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 3o0h_1_B DATA FIRST_RESID 3 DATA SEQUENCE SFDFDLFVIG SGSGGVRAAR LAGALGKRVA IAEEYRIGGT cVIRGcVPKK DATA SEQUENCE LYFYASQYAQ EFSKSIGFGW KYADPIFNWE KLVAAKNKEI SRLEGLYREG DATA SEQUENCE LQNSNVHIYE SRAVFVDEHT LELSVTGERI SAEKILIATG AKIVSNSXIK DATA SEQUENCE GSDLCLTSNE IFDLEKLPKS IVIVGGGYIG VEFANIFHGL GVKTTLLHRG DATA SEQUENCE DLILRNFDYD LRQLLNDAMV AKGISIIYEA TVSQVQSTEN cYNVVLTNGQ DATA SEQUENCE TIcADRVMLA TGRVPNTTGL GLERAGVKVN EFGAVVVDEK MTTNVSHIWA DATA SEQUENCE VGDVTGHIQL TPVAIHDAMC FVKNAFENTS TTPDYDLITT AVFSQPEIGT DATA SEQUENCE VGLSEEDALH RYKRVEIYRT VFRPMRNVLS GSPEKMFMKL VVDGESRIVV DATA SEQUENCE GAHVLGENAG EIAQLIGISL KGKLTKDIFD KTMAVHPTMS EELVTMYKPS DATA SEQUENCE YVYENGEKLD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.320 174.600 -0.466 0.000 1.055 3 S CA 0.000 57.946 58.200 -0.423 0.000 1.107 3 S CB 0.000 63.084 63.200 -0.193 0.000 0.593 4 F N 2.434 122.371 119.950 -0.023 0.000 2.399 4 F HA 0.429 4.960 4.527 0.006 0.000 0.328 4 F C 1.657 177.450 175.800 -0.012 0.000 1.084 4 F CA -0.810 57.194 58.000 0.008 0.000 1.053 4 F CB 0.723 39.758 39.000 0.059 0.000 1.209 4 F HN 0.548 nan 8.300 nan 0.000 0.502 5 D N 0.888 121.412 120.400 0.206 0.000 2.178 5 D HA -0.100 4.544 4.640 0.006 0.000 0.201 5 D C -0.087 175.984 176.300 -0.382 0.000 0.980 5 D CA 1.820 55.771 54.000 -0.082 0.000 0.842 5 D CB 0.028 40.835 40.800 0.012 0.000 0.948 5 D HN 0.165 nan 8.370 nan 0.000 0.472 6 F N -0.227 119.886 119.950 0.271 0.000 2.599 6 F HA 0.212 4.743 4.527 0.006 0.000 0.311 6 F C 1.029 176.976 175.800 0.246 0.000 1.076 6 F CA -1.067 57.079 58.000 0.243 0.000 0.937 6 F CB 1.644 40.810 39.000 0.278 0.000 1.282 6 F HN -0.403 nan 8.300 nan 0.000 0.460 7 D N 0.693 121.336 120.400 0.405 0.000 2.183 7 D HA 0.006 4.650 4.640 0.006 0.000 0.203 7 D C -0.041 176.482 176.300 0.371 0.000 0.969 7 D CA 1.522 55.722 54.000 0.333 0.000 0.842 7 D CB 0.418 41.374 40.800 0.259 0.000 0.957 7 D HN 0.159 nan 8.370 nan 0.000 0.484 8 L N -0.456 121.004 121.223 0.394 0.000 2.493 8 L HA 0.412 4.756 4.340 0.006 0.000 0.265 8 L C -1.979 175.076 176.870 0.308 0.000 0.954 8 L CA -0.837 54.229 54.840 0.377 0.000 0.844 8 L CB 2.217 44.515 42.059 0.399 0.000 1.302 8 L HN -0.262 nan 8.230 nan 0.000 0.405 9 F N 5.394 125.426 119.950 0.136 0.000 2.449 9 F HA 0.739 5.269 4.527 0.006 0.000 0.342 9 F C -0.930 174.873 175.800 0.005 0.000 1.127 9 F CA -0.605 57.401 58.000 0.011 0.000 0.975 9 F CB 1.637 40.634 39.000 -0.005 0.000 1.146 9 F HN 0.232 nan 8.300 nan 0.000 0.444 10 V N 7.476 127.341 119.914 -0.081 0.000 2.398 10 V HA 0.361 4.485 4.120 0.006 0.000 0.286 10 V C 0.105 176.198 176.094 -0.002 0.000 1.026 10 V CA -0.698 61.593 62.300 -0.015 0.000 0.868 10 V CB 1.550 33.329 31.823 -0.074 0.000 0.982 10 V HN 0.542 nan 8.190 nan 0.000 0.443 11 I N 4.765 125.397 120.570 0.103 0.000 2.307 11 I HA 0.675 4.849 4.170 0.006 0.000 0.287 11 I C 0.735 176.876 176.117 0.040 0.000 1.054 11 I CA 0.017 61.383 61.300 0.109 0.000 1.218 11 I CB 0.843 38.896 38.000 0.090 0.000 1.398 11 I HN 0.884 nan 8.210 nan 0.000 0.475 12 G N 3.889 112.699 108.800 0.017 0.000 3.233 12 G HA2 -0.115 3.848 3.960 0.006 0.000 0.686 12 G HA3 -0.115 3.848 3.960 0.006 0.000 0.686 12 G C -0.147 174.737 174.900 -0.027 0.000 1.153 12 G CA -0.338 44.764 45.100 0.004 0.000 0.853 12 G HN 0.732 nan 8.290 nan 0.000 0.582 13 S N 1.596 117.274 115.700 -0.036 0.000 2.489 13 S HA 0.656 5.130 4.470 0.006 0.000 0.237 13 S C 1.170 175.717 174.600 -0.089 0.000 1.220 13 S CA 0.612 58.774 58.200 -0.062 0.000 1.231 13 S CB 0.688 63.846 63.200 -0.070 0.000 0.900 13 S HN 1.831 nan 8.310 nan 0.000 0.492 14 G N 1.284 110.042 108.800 -0.070 0.000 2.574 14 G HA2 0.419 4.383 3.960 0.006 0.000 0.248 14 G HA3 0.419 4.383 3.960 0.006 0.000 0.248 14 G C 0.852 175.688 174.900 -0.107 0.000 1.422 14 G CA -0.323 44.720 45.100 -0.095 0.000 1.051 14 G HN 0.373 nan 8.290 nan 0.000 0.560 15 S N -0.296 115.355 115.700 -0.081 0.000 2.365 15 S HA -0.152 4.322 4.470 0.006 0.000 0.225 15 S C 2.391 176.995 174.600 0.007 0.000 1.039 15 S CA 1.844 60.015 58.200 -0.048 0.000 1.033 15 S CB -0.631 62.570 63.200 0.000 0.000 0.887 15 S HN 0.771 nan 8.310 nan 0.000 0.447 16 G N 0.817 109.630 108.800 0.022 0.000 2.395 16 G HA2 0.115 4.079 3.960 0.006 0.000 0.214 16 G HA3 0.115 4.079 3.960 0.006 0.000 0.214 16 G C 1.465 176.378 174.900 0.023 0.000 1.177 16 G CA 0.699 45.826 45.100 0.045 0.000 0.794 16 G HN 0.556 nan 8.290 nan 0.000 0.532 17 G N 0.246 109.041 108.800 -0.008 0.000 2.440 17 G HA2 -0.175 3.789 3.960 0.006 0.000 0.218 17 G HA3 -0.175 3.789 3.960 0.006 0.000 0.218 17 G C 1.769 176.665 174.900 -0.007 0.000 1.154 17 G CA 1.194 46.280 45.100 -0.023 0.000 0.767 17 G HN 0.360 nan 8.290 nan 0.000 0.552 18 V N 0.539 120.446 119.914 -0.012 0.000 2.515 18 V HA -0.037 4.086 4.120 0.006 0.000 0.250 18 V C 2.858 178.992 176.094 0.066 0.000 1.058 18 V CA 2.376 64.684 62.300 0.014 0.000 1.064 18 V CB -0.237 31.576 31.823 -0.016 0.000 0.675 18 V HN 0.374 nan 8.190 nan 0.000 0.461 19 R N 0.908 121.455 120.500 0.077 0.000 2.066 19 R HA -0.001 4.343 4.340 0.006 0.000 0.232 19 R C 2.181 178.544 176.300 0.105 0.000 1.131 19 R CA 2.171 58.331 56.100 0.100 0.000 0.955 19 R CB -1.111 29.253 30.300 0.106 0.000 0.851 19 R HN 0.483 nan 8.270 nan 0.000 0.432 20 A N 0.345 123.238 122.820 0.122 0.000 1.877 20 A HA -0.056 4.268 4.320 0.006 0.000 0.216 20 A C 2.402 180.092 177.584 0.178 0.000 1.186 20 A CA 1.972 54.134 52.037 0.209 0.000 0.620 20 A CB -1.213 17.910 19.000 0.205 0.000 0.822 20 A HN 0.501 nan 8.150 nan 0.000 0.443 21 A N -0.362 122.517 122.820 0.098 0.000 1.877 21 A HA -0.172 4.151 4.320 0.006 0.000 0.216 21 A C 2.269 179.871 177.584 0.030 0.000 1.186 21 A CA 1.852 53.921 52.037 0.053 0.000 0.620 21 A CB -0.515 18.478 19.000 -0.012 0.000 0.822 21 A HN 0.579 nan 8.150 nan 0.000 0.443 22 R N -0.353 120.166 120.500 0.033 0.000 2.081 22 R HA -0.052 4.291 4.340 0.006 0.000 0.235 22 R C 1.954 178.257 176.300 0.006 0.000 1.131 22 R CA 1.536 57.646 56.100 0.017 0.000 0.960 22 R CB -0.387 29.933 30.300 0.033 0.000 0.856 22 R HN 0.513 nan 8.270 nan 0.000 0.436 23 L N 0.173 121.410 121.223 0.024 0.000 2.056 23 L HA -0.078 4.266 4.340 0.006 0.000 0.207 23 L C 2.747 179.583 176.870 -0.058 0.000 1.078 23 L CA 1.233 56.073 54.840 0.001 0.000 0.749 23 L CB -0.559 41.519 42.059 0.031 0.000 0.901 23 L HN 0.330 nan 8.230 nan 0.000 0.433 24 A N 0.324 123.109 122.820 -0.058 0.000 1.902 24 A HA -0.137 4.186 4.320 0.006 0.000 0.217 24 A C 2.385 179.849 177.584 -0.199 0.000 1.181 24 A CA 1.783 53.684 52.037 -0.227 0.000 0.623 24 A CB -1.243 17.680 19.000 -0.129 0.000 0.818 24 A HN 0.450 nan 8.150 nan 0.000 0.443 25 G N -0.631 108.117 108.800 -0.088 0.000 2.402 25 G HA2 0.038 4.002 3.960 0.006 0.000 0.216 25 G HA3 0.038 4.002 3.960 0.006 0.000 0.216 25 G C 1.696 176.556 174.900 -0.066 0.000 1.162 25 G CA 1.283 46.347 45.100 -0.059 0.000 0.777 25 G HN 0.807 nan 8.290 nan 0.000 0.539 26 A N 0.521 123.303 122.820 -0.064 0.000 2.019 26 A HA 0.165 4.489 4.320 0.006 0.000 0.219 26 A C 2.228 179.766 177.584 -0.078 0.000 1.164 26 A CA 0.803 52.806 52.037 -0.057 0.000 0.644 26 A CB -0.296 18.678 19.000 -0.042 0.000 0.805 26 A HN 0.358 nan 8.150 nan 0.000 0.449 27 L N -1.130 120.018 121.223 -0.125 0.000 2.622 27 L HA 0.095 4.439 4.340 0.006 0.000 0.233 27 L C 1.691 178.479 176.870 -0.135 0.000 1.156 27 L CA 0.581 55.331 54.840 -0.151 0.000 0.866 27 L CB -0.406 41.500 42.059 -0.255 0.000 0.980 27 L HN 0.599 nan 8.230 nan 0.000 0.448 28 G N -0.713 108.024 108.800 -0.106 0.000 2.157 28 G HA2 -0.210 3.754 3.960 0.006 0.000 0.239 28 G HA3 -0.210 3.754 3.960 0.006 0.000 0.239 28 G C 0.246 175.103 174.900 -0.071 0.000 0.982 28 G CA -0.315 44.743 45.100 -0.070 0.000 0.650 28 G HN 0.154 nan 8.290 nan 0.000 0.527 29 K N 0.410 120.737 120.400 -0.122 0.000 2.168 29 K HA 0.412 4.735 4.320 0.006 0.000 0.258 29 K C 0.792 177.405 176.600 0.021 0.000 1.010 29 K CA -0.463 55.775 56.287 -0.081 0.000 0.929 29 K CB 0.579 32.957 32.500 -0.203 0.000 0.998 29 K HN 0.398 nan 8.250 nan 0.000 0.479 30 R N 0.937 121.499 120.500 0.103 0.000 2.210 30 R HA 0.305 4.649 4.340 0.006 0.000 0.338 30 R C -0.394 176.131 176.300 0.375 0.000 1.062 30 R CA -0.436 55.793 56.100 0.215 0.000 0.902 30 R CB 0.471 30.871 30.300 0.167 0.000 1.050 30 R HN 0.167 nan 8.270 nan 0.000 0.461 31 V N 1.696 121.800 119.914 0.317 0.000 2.735 31 V HA 0.754 4.877 4.120 0.006 0.000 0.310 31 V C -0.323 175.692 176.094 -0.131 0.000 1.061 31 V CA -0.956 61.425 62.300 0.135 0.000 0.913 31 V CB 1.986 33.834 31.823 0.043 0.000 1.005 31 V HN 0.878 nan 8.190 nan 0.000 0.428 32 A N 3.999 126.495 122.820 -0.540 0.000 2.413 32 A HA 0.965 5.289 4.320 0.006 0.000 0.307 32 A C -1.195 175.938 177.584 -0.751 0.000 1.087 32 A CA -0.632 50.898 52.037 -0.845 0.000 0.750 32 A CB 1.622 19.741 19.000 -1.469 0.000 1.296 32 A HN 0.902 nan 8.150 nan 0.000 0.423 33 I N 0.697 120.903 120.570 -0.606 0.000 2.619 33 I HA 0.688 4.862 4.170 0.006 0.000 0.292 33 I C -0.195 175.707 176.117 -0.358 0.000 1.100 33 I CA -0.632 60.375 61.300 -0.487 0.000 1.043 33 I CB 1.893 39.739 38.000 -0.257 0.000 1.239 33 I HN 0.816 nan 8.210 nan 0.000 0.420 34 A N 5.294 127.953 122.820 -0.267 0.000 2.304 34 A HA 0.743 5.067 4.320 0.006 0.000 0.323 34 A C -0.949 176.638 177.584 0.005 0.000 1.195 34 A CA -0.341 51.693 52.037 -0.006 0.000 0.826 34 A CB 1.223 20.342 19.000 0.198 0.000 1.184 34 A HN 0.615 nan 8.150 nan 0.000 0.496 35 E N 1.445 121.659 120.200 0.023 0.000 2.244 35 E HA 0.248 4.602 4.350 0.006 0.000 0.260 35 E C 0.498 177.133 176.600 0.058 0.000 0.884 35 E CA -0.274 56.141 56.400 0.026 0.000 0.777 35 E CB 1.144 30.837 29.700 -0.011 0.000 1.197 35 E HN 0.709 nan 8.360 nan 0.000 0.416 36 E N 3.737 123.989 120.200 0.086 0.000 2.371 36 E HA -0.065 4.289 4.350 0.006 0.000 0.194 36 E C 0.396 177.102 176.600 0.176 0.000 1.012 36 E CA 0.390 56.856 56.400 0.110 0.000 0.860 36 E CB 0.176 29.934 29.700 0.096 0.000 0.811 36 E HN 0.615 nan 8.360 nan 0.000 0.502 37 Y N 0.643 120.947 120.300 0.007 0.000 2.941 37 Y HA 0.403 4.957 4.550 0.006 0.000 0.133 37 Y C -0.011 175.888 175.900 -0.003 0.000 0.874 37 Y CA -0.708 57.395 58.100 0.005 0.000 1.843 37 Y CB 1.067 39.530 38.460 0.006 0.000 1.233 37 Y HN -0.300 nan 8.280 nan 0.000 0.325 38 R N 1.289 121.665 120.500 -0.207 0.000 2.621 38 R HA 0.359 4.703 4.340 0.006 0.000 0.292 38 R C -1.453 174.783 176.300 -0.106 0.000 0.969 38 R CA -1.015 54.925 56.100 -0.267 0.000 0.887 38 R CB 1.985 32.017 30.300 -0.446 0.000 1.180 38 R HN 0.285 nan 8.270 nan 0.000 0.450 39 I N 2.364 122.875 120.570 -0.098 0.000 2.683 39 I HA -0.018 4.156 4.170 0.006 0.000 0.286 39 I C 1.426 177.478 176.117 -0.107 0.000 1.175 39 I CA 1.536 62.791 61.300 -0.076 0.000 1.429 39 I CB 0.431 38.405 38.000 -0.044 0.000 1.371 39 I HN 1.096 nan 8.210 nan 0.000 0.569 40 G N 4.013 112.691 108.800 -0.203 0.000 2.391 40 G HA2 0.007 3.971 3.960 0.006 0.000 0.204 40 G HA3 0.007 3.971 3.960 0.006 0.000 0.204 40 G C 0.616 175.332 174.900 -0.307 0.000 1.012 40 G CA 0.040 44.881 45.100 -0.432 0.000 0.651 40 G HN 1.549 nan 8.290 nan 0.000 0.494 41 G N -1.168 107.551 108.800 -0.135 0.000 2.615 41 G HA2 0.086 4.049 3.960 0.006 0.000 0.218 41 G HA3 0.086 4.049 3.960 0.006 0.000 0.218 41 G C 0.783 175.674 174.900 -0.015 0.000 1.339 41 G CA 0.905 45.972 45.100 -0.056 0.000 0.884 41 G HN 1.254 nan 8.290 nan 0.000 0.559 42 T N -0.468 114.091 114.554 0.009 0.000 2.812 42 T HA -0.120 4.234 4.350 0.006 0.000 0.264 42 T C 2.429 177.149 174.700 0.033 0.000 1.042 42 T CA 2.485 64.611 62.100 0.043 0.000 1.140 42 T CB -0.539 68.362 68.868 0.055 0.000 0.870 42 T HN 1.051 nan 8.240 nan 0.000 0.445 43 c N 1.255 119.860 118.600 0.009 0.000 2.453 43 c HA -0.010 4.563 4.570 0.006 0.000 0.277 43 c C 2.744 176.815 174.090 -0.031 0.000 1.262 43 c CA 0.435 56.769 56.329 0.009 0.000 1.718 43 c CB -1.205 41.310 42.510 0.009 0.000 2.031 43 c HN 0.361 nan 8.230 nan 0.000 0.480 44 V N 1.513 121.391 119.914 -0.061 0.000 2.295 44 V HA -0.163 3.960 4.120 0.006 0.000 0.246 44 V C 2.405 178.455 176.094 -0.074 0.000 1.049 44 V CA 2.054 64.318 62.300 -0.061 0.000 1.024 44 V CB -0.565 31.195 31.823 -0.105 0.000 0.648 44 V HN 0.494 nan 8.190 nan 0.000 0.447 45 I N 0.160 120.696 120.570 -0.057 0.000 2.494 45 I HA 0.028 4.202 4.170 0.006 0.000 0.250 45 I C 1.609 177.670 176.117 -0.093 0.000 1.112 45 I CA 1.213 62.486 61.300 -0.045 0.000 1.438 45 I CB -0.546 37.480 38.000 0.043 0.000 1.111 45 I HN 0.479 nan 8.210 nan 0.000 0.431 46 R N -0.142 120.330 120.500 -0.047 0.000 2.522 46 R HA 0.500 4.844 4.340 0.006 0.000 0.373 46 R C 0.160 176.576 176.300 0.193 0.000 1.062 46 R CA 0.061 56.173 56.100 0.021 0.000 1.167 46 R CB -0.121 30.307 30.300 0.213 0.000 1.378 46 R HN 0.119 nan 8.270 nan 0.000 0.662 47 G N 0.117 108.946 108.800 0.049 0.000 3.433 47 G HA2 0.144 4.108 3.960 0.006 0.000 0.173 47 G HA3 0.144 4.108 3.960 0.006 0.000 0.173 47 G C 0.784 175.738 174.900 0.090 0.000 1.196 47 G CA 0.261 45.459 45.100 0.163 0.000 1.062 47 G HN 0.137 nan 8.290 nan 0.000 0.699 48 c N 0.330 118.969 118.600 0.064 0.000 2.401 48 c HA 0.032 4.605 4.570 0.006 0.000 0.276 48 c C 2.817 176.860 174.090 -0.078 0.000 1.233 48 c CA 0.931 57.271 56.329 0.018 0.000 1.753 48 c CB -1.396 41.129 42.510 0.025 0.000 2.029 48 c HN 0.241 nan 8.230 nan 0.000 0.478 49 V N 2.634 122.493 119.914 -0.091 0.000 2.255 49 V HA -0.100 4.024 4.120 0.006 0.000 0.243 49 V C 0.269 176.254 176.094 -0.181 0.000 1.038 49 V CA 2.499 64.732 62.300 -0.112 0.000 1.008 49 V CB -1.763 30.017 31.823 -0.072 0.000 0.645 49 V HN 0.339 nan 8.190 nan 0.000 0.449 50 P HA -0.178 nan 4.420 nan 0.000 0.219 50 P C 1.588 178.655 177.300 -0.389 0.000 1.150 50 P CA 1.344 64.113 63.100 -0.552 0.000 0.814 50 P CB -0.121 30.830 31.700 -1.249 0.000 0.787 51 K N 1.365 121.672 120.400 -0.156 0.000 2.044 51 K HA -0.206 4.117 4.320 0.006 0.000 0.210 51 K C 2.069 178.606 176.600 -0.104 0.000 1.049 51 K CA 1.942 58.236 56.287 0.011 0.000 0.927 51 K CB -0.491 32.022 32.500 0.021 0.000 0.713 51 K HN -0.092 nan 8.250 nan 0.000 0.443 52 K N 0.939 121.209 120.400 -0.216 0.000 2.148 52 K HA 0.010 4.333 4.320 0.006 0.000 0.204 52 K C 2.236 178.711 176.600 -0.207 0.000 1.050 52 K CA 0.906 56.946 56.287 -0.413 0.000 0.942 52 K CB -0.179 31.989 32.500 -0.554 0.000 0.724 52 K HN 0.198 nan 8.250 nan 0.000 0.446 53 L N -0.536 120.704 121.223 0.029 0.000 2.056 53 L HA -0.170 4.173 4.340 0.006 0.000 0.207 53 L C 1.937 179.018 176.870 0.351 0.000 1.078 53 L CA 1.070 56.063 54.840 0.255 0.000 0.749 53 L CB -0.491 41.718 42.059 0.249 0.000 0.901 53 L HN 0.178 nan 8.230 nan 0.000 0.433 54 Y N -0.994 119.338 120.300 0.053 0.000 2.263 54 Y HA -0.216 4.338 4.550 0.006 0.000 0.292 54 Y C 2.362 178.251 175.900 -0.019 0.000 1.130 54 Y CA 0.390 58.521 58.100 0.050 0.000 1.179 54 Y CB -0.899 37.633 38.460 0.119 0.000 0.998 54 Y HN 0.080 nan 8.280 nan 0.000 0.532 55 F N -0.209 119.710 119.950 -0.052 0.000 2.065 55 F HA -0.343 4.188 4.527 0.006 0.000 0.298 55 F C 1.971 177.678 175.800 -0.154 0.000 1.112 55 F CA 1.648 59.535 58.000 -0.189 0.000 1.212 55 F CB -0.978 37.804 39.000 -0.364 0.000 0.975 55 F HN -0.014 nan 8.300 nan 0.000 0.476 56 Y N 0.694 120.921 120.300 -0.121 0.000 2.128 56 Y HA -0.147 4.406 4.550 0.006 0.000 0.284 56 Y C 2.731 178.456 175.900 -0.292 0.000 1.154 56 Y CA 1.049 58.960 58.100 -0.315 0.000 1.149 56 Y CB -1.649 36.773 38.460 -0.063 0.000 0.976 56 Y HN 0.206 nan 8.280 nan 0.000 0.505 57 A N -0.996 121.884 122.820 0.100 0.000 1.917 57 A HA -0.251 4.073 4.320 0.006 0.000 0.219 57 A C 2.539 180.057 177.584 -0.110 0.000 1.182 57 A CA 2.200 54.298 52.037 0.102 0.000 0.633 57 A CB -1.209 17.807 19.000 0.026 0.000 0.819 57 A HN 0.394 nan 8.150 nan 0.000 0.448 58 S N -1.000 114.553 115.700 -0.244 0.000 2.447 58 S HA -0.146 4.327 4.470 0.006 0.000 0.233 58 S C 1.970 176.363 174.600 -0.345 0.000 1.006 58 S CA 1.328 59.342 58.200 -0.310 0.000 0.957 58 S CB -0.362 62.687 63.200 -0.252 0.000 0.773 58 S HN 0.684 nan 8.310 nan 0.000 0.507 59 Q N -1.055 118.461 