028 37.230 38.460 -0.336 0.000 1.941 600 Y HN 0.011 nan 8.280 nan 0.000 0.426 601 R N 0.484 121.193 120.500 0.348 0.000 2.720 601 R HA 0.420 4.760 4.340 0.001 0.000 0.272 601 R C -0.419 176.000 176.300 0.197 0.000 0.991 601 R CA -1.106 55.127 56.100 0.223 0.000 1.010 601 R CB 1.123 31.531 30.300 0.180 0.000 1.141 601 R HN 0.298 nan 8.270 nan 0.000 0.494 602 D N 0.000 120.443 120.400 0.072 0.000 2.506 602 D HA 0.115 4.756 4.640 0.001 0.000 0.272 602 D C 0.568 176.766 176.300 -0.169 0.000 1.214 602 D CA -0.720 53.264 54.000 -0.027 0.000 1.067 602 D CB 0.403 41.187 40.800 -0.028 0.000 1.117 602 D HN 0.246 nan 8.370 nan 0.000 0.578 603 S N -0.867 114.641 115.700 -0.322 0.000 2.390 603 S HA -0.198 4.272 4.470 0.001 0.000 0.234 603 S C 1.466 175.881 174.600 -0.309 0.000 1.063 603 S CA 2.008 59.861 58.200 -0.577 0.000 1.108 603 S CB -0.667 62.288 63.200 -0.409 0.000 0.975 603 S HN 0.638 nan 8.310 nan 0.000 0.442 604 S N 1.268 116.881 115.700 -0.145 0.000 2.763 604 S HA 0.244 4.715 4.470 0.001 0.000 0.237 604 S C 0.450 175.034 174.600 -0.027 0.000 0.966 604 S CA 0.197 58.361 58.200 -0.060 0.000 1.017 604 S CB -0.515 62.667 63.200 -0.029 0.000 0.780 604 S HN 0.532 nan 8.310 nan 0.000 0.476 605 N N 1.231 119.911 118.700 -0.034 0.000 2.708 605 N HA -0.200 4.540 4.740 0.001 0.000 0.249 605 N C -0.783 174.749 175.510 0.036 0.000 1.097 605 N CA 0.951 54.013 53.050 0.019 0.000 0.710 605 N CB -1.301 37.209 38.487 0.038 0.000 1.032 605 N HN 0.666 nan 8.380 nan 0.000 0.551 606 K N -0.098 120.318 120.400 0.026 0.000 2.123 606 K HA 0.426 4.747 4.320 0.001 0.000 0.259 606 K C -0.170 176.461 176.600 0.051 0.000 0.960 606 K CA -1.091 55.218 56.287 0.035 0.000 0.872 606 K CB 1.252 33.765 32.500 0.021 0.000 1.079 606 K HN 0.112 nan 8.250 nan 0.000 0.440 607 L N 3.290 124.546 121.223 0.055 0.000 2.525 607 L HA 0.023 4.363 4.340 0.001 0.000 0.278 607 L C -0.470 176.429 176.870 0.049 0.000 1.218 607 L CA 0.497 55.374 54.840 0.061 0.000 0.878 607 L CB 0.115 42.204 42.059 0.050 0.000 1.127 607 L HN 0.469 nan 8.230 nan 0.000 0.492 608 L N 3.649 124.908 121.223 0.060 0.000 2.506 608 L HA 0.008 4.348 4.340 0.001 0.000 0.281 608 L C 0.713 177.588 176.870 0.009 0.000 1.228 608 L CA -0.050 54.807 54.840 0.030 0.000 0.850 608 L CB 0.187 42.254 42.059 0.014 0.000 1.110 608 L HN 0.661 nan 8.230 nan 0.000 0.496 609 E N 4.340 124.536 120.200 -0.005 0.000 2.452 609 E HA 0.032 4.383 4.350 0.001 0.000 0.261 609 E C -2.232 174.352 176.600 -0.027 0.000 0.987 609 E CA -1.119 55.269 56.400 -0.020 0.000 0.926 609 E CB 0.504 30.190 29.700 -0.023 0.000 0.934 609 E HN 0.179 nan 8.360 nan 0.000 0.452 610 P HA -0.181 nan 4.420 nan 0.000 0.257 610 P C -0.682 176.618 177.300 0.001 0.000 1.153 610 P CA 0.457 63.553 63.100 -0.006 0.000 0.762 610 P CB 0.322 32.010 31.700 -0.021 0.000 0.743 611 D N 3.102 123.496 120.400 -0.010 0.000 2.449 611 D HA 0.029 4.670 4.640 0.001 0.000 0.236 611 D C 0.013 176.312 176.300 -0.001 0.000 1.149 611 D CA 0.944 54.929 54.000 -0.025 0.000 0.878 611 D CB 0.497 41.265 40.800 -0.053 0.000 1.198 611 D HN 0.371 nan 8.370 nan 0.000 0.446 612 E N 0.030 120.218 120.200 -0.021 0.000 2.389 612 E HA 0.562 4.912 4.350 0.001 0.000 0.281 612 E C -1.366 175.209 176.600 -0.042 0.000 1.072 612 E CA -0.835 55.561 56.400 -0.006 0.000 0.845 612 E CB 1.344 31.061 29.700 0.028 0.000 1.239 612 E HN 0.495 nan 8.360 nan 0.000 0.434 613 G N 1.576 110.332 108.800 -0.074 0.000 2.579 613 G HA2 0.465 4.425 3.960 0.001 0.000 0.292 613 G HA3 0.465 4.425 3.960 0.001 0.000 0.292 613 G C -1.912 172.902 174.900 -0.142 0.000 1.484 613 G CA -0.681 44.375 45.100 -0.074 0.000 0.813 613 G HN 0.243 nan 8.290 nan 0.000 0.515 614 Q N -0.237 119.500 119.800 -0.106 0.000 2.353 614 Q HA 0.518 4.859 4.340 0.001 0.000 0.268 614 Q C -0.379 175.473 176.000 -0.246 0.000 1.045 614 Q CA -0.809 54.794 55.803 -0.333 0.000 0.811 614 Q CB 2.343 30.835 28.738 -0.410 0.000 1.305 614 Q HN 0.668 nan 8.270 nan 0.000 0.447 615 N N 1.151 119.625 118.700 -0.377 0.000 2.444 615 N HA 0.374 5.115 4.740 0.001 0.000 0.262 615 N C -1.586 173.765 175.510 -0.265 0.000 0.974 615 N CA -0.325 52.611 53.050 -0.191 0.000 0.933 615 N CB 0.600 38.973 38.487 -0.189 0.000 1.137 615 N HN 0.383 nan 8.380 nan 0.000 0.498 616 Y N 1.660 121.920 120.300 -0.066 0.000 2.328 616 Y HA 0.411 4.962 4.550 0.001 0.000 0.337 616 Y C 0.143 176.058 175.900 0.025 0.000 1.008 616 Y CA -0.697 57.399 58.100 -0.006 0.000 1.129 616 Y CB 1.350 39.792 38.460 -0.029 0.000 1.185 616 Y HN 0.525 nan 8.280 nan 0.000 0.476 617 E N 3.449 123.747 120.200 0.164 0.000 2.335 617 E HA 0.589 4.940 4.350 0.001 0.000 0.280 617 E C -2.102 174.513 176.600 0.026 0.000 0.918 617 E CA -0.641 55.833 56.400 0.123 0.000 0.765 617 E CB 2.122 31.914 29.700 0.153 0.000 1.218 617 E HN 0.706 nan 8.360 nan 0.000 0.425 618 I N 2.933 123.488 120.570 -0.026 0.000 2.647 618 I HA 0.835 5.005 4.170 0.001 0.000 0.295 618 I C -0.490 175.438 176.117 -0.315 0.000 1.078 618 I CA -0.278 60.908 61.300 -0.190 0.000 1.048 618 I CB 1.969 39.954 38.000 -0.026 0.000 1.239 618 I HN 0.650 nan 8.210 nan 0.000 0.421 619 G N 5.880 114.275 108.800 -0.675 0.000 2.550 619 G HA2 0.508 4.468 3.960 0.001 0.000 0.293 619 G HA3 0.508 4.468 3.960 0.001 0.000 0.293 619 G C -2.258 172.541 174.900 -0.169 0.000 1.402 619 G CA -0.583 44.275 45.100 -0.403 0.000 0.784 619 G HN 0.672 nan 8.290 nan 0.000 0.482 620 I N -0.142 120.517 120.570 0.148 0.000 2.498 620 I HA 0.662 4.833 4.170 0.001 0.000 0.290 620 I C -0.775 175.554 176.117 0.353 0.000 1.032 620 I CA -0.858 60.590 61.300 0.248 0.000 1.073 620 I CB 1.647 39.719 38.000 0.120 0.000 1.251 620 I HN 0.385 nan 8.210 nan 0.000 0.426 621 K N 5.198 125.816 120.400 0.364 0.000 2.316 621 K HA 0.726 5.046 4.320 0.001 0.000 0.251 621 K C -0.544 176.191 176.600 0.225 0.000 0.934 621 K CA -0.886 55.563 56.287 0.270 0.000 0.802 621 K CB 2.162 34.752 32.500 0.149 0.000 1.171 621 K HN 0.728 nan 8.250 nan 0.000 0.426 622 G N 0.944 109.827 108.800 0.139 0.000 2.453 622 G HA2 0.451 4.411 3.960 0.001 0.000 0.323 622 G HA3 0.451 4.411 3.960 0.001 0.000 0.323 622 G C -1.374 173.368 174.900 -0.264 0.000 1.198 622 G CA -0.259 44.694 45.100 -0.246 0.000 0.959 622 G HN 0.542 nan 8.290 nan 0.000 0.482 623 E N 0.013 119.788 120.200 -0.709 0.000 2.290 623 E HA 0.537 4.888 4.350 0.001 0.000 0.274 623 E C -1.637 174.605 176.600 -0.597 0.000 0.889 623 E CA -0.609 55.551 56.400 -0.401 0.000 0.760 623 E CB 1.940 31.509 29.700 -0.219 0.000 1.206 623 E HN 0.453 nan 8.360 nan 0.000 0.419 624 Y N 1.692 121.936 120.300 -0.093 0.000 2.581 624 Y HA 0.358 4.908 4.550 0.000 0.000 0.345 624 Y C 0.259 176.131 175.900 -0.047 0.000 1.036 624 Y CA -1.325 56.728 58.100 -0.077 0.000 1.042 624 Y CB 1.056 39.472 38.460 -0.073 0.000 1.289 624 Y HN 0.515 nan 8.280 nan 0.000 0.471 625 L N 2.378 123.675 121.223 0.124 0.000 3.829 625 L HA -0.341 3.999 4.340 0.001 0.000 0.440 625 L C -0.638 176.257 176.870 0.041 0.000 1.192 625 L CA 1.045 55.925 54.840 0.067 0.000 0.848 625 L CB -1.478 40.619 42.059 0.063 0.000 1.744 625 L HN 0.820 nan 8.230 nan 0.000 0.920 626 D N -1.098 119.314 120.400 0.019 0.000 2.746 626 D HA -0.198 4.442 4.640 0.001 0.000 0.236 626 D C 1.231 177.538 176.300 0.012 0.000 1.129 626 D CA 1.519 55.522 54.000 0.005 0.000 0.691 626 D CB -1.263 39.542 40.800 0.009 0.000 1.077 626 D HN 1.023 nan 8.370 nan 0.000 0.432 627 G N -0.203 108.607 108.800 0.018 0.000 2.143 627 G HA2 -0.426 3.534 3.960 0.001 0.000 0.249 627 G HA3 -0.426 3.534 3.960 0.001 0.000 0.249 627 G C 1.044 175.970 174.900 0.043 