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 2w75_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 0.000 176.025 176.000 0.042 0.000 1.003 44 Q CA 0.000 55.818 55.803 0.024 0.000 1.022 44 Q CB 0.000 28.747 28.738 0.014 0.000 1.108 45 E N 0.846 121.070 120.200 0.040 0.000 2.266 45 E HA 0.496 4.847 4.350 0.002 0.000 0.277 45 E C -1.200 175.422 176.600 0.037 0.000 1.018 45 E CA -0.338 56.100 56.400 0.064 0.000 0.840 45 E CB 1.800 31.536 29.700 0.059 0.000 1.082 45 E HN 0.132 nan 8.360 nan 0.000 0.395 46 V N 2.384 122.334 119.914 0.061 0.000 2.680 46 V HA 0.145 4.266 4.120 0.002 0.000 0.309 46 V C -0.311 175.713 176.094 -0.116 0.000 1.052 46 V CA -0.847 61.386 62.300 -0.111 0.000 0.908 46 V CB 1.986 33.615 31.823 -0.324 0.000 1.001 46 V HN 0.617 nan 8.190 nan 0.000 0.431 47 E N 2.393 122.472 120.200 -0.202 0.000 2.257 47 E HA 0.425 4.776 4.350 0.002 0.000 0.278 47 E C -1.440 175.000 176.600 -0.267 0.000 1.049 47 E CA 0.353 56.677 56.400 -0.126 0.000 0.876 47 E CB 0.323 29.967 29.700 -0.093 0.000 1.035 47 E HN 0.370 nan 8.360 nan 0.000 0.419 48 F N 2.380 122.325 119.950 -0.009 0.000 2.522 48 F HA 0.396 4.924 4.527 0.001 0.000 0.324 48 F C -0.095 175.714 175.800 0.014 0.000 1.077 48 F CA -0.789 57.208 58.000 -0.005 0.000 0.944 48 F CB 1.928 40.939 39.000 0.019 0.000 1.175 48 F HN 0.260 nan 8.300 nan 0.000 0.468 49 D N 3.216 123.758 120.400 0.237 0.000 2.411 49 D HA 0.337 4.978 4.640 0.002 0.000 0.239 49 D C -1.180 175.208 176.300 0.147 0.000 1.307 49 D CA 0.049 54.142 54.000 0.156 0.000 0.930 49 D CB 0.525 41.378 40.800 0.087 0.000 1.395 49 D HN 0.388 nan 8.370 nan 0.000 0.536 50 I N 4.223 124.888 120.570 0.158 0.000 2.555 50 I HA 0.290 4.461 4.170 0.002 0.000 0.275 50 I C -2.172 173.993 176.117 0.080 0.000 1.082 50 I CA -1.735 59.643 61.300 0.130 0.000 1.167 50 I CB 1.551 39.660 38.000 0.182 0.000 1.312 50 I HN 0.004 nan 8.210 nan 0.000 0.493 51 P HA 0.234 nan 4.420 nan 0.000 0.272 51 P C -2.575 174.742 177.300 0.029 0.000 1.230 51 P CA -1.711 61.413 63.100 0.040 0.000 0.788 51 P CB -0.392 31.329 31.700 0.035 0.000 0.949 52 P HA 0.023 nan 4.420 nan 0.000 0.261 52 P C -0.301 177.002 177.300 0.005 0.000 1.183 52 P CA 0.769 63.873 63.100 0.007 0.000 0.761 52 P CB 0.018 31.720 31.700 0.002 0.000 0.785 53 Q N 1.895 121.695 119.800 -0.001 0.000 2.737 53 Q HA 0.699 5.040 4.340 0.002 0.000 0.307 53 Q C -1.171 174.819 176.000 -0.017 0.000 0.905 53 Q CA -1.468 54.334 55.803 -0.003 0.000 0.753 53 Q CB 0.790 29.531 28.738 0.006 0.000 1.463 53 Q HN 0.272 nan 8.270 nan 0.000 0.455 54 A N 1.125 123.935 122.820 -0.018 0.000 2.566 54 A HA 0.058 4.380 4.320 0.002 0.000 0.245 54 A C 0.840 178.390 177.584 -0.056 0.000 1.056 54 A CA -0.184 51.834 52.037 -0.032 0.000 0.757 54 A CB -0.112 18.874 19.000 -0.023 0.000 0.979 54 A HN 0.707 nan 8.150 nan 0.000 0.508 55 L N 4.281 125.455 121.223 -0.082 0.000 2.089 55 L HA -0.145 4.196 4.340 0.002 0.000 0.213 55 L C 2.292 179.043 176.870 -0.197 0.000 1.079 55 L CA 2.793 57.554 54.840 -0.131 0.000 0.758 55 L CB -1.167 40.803 42.059 -0.148 0.000 0.891 55 L HN 0.852 nan 8.230 nan 0.000 0.433 56 G N -1.135 107.552 108.800 -0.188 0.000 2.586 56 G HA2 -0.396 3.565 3.960 0.002 0.000 0.218 56 G HA3 -0.396 3.565 3.960 0.002 0.000 0.218 56 G C 1.532 176.372 174.900 -0.100 0.000 1.216 56 G CA 1.577 46.554 45.100 -0.205 0.000 0.786 56 G HN 0.599 nan 8.290 nan 0.000 0.583 57 S N 0.867 116.550 115.700 -0.028 0.000 2.461 57 S HA 0.375 4.846 4.470 0.002 0.000 0.228 57 S C 2.537 177.158 174.600 0.035 0.000 1.005 57 S CA 1.182 59.396 58.200 0.022 0.000 0.942 57 S CB -0.166 63.049 63.200 0.025 0.000 0.776 57 S HN 0.669 nan 8.310 nan 0.000 0.514 58 A N 2.957 125.781 122.820 0.008 0.000 1.851 58 A HA 0.015 4.336 4.320 0.002 0.000 0.216 58 A C 2.260 179.891 177.584 0.079 0.000 1.195 58 A CA 1.658 53.718 52.037 0.038 0.000 0.622 58 A CB -1.129 17.867 19.000 -0.007 0.000 0.831 58 A HN 0.512 nan 8.150 nan 0.000 0.444 59 L N -1.132 120.083 121.223 -0.014 0.000 2.081 59 L HA -0.291 4.050 4.340 0.002 0.000 0.212 59 L C 2.930 179.911 176.870 0.186 0.000 1.080 59 L CA 1.876 56.727 54.840 0.019 0.000 0.754 59 L CB -0.575 41.375 42.059 -0.181 0.000 0.893 59 L HN 0.542 nan 8.230 nan 0.000 0.433 60 Q N -0.496 119.400 119.800 0.161 0.000 2.123 60 Q HA -0.236 4.106 4.340 0.002 0.000 0.199 60 Q C 2.126 178.222 176.000 0.160 0.000 0.966 60 Q CA 1.422 57.333 55.803 0.179 0.000 0.845 60 Q CB 0.090 28.914 28.738 0.145 0.000 0.907 60 Q HN 0.423 nan 8.270 nan 0.000 0.439 61 E N -0.046 120.245 120.200 0.151 0.000 2.106 61 E HA -0.197 4.154 4.350 0.002 0.000 0.192 61 E C 1.536 178.261 176.600 0.207 0.000 0.984 61 E CA 0.737 57.224 56.400 0.146 0.000 0.806 61 E CB -0.120 29.655 29.700 0.126 0.000 0.750 61 E HN 0.297 nan 8.360 nan 0.000 0.458 62 F N 0.768 120.799 119.950 0.134 0.000 2.095 62 F HA -0.121 4.407 4.527 0.002 0.000 0.298 62 F C 2.068 177.988 175.800 0.200 0.000 1.104 62 F CA 2.079 60.207 58.000 0.213 0.000 1.232 62 F CB -0.773 38.322 39.000 0.159 0.000 0.987 62 F HN 0.129 nan 8.300 nan 0.000 0.475 63 G N -0.120 108.888 108.800 0.348 0.000 2.505 63 G HA2 -0.330 3.632 3.960 0.002 0.000 0.220 63 G HA3 -0.330 3.632 3.960 0.002 0.000 0.220 63 G C 1.853 176.799 174.900 0.078 0.000 1.145 63 G CA 1.043 46.266 45.100 0.205 0.000 0.761 63 G HN 0.334 nan 8.290 nan 0.000 0.571 64 R N -0.381 120.155 120.500 0.061 0.000 2.075 64 R HA 0.006 4.348 4.340 0.002 0.000 0.232 64 R C 2.825 179.089 176.300 -0.060 0.000 1.126 64 R CA 1.426 57.535 56.100 0.016 0.000 0.963 64 R CB -0.146 30.170 30.300 0.026 0.000 0.858 64 R HN 0.444 nan 8.270 nan 0.000 0.435 65 Q N -1.206 118.515 119.800 -0.131 0.000 2.331 65 Q HA 0.069 4.410 4.340 0.002 0.000 0.203 65 Q C 1.605 177.335 176.000 -0.451 0.000 0.944 65 Q CA 0.975 56.600 55.803 -0.297 0.000 0.892 65 Q CB 0.504 29.025 28.738 -0.362 0.000 0.983 65 Q HN 0.293 nan 8.270 nan 0.000 0.482 66 A N 0.613 123.206 122.820 -0.378 0.000 2.115 66 A HA -0.007 4.314 4.320 0.002 0.000 0.211 66 A C 0.524 178.035 177.584 -0.122 0.000 1.169 66 A CA 0.707 52.551 52.037 -0.321 0.000 0.787 66 A CB 0.290 19.103 19.000 -0.312 0.000 0.858 66 A HN 0.367 nan 8.150 nan 0.000 0.474 67 D N -2.169 118.194 120.400 -0.062 0.000 2.907 67 D HA -0.159 4.482 4.640 0.002 0.000 0.226 67 D C -0.376 175.969 176.300 0.075 0.000 1.141 67 D CA 0.976 54.989 54.000 0.022 0.000 0.779 67 D CB -1.625 39.183 40.800 0.014 0.000 1.095 67 D HN 0.459 nan 8.370 nan 0.000 0.430 68 I N 0.384 121.015 120.570 0.103 0.000 2.619 68 I HA 0.341 4.513 4.170 0.002 0.000 0.292 68 I C -0.269 175.966 176.117 0.198 0.000 1.100 68 I CA -0.801 60.596 61.300 0.162 0.000 1.043 68 I CB 1.598 39.717 38.000 0.198 0.000 1.239 68 I HN 0.038 nan 8.210 nan 0.000 0.420 69 Q N 5.101 125.013 119.800 0.186 0.000 2.327 69 Q HA 0.525 4.866 4.340 0.002 0.000 0.254 69 Q C -1.712 174.394 176.000 0.176 0.000 0.952 69 Q CA -0.200 55.710 55.803 0.179 0.000 0.884 69 Q CB 1.286 30.125 28.738 0.168 0.000 1.224 69 Q HN 0.475 nan 8.270 nan 0.000 0.422 70 V N 5.474 125.495 119.914 0.178 0.000 2.495 70 V HA 0.478 4.599 4.120 0.002 0.000 0.298 70 V C -0.381 175.796 176.094 0.138 0.000 1.031 70 V CA -0.776 61.629 62.300 0.174 0.000 0.871 70 V CB 1.216 33.184 31.823 0.241 0.000 0.988 70 V HN 0.744 nan 8.190 nan 0.000 0.432 71 L N 5.754 127.039 121.223 0.103 0.000 2.342 71 L HA 0.827 5.168 4.340 0.002 0.000 0.271 71 L C -0.808 176.121 176.870 0.098 0.000 1.008 71 L CA -0.715 54.131 54.840 0.011 0.000 0.818 71 L CB 1.869 43.947 42.059 0.030 0.000 1.296 71 L HN 0.859 nan 8.230 nan 0.000 0.427 72 Y N -0.223 120.078 120.300 0.001 0.000 2.702 72 Y HA 0.573 5.124 4.550 0.002 0.000 0.336 72 Y C -1.282 174.616 175.900 -0.003 0.000 1.203 72 Y CA -1.642 56.452 58.100 -0.010 0.000 1.072 72 Y CB 0.995 39.442 38.460 -0.022 0.000 1.327 72 Y HN 0.324 nan 8.280 nan 0.000 0.456 73 R N 2.864 123.489 120.500 0.209 0.000 2.202 73 R HA 0.392 4.733 4.340 0.002 0.000 0.334 73 R C -2.161 174.298 176.300 0.265 0.000 1.036 73 R CA -2.018 54.162 56.100 0.134 0.000 0.878 73 R CB 0.758 31.106 30.300 0.081 0.000 1.067 73 R HN 0.463 nan 8.270 nan 0.000 0.457 74 P HA -0.288 nan 4.420 nan 0.000 0.217 74 P C 0.745 178.124 177.300 0.131 0.000 1.151 74 P CA 1.307 64.562 63.100 0.258 0.000 0.849 74 P CB 0.225 32.015 31.700 0.151 0.000 0.787 75 E N 0.759 121.011 120.200 0.087 0.000 2.110 75 E HA -0.228 4.123 4.350 0.002 0.000 0.193 75 E C 1.405 178.028 176.600 0.039 0.000 0.988 75 E CA 1.361 57.792 56.400 0.050 0.000 0.804 75 E CB -1.014 28.708 29.700 0.037 0.000 0.745 75 E HN 0.366 nan 8.360 nan 0.000 0.458 76 E N 0.691 120.921 120.200 0.050 0.000 2.482 76 E HA -0.043 4.309 4.350 0.002 0.000 0.196 76 E C 1.891 178.492 176.600 0.001 0.000 1.047 76 E CA 0.881 57.297 56.400 0.027 0.000 0.869 76 E CB 0.517 30.237 29.700 0.034 0.000 0.836 76 E HN 0.382 nan 8.360 nan 0.000 0.520 77 V N -1.511 118.399 119.914 -0.007 0.000 3.604 77 V HA 0.097 4.218 4.120 0.002 0.000 0.277 77 V C 2.011 178.071 176.094 -0.056 0.000 1.399 77 V CA 0.207 62.464 62.300 -0.072 0.000 1.034 77 V CB 0.100 31.803 31.823 -0.200 0.000 0.824 77 V HN 0.082 nan 8.190 nan 0.000 0.439 78 R N 1.911 122.401 120.500 -0.017 0.000 2.226 78 R HA -0.125 4.216 4.340 0.002 0.000 0.246 78 R C 0.437 176.726 176.300 -0.018 0.000 1.161 78 R CA 2.458 58.553 56.100 -0.009 0.000 0.997 78 R CB -0.807 29.498 30.300 0.010 0.000 0.870 78 R HN 0.670 nan 8.270 nan 0.000 0.465 79 N N 0.112 118.798 118.700 -0.023 0.000 2.672 79 N HA 0.195 4.936 4.740 0.002 0.000 0.295 79 N C -1.625 173.868 175.510 -0.028 0.000 1.924 79 N CA -0.499 52.538 53.050 -0.021 0.000 0.851 79 N CB 1.037 39.516 38.487 -0.013 0.000 1.281 79 N HN 0.045 nan 8.380 nan 0.000 0.494 80 K N 0.653 121.029 120.400 -0.040 0.000 2.477 80 K HA 0.431 4.753 4.320 0.002 0.000 0.255 80 K C -0.829 175.742 176.600 -0.049 0.000 0.952 80 K CA -0.690 55.569 56.287 -0.046 0.000 0.826 80 K CB 2.786 35.249 32.500 -0.061 0.000 1.331 80 K HN 0.099 nan 8.250 nan 0.000 0.437 81 R N 1.309 121.783 120.500 -0.043 0.000 2.255 81 R HA 0.187 4.529 4.340 0.002 0.000 0.326 81 R C -0.025 176.247 176.300 -0.046 0.000 0.986 81 R CA -0.184 55.893 56.100 -0.037 0.000 0.847 81 R CB 0.966 31.250 30.300 -0.026 0.000 1.111 81 R HN 0.840 nan 8.270 nan 0.000 0.452 82 S N 2.641 118.313 115.700 -0.047 0.000 2.572 82 S HA 0.153 4.624 4.470 0.002 0.000 0.279 82 S C -0.020 174.561 174.600 -0.032 0.000 1.341 82 S CA -0.647 57.524 58.200 -0.048 0.000 1.043 82 S CB 1.170 64.347 63.200 -0.039 0.000 0.887 82 S HN 0.617 nan 8.310 nan 0.000 0.516 83 S N 1.548 117.227 115.700 -0.035 0.000 2.608 83 S HA 0.759 5.230 4.470 0.002 0.000 0.291 83 S C 0.099 174.691 174.600 -0.013 0.000 1.146 83 S CA -0.714 57.473 58.200 -0.022 0.000 1.043 83 S CB 1.069 64.255 63.200 -0.024 0.000 1.037 83 S HN 1.336 nan 8.310 nan 0.000 0.520 84 A N 1.926 124.745 122.820 -0.002 0.000 2.520 84 A HA 0.483 4.804 4.320 0.002 0.000 0.245 84 A C 0.334 177.923 177.584 0.009 0.000 1.072 84 A CA -0.512 51.532 52.037 0.011 0.000 0.761 84 A CB -0.868 18.142 19.000 0.015 0.000 1.004 84 A HN 0.975 nan 8.150 nan 0.000 0.499 85 I N -0.519 120.066 120.570 0.025 0.000 2.530 85 I HA 0.917 5.089 4.170 0.002 0.000 0.297 85 I C -0.515 175.646 176.117 0.074 0.000 1.011 85 I CA -1.122 60.191 61.300 0.022 0.000 1.107 85 I CB 2.173 40.149 38.000 -0.040 0.000 1.285 85 I HN 0.497 nan 8.210 nan 0.000 0.436 86 K N 3.483 123.930 120.400 0.077 0.000 2.546 86 K HA 0.803 5.124 4.320 0.002 0.000 0.264 86 K C -0.459 176.205 176.600 0.107 0.000 0.937 86 K CA 0.457 56.804 56.287 0.100 0.000 0.833 86 K CB 2.090 34.630 32.500 0.066 0.000 1.378 86 K HN 1.343 nan 8.250 nan 0.000 0.432 87 G N 2.090 110.963 108.800 0.122 0.000 2.685 87 G HA2 -0.151 3.810 3.960 0.002 0.000 0.387 87 G HA3 -0.151 3.810 3.960 0.002 0.000 0.387 87 G C -1.362 173.628 174.900 0.150 0.000 1.324 87 G CA -0.489 44.674 45.100 0.105 0.000 0.878 87 G HN 0.637 nan 8.290 nan 0.000 0.527 88 K N 0.361 120.827 120.400 0.111 0.000 2.315 88 K HA 0.493 4.814 4.320 0.002 0.000 0.291 88 K C 0.234 176.923 176.600 0.148 0.000 1.074 88 K CA -0.066 56.294 56.287 0.121 0.000 0.936 88 K CB -0.358 32.183 32.500 0.069 0.000 1.049 88 K HN 0.434 nan 8.250 nan 0.000 0.471 89 L N 2.566 123.938 121.223 0.247 0.000 2.323 89 L HA 0.396 4.738 4.340 0.002 0.000 0.265 89 L C 0.198 177.211 176.870 0.237 0.000 1.012 89 L CA -1.273 53.685 54.840 0.198 0.000 0.820 89 L CB 1.721 43.852 42.059 0.119 0.000 1.334 89 L HN 0.473 nan 8.230 nan 0.000 0.427 90 E N 1.607 121.896 120.200 0.149 0.000 2.392 90 E HA 0.049 4.401 4.350 0.002 0.000 0.264 90 E C -1.723 175.007 176.600 0.216 0.000 1.024 90 E CA -1.368 55.122 56.400 0.150 0.000 0.903 90 E CB 1.097 30.845 29.700 0.079 0.000 0.963 90 E HN 0.318 nan 8.360 nan 0.000 0.432 91 P HA -0.181 nan 4.420 nan 0.000 0.215 91 P C 0.947 178.486 177.300 0.399 0.000 1.153 91 P CA 1.338 64.683 63.100 0.408 0.000 0.853 91 P CB 0.151 32.074 31.700 0.372 0.000 0.788 92 N N 0.328 119.173 118.700 0.242 0.000 2.188 92 N HA -0.196 4.545 4.740 0.002 0.000 0.184 92 N C 1.844 177.445 175.510 0.151 0.000 1.018 92 N CA 1.418 54.602 53.050 0.222 0.000 0.858 92 N CB -1.372 37.041 38.487 -0.124 0.000 0.989 92 N HN 0.240 nan 8.380 nan 0.000 0.426 93 Q N 0.104 119.954 119.800 0.084 0.000 2.084 93 Q HA 0.008 4.349 4.340 0.002 0.000 0.202 93 Q C 1.909 177.909 176.000 -0.000 0.000 0.978 93 Q CA 1.686 57.512 55.803 0.037 0.000 0.844 93 Q CB -0.183 28.573 28.738 0.030 0.000 0.898 93 Q HN 0.489 nan 8.270 nan 0.000 0.426 94 A N 0.746 123.550 122.820 -0.026 0.000 1.855 94 A HA -0.167 4.155 4.320 0.002 0.000 0.215 94 A C 1.991 179.502 177.584 -0.122 0.000 1.191 94 A CA 1.327 53.260 52.037 -0.174 0.000 0.613 94 A CB -0.732 17.877 19.000 -0.651 0.000 0.829 94 A HN 0.525 nan 8.150 nan 0.000 0.442 95 I N -0.581 119.923 120.570 -0.110 0.000 2.226 95 I HA -0.177 3.995 4.170 0.002 0.000 0.245 95 I C 2.374 178.346 176.117 -0.241 0.000 1.100 95 I CA 2.353 63.366 61.300 -0.479 0.000 1.374 95 I CB -0.637 36.984 38.000 -0.632 0.000 1.057 95 I HN 0.301 nan 8.210 nan 0.000 0.413 96 T N 0.394 114.893 114.554 -0.091 0.000 2.665 96 T HA -0.208 4.143 4.350 0.002 0.000 0.268 96 T C 1.895 176.552 174.700 -0.071 0.000 1.035 96 T CA 1.823 63.891 62.100 -0.052 0.000 1.151 96 T CB -0.197 68.676 68.868 0.007 0.000 0.862 96 T HN 0.381 nan 8.240 nan 0.000 0.438 97 E N 0.625 120.780 120.200 -0.075 0.000 2.076 97 E HA 0.033 4.384 4.350 0.002 0.000 0.190 97 E C 2.217 178.772 176.600 -0.075 0.000 0.979 97 E CA 0.458 56.820 56.400 -0.063 0.000 0.807 97 E CB -0.504 29.166 29.700 -0.051 0.000 0.761 97 E HN 0.476 nan 8.360 nan 0.000 0.454 98 L N 0.510 121.670 121.223 -0.105 0.000 2.265 98 L HA -0.100 4.241 4.340 0.002 0.000 0.215 98 L C 1.800 178.605 176.870 -0.108 0.000 1.117 98 L CA 0.831 55.613 54.840 -0.098 0.000 0.782 98 L CB -0.019 41.974 42.059 -0.109 0.000 0.914 98 L HN 0.081 nan 8.230 nan 0.000 0.441 99 L N -0.466 120.681 121.223 -0.126 0.000 2.592 99 L HA 0.105 4.446 4.340 0.002 0.000 0.227 99 L C 1.263 178.087 176.870 -0.075 0.000 1.127 99 L CA -0.254 54.518 54.840 -0.113 0.000 0.884 99 L CB -0.304 41.676 42.059 -0.132 0.000 1.065 99 L HN 0.139 nan 8.230 nan 0.000 0.457 100 R N 0.447 120.910 120.500 -0.061 0.000 2.640 100 R HA 0.097 4.438 4.340 0.002 0.000 0.270 100 R C 1.269 177.546 176.300 -0.039 0.000 1.024 100 R CA 1.051 57.126 56.100 -0.042 0.000 1.085 100 R CB 0.310 30.591 30.300 -0.033 0.000 0.963 100 R HN 0.308 nan 8.270 nan 0.000 0.426 101 G N 1.517 110.297 108.800 -0.032 0.000 2.220 101 G HA2 -0.390 3.571 3.960 0.002 0.000 0.269 101 G HA3 -0.390 3.571 3.960 0.002 0.000 0.269 101 G C 0.856 175.736 174.900 -0.033 0.000 0.977 101 G CA 1.109 46.192 45.100 -0.028 0.000 0.634 101 G HN 0.742 nan 8.290 nan 0.000 0.539 102 T N -1.884 112.644 114.554 -0.043 0.000 3.055 102 T HA 0.370 4.721 4.350 0.002 0.000 0.265 102 T C 2.462 177.137 174.700 -0.042 0.000 1.111 102 T CA 1.541 63.612 62.100 -0.049 0.000 1.118 102 T CB -0.165 68.662 68.868 -0.069 0.000 0.909 102 T HN 2.228 nan 8.240 nan 0.000 0.501 103 G N 1.192 109.970 108.800 -0.036 0.000 2.198 103 G HA2 0.014 3.975 3.960 0.002 0.000 0.260 103 G HA3 0.014 3.975 3.960 0.002 0.000 0.260 103 G C 0.136 175.017 174.900 -0.032 0.000 1.025 103 G CA 0.076 45.158 45.100 -0.029 0.000 0.769 103 G HN 1.258 nan 8.290 nan 0.000 0.507 104 A N -0.545 122.248 122.820 -0.045 0.000 2.340 104 A HA 0.944 5.265 4.320 0.002 0.000 0.331 104 A C 0.360 177.912 177.584 -0.055 0.000 1.140 104 A CA 0.499 52.506 52.037 -0.051 0.000 0.801 104 A CB 1.464 20.423 19.000 -0.069 0.000 1.234 104 A HN 1.552 nan 8.150 nan 0.000 0.469 105 S N -0.123 115.547 115.700 -0.051 0.000 2.621 105 S HA 0.789 5.260 4.470 0.002 0.000 0.302 105 S C -0.465 174.084 174.600 -0.085 0.000 1.093 105 S CA -0.697 57.472 58.200 -0.051 0.000 1.017 105 S CB 1.466 64.651 63.200 -0.026 0.000 1.077 105 S HN 0.987 nan 8.310 nan 0.000 0.517 106 V N 0.615 120.468 119.914 -0.103 0.000 2.555 106 V HA 0.551 4.672 4.120 0.002 0.000 0.302 106 V C -0.898 175.086 176.094 -0.183 0.000 1.038 106 V CA -0.836 61.337 62.300 -0.211 0.000 0.887 106 V CB 1.473 33.075 31.823 -0.369 0.000 0.991 106 V HN 0.851 nan 8.190 nan 0.000 0.434 107 D N 1.488 121.760 120.400 -0.213 0.000 2.217 107 D HA 0.610 5.251 4.640 0.002 0.000 0.248 107 D C -0.300 175.825 176.300 -0.291 0.000 1.008 107 D CA -0.205 53.717 54.000 -0.130 0.000 0.914 107 D CB 1.764 42.532 40.800 -0.054 0.000 1.182 107 D HN 0.505 nan 8.370 nan 0.000 0.451 108 F N 0.183 120.142 119.950 0.015 0.000 2.683 108 F HA 0.197 4.725 4.527 0.002 0.000 0.306 108 F C 0.961 176.770 175.800 0.015 0.000 1.102 108 F CA -0.356 57.660 58.000 0.026 0.000 1.244 108 F CB 0.531 39.551 39.000 0.033 0.000 1.029 108 F HN 0.172 nan 8.300 nan 0.000 0.545 109 Q N 0.230 120.093 119.800 0.105 0.000 2.394 109 Q HA 0.432 4.773 4.340 0.002 0.000 0.248 109 Q C 1.069 177.070 176.000 0.002 0.000 0.992 109 Q CA 0.841 56.674 55.803 0.051 0.000 0.888 109 Q CB 0.931 29.677 28.738 0.013 0.000 1.257 109 Q HN 0.463 nan 8.270 nan 0.000 0.462 110 G N 2.206 111.003 108.800 -0.006 0.000 2.564 110 G HA2 -0.324 3.637 3.960 0.002 0.000 0.273 110 G HA3 -0.324 3.637 3.960 0.002 0.000 0.273 110 G C -0.044 174.886 174.900 0.050 0.000 1.242 110 G CA 0.165 45.258 45.100 -0.011 0.000 0.951 110 G HN 0.840 nan 8.290 nan 0.000 0.564 111 N N 1.977 120.714 118.700 0.062 0.000 2.321 111 N HA 0.475 5.216 4.740 0.002 0.000 0.242 111 N C 0.165 175.744 175.510 0.116 0.000 1.141 111 N CA 0.690 53.799 53.050 0.097 0.000 0.864 111 N CB 1.102 39.644 38.487 0.091 0.000 1.100 111 N HN 1.052 nan 8.380 nan 0.000 0.510 112 A N 1.129 124.007 122.820 0.097 0.000 2.455 112 A HA 0.557 4.878 4.320 0.002 0.000 0.300 112 A C -0.298 177.308 177.584 0.036 0.000 1.040 112 A CA -0.822 51.272 52.037 0.094 0.000 0.697 112 A CB 1.128 20.190 19.000 0.105 0.000 1.265 112 A HN 0.307 nan 8.150 nan 0.000 0.407 113 I N 1.011 121.587 120.570 0.011 0.000 2.352 113 I HA 0.632 4.803 4.170 0.002 0.000 0.290 113 I C 0.270 176.327 176.117 -0.101 0.000 1.036 113 I CA 0.042 61.242 61.300 -0.165 0.000 1.336 113 I CB 1.256 39.083 38.000 -0.288 0.000 1.407 113 I HN 0.553 nan 8.210 nan 0.000 0.497 114 T N 5.824 120.301 114.554 -0.127 0.000 2.794 114 T HA 0.623 4.975 4.350 0.002 0.000 0.280 114 T C -0.161 174.492 174.700 -0.079 0.000 0.987 114 T CA -0.791 61.277 62.100 -0.053 0.000 0.993 114 T CB 1.343 70.196 68.868 -0.025 0.000 0.939 114 T HN 0.506 nan 8.240 nan 0.000 0.449 115 I N 3.674 124.234 120.570 -0.016 0.000 2.377 115 I HA 0.492 4.663 4.170 0.002 0.000 0.293 115 I C 0.648 176.771 176.117 0.010 0.000 0.987 115 I CA -0.649 60.633 61.300 -0.030 0.000 1.185 115 I CB 1.433 39.415 38.000 -0.030 0.000 1.341 115 I HN 0.998 nan 8.210 nan 0.000 0.455 116 S N 5.296 120.989 115.700 -0.013 0.000 2.900 116 S HA 0.832 5.303 4.470 0.002 0.000 0.320 116 S C -0.541 174.054 174.600 -0.009 0.000 1.130 116 S CA -0.657 57.545 58.200 0.002 0.000 0.863 116 S CB 2.228 65.431 63.200 0.006 0.000 1.295 116 S HN 0.305 nan 8.310 nan 0.000 0.596 137 L N 1.317 122.591 121.223 0.086 0.000 2.728 137 L HA 0.420 4.761 4.340 0.002 0.000 0.235 137 L C 0.913 177.805 176.870 0.037 0.000 1.197 137 L CA 0.440 55.314 54.840 0.056 0.000 0.992 137 L CB 0.078 42.175 42.059 0.064 0.000 1.263 137 L HN 0.331 nan 8.230 nan 0.000 0.484 138 G N 0.648 109.471 108.800 0.039 0.000 2.681 138 G HA2 -0.252 3.709 3.960 0.002 0.000 0.220 138 G HA3 -0.252 3.709 3.960 0.002 0.000 0.220 138 G C -0.018 174.905 174.900 0.038 0.000 1.353 138 G CA -0.305 44.812 45.100 0.029 0.000 0.872 138 G HN 0.269 nan 8.290 nan 0.000 0.557 139 T N -1.322 113.252 114.554 0.033 0.000 2.889 139 T HA 0.636 4.987 4.350 0.002 0.000 0.291 139 T C 0.829 175.555 174.700 0.045 0.000 0.995 139 T CA -0.268 61.856 62.100 0.040 0.000 1.092 139 T CB 1.209 70.099 68.868 0.037 0.000 0.954 139 T HN 0.795 nan 8.240 nan 0.000 0.506 140 I N 3.329 123.932 120.570 0.054 0.000 2.752 140 I HA 0.097 4.269 4.170 0.002 0.000 0.287 140 I C 1.974 178.124 176.117 0.055 0.000 1.188 140 I CA 0.367 61.702 61.300 0.060 0.000 1.427 140 I CB 1.161 39.203 38.000 0.069 0.000 1.365 140 I HN 1.050 nan 8.210 nan 0.000 0.585 141 T N 0.581 115.169 114.554 0.056 0.000 3.034 141 T HA 0.085 4.436 4.350 0.002 0.000 0.248 141 T C 0.763 175.498 174.700 0.058 0.000 1.040 141 T CA -0.342 61.791 62.100 0.056 0.000 1.107 141 T CB -0.217 68.684 68.868 0.054 0.000 0.932 141 T HN 0.585 nan 8.240 nan 0.000 0.474 142 E N 1.709 121.943 120.200 0.056 0.000 2.829 142 E HA -0.116 4.235 4.350 0.002 0.000 0.264 142 E C -0.192 176.434 176.600 0.043 0.000 0.922 142 E CA 0.705 57.134 56.400 0.048 0.000 0.960 142 E CB -0.023 29.709 29.700 0.054 0.000 0.918 142 E HN 0.306 nan 8.360 nan 0.000 0.497 143 D N 1.117 121.536 120.400 0.032 0.000 2.792 143 D HA -0.234 4.407 4.640 0.002 0.000 0.192 143 D C 0.968 177.289 176.300 0.034 0.000 1.007 143 D CA 1.573 55.590 54.000 0.029 0.000 1.020 143 D CB -1.548 39.271 40.800 0.033 0.000 1.089 143 D HN 0.461 nan 8.370 nan 0.000 0.438 144 S N -0.670 115.056 115.700 0.043 0.000 2.496 144 S HA 0.280 4.751 4.470 0.002 0.000 0.224 144 S C 1.936 176.561 174.600 0.042 0.000 0.996 144 S CA 1.469 59.695 58.200 0.044 0.000 0.927 144 S CB 0.412 63.642 63.200 0.051 0.000 0.774 144 S HN 1.116 nan 8.310 nan 0.000 0.524 145 G N 0.938 109.767 108.800 0.049 0.000 2.166 145 G HA2 -0.285 3.677 3.960 0.002 0.000 0.260 145 G HA3 -0.285 3.677 3.960 0.002 0.000 0.260 145 G C 0.118 175.057 174.900 0.065 0.000 0.986 145 G CA 0.671 45.800 45.100 0.049 0.000 0.683 145 G HN 1.289 nan 8.290 nan 0.000 0.527 146 S N -1.692 114.071 115.700 0.105 0.000 2.621 146 S HA 0.734 5.205 4.470 0.002 0.000 0.302 146 S C 0.840 175.629 174.600 0.316 0.000 1.093 146 S CA -0.626 57.648 58.200 0.123 0.000 1.017 146 S CB 1.248 64.494 63.200 0.076 0.000 1.077 146 S HN 0.269 nan 8.310 nan 0.000 0.517 147 Y N 1.168 121.498 120.300 0.050 0.000 2.462 147 Y HA 0.320 4.871 4.550 0.002 0.000 0.261 147 Y C 1.558 177.482 175.900 0.039 0.000 1.146 147 Y CA -0.193 57.942 58.100 0.058 0.000 1.283 147 Y CB -0.485 38.025 38.460 0.082 0.000 1.090 147 Y HN 0.582 nan 8.280 nan 0.000 0.526 148 T N 3.022 117.682 114.554 0.177 0.000 2.907 148 T HA 0.349 4.700 4.350 0.002 0.000 0.284 148 T C -2.392 172.354 174.700 0.076 0.000 1.004 148 T CA -1.936 60.227 62.100 0.104 0.000 1.063 148 T CB 1.282 70.197 68.868 0.079 0.000 0.992 148 T HN -0.128 nan 8.240 nan 0.000 0.483 149 P HA 0.316 nan 4.420 nan 0.000 0.275 149 P C 0.377 177.697 177.300 0.033 0.000 1.266 149 P CA -0.286 62.834 63.100 0.035 0.000 0.793 149 P CB 0.752 32.461 31.700 0.015 0.000 1.074 150 G N 0.001 108.818 108.800 0.028 0.000 2.651 150 G HA2 0.247 4.209 3.960 0.002 0.000 0.226 150 G HA3 0.247 4.209 3.960 0.002 0.000 0.226 150 G C -0.029 174.882 174.900 0.018 0.000 1.542 150 G CA 0.431 45.547 45.100 0.026 0.000 0.868 150 G HN 0.719 nan 8.290 nan 0.000 0.588 151 T N -1.028 113.536 114.554 0.017 0.000 2.924 151 T HA 0.713 5.065 4.350 0.002 0.000 0.291 151 T C -0.534 174.169 174.700 0.005 0.000 1.045 151 T CA -0.694 61.413 62.100 0.011 0.000 1.015 151 T CB 2.087 70.964 68.868 0.015 0.000 1.103 151 T HN 0.763 nan 8.240 nan 0.000 0.496 152 I N -2.093 118.474 120.570 -0.006 0.000 3.006 152 I HA 0.800 4.971 4.170 0.002 0.000 0.306 152 I C -0.270 175.831 176.117 -0.027 0.000 1.250 152 I CA -1.759 59.529 61.300 -0.020 0.000 0.996 152 I CB 2.121 40.099 38.000 -0.037 0.000 1.261 152 I HN 0.801 nan 8.210 nan 0.000 0.442 153 A N 1.887 124.683 122.820 -0.040 0.000 2.643 153 A HA 0.394 4.715 4.320 0.002 0.000 0.295 153 A C 0.847 178.373 177.584 -0.097 0.000 1.065 153 A CA -0.127 51.876 52.037 -0.057 0.000 0.986 153 A CB -0.470 18.505 19.000 -0.041 0.000 1.212 153 A HN 0.825 nan 8.150 nan 0.000 0.516 154 T N -0.287 114.205 114.554 -0.104 0.000 2.851 154 T HA 0.039 4.390 4.350 0.002 0.000 0.262 154 T C 2.265 176.868 174.700 -0.161 0.000 1.043 154 T CA 1.452 63.472 62.100 -0.133 0.000 1.140 154 T CB -0.125 68.665 68.868 -0.130 0.000 0.872 154 T HN 0.564 nan 8.240 nan 0.000 0.446 155 A N 2.095 124.824 122.820 -0.151 0.000 1.841 155 A HA -0.062 4.259 4.320 0.002 0.000 0.214 155 A C 2.494 179.924 177.584 -0.257 0.000 1.195 155 A CA 2.134 54.071 52.037 -0.166 0.000 0.611 155 A CB -0.912 18.004 19.000 -0.140 0.000 0.835 155 A HN 0.592 nan 8.150 nan 0.000 0.443 156 T N -7.041 107.374 114.554 -0.232 0.000 3.004 156 T HA 0.412 4.763 4.350 0.002 0.000 0.266 156 T C 0.817 175.414 174.700 -0.170 0.000 0.986 156 T CA 0.716 62.664 62.100 -0.252 0.000 0.902 156 T CB 0.622 69.409 68.868 -0.134 0.000 1.118 156 T HN 0.409 nan 8.240 nan 0.000 0.522 157 R N -0.573 119.821 120.500 -0.175 0.000 3.606 157 R HA -0.105 4.236 4.340 0.002 0.000 0.439 157 R C -0.379 175.850 176.300 -0.120 0.000 0.585 157 R CA 0.978 56.955 56.100 -0.204 0.000 1.521 157 R CB -2.361 27.756 30.300 -0.305 0.000 2.112 157 R HN 0.565 nan 8.270 nan 0.000 0.375 158 L N 1.332 122.520 121.223 -0.059 0.000 2.490 158 L HA 0.111 4.452 4.340 0.002 0.000 0.274 158 L C 0.488 177.355 176.870 -0.005 0.000 1.201 158 L CA -0.077 54.754 54.840 -0.014 0.000 0.869 158 L CB 0.638 42.719 42.059 0.038 0.000 1.123 158 L HN -0.125 nan 8.230 nan 0.000 0.484 159 V N 6.132 126.047 119.914 0.002 0.000 2.364 159 V HA 0.162 4.283 4.120 0.002 0.000 0.252 159 V C 0.334 176.437 176.094 0.016 0.000 1.075 159 V CA 0.195 62.500 62.300 