119.800 -0.472 0.000 2.311 59 Q HA -0.015 4.328 4.340 0.006 0.000 0.203 59 Q C 1.330 177.020 176.000 -0.517 0.000 0.954 59 Q CA 0.945 56.430 55.803 -0.531 0.000 0.885 59 Q CB -0.153 28.169 28.738 -0.693 0.000 0.963 59 Q HN 0.664 nan 8.270 nan 0.000 0.471 60 Y N 0.491 120.523 120.300 -0.447 0.000 2.224 60 Y HA -0.214 4.340 4.550 0.006 0.000 0.289 60 Y C 2.392 177.653 175.900 -1.065 0.000 1.146 60 Y CA 1.097 58.756 58.100 -0.736 0.000 1.182 60 Y CB -0.438 37.609 38.460 -0.688 0.000 0.983 60 Y HN 0.142 nan 8.280 nan 0.000 0.524 61 A N 0.019 122.537 122.820 -0.504 0.000 1.877 61 A HA -0.268 4.056 4.320 0.006 0.000 0.216 61 A C 2.304 179.752 177.584 -0.226 0.000 1.186 61 A CA 2.425 54.256 52.037 -0.344 0.000 0.620 61 A CB -1.313 17.603 19.000 -0.140 0.000 0.822 61 A HN 0.464 nan 8.150 nan 0.000 0.443 62 Q N -0.500 119.181 119.800 -0.198 0.000 2.167 62 Q HA -0.147 4.197 4.340 0.006 0.000 0.202 62 Q C 1.858 177.799 176.000 -0.099 0.000 0.970 62 Q CA 2.086 57.829 55.803 -0.101 0.000 0.855 62 Q CB -0.660 28.025 28.738 -0.089 0.000 0.911 62 Q HN 0.818 nan 8.270 nan 0.000 0.438 63 E N -0.348 119.724 120.200 -0.213 0.000 2.047 63 E HA -0.088 4.266 4.350 0.006 0.000 0.191 63 E C 1.513 178.112 176.600 -0.003 0.000 0.987 63 E CA 1.404 57.717 56.400 -0.144 0.000 0.799 63 E CB -0.359 29.201 29.700 -0.233 0.000 0.752 63 E HN 0.625 nan 8.360 nan 0.000 0.449 64 F N 0.994 120.853 119.950 -0.152 0.000 2.161 64 F HA -0.168 4.362 4.527 0.005 0.000 0.300 64 F C 2.701 178.440 175.800 -0.103 0.000 1.089 64 F CA 1.327 59.114 58.000 -0.355 0.000 1.282 64 F CB -1.605 36.961 39.000 -0.723 0.000 1.010 64 F HN 0.178 nan 8.300 nan 0.000 0.485 65 S N -0.038 115.815 115.700 0.256 0.000 2.423 65 S HA -0.157 4.316 4.470 0.006 0.000 0.231 65 S C 1.793 176.547 174.600 0.255 0.000 1.014 65 S CA 0.790 59.181 58.200 0.318 0.000 0.965 65 S CB -0.548 62.787 63.200 0.225 0.000 0.785 65 S HN 0.417 nan 8.310 nan 0.000 0.495 66 K N 1.596 122.113 120.400 0.196 0.000 2.362 66 K HA 0.001 4.325 4.320 0.006 0.000 0.200 66 K C 2.430 179.237 176.600 0.344 0.000 1.046 66 K CA 1.153 57.578 56.287 0.230 0.000 0.952 66 K CB -0.253 32.351 32.500 0.173 0.000 0.753 66 K HN 0.666 nan 8.250 nan 0.000 0.466 67 S N 0.896 116.774 115.700 0.298 0.000 2.453 67 S HA -0.048 4.426 4.470 0.006 0.000 0.231 67 S C 1.921 176.849 174.600 0.547 0.000 1.005 67 S CA 0.431 58.850 58.200 0.365 0.000 0.949 67 S CB -0.417 62.831 63.200 0.080 0.000 0.774 67 S HN 0.188 nan 8.310 nan 0.000 0.510 68 I N 2.244 123.082 120.570 0.447 0.000 2.163 68 I HA -0.106 4.068 4.170 0.006 0.000 0.243 68 I C 2.902 179.171 176.117 0.254 0.000 1.085 68 I CA 1.352 62.863 61.300 0.351 0.000 1.347 68 I CB -1.153 37.002 38.000 0.258 0.000 1.044 68 I HN 0.505 nan 8.210 nan 0.000 0.408 69 G N 0.320 109.244 108.800 0.205 0.000 2.470 69 G HA2 -0.208 3.756 3.960 0.006 0.000 0.220 69 G HA3 -0.208 3.756 3.960 0.006 0.000 0.220 69 G C 1.241 176.083 174.900 -0.098 0.000 1.121 69 G CA 0.333 45.439 45.100 0.010 0.000 0.766 69 G HN 0.322 nan 8.290 nan 0.000 0.553 70 F N 0.255 120.314 119.950 0.181 0.000 2.732 70 F HA 0.371 4.903 4.527 0.009 0.000 0.303 70 F C 1.859 177.723 175.800 0.107 0.000 1.110 70 F CA 0.403 58.509 58.000 0.178 0.000 1.355 70 F CB 0.707 39.872 39.000 0.274 0.000 1.081 70 F HN 0.221 nan 8.300 nan 0.000 0.565 71 G N -1.217 107.703 108.800 0.200 0.000 2.163 71 G HA2 -0.264 3.700 3.960 0.006 0.000 0.213 71 G HA3 -0.264 3.700 3.960 0.006 0.000 0.213 71 G C -0.197 174.658 174.900 -0.075 0.000 0.991 71 G CA -0.761 44.343 45.100 0.007 0.000 0.653 71 G HN 0.235 nan 8.290 nan 0.000 0.518 72 W N 1.739 123.132 121.300 0.155 0.000 2.381 72 W HA 0.660 5.323 4.660 0.005 0.000 0.329 72 W C 0.795 177.414 176.519 0.166 0.000 1.157 72 W CA -0.223 57.214 57.345 0.153 0.000 1.240 72 W CB 0.962 30.524 29.460 0.170 0.000 1.199 72 W HN 0.305 nan 8.180 nan 0.000 0.579 73 K N 1.818 122.454 120.400 0.393 0.000 2.444 73 K HA 0.825 5.149 4.320 0.006 0.000 0.252 73 K C -1.588 175.200 176.600 0.313 0.000 0.993 73 K CA -0.977 55.448 56.287 0.229 0.000 0.847 73 K CB 2.572 35.111 32.500 0.065 0.000 1.340 73 K HN 0.585 nan 8.250 nan 0.000 0.446 74 Y N -2.573 117.773 120.300 0.077 0.000 2.677 74 Y HA 0.623 5.176 4.550 0.006 0.000 0.334 74 Y C -1.420 174.488 175.900 0.013 0.000 1.196 74 Y CA -1.461 56.645 58.100 0.011 0.000 1.059 74 Y CB 0.575 38.978 38.460 -0.095 0.000 1.315 74 Y HN 0.803 nan 8.280 nan 0.000 0.455 75 A N 1.117 123.994 122.820 0.094 0.000 2.351 75 A HA 0.326 4.650 4.320 0.006 0.000 0.257 75 A C -0.350 177.310 177.584 0.125 0.000 1.087 75 A CA -0.057 52.009 52.037 0.049 0.000 0.798 75 A CB -0.019 19.017 19.000 0.059 0.000 1.033 75 A HN 0.745 nan 8.150 nan 0.000 0.488 76 D N 1.498 121.939 120.400 0.068 0.000 2.520 76 D HA 0.226 4.870 4.640 0.006 0.000 0.243 76 D C -2.049 174.367 176.300 0.193 0.000 1.160 76 D CA -0.251 53.823 54.000 0.124 0.000 0.877 76 D CB 0.288 41.133 40.800 0.074 0.000 1.150 76 D HN 0.194 nan 8.370 nan 0.000 0.494 77 P HA 0.273 nan 4.420 nan 0.000 0.276 77 P C -0.517 176.913 177.300 0.217 0.000 1.230 77 P CA -0.074 63.204 63.100 0.296 0.000 0.776 77 P CB 0.618 32.573 31.700 0.425 0.000 0.888 78 I N 3.028 123.714 120.570 0.195 0.000 2.436 78 I HA 0.384 4.558 4.170 0.006 0.000 0.289 78 I C -0.455 175.789 176.117 0.212 0.000 1.010 78 I CA -0.890 60.511 61.300 0.170 0.000 1.098 78 I CB 1.330 39.393 38.000 0.105 0.000 1.266 78 I HN 0.238 nan 8.210 nan 0.000 0.434 79 F N 6.990 126.985 119.950 0.076 0.000 2.492 79 F HA 0.518 5.049 4.527 0.006 0.000 0.327 79 F C -0.406 175.448 175.800 0.090 0.000 1.079 79 F CA -0.553 57.492 58.000 0.075 0.000 0.967 79 F CB 1.343 40.393 39.000 0.083 0.000 1.169 79 F HN 0.351 nan 8.300 nan 0.000 0.472 80 N N 6.307 124.463 118.700 -0.906 0.000 2.573 80 N HA 0.014 4.758 4.740 0.006 0.000 0.262 80 N C 0.520 175.470 175.510 -0.933 0.000 1.029 80 N CA -0.502 52.172 53.050 -0.625 0.000 0.882 80 N CB 0.440 38.745 38.487 -0.304 0.000 1.204 80 N HN 1.014 nan 8.380 nan 0.000 0.519 81 W N 3.946 124.760 121.300 -0.811 0.000 2.338 81 W HA -0.256 4.407 4.660 0.006 0.000 0.304 81 W C 1.565 177.972 176.519 -0.187 0.000 1.212 81 W CA 2.602 59.721 57.345 -0.377 0.000 1.264 81 W CB -0.127 29.358 29.460 0.041 0.000 1.142 81 W HN 0.702 nan 8.180 nan 0.000 0.512 82 E N 1.244 121.431 120.200 -0.021 0.000 2.118 82 E HA -0.322 4.032 4.350 0.006 0.000 0.195 82 E C 1.886 178.390 176.600 -0.159 0.000 0.992 82 E CA 2.132 58.494 56.400 -0.063 0.000 0.804 82 E CB -1.050 28.665 29.700 0.025 0.000 0.741 82 E HN 0.492 nan 8.360 nan 0.000 0.458 83 K N -0.636 119.649 120.400 -0.192 0.000 2.057 83 K HA -0.076 4.247 4.320 0.006 0.000 0.207 83 K C 2.260 178.744 176.600 -0.193 0.000 1.049 83 K CA 1.406 57.589 56.287 -0.173 0.000 0.931 83 K CB -0.272 32.125 32.500 -0.172 0.000 0.714 83 K HN 0.320 nan 8.250 nan 0.000 0.440 84 L N 0.892 121.942 121.223 -0.289 0.000 2.017 84 L HA -0.136 4.208 4.340 0.006 0.000 0.208 84 L C 1.963 178.660 176.870 -0.288 0.000 1.073 84 L CA 1.486 56.159 54.840 -0.278 0.000 0.745 84 L CB -0.484 41.378 42.059 -0.329 0.000 0.894 84 L HN 0.021 nan 8.230 nan 0.000 0.432 85 V N 0.295 119.961 119.914 -0.414 0.000 2.332 85 V HA -0.318 3.806 4.120 0.006 0.000 0.248 85 V C 2.832 178.880 176.094 -0.077 0.000 1.055 85 V CA 1.723 63.887 62.300 -0.228 0.000 1.038 85 V CB -1.522 30.151 31.823 -0.249 0.000 0.651 85 V HN 0.630 nan 8.190 nan 0.000 0.450 86 A N -0.069 122.698 122.820 -0.089 0.000 1.902 86 A HA -0.093 4.230 4.320 0.006 0.000 0.217 86 A C 2.426 179.991 177.584 -0.031 0.000 1.181 86 A CA 2.076 54.086 52.037 -0.044 0.000 0.623 86 A CB -0.780 18.193 19.000 -0.045 0.000 0.818 86 A HN 0.574 nan 8.150 nan 0.000 0.443 87 A N -0.223 122.573 122.820 -0.041 0.000 1.902 87 A HA -0.149 4.174 4.320 0.006 0.000 0.217 87 A C 2.176 179.766 177.584 0.010 0.000 1.181 87 A CA 1.948 53.975 52.037 -0.017 0.000 0.623 87 A CB -0.427 18.562 19.000 -0.019 0.000 0.818 87 A HN 0.415 nan 8.150 nan 0.000 0.443 88 K N 0.262 120.684 120.400 0.037 0.000 2.009 88 K HA -0.201 4.123 4.320 0.006 0.000 0.210 88 K C 1.566 178.171 176.600 0.008 0.000 1.049 88 K CA 1.888 58.214 56.287 0.064 0.000 0.929 88 K CB -0.528 32.088 32.500 0.193 0.000 0.714 88 K HN 0.424 nan 8.250 nan 0.000 0.440 89 N N 1.515 120.220 118.700 0.009 0.000 2.149 89 N HA -0.175 4.569 4.740 0.006 0.000 0.188 89 N C 1.792 177.297 175.510 -0.009 0.000 1.019 89 N CA 1.104 54.153 53.050 -0.002 0.000 0.857 89 N CB -0.188 38.303 38.487 0.008 0.000 0.997 89 N HN 0.358 nan 8.380 nan 0.000 0.426 90 K N 0.979 121.374 120.400 -0.007 0.000 2.057 90 K HA -0.170 4.154 4.320 0.006 0.000 0.207 90 K C 1.830 178.424 176.600 -0.009 0.000 1.049 90 K CA 1.312 57.593 56.287 -0.010 0.000 0.931 90 K CB 0.032 32.526 32.500 -0.011 0.000 0.714 90 K HN -0.054 nan 8.250 nan 0.000 0.440 91 E N 1.300 121.496 120.200 -0.006 0.000 2.072 91 E HA -0.152 4.202 4.350 0.006 0.000 0.190 91 E C 1.877 178.472 176.600 -0.007 0.000 0.982 91 E CA 1.574 57.972 56.400 -0.003 0.000 0.803 91 E CB -0.288 29.416 29.700 0.006 0.000 0.755 91 E HN 0.563 nan 8.360 nan 0.000 0.453 92 I N -1.721 118.837 120.570 -0.020 0.000 2.439 92 I HA -0.092 4.081 4.170 0.006 0.000 0.251 92 I C 1.973 178.083 176.117 -0.012 0.000 1.139 92 I CA 1.201 62.486 61.300 -0.025 0.000 1.438 92 I CB -0.346 37.615 38.000 -0.064 0.000 1.085 92 I HN -0.109 nan 8.210 nan 0.000 0.427 93 S N 1.106 116.795 115.700 -0.018 0.000 2.382 93 S HA -0.159 4.315 4.470 0.006 0.000 0.228 93 S C 2.073 176.668 174.600 -0.008 0.000 1.027 93 S CA 1.515 59.705 58.200 -0.017 0.000 0.991 93 S CB -0.500 62.687 63.200 -0.021 0.000 0.823 93 S HN 0.499 nan 8.310 nan 0.000 0.469 94 R N 0.967 121.463 120.500 -0.007 0.000 2.070 94 R HA -0.027 4.317 4.340 0.006 0.000 0.233 94 R C 2.195 178.494 176.300 -0.002 0.000 1.137 94 R CA 1.216 57.310 56.100 -0.010 0.000 0.945 94 R CB -0.413 29.878 30.300 -0.014 0.000 0.845 94 R HN 0.350 nan 8.270 nan 0.000 0.430 95 L N 0.570 121.807 121.223 0.023 0.000 2.017 95 L HA -0.201 4.143 4.340 0.006 0.000 0.208 95 L C 2.702 179.679 176.870 0.178 0.000 1.073 95 L CA 1.807 56.693 54.840 0.075 0.000 0.745 95 L CB -0.716 41.423 42.059 0.133 0.000 0.894 95 L HN 0.427 nan 8.230 nan 0.000 0.432 96 E N 0.406 120.687 120.200 0.134 0.000 2.065 96 E HA -0.254 4.100 4.350 0.006 0.000 0.201 96 E C 2.117 178.765 176.600 0.080 0.000 1.016 96 E CA 1.608 58.073 56.400 0.109 0.000 0.818 96 E CB -0.264 29.443 29.700 0.012 0.000 0.749 96 E HN 0.485 nan 8.360 nan 0.000 0.453 97 G N 0.996 109.812 108.800 0.025 0.000 2.442 97 G HA2 -0.239 3.725 3.960 0.006 0.000 0.219 97 G HA3 -0.239 3.725 3.960 0.006 0.000 0.219 97 G C 1.614 176.505 174.900 -0.015 0.000 1.141 97 G CA 0.881 45.979 45.100 -0.003 0.000 0.763 97 G HN 0.231 nan 8.290 nan 0.000 0.554 98 L N -1.213 119.985 121.223 -0.040 0.000 2.056 98 L HA -0.014 4.330 4.340 0.006 0.000 0.207 98 L C 2.666 179.441 176.870 -0.158 0.000 1.078 98 L CA 0.802 55.569 54.840 -0.123 0.000 0.749 98 L CB -0.451 41.487 42.059 -0.201 0.000 0.901 98 L HN 0.196 nan 8.230 nan 0.000 0.433 99 Y N -0.196 120.083 120.300 -0.035 0.000 2.128 99 Y HA -0.292 4.262 4.550 0.006 0.000 0.284 99 Y C 2.920 178.791 175.900 -0.048 0.000 1.154 99 Y CA 1.524 59.602 58.100 -0.036 0.000 1.149 99 Y CB -0.298 38.142 38.460 -0.034 0.000 0.976 99 Y HN 0.064 nan 8.280 nan 0.000 0.505 100 R N 0.754 121.313 120.500 0.097 0.000 2.083 100 R HA -0.211 4.133 4.340 0.006 0.000 0.237 100 R C 2.017 178.307 176.300 -0.017 0.000 1.137 100 R CA 1.996 58.104 56.100 0.013 0.000 0.951 100 R CB -0.265 30.027 30.300 -0.013 0.000 0.851 100 R HN 0.406 nan 8.270 nan 0.000 0.434 101 E N -0.889 119.295 120.200 -0.026 0.000 2.085 101 E HA -0.163 4.191 4.350 0.006 0.000 0.194 101 E C 1.874 178.450 176.600 -0.039 0.000 0.994 101 E CA 1.283 57.659 56.400 -0.039 0.000 0.801 101 E CB -0.230 29.441 29.700 -0.049 0.000 0.743 101 E HN 0.625 nan 8.360 nan 0.000 0.453 102 G N 1.258 110.034 108.800 -0.040 0.000 2.418 102 G HA2 -0.232 3.731 3.960 0.006 0.000 0.217 102 G HA3 -0.232 3.731 3.960 0.006 0.000 0.217 102 G C 1.630 176.521 174.900 -0.015 0.000 1.158 102 G CA 0.441 45.521 45.100 -0.033 0.000 0.771 102 G HN 0.098 nan 8.290 nan 0.000 0.545 103 L N -0.243 120.977 121.223 -0.006 0.000 2.046 103 L HA -0.124 4.219 4.340 0.006 0.000 0.208 103 L C 3.163 180.009 176.870 -0.040 0.000 1.077 103 L CA 1.328 56.154 54.840 -0.023 0.000 0.747 103 L CB -0.408 41.627 42.059 -0.039 0.000 0.896 103 L HN 0.274 nan 8.230 nan 0.000 0.432 104 Q N -0.530 119.243 119.800 -0.045 0.000 2.172 104 Q HA -0.117 4.227 4.340 0.006 0.000 0.200 104 Q C 1.933 177.915 176.000 -0.030 0.000 0.964 104 Q CA 0.900 56.675 55.803 -0.046 0.000 0.855 104 Q CB -0.083 28.623 28.738 -0.053 0.000 0.918 104 Q HN 0.479 nan 8.270 nan 0.000 0.444 105 N N 0.351 119.034 118.700 -0.029 0.000 2.223 105 N HA -0.083 4.661 4.740 0.006 0.000 0.185 105 N C 1.069 176.567 175.510 -0.020 0.000 1.016 105 N CA 1.018 54.053 53.050 -0.024 0.000 0.863 105 N CB -0.079 38.392 38.487 -0.028 0.000 0.983 105 N HN 0.013 nan 8.380 nan 0.000 0.429 106 S N 0.389 116.077 115.700 -0.021 0.000 2.660 106 S HA 0.125 4.598 4.470 0.006 0.000 0.227 106 S C 0.099 174.692 174.600 -0.011 0.000 0.948 106 S CA -0.372 57.816 58.200 -0.019 0.000 0.948 106 S CB -0.333 62.855 63.200 -0.020 0.000 0.779 106 S HN 0.386 nan 8.310 nan 0.000 0.487 107 N N -0.125 118.572 118.700 -0.006 0.000 2.741 107 N HA -0.140 4.604 4.740 0.006 0.000 0.251 107 N C -0.525 175.002 175.510 0.029 0.000 1.112 107 N CA 0.208 53.267 53.050 0.015 0.000 0.750 107 N CB -1.453 37.048 38.487 0.024 0.000 1.119 107 N HN 0.177 nan 8.380 nan 0.000 0.561 108 V N 0.985 120.895 119.914 -0.008 0.000 2.572 108 V HA 0.022 4.146 4.120 0.006 0.000 0.291 108 V C 0.724 176.776 176.094 -0.070 0.000 1.039 108 V CA -0.011 62.270 62.300 -0.033 0.000 1.055 108 V CB 0.810 32.590 31.823 -0.072 0.000 0.969 108 V HN 0.240 nan 8.190 nan 0.000 0.482 109 H N 5.012 123.982 119.070 -0.167 0.000 2.742 109 H HA 0.443 5.003 4.556 0.006 0.000 0.302 109 H C -0.233 174.815 175.328 -0.466 0.000 1.069 109 H CA -0.304 55.571 56.048 -0.289 0.000 1.446 109 H CB 0.561 30.154 29.762 -0.281 0.000 1.462 109 H HN 0.581 nan 8.280 nan 0.000 0.499 110 I N 6.552 126.600 120.570 -0.870 0.000 2.312 110 I HA 0.059 4.232 4.170 0.006 0.000 0.291 110 I C -0.658 175.090 176.117 -0.615 0.000 1.031 110 I CA -0.448 60.511 61.300 -0.569 0.000 1.293 110 I CB 0.254 38.040 38.000 -0.357 0.000 1.403 110 I HN 0.597 nan 8.210 nan 0.000 0.484 111 Y N 4.917 125.108 120.300 -0.182 0.000 2.367 111 Y HA 0.217 4.771 4.550 0.006 0.000 0.342 111 Y C 0.545 176.423 175.900 -0.036 0.000 0.979 111 Y CA -0.709 57.370 58.100 -0.034 0.000 1.161 111 Y CB 0.669 39.162 38.460 0.055 0.000 1.155 111 Y HN 0.488 nan 8.280 nan 0.000 0.503 112 E N 2.643 122.914 120.200 0.118 0.000 1.979 112 E HA 0.271 4.625 4.350 0.006 0.000 0.285 112 E C -0.421 176.237 176.600 0.097 0.000 1.188 112 E CA -0.266 56.174 56.400 0.065 0.000 1.214 112 E CB 0.343 30.056 29.700 0.022 0.000 1.210 112 E HN 0.405 nan 8.360 nan 0.000 0.477 113 S N 1.420 117.187 115.700 0.112 0.000 2.552 113 S HA 0.244 4.718 4.470 0.006 0.000 0.272 113 S C -0.889 173.767 174.600 0.093 0.000 1.150 113 S CA -0.965 57.294 58.200 0.099 0.000 0.849 113 S CB 1.295 64.557 63.200 0.104 0.000 1.113 113 S HN 0.484 nan 8.310 nan 0.000 0.458 114 R N 1.746 122.290 120.500 0.073 0.000 2.623 114 R HA 0.551 4.894 4.340 0.006 0.000 0.271 114 R C -0.304 176.027 176.300 0.052 0.000 1.043 114 R CA 0.481 56.617 56.100 0.061 0.000 1.083 114 R CB 0.261 30.589 30.300 0.046 0.000 0.974 114 R HN 0.657 nan 8.270 nan 0.000 0.436 115 A N 4.128 126.976 122.820 0.047 0.000 2.365 115 A HA 0.572 4.896 4.320 0.006 0.000 0.318 115 A C -0.873 176.663 177.584 -0.080 0.000 1.091 115 A CA -0.651 51.376 52.037 -0.017 0.000 0.763 115 A CB 1.611 20.642 19.000 0.052 0.000 1.248 115 A HN 0.672 nan 8.150 nan 0.000 0.442 116 V N -0.794 119.043 119.914 -0.127 0.000 2.962 116 V HA 0.840 4.964 4.120 0.006 0.000 0.313 116 V C -0.776 175.223 176.094 -0.159 0.000 1.099 116 V CA -1.124 61.124 62.300 -0.086 0.000 0.971 116 V CB 1.356 33.181 31.823 0.005 0.000 1.028 