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 1q19_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNSFCVVYKG SDTDINNIQR DFDGKGEALS NGYLFIEQNG HYQKCEMERG DATA SEQUENCE TAYLIGSLYN RTFLIGLAGV WEGEAYLAND AELLALLFTR LGANALALAE DATA SEQUENCE GDFCFFIDEP NGELTVITES RGFSPVHVVQ GKKAWMTNSL KLVTAAEGEG DATA SEQUENCE ALWFEEEALV CQSLMRADTY TPVKNAQRLK PGAVHVLTHD SEGYSFVESR DATA SEQUENCE TLTTPASNQL LALPREPLLA LIDRYLNAPL EDLAPRFDTV GIPLSGGLDS DATA SEQUENCE SLVTALASRH FKKLNTYSIG TELSNEFEFS QQVADALGTH HQMKILSETE DATA SEQUENCE VINGIIESIY YNEIFDGLSA EIQSGLFNVY RQAQGQVSCM LTGYGSDLLF DATA SEQUENCE GGILKPGAQY DNPNQLLAEQ VYRTRWTGEF ATHGASCYGI DIRHPFWSHS DATA SEQUENCE LISLCHALHP DYKIFDNEVK NILREYADSL QLLPKDIVWR KKIGIHEGSS DATA SEQUENCE VNQAFANVLG STVDNYQTKS RFTYRVYQAF LRGRLSITDV TPSQLKDLIK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.230 58.200 0.050 0.000 1.107 2 S CB 0.000 63.203 63.200 0.004 0.000 0.593 3 N N 0.767 119.501 118.700 0.056 0.000 2.004 3 N HA -0.042 4.697 4.740 -0.001 0.000 0.282 3 N C 0.160 175.781 175.510 0.186 0.000 1.294 3 N CA 0.875 53.991 53.050 0.110 0.000 0.738 3 N CB -0.077 38.528 38.487 0.196 0.000 1.528 3 N HN 0.377 nan 8.380 nan 0.000 0.642 4 S N -0.079 115.650 115.700 0.048 0.000 2.634 4 S HA 0.644 5.113 4.470 -0.001 0.000 0.261 4 S C 0.047 174.740 174.600 0.156 0.000 1.271 4 S CA -0.200 58.008 58.200 0.012 0.000 0.985 4 S CB 0.561 63.535 63.200 -0.376 0.000 0.968 4 S HN 0.421 nan 8.310 nan 0.000 0.568 5 F N -1.999 117.964 119.950 0.021 0.000 2.745 5 F HA 0.802 5.328 4.527 -0.001 0.000 0.316 5 F C -0.868 175.009 175.800 0.128 0.000 1.155 5 F CA -1.225 56.804 58.000 0.050 0.000 0.937 5 F CB 0.839 39.861 39.000 0.036 0.000 1.361 5 F HN 1.124 nan 8.300 nan 0.000 0.472 6 C N 0.458 119.874 119.300 0.193 0.000 3.307 6 C HA 0.920 5.380 4.460 -0.001 0.000 0.333 6 C C -1.807 173.342 174.990 0.265 0.000 1.291 6 C CA -0.935 58.138 59.018 0.091 0.000 1.273 6 C CB 1.157 28.992 27.740 0.159 0.000 1.580 6 C HN 1.041 nan 8.230 nan 0.000 0.481 7 V N 1.083 121.089 119.914 0.155 0.000 2.841 7 V HA 0.850 4.969 4.120 -0.001 0.000 0.310 7 V C -0.715 175.311 176.094 -0.114 0.000 1.090 7 V CA -0.462 61.850 62.300 0.019 0.000 0.930 7 V CB 1.752 33.490 31.823 -0.141 0.000 1.014 7 V HN 1.180 nan 8.190 nan 0.000 0.425 8 V N 4.713 124.446 119.914 -0.301 0.000 2.588 8 V HA 0.569 4.689 4.120 -0.001 0.000 0.304 8 V C -1.296 174.590 176.094 -0.347 0.000 1.042 8 V CA -0.622 61.282 62.300 -0.659 0.000 0.877 8 V CB 1.729 32.715 31.823 -1.394 0.000 0.996 8 V HN 0.810 nan 8.190 nan 0.000 0.425 9 Y N 6.947 127.020 120.300 -0.378 0.000 2.496 9 Y HA 0.355 4.904 4.550 -0.001 0.000 0.334 9 Y C 1.037 176.780 175.900 -0.262 0.000 1.080 9 Y CA 0.009 57.955 58.100 -0.256 0.000 1.355 9 Y CB 0.201 38.567 38.460 -0.157 0.000 1.193 9 Y HN 0.838 nan 8.280 nan 0.000 0.523 10 K N 3.499 123.428 120.400 -0.784 0.000 3.244 10 K HA -0.175 4.145 4.320 -0.001 0.000 0.270 10 K C -0.092 176.309 176.600 -0.331 0.000 1.016 10 K CA 0.748 56.666 56.287 -0.616 0.000 0.754 10 K CB -1.622 30.430 32.500 -0.747 0.000 1.326 10 K HN 0.920 nan 8.250 nan 0.000 0.465 11 G N 0.527 109.185 108.800 -0.237 0.000 2.448 11 G HA2 0.580 4.540 3.960 -0.001 0.000 0.324 11 G HA3 0.580 4.540 3.960 -0.001 0.000 0.324 11 G C 0.020 174.930 174.900 0.016 0.000 1.203 11 G CA -0.073 44.931 45.100 -0.160 0.000 0.954 11 G HN 0.219 nan 8.290 nan 0.000 0.480 12 S N 0.110 115.783 115.700 -0.045 0.000 2.718 12 S HA 0.336 4.805 4.470 -0.001 0.000 0.292 12 S C 0.516 174.897 174.600 -0.364 0.000 1.125 12 S CA -0.299 57.866 58.200 -0.058 0.000 1.013 12 S CB 1.475 64.643 63.200 -0.053 0.000 1.192 12 S HN 0.373 nan 8.310 nan 0.000 0.535 13 D N 0.657 120.792 120.400 -0.441 0.000 2.264 13 D HA 0.043 4.683 4.640 -0.001 0.000 0.208 13 D C 1.635 177.782 176.300 -0.255 0.000 0.966 13 D CA 1.224 54.907 54.000 -0.528 0.000 0.864 13 D CB -0.436 40.177 40.800 -0.312 0.000 0.933 13 D HN 0.570 nan 8.370 nan 0.000 0.499 14 T N 0.510 114.970 114.554 -0.157 0.000 2.595 14 T HA -0.184 4.165 4.350 -0.001 0.000 0.264 14 T C 1.410 176.080 174.700 -0.050 0.000 1.058 14 T CA 1.256 63.308 62.100 -0.080 0.000 1.166 14 T CB -0.390 68.450 68.868 -0.048 0.000 0.863 14 T HN 0.165 nan 8.240 nan 0.000 0.415 15 D N 0.724 121.112 120.400 -0.020 0.000 2.271 15 D HA -0.087 4.553 4.640 -0.001 0.000 0.207 15 D C 1.887 178.253 176.300 0.110 0.000 0.983 15 D CA 0.786 54.849 54.000 0.106 0.000 0.878 15 D CB -0.070 40.828 40.800 0.164 0.000 0.920 15 D HN 0.299 nan 8.370 nan 0.000 0.479 16 I N 1.093 121.649 120.570 -0.024 0.000 2.585 16 I HA -0.106 4.063 4.170 -0.001 0.000 0.254 16 I C 1.847 177.906 176.117 -0.096 0.000 1.129 16 I CA 0.426 61.691 61.300 -0.059 0.000 1.455 16 I CB -0.958 36.981 38.000 -0.101 0.000 1.111 16 I HN -0.069 nan 8.210 nan 0.000 0.433 17 N N 2.096 120.749 118.700 -0.079 0.000 2.094 17 N HA -0.191 4.548 4.740 -0.001 0.000 0.191 17 N C 1.428 176.901 175.510 -0.061 0.000 1.023 17 N CA 1.244 54.259 53.050 -0.059 0.000 0.857 17 N CB -0.598 37.860 38.487 -0.049 0.000 1.013 17 N HN 0.447 nan 8.380 nan 0.000 0.426 18 N N 1.171 119.836 118.700 -0.059 0.000 2.104 18 N HA -0.088 4.651 4.740 -0.001 0.000 0.190 18 N C 1.963 177.422 175.510 -0.086 0.000 1.024 18 N CA 0.816 53.828 53.050 -0.062 0.000 0.853 18 N CB -0.255 38.202 38.487 -0.051 0.000 1.008 18 N HN 0.357 nan 8.380 nan 0.000 0.424 19 I N 1.390 121.876 120.570 -0.140 0.000 2.163 19 I HA -0.214 3.956 4.170 -0.001 0.000 0.240 19 I C 1.974 178.000 176.117 -0.152 0.000 1.081 19 I CA 1.020 62.201 61.300 -0.199 0.000 1.353 19 I CB -0.389 37.288 38.000 -0.539 0.000 1.054 19 I HN 0.018 nan 8.210 nan 0.000 0.407 20 Q N 0.386 120.075 119.800 -0.186 0.000 2.561 20 Q HA -0.149 4.190 4.340 -0.001 0.000 0.217 20 Q C 2.060 178.058 176.000 -0.003 0.000 0.980 20 Q CA 0.466 56.259 55.803 -0.016 0.000 0.927 20 Q CB -0.021 28.753 28.738 0.059 0.000 0.980 20 Q HN 0.302 nan 8.270 nan 0.000 0.525 21 R N 0.044 120.515 120.500 -0.049 0.000 2.175 21 R HA -0.038 4.301 4.340 -0.001 0.000 0.202 21 R C 0.335 176.559 176.300 -0.126 0.000 1.018 21 R CA 0.981 57.042 56.100 -0.066 0.000 1.029 21 R CB 0.579 30.840 30.300 -0.065 0.000 0.959 21 R HN 0.219 nan 8.270 nan 0.000 0.480 22 D N -0.840 119.438 120.400 -0.203 0.000 2.392 22 D HA 0.130 4.769 4.640 -0.001 0.000 0.206 22 D C -0.387 175.398 176.300 -0.859 0.000 1.046 22 D CA 0.427 54.120 54.000 -0.512 0.000 0.865 22 D CB 0.527 40.949 40.800 -0.630 0.000 0.969 22 D HN -0.014 nan 8.370 nan 0.000 0.509 23 F N 0.524 120.461 119.950 -0.021 0.000 2.613 23 F HA 0.328 4.854 4.527 -0.001 0.000 0.314 23 F C -0.057 175.821 175.800 0.129 0.000 1.075 23 F CA -1.169 56.865 58.000 0.056 0.000 0.945 23 F CB 1.501 40.536 39.000 0.059 0.000 1.310 23 F HN -0.428 nan 8.300 nan 0.000 0.467 24 D N 0.334 120.955 120.400 0.367 0.000 2.163 24 D HA 0.690 5.329 4.640 -0.001 0.000 0.248 24 D C 0.187 176.691 176.300 0.340 0.000 1.035 24 D CA 0.201 54.371 54.000 0.283 0.000 0.872 24 D CB 1.808 42.706 40.800 0.163 0.000 1.183 24 D HN 0.860 nan 8.370 nan 0.000 0.445 25 G N 0.524 109.489 108.800 0.275 0.000 2.341 25 G HA2 0.353 4.312 3.960 -0.001 0.000 0.293 25 G HA3 0.353 4.312 3.960 -0.001 0.000 0.293 25 G C -1.644 173.314 174.900 0.097 0.000 1.298 25 G CA -0.907 44.220 45.100 0.045 0.000 0.868 25 G HN 0.528 nan 8.290 nan 0.000 0.540 26 K N -1.026 119.315 120.400 -0.098 0.000 2.328 26 K HA 0.799 5.119 4.320 -0.001 0.000 0.246 26 K C -0.159 176.463 176.600 0.038 0.000 0.955 26 K CA -0.628 55.680 56.287 0.035 0.000 0.817 26 K CB 2.571 35.087 32.500 0.027 0.000 1.208 26 K HN 1.178 nan 8.250 nan 0.000 0.432 27 G N 1.360 110.272 108.800 0.186 0.000 2.487 27 G HA2 0.275 4.235 3.960 -0.001 0.000 0.314 27 G HA3 0.275 4.235 3.960 -0.001 0.000 0.314 27 G C -1.436 173.663 174.900 0.331 0.000 1.267 27 G CA -0.457 44.809 45.100 0.277 0.000 0.937 27 G HN 0.693 nan 8.290 nan 0.000 0.481 28 E N 1.672 122.025 120.200 0.255 0.000 2.191 28 E HA 0.640 4.989 4.350 -0.001 0.000 0.274 28 E C 0.083 176.615 176.600 -0.114 0.000 0.948 28 E CA -0.819 55.673 56.400 0.153 0.000 0.802 28 E CB 1.725 31.488 29.700 0.104 0.000 1.137 28 E HN 0.581 nan 8.360 nan 0.000 0.397 29 A N 4.249 126.801 122.820 -0.447 0.000 2.340 29 A HA 0.516 4.835 4.320 -0.001 0.000 0.268 29 A C -0.502 176.823 177.584 -0.431 0.000 1.100 29 A CA -0.407 51.019 52.037 -1.019 0.000 0.803 29 A CB 0.370 18.815 19.000 -0.925 0.000 1.043 29 A HN 0.645 nan 8.150 nan 0.000 0.488 30 L N 0.886 121.868 121.223 -0.402 0.000 2.341 30 L HA 0.381 4.721 4.340 -0.001 0.000 0.267 30 L C 1.970 178.753 176.870 -0.145 0.000 1.022 30 L CA -0.053 54.676 54.840 -0.184 0.000 0.844 30 L CB 1.343 43.303 42.059 -0.165 0.000 1.436 30 L HN 0.966 nan 8.230 nan 0.000 0.483 31 S N -0.122 115.541 115.700 -0.061 0.000 2.354 31 S HA -0.167 4.302 4.470 -0.001 0.000 0.219 31 S C 0.766 175.310 174.600 -0.093 0.000 1.035 31 S CA 1.553 59.722 58.200 -0.051 0.000 1.037 31 S CB -0.452 62.746 63.200 -0.003 0.000 0.956 31 S HN 0.722 nan 8.310 nan 0.000 0.428 32 N N 1.588 120.227 118.700 -0.102 0.000 2.660 32 N HA 0.645 5.384 4.740 -0.001 0.000 0.316 32 N C -0.128 175.224 175.510 -0.262 0.000 1.774 32 N CA 0.323 53.259 53.050 -0.190 0.000 0.946 32 N CB 1.340 39.724 38.487 -0.172 0.000 1.322 32 N HN 0.696 nan 8.380 nan 0.000 0.492 33 G N -0.560 108.106 108.800 -0.223 0.000 2.323 33 G HA2 0.242 4.202 3.960 -0.001 0.000 0.291 33 G HA3 0.242 4.202 3.960 -0.001 0.000 0.291 33 G C -2.297 172.480 174.900 -0.204 0.000 1.278 33 G CA -0.617 44.363 45.100 -0.200 0.000 0.860 33 G HN 0.026 nan 8.290 nan 0.000 0.504 34 Y N -1.030 119.179 120.300 -0.151 0.000 2.512 34 Y HA 0.721 5.271 4.550 -0.001 0.000 0.348 34 Y C -0.532 175.333 175.900 -0.059 0.000 0.990 34 Y CA -0.802 57.246 58.100 -0.086 0.000 1.033 34 Y CB 2.406 40.828 38.460 -0.063 0.000 1.259 34 Y HN 0.652 nan 8.280 nan 0.000 0.461 35 L N 4.961 126.285 121.223 0.168 0.000 2.349 35 L HA 0.592 4.932 4.340 -0.001 0.000 0.278 35 L C -1.980 175.029 176.870 0.232 0.000 0.996 35 L CA -0.656 54.266 54.840 0.136 0.000 0.825 35 L CB 0.823 42.867 42.059 -0.025 0.000 1.243 35 L HN 0.456 nan 8.230 nan 0.000 0.412 36 F N 6.592 126.624 119.950 0.137 0.000 2.443 36 F HA 0.733 5.259 4.527 -0.001 0.000 0.335 36 F C -0.962 174.895 175.800 0.096 0.000 1.104 36 F CA -0.837 57.228 58.000 0.108 0.000 1.013 36 F CB 1.477 40.545 39.000 0.114 0.000 1.136 36 F HN 0.530 nan 8.300 nan 0.000 0.470 37 I N 5.614 125.588 120.570 -0.993 0.000 2.468 37 I HA 0.322 4.492 4.170 -0.001 0.000 0.285 37 I C -0.573 174.985 176.117 -0.931 0.000 1.039 37 I CA -0.366 60.495 61.300 -0.731 0.000 1.074 37 I CB 1.326 39.021 38.000 -0.508 0.000 1.228 37 I HN 0.742 nan 8.210 nan 0.000 0.436 38 E N 4.297 124.114 120.200 -0.639 0.000 2.467 38 E HA -0.103 4.246 4.350 -0.001 0.000 0.264 38 E C 0.977 177.489 176.600 -0.148 0.000 1.020 38 E CA 0.527 56.764 56.400 -0.271 0.000 0.945 38 E CB 0.827 30.514 29.700 -0.020 0.000 0.942 38 E HN 0.698 nan 8.360 nan 0.000 0.449 39 Q N 2.921 122.705 119.800 -0.028 0.000 2.045 39 Q HA -0.313 4.026 4.340 -0.001 0.000 0.215 39 Q C 0.550 176.531 176.000 -0.030 0.000 1.026 39 Q CA 2.631 58.433 55.803 -0.003 0.000 0.885 39 Q CB -0.111 28.656 28.738 0.048 0.000 0.984 39 Q HN 0.572 nan 8.270 nan 0.000 0.414 40 N N 0.024 118.697 118.700 -0.045 0.000 2.322 40 N HA 0.167 4.906 4.740 -0.001 0.000 0.216 40 N C -0.546 174.821 175.510 -0.237 0.000 1.144 40 N CA 0.714 53.702 53.050 -0.103 0.000 0.830 40 N CB 0.471 38.913 38.487 -0.075 0.000 1.034 40 N HN 0.286 nan 8.380 nan 0.000 0.484 41 G N 0.090 108.790 108.800 -0.167 0.000 2.372 41 G HA2 0.219 4.178 3.960 -0.001 0.000 0.283 41 G HA3 0.219 4.178 3.960 -0.001 0.000 0.283 41 G C -0.303 174.525 174.900 -0.120 0.000 1.177 41 G CA -0.301 44.705 45.100 -0.158 0.000 0.842 41 G HN 0.257 nan 8.290 nan 0.000 0.503 42 H N 0.538 119.693 119.070 0.142 0.000 2.481 42 H HA 0.497 5.053 4.556 -0.001 0.000 0.339 42 H C -0.668 174.809 175.328 0.250 0.000 1.131 42 H CA 0.059 56.208 56.048 0.168 0.000 1.301 42 H CB 1.706 31.535 29.762 0.112 0.000 1.476 42 H HN 0.679 nan 8.280 nan 0.000 0.529 43 Y N -0.532 119.845 120.300 0.128 0.000 2.583 43 Y HA 0.340 4.890 4.550 -0.001 0.000 0.330 43 Y C -1.993 173.914 175.900 0.013 0.000 1.185 43 Y CA -0.987 57.142 58.100 0.047 0.000 1.107 43 Y CB 0.996 39.472 38.460 0.027 0.000 1.344 43 Y HN 0.393 nan 8.280 nan 0.000 0.463 44 Q N 3.240 122.866 119.800 -0.289 0.000 2.451 44 Q HA 0.538 4.878 4.340 -0.001 0.000 0.281 44 Q C -1.424 174.343 176.000 -0.388 0.000 1.099 44 Q CA -1.037 54.521 55.803 -0.408 0.000 0.806 44 Q CB 3.367 31.970 28.738 -0.226 0.000 1.419 44 Q HN 0.888 nan 8.270 nan 0.000 0.427 45 K N -1.006 119.130 120.400 -0.439 0.000 2.395 45 K HA 0.826 5.145 4.320 -0.001 0.000 0.247 45 K C -0.994 175.382 176.600 -0.373 0.000 0.973 45 K CA -0.757 55.198 56.287 -0.554 0.000 0.828 45 K CB 2.102 34.183 32.500 -0.698 0.000 1.272 45 K HN 0.588 nan 8.250 nan 0.000 0.439 46 C N 1.095 120.172 119.300 -0.370 0.000 2.985 46 C HA 0.381 4.840 4.460 -0.001 0.000 0.332 46 C C -1.402 173.473 174.990 -0.191 0.000 1.164 46 C CA -0.468 58.422 59.018 -0.215 0.000 1.347 46 C CB 1.659 29.323 27.740 -0.126 0.000 1.764 46 C HN 0.913 nan 8.230 nan 0.000 0.489 47 E N 4.755 124.881 120.200 -0.123 0.000 2.089 47 E HA 0.398 4.748 4.350 -0.001 0.000 0.284 47 E C -0.303 176.270 176.600 -0.045 0.000 1.023 47 E CA 0.196 56.545 56.400 -0.085 0.000 0.819 47 E CB 1.215 30.877 29.700 -0.064 0.000 1.076 47 E HN 0.695 nan 8.360 nan 0.000 0.396 48 M N 1.385 120.964 119.600 -0.035 0.000 2.753 48 M HA 0.256 4.736 4.480 -0.001 0.000 0.299 48 M C 1.364 177.673 176.300 0.014 0.000 1.219 48 M CA -0.602 54.700 55.300 0.003 0.000 0.900 48 M CB 1.244 33.849 32.600 0.008 0.000 1.628 48 M HN 0.304 nan 8.290 nan 0.000 0.502 49 E N 0.211 120.432 120.200 0.035 0.000 2.152 49 E HA -0.124 4.226 4.350 -0.001 0.000 0.192 49 E C 1.546 178.171 176.600 0.041 0.000 0.983 49 E CA 1.059 57.481 56.400 0.036 0.000 0.818 49 E CB 0.138 29.864 29.700 0.043 0.000 0.758 49 E HN 0.366 nan 8.360 nan 0.000 0.467 50 R N -0.113 120.420 120.500 0.055 0.000 2.307 50 R HA 0.093 4.433 4.340 -0.001 0.000 0.199 50 R C 0.370 176.695 176.300 0.042 0.000 1.000 50 R CA 0.750 56.886 56.100 0.060 0.000 1.023 50 R CB 0.422 30.778 30.300 0.093 0.000 0.908 50 R HN 0.237 nan 8.270 nan 0.000 0.473 51 G N -2.327 106.487 108.800 0.023 0.000 2.350 51 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.282 51 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.282 51 G C -1.286 173.607 174.900 -0.011 0.000 1.314 51 G CA -0.729 44.382 45.100 0.019 0.000 0.915 51 G HN -0.069 nan 8.290 nan 0.000 0.499 52 T N 1.354 115.912 114.554 0.008 0.000 2.728 52 T HA 0.654 5.003 4.350 -0.001 0.000 0.296 52 T C 0.601 175.229 174.700 -0.120 0.000 0.940 52 T CA 0.698 62.760 62.100 -0.063 0.000 1.013 52 T CB 1.095 69.959 68.868 -0.007 0.000 0.912 52 T HN 1.421 nan 8.240 nan 0.000 0.484 53 A N 3.941 126.585 122.820 -0.294 0.000 2.327 53 A HA 0.688 5.008 4.320 -0.001 0.000 0.283 53 A C -1.028 176.151 177.584 -0.675 0.000 1.127 53 A CA -0.489 51.262 52.037 -0.477 0.000 0.810 53 A CB 0.258 19.036 19.000 -0.370 0.000 1.066 53 A HN 0.845 nan 8.150 nan 0.000 0.492 54 Y N 1.171 120.928 120.300 -0.905 0.000 2.425 54 Y HA 0.515 5.064 4.550 -0.001 0.000 0.344 54 Y C -0.205 175.283 175.900 -0.687 0.000 0.969 54 Y CA -0.814 56.806 58.100 -0.800 0.000 1.052 54 Y CB 2.205 39.929 38.460 -1.226 0.000 1.215 54 Y HN 0.533 nan 8.280 nan 0.000 0.451 55 L N 6.064 127.198 121.223 -0.148 0.000 2.345 55 L HA 0.567 4.907 4.340 -0.001 0.000 0.274 55 L C -1.482 175.430 176.870 0.070 0.000 0.999 55 L CA -0.409 54.452 54.840 0.036 0.000 0.849 55 L CB 0.592 42.707 42.059 0.093 0.000 1.220 55 L HN 0.685 nan 8.230 nan 0.000 0.422 56 I N 5.111 125.699 120.570 0.030 0.000 2.339 56 I HA 0.695 4.864 4.170 -0.001 0.000 0.290 56 I C 0.780 176.944 176.117 0.079 0.000 0.994 56 I CA -0.077 61.210 61.300 -0.021 0.000 1.191 56 I CB 1.538 39.253 38.000 -0.476 0.000 1.343 56 I HN 0.807 nan 8.210 nan 0.000 0.458 57 G N 4.499 113.403 108.800 0.173 0.000 2.337 57 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.197 57 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.197 57 G C -0.950 174.090 174.900 0.235 0.000 1.238 57 G CA -0.677 44.560 45.100 0.229 0.000 1.119 57 G HN 0.577 nan 8.290 nan 0.000 0.514 58 S N -0.890 114.927 115.700 0.195 0.000 2.595 58 S HA 0.789 5.258 4.470 -0.001 0.000 0.281 58 S C -0.507 174.094 174.600 0.001 0.000 1.117 58 S CA -0.687 57.587 58.200 0.124 0.000 0.873 58 S CB 1.786 65.108 63.200 0.204 0.000 1.108 58 S HN 0.729 nan 8.310 nan 0.000 0.477 59 L N 1.969 123.188 121.223 -0.008 0.000 2.325 59 L HA 0.469 4.809 4.340 -0.001 0.000 0.278 59 L C -0.289 176.663 176.870 0.135 0.000 1.023 59 L CA -0.659 54.140 54.840 -0.069 0.000 0.811 59 L CB 0.809 42.806 