0.000 0.981 627 G CA 0.705 45.821 45.100 0.027 0.000 0.665 627 G HN 0.490 nan 8.290 nan 0.000 0.528 628 R N -1.270 119.259 120.500 0.049 0.000 2.189 628 R HA 0.356 4.696 4.340 0.001 0.000 0.218 628 R C 0.878 177.205 176.300 0.045 0.000 1.074 628 R CA 1.085 57.211 56.100 0.043 0.000 0.991 628 R CB 0.105 30.426 30.300 0.034 0.000 0.883 628 R HN 0.456 nan 8.270 nan 0.000 0.457 629 L N 0.390 121.660 121.223 0.079 0.000 2.410 629 L HA 0.394 4.734 4.340 0.001 0.000 0.270 629 L C -1.665 175.314 176.870 0.181 0.000 0.983 629 L CA -0.530 54.352 54.840 0.071 0.000 0.822 629 L CB 2.085 44.125 42.059 -0.031 0.000 1.285 629 L HN -0.091 nan 8.230 nan 0.000 0.409 630 N N 1.550 120.322 118.700 0.121 0.000 2.284 630 N HA 0.785 5.525 4.740 0.001 0.000 0.300 630 N C -1.134 174.466 175.510 0.150 0.000 1.047 630 N CA -0.567 52.575 53.050 0.153 0.000 0.821 630 N CB 2.051 40.589 38.487 0.084 0.000 1.337 630 N HN 0.713 nan 8.380 nan 0.000 0.482 631 T N -1.654 113.041 114.554 0.236 0.000 2.932 631 T HA 0.847 5.197 4.350 0.001 0.000 0.289 631 T C -0.502 174.317 174.700 0.198 0.000 1.039 631 T CA -0.805 61.419 62.100 0.208 0.000 1.024 631 T CB 1.460 70.498 68.868 0.283 0.000 1.090 631 T HN 0.440 nan 8.240 nan 0.000 0.496 632 S N 1.164 116.977 115.700 0.189 0.000 2.535 632 S HA 0.662 5.133 4.470 0.001 0.000 0.272 632 S C -1.555 173.177 174.600 0.220 0.000 1.149 632 S CA -1.001 57.325 58.200 0.211 0.000 0.888 632 S CB 1.508 64.814 63.200 0.177 0.000 1.110 632 S HN 0.976 nan 8.310 nan 0.000 0.463 633 L N 2.076 123.445 121.223 0.243 0.000 2.410 633 L HA 0.887 5.228 4.340 0.001 0.000 0.270 633 L C -0.850 176.171 176.870 0.252 0.000 0.983 633 L CA -0.613 54.361 54.840 0.223 0.000 0.822 633 L CB 1.844 43.994 42.059 0.153 0.000 1.285 633 L HN 1.181 nan 8.230 nan 0.000 0.409 634 A N 3.420 126.415 122.820 0.291 0.000 2.486 634 A HA 0.557 4.877 4.320 0.001 0.000 0.300 634 A C -2.226 175.567 177.584 0.348 0.000 1.048 634 A CA -0.402 51.815 52.037 0.299 0.000 0.696 634 A CB 1.575 20.798 19.000 0.373 0.000 1.278 634 A HN 0.606 nan 8.150 nan 0.000 0.405 635 Y N 2.431 122.817 120.300 0.142 0.000 2.342 635 Y HA 0.714 5.265 4.550 0.001 0.000 0.334 635 Y C -0.766 175.210 175.900 0.127 0.000 1.067 635 Y CA -1.186 56.959 58.100 0.076 0.000 1.128 635 Y CB 0.984 39.453 38.460 0.015 0.000 1.200 635 Y HN 0.810 nan 8.280 nan 0.000 0.464 636 F N 1.308 120.843 119.950 -0.693 0.000 2.715 636 F HA 0.791 5.319 4.527 0.001 0.000 0.318 636 F C -1.703 173.812 175.800 -0.476 0.000 1.141 636 F CA -1.473 56.279 58.000 -0.412 0.000 0.950 636 F CB 1.857 40.766 39.000 -0.150 0.000 1.374 636 F HN 0.411 nan 8.300 nan 0.000 0.477 637 E N 1.369 121.696 120.200 0.212 0.000 2.531 637 E HA 0.405 4.755 4.350 0.001 0.000 0.323 637 E C -1.892 174.926 176.600 0.362 0.000 0.908 637 E CA -0.342 56.180 56.400 0.204 0.000 0.792 637 E CB 1.898 31.669 29.700 0.118 0.000 1.360 637 E HN 0.692 nan 8.360 nan 0.000 0.394 638 I N 3.952 124.750 120.570 0.380 0.000 2.315 638 I HA 0.213 4.384 4.170 0.001 0.000 0.291 638 I C -0.077 176.311 176.117 0.452 0.000 1.006 638 I CA -0.366 61.141 61.300 0.345 0.000 1.265 638 I CB 0.709 38.886 38.000 0.296 0.000 1.387 638 I HN 0.414 nan 8.210 nan 0.000 0.475 639 H N 6.281 125.470 119.070 0.199 0.000 2.685 639 H HA 0.232 4.788 4.556 0.001 0.000 0.286 639 H C -0.356 175.045 175.328 0.121 0.000 1.102 639 H CA -0.480 55.670 56.048 0.171 0.000 1.254 639 H CB 1.033 30.933 29.762 0.230 0.000 1.397 639 H HN 0.578 nan 8.280 nan 0.000 0.473 640 E N 4.007 124.335 120.200 0.213 0.000 2.277 640 E HA 0.106 4.457 4.350 0.001 0.000 0.274 640 E C -0.548 176.112 176.600 0.101 0.000 1.022 640 E CA -0.700 55.788 56.400 0.147 0.000 0.853 640 E CB 0.966 30.805 29.700 0.232 0.000 1.086 640 E HN 0.680 nan 8.360 nan 0.000 0.397 641 E N 3.295 123.535 120.200 0.067 0.000 2.408 641 E HA 0.231 4.581 4.350 0.001 0.000 0.275 641 E C -0.628 175.983 176.600 0.018 0.000 0.935 641 E CA -1.027 55.400 56.400 0.044 0.000 0.775 641 E CB 0.751 30.483 29.700 0.054 0.000 1.277 641 E HN 0.588 nan 8.360 nan 0.000 0.455 642 N N 0.747 119.450 118.700 0.004 0.000 2.714 642 N HA -0.227 4.513 4.740 0.001 0.000 0.252 642 N C -0.403 175.080 175.510 -0.044 0.000 1.014 642 N CA 1.027 54.065 53.050 -0.020 0.000 0.735 642 N CB -1.036 37.437 38.487 -0.024 0.000 0.924 642 N HN 0.577 nan 8.380 nan 0.000 0.540 643 R N 0.543 121.025 120.500 -0.030 0.000 2.298 643 R HA 0.415 4.756 4.340 0.001 0.000 0.310 643 R C 0.240 176.480 176.300 -0.100 0.000 1.068 643 R CA -0.158 55.913 56.100 -0.049 0.000 0.957 643 R CB 0.542 30.846 30.300 0.007 0.000 1.003 643 R HN 0.189 nan 8.270 nan 0.000 0.454 644 A N 4.972 127.652 122.820 -0.234 0.000 2.906 644 A HA 0.086 4.407 4.320 0.001 0.000 0.289 644 A C -0.254 177.266 177.584 -0.107 0.000 1.675 644 A CA -0.270 51.575 52.037 -0.319 0.000 1.372 644 A CB -0.236 18.159 19.000 -1.008 0.000 1.091 644 A HN 0.790 nan 8.150 nan 0.000 0.579 645 E N 0.438 120.651 120.200 0.021 0.000 2.392 645 E HA 0.076 4.426 4.350 0.001 0.000 0.259 645 E C 1.284 178.026 176.600 0.237 0.000 1.108 645 E CA -0.207 56.257 56.400 0.106 0.000 0.916 645 E CB 0.522 30.251 29.700 0.049 0.000 0.989 645 E HN 0.660 nan 8.360 nan 0.000 0.432 646 E N 1.514 121.834 120.200 0.199 0.000 2.028 646 E HA -0.223 4.128 4.350 0.001 0.000 0.191 646 E C -0.387 176.053 176.600 -0.267 0.000 0.988 646 E CA 1.440 57.845 56.400 0.009 0.000 0.799 646 E CB 0.182 29.889 29.700 0.011 0.000 0.755 646 E HN 0.538 nan 8.360 nan 0.000 0.447 647 D N -1.860 118.460 120.400 -0.133 0.000 3.035 647 D HA -0.090 4.550 4.640 0.001 0.000 0.221 647 D C 0.142 176.382 176.300 -0.100 0.000 1.005 647 D CA 0.778 54.709 54.000 -0.116 0.000 0.906 647 D CB -1.290 39.432 40.800 -0.131 0.000 0.940 647 D HN 0.243 nan 8.370 nan 0.000 0.422 648 A N 0.846 123.631 122.820 -0.058 0.000 1.969 648 A HA -0.060 4.260 4.320 0.001 0.000 0.218 648 A C 2.103 179.674 177.584 -0.022 0.000 1.169 648 A CA 1.511 53.525 52.037 -0.038 0.000 0.635 648 A CB -0.105 18.886 19.000 -0.014 0.000 0.810 648 A HN 0.463 nan 8.150 nan 0.000 0.445 649 L N -1.574 119.646 121.223 -0.004 0.000 2.007 649 L HA -0.070 4.270 4.340 0.001 0.000 0.205 649 L C 2.243 179.115 176.870 0.002 0.000 1.073 649 L CA 2.339 57.180 54.840 0.002 0.000 0.744 649 L CB -1.260 40.808 42.059 0.015 0.000 0.898 649 L HN 0.497 nan 8.230 nan 0.000 0.435 650 Y N 1.094 121.353 120.300 -0.069 0.000 2.081 650 Y HA -0.328 4.223 4.550 0.001 0.000 0.280 650 Y C 2.333 178.191 175.900 -0.071 0.000 1.163 650 Y CA 2.355 60.414 58.100 -0.068 0.000 1.135 650 Y CB -0.514 37.895 38.460 -0.086 0.000 0.970 650 Y HN 0.401 nan 8.280 nan 0.000 0.498 651 N N 0.033 118.698 118.700 -0.060 0.000 2.430 651 N HA -0.165 4.576 4.740 0.001 0.000 0.186 651 N C 1.990 177.440 175.510 -0.100 0.000 1.032 651 N CA 1.362 54.349 53.050 -0.104 0.000 0.893 651 N CB -0.678 37.747 38.487 -0.104 0.000 0.957 651 N HN 0.602 nan 8.380 nan 0.000 0.442 652 S N 0.250 115.891 115.700 -0.099 0.000 2.406 652 S HA -0.085 4.385 4.470 0.001 0.000 0.228 652 S C 0.687 175.228 174.600 -0.098 0.000 1.020 652 S CA 0.505 58.663 58.200 -0.069 0.000 0.965 652 S CB -0.194 62.980 63.200 -0.044 0.000 0.798 652 S HN 0.524 nan 8.310 nan 0.000 0.488 653 K N 0.895 121.196 120.400 -0.166 0.000 2.761 653 K HA 0.436 4.757 4.320 0.001 0.000 0.257 653 K C -3.471 172.922 176.600 -0.346 0.000 1.053 653 K CA -1.746 54.428 56.287 -0.189 0.000 1.035 653 K CB 1.268 33.700 32.500 -0.113 0.000 1.267 653 K HN -0.038 nan 8.250 nan 0.000 0.505 654 P HA -0.038 nan 4.420 nan 0.000 0.266 654 P C -0.077 177.018 