116 V HN 0.658 nan 8.190 nan 0.000 0.430 117 F N 1.878 121.786 119.950 -0.070 0.000 2.484 117 F HA 0.481 5.012 4.527 0.006 0.000 0.360 117 F C 1.315 177.082 175.800 -0.054 0.000 1.101 117 F CA 0.314 58.268 58.000 -0.077 0.000 1.251 117 F CB 1.466 40.428 39.000 -0.064 0.000 1.132 117 F HN 0.322 nan 8.300 nan 0.000 0.570 118 V N 0.520 120.507 119.914 0.123 0.000 2.672 118 V HA 0.037 4.161 4.120 0.006 0.000 0.242 118 V C -0.062 176.093 176.094 0.101 0.000 1.059 118 V CA 1.222 63.571 62.300 0.081 0.000 1.081 118 V CB -0.162 31.684 31.823 0.039 0.000 0.752 118 V HN 0.902 nan 8.190 nan 0.000 0.472 119 D N -2.641 117.843 120.400 0.141 0.000 2.838 119 D HA 0.118 4.761 4.640 0.006 0.000 0.334 119 D C 0.746 177.151 176.300 0.174 0.000 1.315 119 D CA -0.552 53.523 54.000 0.124 0.000 0.917 119 D CB 0.519 41.385 40.800 0.109 0.000 1.435 119 D HN -0.119 nan 8.370 nan 0.000 0.517 120 E N -1.394 118.875 120.200 0.115 0.000 2.136 120 E HA -0.259 4.095 4.350 0.006 0.000 0.202 120 E C 0.599 177.249 176.600 0.083 0.000 1.019 120 E CA 1.519 57.967 56.400 0.081 0.000 0.819 120 E CB -0.087 29.661 29.700 0.080 0.000 0.739 120 E HN 0.375 nan 8.360 nan 0.000 0.458 121 H N -1.784 117.414 119.070 0.214 0.000 2.923 121 H HA 0.232 4.792 4.556 0.006 0.000 0.268 121 H C -0.438 174.933 175.328 0.071 0.000 1.148 121 H CA 0.242 56.349 56.048 0.100 0.000 1.146 121 H CB 1.111 30.893 29.762 0.034 0.000 1.607 121 H HN -0.068 nan 8.280 nan 0.000 0.566 122 T N 2.736 117.383 114.554 0.154 0.000 2.881 122 T HA 0.403 4.757 4.350 0.006 0.000 0.290 122 T C -0.402 174.232 174.700 -0.111 0.000 1.000 122 T CA -0.666 61.457 62.100 0.039 0.000 0.978 122 T CB 2.210 71.127 68.868 0.082 0.000 0.997 122 T HN -0.076 nan 8.240 nan 0.000 0.443 123 L N 2.209 123.249 121.223 -0.305 0.000 2.330 123 L HA 0.631 4.975 4.340 0.006 0.000 0.271 123 L C 0.337 177.039 176.870 -0.280 0.000 1.013 123 L CA -0.798 53.772 54.840 -0.451 0.000 0.816 123 L CB 1.557 43.055 42.059 -0.935 0.000 1.287 123 L HN 0.755 nan 8.230 nan 0.000 0.435 124 E N 1.549 121.625 120.200 -0.207 0.000 2.187 124 E HA 0.476 4.830 4.350 0.006 0.000 0.268 124 E C -1.313 175.221 176.600 -0.110 0.000 0.896 124 E CA -0.650 55.675 56.400 -0.125 0.000 0.766 124 E CB 1.619 31.282 29.700 -0.062 0.000 1.142 124 E HN 0.472 nan 8.360 nan 0.000 0.408 125 L N 4.139 125.309 121.223 -0.088 0.000 2.278 125 L HA 0.164 4.507 4.340 0.006 0.000 0.287 125 L C 1.292 178.156 176.870 -0.010 0.000 1.072 125 L CA -0.323 54.492 54.840 -0.043 0.000 0.819 125 L CB 1.260 43.287 42.059 -0.053 0.000 1.176 125 L HN 0.685 nan 8.230 nan 0.000 0.435 126 S N 2.042 117.745 115.700 0.006 0.000 2.374 126 S HA -0.169 4.305 4.470 0.006 0.000 0.227 126 S C 1.863 176.478 174.600 0.025 0.000 1.037 126 S CA 1.193 59.403 58.200 0.016 0.000 1.024 126 S CB -0.044 63.169 63.200 0.023 0.000 0.861 126 S HN 0.560 nan 8.310 nan 0.000 0.456 127 V N 1.684 121.620 119.914 0.037 0.000 2.358 127 V HA -0.131 3.993 4.120 0.006 0.000 0.246 127 V C 2.605 178.723 176.094 0.040 0.000 1.047 127 V CA 2.013 64.340 62.300 0.044 0.000 1.035 127 V CB -1.037 30.821 31.823 0.059 0.000 0.658 127 V HN 0.806 nan 8.190 nan 0.000 0.452 128 T N -4.396 110.182 114.554 0.039 0.000 2.971 128 T HA 0.386 4.740 4.350 0.006 0.000 0.252 128 T C 1.549 176.263 174.700 0.024 0.000 1.022 128 T CA 0.978 63.100 62.100 0.037 0.000 0.980 128 T CB 1.016 69.914 68.868 0.050 0.000 1.044 128 T HN 0.902 nan 8.240 nan 0.000 0.501 129 G N 1.563 110.371 108.800 0.013 0.000 2.179 129 G HA2 -0.280 3.684 3.960 0.006 0.000 0.260 129 G HA3 -0.280 3.684 3.960 0.006 0.000 0.260 129 G C -0.131 174.767 174.900 -0.004 0.000 0.977 129 G CA 0.263 45.366 45.100 0.004 0.000 0.641 129 G HN 0.864 nan 8.290 nan 0.000 0.533 130 E N 0.759 120.955 120.200 -0.005 0.000 2.414 130 E HA 0.345 4.699 4.350 0.006 0.000 0.263 130 E C 0.580 177.153 176.600 -0.045 0.000 1.000 130 E CA -0.257 56.135 56.400 -0.013 0.000 0.914 130 E CB 0.273 29.968 29.700 -0.008 0.000 0.948 130 E HN 0.434 nan 8.360 nan 0.000 0.444 131 R N 4.155 124.639 120.500 -0.027 0.000 2.346 131 R HA 0.413 4.757 4.340 0.006 0.000 0.311 131 R C -0.510 175.780 176.300 -0.017 0.000 0.983 131 R CA -0.756 55.321 56.100 -0.038 0.000 0.880 131 R CB 1.023 31.317 30.300 -0.010 0.000 1.100 131 R HN 0.469 nan 8.270 nan 0.000 0.453 132 I N 1.966 122.509 120.570 -0.045 0.000 2.498 132 I HA 0.204 4.377 4.170 0.006 0.000 0.290 132 I C 0.349 176.508 176.117 0.071 0.000 1.032 132 I CA -0.537 60.803 61.300 0.066 0.000 1.073 132 I CB 1.761 39.819 38.000 0.096 0.000 1.251 132 I HN 0.657 nan 8.210 nan 0.000 0.426 133 S N 4.571 120.398 115.700 0.211 0.000 2.651 133 S HA 0.964 5.438 4.470 0.006 0.000 0.291 133 S C -0.434 174.384 174.600 0.363 0.000 1.141 133 S CA -0.549 57.811 58.200 0.266 0.000 1.027 133 S CB 2.605 66.025 63.200 0.366 0.000 1.043 133 S HN 0.915 nan 8.310 nan 0.000 0.530 134 A N 0.622 123.578 122.820 0.226 0.000 2.547 134 A HA 0.591 4.915 4.320 0.006 0.000 0.297 134 A C 0.342 177.729 177.584 -0.327 0.000 1.056 134 A CA -0.499 51.633 52.037 0.159 0.000 0.688 134 A CB 1.176 20.368 19.000 0.321 0.000 1.282 134 A HN 0.975 nan 8.150 nan 0.000 0.400 135 E N 0.884 120.864 120.200 -0.366 0.000 2.046 135 E HA -0.033 4.320 4.350 0.006 0.000 0.190 135 E C 0.131 176.767 176.600 0.060 0.000 0.982 135 E CA 1.112 57.194 56.400 -0.529 0.000 0.800 135 E CB 0.028 29.723 29.700 -0.008 0.000 0.756 135 E HN 0.571 nan 8.360 nan 0.000 0.449 136 K N 0.314 120.878 120.400 0.273 0.000 2.316 136 K HA 0.507 4.830 4.320 0.006 0.000 0.251 136 K C -1.011 175.847 176.600 0.430 0.000 0.934 136 K CA -0.546 56.026 56.287 0.475 0.000 0.802 136 K CB 2.337 35.122 32.500 0.475 0.000 1.171 136 K HN 0.006 nan 8.250 nan 0.000 0.426 137 I N 2.972 123.813 120.570 0.451 0.000 2.498 137 I HA 0.280 4.454 4.170 0.006 0.000 0.290 137 I C -1.351 174.949 176.117 0.306 0.000 1.032 137 I CA -1.093 60.411 61.300 0.340 0.000 1.073 137 I CB 1.797 39.965 38.000 0.280 0.000 1.251 137 I HN 0.301 nan 8.210 nan 0.000 0.426 138 L N 7.859 129.186 121.223 0.173 0.000 2.298 138 L HA 0.578 4.922 4.340 0.006 0.000 0.284 138 L C -0.763 176.128 176.870 0.035 0.000 1.013 138 L CA -0.115 54.714 54.840 -0.018 0.000 0.824 138 L CB 1.110 42.971 42.059 -0.330 0.000 1.221 138 L HN 0.393 nan 8.230 nan 0.000 0.418 139 I N 5.751 126.356 120.570 0.060 0.000 2.337 139 I HA 0.458 4.632 4.170 0.006 0.000 0.291 139 I C 0.531 176.658 176.117 0.017 0.000 1.046 139 I CA 0.117 61.467 61.300 0.083 0.000 1.324 139 I CB 1.233 39.306 38.000 0.121 0.000 1.409 139 I HN 0.821 nan 8.210 nan 0.000 0.494 140 A N 3.669 126.497 122.820 0.013 0.000 2.992 140 A HA 0.242 4.566 4.320 0.006 0.000 0.263 140 A C 0.906 178.495 177.584 0.008 0.000 0.928 140 A CA -0.319 51.715 52.037 -0.005 0.000 1.061 140 A CB -0.346 18.636 19.000 -0.029 0.000 1.173 140 A HN 0.717 nan 8.150 nan 0.000 0.482 141 T N -3.252 111.314 114.554 0.019 0.000 3.129 141 T HA 0.445 4.799 4.350 0.006 0.000 0.251 141 T C 1.333 176.042 174.700 0.015 0.000 1.117 141 T CA 1.014 63.129 62.100 0.024 0.000 1.034 141 T CB -0.178 68.713 68.868 0.038 0.000 0.968 141 T HN 1.994 nan 8.240 nan 0.000 0.526 142 G N 1.521 110.325 108.800 0.005 0.000 2.539 142 G HA2 0.188 4.152 3.960 0.006 0.000 0.256 142 G HA3 0.188 4.152 3.960 0.006 0.000 0.256 142 G C -0.026 174.874 174.900 -0.000 0.000 1.233 142 G CA -0.188 44.914 45.100 0.003 0.000 0.936 142 G HN 1.332 nan 8.290 nan 0.000 0.571 143 A N -0.873 121.952 122.820 0.008 0.000 2.437 143 A HA 0.924 5.248 4.320 0.006 0.000 0.292 143 A C -0.106 177.484 177.584 0.010 0.000 1.173 143 A CA 0.305 52.348 52.037 0.010 0.000 0.785 143 A CB 1.896 20.907 19.000 0.018 0.000 1.351 143 A HN 0.989 nan 8.150 nan 0.000 0.431 144 K N 0.158 120.562 120.400 0.008 0.000 2.502 144 K HA 0.525 4.848 4.320 0.006 0.000 0.257 144 K C -1.355 175.244 176.600 -0.001 0.000 0.938 144 K CA -0.647 55.639 56.287 -0.002 0.000 0.819 144 K CB 1.805 34.301 32.500 -0.005 0.000 1.333 144 K HN 0.646 nan 8.250 nan 0.000 0.434 145 I N 3.153 123.716 120.570 -0.012 0.000 2.710 145 I HA -0.055 4.119 4.170 0.006 0.000 0.286 145 I C 0.732 176.840 176.117 -0.013 0.000 1.181 145 I CA -0.306 60.984 61.300 -0.016 0.000 1.430 145 I CB 0.536 38.516 38.000 -0.034 0.000 1.367 145 I HN 0.274 nan 8.210 nan 0.000 0.577 146 V N 2.866 122.776 119.914 -0.007 0.000 2.999 146 V HA -0.002 4.122 4.120 0.006 0.000 0.307 146 V C 1.325 177.410 176.094 -0.015 0.000 1.084 146 V CA 0.258 62.555 62.300 -0.005 0.000 1.155 146 V CB 1.033 32.857 31.823 0.002 0.000 0.975 146 V HN 0.964 nan 8.190 nan 0.000 0.490 147 S N 2.501 118.193 115.700 -0.013 0.000 2.353 147 S HA -0.261 4.213 4.470 0.006 0.000 0.222 147 S C 1.388 175.973 174.600 -0.025 0.000 1.035 147 S CA 2.055 60.244 58.200 -0.019 0.000 1.025 147 S CB -0.856 62.335 63.200 -0.015 0.000 0.902 147 S HN 1.182 nan 8.310 nan 0.000 0.440 148 N N 0.540 119.227 118.700 -0.022 0.000 2.925 148 N HA -0.150 4.594 4.740 0.006 0.000 0.244 148 N C 0.234 175.728 175.510 -0.026 0.000 1.000 148 N CA 0.894 53.928 53.050 -0.027 0.000 0.895 148 N CB -2.418 36.046 38.487 -0.039 0.000 1.119 148 N HN 0.776 nan 8.380 nan 0.000 0.569 152 K N 4.505 124.894 120.400 -0.019 0.000 2.472 152 K HA 0.506 4.829 4.320 0.006 0.000 0.280 152 K C 1.304 177.893 176.600 -0.018 0.000 1.028 152 K CA 1.949 58.227 56.287 -0.015 0.000 1.045 152 K CB 0.376 32.870 32.500 -0.010 0.000 0.902 152 K HN 2.702 nan 8.250 nan 0.000 0.478 153 G N 2.692 111.480 108.800 -0.019 0.000 2.143 153 G HA2 -0.329 3.634 3.960 0.006 0.000 0.249 153 G HA3 -0.329 3.634 3.960 0.006 0.000 0.249 153 G C 0.844 175.713 174.900 -0.053 0.000 0.981 153 G CA 0.734 45.819 45.100 -0.025 0.000 0.665 153 G HN 0.858 nan 8.290 nan 0.000 0.528 154 S N 0.791 116.460 115.700 -0.051 0.000 2.400 154 S HA -0.172 4.301 4.470 0.006 0.000 0.232 154 S C 1.882 176.433 174.600 -0.081 0.000 1.025 154 S CA 1.921 60.081 58.200 -0.066 0.000 0.993 154 S CB -0.315 62.855 63.200 -0.052 0.000 0.808 154 S HN 0.798 nan 8.310 nan 0.000 0.478 155 D N 1.992 122.353 120.400 -0.065 0.000 2.312 155 D HA -0.046 4.598 4.640 0.006 0.000 0.211 155 D C 1.668 177.917 176.300 -0.086 0.000 0.964 155 D CA 0.444 54.405 54.000 -0.064 0.000 0.877 155 D CB -0.677 40.099 40.800 -0.039 0.000 0.924 155 D HN 0.504 nan 8.370 nan 0.000 0.515 156 L N -0.080 121.076 121.223 -0.112 0.000 2.478 156 L HA 0.096 4.440 4.340 0.006 0.000 0.223 156 L C 0.735 177.400 176.870 -0.343 0.000 1.140 156 L CA -0.075 54.648 54.840 -0.195 0.000 0.842 156 L CB -0.170 41.780 42.059 -0.182 0.000 0.953 156 L HN 0.030 nan 8.230 nan 0.000 0.452 157 C N 0.114 119.262 119.300 -0.253 0.000 2.382 157 C HA 0.456 4.920 4.460 0.006 0.000 0.363 157 C C 0.644 175.513 174.990 -0.202 0.000 1.213 157 C CA -1.128 57.730 59.018 -0.267 0.000 2.363 157 C CB 1.057 28.676 27.740 -0.201 0.000 2.397 157 C HN 0.117 nan 8.230 nan 0.000 0.573 158 L N 1.842 122.941 121.223 -0.206 0.000 2.421 158 L HA 0.561 4.905 4.340 0.006 0.000 0.263 158 L C 0.926 177.694 176.870 -0.169 0.000 1.122 158 L CA 0.225 54.964 54.840 -0.169 0.000 0.804 158 L CB 1.028 42.980 42.059 -0.179 0.000 1.150 158 L HN 0.927 nan 8.230 nan 0.000 0.457 159 T N -3.598 110.862 114.554 -0.158 0.000 2.807 159 T HA 0.218 4.571 4.350 0.006 0.000 0.277 159 T C 0.988 175.546 174.700 -0.237 0.000 1.006 159 T CA -0.021 61.975 62.100 -0.173 0.000 1.006 159 T CB 1.271 70.066 68.868 -0.120 0.000 1.274 159 T HN 0.587 nan 8.240 nan 0.000 0.569 160 S N 0.461 116.015 115.700 -0.243 0.000 2.442 160 S HA -0.128 4.346 4.470 0.006 0.000 0.236 160 S C 1.540 176.063 174.600 -0.128 0.000 1.007 160 S CA 0.896 58.911 58.200 -0.308 0.000 0.965 160 S CB -0.916 62.204 63.200 -0.134 0.000 0.773 160 S HN 0.663 nan 8.310 nan 0.000 0.504 161 N N 1.851 120.516 118.700 -0.058 0.000 2.381 161 N HA -0.002 4.742 4.740 0.006 0.000 0.182 161 N C 1.276 176.809 175.510 0.039 0.000 1.025 161 N CA 1.321 54.376 53.050 0.009 0.000 0.888 161 N CB -0.208 38.249 38.487 -0.050 0.000 0.965 161 N HN 0.621 nan 8.380 nan 0.000 0.438 162 E N -0.840 119.344 120.200 -0.027 0.000 2.465 162 E HA 0.187 4.541 4.350 0.006 0.000 0.209 162 E C 1.305 177.920 176.600 0.025 0.000 0.951 162 E CA -0.243 56.167 56.400 0.017 0.000 0.997 162 E CB 0.157 29.846 29.700 -0.019 0.000 1.025 162 E HN 0.069 nan 8.360 nan 0.000 0.500 163 I N 0.184 120.667 120.570 -0.145 0.000 2.454 163 I HA -0.179 3.995 4.170 0.006 0.000 0.254 163 I C 0.980 177.153 176.117 0.094 0.000 1.156 163 I CA 1.201 62.395 61.300 -0.176 0.000 1.433 163 I CB -0.010 37.619 38.000 -0.619 0.000 1.082 163 I HN 0.021 nan 8.210 nan 0.000 0.432 164 F N 0.129 120.224 119.950 0.242 0.000 2.558 164 F HA -0.029 4.502 4.527 0.006 0.000 0.298 164 F C 1.601 177.650 175.800 0.413 0.000 1.119 164 F CA 0.728 58.897 58.000 0.282 0.000 1.451 164 F CB -0.387 38.596 39.000 -0.028 0.000 1.091 164 F HN 0.106 nan 8.300 nan 0.000 0.563 165 D N 0.040 120.739 120.400 0.498 0.000 2.501 165 D HA 0.172 4.816 4.640 0.006 0.000 0.224 165 D C 0.392 176.944 176.300 0.419 0.000 1.202 165 D CA 0.062 54.300 54.000 0.398 0.000 0.829 165 D CB 0.144 41.109 40.800 0.275 0.000 1.023 165 D HN 0.102 nan 8.370 nan 0.000 0.499 166 L N 1.335 122.891 121.223 0.555 0.000 2.593 166 L HA -0.049 4.295 4.340 0.006 0.000 0.287 166 L C 2.162 179.330 176.870 0.497 0.000 1.243 166 L CA 0.274 55.370 54.840 0.428 0.000 0.890 166 L CB 0.149 42.378 42.059 0.283 0.000 1.134 166 L HN 0.117 nan 8.230 nan 0.000 0.502 167 E N 2.801 123.164 120.200 0.272 0.000 2.118 167 E HA -0.014 4.340 4.350 0.006 0.000 0.195 167 E C 1.005 177.759 176.600 0.257 0.000 0.992 167 E CA 2.055 58.597 56.400 0.237 0.000 0.804 167 E CB -0.268 29.513 29.700 0.135 0.000 0.741 167 E HN 0.681 nan 8.360 nan 0.000 0.458 168 K N -0.867 119.595 120.400 0.104 0.000 2.512 168 K HA 0.748 5.072 4.320 0.006 0.000 0.263 168 K C -0.602 175.731 176.600 -0.445 0.000 0.966 168 K CA -0.301 55.960 56.287 -0.043 0.000 0.851 168 K CB 1.116 33.608 32.500 -0.014 0.000 1.395 168 K HN 0.586 nan 8.250 nan 0.000 0.440 169 L N 3.260 124.150 121.223 -0.556 0.000 2.499 169 L HA 0.323 4.667 4.340 0.006 0.000 0.273 169 L C -1.806 174.871 176.870 -0.323 0.000 1.195 169 L CA -1.096 53.366 54.840 -0.629 0.000 0.882 169 L CB 0.395 42.326 42.059 -0.213 0.000 1.133 169 L HN 0.681 nan 8.230 nan 0.000 0.483 170 P HA 0.212 nan 4.420 nan 0.000 0.274 170 P C -0.054 177.157 177.300 -0.148 0.000 1.237 170 P CA -0.127 62.836 63.100 -0.229 0.000 0.793 170 P CB 0.534 32.052 31.700 -0.303 0.000 0.977 171 K N 0.481 120.820 120.400 -0.102 0.000 2.155 171 K HA 0.062 4.386 4.320 0.006 0.000 0.203 171 K C 1.262 177.822 176.600 -0.066 0.000 1.052 171 K CA 1.549 57.796 56.287 -0.066 0.000 0.948 171 K CB -0.657 31.814 32.500 -0.049 0.000 0.728 171 K HN 0.805 nan 8.250 nan 0.000 0.448 172 S N -1.745 113.902 115.700 -0.088 0.000 2.556 172 S HA 0.750 5.224 4.470 0.006 0.000 0.271 172 S C -0.899 173.622 174.600 -0.132 0.000 1.135 172 S CA -0.680 57.471 58.200 -0.082 0.000 0.858 172 S CB 1.468 64.637 63.200 -0.050 0.000 1.114 172 S HN 0.493 nan 8.310 nan 0.000 0.468 173 I N 1.322 121.811 120.570 -0.136 0.000 2.752 173 I HA 0.599 4.773 4.170 0.006 0.000 0.295 173 I C -1.770 174.278 176.117 -0.114 0.000 1.219 173 I CA -0.940 60.245 61.300 -0.192 0.000 1.030 173 I CB 2.040 39.804 38.000 -0.394 0.000 1.259 173 I HN 0.653 nan 8.210 nan 0.000 0.423 174 V N 7.451 127.301 119.914 -0.106 0.000 2.398 174 V HA 0.465 4.589 4.120 0.006 0.000 0.286 174 V C -0.243 175.800 176.094 -0.084 0.000 1.026 174 V CA -0.590 61.665 62.300 -0.074 0.000 0.868 174 V CB 1.523 33.311 31.823 -0.058 0.000 0.982 174 V HN 0.346 nan 8.190 nan 0.000 0.443 175 I N 5.668 126.208 120.570 -0.051 0.000 2.362 175 I HA 0.358 4.532 4.170 0.006 0.000 0.289 175 I C -0.067 176.031 176.117 -0.031 0.000 0.994 175 I CA -0.658 60.621 61.300 -0.035 0.000 1.158 175 I CB 1.646 39.660 38.000 0.023 0.000 1.315 175 I HN 0.236 nan 8.210 nan 0.000 0.451 176 V N 5.445 125.334 119.914 -0.041 0.000 2.320 176 V HA 0.818 4.942 4.120 0.006 0.000 0.265 176 V C 0.556 176.648 176.094 -0.003 0.000 1.048 176 V CA -0.310 61.974 62.300 -0.026 0.000 0.865 176 V CB 0.499 32.296 31.823 -0.042 0.000 1.043 