0.009 0.000 1.033 159 V CB -0.141 31.692 31.823 0.018 0.000 1.116 159 V HN 0.440 nan 8.190 nan 0.000 0.488 160 L N 3.932 125.166 121.223 0.018 0.000 2.323 160 L HA 0.672 5.013 4.340 0.002 0.000 0.265 160 L C 0.708 177.586 176.870 0.013 0.000 1.012 160 L CA -0.773 54.084 54.840 0.030 0.000 0.820 160 L CB 2.191 44.290 42.059 0.068 0.000 1.334 160 L HN 0.562 nan 8.230 nan 0.000 0.427 161 T N -2.789 111.774 114.554 0.016 0.000 2.766 161 T HA 0.208 4.560 4.350 0.002 0.000 0.295 161 T C -2.030 172.666 174.700 -0.007 0.000 1.024 161 T CA -1.261 60.842 62.100 0.006 0.000 1.018 161 T CB 0.802 69.675 68.868 0.009 0.000 1.002 161 T HN 0.375 nan 8.240 nan 0.000 0.532 162 P HA -0.024 nan 4.420 nan 0.000 0.217 162 P C 1.652 178.922 177.300 -0.049 0.000 1.151 162 P CA 0.711 63.789 63.100 -0.038 0.000 0.828 162 P CB -0.013 31.676 31.700 -0.019 0.000 0.788 163 R N 0.794 121.284 120.500 -0.016 0.000 2.152 163 R HA -0.139 4.202 4.340 0.002 0.000 0.232 163 R C 1.661 177.967 176.300 0.010 0.000 1.117 163 R CA 1.458 57.559 56.100 0.000 0.000 0.981 163 R CB -0.324 29.980 30.300 0.007 0.000 0.870 163 R HN 0.216 nan 8.270 nan 0.000 0.451 164 E N -0.295 119.917 120.200 0.020 0.000 2.358 164 E HA -0.013 4.338 4.350 0.002 0.000 0.195 164 E C -0.209 176.430 176.600 0.065 0.000 1.010 164 E CA 0.574 57.019 56.400 0.075 0.000 0.856 164 E CB 0.359 30.112 29.700 0.088 0.000 0.795 164 E HN 0.173 nan 8.360 nan 0.000 0.504 165 T N 3.108 117.622 114.554 -0.067 0.000 2.743 165 T HA 0.138 4.489 4.350 0.002 0.000 0.293 165 T C -2.194 172.275 174.700 -0.385 0.000 0.945 165 T CA -1.346 60.641 62.100 -0.189 0.000 1.030 165 T CB 1.401 70.168 68.868 -0.167 0.000 0.912 165 T HN -0.005 nan 8.240 nan 0.000 0.483 166 P HA 0.248 nan 4.420 nan 0.000 0.227 166 P C -0.498 176.558 177.300 -0.407 0.000 1.801 166 P CA -0.164 62.653 63.100 -0.473 0.000 0.971 166 P CB 0.248 31.851 31.700 -0.163 0.000 1.653 167 Q N -0.574 118.936 119.800 -0.483 0.000 2.340 167 Q HA 0.353 4.695 4.340 0.002 0.000 0.276 167 Q C -0.650 175.224 176.000 -0.211 0.000 1.048 167 Q CA -0.581 55.080 55.803 -0.236 0.000 0.832 167 Q CB 2.061 30.698 28.738 -0.169 0.000 1.373 167 Q HN -0.125 nan 8.270 nan 0.000 0.409 168 S N 2.181 117.835 115.700 -0.077 0.000 2.571 168 S HA 0.128 4.599 4.470 0.002 0.000 0.297 168 S C -0.482 174.054 174.600 -0.107 0.000 1.234 168 S CA 0.223 58.386 58.200 -0.062 0.000 1.120 168 S CB -0.336 62.825 63.200 -0.065 0.000 0.923 168 S HN 0.367 nan 8.310 nan 0.000 0.504 169 I N 4.380 124.892 120.570 -0.097 0.000 2.499 169 I HA 0.422 4.593 4.170 0.002 0.000 0.288 169 I C -0.531 175.543 176.117 -0.071 0.000 1.048 169 I CA -0.004 61.236 61.300 -0.100 0.000 1.062 169 I CB 1.918 39.852 38.000 -0.109 0.000 1.238 169 I HN 0.403 nan 8.210 nan 0.000 0.426 170 T N 6.394 120.900 114.554 -0.080 0.000 2.824 170 T HA 0.688 5.040 4.350 0.002 0.000 0.282 170 T C -0.912 173.745 174.700 -0.072 0.000 0.993 170 T CA -0.485 61.578 62.100 -0.062 0.000 0.967 170 T CB 1.600 70.427 68.868 -0.068 0.000 0.960 170 T HN 0.313 nan 8.240 nan 0.000 0.441 171 V N 3.319 123.203 119.914 -0.049 0.000 2.604 171 V HA 0.437 4.558 4.120 0.002 0.000 0.305 171 V C -0.201 175.861 176.094 -0.053 0.000 1.043 171 V CA -0.847 61.419 62.300 -0.056 0.000 0.888 171 V CB 2.168 33.968 31.823 -0.037 0.000 0.995 171 V HN 0.707 nan 8.190 nan 0.000 0.429 172 V N 4.475 124.342 119.914 -0.079 0.000 2.368 172 V HA 0.307 4.428 4.120 0.002 0.000 0.266 172 V C 0.797 176.848 176.094 -0.070 0.000 1.045 172 V CA -0.183 62.062 62.300 -0.092 0.000 0.899 172 V CB 1.471 33.222 31.823 -0.120 0.000 1.006 172 V HN 1.080 nan 8.190 nan 0.000 0.470 173 T N 2.589 117.110 114.554 -0.055 0.000 2.882 173 T HA 0.286 4.638 4.350 0.002 0.000 0.287 173 T C 1.155 175.847 174.700 -0.013 0.000 1.014 173 T CA -0.478 61.618 62.100 -0.007 0.000 1.049 173 T CB 1.222 70.123 68.868 0.054 0.000 1.001 173 T HN 0.460 nan 8.240 nan 0.000 0.525 174 R N 0.786 121.300 120.500 0.023 0.000 2.119 174 R HA -0.161 4.180 4.340 0.002 0.000 0.246 174 R C 2.442 178.757 176.300 0.025 0.000 1.146 174 R CA 2.111 58.227 56.100 0.026 0.000 0.962 174 R CB -1.149 29.177 30.300 0.043 0.000 0.863 174 R HN 0.804 nan 8.270 nan 0.000 0.442 175 Q N 0.084 119.926 119.800 0.069 0.000 2.050 175 Q HA -0.121 4.220 4.340 0.002 0.000 0.202 175 Q C 1.740 177.800 176.000 0.101 0.000 0.980 175 Q CA 2.300 58.181 55.803 0.130 0.000 0.840 175 Q CB -0.498 28.401 28.738 0.269 0.000 0.898 175 Q HN 0.598 nan 8.270 nan 0.000 0.424 176 N N -1.330 117.305 118.700 -0.109 0.000 2.037 176 N HA -0.253 4.488 4.740 0.002 0.000 0.196 176 N C 1.747 177.203 175.510 -0.092 0.000 1.034 176 N CA 1.834 54.656 53.050 -0.381 0.000 0.861 176 N CB -0.117 38.049 38.487 -0.535 0.000 1.039 176 N HN 0.259 nan 8.380 nan 0.000 0.427 177 M N 0.330 119.874 119.600 -0.093 0.000 2.073 177 M HA -0.198 4.283 4.480 0.002 0.000 0.258 177 M C 1.432 177.707 176.300 -0.041 0.000 1.070 177 M CA 1.645 56.901 55.300 -0.073 0.000 1.103 177 M CB -0.183 32.390 32.600 -0.044 0.000 1.321 177 M HN 0.205 nan 8.290 nan 0.000 0.405 178 D N 0.355 120.737 120.400 -0.029 0.000 2.078 178 D HA -0.168 4.473 4.640 0.002 0.000 0.193 178 D C 1.609 177.869 176.300 -0.068 0.000 0.990 178 D CA 1.422 55.397 54.000 -0.041 0.000 0.827 178 D CB -0.691 40.083 40.800 -0.045 0.000 0.975 178 D HN 0.298 nan 8.370 nan 0.000 0.451 179 D N -0.502 119.855 120.400 -0.072 0.000 2.158 179 D HA -0.151 4.491 4.640 0.002 0.000 0.197 179 D C 1.301 177.311 176.300 -0.483 0.000 0.995 179 D CA 0.806 54.662 54.000 -0.240 0.000 0.846 179 D CB -0.271 40.409 40.800 -0.200 0.000 0.941 179 D HN 0.283 nan 8.370 nan 0.000 0.456 180 F N -0.617 119.276 119.950 -0.096 0.000 2.639 180 F HA 0.321 4.849 4.527 0.002 0.000 0.302 180 F C 1.607 177.314 175.800 -0.156 0.000 1.097 180 F CA -0.144 57.773 58.000 -0.139 0.000 1.294 180 F CB 0.371 39.202 39.000 -0.283 0.000 1.027 180 F HN -0.087 nan 8.300 nan 0.000 0.550 181 G N 1.770 110.557 108.800 -0.022 0.000 2.379 181 G HA2 -0.323 3.638 3.960 0.002 0.000 0.297 181 G HA3 -0.323 3.638 3.960 0.002 0.000 0.297 181 G C 0.199 175.079 174.900 -0.033 0.000 1.004 181 G CA -0.130 44.957 45.100 -0.021 0.000 0.921 181 G HN 0.369 nan 8.290 nan 0.000 0.511 182 L N -0.645 120.525 121.223 -0.087 0.000 2.530 182 L HA 0.205 4.547 4.340 0.002 0.000 0.273 182 L C 1.327 178.172 176.870 -0.042 0.000 1.141 182 L CA 0.099 54.867 54.840 -0.121 0.000 0.905 182 L CB 0.150 42.074 42.059 -0.226 0.000 1.202 182 L HN 0.264 nan 8.230 nan 0.000 0.473 183 N N 1.462 120.159 118.700 -0.006 0.000 2.294 183 N HA 0.004 4.745 4.740 0.002 0.000 0.186 183 N C -0.054 175.481 175.510 0.042 0.000 1.107 183 N CA -0.136 52.929 53.050 0.025 0.000 0.884 183 N CB 0.410 38.918 38.487 0.035 0.000 1.030 183 N HN 0.688 nan 8.380 nan 0.000 0.482 184 N N -0.379 118.343 118.700 0.037 0.000 3.038 184 N HA 0.146 4.887 4.740 0.002 0.000 0.307 184 N C 0.339 175.871 175.510 0.036 0.000 1.441 184 N CA -0.742 52.340 53.050 0.054 0.000 0.772 184 N CB 0.497 39.019 38.487 0.057 0.000 1.651 184 N HN -0.212 nan 8.380 nan 0.000 0.593 185 I N 0.166 120.770 120.570 0.056 0.000 2.394 185 I HA -0.151 4.020 4.170 0.002 0.000 0.251 185 I C 0.835 176.960 176.117 0.015 0.000 1.136 185 I CA 1.563 62.884 61.300 0.035 0.000 1.425 185 I CB -0.448 37.615 38.000 0.104 0.000 1.079 185 I HN 0.443 nan 8.210 nan 0.000 0.425 186 D N 0.877 121.334 120.400 0.095 0.000 2.077 186 D HA -0.201 4.441 4.640 0.002 0.000 0.193 186 D C 1.778 178.096 176.300 0.030 0.000 0.989 186 D CA 1.750 55.815 54.000 0.107 0.000 0.831 186 D CB -0.610 40.280 40.800 0.151 0.000 0.979 186 D HN 0.311 nan 8.370 nan 0.000 0.449 187 D N 0.300 120.723 120.400 0.038 0.000 2.248 187 D HA -0.171 4.470 4.640 0.002 0.000 0.189 187 D C 2.231 178.494 176.300 -0.061 0.000 1.011 187 D CA 0.932 54.934 54.000 0.003 0.000 0.868 187 D CB -0.622 40.163 40.800 -0.025 0.000 0.931 187 D HN 0.077 nan 8.370 nan 0.000 0.449 188 V N 0.571 120.426 119.914 -0.097 0.000 2.255 188 V HA -0.283 3.838 4.120 0.002 0.000 0.247 188 V C 2.476 178.490 176.094 -0.134 0.000 1.051 188 V CA 1.587 63.804 62.300 -0.138 0.000 1.018 188 V CB -0.391 31.346 31.823 -0.142 0.000 0.641 188 V HN 0.226 nan 8.190 nan 0.000 0.445 189 M N -0.454 119.018 119.600 -0.213 0.000 2.108 189 M HA -0.184 4.297 4.480 0.002 0.000 0.261 189 M C 2.297 178.512 176.300 -0.142 0.000 1.066 189 M CA 1.722 56.835 55.300 -0.313 0.000 1.107 189 M CB -1.348 30.819 32.600 -0.723 0.000 1.356 189 M HN 0.302 nan 8.290 nan 0.000 0.406 190 R N -1.055 119.426 120.500 -0.032 0.000 2.159 190 R HA -0.178 4.163 4.340 0.002 0.000 0.237 190 R C 1.175 177.503 176.300 0.046 0.000 1.131 190 R CA 1.138 57.270 56.100 0.053 0.000 0.982 190 R CB -0.411 29.973 30.300 0.140 0.000 0.868 190 R HN 0.500 nan 8.270 nan 0.000 0.453 191 H N -1.203 117.780 119.070 -0.145 0.000 2.517 191 H HA 0.170 4.727 4.556 0.002 0.000 0.282 191 H C -0.371 174.904 175.328 -0.089 0.000 1.023 191 H CA 0.162 56.096 56.048 -0.190 0.000 1.169 191 H CB 0.669 30.126 29.762 -0.509 0.000 1.454 191 H HN -0.078 nan 8.280 nan 0.000 0.556 192 T N 2.663 117.211 114.554 -0.011 0.000 2.767 192 T HA 0.261 4.613 4.350 0.002 0.000 0.288 192 T C -2.534 172.139 174.700 -0.046 0.000 0.963 192 T CA -1.714 60.356 62.100 -0.049 0.000 1.019 192 T CB 1.729 70.527 68.868 -0.117 0.000 0.923 192 T HN -0.015 nan 8.240 nan 0.000 0.468 193 P HA 0.324 nan 4.420 nan 0.000 0.271 193 P C 0.981 178.242 177.300 -0.065 0.000 1.220 193 P CA 0.523 63.602 63.100 -0.034 0.000 0.768 193 P CB 0.577 32.277 31.700 -0.001 0.000 0.848 194 G N 2.655 111.402 108.800 -0.088 0.000 2.176 194 G HA2 -0.180 3.781 3.960 0.002 0.000 0.232 194 G HA3 -0.180 3.781 3.960 0.002 0.000 0.232 194 G C -0.013 174.821 174.900 -0.111 0.000 0.986 194 G CA -0.476 44.562 45.100 -0.104 0.000 0.643 194 G HN 0.473 nan 8.290 nan 0.000 0.522 195 I N 1.302 121.809 120.570 -0.106 0.000 2.474 195 I HA 0.485 4.656 4.170 0.002 0.000 0.294 195 I C -0.218 175.859 176.117 -0.067 0.000 1.005 195 I CA -0.558 60.691 61.300 -0.086 0.000 1.113 195 I CB 2.197 40.121 38.000 -0.125 0.000 1.289 195 I HN -0.003 nan 8.210 nan 0.000 0.436 196 T N 5.241 119.801 114.554 0.009 0.000 2.792 196 T HA 0.445 4.796 4.350 0.002 0.000 0.280 196 T C -0.396 174.385 174.700 0.135 0.000 0.990 196 T CA -0.414 61.710 62.100 0.039 0.000 0.960 196 T CB 1.963 70.854 68.868 0.038 0.000 0.939 196 T HN 0.186 nan 8.240 nan 0.000 0.439 197 V N 4.186 124.168 119.914 0.113 0.000 2.357 197 V HA 0.566 4.687 4.120 0.002 0.000 0.284 197 V C 0.270 176.460 176.094 0.160 0.000 1.018 197 V CA -0.705 61.695 62.300 0.166 0.000 0.841 197 V CB 1.243 33.171 31.823 0.175 0.000 0.991 197 V HN 1.062 nan 8.190 nan 0.000 0.437 198 S N 3.892 119.646 115.700 0.090 0.000 2.704 198 S HA 0.933 5.405 4.470 0.002 0.000 0.305 198 S C -0.191 174.350 174.600 -0.097 0.000 1.107 198 S CA -0.563 57.716 58.200 0.132 0.000 0.993 198 S CB 2.161 65.560 63.200 0.332 0.000 1.110 198 S HN 1.085 nan 8.310 nan 0.000 0.534 199 A N 0.400 123.174 122.820 -0.077 0.000 2.312 199 A HA 0.705 5.026 4.320 0.002 0.000 0.326 199 A C -0.436 176.934 177.584 -0.357 0.000 1.172 199 A CA -0.675 51.254 52.037 -0.179 0.000 0.821 199 A CB 0.132 19.109 19.000 -0.038 0.000 1.166 199 A HN 0.844 nan 8.150 nan 0.000 0.493 200 Y N 0.952 121.087 120.300 -0.275 0.000 2.266 200 Y HA 0.167 4.718 4.550 0.002 0.000 0.294 200 Y C 0.712 176.562 175.900 -0.085 0.000 1.127 200 Y CA 1.111 58.923 58.100 -0.480 0.000 1.140 200 Y CB 0.158 38.346 38.460 -0.453 0.000 1.071 200 Y HN 0.852 nan 8.280 nan 0.000 0.525 201 D N -4.295 116.212 120.400 0.179 0.000 2.838 201 D HA 0.108 4.749 4.640 0.002 0.000 0.334 201 D C 0.676 177.014 176.300 0.064 0.000 1.315 201 D CA 0.141 54.255 54.000 0.190 0.000 0.917 201 D CB 0.171 41.185 40.800 0.357 0.000 1.435 201 D HN -0.058 nan 8.370 nan 0.000 0.517 202 T N -3.200 111.364 114.554 0.016 0.000 2.929 202 T HA -0.062 4.289 4.350 0.002 0.000 0.271 202 T C 0.303 174.930 174.700 -0.122 0.000 1.085 202 T CA 1.296 63.287 62.100 -0.182 0.000 1.125 202 T CB -0.325 68.275 68.868 -0.447 0.000 0.874 202 T HN 0.455 nan 8.240 nan 0.000 0.494 203 D N 0.311 120.677 120.400 -0.057 0.000 2.535 203 D HA 0.223 4.864 4.640 0.002 0.000 0.229 203 D C 0.088 176.146 176.300 -0.404 0.000 1.238 203 D CA -0.206 53.674 54.000 -0.200 0.000 0.824 203 D CB 0.802 41.458 40.800 -0.240 0.000 1.045 203 D HN 0.170 nan 8.370 nan 0.000 0.500 204 R N 0.850 121.218 120.500 -0.220 0.000 2.515 204 R HA 0.371 4.712 4.340 0.002 0.000 0.278 204 R C -1.230 175.017 176.300 -0.089 0.000 1.107 204 R CA -0.435 55.553 56.100 -0.185 0.000 0.945 204 R CB 1.833 32.090 30.300 -0.071 0.000 1.219 204 R HN -0.018 nan 8.270 nan 0.000 0.434 205 N N 0.554 119.145 118.700 -0.181 0.000 2.457 205 N HA 0.378 5.119 4.740 0.002 0.000 0.290 205 N C -1.051 174.129 175.510 -0.549 0.000 1.232 205 N CA -0.725 52.147 53.050 -0.296 0.000 0.852 205 N CB 1.396 39.807 38.487 -0.127 0.000 1.313 205 N HN 0.401 nan 8.380 nan 0.000 0.522 206 N N -0.214 118.078 118.700 -0.679 0.000 2.361 206 N HA 0.389 5.130 4.740 0.002 0.000 0.302 206 N C -1.957 173.246 175.510 -0.511 0.000 1.074 206 N CA -0.427 52.167 53.050 -0.761 0.000 0.850 206 N CB 0.668 38.511 38.487 -1.074 0.000 1.228 206 N HN 0.343 nan 8.380 nan 0.000 0.491 207 Y N 2.149 122.267 120.300 -0.304 0.000 2.326 207 Y HA 0.374 4.925 4.550 0.002 0.000 0.331 207 Y C -0.996 174.774 175.900 -0.216 0.000 0.962 207 Y CA -0.893 57.072 58.100 -0.224 0.000 1.167 207 Y CB 0.383 38.767 38.460 -0.126 0.000 1.148 207 Y HN 0.386 nan 8.280 nan 0.000 0.463 208 Y N 1.420 121.761 120.300 0.068 0.000 2.334 208 Y HA 0.752 5.304 4.550 0.002 0.000 0.328 208 Y C 0.203 176.082 175.900 -0.035 0.000 1.130 208 Y CA -1.135 56.968 58.100 0.005 0.000 1.163 208 Y CB 1.564 39.994 38.460 -0.050 0.000 1.207 208 Y HN 0.658 nan 8.280 nan 0.000 0.471 209 A N 2.464 125.374 122.820 0.151 0.000 2.374 209 A HA 0.691 5.012 4.320 0.002 0.000 0.305 209 A C 0.031 177.647 177.584 0.053 0.000 1.053 209 A CA -1.189 50.866 52.037 0.031 0.000 0.726 209 A CB 0.706 19.680 19.000 -0.043 0.000 1.229 209 A HN 0.951 nan 8.150 nan 0.000 0.431 210 R N 1.170 121.657 120.500 -0.023 0.000 3.627 210 R HA -0.245 4.096 4.340 0.002 0.000 0.281 210 R C 1.053 177.371 176.300 0.029 0.000 1.140 210 R CA 1.349 57.466 56.100 0.028 0.000 0.761 210 R CB -1.928 28.356 30.300 -0.027 0.000 1.181 210 R HN 2.478 nan 8.270 nan 0.000 0.472 211 G N -1.850 106.867 108.800 -0.139 0.000 2.159 211 G HA2 -0.283 3.678 3.960 0.002 0.000 0.227 211 G HA3 -0.283 3.678 3.960 0.002 0.000 0.227 211 G C -0.124 174.390 174.900 -0.645 0.000 0.986 211 G CA 0.011 44.851 45.100 -0.434 0.000 0.651 211 G HN 0.261 nan 8.290 nan 0.000 0.523 212 F N 0.946 120.941 119.950 0.076 0.000 2.565 212 F HA 0.671 5.199 4.527 0.002 0.000 0.313 212 F C 0.593 176.495 175.800 0.169 0.000 1.091 212 F CA -0.890 57.177 58.000 0.113 0.000 0.915 212 F CB 2.154 41.170 39.000 0.025 0.000 1.208 212 F HN -0.024 nan 8.300 nan 0.000 0.453 213 S N 2.984 118.874 115.700 0.317 0.000 2.516 213 S HA 0.337 4.808 4.470 0.002 0.000 0.282 213 S C 0.055 174.707 174.600 0.087 0.000 1.286 213 S CA -0.429 57.828 58.200 0.094 0.000 1.066 213 S CB -0.058 63.161 63.200 0.032 0.000 0.884 213 S HN 0.349 nan 8.310 nan 0.000 0.491 214 I N 3.714 124.299 120.570 0.026 0.000 2.517 214 I HA 0.065 4.236 4.170 0.002 0.000 0.285 214 I C 1.001 177.089 176.117 -0.049 0.000 1.106 214 I CA 0.067 61.339 61.300 -0.047 0.000 1.402 214 I CB 0.225 38.170 38.000 -0.093 0.000 1.399 214 I HN 0.549 nan 8.210 nan 0.000 0.535 215 N N 4.898 123.564 118.700 -0.056 0.000 2.241 215 N HA 0.110 4.851 4.740 0.002 0.000 0.238 215 N C -0.837 174.677 175.510 0.007 0.000 1.244 215 N CA -0.121 52.949 53.050 0.033 0.000 0.880 215 N CB 0.342 38.856 38.487 0.045 0.000 1.179 215 N HN 0.417 nan 8.380 nan 0.000 0.513 216 N N 0.664 119.251 118.700 -0.189 0.000 2.511 216 N HA 0.242 4.983 4.740 0.002 0.000 0.249 216 N C -1.501 173.772 175.510 -0.395 0.000 0.971 216 N CA -0.116 52.812 53.050 -0.203 0.000 0.938 216 N CB 0.444 38.793 38.487 -0.230 0.000 1.131 216 N HN 0.050 nan 8.380 nan 0.000 0.505 217 F N 0.955 120.828 119.950 -0.129 0.000 2.426 217 F HA 0.356 4.884 4.527 0.002 0.000 0.348 217 F C 0.745 176.336 175.800 -0.348 0.000 1.124 217 F CA -0.626 57.227 58.000 -0.245 0.000 1.008 217 F CB 1.658 40.572 39.000 -0.143 0.000 1.139 217 F HN 0.075 nan 8.300 nan 0.000 0.452 218 Q N 2.541 122.122 119.800 -0.366 0.000 2.306 218 Q HA 0.448 4.789 4.340 0.002 0.000 0.265 218 Q C -1.676 173.956 176.000 -0.614 0.000 1.022 218 Q CA -1.000 54.602 55.803 -0.335 0.000 0.853 218 Q CB 2.431 31.035 28.738 -0.225 0.000 1.327 218 Q HN 0.554 nan 8.270 nan 0.000 0.449 219 Y N 1.257 121.552 120.300 -0.010 0.000 2.447 219 Y HA 0.168 4.720 4.550 0.002 0.000 0.325 219 Y C -0.441 175.433 175.900 -0.043 0.000 0.976 219 Y CA -0.748 57.341 58.100 -0.019 0.000 1.280 219 Y CB 1.121 39.586 38.460 0.008 0.000 1.104 219 Y HN 0.678 nan 8.280 nan 0.000 0.486 220 D N 2.722 123.153 120.400 0.051 0.000 2.907 220 D HA -0.172 4.470 4.640 0.002 0.000 0.226 220 D C 1.318 177.626 176.300 0.013 0.000 1.141 220 D CA 1.826 55.840 54.000 0.024 0.000 0.779 220 D CB -1.054 39.735 40.800 -0.019 0.000 1.095 220 D HN 1.075 nan 8.370 nan 0.000 0.430 221 G N -0.981 107.803 108.800 -0.026 0.000 2.179 221 G HA2 -0.304 3.657 3.960 0.002 0.000 0.260 221 G HA3 -0.304 3.657 3.960 0.002 0.000 0.260 221 G C 0.277 175.163 174.900 -0.023 0.000 0.977 221 G CA 0.357 45.431 45.100 -0.044 0.000 0.641 221 G HN 0.467 nan 8.290 nan 0.000 0.533 222 I N 2.022 122.605 120.570 0.021 0.000 2.315 222 I HA 0.358 4.529 4.170 0.002 0.000 0.291 222 I C -2.134 174.020 176.117 0.063 0.000 1.006 222 I CA -3.140 58.195 61.300 0.058 0.000 1.265 222 I CB 0.946 39.005 38.000 0.098 0.000 1.387 222 I HN -0.121 nan 8.210 nan 0.000 0.475 223 P HA 0.212 nan 4.420 nan 0.000 0.286 223 P C -0.394 176.959 177.300 0.088 0.000 1.269 223 P CA -0.283 62.828 63.100 0.020 0.000 0.787 223 P CB 1.039 32.717 31.700 -0.036 0.000 0.920 224 S N 1.496 117.278 115.700 0.136 0.000 2.621 224 S HA 0.561 5.032 4.470 0.002 0.000 0.302 224 S C -0.212 174.458 174.600 0.116 0.000 1.093 224 S CA -0.515 57.784 58.200 0.165 0.000 1.017 224 S CB 0.475 63.837 63.200 0.269 0.000 1.077 224 S HN 0.273 nan 8.310 nan 0.000 0.517 225 T N 1.951 116.563 114.554 0.097 0.000 2.832 225 T HA 0.616 4.967 4.350 0.002 0.000 0.296 225 T C 0.395 175.109 174.700 0.023 0.000 0.968 225 T CA -0.056 62.063 62.100 0.032 0.000 1.107 225 T CB 1.033 69.912 68.868 0.018 0.000 0.916 225 T HN 1.160 nan 8.240 nan 0.000 0.517 226 A N 3.279 126.076 122.820 -0.038 0.000 2.958 226 A HA 0.297 4.618 4.320 0.002 0.000 0.214 226 A C 1.608 179.158 177.584 -0.058 0.000 0.902 226 A CA -0.494 51.540 52.037 -0.006 0.000 1.136 226 A CB 0.034 19.093 19.000 0.099 0.000 1.250 226 A HN 0.787 nan 8.150 nan 0.000 0.497 227 R N 0.822 121.203 120.500 -0.198 0.000 2.159 227 R HA -0.240 4.101 4.340 0.002 0.000 0.252 227 R C 0.567 176.859 176.300 -0.013 0.000 1.144 227 R CA 2.346 58.348 56.100 -0.162 0.000 0.961 227 R CB -0.216 29.851 30.300 -0.389 0.000 0.877 227 R HN 0.912 nan 8.270 nan 0.000 0.444 228 N N -4.398 114.326 118.700 0.040 0.000 3.179 228 N HA -0.013 4.728 4.740 0.002 0.000 0.250 228 N C 0.483 175.965 175.510 -0.047 0.000 1.507 228 N CA -0.122 52.956 53.050 0.047 0.000 0.883 228 N CB 0.746 39.297 38.487 0.107 0.000 1.435 228 N HN -0.223 nan 8.380 nan 0.000 0.532 229 V N -2.940 116.912 119.914 -0.103 0.000 2.828 229 V HA 0.043 4.164 4.120 0.002 0.000 0.260 229 V C 1.859 177.716 176.094 -0.395 0.000 1.101 229 V CA 1.918 64.125 62.300 -0.156 0.000 1.123 229 V CB -1.620 30.167 31.823 -0.060 0.000 0.704 229 V HN 0.814 nan 8.190 nan 0.000 0.493 230 G N -0.827 107.549 108.800 -0.706 0.000 2.394 230 G HA2 -0.172 3.789 3.960 0.002 0.000 0.215 230 G HA3 -0.172 3.789 3.960 0.002 0.000 0.215 230 G C 1.294 175.610 174.900 -0.973 0.000 1.165 230 G CA 0.796 45.100 45.100 -1.328 0.000 0.784 230 G HN 0.587 nan 8.290 nan 0.000 0.535 231 Y N 0.193 120.097 120.300 -0.660 0.000 2.561 231 Y HA 0.242 4.793 4.550 0.002 0.000 0.291 231 Y C 2.661 178.444 175.900 -0.196 0.000 1.141 231 Y CA 0.933 58.854 58.100 -0.298 0.000 1.303 231 Y CB 0.427 38.804 38.460 -0.140 0.000 1.015 231 Y HN 0.263 nan 8.280 nan 0.000 0.547 232 S N -0.637 115.016 115.700 -0.078 0.000 2.666 232 S HA 0.439 4.910 4.470 0.002 0.000 0.239 232 S C 0.703 175.212 174.600 -0.151 0.000 1.031 232 S CA -0.155 57.992 58.200 -0.089 0.000 1.015 232 S CB -0.412 62.747 63.200 -0.069 0.000 0.981 232 S HN 0.249 nan 8.310 nan 0.000 0.547 233 A N 0.609 123.351 122.820 -0.131 0.000 2.615 233 A HA 0.366 4.687 4.320 0.002 0.000 0.240 233 A C 1.647 179.127 177.584 -0.173 0.000 1.003 233 A CA 1.040 53.012 52.037 -0.108 0.000 0.778 233 A CB -0.986 18.008 19.000 -0.011 0.000 0.907 233 A HN 1.449 nan 8.150 nan 0.000 0.507 234 G N 2.233 110.906 108.800 -0.212 0.000 2.245 234 G HA2 -0.349 3.612 3.960 0.002 0.000 0.264 234 G HA3 -0.349 3.612 3.960 0.002 0.000 0.264 234 G C 0.900 175.666 174.900 -0.224 0.000 0.985 234 G CA 0.966 45.944 45.100 -0.203 0.000 0.625 234 G HN 0.842 nan 8.290 nan 0.000 0.536 235 N N 0.027 118.543 118.700 -0.306 0.000 2.348 235 N HA -0.038 4.703 4.740 0.002 0.000 0.185 235 N C 2.138 177.325 175.510 -0.538 0.000 1.019 235 N CA 1.925 54.666 53.050 -0.514 0.000 0.880 235 N CB -0.246 37.756 38.487 -0.810 0.000 0.965 235 N HN 0.600 nan 8.380 nan 0.000 0.437 236 T N -1.442 112.924 114.554 -0.314 0.000 3.107 236 T HA 0.206 4.558 4.350 0.002 0.000 0.249 236 T C 1.005 175.692 174.700 -0.022 0.000 1.096 236 T CA 0.116 62.144 62.100 -0.119 0.000 1.012 236 T CB 0.082 68.821 68.868 -0.215 0.000 0.977 236 T HN 0.082 nan 8.240 nan 0.000 0.527 237 L N 1.130 122.313 121.223 -0.067 0.000 3.016 237 L HA 0.399 4.740 4.340 0.002 0.000 0.267 237 L C 0.386 177.262 176.870 0.011 0.000 1.182 237 L CA -0.382 54.438 54.840 -0.034 0.000 0.997 237 L CB 0.629 42.635 42.059 -0.087 0.000 1.354 237 L HN 0.066 nan 8.230 nan 0.000 0.569 238 S N 0.733 116.463 115.700 0.050 0.000 2.552 238 S HA -0.016 4.456 4.470 0.002 0.000 0.289 238 S C -0.035 174.656 174.600 0.152 0.000 1.304 238 S CA -0.022 58.254 58.200 0.127 0.000 1.063 238 S CB 0.773 64.106 63.200 0.221 0.000 0.848 238 S HN 0.166 nan 8.310 nan 0.000 0.499 239 D N 1.902 122.392 120.400 0.149 0.000 2.225 239 D HA 0.127 4.769 4.640 0.002 0.000 0.248 239 D C 0.665 177.076 176.300 0.185 0.000 1.096 239 D CA -0.568 53.498 54.000 0.111 0.000 0.863 239 D CB 0.737 41.561 40.800 0.040 0.000 1.156 239 D HN 0.264 nan 8.370 nan 0.000 0.450 240 M N 2.984 122.685 119.600 0.169 0.000 2.549 240 M HA -0.055 4.426 4.480 0.002 0.000 0.260 240 M C 1.851 178.235 176.300 0.140 0.000 1.076 240 M CA 0.478 55.914 55.300 0.226 0.000 1.090 240 M CB -1.280 31.393 32.600 0.122 0.000 1.418 240 M HN 0.540 nan 8.290 nan 0.000 0.486 241 A N 0.461 123.313 122.820 0.055 0.000 2.125 241 A HA -0.088 4.233 4.320 0.002 0.000 0.219 241 A C 1.877 179.440 177.584 -0.035 0.000 1.156 241 A CA 1.102 53.158 52.037 0.032 0.000 0.671 241 A CB -0.890 18.131 19.000 0.035 0.000 0.794 241 A HN 0.664 nan 8.150 nan 0.000 0.459 242 I N -5.354 115.066 120.570 -0.249 0.000 3.976 242 I HA 0.379 4.550 4.170 0.002 0.000 0.337 242 I C -0.512 175.259 176.117 -0.577 0.000 1.359 242 I CA -0.647 60.366 61.300 -0.479 0.000 1.098 242 I CB 0.146 37.659 38.000 -0.811 0.000 1.027 242 I HN 0.069 nan 8.210 nan 0.000 0.394 243 Y N 0.520 120.811 120.300 -0.016 0.000 2.509 243 Y HA 0.370 4.921 4.550 0.002 0.000 0.341 243 Y C 0.766 176.680 175.900 0.023 0.000 1.038 243 Y CA -0.995 57.101 58.100 -0.006 0.000 1.089 243 Y CB 1.563 40.017 38.460 -0.009 0.000 1.241 243 Y HN -0.092 nan 8.280 nan 0.000 0.468 244 D N 0.538 121.060 120.400 0.203 0.000 2.216 244 D HA 0.091 4.732 4.640 0.002 0.000 0.208 244 D C 0.044 176.397 176.300 0.087 0.000 0.960 244 D CA 0.641 54.716 54.000 0.124 0.000 0.861 244 D CB 0.557 41.422 40.800 0.107 0.000 0.985 244 D HN 0.622 nan 8.370 nan 0.000 0.493 245 R N -1.885 118.659 120.500 0.073 0.000 2.774 245 R HA 0.457 4.799 4.340 0.002 0.000 0.279 245 R C -2.118 174.150 176.300 -0.053 0.000 1.022 245 R CA -0.956 55.148 56.100 0.007 0.000 0.855 245 R CB 0.875 31.177 30.300 0.003 0.000 1.279 245 R HN -0.155 nan 8.270 nan 0.000 0.485 246 V N 1.233 121.089 119.914 -0.096 0.000 2.487 246 V HA 0.375 4.496 4.120 0.002 0.000 0.298 246 V C -0.501 175.509 176.094 -0.140 0.000 1.028 246 V CA -0.743 61.463 62.300 -0.156 0.000 0.860 246 V CB 1.568 33.278 31.823 -0.187 0.000 0.991 246 V HN 0.713 nan 8.190 nan 0.000 0.427 247 E N 3.647 123.755 120.200 -0.152 0.000 2.156 247 E HA 0.603 4.954 4.350 0.002 0.000 0.279 247 E C -1.276 175.220 176.600 -0.174 0.000 0.965 247 E CA -0.669 55.649 56.400 -0.138 0.000 0.789 247 E CB 2.509 32.137 29.700 -0.119 0.000 1.098 247 E HN 0.406 nan 8.360 nan 0.000 0.397 248 V N 4.290 124.106 119.914 -0.164 0.000 2.350 248 V HA 0.194 4.316 4.120 0.002 0.000 0.285 248 V C -0.715 175.278 176.094 -0.168 0.000 1.014 248 V CA -0.812 61.374 62.300 -0.189 0.000 0.831 248 V CB 1.209 32.918 31.823 -0.191 0.000 1.000 248 V HN 0.511 nan 8.190 nan 0.000 0.433 249 L N 6.728 127.843 121.223 -0.180 0.000 2.275 249 L HA 0.589 4.930 4.340 0.002 0.000 0.288 249 L C -0.167 176.597 176.870 -0.178 0.000 1.046 249 L CA 0.063 54.804 54.840 -0.166 0.000 0.805 249 L CB 0.947 42.907 42.059 -0.165 0.000 1.193 249 L HN 0.550 nan 8.230 nan 0.000 0.426 250 K N 4.586 124.881 120.400 -0.176 0.000 2.244 250 K HA 0.866 5.187 4.320 0.002 0.000 0.260 250 K C -0.045 176.423 176.600 -0.219 0.000 0.951 250 K CA -0.330 55.834 56.287 -0.205 0.000 0.826 250 K CB 1.850 34.212 32.500 -0.230 0.000 1.108 250 K HN 0.899 nan 8.250 nan 0.000 0.433 251 G N 1.326 109.993 108.800 -0.221 0.000 2.181 251 G HA2 0.158 4.119 3.960 0.002 0.000 0.098 251 G HA3 0.158 4.119 3.960 0.002 0.000 0.098 251 G C -1.595 173.183 174.900 -0.204 0.000 1.237 251 G CA -0.296 44.680 45.100 -0.207 0.000 1.238 251 G HN 0.687 nan 8.290 nan 0.000 0.468 252 A N 0.492 123.188 122.820 -0.206 0.000 2.258 252 A HA 0.737 5.058 4.320 0.002 0.000 0.316 252 A C 0.684 178.146 177.584 -0.203 0.000 1.279 252 A CA 0.877 52.776 52.037 -0.229 0.000 0.876 252 A CB 0.769 19.615 19.000 -0.256 0.000 1.170 252 A HN 2.060 nan 8.150 nan 0.000 0.520 253 T N -0.505 113.928 114.554 -0.203 0.000 3.228 253 T HA 0.260 4.611 4.350 0.002 