42.059 -0.105 0.000 1.249 59 L HN 0.747 nan 8.230 nan 0.000 0.431 60 Y N 0.274 120.580 120.300 0.010 0.000 2.507 60 Y HA 0.052 4.602 4.550 -0.001 0.000 0.263 60 Y C 1.261 177.160 175.900 -0.002 0.000 1.093 60 Y CA -0.532 57.558 58.100 -0.017 0.000 1.285 60 Y CB -0.106 38.316 38.460 -0.063 0.000 1.115 60 Y HN 0.652 nan 8.280 nan 0.000 0.533 61 N N 0.030 118.830 118.700 0.167 0.000 2.598 61 N HA 0.137 4.877 4.740 -0.001 0.000 0.309 61 N C 0.832 176.425 175.510 0.139 0.000 1.645 61 N CA -0.226 52.907 53.050 0.139 0.000 0.936 61 N CB -0.187 38.365 38.487 0.109 0.000 1.323 61 N HN 0.063 nan 8.380 nan 0.000 0.497 62 R N -0.272 120.274 120.500 0.078 0.000 2.096 62 R HA -0.161 4.179 4.340 -0.001 0.000 0.240 62 R C 1.747 178.066 176.300 0.033 0.000 1.139 62 R CA 2.189 58.304 56.100 0.025 0.000 0.952 62 R CB -0.541 29.756 30.300 -0.004 0.000 0.854 62 R HN 0.435 nan 8.270 nan 0.000 0.436 63 T N 0.021 114.612 114.554 0.061 0.000 2.699 63 T HA -0.241 4.108 4.350 -0.001 0.000 0.268 63 T C 1.547 176.289 174.700 0.071 0.000 1.036 63 T CA 1.770 63.905 62.100 0.059 0.000 1.147 63 T CB -0.269 68.642 68.868 0.071 0.000 0.862 63 T HN 0.332 nan 8.240 nan 0.000 0.446 64 F N 1.019 120.966 119.950 -0.007 0.000 2.128 64 F HA 0.181 4.708 4.527 -0.000 0.000 0.295 64 F C 1.934 177.712 175.800 -0.037 0.000 1.100 64 F CA 1.103 59.100 58.000 -0.005 0.000 1.260 64 F CB -0.341 38.669 39.000 0.016 0.000 1.009 64 F HN 0.150 nan 8.300 nan 0.000 0.476 65 L N 0.072 121.308 121.223 0.022 0.000 2.083 65 L HA -0.231 4.108 4.340 -0.001 0.000 0.209 65 L C 2.417 179.128 176.870 -0.265 0.000 1.083 65 L CA 0.526 55.294 54.840 -0.120 0.000 0.752 65 L CB -0.712 41.342 42.059 -0.008 0.000 0.899 65 L HN 0.206 nan 8.230 nan 0.000 0.433 66 I N 0.276 120.712 120.570 -0.224 0.000 2.202 66 I HA -0.159 4.011 4.170 -0.001 0.000 0.242 66 I C 2.678 178.556 176.117 -0.399 0.000 1.091 66 I CA 1.724 62.838 61.300 -0.310 0.000 1.368 66 I CB -1.897 35.990 38.000 -0.188 0.000 1.058 66 I HN 0.237 nan 8.210 nan 0.000 0.410 67 G N 0.917 109.541 108.800 -0.294 0.000 2.448 67 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.219 67 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.219 67 G C 1.728 176.405 174.900 -0.372 0.000 1.127 67 G CA 0.700 45.639 45.100 -0.268 0.000 0.766 67 G HN 0.335 nan 8.290 nan 0.000 0.552 68 L N 1.105 122.036 121.223 -0.487 0.000 2.034 68 L HA 0.369 4.708 4.340 -0.001 0.000 0.203 68 L C 2.953 179.476 176.870 -0.579 0.000 1.074 68 L CA 2.165 56.747 54.840 -0.429 0.000 0.748 68 L CB -0.940 40.871 42.059 -0.414 0.000 0.905 68 L HN 0.150 nan 8.230 nan 0.000 0.439 69 A N -0.294 122.080 122.820 -0.742 0.000 2.019 69 A HA -0.052 4.267 4.320 -0.001 0.000 0.219 69 A C 2.219 178.953 177.584 -1.417 0.000 1.164 69 A CA 1.368 52.593 52.037 -1.353 0.000 0.644 69 A CB -1.601 16.948 19.000 -0.752 0.000 0.805 69 A HN 0.587 nan 8.150 nan 0.000 0.449 70 G N -0.879 107.381 108.800 -0.901 0.000 2.559 70 G HA2 0.026 3.985 3.960 -0.001 0.000 0.216 70 G HA3 0.026 3.985 3.960 -0.001 0.000 0.216 70 G C 1.300 175.928 174.900 -0.453 0.000 1.126 70 G CA 0.910 45.569 45.100 -0.735 0.000 0.778 70 G HN 0.307 nan 8.290 nan 0.000 0.543 71 V N -0.341 119.312 119.914 -0.435 0.000 2.490 71 V HA -0.110 4.010 4.120 -0.001 0.000 0.250 71 V C 2.083 178.179 176.094 0.002 0.000 1.061 71 V CA 2.054 64.276 62.300 -0.130 0.000 1.064 71 V CB -0.451 31.389 31.823 0.028 0.000 0.670 71 V HN 0.907 nan 8.190 nan 0.000 0.461 72 W N -0.370 120.888 121.300 -0.071 0.000 2.592 72 W HA 0.547 5.206 4.660 -0.001 0.000 0.306 72 W C 0.264 176.750 176.519 -0.054 0.000 0.991 72 W CA -0.025 57.288 57.345 -0.054 0.000 1.430 72 W CB 0.397 29.824 29.460 -0.055 0.000 1.017 72 W HN 0.084 nan 8.180 nan 0.000 0.557 73 E N 0.645 120.537 120.200 -0.513 0.000 2.281 73 E HA 0.418 4.768 4.350 -0.001 0.000 0.266 73 E C 1.037 177.447 176.600 -0.317 0.000 0.893 73 E CA -0.114 56.115 56.400 -0.285 0.000 0.798 73 E CB 1.318 30.878 29.700 -0.234 0.000 1.245 73 E HN 0.105 nan 8.360 nan 0.000 0.410 74 G N 3.416 112.142 108.800 -0.123 0.000 2.432 74 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.219 74 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.219 74 G C 0.762 175.629 174.900 -0.055 0.000 1.135 74 G CA 0.540 45.627 45.100 -0.022 0.000 0.767 74 G HN 0.635 nan 8.290 nan 0.000 0.550 75 E N 0.643 120.787 120.200 -0.093 0.000 2.463 75 E HA 0.005 4.355 4.350 -0.001 0.000 0.201 75 E C 2.668 179.165 176.600 -0.172 0.000 1.045 75 E CA 0.313 56.663 56.400 -0.083 0.000 0.872 75 E CB -0.087 29.578 29.700 -0.058 0.000 0.797 75 E HN 0.465 nan 8.360 nan 0.000 0.538 76 A N 0.585 123.190 122.820 -0.357 0.000 2.019 76 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 76 A C 1.450 178.790 177.584 -0.406 0.000 1.164 76 A CA 0.975 52.742 52.037 -0.450 0.000 0.644 76 A CB -0.562 18.027 19.000 -0.684 0.000 0.805 76 A HN 0.259 nan 8.150 nan 0.000 0.449 77 Y N -0.696 119.522 120.300 -0.137 0.000 2.497 77 Y HA 0.091 4.640 4.550 -0.001 0.000 0.292 77 Y C 1.413 177.258 175.900 -0.092 0.000 1.137 77 Y CA 0.787 58.821 58.100 -0.111 0.000 1.285 77 Y CB -0.139 38.261 38.460 -0.100 0.000 0.991 77 Y HN 0.192 nan 8.280 nan 0.000 0.556 78 L N -1.125 120.108 121.223 0.018 0.000 3.229 78 L HA 0.460 4.799 4.340 -0.001 0.000 0.286 78 L C 0.539 177.380 176.870 -0.049 0.000 1.239 78 L CA -0.451 54.384 54.840 -0.009 0.000 1.035 78 L CB 0.095 42.154 42.059 -0.001 0.000 1.408 78 L HN -0.056 nan 8.230 nan 0.000 0.593 79 A N 1.131 123.904 122.820 -0.078 0.000 2.388 79 A HA 0.410 4.730 4.320 -0.001 0.000 0.257 79 A C 0.297 177.827 177.584 -0.090 0.000 1.095 79 A CA -0.367 51.616 52.037 -0.089 0.000 0.791 79 A CB 0.194 19.127 19.000 -0.112 0.000 1.029 79 A HN 0.482 nan 8.150 nan 0.000 0.489 80 N N 1.500 120.145 118.700 -0.092 0.000 2.317 80 N HA 0.056 4.795 4.740 -0.001 0.000 0.245 80 N C 0.120 175.569 175.510 -0.102 0.000 1.294 80 N CA -0.053 52.938 53.050 -0.100 0.000 0.924 80 N CB 0.291 38.708 38.487 -0.116 0.000 1.186 80 N HN 0.500 nan 8.380 nan 0.000 0.495 81 D N -0.565 119.773 120.400 -0.102 0.000 2.133 81 D HA -0.191 4.449 4.640 -0.001 0.000 0.195 81 D C 1.722 177.970 176.300 -0.087 0.000 0.997 81 D CA 2.118 56.057 54.000 -0.102 0.000 0.840 81 D CB -0.707 40.040 40.800 -0.089 0.000 0.947 81 D HN 0.702 nan 8.370 nan 0.000 0.452 82 A N 0.972 123.756 122.820 -0.060 0.000 1.898 82 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 82 A C 2.077 179.678 177.584 0.029 0.000 1.181 82 A CA 1.408 53.461 52.037 0.027 0.000 0.620 82 A CB -0.494 18.463 19.000 -0.072 0.000 0.819 82 A HN 0.216 nan 8.150 nan 0.000 0.442 83 E N -0.626 119.548 120.200 -0.044 0.000 2.150 83 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 83 E C 1.900 178.469 176.600 -0.052 0.000 0.985 83 E CA 1.077 57.452 56.400 -0.041 0.000 0.814 83 E CB -0.248 29.413 29.700 -0.064 0.000 0.752 83 E HN 0.506 nan 8.360 nan 0.000 0.466 84 L N 0.994 122.163 121.223 -0.090 0.000 2.017 84 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 84 L C 2.001 178.794 176.870 -0.129 0.000 1.073 84 L CA 1.625 56.392 54.840 -0.123 0.000 0.745 84 L CB -0.312 41.659 42.059 -0.146 0.000 0.894 84 L HN 0.113 nan 8.230 nan 0.000 0.432 85 L N -0.646 120.461 121.223 -0.193 0.000 2.201 85 L HA -0.124 4.216 4.340 -0.001 0.000 0.212 85 L C 2.634 179.332 176.870 -0.286 0.000 1.105 85 L CA 0.935 55.564 54.840 -0.351 0.000 0.775 85 L CB -1.015 40.634 42.059 -0.683 0.000 0.913 85 L HN 0.400 nan 8.230 nan 0.000 0.440 86 A N 0.428 123.189 122.820 -0.099 0.000 1.933 86 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 86 A C 2.272 179.938 177.584 0.136 0.000 1.175 86 A CA 1.229 53.310 52.037 0.073 0.000 0.628 86 A CB -0.557 18.511 19.000 0.114 0.000 0.814 86 A HN 0.332 nan 8.150 nan 0.000 0.444 87 L N -0.590 120.695 121.223 0.103 0.000 2.017 87 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 87 L C 2.583 179.627 176.870 0.290 0.000 1.073 87 L CA 1.256 56.221 54.840 0.209 0.000 0.745 87 L CB -0.541 41.617 42.059 0.165 0.000 0.894 87 L HN 0.396 nan 8.230 nan 0.000 0.432 88 L N -1.650 119.694 121.223 0.202 0.000 2.046 88 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 88 L C 2.542 179.466 176.870 0.089 0.000 1.077 88 L CA 1.206 56.156 54.840 0.184 0.000 0.747 88 L CB -0.643 41.462 42.059 0.077 0.000 0.896 88 L HN 0.142 nan 8.230 nan 0.000 0.432 89 F N 1.580 121.490 119.950 -0.067 0.000 2.043 89 F HA -0.319 4.208 4.527 -0.001 0.000 0.297 89 F C 2.851 178.635 175.800 -0.027 0.000 1.121 89 F CA 2.418 60.385 58.000 -0.054 0.000 1.199 89 F CB -0.459 38.519 39.000 -0.037 0.000 0.968 89 F HN 0.168 nan 8.300 nan 0.000 0.478 90 T N -1.689 112.973 114.554 0.180 0.000 2.867 90 T HA -0.167 4.183 4.350 -0.001 0.000 0.268 90 T C 1.961 176.584 174.700 -0.128 0.000 1.057 90 T CA 1.282 63.406 62.100 0.040 0.000 1.136 90 T CB -0.397 68.544 68.868 0.122 0.000 0.874 90 T HN 0.258 nan 8.240 nan 0.000 0.466 91 R N 1.300 121.693 120.500 -0.177 0.000 2.066 91 R HA 0.300 4.639 4.340 -0.001 0.000 0.224 91 R C 1.828 177.887 176.300 -0.401 0.000 1.122 91 R CA 1.191 57.033 56.100 -0.430 0.000 0.974 91 R CB -0.610 29.169 30.300 -0.868 0.000 0.871 91 R HN 0.498 nan 8.270 nan 0.000 0.435 92 L N -0.090 120.960 121.223 -0.287 0.000 2.906 92 L HA 0.464 4.804 4.340 -0.001 0.000 0.255 92 L C 0.377 177.121 176.870 -0.209 0.000 1.166 92 L CA -0.179 54.526 54.840 -0.224 0.000 0.977 92 L CB 0.595 42.569 42.059 -0.142 0.000 1.313 92 L HN 0.482 nan 8.230 nan 0.000 0.549 93 G N 0.247 108.869 108.800 -0.297 0.000 2.781 93 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.683 93 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.683 93 G C 0.715 175.395 174.900 -0.366 0.000 1.390 93 G CA -0.243 44.618 45.100 -0.398 0.000 0.850 93 G HN 0.145 nan 8.290 nan 0.000 0.557 94 A N 0.133 122.711 122.820 -0.402 0.000 1.948 94 A HA -0.151 4.169 4.320 -0.001 0.000 0.220 94 A C 2.264 179.847 177.584 -0.002 0.000 1.177 94 A CA 2.572 54.559 52.037 -0.083 0.000 0.636 94 A CB -0.531 18.506 19.000 0.061 0.000 0.815 94 A HN 0.961 nan 8.150 nan 0.000 0.449 95 N N 0.454 119.124 118.700 -0.050 0.000 2.258 95 N HA -0.122 4.618 4.740 -0.001 0.000 0.187 95 N C 1.655 177.159 175.510 -0.010 0.000 1.012 95 N CA 1.429 54.462 53.050 -0.028 0.000 0.870 95 N CB -0.519 37.940 38.487 -0.048 0.000 0.977 95 N HN 0.516 nan 8.380 nan 0.000 0.434 96 A N -0.072 122.737 122.820 -0.018 0.000 2.070 96 A HA -0.048 4.272 4.320 -0.001 0.000 0.220 96 A C 1.862 179.470 177.584 0.040 0.000 1.159 96 A CA 0.818 52.862 52.037 0.012 0.000 0.656 96 A CB -0.402 18.599 19.000 0.003 0.000 0.800 96 A HN 0.161 nan 8.150 nan 0.000 0.453 97 L N -0.873 120.380 121.223 0.050 0.000 2.465 97 L HA 0.026 4.366 4.340 -0.001 0.000 0.224 97 L C 2.616 179.579 176.870 0.155 0.000 1.145 97 L CA 1.253 56.137 54.840 0.074 0.000 0.834 97 L CB -0.506 41.615 42.059 0.103 0.000 0.944 97 L HN 0.377 nan 8.230 nan 0.000 0.451 98 A N -1.113 121.762 122.820 0.092 0.000 2.168 98 A HA 0.003 4.323 4.320 -0.001 0.000 0.215 98 A C 2.062 179.634 177.584 -0.021 0.000 1.152 98 A CA 0.701 52.760 52.037 0.037 0.000 0.716 98 A CB -0.513 18.457 19.000 -0.049 0.000 0.794 98 A HN 0.398 nan 8.150 nan 0.000 0.465 99 L N -0.776 120.485 121.223 0.063 0.000 2.492 99 L HA 0.122 4.462 4.340 -0.001 0.000 0.223 99 L C 1.390 178.399 176.870 0.231 0.000 1.132 99 L CA 0.086 54.999 54.840 0.122 0.000 0.850 99 L CB -0.396 41.797 42.059 0.224 0.000 0.966 99 L HN 0.390 nan 8.230 nan 0.000 0.454 100 A N 0.590 123.547 122.820 0.229 0.000 2.316 100 A HA 0.466 4.785 4.320 -0.001 0.000 0.284 100 A C -0.155 177.673 177.584 0.407 0.000 1.115 100 A CA -0.263 51.890 52.037 0.194 0.000 0.812 100 A CB 0.409 19.337 19.000 -0.121 0.000 1.064 100 A HN 0.236 nan 8.150 nan 0.000 0.489 101 E N -0.058 120.276 120.200 0.223 0.000 2.256 101 E HA 0.652 5.001 4.350 -0.001 0.000 0.267 101 E C -0.079 176.497 176.600 -0.040 0.000 0.892 101 E CA -0.367 56.127 56.400 0.156 0.000 0.775 101 E CB 2.221 31.923 29.700 0.002 0.000 1.207 101 E HN 1.301 nan 8.360 nan 0.000 0.420 102 G N 1.836 110.462 108.800 -0.290 0.000 2.339 102 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.381 102 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.381 102 G C -1.508 173.193 174.900 -0.331 0.000 1.400 102 G CA -0.832 43.520 45.100 -1.246 0.000 1.002 102 G HN 0.653 nan 8.290 nan 0.000 0.633 103 D N -0.210 119.979 120.400 -0.353 0.000 2.713 103 D HA 0.449 5.089 4.640 -0.001 0.000 0.229 103 D C 0.238 176.619 176.300 0.135 0.000 1.136 103 D CA -0.394 53.634 54.000 0.048 0.000 1.010 103 D CB -0.660 40.209 40.800 0.114 0.000 1.084 103 D HN 0.604 nan 8.370 nan 0.000 0.495 104 F N -0.893 119.093 119.950 0.059 0.000 2.594 104 F HA 0.724 5.251 4.527 -0.000 0.000 0.335 104 F C -1.013 174.887 175.800 0.167 0.000 1.058 104 F CA -1.713 56.341 58.000 0.090 0.000 0.981 104 F CB 1.611 40.639 39.000 0.046 0.000 1.289 104 F HN 0.100 nan 8.300 nan 0.000 0.490 105 C N 3.552 123.063 119.300 0.351 0.000 2.599 105 C HA 0.634 5.094 4.460 -0.001 0.000 0.354 105 C C -1.579 173.690 174.990 0.466 0.000 1.092 105 C CA -0.822 58.390 59.018 0.322 0.000 1.280 105 C CB -0.225 27.688 27.740 0.288 0.000 1.829 105 C HN 0.835 nan 8.230 nan 0.000 0.454 106 F N 7.571 127.764 119.950 0.405 0.000 2.443 106 F HA 0.874 5.400 4.527 -0.001 0.000 0.335 106 F C -0.637 175.321 175.800 0.264 0.000 1.104 106 F CA -0.607 57.532 58.000 0.232 0.000 1.013 106 F CB 1.040 40.173 39.000 0.222 0.000 1.136 106 F HN 0.651 nan 8.300 nan 0.000 0.470 107 F N 5.231 124.865 119.950 -0.527 0.000 2.641 107 F HA 0.701 5.227 4.527 -0.001 0.000 0.308 107 F C -2.146 173.370 175.800 -0.474 0.000 1.105 107 F CA -1.807 55.989 58.000 -0.341 0.000 0.964 107 F CB 0.785 39.738 39.000 -0.078 0.000 1.294 107 F HN 0.254 nan 8.300 nan 0.000 0.442 108 I N 2.338 122.880 120.570 -0.047 0.000 2.378 108 I HA 0.283 4.453 4.170 -0.001 0.000 0.291 108 I C -1.089 175.126 176.117 0.164 0.000 0.992 108 I CA -0.602 60.659 61.300 -0.064 0.000 1.154 108 I CB 1.637 39.547 38.000 -0.151 0.000 1.315 108 I HN 0.596 nan 8.210 nan 0.000 0.448 109 D N 7.002 127.527 120.400 0.210 0.000 2.380 109 D HA 0.215 4.854 4.640 -0.001 0.000 0.230 109 D C -0.407 175.961 176.300 0.113 0.000 1.154 109 D CA -0.089 54.027 54.000 0.193 0.000 0.859 109 D CB 0.703 41.648 40.800 0.242 0.000 1.045 109 D HN 0.440 nan 8.370 nan 0.000 0.495 110 E N 3.744 123.999 120.200 0.091 0.000 2.248 110 E HA 0.249 4.599 4.350 -0.001 0.000 0.272 110 E C -1.686 174.951 176.600 0.061 0.000 1.008 110 E CA -1.925 54.517 56.400 0.070 0.000 0.856 110 E CB 1.324 31.068 29.700 0.073 0.000 1.120 110 E HN 0.217 nan 8.360 nan 0.000 0.397 111 P HA -0.231 nan 4.420 nan 0.000 0.216 111 P C 0.716 178.040 177.300 0.040 0.000 1.153 111 P CA 1.254 64.376 63.100 0.036 0.000 0.858 111 P CB 0.047 31.765 31.700 0.030 0.000 0.789 112 N N -1.081 117.649 118.700 0.051 0.000 2.417 112 N HA -0.158 4.581 4.740 -0.001 0.000 0.187 112 N C 1.604 177.159 175.510 0.074 0.000 1.027 112 N CA 1.812 54.897 53.050 0.058 0.000 0.891 112 N CB -0.986 37.539 38.487 0.064 0.000 0.956 112 N HN 0.312 nan 8.380 nan 0.000 0.442 113 G N 0.759 109.607 108.800 0.081 0.000 2.279 113 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.223 113 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.223 113 G C -0.145 174.849 174.900 0.157 0.000 1.015 113 G CA 0.226 45.398 45.100 0.120 0.000 0.621 113 G HN 0.683 nan 8.290 nan 0.000 0.506 114 E N 1.934 122.209 120.200 0.126 0.000 2.313 114 E HA 0.574 4.924 4.350 -0.001 0.000 0.276 114 E C 0.502 177.160 176.600 0.097 0.000 1.031 114 E CA -0.715 55.754 56.400 0.115 0.000 0.857 114 E CB 1.034 30.797 29.700 0.105 0.000 1.040 114 E HN 0.843 nan 8.360 nan 0.000 0.408 115 L N 0.233 121.503 121.223 0.078 0.000 2.325 115 L HA 0.584 4.923 4.340 -0.001 0.000 0.278 115 L C -0.465 176.464 176.870 0.098 0.000 1.023 115 L CA -1.052 53.837 54.840 0.082 0.000 0.811 115 L CB 1.803 43.875 42.059 0.021 0.000 1.249 115 L HN 0.351 nan 8.230 nan 0.000 0.431 116 T N 2.921 117.555 114.554 0.133 0.000 2.743 116 T HA 0.459 4.809 4.350 -0.001 0.000 0.292 116 T C -0.297 174.531 174.700 0.214 0.000 0.972 116 T CA -0.323 61.876 62.100 0.165 0.000 0.967 116 T CB 1.397 70.367 68.868 0.171 0.000 0.926 116 T HN 0.560 nan 8.240 nan 0.000 0.459 117 V N 5.297 125.367 119.914 0.260 0.000 2.715 117 V HA 0.764 4.883 4.120 -0.001 0.000 0.310 117 V C -1.207 175.140 176.094 0.422 0.000 1.054 117 V CA -0.979 61.527 62.300 0.343 0.000 0.928 117 V CB 1.595 33.578 31.823 0.267 0.000 1.007 117 V HN 0.853 nan 8.190 nan 0.000 0.437 118 I N 4.949 125.803 120.570 0.474 0.000 2.499 118 I HA 0.415 4.585 4.170 -0.001 0.000 0.288 118 I C -0.021 176.332 176.117 0.393 0.000 1.048 118 I CA -0.462 61.109 61.300 0.451 0.000 1.062 118 I CB 2.505 40.797 38.000 0.486 0.000 1.238 118 I HN 0.848 nan 8.210 nan 0.000 0.426 119 T N 1.494 