176 V HN 1.061 nan 8.190 nan 0.000 0.474 177 G N 3.220 112.044 108.800 0.039 0.000 2.634 177 G HA2 0.317 4.281 3.960 0.006 0.000 0.568 177 G HA3 0.317 4.281 3.960 0.006 0.000 0.568 177 G C 0.005 174.971 174.900 0.110 0.000 1.495 177 G CA -0.412 44.741 45.100 0.087 0.000 0.903 177 G HN 1.007 nan 8.290 nan 0.000 0.646 178 G N 0.259 109.193 108.800 0.223 0.000 3.805 178 G HA2 0.641 4.605 3.960 0.006 0.000 0.290 178 G HA3 0.641 4.605 3.960 0.006 0.000 0.290 178 G C 0.881 175.777 174.900 -0.008 0.000 1.077 178 G CA 0.980 46.100 45.100 0.034 0.000 0.852 178 G HN 1.222 nan 8.290 nan 0.000 0.531 179 G N -0.227 108.615 108.800 0.071 0.000 2.535 179 G HA2 0.318 4.282 3.960 0.006 0.000 0.282 179 G HA3 0.318 4.282 3.960 0.006 0.000 0.282 179 G C 0.906 175.832 174.900 0.042 0.000 1.350 179 G CA -0.089 45.067 45.100 0.094 0.000 1.039 179 G HN 0.341 nan 8.290 nan 0.000 0.509 180 Y N -1.143 119.171 120.300 0.023 0.000 2.224 180 Y HA -0.025 4.529 4.550 0.006 0.000 0.289 180 Y C 2.324 178.246 175.900 0.038 0.000 1.146 180 Y CA 1.372 59.462 58.100 -0.016 0.000 1.182 180 Y CB -0.455 38.026 38.460 0.035 0.000 0.983 180 Y HN 0.201 nan 8.280 nan 0.000 0.524 181 I N 1.202 121.370 120.570 -0.670 0.000 2.202 181 I HA -0.173 4.001 4.170 0.006 0.000 0.242 181 I C 2.819 178.961 176.117 0.042 0.000 1.091 181 I CA 1.539 62.624 61.300 -0.359 0.000 1.368 181 I CB -0.922 36.861 38.000 -0.362 0.000 1.058 181 I HN 0.467 nan 8.210 nan 0.000 0.410 182 G N 0.699 109.500 108.800 0.002 0.000 2.418 182 G HA2 -0.219 3.744 3.960 0.006 0.000 0.217 182 G HA3 -0.219 3.744 3.960 0.006 0.000 0.217 182 G C 1.771 176.718 174.900 0.079 0.000 1.158 182 G CA 1.244 46.387 45.100 0.071 0.000 0.771 182 G HN 0.389 nan 8.290 nan 0.000 0.545 183 V N -1.329 118.594 119.914 0.015 0.000 2.515 183 V HA -0.022 4.102 4.120 0.006 0.000 0.250 183 V C 2.212 178.313 176.094 0.012 0.000 1.058 183 V CA 2.309 64.605 62.300 -0.007 0.000 1.064 183 V CB -0.569 31.213 31.823 -0.069 0.000 0.675 183 V HN 0.436 nan 8.190 nan 0.000 0.461 184 E N 0.096 120.295 120.200 -0.001 0.000 2.051 184 E HA -0.108 4.246 4.350 0.006 0.000 0.192 184 E C 1.950 178.484 176.600 -0.110 0.000 0.991 184 E CA 1.832 58.191 56.400 -0.068 0.000 0.799 184 E CB -0.272 29.340 29.700 -0.147 0.000 0.748 184 E HN 0.686 nan 8.360 nan 0.000 0.449 185 F N 0.649 120.624 119.950 0.041 0.000 2.259 185 F HA -0.032 4.499 4.527 0.006 0.000 0.298 185 F C 2.321 178.224 175.800 0.172 0.000 1.088 185 F CA 0.826 58.866 58.000 0.068 0.000 1.358 185 F CB -0.488 38.578 39.000 0.110 0.000 1.040 185 F HN -0.002 nan 8.300 nan 0.000 0.505 186 A N 0.492 123.489 122.820 0.295 0.000 1.892 186 A HA -0.239 4.085 4.320 0.006 0.000 0.218 186 A C 2.173 179.871 177.584 0.191 0.000 1.188 186 A CA 2.171 54.342 52.037 0.224 0.000 0.631 186 A CB -0.839 18.222 19.000 0.101 0.000 0.822 186 A HN 0.374 nan 8.150 nan 0.000 0.447 187 N N -0.332 118.435 118.700 0.111 0.000 2.270 187 N HA -0.040 4.703 4.740 0.006 0.000 0.181 187 N C 1.723 177.279 175.510 0.078 0.000 1.016 187 N CA 1.265 54.370 53.050 0.091 0.000 0.870 187 N CB -0.316 38.204 38.487 0.055 0.000 0.979 187 N HN 0.564 nan 8.380 nan 0.000 0.431 188 I N 0.351 120.932 120.570 0.019 0.000 2.142 188 I HA -0.267 3.907 4.170 0.006 0.000 0.240 188 I C 1.765 177.826 176.117 -0.094 0.000 1.078 188 I CA 1.257 62.498 61.300 -0.098 0.000 1.343 188 I CB -0.241 37.632 38.000 -0.212 0.000 1.046 188 I HN -0.063 nan 8.210 nan 0.000 0.405 189 F N -0.082 119.952 119.950 0.140 0.000 2.146 189 F HA -0.223 4.308 4.527 0.006 0.000 0.298 189 F C 2.649 178.466 175.800 0.028 0.000 1.096 189 F CA 1.918 59.968 58.000 0.082 0.000 1.275 189 F CB -1.072 37.977 39.000 0.082 0.000 1.008 189 F HN 0.133 nan 8.300 nan 0.000 0.480 190 H N -0.295 118.871 119.070 0.161 0.000 2.319 190 H HA -0.106 4.454 4.556 0.006 0.000 0.299 190 H C 2.467 177.802 175.328 0.011 0.000 1.092 190 H CA 1.844 57.933 56.048 0.068 0.000 1.302 190 H CB -0.733 29.055 29.762 0.043 0.000 1.373 190 H HN 0.207 nan 8.280 nan 0.000 0.497 191 G N 0.118 108.911 108.800 -0.011 0.000 2.448 191 G HA2 -0.185 3.778 3.960 0.006 0.000 0.219 191 G HA3 -0.185 3.778 3.960 0.006 0.000 0.219 191 G C 1.401 176.180 174.900 -0.201 0.000 1.127 191 G CA 0.898 45.926 45.100 -0.119 0.000 0.766 191 G HN 0.446 nan 8.290 nan 0.000 0.552 192 L N 0.221 121.331 121.223 -0.188 0.000 2.591 192 L HA 0.297 4.641 4.340 0.006 0.000 0.228 192 L C 1.884 178.698 176.870 -0.093 0.000 1.133 192 L CA 0.427 55.122 54.840 -0.242 0.000 0.880 192 L CB 0.079 41.978 42.059 -0.268 0.000 1.033 192 L HN 0.353 nan 8.230 nan 0.000 0.450 193 G N -0.182 108.544 108.800 -0.122 0.000 2.144 193 G HA2 -0.218 3.746 3.960 0.006 0.000 0.218 193 G HA3 -0.218 3.746 3.960 0.006 0.000 0.218 193 G C 0.097 174.958 174.900 -0.066 0.000 0.988 193 G CA -0.183 44.854 45.100 -0.106 0.000 0.659 193 G HN 0.068 nan 8.290 nan 0.000 0.522 194 V N 0.823 120.720 119.914 -0.028 0.000 2.498 194 V HA 0.484 4.608 4.120 0.006 0.000 0.279 194 V C 0.894 176.997 176.094 0.016 0.000 1.048 194 V CA -0.526 61.777 62.300 0.006 0.000 0.967 194 V CB 1.572 33.429 31.823 0.058 0.000 0.988 194 V HN 0.386 nan 8.190 nan 0.000 0.473 195 K N 3.719 124.123 120.400 0.006 0.000 2.402 195 K HA 0.204 4.527 4.320 0.006 0.000 0.285 195 K C -0.170 176.455 176.600 0.040 0.000 1.054 195 K CA 0.534 56.844 56.287 0.037 0.000 1.001 195 K CB 0.013 32.521 32.500 0.014 0.000 0.946 195 K HN 0.830 nan 8.250 nan 0.000 0.473 196 T N 3.922 118.533 114.554 0.094 0.000 2.807 196 T HA 0.376 4.730 4.350 0.006 0.000 0.279 196 T C -0.890 173.828 174.700 0.030 0.000 0.993 196 T CA -0.700 61.445 62.100 0.074 0.000 0.970 196 T CB 1.459 70.422 68.868 0.158 0.000 0.950 196 T HN 0.530 nan 8.240 nan 0.000 0.441 197 T N 3.600 118.152 114.554 -0.004 0.000 2.812 197 T HA 0.586 4.940 4.350 0.006 0.000 0.282 197 T C -0.755 173.922 174.700 -0.038 0.000 0.990 197 T CA -0.585 61.497 62.100 -0.029 0.000 0.960 197 T CB 1.096 69.943 68.868 -0.035 0.000 0.948 197 T HN 0.432 nan 8.240 nan 0.000 0.438 198 L N 4.586 125.771 121.223 -0.064 0.000 2.322 198 L HA 0.669 5.013 4.340 0.006 0.000 0.281 198 L C -1.347 175.463 176.870 -0.099 0.000 1.014 198 L CA -0.925 53.876 54.840 -0.066 0.000 0.815 198 L CB 0.739 42.755 42.059 -0.071 0.000 1.247 198 L HN 0.562 nan 8.230 nan 0.000 0.421 199 L N 4.349 125.539 121.223 -0.056 0.000 2.317 199 L HA 0.525 4.868 4.340 0.006 0.000 0.281 199 L C -1.035 175.858 176.870 0.038 0.000 1.024 199 L CA -0.759 54.055 54.840 -0.044 0.000 0.810 199 L CB 1.526 43.566 42.059 -0.032 0.000 1.240 199 L HN 0.604 nan 8.230 nan 0.000 0.427 200 H N 1.188 120.213 119.070 -0.074 0.000 2.759 200 H HA 0.481 5.041 4.556 0.006 0.000 0.354 200 H C 0.432 175.819 175.328 0.098 0.000 1.074 200 H CA -0.124 55.943 56.048 0.032 0.000 1.226 200 H CB 1.594 31.420 29.762 0.107 0.000 1.648 200 H HN 0.525 nan 8.280 nan 0.000 0.529 201 R N 2.913 123.137 120.500 -0.460 0.000 2.148 201 R HA 0.178 4.522 4.340 0.006 0.000 0.227 201 R C 1.192 177.335 176.300 -0.263 0.000 1.103 201 R CA 1.320 57.247 56.100 -0.288 0.000 0.983 201 R CB -0.790 29.380 30.300 -0.217 0.000 0.874 201 R HN 0.703 nan 8.270 nan 0.000 0.451 202 G N -0.030 108.469 108.800 -0.502 0.000 2.782 202 G HA2 0.305 4.269 3.960 0.006 0.000 0.201 202 G HA3 0.305 4.269 3.960 0.006 0.000 0.201 202 G C 0.128 175.125 174.900 0.161 0.000 1.374 202 G CA 0.510 45.561 45.100 -0.082 0.000 1.039 202 G HN 0.361 nan 8.290 nan 0.000 0.576 203 D N -1.808 118.625 120.400 0.055 0.000 2.366 203 D HA 0.148 4.792 4.640 0.006 0.000 0.205 203 D C 0.334 176.189 176.300 -0.742 0.000 1.022 203 D CA 0.182 54.053 54.000 -0.216 0.000 0.868 203 D CB 0.642 41.364 40.800 -0.130 0.000 0.953 203 D HN 0.154 nan 8.370 nan 0.000 0.514 204 L N 1.125 122.115 121.223 -0.389 0.000 2.592 204 L HA 0.319 4.663 4.340 0.006 0.000 0.258 204 L C -0.663 176.093 176.870 -0.190 0.000 0.926 204 L CA -1.100 53.481 54.840 -0.430 0.000 0.885 204 L CB 1.859 43.780 42.059 -0.230 0.000 1.380 204 L HN 0.092 nan 8.230 nan 0.000 0.415 205 I N 2.020 122.511 120.570 -0.132 0.000 3.205 205 I HA 0.177 4.351 4.170 0.006 0.000 0.287 205 I C 0.371 176.357 176.117 -0.219 0.000 1.266 205 I CA -0.394 60.705 61.300 -0.335 0.000 1.378 205 I CB 0.038 37.925 38.000 -0.188 0.000 1.347 205 I HN 0.729 nan 8.210 nan 0.000 0.603 206 L N 1.364 122.473 121.223 -0.190 0.000 3.713 206 L HA -0.196 4.148 4.340 0.006 0.000 0.499 206 L C 0.693 177.652 176.870 0.148 0.000 1.281 206 L CA 0.342 55.129 54.840 -0.088 0.000 0.796 206 L CB -1.493 40.302 42.059 -0.440 0.000 1.535 206 L HN 0.755 nan 8.230 nan 0.000 0.851 207 R N 1.108 121.708 120.500 0.167 0.000 2.638 207 R HA -0.034 4.310 4.340 0.006 0.000 0.268 207 R C 1.302 177.748 176.300 0.244 0.000 1.006 207 R CA 1.356 57.571 56.100 0.191 0.000 1.088 207 R CB 0.073 30.486 30.300 0.188 0.000 0.950 207 R HN 0.581 nan 8.270 nan 0.000 0.419 208 N N -0.433 118.362 118.700 0.158 0.000 2.984 208 N HA -0.230 4.513 4.740 0.006 0.000 0.227 208 N C -0.953 174.535 175.510 -0.038 0.000 0.903 208 N CA 0.825 53.906 53.050 0.052 0.000 0.995 208 N CB -0.909 37.572 38.487 -0.009 0.000 1.065 208 N HN 0.242 nan 8.380 nan 0.000 0.585 209 F N 1.788 121.737 119.950 -0.002 0.000 2.378 209 F HA 0.246 4.777 4.527 0.006 0.000 0.325 209 F C 1.208 176.979 175.800 -0.049 0.000 1.097 209 F CA -0.881 57.105 58.000 -0.022 0.000 1.079 209 F CB 0.431 39.411 39.000 -0.033 0.000 1.240 209 F HN -0.092 nan 8.300 nan 0.000 0.519 210 D N 1.031 121.460 120.400 0.048 0.000 2.525 210 D HA -0.196 4.447 4.640 0.006 0.000 0.235 210 D C 0.910 177.223 176.300 0.021 0.000 1.137 210 D CA 0.304 54.257 54.000 -0.078 0.000 0.868 210 D CB 0.440 40.965 40.800 -0.459 0.000 1.180 210 D HN 0.673 nan 8.370 nan 0.000 0.465 211 Y N 4.262 124.536 120.300 -0.043 0.000 2.165 211 Y HA -0.254 4.300 4.550 0.006 0.000 0.286 211 Y C 1.667 177.515 175.900 -0.086 0.000 1.155 211 Y CA 1.942 60.018 58.100 -0.040 0.000 1.164 211 Y CB 0.065 38.512 38.460 -0.022 0.000 0.978 211 Y HN 0.434 nan 8.280 nan 0.000 0.513 212 D N 0.398 120.688 120.400 -0.183 0.000 2.123 212 D HA -0.196 4.448 4.640 0.006 0.000 0.196 212 D C 2.247 178.207 176.300 -0.567 0.000 0.992 212 D CA 1.809 55.542 54.000 -0.445 0.000 0.833 212 D CB -0.339 40.228 40.800 -0.388 0.000 0.954 212 D HN 0.447 nan 8.370 nan 0.000 0.455 213 L N 0.432 121.445 121.223 -0.350 0.000 2.046 213 L HA -0.146 4.197 4.340 0.006 0.000 0.208 213 L C 2.632 179.327 176.870 -0.292 0.000 1.077 213 L CA 1.132 55.813 54.840 -0.264 0.000 0.747 213 L CB -0.302 41.727 42.059 -0.050 0.000 0.896 213 L HN -0.069 nan 8.230 nan 0.000 0.432 214 R N -0.410 119.916 120.500 -0.291 0.000 2.066 214 R HA -0.189 4.155 4.340 0.006 0.000 0.232 214 R C 2.343 178.438 176.300 -0.343 0.000 1.131 214 R CA 1.408 57.340 56.100 -0.280 0.000 0.955 214 R CB -0.313 29.864 30.300 -0.206 0.000 0.851 214 R HN 0.236 nan 8.270 nan 0.000 0.432 215 Q N 1.062 120.535 119.800 -0.546 0.000 2.049 215 Q HA -0.040 4.304 4.340 0.006 0.000 0.198 215 Q C 1.986 177.785 176.000 -0.334 0.000 0.971 215 Q CA 1.372 56.872 55.803 -0.505 0.000 0.833 215 Q CB -0.115 28.133 28.738 -0.816 0.000 0.896 215 Q HN 0.282 nan 8.270 nan 0.000 0.434 216 L N -0.147 120.853 121.223 -0.372 0.000 2.046 216 L HA -0.165 4.179 4.340 0.006 0.000 0.208 216 L C 2.244 178.993 176.870 -0.202 0.000 1.077 216 L CA 0.741 55.413 54.840 -0.280 0.000 0.747 216 L CB -0.573 41.273 42.059 -0.356 0.000 0.896 216 L HN 0.316 nan 8.230 nan 0.000 0.432 217 L N 0.494 121.590 121.223 -0.211 0.000 2.027 217 L HA -0.218 4.126 4.340 0.006 0.000 0.206 217 L C 2.177 178.969 176.870 -0.129 0.000 1.074 217 L CA 2.050 56.794 54.840 -0.160 0.000 0.745 217 L CB -0.835 41.118 42.059 -0.176 0.000 0.898 217 L HN 0.296 nan 8.230 nan 0.000 0.433 218 N N -0.591 118.033 118.700 -0.127 0.000 2.061 218 N HA -0.251 4.493 4.740 0.006 0.000 0.193 218 N C 1.509 176.982 175.510 -0.062 0.000 1.030 218 N CA 2.061 55.072 53.050 -0.065 0.000 0.856 218 N CB -0.187 38.288 38.487 -0.020 0.000 1.023 218 N HN 0.423 nan 8.380 nan 0.000 0.424 219 D N -0.375 119.977 120.400 -0.080 0.000 2.144 219 D HA -0.030 4.614 4.640 0.006 0.000 0.200 219 D C 1.818 178.079 176.300 -0.065 0.000 0.978 219 D CA 1.195 55.158 54.000 -0.062 0.000 0.833 219 D CB -0.569 40.190 40.800 -0.068 0.000 0.961 219 D HN 0.483 nan 8.370 nan 0.000 0.470 220 A N 0.391 123.164 122.820 -0.079 0.000 1.969 220 A HA -0.106 4.217 4.320 0.006 0.000 0.218 220 A C 2.214 179.745 177.584 -0.090 0.000 1.169 220 A CA 1.018 53.011 52.037 -0.073 0.000 0.635 220 A CB -0.438 18.519 19.000 -0.072 0.000 0.810 220 A HN 0.130 nan 8.150 nan 0.000 0.445 221 M N -0.916 118.622 119.600 -0.103 0.000 2.099 221 M HA -0.105 4.379 4.480 0.006 0.000 0.262 221 M C 2.083 178.291 176.300 -0.154 0.000 1.067 221 M CA 1.300 56.514 55.300 -0.144 0.000 1.124 221 M CB -0.361 32.164 32.600 -0.125 0.000 1.353 221 M HN 0.230 nan 8.290 nan 0.000 0.410 222 V N 0.381 120.236 119.914 -0.099 0.000 2.358 222 V HA -0.227 3.897 4.120 0.006 0.000 0.246 222 V C 2.616 178.671 176.094 -0.065 0.000 1.047 222 V CA 1.949 64.203 62.300 -0.076 0.000 1.035 222 V CB -1.190 30.611 31.823 -0.037 0.000 0.658 222 V HN 0.514 nan 8.190 nan 0.000 0.452 223 A N 1.109 123.895 122.820 -0.056 0.000 1.933 223 A HA -0.240 4.084 4.320 0.006 0.000 0.218 223 A C 2.207 179.771 177.584 -0.034 0.000 1.175 223 A CA 2.065 54.081 52.037 -0.035 0.000 0.628 223 A CB -0.411 18.573 19.000 -0.027 0.000 0.814 223 A HN 0.745 nan 8.150 nan 0.000 0.444 224 K N -2.089 118.268 120.400 -0.072 0.000 2.426 224 K HA 0.334 4.658 4.320 0.006 0.000 0.193 224 K C 0.917 177.486 176.600 -0.053 0.000 1.028 224 K CA 0.860 57.118 56.287 -0.048 0.000 1.047 224 K CB -0.040 32.425 32.500 -0.058 0.000 0.821 224 K HN 0.776 nan 8.250 nan 0.000 0.513 225 G N 1.232 109.962 108.800 -0.116 0.000 2.198 225 G HA2 -0.099 3.864 3.960 0.006 0.000 0.156 225 G HA3 -0.099 3.864 3.960 0.006 0.000 0.156 225 G C -0.142 174.713 174.900 -0.075 0.000 1.012 225 G CA -0.470 44.620 45.100 -0.018 0.000 0.692 225 G HN 0.186 nan 8.290 nan 0.000 0.492 226 I N 2.189 122.613 120.570 -0.243 0.000 2.441 226 I HA 0.414 4.588 4.170 0.006 0.000 0.287 226 I C 0.903 176.964 176.117 -0.093 0.000 1.049 226 I CA -0.259 60.946 61.300 -0.159 0.000 1.381 226 I CB 1.652 39.520 38.000 -0.220 0.000 1.409 226 I HN 0.164 nan 8.210 nan 0.000 0.523 227 S N 7.597 123.262 115.700 -0.059 0.000 2.489 227 S HA 0.533 5.007 4.470 0.006 0.000 0.277 227 S C -0.513 174.023 174.600 -0.107 0.000 1.230 227 S CA -0.542 57.619 58.200 -0.065 0.000 1.053 227 S CB 0.147 63.322 63.200 -0.042 0.000 0.955 227 S HN 0.422 nan 8.310 nan 0.000 0.488 228 I N 6.035 126.513 120.570 -0.153 0.000 2.410 228 I HA 0.419 4.592 4.170 0.006 0.000 0.286 228 I C -0.573 175.333 176.117 -0.352 0.000 1.009 228 I CA -0.583 60.541 61.300 -0.292 0.000 1.111 228 I CB 1.585 39.360 38.000 -0.374 0.000 1.262 228 I HN 0.529 nan 8.210 nan 0.000 0.443 229 I N 6.368 126.742 120.570 -0.328 0.000 2.339 229 I HA 0.340 4.514 4.170 0.006 0.000 0.290 229 I C -0.696 175.261 176.117 -0.266 0.000 0.994 229 I CA -0.589 60.581 61.300 -0.216 0.000 1.191 229 I CB 0.974 38.916 38.000 -0.095 0.000 1.343 229 I HN 0.394 nan 8.210 nan 0.000 0.458 230 Y N 3.547 123.877 120.300 0.049 0.000 2.519 230 Y HA 0.259 4.813 4.550 0.006 0.000 0.324 230 Y C 0.942 176.859 175.900 0.028 0.000 1.214 230 Y CA -0.782 57.359 58.100 0.070 0.000 1.260 230 Y CB 0.727 39.237 38.460 0.083 0.000 1.311 230 Y HN 0.503 nan 8.280 nan 0.000 0.505 231 E N -1.565 118.766 120.200 0.219 0.000 2.539 231 E HA -0.217 4.137 4.350 0.006 0.000 0.253 231 E C -0.814 175.809 176.600 0.039 0.000 1.145 231 E CA 0.852 57.302 56.400 0.084 0.000 0.738 231 E CB -1.651 28.093 29.700 0.074 0.000 1.308 231 E HN 0.572 nan 8.360 nan 0.000 0.409 232 A N 0.722 123.558 122.820 0.026 0.000 2.260 232 A HA 0.552 4.876 4.320 0.006 0.000 0.314 232 A C 0.228 177.799 177.584 -0.021 0.000 1.257 232 A CA -0.171 51.867 52.037 0.001 0.000 0.871 232 A CB 0.929 19.925 19.000 -0.006 0.000 1.166 232 A HN 0.024 nan 8.150 nan 0.000 0.522 233 T N 2.395 116.937 114.554 -0.019 0.000 2.792 233 T HA 0.425 4.779 4.350 0.006 0.000 0.280 233 T C -0.087 174.601 