177.300 -0.341 0.000 1.193 654 P CA 0.046 62.681 63.100 -0.776 0.000 0.770 654 P CB 1.028 32.497 31.700 -0.385 0.000 0.836 655 T N -1.760 112.695 114.554 -0.164 0.000 2.989 655 T HA 0.045 4.395 4.350 0.001 0.000 0.250 655 T C 0.640 175.417 174.700 0.128 0.000 0.981 655 T CA 0.079 62.206 62.100 0.045 0.000 0.980 655 T CB -0.255 68.675 68.868 0.103 0.000 1.133 655 T HN 0.373 nan 8.240 nan 0.000 0.489 656 N N 3.586 122.443 118.700 0.262 0.000 2.462 656 N HA 0.266 5.006 4.740 0.001 0.000 0.242 656 N C -1.785 173.830 175.510 0.175 0.000 1.010 656 N CA -2.484 50.681 53.050 0.191 0.000 0.939 656 N CB 1.467 40.050 38.487 0.159 0.000 1.127 656 N HN -0.062 nan 8.380 nan 0.000 0.509 657 P HA -0.127 nan 4.420 nan 0.000 0.223 657 P C 0.800 178.157 177.300 0.095 0.000 1.144 657 P CA 0.689 63.843 63.100 0.089 0.000 0.783 657 P CB 0.151 31.888 31.700 0.061 0.000 0.771 658 A N -0.422 122.455 122.820 0.094 0.000 2.024 658 A HA -0.053 4.268 4.320 0.001 0.000 0.220 658 A C 1.387 179.035 177.584 0.107 0.000 1.164 658 A CA 0.957 53.047 52.037 0.087 0.000 0.643 658 A CB -0.796 18.247 19.000 0.072 0.000 0.806 658 A HN 0.347 nan 8.150 nan 0.000 0.451 659 I N -1.687 118.966 120.570 0.138 0.000 2.586 659 I HA 0.230 4.401 4.170 0.001 0.000 0.288 659 I C 0.482 176.749 176.117 0.251 0.000 1.147 659 I CA -0.248 61.154 61.300 0.170 0.000 1.047 659 I CB 2.001 40.079 38.000 0.131 0.000 1.244 659 I HN 0.035 nan 8.210 nan 0.000 0.429 660 T N 5.735 120.425 114.554 0.227 0.000 3.057 660 T HA 0.091 4.442 4.350 0.001 0.000 0.254 660 T C -0.466 174.415 174.700 0.302 0.000 1.094 660 T CA 0.835 63.066 62.100 0.218 0.000 1.088 660 T CB -0.149 68.801 68.868 0.136 0.000 0.934 660 T HN 0.444 nan 8.240 nan 0.000 0.497 661 Y N 1.814 122.197 120.300 0.139 0.000 2.327 661 Y HA 0.623 5.173 4.550 0.001 0.000 0.325 661 Y C -0.667 175.239 175.900 0.009 0.000 0.999 661 Y CA -1.669 56.468 58.100 0.063 0.000 1.195 661 Y CB 0.640 39.108 38.460 0.014 0.000 1.132 661 Y HN 0.104 nan 8.280 nan 0.000 0.455 662 A N 4.518 127.118 122.820 -0.368 0.000 2.322 662 A HA 0.824 5.144 4.320 0.001 0.000 0.327 662 A C -2.055 175.119 177.584 -0.684 0.000 1.134 662 A CA -0.520 51.319 52.037 -0.331 0.000 0.831 662 A CB 0.908 19.690 19.000 -0.363 0.000 1.288 662 A HN 0.691 nan 8.150 nan 0.000 0.472 663 Y N 0.124 120.390 120.300 -0.056 0.000 2.524 663 Y HA 0.526 5.076 4.550 0.001 0.000 0.344 663 Y C 0.524 176.398 175.900 -0.043 0.000 1.012 663 Y CA -0.618 57.472 58.100 -0.015 0.000 1.068 663 Y CB 2.081 40.616 38.460 0.124 0.000 1.249 663 Y HN 0.767 nan 8.280 nan 0.000 0.468 664 K N 0.094 120.551 120.400 0.096 0.000 2.258 664 K HA 0.863 5.184 4.320 0.001 0.000 0.236 664 K C -0.268 176.356 176.600 0.041 0.000 1.008 664 K CA -1.239 55.076 56.287 0.045 0.000 0.869 664 K CB 1.626 34.128 32.500 0.005 0.000 1.171 664 K HN 0.743 nan 8.250 nan 0.000 0.447 665 G N 1.768 110.575 108.800 0.011 0.000 2.325 665 G HA2 0.505 4.466 3.960 0.001 0.000 0.298 665 G HA3 0.505 4.466 3.960 0.001 0.000 0.298 665 G C -0.239 174.659 174.900 -0.003 0.000 1.134 665 G CA -0.921 44.175 45.100 -0.008 0.000 0.876 665 G HN 0.720 nan 8.290 nan 0.000 0.452 666 I N -1.328 119.238 120.570 -0.005 0.000 3.002 666 I HA 0.680 4.850 4.170 0.001 0.000 0.310 666 I C -0.425 175.696 176.117 0.006 0.000 1.087 666 I CA -1.472 59.828 61.300 0.000 0.000 1.017 666 I CB 2.350 40.350 38.000 -0.000 0.000 1.226 666 I HN 0.217 nan 8.210 nan 0.000 0.443 667 K N 2.317 122.722 120.400 0.008 0.000 2.258 667 K HA 0.679 4.999 4.320 0.001 0.000 0.264 667 K C -0.412 176.194 176.600 0.010 0.000 1.007 667 K CA -0.292 56.003 56.287 0.014 0.000 0.941 667 K CB 1.281 33.780 32.500 -0.001 0.000 0.966 667 K HN 0.786 nan 8.250 nan 0.000 0.480 668 A N 2.010 124.847 122.820 0.028 0.000 2.569 668 A HA 0.620 4.941 4.320 0.001 0.000 0.290 668 A C -1.464 176.133 177.584 0.022 0.000 1.136 668 A CA -0.709 51.337 52.037 0.015 0.000 0.710 668 A CB 1.625 20.640 19.000 0.025 0.000 1.303 668 A HN 0.619 nan 8.150 nan 0.000 0.413 669 K N 0.256 120.652 120.400 -0.006 0.000 2.482 669 K HA 0.607 4.927 4.320 0.001 0.000 0.251 669 K C -1.464 175.154 176.600 0.029 0.000 0.936 669 K CA -0.242 56.042 56.287 -0.004 0.000 0.791 669 K CB 2.128 34.567 32.500 -0.101 0.000 1.213 669 K HN 0.712 nan 8.250 nan 0.000 0.428 670 T N 3.362 117.985 114.554 0.114 0.000 2.794 670 T HA 0.397 4.747 4.350 0.001 0.000 0.280 670 T C -0.914 173.845 174.700 0.099 0.000 0.987 670 T CA -0.642 61.517 62.100 0.100 0.000 0.993 670 T CB 1.109 70.099 68.868 0.204 0.000 0.939 670 T HN 0.360 nan 8.240 nan 0.000 0.449 671 K N 1.419 121.820 120.400 0.002 0.000 2.345 671 K HA 0.776 5.096 4.320 0.001 0.000 0.255 671 K C -0.009 176.436 176.600 -0.258 0.000 0.934 671 K CA -0.607 55.631 56.287 -0.082 0.000 0.801 671 K CB 2.214 34.754 32.500 0.067 0.000 1.137 671 K HN 0.831 nan 8.250 nan 0.000 0.424 672 G N 1.203 109.553 108.800 -0.751 0.000 2.506 672 G HA2 0.424 4.385 3.960 0.001 0.000 0.292 672 G HA3 0.424 4.385 3.960 0.001 0.000 0.292 672 G C -2.086 172.150 174.900 -1.108 0.000 1.425 672 G CA -0.771 43.820 45.100 -0.847 0.000 0.788 672 G HN 0.480 nan 8.290 nan 0.000 0.490 673 Y N -1.619 118.481 120.300 -0.333 0.000 2.698 673 Y HA 0.903 5.453 4.550 0.001 0.000 0.332 673 Y C -0.398 175.678 175.900 0.293 0.000 1.119 673 Y CA -1.464 56.630 58.100 -0.010 0.000 1.109 673 Y CB 2.176 40.741 38.460 0.175 0.000 1.308 673 Y HN 0.683 nan 8.280 nan 0.000 0.499 674 E N 0.729 121.240 120.200 0.518 0.000 2.415 674 E HA 0.612 4.962 4.350 0.001 0.000 0.302 674 E C -1.875 174.941 176.600 0.360 0.000 0.907 674 E CA -0.617 56.027 56.400 0.407 0.000 0.798 674 E CB 1.511 31.417 29.700 0.343 0.000 1.315 674 E HN 1.066 nan 8.360 nan 0.000 0.396 675 A N 4.189 127.219 122.820 0.351 0.000 2.303 675 A HA 0.741 5.062 4.320 0.001 0.000 0.317 675 A C -0.649 177.055 177.584 0.198 0.000 1.149 675 A CA -0.336 51.854 52.037 0.255 0.000 0.822 675 A CB 0.759 19.895 19.000 0.227 0.000 1.131 675 A HN 0.642 nan 8.150 nan 0.000 0.493 676 E N 0.996 121.289 120.200 0.155 0.000 2.375 676 E HA 0.578 4.929 4.350 0.001 0.000 0.280 676 E C -1.644 175.011 176.600 0.092 0.000 0.972 676 E CA -0.604 55.863 56.400 0.113 0.000 0.782 676 E CB 1.561 31.314 29.700 0.088 0.000 1.229 676 E HN 0.569 nan 8.360 nan 0.000 0.439 677 I N 1.622 122.230 120.570 0.063 0.000 2.509 677 I HA 0.529 4.699 4.170 0.001 0.000 0.293 677 I C -1.455 174.681 176.117 0.032 0.000 1.020 677 I CA -0.360 60.959 61.300 0.033 0.000 1.088 677 I CB 1.629 39.619 38.000 -0.015 0.000 1.267 677 I HN 0.762 nan 8.210 nan 0.000 0.430 678 S N 5.023 120.743 115.700 0.033 0.000 2.614 678 S HA 0.973 5.444 4.470 0.001 0.000 0.275 678 S C -0.449 174.176 174.600 0.042 0.000 1.161 678 S CA -0.029 58.205 58.200 0.056 0.000 0.969 678 S CB 1.477 64.720 63.200 0.072 0.000 1.059 678 S HN 1.458 nan 8.310 nan 0.000 0.482 679 G N 1.713 110.537 108.800 0.040 0.000 2.250 679 G HA2 0.132 4.092 3.960 0.001 0.000 0.252 679 G HA3 0.132 4.092 3.960 0.001 0.000 0.252 679 G C -1.417 173.438 174.900 -0.075 0.000 1.325 679 G CA -0.477 44.629 45.100 0.010 0.000 1.091 679 G HN 0.980 nan 8.290 nan 0.000 0.476 680 E N 0.111 120.271 120.200 -0.067 0.000 2.152 680 E HA 0.446 4.796 4.350 0.001 0.000 0.285 680 E C 0.459 176.977 176.600 -0.136 0.000 1.043 680 E CA -0.599 55.750 56.400 -0.085 0.000 0.839 680 E CB 0.907 30.592 29.700 -0.026 0.000 1.069 680 E HN 0.354 nan 8.360 nan 0.000 0.399 681 L N 4.339 125.426 121.223 -0.225 0.000 2.554 681 L HA 0.394 4.734 4.340 0.001 0.000 0.225 681 L C -0.156 176.649 176.870 -0.109 0.000 1.104 681 L CA 0.682 