0.000 0.278 253 T C 1.196 175.781 174.700 -0.192 0.000 1.014 253 T CA 0.638 62.631 62.100 -0.179 0.000 0.904 253 T CB 0.146 68.897 68.868 -0.194 0.000 1.110 253 T HN 0.758 nan 8.240 nan 0.000 0.541 254 G N 1.535 110.215 108.800 -0.200 0.000 2.535 254 G HA2 -0.027 3.934 3.960 0.002 0.000 0.218 254 G HA3 -0.027 3.934 3.960 0.002 0.000 0.218 254 G C 1.200 175.975 174.900 -0.208 0.000 1.122 254 G CA 0.690 45.657 45.100 -0.222 0.000 0.769 254 G HN 0.509 nan 8.290 nan 0.000 0.549 255 L N -0.039 121.082 121.223 -0.171 0.000 2.012 255 L HA 0.063 4.404 4.340 0.002 0.000 0.210 255 L C 2.295 178.957 176.870 -0.347 0.000 1.073 255 L CA 1.746 56.462 54.840 -0.205 0.000 0.748 255 L CB -0.174 41.770 42.059 -0.191 0.000 0.891 255 L HN 0.226 nan 8.230 nan 0.000 0.431 256 L N -2.491 118.522 121.223 -0.349 0.000 2.638 256 L HA 0.107 4.448 4.340 0.002 0.000 0.232 256 L C 1.791 178.468 176.870 -0.321 0.000 1.099 256 L CA 0.299 54.874 54.840 -0.441 0.000 0.883 256 L CB -0.147 41.663 42.059 -0.416 0.000 1.136 256 L HN 0.078 nan 8.230 nan 0.000 0.492 257 T N -0.284 114.114 114.554 -0.261 0.000 3.035 257 T HA 0.192 4.544 4.350 0.002 0.000 0.259 257 T C 1.266 175.840 174.700 -0.210 0.000 1.078 257 T CA 0.847 62.816 62.100 -0.218 0.000 1.132 257 T CB 0.103 68.839 68.868 -0.220 0.000 0.900 257 T HN 0.556 nan 8.240 nan 0.000 0.480 258 G N 1.594 110.251 108.800 -0.238 0.000 2.582 258 G HA2 -0.115 3.846 3.960 0.002 0.000 0.288 258 G HA3 -0.115 3.846 3.960 0.002 0.000 0.288 258 G C 0.283 174.941 174.900 -0.403 0.000 1.247 258 G CA -0.369 44.576 45.100 -0.259 0.000 0.972 258 G HN 0.897 nan 8.290 nan 0.000 0.557 259 A N -0.049 122.463 122.820 -0.513 0.000 2.531 259 A HA 0.684 5.005 4.320 0.002 0.000 0.236 259 A C 1.216 178.536 177.584 -0.440 0.000 1.062 259 A CA 1.803 53.397 52.037 -0.739 0.000 0.760 259 A CB -0.084 18.413 19.000 -0.839 0.000 0.995 259 A HN 2.765 nan 8.150 nan 0.000 0.501 260 G N -0.067 108.478 108.800 -0.425 0.000 2.313 260 G HA2 0.554 4.516 3.960 0.002 0.000 0.296 260 G HA3 0.554 4.516 3.960 0.002 0.000 0.296 260 G C -0.391 174.356 174.900 -0.255 0.000 1.356 260 G CA 0.004 44.937 45.100 -0.278 0.000 0.833 260 G HN 1.758 nan 8.290 nan 0.000 0.552 261 S N -0.997 114.583 115.700 -0.200 0.000 2.652 261 S HA 0.774 5.245 4.470 0.002 0.000 0.270 261 S C 0.647 175.081 174.600 -0.277 0.000 1.243 261 S CA -0.616 57.470 58.200 -0.190 0.000 0.999 261 S CB 1.143 64.283 63.200 -0.101 0.000 0.973 261 S HN 0.704 nan 8.310 nan 0.000 0.544 262 L N 1.080 122.043 121.223 -0.433 0.000 2.464 262 L HA 0.543 4.884 4.340 0.002 0.000 0.224 262 L C 1.868 178.527 176.870 -0.352 0.000 1.219 262 L CA 0.901 55.367 54.840 -0.624 0.000 0.831 262 L CB -0.495 40.731 42.059 -1.387 0.000 1.284 262 L HN 1.149 nan 8.230 nan 0.000 0.522 263 G N -0.442 108.207 108.800 -0.253 0.000 5.005 263 G HA2 -0.087 3.874 3.960 0.002 0.000 0.251 263 G HA3 -0.087 3.874 3.960 0.002 0.000 0.251 263 G C -0.154 174.664 174.900 -0.138 0.000 1.536 263 G CA 0.270 45.335 45.100 -0.058 0.000 1.060 263 G HN 1.254 nan 8.290 nan 0.000 0.683 264 A N -1.763 120.962 122.820 -0.159 0.000 2.599 264 A HA 0.828 5.149 4.320 0.002 0.000 0.290 264 A C -0.598 176.846 177.584 -0.233 0.000 1.101 264 A CA 0.900 52.820 52.037 -0.195 0.000 0.674 264 A CB 1.139 20.024 19.000 -0.191 0.000 1.277 264 A HN 1.219 nan 8.150 nan 0.000 0.419 265 T N 0.897 115.303 114.554 -0.247 0.000 2.855 265 T HA 0.618 4.969 4.350 0.002 0.000 0.281 265 T C -0.594 173.913 174.700 -0.322 0.000 1.007 265 T CA -0.049 61.877 62.100 -0.291 0.000 1.009 265 T CB 0.563 69.278 68.868 -0.255 0.000 0.983 265 T HN 0.415 nan 8.240 nan 0.000 0.455 266 I N 3.856 124.167 120.570 -0.430 0.000 2.330 266 I HA 0.383 4.554 4.170 0.002 0.000 0.289 266 I C -0.032 175.854 176.117 -0.384 0.000 1.001 266 I CA -0.733 60.314 61.300 -0.422 0.000 1.193 266 I CB 1.068 38.738 38.000 -0.550 0.000 1.345 266 I HN 0.377 nan 8.210 nan 0.000 0.461 267 N N 7.120 125.632 118.700 -0.313 0.000 2.443 267 N HA 0.504 5.246 4.740 0.002 0.000 0.269 267 N C -1.424 173.913 175.510 -0.289 0.000 0.985 267 N CA -0.439 52.433 53.050 -0.297 0.000 0.921 267 N CB 1.135 39.493 38.487 -0.214 0.000 1.195 267 N HN 0.352 nan 8.380 nan 0.000 0.492 268 L N 4.079 125.081 121.223 -0.367 0.000 2.295 268 L HA 0.522 4.863 4.340 0.002 0.000 0.285 268 L C -0.173 176.612 176.870 -0.141 0.000 1.035 268 L CA -0.437 54.167 54.840 -0.395 0.000 0.806 268 L CB 1.168 42.760 42.059 -0.778 0.000 1.214 268 L HN 0.425 nan 8.230 nan 0.000 0.426 269 I N 3.312 123.872 120.570 -0.016 0.000 2.354 269 I HA 0.386 4.557 4.170 0.002 0.000 0.292 269 I C 0.437 176.721 176.117 0.278 0.000 0.989 269 I CA -0.558 60.806 61.300 0.107 0.000 1.188 269 I CB 1.423 39.458 38.000 0.058 0.000 1.342 269 I HN 0.570 nan 8.210 nan 0.000 0.457 270 R N 4.525 125.177 120.500 0.253 0.000 2.490 270 R HA 0.204 4.545 4.340 0.002 0.000 0.280 270 R C 0.142 176.538 176.300 0.158 0.000 1.077 270 R CA -0.635 55.557 56.100 0.154 0.000 1.065 270 R CB 0.885 31.200 30.300 0.024 0.000 1.003 270 R HN 0.445 nan 8.270 nan 0.000 0.470 271 K N 2.732 123.212 120.400 0.135 0.000 2.586 271 K HA -0.127 4.194 4.320 0.002 0.000 0.280 271 K C -0.054 176.712 176.600 0.276 0.000 0.972 271 K CA 1.056 57.465 56.287 0.203 0.000 1.040 271 K CB 0.307 32.938 32.500 0.218 0.000 0.870 271 K HN 0.344 nan 8.250 nan 0.000 0.497 272 K N 2.703 123.215 120.400 0.187 0.000 2.281 272 K HA 0.382 4.703 4.320 0.002 0.000 0.242 272 K C -2.485 174.169 176.600 0.090 0.000 0.971 272 K CA -2.181 54.200 56.287 0.157 0.000 0.834 272 K CB 1.507 34.094 32.500 0.145 0.000 1.181 272 K HN 0.282 nan 8.250 nan 0.000 0.435 273 P HA 0.036 nan 4.420 nan 0.000 0.272 273 P C -0.874 176.431 177.300 0.008 0.000 1.230 273 P CA -0.259 62.834 63.100 -0.011 0.000 0.788 273 P CB 0.571 32.231 31.700 -0.067 0.000 0.949 274 T N -2.853 111.700 114.554 -0.002 0.000 2.908 274 T HA 0.340 4.691 4.350 0.002 0.000 0.290 274 T C 0.918 175.635 174.700 0.028 0.000 1.034 274 T CA -0.571 61.562 62.100 0.056 0.000 1.010 274 T CB 0.942 69.850 68.868 0.066 0.000 1.068 274 T HN 0.352 nan 8.240 nan 0.000 0.481 275 H N 0.443 119.531 119.070 0.030 0.000 2.462 275 H HA 0.021 4.578 4.556 0.002 0.000 0.292 275 H C 0.954 176.313 175.328 0.052 0.000 1.049 275 H CA 0.981 57.047 56.048 0.031 0.000 1.334 275 H CB 0.482 30.263 29.762 0.031 0.000 1.404 275 H HN 0.701 nan 8.280 nan 0.000 0.544 276 E N 1.009 121.316 120.200 0.180 0.000 2.222 276 E HA 0.020 4.371 4.350 0.002 0.000 0.272 276 E C -0.841 175.857 176.600 0.164 0.000 0.982 276 E CA -1.136 55.361 56.400 0.162 0.000 0.842 276 E CB 0.944 30.733 29.700 0.147 0.000 1.144 276 E HN -0.040 nan 8.360 nan 0.000 0.397 277 F N 2.780 122.766 119.950 0.061 0.000 2.494 277 F HA 0.200 4.729 4.527 0.003 0.000 0.369 277 F C 0.209 176.058 175.800 0.082 0.000 1.098 277 F CA -0.039 57.996 58.000 0.059 0.000 1.154 277 F CB 0.216 39.248 39.000 0.054 0.000 1.103 277 F HN 0.496 nan 8.300 nan 0.000 0.549 278 K N 5.067 125.190 120.400 -0.461 0.000 2.477 278 K HA 0.934 5.255 4.320 0.002 0.000 0.255 278 K C -1.088 175.204 176.600 -0.513 0.000 0.952 278 K CA -0.920 55.124 56.287 -0.404 0.000 0.826 278 K CB 2.193 34.608 32.500 -0.142 0.000 1.331 278 K HN 0.777 nan 8.250 nan 0.000 0.437 279 G N 1.588 110.125 108.800 -0.439 0.000 2.466 279 G HA2 0.421 4.383 3.960 0.002 0.000 0.291 279 G HA3 0.421 4.383 3.960 0.002 0.000 0.291 279 G C -1.947 172.406 174.900 -0.912 0.000 1.460 279 G CA -0.749 44.060 45.100 -0.484 0.000 0.791 279 G HN 0.962 nan 8.290 nan 0.000 0.505 280 H N -2.016 116.562 119.070 -0.820 0.000 3.016 280 H HA 0.750 5.307 4.556 0.002 0.000 0.362 280 H C -1.745 173.312 175.328 -0.452 0.000 1.233 280 H CA -0.935 54.620 56.048 -0.823 0.000 1.124 280 H CB 1.547 31.075 29.762 -0.390 0.000 1.850 280 H HN 0.510 nan 8.280 nan 0.000 0.549 281 V N 1.388 121.171 119.914 -0.218 0.000 2.513 281 V HA 0.316 4.437 4.120 0.002 0.000 0.299 281 V C -0.027 176.190 176.094 0.204 0.000 1.035 281 V CA -0.562 61.764 62.300 0.044 0.000 0.889 281 V CB 1.551 33.481 31.823 0.179 0.000 0.988 281 V HN 0.866 nan 8.190 nan 0.000 0.440 282 E N 3.702 124.025 120.200 0.205 0.000 2.256 282 E HA 0.678 5.029 4.350 0.002 0.000 0.268 282 E C -1.771 174.933 176.600 0.174 0.000 0.877 282 E CA -0.535 55.988 56.400 0.205 0.000 0.757 282 E CB 1.723 31.549 29.700 0.210 0.000 1.183 282 E HN 0.623 nan 8.360 nan 0.000 0.418 283 L N 3.354 124.679 121.223 0.170 0.000 2.346 283 L HA 0.838 5.179 4.340 0.002 0.000 0.276 283 L C 0.150 177.111 176.870 0.152 0.000 1.006 283 L CA -0.829 54.108 54.840 0.161 0.000 0.817 283 L CB 2.105 44.261 42.059 0.163 0.000 1.272 283 L HN 0.680 nan 8.230 nan 0.000 0.421 284 G N 1.570 110.463 108.800 0.155 0.000 2.660 284 G HA2 0.816 4.777 3.960 0.002 0.000 0.294 284 G HA3 0.816 4.777 3.960 0.002 0.000 0.294 284 G C -1.936 173.062 174.900 0.163 0.000 1.369 284 G CA -0.496 44.692 45.100 0.148 0.000 0.912 284 G HN 0.733 nan 8.290 nan 0.000 0.479 285 A N -0.282 122.626 122.820 0.147 0.000 2.437 285 A HA 0.943 5.264 4.320 0.002 0.000 0.293 285 A C -0.027 177.591 177.584 0.058 0.000 1.038 285 A CA 0.120 52.206 52.037 0.082 0.000 0.708 285 A CB 1.599 20.681 19.000 0.138 0.000 1.251 285 A HN 1.950 nan 8.150 nan 0.000 0.409 286 G N -0.078 108.681 108.800 -0.069 0.000 2.766 286 G HA2 0.574 4.536 3.960 0.002 0.000 0.288 286 G HA3 0.574 4.536 3.960 0.002 0.000 0.288 286 G C -0.352 174.455 174.900 -0.156 0.000 1.408 286 G CA -0.449 44.628 45.100 -0.039 0.000 0.852 286 G HN 0.920 nan 8.290 nan 0.000 0.487 287 S N 0.722 116.276 115.700 -0.245 0.000 2.573 287 S HA 0.135 4.606 4.470 0.002 0.000 0.297 287 S C -0.147 174.251 174.600 -0.337 0.000 1.280 287 S CA 0.722 58.570 58.200 -0.586 0.000 1.061 287 S CB -0.316 62.178 63.200 -1.177 0.000 0.812 287 S HN 0.624 nan 8.310 nan 0.000 0.500 288 W N 2.274 123.577 121.300 0.003 0.000 5.447 288 W HA -0.169 4.492 4.660 0.002 0.000 0.421 288 W C -0.189 176.267 176.519 -0.106 0.000 1.665 288 W CA -0.061 57.286 57.345 0.004 0.000 0.941 288 W CB -2.675 26.846 29.460 0.100 0.000 2.889 288 W HN 0.918 nan 8.180 nan 0.000 1.320 289 D N -0.332 119.982 120.400 -0.144 0.000 2.692 289 D HA -0.229 4.412 4.640 0.002 0.000 0.233 289 D C 0.349 176.367 176.300 -0.470 0.000 1.172 289 D CA 1.237 54.984 54.000 -0.423 0.000 0.636 289 D CB -0.915 39.644 40.800 -0.401 0.000 1.028 289 D HN 0.282 nan 8.370 nan 0.000 0.419 290 N N 0.812 119.287 118.700 -0.376 0.000 2.482 290 N HA 0.077 4.818 4.740 0.002 0.000 0.242 290 N C -1.230 174.095 175.510 -0.309 0.000 1.100 290 N CA -0.018 52.908 53.050 -0.208 0.000 0.946 290 N CB 0.072 38.540 38.487 -0.032 0.000 1.227 290 N HN 0.084 nan 8.380 nan 0.000 0.508 291 Y N 1.910 122.219 120.300 0.015 0.000 2.331 291 Y HA 0.415 4.967 4.550 0.002 0.000 0.338 291 Y C 0.755 176.645 175.900 -0.016 0.000 0.992 291 Y CA -0.774 57.331 58.100 0.010 0.000 1.121 291 Y CB 1.207 39.674 38.460 0.012 0.000 1.184 291 Y HN 0.280 nan 8.280 nan 0.000 0.469 292 R N 1.932 122.537 120.500 0.176 0.000 2.628 292 R HA 0.770 5.111 4.340 0.002 0.000 0.288 292 R C -1.286 175.099 176.300 0.142 0.000 0.980 292 R CA -0.553 55.612 56.100 0.108 0.000 0.891 292 R CB 1.372 31.719 30.300 0.079 0.000 1.188 292 R HN 0.768 nan 8.270 nan 0.000 0.450 293 S N 1.997 117.785 115.700 0.147 0.000 2.549 293 S HA 0.517 4.989 4.470 0.002 0.000 0.280 293 S C -1.176 173.505 174.600 0.136 0.000 1.109 293 S CA -0.804 57.492 58.200 0.159 0.000 0.905 293 S CB 2.082 65.394 63.200 0.186 0.000 1.081 293 S HN 0.724 nan 8.310 nan 0.000 0.477 294 E N 1.227 121.497 120.200 0.116 0.000 2.335 294 E HA 0.565 4.916 4.350 0.002 0.000 0.280 294 E C -2.330 174.285 176.600 0.024 0.000 0.918 294 E CA -0.810 55.637 56.400 0.077 0.000 0.765 294 E CB 1.793 31.551 29.700 0.096 0.000 1.218 294 E HN 0.612 nan 8.360 nan 0.000 0.425 295 L N 3.797 125.006 121.223 -0.023 0.000 2.410 295 L HA 0.594 4.935 4.340 0.002 0.000 0.270 295 L C -1.903 174.881 176.870 -0.144 0.000 0.983 295 L CA -0.321 54.471 54.840 -0.079 0.000 0.822 295 L CB 1.903 43.973 42.059 0.018 0.000 1.285 295 L HN 0.552 nan 8.230 nan 0.000 0.409 296 D N 3.910 124.126 120.400 -0.307 0.000 2.575 296 D HA 0.522 5.163 4.640 0.002 0.000 0.250 296 D C -1.663 174.516 176.300 -0.203 0.000 1.279 296 D CA -0.074 53.762 54.000 -0.273 0.000 0.925 296 D CB 1.703 42.221 40.800 -0.471 0.000 1.261 296 D HN 0.287 nan 8.370 nan 0.000 0.567 297 V N 2.044 121.909 119.914 -0.081 0.000 2.628 297 V HA 0.823 4.944 4.120 0.002 0.000 0.306 297 V C 0.016 176.057 176.094 -0.089 0.000 1.045 297 V CA -0.766 61.503 62.300 -0.052 0.000 0.905 297 V CB 1.687 33.539 31.823 0.048 0.000 0.997 297 V HN 0.557 nan 8.190 nan 0.000 0.436 298 S N 1.583 117.184 115.700 -0.166 0.000 2.536 298 S HA 0.935 5.406 4.470 0.002 0.000 0.271 298 S C -0.299 174.270 174.600 -0.051 0.000 1.134 298 S CA 0.360 58.502 58.200 -0.098 0.000 0.897 298 S CB 1.783 64.934 63.200 -0.081 0.000 1.094 298 S HN 1.610 nan 8.310 nan 0.000 0.473 299 G N 2.824 111.645 108.800 0.035 0.000 2.325 299 G HA2 0.465 4.427 3.960 0.002 0.000 0.295 299 G HA3 0.465 4.427 3.960 0.002 0.000 0.295 299 G C -3.535 171.376 174.900 0.018 0.000 1.274 299 G CA -0.611 44.550 45.100 0.102 0.000 0.857 299 G HN 0.557 nan 8.290 nan 0.000 0.499 300 P HA 0.374 nan 4.420 nan 0.000 0.275 300 P C 0.540 177.802 177.300 -0.063 0.000 1.227 300 P CA -0.286 62.777 63.100 -0.061 0.000 0.781 300 P CB 1.617 33.285 31.700 -0.053 0.000 0.906 301 L N 0.945 122.101 121.223 -0.111 0.000 2.316 301 L HA 0.088 4.429 4.340 0.002 0.000 0.207 301 L C 1.336 178.144 176.870 -0.103 0.000 1.070 301 L CA 0.830 55.605 54.840 -0.107 0.000 0.820 301 L CB -0.511 41.465 42.059 -0.139 0.000 0.992 301 L HN 0.415 nan 8.230 nan 0.000 0.466 302 T N -2.683 111.803 114.554 -0.113 0.000 2.922 302 T HA 0.108 4.459 4.350 0.002 0.000 0.285 302 T C 0.973 175.588 174.700 -0.142 0.000 1.005 302 T CA -0.741 61.294 62.100 -0.107 0.000 1.061 302 T CB 1.520 70.337 68.868 -0.085 0.000 1.007 302 T HN 0.162 nan 8.240 nan 0.000 0.502 303 E N 1.303 121.391 120.200 -0.187 0.000 2.418 303 E HA -0.118 4.233 4.350 0.002 0.000 0.197 303 E C 1.654 178.026 176.600 -0.380 0.000 1.026 303 E CA 1.110 57.313 56.400 -0.328 0.000 0.862 303 E CB -0.519 28.903 29.700 -0.464 0.000 0.799 303 E HN 0.728 nan 8.360 nan 0.000 0.518 304 S N -0.247 115.317 115.700 -0.226 0.000 2.458 304 S HA 0.298 4.769 4.470 0.002 0.000 0.223 304 S C 1.746 176.303 174.600 -0.071 0.000 1.019 304 S CA 0.512 58.630 58.200 -0.138 0.000 0.937 304 S CB 0.149 63.309 63.200 -0.066 0.000 0.788 304 S HN 0.487 nan 8.310 nan 0.000 0.511 305 G N 2.793 111.541 108.800 -0.087 0.000 2.176 305 G HA2 -0.312 3.649 3.960 0.002 0.000 0.232 305 G HA3 -0.312 3.649 3.960 0.002 0.000 0.232 305 G C 0.730 175.572 174.900 -0.098 0.000 0.986 305 G CA 0.287 45.337 45.100 -0.082 0.000 0.643 305 G HN 0.626 nan 8.290 nan 0.000 0.522 306 N N 0.213 118.878 118.700 -0.058 0.000 2.364 306 N HA 0.018 4.759 4.740 0.002 0.000 0.183 306 N C 0.673 176.137 175.510 -0.075 0.000 1.022 306 N CA 1.628 54.659 53.050 -0.031 0.000 0.883 306 N CB -0.100 38.394 38.487 0.012 0.000 0.965 306 N HN 0.572 nan 8.380 nan 0.000 0.438 307 V N 0.781 120.608 119.914 -0.146 0.000 2.448 307 V HA 0.446 4.568 4.120 0.002 0.000 0.295 307 V C 0.041 175.956 176.094 -0.299 0.000 1.025 307 V CA -0.800 61.321 62.300 -0.298 0.000 0.859 307 V CB 1.499 33.127 31.823 -0.324 0.000 0.988 307 V HN 0.088 nan 8.190 nan 0.000 0.431 308 R N 1.999 122.294 120.500 -0.343 0.000 2.854 308 R HA 0.877 5.218 4.340 0.002 0.000 0.271 308 R C -0.219 175.929 176.300 -0.252 0.000 0.994 308 R CA -0.636 55.304 56.100 -0.268 0.000 0.945 308 R CB 2.515 32.651 30.300 -0.275 0.000 1.194 308 R HN 0.937 nan 8.270 nan 0.000 0.476 309 G N 0.781 109.477 108.800 -0.173 0.000 2.742 309 G HA2 0.520 4.481 3.960 0.002 0.000 0.296 309 G HA3 0.520 4.481 3.960 0.002 0.000 0.296 309 G C -1.791 173.040 174.900 -0.115 0.000 1.436 309 G CA -0.591 44.413 45.100 -0.159 0.000 0.928 309 G HN 0.424 nan 8.290 nan 0.000 0.520 310 R N 0.243 120.657 120.500 -0.144 0.000 2.686 310 R HA 0.766 5.108 4.340 0.002 0.000 0.283 310 R C -0.889 175.288 176.300 -0.204 0.000 0.978 310 R CA -0.574 55.444 56.100 -0.137 0.000 0.897 310 R CB 2.059 32.299 30.300 -0.101 0.000 1.192 310 R HN 0.919 nan 8.270 nan 0.000 0.457 311 A N 3.044 125.787 122.820 -0.129 0.000 2.371 311 A HA 0.690 5.011 4.320 0.002 0.000 0.311 311 A C -1.423 176.144 177.584 -0.029 0.000 1.068 311 A CA -0.611 51.362 52.037 -0.106 0.000 0.744 311 A CB 1.970 20.936 19.000 -0.056 0.000 1.239 311 A HN 0.401 nan 8.150 nan 0.000 0.435 312 V N 1.269 121.211 119.914 0.047 0.000 2.569 312 V HA 0.728 4.849 4.120 0.002 0.000 0.301 312 V C 0.150 176.328 176.094 0.141 0.000 1.044 312 V CA -0.245 62.112 62.300 0.097 0.000 0.874 312 V CB 1.440 33.370 31.823 0.178 0.000 1.002 312 V HN 1.376 nan 8.190 nan 0.000 0.424 313 A N 3.690 126.575 122.820 0.108 0.000 2.350 313 A HA 1.037 5.358 4.320 0.002 0.000 0.324 313 A C -0.254 177.356 177.584 0.043 0.000 1.118 313 A CA -0.212 51.891 52.037 0.110 0.000 0.783 313 A CB 1.798 20.922 19.000 0.208 0.000 1.236 313 A HN 1.562 nan 8.150 nan 0.000 0.457 314 A N 0.685 123.497 122.820 -0.014 0.000 2.515 314 A HA 0.735 5.056 4.320 0.002 0.000 0.298 314 A C -1.676 175.954 177.584 0.078 0.000 1.059 314 A CA -0.395 51.663 52.037 0.036 0.000 0.698 314 A CB 1.231 20.248 19.000 0.028 0.000 1.289 314 A HN 1.613 nan 8.150 nan 0.000 0.404 315 Y N 0.647 120.936 120.300 -0.018 0.000 2.492 315 Y HA 0.678 5.229 4.550 0.002 0.000 0.346 315 Y C -0.605 175.318 175.900 0.038 0.000 0.997 315 Y CA -0.550 57.546 58.100 -0.007 0.000 1.025 315 Y CB 2.060 40.528 38.460 0.013 0.000 1.263 315 Y HN 0.850 nan 8.280 nan 0.000 0.454 316 Q N 4.207 123.704 119.800 -0.506 0.000 2.315 316 Q HA 0.406 4.747 4.340 0.002 0.000 0.273 316 Q C -2.408 173.266 176.000 -0.543 0.000 1.053 316 Q CA -0.722 54.847 55.803 -0.391 0.000 0.817 316 Q CB 1.924 30.583 28.738 -0.133 0.000 1.326 316 Q HN 0.717 nan 8.270 nan 0.000 0.423 317 D N 3.113 123.323 120.400 -0.317 0.000 2.686 317 D HA 0.320 4.961 4.640 0.002 0.000 0.249 317 D C -1.771 174.559 176.300 0.050 0.000 1.260 317 D CA -0.272 53.638 54.000 -0.151 0.000 0.910 317 D CB 1.132 41.868 40.800 -0.106 0.000 1.323 317 D HN 0.645 nan 8.370 nan 0.000 0.561 318 K N 2.033 122.484 120.400 0.086 0.000 2.498 318 K HA 0.522 4.843 4.320 0.002 0.000 0.254 318 K C -0.856 175.914 176.600 0.283 0.000 0.933 318 K CA -0.679 55.695 56.287 0.145 0.000 0.806 318 K CB 1.927 34.501 32.500 0.124 0.000 1.301 318 K HN 0.167 nan 8.250 nan 0.000 0.432 319 H N 0.366 119.491 119.070 0.091 0.000 2.885 319 H HA 0.552 5.109 4.556 0.002 0.000 0.263 319 H C 0.127 175.546 175.328 0.151 0.000 1.564 319 H CA -0.389 55.715 56.048 0.093 0.000 1.632 319 H CB 1.167 30.994 29.762 0.108 0.000 1.650 319 H HN 0.890 nan 8.280 nan 0.000 0.928 320 S N -0.973 114.850 115.700 0.206 0.000 2.752 320 S HA 0.196 4.667 4.470 0.002 0.000 0.284 320 S C 0.539 174.745 174.600 -0.657 0.000 1.189 320 S CA -0.377 57.740 58.200 -0.137 0.000 0.835 320 S CB -0.006 62.984 63.200 -0.349 0.000 1.192 320 S HN 0.479 nan 8.310 nan 0.000 0.506 321 F N 0.290 119.375 119.950 -1.441 0.000 2.365 321 F HA 0.383 4.911 4.527 0.002 0.000 0.300 321 F C 0.937 176.427 175.800 -0.517 0.000 1.090 321 F CA -0.119 57.065 58.000 -1.361 0.000 1.408 321 F CB -0.711 37.497 39.000 -1.320 0.000 1.060 321 F HN 0.275 nan 8.300 nan 0.000 0.534 322 M N 1.863 120.781 119.600 -1.137 0.000 2.217 322 M HA 0.067 4.548 4.480 0.002 0.000 0.354 322 M C -0.172 175.890 176.300 -0.397 0.000 1.225 322 M CA -0.148 54.745 55.300 -0.678 0.000 1.137 322 M CB 0.381 32.502 32.600 -0.799 0.000 1.576 322 M HN 0.019 nan 8.290 nan 0.000 0.461 323 D N 2.554 122.773 120.400 -0.302 0.000 2.472 323 D HA -0.075 4.566 4.640 0.002 0.000 0.237 323 D C 0.654 176.641 176.300 -0.522 0.000 1.141 323 D CA 0.877 54.748 54.000 -0.215 0.000 0.875 323 D CB 0.442 41.220 40.800 -0.037 0.000 1.192 323 D HN 0.783 nan 8.370 nan 0.000 0.450 324 H N 1.246 120.238 119.070 -0.131 0.000 2.636 324 H HA -0.310 4.247 4.556 0.002 0.000 0.312 324 H C -1.353 173.896 175.328 -0.132 0.000 1.106 324 H CA 0.609 56.558 56.048 -0.166 0.000 1.139 324 H CB -2.662 26.971 29.762 -0.215 0.000 1.423 324 H HN 0.444 nan 8.280 nan 0.000 0.407 325 Y N 1.244 121.311 120.300 -0.389 0.000 2.341 325 Y HA 0.492 5.043 4.550 0.002 0.000 0.338 325 Y C -0.136 175.604 175.900 -0.267 0.000 0.965 325 Y CA -0.515 57.400 58.100 -0.308 0.000 1.108 325 Y CB 1.455 39.712 38.460 -0.339 0.000 1.180 325 Y HN 0.556 nan 8.280 nan 0.000 0.458 326 E N 5.652 125.303 120.200 -0.915 0.000 2.383 326 E HA 0.611 4.962 4.350 0.002 0.000 0.275 326 E C -1.882 174.313 176.600 -0.674 0.000 0.918 326 E CA -1.276 54.748 56.400 -0.626 0.000 0.764 326 E CB 2.196 31.598 29.700 -0.497 0.000 1.252 326 E HN 0.705 nan 8.360 nan 0.000 0.449 327 R N 1.797 122.113 120.500 -0.306 0.000 2.522 327 R HA 0.346 4.687 4.340 0.002 0.000 0.283 327 R C -1.421 174.829 176.300 -0.083 0.000 1.074 327 R CA -0.726 55.256 56.100 -0.196 0.000 0.925 327 R CB 1.460 31.698 30.300 -0.102 0.000 1.205 327 R HN 0.537 nan 8.270 nan 0.000 0.436 328 K N 2.820 123.185 120.400 -0.058 0.000 2.281 328 K HA 0.213 4.534 4.320 0.002 0.000 0.272 328 K C -0.552 176.035 176.600 -0.021 0.000 1.048 328 K CA -0.534 55.728 56.287 -0.043 0.000 0.898 328 K CB 1.886 34.427 32.500 0.069 0.000 1.128 328 K HN 0.583 nan 8.250 nan 0.000 0.460 329 T N -0.443 114.064 114.554 -0.078 0.000 2.823 329 T HA 0.477 4.828 4.350 0.002 0.000 0.279 329 T C -0.387 174.326 174.700 0.023 0.000 0.998 329 T CA -0.590 61.493 62.100 -0.029 0.000 0.994 329 T CB 1.088 69.933 68.868 -0.038 0.000 0.960 329 T HN 0.325 nan 8.240 nan 0.000 0.448 330 S N 2.443 118.167 115.700 0.040 0.000 2.557 330 S HA 0.699 5.170 4.470 0.002 0.000 0.291 330 S C -0.517 173.985 174.600 -0.162 0.000 1.116 330 S CA -0.851 57.355 58.200 0.010 0.000 0.992 330 S CB 1.499 64.730 63.200 0.053 0.000 1.028 330 S HN 1.319 nan 8.310 nan 0.000 0.484 331 V N 1.831 121.588 119.914 -0.262 0.000 2.588 331 V HA 0.819 4.940 4.120 0.002 0.000 0.304 331 V C -2.098 173.804 176.094 -0.319 0.000 1.042 331 V CA -0.596 61.580 62.300 -0.207 0.000 0.877 331 V CB 0.988 32.762 31.823 -0.081 0.000 0.996 331 V HN 0.841 nan 8.190 nan 0.000 0.425 332 Y N 4.854 125.307 120.300 0.255 0.000 2.524 332 Y HA 0.851 5.402 4.550 0.002 0.000 0.344 332 Y C -0.744 175.319 175.900 0.271 0.000 1.012 332 Y CA -0.975 57.255 58.100 0.217 0.000 1.068 332 Y CB 2.158 40.721 38.460 0.172 0.000 1.249 332 Y HN 0.859 nan 8.280 nan 0.000 0.468 333 Y N 0.303 120.731 120.300 0.213 0.000 2.376 333 Y HA 0.657 5.209 4.550 0.002 0.000 0.321 333 Y C -1.222 174.731 175.900 0.089 0.000 1.189 333 Y CA -1.367 56.809 58.100 0.126 0.000 1.069 333 Y CB 1.637 40.131 38.460 0.056 0.000 1.292 333 Y HN 0.769 nan 8.280 nan 0.000 0.430 334 G N 5.913 114.529 108.800 -0.308 0.000 2.662 334 G HA2 0.639 4.601 3.960 0.002 0.000 0.302 334 G HA3 0.639 4.601 3.960 0.002 0.000 0.302 334 G C -2.235 172.389 174.900 -0.460 0.000 1.389 334 G CA -0.797 44.067 45.100 -0.393 0.000 0.998 334 G HN 0.843 nan 8.290 nan 0.000 0.502 335 I N 1.646 121.945 120.570 -0.452 0.000 2.656 335 I HA 0.633 4.804 4.170 0.002 0.000 0.292 335 I C -1.485 174.526 176.117 -0.176 0.000 1.144 335 I CA -1.230 59.908 61.300 -0.269 0.000 1.038 335 I CB 2.028 39.914 38.000 -0.191 0.000 1.244 335 I HN 0.322 nan 8.210 nan 0.000 0.420 336 L N 6.789 127.941 121.223 -0.118 0.000 2.362 336 L HA 0.557 4.898 4.340 0.002 0.000 0.275 336 L C -0.776 176.028 176.870 -0.110 0.000 0.998 336 L CA -0.584 54.152 54.840 -0.173 0.000 0.820 336 L CB 2.019 43.994 42.059 -0.140 0.000 1.270 336 L HN 0.544 nan 8.230 nan 0.000 0.415 337 E N 2.844 122.910 120.200 -0.224 0.000 2.176 337 E HA 0.485 4.836 4.350 0.002 0.000 0.267 337 E C -1.582 174.878 176.600 -0.234 0.000 0.893 337 E CA -0.491 55.848 56.400 -0.102 0.000 0.761 337 E CB 2.114 31.776 29.700 -0.063 0.000 1.133 337 E HN 0.256 nan 8.360 nan 0.000 0.409 338 F N 1.471 121.411 119.950 -0.016 0.000 2.495 338 F HA 0.252 4.780 4.527 0.002 0.000 0.327 338 F C 0.133 175.929 175.800 -0.006 0.000 1.103 338 F CA -0.949 57.039 58.000 -0.019 0.000 0.949 338 F CB 1.488 40.476 39.000 -0.019 0.000 1.142 338 F HN 0.227 nan 8.300 nan 0.000 0.457 339 D N 4.229 124.729 120.400 0.167 0.000 2.380 339 D HA 0.258 4.899 4.640 0.002 0.000 0.230 339 D C 1.107 177.470 176.300 0.105 0.000 1.154 339 D CA 0.106 54.174 54.000 0.114 0.000 0.859 339 D CB 1.262 42.107 40.800 0.075 0.000 1.045 339 D HN 0.465 nan 8.370 nan 0.000 0.495 340 L N 2.273 123.546 121.223 0.082 0.000 2.072 340 L HA -0.098 4.243 4.340 0.002 0.000 0.205 340 L C 0.757 177.647 176.870 0.033 0.000 1.079 340 L CA 1.020 55.885 54.840 0.041 0.000 0.752 340 L CB -0.246 41.818 42.059 0.007 0.000 0.906 340 L HN 0.422 nan 8.230 nan 0.000 0.436 341 N N -3.376 115.350 118.700 0.043 0.000 3.204 341 N HA 0.267 5.009 4.740 0.002 0.000 0.285 341 N C -2.488 173.054 175.510 0.054 0.000 1.536 341 N CA -1.276 51.800 53.050 0.043 0.000 0.832 341 N CB 0.311 38.819 38.487 0.036 0.000 1.645 341 N HN -0.390 nan 8.380 nan 0.000 0.586 342 P HA 0.048 nan 4.420 nan 0.000 0.236 342 P C -0.489 176.840 177.300 0.047 0.000 1.172 342 P CA 1.033 64.162 63.100 0.049 0.000 0.759 342 P CB 0.105 31.829 31.700 0.039 0.000 0.843 343 D N -2.149 118.286 120.400 0.057 0.000 2.500 343 D HA 0.103 4.744 4.640 0.002 0.000 0.218 343 D C -0.103 176.270 176.300 0.121 0.000 1.140 343 D CA 0.635 54.663 54.000 0.046 0.000 0.830 343 D CB 0.916 41.744 40.800 0.046 0.000 1.055 343 D HN 0.079 nan 8.370 nan 0.000 0.512 344 T N 0.758 115.390 114.554 0.130 0.000 2.916 344 T HA 0.483 4.835 4.350 0.002 0.000 0.298 344 T C -0.532 174.219 174.700 0.086 0.000 1.031 344 T CA -0.545 61.637 62.100 0.137 0.000 0.993 344 T CB 2.630 71.535 68.868 0.062 0.000 1.045 344 T HN -0.143 nan 8.240 nan 0.000 0.454 345 M N 3.883 123.534 119.600 0.085 0.000 2.263 345 M HA 0.640 5.121 4.480 0.002 0.000 0.295 345 M C -1.949 174.412 176.300 0.102 0.000 1.028 345 M CA -1.136 54.222 55.300 0.097 0.000 0.921 345 M CB 1.571 34.230 32.600 0.099 0.000 1.601 345 M HN 0.598 nan 8.290 nan 0.000 0.440 346 L N 4.798 126.099 121.223 0.130 0.000 2.317 346 L HA 0.747 5.088 4.340 0.002 0.000 0.281 346 L C -1.220 175.776 176.870 0.211 0.000 1.024 346 L CA 0.416 55.336 54.840 0.132 0.000 0.810 346 L CB 2.110 