116.230 114.554 0.303 0.000 2.882 119 T HA 0.448 4.797 4.350 -0.001 0.000 0.287 119 T C -0.061 174.592 174.700 -0.078 0.000 0.992 119 T CA -0.923 61.248 62.100 0.117 0.000 1.076 119 T CB 1.303 70.256 68.868 0.142 0.000 0.961 119 T HN 0.572 nan 8.240 nan 0.000 0.490 120 E N 1.586 121.516 120.200 -0.450 0.000 2.438 120 E HA 0.212 4.562 4.350 -0.001 0.000 0.261 120 E C 0.390 176.903 176.600 -0.145 0.000 1.103 120 E CA -0.381 55.653 56.400 -0.610 0.000 0.959 120 E CB 0.153 29.371 29.700 -0.803 0.000 0.958 120 E HN 0.647 nan 8.360 nan 0.000 0.447 121 S N 1.105 116.797 115.700 -0.013 0.000 2.537 121 S HA 0.326 4.796 4.470 -0.001 0.000 0.246 121 S C 0.416 175.002 174.600 -0.024 0.000 1.036 121 S CA -0.805 57.395 58.200 -0.000 0.000 1.041 121 S CB 0.043 63.236 63.200 -0.011 0.000 0.799 121 S HN 0.461 nan 8.310 nan 0.000 0.456 122 R N -0.060 120.366 120.500 -0.123 0.000 2.635 122 R HA 0.349 4.689 4.340 -0.001 0.000 0.241 122 R C 1.290 177.397 176.300 -0.321 0.000 0.941 122 R CA 0.796 56.735 56.100 -0.268 0.000 1.014 122 R CB 0.364 30.328 30.300 -0.561 0.000 1.517 122 R HN 0.615 nan 8.270 nan 0.000 0.594 123 G N 0.552 109.202 108.800 -0.250 0.000 2.175 123 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.182 123 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.182 123 G C 0.731 175.626 174.900 -0.007 0.000 1.003 123 G CA -0.058 44.987 45.100 -0.092 0.000 0.666 123 G HN 0.250 nan 8.290 nan 0.000 0.506 124 F N 1.069 121.067 119.950 0.080 0.000 2.186 124 F HA 0.245 4.771 4.527 -0.001 0.000 0.299 124 F C 1.926 177.753 175.800 0.044 0.000 1.090 124 F CA 1.399 59.452 58.000 0.088 0.000 1.307 124 F CB 0.355 39.392 39.000 0.061 0.000 1.019 124 F HN 0.282 nan 8.300 nan 0.000 0.489 125 S N 0.470 116.288 115.700 0.197 0.000 2.252 125 S HA 0.350 4.819 4.470 -0.001 0.000 0.187 125 S C -2.678 172.018 174.600 0.159 0.000 1.587 125 S CA -1.651 56.657 58.200 0.180 0.000 1.215 125 S CB 0.139 63.445 63.200 0.177 0.000 1.085 125 S HN -0.251 nan 8.310 nan 0.000 0.466 126 P HA 0.229 nan 4.420 nan 0.000 0.271 126 P C -1.052 176.344 177.300 0.159 0.000 1.226 126 P CA -0.255 62.939 63.100 0.156 0.000 0.765 126 P CB 0.986 32.820 31.700 0.223 0.000 0.835 127 V N 4.801 124.751 119.914 0.060 0.000 2.495 127 V HA 0.352 4.471 4.120 -0.001 0.000 0.298 127 V C -0.165 175.876 176.094 -0.090 0.000 1.031 127 V CA -0.461 61.855 62.300 0.027 0.000 0.871 127 V CB 1.323 33.167 31.823 0.034 0.000 0.988 127 V HN 0.571 nan 8.190 nan 0.000 0.432 128 H N 1.638 120.665 119.070 -0.071 0.000 2.621 128 H HA 0.717 5.272 4.556 -0.001 0.000 0.360 128 H C -0.757 174.514 175.328 -0.094 0.000 1.163 128 H CA -0.527 55.474 56.048 -0.078 0.000 1.194 128 H CB 2.164 31.886 29.762 -0.067 0.000 1.649 128 H HN 0.408 nan 8.280 nan 0.000 0.532 129 V N 3.585 123.511 119.914 0.020 0.000 2.350 129 V HA 0.251 4.371 4.120 -0.001 0.000 0.285 129 V C -0.664 175.431 176.094 0.002 0.000 1.014 129 V CA -0.607 61.685 62.300 -0.013 0.000 0.831 129 V CB 1.281 33.058 31.823 -0.076 0.000 1.000 129 V HN 0.458 nan 8.190 nan 0.000 0.433 130 V N 4.828 124.759 119.914 0.029 0.000 2.398 130 V HA 0.384 4.504 4.120 -0.001 0.000 0.286 130 V C -0.003 176.101 176.094 0.017 0.000 1.026 130 V CA -0.674 61.610 62.300 -0.027 0.000 0.868 130 V CB 1.812 33.581 31.823 -0.090 0.000 0.982 130 V HN 0.876 nan 8.190 nan 0.000 0.443 131 Q N 3.653 123.403 119.800 -0.083 0.000 2.571 131 Q HA 0.522 4.862 4.340 -0.001 0.000 0.222 131 Q C 0.292 176.216 176.000 -0.127 0.000 1.167 131 Q CA 0.220 55.985 55.803 -0.064 0.000 0.966 131 Q CB 0.726 29.401 28.738 -0.103 0.000 1.274 131 Q HN 0.894 nan 8.270 nan 0.000 0.552 132 G N 1.936 110.751 108.800 0.025 0.000 3.075 132 G HA2 0.114 4.074 3.960 -0.001 0.000 0.156 132 G HA3 0.114 4.074 3.960 -0.001 0.000 0.156 132 G C 0.220 175.160 174.900 0.066 0.000 1.403 132 G CA -0.376 44.714 45.100 -0.016 0.000 1.033 132 G HN 0.547 nan 8.290 nan 0.000 0.589 133 K N -0.078 120.400 120.400 0.131 0.000 2.211 133 K HA 0.042 4.362 4.320 -0.001 0.000 0.203 133 K C 0.459 177.129 176.600 0.116 0.000 1.050 133 K CA 0.996 57.352 56.287 0.116 0.000 0.945 133 K CB -0.031 32.543 32.500 0.124 0.000 0.732 133 K HN 0.143 nan 8.250 nan 0.000 0.451 134 K N -0.422 120.087 120.400 0.181 0.000 2.480 134 K HA 0.458 4.778 4.320 -0.001 0.000 0.258 134 K C -1.312 175.321 176.600 0.056 0.000 0.990 134 K CA -0.822 55.492 56.287 0.045 0.000 0.857 134 K CB 2.123 34.541 32.500 -0.137 0.000 1.384 134 K HN -0.088 nan 8.250 nan 0.000 0.446 135 A N 1.240 124.057 122.820 -0.005 0.000 2.409 135 A HA 0.367 4.686 4.320 -0.001 0.000 0.262 135 A C -1.431 176.088 177.584 -0.109 0.000 1.113 135 A CA 0.052 52.107 52.037 0.030 0.000 0.790 135 A CB -0.245 18.789 19.000 0.056 0.000 1.046 135 A HN 0.562 nan 8.150 nan 0.000 0.496 136 W N 1.417 122.693 121.300 -0.038 0.000 2.785 136 W HA 0.607 5.266 4.660 -0.001 0.000 0.333 136 W C -0.070 176.397 176.519 -0.086 0.000 1.062 136 W CA -0.419 56.891 57.345 -0.059 0.000 1.233 136 W CB 1.860 31.267 29.460 -0.088 0.000 1.413 136 W HN 0.633 nan 8.180 nan 0.000 0.489 137 M N 3.999 123.674 119.600 0.125 0.000 2.181 137 M HA 0.667 5.147 4.480 -0.001 0.000 0.323 137 M C -0.877 175.395 176.300 -0.046 0.000 1.004 137 M CA 0.112 55.419 55.300 0.013 0.000 0.941 137 M CB 1.589 34.160 32.600 -0.048 0.000 1.579 137 M HN 0.407 nan 8.290 nan 0.000 0.427 138 T N 1.878 116.351 114.554 -0.136 0.000 2.853 138 T HA 0.399 4.749 4.350 -0.001 0.000 0.311 138 T C -0.427 174.061 174.700 -0.353 0.000 1.307 138 T CA -0.699 61.185 62.100 -0.360 0.000 1.019 138 T CB 1.137 69.870 68.868 -0.224 0.000 1.264 138 T HN 0.847 nan 8.240 nan 0.000 0.497 139 N N 1.229 119.600 118.700 -0.548 0.000 2.238 139 N HA 0.192 4.931 4.740 -0.001 0.000 0.222 139 N C -0.414 175.050 175.510 -0.077 0.000 1.133 139 N CA -0.367 52.583 53.050 -0.168 0.000 0.854 139 N CB 0.724 39.202 38.487 -0.015 0.000 1.041 139 N HN 0.363 nan 8.380 nan 0.000 0.510 140 S N 0.434 116.004 115.700 -0.217 0.000 2.609 140 S HA 0.327 4.796 4.470 -0.001 0.000 0.250 140 S C 0.653 175.079 174.600 -0.291 0.000 1.112 140 S CA -0.702 57.337 58.200 -0.269 0.000 1.102 140 S CB -0.079 62.872 63.200 -0.415 0.000 1.124 140 S HN 0.126 nan 8.310 nan 0.000 0.460 141 L N 4.605 125.673 121.223 -0.258 0.000 2.079 141 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 141 L C 2.700 179.388 176.870 -0.303 0.000 1.081 141 L CA 1.832 56.497 54.840 -0.292 0.000 0.752 141 L CB -0.486 41.399 42.059 -0.290 0.000 0.896 141 L HN 0.747 nan 8.230 nan 0.000 0.433 142 K N 0.670 120.890 120.400 -0.301 0.000 2.160 142 K HA -0.198 4.121 4.320 -0.001 0.000 0.206 142 K C 1.952 178.368 176.600 -0.307 0.000 1.047 142 K CA 1.496 57.629 56.287 -0.257 0.000 0.930 142 K CB -0.587 31.761 32.500 -0.252 0.000 0.720 142 K HN 0.314 nan 8.250 nan 0.000 0.450 143 L N 1.381 122.327 121.223 -0.462 0.000 2.127 143 L HA -0.160 4.179 4.340 -0.001 0.000 0.211 143 L C 2.443 179.008 176.870 -0.509 0.000 1.089 143 L CA 0.769 55.306 54.840 -0.504 0.000 0.757 143 L CB -0.414 41.367 42.059 -0.464 0.000 0.899 143 L HN 0.037 nan 8.230 nan 0.000 0.434 144 V N -1.069 118.504 119.914 -0.568 0.000 2.548 144 V HA -0.213 3.906 4.120 -0.001 0.000 0.249 144 V C 2.479 178.225 176.094 -0.580 0.000 1.055 144 V CA 1.998 63.795 62.300 -0.840 0.000 1.065 144 V CB -0.459 30.916 31.823 -0.745 0.000 0.681 144 V HN 0.439 nan 8.190 nan 0.000 0.462 145 T N 0.495 114.841 114.554 -0.346 0.000 2.777 145 T HA -0.094 4.256 4.350 -0.001 0.000 0.266 145 T C 2.061 176.666 174.700 -0.158 0.000 1.040 145 T CA 1.538 63.518 62.100 -0.200 0.000 1.141 145 T CB -0.329 68.482 68.868 -0.096 0.000 0.868 145 T HN 0.547 nan 8.240 nan 0.000 0.444 146 A N 0.995 123.743 122.820 -0.120 0.000 2.019 146 A HA 0.186 4.506 4.320 -0.001 0.000 0.219 146 A C 2.453 179.956 177.584 -0.136 0.000 1.164 146 A CA 1.752 53.762 52.037 -0.044 0.000 0.644 146 A CB -0.705 18.394 19.000 0.166 0.000 0.805 146 A HN 0.508 nan 8.150 nan 0.000 0.449 147 A N -0.686 121.965 122.820 -0.281 0.000 1.903 147 A HA 0.053 4.373 4.320 -0.001 0.000 0.213 147 A C 1.777 179.266 177.584 -0.159 0.000 1.185 147 A CA 1.255 53.125 52.037 -0.277 0.000 0.628 147 A CB -0.091 18.520 19.000 -0.647 0.000 0.830 147 A HN 0.536 nan 8.150 nan 0.000 0.446 148 E N -1.630 118.446 120.200 -0.206 0.000 2.539 148 E HA 0.406 4.756 4.350 -0.001 0.000 0.215 148 E C 0.549 177.113 176.600 -0.059 0.000 0.965 148 E CA 0.236 56.584 56.400 -0.088 0.000 1.019 148 E CB 0.880 30.534 29.700 -0.077 0.000 1.059 148 E HN 0.624 nan 8.360 nan 0.000 0.496 149 G N 1.786 110.540 108.800 -0.076 0.000 2.371 149 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.663 149 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.663 149 G C -0.077 174.807 174.900 -0.025 0.000 1.311 149 G CA -0.246 44.832 45.100 -0.037 0.000 0.985 149 G HN 0.091 nan 8.290 nan 0.000 0.566 150 E N -0.614 119.586 120.200 -0.001 0.000 2.338 150 E HA 0.046 4.395 4.350 -0.001 0.000 0.197 150 E C 1.931 178.564 176.600 0.055 0.000 1.007 150 E CA 1.480 57.892 56.400 0.020 0.000 0.849 150 E CB -0.402 29.307 29.700 0.015 0.000 0.774 150 E HN 0.880 nan 8.360 nan 0.000 0.506 151 G N -0.462 108.375 108.800 0.061 0.000 3.393 151 G HA2 0.248 4.208 3.960 -0.001 0.000 0.255 151 G HA3 0.248 4.208 3.960 -0.001 0.000 0.255 151 G C 1.195 176.204 174.900 0.182 0.000 1.097 151 G CA 0.325 45.499 45.100 0.123 0.000 0.780 151 G HN 0.279 nan 8.290 nan 0.000 0.540 152 A N 0.467 123.318 122.820 0.052 0.000 1.902 152 A HA 0.230 4.549 4.320 -0.001 0.000 0.217 152 A C 1.129 178.617 177.584 -0.161 0.000 1.181 152 A CA 0.539 52.543 52.037 -0.055 0.000 0.623 152 A CB -0.209 18.693 19.000 -0.163 0.000 0.818 152 A HN 0.334 nan 8.150 nan 0.000 0.443 153 L N -0.029 121.111 121.223 -0.139 0.000 2.264 153 L HA 0.287 4.626 4.340 -0.001 0.000 0.289 153 L C -1.067 175.665 176.870 -0.231 0.000 1.044 153 L CA -0.813 53.810 54.840 -0.360 0.000 0.807 153 L CB 0.842 42.570 42.059 -0.552 0.000 1.192 153 L HN 0.361 nan 8.230 nan 0.000 0.425 154 W N 3.560 124.576 121.300 -0.473 0.000 2.308 154 W HA 0.406 5.065 4.660 -0.001 0.000 0.311 154 W C -0.442 175.825 176.519 -0.420 0.000 1.088 154 W CA -1.279 55.874 57.345 -0.320 0.000 1.309 154 W CB 0.054 29.418 29.460 -0.160 0.000 1.229 154 W HN 0.181 nan 8.180 nan 0.000 0.427 155 F N 2.182 122.243 119.950 0.185 0.000 2.385 155 F HA 0.224 4.751 4.527 -0.001 0.000 0.336 155 F C 1.257 177.150 175.800 0.155 0.000 1.100 155 F CA -0.644 57.448 58.000 0.153 0.000 1.116 155 F CB 0.772 39.827 39.000 0.092 0.000 1.166 155 F HN 0.121 nan 8.300 nan 0.000 0.511 156 E N 1.562 121.974 120.200 0.354 0.000 2.392 156 E HA 0.055 4.405 4.350 -0.001 0.000 0.256 156 E C -0.204 176.574 176.600 0.296 0.000 1.145 156 E CA -0.302 56.244 56.400 0.242 0.000 0.929 156 E CB 0.602 30.393 29.700 0.151 0.000 0.998 156 E HN 0.451 nan 8.360 nan 0.000 0.442 157 E N 1.600 121.916 120.200 0.192 0.000 2.415 157 E HA -0.097 4.253 4.350 -0.001 0.000 0.263 157 E C 1.123 177.863 176.600 0.234 0.000 0.995 157 E CA 0.326 56.832 56.400 0.177 0.000 0.915 157 E CB 0.407 30.170 29.700 0.105 0.000 0.951 157 E HN 0.523 nan 8.360 nan 0.000 0.449 158 E N 2.743 123.120 120.200 0.294 0.000 2.204 158 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 158 E C 1.501 178.199 176.600 0.164 0.000 0.990 158 E CA 1.255 57.863 56.400 0.348 0.000 0.821 158 E CB -0.053 29.849 29.700 0.337 0.000 0.750 158 E HN 0.439 nan 8.360 nan 0.000 0.477 159 A N 1.629 124.519 122.820 0.117 0.000 1.969 159 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 159 A C 2.247 179.862 177.584 0.051 0.000 1.169 159 A CA 1.010 53.090 52.037 0.073 0.000 0.635 159 A CB -0.460 18.575 19.000 0.058 0.000 0.810 159 A HN 0.284 nan 8.150 nan 0.000 0.445 160 L N -0.974 120.283 121.223 0.056 0.000 2.209 160 L HA -0.043 4.297 4.340 -0.001 0.000 0.207 160 L C 2.298 179.168 176.870 0.000 0.000 1.094 160 L CA 0.478 55.338 54.840 0.034 0.000 0.790 160 L CB -0.318 41.773 42.059 0.053 0.000 0.932 160 L HN 0.225 nan 8.230 nan 0.000 0.447 161 V N -1.057 118.846 119.914 -0.018 0.000 2.331 161 V HA -0.181 3.939 4.120 -0.001 0.000 0.242 161 V C 1.992 178.007 176.094 -0.131 0.000 1.034 161 V CA 1.169 63.386 62.300 -0.138 0.000 1.027 161 V CB -0.220 31.332 31.823 -0.452 0.000 0.667 161 V HN 0.496 nan 8.190 nan 0.000 0.457 162 C N 1.624 120.894 119.300 -0.050 0.000 2.507 162 C HA 0.084 4.543 4.460 -0.001 0.000 0.301 162 C C 2.074 177.084 174.990 0.033 0.000 1.351 162 C CA -0.199 58.835 59.018 0.026 0.000 1.650 162 C CB -2.237 25.562 27.740 0.099 0.000 1.676 162 C HN 0.724 nan 8.230 nan 0.000 0.594 163 Q N 0.839 120.638 119.800 -0.002 0.000 1.900 163 Q HA 0.107 4.446 4.340 -0.001 0.000 0.322 163 Q C 1.136 177.132 176.000 -0.007 0.000 0.959 163 Q CA 0.085 55.889 55.803 0.002 0.000 0.866 163 Q CB -0.764 27.970 28.738 -0.007 0.000 1.196 163 Q HN 0.266 nan 8.270 nan 0.000 0.458 164 S N -0.248 115.426 115.700 -0.043 0.000 2.553 164 S HA -0.046 4.423 4.470 -0.001 0.000 0.293 164 S C 0.862 175.448 174.600 -0.024 0.000 1.296 164 S CA -0.153 58.019 58.200 -0.047 0.000 1.046 164 S CB 0.142 63.282 63.200 -0.099 0.000 0.810 164 S HN 0.429 nan 8.310 nan 0.000 0.505 165 L N 2.444 123.681 121.223 0.023 0.000 2.357 165 L HA 0.204 4.544 4.340 -0.001 0.000 0.211 165 L C 0.488 177.460 176.870 0.170 0.000 1.075 165 L CA 0.228 55.124 54.840 0.094 0.000 0.830 165 L CB -0.097 42.008 42.059 0.078 0.000 0.996 165 L HN 0.507 nan 8.230 nan 0.000 0.467 166 M N 0.922 120.584 119.600 0.102 0.000 2.157 166 M HA 0.361 4.841 4.480 -0.001 0.000 0.354 166 M C -0.482 175.831 176.300 0.022 0.000 1.170 166 M CA 0.247 55.645 55.300 0.164 0.000 1.060 166 M CB 1.293 33.958 32.600 0.108 0.000 1.615 166 M HN -0.022 nan 8.290 nan 0.000 0.460 167 R N 0.953 121.483 120.500 0.050 0.000 2.837 167 R HA 0.814 5.154 4.340 -0.001 0.000 0.271 167 R C -0.657 175.643 176.300 -0.001 0.000 0.993 167 R CA -0.829 55.068 56.100 -0.339 0.000 0.931 167 R CB 1.900 31.438 30.300 -1.270 0.000 1.206 167 R HN 0.807 nan 8.270 nan 0.000 0.474 168 A N 0.699 123.534 122.820 0.026 0.000 2.346 168 A HA 0.074 4.393 4.320 -0.001 0.000 0.252 168 A C 0.517 178.263 177.584 0.269 0.000 1.089 168 A CA 0.030 52.230 52.037 0.271 0.000 0.797 168 A CB 0.072 19.177 19.000 0.174 0.000 1.047 168 A HN 0.755 nan 8.150 nan 0.000 0.494 169 D N -0.687 119.909 120.400 0.327 0.000 2.352 169 D HA -0.065 4.575 4.640 -0.001 0.000 0.232 169 D C 0.973 177.360 176.300 0.144 0.000 1.055 169 D CA 1.187 55.286 54.000 0.166 0.000 0.891 169 D CB -0.591 40.131 40.800 -0.130 0.000 0.897 169 D HN 0.441 nan 8.370 nan 0.000 0.529 170 T N -4.578 110.052 114.554 0.126 0.000 3.085 170 T HA 0.108 4.458 4.350 -0.001 0.000 0.264 170 T C 0.240 174.959 174.700 0.032 0.000 1.019 170 T CA -0.801 61.331 62.100 0.055 0.000 0.910 170 T CB -0.818 68.075 68.868 0.041 0.000 1.059 170 T HN 0.170 nan 8.240 nan 0.000 0.542 171 Y N 2.572 122.837 120.300 -0.059 0.000 2.411 171 Y HA 0.452 5.001 4.550 -0.001 0.000 0.333 171 Y C 0.163 176.053 175.900 -0.017 0.000 1.186 171 Y CA 0.478 58.508 58.100 -0.116 0.000 1.381 171 Y CB 0.831 39.099 38.460 -0.319 0.000 1.273 171 Y HN 0.183 nan 8.280 nan 0.000 0.546 172 T N 7.375 121.311 114.554 -1.031 0.000 3.041 172 T HA 0.305 4.655 4.350 -0.001 0.000 0.321 172 T C -2.349 171.787 174.700 -0.940 0.000 1.184 172 T CA -1.518 60.198 62.100 -0.640 0.000 1.050 172 T CB 1.611 70.441 68.868 -0.065 0.000 1.159 172 T HN 0.547 nan 8.240 nan 0.000 0.469 173 P HA 0.131 nan 4.420 nan 0.000 0.236 173 P C 0.320 177.562 177.300 -0.097 0.000 1.177 173 P CA 0.147 63.024 63.100 -0.373 0.000 0.773 173 P CB 0.104 31.611 31.700 -0.321 0.000 0.878 174 V N 2.243 122.069 119.914 -0.145 0.000 2.405 174 V HA 0.072 4.192 4.120 -0.001 0.000 0.264 174 V C 1.792 177.789 176.094 -0.161 0.000 1.048 174 V CA 0.063 62.237 62.300 -0.210 0.000 0.966 174 V CB 0.490 32.134 31.823 -0.298 0.000 1.015 174 V HN 0.021 nan 8.190 nan 0.000 0.477 175 K N 3.449 123.800 120.400 -0.083 0.000 2.063 175 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 175 K C 1.208 177.765 176.600 -0.073 0.000 1.048 175 K CA 1.549 57.828 56.287 -0.013 0.000 0.928 175 K CB -0.071 32.512 32.500 0.139 0.000 0.713 175 K HN 0.830 nan 8.250 nan 0.000 0.442 176 N N 0.461 119.041 118.700 -0.200 0.000 2.455 176 N HA 0.155 4.894 4.740 -0.001 0.000 0.258 176 N C -0.799 174.548 175.510 -0.272 0.000 1.158 176 N CA -0.051 52.788 53.050 -0.351 0.000 0.893 176 N CB 0.715 38.699 38.487 -0.839 0.000 1.173 176 N HN 0.008 nan 8.380 nan 0.000 0.503 177 A N 0.489 123.205 122.820 -0.173 0.000 2.606 177 A HA 0.569 4.888 4.320 -0.001 0.000 0.293 177 A C -1.426 176.126 177.584 -0.053 0.000 1.082 177 A CA -0.841 51.135 52.037 -0.102 0.000 0.685 177 A CB 1.575 20.523 19.000 -0.088 0.000 1.284 177 A HN 0.394 nan 8.150 nan 0.000 0.408 178 Q N 1.044 120.825 119.800 -0.032 0.000 2.337 178 Q HA 0.648 4.988 