55.313 54.840 -0.347 0.000 0.866 681 L CB 0.266 41.814 42.059 -0.852 0.000 1.047 681 L HN 0.664 nan 8.230 nan 0.000 0.468 682 A N -2.830 120.035 122.820 0.074 0.000 2.522 682 A HA 0.468 4.788 4.320 0.001 0.000 0.294 682 A C -2.265 175.434 177.584 0.191 0.000 1.001 682 A CA -0.592 51.559 52.037 0.190 0.000 0.642 682 A CB -0.406 18.815 19.000 0.368 0.000 1.326 682 A HN -0.142 nan 8.150 nan 0.000 0.435 683 P HA -0.194 nan 4.420 nan 0.000 0.221 683 P C 1.234 178.578 177.300 0.073 0.000 1.160 683 P CA 2.790 65.941 63.100 0.085 0.000 0.933 683 P CB 0.179 31.918 31.700 0.066 0.000 0.793 684 G N -3.706 105.143 108.800 0.082 0.000 3.609 684 G HA2 0.141 4.102 3.960 0.001 0.000 0.280 684 G HA3 0.141 4.102 3.960 0.001 0.000 0.280 684 G C -1.083 173.894 174.900 0.128 0.000 1.155 684 G CA -0.159 44.942 45.100 0.002 0.000 0.876 684 G HN 0.142 nan 8.290 nan 0.000 0.535 685 W N 2.037 123.340 121.300 0.005 0.000 2.453 685 W HA 0.519 5.179 4.660 0.000 0.000 0.310 685 W C -0.630 175.848 176.519 -0.069 0.000 1.000 685 W CA -1.637 55.744 57.345 0.060 0.000 1.367 685 W CB 0.840 30.395 29.460 0.158 0.000 1.269 685 W HN -0.061 nan 8.180 nan 0.000 0.418 686 Q N 3.700 123.466 119.800 -0.057 0.000 2.227 686 Q HA 0.611 4.951 4.340 0.001 0.000 0.245 686 Q C -0.188 175.642 176.000 -0.283 0.000 0.926 686 Q CA -0.644 54.943 55.803 -0.361 0.000 0.895 686 Q CB 2.403 30.601 28.738 -0.900 0.000 1.230 686 Q HN 0.410 nan 8.270 nan 0.000 0.450 687 V N -1.089 118.736 119.914 -0.147 0.000 2.962 687 V HA 0.700 4.821 4.120 0.001 0.000 0.313 687 V C -0.914 175.335 176.094 0.259 0.000 1.099 687 V CA -1.025 61.314 62.300 0.066 0.000 0.971 687 V CB 2.024 33.787 31.823 -0.099 0.000 1.028 687 V HN 0.813 nan 8.190 nan 0.000 0.430 688 Q N 1.920 121.896 119.800 0.292 0.000 2.285 688 Q HA 0.847 5.187 4.340 0.001 0.000 0.269 688 Q C -1.152 174.920 176.000 0.120 0.000 1.030 688 Q CA -0.298 55.607 55.803 0.171 0.000 0.788 688 Q CB 2.085 30.907 28.738 0.140 0.000 1.266 688 Q HN 1.664 nan 8.270 nan 0.000 0.438 689 A N 2.241 125.102 122.820 0.068 0.000 2.549 689 A HA 0.951 5.271 4.320 0.001 0.000 0.297 689 A C -0.955 176.662 177.584 0.055 0.000 1.061 689 A CA -0.091 51.970 52.037 0.041 0.000 0.690 689 A CB 1.936 20.948 19.000 0.019 0.000 1.287 689 A HN 0.853 nan 8.150 nan 0.000 0.402 690 G N -0.795 108.040 108.800 0.057 0.000 2.694 690 G HA2 0.604 4.564 3.960 0.001 0.000 0.290 690 G HA3 0.604 4.564 3.960 0.001 0.000 0.290 690 G C -2.127 172.860 174.900 0.145 0.000 1.386 690 G CA -0.482 44.672 45.100 0.090 0.000 0.872 690 G HN 1.074 nan 8.290 nan 0.000 0.475 691 Y N 0.137 120.479 120.300 0.071 0.000 2.406 691 Y HA 0.677 5.227 4.550 0.000 0.000 0.340 691 Y C -0.470 175.485 175.900 0.091 0.000 0.975 691 Y CA -0.435 57.718 58.100 0.088 0.000 1.056 691 Y CB 2.570 41.106 38.460 0.126 0.000 1.210 691 Y HN 0.569 nan 8.280 nan 0.000 0.448 692 T N 4.885 119.183 114.554 -0.427 0.000 2.921 692 T HA 0.249 4.599 4.350 0.001 0.000 0.297 692 T C -1.996 172.523 174.700 -0.302 0.000 1.013 692 T CA -0.580 61.409 62.100 -0.185 0.000 0.990 692 T CB 0.795 69.584 68.868 -0.131 0.000 1.023 692 T HN 0.639 nan 8.240 nan 0.000 0.447 693 H N 2.325 121.167 119.070 -0.379 0.000 2.538 693 H HA 0.715 5.271 4.556 0.001 0.000 0.353 693 H C -0.677 174.490 175.328 -0.269 0.000 1.109 693 H CA -0.691 55.107 56.048 -0.418 0.000 1.192 693 H CB 0.938 30.240 29.762 -0.766 0.000 1.555 693 H HN 0.575 nan 8.280 nan 0.000 0.518 694 K N 4.281 124.258 120.400 -0.705 0.000 2.508 694 K HA 0.580 4.900 4.320 0.001 0.000 0.260 694 K C -1.936 174.340 176.600 -0.539 0.000 0.949 694 K CA -0.693 55.315 56.287 -0.466 0.000 0.834 694 K CB 1.510 33.881 32.500 -0.216 0.000 1.365 694 K HN 0.515 nan 8.250 nan 0.000 0.437 695 I N 2.963 123.343 120.570 -0.316 0.000 2.571 695 I HA 0.414 4.584 4.170 0.001 0.000 0.289 695 I C -1.152 174.884 176.117 -0.135 0.000 1.115 695 I CA -0.924 60.255 61.300 -0.202 0.000 1.045 695 I CB 1.910 39.843 38.000 -0.112 0.000 1.238 695 I HN 0.709 nan 8.210 nan 0.000 0.424 696 I N 6.367 126.840 120.570 -0.161 0.000 2.406 696 I HA 0.520 4.690 4.170 0.001 0.000 0.290 696 I C -0.789 175.257 176.117 -0.118 0.000 0.999 696 I CA -0.388 60.824 61.300 -0.147 0.000 1.124 696 I CB 0.978 38.820 38.000 -0.264 0.000 1.289 696 I HN 0.633 nan 8.210 nan 0.000 0.441 697 R N 5.119 125.574 120.500 -0.075 0.000 2.744 697 R HA 0.387 4.728 4.340 0.001 0.000 0.279 697 R C -1.188 175.084 176.300 -0.046 0.000 0.977 697 R CA -1.085 54.982 56.100 -0.054 0.000 0.906 697 R CB 1.432 31.712 30.300 -0.032 0.000 1.197 697 R HN 0.509 nan 8.270 nan 0.000 0.463 698 D N 1.767 122.144 120.400 -0.039 0.000 2.563 698 D HA -0.126 4.514 4.640 0.001 0.000 0.229 698 D C 0.983 177.266 176.300 -0.028 0.000 1.159 698 D CA 0.804 54.788 54.000 -0.028 0.000 0.869 698 D CB 0.471 41.258 40.800 -0.022 0.000 1.203 698 D HN 0.550 nan 8.370 nan 0.000 0.478 699 D N 0.732 121.117 120.400 -0.025 0.000 4.742 699 D HA -0.299 4.341 4.640 0.001 0.000 0.284 699 D C 1.573 177.861 176.300 -0.020 0.000 1.470 699 D CA 2.777 56.764 54.000 -0.022 0.000 0.932 699 D CB -0.357 40.435 40.800 -0.014 0.000 0.901 699 D HN 0.432 nan 8.370 nan 0.000 0.689 700 S N -2.019 113.671 115.700 -0.017 0.000 2.593 700 S HA 0.333 4.803 4.470 0.001 0.000 0.217 700 S C 1.597 176.188 174.600 -0.015 0.000 0.966 700 S CA 0.954 59.145 58.200 -0.015 0.000 0.914 700 S CB 0.748 63.939 63.200 -0.015 0.000 0.776 700 S HN 0.690 nan 8.310 nan 0.000 0.523 701 G N 1.683 110.473 108.800 -0.016 0.000 2.157 701 G HA2 -0.310 3.650 3.960 0.001 0.000 0.248 701 G HA3 -0.310 3.650 3.960 0.001 0.000 0.248 701 G C -0.062 174.834 174.900 -0.006 0.000 0.979 701 G CA 0.227 45.320 45.100 -0.012 0.000 0.650 701 G HN 0.960 nan 8.290 nan 0.000 0.529 702 K N 0.973 121.367 120.400 -0.011 0.000 2.326 702 K HA 0.557 4.878 4.320 0.001 0.000 0.275 702 K C 0.678 177.276 176.600 -0.004 0.000 1.018 702 K CA -0.406 55.879 56.287 -0.004 0.000 0.962 702 K CB 0.743 33.233 32.500 -0.016 0.000 0.953 702 K HN 0.189 nan 8.250 nan 0.000 0.475 703 K N 1.506 121.921 120.400 0.025 0.000 2.149 703 K HA 0.347 4.668 4.320 0.001 0.000 0.245 703 K C -0.870 175.703 176.600 -0.045 0.000 1.024 703 K CA -0.693 55.598 56.287 0.006 0.000 0.899 703 K CB 1.233 33.787 32.500 0.091 0.000 1.038 703 K HN 0.369 nan 8.250 nan 0.000 0.496 704 V N 0.219 120.061 119.914 -0.121 0.000 3.098 704 V HA 0.019 4.139 4.120 0.001 0.000 0.294 704 V C -1.063 174.881 176.094 -0.249 0.000 1.351 704 V CA -0.687 61.520 62.300 -0.155 0.000 0.999 704 V CB 2.109 33.855 31.823 -0.128 0.000 1.104 704 V HN 0.946 nan 8.190 nan 0.000 0.438 705 S N 1.241 116.803 115.700 -0.229 0.000 3.631 705 S HA -0.202 4.268 4.470 0.001 0.000 0.366 705 S C 1.348 175.684 174.600 -0.439 0.000 0.993 705 S CA 1.245 59.262 58.200 -0.304 0.000 1.167 705 S CB -1.209 61.742 63.200 -0.415 0.000 0.909 705 S HN 1.400 nan 8.310 nan 0.000 0.478 706 T N -2.568 111.726 114.554 -0.434 0.000 2.951 706 T HA -0.116 4.235 4.350 0.001 0.000 0.268 706 T C 1.294 175.551 174.700 -0.738 0.000 1.073 706 T CA 0.914 62.528 62.100 -0.810 0.000 1.134 706 T CB -0.367 67.820 68.868 -1.133 0.000 0.884 706 T HN 0.747 nan 8.240 nan 0.000 0.479 707 W N 2.277 123.236 121.300 -0.568 0.000 2.374 707 W HA 0.062 4.722 4.660 0.001 0.000 0.288 707 W C 0.841 177.150 176.519 -0.350 0.000 1.218 707 W CA 0.484 57.625 57.345 -0.340 0.000 1.245 707 W CB 0.057 29.444 29.460 -0.121 0.000 1.126 707 W HN 0.369 nan 8.180 nan 0.000 0.545 708 E N 2.462 122.282 120.200 -0.633 0.000 2.366 708 E HA 0.022 4.372 4.350 0.001 0.000 0.266 708 E C -2.153 174.093 