44.209 42.059 0.067 0.000 1.240 346 L HN 0.716 nan 8.230 nan 0.000 0.427 347 T N 4.923 119.588 114.554 0.185 0.000 2.890 347 T HA 0.565 4.916 4.350 0.002 0.000 0.295 347 T C -0.710 174.074 174.700 0.140 0.000 0.993 347 T CA -0.476 61.741 62.100 0.195 0.000 0.979 347 T CB 1.264 70.264 68.868 0.220 0.000 0.967 347 T HN 0.634 nan 8.240 nan 0.000 0.441 348 V N 0.640 120.606 119.914 0.085 0.000 2.667 348 V HA 1.089 5.210 4.120 0.002 0.000 0.308 348 V C 0.046 175.963 176.094 -0.296 0.000 1.048 348 V CA -0.517 61.725 62.300 -0.097 0.000 0.928 348 V CB 1.466 33.269 31.823 -0.033 0.000 1.004 348 V HN 1.085 nan 8.190 nan 0.000 0.444 349 G N 1.749 110.101 108.800 -0.748 0.000 2.718 349 G HA2 0.905 4.866 3.960 0.002 0.000 0.295 349 G HA3 0.905 4.866 3.960 0.002 0.000 0.295 349 G C -1.097 173.440 174.900 -0.605 0.000 1.421 349 G CA -0.301 44.321 45.100 -0.796 0.000 0.902 349 G HN 1.607 nan 8.290 nan 0.000 0.501 350 A N 0.610 123.357 122.820 -0.122 0.000 2.454 350 A HA 0.932 5.254 4.320 0.002 0.000 0.302 350 A C -1.259 176.533 177.584 0.347 0.000 1.079 350 A CA -0.403 51.697 52.037 0.107 0.000 0.731 350 A CB 2.272 21.312 19.000 0.066 0.000 1.299 350 A HN 1.261 nan 8.150 nan 0.000 0.413 351 D N -1.209 119.411 120.400 0.367 0.000 2.661 351 D HA 0.559 5.200 4.640 0.002 0.000 0.228 351 D C -1.372 175.133 176.300 0.341 0.000 1.210 351 D CA -0.359 53.868 54.000 0.378 0.000 0.826 351 D CB 1.083 42.045 40.800 0.269 0.000 1.542 351 D HN 0.635 nan 8.370 nan 0.000 0.447 352 Y N 0.294 120.704 120.300 0.183 0.000 2.442 352 Y HA 0.479 5.030 4.550 0.002 0.000 0.330 352 Y C -1.901 174.073 175.900 0.123 0.000 1.100 352 Y CA -0.498 57.710 58.100 0.179 0.000 1.034 352 Y CB 2.058 40.677 38.460 0.264 0.000 1.285 352 Y HN 0.627 nan 8.280 nan 0.000 0.440 353 Q N 5.190 124.662 119.800 -0.547 0.000 2.269 353 Q HA 0.295 4.636 4.340 0.002 0.000 0.263 353 Q C -2.264 173.458 176.000 -0.463 0.000 0.983 353 Q CA -0.683 54.863 55.803 -0.429 0.000 0.777 353 Q CB 1.470 30.102 28.738 -0.178 0.000 1.273 353 Q HN 0.712 nan 8.270 nan 0.000 0.440 354 D N 3.297 123.475 120.400 -0.370 0.000 2.414 354 D HA 0.273 4.914 4.640 0.002 0.000 0.232 354 D C -1.135 175.138 176.300 -0.044 0.000 1.070 354 D CA -0.254 53.648 54.000 -0.164 0.000 0.839 354 D CB 0.937 41.695 40.800 -0.069 0.000 1.079 354 D HN 0.535 nan 8.370 nan 0.000 0.521 355 N N 3.167 121.859 118.700 -0.013 0.000 2.469 355 N HA 0.156 4.897 4.740 0.002 0.000 0.253 355 N C -1.102 174.425 175.510 0.029 0.000 0.970 355 N CA -0.456 52.590 53.050 -0.006 0.000 0.940 355 N CB 1.734 40.198 38.487 -0.038 0.000 1.128 355 N HN 0.346 nan 8.380 nan 0.000 0.503 356 D N 3.002 123.417 120.400 0.024 0.000 2.408 356 D HA 0.337 4.979 4.640 0.002 0.000 0.261 356 D C -2.602 173.694 176.300 -0.007 0.000 1.190 356 D CA -1.618 52.404 54.000 0.037 0.000 0.910 356 D CB 1.848 42.674 40.800 0.043 0.000 1.097 356 D HN 0.234 nan 8.370 nan 0.000 0.522 357 P HA 0.530 nan 4.420 nan 0.000 0.288 357 P C -0.946 176.285 177.300 -0.114 0.000 1.297 357 P CA -0.820 62.192 63.100 -0.147 0.000 0.864 357 P CB 1.918 33.552 31.700 -0.110 0.000 1.237 358 K N -0.963 119.278 120.400 -0.265 0.000 2.426 358 K HA 0.534 4.855 4.320 0.002 0.000 0.251 358 K C 0.300 176.822 176.600 -0.131 0.000 0.941 358 K CA -0.444 55.773 56.287 -0.117 0.000 0.808 358 K CB 1.485 33.927 32.500 -0.097 0.000 1.265 358 K HN 0.840 nan 8.250 nan 0.000 0.432 359 G N 1.190 110.014 108.800 0.040 0.000 2.225 359 G HA2 -0.244 3.717 3.960 0.002 0.000 0.264 359 G HA3 -0.244 3.717 3.960 0.002 0.000 0.264 359 G C -0.152 174.916 174.900 0.280 0.000 1.060 359 G CA 0.279 45.466 45.100 0.145 0.000 0.833 359 G HN 0.390 nan 8.290 nan 0.000 0.498 360 S N -0.428 115.427 115.700 0.258 0.000 2.580 360 S HA 0.657 5.128 4.470 0.002 0.000 0.274 360 S C 1.025 175.775 174.600 0.251 0.000 1.329 360 S CA 0.242 58.639 58.200 0.328 0.000 1.036 360 S CB 1.491 64.891 63.200 0.334 0.000 0.919 360 S HN 1.216 nan 8.310 nan 0.000 0.515 361 G N 0.419 109.367 108.800 0.248 0.000 2.521 361 G HA2 0.410 4.371 3.960 0.002 0.000 0.323 361 G HA3 0.410 4.371 3.960 0.002 0.000 0.323 361 G C -0.163 174.966 174.900 0.382 0.000 1.211 361 G CA -0.464 44.805 45.100 0.281 0.000 0.979 361 G HN 0.753 nan 8.290 nan 0.000 0.490 362 W N 0.247 121.666 121.300 0.199 0.000 2.780 362 W HA 0.241 4.903 4.660 0.002 0.000 0.272 362 W C 0.716 177.390 176.519 0.259 0.000 1.116 362 W CA 0.916 58.377 57.345 0.192 0.000 1.600 362 W CB 0.022 29.544 29.460 0.103 0.000 1.086 362 W HN 0.527 nan 8.180 nan 0.000 0.584 363 S N 0.754 116.760 115.700 0.510 0.000 2.652 363 S HA 0.595 5.066 4.470 0.002 0.000 0.252 363 S C 0.024 174.821 174.600 0.329 0.000 1.219 363 S CA 0.065 58.560 58.200 0.492 0.000 1.151 363 S CB 1.113 64.419 63.200 0.177 0.000 1.080 363 S HN 0.727 nan 8.310 nan 0.000 0.481 364 G N 2.754 111.741 108.800 0.312 0.000 2.806 364 G HA2 -0.196 3.766 3.960 0.002 0.000 0.236 364 G HA3 -0.196 3.766 3.960 0.002 0.000 0.236 364 G C 0.519 175.475 174.900 0.093 0.000 1.387 364 G CA -0.158 45.011 45.100 0.115 0.000 0.884 364 G HN 1.164 nan 8.290 nan 0.000 0.560 365 S N -0.550 115.161 115.700 0.017 0.000 2.492 365 S HA 0.481 4.953 4.470 0.002 0.000 0.218 365 S C 0.184 175.071 174.600 0.478 0.000 1.016 365 S CA 1.514 59.845 58.200 0.219 0.000 0.916 365 S CB -0.078 63.301 63.200 0.298 0.000 0.791 365 S HN 1.406 nan 8.310 nan 0.000 0.513 366 F N -0.811 119.283 119.950 0.241 0.000 2.708 366 F HA 0.599 5.127 4.527 0.002 0.000 0.309 366 F C -3.591 172.262 175.800 0.089 0.000 1.120 366 F CA -2.734 55.427 58.000 0.268 0.000 0.978 366 F CB 0.210 39.335 39.000 0.208 0.000 1.283 366 F HN -0.293 nan 8.300 nan 0.000 0.439 367 P HA 0.248 nan 4.420 nan 0.000 0.271 367 P C 0.624 177.913 177.300 -0.018 0.000 1.216 367 P CA -0.282 62.834 63.100 0.026 0.000 0.776 367 P CB 1.207 32.957 31.700 0.084 0.000 0.881 368 L N 0.802 121.833 121.223 -0.320 0.000 2.156 368 L HA 0.019 4.360 4.340 0.002 0.000 0.208 368 L C 0.441 176.948 176.870 -0.605 0.000 1.095 368 L CA 1.267 55.754 54.840 -0.589 0.000 0.770 368 L CB -0.283 41.093 42.059 -1.138 0.000 0.914 368 L HN 0.300 nan 8.230 nan 0.000 0.439 369 F N -0.417 119.489 119.950 -0.074 0.000 2.520 369 F HA 0.259 4.788 4.527 0.002 0.000 0.322 369 F C 0.377 176.080 175.800 -0.161 0.000 1.103 369 F CA -2.162 55.779 58.000 -0.098 0.000 0.926 369 F CB 0.818 39.736 39.000 -0.136 0.000 1.154 369 F HN -0.078 nan 8.300 nan 0.000 0.453 370 D N -0.149 120.264 120.400 0.022 0.000 2.274 370 D HA 0.052 4.693 4.640 0.002 0.000 0.256 370 D C 1.233 177.436 176.300 -0.161 0.000 1.274 370 D CA 0.117 54.048 54.000 -0.115 0.000 0.998 370 D CB -0.018 40.711 40.800 -0.118 0.000 1.139 370 D HN 0.405 nan 8.370 nan 0.000 0.540 371 S N -1.918 113.670 115.700 -0.187 0.000 2.474 371 S HA -0.177 4.295 4.470 0.002 0.000 0.235 371 S C 1.441 175.923 174.600 -0.197 0.000 0.997 371 S CA 0.744 58.792 58.200 -0.254 0.000 0.949 371 S CB -0.502 62.596 63.200 -0.170 0.000 0.766 371 S HN 0.571 nan 8.310 nan 0.000 0.517 372 Q N 0.303 120.018 119.800 -0.140 0.000 2.282 372 Q HA 0.342 4.684 4.340 0.002 0.000 0.206 372 Q C 0.967 176.872 176.000 -0.158 0.000 0.878 372 Q CA 0.177 55.902 55.803 -0.129 0.000 0.944 372 Q CB 0.580 29.268 28.738 -0.084 0.000 1.100 372 Q HN 0.717 nan 8.270 nan 0.000 0.509 373 G N 1.824 110.517 108.800 -0.178 0.000 2.147 373 G HA2 -0.216 3.745 3.960 0.002 0.000 0.244 373 G HA3 -0.216 3.745 3.960 0.002 0.000 0.244 373 G C -0.222 174.618 174.900 -0.101 0.000 1.005 373 G CA -0.103 44.831 45.100 -0.277 0.000 0.713 373 G HN 0.222 nan 8.290 nan 0.000 0.515 374 N N 0.068 118.783 118.700 0.025 0.000 2.515 374 N HA 0.336 5.077 4.740 0.002 0.000 0.279 374 N C 0.705 176.367 175.510 0.252 0.000 1.164 374 N CA -0.424 52.684 53.050 0.096 0.000 0.982 374 N CB 0.593 39.105 38.487 0.043 0.000 1.170 374 N HN 0.320 nan 8.380 nan 0.000 0.474 375 R N 1.282 121.934 120.500 0.252 0.000 2.489 375 R HA 0.079 4.420 4.340 0.002 0.000 0.287 375 R C -0.085 176.286 176.300 0.119 0.000 1.053 375 R CA -0.170 56.063 56.100 0.222 0.000 1.036 375 R CB 0.206 30.629 30.300 0.206 0.000 0.966 375 R HN 0.376 nan 8.270 nan 0.000 0.432 376 N N 2.003 120.750 118.700 0.079 0.000 2.475 376 N HA -0.024 4.717 4.740 0.002 0.000 0.267 376 N C -0.865 174.666 175.510 0.034 0.000 1.169 376 N CA 0.334 53.407 53.050 0.039 0.000 0.947 376 N CB 0.864 39.382 38.487 0.053 0.000 1.061 376 N HN 0.415 nan 8.380 nan 0.000 0.466 377 D N 2.254 122.656 120.400 0.003 0.000 2.460 377 D HA 0.305 4.946 4.640 0.002 0.000 0.232 377 D C -0.765 175.480 176.300 -0.091 0.000 1.079 377 D CA -0.468 53.531 54.000 -0.002 0.000 0.864 377 D CB 0.498 41.323 40.800 0.041 0.000 1.048 377 D HN 0.218 nan 8.370 nan 0.000 0.523 378 V N 0.571 120.347 119.914 -0.230 0.000 3.001 378 V HA 0.679 4.801 4.120 0.002 0.000 0.314 378 V C 0.419 176.452 176.094 -0.101 0.000 1.099 378 V CA -0.905 61.231 62.300 -0.274 0.000 0.989 378 V CB 1.610 33.025 31.823 -0.680 0.000 1.040 378 V HN 0.348 nan 8.190 nan 0.000 0.434 379 S N 1.366 117.060 115.700 -0.010 0.000 2.560 379 S HA 0.149 4.621 4.470 0.002 0.000 0.276 379 S C 1.320 175.944 174.600 0.040 0.000 1.350 379 S CA 0.059 58.269 58.200 0.016 0.000 1.024 379 S CB 0.281 63.526 63.200 0.075 0.000 0.864 379 S HN 0.836 nan 8.310 nan 0.000 0.536 380 R N 1.274 121.636 120.500 -0.231 0.000 2.105 380 R HA -0.112 4.229 4.340 0.002 0.000 0.239 380 R C 2.462 178.916 176.300 0.257 0.000 1.135 380 R CA 1.621 57.510 56.100 -0.351 0.000 0.967 380 R CB -0.507 29.406 30.300 -0.646 0.000 0.861 380 R HN 0.796 nan 8.270 nan 0.000 0.442 381 S N 0.175 115.991 115.700 0.193 0.000 2.547 381 S HA -0.101 4.370 4.470 0.002 0.000 0.235 381 S C 0.590 175.279 174.600 0.149 0.000 0.980 381 S CA 0.045 58.346 58.200 0.167 0.000 0.941 381 S CB -0.404 62.862 63.200 0.109 0.000 0.763 381 S HN 0.199 nan 8.310 nan 0.000 0.532 382 F N 3.494 123.513 119.950 0.114 0.000 2.518 382 F HA 0.446 4.974 4.527 0.002 0.000 0.359 382 F C 0.254 176.160 175.800 0.176 0.000 1.118 382 F CA -0.241 57.832 58.000 0.123 0.000 1.287 382 F CB 0.479 39.513 39.000 0.056 0.000 1.132 382 F HN 0.147 nan 8.300 nan 0.000 0.587 383 N N 4.721 123.144 118.700 -0.462 0.000 2.581 383 N HA 0.101 4.842 4.740 0.002 0.000 0.279 383 N C -0.028 175.474 175.510 -0.014 0.000 1.124 383 N CA -0.715 52.227 53.050 -0.179 0.000 0.833 383 N CB 0.274 38.510 38.487 -0.419 0.000 1.338 383 N HN 0.631 nan 8.380 nan 0.000 0.533 384 N N 1.422 120.231 118.700 0.181 0.000 2.519 384 N HA -0.048 4.693 4.740 0.002 0.000 0.186 384 N C 0.725 176.442 175.510 0.345 0.000 1.062 384 N CA 0.490 53.685 53.050 0.243 0.000 0.910 384 N CB -0.376 38.309 38.487 0.331 0.000 0.958 384 N HN 0.468 nan 8.380 nan 0.000 0.445 385 G N -0.516 108.522 108.800 0.395 0.000 2.539 385 G HA2 0.556 4.517 3.960 0.002 0.000 0.258 385 G HA3 0.556 4.517 3.960 0.002 0.000 0.258 385 G C -0.364 174.757 174.900 0.368 0.000 1.202 385 G CA -0.029 45.269 45.100 0.330 0.000 0.851 385 G HN 0.455 nan 8.290 nan 0.000 0.556 386 A N 0.816 123.642 122.820 0.009 0.000 2.304 386 A HA 0.445 4.766 4.320 0.002 0.000 0.271 386 A C 1.491 178.812 177.584 -0.438 0.000 1.091 386 A CA -0.341 51.468 52.037 -0.379 0.000 0.812 386 A CB 0.660 19.028 19.000 -1.052 0.000 1.056 386 A HN 0.761 nan 8.150 nan 0.000 0.489 387 K N 0.436 120.539 120.400 -0.495 0.000 2.127 387 K HA -0.156 4.166 4.320 0.002 0.000 0.208 387 K C 1.306 177.878 176.600 -0.047 0.000 1.047 387 K CA 2.467 58.613 56.287 -0.235 0.000 0.927 387 K CB -0.145 32.221 32.500 -0.223 0.000 0.716 387 K HN 0.940 nan 8.250 nan 0.000 0.450 388 W N -0.780 120.554 121.300 0.058 0.000 3.211 388 W HA 0.290 4.951 4.660 0.002 0.000 0.292 388 W C 0.179 176.777 176.519 0.131 0.000 1.268 388 W CA -0.578 56.816 57.345 0.082 0.000 1.702 388 W CB -0.380 29.130 29.460 0.083 0.000 1.092 388 W HN -0.165 nan 8.180 nan 0.000 0.643 389 S N 2.273 117.970 115.700 -0.004 0.000 2.533 389 S HA 0.224 4.695 4.470 0.002 0.000 0.282 389 S C -0.162 174.561 174.600 0.206 0.000 1.304 389 S CA 0.318 58.585 58.200 0.112 0.000 1.063 389 S CB 0.697 63.837 63.200 -0.100 0.000 0.881 389 S HN 0.198 nan 8.310 nan 0.000 0.493 390 S N 5.538 121.397 115.700 0.265 0.000 2.720 390 S HA 0.359 4.830 4.470 0.002 0.000 0.278 390 S C -1.483 173.302 174.600 0.308 0.000 1.172 390 S CA -0.616 57.735 58.200 0.252 0.000 1.019 390 S CB 0.514 63.864 63.200 0.249 0.000 1.049 390 S HN 0.817 nan 8.310 nan 0.000 0.483 391 W N 6.364 127.723 121.300 0.099 0.000 1.828 391 W HA 0.380 5.041 4.660 0.002 0.000 0.369 391 W C 0.076 176.661 176.519 0.111 0.000 0.764 391 W CA -1.266 56.126 57.345 0.078 0.000 1.660 391 W CB -0.339 29.134 29.460 0.022 0.000 1.843 391 W HN 0.706 nan 8.180 nan 0.000 0.286 392 E N 3.041 123.498 120.200 0.427 0.000 2.417 392 E HA -0.044 4.307 4.350 0.002 0.000 0.261 392 E C -0.893 175.922 176.600 0.359 0.000 1.000 392 E CA 0.732 57.319 56.400 0.313 0.000 0.919 392 E CB 0.639 30.524 29.700 0.308 0.000 0.955 392 E HN 0.476 nan 8.360 nan 0.000 0.455 393 Q N 3.696 123.608 119.800 0.186 0.000 2.304 393 Q HA 0.315 4.656 4.340 0.002 0.000 0.270 393 Q C -1.288 174.783 176.000 0.119 0.000 1.035 393 Q CA -0.793 55.088 55.803 0.130 0.000 0.781 393 Q CB 1.859 30.542 28.738 -0.092 0.000 1.261 393 Q HN 0.484 nan 8.270 nan 0.000 0.444 394 Y N -1.143 119.158 120.300 0.001 0.000 2.462 394 Y HA 0.838 5.389 4.550 0.002 0.000 0.346 394 Y C -0.637 175.209 175.900 -0.091 0.000 0.976 394 Y CA -0.991 57.057 58.100 -0.087 0.000 1.044 394 Y CB 1.619 40.035 38.460 -0.074 0.000 1.230 394 Y HN 0.469 nan 8.280 nan 0.000 0.455 395 T N 1.395 115.907 114.554 -0.070 0.000 2.908 395 T HA 0.849 5.200 4.350 0.002 0.000 0.290 395 T C -0.897 173.797 174.700 -0.010 0.000 1.034 395 T CA -1.038 60.999 62.100 -0.106 0.000 1.010 395 T CB 2.201 70.976 68.868 -0.155 0.000 1.068 395 T HN 1.137 nan 8.240 nan 0.000 0.481 396 R N -0.080 120.444 120.500 0.040 0.000 2.579 396 R HA 0.615 4.956 4.340 0.002 0.000 0.260 396 R C -1.860 174.502 176.300 0.104 0.000 1.103 396 R CA -0.625 55.565 56.100 0.151 0.000 0.942 396 R CB 1.278 31.793 30.300 0.358 0.000 1.251 396 R HN 0.731 nan 8.270 nan 0.000 0.450 397 T N 2.041 116.690 114.554 0.158 0.000 2.893 397 T HA 0.578 4.929 4.350 0.002 0.000 0.293 397 T C -1.035 173.829 174.700 0.274 0.000 1.027 397 T CA -0.780 61.433 62.100 0.189 0.000 0.988 397 T CB 1.966 70.957 68.868 0.204 0.000 1.043 397 T HN 0.347 nan 8.240 nan 0.000 0.461 398 V N 3.573 123.660 119.914 0.288 0.000 2.531 398 V HA 0.797 4.918 4.120 0.002 0.000 0.301 398 V C -0.857 175.423 176.094 0.311 0.000 1.034 398 V CA -0.987 61.444 62.300 0.218 0.000 0.865 398 V CB 0.877 32.810 31.823 0.184 0.000 0.995 398 V HN 0.928 nan 8.190 nan 0.000 0.424 399 F N 1.930 121.974 119.950 0.157 0.000 2.650 399 F HA 1.040 5.568 4.527 0.002 0.000 0.320 399 F C -0.292 175.585 175.800 0.129 0.000 1.091 399 F CA -1.360 56.730 58.000 0.148 0.000 0.962 399 F CB 1.994 41.089 39.000 0.158 0.000 1.363 399 F HN 0.633 nan 8.300 nan 0.000 0.482 400 A N 1.777 124.804 122.820 0.344 0.000 2.459 400 A HA 0.722 5.043 4.320 0.002 0.000 0.296 400 A C -1.988 175.748 177.584 0.254 0.000 1.039 400 A CA -0.753 51.413 52.037 0.215 0.000 0.698 400 A CB 1.245 20.312 19.000 0.112 0.000 1.261 400 A HN 0.801 nan 8.150 nan 0.000 0.405 401 N N 0.347 119.187 118.700 0.234 0.000 2.314 401 N HA 0.681 5.422 4.740 0.002 0.000 0.294 401 N C -1.312 174.277 175.510 0.132 0.000 1.029 401 N CA -0.348 52.818 53.050 0.194 0.000 0.845 401 N CB 2.213 40.837 38.487 0.229 0.000 1.321 401 N HN 0.613 nan 8.380 nan 0.000 0.481 402 L N 1.564 122.843 121.223 0.093 0.000 2.409 402 L HA 0.562 4.903 4.340 0.002 0.000 0.272 402 L C -0.880 176.022 176.870 0.053 0.000 0.980 402 L CA -0.405 54.474 54.840 0.065 0.000 0.826 402 L CB 1.238 43.318 42.059 0.035 0.000 1.268 402 L HN 0.680 nan 8.230 nan 0.000 0.407 403 E N 2.579 122.815 120.200 0.059 0.000 2.336 403 E HA 0.559 4.910 4.350 0.002 0.000 0.267 403 E C -1.573 175.077 176.600 0.083 0.000 0.906 403 E CA -0.943 55.485 56.400 0.048 0.000 0.781 403 E CB 2.204 31.923 29.700 0.032 0.000 1.261 403 E HN 0.664 nan 8.360 nan 0.000 0.436 404 H N 0.749 119.763 119.070 -0.093 0.000 2.856 404 H HA 0.408 4.965 4.556 0.002 0.000 0.355 404 H C -1.627 173.568 175.328 -0.221 0.000 1.079 404 H CA -0.815 55.108 56.048 -0.208 0.000 1.240 404 H CB 1.531 31.072 29.762 -0.369 0.000 1.701 404 H HN 0.483 nan 8.280 nan 0.000 0.527 405 N N 3.677 121.984 118.700 -0.655 0.000 2.434 405 N HA 0.216 4.957 4.740 0.002 0.000 0.272 405 N C -1.065 173.952 175.510 -0.822 0.000 1.040 405 N CA -0.174 52.586 53.050 -0.483 0.000 0.956 405 N CB 0.323 38.684 38.487 -0.211 0.000 1.108 405 N HN 0.291 nan 8.380 nan 0.000 0.481 406 F N 0.708 120.513 119.950 -0.241 0.000 2.384 406 F HA 0.362 4.890 4.527 0.002 0.000 0.338 406 F C 1.236 177.022 175.800 -0.022 0.000 1.103 406 F CA -1.013 56.921 58.000 -0.110 0.000 1.157 406 F CB 0.888 39.910 39.000 0.036 0.000 1.167 406 F HN 0.458 nan 8.300 nan 0.000 0.529 407 A N 2.704 125.630 122.820 0.175 0.000 3.065 407 A HA 0.134 4.455 4.320 0.002 0.000 0.262 407 A C 0.821 178.485 177.584 0.134 0.000 1.901 407 A CA 0.809 52.916 52.037 0.116 0.000 1.475 407 A CB -1.177 17.881 19.000 0.097 0.000 0.984 407 A HN 0.909 nan 8.150 nan 0.000 0.618 408 N N -1.300 117.498 118.700 0.163 0.000 2.004 408 N HA 0.061 4.802 4.740 0.002 0.000 0.282 408 N C 0.818 176.481 175.510 0.254 0.000 1.294 408 N CA 1.391 54.555 53.050 0.190 0.000 0.738 408 N CB -0.441 38.159 38.487 0.189 0.000 1.528 408 N HN 0.899 nan 8.380 nan 0.000 0.642 409 G N -0.473 108.469 108.800 0.238 0.000 2.195 409 G HA2 -0.228 3.733 3.960 0.002 0.000 0.224 409 G HA3 -0.228 3.733 3.960 0.002 0.000 0.224 409 G C -0.358 174.662 174.900 0.200 0.000 0.990 409 G CA 0.043 45.255 45.100 0.186 0.000 0.639 409 G HN 0.161 nan 8.290 nan 0.000 0.514 410 W N 0.166 121.538 121.300 0.120 0.000 2.313 410 W HA 0.631 5.292 4.660 0.002 0.000 0.328 410 W C 0.497 177.154 176.519 0.230 0.000 1.197 410 W CA 0.048 57.483 57.345 0.150 0.000 1.235 410 W CB 1.476 30.986 29.460 0.084 0.000 1.158 410 W HN 0.554 nan 8.180 nan 0.000 0.578 411 V N 2.339 122.460 119.914 0.345 0.000 2.680 411 V HA 0.974 5.095 4.120 0.002 0.000 0.309 411 V C -0.360 175.929 176.094 0.324 0.000 1.052 411 V CA -0.800 61.671 62.300 0.285 0.000 0.908 411 V CB 1.474 33.363 31.823 0.109 0.000 1.001 411 V HN 0.632 nan 8.190 nan 0.000 0.431 412 G N 3.728 112.717 108.800 0.314 0.000 2.470 412 G HA2 0.616 4.577 3.960 0.002 0.000 0.320 412 G HA3 0.616 4.577 3.960 0.002 0.000 0.320 412 G C -1.214 173.665 174.900 -0.036 0.000 1.245 412 G CA -0.808 44.410 45.100 0.196 0.000 0.935 412 G HN 0.995 nan 8.290 nan 0.000 0.476 413 K N 1.559 121.767 120.400 -0.321 0.000 2.316 413 K HA 0.658 4.979 4.320 0.002 0.000 0.251 413 K C -1.106 175.392 176.600 -0.169 0.000 0.934 413 K CA -0.609 55.496 56.287 -0.302 0.000 0.802 413 K CB 2.380 34.554 32.500 -0.543 0.000 1.171 413 K HN 0.270 nan 8.250 nan 0.000 0.426 414 V N 4.439 124.341 119.914 -0.021 0.000 2.448 414 V HA 0.323 4.444 4.120 0.002 0.000 0.295 414 V C -0.782 175.373 176.094 0.102 0.000 1.025 414 V CA -0.815 61.517 62.300 0.053 0.000 0.859 414 V CB 1.544 33.404 31.823 0.062 0.000 0.988 414 V HN 0.754 nan 8.190 nan 0.000 0.431 415 Q N 4.650 124.536 119.800 0.143 0.000 2.322 415 Q HA 0.643 4.984 4.340 0.002 0.000 0.265 415 Q C -1.389 174.721 176.000 0.183 0.000 0.985 415 Q CA -0.695 55.215 55.803 0.178 0.000 0.849 415 Q CB 3.051 31.903 28.738 0.189 0.000 1.274 415 Q HN 0.554 nan 8.270 nan 0.000 0.449 416 L N 3.064 124.411 121.223 0.207 0.000 2.342 416 L HA 0.361 4.703 4.340 0.002 0.000 0.276 416 L C -1.195 175.830 176.870 0.259 0.000 0.997 416 L CA -0.296 54.666 54.840 0.204 0.000 0.838 416 L CB 1.425 43.581 42.059 0.162 0.000 1.224 416 L HN 0.493 nan 8.230 nan 0.000 0.416 417 D N 1.251 121.801 120.400 0.250 0.000 2.248 417 D HA 0.334 4.975 4.640 0.002 0.000 0.246 417 D C -0.881 175.607 176.300 0.313 0.000 1.027 417 D CA -0.098 54.072 54.000 0.283 0.000 0.853 417 D CB 1.469 42.402 40.800 0.223 0.000 1.243 417 D HN 0.367 nan 8.370 nan 0.000 0.462 418 H N 1.831 121.013 119.070 0.187 0.000 2.860 418 H HA 0.321 4.878 4.556 0.002 0.000 0.312 418 H C -0.944 174.474 175.328 0.150 0.000 0.995 418 H CA -0.631 55.510 56.048 0.155 0.000 1.311 418 H CB 0.923 30.765 29.762 0.134 0.000 1.478 418 H HN 0.176 nan 8.280 nan 0.000 0.508 419 K N 4.962 125.304 120.400 -0.096 0.000 2.166 419 K HA 0.531 4.852 4.320 0.002 0.000 0.245 419 K C -0.892 175.590 176.600 -0.197 0.000 0.967 419 K CA -0.808 55.412 56.287 -0.112 0.000 0.863 419 K CB 1.468 33.955 32.500 -0.023 0.000 1.107 419 K HN 0.531 nan 8.250 nan 0.000 0.436 420 I N 2.650 123.145 120.570 -0.124 0.000 2.512 420 I HA 0.208 4.379 4.170 0.002 0.000 0.287 420 I C -1.419 174.612 176.117 -0.142 0.000 1.069 420 I CA -0.852 60.389 61.300 -0.099 0.000 1.056 420 I CB 2.024 40.021 38.000 -0.005 0.000 1.229 420 I HN 0.562 nan 8.210 nan 0.000 0.429 421 N N 4.355 122.945 118.700 -0.185 0.000 2.569 421 N HA 0.567 5.309 4.740 0.002 0.000 0.254 421 N C -0.324 174.967 175.510 -0.365 0.000 1.004 421 N CA -0.326 52.571 53.050 -0.255 0.000 0.904 421 N CB 2.064 40.464 38.487 -0.145 0.000 1.165 421 N HN 0.720 nan 8.380 nan 0.000 0.513 422 G N 0.601 108.893 108.800 -0.847 0.000 2.568 422 G HA2 0.681 4.642 3.960 0.002 0.000 0.313 422 G HA3 0.681 4.642 3.960 0.002 0.000 0.313 422 G C -1.479 173.176 174.900 -0.408 0.000 1.227 422 G CA -0.524 44.034 45.100 -0.904 0.000 0.979 422 G HN 0.411 nan 8.290 nan 0.000 0.486 423 Y N -1.563 118.709 120.300 -0.047 0.000 2.597 423 Y HA 0.745 5.296 4.550 0.002 0.000 0.340 423 Y C -1.113 174.963 175.900 0.292 0.000 1.097 423 Y CA -1.582 56.633 58.100 0.191 0.000 1.037 423 Y CB 1.913 40.503 38.460 0.216 0.000 1.305 423 Y HN 0.667 nan 8.280 nan 0.000 0.463 424 H N 1.874 121.127 119.070 0.305 0.000 3.177 424 H HA 0.704 5.262 4.556 0.002 0.000 0.314 424 H C -1.896 173.520 175.328 0.146 0.000 1.059 424 H CA -0.341 55.786 56.048 0.132 0.000 1.515 424 H CB 1.305 31.118 29.762 0.085 0.000 1.672 424 H HN 1.120 nan 8.280 nan 0.000 0.514 425 A N 7.129 129.847 122.820 -0.169 0.000 3.030 425 A HA 0.346 4.667 4.320 0.002 0.000 0.335 425 A C -2.936 174.456 177.584 -0.321 0.000 1.089 425 A CA -1.442 50.539 52.037 -0.093 0.000 0.807 425 A CB 0.489 19.410 19.000 -0.132 0.000 1.099 425 A HN 0.373 nan 8.150 nan 0.000 0.474 426 P HA 0.382 nan 4.420 nan 0.000 0.284 426 P C -0.656 176.759 177.300 0.192 0.000 1.343 426 P CA 0.188 63.099 63.100 -0.315 0.000 0.826 426 P CB 0.872 32.455 31.700 -0.195 0.000 0.956 427 L N 3.271 124.568 121.223 0.124 0.000 2.325 427 L HA 0.838 5.179 4.340 0.002 0.000 0.278 427 L C 0.805 177.945 176.870 0.450 0.000 1.023 427 L CA -0.430 54.508 54.840 0.165 0.000 0.811 427 L CB 2.128 44.023 42.059 -0.273 0.000 1.249 427 L HN 0.425 nan 8.230 nan 0.000 0.431 428 G N 1.744 110.695 108.800 0.251 0.000 2.739 428 G HA2 0.746 4.708 3.960 0.002 0.000 0.292 428 G HA3 0.746 4.708 3.960 0.002 0.000 0.292 428 G C -1.647 173.308 174.900 0.091 0.000 1.444 428 G CA -0.098 45.111 45.100 0.183 0.000 1.144 428 G HN 0.829 nan 8.290 nan 0.000 0.550 429 A N 1.820 124.778 122.820 0.230 0.000 2.601 429 A HA 0.765 5.086 4.320 0.002 0.000 0.291 429 A C -1.037 176.624 177.584 0.129 0.000 1.075 429 A CA -0.742 51.420 52.037 0.209 0.000 0.671 429 A CB 0.869 20.036 19.000 0.279 0.000 1.277 429 A HN 0.804 nan 8.150 nan 0.000 0.417 430 I N 2.305 122.888 120.570 0.022 0.000 2.337 430 I HA 0.390 4.561 4.170 0.002 0.000 0.291 430 I C 0.349 176.554 176.117 0.146 0.000 1.046 430 I CA 0.315 61.594 61.300 -0.034 0.000 1.324 430 I CB 0.332 38.230 38.000 -0.170 0.000 1.409 430 I HN 0.736 nan 8.210 nan 0.000 0.494 431 M N 4.707 124.419 119.600 0.186 0.000 2.631 431 M HA 0.926 5.407 4.480 0.002 0.000 0.288 431 M C -0.041 176.445 176.300 0.309 0.000 1.260 431 M CA -0.533 54.884 55.300 0.195 0.000 0.842 431 M CB 2.305 34.915 32.600 0.018 0.000 1.743 431 M HN 0.648 nan 8.290 nan 0.000 0.461 432 G N 0.866 109.719 108.800 0.088 0.000 2.610 432 G HA2 -0.097 3.864 3.960 0.002 0.000 0.304 432 G HA3 -0.097 3.864 3.960 0.002 0.000 0.304 432 G C -1.607 173.066 174.900 -0.377 0.000 1.309 432 G CA -0.623 44.397 45.100 -0.134 0.000 0.906 432 G HN 0.877 nan 8.290 nan 0.000 0.521 433 D N 0.917 120.889 120.400 -0.712 0.000 2.383 433 D HA 0.420 5.062 4.640 0.002 0.000 0.245 433 D C -0.273 175.430 176.300 -0.996 0.000 1.263 433 D CA 0.905 54.513 54.000 -0.653 0.000 0.936 433 D CB -0.086 40.400 40.800 -0.523 0.000 1.053 433 D HN 0.391 nan 8.370 nan 0.000 0.507 434 W N 2.103 123.299 121.300 -0.173 0.000 3.029 434 W HA 0.308 4.969 4.660 0.002 0.000 0.339 434 W C -2.055 174.071 176.519 -0.656 0.000 1.198 434 W CA -1.999 55.151 57.345 -0.326 0.000 1.148 434 W CB 0.902 30.201 29.460 -0.270 0.000 1.451 434 W HN 0.063 nan 8.180 nan 0.000 0.564 435 P HA 0.228 nan 4.420 nan 0.000 0.277 435 P C -0.384 176.979 177.300 0.104 0.000 1.276 435 P CA -0.100 62.903 63.100 -0.162 0.000 0.788 435 P CB 0.327 31.882 31.700 -0.242 0.000 1.114 436 A N 1.010 123.971 122.820 0.235 0.000 2.280 436 A HA 0.370 4.691 4.320 0.002 0.000 0.268 436 A C -1.337 176.285 177.584 0.062 0.000 1.111 436 A CA -1.116 51.016 52.037 0.159 0.000 0.814 436 A CB -1.181 17.945 19.000 0.210 0.000 1.093 436 A HN 0.403 nan 8.150 nan 0.000 0.498 437 P HA -0.099 nan 4.420 nan 0.000 0.225 437 P C 0.094 177.418 177.300 0.039 0.000 1.148 437 P CA 1.347 64.463 63.100 0.027 0.000 0.779 437 P CB -0.088 31.621 31.700 0.016 0.000 0.780 438 D N -1.721 118.710 120.400 0.051 0.000 2.491 438 D HA 0.023 4.664 4.640 0.002 0.000 0.228 438 D C 0.460 176.800 176.300 0.067 0.000 1.183 438 D CA -0.810 53.221 54.000 0.052 0.000 0.827 438 D CB -1.189 39.637 40.800 0.044 0.000 0.989 438 D HN -0.092 nan 8.370 nan 0.000 0.494 439 N N -0.080 118.669 118.700 0.081 0.000 2.778 439 N HA -0.220 4.521 4.740 0.002 0.000 0.249 439 N C -0.838 174.753 175.510 0.135 0.000 1.069 439 N CA 1.098 54.223 53.050 0.125 0.000 0.831 439 N CB -1.380 37.190 38.487 0.138 0.000 1.142 439 N HN 0.480 nan 8.380 nan 0.000 0.573 440 S N -1.470 114.274 115.700 0.075 0.000 2.713 440 S HA 0.940 5.411 4.470 0.002 0.000 0.283 440 S C 0.123 174.666 174.600 -0.095 0.000 1.161 440 S CA -0.098 58.103 58.200 0.002 0.000 0.999 440 S CB 2.552 65.734 63.200 -0.029 0.000 1.039 440 S HN 0.819 nan 8.310 nan 0.000 0.548 441 A N 0.592 123.191 122.820 -0.367 