4.340 -0.001 0.000 0.270 178 Q C -0.805 175.110 176.000 -0.140 0.000 1.043 178 Q CA -0.759 55.000 55.803 -0.073 0.000 0.794 178 Q CB 2.053 30.736 28.738 -0.091 0.000 1.281 178 Q HN 0.708 nan 8.270 nan 0.000 0.446 179 R N 3.825 124.179 120.500 -0.243 0.000 2.267 179 R HA 0.302 4.642 4.340 -0.001 0.000 0.319 179 R C -0.569 175.563 176.300 -0.280 0.000 1.067 179 R CA -0.312 55.471 56.100 -0.528 0.000 0.936 179 R CB 0.494 30.540 30.300 -0.423 0.000 1.006 179 R HN 0.713 nan 8.270 nan 0.000 0.452 180 L N 4.629 125.675 121.223 -0.295 0.000 2.410 180 L HA 0.116 4.455 4.340 -0.001 0.000 0.273 180 L C 0.735 177.575 176.870 -0.050 0.000 1.152 180 L CA 0.117 54.819 54.840 -0.230 0.000 0.855 180 L CB 0.567 42.313 42.059 -0.522 0.000 1.129 180 L HN 0.552 nan 8.230 nan 0.000 0.463 181 K N 5.051 125.525 120.400 0.123 0.000 2.447 181 K HA 0.126 4.446 4.320 -0.001 0.000 0.281 181 K C -2.287 174.395 176.600 0.137 0.000 1.031 181 K CA -1.287 55.073 56.287 0.121 0.000 1.019 181 K CB 0.630 33.205 32.500 0.125 0.000 0.918 181 K HN 0.201 nan 8.250 nan 0.000 0.476 182 P HA 0.027 nan 4.420 nan 0.000 0.268 182 P C -0.539 176.785 177.300 0.039 0.000 1.205 182 P CA 0.447 63.570 63.100 0.038 0.000 0.771 182 P CB 0.843 32.535 31.700 -0.014 0.000 0.858 183 G N 1.400 110.226 108.800 0.044 0.000 2.353 183 G HA2 0.081 4.040 3.960 -0.001 0.000 0.294 183 G HA3 0.081 4.040 3.960 -0.001 0.000 0.294 183 G C -0.032 174.880 174.900 0.021 0.000 1.077 183 G CA 0.040 45.158 45.100 0.030 0.000 1.098 183 G HN 0.786 nan 8.290 nan 0.000 0.511 184 A N -1.224 121.615 122.820 0.032 0.000 2.609 184 A HA 0.952 5.271 4.320 -0.001 0.000 0.291 184 A C -0.390 177.062 177.584 -0.219 0.000 1.096 184 A CA 0.028 51.992 52.037 -0.121 0.000 0.684 184 A CB 2.073 20.945 19.000 -0.214 0.000 1.282 184 A HN 1.870 nan 8.150 nan 0.000 0.412 185 V N 2.262 122.001 119.914 -0.291 0.000 2.483 185 V HA 0.687 4.806 4.120 -0.001 0.000 0.295 185 V C -1.089 174.772 176.094 -0.387 0.000 1.035 185 V CA -0.369 61.840 62.300 -0.152 0.000 0.896 185 V CB 1.247 33.094 31.823 0.040 0.000 0.986 185 V HN 0.869 nan 8.190 nan 0.000 0.447 186 H N 5.009 124.135 119.070 0.093 0.000 2.589 186 H HA 0.503 5.058 4.556 -0.001 0.000 0.351 186 H C -0.896 174.460 175.328 0.046 0.000 1.074 186 H CA -0.493 55.578 56.048 0.037 0.000 1.203 186 H CB 2.061 31.831 29.762 0.014 0.000 1.558 186 H HN 0.596 nan 8.280 nan 0.000 0.522 187 V N 4.932 124.912 119.914 0.111 0.000 2.384 187 V HA 0.241 4.360 4.120 -0.001 0.000 0.287 187 V C -1.078 175.027 176.094 0.018 0.000 1.020 187 V CA -0.741 61.608 62.300 0.082 0.000 0.850 187 V CB 0.837 32.709 31.823 0.082 0.000 0.987 187 V HN 0.428 nan 8.190 nan 0.000 0.436 188 L N 7.891 129.115 121.223 0.003 0.000 2.302 188 L HA 0.492 4.832 4.340 -0.001 0.000 0.285 188 L C 0.937 177.753 176.870 -0.091 0.000 1.090 188 L CA 0.638 55.428 54.840 -0.083 0.000 0.866 188 L CB 0.663 42.674 42.059 -0.080 0.000 1.244 188 L HN 0.961 nan 8.230 nan 0.000 0.435 189 T N -0.863 113.613 114.554 -0.130 0.000 2.910 189 T HA 0.730 5.080 4.350 -0.001 0.000 0.279 189 T C -0.388 174.087 174.700 -0.374 0.000 0.989 189 T CA -0.701 61.363 62.100 -0.061 0.000 0.968 189 T CB 1.369 70.275 68.868 0.063 0.000 1.135 189 T HN 0.448 nan 8.240 nan 0.000 0.562 190 H N -0.010 119.022 119.070 -0.063 0.000 2.856 190 H HA 0.484 5.039 4.556 -0.001 0.000 0.355 190 H C -0.821 174.510 175.328 0.005 0.000 1.079 190 H CA -0.713 55.295 56.048 -0.067 0.000 1.240 190 H CB 1.298 30.944 29.762 -0.194 0.000 1.701 190 H HN 0.891 nan 8.280 nan 0.000 0.527 191 D N 0.051 120.515 120.400 0.106 0.000 2.447 191 D HA 0.058 4.697 4.640 -0.001 0.000 0.265 191 D C 1.281 177.631 176.300 0.083 0.000 1.250 191 D CA -0.179 53.863 54.000 0.069 0.000 1.046 191 D CB 0.354 41.173 40.800 0.032 0.000 1.095 191 D HN 0.431 nan 8.370 nan 0.000 0.555 192 S N -1.266 114.468 115.700 0.057 0.000 2.440 192 S HA -0.213 4.256 4.470 -0.001 0.000 0.240 192 S C 1.094 175.725 174.600 0.053 0.000 1.014 192 S CA 0.922 59.152 58.200 0.049 0.000 0.980 192 S CB -0.424 62.796 63.200 0.034 0.000 0.775 192 S HN 0.504 nan 8.310 nan 0.000 0.499 193 E N 0.532 120.783 120.200 0.085 0.000 2.465 193 E HA 0.298 4.648 4.350 -0.001 0.000 0.195 193 E C 1.286 177.806 176.600 -0.133 0.000 1.028 193 E CA 0.413 56.838 56.400 0.041 0.000 0.899 193 E CB 0.133 29.951 29.700 0.196 0.000 1.032 193 E HN 0.667 nan 8.360 nan 0.000 0.468 194 G N 0.877 109.656 108.800 -0.036 0.000 2.176 194 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.253 194 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.253 194 G C -0.060 174.821 174.900 -0.030 0.000 0.979 194 G CA 0.032 45.109 45.100 -0.038 0.000 0.641 194 G HN 0.230 nan 8.290 nan 0.000 0.530 195 Y N 1.627 121.987 120.300 0.099 0.000 2.359 195 Y HA 0.519 5.068 4.550 -0.001 0.000 0.330 195 Y C 1.211 177.098 175.900 -0.022 0.000 1.143 195 Y CA 0.126 58.261 58.100 0.059 0.000 1.318 195 Y CB 1.228 39.702 38.460 0.023 0.000 1.234 195 Y HN 0.222 nan 8.280 nan 0.000 0.522 196 S N 3.912 119.647 115.700 0.058 0.000 2.562 196 S HA 0.354 4.823 4.470 -0.001 0.000 0.281 196 S C -1.098 173.472 174.600 -0.049 0.000 1.333 196 S CA -0.261 57.763 58.200 -0.293 0.000 1.052 196 S CB -0.107 62.960 63.200 -0.222 0.000 0.884 196 S HN 0.469 nan 8.310 nan 0.000 0.506 197 F N 4.576 124.334 119.950 -0.321 0.000 2.607 197 F HA 0.502 5.028 4.527 -0.001 0.000 0.322 197 F C -1.187 174.521 175.800 -0.153 0.000 1.176 197 F CA -0.842 57.056 58.000 -0.170 0.000 0.977 197 F CB 1.486 40.417 39.000 -0.114 0.000 1.242 197 F HN 0.407 nan 8.300 nan 0.000 0.465 198 V N 5.424 124.927 119.914 -0.686 0.000 2.383 198 V HA 0.341 4.460 4.120 -0.001 0.000 0.275 198 V C -0.504 175.232 176.094 -0.597 0.000 1.036 198 V CA -0.637 61.377 62.300 -0.477 0.000 0.889 198 V CB 1.261 32.913 31.823 -0.284 0.000 0.985 198 V HN 0.657 nan 8.190 nan 0.000 0.459 199 E N 3.307 123.325 120.200 -0.304 0.000 2.063 199 E HA 0.447 4.796 4.350 -0.001 0.000 0.265 199 E C -0.599 175.952 176.600 -0.082 0.000 0.919 199 E CA -0.238 56.053 56.400 -0.182 0.000 0.756 199 E CB 1.337 31.017 29.700 -0.033 0.000 1.120 199 E HN 0.627 nan 8.360 nan 0.000 0.414 200 S N 2.695 118.342 115.700 -0.088 0.000 2.638 200 S HA 0.575 5.044 4.470 -0.001 0.000 0.298 200 S C -0.228 174.304 174.600 -0.114 0.000 1.111 200 S CA -0.776 57.359 58.200 -0.109 0.000 1.027 200 S CB 1.552 64.738 63.200 -0.023 0.000 1.064 200 S HN 0.419 nan 8.310 nan 0.000 0.525 201 R N 1.022 121.419 120.500 -0.172 0.000 2.508 201 R HA 0.250 4.590 4.340 -0.001 0.000 0.283 201 R C -0.876 175.353 176.300 -0.117 0.000 1.120 201 R CA -0.237 55.801 56.100 -0.103 0.000 0.958 201 R CB 1.531 31.791 30.300 -0.067 0.000 1.215 201 R HN 0.697 nan 8.270 nan 0.000 0.427 202 T N 3.112 117.622 114.554 -0.072 0.000 2.940 202 T HA 0.150 4.499 4.350 -0.001 0.000 0.309 202 T C 1.322 175.993 174.700 -0.048 0.000 1.056 202 T CA -0.004 62.063 62.100 -0.055 0.000 1.137 202 T CB 0.453 69.307 68.868 -0.024 0.000 0.976 202 T HN 0.564 nan 8.240 nan 0.000 0.547 203 L N 3.424 124.622 121.223 -0.041 0.000 2.529 203 L HA 0.233 4.572 4.340 -0.001 0.000 0.223 203 L C 1.188 178.033 176.870 -0.042 0.000 1.113 203 L CA 0.110 54.931 54.840 -0.033 0.000 0.861 203 L CB 0.004 42.056 42.059 -0.012 0.000 1.012 203 L HN 0.759 nan 8.230 nan 0.000 0.461 204 T N -2.689 111.838 114.554 -0.046 0.000 2.916 204 T HA 0.499 4.849 4.350 -0.001 0.000 0.298 204 T C -0.161 174.511 174.700 -0.045 0.000 1.031 204 T CA -0.648 61.417 62.100 -0.058 0.000 0.993 204 T CB 2.171 70.987 68.868 -0.086 0.000 1.045 204 T HN 0.037 nan 8.240 nan 0.000 0.454 205 T N 0.301 114.827 114.554 -0.046 0.000 2.944 205 T HA 0.707 5.056 4.350 -0.001 0.000 0.284 205 T C -2.521 172.150 174.700 -0.048 0.000 1.010 205 T CA -1.632 60.446 62.100 -0.036 0.000 1.025 205 T CB -0.183 68.668 68.868 -0.029 0.000 1.079 205 T HN 0.538 nan 8.240 nan 0.000 0.516 206 P HA 0.392 nan 4.420 nan 0.000 0.262 206 P C -0.327 176.935 177.300 -0.063 0.000 1.182 206 P CA -0.214 62.854 63.100 -0.052 0.000 0.761 206 P CB 0.038 31.726 31.700 -0.021 0.000 0.795 207 A N 2.761 125.508 122.820 -0.122 0.000 2.280 207 A HA 0.412 4.732 4.320 -0.001 0.000 0.268 207 A C 0.623 178.213 177.584 0.010 0.000 1.111 207 A CA -0.264 51.719 52.037 -0.091 0.000 0.814 207 A CB 0.033 18.920 19.000 -0.189 0.000 1.093 207 A HN 0.516 nan 8.150 nan 0.000 0.498 208 S N -0.509 115.222 115.700 0.052 0.000 2.576 208 S HA 0.132 4.602 4.470 -0.001 0.000 0.276 208 S C 0.479 175.165 174.600 0.144 0.000 1.339 208 S CA -0.535 57.712 58.200 0.078 0.000 1.039 208 S CB -0.015 63.217 63.200 0.052 0.000 0.902 208 S HN 0.587 nan 8.310 nan 0.000 0.516 209 N N 2.090 120.844 118.700 0.091 0.000 2.203 209 N HA 0.092 4.832 4.740 -0.001 0.000 0.207 209 N C -0.583 174.922 175.510 -0.008 0.000 1.130 209 N CA -0.063 53.008 53.050 0.036 0.000 0.861 209 N CB 0.308 38.809 38.487 0.024 0.000 1.005 209 N HN 0.594 nan 8.380 nan 0.000 0.507 210 Q N 0.993 120.802 119.800 0.015 0.000 2.313 210 Q HA 0.109 4.449 4.340 -0.001 0.000 0.266 210 Q C 0.159 176.163 176.000 0.007 0.000 0.989 210 Q CA -0.389 55.419 55.803 0.009 0.000 0.890 210 Q CB 0.986 29.737 28.738 0.022 0.000 1.200 210 Q HN 0.086 nan 8.270 nan 0.000 0.396 211 L N 2.514 123.732 121.223 -0.008 0.000 2.653 211 L HA -0.138 4.202 4.340 -0.001 0.000 0.288 211 L C 0.422 177.333 176.870 0.069 0.000 1.243 211 L CA 0.883 55.723 54.840 -0.000 0.000 0.906 211 L CB -0.167 41.873 42.059 -0.031 0.000 1.154 211 L HN 0.473 nan 8.230 nan 0.000 0.498 212 L N 4.888 126.167 121.223 0.095 0.000 2.288 212 L HA 0.384 4.723 4.340 -0.001 0.000 0.283 212 L C 0.357 177.338 176.870 0.186 0.000 1.072 212 L CA -0.498 54.411 54.840 0.117 0.000 0.862 212 L CB 0.607 42.723 42.059 0.095 0.000 1.245 212 L HN 0.810 nan 8.230 nan 0.000 0.432 213 A N 5.818 128.737 122.820 0.165 0.000 3.056 213 A HA 0.245 4.565 4.320 -0.001 0.000 0.274 213 A C -0.307 177.353 177.584 0.126 0.000 1.661 213 A CA -0.433 51.697 52.037 0.155 0.000 1.363 213 A CB -0.361 18.698 19.000 0.099 0.000 1.139 213 A HN 0.623 nan 8.150 nan 0.000 0.598 214 L N 3.654 124.973 121.223 0.160 0.000 2.313 214 L HA 0.403 4.742 4.340 -0.001 0.000 0.282 214 L C -1.912 175.030 176.870 0.120 0.000 1.092 214 L CA -1.751 53.149 54.840 0.100 0.000 0.831 214 L CB 0.524 42.614 42.059 0.052 0.000 1.159 214 L HN 0.322 nan 8.230 nan 0.000 0.442 215 P HA -0.018 nan 4.420 nan 0.000 0.266 215 P C 0.386 177.732 177.300 0.077 0.000 1.195 215 P CA -0.076 63.076 63.100 0.086 0.000 0.768 215 P CB 0.600 32.329 31.700 0.048 0.000 0.838 216 R N 2.200 122.777 120.500 0.128 0.000 2.136 216 R HA -0.254 4.086 4.340 -0.001 0.000 0.242 216 R C 1.996 178.307 176.300 0.019 0.000 1.131 216 R CA 2.356 58.514 56.100 0.097 0.000 0.937 216 R CB -0.313 30.071 30.300 0.140 0.000 0.863 216 R HN 0.546 nan 8.270 nan 0.000 0.435 217 E N -0.897 119.319 120.200 0.027 0.000 2.031 217 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 217 E C -0.776 175.817 176.600 -0.013 0.000 0.994 217 E CA 1.616 58.023 56.400 0.012 0.000 0.800 217 E CB -0.583 29.127 29.700 0.018 0.000 0.752 217 E HN 0.426 nan 8.360 nan 0.000 0.447 218 P HA -0.172 nan 4.420 nan 0.000 0.215 218 P C 1.466 178.728 177.300 -0.064 0.000 1.153 218 P CA 0.824 63.906 63.100 -0.031 0.000 0.853 218 P CB 0.016 31.709 31.700 -0.012 0.000 0.788 219 L N -0.754 120.422 121.223 -0.079 0.000 2.012 219 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 219 L C 2.125 178.913 176.870 -0.137 0.000 1.073 219 L CA 1.850 56.611 54.840 -0.130 0.000 0.748 219 L CB -1.460 40.445 42.059 -0.256 0.000 0.891 219 L HN -0.104 nan 8.230 nan 0.000 0.431 220 L N -0.651 120.511 121.223 -0.103 0.000 2.083 220 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 220 L C 2.647 179.446 176.870 -0.118 0.000 1.083 220 L CA 1.114 55.907 54.840 -0.078 0.000 0.752 220 L CB -0.863 41.211 42.059 0.025 0.000 0.899 220 L HN 0.430 nan 8.230 nan 0.000 0.433 221 A N 0.159 122.917 122.820 -0.102 0.000 1.873 221 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 221 A C 2.228 179.664 177.584 -0.247 0.000 1.186 221 A CA 1.298 53.261 52.037 -0.123 0.000 0.616 221 A CB -0.650 18.298 19.000 -0.088 0.000 0.823 221 A HN 0.334 nan 8.150 nan 0.000 0.442 222 L N -0.519 120.531 121.223 -0.289 0.000 2.042 222 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 222 L C 2.502 179.029 176.870 -0.572 0.000 1.076 222 L CA 1.375 55.896 54.840 -0.532 0.000 0.749 222 L CB -0.537 41.342 42.059 -0.300 0.000 0.893 222 L HN 0.381 nan 8.230 nan 0.000 0.432 223 I N -0.034 120.325 120.570 -0.351 0.000 2.286 223 I HA -0.318 3.852 4.170 -0.001 0.000 0.248 223 I C 2.206 177.979 176.117 -0.574 0.000 1.115 223 I CA 1.647 62.721 61.300 -0.376 0.000 1.392 223 I CB -0.338 37.395 38.000 -0.445 0.000 1.065 223 I HN 0.335 nan 8.210 nan 0.000 0.418 224 D N 0.726 120.780 120.400 -0.577 0.000 2.144 224 D HA -0.223 4.417 4.640 -0.001 0.000 0.200 224 D C 2.335 178.523 176.300 -0.187 0.000 0.978 224 D CA 1.238 55.037 54.000 -0.334 0.000 0.833 224 D CB 0.020 40.808 40.800 -0.021 0.000 0.961 224 D HN 0.084 nan 8.370 nan 0.000 0.470 225 R N -1.249 119.083 120.500 -0.280 0.000 2.062 225 R HA -0.140 4.200 4.340 -0.001 0.000 0.231 225 R C 1.862 178.075 176.300 -0.145 0.000 1.136 225 R CA 1.189 57.139 56.100 -0.250 0.000 0.948 225 R CB -0.323 29.729 30.300 -0.413 0.000 0.845 225 R HN 0.271 nan 8.270 nan 0.000 0.430 226 Y N 0.553 120.799 120.300 -0.090 0.000 2.439 226 Y HA -0.044 4.505 4.550 -0.001 0.000 0.292 226 Y C 1.956 177.787 175.900 -0.115 0.000 1.130 226 Y CA 0.463 58.508 58.100 -0.093 0.000 1.254 226 Y CB -0.266 38.140 38.460 -0.090 0.000 1.000 226 Y HN 0.090 nan 8.280 nan 0.000 0.554 227 L N -0.632 120.572 121.223 -0.032 0.000 2.270 227 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 227 L C 1.844 178.679 176.870 -0.059 0.000 1.104 227 L CA 0.614 55.385 54.840 -0.116 0.000 0.804 227 L CB -0.196 41.730 42.059 -0.222 0.000 0.937 227 L HN 0.207 nan 8.230 nan 0.000 0.450 228 N N 0.202 118.887 118.700 -0.025 0.000 2.290 228 N HA -0.028 4.711 4.740 -0.001 0.000 0.179 228 N C 1.931 177.387 175.510 -0.090 0.000 1.016 228 N CA 1.101 54.131 53.050 -0.034 0.000 0.871 228 N CB 0.102 38.630 38.487 0.069 0.000 0.987 228 N HN 0.193 nan 8.380 nan 0.000 0.431 229 A N 2.325 125.136 122.820 -0.015 0.000 1.903 229 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 229 A C -0.285 177.285 177.584 -0.024 0.000 1.191 229 A CA 1.710 53.752 52.037 0.008 0.000 0.638 229 A CB -1.628 17.419 19.000 0.077 0.000 0.823 229 A HN 0.226 nan 8.150 nan 0.000 0.451 230 P HA -0.100 nan 4.420 nan 0.000 0.217 230 P C 1.173 178.448 177.300 -0.042 0.000 1.150 230 P CA 0.756 63.839 63.100 -0.029 0.000 0.832 230 P CB -0.049 31.634 31.700 -0.028 0.000 0.787 231 L N -0.464 120.689 121.223 -0.115 0.000 2.156 231 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 231 L C 2.065 178.731 176.870 -0.341 0.000 1.095 231 L CA 1.697 56.430 54.840 -0.178 0.000 0.770 231 L CB -1.505 40.321 42.059 -0.389 0.000 0.914 231 L HN 0.019 nan 8.230 nan 0.000 0.439 232 E N -0.817 119.182 120.200 -0.335 0.000 2.274 232 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 232 E C 1.390 177.949 176.600 -0.068 0.000 0.996 232 E CA 0.977 57.264 56.400 -0.187 0.000 0.840 232 E CB -0.016 29.636 29.700 -0.080 0.000 0.772 232 E HN 0.515 nan 8.360 nan 0.000 0.491 233 D N 0.500 120.882 120.400 -0.030 0.000 2.183 233 D HA -0.047 4.592 4.640 -0.001 0.000 0.205 233 D C 1.719 178.052 176.300 0.056 0.000 0.962 233 D CA 0.634 54.647 54.000 0.021 0.000 0.849 233 D CB 0.194 41.020 40.800 0.043 0.000 0.978 233 D HN 0.054 nan 8.370 nan 0.000 0.488 234 L N -0.074 121.218 121.223 0.114 0.000 2.446 234 L HA 0.224 4.564 4.340 -0.001 0.000 0.219 234 L C 2.405 179.488 176.870 0.355 0.000 1.116 234 L CA 0.458 55.471 54.840 0.289 0.000 0.844 234 L CB -0.205 42.091 42.059 0.396 0.000 0.970 234 L HN 0.069 nan 8.230 nan 0.000 0.457 235 A N 1.316 124.174 122.820 0.063 0.000 1.892 235 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 235 A C -0.159 177.428 177.584 0.004 0.000 1.188 235 A CA 1.856 53.782 52.037 -0.186 0.000 0.631 235 A CB -1.749 17.050 19.000 -0.335 0.000 0.822 235 A HN 0.277 nan 8.150 nan 0.000 0.447 236 P HA -0.041 nan 4.420 nan 0.000 0.229 236 P C 1.090 178.355 177.300 -0.058 0.000 1.160 236 P CA 0.849 63.935 63.100 -0.023 0.000 0.777 236 P CB 0.036 31.716 31.700 -0.034 0.000 0.814 237 R N -2.281 118.165 120.500 -0.090 0.000 2.290 237 R HA 0.238 4.577 4.340 -0.001 0.000 0.197 237 R C -0.133 175.772 176.300 -0.657 0.000 0.913 237 R CA 0.360 56.225 56.100 -0.391 0.000 1.040 237 R CB 0.122 30.110 30.300 -0.519 0.000 0.992 237 R HN 0.188 nan 8.270 nan 0.000 0.500 238 F N -0.719 119.323 119.950 0.155 0.000 2.591 238 F HA 0.266 4.792 4.527 -0.001 0.000 0.309 238 F C 0.487 176.443 175.800 0.261 0.000 1.098 238 F CA -1.164 56.944 