174.700 -0.020 0.000 0.990 233 T CA -0.316 61.770 62.100 -0.024 0.000 0.960 233 T CB 1.245 70.100 68.868 -0.021 0.000 0.939 233 T HN 0.403 nan 8.240 nan 0.000 0.439 234 V N 3.253 123.153 119.914 -0.023 0.000 2.555 234 V HA 0.185 4.308 4.120 0.006 0.000 0.286 234 V C 1.394 177.477 176.094 -0.019 0.000 1.044 234 V CA 0.170 62.457 62.300 -0.022 0.000 1.026 234 V CB 1.418 33.224 31.823 -0.029 0.000 0.981 234 V HN 1.053 nan 8.190 nan 0.000 0.480 235 S N 3.578 119.269 115.700 -0.015 0.000 2.398 235 S HA 0.102 4.576 4.470 0.006 0.000 0.220 235 S C 0.520 175.112 174.600 -0.013 0.000 1.046 235 S CA 0.685 58.877 58.200 -0.013 0.000 0.953 235 S CB 0.180 63.374 63.200 -0.009 0.000 0.856 235 S HN 0.918 nan 8.310 nan 0.000 0.506 236 Q N -0.390 119.403 119.800 -0.012 0.000 2.482 236 Q HA 0.650 4.993 4.340 0.006 0.000 0.286 236 Q C -1.919 174.077 176.000 -0.008 0.000 1.007 236 Q CA -1.065 54.732 55.803 -0.010 0.000 0.801 236 Q CB 1.910 30.646 28.738 -0.005 0.000 1.455 236 Q HN 0.082 nan 8.270 nan 0.000 0.398 237 V N 1.633 121.543 119.914 -0.007 0.000 2.444 237 V HA 0.379 4.503 4.120 0.006 0.000 0.294 237 V C -0.843 175.275 176.094 0.040 0.000 1.022 237 V CA -0.549 61.755 62.300 0.007 0.000 0.850 237 V CB 1.445 33.246 31.823 -0.036 0.000 0.992 237 V HN 0.730 nan 8.190 nan 0.000 0.426 238 Q N 2.257 122.100 119.800 0.072 0.000 2.337 238 Q HA 0.587 4.931 4.340 0.006 0.000 0.266 238 Q C -0.490 175.585 176.000 0.125 0.000 1.023 238 Q CA -0.553 55.295 55.803 0.075 0.000 0.829 238 Q CB 2.313 31.072 28.738 0.034 0.000 1.306 238 Q HN 0.584 nan 8.270 nan 0.000 0.449 239 S N 1.591 117.358 115.700 0.111 0.000 2.528 239 S HA 0.378 4.852 4.470 0.006 0.000 0.277 239 S C -0.293 174.271 174.600 -0.061 0.000 1.297 239 S CA -0.118 58.101 58.200 0.033 0.000 1.052 239 S CB 0.270 63.499 63.200 0.048 0.000 0.917 239 S HN 0.642 nan 8.310 nan 0.000 0.492 240 T N 0.817 115.280 114.554 -0.152 0.000 2.907 240 T HA 0.446 4.800 4.350 0.006 0.000 0.290 240 T C 0.878 175.477 174.700 -0.169 0.000 1.066 240 T CA -0.789 61.238 62.100 -0.121 0.000 1.012 240 T CB 1.338 70.153 68.868 -0.088 0.000 1.184 240 T HN 0.568 nan 8.240 nan 0.000 0.522 241 E N 0.452 120.581 120.200 -0.118 0.000 2.110 241 E HA -0.153 4.201 4.350 0.006 0.000 0.193 241 E C 1.194 177.713 176.600 -0.134 0.000 0.988 241 E CA 1.493 57.825 56.400 -0.113 0.000 0.804 241 E CB -0.153 29.503 29.700 -0.073 0.000 0.745 241 E HN 0.746 nan 8.360 nan 0.000 0.458 242 N N -1.203 117.420 118.700 -0.128 0.000 2.236 242 N HA 0.132 4.875 4.740 0.006 0.000 0.196 242 N C -0.915 174.507 175.510 -0.147 0.000 1.114 242 N CA 0.122 53.102 53.050 -0.118 0.000 0.859 242 N CB 0.754 39.194 38.487 -0.078 0.000 0.982 242 N HN 0.221 nan 8.380 nan 0.000 0.493 243 c N -2.743 115.726 118.600 -0.219 0.000 2.951 243 c HA 0.269 4.843 4.570 0.006 0.000 0.331 243 c C -1.626 172.278 174.090 -0.311 0.000 1.256 243 c CA -1.875 54.312 56.329 -0.238 0.000 1.176 243 c CB -0.364 42.087 42.510 -0.098 0.000 1.349 243 c HN 0.043 nan 8.230 nan 0.000 0.473 244 Y N 1.370 121.640 120.300 -0.050 0.000 2.316 244 Y HA 0.469 5.023 4.550 0.006 0.000 0.331 244 Y C 0.746 176.619 175.900 -0.044 0.000 1.083 244 Y CA 0.395 58.467 58.100 -0.047 0.000 1.206 244 Y CB 0.596 39.023 38.460 -0.055 0.000 1.195 244 Y HN 0.741 nan 8.280 nan 0.000 0.497 245 N N 2.326 121.085 118.700 0.098 0.000 2.426 245 N HA 0.315 5.058 4.740 0.006 0.000 0.257 245 N C -1.545 173.992 175.510 0.044 0.000 1.002 245 N CA -0.254 52.823 53.050 0.045 0.000 0.942 245 N CB 0.785 39.282 38.487 0.017 0.000 1.112 245 N HN 0.338 nan 8.380 nan 0.000 0.499 246 V N 4.111 124.040 119.914 0.025 0.000 2.364 246 V HA 0.307 4.431 4.120 0.006 0.000 0.272 246 V C -0.097 175.997 176.094 -0.001 0.000 1.036 246 V CA -0.728 61.576 62.300 0.006 0.000 0.880 246 V CB 1.132 32.950 31.823 -0.008 0.000 0.991 246 V HN 0.329 nan 8.190 nan 0.000 0.460 247 V N 6.944 126.856 119.914 -0.002 0.000 2.370 247 V HA 0.448 4.572 4.120 0.006 0.000 0.283 247 V C 0.134 176.223 176.094 -0.008 0.000 1.023 247 V CA -0.472 61.825 62.300 -0.004 0.000 0.857 247 V CB 1.470 33.291 31.823 -0.002 0.000 0.985 247 V HN 0.623 nan 8.190 nan 0.000 0.443 248 L N 3.492 124.710 121.223 -0.008 0.000 2.416 248 L HA 0.362 4.705 4.340 0.006 0.000 0.262 248 L C 1.864 178.730 176.870 -0.007 0.000 1.093 248 L CA -0.383 54.452 54.840 -0.009 0.000 0.801 248 L CB 1.432 43.486 42.059 -0.008 0.000 1.191 248 L HN 0.820 nan 8.230 nan 0.000 0.459 249 T N -2.800 111.750 114.554 -0.007 0.000 3.007 249 T HA -0.126 4.228 4.350 0.006 0.000 0.270 249 T C 1.150 175.848 174.700 -0.003 0.000 1.107 249 T CA 1.092 63.188 62.100 -0.006 0.000 1.118 249 T CB -0.468 68.396 68.868 -0.007 0.000 0.889 249 T HN 0.726 nan 8.240 nan 0.000 0.506 250 N N 1.233 119.932 118.700 -0.002 0.000 2.336 250 N HA 0.240 4.984 4.740 0.006 0.000 0.189 250 N C 1.497 177.007 175.510 0.000 0.000 1.113 250 N CA 0.651 53.702 53.050 0.001 0.000 0.858 250 N CB -0.181 38.308 38.487 0.004 0.000 0.970 250 N HN 0.600 nan 8.380 nan 0.000 0.471 251 G N -2.232 106.567 108.800 -0.001 0.000 2.232 251 G HA2 -0.256 3.708 3.960 0.006 0.000 0.226 251 G HA3 -0.256 3.708 3.960 0.006 0.000 0.226 251 G C 0.285 175.184 174.900 -0.002 0.000 0.996 251 G CA 0.356 45.455 45.100 -0.002 0.000 0.626 251 G HN 0.872 nan 8.290 nan 0.000 0.509 252 Q N 0.420 120.219 119.800 -0.002 0.000 2.392 252 Q HA 0.625 4.969 4.340 0.006 0.000 0.262 252 Q C 0.614 176.611 176.000 -0.005 0.000 1.003 252 Q CA 1.175 56.977 55.803 -0.003 0.000 0.888 252 Q CB 0.153 28.889 28.738 -0.003 0.000 1.260 252 Q HN 1.936 nan 8.270 nan 0.000 0.435 253 T N -0.886 113.665 114.554 -0.006 0.000 2.893 253 T HA 0.786 5.140 4.350 0.006 0.000 0.291 253 T C -0.464 174.231 174.700 -0.007 0.000 1.028 253 T CA -0.736 61.361 62.100 -0.006 0.000 0.995 253 T CB 0.960 69.825 68.868 -0.004 0.000 1.051 253 T HN 0.686 nan 8.240 nan 0.000 0.470 254 I N 1.413 121.979 120.570 -0.007 0.000 2.478 254 I HA 0.361 4.535 4.170 0.006 0.000 0.287 254 I C -0.381 175.735 176.117 -0.003 0.000 1.042 254 I CA -0.967 60.328 61.300 -0.009 0.000 1.067 254 I CB 1.170 39.161 38.000 -0.015 0.000 1.233 254 I HN 0.812 nan 8.210 nan 0.000 0.431 255 c N 6.200 124.796 118.600 -0.006 0.000 2.255 255 c HA 0.873 5.447 4.570 0.006 0.000 0.326 255 c C 0.464 174.550 174.090 -0.007 0.000 1.258 255 c CA 0.077 56.404 56.329 -0.004 0.000 1.676 255 c CB -0.096 42.404 42.510 -0.017 0.000 2.314 255 c HN 0.927 nan 8.230 nan 0.000 0.509 256 A N 4.682 127.509 122.820 0.011 0.000 2.498 256 A HA 0.551 4.875 4.320 0.006 0.000 0.298 256 A C 0.453 178.054 177.584 0.029 0.000 1.075 256 A CA -0.302 51.735 52.037 0.000 0.000 0.714 256 A CB 0.929 19.919 19.000 -0.015 0.000 1.299 256 A HN 0.729 nan 8.150 nan 0.000 0.407 257 D N 0.437 120.830 120.400 -0.012 0.000 2.144 257 D HA -0.029 4.615 4.640 0.006 0.000 0.199 257 D C 0.407 176.781 176.300 0.122 0.000 0.984 257 D CA 1.510 55.508 54.000 -0.002 0.000 0.834 257 D CB 0.194 40.958 40.800 -0.061 0.000 0.955 257 D HN 0.371 nan 8.370 nan 0.000 0.465 258 R N -0.677 119.840 120.500 0.028 0.000 2.808 258 R HA 0.572 4.916 4.340 0.006 0.000 0.272 258 R C -1.109 175.118 176.300 -0.122 0.000 0.995 258 R CA -0.814 55.266 56.100 -0.035 0.000 0.917 258 R CB 2.318 32.516 30.300 -0.169 0.000 1.217 258 R HN -0.250 nan 8.270 nan 0.000 0.471 259 V N 2.495 122.281 119.914 -0.213 0.000 2.483 259 V HA 0.481 4.605 4.120 0.006 0.000 0.297 259 V C -0.124 175.839 176.094 -0.218 0.000 1.027 259 V CA -0.667 61.513 62.300 -0.201 0.000 0.855 259 V CB 1.945 33.643 31.823 -0.209 0.000 0.995 259 V HN 0.629 nan 8.190 nan 0.000 0.424 260 M N 5.887 125.374 119.600 -0.188 0.000 2.294 260 M HA 0.615 5.098 4.480 0.006 0.000 0.335 260 M C -1.609 174.604 176.300 -0.146 0.000 1.079 260 M CA -0.644 54.543 55.300 -0.189 0.000 0.982 260 M CB 1.507 33.978 32.600 -0.216 0.000 1.651 260 M HN 0.542 nan 8.290 nan 0.000 0.437 261 L N 4.715 125.853 121.223 -0.142 0.000 2.276 261 L HA 0.582 4.926 4.340 0.006 0.000 0.286 261 L C 0.084 176.891 176.870 -0.104 0.000 1.061 261 L CA -0.478 54.299 54.840 -0.105 0.000 0.807 261 L CB 1.411 43.414 42.059 -0.094 0.000 1.177 261 L HN 0.879 nan 8.230 nan 0.000 0.429 262 A N 1.212 123.988 122.820 -0.072 0.000 3.297 262 A HA 0.383 4.707 4.320 0.006 0.000 0.304 262 A C 0.570 178.135 177.584 -0.032 0.000 0.963 262 A CA -0.292 51.706 52.037 -0.065 0.000 0.935 262 A CB -0.077 18.890 19.000 -0.056 0.000 1.093 262 A HN 0.750 nan 8.150 nan 0.000 0.480 263 T N -2.846 111.692 114.554 -0.026 0.000 3.085 263 T HA 0.536 4.890 4.350 0.006 0.000 0.264 263 T C 0.767 175.473 174.700 0.011 0.000 1.019 263 T CA 0.357 62.456 62.100 -0.002 0.000 0.910 263 T CB 0.178 69.039 68.868 -0.011 0.000 1.059 263 T HN 2.017 nan 8.240 nan 0.000 0.542 264 G N 0.936 109.740 108.800 0.007 0.000 2.375 264 G HA2 0.251 4.215 3.960 0.006 0.000 0.663 264 G HA3 0.251 4.215 3.960 0.006 0.000 0.663 264 G C -1.571 173.342 174.900 0.021 0.000 1.391 264 G CA -1.379 43.737 45.100 0.027 0.000 0.949 264 G HN 0.460 nan 8.290 nan 0.000 0.646 265 R N -0.744 119.778 120.500 0.037 0.000 2.686 265 R HA 0.776 5.120 4.340 0.006 0.000 0.286 265 R C 0.117 176.438 176.300 0.034 0.000 0.969 265 R CA -0.849 55.271 56.100 0.032 0.000 0.898 265 R CB 2.504 32.831 30.300 0.045 0.000 1.183 265 R HN 1.131 nan 8.270 nan 0.000 0.456 266 V N -0.448 119.482 119.914 0.026 0.000 2.960 266 V HA 0.641 4.764 4.120 0.006 0.000 0.315 266 V C -2.614 173.491 176.094 0.017 0.000 1.087 266 V CA -3.303 59.014 62.300 0.028 0.000 0.982 266 V CB 1.834 33.679 31.823 0.037 0.000 1.039 266 V HN 0.539 nan 8.190 nan 0.000 0.437 267 P HA 0.057 nan 4.420 nan 0.000 0.261 267 P C -0.669 176.635 177.300 0.007 0.000 1.173 267 P CA 0.516 63.617 63.100 0.001 0.000 0.760 267 P CB 0.075 31.776 31.700 0.001 0.000 0.783 268 N N 2.496 121.199 118.700 0.006 0.000 2.719 268 N HA 0.098 4.842 4.740 0.006 0.000 0.243 268 N C 0.186 175.707 175.510 0.018 0.000 1.104 268 N CA -0.021 53.035 53.050 0.011 0.000 0.981 268 N CB -0.443 38.050 38.487 0.011 0.000 1.290 268 N HN 0.283 nan 8.380 nan 0.000 0.513 269 T N -2.398 112.165 114.554 0.016 0.000 3.058 269 T HA 0.166 4.520 4.350 0.006 0.000 0.278 269 T C 0.345 175.054 174.700 0.015 0.000 0.974 269 T CA -0.248 61.863 62.100 0.019 0.000 0.893 269 T CB -0.260 68.611 68.868 0.005 0.000 1.138 269 T HN 0.155 nan 8.240 nan 0.000 0.529 270 T N 2.209 116.770 114.554 0.012 0.000 2.884 270 T HA 0.498 4.852 4.350 0.006 0.000 0.298 270 T C 1.378 176.088 174.700 0.017 0.000 0.998 270 T CA 0.562 62.667 62.100 0.008 0.000 1.124 270 T CB 0.646 69.516 68.868 0.002 0.000 0.931 270 T HN 0.755 nan 8.240 nan 0.000 0.531 271 G N 1.759 110.569 108.800 0.017 0.000 2.179 271 G HA2 -0.221 3.742 3.960 0.006 0.000 0.257 271 G HA3 -0.221 3.742 3.960 0.006 0.000 0.257 271 G C 0.570 175.496 174.900 0.043 0.000 1.010 271 G CA 0.290 45.404 45.100 0.023 0.000 0.736 271 G HN 0.666 nan 8.290 nan 0.000 0.513 272 L N -0.078 121.182 121.223 0.062 0.000 2.554 272 L HA 0.543 4.887 4.340 0.006 0.000 0.225 272 L C 2.015 179.003 176.870 0.198 0.000 1.104 272 L CA 1.663 56.574 54.840 0.118 0.000 0.866 272 L CB -0.091 42.049 42.059 0.135 0.000 1.047 272 L HN 1.421 nan 8.230 nan 0.000 0.468 273 G N -0.508 108.364 108.800 0.121 0.000 2.136 273 G HA2 -0.301 3.663 3.960 0.006 0.000 0.242 273 G HA3 -0.301 3.663 3.960 0.006 0.000 0.242 273 G C 0.992 175.900 174.900 0.012 0.000 0.989 273 G CA 0.559 45.729 45.100 0.117 0.000 0.682 273 G HN 0.382 nan 8.290 nan 0.000 0.522 274 L N 0.574 121.760 121.223 -0.062 0.000 2.131 274 L HA -0.083 4.261 4.340 0.006 0.000 0.210 274 L C 2.962 179.684 176.870 -0.246 0.000 1.092 274 L CA 1.899 56.571 54.840 -0.279 0.000 0.759 274 L CB -0.283 41.669 42.059 -0.180 0.000 0.903 274 L HN 0.583 nan 8.230 nan 0.000 0.435 275 E N 0.752 120.873 120.200 -0.132 0.000 2.268 275 E HA -0.235 4.119 4.350 0.006 0.000 0.195 275 E C 2.018 178.559 176.600 -0.098 0.000 0.995 275 E CA 1.014 57.351 56.400 -0.105 0.000 0.836 275 E CB -0.238 29.424 29.700 -0.063 0.000 0.763 275 E HN 0.474 nan 8.360 nan 0.000 0.491 276 R N 0.524 120.971 120.500 -0.088 0.000 2.115 276 R HA 0.104 4.447 4.340 0.006 0.000 0.226 276 R C 2.292 178.529 176.300 -0.104 0.000 1.100 276 R CA 1.266 57.332 56.100 -0.056 0.000 0.980 276 R CB -0.163 30.143 30.300 0.011 0.000 0.875 276 R HN 0.281 nan 8.270 nan 0.000 0.445 277 A N -0.248 122.420 122.820 -0.253 0.000 2.178 277 A HA 0.209 4.533 4.320 0.006 0.000 0.211 277 A C 1.399 178.821 177.584 -0.269 0.000 1.157 277 A CA 0.740 52.575 52.037 -0.337 0.000 0.780 277 A CB -0.039 18.477 19.000 -0.806 0.000 0.828 277 A HN 0.413 nan 8.150 nan 0.000 0.476 278 G N -1.127 107.540 108.800 -0.222 0.000 2.147 278 G HA2 -0.188 3.776 3.960 0.006 0.000 0.244 278 G HA3 -0.188 3.776 3.960 0.006 0.000 0.244 278 G C 0.119 174.899 174.900 -0.201 0.000 1.005 278 G CA 0.200 45.196 45.100 -0.173 0.000 0.713 278 G HN 0.754 nan 8.290 nan 0.000 0.515 279 V N 0.670 120.425 119.914 -0.264 0.000 2.488 279 V HA 0.408 4.532 4.120 0.006 0.000 0.277 279 V C 0.876 176.868 176.094 -0.171 0.000 1.046 279 V CA -0.082 62.069 62.300 -0.248 0.000 0.986 279 V CB 1.484 33.114 31.823 -0.322 0.000 0.989 279 V HN 0.508 nan 8.190 nan 0.000 0.475 280 K N 5.022 125.341 120.400 -0.135 0.000 2.322 280 K HA 0.425 4.749 4.320 0.006 0.000 0.283 280 K C -1.006 175.547 176.600 -0.079 0.000 1.042 280 K CA -0.004 56.224 56.287 -0.098 0.000 0.958 280 K CB 0.970 33.421 32.500 -0.082 0.000 0.984 280 K HN 0.427 nan 8.250 nan 0.000 0.473 281 V N 5.171 125.044 119.914 -0.068 0.000 2.604 281 V HA 0.317 4.440 4.120 0.006 0.000 0.305 281 V C -0.297 175.768 176.094 -0.050 0.000 1.043 281 V CA -1.112 61.158 62.300 -0.051 0.000 0.888 281 V CB 1.487 33.279 31.823 -0.051 0.000 0.995 281 V HN 1.065 nan 8.190 nan 0.000 0.429 282 N N 2.885 121.566 118.700 -0.031 0.000 2.418 282 N HA 0.152 4.896 4.740 0.006 0.000 0.283 282 N C 0.971 176.400 175.510 -0.134 0.000 1.267 282 N CA -0.284 52.732 53.050 -0.056 0.000 0.975 282 N CB 0.270 38.765 38.487 0.014 0.000 1.167 282 N HN 0.784 nan 8.380 nan 0.000 0.581 283 E N -1.146 118.875 120.200 -0.298 0.000 2.333 283 E HA -0.152 4.202 4.350 0.006 0.000 0.198 283 E C 0.074 176.352 176.600 -0.536 0.000 1.007 283 E CA 1.036 57.154 56.400 -0.471 0.000 0.845 283 E CB -0.585 28.721 29.700 -0.657 0.000 0.766 283 E HN 0.560 nan 8.360 nan 0.000 0.507 284 F N 0.377 120.317 119.950 -0.016 0.000 2.660 284 F HA 0.417 4.947 4.527 0.006 0.000 0.302 284 F C 1.624 177.413 175.800 -0.019 0.000 1.103 284 F CA 0.117 58.108 58.000 -0.015 0.000 1.340 284 F CB 0.818 39.811 39.000 -0.012 0.000 1.048 284 F HN 0.166 nan 8.300 nan 0.000 0.551 285 G N 0.421 109.252 108.800 0.053 0.000 2.162 285 G HA2 -0.185 3.778 3.960 0.006 0.000 0.260 285 G HA3 -0.185 3.778 3.960 0.006 0.000 0.260 285 G C 0.408 175.329 174.900 0.034 0.000 0.976 285 G CA -0.029 45.089 45.100 0.031 0.000 0.655 285 G HN 0.690 nan 8.290 nan 0.000 0.533 286 A N -0.011 122.846 122.820 0.062 0.000 2.363 286 A HA 0.684 5.007 4.320 0.006 0.000 0.270 286 A C 0.732 178.322 177.584 0.009 0.000 1.121 286 A CA 0.118 52.176 52.037 0.035 0.000 0.800 286 A CB 1.005 20.041 19.000 0.060 0.000 1.052 286 A HN 1.156 nan 8.150 nan 0.000 0.493 287 V N 3.661 123.570 119.914 -0.009 0.000 2.485 287 V HA 0.054 4.178 4.120 0.006 0.000 0.287 287 V C 0.417 176.507 176.094 -0.007 0.000 1.022 287 V CA -0.092 62.196 62.300 -0.019 0.000 1.067 287 V CB 0.738 32.548 31.823 -0.021 0.000 0.967 287 V HN 0.550 nan 8.190 nan 0.000 0.479 288 V N 7.114 127.020 119.914 -0.013 0.000 2.470 288 V HA 0.311 4.435 4.120 0.006 0.000 0.276 288 V C 0.220 176.313 176.094 -0.003 0.000 1.040 288 V CA -0.028 62.274 62.300 0.003 0.000 1.008 288 V CB 1.135 32.955 31.823 -0.006 0.000 0.990 288 V HN 0.764 nan 8.190 nan 0.000 0.477 289 V N 1.864 121.798 119.914 0.033 0.000 2.960 289 V HA 0.825 4.949 4.120 0.006 0.000 0.315 289 V C -0.388 175.740 176.094 0.056 0.000 1.087 289 V CA -0.940 61.385 62.300 0.041 0.000 0.982 289 V CB 2.089 33.967 31.823 0.091 0.000 1.039 289 V HN 0.787 nan 8.190 nan 0.000 0.437 290 D N 1.673 122.097 120.400 0.040 0.000 2.511 290 D HA 0.198 4.842 4.640 0.006 0.000 0.276 290 D