0.000 2.566 441 A HA 0.749 5.070 4.320 0.002 0.000 0.290 441 A C -1.593 175.294 177.584 -1.161 0.000 1.071 441 A CA -1.054 50.437 52.037 -0.910 0.000 0.658 441 A CB 1.093 19.873 19.000 -0.366 0.000 1.285 441 A HN 0.750 nan 8.150 nan 0.000 0.427 442 K N 0.527 119.895 120.400 -1.721 0.000 2.375 442 K HA 0.641 4.962 4.320 0.002 0.000 0.249 442 K C -1.244 175.127 176.600 -0.382 0.000 0.942 442 K CA -0.782 55.011 56.287 -0.823 0.000 0.806 442 K CB 2.005 34.161 32.500 -0.574 0.000 1.227 442 K HN 0.493 nan 8.250 nan 0.000 0.430 443 I N 2.602 123.092 120.570 -0.133 0.000 2.392 443 I HA 0.287 4.458 4.170 0.002 0.000 0.295 443 I C -0.167 176.047 176.117 0.162 0.000 0.985 443 I CA -0.782 60.551 61.300 0.054 0.000 1.221 443 I CB 1.607 39.723 38.000 0.194 0.000 1.366 443 I HN 0.265 nan 8.210 nan 0.000 0.467 444 V N 5.257 125.290 119.914 0.199 0.000 2.448 444 V HA 0.766 4.887 4.120 0.002 0.000 0.295 444 V C 0.075 176.399 176.094 0.383 0.000 1.025 444 V CA -0.609 61.830 62.300 0.232 0.000 0.859 444 V CB 1.640 33.528 31.823 0.109 0.000 0.988 444 V HN 0.882 nan 8.190 nan 0.000 0.431 445 A N 5.013 128.089 122.820 0.427 0.000 2.375 445 A HA 0.866 5.187 4.320 0.002 0.000 0.295 445 A C -0.840 177.090 177.584 0.577 0.000 1.066 445 A CA -0.553 51.802 52.037 0.530 0.000 0.722 445 A CB 1.488 20.703 19.000 0.359 0.000 1.206 445 A HN 0.777 nan 8.150 nan 0.000 0.435 446 Q N 1.088 121.236 119.800 0.580 0.000 2.377 446 Q HA 0.424 4.765 4.340 0.002 0.000 0.279 446 Q C -1.293 174.489 176.000 -0.363 0.000 1.049 446 Q CA -0.804 55.155 55.803 0.260 0.000 0.825 446 Q CB 3.139 32.028 28.738 0.252 0.000 1.401 446 Q HN 0.640 nan 8.270 nan 0.000 0.404 447 K N 2.020 121.978 120.400 -0.736 0.000 2.274 447 K HA 0.445 4.766 4.320 0.002 0.000 0.262 447 K C -1.714 174.364 176.600 -0.869 0.000 0.961 447 K CA -0.431 55.194 56.287 -1.104 0.000 0.833 447 K CB 0.881 32.316 32.500 -1.774 0.000 1.102 447 K HN 0.539 nan 8.250 nan 0.000 0.436 448 Y N 1.375 121.482 120.300 -0.322 0.000 2.328 448 Y HA 0.229 4.780 4.550 0.002 0.000 0.336 448 Y C 0.485 176.359 175.900 -0.042 0.000 0.960 448 Y CA -0.657 57.391 58.100 -0.088 0.000 1.134 448 Y CB 2.008 40.417 38.460 -0.085 0.000 1.166 448 Y HN 0.530 nan 8.280 nan 0.000 0.464 449 T N 0.014 114.604 114.554 0.059 0.000 2.908 449 T HA 0.981 5.333 4.350 0.002 0.000 0.290 449 T C -0.154 174.357 174.700 -0.315 0.000 1.034 449 T CA -0.667 61.312 62.100 -0.202 0.000 1.010 449 T CB 2.081 70.824 68.868 -0.208 0.000 1.068 449 T HN 1.044 nan 8.240 nan 0.000 0.481 450 G N 0.472 108.762 108.800 -0.851 0.000 2.387 450 G HA2 0.499 4.460 3.960 0.002 0.000 0.294 450 G HA3 0.499 4.460 3.960 0.002 0.000 0.294 450 G C -2.134 172.475 174.900 -0.484 0.000 1.509 450 G CA -0.791 44.011 45.100 -0.496 0.000 0.806 450 G HN 0.877 nan 8.290 nan 0.000 0.546 451 E N -0.590 119.562 120.200 -0.080 0.000 2.293 451 E HA 0.645 4.996 4.350 0.002 0.000 0.270 451 E C -1.124 175.509 176.600 0.054 0.000 0.879 451 E CA -0.641 55.730 56.400 -0.049 0.000 0.756 451 E CB 2.199 31.902 29.700 0.004 0.000 1.208 451 E HN 0.356 nan 8.360 nan 0.000 0.428 452 T N 3.624 118.174 114.554 -0.006 0.000 2.791 452 T HA 0.354 4.705 4.350 0.002 0.000 0.288 452 T C -0.645 174.067 174.700 0.021 0.000 0.999 452 T CA -0.716 61.393 62.100 0.016 0.000 0.952 452 T CB 0.832 69.665 68.868 -0.060 0.000 0.938 452 T HN 0.226 nan 8.240 nan 0.000 0.444 453 K N 1.989 122.430 120.400 0.067 0.000 2.156 453 K HA 0.700 5.021 4.320 0.002 0.000 0.271 453 K C -0.443 176.260 176.600 0.171 0.000 0.995 453 K CA -0.695 55.641 56.287 0.082 0.000 0.890 453 K CB 1.325 33.906 32.500 0.135 0.000 1.073 453 K HN 0.407 nan 8.250 nan 0.000 0.454 454 S N 1.747 117.534 115.700 0.144 0.000 2.614 454 S HA 0.308 4.779 4.470 0.002 0.000 0.288 454 S C -1.119 173.633 174.600 0.255 0.000 1.137 454 S CA -0.953 57.374 58.200 0.212 0.000 0.992 454 S CB 1.028 64.329 63.200 0.168 0.000 1.026 454 S HN 0.572 nan 8.310 nan 0.000 0.486 455 N N 0.847 119.735 118.700 0.313 0.000 2.361 455 N HA 0.674 5.415 4.740 0.002 0.000 0.302 455 N C -1.207 174.484 175.510 0.301 0.000 1.074 455 N CA -0.475 52.765 53.050 0.317 0.000 0.850 455 N CB 1.600 40.254 38.487 0.279 0.000 1.228 455 N HN 0.364 nan 8.380 nan 0.000 0.491 456 S N 1.450 117.304 115.700 0.257 0.000 2.575 456 S HA 0.479 4.950 4.470 0.002 0.000 0.278 456 S C -1.585 173.141 174.600 0.209 0.000 1.139 456 S CA -0.529 57.807 58.200 0.226 0.000 0.954 456 S CB 1.284 64.597 63.200 0.188 0.000 1.054 456 S HN 0.344 nan 8.310 nan 0.000 0.483 457 L N 2.781 124.127 121.223 0.204 0.000 2.342 457 L HA 0.828 5.169 4.340 0.002 0.000 0.271 457 L C -1.321 175.657 176.870 0.179 0.000 1.008 457 L CA -0.050 54.900 54.840 0.183 0.000 0.818 457 L CB 1.745 43.913 42.059 0.181 0.000 1.296 457 L HN 0.606 nan 8.230 nan 0.000 0.427 458 D N 3.582 124.092 120.400 0.183 0.000 2.688 458 D HA 0.318 4.960 4.640 0.002 0.000 0.210 458 D C -1.332 175.101 176.300 0.222 0.000 1.333 458 D CA -0.182 53.950 54.000 0.220 0.000 0.920 458 D CB 1.361 42.308 40.800 0.246 0.000 1.554 458 D HN 0.581 nan 8.370 nan 0.000 0.579 459 I N 1.079 121.773 120.570 0.207 0.000 2.562 459 I HA 0.842 5.013 4.170 0.002 0.000 0.301 459 I C -1.460 174.818 176.117 0.267 0.000 1.003 459 I CA -0.769 60.630 61.300 0.166 0.000 1.127 459 I CB 1.867 39.926 38.000 0.099 0.000 1.304 459 I HN 0.245 nan 8.210 nan 0.000 0.446 460 Y N 3.464 123.829 120.300 0.107 0.000 2.544 460 Y HA 0.787 5.338 4.550 0.002 0.000 0.342 460 Y C -2.036 173.949 175.900 0.141 0.000 1.062 460 Y CA -1.487 56.662 58.100 0.081 0.000 1.023 460 Y CB 1.152 39.674 38.460 0.104 0.000 1.308 460 Y HN 0.551 nan 8.280 nan 0.000 0.457 461 L N 3.161 124.569 121.223 0.309 0.000 2.329 461 L HA 0.786 5.127 4.340 0.002 0.000 0.279 461 L C -0.244 176.889 176.870 0.437 0.000 1.014 461 L CA -0.775 54.301 54.840 0.394 0.000 0.814 461 L CB 2.259 44.558 42.059 0.400 0.000 1.257 461 L HN 0.934 nan 8.230 nan 0.000 0.424 462 T N 1.327 116.039 114.554 0.264 0.000 2.916 462 T HA 0.865 5.216 4.350 0.002 0.000 0.298 462 T C -0.532 173.653 174.700 -0.859 0.000 1.031 462 T CA -0.112 61.858 62.100 -0.216 0.000 0.993 462 T CB 1.814 70.684 68.868 0.003 0.000 1.045 462 T HN 0.931 nan 8.240 nan 0.000 0.454 463 G N 3.669 111.443 108.800 -1.710 0.000 2.342 463 G HA2 0.619 4.580 3.960 0.002 0.000 0.297 463 G HA3 0.619 4.580 3.960 0.002 0.000 0.297 463 G C -3.511 170.709 174.900 -1.133 0.000 1.313 463 G CA -0.837 43.115 45.100 -1.913 0.000 0.830 463 G HN 0.669 nan 8.290 nan 0.000 0.506 464 P HA 0.727 nan 4.420 nan 0.000 0.281 464 P C -1.282 176.299 177.300 0.469 0.000 1.264 464 P CA -0.546 62.567 63.100 0.021 0.000 0.824 464 P CB 1.361 33.048 31.700 -0.021 0.000 1.092 465 F N -1.877 118.182 119.950 0.182 0.000 2.645 465 F HA 0.623 5.151 4.527 0.002 0.000 0.310 465 F C -1.228 174.708 175.800 0.227 0.000 1.102 465 F CA -1.434 56.700 58.000 0.223 0.000 0.952 465 F CB 1.256 40.388 39.000 0.219 0.000 1.326 465 F HN 0.347 nan 8.300 nan 0.000 0.456 466 Q N 1.878 121.818 119.800 0.233 0.000 2.293 466 Q HA 0.498 4.839 4.340 0.002 0.000 0.261 466 Q C -1.544 174.702 176.000 0.410 0.000 0.960 466 Q CA -0.539 55.360 55.803 0.160 0.000 0.882 466 Q CB 2.173 30.977 28.738 0.110 0.000 1.275 466 Q HN 0.780 nan 8.270 nan 0.000 0.445 467 F N 3.256 123.365 119.950 0.264 0.000 2.432 467 F HA 0.401 4.930 4.527 0.002 0.000 0.247 467 F C -0.055 175.862 175.800 0.195 0.000 0.972 467 F CA -0.323 57.840 58.000 0.273 0.000 1.083 467 F CB 0.401 39.537 39.000 0.227 0.000 1.285 467 F HN 0.569 nan 8.300 nan 0.000 0.693 468 L N 1.295 122.518 121.223 -0.000 0.000 2.783 468 L HA 0.382 4.723 4.340 0.002 0.000 0.235 468 L C 0.815 177.679 176.870 -0.010 0.000 1.260 468 L CA 0.167 54.913 54.840 -0.156 0.000 1.184 468 L CB 0.025 41.927 42.059 -0.261 0.000 1.472 468 L HN 0.632 nan 8.230 nan 0.000 0.426 469 G N 0.932 109.746 108.800 0.024 0.000 2.225 469 G HA2 -0.278 3.684 3.960 0.002 0.000 0.267 469 G HA3 -0.278 3.684 3.960 0.002 0.000 0.267 469 G C 0.258 175.153 174.900 -0.008 0.000 1.024 469 G CA 0.085 45.194 45.100 0.014 0.000 0.784 469 G HN 0.513 nan 8.290 nan 0.000 0.507 470 R N -1.012 119.477 120.500 -0.019 0.000 2.698 470 R HA 0.538 4.879 4.340 0.002 0.000 0.275 470 R C -1.202 174.780 176.300 -0.529 0.000 1.001 470 R CA -1.109 54.875 56.100 -0.193 0.000 0.896 470 R CB 1.434 31.647 30.300 -0.145 0.000 1.218 470 R HN 0.128 nan 8.270 nan 0.000 0.462 471 E N 1.337 121.215 120.200 -0.536 0.000 2.200 471 E HA 0.229 4.580 4.350 0.002 0.000 0.283 471 E C -0.892 175.224 176.600 -0.805 0.000 1.015 471 E CA 0.084 56.153 56.400 -0.552 0.000 0.819 471 E CB 0.613 30.162 29.700 -0.251 0.000 1.081 471 E HN 0.406 nan 8.360 nan 0.000 0.397 472 H N 1.239 120.052 119.070 -0.430 0.000 3.160 472 H HA 0.609 5.166 4.556 0.002 0.000 0.297 472 H C -0.475 174.617 175.328 -0.393 0.000 1.605 472 H CA -0.993 54.760 56.048 -0.491 0.000 1.418 472 H CB 1.035 30.297 29.762 -0.833 0.000 1.846 472 H HN 0.434 nan 8.280 nan 0.000 0.754 473 E N 0.421 120.523 120.200 -0.163 0.000 2.372 473 E HA 0.482 4.833 4.350 0.002 0.000 0.279 473 E C -1.706 174.885 176.600 -0.014 0.000 0.946 473 E CA -1.008 55.346 56.400 -0.077 0.000 0.769 473 E CB 2.429 32.033 29.700 -0.160 0.000 1.230 473 E HN 0.146 nan 8.360 nan 0.000 0.442 474 L N 1.470 122.680 121.223 -0.021 0.000 2.333 474 L HA 0.612 4.953 4.340 0.002 0.000 0.269 474 L C -1.355 175.460 176.870 -0.092 0.000 1.010 474 L CA -0.931 53.897 54.840 -0.020 0.000 0.818 474 L CB 2.210 44.328 42.059 0.098 0.000 1.306 474 L HN 0.598 nan 8.230 nan 0.000 0.430 475 V N 3.509 123.420 119.914 -0.005 0.000 2.577 475 V HA 0.606 4.728 4.120 0.002 0.000 0.303 475 V C -0.538 175.583 176.094 0.044 0.000 1.042 475 V CA -0.913 61.410 62.300 0.039 0.000 0.872 475 V CB 1.599 33.446 31.823 0.039 0.000 0.998 475 V HN 0.602 nan 8.190 nan 0.000 0.423 476 V N 1.714 121.669 119.914 0.069 0.000 2.459 476 V HA 1.082 5.204 4.120 0.002 0.000 0.295 476 V C 0.170 176.143 176.094 -0.202 0.000 1.029 476 V CA 0.116 62.372 62.300 -0.073 0.000 0.874 476 V CB 1.303 33.111 31.823 -0.024 0.000 0.985 476 V HN 1.126 nan 8.190 nan 0.000 0.438 477 G N 1.961 110.336 108.800 -0.708 0.000 2.659 477 G HA2 0.649 4.610 3.960 0.002 0.000 0.296 477 G HA3 0.649 4.610 3.960 0.002 0.000 0.296 477 G C -1.059 173.416 174.900 -0.708 0.000 1.369 477 G CA -0.531 44.053 45.100 -0.861 0.000 0.937 477 G HN 0.989 nan 8.290 nan 0.000 0.485 478 T N -0.568 113.884 114.554 -0.170 0.000 2.900 478 T HA 0.757 5.108 4.350 0.002 0.000 0.295 478 T C -0.358 174.450 174.700 0.180 0.000 1.044 478 T CA -0.188 61.931 62.100 0.032 0.000 0.995 478 T CB 1.450 70.337 68.868 0.031 0.000 1.072 478 T HN 1.408 nan 8.240 nan 0.000 0.473 479 S N 1.822 117.644 115.700 0.203 0.000 2.564 479 S HA 0.925 5.396 4.470 0.002 0.000 0.274 479 S C -1.155 173.514 174.600 0.114 0.000 1.124 479 S CA -0.740 57.568 58.200 0.180 0.000 0.869 479 S CB 1.759 65.081 63.200 0.204 0.000 1.105 479 S HN 1.125 nan 8.310 nan 0.000 0.472 480 A N 0.768 123.652 122.820 0.106 0.000 2.475 480 A HA 0.916 5.237 4.320 0.002 0.000 0.301 480 A C -0.589 177.020 177.584 0.042 0.000 1.059 480 A CA -0.762 51.298 52.037 0.038 0.000 0.710 480 A CB 1.880 20.963 19.000 0.140 0.000 1.288 480 A HN 1.275 nan 8.150 nan 0.000 0.408 481 S N 0.514 116.125 115.700 -0.148 0.000 2.706 481 S HA 0.640 5.111 4.470 0.002 0.000 0.270 481 S C -1.925 172.535 174.600 -0.234 0.000 1.163 481 S CA -0.302 57.870 58.200 -0.048 0.000 1.042 481 S CB 0.011 63.189 63.200 -0.036 0.000 1.079 481 S HN 0.501 nan 8.310 nan 0.000 0.474 482 F N 3.200 123.201 119.950 0.085 0.000 2.427 482 F HA 0.605 5.133 4.527 0.002 0.000 0.348 482 F C 0.644 176.526 175.800 0.137 0.000 1.125 482 F CA -0.482 57.570 58.000 0.087 0.000 0.989 482 F CB 1.997 41.046 39.000 0.081 0.000 1.165 482 F HN 0.458 nan 8.300 nan 0.000 0.442 483 S N 1.609 117.491 115.700 0.303 0.000 2.570 483 S HA 0.537 5.008 4.470 0.002 0.000 0.286 483 S C -1.434 173.423 174.600 0.428 0.000 1.099 483 S CA -0.739 57.672 58.200 0.351 0.000 0.913 483 S CB 1.889 65.289 63.200 0.333 0.000 1.085 483 S HN 0.820 nan 8.310 nan 0.000 0.480 484 H N 1.056 120.286 119.070 0.267 0.000 2.991 484 H HA 0.310 4.868 4.556 0.002 0.000 0.304 484 H C -1.780 173.660 175.328 0.188 0.000 1.040 484 H CA -0.617 55.560 56.048 0.216 0.000 1.410 484 H CB 0.468 30.331 29.762 0.168 0.000 1.529 484 H HN 0.768 nan 8.280 nan 0.000 0.509 485 W N 6.566 127.835 121.300 -0.052 0.000 2.331 485 W HA 0.300 4.962 4.660 0.002 0.000 0.306 485 W C -1.148 175.265 176.519 -0.176 0.000 1.162 485 W CA -0.700 56.476 57.345 -0.282 0.000 1.232 485 W CB 0.502 29.541 29.460 -0.703 0.000 1.235 485 W HN 0.581 nan 8.180 nan 0.000 0.479 486 E N 3.870 124.013 120.200 -0.095 0.000 2.210 486 E HA 0.637 4.989 4.350 0.002 0.000 0.266 486 E C -0.197 176.315 176.600 -0.147 0.000 0.883 486 E CA -0.741 55.506 56.400 -0.254 0.000 0.761 486 E CB 1.844 31.422 29.700 -0.203 0.000 1.156 486 E HN 0.581 nan 8.360 nan 0.000 0.412 487 G N 2.215 110.869 108.800 -0.244 0.000 2.612 487 G HA2 0.539 4.500 3.960 0.002 0.000 0.298 487 G HA3 0.539 4.500 3.960 0.002 0.000 0.298 487 G C -1.082 173.766 174.900 -0.088 0.000 1.336 487 G CA -0.668 44.418 45.100 -0.023 0.000 0.953 487 G HN 0.251 nan 8.290 nan 0.000 0.482 488 K N 0.493 120.847 120.400 -0.076 0.000 2.259 488 K HA 0.706 5.027 4.320 0.002 0.000 0.252 488 K C -0.748 175.744 176.600 -0.181 0.000 0.936 488 K CA -0.640 55.480 56.287 -0.280 0.000 0.810 488 K CB 2.310 34.634 32.500 -0.293 0.000 1.143 488 K HN 0.418 nan 8.250 nan 0.000 0.427 489 S N 1.200 116.637 115.700 -0.438 0.000 2.566 489 S HA 0.530 5.002 4.470 0.002 0.000 0.298 489 S C -1.423 172.712 174.600 -0.775 0.000 1.083 489 S CA -0.759 57.203 58.200 -0.396 0.000 0.978 489 S CB 0.637 63.650 63.200 -0.313 0.000 1.073 489 S HN 0.368 nan 8.310 nan 0.000 0.491 490 Y N 1.454 121.383 120.300 -0.620 0.000 2.331 490 Y HA 0.467 5.018 4.550 0.002 0.000 0.334 490 Y C -0.018 175.775 175.900 -0.178 0.000 0.960 490 Y CA -1.137 56.695 58.100 -0.447 0.000 1.130 490 Y CB 1.157 39.452 38.460 -0.276 0.000 1.164 490 Y HN 0.971 nan 8.280 nan 0.000 0.458 491 W N 0.483 121.844 121.300 0.101 0.000 1.526 491 W HA 0.380 5.041 4.660 0.002 0.000 0.218 491 W C -1.253 175.326 176.519 0.101 0.000 0.797 491 W CA -0.714 56.703 57.345 0.121 0.000 0.997 491 W CB -0.313 29.204 29.460 0.096 0.000 0.926 491 W HN 0.155 nan 8.180 nan 0.000 0.483 492 N N 3.029 121.927 118.700 0.331 0.000 2.609 492 N HA 0.335 5.077 4.740 0.002 0.000 0.234 492 N C -0.903 174.699 175.510 0.153 0.000 1.001 492 N CA -0.071 53.121 53.050 0.237 0.000 0.926 492 N CB 1.498 40.093 38.487 0.181 0.000 1.130 492 N HN -0.002 nan 8.380 nan 0.000 0.510 493 L N 0.019 121.317 121.223 0.126 0.000 2.357 493 L HA 0.505 4.846 4.340 0.002 0.000 0.273 493 L C 0.917 177.806 176.870 0.031 0.000 1.080 493 L CA -0.725 54.135 54.840 0.033 0.000 0.803 493 L CB 0.697 42.686 42.059 -0.116 0.000 1.174 493 L HN 0.083 nan 8.230 nan 0.000 0.443 494 R N 2.633 123.130 120.500 -0.004 0.000 2.351 494 R HA 0.096 4.437 4.340 0.002 0.000 0.318 494 R C -0.122 176.197 176.300 0.031 0.000 1.055 494 R CA -0.223 55.884 56.100 0.012 0.000 0.968 494 R CB -0.230 30.067 30.300 -0.006 0.000 0.974 494 R HN 0.874 nan 8.270 nan 0.000 0.439 495 N N 3.067 121.796 118.700 0.048 0.000 1.552 495 N HA -0.289 4.452 4.740 0.002 0.000 0.350 495 N C -0.996 174.572 175.510 0.097 0.000 1.219 495 N CA 0.757 53.845 53.050 0.063 0.000 0.832 495 N CB -0.078 38.429 38.487 0.034 0.000 1.073 495 N HN 0.471 nan 8.380 nan 0.000 0.518 496 Y N 1.753 122.027 120.300 -0.043 0.000 2.377 496 Y HA 0.265 4.816 4.550 0.002 0.000 0.339 496 Y C -0.534 175.349 175.900 -0.028 0.000 1.011 496 Y CA -1.676 56.389 58.100 -0.059 0.000 1.093 496 Y CB 1.346 39.754 38.460 -0.086 0.000 1.201 496 Y HN 0.474 nan 8.280 nan 0.000 0.455 497 D N 5.004 125.084 120.400 -0.534 0.000 2.339 497 D HA 0.034 4.675 4.640 0.002 0.000 0.241 497 D C -0.173 175.582 176.300 -0.910 0.000 1.183 497 D CA -0.007 53.686 54.000 -0.511 0.000 0.859 497 D CB 0.580 41.212 40.800 -0.281 0.000 1.067 497 D HN 0.841 nan 8.370 nan 0.000 0.484 498 N N 2.164 120.521 118.700 -0.572 0.000 2.234 498 N HA -0.028 4.713 4.740 0.002 0.000 0.227 498 N C -0.563 174.822 175.510 -0.208 0.000 1.151 498 N CA -0.428 52.381 53.050 -0.401 0.000 0.865 498 N CB 0.472 38.925 38.487 -0.057 0.000 1.066 498 N HN 0.214 nan 8.380 nan 0.000 0.515 499 T N -2.478 111.947 114.554 -0.215 0.000 2.823 499 T HA 0.473 4.824 4.350 0.002 0.000 0.279 499 T C -0.333 174.299 174.700 -0.114 0.000 0.998 499 T CA -0.596 61.388 62.100 -0.193 0.000 0.994 499 T CB 2.195 70.963 68.868 -0.167 0.000 0.960 499 T HN 0.021 nan 8.240 nan 0.000 0.448 500 T N 0.550 115.048 114.554 -0.093 0.000 2.912 500 T HA 0.377 4.728 4.350 0.002 0.000 0.288 500 T C -0.041 174.673 174.700 0.023 0.000 1.030 500 T CA -0.692 61.427 62.100 0.032 0.000 1.020 500 T CB 1.246 70.230 68.868 0.194 0.000 1.056 500 T HN 0.564 nan 8.240 nan 0.000 0.480 501 D N 1.873 122.311 120.400 0.062 0.000 2.340 501 D HA 0.190 4.831 4.640 0.002 0.000 0.220 501 D C -0.287 176.072 176.300 0.098 0.000 1.039 501 D CA 0.447 54.481 54.000 0.057 0.000 0.866 501 D CB 0.360 41.187 40.800 0.043 0.000 0.913 501 D HN 0.492 nan 8.370 nan 0.000 0.523 502 D N -0.662 119.831 120.400 0.154 0.000 2.354 502 D HA 0.003 4.644 4.640 0.002 0.000 0.230 502 D C -0.248 176.223 176.300 0.285 0.000 1.361 502 D CA -0.582 53.533 54.000 0.192 0.000 0.992 502 D CB 0.219 41.109 40.800 0.150 0.000 1.409 502 D HN -0.146 nan 8.370 nan 0.000 0.573 503 F N 3.786 123.824 119.950 0.147 0.000 2.123 503 F HA 0.177 4.705 4.527 0.002 0.000 0.289 503 F C 1.949 177.920 175.800 0.286 0.000 1.099 503 F CA 0.786 58.899 58.000 0.189 0.000 1.234 503 F CB -0.036 39.023 39.000 0.098 0.000 1.034 503 F HN 0.397 nan 8.300 nan 0.000 0.479 504 I N 1.019 121.802 120.570 0.355 0.000 2.229 504 I HA -0.395 3.777 4.170 0.002 0.000 0.250 504 I C 0.814 177.035 176.117 0.172 0.000 1.096 504 I CA 1.589 63.020 61.300 0.220 0.000 1.358 504 I CB -0.523 37.598 38.000 0.201 0.000 1.047 504 I HN 0.294 nan 8.210 nan 0.000 0.422 505 N N -0.480 118.325 118.700 0.175 0.000 2.275 505 N HA -0.007 4.734 4.740 0.002 0.000 0.236 505 N C -0.331 175.259 175.510 0.132 0.000 1.154 505 N CA -0.159 52.974 53.050 0.139 0.000 0.866 505 N CB 0.162 38.708 38.487 0.099 0.000 1.093 505 N HN 0.375 nan 8.380 nan 0.000 0.515 506 W N 2.163 123.426 121.300 -0.062 0.000 2.607 506 W HA -0.056 4.606 4.660 0.002 0.000 0.336 506 W C 0.011 176.389 176.519 -0.235 0.000 1.439 506 W CA 0.345 57.587 57.345 -0.172 0.000 1.346 506 W CB 0.516 29.821 29.460 -0.259 0.000 1.425 506 W HN 0.058 nan 8.180 nan 0.000 0.565 507 D N 3.283 123.309 120.400 -0.623 0.000 2.340 507 D HA 0.123 4.764 4.640 0.002 0.000 0.217 507 D C 1.804 177.246 176.300 -1.430 0.000 1.081 507 D CA 0.840 54.425 54.000 -0.691 0.000 0.842 507 D CB -0.008 40.526 40.800 -0.444 0.000 0.934 507 D HN 0.713 nan 8.370 nan 0.000 0.511 508 G N 1.550 108.930 108.800 -2.366 0.000 2.179 508 G HA2 -0.307 3.654 3.960 0.002 0.000 0.257 508 G HA3 -0.307 3.654 3.960 0.002 0.000 0.257 508 G C 0.076 174.071 174.900 -1.510 0.000 1.010 508 G CA 0.297 43.941 45.100 -2.425 0.000 0.736 508 G HN 0.416 nan 8.290 nan 0.000 0.513 509 D N 0.088 119.780 120.400 -1.179 0.000 2.468 509 D HA 0.630 5.272 4.640 0.002 0.000 0.218 509 D C 0.188 176.334 176.300 -0.256 0.000 1.155 509 D CA -0.182 53.501 54.000 -0.530 0.000 0.924 509 D CB 0.166 40.756 40.800 -0.349 0.000 1.029 509 D HN 0.448 nan 8.370 nan 0.000 0.515 510 I N 1.335 121.858 120.570 -0.079 0.000 2.913 510 I HA 0.514 4.685 4.170 0.002 0.000 0.302 510 I C 0.244 176.594 176.117 0.388 0.000 1.246 510 I CA -0.980 60.419 61.300 0.166 0.000 1.010 510 I CB 1.718 39.896 38.000 0.295 0.000 1.259 510 I HN 0.366 nan 8.210 nan 0.000 0.434 511 G N 4.150 113.146 108.800 0.325 0.000 2.257 511 G HA2 -0.040 3.921 3.960 0.002 0.000 0.235 511 G HA3 -0.040 3.921 3.960 0.002 0.000 0.235 511 G C -0.316 174.834 174.900 0.417 0.000 1.225 511 G CA -0.088 45.206 45.100 0.324 0.000 0.878 511 G HN 0.754 nan 8.290 nan 0.000 0.505 512 K N 2.948 123.265 120.400 -0.139 0.000 2.412 512 K HA 0.218 4.539 4.320 0.002 0.000 0.281 512 K C -1.699 174.472 176.600 -0.715 0.000 1.027 512 K CA -0.907 54.803 56.287 -0.962 0.000 0.989 512 K CB 0.697 32.669 32.500 -0.881 0.000 0.935 512 K HN 0.313 nan 8.250 nan 0.000 0.475 513 P HA 0.135 nan 4.420 nan 0.000 0.283 513 P C -1.321 175.310 177.300 -1.115 0.000 1.271 513 P CA -0.562 61.808 63.100 -1.216 0.000 0.841 513 P CB 0.859 31.423 31.700 -1.895 0.000 1.122 514 D N 0.286 120.292 120.400 -0.657 0.000 2.316 514 D HA 0.091 4.732 4.640 0.002 0.000 0.245 514 D C 0.217 176.276 176.300 -0.400 0.000 1.171 514 D CA -0.223 53.529 54.000 -0.414 0.000 0.856 514 D CB 0.151 40.839 40.800 -0.186 0.000 1.090 514 D HN 0.260 nan 8.370 nan 0.000 0.476 515 W N 3.630 124.819 121.300 -0.185 0.000 2.658 515 W HA 0.239 4.900 4.660 0.002 0.000 0.263 515 W C 1.709 178.250 176.519 0.036 0.000 1.274 515 W CA 0.511 57.777 57.345 -0.132 0.000 1.343 515 W CB -0.108 29.169 29.460 -0.305 0.000 1.106 515 W HN 0.749 nan 8.180 nan 0.000 0.615 516 G N 0.341 109.267 108.800 0.210 0.000 2.584 516 G HA2 -0.236 3.725 3.960 0.002 0.000 0.229 516 G HA3 -0.236 3.725 3.960 0.002 0.000 0.229 516 G C 0.104 175.135 174.900 0.220 0.000 1.320 516 G CA -0.331 44.867 45.100 0.162 0.000 0.891 516 G HN 0.267 nan 8.290 nan 0.000 0.573 517 T N 0.019 114.623 114.554 0.084 0.000 2.904 517 T HA 0.613 4.964 4.350 0.002 0.000 0.290 517 T C -2.170 172.340 174.700 -0.317 0.000 1.018 517 T CA -0.603 61.484 62.100 -0.021 0.000 1.075 517 T CB 1.427 70.268 68.868 -0.043 0.000 0.986 517 T HN 0.554 nan 8.240 nan 0.000 0.523 518 P HA 0.182 nan 4.420 nan 0.000 0.267 518 P C 0.176 176.957 177.300 -0.864 0.000 1.200 518 P CA -0.221 62.068 63.100 -1.353 0.000 0.772 518 P CB 0.438 31.317 31.700 -1.368 0.000 0.855 519 S N -0.068 115.042 115.700 -0.985 0.000 2.523 519 S HA 0.091 4.562 4.470 0.002 0.000 0.217 519 S C 0.402 174.599 174.600 -0.673 0.000 0.996 519 S CA 0.110 57.839 58.200 -0.784 0.000 0.921 519 S CB 0.131 62.557 63.200 -1.290 0.000 0.829 519 S HN 0.534 nan 8.310 nan 0.000 0.495 520 Q N -0.326 118.999 119.800 -0.792 0.000 2.377 520 Q HA 0.492 4.833 4.340 0.002 0.000 0.279 520 Q C -2.237 173.434 176.000 -0.549 0.000 1.049 520 Q CA -0.623 54.897 55.803 -0.472 0.000 0.825 520 Q CB 1.755 30.236 28.738 -0.429 0.000 1.401 520 Q HN 0.314 nan 8.270 nan 0.000 0.404 521 Y N 2.364 122.547 120.300 -0.196 0.000 2.331 521 Y HA 0.438 4.989 4.550 0.002 0.000 0.326 521 Y C -0.287 175.497 175.900 -0.193 0.000 1.020 521 Y CA -0.745 57.243 58.100 -0.186 0.000 1.136 521 Y CB 1.371 39.741 38.460 -0.151 0.000 1.157 521 Y HN 0.413 nan 8.280 nan 0.000 0.444 522 I N 2.942 123.421 120.570 -0.153 0.000 2.428 522 I HA 0.341 4.513 4.170 0.002 0.000 0.296 522 I C -0.675 175.254 176.117 -0.313 0.000 0.985 522 I CA -0.368 60.717 61.300 -0.358 0.000 1.260 522 I CB 1.770 39.257 38.000 -0.856 0.000 1.389 522 I HN 0.594 nan 8.210 nan 0.000 0.484 523 D N 3.829 124.089 120.400 -0.234 0.000 2.470 523 D HA 0.364 5.005 4.640 0.002 0.000 0.233 523 D C -1.618 174.669 176.300 -0.021 0.000 1.372 523 D CA -0.179 53.774 54.000 -0.079 0.000 0.994 523 D CB 1.256 42.068 40.800 0.021 0.000 1.377 523 D HN 0.485 nan 8.370 nan 0.000 0.586 524 D N 1.911 122.338 120.400 0.045 0.000 2.879 524 D HA 0.461 5.102 4.640 0.002 0.000 0.236 524 D C -1.124 175.371 176.300 0.326 0.000 1.171 524 D CA -0.420 53.689 54.000 0.181 0.000 0.868 524 D CB 1.541 42.500 40.800 0.264 0.000 1.598 524 D HN 0.022 nan 8.370 nan 0.000 0.497 525 K N 1.298 121.863 120.400 0.274 0.000 2.345 525 K HA 0.598 4.919 4.320 0.002 0.000 0.255 525 K C -1.170 175.555 176.600 0.209 0.000 0.934 525 K CA -0.668 55.773 56.287 0.256 0.000 0.801 525 K CB 2.031 34.593 32.500 0.104 0.000 1.137 525 K HN 0.238 nan 8.250 nan 0.000 0.424 526 T N 3.025 117.707 114.554 0.213 0.000 2.788 526 T HA 0.281 4.632 4.350 0.002 0.000 0.296 526 T C -0.778 173.849 174.700 -0.123 0.000 1.009 526 T CA -0.682 61.391 62.100 -0.045 0.000 0.949 526 T CB 0.616 69.398 68.868 -0.143 0.000 0.946 526 T HN 0.269 nan 8.240 nan 0.000 0.453 527 R N 3.268 123.613 120.500 -0.258 0.000 2.445 527 R HA 0.429 4.771 4.340 0.002 0.000 0.308 527 R C -1.101 174.928 176.300 -0.453 0.000 0.961 527 R CA -0.543 55.326 56.100 -0.384 0.000 0.862 527 R CB 1.465 31.537 30.300 -0.381 0.000 1.144 527 R HN 0.730 nan 8.270 nan 0.000 0.447 528 Q N 5.572 125.127 119.800 -0.408 0.000 2.292 528 Q HA 0.369 4.710 4.340 0.002 0.000 0.270 528 Q C -1.173 174.724 176.000 -0.172 0.000 1.024 528 Q CA -0.611 55.052 55.803 -0.233 0.000 0.768 528 Q CB 1.612 30.289 28.738 -0.103 0.000 1.250 528 Q HN 0.613 nan 8.270 nan 0.000 0.447 529 L N 1.927 123.096 121.223 -0.089 0.000 2.416 529 L HA 0.879 5.221 4.340 0.002 0.000 0.262 529 L C 0.445 177.346 176.870 0.051 0.000 1.093 529 L CA -0.698 54.131 54.840 -0.019 0.000 0.801 529 L CB 1.563 43.622 42.059 0.001 0.000 1.191 529 L HN 0.797 nan 8.230 nan 0.000 0.459 530 G N -0.257 108.599 108.800 0.093 0.000 2.759 530 G HA2 0.579 4.541 3.960 0.002 0.000 0.297 530 G HA3 0.579 4.541 3.960 0.002 0.000 0.297 530 G C -1.705 173.318 174.900 0.205 0.000 1.434 530 G CA -0.267 44.922 45.100 0.147 0.000 0.980 530 G HN 0.418 nan 8.290 nan 0.000 0.531 531 S N -0.210 115.618 115.700 0.215 0.000 2.547 531 S HA 0.790 5.261 4.470 0.002 0.000 0.281 531 S C -1.498 173.241 174.600 0.231 0.000 1.118 531 S CA -0.574 57.720 58.200 0.156 0.000 0.947 531 S CB 1.333 64.581 63.200 0.079 0.000 1.053 531 S HN 0.931 nan 8.310 nan 0.000 0.482 532 Y N -0.311 120.017 120.300 0.047 0.000 2.479 532 Y HA 0.833 5.384 4.550 0.002 0.000 0.338 532 Y C -1.283 174.640 175.900 0.039 0.000 1.055 532 Y CA -1.422 56.696 58.100 0.029 0.000 1.023 532 Y CB 0.672 39.116 38.460 -0.026 0.000 1.287 532 Y HN 0.451 nan 8.280 nan 0.000 0.447 533 M N 3.114 122.784 119.600 0.116 0.000 2.383 533 M HA 0.715 5.196 4.480 0.002 0.000 0.325 533 M C -1.042 175.329 176.300 0.118 0.000 1.092 533 M CA -0.307 55.035 55.300 0.070 0.000 0.961 533 M CB 2.666 35.303 32.600 0.061 0.000 1.672 533 M HN 0.782 nan 8.290 nan 0.000 0.438 534 T N 1.893 116.497 114.554 0.084 0.000 2.937 534 T HA 0.775 5.126 4.350 0.002 0.000 0.297 534 T C -1.108 173.621 174.700 0.049 0.000 0.991 534 T CA -0.761 61.386 62.100 0.078 0.000 0.990 