58.000 0.180 0.000 0.937 238 F CB 1.953 41.050 39.000 0.162 0.000 1.250 238 F HN -0.293 nan 8.300 nan 0.000 0.447 239 D N 0.303 120.930 120.400 0.378 0.000 2.323 239 D HA 0.066 4.706 4.640 -0.001 0.000 0.218 239 D C 0.215 176.689 176.300 0.290 0.000 0.973 239 D CA 1.168 55.342 54.000 0.291 0.000 0.890 239 D CB 0.587 41.492 40.800 0.175 0.000 1.011 239 D HN 0.407 nan 8.370 nan 0.000 0.499 240 T N 0.573 115.259 114.554 0.220 0.000 2.855 240 T HA 0.501 4.851 4.350 -0.001 0.000 0.281 240 T C -0.543 174.115 174.700 -0.069 0.000 1.007 240 T CA -0.557 61.602 62.100 0.099 0.000 1.009 240 T CB 2.955 71.876 68.868 0.089 0.000 0.983 240 T HN -0.245 nan 8.240 nan 0.000 0.455 241 V N 1.657 121.452 119.914 -0.197 0.000 2.876 241 V HA 0.892 5.012 4.120 -0.001 0.000 0.312 241 V C -0.123 175.860 176.094 -0.185 0.000 1.085 241 V CA -0.371 61.693 62.300 -0.393 0.000 0.945 241 V CB 2.026 33.324 31.823 -0.875 0.000 1.017 241 V HN 1.038 nan 8.190 nan 0.000 0.428 242 G N 5.058 113.770 108.800 -0.147 0.000 2.389 242 G HA2 0.738 4.697 3.960 -0.001 0.000 0.328 242 G HA3 0.738 4.697 3.960 -0.001 0.000 0.328 242 G C -1.161 173.760 174.900 0.036 0.000 1.133 242 G CA -0.589 44.544 45.100 0.056 0.000 0.891 242 G HN 0.771 nan 8.290 nan 0.000 0.485 243 I N 1.771 122.443 120.570 0.169 0.000 2.529 243 I HA 0.231 4.400 4.170 -0.001 0.000 0.284 243 I C -2.625 173.616 176.117 0.206 0.000 1.088 243 I CA -2.002 59.379 61.300 0.134 0.000 1.062 243 I CB 3.302 41.361 38.000 0.098 0.000 1.218 243 I HN 0.198 nan 8.210 nan 0.000 0.442 244 P HA 0.173 nan 4.420 nan 0.000 0.269 244 P C -0.667 176.734 177.300 0.168 0.000 1.263 244 P CA 0.145 63.338 63.100 0.156 0.000 0.813 244 P CB 0.368 32.120 31.700 0.087 0.000 0.868 245 L N 3.267 124.609 121.223 0.198 0.000 2.289 245 L HA 0.306 4.646 4.340 -0.001 0.000 0.285 245 L C 1.052 178.044 176.870 0.203 0.000 1.049 245 L CA 0.013 54.966 54.840 0.189 0.000 0.804 245 L CB 1.485 43.662 42.059 0.197 0.000 1.195 245 L HN 0.322 nan 8.230 nan 0.000 0.428 246 S N 0.877 116.675 115.700 0.164 0.000 2.666 246 S HA 0.202 4.671 4.470 -0.001 0.000 0.239 246 S C 1.048 175.746 174.600 0.163 0.000 1.031 246 S CA 0.285 58.584 58.200 0.165 0.000 1.015 246 S CB 0.762 64.027 63.200 0.108 0.000 0.981 246 S HN 1.063 nan 8.310 nan 0.000 0.547 247 G N 0.773 109.660 108.800 0.144 0.000 2.184 247 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.264 247 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.264 247 G C 0.627 175.553 174.900 0.044 0.000 0.975 247 G CA 0.096 45.283 45.100 0.144 0.000 0.642 247 G HN 1.134 nan 8.290 nan 0.000 0.536 248 G N -1.093 107.717 108.800 0.018 0.000 2.611 248 G HA2 0.497 4.456 3.960 -0.001 0.000 0.273 248 G HA3 0.497 4.456 3.960 -0.001 0.000 0.273 248 G C 1.179 176.060 174.900 -0.031 0.000 1.305 248 G CA 0.048 45.121 45.100 -0.045 0.000 1.010 248 G HN 0.631 nan 8.290 nan 0.000 0.509 249 L N -0.653 120.534 121.223 -0.060 0.000 2.072 249 L HA -0.013 4.326 4.340 -0.001 0.000 0.205 249 L C 1.860 178.736 176.870 0.009 0.000 1.079 249 L CA 2.048 56.854 54.840 -0.057 0.000 0.752 249 L CB -0.803 41.189 42.059 -0.111 0.000 0.906 249 L HN 0.515 nan 8.230 nan 0.000 0.436 250 D N -0.169 120.239 120.400 0.012 0.000 2.110 250 D HA -0.123 4.517 4.640 -0.001 0.000 0.202 250 D C 2.244 178.673 176.300 0.215 0.000 0.975 250 D CA 1.615 55.674 54.000 0.099 0.000 0.839 250 D CB -0.014 40.698 40.800 -0.146 0.000 0.996 250 D HN 0.440 nan 8.370 nan 0.000 0.464 251 S N 0.708 116.493 115.700 0.141 0.000 2.402 251 S HA -0.073 4.396 4.470 -0.001 0.000 0.229 251 S C 2.164 176.854 174.600 0.150 0.000 1.021 251 S CA 0.902 59.204 58.200 0.170 0.000 0.974 251 S CB -0.209 63.074 63.200 0.138 0.000 0.800 251 S HN 0.001 nan 8.310 nan 0.000 0.484 252 S N 1.839 117.606 115.700 0.113 0.000 2.387 252 S HA 0.118 4.588 4.470 -0.001 0.000 0.226 252 S C 1.688 176.346 174.600 0.096 0.000 1.026 252 S CA 0.891 59.144 58.200 0.089 0.000 0.972 252 S CB -0.509 62.726 63.200 0.057 0.000 0.814 252 S HN 0.435 nan 8.310 nan 0.000 0.477 253 L N 1.955 123.250 121.223 0.121 0.000 2.093 253 L HA 0.026 4.365 4.340 -0.001 0.000 0.208 253 L C 2.061 179.023 176.870 0.154 0.000 1.085 253 L CA 1.472 56.389 54.840 0.127 0.000 0.755 253 L CB -0.613 41.555 42.059 0.181 0.000 0.904 253 L HN 0.112 nan 8.230 nan 0.000 0.435 254 V N -0.798 119.236 119.914 0.201 0.000 2.515 254 V HA -0.245 3.875 4.120 -0.001 0.000 0.250 254 V C 2.417 178.605 176.094 0.156 0.000 1.058 254 V CA 2.058 64.469 62.300 0.185 0.000 1.064 254 V CB -0.933 31.027 31.823 0.230 0.000 0.675 254 V HN 0.532 nan 8.190 nan 0.000 0.461 255 T N 0.374 115.010 114.554 0.136 0.000 2.777 255 T HA -0.094 4.256 4.350 -0.001 0.000 0.266 255 T C 2.119 176.888 174.700 0.115 0.000 1.040 255 T CA 1.451 63.621 62.100 0.117 0.000 1.141 255 T CB -0.382 68.542 68.868 0.093 0.000 0.868 255 T HN 0.554 nan 8.240 nan 0.000 0.444 256 A N 1.432 124.309 122.820 0.095 0.000 1.883 256 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 256 A C 2.301 179.944 177.584 0.098 0.000 1.186 256 A CA 1.347 53.427 52.037 0.071 0.000 0.624 256 A CB -0.895 18.127 19.000 0.036 0.000 0.822 256 A HN 0.473 nan 8.150 nan 0.000 0.444 257 L N -1.010 120.296 121.223 0.138 0.000 2.027 257 L HA -0.157 4.182 4.340 -0.001 0.000 0.206 257 L C 3.120 180.180 176.870 0.316 0.000 1.074 257 L CA 1.014 55.977 54.840 0.205 0.000 0.745 257 L CB -0.673 41.514 42.059 0.213 0.000 0.898 257 L HN 0.432 nan 8.230 nan 0.000 0.433 258 A N 0.446 123.458 122.820 0.321 0.000 1.948 258 A HA -0.255 4.065 4.320 -0.001 0.000 0.220 258 A C 2.508 180.355 177.584 0.437 0.000 1.177 258 A CA 2.109 54.437 52.037 0.485 0.000 0.636 258 A CB -0.760 18.423 19.000 0.306 0.000 0.815 258 A HN 0.556 nan 8.150 nan 0.000 0.449 259 S N -0.231 115.610 115.700 0.236 0.000 2.442 259 S HA -0.146 4.324 4.470 -0.001 0.000 0.236 259 S C 1.633 176.285 174.600 0.086 0.000 1.007 259 S CA 1.221 59.514 58.200 0.155 0.000 0.965 259 S CB -0.364 62.891 63.200 0.091 0.000 0.773 259 S HN 0.650 nan 8.310 nan 0.000 0.504 260 R N -0.474 120.044 120.500 0.030 0.000 2.317 260 R HA 0.301 4.640 4.340 -0.001 0.000 0.208 260 R C 1.140 177.189 176.300 -0.418 0.000 0.914 260 R CA 0.356 56.352 56.100 -0.173 0.000 1.060 260 R CB 0.006 30.168 30.300 -0.231 0.000 1.015 260 R HN 0.556 nan 8.270 nan 0.000 0.498 261 H N -1.589 117.431 119.070 -0.083 0.000 3.400 261 H HA 0.215 4.771 4.556 -0.001 0.000 0.251 261 H C -0.293 174.656 175.328 -0.632 0.000 1.040 261 H CA 0.233 56.044 56.048 -0.394 0.000 1.175 261 H CB 0.796 30.197 29.762 -0.602 0.000 1.487 261 H HN -0.051 nan 8.280 nan 0.000 0.505 262 F N 0.260 120.295 119.950 0.142 0.000 2.598 262 F HA 0.302 4.829 4.527 -0.001 0.000 0.327 262 F C 1.367 177.211 175.800 0.072 0.000 1.057 262 F CA -0.959 57.107 58.000 0.111 0.000 0.957 262 F CB 1.814 40.883 39.000 0.114 0.000 1.278 262 F HN -0.315 nan 8.300 nan 0.000 0.484 263 K N 1.160 121.716 120.400 0.260 0.000 1.975 263 K HA -0.003 4.317 4.320 -0.001 0.000 0.210 263 K C 0.234 176.921 176.600 0.145 0.000 1.041 263 K CA 1.416 57.795 56.287 0.154 0.000 0.942 263 K CB 0.027 32.600 32.500 0.123 0.000 0.729 263 K HN 0.519 nan 8.250 nan 0.000 0.439 264 K N 0.210 120.699 120.400 0.148 0.000 2.156 264 K HA 0.316 4.636 4.320 -0.001 0.000 0.254 264 K C -1.369 175.293 176.600 0.103 0.000 0.950 264 K CA -0.700 55.653 56.287 0.110 0.000 0.849 264 K CB 0.843 33.397 32.500 0.090 0.000 1.100 264 K HN 0.011 nan 8.250 nan 0.000 0.434 265 L N 3.081 124.354 121.223 0.084 0.000 2.381 265 L HA 0.365 4.704 4.340 -0.001 0.000 0.274 265 L C -1.166 175.730 176.870 0.043 0.000 0.988 265 L CA -0.517 54.355 54.840 0.053 0.000 0.824 265 L CB 1.650 43.749 42.059 0.067 0.000 1.263 265 L HN 0.593 nan 8.230 nan 0.000 0.410 266 N N 0.880 119.586 118.700 0.010 0.000 2.511 266 N HA 0.526 5.265 4.740 -0.001 0.000 0.249 266 N C -0.700 174.717 175.510 -0.154 0.000 0.971 266 N CA -0.412 52.570 53.050 -0.113 0.000 0.938 266 N CB 1.463 39.916 38.487 -0.057 0.000 1.131 266 N HN 0.607 nan 8.380 nan 0.000 0.505 267 T N -0.369 114.058 114.554 -0.212 0.000 2.829 267 T HA 0.570 4.920 4.350 -0.001 0.000 0.282 267 T C -0.655 173.873 174.700 -0.287 0.000 0.990 267 T CA -0.444 61.637 62.100 -0.031 0.000 1.028 267 T CB 0.530 69.507 68.868 0.183 0.000 0.951 267 T HN 0.188 nan 8.240 nan 0.000 0.460 268 Y N 0.499 120.787 120.300 -0.019 0.000 2.485 268 Y HA 0.667 5.216 4.550 -0.001 0.000 0.345 268 Y C 0.290 176.177 175.900 -0.022 0.000 0.998 268 Y CA -1.070 56.960 58.100 -0.118 0.000 1.059 268 Y CB 2.671 41.066 38.460 -0.108 0.000 1.234 268 Y HN 0.782 nan 8.280 nan 0.000 0.461 269 S N 2.706 118.452 115.700 0.076 0.000 2.548 269 S HA 0.756 5.225 4.470 -0.001 0.000 0.276 269 S C -1.255 173.519 174.600 0.290 0.000 1.129 269 S CA -0.621 57.707 58.200 0.213 0.000 0.931 269 S CB 1.348 64.726 63.200 0.296 0.000 1.068 269 S HN 0.528 nan 8.310 nan 0.000 0.480 270 I N -0.515 120.265 120.570 0.350 0.000 2.957 270 I HA 1.092 5.261 4.170 -0.001 0.000 0.310 270 I C 0.223 176.476 176.117 0.226 0.000 1.063 270 I CA -0.627 60.864 61.300 0.318 0.000 1.033 270 I CB 1.538 39.617 38.000 0.131 0.000 1.230 270 I HN 0.773 nan 8.210 nan 0.000 0.447 271 G N 0.576 109.442 108.800 0.110 0.000 2.495 271 G HA2 0.644 4.603 3.960 -0.001 0.000 0.294 271 G HA3 0.644 4.603 3.960 -0.001 0.000 0.294 271 G C -1.237 173.632 174.900 -0.053 0.000 1.397 271 G CA -0.119 44.898 45.100 -0.138 0.000 0.790 271 G HN 1.018 nan 8.290 nan 0.000 0.486 272 T N -2.499 112.002 114.554 -0.088 0.000 2.927 272 T HA 0.576 4.925 4.350 -0.001 0.000 0.286 272 T C 0.972 175.646 174.700 -0.043 0.000 1.040 272 T CA 0.224 62.306 62.100 -0.031 0.000 1.010 272 T CB 2.065 70.924 68.868 -0.016 0.000 1.177 272 T HN 0.684 nan 8.240 nan 0.000 0.546 273 E N 0.878 121.072 120.200 -0.010 0.000 2.418 273 E HA -0.043 4.307 4.350 -0.001 0.000 0.197 273 E C 1.657 178.245 176.600 -0.020 0.000 1.026 273 E CA 0.731 57.127 56.400 -0.006 0.000 0.862 273 E CB -0.753 28.953 29.700 0.010 0.000 0.799 273 E HN 0.763 nan 8.360 nan 0.000 0.518 274 L N 0.760 121.967 121.223 -0.026 0.000 2.179 274 L HA 0.052 4.391 4.340 -0.001 0.000 0.208 274 L C 1.083 177.928 176.870 -0.042 0.000 1.096 274 L CA 0.874 55.699 54.840 -0.026 0.000 0.779 274 L CB -0.272 41.776 42.059 -0.017 0.000 0.922 274 L HN 0.162 nan 8.230 nan 0.000 0.443 275 S N -0.786 114.870 115.700 -0.072 0.000 2.633 275 S HA 0.533 5.003 4.470 -0.001 0.000 0.271 275 S C -1.283 173.201 174.600 -0.193 0.000 1.112 275 S CA -1.009 57.130 58.200 -0.100 0.000 0.828 275 S CB 1.731 64.893 63.200 -0.064 0.000 1.086 275 S HN 0.337 nan 8.310 nan 0.000 0.461 276 N N -0.853 117.702 118.700 -0.242 0.000 3.127 276 N HA 0.409 5.148 4.740 -0.001 0.000 0.239 276 N C -1.262 174.105 175.510 -0.240 0.000 1.407 276 N CA -0.950 51.832 53.050 -0.447 0.000 0.891 276 N CB 0.810 38.634 38.487 -1.105 0.000 1.447 276 N HN 0.655 nan 8.380 nan 0.000 0.507 277 E N -0.402 119.706 120.200 -0.154 0.000 2.558 277 E HA 0.259 4.609 4.350 -0.001 0.000 0.205 277 E C 0.013 176.773 176.600 0.268 0.000 1.006 277 E CA -0.353 56.147 56.400 0.166 0.000 0.961 277 E CB -0.087 29.758 29.700 0.241 0.000 1.044 277 E HN 0.488 nan 8.360 nan 0.000 0.465 278 F N 1.915 121.923 119.950 0.096 0.000 2.115 278 F HA -0.319 4.207 4.527 -0.001 0.000 0.300 278 F C 2.560 178.373 175.800 0.021 0.000 1.092 278 F CA 1.084 59.135 58.000 0.084 0.000 1.245 278 F CB -0.042 38.992 39.000 0.058 0.000 0.995 278 F HN 0.226 nan 8.300 nan 0.000 0.481 279 E N 0.865 121.119 120.200 0.090 0.000 2.021 279 E HA -0.256 4.094 4.350 -0.001 0.000 0.200 279 E C 2.038 178.550 176.600 -0.147 0.000 1.015 279 E CA 2.020 58.333 56.400 -0.146 0.000 0.824 279 E CB -0.321 29.113 29.700 -0.442 0.000 0.762 279 E HN 0.339 nan 8.360 nan 0.000 0.454 280 F N 0.771 120.768 119.950 0.078 0.000 2.171 280 F HA -0.156 4.370 4.527 -0.001 0.000 0.300 280 F C 2.971 178.793 175.800 0.037 0.000 1.090 280 F CA 1.167 59.198 58.000 0.052 0.000 1.293 280 F CB -0.934 38.096 39.000 0.050 0.000 1.013 280 F HN 0.068 nan 8.300 nan 0.000 0.486 281 S N -0.397 115.452 115.700 0.249 0.000 2.368 281 S HA -0.270 4.200 4.470 -0.001 0.000 0.225 281 S C 2.137 176.663 174.600 -0.124 0.000 1.030 281 S CA 1.470 59.749 58.200 0.131 0.000 0.999 281 S CB -0.309 63.061 63.200 0.284 0.000 0.844 281 S HN 0.393 nan 8.310 nan 0.000 0.459 282 Q N 0.999 120.743 119.800 -0.092 0.000 2.224 282 Q HA -0.008 4.331 4.340 -0.001 0.000 0.203 282 Q C 2.090 178.012 176.000 -0.130 0.000 0.970 282 Q CA 1.577 57.261 55.803 -0.198 0.000 0.865 282 Q CB -0.378 28.328 28.738 -0.052 0.000 0.922 282 Q HN 0.666 nan 8.270 nan 0.000 0.445 283 Q N -1.059 118.716 119.800 -0.043 0.000 2.050 283 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 283 Q C 2.056 178.046 176.000 -0.017 0.000 0.980 283 Q CA 1.775 57.574 55.803 -0.006 0.000 0.840 283 Q CB -0.040 28.733 28.738 0.057 0.000 0.898 283 Q HN 0.272 nan 8.270 nan 0.000 0.424 284 V N 0.900 120.804 119.914 -0.017 0.000 2.427 284 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 284 V C 2.240 178.298 176.094 -0.060 0.000 1.051 284 V CA 1.720 64.011 62.300 -0.016 0.000 1.048 284 V CB -0.898 30.932 31.823 0.011 0.000 0.666 284 V HN 0.387 nan 8.190 nan 0.000 0.456 285 A N -0.092 122.631 122.820 -0.161 0.000 1.902 285 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 285 A C 1.995 179.526 177.584 -0.089 0.000 1.181 285 A CA 2.057 53.982 52.037 -0.187 0.000 0.623 285 A CB -0.586 18.113 19.000 -0.502 0.000 0.818 285 A HN 0.531 nan 8.150 nan 0.000 0.443 286 D N 0.089 120.440 120.400 -0.082 0.000 2.084 286 D HA -0.043 4.596 4.640 -0.001 0.000 0.194 286 D C 2.299 178.589 176.300 -0.016 0.000 0.990 286 D CA 1.669 55.648 54.000 -0.036 0.000 0.826 286 D CB -0.614 40.168 40.800 -0.030 0.000 0.971 286 D HN 0.387 nan 8.370 nan 0.000 0.453 287 A N 0.432 123.245 122.820 -0.012 0.000 1.948 287 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 287 A C 2.202 179.789 177.584 0.004 0.000 1.177 287 A CA 1.163 53.200 52.037 0.001 0.000 0.636 287 A CB -0.621 18.384 19.000 0.008 0.000 0.815 287 A HN 0.273 nan 8.150 nan 0.000 0.449 288 L N -1.216 120.009 121.223 0.004 0.000 2.640 288 L HA 0.250 4.590 4.340 -0.001 0.000 0.230 288 L C 1.274 178.155 176.870 0.018 0.000 1.123 288 L CA 0.198 55.047 54.840 0.015 0.000 0.900 288 L CB -0.303 41.771 42.059 0.024 0.000 1.146 288 L HN 0.512 nan 8.230 nan 0.000 0.484 289 G N 2.383 111.188 108.800 0.009 0.000 2.325 289 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.274 289 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.274 289 G C 0.261 175.179 174.900 0.030 0.000 0.921 289 G CA 0.628 45.737 45.100 0.015 0.000 1.340 289 G HN 0.409 nan 8.290 nan 0.000 0.447 290 T N -1.665 112.911 114.554 0.037 0.000 2.938 290 T HA 0.584 4.934 4.350 -0.001 0.000 0.285 290 T C 0.234 175.000 174.700 0.111 0.000 1.028 290 T CA -0.573 61.566 62.100 0.064 0.000 1.005 290 T CB 1.728 70.627 68.868 0.052 0.000 1.157 290 T HN 0.564 nan 8.240 nan 0.000 0.550 291 H N 0.903 119.958 119.070 -0.025 0.000 3.109 291 H HA 0.207 4.762 4.556 -0.001 0.000 0.266 291 H C -0.442 174.825 175.328 -0.102 0.000 1.334 291 H CA -0.525 55.488 56.048 -0.059 0.000 1.456 291 H CB -0.282 29.431 29.762 -0.081 0.000 1.587 291 H HN 0.646 nan 8.280 nan 0.000 0.500 292 H N 3.626 122.642 119.070 -0.091 0.000 2.481 292 H HA 0.278 4.833 4.556 -0.001 0.000 0.339 292 H C -0.815 174.337 175.328 -0.294 0.000 1.131 292 H CA -0.131 55.784 56.048 -0.222 0.000 1.301 292 H CB 0.869 30.562 29.762 -0.115 0.000 1.476 292 H HN 0.708 nan 8.280 nan 0.000 0.529 293 Q N 3.840 123.057 119.800 -0.971 0.000 2.309 293 Q HA 0.355 4.695 4.340 -0.001 0.000 0.273 293 Q C -1.105 174.446 176.000 -0.749 0.000 1.040 293 Q CA -0.899 54.480 55.803 -0.707 0.000 0.834 293 Q CB 2.826 31.238 28.738 -0.544 0.000 1.345 293 Q HN 0.699 nan 8.270 nan 0.000 0.414 294 M N 0.147 119.397 119.600 -0.583 0.000 2.602 294 M HA 0.733 5.212 4.480 -0.001 0.000 0.312 294 M C -1.086 175.001 176.300 -0.355 0.000 1.181 294 M CA -0.960 53.953 55.300 -0.646 0.000 0.910 294 M CB 2.594 34.487 32.600 -1.178 0.000 1.723 294 M HN 0.192 nan 8.290 nan 0.000 0.459 295 K N 2.817 123.135 120.400 -0.136 0.000 2.535 295 K HA 0.472 4.792 4.320 -0.001 0.000 0.251 295 K C -2.067 174.693 176.600 0.268 0.000 0.942 295 K CA -0.451 55.869 56.287 0.054 0.000 0.798 295 K CB 2.294 34.818 32.500 0.039 0.000 1.267 295 K HN 0.832 nan 8.250 nan 0.000 0.434 296 I N 5.488 126.190 120.570 0.220 0.000 2.365 296 I HA 0.317 4.487 4.170 -0.001 0.000 0.291 296 I C 0.276 176.460 176.117 0.112 0.000 1.004 296 I CA -0.761 60.663 61.300 0.207 0.000 1.311 296 I CB 1.031 39.134 38.000 0.171 0.000 1.401 296 I HN 0.450 nan 8.210 nan 0.000 0.491 297 L N 5.662 126.936 121.223 0.084 0.000 2.309 297 L HA 0.389 4.729 4.340 -0.001 0.000 0.282 297 L C 0.749 177.643 176.870 0.041 0.000 1.036 297 L CA -0.488 