C 1.058 177.404 176.300 0.076 0.000 1.220 290 D CA 0.077 54.103 54.000 0.043 0.000 1.077 290 D CB 0.304 41.110 40.800 0.010 0.000 1.126 290 D HN 0.686 nan 8.370 nan 0.000 0.583 291 E N -0.253 119.982 120.200 0.058 0.000 2.409 291 E HA -0.188 4.165 4.350 0.006 0.000 0.198 291 E C 0.528 177.170 176.600 0.071 0.000 1.024 291 E CA 0.930 57.361 56.400 0.052 0.000 0.861 291 E CB -0.386 29.329 29.700 0.026 0.000 0.788 291 E HN 0.484 nan 8.360 nan 0.000 0.521 292 K N 0.249 120.713 120.400 0.108 0.000 2.399 292 K HA 0.244 4.568 4.320 0.006 0.000 0.204 292 K C 0.090 176.877 176.600 0.311 0.000 1.023 292 K CA -0.010 56.379 56.287 0.171 0.000 1.127 292 K CB 0.373 32.981 32.500 0.179 0.000 0.856 292 K HN -0.120 nan 8.250 nan 0.000 0.514 293 M N -0.646 119.111 119.600 0.262 0.000 2.939 293 M HA -0.161 4.323 4.480 0.006 0.000 0.202 293 M C -0.804 175.704 176.300 0.346 0.000 0.592 293 M CA 1.070 56.570 55.300 0.333 0.000 0.749 293 M CB -3.340 29.503 32.600 0.407 0.000 2.692 293 M HN 0.053 nan 8.290 nan 0.000 0.382 294 T N 1.277 115.894 114.554 0.105 0.000 2.856 294 T HA 0.490 4.844 4.350 0.006 0.000 0.292 294 T C 1.191 175.762 174.700 -0.216 0.000 0.980 294 T CA 0.122 62.019 62.100 -0.338 0.000 1.091 294 T CB 1.816 70.421 68.868 -0.440 0.000 0.936 294 T HN 0.484 nan 8.240 nan 0.000 0.503 295 T N 0.441 114.824 114.554 -0.285 0.000 2.689 295 T HA 0.058 4.412 4.350 0.006 0.000 0.308 295 T C 1.525 176.085 174.700 -0.233 0.000 1.021 295 T CA -0.487 61.483 62.100 -0.216 0.000 0.973 295 T CB 0.237 68.971 68.868 -0.222 0.000 1.113 295 T HN 0.613 nan 8.240 nan 0.000 0.522 296 N N -0.396 118.194 118.700 -0.185 0.000 2.550 296 N HA -0.046 4.698 4.740 0.006 0.000 0.186 296 N C -0.033 175.357 175.510 -0.199 0.000 1.110 296 N CA 0.142 53.093 53.050 -0.165 0.000 0.912 296 N CB -0.486 37.928 38.487 -0.122 0.000 0.968 296 N HN 0.399 nan 8.380 nan 0.000 0.448 297 V N 2.079 121.825 119.914 -0.279 0.000 2.347 297 V HA 0.117 4.241 4.120 0.006 0.000 0.280 297 V C 1.418 177.242 176.094 -0.450 0.000 1.021 297 V CA -0.407 61.694 62.300 -0.331 0.000 0.847 297 V CB 1.195 32.767 31.823 -0.418 0.000 0.990 297 V HN 0.325 nan 8.190 nan 0.000 0.444 298 S N 2.789 118.305 115.700 -0.307 0.000 2.442 298 S HA -0.206 4.268 4.470 0.006 0.000 0.236 298 S C 1.329 175.625 174.600 -0.506 0.000 1.007 298 S CA 1.560 59.558 58.200 -0.336 0.000 0.965 298 S CB -0.439 62.688 63.200 -0.121 0.000 0.773 298 S HN 0.955 nan 8.310 nan 0.000 0.504 299 H N -0.060 118.797 119.070 -0.355 0.000 2.520 299 H HA 0.500 5.060 4.556 0.006 0.000 0.284 299 H C 0.005 175.282 175.328 -0.084 0.000 1.037 299 H CA -0.620 55.323 56.048 -0.176 0.000 1.168 299 H CB -0.264 29.539 29.762 0.069 0.000 1.497 299 H HN 0.417 nan 8.280 nan 0.000 0.547 300 I N 1.362 121.547 120.570 -0.641 0.000 2.406 300 I HA 0.243 4.417 4.170 0.006 0.000 0.290 300 I C -0.645 175.323 176.117 -0.250 0.000 0.999 300 I CA -0.537 60.602 61.300 -0.269 0.000 1.124 300 I CB 1.630 39.418 38.000 -0.352 0.000 1.289 300 I HN 0.097 nan 8.210 nan 0.000 0.441 301 W N 4.155 125.434 121.300 -0.036 0.000 2.850 301 W HA 0.817 5.480 4.660 0.006 0.000 0.349 301 W C -0.420 176.035 176.519 -0.106 0.000 1.133 301 W CA -0.941 56.380 57.345 -0.040 0.000 1.117 301 W CB 2.318 31.791 29.460 0.021 0.000 1.442 301 W HN 0.427 nan 8.180 nan 0.000 0.575 302 A N 1.054 123.960 122.820 0.144 0.000 2.574 302 A HA 0.745 5.069 4.320 0.006 0.000 0.297 302 A C -1.297 176.320 177.584 0.055 0.000 1.062 302 A CA -0.576 51.488 52.037 0.044 0.000 0.686 302 A CB 1.421 20.442 19.000 0.035 0.000 1.285 302 A HN 0.661 nan 8.150 nan 0.000 0.403 303 V N -0.958 118.968 119.914 0.019 0.000 3.007 303 V HA 1.013 5.137 4.120 0.006 0.000 0.311 303 V C 0.451 176.576 176.094 0.053 0.000 1.120 303 V CA 0.169 62.514 62.300 0.075 0.000 0.980 303 V CB 0.830 32.682 31.823 0.048 0.000 1.033 303 V HN 2.961 nan 8.190 nan 0.000 0.429 304 G N 2.396 111.265 108.800 0.116 0.000 2.508 304 G HA2 -0.162 3.801 3.960 0.006 0.000 0.220 304 G HA3 -0.162 3.801 3.960 0.006 0.000 0.220 304 G C -0.018 174.769 174.900 -0.188 0.000 1.287 304 G CA 0.518 45.653 45.100 0.060 0.000 0.916 304 G HN 0.921 nan 8.290 nan 0.000 0.574 305 D N -0.528 119.806 120.400 -0.110 0.000 2.182 305 D HA -0.045 4.598 4.640 0.006 0.000 0.201 305 D C 2.481 178.674 176.300 -0.177 0.000 0.986 305 D CA 1.395 55.300 54.000 -0.158 0.000 0.847 305 D CB -0.239 40.537 40.800 -0.039 0.000 0.942 305 D HN 0.509 nan 8.370 nan 0.000 0.467 306 V N 1.079 120.926 119.914 -0.113 0.000 2.867 306 V HA -0.171 3.953 4.120 0.006 0.000 0.260 306 V C 2.079 178.117 176.094 -0.094 0.000 1.099 306 V CA 2.236 64.493 62.300 -0.072 0.000 1.122 306 V CB -0.603 31.204 31.823 -0.026 0.000 0.708 306 V HN 0.382 nan 8.190 nan 0.000 0.490 307 T N -3.488 110.960 114.554 -0.177 0.000 3.129 307 T HA 0.304 4.658 4.350 0.006 0.000 0.251 307 T C 1.527 176.132 174.700 -0.159 0.000 1.117 307 T CA 0.898 62.915 62.100 -0.138 0.000 1.034 307 T CB 0.505 69.317 68.868 -0.093 0.000 0.968 307 T HN 1.133 nan 8.240 nan 0.000 0.526 308 G N 1.800 110.465 108.800 -0.225 0.000 2.195 308 G HA2 -0.231 3.733 3.960 0.006 0.000 0.246 308 G HA3 -0.231 3.733 3.960 0.006 0.000 0.246 308 G C 0.044 174.867 174.900 -0.128 0.000 0.984 308 G CA 0.210 45.236 45.100 -0.124 0.000 0.633 308 G HN 1.077 nan 8.290 nan 0.000 0.525 309 H N -0.223 118.782 119.070 -0.108 0.000 2.408 309 H HA 0.686 5.245 4.556 0.006 0.000 0.345 309 H C 1.106 176.320 175.328 -0.189 0.000 1.547 309 H CA -0.949 54.971 56.048 -0.212 0.000 1.447 309 H CB 0.155 29.641 29.762 -0.459 0.000 1.686 309 H HN 0.422 nan 8.280 nan 0.000 0.625 310 I N 0.360 120.975 120.570 0.075 0.000 2.845 310 I HA -0.115 4.059 4.170 0.006 0.000 0.296 310 I C -0.235 175.953 176.117 0.118 0.000 1.216 310 I CA 0.519 61.830 61.300 0.018 0.000 1.438 310 I CB 0.195 38.137 38.000 -0.096 0.000 1.342 310 I HN 0.609 nan 8.210 nan 0.000 0.577 311 Q N 8.035 127.870 119.800 0.058 0.000 2.490 311 Q HA 0.494 4.838 4.340 0.006 0.000 0.226 311 Q C -1.367 174.665 176.000 0.052 0.000 1.132 311 Q CA -0.100 55.748 55.803 0.074 0.000 0.928 311 Q CB 0.753 29.541 28.738 0.083 0.000 1.299 311 Q HN 0.531 nan 8.270 nan 0.000 0.528 312 L N 0.382 121.640 121.223 0.057 0.000 2.445 312 L HA 0.340 4.683 4.340 0.006 0.000 0.262 312 L C 0.968 177.873 176.870 0.058 0.000 0.974 312 L CA -0.549 54.306 54.840 0.026 0.000 0.822 312 L CB 2.144 44.187 42.059 -0.026 0.000 1.339 312 L HN 0.358 nan 8.230 nan 0.000 0.409 313 T N 0.932 115.518 114.554 0.054 0.000 2.746 313 T HA -0.050 4.303 4.350 0.006 0.000 0.267 313 T C -1.127 173.616 174.700 0.071 0.000 1.039 313 T CA 1.678 63.815 62.100 0.061 0.000 1.142 313 T CB -0.427 68.472 68.868 0.052 0.000 0.866 313 T HN 0.455 nan 8.240 nan 0.000 0.444 314 P HA 0.018 nan 4.420 nan 0.000 0.220 314 P C 1.495 178.853 177.300 0.097 0.000 1.148 314 P CA 0.533 63.675 63.100 0.069 0.000 0.803 314 P CB -0.139 31.584 31.700 0.038 0.000 0.782 315 V N 0.158 120.114 119.914 0.069 0.000 2.379 315 V HA -0.191 3.933 4.120 0.006 0.000 0.245 315 V C 2.485 178.694 176.094 0.193 0.000 1.044 315 V CA 2.034 64.381 62.300 0.080 0.000 1.036 315 V CB -1.720 30.031 31.823 -0.119 0.000 0.664 315 V HN 0.090 nan 8.190 nan 0.000 0.453 316 A N 0.167 123.098 122.820 0.186 0.000 1.908 316 A HA -0.195 4.128 4.320 0.006 0.000 0.218 316 A C 2.188 179.873 177.584 0.169 0.000 1.181 316 A CA 2.001 54.154 52.037 0.194 0.000 0.627 316 A CB -0.557 18.521 19.000 0.130 0.000 0.818 316 A HN 0.512 nan 8.150 nan 0.000 0.445 317 I N -1.559 119.102 120.570 0.152 0.000 2.179 317 I HA -0.274 3.900 4.170 0.006 0.000 0.242 317 I C 2.509 178.729 176.117 0.172 0.000 1.088 317 I CA 1.842 63.228 61.300 0.143 0.000 1.357 317 I CB -0.546 37.530 38.000 0.126 0.000 1.051 317 I HN 0.565 nan 8.210 nan 0.000 0.409 318 H N 1.419 120.552 119.070 0.104 0.000 2.289 318 H HA -0.240 4.319 4.556 0.006 0.000 0.296 318 H C 1.829 177.238 175.328 0.135 0.000 1.091 318 H CA 2.306 58.417 56.048 0.105 0.000 1.274 318 H CB -0.202 29.624 29.762 0.106 0.000 1.364 318 H HN 0.238 nan 8.280 nan 0.000 0.490 319 D N 0.038 120.552 120.400 0.191 0.000 2.116 319 D HA -0.183 4.461 4.640 0.006 0.000 0.193 319 D C 2.274 178.659 176.300 0.140 0.000 0.998 319 D CA 1.590 55.696 54.000 0.176 0.000 0.836 319 D CB -0.797 40.181 40.800 0.297 0.000 0.951 319 D HN 0.579 nan 8.370 nan 0.000 0.449 320 A N 0.776 123.685 122.820 0.148 0.000 1.902 320 A HA -0.179 4.145 4.320 0.006 0.000 0.217 320 A C 2.166 179.858 177.584 0.180 0.000 1.181 320 A CA 1.521 53.669 52.037 0.184 0.000 0.623 320 A CB -0.396 18.691 19.000 0.145 0.000 0.818 320 A HN 0.107 nan 8.150 nan 0.000 0.443 321 M N -0.823 118.824 119.600 0.079 0.000 2.117 321 M HA -0.138 4.346 4.480 0.006 0.000 0.262 321 M C 2.516 178.803 176.300 -0.022 0.000 1.065 321 M CA 1.415 56.730 55.300 0.025 0.000 1.114 321 M CB -1.987 30.611 32.600 -0.004 0.000 1.361 321 M HN 0.664 nan 8.290 nan 0.000 0.408 322 C N 0.684 119.941 119.300 -0.071 0.000 2.429 322 C HA -0.211 4.253 4.460 0.006 0.000 0.277 322 C C 2.810 177.797 174.990 -0.005 0.000 1.262 322 C CA 0.789 59.762 59.018 -0.075 0.000 1.733 322 C CB -1.320 26.349 27.740 -0.119 0.000 2.010 322 C HN 0.560 nan 8.230 nan 0.000 0.483 323 F N 1.463 121.371 119.950 -0.069 0.000 2.134 323 F HA -0.059 4.472 4.527 0.006 0.000 0.299 323 F C 2.011 177.680 175.800 -0.218 0.000 1.097 323 F CA 2.292 60.205 58.000 -0.145 0.000 1.264 323 F CB -0.741 38.191 39.000 -0.114 0.000 1.001 323 F HN 0.120 nan 8.300 nan 0.000 0.479 324 V N 1.044 120.716 119.914 -0.403 0.000 2.358 324 V HA -0.268 3.856 4.120 0.006 0.000 0.246 324 V C 2.844 178.796 176.094 -0.236 0.000 1.047 324 V CA 2.673 64.757 62.300 -0.359 0.000 1.035 324 V CB -1.745 30.069 31.823 -0.016 0.000 0.658 324 V HN 0.506 nan 8.190 nan 0.000 0.452 325 K N 0.447 120.751 120.400 -0.160 0.000 2.032 325 K HA -0.265 4.059 4.320 0.006 0.000 0.209 325 K C 1.880 178.385 176.600 -0.157 0.000 1.048 325 K CA 2.120 58.341 56.287 -0.109 0.000 0.927 325 K CB -1.075 31.383 32.500 -0.070 0.000 0.712 325 K HN 0.588 nan 8.250 nan 0.000 0.441 326 N N 0.071 118.644 118.700 -0.212 0.000 2.142 326 N HA -0.015 4.729 4.740 0.006 0.000 0.186 326 N C 2.149 177.481 175.510 -0.296 0.000 1.023 326 N CA 1.593 54.545 53.050 -0.163 0.000 0.852 326 N CB -0.267 38.199 38.487 -0.035 0.000 0.998 326 N HN 0.521 nan 8.380 nan 0.000 0.424 327 A N -0.130 122.231 122.820 -0.764 0.000 1.929 327 A HA 0.026 4.349 4.320 0.006 0.000 0.216 327 A C 1.203 178.201 177.584 -0.976 0.000 1.176 327 A CA 0.940 52.263 52.037 -1.189 0.000 0.628 327 A CB -0.335 17.205 19.000 -2.433 0.000 0.816 327 A HN 0.204 nan 8.150 nan 0.000 0.444 328 F N -0.428 119.318 119.950 -0.341 0.000 2.682 328 F HA 0.368 4.899 4.527 0.006 0.000 0.308 328 F C 0.498 176.227 175.800 -0.119 0.000 1.093 328 F CA -0.203 57.677 58.000 -0.200 0.000 1.244 328 F CB 0.306 39.173 39.000 -0.221 0.000 1.052 328 F HN 0.117 nan 8.300 nan 0.000 0.573 329 E N -0.674 119.523 120.200 -0.005 0.000 2.445 329 E HA 0.271 4.624 4.350 0.006 0.000 0.273 329 E C -0.875 175.722 176.600 -0.004 0.000 0.961 329 E CA -0.962 55.442 56.400 0.008 0.000 0.807 329 E CB 0.997 30.698 29.700 0.002 0.000 1.362 329 E HN -0.220 nan 8.360 nan 0.000 0.453 330 N N 1.141 119.846 118.700 0.007 0.000 3.105 330 N HA 0.185 4.928 4.740 0.006 0.000 0.256 330 N C -1.734 173.779 175.510 0.005 0.000 1.174 330 N CA 0.100 53.156 53.050 0.010 0.000 1.030 330 N CB 0.396 38.892 38.487 0.016 0.000 1.305 330 N HN 0.378 nan 8.380 nan 0.000 0.509 331 T N 0.091 114.644 114.554 -0.001 0.000 3.999 331 T HA 0.267 4.620 4.350 0.006 0.000 0.257 331 T C -0.699 173.996 174.700 -0.009 0.000 0.606 331 T CA -0.411 61.686 62.100 -0.004 0.000 0.973 331 T CB -1.075 67.789 68.868 -0.007 0.000 1.182 331 T HN 0.341 nan 8.240 nan 0.000 0.494 332 S N 3.388 119.088 115.700 0.000 0.000 2.503 332 S HA 0.586 5.060 4.470 0.006 0.000 0.317 332 S C 0.949 175.545 174.600 -0.007 0.000 1.162 332 S CA 0.439 58.640 58.200 0.002 0.000 1.124 332 S CB -0.595 62.614 63.200 0.015 0.000 1.207 332 S HN 1.264 nan 8.310 nan 0.000 0.538 333 T N 1.654 116.195 114.554 -0.021 0.000 2.928 333 T HA 0.487 4.841 4.350 0.006 0.000 0.305 333 T C 0.454 175.137 174.700 -0.030 0.000 1.035 333 T CA 0.468 62.549 62.100 -0.032 0.000 1.145 333 T CB 0.077 68.910 68.868 -0.058 0.000 0.963 333 T HN 0.561 nan 8.240 nan 0.000 0.545 334 T N 4.246 118.781 114.554 -0.032 0.000 2.885 334 T HA 0.681 5.035 4.350 0.006 0.000 0.285 334 T C -2.564 172.091 174.700 -0.076 0.000 1.019 334 T CA -1.579 60.496 62.100 -0.041 0.000 1.010 334 T CB 1.200 70.051 68.868 -0.029 0.000 1.022 334 T HN 0.546 nan 8.240 nan 0.000 0.466 335 P HA 0.329 nan 4.420 nan 0.000 0.274 335 P C -1.247 175.884 177.300 -0.280 0.000 1.237 335 P CA -0.204 62.795 63.100 -0.169 0.000 0.793 335 P CB 0.622 32.097 31.700 -0.374 0.000 0.977 336 D N 1.076 121.394 120.400 -0.136 0.000 2.469 336 D HA 0.186 4.830 4.640 0.006 0.000 0.251 336 D C -0.923 175.223 176.300 -0.256 0.000 1.173 336 D CA -0.499 53.366 54.000 -0.224 0.000 0.882 336 D CB 0.305 41.058 40.800 -0.079 0.000 1.129 336 D HN 0.128 nan 8.370 nan 0.000 0.549 337 Y N 0.991 121.254 120.300 -0.062 0.000 2.607 337 Y HA 0.292 4.845 4.550 0.006 0.000 0.266 337 Y C 0.019 175.870 175.900 -0.082 0.000 1.178 337 Y CA -0.818 57.218 58.100 -0.108 0.000 1.226 337 Y CB 0.062 38.463 38.460 -0.098 0.000 1.144 337 Y HN 0.204 nan 8.280 nan 0.000 0.528 338 D N 0.571 120.993 120.400 0.036 0.000 2.255 338 D HA 0.281 4.925 4.640 0.006 0.000 0.249 338 D C 0.839 177.137 176.300 -0.004 0.000 1.078 338 D CA -0.155 53.855 54.000 0.017 0.000 0.896 338 D CB 1.410 42.214 40.800 0.007 0.000 1.194 338 D HN 0.110 nan 8.370 nan 0.000 0.429 339 L N 1.165 122.387 121.223 -0.003 0.000 3.634 339 L HA -0.250 4.093 4.340 0.006 0.000 0.423 339 L C -0.099 176.754 176.870 -0.028 0.000 1.253 339 L CA 0.141 54.973 54.840 -0.012 0.000 0.885 339 L CB -1.511 40.544 42.059 -0.006 0.000 1.789 339 L HN 0.460 nan 8.230 nan 0.000 0.904 340 I N 0.199 120.748 120.570 -0.035 0.000 2.517 340 I HA 0.046 4.220 4.170 0.006 0.000 0.285 340 I C 1.235 177.318 176.117 -0.056 0.000 1.106 340 I CA 0.326 61.594 61.300 -0.052 0.000 1.402 340 I CB 0.789 38.751 38.000 -0.063 0.000 1.399 340 I HN 0.071 nan 8.210 nan 0.000 0.535 341 T N 4.943 119.468 114.554 -0.049 0.000 2.884 341 T HA 0.321 4.675 4.350 0.006 0.000 0.298 341 T C 0.328 174.994 174.700 -0.057 0.000 0.998 341 T CA -0.460 61.612 62.100 -0.047 0.000 1.124 341 T CB 0.731 69.579 68.868 -0.033 0.000 0.931 341 T HN 0.759 nan 8.240 nan 0.000 0.531 342 T N -0.654 113.863 114.554 -0.060 0.000 2.907 342 T HA 0.813 5.166 4.350 0.006 0.000 0.292 342 T C -0.709 173.951 174.700 -0.067 0.000 1.043 342 T CA -1.066 60.990 62.100 -0.073 0.000 1.003 342 T CB 1.923 70.730 68.868 -0.103 0.000 1.084 342 T HN 0.715 nan 8.240 nan 0.000 0.483 343 A N 1.405 124.145 122.820 -0.134 0.000 2.380 343 A HA 0.827 5.150 4.320 0.006 0.000 0.315 343 A C -0.865 176.521 177.584 -0.330 0.000 1.101 343 A CA -0.873 50.984 52.037 -0.301 0.000 0.771 343 A CB 1.708 20.395 19.000 -0.522 0.000 1.287 343 A HN 0.941 nan 8.150 nan 0.000 0.436 344 V N 1.273 120.935 119.914 -0.419 0.000 2.444 344 V HA 0.326 4.450 4.120 0.006 0.000 0.294 344 V C -0.914 174.847 176.094 -0.556 0.000 1.022 344 V CA -0.103 61.998 62.300 -0.331 0.000 0.850 344 V CB 1.140 32.829 31.823 -0.223 0.000 0.992 344 V HN 0.775 nan 8.190 nan 0.000 0.426 345 F N 3.001 122.806 119.950 -0.241 0.000 2.833 345 F HA 0.203 4.734 4.527 0.006 0.000 0.327 345 F C 1.548 177.219 175.800 -0.215 0.000 1.184 345 F CA -0.266 57.440 58.000 -0.490 0.000 1.328 345 F CB -0.040 38.388 39.000 -0.954 0.000 1.440 345 F HN 0.585 nan 8.300 nan 0.000 0.569 346 S N -0.259 115.416 115.700 -0.042 0.000 2.626 346 S HA 0.382 4.855 4.470 0.006 0.000 0.257 346 S C -0.217 174.470 174.600 0.144 0.000 1.288 346 S CA -0.797 57.420 58.200 0.029 0.000 0.980 346 S CB 0.825 63.985 63.200 -0.066 0.000 0.975 346 S HN 0.471 nan 8.310 nan 0.000 0.577 347 Q N 1.081 120.937 119.800 0.095 0.000 2.337 347 Q HA 0.403 4.747 4.340 0.006 0.000 0.264 347 Q C -2.753 173.251 176.000 0.006 0.000 1.007 347 Q CA -1.965 53.888 55.803 