534 T CB 1.438 70.315 68.868 0.014 0.000 0.991 534 T HN 0.716 nan 8.240 nan 0.000 0.440 535 A N 2.942 125.800 122.820 0.064 0.000 2.340 535 A HA 0.863 5.185 4.320 0.002 0.000 0.331 535 A C -0.132 177.352 177.584 -0.167 0.000 1.140 535 A CA -0.887 51.092 52.037 -0.098 0.000 0.801 535 A CB 1.090 19.932 19.000 -0.263 0.000 1.234 535 A HN 0.754 nan 8.150 nan 0.000 0.469 536 R N 2.327 122.603 120.500 -0.374 0.000 2.358 536 R HA 0.453 4.794 4.340 0.002 0.000 0.309 536 R C -1.842 174.238 176.300 -0.366 0.000 1.026 536 R CA -0.325 55.429 56.100 -0.577 0.000 0.909 536 R CB 0.244 30.054 30.300 -0.817 0.000 1.153 536 R HN 0.586 nan 8.270 nan 0.000 0.515 537 F N 2.749 122.622 119.950 -0.129 0.000 2.438 537 F HA 0.146 4.674 4.527 0.002 0.000 0.356 537 F C 1.266 177.114 175.800 0.079 0.000 1.099 537 F CA -0.247 57.753 58.000 0.000 0.000 1.185 537 F CB 0.754 39.715 39.000 -0.065 0.000 1.115 537 F HN 0.398 nan 8.300 nan 0.000 0.526 538 N N 3.880 122.823 118.700 0.404 0.000 2.415 538 N HA 0.107 4.848 4.740 0.002 0.000 0.250 538 N C 0.401 176.057 175.510 0.243 0.000 1.127 538 N CA -0.137 53.028 53.050 0.192 0.000 0.945 538 N CB 0.812 39.290 38.487 -0.015 0.000 1.196 538 N HN 0.460 nan 8.380 nan 0.000 0.499 539 V N 2.915 122.934 119.914 0.175 0.000 2.326 539 V HA -0.005 4.116 4.120 0.002 0.000 0.237 539 V C 1.334 177.474 176.094 0.078 0.000 1.044 539 V CA 1.027 63.406 62.300 0.132 0.000 1.035 539 V CB -0.466 31.405 31.823 0.080 0.000 0.675 539 V HN 0.550 nan 8.190 nan 0.000 0.470 540 T N -0.015 114.573 114.554 0.057 0.000 2.888 540 T HA 0.194 4.545 4.350 0.002 0.000 0.283 540 T C 0.553 175.289 174.700 0.062 0.000 1.013 540 T CA -0.268 61.862 62.100 0.051 0.000 0.938 540 T CB 0.461 69.359 68.868 0.050 0.000 1.298 540 T HN 0.319 nan 8.240 nan 0.000 0.580 541 D N 0.552 120.989 120.400 0.061 0.000 2.349 541 D HA 0.030 4.671 4.640 0.002 0.000 0.224 541 D C 0.404 176.756 176.300 0.086 0.000 1.029 541 D CA 0.557 54.591 54.000 0.056 0.000 0.879 541 D CB 0.183 41.007 40.800 0.039 0.000 0.906 541 D HN 0.382 nan 8.370 nan 0.000 0.528 542 D N -0.032 120.449 120.400 0.136 0.000 2.479 542 D HA 0.080 4.721 4.640 0.002 0.000 0.221 542 D C 0.369 176.835 176.300 0.277 0.000 1.104 542 D CA -0.148 53.985 54.000 0.223 0.000 0.849 542 D CB 1.341 42.355 40.800 0.357 0.000 1.072 542 D HN 0.110 nan 8.370 nan 0.000 0.502 543 L N 1.244 122.569 121.223 0.171 0.000 2.333 543 L HA 0.455 4.796 4.340 0.002 0.000 0.280 543 L C -1.250 175.691 176.870 0.119 0.000 1.004 543 L CA -0.335 54.578 54.840 0.121 0.000 0.820 543 L CB 1.611 43.654 42.059 -0.028 0.000 1.247 543 L HN -0.279 nan 8.230 nan 0.000 0.416 544 N N 4.979 123.769 118.700 0.150 0.000 2.448 544 N HA 0.363 5.104 4.740 0.002 0.000 0.279 544 N C -1.581 174.033 175.510 0.173 0.000 1.025 544 N CA -0.486 52.642 53.050 0.130 0.000 0.898 544 N CB 2.387 40.940 38.487 0.109 0.000 1.303 544 N HN 0.447 nan 8.380 nan 0.000 0.495 545 L N 2.875 124.197 121.223 0.165 0.000 2.292 545 L HA 0.509 4.850 4.340 0.002 0.000 0.284 545 L C -1.045 175.973 176.870 0.247 0.000 1.065 545 L CA -0.154 54.822 54.840 0.227 0.000 0.806 545 L CB 0.245 42.396 42.059 0.153 0.000 1.175 545 L HN 0.345 nan 8.230 nan 0.000 0.431 546 F N 5.933 126.053 119.950 0.282 0.000 2.332 546 F HA 0.477 5.005 4.527 0.002 0.000 0.368 546 F C -0.405 175.604 175.800 0.349 0.000 1.110 546 F CA -0.324 57.868 58.000 0.320 0.000 1.087 546 F CB 0.907 40.123 39.000 0.360 0.000 1.235 546 F HN 0.189 nan 8.300 nan 0.000 0.470 547 L N 3.877 125.403 121.223 0.505 0.000 2.319 547 L HA 0.828 5.170 4.340 0.002 0.000 0.281 547 L C 0.234 177.332 176.870 0.380 0.000 1.005 547 L CA -0.353 54.744 54.840 0.429 0.000 0.828 547 L CB 1.518 43.796 42.059 0.366 0.000 1.227 547 L HN 0.727 nan 8.230 nan 0.000 0.415 548 G N 1.235 110.265 108.800 0.384 0.000 2.827 548 G HA2 0.869 4.830 3.960 0.002 0.000 0.296 548 G HA3 0.869 4.830 3.960 0.002 0.000 0.296 548 G C -1.013 174.065 174.900 0.297 0.000 1.362 548 G CA -0.349 44.914 45.100 0.271 0.000 0.809 548 G HN 0.838 nan 8.290 nan 0.000 0.522 549 G N -1.282 107.623 108.800 0.175 0.000 2.347 549 G HA2 0.524 4.485 3.960 0.002 0.000 0.303 549 G HA3 0.524 4.485 3.960 0.002 0.000 0.303 549 G C -1.761 173.138 174.900 -0.001 0.000 1.481 549 G CA -0.620 44.470 45.100 -0.016 0.000 0.914 549 G HN 0.712 nan 8.290 nan 0.000 0.638 550 R N -0.073 120.292 120.500 -0.225 0.000 2.533 550 R HA 0.632 4.974 4.340 0.002 0.000 0.288 550 R C -0.332 175.984 176.300 0.027 0.000 1.039 550 R CA -0.609 55.495 56.100 0.007 0.000 0.909 550 R CB 1.989 32.278 30.300 -0.018 0.000 1.195 550 R HN 1.275 nan 8.270 nan 0.000 0.438 551 V N 1.825 121.846 119.914 0.179 0.000 2.567 551 V HA 0.726 4.847 4.120 0.002 0.000 0.289 551 V C -0.666 175.530 176.094 0.170 0.000 1.049 551 V CA -0.318 62.106 62.300 0.207 0.000 0.969 551 V CB 1.714 33.675 31.823 0.230 0.000 0.995 551 V HN 0.425 nan 8.190 nan 0.000 0.471 552 V N 4.006 124.035 119.914 0.191 0.000 2.709 552 V HA 0.522 4.643 4.120 0.002 0.000 0.308 552 V C -0.748 175.467 176.094 0.202 0.000 1.062 552 V CA -0.423 62.001 62.300 0.208 0.000 0.901 552 V CB 1.706 33.718 31.823 0.313 0.000 1.003 552 V HN 1.090 nan 8.190 nan 0.000 0.425 553 D N 2.433 122.931 120.400 0.163 0.000 2.391 553 D HA 0.380 5.021 4.640 0.002 0.000 0.245 553 D C -1.908 174.496 176.300 0.174 0.000 1.069 553 D CA -0.232 53.855 54.000 0.145 0.000 0.831 553 D CB 1.976 42.822 40.800 0.077 0.000 1.204 553 D HN 0.521 nan 8.370 nan 0.000 0.503 554 Y N 2.995 123.333 120.300 0.063 0.000 2.391 554 Y HA 0.426 4.977 4.550 0.002 0.000 0.341 554 Y C -0.834 175.083 175.900 0.028 0.000 0.965 554 Y CA -0.856 57.265 58.100 0.035 0.000 1.067 554 Y CB 1.477 39.985 38.460 0.080 0.000 1.199 554 Y HN 0.368 nan 8.280 nan 0.000 0.450 555 R N 4.850 125.173 120.500 -0.294 0.000 2.515 555 R HA 0.644 4.986 4.340 0.002 0.000 0.291 555 R C -2.236 173.927 176.300 -0.227 0.000 1.046 555 R CA -0.790 55.227 56.100 -0.139 0.000 0.914 555 R CB 1.581 31.837 30.300 -0.072 0.000 1.191 555 R HN 0.541 nan 8.270 nan 0.000 0.435 556 V N 2.740 122.618 119.914 -0.060 0.000 2.443 556 V HA 0.663 4.785 4.120 0.002 0.000 0.293 556 V C -0.663 175.466 176.094 0.059 0.000 1.021 556 V CA -0.086 62.215 62.300 0.001 0.000 0.848 556 V CB 1.636 33.493 31.823 0.058 0.000 0.998 556 V HN 0.866 nan 8.190 nan 0.000 0.424 557 T N 3.308 117.901 114.554 0.065 0.000 2.855 557 T HA 0.977 5.328 4.350 0.002 0.000 0.281 557 T C 0.327 175.082 174.700 0.091 0.000 1.007 557 T CA 0.261 62.403 62.100 0.069 0.000 1.009 557 T CB 1.589 70.486 68.868 0.048 0.000 0.983 557 T HN 1.695 nan 8.240 nan 0.000 0.455 558 G N 1.200 110.048 108.800 0.080 0.000 2.825 558 G HA2 0.305 4.266 3.960 0.002 0.000 0.100 558 G HA3 0.305 4.266 3.960 0.002 0.000 0.100 558 G C 0.044 174.978 174.900 0.057 0.000 1.195 558 G CA 0.021 45.164 45.100 0.073 0.000 1.317 558 G HN 0.896 nan 8.290 nan 0.000 0.632 559 L N 0.857 122.116 121.223 0.060 0.000 2.249 559 L HA 0.494 4.835 4.340 0.002 0.000 0.207 559 L C 0.543 177.456 176.870 0.072 0.000 1.090 559 L CA 0.541 55.416 54.840 0.057 0.000 0.802 559 L CB -0.330 41.763 42.059 0.057 0.000 0.947 559 L HN 0.289 nan 8.230 nan 0.000 0.453 560 N N 0.726 119.480 118.700 0.089 0.000 2.493 560 N HA 0.252 4.993 4.740 0.002 0.000 0.275 560 N C -2.386 173.170 175.510 0.078 0.000 1.186 560 N CA -1.452 51.654 53.050 0.093 0.000 0.978 560 N CB -0.054 38.501 38.487 0.114 0.000 1.184 560 N HN -0.046 nan 8.380 nan 0.000 0.487 561 P HA -0.093 nan 4.420 nan 0.000 0.262 561 P C -0.282 177.057 177.300 0.065 0.000 1.151 561 P CA 0.643 63.782 63.100 0.063 0.000 0.757 561 P CB -0.091 31.647 31.700 0.063 0.000 0.754 562 T N 4.392 118.982 114.554 0.059 0.000 2.908 562 T HA 0.116 4.467 4.350 0.002 0.000 0.301 562 T C 0.790 175.530 174.700 0.066 0.000 1.019 562 T CA 0.347 62.483 62.100 0.061 0.000 1.152 562 T CB -0.297 68.602 68.868 0.051 0.000 0.966 562 T HN 0.169 nan 8.240 nan 0.000 0.540 563 I N 4.336 124.954 120.570 0.081 0.000 2.331 563 I HA 0.441 4.613 4.170 0.002 0.000 0.292 563 I C 0.628 176.818 176.117 0.120 0.000 0.998 563 I CA -0.484 60.876 61.300 0.100 0.000 1.267 563 I CB 0.752 38.829 38.000 0.129 0.000 1.386 563 I HN 0.196 nan 8.210 nan 0.000 0.476 564 R N 5.905 126.472 120.500 0.111 0.000 2.518 564 R HA 0.356 4.698 4.340 0.002 0.000 0.296 564 R C -1.319 175.049 176.300 0.114 0.000 1.080 564 R CA -0.517 55.648 56.100 0.110 0.000 0.922 564 R CB 1.732 32.074 30.300 0.070 0.000 1.184 564 R HN 0.584 nan 8.270 nan 0.000 0.445 565 E N 1.661 121.960 120.200 0.165 0.000 2.171 565 E HA 0.368 4.719 4.350 0.002 0.000 0.271 565 E C -0.762 175.910 176.600 0.121 0.000 0.916 565 E CA -0.549 55.923 56.400 0.119 0.000 0.774 565 E CB 2.467 32.229 29.700 0.103 0.000 1.128 565 E HN 0.307 nan 8.360 nan 0.000 0.403 566 S N 0.109 115.851 115.700 0.069 0.000 2.482 566 S HA 0.528 4.999 4.470 0.002 0.000 0.303 566 S C 0.725 175.359 174.600 0.057 0.000 1.091 566 S CA 0.003 58.245 58.200 0.070 0.000 1.057 566 S CB 1.619 64.851 63.200 0.054 0.000 1.031 566 S HN 0.798 nan 8.310 nan 0.000 0.485 567 G N 2.465 111.314 108.800 0.082 0.000 2.168 567 G HA2 -0.248 3.713 3.960 0.002 0.000 0.257 567 G HA3 -0.248 3.713 3.960 0.002 0.000 0.257 567 G C 0.067 175.024 174.900 0.095 0.000 0.997 567 G CA -0.005 45.147 45.100 0.088 0.000 0.708 567 G HN 0.621 nan 8.290 nan 0.000 0.520 568 R N -0.653 119.885 120.500 0.063 0.000 2.489 568 R HA 0.299 4.640 4.340 0.002 0.000 0.287 568 R C -0.097 176.287 176.300 0.140 0.000 1.053 568 R CA -0.229 55.867 56.100 -0.006 0.000 1.036 568 R CB 0.307 30.422 30.300 -0.308 0.000 0.966 568 R HN 0.214 nan 8.270 nan 0.000 0.432 569 F N 4.276 124.229 119.950 0.004 0.000 2.404 569 F HA 0.352 4.880 4.527 0.002 0.000 0.345 569 F C -0.085 175.765 175.800 0.083 0.000 1.110 569 F CA -0.728 57.308 58.000 0.059 0.000 1.130 569 F CB 0.698 39.728 39.000 0.050 0.000 1.129 569 F HN 0.346 nan 8.300 nan 0.000 0.500 570 I N 8.709 128.884 120.570 -0.658 0.000 2.371 570 I HA 0.285 4.456 4.170 0.002 0.000 0.282 570 I C -2.298 173.308 176.117 -0.851 0.000 1.031 570 I CA -2.044 58.958 61.300 -0.496 0.000 1.180 570 I CB 1.275 39.150 38.000 -0.208 0.000 1.336 570 I HN 0.401 nan 8.210 nan 0.000 0.467 571 P HA 0.108 nan 4.420 nan 0.000 0.279 571 P C -1.475 175.839 177.300 0.024 0.000 1.239 571 P CA -0.205 62.829 63.100 -0.109 0.000 0.789 571 P CB 0.994 32.918 31.700 0.374 0.000 0.933 572 Y N 2.753 123.071 120.300 0.030 0.000 2.326 572 Y HA 0.449 5.001 4.550 0.002 0.000 0.329 572 Y C -1.122 174.873 175.900 0.159 0.000 0.973 572 Y CA -0.506 57.619 58.100 0.041 0.000 1.162 572 Y CB 1.417 39.886 38.460 0.014 0.000 1.147 572 Y HN 0.091 nan 8.280 nan 0.000 0.456 573 V N 5.041 124.969 119.914 0.024 0.000 2.638 573 V HA 0.943 5.064 4.120 0.002 0.000 0.306 573 V C -0.134 175.944 176.094 -0.026 0.000 1.052 573 V CA -0.347 62.032 62.300 0.132 0.000 0.885 573 V CB 1.577 33.494 31.823 0.157 0.000 0.999 573 V HN 0.934 nan 8.190 nan 0.000 0.424 574 G N 2.143 111.027 108.800 0.140 0.000 2.660 574 G HA2 0.946 4.907 3.960 0.002 0.000 0.290 574 G HA3 0.946 4.907 3.960 0.002 0.000 0.290 574 G C -1.458 173.631 174.900 0.315 0.000 1.432 574 G CA -0.048 45.123 45.100 0.119 0.000 0.807 574 G HN 1.316 nan 8.290 nan 0.000 0.485 575 A N -1.308 121.695 122.820 0.305 0.000 2.604 575 A HA 0.898 5.219 4.320 0.002 0.000 0.295 575 A C -1.598 176.195 177.584 0.347 0.000 1.067 575 A CA -0.182 52.065 52.037 0.350 0.000 0.683 575 A CB 1.805 20.939 19.000 0.223 0.000 1.281 575 A HN 2.228 nan 8.150 nan 0.000 0.407 576 V N 1.580 121.705 119.914 0.352 0.000 2.612 576 V HA 0.691 4.812 4.120 0.002 0.000 0.301 576 V C -2.293 174.001 176.094 0.334 0.000 1.059 576 V CA -0.491 62.017 62.300 0.347 0.000 0.886 576 V CB 1.606 33.628 31.823 0.332 0.000 1.007 576 V HN 1.295 nan 8.190 nan 0.000 0.426 577 Y N 5.386 125.781 120.300 0.159 0.000 2.334 577 Y HA 0.619 5.170 4.550 0.002 0.000 0.336 577 Y C 0.032 175.994 175.900 0.104 0.000 0.960 577 Y CA -1.545 56.623 58.100 0.114 0.000 1.164 577 Y CB 1.196 39.711 38.460 0.092 0.000 1.155 577 Y HN 0.756 nan 8.280 nan 0.000 0.478 578 D N 6.019 126.521 120.400 0.170 0.000 2.372 578 D HA 0.160 4.801 4.640 0.002 0.000 0.243 578 D C 0.801 176.983 176.300 -0.196 0.000 1.121 578 D CA 0.170 54.177 54.000 0.011 0.000 0.898 578 D CB 1.663 42.494 40.800 0.052 0.000 1.202 578 D HN 0.674 nan 8.370 nan 0.000 0.428 579 L N 1.141 122.282 121.223 -0.136 0.000 2.453 579 L HA 0.079 4.420 4.340 0.002 0.000 0.190 579 L C 0.674 177.501 176.870 -0.072 0.000 1.093 579 L CA 0.285 55.022 54.840 -0.172 0.000 0.834 579 L CB -0.115 41.878 42.059 -0.111 0.000 1.090 579 L HN 0.403 nan 8.230 nan 0.000 0.489 580 N N -2.583 116.106 118.700 -0.019 0.000 3.379 580 N HA 0.156 4.898 4.740 0.002 0.000 0.350 580 N C -0.157 175.329 175.510 -0.040 0.000 1.553 580 N CA -0.662 52.378 53.050 -0.017 0.000 0.712 580 N CB 0.033 38.522 38.487 0.004 0.000 1.880 580 N HN -0.248 nan 8.380 nan 0.000 0.648 581 D N -0.949 119.417 120.400 -0.057 0.000 2.310 581 D HA -0.054 4.587 4.640 0.002 0.000 0.212 581 D C 0.802 177.004 176.300 -0.162 0.000 0.965 581 D CA 1.329 55.279 54.000 -0.083 0.000 0.879 581 D CB -0.215 40.544 40.800 -0.067 0.000 0.921 581 D HN 0.543 nan 8.370 nan 0.000 0.510 582 T N -0.588 113.817 114.554 -0.247 0.000 2.904 582 T HA 0.006 4.357 4.350 0.002 0.000 0.243 582 T C 0.326 174.689 174.700 -0.563 0.000 1.024 582 T CA 0.554 62.325 62.100 -0.549 0.000 1.158 582 T CB 0.160 68.528 68.868 -0.834 0.000 0.867 582 T HN -0.022 nan 8.240 nan 0.000 0.429 583 Y N 0.978 121.192 120.300 -0.143 0.000 2.487 583 Y HA 0.640 5.191 4.550 0.002 0.000 0.337 583 Y C 0.021 175.885 175.900 -0.059 0.000 1.076 583 Y CA -1.260 56.779 58.100 -0.101 0.000 1.115 583 Y CB 1.703 40.115 38.460 -0.080 0.000 1.235 583 Y HN -0.053 nan 8.280 nan 0.000 0.468 584 S N 1.044 116.851 115.700 0.178 0.000 2.547 584 S HA 0.588 5.059 4.470 0.002 0.000 0.281 584 S C -0.996 173.706 174.600 0.170 0.000 1.118 584 S CA -1.021 57.260 58.200 0.135 0.000 0.947 584 S CB 1.390 64.683 63.200 0.154 0.000 1.053 584 S HN 0.476 nan 8.310 nan 0.000 0.482 585 V N 1.813 121.797 119.914 0.118 0.000 2.607 585 V HA 0.758 4.879 4.120 0.002 0.000 0.289 585 V C -0.622 175.610 176.094 0.231 0.000 1.053 585 V CA -0.560 61.809 62.300 0.115 0.000 0.996 585 V CB -0.243 31.617 31.823 0.062 0.000 0.995 585 V HN 0.925 nan 8.190 nan 0.000 0.476 586 Y N 1.466 121.838 120.300 0.120 0.000 2.581 586 Y HA 0.971 5.522 4.550 0.002 0.000 0.345 586 Y C -0.477 175.485 175.900 0.103 0.000 1.036 586 Y CA -0.869 57.305 58.100 0.122 0.000 1.042 586 Y CB 1.666 40.186 38.460 0.101 0.000 1.289 586 Y HN 1.052 nan 8.280 nan 0.000 0.471 587 A N 1.631 124.556 122.820 0.176 0.000 2.572 587 A HA 0.872 5.193 4.320 0.002 0.000 0.295 587 A C -1.096 176.592 177.584 0.173 0.000 1.072 587 A CA -0.144 51.945 52.037 0.087 0.000 0.691 587 A CB 1.439 20.471 19.000 0.054 0.000 1.291 587 A HN 1.740 nan 8.150 nan 0.000 0.404 588 S N 0.020 115.785 115.700 0.108 0.000 2.547 588 S HA 0.648 5.119 4.470 0.002 0.000 0.270 588 S C -1.592 172.981 174.600 -0.045 0.000 1.150 588 S CA -0.496 57.697 58.200 -0.012 0.000 0.850 588 S CB 1.310 64.434 63.200 -0.127 0.000 1.118 588 S HN 1.758 nan 8.310 nan 0.000 0.461 589 Y N 2.520 122.639 120.300 -0.301 0.000 2.338 589 Y HA 0.605 5.156 4.550 0.002 0.000 0.328 589 Y C -0.279 175.366 175.900 -0.426 0.000 0.965 589 Y CA -0.099 57.747 58.100 -0.423 0.000 1.208 589 Y CB 1.346 39.565 38.460 -0.402 0.000 1.132 589 Y HN 1.026 nan 8.280 nan 0.000 0.469 590 T N 1.900 116.040 114.554 -0.691 0.000 2.932 590 T HA 0.577 4.929 4.350 0.002 0.000 0.289 590 T C -1.268 173.038 174.700 -0.656 0.000 1.039 590 T CA -0.820 60.906 62.100 -0.623 0.000 1.024 590 T CB 2.377 70.992 68.868 -0.422 0.000 1.090 590 T HN 0.604 nan 8.240 nan 0.000 0.496 591 D N -0.319 119.802 120.400 -0.464 0.000 2.601 591 D HA 0.738 5.379 4.640 0.002 0.000 0.230 591 D C -1.299 174.866 176.300 -0.225 0.000 1.106 591 D CA -0.685 53.103 54.000 -0.353 0.000 0.873 591 D CB 1.921 42.536 40.800 -0.310 0.000 1.515 591 D HN 0.722 nan 8.370 nan 0.000 0.468 592 I N 2.058 122.522 120.570 -0.176 0.000 3.102 592 I HA 0.617 4.788 4.170 0.002 0.000 0.310 592 I C -1.580 174.508 176.117 -0.049 0.000 1.246 592 I CA -0.910 60.293 61.300 -0.161 0.000 0.979 592 I CB 1.545 39.401 38.000 -0.240 0.000 1.267 592 I HN 0.514 nan 8.210 nan 0.000 0.451 593 F N 4.196 124.029 119.950 -0.195 0.000 2.664 593 F HA 0.867 5.395 4.527 0.002 0.000 0.317 593 F C -1.421 174.244 175.800 -0.225 0.000 1.108 593 F CA -1.054 56.834 58.000 -0.187 0.000 0.957 593 F CB 1.706 40.613 39.000 -0.154 0.000 1.365 593 F HN 0.344 nan 8.300 nan 0.000 0.475 594 M N 2.750 122.325 119.600 -0.042 0.000 2.255 594 M HA 0.556 5.038 4.480 0.002 0.000 0.275 594 M C -3.185 173.048 176.300 -0.111 0.000 1.050 594 M CA -2.442 52.716 55.300 -0.236 0.000 0.978 594 M CB 2.204 34.674 32.600 -0.216 0.000 1.761 594 M HN 0.320 nan 8.290 nan 0.000 0.479 595 P HA 0.186 nan 4.420 nan 0.000 0.268 595 P C -1.166 176.083 177.300 -0.084 0.000 1.204 595 P CA -0.072 62.965 63.100 -0.106 0.000 0.768 595 P CB 0.520 32.137 31.700 -0.138 0.000 0.842 596 Q N 2.452 122.224 119.800 -0.048 0.000 2.369 596 Q HA -0.005 4.337 4.340 0.002 0.000 0.295 596 Q C 0.153 176.085 176.000 -0.114 0.000 1.075 596 Q CA 0.874 56.645 55.803 -0.052 0.000 0.941 596 Q CB 0.028 28.750 28.738 -0.026 0.000 1.260 596 Q HN 0.387 nan 8.270 nan 0.000 0.417 597 D N 0.102 120.377 120.400 -0.209 0.000 2.354 597 D HA -0.060 4.582 4.640 0.002 0.000 0.238 597 D C 0.617 176.488 176.300 -0.714 0.000 1.250 597 D CA 0.192 53.828 54.000 -0.607 0.000 0.911 597 D CB 0.833 40.857 40.800 -1.293 0.000 1.163 597 D HN 0.593 nan 8.370 nan 0.000 0.456 598 S N -0.026 115.232 115.700 -0.736 0.000 2.368 598 S HA -0.125 4.346 4.470 0.002 0.000 0.224 598 S C 1.729 176.232 174.600 -0.161 0.000 1.029 598 S CA 1.192 59.249 58.200 -0.238 0.000 0.988 598 S CB -0.235 62.990 63.200 0.042 0.000 0.838 598 S HN 0.606 nan 8.310 nan 0.000 0.462 599 W N -0.090 121.103 121.300 -0.178 0.000 2.584 599 W HA 0.242 4.904 4.660 0.002 0.000 0.264 599 W C -0.098 176.305 176.519 -0.192 0.000 1.264 599 W CA -0.370 56.868 57.345 -0.177 0.000 1.306 599 W CB -0.968 28.361 29.460 -0.218 0.000 1.110 599 W HN 0.084 nan 8.180 nan 0.000 0.606 600 Y N 3.697 123.772 120.300 -0.374 0.000 2.529 600 Y HA 0.219 4.770 4.550 0.002 0.000 0.342 600 Y C 0.522 176.362 175.900 -0.101 0.000 1.249 600 Y CA -0.579 57.247 58.100 -0.457 0.000 1.810 600 Y CB -0.975 37.175 38.460 -0.516 0.000 1.653 600 Y HN -0.015 nan 8.280 nan 0.000 0.451 601 R N 0.935 121.588 120.500 0.254 0.000 2.807 601 R HA 0.350 4.691 4.340 0.002 0.000 0.276 601 R C -0.446 175.967 176.300 0.188 0.000 0.979 601 R CA -1.196 55.015 56.100 0.185 0.000 0.928 601 R CB 1.508 31.901 30.300 0.154 0.000 1.191 601 R HN 0.411 nan 8.270 nan 0.000 0.471 602 D N 0.161 120.607 120.400 0.076 0.000 2.414 602 D HA 0.060 4.701 4.640 0.002 0.000 0.259 602 D C 0.528 176.750 176.300 -0.130 0.000 1.269 602 D CA -0.488 53.505 54.000 -0.011 0.000 1.028 602 D CB 0.301 41.082 40.800 -0.032 0.000 1.093 602 D HN 0.244 nan 8.370 nan 0.000 0.545 603 S N -0.915 114.593 115.700 -0.320 0.000 2.381 603 S HA -0.201 4.270 4.470 0.002 0.000 0.230 603 S C 1.787 176.217 174.600 -0.283 0.000 1.052 603 S CA 1.660 59.503 58.200 -0.595 0.000 1.068 603 S CB -0.567 62.293 63.200 -0.567 0.000 0.918 603 S HN 0.523 nan 8.310 nan 0.000 0.448 604 S N 1.267 116.879 115.700 -0.147 0.000 2.660 604 S HA 0.103 4.574 4.470 0.002 0.000 0.223 604 S C 0.855 175.440 174.600 -0.024 0.000 0.963 604 S CA 0.197 58.357 58.200 -0.067 0.000 0.932 604 S CB -0.405 62.770 63.200 -0.042 0.000 0.775 604 S HN 0.576 nan 8.310 nan 0.000 0.531 605 N N 1.134 119.822 118.700 -0.019 0.000 2.828 605 N HA -0.189 4.552 4.740 0.002 0.000 0.248 605 N C -0.639 174.894 175.510 0.039 0.000 1.044 605 N CA 0.997 54.066 53.050 0.032 0.000 0.851 605 N CB -1.317 37.198 38.487 0.047 0.000 1.136 605 N HN 0.446 nan 8.380 nan 0.000 0.572 606 K N 0.279 120.692 120.400 0.022 0.000 2.174 606 K HA 0.287 4.608 4.320 0.002 0.000 0.275 606 K C 0.284 176.905 176.600 0.034 0.000 1.015 606 K CA -0.884 55.418 56.287 0.026 0.000 0.933 606 K CB 0.934 33.441 32.500 0.013 0.000 1.025 606 K HN 0.126 nan 8.250 nan 0.000 0.463 607 L N 2.895 124.140 121.223 0.036 0.000 2.503 607 L HA -0.038 4.303 4.340 0.002 0.000 0.287 607 L C -0.431 176.454 176.870 0.025 0.000 1.252 607 L CA 0.716 55.577 54.840 0.034 0.000 0.835 607 L CB 0.217 42.292 42.059 0.027 0.000 1.099 607 L HN 0.483 nan 8.230 nan 0.000 0.516 608 L N 2.703 123.940 121.223 0.023 0.000 2.349 608 L HA 0.184 4.525 4.340 0.002 0.000 0.275 608 L C 0.426 177.291 176.870 -0.009 0.000 1.115 608 L CA -0.635 54.210 54.840 0.007 0.000 0.820 608 L CB 1.066 43.123 42.059 -0.003 0.000 1.135 608 L HN 0.652 nan 8.230 nan 0.000 0.445 609 E N 4.526 124.717 120.200 -0.015 0.000 2.534 609 E HA -0.046 4.306 4.350 0.002 0.000 0.264 609 E C -2.264 174.316 176.600 -0.033 0.000 0.981 609 E CA -0.659 55.725 56.400 -0.028 0.000 0.948 609 E CB 0.346 30.029 29.700 -0.029 0.000 0.934 609 E HN 0.200 nan 8.360 nan 0.000 0.459 610 P HA -0.098 nan 4.420 nan 0.000 0.262 610 P C -0.761 176.534 177.300 -0.008 0.000 1.182 610 P CA 0.218 63.312 63.100 -0.011 0.000 0.761 610 P CB 0.408 32.127 31.700 0.032 0.000 0.795 611 D N 3.304 123.690 120.400 -0.024 0.000 2.472 611 D HA -0.022 4.619 4.640 0.002 0.000 0.248 611 D C -0.118 176.171 176.300 -0.018 0.000 1.174 611 D CA 0.963 54.944 54.000 -0.032 0.000 0.883 611 D CB 0.216 40.982 40.800 -0.057 0.000 1.149 611 D HN 0.372 nan 8.370 nan 0.000 0.488 612 E N 2.347 122.536 120.200 -0.018 0.000 2.354 612 E HA 0.591 4.943 4.350 0.002 0.000 0.283 612 E C -1.409 175.173 176.600 -0.029 0.000 0.938 612 E CA -0.908 55.492 56.400 0.000 0.000 0.777 612 E CB 1.310 31.026 29.700 0.027 0.000 1.222 612 E HN 0.446 nan 8.360 nan 0.000 0.423 613 G N 2.118 110.876 108.800 -0.070 0.000 2.692 613 G HA2 0.484 4.445 3.960 0.002 0.000 0.291 613 G HA3 0.484 4.445 3.960 0.002 0.000 0.291 613 G C -1.669 173.184 174.900 -0.078 0.000 1.423 613 G CA -0.648 44.426 45.100 -0.044 0.000 0.843 613 G HN 0.340 nan 8.290 nan 0.000 0.486 614 Q N -0.144 119.658 119.800 0.003 0.000 2.309 614 Q HA 0.489 4.830 4.340 0.002 0.000 0.264 614 Q C -0.376 175.611 176.000 -0.021 0.000 1.008 614 Q CA -0.754 54.971 55.803 -0.128 0.000 0.853 614 Q CB 2.127 30.797 28.738 -0.114 0.000 1.314 614 Q HN 0.611 nan 8.270 nan 0.000 0.448 615 N N 1.011 119.596 118.700 -0.191 0.000 2.419 615 N HA 0.400 5.141 4.740 0.002 0.000 0.277 615 N C -1.762 173.715 175.510 -0.054 0.000 1.006 615 N CA -0.289 52.740 53.050 -0.035 0.000 0.923 615 N CB 0.586 39.008 38.487 -0.107 0.000 1.140 615 N HN 0.375 nan 8.380 nan 0.000 0.488 616 Y N 1.267 121.588 120.300 0.035 0.000 2.326 616 Y HA 0.407 4.958 4.550 0.002 0.000 0.331 616 Y C -0.275 175.690 175.900 0.108 0.000 0.962 616 Y CA -0.852 57.292 58.100 0.073 0.000 1.167 616 Y CB 1.517 40.009 38.460 0.052 0.000 1.148 616 Y HN 0.477 nan 8.280 nan 0.000 0.463 617 E N 3.714 124.053 120.200 0.232 0.000 2.263 617 E HA 0.548 4.899 4.350 0.002 0.000 0.268 617 E C -1.630 175.027 176.600 0.096 0.000 0.884 617 E CA -0.539 55.984 56.400 0.205 0.000 0.766 617 E CB 2.049 31.883 29.700 0.223 0.000 1.196 617 E HN 0.702 nan 8.360 nan 0.000 0.416 618 I N 2.782 123.390 120.570 0.063 0.000 2.648 618 I HA 0.797 4.968 4.170 0.002 0.000 0.304 618 I C -0.121 175.843 176.117 -0.255 0.000 1.009 618 I CA -0.262 60.960 61.300 -0.130 0.000 1.114 618 I CB 1.733 39.717 38.000 -0.026 0.000 1.293 618 I HN 0.660 nan 8.210 nan 0.000 0.449 619 G N 5.818 114.265 108.800 -0.589 0.000 2.506 619 G HA2 0.485 4.446 3.960 0.002 0.000 0.292 619 G HA3 0.485 4.446 3.960 0.002 0.000 0.292 619 G C -2.268 172.456 174.900 -0.294 0.000 1.425 619 G CA -0.516 44.317 45.100 -0.445 0.000 0.788 619 G HN 0.626 nan 8.290 nan 0.000 0.490 620 I N -0.368 120.213 120.570 0.018 0.000 2.545 620 I HA 0.694 4.865 4.170 0.002 0.000 0.292 620 I C -0.922 175.345 176.117 0.251 0.000 1.040 620 I CA -0.916 60.452 61.300 0.113 0.000 1.068 620 I CB 1.943 39.941 38.000 -0.003 0.000 1.251 620 I HN 0.371 nan 8.210 nan 0.000 0.424 621 K N 4.983 125.560 120.400 0.295 0.000 2.443 621 K HA 0.580 4.901 4.320 0.002 0.000 0.252 621 K C -0.563 176.190 176.600 0.256 0.000 0.933 621 K CA -0.788 55.658 56.287 0.265 0.000 0.792 621 K CB 2.114 34.735 32.500 0.202 0.000 1.185 621 K HN 0.747 nan 8.250 nan 0.000 0.425 622 G N 1.461 110.399 108.800 0.230 0.000 2.412 622 G HA2 0.391 4.353 3.960 0.002 0.000 0.318 622 G HA3 0.391 4.353 3.960 0.002 0.000 0.318 622 G C -1.113 173.628 174.900 -0.265 0.000 1.146 622 G CA -0.134 44.879 45.100 -0.145 0.000 0.882 622 G HN 0.610 nan 8.290 nan 0.000 0.501 623 E N 0.054 119.846 120.200 -0.681 0.000 2.290 623 E HA 0.574 4.926 4.350 0.002 0.000 0.274 623 E C -1.794 174.493 176.600 -0.521 0.000 0.889 623 E CA -0.721 55.462 56.400 -0.361 0.000 0.760 623 E CB 1.554 31.139 29.700 -0.191 0.000 1.206 623 E HN 0.472 nan 8.360 nan 0.000 0.419 624 Y N 2.920 123.166 120.300 -0.090 0.000 2.562 624 Y HA 0.396 4.948 4.550 0.002 0.000 0.345 624 Y C -0.256 175.610 175.900 -0.056 0.000 1.045 624 Y CA -1.378 56.669 58.100 -0.088 0.000 1.028 624 Y CB 1.579 39.985 38.460 -0.090 0.000 1.297 624 Y HN 0.506 nan 8.280 nan 0.000 0.463 625 L N 3.401 124.688 121.223 0.106 0.000 3.746 625 L HA -0.333 4.009 4.340 0.002 0.000 0.542 625 L C -0.321 176.570 176.870 0.035 0.000 1.268 625 L CA 0.666 55.539 54.840 0.055 0.000 0.818 625 L CB -1.126 40.962 42.059 0.048 0.000 1.472 625 L HN 0.872 nan 8.230 nan 0.000 0.843 626 D N -0.113 120.297 120.400 0.017 0.000 3.059 626 D HA -0.251 4.390 4.640 0.002 0.000 0.222 626 D C 1.323 177.629 176.300 0.011 0.000 1.185 626 D CA 2.180 56.184 54.000 0.007 0.000 0.904 626 D CB -0.807 39.999 40.800 0.010 0.000 1.122 626 D HN 1.150 nan 8.370 nan 0.000 0.410 627 G N -0.765 108.048 108.800 0.021 0.000 2.168 627 G HA2 -0.318 3.644 3.960 0.002 0.000 0.197 627 G HA3 -0.318 3.644 3.960 0.002 0.000 0.197 627 G C 0.957 175.880 174.900 0.038 0.000 0.997 627 G CA 0.458 45.573 45.100 0.025 0.000 0.658 627 G HN 0.417 nan 8.290 nan 0.000 0.513 628 R N -1.056 119.468 120.500 0.040 0.000 2.189 628 R HA 0.385 4.726 4.340 0.002 0.000 0.218 628 R C 0.863 177.187 176.300 0.039 0.000 1.074 628 R CA 1.046 57.167 56.100 0.035 0.000 0.991 