176.600 -0.589 0.000 1.015 708 E CA -1.704 54.221 56.400 -0.790 0.000 0.906 708 E CB 0.796 29.765 29.700 -1.219 0.000 0.979 708 E HN -0.168 nan 8.360 nan 0.000 0.443 709 P HA 0.007 nan 4.420 nan 0.000 0.278 709 P C -0.233 176.843 177.300 -0.373 0.000 1.238 709 P CA 0.060 62.905 63.100 -0.425 0.000 0.794 709 P CB 0.987 32.412 31.700 -0.458 0.000 0.955 710 Q N 0.574 120.210 119.800 -0.273 0.000 2.226 710 Q HA -0.087 4.253 4.340 0.001 0.000 0.204 710 Q C -0.358 175.503 176.000 -0.231 0.000 0.975 710 Q CA 1.420 57.067 55.803 -0.259 0.000 0.866 710 Q CB -0.092 28.577 28.738 -0.115 0.000 0.915 710 Q HN 0.615 nan 8.270 nan 0.000 0.440 711 D N -0.046 120.245 120.400 -0.183 0.000 2.780 711 D HA 0.205 4.845 4.640 0.001 0.000 0.242 711 D C -0.926 175.113 176.300 -0.435 0.000 1.135 711 D CA -0.515 53.379 54.000 -0.178 0.000 0.859 711 D CB 1.373 42.285 40.800 0.185 0.000 1.530 711 D HN 0.028 nan 8.370 nan 0.000 0.493 712 Q N 1.051 120.533 119.800 -0.530 0.000 2.495 712 Q HA 0.784 5.125 4.340 0.001 0.000 0.287 712 Q C -1.889 173.815 176.000 -0.493 0.000 1.078 712 Q CA -1.217 54.273 55.803 -0.521 0.000 0.793 712 Q CB 2.303 30.771 28.738 -0.449 0.000 1.459 712 Q HN 0.387 nan 8.270 nan 0.000 0.422 713 L N 0.400 121.483 121.223 -0.234 0.000 2.422 713 L HA 0.749 5.090 4.340 0.001 0.000 0.264 713 L C -1.577 175.246 176.870 -0.079 0.000 0.984 713 L CA -0.086 54.735 54.840 -0.032 0.000 0.819 713 L CB 2.719 44.897 42.059 0.198 0.000 1.330 713 L HN 0.800 nan 8.230 nan 0.000 0.410 714 S N 3.912 119.586 115.700 -0.045 0.000 2.548 714 S HA 0.831 5.302 4.470 0.001 0.000 0.276 714 S C -1.650 172.863 174.600 -0.144 0.000 1.129 714 S CA -0.458 57.672 58.200 -0.116 0.000 0.931 714 S CB 1.433 64.602 63.200 -0.052 0.000 1.068 714 S HN 0.721 nan 8.310 nan 0.000 0.480 715 L N 4.312 125.305 121.223 -0.383 0.000 2.596 715 L HA 0.577 4.917 4.340 0.001 0.000 0.265 715 L C -2.250 174.264 176.870 -0.594 0.000 0.962 715 L CA -0.433 54.232 54.840 -0.290 0.000 0.891 715 L CB 0.921 42.915 42.059 -0.108 0.000 1.248 715 L HN 0.699 nan 8.230 nan 0.000 0.410 716 Y N 2.816 123.104 120.300 -0.020 0.000 2.331 716 Y HA 0.655 5.206 4.550 0.001 0.000 0.334 716 Y C 0.149 176.196 175.900 0.245 0.000 0.960 716 Y CA -0.591 57.488 58.100 -0.036 0.000 1.130 716 Y CB 2.416 40.659 38.460 -0.361 0.000 1.164 716 Y HN 0.436 nan 8.280 nan 0.000 0.458 717 T N 2.415 117.301 114.554 0.553 0.000 2.916 717 T HA 0.625 4.975 4.350 0.001 0.000 0.298 717 T C -0.954 174.109 174.700 0.606 0.000 1.031 717 T CA -0.630 61.786 62.100 0.526 0.000 0.993 717 T CB 0.755 69.855 68.868 0.387 0.000 1.045 717 T HN 0.657 nan 8.240 nan 0.000 0.454 718 S N 3.772 119.738 115.700 0.443 0.000 2.568 718 S HA 0.770 5.240 4.470 0.001 0.000 0.302 718 S C -1.532 173.257 174.600 0.315 0.000 1.082 718 S CA -0.672 57.712 58.200 0.307 0.000 1.009 718 S CB 1.643 64.968 63.200 0.208 0.000 1.069 718 S HN 0.716 nan 8.310 nan 0.000 0.500 719 Y N 1.384 121.674 120.300 -0.017 0.000 2.391 719 Y HA 0.583 5.133 4.550 0.001 0.000 0.341 719 Y C -0.743 174.982 175.900 -0.291 0.000 0.965 719 Y CA -0.967 56.999 58.100 -0.223 0.000 1.067 719 Y CB 1.607 39.720 38.460 -0.578 0.000 1.199 719 Y HN 0.730 nan 8.280 nan 0.000 0.450 720 K N 7.005 126.989 120.400 -0.693 0.000 2.367 720 K HA 0.273 4.593 4.320 0.001 0.000 0.263 720 K C -1.079 175.043 176.600 -0.796 0.000 1.000 720 K CA -0.360 55.611 56.287 -0.527 0.000 0.891 720 K CB 0.207 32.553 32.500 -0.257 0.000 1.117 720 K HN 0.628 nan 8.250 nan 0.000 0.443 721 F N 1.760 121.382 119.950 -0.547 0.000 2.480 721 F HA 0.142 4.669 4.527 0.001 0.000 0.319 721 F C 1.466 177.104 175.800 -0.269 0.000 1.230 721 F CA 0.507 58.241 58.000 -0.444 0.000 1.285 721 F CB 0.506 39.401 39.000 -0.175 0.000 1.208 721 F HN 0.122 nan 8.300 nan 0.000 0.579 722 K N 0.016 120.465 120.400 0.081 0.000 2.267 722 K HA 0.487 4.808 4.320 0.001 0.000 0.246 722 K C 0.569 177.200 176.600 0.051 0.000 0.954 722 K CA -0.008 56.297 56.287 0.031 0.000 0.824 722 K CB 1.770 34.283 32.500 0.022 0.000 1.167 722 K HN 0.752 nan 8.250 nan 0.000 0.431 723 G N 1.515 110.327 108.800 0.021 0.000 2.646 723 G HA2 -0.465 3.495 3.960 0.001 0.000 0.324 723 G HA3 -0.465 3.495 3.960 0.001 0.000 0.324 723 G C 1.006 175.910 174.900 0.007 0.000 1.195 723 G CA 0.982 46.090 45.100 0.014 0.000 0.976 723 G HN 0.702 nan 8.290 nan 0.000 0.546 724 A N -0.552 122.271 122.820 0.006 0.000 1.978 724 A HA 0.298 4.618 4.320 0.001 0.000 0.220 724 A C 2.095 179.672 177.584 -0.012 0.000 1.170 724 A CA 2.099 54.134 52.037 -0.004 0.000 0.636 724 A CB -0.239 18.755 19.000 -0.010 0.000 0.810 724 A HN 1.018 nan 8.150 nan 0.000 0.448 725 L N 0.370 121.574 121.223 -0.031 0.000 3.108 725 L HA 0.166 4.506 4.340 0.001 0.000 0.251 725 L C 0.410 177.267 176.870 -0.022 0.000 1.315 725 L CA 0.021 54.823 54.840 -0.064 0.000 1.048 725 L CB 0.551 42.446 42.059 -0.273 0.000 1.432 725 L HN 0.439 nan 8.230 nan 0.000 0.543 726 D N -1.417 118.972 120.400 -0.019 0.000 2.349 726 D HA -0.124 4.516 4.640 0.001 0.000 0.215 726 D C 1.324 177.558 176.300 -0.110 0.000 1.016 726 D CA 0.511 54.494 54.000 -0.029 0.000 0.870 726 D CB 0.208 40.989 40.800 -0.031 0.000 0.917 726 D HN 0.150 nan 8.370 nan 0.000 0.524 727 K N -0.605 119.659 120.400 -0.226 0.000 2.487 727 K HA 0.147 4.467 4.320 0.001 0.000 0.192 727 K C 0.002 176.234 176.600 -0.613 0.000 1.027 727 K CA -0.262 55.707 56.287 -0.530 0.000 1.054 727 K CB 0.287 32.307 32.500 -0.801 0.000 0.824 727 K HN 0.122 nan 8.250 nan 0.000 0.510 728 L N 1.037 122.157 121.223 -0.172 0.000 2.289 728 L HA 0.258 4.598 4.340 0.001 0.000 0.285 728 L C -0.860 176.133 176.870 0.205 0.000 1.049 728 L CA 0.258 55.168 54.840 0.115 0.000 0.804 728 L CB 1.527 43.702 42.059 0.194 0.000 1.195 728 L HN -0.124 nan 8.230 nan 0.000 0.428 729 T N 4.440 119.087 114.554 0.155 0.000 2.809 729 T HA 0.600 4.950 4.350 0.001 0.000 0.284 729 T C -0.639 174.144 174.700 0.139 0.000 0.992 729 T CA -0.455 61.706 62.100 0.100 0.000 0.957 729 T CB 1.469 70.344 68.868 0.012 0.000 0.942 729 T HN 0.346 nan 8.240 nan 0.000 0.439 730 V N 2.490 122.492 119.914 0.147 0.000 2.581 730 V HA 0.939 5.059 4.120 0.001 0.000 0.303 730 V C 0.517 176.675 176.094 0.106 0.000 1.041 730 V CA -0.240 62.156 62.300 0.160 0.000 0.907 730 V CB 1.863 33.852 31.823 0.278 0.000 0.994 730 V HN 1.118 nan 8.190 nan 0.000 0.442 731 G N 1.819 110.671 108.800 0.088 0.000 2.684 731 G HA2 0.840 4.800 3.960 0.001 0.000 0.290 731 G HA3 0.840 4.800 3.960 0.001 0.000 0.290 731 G C -0.673 174.360 174.900 0.222 0.000 1.425 731 G CA -0.074 45.120 45.100 0.157 0.000 0.822 731 G HN 1.160 nan 8.290 nan 0.000 0.482 732 G N -2.136 106.918 108.800 0.424 0.000 2.548 732 G HA2 0.906 4.867 3.960 0.001 0.000 0.301 732 G HA3 0.906 4.867 3.960 0.001 0.000 0.301 732 G C -0.668 174.560 174.900 0.545 0.000 1.349 732 G CA 0.304 45.687 45.100 0.472 0.000 0.792 732 G HN 1.849 nan 8.290 nan 0.000 0.481 733 G N -1.836 107.176 108.800 0.353 0.000 2.579 733 G HA2 0.840 4.800 3.960 0.001 0.000 0.292 733 G HA3 0.840 4.800 3.960 0.001 0.000 0.292 733 G C -1.227 173.589 174.900 -0.139 0.000 1.484 733 G CA 0.534 45.608 45.100 -0.044 0.000 0.813 733 G HN 1.880 nan 8.290 nan 0.000 0.515 734 A N 0.669 123.280 122.820 -0.347 0.000 2.475 734 A HA 0.913 5.234 4.320 0.001 0.000 0.301 734 A C -0.411 177.071 177.584 -0.171 0.000 1.059 734 A CA -0.730 51.263 52.037 -0.074 0.000 0.710 734 A CB 1.978 21.065 19.000 0.145 0.000 1.288 734 A HN 0.906 nan 8.150 nan 0.000 0.408 735 R N 1.294 121.779 120.500 -0.025 0.000 2.445 735 R HA 0.512 4.852 4.340 0.001 0.000 