0.083 0.000 0.727 347 Q CB 1.899 30.673 28.738 0.060 0.000 1.256 347 Q HN 0.496 nan 8.270 nan 0.000 0.467 348 P HA -0.037 nan 4.420 nan 0.000 0.272 348 P C -0.517 176.784 177.300 0.003 0.000 1.223 348 P CA -0.017 63.089 63.100 0.009 0.000 0.784 348 P CB 0.890 32.578 31.700 -0.020 0.000 0.923 349 E N 1.071 121.289 120.200 0.029 0.000 2.390 349 E HA 0.320 4.674 4.350 0.006 0.000 0.261 349 E C -0.076 176.465 176.600 -0.098 0.000 1.076 349 E CA -0.160 56.207 56.400 -0.055 0.000 0.905 349 E CB 0.387 30.073 29.700 -0.024 0.000 0.984 349 E HN 0.385 nan 8.360 nan 0.000 0.427 350 I N 0.776 121.234 120.570 -0.187 0.000 2.608 350 I HA 0.473 4.647 4.170 0.006 0.000 0.295 350 I C 0.006 176.040 176.117 -0.138 0.000 1.049 350 I CA -0.563 60.669 61.300 -0.113 0.000 1.063 350 I CB 2.211 40.138 38.000 -0.122 0.000 1.248 350 I HN 0.511 nan 8.210 nan 0.000 0.424 351 G N 2.150 110.935 108.800 -0.024 0.000 2.591 351 G HA2 0.652 4.615 3.960 0.006 0.000 0.306 351 G HA3 0.652 4.615 3.960 0.006 0.000 0.306 351 G C -1.389 173.560 174.900 0.082 0.000 1.334 351 G CA -0.406 44.686 45.100 -0.013 0.000 0.981 351 G HN 0.460 nan 8.290 nan 0.000 0.491 352 T N -0.499 114.099 114.554 0.073 0.000 2.982 352 T HA 0.599 4.953 4.350 0.006 0.000 0.321 352 T C -1.741 172.962 174.700 0.005 0.000 1.229 352 T CA -0.419 61.750 62.100 0.116 0.000 1.044 352 T CB 1.795 70.835 68.868 0.287 0.000 1.184 352 T HN 1.243 nan 8.240 nan 0.000 0.477 353 V N 4.414 124.286 119.914 -0.069 0.000 2.932 353 V HA 0.846 4.970 4.120 0.006 0.000 0.307 353 V C 0.477 176.523 176.094 -0.080 0.000 1.147 353 V CA 1.104 63.362 62.300 -0.069 0.000 0.951 353 V CB 1.091 32.877 31.823 -0.063 0.000 1.031 353 V HN 1.794 nan 8.190 nan 0.000 0.426 354 G N 4.890 113.677 108.800 -0.022 0.000 2.598 354 G HA2 -0.191 3.773 3.960 0.006 0.000 0.244 354 G HA3 -0.191 3.773 3.960 0.006 0.000 0.244 354 G C -0.538 174.419 174.900 0.094 0.000 1.302 354 G CA -0.010 45.099 45.100 0.015 0.000 0.903 354 G HN 1.282 nan 8.290 nan 0.000 0.575 355 L N 1.447 122.747 121.223 0.129 0.000 2.331 355 L HA 0.459 4.802 4.340 0.006 0.000 0.278 355 L C 1.637 178.689 176.870 0.303 0.000 1.106 355 L CA 0.031 54.976 54.840 0.174 0.000 0.824 355 L CB 1.248 43.410 42.059 0.171 0.000 1.142 355 L HN 0.990 nan 8.230 nan 0.000 0.443 356 S N 1.035 116.840 115.700 0.175 0.000 2.569 356 S HA -0.080 4.394 4.470 0.006 0.000 0.274 356 S C 1.054 175.707 174.600 0.089 0.000 1.353 356 S CA -0.074 58.134 58.200 0.014 0.000 1.023 356 S CB 0.858 64.033 63.200 -0.041 0.000 0.876 356 S HN 0.810 nan 8.310 nan 0.000 0.540 357 E N 0.737 120.974 120.200 0.061 0.000 2.097 357 E HA -0.292 4.061 4.350 0.006 0.000 0.196 357 E C 1.845 178.448 176.600 0.005 0.000 1.000 357 E CA 1.823 58.282 56.400 0.097 0.000 0.804 357 E CB -0.246 29.555 29.700 0.167 0.000 0.740 357 E HN 0.870 nan 8.360 nan 0.000 0.454 358 E N 0.629 120.834 120.200 0.010 0.000 2.046 358 E HA -0.183 4.171 4.350 0.006 0.000 0.190 358 E C 1.652 178.292 176.600 0.067 0.000 0.982 358 E CA 1.800 58.193 56.400 -0.011 0.000 0.800 358 E CB -0.175 29.550 29.700 0.041 0.000 0.756 358 E HN 0.274 nan 8.360 nan 0.000 0.449 359 D N 0.208 120.656 120.400 0.079 0.000 2.123 359 D HA -0.163 4.480 4.640 0.006 0.000 0.196 359 D C 1.804 178.154 176.300 0.083 0.000 0.992 359 D CA 1.650 55.704 54.000 0.089 0.000 0.833 359 D CB -0.532 40.300 40.800 0.054 0.000 0.954 359 D HN 0.342 nan 8.370 nan 0.000 0.455 360 A N 0.914 123.789 122.820 0.092 0.000 1.902 360 A HA -0.162 4.162 4.320 0.006 0.000 0.217 360 A C 2.232 179.870 177.584 0.091 0.000 1.181 360 A CA 1.761 53.900 52.037 0.170 0.000 0.623 360 A CB -0.775 18.341 19.000 0.194 0.000 0.818 360 A HN 0.354 nan 8.150 nan 0.000 0.443 361 L N -2.679 118.473 121.223 -0.118 0.000 2.275 361 L HA -0.008 4.336 4.340 0.006 0.000 0.215 361 L C 1.901 178.590 176.870 -0.302 0.000 1.119 361 L CA 2.308 56.959 54.840 -0.316 0.000 0.790 361 L CB -1.332 40.236 42.059 -0.818 0.000 0.919 361 L HN 0.394 nan 8.230 nan 0.000 0.443 362 H N -0.855 118.156 119.070 -0.099 0.000 2.448 362 H HA 0.091 4.651 4.556 0.006 0.000 0.292 362 H C 2.189 177.454 175.328 -0.105 0.000 1.035 362 H CA 1.026 57.023 56.048 -0.085 0.000 1.349 362 H CB 0.163 29.876 29.762 -0.081 0.000 1.425 362 H HN 0.233 nan 8.280 nan 0.000 0.539 363 R N 0.056 120.527 120.500 -0.047 0.000 2.093 363 R HA 0.005 4.349 4.340 0.006 0.000 0.224 363 R C -0.619 175.411 176.300 -0.449 0.000 1.101 363 R CA 0.923 56.846 56.100 -0.296 0.000 0.979 363 R CB 0.056 30.079 30.300 -0.462 0.000 0.877 363 R HN 0.183 nan 8.270 nan 0.000 0.441 364 Y N -1.282 119.024 120.300 0.010 0.000 2.485 364 Y HA 0.388 4.942 4.550 0.006 0.000 0.345 364 Y C 1.210 177.117 175.900 0.012 0.000 0.998 364 Y CA -0.265 57.844 58.100 0.014 0.000 1.059 364 Y CB 1.761 40.231 38.460 0.018 0.000 1.234 364 Y HN -0.050 nan 8.280 nan 0.000 0.461 365 K N 2.089 122.599 120.400 0.183 0.000 2.097 365 K HA -0.019 4.304 4.320 0.006 0.000 0.206 365 K C 0.775 177.446 176.600 0.118 0.000 1.049 365 K CA 1.617 57.972 56.287 0.113 0.000 0.933 365 K CB -0.067 32.486 32.500 0.088 0.000 0.717 365 K HN 0.683 nan 8.250 nan 0.000 0.442 366 R N -0.425 120.157 120.500 0.135 0.000 2.532 366 R HA 0.507 4.850 4.340 0.006 0.000 0.297 366 R C -2.011 174.352 176.300 0.106 0.000 0.984 366 R CA -0.450 55.718 56.100 0.112 0.000 0.884 366 R CB 2.198 32.542 30.300 0.072 0.000 1.182 366 R HN 0.082 nan 8.270 nan 0.000 0.442 367 V N 4.011 124.013 119.914 0.147 0.000 2.483 367 V HA 0.327 4.451 4.120 0.006 0.000 0.297 367 V C -0.615 175.562 176.094 0.138 0.000 1.027 367 V CA -0.801 61.584 62.300 0.141 0.000 0.855 367 V CB 1.856 33.793 31.823 0.190 0.000 0.995 367 V HN 0.792 nan 8.190 nan 0.000 0.424 368 E N 4.868 125.096 120.200 0.046 0.000 2.175 368 E HA 0.545 4.899 4.350 0.006 0.000 0.278 368 E C -1.088 175.437 176.600 -0.125 0.000 0.969 368 E CA -0.674 55.679 56.400 -0.078 0.000 0.796 368 E CB 2.000 31.687 29.700 -0.022 0.000 1.104 368 E HN 0.384 nan 8.360 nan 0.000 0.395 369 I N 3.477 123.814 120.570 -0.388 0.000 2.378 369 I HA 0.241 4.415 4.170 0.006 0.000 0.291 369 I C -0.872 174.880 176.117 -0.609 0.000 0.992 369 I CA -0.681 60.382 61.300 -0.395 0.000 1.154 369 I CB 0.592 38.230 38.000 -0.604 0.000 1.315 369 I HN 0.543 nan 8.210 nan 0.000 0.448 370 Y N 5.598 125.761 120.300 -0.228 0.000 2.388 370 Y HA 0.525 5.079 4.550 0.006 0.000 0.328 370 Y C 0.392 176.186 175.900 -0.178 0.000 0.963 370 Y CA -0.597 57.383 58.100 -0.200 0.000 1.240 370 Y CB 1.467 39.817 38.460 -0.184 0.000 1.118 370 Y HN 0.459 nan 8.280 nan 0.000 0.484 371 R N 1.865 122.332 120.500 -0.056 0.000 2.561 371 R HA 0.687 5.030 4.340 0.006 0.000 0.297 371 R C -1.386 174.915 176.300 0.001 0.000 0.969 371 R CA -0.414 55.660 56.100 -0.043 0.000 0.879 371 R CB 1.848 32.173 30.300 0.043 0.000 1.178 371 R HN 0.629 nan 8.270 nan 0.000 0.445 372 T N 2.776 117.309 114.554 -0.034 0.000 2.952 372 T HA 0.464 4.817 4.350 0.006 0.000 0.305 372 T C -1.633 173.170 174.700 0.171 0.000 1.064 372 T CA -0.450 61.708 62.100 0.097 0.000 1.008 372 T CB 1.401 70.339 68.868 0.116 0.000 1.078 372 T HN 0.232 nan 8.240 nan 0.000 0.459 373 V N 6.723 126.793 119.914 0.260 0.000 2.444 373 V HA 0.796 4.920 4.120 0.006 0.000 0.294 373 V C -0.709 175.537 176.094 0.253 0.000 1.022 373 V CA -0.706 61.738 62.300 0.241 0.000 0.850 373 V CB 0.776 32.741 31.823 0.237 0.000 0.992 373 V HN 0.835 nan 8.190 nan 0.000 0.426 374 F N 1.690 121.691 119.950 0.084 0.000 2.643 374 F HA 0.923 5.453 4.527 0.005 0.000 0.314 374 F C -0.160 175.680 175.800 0.066 0.000 1.096 374 F CA -1.386 56.652 58.000 0.064 0.000 0.953 374 F CB 1.406 40.435 39.000 0.047 0.000 1.345 374 F HN 0.445 nan 8.300 nan 0.000 0.468 375 R N 1.389 121.996 120.500 0.178 0.000 2.202 375 R HA 0.688 5.032 4.340 0.006 0.000 0.334 375 R C -3.062 173.373 176.300 0.225 0.000 1.036 375 R CA -1.916 54.241 56.100 0.094 0.000 0.878 375 R CB -0.858 29.506 30.300 0.105 0.000 1.067 375 R HN 0.585 nan 8.270 nan 0.000 0.457 376 P HA 0.035 nan 4.420 nan 0.000 0.269 376 P C 1.024 178.442 177.300 0.196 0.000 1.209 376 P CA -0.432 62.810 63.100 0.236 0.000 0.776 376 P CB 0.575 32.349 31.700 0.123 0.000 0.876 377 M N 2.538 122.258 119.600 0.199 0.000 2.106 377 M HA -0.272 4.211 4.480 0.006 0.000 0.259 377 M C 2.077 178.487 176.300 0.183 0.000 1.068 377 M CA 1.907 57.303 55.300 0.161 0.000 1.100 377 M CB -0.188 32.491 32.600 0.132 0.000 1.351 377 M HN 0.252 nan 8.290 nan 0.000 0.404 378 R N 0.068 120.695 120.500 0.212 0.000 2.127 378 R HA -0.162 4.182 4.340 0.006 0.000 0.238 378 R C 1.395 177.867 176.300 0.287 0.000 1.134 378 R CA 1.985 58.276 56.100 0.319 0.000 0.975 378 R CB -0.146 30.281 30.300 0.212 0.000 0.865 378 R HN 0.504 nan 8.270 nan 0.000 0.447 379 N N 0.335 119.138 118.700 0.173 0.000 2.354 379 N HA -0.081 4.663 4.740 0.006 0.000 0.179 379 N C 1.940 177.502 175.510 0.086 0.000 1.021 379 N CA 1.129 54.255 53.050 0.125 0.000 0.887 379 N CB -0.493 38.045 38.487 0.084 0.000 0.974 379 N HN 0.246 nan 8.380 nan 0.000 0.437 380 V N 1.366 121.328 119.914 0.080 0.000 2.222 380 V HA -0.282 3.842 4.120 0.006 0.000 0.252 380 V C 2.327 178.408 176.094 -0.021 0.000 1.060 380 V CA 2.139 64.463 62.300 0.039 0.000 1.027 380 V CB -0.901 30.949 31.823 0.045 0.000 0.644 380 V HN 0.071 nan 8.190 nan 0.000 0.448 381 L N 0.887 122.049 121.223 -0.103 0.000 2.093 381 L HA -0.110 4.234 4.340 0.006 0.000 0.208 381 L C 2.956 179.705 176.870 -0.202 0.000 1.085 381 L CA 2.470 57.139 54.840 -0.286 0.000 0.755 381 L CB -0.486 41.097 42.059 -0.794 0.000 0.904 381 L HN 0.723 nan 8.230 nan 0.000 0.435 382 S N -1.173 114.491 115.700 -0.060 0.000 2.489 382 S HA 0.109 4.582 4.470 0.006 0.000 0.228 382 S C 1.638 176.276 174.600 0.064 0.000 0.995 382 S CA 0.445 58.690 58.200 0.074 0.000 0.934 382 S CB -0.381 62.956 63.200 0.228 0.000 0.771 382 S HN 0.529 nan 8.310 nan 0.000 0.522 383 G N 1.056 109.880 108.800 0.040 0.000 2.160 383 G HA2 -0.268 3.696 3.960 0.006 0.000 0.251 383 G HA3 -0.268 3.696 3.960 0.006 0.000 0.251 383 G C 0.046 174.977 174.900 0.052 0.000 1.008 383 G CA 0.412 45.535 45.100 0.040 0.000 0.724 383 G HN 1.045 nan 8.290 nan 0.000 0.514 384 S N 0.477 116.215 115.700 0.062 0.000 2.565 384 S HA 0.604 5.077 4.470 0.006 0.000 0.274 384 S C -0.051 174.574 174.600 0.041 0.000 1.309 384 S CA -0.498 57.737 58.200 0.058 0.000 1.043 384 S CB 1.339 64.580 63.200 0.067 0.000 0.939 384 S HN 0.160 nan 8.310 nan 0.000 0.504 385 P HA 0.099 nan 4.420 nan 0.000 0.245 385 P C -0.417 176.887 177.300 0.007 0.000 1.212 385 P CA 0.196 63.307 63.100 0.019 0.000 0.774 385 P CB -0.056 31.654 31.700 0.016 0.000 0.999 386 E N 1.243 121.447 120.200 0.007 0.000 2.324 386 E HA 0.126 4.480 4.350 0.006 0.000 0.271 386 E C 0.329 176.909 176.600 -0.033 0.000 1.028 386 E CA -0.105 56.288 56.400 -0.012 0.000 0.890 386 E CB 0.662 30.359 29.700 -0.006 0.000 1.004 386 E HN 0.090 nan 8.360 nan 0.000 0.431 387 K N 1.980 122.345 120.400 -0.059 0.000 2.210 387 K HA 0.499 4.823 4.320 0.006 0.000 0.236 387 K C -0.360 176.120 176.600 -0.200 0.000 1.016 387 K CA -1.107 55.106 56.287 -0.123 0.000 0.913 387 K CB 1.169 33.625 32.500 -0.073 0.000 1.141 387 K HN 0.347 nan 8.250 nan 0.000 0.462 388 M N 1.271 120.609 119.600 -0.438 0.000 2.321 388 M HA 0.404 4.888 4.480 0.006 0.000 0.315 388 M C -1.701 174.422 176.300 -0.296 0.000 1.052 388 M CA -0.708 54.310 55.300 -0.470 0.000 0.936 388 M CB 1.104 33.149 32.600 -0.925 0.000 1.639 388 M HN 0.467 nan 8.290 nan 0.000 0.433 389 F N 6.158 126.003 119.950 -0.174 0.000 2.467 389 F HA 0.821 5.351 4.527 0.005 0.000 0.336 389 F C -1.726 174.102 175.800 0.048 0.000 1.123 389 F CA -0.588 57.392 58.000 -0.035 0.000 0.964 389 F CB 1.317 40.304 39.000 -0.021 0.000 1.136 389 F HN 0.627 nan 8.300 nan 0.000 0.447 390 M N 6.559 125.710 119.600 -0.747 0.000 2.326 390 M HA 0.381 4.865 4.480 0.006 0.000 0.292 390 M C -1.345 174.528 176.300 -0.712 0.000 1.081 390 M CA -0.689 54.284 55.300 -0.544 0.000 0.919 390 M CB 2.554 35.080 32.600 -0.124 0.000 1.634 390 M HN 0.607 nan 8.290 nan 0.000 0.451 391 K N 3.717 123.824 120.400 -0.487 0.000 2.507 391 K HA 0.702 5.025 4.320 0.006 0.000 0.251 391 K C -2.062 174.498 176.600 -0.067 0.000 0.943 391 K CA -0.502 55.653 56.287 -0.220 0.000 0.794 391 K CB 1.779 34.248 32.500 -0.052 0.000 1.188 391 K HN 0.730 nan 8.250 nan 0.000 0.428 392 L N 3.956 125.147 121.223 -0.054 0.000 2.317 392 L HA 0.550 4.894 4.340 0.006 0.000 0.281 392 L C -0.694 176.189 176.870 0.022 0.000 1.024 392 L CA -1.332 53.450 54.840 -0.098 0.000 0.810 392 L CB 1.951 43.849 42.059 -0.270 0.000 1.240 392 L HN 0.318 nan 8.230 nan 0.000 0.427 393 V N 4.037 123.953 119.914 0.003 0.000 2.384 393 V HA 0.463 4.587 4.120 0.006 0.000 0.287 393 V C -0.126 175.961 176.094 -0.012 0.000 1.020 393 V CA -0.557 61.779 62.300 0.060 0.000 0.850 393 V CB 2.052 33.957 31.823 0.136 0.000 0.987 393 V HN 0.435 nan 8.190 nan 0.000 0.436 394 V N 3.295 123.214 119.914 0.009 0.000 2.604 394 V HA 0.407 4.531 4.120 0.006 0.000 0.305 394 V C -0.471 175.554 176.094 -0.115 0.000 1.043 394 V CA -0.730 61.538 62.300 -0.053 0.000 0.888 394 V CB 2.256 34.107 31.823 0.046 0.000 0.995 394 V HN 0.908 nan 8.190 nan 0.000 0.429 395 D N 3.304 123.549 120.400 -0.258 0.000 2.336 395 D HA 0.225 4.869 4.640 0.006 0.000 0.249 395 D C 1.319 177.526 176.300 -0.155 0.000 1.213 395 D CA 0.454 54.227 54.000 -0.377 0.000 0.870 395 D CB 1.693 42.069 40.800 -0.705 0.000 1.076 395 D HN 0.633 nan 8.370 nan 0.000 0.483 396 G N 3.587 112.347 108.800 -0.067 0.000 2.470 396 G HA2 -0.238 3.726 3.960 0.006 0.000 0.220 396 G HA3 -0.238 3.726 3.960 0.006 0.000 0.220 396 G C 1.206 176.103 174.900 -0.005 0.000 1.121 396 G CA 0.498 45.593 45.100 -0.008 0.000 0.766 396 G HN 0.578 nan 8.290 nan 0.000 0.553 397 E N 0.321 120.514 120.200 -0.012 0.000 2.060 397 E HA -0.044 4.309 4.350 0.006 0.000 0.189 397 E C 2.800 179.397 176.600 -0.005 0.000 0.974 397 E CA 1.101 57.505 56.400 0.007 0.000 0.808 397 E CB 0.024 29.743 29.700 0.032 0.000 0.768 397 E HN 0.538 nan 8.360 nan 0.000 0.453 398 S N -0.248 115.434 115.700 -0.030 0.000 2.501 398 S HA 0.050 4.524 4.470 0.006 0.000 0.220 398 S C 1.078 175.658 174.600 -0.034 0.000 0.997 398 S CA -0.145 58.039 58.200 -0.027 0.000 0.919 398 S CB 0.287 63.465 63.200 -0.035 0.000 0.778 398 S HN 0.089 nan 8.310 nan 0.000 0.523 399 R N -0.353 120.118 120.500 -0.047 0.000 3.977 399 R HA -0.118 4.226 4.340 0.006 0.000 0.428 399 R C -0.396 175.862 176.300 -0.070 0.000 1.079 399 R CA 0.908 56.981 56.100 -0.045 0.000 1.269 399 R CB -2.689 27.600 30.300 -0.019 0.000 1.856 399 R HN 0.566 nan 8.270 nan 0.000 0.551 400 I N 1.719 122.237 120.570 -0.086 0.000 2.648 400 I HA -0.016 4.158 4.170 0.006 0.000 0.284 400 I C 1.181 177.219 176.117 -0.132 0.000 1.153 400 I CA -0.033 61.217 61.300 -0.084 0.000 1.426 400 I CB 0.735 38.694 38.000 -0.068 0.000 1.381 400 I HN -0.277 nan 8.210 nan 0.000 0.571 401 V N 7.592 127.426 119.914 -0.132 0.000 2.415 401 V HA -0.017 4.107 4.120 0.006 0.000 0.267 401 V C 0.992 177.016 176.094 -0.116 0.000 1.042 401 V CA -0.072 62.110 62.300 -0.196 0.000 1.000 401 V CB 0.923 32.537 31.823 -0.348 0.000 1.015 401 V HN 0.738 nan 8.190 nan 0.000 0.478 402 V N 2.044 121.892 119.914 -0.109 0.000 3.660 402 V HA 0.648 4.772 4.120 0.006 0.000 0.276 402 V C 0.757 176.848 176.094 -0.006 0.000 1.317 402 V CA 0.759 63.033 62.300 -0.043 0.000 1.097 402 V CB 0.082 31.879 31.823 -0.043 0.000 0.863 402 V HN 0.829 nan 8.190 nan 0.000 0.438 403 G N -0.746 108.023 108.800 -0.052 0.000 2.720 403 G HA2 0.795 4.758 3.960 0.006 0.000 0.295 403 G HA3 0.795 4.758 3.960 0.006 0.000 0.295 403 G C -1.400 173.320 174.900 -0.300 0.000 1.437 403 G CA -0.175 44.862 45.100 -0.106 0.000 0.886 403 G HN 1.025 nan 8.290 nan 0.000 0.509 404 A N 1.725 124.173 122.820 -0.620 0.000 2.459 404 A HA 0.838 5.162 4.320 0.006 0.000 0.296 404 A C -1.396 175.727 177.584 -0.769 0.000 1.039 404 A CA -0.736 50.983 52.037 -0.531 0.000 0.698 404 A CB 1.413 20.280 19.000 -0.222 0.000 1.261 404 A HN 0.816 nan 8.150 nan 0.000 0.405 405 H N 0.981 120.079 119.070 0.047 0.000 2.759 405 H HA 0.624 5.184 4.556 0.006 0.000 