628 R CB 0.117 30.430 30.300 0.022 0.000 0.883 628 R HN 0.420 nan 8.270 nan 0.000 0.457 629 L N 0.084 121.350 121.223 0.072 0.000 2.386 629 L HA 0.398 4.739 4.340 0.002 0.000 0.271 629 L C -1.575 175.417 176.870 0.203 0.000 0.993 629 L CA -0.475 54.414 54.840 0.083 0.000 0.819 629 L CB 2.195 44.248 42.059 -0.011 0.000 1.294 629 L HN -0.079 nan 8.230 nan 0.000 0.414 630 N N 1.215 120.011 118.700 0.161 0.000 2.249 630 N HA 0.784 5.525 4.740 0.002 0.000 0.296 630 N C -1.368 174.268 175.510 0.210 0.000 1.051 630 N CA -0.605 52.558 53.050 0.189 0.000 0.815 630 N CB 2.130 40.680 38.487 0.105 0.000 1.487 630 N HN 0.731 nan 8.380 nan 0.000 0.475 631 T N -1.638 113.092 114.554 0.294 0.000 2.930 631 T HA 0.857 5.208 4.350 0.002 0.000 0.290 631 T C -0.593 174.238 174.700 0.219 0.000 1.052 631 T CA -0.791 61.461 62.100 0.254 0.000 1.017 631 T CB 1.553 70.617 68.868 0.326 0.000 1.137 631 T HN 0.448 nan 8.240 nan 0.000 0.511 632 S N 0.730 116.547 115.700 0.195 0.000 2.537 632 S HA 0.697 5.168 4.470 0.002 0.000 0.271 632 S C -1.584 173.130 174.600 0.190 0.000 1.148 632 S CA -1.013 57.307 58.200 0.200 0.000 0.868 632 S CB 1.688 64.994 63.200 0.177 0.000 1.115 632 S HN 1.125 nan 8.310 nan 0.000 0.461 633 L N 1.810 123.151 121.223 0.198 0.000 2.528 633 L HA 0.786 5.127 4.340 0.002 0.000 0.267 633 L C -1.119 175.868 176.870 0.195 0.000 0.961 633 L CA -0.456 54.491 54.840 0.178 0.000 0.866 633 L CB 1.481 43.605 42.059 0.108 0.000 1.248 633 L HN 1.200 nan 8.230 nan 0.000 0.404 634 A N 3.821 126.797 122.820 0.259 0.000 2.386 634 A HA 0.591 4.912 4.320 0.002 0.000 0.311 634 A C -2.032 175.763 177.584 0.351 0.000 1.068 634 A CA -0.422 51.783 52.037 0.280 0.000 0.743 634 A CB 1.448 20.654 19.000 0.345 0.000 1.258 634 A HN 0.663 nan 8.150 nan 0.000 0.429 635 Y N 2.497 122.891 120.300 0.157 0.000 2.323 635 Y HA 0.640 5.191 4.550 0.002 0.000 0.331 635 Y C -0.787 175.222 175.900 0.182 0.000 1.092 635 Y CA -0.903 57.266 58.100 0.116 0.000 1.150 635 Y CB 0.853 39.326 38.460 0.021 0.000 1.200 635 Y HN 0.696 nan 8.280 nan 0.000 0.472 636 F N 2.046 121.712 119.950 -0.473 0.000 2.629 636 F HA 0.771 5.299 4.527 0.002 0.000 0.316 636 F C -1.513 174.025 175.800 -0.437 0.000 1.081 636 F CA -1.262 56.559 58.000 -0.299 0.000 0.954 636 F CB 1.887 40.832 39.000 -0.092 0.000 1.337 636 F HN 0.439 nan 8.300 nan 0.000 0.474 637 E N 2.178 122.413 120.200 0.058 0.000 2.287 637 E HA 0.478 4.830 4.350 0.002 0.000 0.274 637 E C -1.695 175.117 176.600 0.353 0.000 0.896 637 E CA -0.559 55.900 56.400 0.099 0.000 0.788 637 E CB 2.275 32.037 29.700 0.103 0.000 1.244 637 E HN 0.698 nan 8.360 nan 0.000 0.408 638 I N 3.672 124.467 120.570 0.375 0.000 2.336 638 I HA 0.273 4.445 4.170 0.002 0.000 0.292 638 I C -0.243 176.143 176.117 0.448 0.000 0.991 638 I CA -0.563 60.969 61.300 0.387 0.000 1.227 638 I CB 1.058 39.265 38.000 0.345 0.000 1.366 638 I HN 0.447 nan 8.210 nan 0.000 0.466 639 H N 5.728 124.913 119.070 0.193 0.000 2.683 639 H HA 0.221 4.778 4.556 0.002 0.000 0.270 639 H C -0.399 175.006 175.328 0.128 0.000 1.201 639 H CA -0.506 55.634 56.048 0.153 0.000 1.277 639 H CB 1.212 31.074 29.762 0.166 0.000 1.400 639 H HN 0.592 nan 8.280 nan 0.000 0.504 640 E N 3.804 124.137 120.200 0.221 0.000 2.354 640 E HA 0.031 4.382 4.350 0.002 0.000 0.269 640 E C -0.353 176.313 176.600 0.110 0.000 1.036 640 E CA -0.531 55.959 56.400 0.150 0.000 0.876 640 E CB 0.790 30.631 29.700 0.234 0.000 1.009 640 E HN 0.636 nan 8.360 nan 0.000 0.416 641 E N 3.536 123.779 120.200 0.073 0.000 2.369 641 E HA 0.228 4.580 4.350 0.002 0.000 0.270 641 E C -0.501 176.111 176.600 0.020 0.000 0.909 641 E CA -1.002 55.427 56.400 0.048 0.000 0.775 641 E CB 0.819 30.550 29.700 0.052 0.000 1.270 641 E HN 0.634 nan 8.360 nan 0.000 0.445 642 N N 0.509 119.214 118.700 0.007 0.000 2.735 642 N HA -0.226 4.515 4.740 0.002 0.000 0.248 642 N C -0.273 175.215 175.510 -0.037 0.000 1.083 642 N CA 1.015 54.056 53.050 -0.016 0.000 0.703 642 N CB -1.144 37.328 38.487 -0.025 0.000 1.005 642 N HN 0.635 nan 8.380 nan 0.000 0.550 643 R N 0.726 121.216 120.500 -0.016 0.000 2.347 643 R HA 0.414 4.756 4.340 0.002 0.000 0.304 643 R C 0.176 176.429 176.300 -0.077 0.000 1.072 643 R CA -0.035 56.045 56.100 -0.032 0.000 0.980 643 R CB 0.474 30.790 30.300 0.026 0.000 0.986 643 R HN 0.183 nan 8.270 nan 0.000 0.448 644 A N 4.694 127.395 122.820 -0.197 0.000 2.438 644 A HA 0.128 4.449 4.320 0.002 0.000 0.280 644 A C -0.391 177.161 177.584 -0.053 0.000 1.160 644 A CA -0.178 51.717 52.037 -0.238 0.000 0.821 644 A CB 0.376 18.899 19.000 -0.795 0.000 1.101 644 A HN 0.830 nan 8.150 nan 0.000 0.515 645 E N 0.560 120.801 120.200 0.069 0.000 2.264 645 E HA 0.295 4.646 4.350 0.002 0.000 0.260 645 E C 1.210 177.914 176.600 0.172 0.000 0.961 645 E CA -0.270 56.204 56.400 0.123 0.000 0.834 645 E CB 1.016 30.746 29.700 0.051 0.000 1.230 645 E HN 0.708 nan 8.360 nan 0.000 0.412 646 E N 1.430 121.674 120.200 0.075 0.000 2.023 646 E HA -0.271 4.081 4.350 0.002 0.000 0.196 646 E C -0.413 176.037 176.600 -0.250 0.000 1.003 646 E CA 1.594 57.871 56.400 -0.204 0.000 0.809 646 E CB 0.022 29.635 29.700 -0.146 0.000 0.755 646 E HN 0.489 nan 8.360 nan 0.000 0.449 647 D N -1.254 119.077 120.400 -0.115 0.000 3.314 647 D HA -0.104 4.538 4.640 0.002 0.000 0.238 647 D C 0.002 176.248 176.300 -0.091 0.000 1.013 647 D CA 0.744 54.695 54.000 -0.082 0.000 0.974 647 D CB -1.179 39.580 40.800 -0.068 0.000 0.946 647 D HN 0.333 nan 8.370 nan 0.000 0.418 648 A N 1.829 124.616 122.820 -0.055 0.000 2.067 648 A HA 0.030 4.351 4.320 0.002 0.000 0.217 648 A C 2.158 179.724 177.584 -0.031 0.000 1.156 648 A CA 1.244 53.254 52.037 -0.044 0.000 0.683 648 A CB -0.014 18.977 19.000 -0.015 0.000 0.808 648 A HN 0.464 nan 8.150 nan 0.000 0.455 649 L N -1.753 119.466 121.223 -0.007 0.000 2.072 649 L HA -0.037 4.304 4.340 0.002 0.000 0.205 649 L C 2.237 179.112 176.870 0.008 0.000 1.079 649 L CA 1.977 56.818 54.840 0.002 0.000 0.752 649 L CB -0.703 41.366 42.059 0.018 0.000 0.906 649 L HN 0.487 nan 8.230 nan 0.000 0.436 650 Y N 0.830 121.093 120.300 -0.062 0.000 2.089 650 Y HA -0.278 4.273 4.550 0.002 0.000 0.282 650 Y C 2.362 178.223 175.900 -0.065 0.000 1.139 650 Y CA 2.161 60.224 58.100 -0.062 0.000 1.123 650 Y CB -0.548 37.868 38.460 -0.074 0.000 0.980 650 Y HN 0.327 nan 8.280 nan 0.000 0.493 651 N N 0.122 118.704 118.700 -0.196 0.000 2.258 651 N HA -0.180 4.561 4.740 0.002 0.000 0.187 651 N C 2.006 177.403 175.510 -0.187 0.000 1.012 651 N CA 1.524 54.429 53.050 -0.241 0.000 0.870 651 N CB -0.696 37.683 38.487 -0.181 0.000 0.977 651 N HN 0.597 nan 8.380 nan 0.000 0.434 652 S N 0.103 115.717 115.700 -0.143 0.000 2.436 652 S HA -0.060 4.412 4.470 0.002 0.000 0.228 652 S C 0.585 175.118 174.600 -0.112 0.000 1.014 652 S CA 0.401 58.547 58.200 -0.090 0.000 0.950 652 S CB -0.154 63.015 63.200 -0.052 0.000 0.784 652 S HN 0.512 nan 8.310 nan 0.000 0.504 653 K N 1.064 121.361 120.400 -0.171 0.000 2.790 653 K HA 0.440 4.761 4.320 0.002 0.000 0.253 653 K C -3.430 172.993 176.600 -0.295 0.000 1.082 653 K CA -1.659 54.522 56.287 -0.177 0.000 1.067 653 K CB 1.255 33.698 32.500 -0.096 0.000 1.284 653 K HN 0.012 nan 8.250 nan 0.000 0.529 654 P HA -0.005 nan 4.420 nan 0.000 0.269 654 P C 0.198 177.382 177.300 -0.193 0.000 1.215 654 P CA -0.015 62.640 63.100 -0.742 0.000 0.780 654 P CB 1.269 32.619 31.700 -0.583 0.000 0.898 655 T N -3.443 111.159 114.554 0.079 0.000 2.959 655 T HA 0.082 4.433 4.350 0.002 0.000 0.254 655 T C 0.547 175.345 174.700 0.164 0.000 1.003 655 T CA -0.091 62.087 62.100 0.130 0.000 0.950 655 T CB -0.295 68.658 68.868 0.141 0.000 1.090 655 T HN 0.360 nan 8.240 nan 0.000 0.503 656 N N 2.616 121.478 118.700 0.270 0.000 2.469 656 N HA 0.395 5.136 4.740 0.002 0.000 0.253 656 N C -2.355 173.256 175.510 0.169 0.000 0.970 656 N CA -2.596 50.563 53.050 0.182 0.000 0.940 656 N CB 1.952 40.521 38.487 0.136 0.000 1.128 656 N HN -0.110 nan 8.380 nan 0.000 0.503 657 P HA -0.005 nan 4.420 nan 0.000 0.228 657 P C 0.633 177.990 177.300 0.096 0.000 1.151 657 P CA 0.639 63.794 63.100 0.091 0.000 0.770 657 P CB 0.209 31.947 31.700 0.064 0.000 0.786 658 A N -1.159 121.719 122.820 0.098 0.000 2.119 658 A HA 0.045 4.366 4.320 0.002 0.000 0.217 658 A C 1.099 178.752 177.584 0.116 0.000 1.153 658 A CA 0.741 52.833 52.037 0.091 0.000 0.692 658 A CB -0.625 18.420 19.000 0.075 0.000 0.799 658 A HN 0.297 nan 8.150 nan 0.000 0.458 659 I N -1.849 118.812 120.570 0.152 0.000 2.627 659 I HA 0.224 4.395 4.170 0.002 0.000 0.288 659 I C 0.199 176.479 176.117 0.272 0.000 1.202 659 I CA -0.239 61.179 61.300 0.197 0.000 1.050 659 I CB 2.086 40.194 38.000 0.179 0.000 1.264 659 I HN -0.011 nan 8.210 nan 0.000 0.429 660 T N 5.801 120.496 114.554 0.235 0.000 3.001 660 T HA 0.159 4.510 4.350 0.002 0.000 0.251 660 T C -0.715 174.130 174.700 0.242 0.000 1.040 660 T CA 0.517 62.727 62.100 0.183 0.000 0.985 660 T CB -0.078 68.862 68.868 0.120 0.000 1.011 660 T HN 0.447 nan 8.240 nan 0.000 0.509 661 Y N 2.056 122.441 120.300 0.143 0.000 2.344 661 Y HA 0.631 5.183 4.550 0.002 0.000 0.328 661 Y C -0.592 175.376 175.900 0.113 0.000 1.067 661 Y CA -1.474 56.677 58.100 0.086 0.000 1.247 661 Y CB 0.385 38.867 38.460 0.037 0.000 1.113 661 Y HN 0.115 nan 8.280 nan 0.000 0.465 662 A N 4.001 126.678 122.820 -0.238 0.000 2.282 662 A HA 0.855 5.177 4.320 0.002 0.000 0.324 662 A C -1.963 175.365 177.584 -0.426 0.000 1.119 662 A CA -0.439 51.533 52.037 -0.109 0.000 0.880 662 A CB 0.942 19.905 19.000 -0.061 0.000 1.294 662 A HN 0.660 nan 8.150 nan 0.000 0.493 663 Y N -0.384 119.909 120.300 -0.013 0.000 2.602 663 Y HA 0.566 5.117 4.550 0.002 0.000 0.342 663 Y C 0.302 176.192 175.900 -0.017 0.000 1.029 663 Y CA -0.693 57.415 58.100 0.013 0.000 1.080 663 Y CB 2.153 40.694 38.460 0.134 0.000 1.284 663 Y HN 0.744 nan 8.280 nan 0.000 0.485 664 K N -0.193 120.284 120.400 0.129 0.000 2.443 664 K HA 0.851 5.173 4.320 0.002 0.000 0.251 664 K C -0.651 175.975 176.600 0.045 0.000 0.972 664 K CA -1.309 55.012 56.287 0.057 0.000 0.833 664 K CB 2.193 34.703 32.500 0.016 0.000 1.317 664 K HN 0.767 nan 8.250 nan 0.000 0.441 665 G N 2.380 111.189 108.800 0.015 0.000 2.329 665 G HA2 0.510 4.471 3.960 0.002 0.000 0.309 665 G HA3 0.510 4.471 3.960 0.002 0.000 0.309 665 G C -0.138 174.763 174.900 0.001 0.000 1.110 665 G CA -0.904 44.193 45.100 -0.004 0.000 0.923 665 G HN 0.664 nan 8.290 nan 0.000 0.430 666 I N -0.925 119.646 120.570 0.001 0.000 2.648 666 I HA 0.621 4.792 4.170 0.002 0.000 0.304 666 I C 0.012 176.135 176.117 0.011 0.000 1.009 666 I CA -1.386 59.917 61.300 0.005 0.000 1.114 666 I CB 1.951 39.953 38.000 0.003 0.000 1.293 666 I HN 0.186 nan 8.210 nan 0.000 0.449 667 K N 3.004 123.411 120.400 0.012 0.000 2.258 667 K HA 0.653 4.975 4.320 0.002 0.000 0.264 667 K C -0.390 176.217 176.600 0.012 0.000 1.007 667 K CA -0.405 55.893 56.287 0.018 0.000 0.941 667 K CB 0.980 33.486 32.500 0.009 0.000 0.966 667 K HN 0.839 nan 8.250 nan 0.000 0.480 668 A N 1.893 124.730 122.820 0.028 0.000 2.572 668 A HA 0.532 4.853 4.320 0.002 0.000 0.295 668 A C -1.445 176.146 177.584 0.012 0.000 1.072 668 A CA -0.756 51.289 52.037 0.013 0.000 0.691 668 A CB 1.644 20.663 19.000 0.032 0.000 1.291 668 A HN 0.636 nan 8.150 nan 0.000 0.404 669 K N 0.489 120.868 120.400 -0.035 0.000 2.427 669 K HA 0.640 4.962 4.320 0.002 0.000 0.252 669 K C -1.348 175.243 176.600 -0.014 0.000 0.931 669 K CA -0.293 55.959 56.287 -0.058 0.000 0.793 669 K CB 2.038 34.419 32.500 -0.197 0.000 1.211 669 K HN 0.681 nan 8.250 nan 0.000 0.426 670 T N 3.688 118.284 114.554 0.070 0.000 2.756 670 T HA 0.317 4.668 4.350 0.002 0.000 0.290 670 T C -0.810 173.889 174.700 -0.002 0.000 0.985 670 T CA -0.597 61.530 62.100 0.045 0.000 0.955 670 T CB 0.823 69.792 68.868 0.169 0.000 0.930 670 T HN 0.351 nan 8.240 nan 0.000 0.451 671 K N 2.011 122.356 120.400 -0.091 0.000 2.213 671 K HA 0.727 5.048 4.320 0.002 0.000 0.270 671 K C 0.326 176.712 176.600 -0.356 0.000 1.002 671 K CA -0.475 55.698 56.287 -0.189 0.000 0.868 671 K CB 1.720 34.217 32.500 -0.006 0.000 1.093 671 K HN 0.788 nan 8.250 nan 0.000 0.454 672 G N 1.509 109.812 108.800 -0.828 0.000 2.550 672 G HA2 0.512 4.473 3.960 0.002 0.000 0.293 672 G HA3 0.512 4.473 3.960 0.002 0.000 0.293 672 G C -2.098 172.209 174.900 -0.989 0.000 1.402 672 G CA -0.769 43.815 45.100 -0.860 0.000 0.784 672 G HN 0.527 nan 8.290 nan 0.000 0.482 673 Y N -1.825 118.297 120.300 -0.296 0.000 2.597 673 Y HA 0.872 5.423 4.550 0.002 0.000 0.340 673 Y C -0.942 175.171 175.900 0.355 0.000 1.097 673 Y CA -1.306 56.832 58.100 0.063 0.000 1.037 673 Y CB 2.200 40.761 38.460 0.169 0.000 1.305 673 Y HN 0.696 nan 8.280 nan 0.000 0.463 674 E N 1.464 121.998 120.200 0.556 0.000 2.287 674 E HA 0.718 5.069 4.350 0.002 0.000 0.274 674 E C -1.853 174.957 176.600 0.350 0.000 0.896 674 E CA -0.924 55.728 56.400 0.419 0.000 0.788 674 E CB 1.817 31.717 29.700 0.334 0.000 1.244 674 E HN 1.043 nan 8.360 nan 0.000 0.408 675 A N 4.536 127.551 122.820 0.326 0.000 2.288 675 A HA 0.639 4.960 4.320 0.002 0.000 0.320 675 A C -0.778 176.918 177.584 0.188 0.000 1.217 675 A CA -0.488 51.686 52.037 0.229 0.000 0.840 675 A CB 0.809 19.919 19.000 0.183 0.000 1.179 675 A HN 0.661 nan 8.150 nan 0.000 0.504 676 E N 1.838 122.128 120.200 0.151 0.000 2.390 676 E HA 0.695 5.046 4.350 0.002 0.000 0.277 676 E C -1.719 174.943 176.600 0.103 0.000 0.939 676 E CA -0.700 55.770 56.400 0.118 0.000 0.769 676 E CB 1.863 31.622 29.700 0.098 0.000 1.251 676 E HN 0.612 nan 8.360 nan 0.000 0.450 677 I N 1.357 121.975 120.570 0.079 0.000 2.619 677 I HA 0.517 4.689 4.170 0.002 0.000 0.292 677 I C -1.707 174.443 176.117 0.055 0.000 1.100 677 I CA -0.341 60.995 61.300 0.059 0.000 1.043 677 I CB 1.935 39.945 38.000 0.017 0.000 1.239 677 I HN 0.802 nan 8.210 nan 0.000 0.420 678 S N 4.873 120.606 115.700 0.056 0.000 2.546 678 S HA 1.004 5.475 4.470 0.002 0.000 0.272 678 S C -0.346 174.284 174.600 0.051 0.000 1.140 678 S CA -0.035 58.210 58.200 0.075 0.000 0.920 678 S CB 1.630 64.887 63.200 0.096 0.000 1.083 678 S HN 1.635 nan 8.310 nan 0.000 0.476 679 G N 1.567 110.396 108.800 0.048 0.000 2.295 679 G HA2 0.032 3.993 3.960 0.002 0.000 0.195 679 G HA3 0.032 3.993 3.960 0.002 0.000 0.195 679 G C -1.092 173.754 174.900 -0.089 0.000 1.269 679 G CA -0.431 44.675 45.100 0.009 0.000 1.170 679 G HN 1.022 nan 8.290 nan 0.000 0.511 680 E N 0.207 120.356 120.200 -0.086 0.000 2.217 680 E HA 0.428 4.779 4.350 0.002 0.000 0.279 680 E C 0.677 177.164 176.600 -0.188 0.000 1.068 680 E CA -0.544 55.786 56.400 -0.116 0.000 0.882 680 E CB 0.684 30.353 29.700 -0.052 0.000 1.039 680 E HN 0.346 nan 8.360 nan 0.000 0.418 681 L N 4.226 125.272 121.223 -0.296 0.000 2.470 681 L HA 0.412 4.753 4.340 0.002 0.000 0.219 681 L C 0.121 176.867 176.870 -0.207 0.000 1.071 681 L CA 0.837 55.402 54.840 -0.457 0.000 0.850 681 L CB 0.187 41.583 42.059 -1.105 0.000 1.040 681 L HN 0.626 nan 8.230 nan 0.000 0.475 682 A N -2.466 120.360 122.820 0.011 0.000 2.564 682 A HA 0.576 4.897 4.320 0.002 0.000 0.291 682 A C -2.166 175.515 177.584 0.162 0.000 1.102 682 A CA -0.529 51.600 52.037 0.153 0.000 0.660 682 A CB -0.195 19.011 19.000 0.342 0.000 1.283 682 A HN -0.128 nan 8.150 nan 0.000 0.430 683 P HA -0.149 nan 4.420 nan 0.000 0.219 683 P C 1.114 178.470 177.300 0.094 0.000 1.158 683 P CA 2.613 65.771 63.100 0.097 0.000 0.895 683 P CB 0.208 31.957 31.700 0.081 0.000 0.792 684 G N -3.843 105.050 108.800 0.155 0.000 3.805 684 G HA2 0.162 4.123 3.960 0.002 0.000 0.290 684 G HA3 0.162 4.123 3.960 0.002 0.000 0.290 684 G C -1.202 173.828 174.900 0.217 0.000 1.077 684 G CA -0.148 44.989 45.100 0.062 0.000 0.852 684 G HN 0.110 nan 8.290 nan 0.000 0.531 685 W N 1.853 123.191 121.300 0.063 0.000 2.499 685 W HA 0.599 5.260 4.660 0.002 0.000 0.320 685 W C -0.912 175.566 176.519 -0.068 0.000 1.010 685 W CA -1.542 55.852 57.345 0.080 0.000 1.267 685 W CB 1.256 30.763 29.460 0.078 0.000 1.316 685 W HN -0.111 nan 8.180 nan 0.000 0.431 686 Q N 4.196 123.988 119.800 -0.014 0.000 2.266 686 Q HA 0.664 5.006 4.340 0.002 0.000 0.261 686 Q C -0.564 175.296 176.000 -0.234 0.000 0.985 686 Q CA -0.823 54.769 55.803 -0.353 0.000 0.873 686 Q CB 2.662 30.863 28.738 -0.896 0.000 1.306 686 Q HN 0.417 nan 8.270 nan 0.000 0.447 687 V N -0.548 119.293 119.914 -0.123 0.000 2.876 687 V HA 0.602 4.724 4.120 0.002 0.000 0.312 687 V C -0.844 175.444 176.094 0.324 0.000 1.085 687 V CA -1.063 61.315 62.300 0.131 0.000 0.945 687 V CB 1.972 33.772 31.823 -0.038 0.000 1.017 687 V HN 0.774 nan 8.190 nan 0.000 0.428 688 Q N 2.036 122.068 119.800 0.387 0.000 2.320 688 Q HA 0.809 5.150 4.340 0.002 0.000 0.268 688 Q C -0.816 175.274 176.000 0.150 0.000 1.023 688 Q CA -0.241 55.701 55.803 0.231 0.000 0.744 688 Q CB 1.599 30.455 28.738 0.196 0.000 1.246 688 Q HN 1.359 nan 8.270 nan 0.000 0.462 689 A N 2.487 125.356 122.820 0.083 0.000 2.423 689 A HA 1.051 5.372 4.320 0.002 0.000 0.304 689 A C -0.481 177.139 177.584 0.060 0.000 1.104 689 A CA -0.206 51.855 52.037 0.041 0.000 0.757 689 A CB 1.962 20.978 19.000 0.026 0.000 1.313 689 A HN 0.849 nan 8.150 nan 0.000 0.423 690 G N -1.351 107.488 108.800 0.064 0.000 2.576 690 G HA2 0.543 4.504 3.960 0.002 0.000 0.290 690 G HA3 0.543 4.504 3.960 0.002 0.000 0.290 690 G C -2.259 172.739 174.900 0.164 0.000 1.442 690 G CA -0.351 44.814 45.100 0.108 0.000 0.792 690 G HN 1.394 nan 8.290 nan 0.000 0.491 691 Y N 0.254 120.587 120.300 0.054 0.000 2.470 691 Y HA 0.729 5.280 4.550 0.002 0.000 0.341 691 Y C -0.707 175.231 175.900 0.064 0.000 1.021 691 Y CA -0.713 57.424 58.100 0.061 0.000 1.025 691 Y CB 2.478 40.994 38.460 0.093 0.000 1.266 691 Y HN 0.663 nan 8.280 nan 0.000 0.448 692 T N 4.722 119.213 114.554 -0.105 0.000 2.928 692 T HA 0.260 4.612 4.350 0.002 0.000 0.296 692 T C -1.805 172.780 174.700 -0.191 0.000 1.000 692 T CA -0.592 61.493 62.100 -0.024 0.000 0.989 692 T CB 0.844 69.673 68.868 -0.065 0.000 1.005 692 T HN 0.694 nan 8.240 nan 0.000 0.442 693 H N 2.434 121.312 119.070 -0.321 0.000 2.472 693 H HA 0.714 5.271 4.556 0.002 0.000 0.338 693 H C -0.517 174.645 175.328 -0.278 0.000 1.133 693 H CA -0.547 55.252 56.048 -0.415 0.000 1.216 693 H CB 0.880 30.116 29.762 -0.877 0.000 1.497 693 H HN 0.649 nan 8.280 nan 0.000 0.500 694 K N 3.920 123.887 120.400 -0.722 0.000 2.527 694 K HA 0.526 4.847 4.320 0.002 0.000 0.260 694 K C -1.977 174.289 176.600 -0.558 0.000 0.937 694 K CA -0.645 55.328 56.287 -0.522 0.000 0.826 694 K CB 1.319 33.695 32.500 -0.205 0.000 1.359 694 K HN 0.518 nan 8.250 nan 0.000 0.434 695 I N 3.023 123.373 120.570 -0.365 0.000 2.534 695 I HA 0.417 4.588 4.170 0.002 0.000 0.288 695 I C -1.067 174.945 176.117 -0.175 0.000 1.077 695 I CA -0.976 60.181 61.300 -0.239 0.000 1.051 695 I CB 1.902 39.817 38.000 -0.142 0.000 1.234 695 I HN 0.699 nan 8.210 nan 0.000 0.425 696 I N 6.878 127.331 120.570 -0.194 0.000 2.362 696 I HA 0.490 4.661 4.170 0.002 0.000 0.289 696 I C -0.607 175.423 176.117 -0.145 0.000 0.994 696 I CA -0.339 60.855 61.300 -0.177 0.000 1.158 696 I CB 0.558 38.394 38.000 -0.274 0.000 1.315 696 I HN 0.629 nan 8.210 nan 0.000 0.451 697 R N 4.791 125.231 120.500 -0.100 0.000 2.832 697 R HA 0.457 4.798 4.340 0.002 0.000 0.271 697 R C -1.069 175.194 176.300 -0.062 0.000 0.996 697 R CA -1.061 54.995 56.100 -0.073 0.000 0.977 697 R CB 1.133 31.403 30.300 -0.050 0.000 1.168 697 R HN 0.474 nan 8.270 nan 0.000 0.482 698 D N 1.003 121.374 120.400 -0.049 0.000 2.382 698 D HA -0.057 4.584 4.640 0.002 0.000 0.240 698 D C 0.846 177.126 176.300 -0.033 0.000 1.146 698 D CA 0.251 54.230 54.000 -0.036 0.000 0.897 698 D CB 0.613 41.396 40.800 -0.028 0.000 1.197 698 D HN 0.502 nan 8.370 nan 0.000 0.432 699 D N 0.411 120.796 120.400 -0.026 0.000 2.973 699 D HA -0.276 4.365 4.640 0.002 0.000 0.203 699 D C 1.545 177.833 176.300 -0.021 0.000 1.096 699 D CA 2.648 56.635 54.000 -0.021 0.000 0.876 699 D CB -0.215 40.578 40.800 -0.012 0.000 0.979 699 D HN 0.389 nan 8.370 nan 0.000 0.495 700 S N -2.272 113.417 115.700 -0.019 0.000 2.593 700 S HA 0.328 4.799 4.470 0.002 0.000 0.217 700 S C 1.643 176.233 174.600 -0.017 0.000 0.966 700 S CA 0.904 59.094 58.200 -0.016 0.000 0.914 700 S CB 0.770 63.961 63.200 -0.015 0.000 0.776 700 S HN 0.624 nan 8.310 nan 0.000 0.523 701 G N 1.610 110.397 108.800 -0.021 0.000 2.176 701 G HA2 -0.288 3.673 3.960 0.002 0.000 0.232 701 G HA3 -0.288 3.673 3.960 0.002 0.000 0.232 701 G C -0.030 174.861 174.900 -0.014 0.000 0.986 701 G CA 0.055 45.144 45.100 -0.018 0.000 0.643 701 G HN 0.935 nan 8.290 nan 0.000 0.522 702 K N 1.389 121.779 120.400 -0.017 0.000 2.298 702 K HA 0.553 4.874 4.320 0.002 0.000 0.280 702 K C 0.462 177.052 176.600 -0.017 0.000 1.032 702 K CA -0.479 55.802 56.287 -0.011 0.000 0.958 702 K CB 0.751 33.239 32.500 -0.019 0.000 0.978 702 K HN 0.154 nan 8.250 nan 0.000 0.472 703 K N 1.939 122.343 120.400 0.008 0.000 2.355 703 K HA 0.186 4.507 4.320 0.002 0.000 0.270 703 K C -0.703 175.860 176.600 -0.061 0.000 1.003 703 K CA -0.447 55.833 56.287 -0.011 0.000 0.957 703 K CB 1.204 33.750 32.500 0.077 0.000 0.939 703 K HN 0.372 nan 8.250 nan 0.000 0.482 704 V N 0.812 120.644 119.914 -0.136 0.000 3.114 704 V HA 0.052 4.173 4.120 0.002 0.000 0.308 704 V C -0.599 175.340 176.094 -0.259 0.000 1.168 704 V CA -0.731 61.470 62.300 -0.165 0.000 1.015 704 V CB 2.145 33.882 31.823 -0.143 0.000 1.050 704 V HN 0.989 nan 8.190 nan 0.000 0.433 705 S N 0.709 116.262 115.700 -0.245 0.000 3.491 705 S HA -0.214 4.257 4.470 0.002 0.000 0.371 705 S C 1.352 175.672 174.600 -0.467 0.000 0.980 705 S CA 1.163 59.162 58.200 -0.335 0.000 1.204 705 S CB -1.378 61.557 63.200 -0.442 0.000 0.915 705 S HN 1.366 nan 8.310 nan 0.000 0.482 706 T N -2.698 111.572 114.554 -0.473 0.000 3.035 706 T HA -0.102 4.249 4.350 0.002 0.000 0.268 706 T C 1.182 175.396 174.700 -0.811 0.000 1.109 706 T CA 0.826 62.404 62.100 -0.871 0.000 1.119 706 T CB -0.371 67.739 68.868 -1.263 0.000 0.900 706 T HN 0.767 nan 8.240 nan 0.000 0.503 707 W N 1.776 122.718 121.300 -0.598 0.000 2.519 707 W HA 0.172 4.833 4.660 0.002 0.000 0.266 707 W C 0.636 176.912 176.519 -0.407 0.000 1.253 707 W CA 0.130 57.254 57.345 -0.368 0.000 1.274 707 W CB 0.122 29.494 29.460 -0.146 0.000 1.114 707 W HN 0.327 nan 8.180 nan 0.000 0.596 708 E N 2.574 122.350 120.200 -0.706 0.000 2.259 708 E HA 0.094 4.445 4.350 0.002 0.000 0.281 708 E C -2.142 174.082 176.600 -0.627 0.000 1.037 708 E CA -2.122 53.789 56.400 -0.814 0.000 0.854 708 E CB 1.050 30.066 29.700 -1.140 0.000 1.051 708 E HN -0.177 nan 8.360 nan 0.000 0.409 709 P HA -0.009 nan 4.420 nan 0.000 0.271 709 P C -0.153 176.898 177.300 -0.415 0.000 1.218 709 P CA 0.214 63.025 63.100 -0.482 0.000 0.780 709 P CB 0.866 32.242 31.700 -0.539 0.000 0.901 710 Q N 0.384 119.991 119.800 -0.321 0.000 2.230 710 Q HA -0.064 4.277 4.340 0.002 0.000 0.202 710 Q C -0.337 175.503 176.000 -0.267 0.000 0.963 710 Q CA 1.327 56.958 55.803 -0.288 0.000 0.866 710 Q CB 0.094 28.748 28.738 -0.139 0.000 0.931 710 Q HN 0.614 nan 8.270 nan 0.000 0.452 711 D N -0.135 120.106 120.400 -0.264 0.000 2.780 711 D HA 0.211 4.852 4.640 0.002 0.000 0.242 711 D C -1.073 174.892 176.300 -0.560 0.000 1.135 711 D CA -0.553 53.275 54.000 -0.286 0.000 0.859 711 D CB 1.405 42.235 40.800 0.051 0.000 1.530 711 D HN -0.009 nan 8.370 nan 0.000 0.493 712 Q N 0.855 120.272 119.800 -0.638 0.000 2.416 712 Q HA 0.741 5.082 4.340 0.002 0.000 0.281 712 Q C -1.834 173.839 176.000 -0.546 0.000 1.067 712 Q CA -1.281 54.167 55.803 -0.592 0.000 0.809 712 Q CB 2.416 30.867 28.738 -0.477 0.000 1.418 712 Q HN 0.420 nan 8.270 nan 0.000 0.411 713 L N 0.675 121.734 121.223 -0.273 0.000 2.410 713 L HA 0.709 5.050 4.340 0.002 0.000 0.270 713 L C -1.575 175.226 176.870 -0.116 0.000 0.983 713 L CA -0.025 54.763 54.840 -0.085 0.000 0.822 713 L CB 2.681 44.808 42.059 0.114 0.000 1.285 713 L HN 0.762 nan 8.230 nan 0.000 0.409 714 S N 5.033 120.675 115.700 -0.097 0.000 2.532 714 S HA 0.772 5.243 4.470 0.002 0.000 0.299 714 S C -1.338 173.129 174.600 -0.222 0.000 1.105 714 S CA -0.463 57.621 58.200 -0.193 0.000 1.018 714 S CB 1.422 64.555 63.200 -0.111 0.000 1.021 714 S HN 0.697 nan 8.310 nan 0.000 0.483 715 L N 4.402 125.349 121.223 -0.461 0.000 2.441 715 L HA 0.630 4.971 4.340 0.002 0.000 0.270 715 L C -2.146 174.305 176.870 -0.698 0.000 0.973 715 L CA -0.539 54.096 54.840 -0.343 0.000 0.842 715 L CB 0.938 42.933 42.059 -0.107 0.000 1.239 715 L HN 0.638 nan 8.230 nan 0.000 0.406 716 Y N 2.910 123.235 120.300 0.041 0.000 2.350 716 Y HA 0.659 5.210 4.550 0.002 0.000 0.338 716 Y C 0.229 176.319 175.900 0.317 0.000 0.961 716 Y CA -0.607 57.535 58.100 0.071 0.000 1.100 716 Y CB 2.410 40.755 38.460 -0.192 0.000 1.179 716 Y HN 0.471 nan 8.280 nan 0.000 0.454 717 T N 2.125 117.030 114.554 0.585 0.000 2.906 717 T HA 0.783 5.134 4.350 0.002 0.000 0.295 717 T C -1.040 174.011 174.700 0.585 0.000 1.061 717 T CA -0.566 61.864 62.100 0.549 0.000 1.000 717 T CB 0.960 70.111 68.868 0.472 0.000 1.103 717 T HN 0.718 nan 8.240 nan 0.000 0.486 718 S N 2.356 118.318 115.700 0.437 0.000 2.579 718 S HA 0.753 5.224 4.470 0.002 0.000 0.272 718 S C -1.977 172.789 174.600 0.278 0.000 1.141 718 S CA -0.783 57.591 58.200 0.289 0.000 0.843 718 S CB 1.871 65.196 63.200 0.208 0.000 1.122 718 S HN 0.776 nan 8.310 nan 0.000 0.468 719 Y N 1.021 121.279 120.300 -0.070 0.000 2.361 719 Y HA 0.516 5.068 4.550 0.002 0.000 0.328 719 Y C -1.012 174.684 175.900 -0.339 0.000 1.044 719 Y CA -0.806 57.147 58.100 -0.245 0.000 1.085 719 Y CB 1.552 39.691 38.460 -0.534 0.000 1.194 719 Y HN 0.790 nan 8.280 nan 0.000 0.438 720 K N 6.837 126.861 120.400 -0.627 0.000 2.263 720 K HA 0.219 4.540 4.320 0.002 0.000 0.282 720 K C -0.784 175.325 176.600 -0.819 0.000 1.089 720 K CA -0.145 55.814 56.287 -0.547 0.000 0.907 720 K CB -0.012 32.319 32.500 -0.282 0.000 1.148 720 K HN 0.588 nan 8.250 nan 0.000 0.470 721 F N 1.930 121.543 119.950 -0.562 0.000 2.532 721 F HA 0.071 4.599 4.527 0.002 0.000 0.323 721 F C 1.444 177.084 175.800 -0.266 0.000 1.234 721 F CA 0.576 58.302 58.000 -0.456 0.000 1.323 721 F CB 0.445 39.324 39.000 -0.201 0.000 1.183 721 F HN 0.205 nan 8.300 nan 0.000 0.589 722 K N -0.086 120.361 120.400 0.077 0.000 2.295 722 K HA 0.544 4.865 4.320 0.002 0.000 0.239 722 K C 0.603 177.229 176.600 0.044 0.000 0.991 722 K