54.385 54.840 0.055 0.000 0.806 297 L CB 1.555 43.641 42.059 0.046 0.000 1.220 297 L HN 0.662 nan 8.230 nan 0.000 0.429 298 S N 0.629 116.351 115.700 0.037 0.000 2.669 298 S HA 0.220 4.689 4.470 -0.001 0.000 0.270 298 S C 0.770 175.385 174.600 0.025 0.000 1.225 298 S CA -0.683 57.535 58.200 0.030 0.000 0.991 298 S CB 1.381 64.599 63.200 0.030 0.000 0.987 298 S HN 0.699 nan 8.310 nan 0.000 0.552 299 E N 0.509 120.721 120.200 0.021 0.000 2.085 299 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 299 E C 1.860 178.472 176.600 0.020 0.000 0.994 299 E CA 1.751 58.163 56.400 0.019 0.000 0.801 299 E CB -0.530 29.180 29.700 0.016 0.000 0.743 299 E HN 0.778 nan 8.360 nan 0.000 0.453 300 T N 0.966 115.535 114.554 0.024 0.000 2.720 300 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 300 T C 1.580 176.301 174.700 0.035 0.000 1.037 300 T CA 1.438 63.556 62.100 0.030 0.000 1.144 300 T CB -0.173 68.715 68.868 0.032 0.000 0.864 300 T HN 0.252 nan 8.240 nan 0.000 0.444 301 E N 0.230 120.451 120.200 0.035 0.000 2.107 301 E HA -0.039 4.310 4.350 -0.001 0.000 0.191 301 E C 2.355 178.971 176.600 0.027 0.000 0.982 301 E CA 0.585 57.009 56.400 0.040 0.000 0.809 301 E CB -0.139 29.585 29.700 0.041 0.000 0.756 301 E HN 0.222 nan 8.360 nan 0.000 0.459 302 V N 1.656 121.578 119.914 0.013 0.000 2.295 302 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 302 V C 2.164 178.226 176.094 -0.054 0.000 1.049 302 V CA 1.254 63.546 62.300 -0.013 0.000 1.024 302 V CB -0.303 31.517 31.823 -0.006 0.000 0.648 302 V HN 0.298 nan 8.190 nan 0.000 0.447 303 I N 0.583 121.131 120.570 -0.037 0.000 2.252 303 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 303 I C 2.311 178.432 176.117 0.007 0.000 1.102 303 I CA 1.775 63.046 61.300 -0.047 0.000 1.385 303 I CB -1.699 36.305 38.000 0.007 0.000 1.064 303 I HN 0.421 nan 8.210 nan 0.000 0.414 304 N N 1.284 120.006 118.700 0.037 0.000 2.166 304 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 304 N C 1.979 177.527 175.510 0.064 0.000 1.019 304 N CA 1.562 54.655 53.050 0.071 0.000 0.856 304 N CB -0.267 38.269 38.487 0.083 0.000 0.993 304 N HN 0.321 nan 8.380 nan 0.000 0.426 305 G N 0.027 108.846 108.800 0.033 0.000 2.422 305 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.218 305 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.218 305 G C 1.513 176.348 174.900 -0.107 0.000 1.140 305 G CA 0.491 45.606 45.100 0.025 0.000 0.775 305 G HN 0.322 nan 8.290 nan 0.000 0.545 306 I N 1.441 121.942 120.570 -0.115 0.000 2.162 306 I HA -0.097 4.073 4.170 -0.001 0.000 0.238 306 I C 2.723 178.801 176.117 -0.066 0.000 1.076 306 I CA 1.151 62.353 61.300 -0.163 0.000 1.353 306 I CB -0.254 37.568 38.000 -0.296 0.000 1.063 306 I HN 0.265 nan 8.210 nan 0.000 0.408 307 I N -1.397 119.207 120.570 0.058 0.000 2.700 307 I HA -0.182 3.987 4.170 -0.001 0.000 0.261 307 I C 1.972 178.185 176.117 0.159 0.000 1.219 307 I CA 1.489 62.905 61.300 0.193 0.000 1.463 307 I CB -0.525 37.633 38.000 0.263 0.000 1.092 307 I HN 0.310 nan 8.210 nan 0.000 0.452 308 E N 1.771 121.959 120.200 -0.020 0.000 2.076 308 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 308 E C 2.479 178.897 176.600 -0.304 0.000 0.979 308 E CA 1.442 57.789 56.400 -0.088 0.000 0.807 308 E CB 0.045 29.848 29.700 0.171 0.000 0.761 308 E HN 0.717 nan 8.360 nan 0.000 0.454 309 S N 0.767 116.010 115.700 -0.762 0.000 2.423 309 S HA -0.111 4.358 4.470 -0.001 0.000 0.231 309 S C 2.022 176.520 174.600 -0.170 0.000 1.014 309 S CA 0.576 58.223 58.200 -0.922 0.000 0.965 309 S CB -0.389 62.345 63.200 -0.776 0.000 0.785 309 S HN 0.149 nan 8.310 nan 0.000 0.495 310 I N 0.044 120.590 120.570 -0.041 0.000 2.163 310 I HA -0.105 4.064 4.170 -0.001 0.000 0.240 310 I C 2.538 178.753 176.117 0.163 0.000 1.081 310 I CA 1.807 63.206 61.300 0.163 0.000 1.353 310 I CB -0.507 37.659 38.000 0.277 0.000 1.054 310 I HN 0.303 nan 8.210 nan 0.000 0.407 311 Y N 0.865 121.065 120.300 -0.166 0.000 2.114 311 Y HA -0.339 4.211 4.550 -0.001 0.000 0.284 311 Y C 2.469 178.205 175.900 -0.273 0.000 1.143 311 Y CA 1.787 59.563 58.100 -0.541 0.000 1.135 311 Y CB -0.459 37.182 38.460 -1.364 0.000 0.980 311 Y HN 0.041 nan 8.280 nan 0.000 0.499 312 Y N 0.037 120.406 120.300 0.116 0.000 2.153 312 Y HA -0.137 4.413 4.550 -0.001 0.000 0.289 312 Y C 2.004 178.042 175.900 0.229 0.000 1.127 312 Y CA 1.711 59.925 58.100 0.190 0.000 1.131 312 Y CB -0.822 37.935 38.460 0.494 0.000 0.995 312 Y HN 0.152 nan 8.280 nan 0.000 0.505 313 N N 0.182 119.146 118.700 0.440 0.000 2.322 313 N HA 0.000 4.740 4.740 -0.001 0.000 0.194 313 N C -0.505 175.182 175.510 0.295 0.000 1.126 313 N CA 0.266 53.547 53.050 0.385 0.000 0.845 313 N CB -0.308 38.383 38.487 0.340 0.000 0.976 313 N HN 0.231 nan 8.380 nan 0.000 0.475 314 E N 0.185 120.533 120.200 0.247 0.000 2.222 314 E HA -0.212 4.137 4.350 -0.001 0.000 0.189 314 E C -0.840 176.038 176.600 0.463 0.000 1.415 314 E CA 0.314 56.926 56.400 0.353 0.000 0.689 314 E CB -1.257 28.613 29.700 0.284 0.000 1.107 314 E HN 0.427 nan 8.360 nan 0.000 0.350 315 I N 1.270 122.028 120.570 0.313 0.000 2.359 315 I HA 0.191 4.360 4.170 -0.001 0.000 0.294 315 I C 0.995 177.125 176.117 0.023 0.000 0.987 315 I CA -0.578 60.757 61.300 0.058 0.000 1.225 315 I CB 0.640 38.630 38.000 -0.017 0.000 1.366 315 I HN 0.192 nan 8.210 nan 0.000 0.466 316 F N 1.220 121.083 119.950 -0.145 0.000 2.728 316 F HA 0.386 4.913 4.527 -0.001 0.000 0.314 316 F C 0.439 176.244 175.800 0.009 0.000 1.094 316 F CA -0.817 57.030 58.000 -0.255 0.000 1.217 316 F CB -0.276 38.267 39.000 -0.763 0.000 1.056 316 F HN 0.259 nan 8.300 nan 0.000 0.577 317 D N 1.351 121.568 120.400 -0.305 0.000 2.351 317 D HA 0.341 4.981 4.640 -0.001 0.000 0.251 317 D C 1.553 177.894 176.300 0.069 0.000 1.137 317 D CA 0.430 54.398 54.000 -0.054 0.000 0.879 317 D CB 1.850 42.550 40.800 -0.167 0.000 1.181 317 D HN 0.184 nan 8.370 nan 0.000 0.448 318 G N 2.944 111.863 108.800 0.198 0.000 2.421 318 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.216 318 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.216 318 G C 1.301 176.406 174.900 0.341 0.000 1.171 318 G CA 0.585 45.882 45.100 0.329 0.000 0.775 318 G HN 0.520 nan 8.290 nan 0.000 0.543 319 L N 1.219 122.588 121.223 0.243 0.000 2.083 319 L HA 0.024 4.364 4.340 -0.001 0.000 0.209 319 L C 2.786 179.602 176.870 -0.089 0.000 1.083 319 L CA 2.304 57.167 54.840 0.039 0.000 0.752 319 L CB -0.685 41.193 42.059 -0.302 0.000 0.899 319 L HN 0.168 nan 8.230 nan 0.000 0.433 320 S N -0.186 115.443 115.700 -0.118 0.000 2.355 320 S HA -0.060 4.410 4.470 -0.001 0.000 0.222 320 S C 2.101 176.639 174.600 -0.103 0.000 1.031 320 S CA 0.997 59.093 58.200 -0.172 0.000 0.993 320 S CB -0.565 62.482 63.200 -0.255 0.000 0.859 320 S HN 0.670 nan 8.310 nan 0.000 0.453 321 A N 1.491 124.282 122.820 -0.048 0.000 1.902 321 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 321 A C 2.030 179.563 177.584 -0.084 0.000 1.181 321 A CA 1.839 53.845 52.037 -0.053 0.000 0.623 321 A CB -0.646 18.361 19.000 0.012 0.000 0.818 321 A HN 0.617 nan 8.150 nan 0.000 0.443 322 E N -0.080 120.106 120.200 -0.024 0.000 2.051 322 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 322 E C 1.878 178.459 176.600 -0.033 0.000 0.991 322 E CA 1.412 57.797 56.400 -0.024 0.000 0.799 322 E CB -0.258 29.585 29.700 0.239 0.000 0.748 322 E HN 0.646 nan 8.360 nan 0.000 0.449 323 I N 0.961 121.469 120.570 -0.103 0.000 2.286 323 I HA -0.268 3.902 4.170 -0.001 0.000 0.248 323 I C 2.424 178.544 176.117 0.006 0.000 1.115 323 I CA 0.913 62.147 61.300 -0.110 0.000 1.392 323 I CB -0.325 37.548 38.000 -0.212 0.000 1.065 323 I HN 0.233 nan 8.210 nan 0.000 0.418 324 Q N -0.020 119.782 119.800 0.003 0.000 2.291 324 Q HA -0.136 4.204 4.340 -0.001 0.000 0.205 324 Q C 2.277 178.344 176.000 0.112 0.000 0.970 324 Q CA 1.040 56.900 55.803 0.094 0.000 0.876 324 Q CB -0.413 28.384 28.738 0.098 0.000 0.935 324 Q HN 0.405 nan 8.270 nan 0.000 0.455 325 S N 0.464 116.167 115.700 0.004 0.000 2.359 325 S HA -0.191 4.279 4.470 -0.001 0.000 0.222 325 S C 1.980 176.596 174.600 0.027 0.000 1.038 325 S CA 1.771 59.968 58.200 -0.005 0.000 1.051 325 S CB -0.554 62.610 63.200 -0.061 0.000 0.944 325 S HN 0.574 nan 8.310 nan 0.000 0.433 326 G N 1.645 110.455 108.800 0.016 0.000 2.491 326 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.218 326 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.218 326 G C 1.462 176.305 174.900 -0.096 0.000 1.180 326 G CA 1.169 46.265 45.100 -0.006 0.000 0.774 326 G HN 0.527 nan 8.290 nan 0.000 0.562 327 L N -0.984 120.159 121.223 -0.133 0.000 2.042 327 L HA -0.036 4.304 4.340 -0.001 0.000 0.210 327 L C 2.750 179.026 176.870 -0.990 0.000 1.076 327 L CA 1.005 55.565 54.840 -0.467 0.000 0.749 327 L CB -0.463 41.407 42.059 -0.315 0.000 0.893 327 L HN 0.170 nan 8.230 nan 0.000 0.432 328 F N 0.057 119.644 119.950 -0.604 0.000 2.293 328 F HA -0.172 4.354 4.527 -0.001 0.000 0.300 328 F C 2.477 178.065 175.800 -0.353 0.000 1.086 328 F CA 1.017 58.782 58.000 -0.392 0.000 1.375 328 F CB -0.218 38.793 39.000 0.018 0.000 1.045 328 F HN 0.179 nan 8.300 nan 0.000 0.516 329 N N -0.142 118.480 118.700 -0.130 0.000 2.300 329 N HA -0.098 4.641 4.740 -0.001 0.000 0.179 329 N C 2.050 177.423 175.510 -0.227 0.000 1.016 329 N CA 0.908 53.887 53.050 -0.119 0.000 0.876 329 N CB -0.159 38.305 38.487 -0.039 0.000 0.979 329 N HN 0.112 nan 8.380 nan 0.000 0.432 330 V N 1.323 121.043 119.914 -0.323 0.000 2.343 330 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 330 V C 1.845 177.684 176.094 -0.425 0.000 1.051 330 V CA 1.422 63.517 62.300 -0.341 0.000 1.036 330 V CB -0.730 30.892 31.823 -0.334 0.000 0.654 330 V HN 0.206 nan 8.190 nan 0.000 0.451 331 Y N 0.482 120.496 120.300 -0.478 0.000 2.165 331 Y HA -0.218 4.331 4.550 -0.001 0.000 0.286 331 Y C 2.618 178.053 175.900 -0.774 0.000 1.155 331 Y CA 1.574 59.292 58.100 -0.637 0.000 1.164 331 Y CB -0.950 37.065 38.460 -0.741 0.000 0.978 331 Y HN 0.170 nan 8.280 nan 0.000 0.513 332 R N 0.157 120.249 120.500 -0.679 0.000 2.081 332 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 332 R C 2.058 178.232 176.300 -0.210 0.000 1.131 332 R CA 1.356 57.151 56.100 -0.507 0.000 0.960 332 R CB 0.003 30.137 30.300 -0.276 0.000 0.856 332 R HN 0.290 nan 8.270 nan 0.000 0.436 333 Q N -0.329 119.347 119.800 -0.207 0.000 2.167 333 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 333 Q C 1.773 177.705 176.000 -0.114 0.000 0.970 333 Q CA 1.581 57.323 55.803 -0.102 0.000 0.855 333 Q CB -0.019 28.696 28.738 -0.039 0.000 0.911 333 Q HN 0.425 nan 8.270 nan 0.000 0.438 334 A N 0.581 123.161 122.820 -0.400 0.000 2.218 334 A HA -0.030 4.290 4.320 -0.001 0.000 0.209 334 A C 1.130 178.636 177.584 -0.130 0.000 1.168 334 A CA -0.207 51.580 52.037 -0.417 0.000 0.804 334 A CB -0.166 18.267 19.000 -0.944 0.000 0.834 334 A HN 0.327 nan 8.150 nan 0.000 0.482 335 Q N -0.092 119.656 119.800 -0.087 0.000 2.269 335 Q HA 0.252 4.591 4.340 -0.001 0.000 0.300 335 Q C 1.159 177.188 176.000 0.048 0.000 1.070 335 Q CA 1.027 56.846 55.803 0.028 0.000 0.957 335 Q CB -0.063 28.763 28.738 0.146 0.000 1.131 335 Q HN 0.934 nan 8.270 nan 0.000 0.377 336 G N 3.304 112.133 108.800 0.048 0.000 2.234 336 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.260 336 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.260 336 G C 0.665 175.603 174.900 0.064 0.000 0.987 336 G CA 0.633 45.767 45.100 0.056 0.000 0.625 336 G HN 0.705 nan 8.290 nan 0.000 0.532 337 Q N -0.631 119.211 119.800 0.070 0.000 2.349 337 Q HA 0.469 4.809 4.340 -0.001 0.000 0.209 337 Q C 1.218 177.271 176.000 0.088 0.000 0.920 337 Q CA 1.274 57.141 55.803 0.105 0.000 0.901 337 Q CB 0.954 29.796 28.738 0.172 0.000 1.021 337 Q HN 1.108 nan 8.270 nan 0.000 0.519 338 V N -4.569 115.369 119.914 0.039 0.000 3.182 338 V HA 0.543 4.663 4.120 -0.001 0.000 0.308 338 V C -0.243 175.813 176.094 -0.063 0.000 1.240 338 V CA -0.780 61.512 62.300 -0.014 0.000 1.063 338 V CB 2.119 33.915 31.823 -0.044 0.000 1.076 338 V HN -0.108 nan 8.190 nan 0.000 0.446 339 S N -0.579 115.039 115.700 -0.137 0.000 2.733 339 S HA 0.398 4.868 4.470 -0.001 0.000 0.247 339 S C -0.124 174.255 174.600 -0.368 0.000 1.043 339 S CA 0.447 58.567 58.200 -0.134 0.000 1.066 339 S CB 0.417 63.667 63.200 0.083 0.000 1.045 339 S HN 1.169 nan 8.310 nan 0.000 0.586 340 C N 1.935 120.911 119.300 -0.539 0.000 2.880 340 C HA 0.765 5.225 4.460 -0.001 0.000 0.320 340 C C -1.684 173.034 174.990 -0.453 0.000 1.176 340 C CA -0.564 58.063 59.018 -0.653 0.000 1.390 340 C CB 0.903 27.879 27.740 -1.273 0.000 1.846 340 C HN 0.431 nan 8.230 nan 0.000 0.478 341 M N 5.166 124.547 119.600 -0.366 0.000 2.501 341 M HA 0.587 5.067 4.480 -0.001 0.000 0.293 341 M C -1.382 174.784 176.300 -0.223 0.000 1.192 341 M CA -0.447 54.705 55.300 -0.247 0.000 0.886 341 M CB 2.075 34.580 32.600 -0.159 0.000 1.710 341 M HN 0.476 nan 8.290 nan 0.000 0.457 342 L N 1.072 122.217 121.223 -0.131 0.000 2.354 342 L HA 0.850 5.189 4.340 -0.001 0.000 0.269 342 L C 0.055 176.967 176.870 0.070 0.000 1.005 342 L CA -0.624 54.183 54.840 -0.055 0.000 0.819 342 L CB 2.247 44.286 42.059 -0.033 0.000 1.311 342 L HN 0.827 nan 8.230 nan 0.000 0.423 343 T N -2.517 112.147 114.554 0.184 0.000 2.804 343 T HA 0.539 4.888 4.350 -0.001 0.000 0.290 343 T C 0.363 175.298 174.700 0.392 0.000 1.099 343 T CA -0.150 62.127 62.100 0.294 0.000 1.011 343 T CB 1.820 70.941 68.868 0.422 0.000 1.291 343 T HN 0.623 nan 8.240 nan 0.000 0.523 344 G N -0.613 108.395 108.800 0.346 0.000 3.502 344 G HA2 0.231 4.191 3.960 -0.001 0.000 0.267 344 G HA3 0.231 4.191 3.960 -0.001 0.000 0.267 344 G C -0.226 174.764 174.900 0.149 0.000 1.090 344 G CA -0.449 44.847 45.100 0.327 0.000 0.795 344 G HN 0.696 nan 8.290 nan 0.000 0.535 345 Y N 1.027 121.410 120.300 0.139 0.000 2.712 345 Y HA 0.284 4.834 4.550 -0.001 0.000 0.333 345 Y C 1.604 177.485 175.900 -0.033 0.000 1.225 345 Y CA 1.660 59.743 58.100 -0.027 0.000 1.499 345 Y CB 0.885 39.249 38.460 -0.161 0.000 1.288 345 Y HN 0.320 nan 8.280 nan 0.000 0.575 346 G N 2.459 111.066 108.800 -0.322 0.000 2.205 346 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.261 346 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.261 346 G C 1.403 176.364 174.900 0.102 0.000 0.980 346 G CA 0.867 45.915 45.100 -0.087 0.000 0.632 346 G HN 0.831 nan 8.290 nan 0.000 0.533 347 S N 0.150 115.722 115.700 -0.212 0.000 2.383 347 S HA -0.106 4.364 4.470 -0.001 0.000 0.229 347 S C 1.890 176.467 174.600 -0.039 0.000 1.030 347 S CA 1.939 59.908 58.200 -0.384 0.000 1.002 347 S CB -0.287 62.172 63.200 -1.235 0.000 0.829 347 S HN 0.500 nan 8.310 nan 0.000 0.467 348 D N 0.909 121.251 120.400 -0.097 0.000 2.310 348 D HA -0.007 4.633 4.640 -0.001 0.000 0.212 348 D C 1.647 177.950 176.300 0.006 0.000 0.965 348 D CA 0.641 54.621 54.000 -0.034 0.000 0.879 348 D CB -0.093 40.654 40.800 -0.089 0.000 0.921 348 D HN 0.446 nan 8.370 nan 0.000 0.510 349 L N -0.170 121.076 121.223 0.040 0.000 2.418 349 L HA 0.051 4.391 4.340 -0.001 0.000 0.218 349 L C 2.158 179.070 176.870 0.069 0.000 1.125 349 L CA 0.298 55.188 54.840 0.084 0.000 0.835 349 L CB 0.038 42.215 42.059 0.196 0.000 0.953 349 L HN -0.001 nan 8.230 nan 0.000 0.454 350 L N -2.100 119.143 121.223 0.033 0.000 2.316 350 L HA 0.063 4.403 4.340 -0.001 0.000 0.207 350 L C 1.569 178.228 176.870 -0.353 0.000 1.070 350 L CA 0.583 55.303 54.840 -0.200 0.000 0.820 350 L CB -0.083 41.775 42.059 -0.335 0.000 0.992 350 L HN 0.083 nan 8.230 nan 0.000 0.466 351 F N -0.160 119.825 119.950 0.058 0.000 2.695 351 F HA 0.371 4.898 4.527 -0.001 0.000 0.303 351 F C 1.553 177.379 175.800 0.043 0.000 1.091 351 F CA 0.437 58.473 58.000 0.059 0.000 1.300 351 F CB 0.629 39.672 39.000 0.070 0.000 1.071 351 F HN 0.111 nan 8.300 nan 0.000 0.578 352 G N -0.202 108.681 108.800 0.138 0.000 2.184 352 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.206 352 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.206 352 G C 1.489 176.427 174.900 0.063 0.000 0.995 352 G CA 0.024 45.174 45.100 0.082 0.000 0.651 352 G HN 0.557 nan 8.290 nan 0.000 0.511 353 G N 1.434 110.272 108.800 0.063 0.000 2.475 353 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.220 353 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.220 353 G C 1.711 176.613 174.900 0.002 0.000 1.125 353 G CA 1.578 46.692 45.100 0.023 0.000 0.755 353 G HN 1.411 nan 8.290 nan 0.000 0.565 354 I N -1.329 119.233 120.570 -0.013 0.000 3.564 354 I HA 0.365 4.535 4.170 -0.001 0.000 0.294 354 I C 0.452 176.566 176.117 -0.005 0.000 1.289 354 I CA -0.323 60.965 61.300 -0.020 0.000 1.325 354 I CB -0.137 37.838 38.000 -0.042 0.000 1.039 354 I HN -0.086 nan 8.210 nan 0.000 0.474 355 L N 1.620 122.846 121.223 0.006 0.000 2.399 355 L HA 0.371 4.711 4.340 -0.001 0.000 0.266 