0.354 405 H C -1.423 173.977 175.328 0.119 0.000 1.074 405 H CA -0.590 55.536 56.048 0.131 0.000 1.226 405 H CB 1.891 31.800 29.762 0.245 0.000 1.648 405 H HN 0.441 nan 8.280 nan 0.000 0.529 406 V N 3.951 124.017 119.914 0.253 0.000 2.760 406 V HA 0.385 4.508 4.120 0.006 0.000 0.309 406 V C -0.491 175.746 176.094 0.239 0.000 1.077 406 V CA -0.768 61.643 62.300 0.184 0.000 0.910 406 V CB 3.005 34.872 31.823 0.074 0.000 1.008 406 V HN 0.593 nan 8.190 nan 0.000 0.424 407 L N 3.824 125.221 121.223 0.290 0.000 2.436 407 L HA 1.008 5.352 4.340 0.006 0.000 0.268 407 L C -0.006 176.917 176.870 0.089 0.000 0.974 407 L CA 0.684 55.617 54.840 0.156 0.000 0.826 407 L CB 1.825 43.953 42.059 0.116 0.000 1.291 407 L HN 1.059 nan 8.230 nan 0.000 0.406 408 G N 2.991 111.809 108.800 0.030 0.000 2.315 408 G HA2 -0.071 3.893 3.960 0.006 0.000 0.296 408 G HA3 -0.071 3.893 3.960 0.006 0.000 0.296 408 G C -1.227 173.690 174.900 0.028 0.000 1.289 408 G CA -0.325 44.779 45.100 0.006 0.000 0.996 408 G HN 0.939 nan 8.290 nan 0.000 0.487 409 E N 0.405 120.622 120.200 0.028 0.000 2.480 409 E HA 0.260 4.614 4.350 0.006 0.000 0.258 409 E C 0.820 177.468 176.600 0.080 0.000 0.984 409 E CA 0.786 57.224 56.400 0.063 0.000 0.930 409 E CB -0.437 29.291 29.700 0.047 0.000 0.936 409 E HN 0.650 nan 8.360 nan 0.000 0.466 410 N N 2.197 120.970 118.700 0.121 0.000 2.714 410 N HA -0.322 4.422 4.740 0.006 0.000 0.250 410 N C 0.601 176.152 175.510 0.068 0.000 1.117 410 N CA 0.300 53.424 53.050 0.123 0.000 0.719 410 N CB -0.905 37.650 38.487 0.113 0.000 1.081 410 N HN 0.605 nan 8.380 nan 0.000 0.557 411 A N 0.116 122.953 122.820 0.029 0.000 1.948 411 A HA -0.078 4.246 4.320 0.006 0.000 0.220 411 A C 2.425 179.985 177.584 -0.040 0.000 1.177 411 A CA 2.112 54.148 52.037 -0.001 0.000 0.636 411 A CB -0.936 18.056 19.000 -0.014 0.000 0.815 411 A HN 0.586 nan 8.150 nan 0.000 0.449 412 G N -0.440 108.292 108.800 -0.113 0.000 2.421 412 G HA2 -0.210 3.754 3.960 0.006 0.000 0.216 412 G HA3 -0.210 3.754 3.960 0.006 0.000 0.216 412 G C 1.381 176.280 174.900 -0.001 0.000 1.171 412 G CA 0.971 45.995 45.100 -0.127 0.000 0.775 412 G HN 0.509 nan 8.290 nan 0.000 0.543 413 E N 0.609 120.844 120.200 0.058 0.000 2.058 413 E HA -0.123 4.231 4.350 0.006 0.000 0.194 413 E C 2.605 179.229 176.600 0.039 0.000 0.997 413 E CA 0.785 57.225 56.400 0.066 0.000 0.801 413 E CB -0.335 29.416 29.700 0.085 0.000 0.746 413 E HN 0.533 nan 8.360 nan 0.000 0.450 414 I N 1.144 121.735 120.570 0.036 0.000 2.179 414 I HA -0.255 3.918 4.170 0.006 0.000 0.242 414 I C 2.545 178.674 176.117 0.020 0.000 1.088 414 I CA 1.156 62.475 61.300 0.032 0.000 1.357 414 I CB -0.351 37.674 38.000 0.042 0.000 1.051 414 I HN 0.007 nan 8.210 nan 0.000 0.409 415 A N 0.213 123.038 122.820 0.009 0.000 1.902 415 A HA -0.287 4.037 4.320 0.006 0.000 0.217 415 A C 2.234 179.816 177.584 -0.004 0.000 1.181 415 A CA 1.907 53.942 52.037 -0.003 0.000 0.623 415 A CB -0.667 18.325 19.000 -0.014 0.000 0.818 415 A HN 0.452 nan 8.150 nan 0.000 0.443 416 Q N 0.180 119.980 119.800 0.000 0.000 2.096 416 Q HA -0.175 4.168 4.340 0.006 0.000 0.208 416 Q C 1.753 177.754 176.000 0.001 0.000 0.993 416 Q CA 2.238 58.043 55.803 0.003 0.000 0.862 416 Q CB -0.547 28.201 28.738 0.016 0.000 0.915 416 Q HN 0.654 nan 8.270 nan 0.000 0.416 417 L N -0.632 120.593 121.223 0.004 0.000 2.095 417 L HA -0.043 4.301 4.340 0.006 0.000 0.204 417 L C 2.404 179.268 176.870 -0.011 0.000 1.080 417 L CA 0.778 55.614 54.840 -0.006 0.000 0.759 417 L CB -0.390 41.666 42.059 -0.006 0.000 0.914 417 L HN 0.256 nan 8.230 nan 0.000 0.439 418 I N 0.188 120.764 120.570 0.009 0.000 2.335 418 I HA -0.217 3.957 4.170 0.006 0.000 0.251 418 I C 2.555 178.696 176.117 0.040 0.000 1.129 418 I CA 1.333 62.661 61.300 0.046 0.000 1.402 418 I CB -0.855 37.192 38.000 0.079 0.000 1.069 418 I HN 0.307 nan 8.210 nan 0.000 0.424 419 G N 1.225 110.031 108.800 0.010 0.000 2.432 419 G HA2 -0.182 3.781 3.960 0.006 0.000 0.219 419 G HA3 -0.182 3.781 3.960 0.006 0.000 0.219 419 G C 1.669 176.569 174.900 0.000 0.000 1.135 419 G CA 0.479 45.579 45.100 0.000 0.000 0.767 419 G HN 0.338 nan 8.290 nan 0.000 0.550 420 I N 0.919 121.484 120.570 -0.007 0.000 2.202 420 I HA -0.162 4.012 4.170 0.006 0.000 0.242 420 I C 2.975 179.083 176.117 -0.014 0.000 1.091 420 I CA 1.094 62.385 61.300 -0.015 0.000 1.368 420 I CB -0.240 37.744 38.000 -0.026 0.000 1.058 420 I HN 0.082 nan 8.210 nan 0.000 0.410 421 S N 0.849 116.537 115.700 -0.019 0.000 2.368 421 S HA -0.134 4.339 4.470 0.006 0.000 0.225 421 S C 1.922 176.561 174.600 0.066 0.000 1.030 421 S CA 1.262 59.453 58.200 -0.015 0.000 0.999 421 S CB -0.295 62.839 63.200 -0.110 0.000 0.844 421 S HN 0.201 nan 8.310 nan 0.000 0.459 422 L N 1.467 122.740 121.223 0.083 0.000 2.093 422 L HA 0.016 4.359 4.340 0.006 0.000 0.208 422 L C 2.280 179.167 176.870 0.029 0.000 1.085 422 L CA 1.425 56.302 54.840 0.062 0.000 0.755 422 L CB -0.606 41.473 42.059 0.033 0.000 0.904 422 L HN 0.101 nan 8.230 nan 0.000 0.435 423 K N -0.008 120.401 120.400 0.014 0.000 2.103 423 K HA -0.110 4.213 4.320 0.006 0.000 0.207 423 K C 1.902 178.507 176.600 0.008 0.000 1.048 423 K CA 1.413 57.702 56.287 0.005 0.000 0.930 423 K CB -0.770 31.727 32.500 -0.005 0.000 0.716 423 K HN 0.297 nan 8.250 nan 0.000 0.444 424 G N -0.335 108.471 108.800 0.010 0.000 2.848 424 G HA2 -0.112 3.851 3.960 0.006 0.000 0.208 424 G HA3 -0.112 3.851 3.960 0.006 0.000 0.208 424 G C -0.303 174.608 174.900 0.019 0.000 1.152 424 G CA 0.064 45.169 45.100 0.009 0.000 0.789 424 G HN 0.270 nan 8.290 nan 0.000 0.531 425 K N -0.627 119.790 120.400 0.029 0.000 3.071 425 K HA -0.158 4.165 4.320 0.006 0.000 0.265 425 K C 0.289 176.915 176.600 0.043 0.000 1.060 425 K CA 0.365 56.670 56.287 0.030 0.000 0.767 425 K CB -2.123 30.389 32.500 0.020 0.000 1.241 425 K HN 0.374 nan 8.250 nan 0.000 0.486 426 L N 1.289 122.557 121.223 0.075 0.000 2.461 426 L HA 0.045 4.388 4.340 0.006 0.000 0.272 426 L C 1.593 178.543 176.870 0.134 0.000 1.197 426 L CA 0.364 55.265 54.840 0.102 0.000 0.836 426 L CB 0.342 42.468 42.059 0.111 0.000 1.105 426 L HN 0.256 nan 8.230 nan 0.000 0.477 427 T N -1.315 113.299 114.554 0.100 0.000 2.874 427 T HA 0.158 4.512 4.350 0.006 0.000 0.281 427 T C 0.792 175.546 174.700 0.090 0.000 0.994 427 T CA -0.891 61.240 62.100 0.051 0.000 1.015 427 T CB 1.731 70.612 68.868 0.022 0.000 1.028 427 T HN 0.482 nan 8.240 nan 0.000 0.523 428 K N 0.649 121.015 120.400 -0.057 0.000 2.152 428 K HA -0.139 4.184 4.320 0.006 0.000 0.206 428 K C 1.614 178.203 176.600 -0.017 0.000 1.048 428 K CA 1.605 57.788 56.287 -0.172 0.000 0.933 428 K CB -0.825 31.486 32.500 -0.315 0.000 0.721 428 K HN 0.682 nan 8.250 nan 0.000 0.447 429 D N 0.222 120.632 120.400 0.016 0.000 2.182 429 D HA -0.166 4.478 4.640 0.006 0.000 0.201 429 D C 1.651 177.995 176.300 0.075 0.000 0.986 429 D CA 1.041 55.067 54.000 0.042 0.000 0.847 429 D CB 0.048 40.864 40.800 0.026 0.000 0.942 429 D HN 0.211 nan 8.370 nan 0.000 0.467 430 I N 0.376 121.007 120.570 0.101 0.000 2.406 430 I HA -0.159 4.014 4.170 0.006 0.000 0.249 430 I C 2.223 178.377 176.117 0.061 0.000 1.122 430 I CA 0.598 61.936 61.300 0.063 0.000 1.431 430 I CB -1.124 36.896 38.000 0.032 0.000 1.087 430 I HN -0.109 nan 8.210 nan 0.000 0.424 431 F N 1.907 121.815 119.950 -0.070 0.000 2.091 431 F HA -0.247 4.283 4.527 0.006 0.000 0.299 431 F C 2.318 178.082 175.800 -0.061 0.000 1.103 431 F CA 1.733 59.681 58.000 -0.086 0.000 1.228 431 F CB -0.789 38.125 39.000 -0.144 0.000 0.984 431 F HN 0.142 nan 8.300 nan 0.000 0.477 432 D N -0.365 120.135 120.400 0.167 0.000 2.219 432 D HA -0.140 4.503 4.640 0.006 0.000 0.205 432 D C 2.044 178.461 176.300 0.196 0.000 0.970 432 D CA 0.990 55.111 54.000 0.203 0.000 0.851 432 D CB -0.335 40.628 40.800 0.272 0.000 0.943 432 D HN 0.227 nan 8.370 nan 0.000 0.488 433 K N -0.084 120.376 120.400 0.100 0.000 2.366 433 K HA 0.019 4.342 4.320 0.006 0.000 0.198 433 K C -0.008 176.609 176.600 0.028 0.000 1.044 433 K CA 0.388 56.707 56.287 0.053 0.000 0.973 433 K CB 0.293 32.807 32.500 0.023 0.000 0.767 433 K HN -0.043 nan 8.250 nan 0.000 0.475 434 T N 1.945 116.506 114.554 0.011 0.000 2.799 434 T HA 0.046 4.400 4.350 0.006 0.000 0.296 434 T C -0.096 174.604 174.700 -0.001 0.000 0.947 434 T CA -0.238 61.846 62.100 -0.026 0.000 1.141 434 T CB 0.604 69.420 68.868 -0.087 0.000 0.891 434 T HN 0.069 nan 8.240 nan 0.000 0.533 435 M N 4.075 123.673 119.600 -0.003 0.000 2.252 435 M HA 0.355 4.839 4.480 0.006 0.000 0.348 435 M C 0.427 176.728 176.300 0.001 0.000 1.334 435 M CA -0.265 55.039 55.300 0.007 0.000 1.071 435 M CB -0.130 32.473 32.600 0.004 0.000 1.763 435 M HN 0.712 nan 8.290 nan 0.000 0.452 436 A N 4.932 127.756 122.820 0.008 0.000 2.498 436 A HA 0.460 4.784 4.320 0.006 0.000 0.239 436 A C -0.591 177.010 177.584 0.027 0.000 1.068 436 A CA -0.592 51.449 52.037 0.007 0.000 0.766 436 A CB -0.011 18.988 19.000 -0.002 0.000 1.003 436 A HN 0.721 nan 8.150 nan 0.000 0.497 437 V N 3.398 123.334 119.914 0.037 0.000 2.370 437 V HA 0.345 4.469 4.120 0.006 0.000 0.279 437 V C -0.179 175.979 176.094 0.108 0.000 1.029 437 V CA -0.202 62.132 62.300 0.056 0.000 0.870 437 V CB 0.868 32.709 31.823 0.029 0.000 0.984 437 V HN 0.981 nan 8.190 nan 0.000 0.451 438 H N 5.911 124.981 119.070 -0.001 0.000 2.538 438 H HA 0.743 5.303 4.556 0.006 0.000 0.353 438 H C -2.544 172.791 175.328 0.012 0.000 1.109 438 H CA -1.877 54.172 56.048 0.002 0.000 1.192 438 H CB 2.118 31.881 29.762 0.000 0.000 1.555 438 H HN 0.522 nan 8.280 nan 0.000 0.518 439 P HA 0.298 nan 4.420 nan 0.000 0.297 439 P C -1.130 176.106 177.300 -0.107 0.000 1.331 439 P CA -0.620 62.201 63.100 -0.466 0.000 0.803 439 P CB 1.344 32.724 31.700 -0.534 0.000 0.929 440 T N -1.446 113.107 114.554 -0.002 0.000 2.838 440 T HA 0.473 4.827 4.350 0.006 0.000 0.292 440 T C 0.974 175.716 174.700 0.071 0.000 1.113 440 T CA -0.882 61.240 62.100 0.036 0.000 1.008 440 T CB 1.117 70.008 68.868 0.039 0.000 1.259 440 T HN 0.127 nan 8.240 nan 0.000 0.520 441 M N 0.442 120.114 119.600 0.119 0.000 2.287 441 M HA 0.032 4.516 4.480 0.006 0.000 0.266 441 M C 2.360 178.746 176.300 0.144 0.000 1.079 441 M CA 0.960 56.392 55.300 0.219 0.000 1.146 441 M CB -0.395 32.378 32.600 0.289 0.000 1.374 441 M HN 0.666 nan 8.290 nan 0.000 0.435 442 S N 1.117 116.873 115.700 0.093 0.000 2.447 442 S HA -0.139 4.335 4.470 0.006 0.000 0.233 442 S C 1.586 176.194 174.600 0.014 0.000 1.006 442 S CA 1.317 59.552 58.200 0.059 0.000 0.957 442 S CB -0.491 62.734 63.200 0.043 0.000 0.773 442 S HN 0.585 nan 8.310 nan 0.000 0.507 443 E N 1.357 121.555 120.200 -0.003 0.000 2.265 443 E HA -0.175 4.179 4.350 0.006 0.000 0.196 443 E C 1.254 177.796 176.600 -0.095 0.000 0.996 443 E CA 0.894 57.274 56.400 -0.032 0.000 0.832 443 E CB -0.230 29.470 29.700 0.000 0.000 0.756 443 E HN 0.316 nan 8.360 nan 0.000 0.491 444 E N 1.077 121.188 120.200 -0.148 0.000 2.209 444 E HA -0.134 4.220 4.350 0.006 0.000 0.196 444 E C 2.111 178.626 176.600 -0.142 0.000 0.993 444 E CA 0.737 57.003 56.400 -0.223 0.000 0.819 444 E CB -0.189 29.279 29.700 -0.387 0.000 0.745 444 E HN 0.454 nan 8.360 nan 0.000 0.477 445 L N 0.457 121.643 121.223 -0.063 0.000 2.376 445 L HA -0.078 4.266 4.340 0.006 0.000 0.219 445 L C 2.052 178.920 176.870 -0.002 0.000 1.133 445 L CA 0.544 55.377 54.840 -0.011 0.000 0.816 445 L CB -0.013 42.093 42.059 0.078 0.000 0.933 445 L HN 0.027 nan 8.230 nan 0.000 0.449 446 V N -5.347 114.529 119.914 -0.062 0.000 3.483 446 V HA 0.164 4.288 4.120 0.006 0.000 0.301 446 V C 1.189 177.133 176.094 -0.251 0.000 1.389 446 V CA 0.650 62.910 62.300 -0.068 0.000 1.101 446 V CB -0.242 31.561 31.823 -0.034 0.000 0.971 446 V HN 0.398 nan 8.190 nan 0.000 0.434 447 T N -3.608 110.697 114.554 -0.415 0.000 3.231 447 T HA 0.440 4.794 4.350 0.006 0.000 0.292 447 T C 0.463 174.668 174.700 -0.824 0.000 1.001 447 T CA -0.130 61.470 62.100 -0.834 0.000 0.920 447 T CB -0.140 68.473 68.868 -0.425 0.000 1.140 447 T HN 0.293 nan 8.240 nan 0.000 0.525 448 M N 2.348 121.646 119.600 -0.503 0.000 3.586 448 M HA 0.326 4.809 4.480 0.006 0.000 0.225 448 M C 0.078 176.304 176.300 -0.124 0.000 1.428 448 M CA -0.430 54.727 55.300 -0.238 0.000 1.613 448 M CB -0.274 32.279 32.600 -0.078 0.000 1.063 448 M HN 0.181 nan 8.290 nan 0.000 0.593 449 Y N 0.359 120.690 120.300 0.051 0.000 2.200 449 Y HA -0.086 4.467 4.550 0.006 0.000 0.290 449 Y C 1.730 177.729 175.900 0.166 0.000 1.137 449 Y CA 0.952 59.086 58.100 0.057 0.000 1.163 449 Y CB -0.549 37.926 38.460 0.026 0.000 0.988 449 Y HN 0.417 nan 8.280 nan 0.000 0.518 450 K N 1.778 122.352 120.400 0.290 0.000 2.138 450 K HA 0.468 4.792 4.320 0.006 0.000 0.263 450 K C -2.847 173.799 176.600 0.077 0.000 0.965 450 K CA -2.319 54.084 56.287 0.193 0.000 0.868 450 K CB -0.515 32.043 32.500 0.097 0.000 1.083 450 K HN -0.101 nan 8.250 nan 0.000 0.443 451 P HA 0.178 nan 4.420 nan 0.000 0.269 451 P C 0.258 177.318 177.300 -0.400 0.000 1.209 451 P CA -0.177 62.452 63.100 -0.784 0.000 0.776 451 P CB 1.177 32.446 31.700 -0.719 0.000 0.876 452 S N 1.048 116.474 115.700 -0.457 0.000 2.368 452 S HA -0.022 4.452 4.470 0.006 0.000 0.224 452 S C 0.423 174.947 174.600 -0.127 0.000 1.029 452 S CA 1.308 59.359 58.200 -0.249 0.000 0.988 452 S CB -0.682 62.340 63.200 -0.295 0.000 0.838 452 S HN 0.722 nan 8.310 nan 0.000 0.462 453 Y N -3.022 117.140 120.300 -0.230 0.000 2.818 453 Y HA 0.712 5.266 4.550 0.006 0.000 0.341 453 Y C -1.447 174.285 175.900 -0.280 0.000 1.283 453 Y CA -1.582 56.375 58.100 -0.238 0.000 1.075 453 Y CB 0.809 39.124 38.460 -0.242 0.000 1.370 453 Y HN -0.239 nan 8.280 nan 0.000 0.448 454 V N 0.800 120.682 119.914 -0.053 0.000 2.971 454 V HA 0.467 4.591 4.120 0.006 0.000 0.309 454 V C -1.577 174.432 176.094 -0.142 0.000 1.130 454 V CA -1.070 61.174 62.300 -0.093 0.000 0.964 454 V CB 2.159 33.944 31.823 -0.064 0.000 1.029 454 V HN 0.728 nan 8.190 nan 0.000 0.427 455 Y N 0.834 121.173 120.300 0.066 0.000 2.387 455 Y HA 0.692 5.246 4.550 0.006 0.000 0.336 455 Y C 0.556 176.472 175.900 0.026 0.000 1.067 455 Y CA -0.335 57.791 58.100 0.044 0.000 1.114 455 Y CB 1.717 40.200 38.460 0.038 0.000 1.208 455 Y HN 0.765 nan 8.280 nan 0.000 0.458 456 E N 1.646 121.948 120.200 0.170 0.000 2.224 456 E HA 0.418 4.772 4.350 0.006 0.000 0.265 456 E C -0.460 176.196 176.600 0.093 0.000 0.878 456 E CA -1.135 55.329 56.400 0.107 0.000 0.759 456 E CB 0.812 30.550 29.700 0.063 0.000 1.164 456 E HN 0.748 nan 8.360 nan 0.000 0.414 457 N N 1.189 119.933 118.700 0.074 0.000 2.725 457 N HA -0.221 4.523 4.740 0.006 0.000 0.251 457 N C 1.167 176.694 175.510 0.028 0.000 1.031 457 N CA 2.204 55.281 53.050 0.045 0.000 0.720 457 N CB -1.340 37.169 38.487 0.038 0.000 0.930 457 N HN 1.977 nan 8.380 nan 0.000 0.543 458 G N -2.537 106.267 108.800 0.006 0.000 2.184 458 G HA2 -0.233 3.731 3.960 0.006 0.000 0.264 458 G HA3 -0.233 3.731 3.960 0.006 0.000 0.264 458 G C 0.010 174.938 174.900 0.048 0.000 0.975 458 G CA 1.368 46.415 45.100 -0.089 0.000 0.642 458 G HN 1.112 nan 8.290 nan 0.000 0.536 459 E N 0.290 120.592 120.200 0.170 0.000 2.199 459 E HA 0.728 5.082 4.350 0.006 0.000 0.265 459 E C -0.096 176.615 176.600 0.185 0.000 0.882 459 E CA -0.224 56.275 56.400 0.166 0.000 0.759 459 E CB 1.115 30.855 29.700 0.067 0.000 1.148 459 E HN 0.579 nan 8.360 nan 0.000 0.412 460 K N 2.567 123.016 120.400 0.082 0.000 2.350 460 K HA 0.342 4.666 4.320 0.006 0.000 0.279 460 K C -0.462 176.045 176.600 -0.156 0.000 1.027 460 K CA -0.282 55.844 56.287 -0.269 0.000 0.969 460 K CB 0.291 32.526 32.500 -0.442 0.000 0.954 460 K HN 0.603 nan 8.250 nan 0.000 0.474 461 L N 4.100 125.233 121.223 -0.150 0.000 2.350 461 L HA 0.186 4.530 4.340 0.006 0.000 0.275 461 L C 0.488 177.303 176.870 -0.091 0.000 1.099 461 L CA -0.839 53.951 54.840 -0.083 0.000 0.808 461 L CB 0.989 43.018 42.059 -0.050 0.000 1.149 461 L HN 0.714 nan 8.230 nan 0.000 0.442 462 D N 0.000 120.360 120.400 -0.066 0.000 6.856 462 D HA 0.000 4.644 4.640 0.006 0.000 0.175 462 D CA 0.000 53.962 54.000 -0.063 0.000 0.868 462 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683