CA -0.206 56.100 56.287 0.030 0.000 0.845 722 K CB 1.659 34.180 32.500 0.035 0.000 1.197 722 K HN 0.742 nan 8.250 nan 0.000 0.441 723 G N 1.021 109.832 108.800 0.019 0.000 2.660 723 G HA2 -0.454 3.507 3.960 0.002 0.000 0.321 723 G HA3 -0.454 3.507 3.960 0.002 0.000 0.321 723 G C 0.991 175.893 174.900 0.003 0.000 1.246 723 G CA 0.923 46.030 45.100 0.011 0.000 1.000 723 G HN 0.719 nan 8.290 nan 0.000 0.550 724 A N -0.751 122.069 122.820 0.000 0.000 1.917 724 A HA 0.144 4.465 4.320 0.002 0.000 0.219 724 A C 2.342 179.923 177.584 -0.005 0.000 1.182 724 A CA 2.205 54.239 52.037 -0.005 0.000 0.633 724 A CB -0.334 18.659 19.000 -0.012 0.000 0.819 724 A HN 1.010 nan 8.150 nan 0.000 0.448 725 L N 0.580 121.788 121.223 -0.025 0.000 2.851 725 L HA 0.070 4.411 4.340 0.002 0.000 0.237 725 L C 0.850 177.726 176.870 0.010 0.000 1.257 725 L CA 0.243 55.060 54.840 -0.037 0.000 1.061 725 L CB -0.047 41.877 42.059 -0.225 0.000 1.372 725 L HN 0.544 nan 8.230 nan 0.000 0.493 726 D N -1.340 119.052 120.400 -0.014 0.000 2.349 726 D HA -0.150 4.491 4.640 0.002 0.000 0.224 726 D C 1.517 177.746 176.300 -0.119 0.000 1.029 726 D CA 0.622 54.600 54.000 -0.036 0.000 0.879 726 D CB 0.257 41.035 40.800 -0.037 0.000 0.906 726 D HN 0.075 nan 8.370 nan 0.000 0.528 727 K N -0.841 119.424 120.400 -0.226 0.000 2.379 727 K HA 0.214 4.535 4.320 0.002 0.000 0.194 727 K C -0.053 176.186 176.600 -0.602 0.000 1.031 727 K CA -0.303 55.674 56.287 -0.517 0.000 1.037 727 K CB 0.354 32.395 32.500 -0.765 0.000 0.824 727 K HN 0.101 nan 8.250 nan 0.000 0.516 728 L N 1.092 122.198 121.223 -0.195 0.000 2.292 728 L HA 0.290 4.631 4.340 0.002 0.000 0.284 728 L C -0.931 176.029 176.870 0.150 0.000 1.065 728 L CA 0.413 55.324 54.840 0.119 0.000 0.806 728 L CB 1.316 43.549 42.059 0.290 0.000 1.175 728 L HN -0.100 nan 8.230 nan 0.000 0.431 729 T N 4.789 119.403 114.554 0.100 0.000 2.809 729 T HA 0.563 4.914 4.350 0.002 0.000 0.284 729 T C -0.517 174.232 174.700 0.080 0.000 0.992 729 T CA -0.404 61.712 62.100 0.027 0.000 0.957 729 T CB 1.367 70.214 68.868 -0.036 0.000 0.942 729 T HN 0.363 nan 8.240 nan 0.000 0.439 730 V N 2.657 122.618 119.914 0.079 0.000 2.547 730 V HA 0.949 5.070 4.120 0.002 0.000 0.299 730 V C 0.555 176.697 176.094 0.080 0.000 1.040 730 V CA -0.156 62.220 62.300 0.126 0.000 0.913 730 V CB 1.815 33.799 31.823 0.269 0.000 0.992 730 V HN 1.108 nan 8.190 nan 0.000 0.449 731 G N 1.806 110.659 108.800 0.088 0.000 2.623 731 G HA2 0.786 4.747 3.960 0.002 0.000 0.290 731 G HA3 0.786 4.747 3.960 0.002 0.000 0.290 731 G C -0.660 174.387 174.900 0.245 0.000 1.437 731 G CA 0.081 45.279 45.100 0.162 0.000 0.798 731 G HN 1.132 nan 8.290 nan 0.000 0.488 732 G N -2.054 107.000 108.800 0.422 0.000 2.650 732 G HA2 0.997 4.958 3.960 0.002 0.000 0.310 732 G HA3 0.997 4.958 3.960 0.002 0.000 0.310 732 G C -0.440 174.815 174.900 0.593 0.000 1.270 732 G CA 0.149 45.549 45.100 0.500 0.000 0.810 732 G HN 2.040 nan 8.290 nan 0.000 0.493 733 G N -1.978 107.065 108.800 0.405 0.000 2.377 733 G HA2 0.747 4.708 3.960 0.002 0.000 0.297 733 G HA3 0.747 4.708 3.960 0.002 0.000 0.297 733 G C -1.191 173.739 174.900 0.049 0.000 1.547 733 G CA 0.545 45.745 45.100 0.166 0.000 0.833 733 G HN 1.884 nan 8.290 nan 0.000 0.583 734 A N 0.527 123.243 122.820 -0.173 0.000 2.454 734 A HA 0.966 5.288 4.320 0.002 0.000 0.302 734 A C -0.348 177.154 177.584 -0.136 0.000 1.079 734 A CA -0.713 51.333 52.037 0.014 0.000 0.731 734 A CB 2.108 21.234 19.000 0.209 0.000 1.299 734 A HN 0.963 nan 8.150 nan 0.000 0.413 735 R N 0.366 120.868 120.500 0.002 0.000 2.686 735 R HA 0.567 4.908 4.340 0.002 0.000 0.286 735 R C -1.879 174.323 176.300 -0.164 0.000 0.969 735 R CA -0.437 55.593 56.100 -0.117 0.000 0.898 735 R CB 1.578 31.772 30.300 -0.177 0.000 1.183 735 R HN 0.854 nan 8.270 nan 0.000 0.456 736 W N 4.455 125.368 121.300 -0.644 0.000 2.962 736 W HA 0.369 5.030 4.660 0.002 0.000 0.341 736 W C -1.632 174.372 176.519 -0.857 0.000 1.155 736 W CA -0.450 56.246 57.345 -1.081 0.000 1.165 736 W CB 1.451 29.733 29.460 -1.962 0.000 1.435 736 W HN 0.648 nan 8.180 nan 0.000 0.546 737 Q N 3.277 121.869 119.800 -2.012 0.000 2.501 737 Q HA 0.734 5.075 4.340 0.002 0.000 0.288 737 Q C -0.251 174.381 176.000 -2.281 0.000 1.051 737 Q CA -1.085 53.504 55.803 -2.025 0.000 0.788 737 Q CB 1.899 29.940 28.738 -1.162 0.000 1.469 737 Q HN 0.712 nan 8.270 nan 0.000 0.416 738 G N 0.836 108.679 108.800 -1.596 0.000 2.535 738 G HA2 0.245 4.206 3.960 0.002 0.000 0.282 738 G HA3 0.245 4.206 3.960 0.002 0.000 0.282 738 G C -0.746 173.936 174.900 -0.363 0.000 1.350 738 G CA -0.859 43.780 45.100 -0.768 0.000 1.039 738 G HN 0.550 nan 8.290 nan 0.000 0.509 739 K N -0.014 120.339 120.400 -0.080 0.000 2.466 739 K HA 0.202 4.523 4.320 0.002 0.000 0.278 739 K C 0.436 177.094 176.600 0.096 0.000 1.048 739 K CA 0.284 56.624 56.287 0.088 0.000 1.088 739 K CB 0.189 32.802 32.500 0.188 0.000 0.884 739 K HN 0.563 nan 8.250 nan 0.000 0.478 740 S N 3.089 118.814 115.700 0.042 0.000 2.638 740 S HA 0.801 5.272 4.470 0.002 0.000 0.302 740 S C -1.216 173.617 174.600 0.388 0.000 1.096 740 S CA -0.984 57.185 58.200 -0.052 0.000 0.953 740 S CB 1.070 63.938 63.200 -0.553 0.000 1.107 740 S HN 0.733 nan 8.310 nan 0.000 0.503 741 W N -0.527 120.911 121.300 0.231 0.000 3.066 741 W HA 0.753 5.414 4.660 0.002 0.000 0.330 741 W C -1.878 174.868 176.519 0.379 0.000 1.253 741 W CA -0.743 56.822 57.345 0.367 0.000 1.187 741 W CB 0.816 30.393 29.460 0.194 0.000 1.434 741 W HN 0.625 nan 8.180 nan 0.000 0.572 742 Q N 1.652 121.748 119.800 0.493 0.000 2.389 742 Q HA 0.469 4.810 4.340 0.002 0.000 0.277 742 Q C -1.495 174.716 176.000 0.352 0.000 1.082 742 Q CA -1.166 54.788 55.803 0.250 0.000 0.810 742 Q CB 2.654 31.385 28.738 -0.013 0.000 1.374 742 Q HN 0.715 nan 8.270 nan 0.000 0.422 743 M N 2.609 122.386 119.600 0.294 0.000 2.061 743 M HA 0.353 4.834 4.480 0.002 0.000 0.346 743 M C -0.833 175.772 176.300 0.509 0.000 1.112 743 M CA -0.715 54.796 55.300 0.352 0.000 1.021 743 M CB 0.760 33.450 32.600 0.149 0.000 1.530 743 M HN 0.369 nan 8.290 nan 0.000 0.437 744 V N 2.899 123.162 119.914 0.581 0.000 2.815 744 V HA 0.613 4.734 4.120 0.002 0.000 0.314 744 V C -1.529 174.767 176.094 0.337 0.000 1.064 744 V CA -0.911 61.656 62.300 0.445 0.000 0.952 744 V CB 1.816 33.722 31.823 0.137 0.000 1.020 744 V HN 0.703 nan 8.190 nan 0.000 0.439 745 Y N 3.587 123.756 120.300 -0.218 0.000 2.369 745 Y HA 0.480 5.031 4.550 0.002 0.000 0.337 745 Y C 0.383 176.092 175.900 -0.320 0.000 0.961 745 Y CA -0.616 57.080 58.100 -0.673 0.000 1.186 745 Y CB 1.064 38.847 38.460 -1.128 0.000 1.139 745 Y HN 0.915 nan 8.280 nan 0.000 0.494 746 N N 5.522 123.745 118.700 -0.795 0.000 2.402 746 N HA -0.059 4.683 4.740 0.002 0.000 0.259 746 N C 0.556 175.436 175.510 -1.051 0.000 1.167 746 N CA 0.457 52.846 53.050 -1.102 0.000 0.949 746 N CB 0.268 37.997 38.487 -1.262 0.000 1.212 746 N HN 0.873 nan 8.380 nan 0.000 0.493 747 N N 4.697 123.038 118.700 -0.598 0.000 2.106 747 N HA -0.007 4.734 4.740 0.002 0.000 0.188 747 N C -1.159 174.154 175.510 -0.329 0.000 1.029 747 N CA 0.930 53.794 53.050 -0.310 0.000 0.848 747 N CB -0.524 37.907 38.487 -0.094 0.000 1.007 747 N HN 0.467 nan 8.380 nan 0.000 0.423 748 P HA -0.016 nan 4.420 nan 0.000 0.217 748 P C 0.783 177.903 177.300 -0.300 0.000 1.150 748 P CA 1.304 64.229 63.100 -0.292 0.000 0.832 748 P CB 0.015 31.544 31.700 -0.286 0.000 0.787 749 R N -1.050 119.209 120.500 -0.402 0.000 2.310 749 R HA 0.225 4.566 4.340 0.002 0.000 0.202 749 R C 0.191 176.276 176.300 -0.358 0.000 0.933 749 R CA 0.147 56.041 56.100 -0.343 0.000 1.054 749 R CB -0.416 29.684 30.300 -0.333 0.000 0.985 749 R HN -0.037 nan 8.270 nan 0.000 0.489 750 S N 1.449 116.868 115.700 -0.470 0.000 3.572 750 S HA -0.193 4.278 4.470 0.002 0.000 0.394 750 S C -0.413 173.914 174.600 -0.454 0.000 0.923 750 S CA 1.168 59.114 58.200 -0.424 0.000 1.291 750 S CB -1.116 62.001 63.200 -0.138 0.000 0.914 750 S HN 0.692 nan 8.310 nan 0.000 0.545 751 R N -1.524 118.457 120.500 -0.864 0.000 2.664 751 R HA 0.515 4.856 4.340 0.002 0.000 0.260 751 R C -1.353 174.611 176.300 -0.560 0.000 1.062 751 R CA -1.205 54.619 56.100 -0.461 0.000 0.902 751 R CB 0.389 30.532 30.300 -0.262 0.000 1.258 751 R HN 0.160 nan 8.270 nan 0.000 0.465 752 W N 1.448 122.721 121.300 -0.044 0.000 2.202 752 W HA 0.358 5.019 4.660 0.002 0.000 0.332 752 W C 0.132 176.677 176.519 0.044 0.000 1.263 752 W CA 0.163 57.546 57.345 0.063 0.000 1.223 752 W CB 0.948 30.494 29.460 0.143 0.000 1.128 752 W HN 0.463 nan 8.180 nan 0.000 0.573 753 E N 1.369 121.812 120.200 0.406 0.000 2.272 753 E HA 0.179 4.530 4.350 0.002 0.000 0.269 753 E C -1.095 175.732 176.600 0.379 0.000 0.877 753 E CA -1.270 55.320 56.400 0.317 0.000 0.755 753 E CB 1.939 31.840 29.700 0.334 0.000 1.192 753 E HN 0.193 nan 8.360 nan 0.000 0.422 754 K N 2.710 123.244 120.400 0.222 0.000 2.339 754 K HA 0.246 4.567 4.320 0.002 0.000 0.286 754 K C -1.332 175.367 176.600 0.166 0.000 1.050 754 K CA -0.001 56.416 56.287 0.216 0.000 0.956 754 K CB 0.393 32.935 32.500 0.069 0.000 0.990 754 K HN 0.289 nan 8.250 nan 0.000 0.475 755 F N 2.590 122.644 119.950 0.172 0.000 2.449 755 F HA 0.298 4.826 4.527 0.002 0.000 0.342 755 F C -0.257 175.681 175.800 0.230 0.000 1.127 755 F CA -0.195 57.879 58.000 0.123 0.000 0.975 755 F CB 1.872 40.879 39.000 0.012 0.000 1.146 755 F HN 0.438 nan 8.300 nan 0.000 0.444 756 S N 2.473 118.347 115.700 0.290 0.000 2.578 756 S HA 0.497 4.968 4.470 0.002 0.000 0.301 756 S C -0.978 173.858 174.600 0.392 0.000 1.091 756 S CA -0.759 57.658 58.200 0.362 0.000 1.032 756 S CB 1.793 65.121 63.200 0.213 0.000 1.064 756 S HN 0.486 nan 8.310 nan 0.000 0.508 757 Q N 2.059 122.113 119.800 0.423 0.000 2.357 757 Q HA 0.280 4.621 4.340 0.002 0.000 0.266 757 Q C -0.816 175.326 176.000 0.238 0.000 1.021 757 Q CA -0.269 55.746 55.803 0.353 0.000 0.784 757 Q CB 0.455 29.381 28.738 0.313 0.000 1.243 757 Q HN 0.628 nan 8.270 nan 0.000 0.465 758 E N 1.788 122.122 120.200 0.223 0.000 2.418 758 E HA 0.009 4.361 4.350 0.002 0.000 0.261 758 E C -0.474 176.241 176.600 0.193 0.000 1.070 758 E CA 0.223 56.733 56.400 0.184 0.000 0.931 758 E CB 0.323 30.131 29.700 0.179 0.000 0.954 758 E HN 0.742 nan 8.360 nan 0.000 0.439 759 D N 1.029 121.501 120.400 0.121 0.000 2.629 759 D HA -0.091 4.551 4.640 0.002 0.000 0.228 759 D C -0.912 175.469 176.300 0.136 0.000 1.127 759 D CA 0.397 54.401 54.000 0.005 0.000 0.855 759 D CB 0.086 41.012 40.800 0.209 0.000 1.180 759 D HN 0.387 nan 8.370 nan 0.000 0.484 760 Y N -0.457 119.686 120.300 -0.261 0.000 2.544 760 Y HA 0.548 5.099 4.550 0.002 0.000 0.342 760 Y C -1.650 174.163 175.900 -0.145 0.000 1.062 760 Y CA -2.000 56.045 58.100 -0.090 0.000 1.023 760 Y CB 0.575 38.989 38.460 -0.077 0.000 1.308 760 Y HN 0.373 nan 8.280 nan 0.000 0.457 761 W N 3.752 125.139 121.300 0.145 0.000 2.316 761 W HA 0.692 5.353 4.660 0.002 0.000 0.321 761 W C -0.949 175.610 176.519 0.067 0.000 1.203 761 W CA -0.634 56.750 57.345 0.066 0.000 1.214 761 W CB 1.350 30.852 29.460 0.070 0.000 1.169 761 W HN 0.450 nan 8.180 nan 0.000 0.561 762 L N 3.946 125.311 121.223 0.237 0.000 2.319 762 L HA 0.507 4.848 4.340 0.002 0.000 0.281 762 L C -0.473 176.564 176.870 0.278 0.000 1.005 762 L CA -1.029 53.947 54.840 0.228 0.000 0.828 762 L CB 0.975 43.094 42.059 0.100 0.000 1.227 762 L HN 0.081 nan 8.230 nan 0.000 0.415 763 V N 1.968 122.083 119.914 0.334 0.000 2.630 763 V HA 0.523 4.644 4.120 0.002 0.000 0.305 763 V C -0.691 175.565 176.094 0.269 0.000 1.046 763 V CA -0.524 61.963 62.300 0.311 0.000 0.934 763 V CB 2.076 34.147 31.823 0.413 0.000 1.003 763 V HN 0.830 nan 8.190 nan 0.000 0.451 764 D N 2.656 123.223 120.400 0.278 0.000 2.570 764 D HA 0.782 5.423 4.640 0.002 0.000 0.244 764 D C -0.935 175.550 176.300 0.309 0.000 1.178 764 D CA -0.604 53.562 54.000 0.277 0.000 0.881 764 D CB 1.872 42.861 40.800 0.315 0.000 1.453 764 D HN 0.327 nan 8.370 nan 0.000 0.447 765 L N -0.454 120.914 121.223 0.241 0.000 2.341 765 L HA 0.764 5.105 4.340 0.002 0.000 0.254 765 L C -0.958 175.988 176.870 0.127 0.000 1.040 765 L CA -1.022 53.934 54.840 0.193 0.000 0.837 765 L CB 2.259 44.377 42.059 0.098 0.000 1.425 765 L HN 0.490 nan 8.230 nan 0.000 0.414 766 M N 1.632 121.266 119.600 0.057 0.000 2.490 766 M HA 0.799 5.280 4.480 0.002 0.000 0.286 766 M C -2.390 173.887 176.300 -0.039 0.000 1.185 766 M CA -0.289 54.976 55.300 -0.057 0.000 0.912 766 M CB 2.220 34.678 32.600 -0.236 0.000 1.744 766 M HN 0.735 nan 8.290 nan 0.000 0.494 767 A N 3.652 126.442 122.820 -0.050 0.000 2.577 767 A HA 0.842 5.163 4.320 0.002 0.000 0.297 767 A C -1.749 175.844 177.584 0.014 0.000 1.060 767 A CA -0.745 51.298 52.037 0.010 0.000 0.697 767 A CB 1.853 20.885 19.000 0.054 0.000 1.281 767 A HN 0.939 nan 8.150 nan 0.000 0.402 768 R N 0.952 121.482 120.500 0.051 0.000 2.621 768 R HA 0.652 4.993 4.340 0.002 0.000 0.284 768 R C -2.327 174.053 176.300 0.133 0.000 0.998 768 R CA -0.483 55.652 56.100 0.060 0.000 0.895 768 R CB 1.609 31.908 30.300 -0.002 0.000 1.195 768 R HN 0.861 nan 8.270 nan 0.000 0.450 769 Y N 2.228 122.533 120.300 0.009 0.000 2.373 769 Y HA 0.232 4.783 4.550 0.002 0.000 0.336 769 Y C -0.816 175.089 175.900 0.008 0.000 0.979 769 Y CA -0.669 57.438 58.100 0.011 0.000 1.080 769 Y CB 2.163 40.630 38.460 0.012 0.000 1.190 769 Y HN 0.576 nan 8.280 nan 0.000 0.446 770 Q N 5.821 125.409 119.800 -0.353 0.000 2.678 770 Q HA 0.299 4.640 4.340 0.002 0.000 0.222 770 Q C 0.243 176.175 176.000 -0.113 0.000 1.281 770 Q CA 0.422 56.112 55.803 -0.187 0.000 0.994 770 Q CB -0.247 28.365 28.738 -0.210 0.000 1.452 770 Q HN 0.935 nan 8.270 nan 0.000 0.570 771 I N -0.088 120.566 120.570 0.140 0.000 2.118 771 I HA -0.247 3.924 4.170 0.002 0.000 0.241 771 I C 0.995 177.166 176.117 0.090 0.000 1.070 771 I CA 1.150 62.579 61.300 0.214 0.000 1.327 771 I CB -0.115 37.975 38.000 0.149 0.000 1.034 771 I HN 0.369 nan 8.210 nan 0.000 0.405 772 T N -0.891 113.689 114.554 0.043 0.000 2.940 772 T HA 0.163 4.514 4.350 0.002 0.000 0.288 772 T C 0.221 174.930 174.700 0.015 0.000 1.045 772 T CA -0.518 61.595 62.100 0.022 0.000 1.018 772 T CB 1.695 70.568 68.868 0.008 0.000 1.151 772 T HN 0.058 nan 8.240 nan 0.000 0.529 773 D N 0.583 120.994 120.400 0.019 0.000 2.221 773 D HA -0.080 4.561 4.640 0.002 0.000 0.204 773 D C 1.482 177.816 176.300 0.057 0.000 0.982 773 D CA 1.045 55.060 54.000 0.026 0.000 0.857 773 D CB 0.216 41.033 40.800 0.029 0.000 0.934 773 D HN 0.180 nan 8.370 nan 0.000 0.475 774 K N -0.832 119.620 120.400 0.087 0.000 2.412 774 K HA 0.242 4.563 4.320 0.002 0.000 0.202 774 K C -0.209 176.495 176.600 0.173 0.000 1.102 774 K CA -0.255 56.137 56.287 0.175 0.000 1.027 774 K CB 1.165 33.829 32.500 0.274 0.000 0.931 774 K HN 0.085 nan 8.250 nan 0.000 0.557 775 L N 1.895 123.163 121.223 0.076 0.000 2.376 775 L HA 0.353 4.694 4.340 0.002 0.000 0.275 775 L C -0.590 176.315 176.870 0.057 0.000 0.987 775 L CA -0.506 54.368 54.840 0.057 0.000 0.828 775 L CB 1.662 43.705 42.059 -0.026 0.000 1.249 775 L HN 0.143 nan 8.230 nan 0.000 0.409 776 S N 3.257 118.998 115.700 0.069 0.000 2.648 776 S HA 1.010 5.481 4.470 0.002 0.000 0.305 776 S C -0.565 174.086 174.600 0.084 0.000 1.094 776 S CA -0.428 57.812 58.200 0.066 0.000 0.983 776 S CB 2.033 65.252 63.200 0.033 0.000 1.101 776 S HN 0.971 nan 8.310 nan 0.000 0.514 777 A N 1.188 124.070 122.820 0.104 0.000 2.374 777 A HA 0.819 5.140 4.320 0.002 0.000 0.305 777 A C -0.282 177.358 177.584 0.093 0.000 1.053 777 A CA -0.709 51.392 52.037 0.105 0.000 0.726 777 A CB 1.432 20.502 19.000 0.116 0.000 1.229 777 A HN 0.818 nan 8.150 nan 0.000 0.431 778 S N -0.206 115.533 115.700 0.066 0.000 2.689 778 S HA 0.823 5.294 4.470 0.002 0.000 0.306 778 S C -0.858 173.719 174.600 -0.039 0.000 1.104 778 S CA -0.681 57.526 58.200 0.013 0.000 0.973 778 S CB 1.863 65.048 63.200 -0.025 0.000 1.121 778 S HN 1.628 nan 8.310 nan 0.000 0.523 779 V N 1.467 121.296 119.914 -0.142 0.000 2.777 779 V HA 0.590 4.711 4.120 0.002 0.000 0.306 779 V C -2.081 173.841 176.094 -0.288 0.000 1.112 779 V CA -0.580 61.490 62.300 -0.384 0.000 0.917 779 V CB 1.971 33.537 31.823 -0.429 0.000 1.018 779 V HN 0.928 nan 8.190 nan 0.000 0.426 780 N N 3.890 122.397 118.700 -0.320 0.000 2.354 780 N HA 0.719 5.460 4.740 0.002 0.000 0.287 780 N C -1.242 174.179 175.510 -0.148 0.000 1.016 780 N CA -0.415 52.541 53.050 -0.158 0.000 0.871 780 N CB 2.347 40.793 38.487 -0.069 0.000 1.299 780 N HN 0.530 nan 8.380 nan 0.000 0.482 781 V N 2.415 122.293 119.914 -0.061 0.000 2.384 781 V HA 0.471 4.592 4.120 0.002 0.000 0.287 781 V C -0.497 175.637 176.094 0.066 0.000 1.020 781 V CA -0.856 61.427 62.300 -0.028 0.000 0.850 781 V CB 1.107 32.904 31.823 -0.044 0.000 0.987 781 V HN 0.630 nan 8.190 nan 0.000 0.436 782 N N 3.715 122.468 118.700 0.088 0.000 2.361 782 N HA 0.339 5.080 4.740 0.002 0.000 0.302 782 N C 0.188 175.794 175.510 0.160 0.000 1.074 782 N CA -0.531 52.614 53.050 0.160 0.000 0.850 782 N CB 1.150 39.748 38.487 0.185 0.000 1.228 782 N HN 0.721 nan 8.380 nan 0.000 0.491 783 N N 0.674 119.494 118.700 0.199 0.000 2.696 783 N HA -0.154 4.587 4.740 0.002 0.000 0.256 783 N C 0.383 175.983 175.510 0.149 0.000 1.031 783 N CA 0.185 53.364 53.050 0.215 0.000 0.730 783 N CB -1.038 37.599 38.487 0.249 0.000 0.894 783 N HN 0.368 nan 8.380 nan 0.000 0.544 784 V N -0.115 119.854 119.914 0.092 0.000 2.392 784 V HA -0.211 3.910 4.120 0.002 0.000 0.249 784 V C 1.601 177.540 176.094 -0.258 0.000 1.059 784 V CA 2.093 64.319 62.300 -0.123 0.000 1.051 784 V CB -0.537 31.132 31.823 -0.256 0.000 0.658 784 V HN 0.471 nan 8.190 nan 0.000 0.455 785 F N -0.016 119.993 119.950 0.098 0.000 2.696 785 F HA 0.246 4.775 4.527 0.002 0.000 0.296 785 F C 1.076 176.935 175.800 0.097 0.000 1.181 785 F CA 0.003 58.056 58.000 0.089 0.000 1.411 785 F CB -0.807 38.246 39.000 0.090 0.000 1.014 785 F HN 0.116 nan 8.300 nan 0.000 0.512 786 D N 1.508 122.019 120.400 0.186 0.000 2.739 786 D HA -0.288 4.353 4.640 0.002 0.000 0.230 786 D C 0.468 176.871 176.300 0.172 0.000 1.167 786 D CA 0.575 54.665 54.000 0.151 0.000 0.640 786 D CB -0.662 40.197 40.800 0.098 0.000 1.045 786 D HN 0.201 nan 8.370 nan 0.000 0.421 787 K N 0.385 120.930 120.400 0.241 0.000 2.472 787 K HA 0.116 4.437 4.320 0.002 0.000 0.280 787 K C -0.054 176.677 176.600 0.219 0.000 1.028 787 K CA 0.300 56.730 56.287 0.239 0.000 1.045 787 K CB 0.508 33.178 32.500 0.283 0.000 0.902 787 K HN 0.173 nan 8.250 nan 0.000 0.478 788 T N 4.085 118.706 114.554 0.113 0.000 2.799 788 T HA 0.558 4.909 4.350 0.002 0.000 0.286 788 T C -0.961 173.743 174.700 0.006 0.000 0.973 788 T CA -0.392 61.699 62.100 -0.015 0.000 1.035 788 T CB 0.195 68.978 68.868 -0.141 0.000 0.932 788 T HN 0.570 nan 8.240 nan 0.000 0.469 789 Y N 1.227 121.379 120.300 -0.246 0.000 2.677 789 Y HA 0.647 5.198 4.550 0.002 0.000 0.334 789 Y C -2.383 173.361 175.900 -0.261 0.000 1.196 789 Y CA -2.009 55.866 58.100 -0.375 0.000 1.059 789 Y CB 0.744 38.776 38.460 -0.712 0.000 1.315 789 Y HN 0.590 nan 8.280 nan 0.000 0.455 790 Y N 0.550 120.926 120.300 0.126 0.000 2.360 790 Y HA 0.467 5.018 4.550 0.002 0.000 0.337 790 Y C 1.134 177.244 175.900 0.350 0.000 1.039 790 Y CA -0.150 58.040 58.100 0.151 0.000 1.109 790 Y CB 2.387 40.986 38.460 0.232 0.000 1.201 790 Y HN 0.786 nan 8.280 nan 0.000 0.458 791 T N -2.326 112.454 114.554 0.376 0.000 3.040 791 T HA 0.167 4.518 4.350 0.002 0.000 0.250 791 T C 0.019 175.000 174.700 0.468 0.000 1.058 791 T CA 0.023 62.395 62.100 0.453 0.000 0.988 791 T CB -0.225 68.785 68.868 0.236 0.000 0.993 791 T HN 0.533 nan 8.240 nan 0.000 0.519 792 N N 0.181 119.002 118.700 0.201 0.000 2.406 792 N HA 0.490 5.231 4.740 0.002 0.000 0.283 792 N C -1.987 173.190 175.510 -0.554 0.000 1.074 792 N CA -0.834 52.065 53.050 -0.252 0.000 0.916 792 N CB 1.393 39.771 38.487 -0.182 0.000 1.639 792 N HN 0.250 nan 8.380 nan 0.000 0.485 793 I N 2.433 122.361 120.570 -1.071 0.000 2.534 793 I HA 0.624 4.795 4.170 0.002 0.000 0.288 793 I C 0.889 176.573 176.117 -0.722 0.000 1.077 793 I CA -0.422 60.348 61.300 -0.884 0.000 1.051 793 I CB 2.016 39.493 38.000 -0.871 0.000 1.234 793 I HN 0.939 nan 8.210 nan 0.000 0.425 794 G N 5.063 113.548 108.800 -0.525 0.000 2.339 794 G HA2 -0.267 3.694 3.960 0.002 0.000 0.209 794 G HA3 -0.267 3.694 3.960 0.002 0.000 0.209 794 G C 0.160 174.944 174.900 -0.193 0.000 1.015 794 G CA -0.571 44.331 45.100 -0.330 0.000 0.635 794 G HN 0.470 nan 8.290 nan 0.000 0.499 795 F N 3.252 123.028 119.950 -0.289 0.000 2.519 795 F HA 0.437 4.965 4.527 0.002 0.000 0.381 795 F C 1.044 176.790 175.800 -0.091 0.000 1.076 795 F CA 0.218 58.114 58.000 -0.175 0.000 1.095 795 F CB -0.814 38.177 39.000 -0.016 0.000 1.046 795 F HN 0.394 nan 8.300 nan 0.000 0.559 796 Y N 3.351 123.328 120.300 -0.539 0.000 3.108 796 Y HA -0.308 4.243 4.550 0.002 0.000 0.208 796 Y C 1.043 176.762 175.900 -0.301 0.000 1.245 796 Y CA 0.707 58.523 58.100 -0.474 0.000 1.171 796 Y CB -2.597 35.475 38.460 -0.647 0.000 1.331 796 Y HN 0.753 nan 8.280 nan 0.000 0.534 797 T N -0.706 113.744 114.554 -0.175 0.000 3.704 797 T HA -0.035 4.316 4.350 0.002 0.000 0.388 797 T C 0.109 174.644 174.700 -0.275 0.000 0.763 797 T CA 0.932 62.915 62.100 -0.194 0.000 2.005 797 T CB -1.443 67.373 68.868 -0.086 0.000 1.752 797 T HN 1.241 nan 8.240 nan 0.000 0.747 798 S N -1.374 114.126 115.700 -0.333 0.000 2.688 798 S HA 0.944 5.415 4.470 0.002 0.000 0.275 798 S C -0.870 173.391 174.600 -0.566 0.000 1.175 798 S CA -0.483 57.477 58.200 -0.400 0.000 0.818 798 S CB 2.370 65.456 63.200 -0.190 0.000 1.157 798 S HN 1.522 nan 8.310 nan 0.000 0.482 799 A N 0.339 122.680 122.820 -0.799 0.000 2.556 799 A HA 0.922 5.243 4.320 0.002 0.000 0.294 799 A C -0.699 176.515 177.584 -0.617 0.000 1.091 799 A CA -0.718 50.854 52.037 -0.775 0.000 0.704 799 A CB 1.656 20.090 19.000 -0.943 0.000 1.300 799 A HN 0.996 nan 8.150 nan 0.000 0.406 800 S N -0.587 114.945 115.700 -0.280 0.000 2.549 800 S HA 0.676 5.147 4.470 0.002 0.000 0.280 800 S C -1.618 172.987 174.600 0.009 0.000 1.109 800 S CA -0.257 57.893 58.200 -0.083 0.000 0.905 800 S CB 0.880 64.076 63.200 -0.006 0.000 1.081 800 S HN 0.470 nan 8.310 nan 0.000 0.477 801 Y N 1.229 121.644 120.300 0.192 0.000 2.320 801 Y HA 0.526 5.077 4.550 0.002 0.000 0.324 801 Y C 1.190 176.975 175.900 -0.192 0.000 1.190 801 Y CA -0.230 57.856 58.100 -0.023 0.000 1.215 801 Y CB 0.597 39.064 38.460 0.011 0.000 1.221 801 Y HN 0.790 nan 8.280 nan 0.000 0.486 802 G N 1.393 109.916 108.800 -0.461 0.000 2.569 802 G HA2 0.135 4.096 3.960 0.002 0.000 0.249 802 G HA3 0.135 4.096 3.960 0.002 0.000 0.249 802 G C -0.883 173.724 174.900 -0.489 0.000 1.216 802 G CA -0.768 43.908 45.100 -0.706 0.000 0.845 802 G HN 0.596 nan 8.290 nan 0.000 0.568 803 D N 1.754 122.043 120.400 -0.186 0.000 2.493 803 D HA 0.234 4.875 4.640 0.002 0.000 0.240 803 D C -1.716 174.473 176.300 -0.186 0.000 1.142 803 D CA -0.088 53.775 54.000 -0.229 0.000 0.872 803 D CB 0.752 41.655 40.800 0.172 0.000 1.173 803 D HN 0.070 nan 8.370 nan 0.000 0.467 804 P HA 0.034 nan 4.420 nan 0.000 0.275 804 P C -0.021 177.402 177.300 0.204 0.000 1.270 804 P CA -0.537 62.539 63.100 -0.040 0.000 0.791 804 P CB 0.485 32.190 31.700 0.008 0.000 1.089 805 R N 1.662 122.259 120.500 0.162 0.000 2.583 805 R HA -0.018 4.324 4.340 0.002 0.000 0.274 805 R C -0.353 176.005 176.300 0.098 0.000 0.998 805 R CA 0.746 56.922 56.100 0.126 0.000 1.081 805 R CB -0.760 29.578 30.300 0.064 0.000 0.940 805 R HN 0.675 nan 8.270 nan 0.000 0.413 806 N N 2.327 121.058 118.700 0.051 0.000 2.396 806 N HA 0.372 5.113 4.740 0.002 0.000 0.275 806 N C -1.869 173.587 175.510 -0.090 0.000 1.218 806 N CA -0.936 52.044 53.050 -0.116 0.000 0.812 806 N CB 1.172 39.599 38.487 -0.101 0.000 1.592 806 N HN 0.197 nan 8.380 nan 0.000 0.480 807 L N 0.265 121.400 121.223 -0.147 0.000 2.334 807 L HA 0.705 5.046 4.340 0.002 0.000 0.272 807 L C -0.508 176.287 176.870 -0.126 0.000 1.020 807 L CA -0.675 54.079 54.840 -0.144 0.000 0.812 807 L CB 1.535 43.531 42.059 -0.106 0.000 1.264 807 L HN 0.830 nan 8.230 nan 0.000 0.439 808 M N 2.367 121.845 119.600 -0.203 0.000 2.151 808 M HA 0.562 5.043 4.480 0.002 0.000 0.290 808 M C -1.746 174.393 176.300 -0.269 0.000 0.965 808 M CA -0.167 55.059 55.300 -0.123 0.000 0.930 808 M CB 1.032 33.603 32.600 -0.048 0.000 1.560 808 M HN 0.211 nan 8.290 nan 0.000 0.438 809 F N 2.126 122.067 119.950 -0.014 0.000 2.394 809 F HA 0.707 5.235 4.527 0.002 0.000 0.340 809 F C 0.574 176.387 175.800 0.023 0.000 1.105 809 F CA 0.002 58.003 58.000 0.002 0.000 1.124 809 F CB 1.700 40.699 39.000 -0.002 0.000 1.145 809 F HN 0.558 nan 8.300 nan 0.000 0.505 810 S N 0.634 116.430 115.700 0.159 0.000 2.570 810 S HA 0.775 5.247 4.470 0.002 0.000 0.286 810 S C -1.026 173.648 174.600 0.123 0.000 1.099 810 S CA -0.675 57.594 58.200 0.115 0.000 0.913 810 S CB 1.881 65.114 63.200 0.055 0.000 1.085 810 S HN 0.565 nan 8.310 nan 0.000 0.480 811 T N 2.524 117.151 114.554 0.122 0.000 3.011 811 T HA 0.448 4.799 4.350 0.002 0.000 0.303 811 T C -0.854 173.928 174.700 0.137 0.000 0.997 811 T CA -0.622 61.550 62.100 0.120 0.000 1.007 811 T CB 1.241 70.182 68.868 0.122 0.000 1.017 811 T HN 0.461 nan 8.240 nan 0.000 0.443 812 R N 2.023 122.597 120.500 0.125 0.000 2.437 812 R HA 0.470 4.811 4.340 0.002 0.000 0.310 812 R C -1.593 174.838 176.300 0.218 0.000 0.955 812 R CA -0.764 55.422 56.100 0.144 0.000 0.851 812 R CB 1.174 31.503 30.300 0.049 0.000 1.161 812 R HN 0.610 nan 8.270 nan 0.000 0.446 813 W N 5.828 127.147 121.300 0.032 0.000 2.376 813 W HA 0.350 5.011 4.660 0.001 0.000 0.312 813 W C -1.319 175.143 176.519 -0.096 0.000 1.060 813 W CA -1.114 56.244 57.345 0.021 0.000 1.221 813 W CB 1.082 30.599 29.460 0.095 0.000 1.281 813 W HN 0.521 nan 8.180 nan 0.000 0.456 814 D N 7.228 127.764 120.400 0.227 0.000 2.303 814 D HA 0.215 4.856 4.640 0.002 0.000 0.236 814 D C -0.243 176.004 176.300 -0.090 0.000 1.068 814 D CA -0.082 53.839 54.000 -0.131 0.000 0.830 814 D CB 1.074 41.860 40.800 -0.023 0.000 1.109 814 D HN 0.173 nan 8.370 nan 0.000 0.496 815 F N 0.000 119.885 119.950 -0.108 0.000 2.286 815 F HA 0.000 4.528 4.527 0.002 0.000 0.279 815 F CA 0.000 57.987 58.000 -0.021 0.000 1.383 815 F CB 0.000 38.944 39.000 -0.092 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574