0.308 735 R C -1.747 174.477 176.300 -0.127 0.000 0.961 735 R CA -0.389 55.645 56.100 -0.110 0.000 0.862 735 R CB 1.256 31.459 30.300 -0.161 0.000 1.144 735 R HN 0.802 nan 8.270 nan 0.000 0.447 736 W N 5.135 126.115 121.300 -0.533 0.000 2.689 736 W HA 0.316 4.976 4.660 0.000 0.000 0.340 736 W C -1.266 174.795 176.519 -0.763 0.000 1.060 736 W CA -0.344 56.403 57.345 -0.997 0.000 1.218 736 W CB 1.343 29.723 29.460 -1.799 0.000 1.410 736 W HN 0.660 nan 8.180 nan 0.000 0.528 737 Q N 3.653 122.256 119.800 -1.995 0.000 2.553 737 Q HA 0.820 5.160 4.340 0.001 0.000 0.293 737 Q C -0.735 173.915 176.000 -2.249 0.000 1.038 737 Q CA -1.178 53.435 55.803 -1.984 0.000 0.777 737 Q CB 1.902 29.983 28.738 -1.094 0.000 1.487 737 Q HN 0.659 nan 8.270 nan 0.000 0.426 738 G N 0.482 108.452 108.800 -1.383 0.000 2.705 738 G HA2 0.435 4.395 3.960 0.001 0.000 0.299 738 G HA3 0.435 4.395 3.960 0.001 0.000 0.299 738 G C -1.058 173.696 174.900 -0.244 0.000 1.315 738 G CA -1.174 43.558 45.100 -0.613 0.000 1.045 738 G HN 0.513 nan 8.290 nan 0.000 0.517 739 K N 0.186 120.589 120.400 0.005 0.000 2.472 739 K HA 0.117 4.437 4.320 0.001 0.000 0.269 739 K C 0.468 177.158 176.600 0.151 0.000 1.056 739 K CA 0.759 57.139 56.287 0.156 0.000 1.158 739 K CB 0.058 32.712 32.500 0.257 0.000 0.821 739 K HN 0.600 nan 8.250 nan 0.000 0.486 740 S N 2.579 118.351 115.700 0.120 0.000 2.599 740 S HA 0.814 5.284 4.470 0.001 0.000 0.294 740 S C -1.451 173.418 174.600 0.448 0.000 1.094 740 S CA -1.115 57.104 58.200 0.032 0.000 0.931 740 S CB 1.221 64.168 63.200 -0.420 0.000 1.093 740 S HN 0.707 nan 8.310 nan 0.000 0.488 741 W N 0.015 121.542 121.300 0.377 0.000 3.363 741 W HA 0.738 5.399 4.660 0.001 0.000 0.306 741 W C -1.708 175.024 176.519 0.355 0.000 1.253 741 W CA -0.678 56.913 57.345 0.411 0.000 1.195 741 W CB 0.910 30.498 29.460 0.213 0.000 1.366 741 W HN 0.616 nan 8.180 nan 0.000 0.551 742 Q N 2.313 122.351 119.800 0.396 0.000 2.345 742 Q HA 0.548 4.888 4.340 0.001 0.000 0.268 742 Q C -1.232 174.959 176.000 0.319 0.000 1.054 742 Q CA -1.222 54.674 55.803 0.156 0.000 0.835 742 Q CB 2.316 30.941 28.738 -0.188 0.000 1.339 742 Q HN 0.741 nan 8.270 nan 0.000 0.447 743 M N 2.866 122.625 119.600 0.265 0.000 2.080 743 M HA 0.319 4.799 4.480 0.001 0.000 0.350 743 M C -1.098 175.462 176.300 0.435 0.000 1.143 743 M CA -0.746 54.753 55.300 0.331 0.000 1.064 743 M CB 0.575 33.290 32.600 0.191 0.000 1.429 743 M HN 0.322 nan 8.290 nan 0.000 0.418 744 V N 3.011 123.230 119.914 0.508 0.000 2.581 744 V HA 0.577 4.697 4.120 0.001 0.000 0.303 744 V C -1.452 174.919 176.094 0.461 0.000 1.041 744 V CA -0.798 61.759 62.300 0.429 0.000 0.907 744 V CB 1.625 33.526 31.823 0.129 0.000 0.994 744 V HN 0.679 nan 8.190 nan 0.000 0.442 745 Y N 4.683 124.950 120.300 -0.054 0.000 2.454 745 Y HA 0.434 4.985 4.550 0.001 0.000 0.345 745 Y C 0.625 176.404 175.900 -0.202 0.000 0.970 745 Y CA -0.851 56.922 58.100 -0.544 0.000 1.204 745 Y CB 0.628 38.420 38.460 -1.113 0.000 1.122 745 Y HN 0.917 nan 8.280 nan 0.000 0.514 746 N N 5.761 124.108 118.700 -0.588 0.000 2.406 746 N HA -0.113 4.627 4.740 0.001 0.000 0.274 746 N C 0.832 175.695 175.510 -1.078 0.000 1.249 746 N CA 0.511 53.035 53.050 -0.878 0.000 0.951 746 N CB 0.113 37.972 38.487 -1.046 0.000 1.241 746 N HN 0.862 nan 8.380 nan 0.000 0.485 747 N N 4.535 122.793 118.700 -0.737 0.000 2.080 747 N HA -0.032 4.708 4.740 0.001 0.000 0.189 747 N C -1.228 174.015 175.510 -0.444 0.000 1.036 747 N CA 1.005 53.728 53.050 -0.546 0.000 0.846 747 N CB -0.469 37.876 38.487 -0.236 0.000 1.015 747 N HN 0.449 nan 8.380 nan 0.000 0.423 748 P HA 0.015 nan 4.420 nan 0.000 0.226 748 P C 0.655 177.755 177.300 -0.332 0.000 1.153 748 P CA 1.027 63.931 63.100 -0.327 0.000 0.777 748 P CB 0.040 31.553 31.700 -0.311 0.000 0.794 749 R N -1.445 118.792 120.500 -0.437 0.000 2.432 749 R HA 0.248 4.589 4.340 0.001 0.000 0.260 749 R C 0.188 176.273 176.300 -0.359 0.000 0.935 749 R CA -0.083 55.799 56.100 -0.362 0.000 1.080 749 R CB -0.115 29.957 30.300 -0.380 0.000 1.155 749 R HN -0.071 nan 8.270 nan 0.000 0.531 750 S N 1.865 117.294 115.700 -0.451 0.000 3.405 750 S HA -0.196 4.274 4.470 0.001 0.000 0.373 750 S C -0.394 174.021 174.600 -0.309 0.000 0.939 750 S CA 1.165 59.143 58.200 -0.371 0.000 1.295 750 S CB -0.892 62.229 63.200 -0.132 0.000 0.919 750 S HN 0.611 nan 8.310 nan 0.000 0.535 751 R N -0.904 119.238 120.500 -0.597 0.000 2.634 751 R HA 0.427 4.767 4.340 0.001 0.000 0.263 751 R C -1.311 174.853 176.300 -0.226 0.000 1.060 751 R CA -1.129 54.831 56.100 -0.233 0.000 0.898 751 R CB 0.339 30.549 30.300 -0.151 0.000 1.253 751 R HN 0.173 nan 8.270 nan 0.000 0.461 752 W N 1.633 123.036 121.300 0.173 0.000 2.202 752 W HA 0.369 5.029 4.660 0.000 0.000 0.332 752 W C 0.150 176.734 176.519 0.107 0.000 1.263 752 W CA 0.077 57.540 57.345 0.197 0.000 1.223 752 W CB 0.875 30.454 29.460 0.198 0.000 1.128 752 W HN 0.479 nan 8.180 nan 0.000 0.573 753 E N 1.201 121.647 120.200 0.411 0.000 2.293 753 E HA 0.229 4.579 4.350 0.001 0.000 0.270 753 E C -1.084 175.696 176.600 0.301 0.000 0.879 753 E CA -1.318 55.241 56.400 0.265 0.000 0.756 753 E CB 2.028 31.872 29.700 0.240 0.000 1.208 753 E HN 0.201 nan 8.360 nan 0.000 0.428 754 K N 2.487 122.968 120.400 0.136 0.000 2.234 754 K HA 0.290 4.611 4.320 0.001 0.000 0.282 754 K C -1.340 175.298 176.600 0.064 0.000 1.039 754 K CA -0.195 56.185 56.287 0.154 0.000 0.928 754 K CB 0.452 32.974 32.500 0.037 0.000 1.039 754 K HN 0.293 nan 8.250 nan 0.000 0.470 755 F N 2.230 122.274 119.950 0.158 0.000 2.411 755 F HA 0.297 4.825 4.527 0.001 0.000 0.352 755 F C 0.129 176.068 175.800 0.233 0.000 1.123 755 F CA -0.212 57.858 58.000 0.116 0.000 1.044 755 F CB 2.035 41.028 39.000 -0.012 0.000 1.135 755 F HN 0.410 nan 8.300 nan 0.000 0.461 756 S N 2.156 118.054 115.700 0.329 0.000 2.593 756 S HA 0.528 4.998 4.470 0.001 0.000 0.297 756 S C -0.984 173.864 174.600 0.414 0.000 1.112 756 S CA -0.642 57.787 58.200 0.382 0.000 1.043 756 S CB 1.707 65.033 63.200 0.210 0.000 1.054 756 S HN 0.519 nan 8.310 nan 0.000 0.516 757 Q N 2.226 122.284 119.800 0.431 0.000 2.320 757 Q HA 0.313 4.653 4.340 0.001 0.000 0.268 757 Q C -1.025 175.115 176.000 0.234 0.000 1.023 757 Q CA -0.381 55.632 55.803 0.351 0.000 0.744 757 Q CB 0.644 29.594 28.738 0.353 0.000 1.246 757 Q HN 0.625 nan 8.270 nan 0.000 0.462 758 E N 2.230 122.556 120.200 0.209 0.000 2.422 758 E HA 0.040 4.390 4.350 0.001 0.000 0.260 758 E C -0.148 176.573 176.600 0.201 0.000 1.108 758 E CA 0.029 56.540 56.400 0.184 0.000 0.943 758 E CB 0.463 30.268 29.700 0.176 0.000 0.961 758 E HN 0.729 nan 8.360 nan 0.000 0.443 759 D N 1.138 121.637 120.400 0.166 0.000 2.419 759 D HA -0.044 4.596 4.640 0.001 0.000 0.236 759 D C -0.512 175.919 176.300 0.218 0.000 1.165 759 D CA 0.251 54.284 54.000 0.056 0.000 0.882 759 D CB 0.367 41.272 40.800 0.176 0.000 1.201 759 D HN 0.452 nan 8.370 nan 0.000 0.443 760 Y N -3.120 117.009 120.300 -0.286 0.000 2.565 760 Y HA 0.504 5.054 4.550 0.000 0.000 0.330 760 Y C -2.022 173.758 175.900 -0.201 0.000 1.150 760 Y CA -1.848 56.188 58.100 -0.107 0.000 1.055 760 Y CB 0.131 38.533 38.460 -0.097 0.000 1.337 760 Y HN 0.324 nan 8.280 nan 0.000 0.457 761 W N 3.149 124.523 121.300 0.124 0.000 2.381 761 W HA 0.749 5.409 4.660 0.000 0.000 0.329 761 W C -0.933 175.602 176.519 0.026 0.000 1.157 761 W CA -0.823 56.544 57.345 0.037 0.000 1.240 761 W CB 1.462 30.988 29.460 0.111 0.000 1.199 761 W HN 0.494 nan 8.180 nan 0.000 0.579 762 L N 3.627 124.966 121.223 0.193 0.000 2.316 762 L HA 0.432 4.772 4.340 