355 L C 0.239 177.209 176.870 0.167 0.000 1.114 355 L CA -0.721 54.153 54.840 0.056 0.000 0.804 355 L CB 0.862 42.928 42.059 0.012 0.000 1.146 355 L HN 0.025 nan 8.230 nan 0.000 0.451 356 K N 3.492 124.072 120.400 0.301 0.000 2.276 356 K HA 0.315 4.634 4.320 -0.001 0.000 0.285 356 K C -2.479 174.215 176.600 0.156 0.000 1.062 356 K CA -1.636 54.761 56.287 0.183 0.000 0.918 356 K CB 0.969 33.553 32.500 0.140 0.000 1.055 356 K HN 0.060 nan 8.250 nan 0.000 0.477 357 P HA 0.034 nan 4.420 nan 0.000 0.264 357 P C 0.427 177.760 177.300 0.055 0.000 1.183 357 P CA 0.972 64.127 63.100 0.092 0.000 0.763 357 P CB 0.706 32.452 31.700 0.075 0.000 0.807 358 G N 1.646 110.475 108.800 0.047 0.000 2.257 358 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.267 358 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.267 358 G C 0.509 175.390 174.900 -0.031 0.000 0.984 358 G CA 0.217 45.318 45.100 0.001 0.000 0.626 358 G HN 0.879 nan 8.290 nan 0.000 0.540 359 A N -0.431 122.361 122.820 -0.047 0.000 2.371 359 A HA 0.723 5.043 4.320 -0.001 0.000 0.257 359 A C 0.327 177.756 177.584 -0.258 0.000 1.089 359 A CA 0.242 52.169 52.037 -0.184 0.000 0.794 359 A CB 0.502 19.331 19.000 -0.285 0.000 1.029 359 A HN 0.438 nan 8.150 nan 0.000 0.488 360 Q N 0.052 119.672 119.800 -0.300 0.000 2.261 360 Q HA 0.536 4.875 4.340 -0.001 0.000 0.252 360 Q C -1.781 173.993 176.000 -0.376 0.000 0.915 360 Q CA 0.599 56.273 55.803 -0.215 0.000 0.915 360 Q CB 0.999 29.668 28.738 -0.116 0.000 1.204 360 Q HN 0.611 nan 8.270 nan 0.000 0.421 361 Y N 0.876 121.187 120.300 0.019 0.000 2.406 361 Y HA 0.222 4.772 4.550 -0.001 0.000 0.340 361 Y C 0.436 176.339 175.900 0.006 0.000 0.975 361 Y CA -0.883 57.225 58.100 0.013 0.000 1.056 361 Y CB 1.908 40.378 38.460 0.016 0.000 1.210 361 Y HN 0.688 nan 8.280 nan 0.000 0.448 362 D N 0.942 121.447 120.400 0.175 0.000 2.097 362 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 362 D C 0.245 176.588 176.300 0.072 0.000 0.984 362 D CA 1.462 55.517 54.000 0.091 0.000 0.826 362 D CB 0.394 41.233 40.800 0.065 0.000 0.973 362 D HN 0.314 nan 8.370 nan 0.000 0.460 363 N N -0.014 118.731 118.700 0.074 0.000 2.726 363 N HA 0.090 4.830 4.740 -0.001 0.000 0.253 363 N C -2.047 173.443 175.510 -0.034 0.000 1.530 363 N CA -1.400 51.656 53.050 0.009 0.000 0.772 363 N CB 1.475 39.958 38.487 -0.007 0.000 1.220 363 N HN -0.168 nan 8.380 nan 0.000 0.508 364 P HA -0.145 nan 4.420 nan 0.000 0.214 364 P C 0.912 178.116 177.300 -0.161 0.000 1.163 364 P CA 1.225 64.209 63.100 -0.193 0.000 0.889 364 P CB 0.494 32.105 31.700 -0.149 0.000 0.790 365 N N -0.052 118.574 118.700 -0.124 0.000 2.137 365 N HA -0.187 4.552 4.740 -0.001 0.000 0.190 365 N C 2.024 177.451 175.510 -0.138 0.000 1.017 365 N CA 1.065 54.030 53.050 -0.143 0.000 0.859 365 N CB -0.892 37.488 38.487 -0.179 0.000 1.002 365 N HN 0.408 nan 8.380 nan 0.000 0.428 366 Q N -0.074 119.661 119.800 -0.109 0.000 2.119 366 Q HA -0.085 4.255 4.340 -0.001 0.000 0.201 366 Q C 1.792 177.760 176.000 -0.054 0.000 0.972 366 Q CA 0.804 56.564 55.803 -0.073 0.000 0.847 366 Q CB -0.039 28.669 28.738 -0.050 0.000 0.903 366 Q HN 0.173 nan 8.270 nan 0.000 0.433 367 L N 0.601 121.777 121.223 -0.078 0.000 2.017 367 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 367 L C 2.220 179.053 176.870 -0.060 0.000 1.073 367 L CA 1.506 56.298 54.840 -0.079 0.000 0.745 367 L CB -0.545 41.420 42.059 -0.157 0.000 0.894 367 L HN 0.273 nan 8.230 nan 0.000 0.432 368 L N -1.491 119.686 121.223 -0.076 0.000 2.056 368 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 368 L C 2.648 179.534 176.870 0.027 0.000 1.078 368 L CA 1.106 55.925 54.840 -0.035 0.000 0.749 368 L CB -0.968 41.059 42.059 -0.055 0.000 0.901 368 L HN 0.275 nan 8.230 nan 0.000 0.433 369 A N 0.169 123.003 122.820 0.023 0.000 1.883 369 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 369 A C 2.184 179.850 177.584 0.137 0.000 1.186 369 A CA 1.964 54.063 52.037 0.102 0.000 0.624 369 A CB -0.539 18.520 19.000 0.100 0.000 0.822 369 A HN 0.462 nan 8.150 nan 0.000 0.444 370 E N -0.776 119.473 120.200 0.082 0.000 2.085 370 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 370 E C 2.355 179.047 176.600 0.154 0.000 0.994 370 E CA 1.319 57.777 56.400 0.096 0.000 0.801 370 E CB -0.123 29.603 29.700 0.043 0.000 0.743 370 E HN 0.542 nan 8.360 nan 0.000 0.453 371 Q N 0.177 120.039 119.800 0.103 0.000 2.050 371 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 371 Q C 2.460 178.553 176.000 0.155 0.000 0.980 371 Q CA 0.917 56.771 55.803 0.084 0.000 0.840 371 Q CB -0.568 28.190 28.738 0.033 0.000 0.898 371 Q HN 0.214 nan 8.270 nan 0.000 0.424 372 V N 0.533 120.587 119.914 0.233 0.000 2.287 372 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 372 V C 2.126 178.428 176.094 0.348 0.000 1.053 372 V CA 2.040 64.567 62.300 0.379 0.000 1.027 372 V CB -0.788 31.208 31.823 0.289 0.000 0.646 372 V HN 0.310 nan 8.190 nan 0.000 0.447 373 Y N 0.975 121.372 120.300 0.160 0.000 2.181 373 Y HA -0.254 4.295 4.550 -0.001 0.000 0.288 373 Y C 2.775 178.750 175.900 0.125 0.000 1.146 373 Y CA 2.184 60.372 58.100 0.147 0.000 1.164 373 Y CB -0.263 38.278 38.460 0.134 0.000 0.982 373 Y HN 0.062 nan 8.280 nan 0.000 0.515 374 R N -0.140 120.516 120.500 0.260 0.000 2.170 374 R HA -0.173 4.167 4.340 -0.001 0.000 0.242 374 R C 2.027 178.040 176.300 -0.478 0.000 1.145 374 R CA 1.904 57.989 56.100 -0.026 0.000 0.984 374 R CB -0.530 29.756 30.300 -0.023 0.000 0.869 374 R HN 0.578 nan 8.270 nan 0.000 0.455 375 T N -2.278 112.155 114.554 -0.202 0.000 3.007 375 T HA -0.063 4.286 4.350 -0.001 0.000 0.270 375 T C 1.661 176.288 174.700 -0.122 0.000 1.107 375 T CA 0.735 62.720 62.100 -0.191 0.000 1.118 375 T CB -0.212 68.722 68.868 0.109 0.000 0.889 375 T HN 0.338 nan 8.240 nan 0.000 0.506 376 R N 0.298 120.718 120.500 -0.134 0.000 2.120 376 R HA 0.019 4.358 4.340 -0.001 0.000 0.234 376 R C 2.259 178.582 176.300 0.039 0.000 1.123 376 R CA 1.729 57.784 56.100 -0.075 0.000 0.975 376 R CB -0.222 29.952 30.300 -0.211 0.000 0.866 376 R HN 0.816 nan 8.270 nan 0.000 0.446 377 W N -0.147 121.144 121.300 -0.014 0.000 2.975 377 W HA 0.162 4.822 4.660 -0.001 0.000 0.316 377 W C 0.974 177.506 176.519 0.022 0.000 1.131 377 W CA 0.594 57.973 57.345 0.056 0.000 1.624 377 W CB -0.447 29.094 29.460 0.135 0.000 1.038 377 W HN -0.081 nan 8.180 nan 0.000 0.571 378 T N -1.117 113.187 114.554 -0.417 0.000 2.821 378 T HA 0.124 4.474 4.350 -0.001 0.000 0.267 378 T C 1.940 176.511 174.700 -0.215 0.000 1.046 378 T CA 2.120 63.912 62.100 -0.514 0.000 1.139 378 T CB -0.871 67.535 68.868 -0.770 0.000 0.871 378 T HN 0.513 nan 8.240 nan 0.000 0.454 379 G N 1.668 110.413 108.800 -0.092 0.000 2.179 379 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.220 379 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.220 379 G C 0.724 175.606 174.900 -0.030 0.000 0.990 379 G CA 0.615 45.732 45.100 0.028 0.000 0.646 379 G HN 0.752 nan 8.290 nan 0.000 0.517 380 E N -0.459 119.620 120.200 -0.201 0.000 2.265 380 E HA 0.025 4.374 4.350 -0.001 0.000 0.196 380 E C 1.522 177.870 176.600 -0.419 0.000 0.996 380 E CA 0.781 56.981 56.400 -0.334 0.000 0.832 380 E CB -0.213 29.181 29.700 -0.509 0.000 0.756 380 E HN 0.446 nan 8.360 nan 0.000 0.491 381 F N 1.457 121.318 119.950 -0.148 0.000 2.727 381 F HA 0.382 4.909 4.527 -0.000 0.000 0.302 381 F C 1.138 177.039 175.800 0.168 0.000 1.097 381 F CA -0.481 57.500 58.000 -0.031 0.000 1.330 381 F CB 0.092 39.017 39.000 -0.125 0.000 1.084 381 F HN 0.009 nan 8.300 nan 0.000 0.578 382 A N 0.111 123.065 122.820 0.223 0.000 2.448 382 A HA 0.312 4.632 4.320 -0.001 0.000 0.239 382 A C 1.401 179.032 177.584 0.078 0.000 1.080 382 A CA 0.727 52.833 52.037 0.115 0.000 0.779 382 A CB -0.036 19.019 19.000 0.092 0.000 1.026 382 A HN 0.367 nan 8.150 nan 0.000 0.499 383 T N -2.490 111.993 114.554 -0.119 0.000 3.010 383 T HA 0.138 4.488 4.350 -0.001 0.000 0.257 383 T C 1.119 175.757 174.700 -0.103 0.000 1.020 383 T CA 0.816 62.865 62.100 -0.086 0.000 0.938 383 T CB -0.573 68.277 68.868 -0.030 0.000 1.049 383 T HN 0.758 nan 8.240 nan 0.000 0.522 384 H N 1.700 120.830 119.070 0.099 0.000 2.319 384 H HA 0.047 4.603 4.556 -0.001 0.000 0.297 384 H C 2.624 177.923 175.328 -0.048 0.000 1.097 384 H CA 1.353 57.437 56.048 0.061 0.000 1.285 384 H CB -0.604 29.244 29.762 0.142 0.000 1.368 384 H HN 0.483 nan 8.280 nan 0.000 0.495 385 G N 0.732 109.627 108.800 0.158 0.000 2.545 385 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.217 385 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.217 385 G C 1.991 176.659 174.900 -0.386 0.000 1.218 385 G CA 1.303 46.377 45.100 -0.044 0.000 0.787 385 G HN 0.534 nan 8.290 nan 0.000 0.571 386 A N 0.335 122.783 122.820 -0.620 0.000 1.917 386 A HA -0.103 4.217 4.320 -0.001 0.000 0.219 386 A C 2.679 180.018 177.584 -0.409 0.000 1.182 386 A CA 2.684 54.191 52.037 -0.884 0.000 0.633 386 A CB -0.985 17.404 19.000 -1.018 0.000 0.819 386 A HN 0.587 nan 8.150 nan 0.000 0.448 387 S N -1.136 114.404 115.700 -0.268 0.000 2.359 387 S HA -0.226 4.244 4.470 -0.001 0.000 0.224 387 S C 1.911 176.408 174.600 -0.171 0.000 1.035 387 S CA 1.726 59.833 58.200 -0.154 0.000 1.018 387 S CB -0.896 62.271 63.200 -0.054 0.000 0.876 387 S HN 0.646 nan 8.310 nan 0.000 0.448 388 C N 0.417 119.553 119.300 -0.274 0.000 2.422 388 C HA 0.071 4.531 4.460 -0.001 0.000 0.286 388 C C 1.560 176.290 174.990 -0.433 0.000 1.412 388 C CA 0.253 59.046 59.018 -0.375 0.000 1.786 388 C CB -1.748 25.600 27.740 -0.653 0.000 1.835 388 C HN 0.707 nan 8.230 nan 0.000 0.533 389 Y N 0.299 120.455 120.300 -0.239 0.000 2.583 389 Y HA 0.303 4.852 4.550 -0.001 0.000 0.294 389 Y C 1.770 177.579 175.900 -0.150 0.000 1.170 389 Y CA 0.412 58.408 58.100 -0.173 0.000 1.265 389 Y CB -0.617 37.727 38.460 -0.193 0.000 1.119 389 Y HN 0.336 nan 8.280 nan 0.000 0.522 390 G N 1.043 109.814 108.800 -0.049 0.000 2.225 390 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.267 390 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.267 390 G C -0.025 174.842 174.900 -0.055 0.000 1.024 390 G CA 0.317 45.399 45.100 -0.030 0.000 0.784 390 G HN 0.385 nan 8.290 nan 0.000 0.507 391 I N 0.160 120.654 120.570 -0.127 0.000 2.433 391 I HA 0.301 4.471 4.170 -0.001 0.000 0.292 391 I C -0.725 175.257 176.117 -0.226 0.000 1.001 391 I CA -0.937 60.239 61.300 -0.207 0.000 1.119 391 I CB 1.878 39.688 38.000 -0.318 0.000 1.289 391 I HN 0.013 nan 8.210 nan 0.000 0.438 392 D N 7.038 127.317 120.400 -0.203 0.000 2.428 392 D HA 0.211 4.851 4.640 -0.001 0.000 0.221 392 D C -0.719 175.408 176.300 -0.289 0.000 1.123 392 D CA -0.418 53.482 54.000 -0.167 0.000 0.869 392 D CB 0.922 41.684 40.800 -0.062 0.000 1.032 392 D HN 0.209 nan 8.370 nan 0.000 0.506 393 I N 4.255 124.629 120.570 -0.326 0.000 2.371 393 I HA 0.288 4.458 4.170 -0.001 0.000 0.290 393 I C -0.601 175.206 176.117 -0.518 0.000 1.028 393 I CA -0.290 60.765 61.300 -0.408 0.000 1.345 393 I CB 0.216 37.970 38.000 -0.410 0.000 1.407 393 I HN 0.205 nan 8.210 nan 0.000 0.501 394 R N 6.876 127.041 120.500 -0.559 0.000 2.621 394 R HA 0.445 4.784 4.340 -0.001 0.000 0.292 394 R C -1.154 174.867 176.300 -0.465 0.000 0.969 394 R CA -0.681 55.063 56.100 -0.593 0.000 0.887 394 R CB 1.491 31.507 30.300 -0.472 0.000 1.180 394 R HN 0.584 nan 8.270 nan 0.000 0.450 395 H N 2.767 121.852 119.070 0.025 0.000 2.632 395 H HA 0.213 4.768 4.556 -0.001 0.000 0.258 395 H C -1.814 173.686 175.328 0.285 0.000 1.278 395 H CA -1.947 54.249 56.048 0.247 0.000 1.352 395 H CB 1.236 31.251 29.762 0.421 0.000 1.418 395 H HN 0.189 nan 8.280 nan 0.000 0.513 396 P HA -0.207 nan 4.420 nan 0.000 0.218 396 P C 1.190 178.617 177.300 0.211 0.000 1.150 396 P CA 1.358 64.557 63.100 0.166 0.000 0.841 396 P CB 0.021 31.765 31.700 0.074 0.000 0.784 397 F N -3.162 116.990 119.950 0.336 0.000 2.325 397 F HA -0.029 4.498 4.527 -0.001 0.000 0.299 397 F C 1.679 177.703 175.800 0.374 0.000 1.090 397 F CA 0.527 58.744 58.000 0.361 0.000 1.392 397 F CB -0.609 38.659 39.000 0.447 0.000 1.053 397 F HN 0.004 nan 8.300 nan 0.000 0.521 398 W N 2.991 124.501 121.300 0.350 0.000 1.435 398 W HA 0.169 4.828 4.660 -0.000 0.000 0.471 398 W C 0.471 177.048 176.519 0.096 0.000 0.590 398 W CA -0.191 57.270 57.345 0.193 0.000 2.419 398 W CB -0.331 29.214 29.460 0.141 0.000 1.251 398 W HN -0.086 nan 8.180 nan 0.000 0.338 399 S N -0.790 114.882 115.700 -0.046 0.000 2.593 399 S HA 0.233 4.702 4.470 -0.001 0.000 0.297 399 S C 1.023 175.438 174.600 -0.307 0.000 1.112 399 S CA -0.606 57.484 58.200 -0.183 0.000 1.043 399 S CB 1.469 64.589 63.200 -0.135 0.000 1.054 399 S HN 0.287 nan 8.310 nan 0.000 0.516 400 H N 2.085 121.004 119.070 -0.251 0.000 2.319 400 H HA -0.042 4.513 4.556 -0.001 0.000 0.299 400 H C 2.286 177.390 175.328 -0.373 0.000 1.092 400 H CA 2.064 57.929 56.048 -0.305 0.000 1.302 400 H CB -0.823 28.784 29.762 -0.258 0.000 1.373 400 H HN 0.665 nan 8.280 nan 0.000 0.497 401 S N 0.411 115.885 115.700 -0.377 0.000 2.370 401 S HA -0.111 4.358 4.470 -0.001 0.000 0.226 401 S C 2.266 176.554 174.600 -0.520 0.000 1.033 401 S CA 0.879 58.679 58.200 -0.668 0.000 1.011 401 S CB -0.285 62.029 63.200 -1.476 0.000 0.852 401 S HN 0.110 nan 8.310 nan 0.000 0.457 402 L N 1.597 122.607 121.223 -0.355 0.000 2.072 402 L HA 0.149 4.489 4.340 -0.001 0.000 0.205 402 L C 1.888 178.646 176.870 -0.187 0.000 1.079 402 L CA 1.372 56.134 54.840 -0.130 0.000 0.752 402 L CB -0.613 41.445 42.059 -0.001 0.000 0.906 402 L HN 0.291 nan 8.230 nan 0.000 0.436 403 I N -1.483 118.921 120.570 -0.277 0.000 2.226 403 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 403 I C 2.288 178.290 176.117 -0.192 0.000 1.100 403 I CA 1.290 62.394 61.300 -0.326 0.000 1.374 403 I CB -0.404 37.297 38.000 -0.498 0.000 1.057 403 I HN 0.167 nan 8.210 nan 0.000 0.413 404 S N 0.672 116.267 115.700 -0.175 0.000 2.387 404 S HA -0.050 4.419 4.470 -0.001 0.000 0.226 404 S C 1.968 176.542 174.600 -0.042 0.000 1.026 404 S CA 0.684 58.818 58.200 -0.110 0.000 0.972 404 S CB -0.227 62.889 63.200 -0.141 0.000 0.814 404 S HN 0.379 nan 8.310 nan 0.000 0.477 405 L N 1.200 122.384 121.223 -0.065 0.000 2.046 405 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 405 L C 1.882 178.736 176.870 -0.026 0.000 1.077 405 L CA 1.796 56.632 54.840 -0.008 0.000 0.747 405 L CB -1.052 41.039 42.059 0.052 0.000 0.896 405 L HN 0.372 nan 8.230 nan 0.000 0.432 406 C N -0.700 118.539 119.300 -0.101 0.000 2.481 406 C HA -0.077 4.383 4.460 -0.001 0.000 0.275 406 C C 2.473 177.412 174.990 -0.084 0.000 1.419 406 C CA 0.408 59.327 59.018 -0.165 0.000 1.773 406 C CB -1.333 26.174 27.740 -0.389 0.000 1.862 406 C HN 0.682 nan 8.230 nan 0.000 0.530 407 H N 1.885 120.883 119.070 -0.121 0.000 2.267 407 H HA -0.198 4.357 4.556 -0.001 0.000 0.291 407 H C 1.865 177.162 175.328 -0.052 0.000 1.094 407 H CA 2.529 58.526 56.048 -0.085 0.000 1.227 407 H CB -0.055 29.662 29.762 -0.074 0.000 1.351 407 H HN 0.374 nan 8.280 nan 0.000 0.483 408 A N 0.050 122.791 122.820 -0.131 0.000 2.535 408 A HA 0.271 4.591 4.320 -0.001 0.000 0.273 408 A C 0.162 177.723 177.584 -0.038 0.000 1.267 408 A CA -0.346 51.593 52.037 -0.162 0.000 0.940 408 A CB -0.275 18.687 19.000 -0.064 0.000 1.101 408 A HN 0.351 nan 8.150 nan 0.000 0.521 409 L N 1.717 122.941 121.223 0.000 0.000 2.628 409 L HA -0.025 4.314 4.340 -0.001 0.000 0.274 409 L C 0.779 177.746 176.870 0.162 0.000 1.209 409 L CA 0.303 55.201 54.840 0.097 0.000 0.930 409 L CB -0.422 41.684 42.059 0.079 0.000 1.183 409 L HN 0.507 nan 8.230 nan 0.000 0.492 410 H N 7.481 126.640 119.070 0.148 0.000 3.223 410 H HA -0.085 4.471 4.556 -0.001 0.000 0.287 410 H C -1.691 173.693 175.328 0.093 0.000 0.910 410 H CA -0.373 55.733 56.048 0.097 0.000 1.406 410 H CB 0.706 30.506 29.762 0.064 0.000 1.377 410 H HN 0.571 nan 8.280 nan 0.000 0.556 411 P HA -0.157 nan 4.420 nan 0.000 0.217 411 P C 0.953 178.351 177.300 0.164 0.000 1.148 411 P CA 1.333 64.462 63.100 0.048 0.000 0.834 411 P CB 0.280 31.951 31.700 -0.048 0.000 0.783 412 D N -2.465 118.081 120.400 0.244 0.000 2.384 412 D HA -0.140 4.500 4.640 -0.001 0.000 0.222 412 D C 1.098 177.297 176.300 -0.169 0.000 0.976 412 D CA 1.020 54.991 54.000 -0.049 0.000 0.915 412 D CB -0.403 40.153 40.800 -0.408 0.000 0.896 412 D HN 0.321 nan 8.370 nan 0.000 0.523 413 Y N 0.203 120.566 120.300 0.106 0.000 2.497 413 Y HA 0.160 4.710 4.550 -0.001 0.000 0.265 413 Y C 2.004 178.006 175.900 0.170 0.000 1.111 413 Y CA 0.331 58.495 58.100 0.107 0.000 1.288 413 Y CB 0.453 38.988 38.460 0.125 0.000 1.082 413 Y HN -0.107 nan 8.280 nan 0.000 0.536 414 K N -0.193 120.394 120.400 0.312 0.000 2.313 414 K HA 0.276 4.595 4.320 -0.001 0.000 0.197 414 K C 0.060 176.796 176.600 0.227 0.000 1.061 414 K CA 0.491 56.935 56.287 0.262 0.000 0.980 414 K CB 1.305 33.918 32.500 