0.001 0.000 0.280 762 L C -0.456 176.564 176.870 0.252 0.000 1.006 762 L CA -0.944 54.015 54.840 0.199 0.000 0.836 762 L CB 0.698 42.800 42.059 0.072 0.000 1.221 762 L HN 0.084 nan 8.230 nan 0.000 0.418 763 V N 2.253 122.353 119.914 0.309 0.000 2.567 763 V HA 0.392 4.512 4.120 0.001 0.000 0.289 763 V C -0.508 175.709 176.094 0.205 0.000 1.049 763 V CA -0.403 62.051 62.300 0.257 0.000 0.969 763 V CB 1.878 33.906 31.823 0.342 0.000 0.995 763 V HN 0.819 nan 8.190 nan 0.000 0.471 764 D N 3.417 123.957 120.400 0.234 0.000 2.732 764 D HA 0.671 5.311 4.640 0.001 0.000 0.229 764 D C -0.954 175.525 176.300 0.298 0.000 1.152 764 D CA -0.578 53.575 54.000 0.255 0.000 0.854 764 D CB 1.671 42.658 40.800 0.313 0.000 1.590 764 D HN 0.310 nan 8.370 nan 0.000 0.468 765 L N 0.530 121.867 121.223 0.190 0.000 2.301 765 L HA 0.731 5.071 4.340 0.001 0.000 0.264 765 L C -0.384 176.528 176.870 0.069 0.000 1.016 765 L CA -1.043 53.882 54.840 0.142 0.000 0.821 765 L CB 2.022 44.111 42.059 0.051 0.000 1.346 765 L HN 0.428 nan 8.230 nan 0.000 0.429 766 M N 1.627 121.235 119.600 0.014 0.000 2.465 766 M HA 0.777 5.258 4.480 0.001 0.000 0.284 766 M C -2.259 174.006 176.300 -0.059 0.000 1.212 766 M CA -0.358 54.879 55.300 -0.105 0.000 0.910 766 M CB 2.414 34.823 32.600 -0.319 0.000 1.725 766 M HN 0.706 nan 8.290 nan 0.000 0.477 767 A N 3.696 126.476 122.820 -0.068 0.000 2.540 767 A HA 0.783 5.103 4.320 0.001 0.000 0.297 767 A C -1.700 175.888 177.584 0.007 0.000 1.056 767 A CA -0.730 51.309 52.037 0.004 0.000 0.700 767 A CB 1.836 20.861 19.000 0.041 0.000 1.280 767 A HN 0.917 nan 8.150 nan 0.000 0.398 768 R N 0.886 121.414 120.500 0.046 0.000 2.750 768 R HA 0.730 5.071 4.340 0.001 0.000 0.281 768 R C -2.054 174.331 176.300 0.142 0.000 0.972 768 R CA -0.523 55.612 56.100 0.059 0.000 0.912 768 R CB 1.606 31.910 30.300 0.008 0.000 1.187 768 R HN 0.832 nan 8.270 nan 0.000 0.464 769 Y N 1.543 121.849 120.300 0.011 0.000 2.457 769 Y HA 0.231 4.781 4.550 0.000 0.000 0.343 769 Y C -0.954 174.951 175.900 0.009 0.000 0.994 769 Y CA -0.688 57.418 58.100 0.010 0.000 1.031 769 Y CB 2.169 40.633 38.460 0.005 0.000 1.246 769 Y HN 0.531 nan 8.280 nan 0.000 0.449 770 Q N 5.982 125.540 119.800 -0.404 0.000 2.963 770 Q HA 0.329 4.670 4.340 0.001 0.000 0.262 770 Q C 0.040 175.953 176.000 -0.145 0.000 1.318 770 Q CA 0.178 55.853 55.803 -0.212 0.000 1.089 770 Q CB -0.420 28.173 28.738 -0.242 0.000 1.424 770 Q HN 0.870 nan 8.270 nan 0.000 0.560 771 I N -1.029 119.596 120.570 0.091 0.000 2.099 771 I HA -0.193 3.977 4.170 0.001 0.000 0.239 771 I C 1.075 177.237 176.117 0.075 0.000 1.066 771 I CA 0.882 62.294 61.300 0.186 0.000 1.324 771 I CB -0.392 37.708 38.000 0.165 0.000 1.037 771 I HN 0.301 nan 8.210 nan 0.000 0.401 772 T N -0.563 114.009 114.554 0.030 0.000 2.870 772 T HA 0.182 4.532 4.350 0.001 0.000 0.277 772 T C 0.244 174.944 174.700 0.001 0.000 1.000 772 T CA -0.448 61.654 62.100 0.004 0.000 0.982 772 T CB 1.636 70.492 68.868 -0.021 0.000 1.249 772 T HN 0.070 nan 8.240 nan 0.000 0.589 773 D N 0.219 120.622 120.400 0.004 0.000 2.183 773 D HA 0.001 4.642 4.640 0.001 0.000 0.203 773 D C 1.569 177.897 176.300 0.048 0.000 0.969 773 D CA 0.841 54.851 54.000 0.017 0.000 0.842 773 D CB 0.209 41.021 40.800 0.020 0.000 0.957 773 D HN 0.097 nan 8.370 nan 0.000 0.484 774 K N -0.495 119.941 120.400 0.059 0.000 2.348 774 K HA 0.247 4.567 4.320 0.001 0.000 0.194 774 K C -0.100 176.585 176.600 0.142 0.000 1.052 774 K CA -0.161 56.209 56.287 0.139 0.000 1.004 774 K CB 0.605 33.186 32.500 0.135 0.000 0.873 774 K HN 0.089 nan 8.250 nan 0.000 0.523 775 L N 1.355 122.610 121.223 0.055 0.000 2.349 775 L HA 0.379 4.719 4.340 0.001 0.000 0.278 775 L C -0.595 176.307 176.870 0.054 0.000 0.996 775 L CA -0.506 54.368 54.840 0.058 0.000 0.825 775 L CB 1.613 43.665 42.059 -0.012 0.000 1.243 775 L HN 0.112 nan 8.230 nan 0.000 0.412 776 S N 3.872 119.611 115.700 0.066 0.000 2.600 776 S HA 0.992 5.463 4.470 0.001 0.000 0.300 776 S C -0.724 173.923 174.600 0.078 0.000 1.087 776 S CA -0.252 57.983 58.200 0.060 0.000 0.965 776 S CB 1.964 65.179 63.200 0.025 0.000 1.089 776 S HN 1.034 nan 8.310 nan 0.000 0.496 777 A N 1.788 124.668 122.820 0.100 0.000 2.343 777 A HA 0.788 5.108 4.320 0.001 0.000 0.308 777 A C -0.230 177.409 177.584 0.091 0.000 1.092 777 A CA -0.677 51.422 52.037 0.104 0.000 0.751 777 A CB 1.408 20.480 19.000 0.119 0.000 1.203 777 A HN 0.791 nan 8.150 nan 0.000 0.452 778 S N 0.023 115.759 115.700 0.059 0.000 2.621 778 S HA 0.739 5.209 4.470 0.001 0.000 0.302 778 S C -0.806 173.769 174.600 -0.043 0.000 1.093 778 S CA -0.604 57.599 58.200 0.006 0.000 1.017 778 S CB 1.834 65.012 63.200 -0.037 0.000 1.077 778 S HN 1.247 nan 8.310 nan 0.000 0.517 779 V N 2.244 122.080 119.914 -0.130 0.000 2.638 779 V HA 0.557 4.677 4.120 0.001 0.000 0.306 779 V C -1.753 174.171 176.094 -0.284 0.000 1.052 779 V CA -0.719 61.374 62.300 -0.345 0.000 0.885 779 V CB 1.828 33.431 31.823 -0.367 0.000 0.999 779 V HN 0.931 nan 8.190 nan 0.000 0.424 780 N N 4.421 122.920 118.700 -0.336 0.000 2.417 780 N HA 0.626 5.366 4.740 0.001 0.000 0.274 780 N C -1.027 174.367 175.510 -0.193 0.000 0.987 780 N CA -0.385 52.547 53.050 -0.197 0.000 0.912 780 N CB 2.139 40.562 38.487 -0.107 0.000 1.177 780 N HN 0.488 nan 8.380 nan 0.000 0.490 781 V N 2.298 122.146 119.914 -0.109 0.000 2.427 781 V HA 0.462 4.582 4.120 0.001 0.000 0.286 781 V C -0.304 175.807 176.094 0.028 0.000 1.034 781 V CA -0.747 61.514 62.300 -0.065 0.000 0.893 781 V CB 1.084 32.863 31.823 -0.073 0.000 0.982 781 V HN 0.632 nan 8.190 nan 0.000 0.452 782 N N 3.744 122.475 118.700 0.052 0.000 2.284 782 N HA 0.322 5.062 4.740 0.001 0.000 0.300 782 N C -0.053 175.534 175.510 0.129 0.000 1.047 782 N CA -0.529 52.601 53.050 0.133 0.000 0.821 782 N CB 1.378 39.966 38.487 0.169 0.000 1.337 782 N HN 0.756 nan 8.380 nan 0.000 0.482 783 N N 1.023 119.820 118.700 0.161 0.000 2.708 783 N HA -0.158 4.582 4.740 0.001 0.000 0.255 783 N C 0.367 175.929 175.510 0.087 0.000 1.046 783 N CA 0.280 53.432 53.050 0.169 0.000 0.715 783 N CB -1.100 37.521 38.487 0.224 0.000 0.895 783 N HN 0.359 nan 8.380 nan 0.000 0.545 784 V N 0.065 119.967 119.914 -0.020 0.000 2.324 784 V HA -0.253 3.868 4.120 0.001 0.000 0.250 784 V C 1.776 177.665 176.094 -0.341 0.000 1.060 784 V CA 2.306 64.457 62.300 -0.249 0.000 1.042 784 V CB -0.639 30.908 31.823 -0.461 0.000 0.650 784 V HN 0.475 nan 8.190 nan 0.000 0.450 785 F N -0.059 119.946 119.950 0.091 0.000 2.769 785 F HA 0.218 4.746 4.527 0.001 0.000 0.304 785 F C 1.191 177.048 175.800 0.095 0.000 1.158 785 F CA 0.283 58.334 58.000 0.085 0.000 1.398 785 F CB -0.880 38.170 39.000 0.084 0.000 1.094 785 F HN 0.169 nan 8.300 nan 0.000 0.553 786 D N 1.214 121.726 120.400 0.187 0.000 2.751 786 D HA -0.267 4.373 4.640 0.001 0.000 0.233 786 D C 0.295 176.703 176.300 0.181 0.000 1.149 786 D CA 0.462 54.558 54.000 0.160 0.000 0.682 786 D CB -0.803 40.069 40.800 0.119 0.000 1.068 786 D HN 0.157 nan 8.370 nan 0.000 0.429 787 K N 0.682 121.226 120.400 0.241 0.000 2.436 787 K HA 0.195 4.515 4.320 0.001 0.000 0.282 787 K C -0.080 176.666 176.600 0.244 0.000 1.044 787 K CA 0.180 56.612 56.287 0.241 0.000 1.028 787 K CB 0.464 33.125 32.500 0.269 0.000 0.919 787 K HN 0.192 nan 8.250 nan 0.000 0.474 788 T N 3.840 118.475 114.554 0.135 0.000 2.806 788 T HA 0.514 4.864 4.350 0.001 0.000 0.290 788 T C -0.468 174.268 174.700 0.060 0.000 0.966 788 T CA -0.310 61.813 62.100 0.038 0.000 1.060 788 T CB 0.131 68.943 68.868 -0.094 0.000 0.927 788 T HN 0.561 nan 8.240 nan 0.000 0.485 789 Y N 1.261 121.420 120.300 -0.235 0.000 2.896 789 Y HA 0.755 5.305 4.550 0.000 0.000 0.317 789 Y C -2.149 173.518 175.900 -0.388 0.000 1.444 789 Y CA -2.163 55.703 58.100 -0.391 0.000 1.084 789 Y CB 0.867 38.956 38.460 -0.618 0.000 1.382 789 Y HN 0.571 nan 8.280 nan 0.000 0.471 790 Y N -0.252 120.089 120.300 0.069 0.000 2.425 790 Y HA 0.482 5.033 4.550 0.001 0.000 0.344 790 Y C 0.719 176.749 175.900 0.216 0.000 0.969 790 Y CA -0.428 57.714 58.100 0.069 0.000 1.052 790 Y CB 2.719 41.289 38.460 0.182 0.000 1.215 790 Y HN 0.749 nan 8.280 nan 0.000 0.451 791 T N -2.433 112.292 114.554 0.285 0.000 3.001 791 T HA 0.174 4.524 4.350 0.001 0.000 0.251 791 T C 0.053 175.018 174.700 0.441 0.000 1.040 791 T CA 0.011 62.310 62.100 0.333 0.000 0.985 791 T CB -0.100 68.850 68.868 0.137 0.000 1.011 791 T HN 0.491 nan 8.240 nan 0.000 0.509 792 N N 0.374 119.226 118.700 0.252 0.000 2.425 792 N HA 0.506 5.247 4.740 0.001 0.000 0.289 792 N C -1.908 173.353 175.510 -0.416 0.000 1.074 792 N CA -0.819 52.169 53.050 -0.104 0.000 0.905 792 N CB 1.410 39.791 38.487 -0.175 0.000 1.586 792 N HN 0.227 nan 8.380 nan 0.000 0.490 793 I N 2.502 122.519 120.570 -0.922 0.000 2.534 793 I HA 0.609 4.780 4.170 0.001 0.000 0.288 793 I C 0.847 176.489 176.117 -0.793 0.000 1.077 793 I CA -0.627 60.136 61.300 -0.895 0.000 1.051 793 I CB 2.020 39.453 38.000 -0.945 0.000 1.234 793 I HN 0.911 nan 8.210 nan 0.000 0.425 794 G N 4.862 113.323 108.800 -0.566 0.000 2.278 794 G HA2 -0.262 3.698 3.960 0.001 0.000 0.210 794 G HA3 -0.262 3.698 3.960 0.001 0.000 0.210 794 G C 0.053 174.815 174.900 -0.230 0.000 1.000 794 G CA -0.573 44.298 45.100 -0.381 0.000 0.635 794 G HN 0.492 nan 8.290 nan 0.000 0.495 795 F N 2.950 122.709 119.950 -0.319 0.000 2.506 795 F HA 0.495 5.023 4.527 0.001 0.000 0.369 795 F C 1.089 176.845 175.800 -0.072 0.000 1.114 795 F CA -0.100 57.792 58.000 -0.180 0.000 1.121 795 F CB -0.537 38.420 39.000 -0.072 0.000 1.104 795 F HN 0.337 nan 8.300 nan 0.000 0.564 796 Y N 3.548 123.463 120.300 -0.641 0.000 3.225 796 Y HA -0.323 4.227 4.550 0.001 0.000 0.211 796 Y C 1.039 176.746 175.900 -0.322 0.000 1.223 796 Y CA 0.900 58.693 58.100 -0.512 0.000 1.284 796 Y CB -2.475 35.597 38.460 -0.647 0.000 1.367 796 Y HN 0.774 nan 8.280 nan 0.000 0.566 797 T N -0.931 113.513 114.554 -0.184 0.000 3.967 797 T HA -0.080 4.270 4.350 0.001 0.000 0.366 797 T C 0.154 174.675 174.700 -0.297 0.000 0.759 797 T CA 0.821 62.781 62.100 -0.233 0.000 1.971 797 T CB -1.531 67.259 68.868 -0.130 0.000 1.806 797 T HN 1.047 nan 8.240 nan 0.000 0.825 798 S N -1.300 114.211 115.700 -0.316 0.000 2.806 798 S HA 0.957 5.427 4.470 0.001 0.000 0.306 798 S C -0.794 173.484 174.600 -0.537 0.000 1.167 798 S CA -0.568 57.415 58.200 -0.362 0.000 0.847 798 S CB 2.471 65.559 63.200 -0.187 0.000 1.216 798 S HN 1.459 nan 8.310 nan 0.000 0.532 799 A N 0.332 122.703 122.820 -0.749 0.000 2.455 799 A HA 0.817 5.138 4.320 0.001 0.000 0.300 799 A C -0.735 176.316 177.584 -0.888 0.000 1.040 799 A CA -0.618 50.894 52.037 -0.876 0.000 0.697 799 A CB 1.716 20.107 19.000 -1.015 0.000 1.265 799 A HN 0.742 nan 8.150 nan 0.000 0.407 800 S N 0.757 116.185 115.700 -0.454 0.000 2.473 800 S HA 0.637 5.108 4.470 0.001 0.000 0.307 800 S C -1.101 173.445 174.600 -0.089 0.000 1.094 800 S CA -0.184 57.873 58.200 -0.240 0.000 1.070 800 S CB 0.470 63.602 63.200 -0.114 0.000 1.019 800 S HN 0.477 nan 8.310 nan 0.000 0.480 801 Y N 1.333 121.694 120.300 0.101 0.000 2.301 801 Y HA 0.496 5.046 4.550 0.001 0.000 0.328 801 Y C 1.255 177.038 175.900 -0.194 0.000 1.242 801 Y CA -0.018 58.057 58.100 -0.042 0.000 1.323 801 Y CB 0.487 38.968 38.460 0.035 0.000 1.266 801 Y HN 0.750 nan 8.280 nan 0.000 0.527 802 G N 0.655 109.212 108.800 -0.405 0.000 2.562 802 G HA2 0.210 4.170 3.960 0.001 0.000 0.275 802 G HA3 0.210 4.170 3.960 0.001 0.000 0.275 802 G C -1.091 173.514 174.900 -0.492 0.000 1.196 802 G CA -0.827 43.843 45.100 -0.716 0.000 0.908 802 G HN 0.543 nan 8.290 nan 0.000 0.524 803 D N 1.256 121.511 120.400 -0.242 0.000 2.425 803 D HA 0.298 4.939 4.640 0.001 0.000 0.247 803 D C -1.840 174.306 176.300 -0.257 0.000 1.147 803 D CA -0.396 53.402 54.000 -0.336 0.000 0.879 803 D CB 0.946 41.785 40.800 0.065 0.000 1.179 803 D HN 0.025 nan 8.370 nan 0.000 0.456 804 P HA 0.014 nan 4.420 nan 0.000 0.271 804 P C 0.054 177.476 177.300 0.203 0.000 1.233 804 P CA -0.472 62.591 63.100 -0.061 0.000 0.789 804 P CB 0.496 32.185 31.700 -0.018 0.000 0.951 805 R N 2.142 122.740 120.500 0.164 0.000 2.478 805 R HA -0.095 4.245 4.340 0.001 0.000 0.281 805 R C -0.313 176.048 176.300 0.103 0.000 0.939 805 R CA 0.987 57.163 56.100 0.127 0.000 1.120 805 R CB -0.778 29.564 30.300 0.069 0.000 0.885 805 R HN 0.717 nan 8.270 nan 0.000 0.415 806 N N 2.357 121.084 118.700 0.045 0.000 2.494 806 N HA 0.447 5.188 4.740 0.001 0.000 0.270 806 N C -1.878 173.572 175.510 -0.102 0.000 1.285 806 N CA -0.951 52.028 53.050 -0.117 0.000 0.812 806 N CB 1.206 39.682 38.487 -0.018 0.000 1.557 806 N HN 0.247 nan 8.380 nan 0.000 0.487 807 L N 0.175 121.296 121.223 -0.169 0.000 2.342 807 L HA 0.706 5.047 4.340 0.001 0.000 0.271 807 L C -0.854 175.926 176.870 -0.151 0.000 1.008 807 L CA -0.689 54.054 54.840 -0.162 0.000 0.818 807 L CB 1.900 43.889 42.059 -0.117 0.000 1.296 807 L HN 0.781 nan 8.230 nan 0.000 0.427 808 M N 2.757 122.215 119.600 -0.237 0.000 2.142 808 M HA 0.555 5.035 4.480 0.001 0.000 0.299 808 M C -1.769 174.330 176.300 -0.335 0.000 0.960 808 M CA -0.332 54.869 55.300 -0.164 0.000 0.920 808 M CB 1.044 33.597 32.600 -0.079 0.000 1.541 808 M HN 0.210 nan 8.290 nan 0.000 0.429 809 F N 2.095 122.024 119.950 -0.034 0.000 2.404 809 F HA 0.710 5.237 4.527 0.000 0.000 0.339 809 F C 0.494 176.297 175.800 0.004 0.000 1.105 809 F CA -0.187 57.803 58.000 -0.016 0.000 1.087 809 F CB 1.816 40.804 39.000 -0.019 0.000 1.143 809 F HN 0.559 nan 8.300 nan 0.000 0.491 810 S N 1.254 117.044 115.700 0.150 0.000 2.575 810 S HA 0.626 5.097 4.470 0.001 0.000 0.278 810 S C -0.988 173.671 174.600 0.099 0.000 1.139 810 S CA -0.516 57.740 58.200 0.093 0.000 0.954 810 S CB 1.228 64.444 63.200 0.027 0.000 1.054 810 S HN 0.579 nan 8.310 nan 0.000 0.483 811 T N 4.194 118.809 114.554 0.102 0.000 2.809 811 T HA 0.468 4.819 4.350 0.001 0.000 0.284 811 T C -0.564 174.197 174.700 0.101 0.000 0.992 811 T CA -0.576 61.585 62.100 0.103 0.000 0.957 811 T CB 1.030 69.969 68.868 0.118 0.000 0.942 811 T HN 0.511 nan 8.240 nan 0.000 0.439 812 R N 2.446 122.998 120.500 0.086 0.000 2.393 812 R HA 0.432 4.772 4.340 0.001 0.000 0.315 812 R C -1.616 174.775 176.300 0.152 0.000 0.952 812 R CA -0.803 55.341 56.100 0.073 0.000 0.842 812 R CB 1.064 31.352 30.300 -0.020 0.000 1.163 812 R HN 0.638 nan 8.270 nan 0.000 0.450 813 W N 5.917 127.181 121.300 -0.060 0.000 2.329 813 W HA 0.351 5.012 4.660 0.001 0.000 0.312 813 W C -1.502 174.897 176.519 -0.200 0.000 1.054 813 W CA -1.401 55.886 57.345 -0.097 0.000 1.245 813 W CB 0.927 30.341 29.460 -0.078 0.000 1.255 813 W HN 0.552 nan 8.180 nan 0.000 0.436 814 D N 7.247 127.730 120.400 0.139 0.000 2.359 814 D HA 0.244 4.884 4.640 0.001 0.000 0.230 814 D C -0.007 176.356 176.300 0.104 0.000 1.118 814 D CA -0.033 53.943 54.000 -0.040 0.000 0.844 814 D CB 0.321 41.167 40.800 0.075 0.000 1.059 814 D HN 0.070 nan 8.370 nan 0.000 0.493 815 F N 0.000 119.997 119.950 0.078 0.000 2.286 815 F HA 0.000 4.527 4.527 0.000 0.000 0.279 815 F CA 0.000 58.142 58.000 0.237 0.000 1.383 815 F CB 0.000 39.110 39.000 0.183 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574