0.189 0.000 0.888 414 K HN 0.052 nan 8.250 nan 0.000 0.502 415 I N 0.325 121.041 120.570 0.243 0.000 2.571 415 I HA 0.369 4.539 4.170 -0.001 0.000 0.286 415 I C -2.008 174.334 176.117 0.375 0.000 1.134 415 I CA -0.837 60.621 61.300 0.264 0.000 1.052 415 I CB 1.150 39.292 38.000 0.236 0.000 1.237 415 I HN -0.049 nan 8.210 nan 0.000 0.435 416 F N 5.840 125.863 119.950 0.122 0.000 2.719 416 F HA 0.273 4.800 4.527 -0.001 0.000 0.309 416 F C -0.449 175.408 175.800 0.095 0.000 1.138 416 F CA -0.456 57.602 58.000 0.096 0.000 0.943 416 F CB 1.342 40.392 39.000 0.084 0.000 1.304 416 F HN 0.516 nan 8.300 nan 0.000 0.445 417 D N 4.131 124.287 120.400 -0.406 0.000 2.704 417 D HA -0.251 4.389 4.640 -0.001 0.000 0.232 417 D C -0.049 176.225 176.300 -0.043 0.000 1.183 417 D CA 1.621 55.483 54.000 -0.230 0.000 0.647 417 D CB -0.678 40.070 40.800 -0.087 0.000 1.013 417 D HN 0.703 nan 8.370 nan 0.000 0.415 418 N N -1.113 117.567 118.700 -0.033 0.000 2.708 418 N HA -0.222 4.517 4.740 -0.001 0.000 0.251 418 N C 0.009 175.568 175.510 0.082 0.000 1.123 418 N CA 1.336 54.398 53.050 0.019 0.000 0.739 418 N CB -0.235 38.252 38.487 -0.001 0.000 1.113 418 N HN 0.523 nan 8.380 nan 0.000 0.561 419 E N -0.389 119.891 120.200 0.133 0.000 2.410 419 E HA 0.699 5.049 4.350 -0.001 0.000 0.269 419 E C -0.586 176.129 176.600 0.191 0.000 0.937 419 E CA -0.779 55.734 56.400 0.189 0.000 0.793 419 E CB 2.853 32.724 29.700 0.284 0.000 1.314 419 E HN -0.082 nan 8.360 nan 0.000 0.447 420 V N 1.153 121.171 119.914 0.172 0.000 3.078 420 V HA 0.273 4.393 4.120 -0.001 0.000 0.311 420 V C -0.453 175.714 176.094 0.121 0.000 1.138 420 V CA -0.686 61.705 62.300 0.152 0.000 1.007 420 V CB 1.879 33.772 31.823 0.117 0.000 1.045 420 V HN 0.774 nan 8.190 nan 0.000 0.432 421 K N 1.716 122.201 120.400 0.143 0.000 3.088 421 K HA -0.265 4.055 4.320 -0.001 0.000 0.273 421 K C 0.951 177.578 176.600 0.044 0.000 1.111 421 K CA 0.935 57.288 56.287 0.108 0.000 0.803 421 K CB -1.233 31.276 32.500 0.016 0.000 1.226 421 K HN 0.774 nan 8.250 nan 0.000 0.485 422 N N 0.930 119.714 118.700 0.140 0.000 2.049 422 N HA -0.221 4.518 4.740 -0.001 0.000 0.198 422 N C 1.566 177.145 175.510 0.116 0.000 1.030 422 N CA 1.819 54.968 53.050 0.165 0.000 0.870 422 N CB -0.180 38.472 38.487 0.275 0.000 1.045 422 N HN 0.344 nan 8.380 nan 0.000 0.434 423 I N 0.385 121.055 120.570 0.166 0.000 2.286 423 I HA -0.132 4.037 4.170 -0.001 0.000 0.248 423 I C 1.902 177.993 176.117 -0.044 0.000 1.115 423 I CA 1.029 62.393 61.300 0.107 0.000 1.392 423 I CB -0.213 37.845 38.000 0.097 0.000 1.065 423 I HN 0.220 nan 8.210 nan 0.000 0.418 424 L N 0.209 121.298 121.223 -0.223 0.000 2.056 424 L HA -0.194 4.146 4.340 -0.001 0.000 0.207 424 L C 2.675 179.432 176.870 -0.189 0.000 1.078 424 L CA 1.507 56.135 54.840 -0.355 0.000 0.749 424 L CB -0.484 41.147 42.059 -0.713 0.000 0.901 424 L HN 0.291 nan 8.230 nan 0.000 0.433 425 R N -0.224 120.105 120.500 -0.285 0.000 2.075 425 R HA -0.180 4.160 4.340 -0.001 0.000 0.232 425 R C 1.958 178.053 176.300 -0.342 0.000 1.126 425 R CA 1.382 57.175 56.100 -0.510 0.000 0.963 425 R CB -0.330 29.353 30.300 -1.028 0.000 0.858 425 R HN 0.493 nan 8.270 nan 0.000 0.435 426 E N 0.207 120.334 120.200 -0.122 0.000 2.077 426 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 426 E C 1.760 178.383 176.600 0.039 0.000 0.989 426 E CA 1.343 57.781 56.400 0.063 0.000 0.800 426 E CB -0.222 29.564 29.700 0.143 0.000 0.746 426 E HN 0.325 nan 8.360 nan 0.000 0.452 427 Y N 1.343 121.598 120.300 -0.076 0.000 2.114 427 Y HA -0.197 4.352 4.550 -0.001 0.000 0.284 427 Y C 2.237 178.099 175.900 -0.063 0.000 1.143 427 Y CA 1.461 59.519 58.100 -0.070 0.000 1.135 427 Y CB -0.599 37.797 38.460 -0.107 0.000 0.980 427 Y HN -0.025 nan 8.280 nan 0.000 0.499 428 A N -0.151 122.483 122.820 -0.309 0.000 2.024 428 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 428 A C 1.955 179.390 177.584 -0.248 0.000 1.164 428 A CA 1.973 53.808 52.037 -0.336 0.000 0.643 428 A CB -0.826 18.071 19.000 -0.172 0.000 0.806 428 A HN 0.576 nan 8.150 nan 0.000 0.451 429 D N -0.163 120.142 120.400 -0.159 0.000 2.123 429 D HA -0.104 4.536 4.640 -0.001 0.000 0.200 429 D C 2.428 178.692 176.300 -0.060 0.000 0.976 429 D CA 1.656 55.635 54.000 -0.035 0.000 0.831 429 D CB -0.167 40.699 40.800 0.109 0.000 0.974 429 D HN 0.533 nan 8.370 nan 0.000 0.469 430 S N -0.252 115.384 115.700 -0.107 0.000 2.500 430 S HA -0.120 4.349 4.470 -0.001 0.000 0.239 430 S C 1.826 176.347 174.600 -0.132 0.000 0.989 430 S CA 0.460 58.605 58.200 -0.092 0.000 0.951 430 S CB -0.215 62.942 63.200 -0.073 0.000 0.759 430 S HN 0.090 nan 8.310 nan 0.000 0.523 431 L N 0.878 121.978 121.223 -0.205 0.000 2.313 431 L HA 0.210 4.550 4.340 -0.001 0.000 0.214 431 L C 1.301 178.120 176.870 -0.086 0.000 1.119 431 L CA 0.921 55.657 54.840 -0.172 0.000 0.809 431 L CB -1.182 40.740 42.059 -0.229 0.000 0.933 431 L HN 0.382 nan 8.230 nan 0.000 0.449 432 Q N -0.874 118.890 119.800 -0.060 0.000 2.435 432 Q HA -0.255 4.085 4.340 -0.001 0.000 0.312 432 Q C 0.410 176.398 176.000 -0.020 0.000 1.333 432 Q CA 0.225 56.014 55.803 -0.024 0.000 0.883 432 Q CB -1.214 27.514 28.738 -0.015 0.000 1.170 432 Q HN 0.285 nan 8.270 nan 0.000 0.443 433 L N -1.340 119.869 121.223 -0.024 0.000 3.076 433 L HA 0.278 4.617 4.340 -0.001 0.000 0.271 433 L C -0.421 176.449 176.870 -0.000 0.000 1.152 433 L CA 0.513 55.346 54.840 -0.013 0.000 0.996 433 L CB 0.887 42.935 42.059 -0.019 0.000 1.453 433 L HN 0.173 nan 8.230 nan 0.000 0.571 434 L N 1.004 122.226 121.223 -0.000 0.000 2.342 434 L HA 0.588 4.927 4.340 -0.001 0.000 0.271 434 L C -2.110 174.783 176.870 0.038 0.000 1.008 434 L CA -1.773 53.077 54.840 0.015 0.000 0.818 434 L CB 1.185 43.245 42.059 0.002 0.000 1.296 434 L HN -0.112 nan 8.230 nan 0.000 0.427 435 P HA 0.132 nan 4.420 nan 0.000 0.271 435 P C -0.169 177.199 177.300 0.113 0.000 1.216 435 P CA -0.427 62.718 63.100 0.076 0.000 0.776 435 P CB 0.862 32.606 31.700 0.074 0.000 0.881 436 K N 2.329 122.817 120.400 0.147 0.000 2.103 436 K HA -0.181 4.139 4.320 -0.001 0.000 0.207 436 K C 1.356 178.126 176.600 0.284 0.000 1.048 436 K CA 2.251 58.690 56.287 0.252 0.000 0.930 436 K CB -0.900 31.715 32.500 0.192 0.000 0.716 436 K HN 0.681 nan 8.250 nan 0.000 0.444 437 D N 0.103 120.618 120.400 0.191 0.000 2.264 437 D HA -0.125 4.514 4.640 -0.001 0.000 0.208 437 D C 1.584 177.975 176.300 0.152 0.000 0.966 437 D CA 0.625 54.737 54.000 0.188 0.000 0.864 437 D CB 0.080 40.994 40.800 0.190 0.000 0.933 437 D HN 0.026 nan 8.370 nan 0.000 0.499 438 I N 0.497 121.142 120.570 0.124 0.000 2.494 438 I HA -0.056 4.114 4.170 -0.001 0.000 0.250 438 I C 2.279 178.385 176.117 -0.018 0.000 1.112 438 I CA 0.382 61.712 61.300 0.050 0.000 1.438 438 I CB -0.611 37.427 38.000 0.063 0.000 1.111 438 I HN 0.067 nan 8.210 nan 0.000 0.431 439 V N -0.603 119.299 119.914 -0.020 0.000 2.490 439 V HA -0.212 3.908 4.120 -0.001 0.000 0.250 439 V C 1.328 177.121 176.094 -0.501 0.000 1.061 439 V CA 1.487 63.639 62.300 -0.247 0.000 1.064 439 V CB -0.617 31.057 31.823 -0.249 0.000 0.670 439 V HN 0.467 nan 8.190 nan 0.000 0.461 440 W N -0.476 120.822 121.300 -0.002 0.000 2.966 440 W HA 0.409 5.069 4.660 -0.001 0.000 0.406 440 W C 1.000 177.503 176.519 -0.028 0.000 1.027 440 W CA -0.884 56.459 57.345 -0.003 0.000 1.930 440 W CB 0.019 29.485 29.460 0.010 0.000 1.144 440 W HN -0.072 nan 8.180 nan 0.000 0.626 441 R N 1.826 122.345 120.500 0.031 0.000 2.491 441 R HA 0.171 4.511 4.340 -0.001 0.000 0.283 441 R C 0.483 176.741 176.300 -0.070 0.000 1.072 441 R CA -0.286 55.775 56.100 -0.066 0.000 1.048 441 R CB 0.481 30.635 30.300 -0.243 0.000 0.983 441 R HN -0.325 nan 8.270 nan 0.000 0.450 442 K N 2.786 123.149 120.400 -0.061 0.000 2.436 442 K HA -0.030 4.289 4.320 -0.001 0.000 0.275 442 K C -0.544 176.005 176.600 -0.084 0.000 0.999 442 K CA 0.108 56.371 56.287 -0.041 0.000 0.980 442 K CB 0.528 33.016 32.500 -0.021 0.000 0.919 442 K HN 0.500 nan 8.250 nan 0.000 0.484 443 K N 2.791 123.157 120.400 -0.058 0.000 2.414 443 K HA 0.226 4.546 4.320 -0.001 0.000 0.272 443 K C -0.750 175.805 176.600 -0.076 0.000 0.993 443 K CA 0.582 56.826 56.287 -0.071 0.000 0.964 443 K CB 0.321 32.791 32.500 -0.050 0.000 0.925 443 K HN 0.508 nan 8.250 nan 0.000 0.487 444 I N 2.860 123.377 120.570 -0.089 0.000 2.627 444 I HA 0.270 4.440 4.170 -0.001 0.000 0.288 444 I C 0.290 176.354 176.117 -0.090 0.000 1.202 444 I CA -1.232 60.014 61.300 -0.090 0.000 1.050 444 I CB 2.113 40.059 38.000 -0.091 0.000 1.264 444 I HN 0.913 nan 8.210 nan 0.000 0.429 445 G N 3.897 112.628 108.800 -0.115 0.000 2.699 445 G HA2 0.229 4.189 3.960 -0.001 0.000 0.246 445 G HA3 0.229 4.189 3.960 -0.001 0.000 0.246 445 G C 0.892 175.760 174.900 -0.053 0.000 1.219 445 G CA -0.261 44.790 45.100 -0.081 0.000 0.866 445 G HN 0.808 nan 8.290 nan 0.000 0.572 446 I N 0.050 120.676 120.570 0.094 0.000 2.179 446 I HA -0.189 3.981 4.170 -0.001 0.000 0.242 446 I C 2.475 178.665 176.117 0.122 0.000 1.088 446 I CA 1.664 63.029 61.300 0.109 0.000 1.357 446 I CB -0.097 37.980 38.000 0.128 0.000 1.051 446 I HN 0.701 nan 8.210 nan 0.000 0.409 447 H N 0.118 119.194 119.070 0.009 0.000 2.546 447 H HA 0.028 4.583 4.556 -0.001 0.000 0.277 447 H C 1.455 176.810 175.328 0.044 0.000 1.004 447 H CA 0.934 57.006 56.048 0.040 0.000 1.231 447 H CB -0.547 29.262 29.762 0.078 0.000 1.382 447 H HN 0.538 nan 8.280 nan 0.000 0.580 448 E N 0.665 120.612 120.200 -0.422 0.000 2.065 448 E HA 0.085 4.435 4.350 -0.001 0.000 0.191 448 E C 2.526 179.046 176.600 -0.133 0.000 0.960 448 E CA 0.426 56.643 56.400 -0.304 0.000 0.824 448 E CB -0.139 29.332 29.700 -0.381 0.000 0.793 448 E HN 0.488 nan 8.360 nan 0.000 0.459 449 G N 1.176 109.911 108.800 -0.107 0.000 2.501 449 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.220 449 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.220 449 G C 1.515 176.383 174.900 -0.054 0.000 1.114 449 G CA 1.314 46.381 45.100 -0.055 0.000 0.757 449 G HN 0.338 nan 8.290 nan 0.000 0.559 450 S N -1.644 114.025 115.700 -0.051 0.000 2.559 450 S HA 0.331 4.800 4.470 -0.001 0.000 0.226 450 S C 1.177 175.756 174.600 -0.036 0.000 1.000 450 S CA 0.799 58.964 58.200 -0.059 0.000 0.948 450 S CB 0.324 63.504 63.200 -0.033 0.000 0.870 450 S HN 0.256 nan 8.310 nan 0.000 0.497 451 S N 0.241 115.925 115.700 -0.028 0.000 3.445 451 S HA -0.162 4.308 4.470 -0.001 0.000 0.319 451 S C 1.073 175.691 174.600 0.030 0.000 1.209 451 S CA 0.669 58.865 58.200 -0.007 0.000 0.934 451 S CB -2.225 60.967 63.200 -0.015 0.000 0.999 451 S HN 0.533 nan 8.310 nan 0.000 0.582 452 V N 1.896 121.842 119.914 0.052 0.000 2.469 452 V HA -0.322 3.797 4.120 -0.001 0.000 0.251 452 V C 2.378 178.560 176.094 0.147 0.000 1.064 452 V CA 2.332 64.684 62.300 0.086 0.000 1.066 452 V CB -0.709 31.172 31.823 0.096 0.000 0.667 452 V HN 0.902 nan 8.190 nan 0.000 0.461 453 N N 1.023 119.829 118.700 0.176 0.000 2.104 453 N HA -0.256 4.484 4.740 -0.001 0.000 0.190 453 N C 1.723 177.299 175.510 0.109 0.000 1.024 453 N CA 1.873 55.053 53.050 0.216 0.000 0.853 453 N CB -0.687 37.947 38.487 0.244 0.000 1.008 453 N HN 0.502 nan 8.380 nan 0.000 0.424 454 Q N 0.447 120.285 119.800 0.063 0.000 2.083 454 Q HA 0.202 4.541 4.340 -0.001 0.000 0.198 454 Q C 2.010 178.026 176.000 0.026 0.000 0.969 454 Q CA 1.805 57.620 55.803 0.020 0.000 0.838 454 Q CB -0.636 28.107 28.738 0.008 0.000 0.900 454 Q HN 0.477 nan 8.270 nan 0.000 0.436 455 A N -0.281 122.573 122.820 0.056 0.000 1.933 455 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 455 A C 2.107 179.758 177.584 0.111 0.000 1.175 455 A CA 1.276 53.348 52.037 0.059 0.000 0.628 455 A CB -1.053 17.979 19.000 0.053 0.000 0.814 455 A HN 0.617 nan 8.150 nan 0.000 0.444 456 F N 0.463 120.375 119.950 -0.062 0.000 2.186 456 F HA -0.094 4.433 4.527 -0.001 0.000 0.299 456 F C 2.523 178.235 175.800 -0.146 0.000 1.090 456 F CA 0.772 58.710 58.000 -0.103 0.000 1.307 456 F CB 0.022 38.978 39.000 -0.073 0.000 1.019 456 F HN 0.318 nan 8.300 nan 0.000 0.489 457 A N 0.735 123.490 122.820 -0.109 0.000 1.898 457 A HA -0.206 4.114 4.320 -0.001 0.000 0.216 457 A C 1.830 179.318 177.584 -0.161 0.000 1.181 457 A CA 1.701 53.593 52.037 -0.241 0.000 0.620 457 A CB -0.858 18.034 19.000 -0.180 0.000 0.819 457 A HN 0.451 nan 8.150 nan 0.000 0.442 458 N N 0.557 119.209 118.700 -0.080 0.000 2.104 458 N HA -0.171 4.568 4.740 -0.001 0.000 0.190 458 N C 1.876 177.342 175.510 -0.074 0.000 1.024 458 N CA 2.170 55.183 53.050 -0.062 0.000 0.853 458 N CB -0.866 37.604 38.487 -0.029 0.000 1.008 458 N HN 0.545 nan 8.380 nan 0.000 0.424 459 V N -1.039 118.834 119.914 -0.069 0.000 2.515 459 V HA -0.017 4.103 4.120 -0.001 0.000 0.250 459 V C 1.957 177.960 176.094 -0.152 0.000 1.058 459 V CA 1.262 63.510 62.300 -0.087 0.000 1.064 459 V CB -0.787 30.997 31.823 -0.064 0.000 0.675 459 V HN 0.149 nan 8.190 nan 0.000 0.461 460 L N 1.272 122.357 121.223 -0.230 0.000 2.591 460 L HA 0.396 4.736 4.340 -0.001 0.000 0.228 460 L C 1.704 178.467 176.870 -0.178 0.000 1.133 460 L CA 0.628 55.310 54.840 -0.264 0.000 0.880 460 L CB -0.856 40.950 42.059 -0.422 0.000 1.033 460 L HN 0.639 nan 8.230 nan 0.000 0.450 461 G N 0.974 109.686 108.800 -0.146 0.000 2.350 461 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.298 461 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.298 461 G C 0.107 174.939 174.900 -0.113 0.000 1.037 461 G CA 0.674 45.711 45.100 -0.106 0.000 1.074 461 G HN 0.383 nan 8.290 nan 0.000 0.511 462 S N -1.850 113.763 115.700 -0.145 0.000 2.911 462 S HA 0.853 5.323 4.470 -0.001 0.000 0.319 462 S C 0.321 174.840 174.600 -0.134 0.000 1.154 462 S CA 0.523 58.638 58.200 -0.142 0.000 0.857 462 S CB 1.797 64.883 63.200 -0.190 0.000 1.279 462 S HN 1.159 nan 8.310 nan 0.000 0.593 463 T N 0.718 115.196 114.554 -0.127 0.000 2.907 463 T HA 0.439 4.789 4.350 -0.001 0.000 0.284 463 T C 1.478 176.091 174.700 -0.146 0.000 1.004 463 T CA -0.298 61.740 62.100 -0.103 0.000 1.063 463 T CB 0.648 69.478 68.868 -0.064 0.000 0.992 463 T HN 0.391 nan 8.240 nan 0.000 0.483 464 V N 3.608 123.457 119.914 -0.108 0.000 2.278 464 V HA -0.146 3.973 4.120 -0.001 0.000 0.251 464 V C 2.390 178.400 176.094 -0.139 0.000 1.062 464 V CA 2.110 64.340 62.300 -0.116 0.000 1.038 464 V CB -0.733 31.076 31.823 -0.023 0.000 0.646 464 V HN 0.818 nan 8.190 nan 0.000 0.447 465 D N -0.159 120.230 120.400 -0.019 0.000 2.178 465 D HA -0.092 4.547 4.640 -0.001 0.000 0.201 465 D C 1.379 177.727 176.300 0.080 0.000 0.980 465 D CA 0.581 54.645 54.000 0.106 0.000 0.842 465 D CB -0.494 40.362 40.800 0.093 0.000 0.948 465 D HN 0.331 nan 8.370 nan 0.000 0.472 466 N N 0.677 119.331 118.700 -0.077 0.000 2.670 466 N HA -0.110 4.630 4.740 -0.001 0.000 0.296 466 N C -0.223 175.190 175.510 -0.161 0.000 1.216 466 N CA 0.147 53.154 53.050 -0.072 0.000 1.123 466 N CB -0.438 37.992 38.487 -0.094 0.000 1.459 466 N HN 0.201 nan 8.380 nan 0.000 0.509 467 Y N 0.389 120.688 120.300 -0.002 0.000 2.529 467 Y HA -0.010 4.540 4.550 -0.001 0.000 0.290 467 Y C 2.221 178.141 175.900 0.034 0.000 1.177 467 Y CA 0.322 58.433 58.100 0.017 0.000 1.305 467 Y CB 0.214 38.701 38.460 0.044 0.000 1.047 467 Y HN 0.540 nan 8.280 nan 0.000 0.522 468 Q N -0.455 119.414 119.800 0.115 0.000 2.096 468 Q HA -0.117 4.222 4.340 -0.001 0.000 0.197 468 Q C 1.590 177.628 176.000 0.064 0.000 0.964 468 Q CA 1.774 57.633 55.803 0.094 0.000 0.838 468 Q CB 0.046 28.824 28.738 0.067 0.000 0.906 468 Q HN 0.288 nan 8.270 nan 0.000 0.444 469 T N 0.985 115.538 114.554 -0.001 0.000 2.904 469 T HA -0.035 4.315 4.350 -0.001 0.000 0.267 469 T C 1.475 176.155 174.700 -0.033 0.000 1.059 469 T CA 1.104 63.189 62.100 -0.025 0.000 1.137 469 T CB 0.033 68.847 68.868 -0.090 0.000 0.879 469 T HN 0.283 nan 8.240 nan 0.000 0.467 470 K N 1.086 121.420 120.400 -0.110 0.000 2.057 470 K HA 0.018 4.337 4.320 -0.001 0.000 0.206 470 K C 2.704 179.443 176.600 0.232 0.000 1.050 470 K CA 1.177 57.392 56.287 -0.120 0.000 0.935 470 K CB -0.146 32.191 32.500 -0.271 0.000 0.715 470 K HN 0.124 nan 8.250 nan 0.000 0.439 471 S N 0.891 116.724 115.700 0.221 0.000 2.382 471 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 471 S C 1.879 176.647 174.600 0.279 0.000 1.027 471 S CA 0.971 59.330 58.200 0.264 0.000 0.991 471 S CB -0.132 63.198 63.200 0.218 0.000 0.823 471 S HN 0.269 nan 8.310 nan 0.000 0.469 472 R N -0.167 120.471 120.500 0.229 0.000 2.081 472 R HA -0.120 4.219 4.340 -0.001 0.000 0.235 472 R C 2.119 178.564 176.300 0.241 0.000 1.131 472 R CA 1.536 57.773 56.100 0.228 0.000 0.960 472 R CB -0.365 30.030 30.300 0.158 0.000 0.856 472 R HN 0.466 nan 8.270 nan 0.000 0.436 473 F N 1.288 121.311 119.950 0.122 0.000 2.084 473 F HA -0.220 4.307 4.527 -0.001 0.000 0.296 473 F C 2.454 178.361 175.800 0.178 0.000 1.111 473 F CA 2.173 60.249 58.000 0.126 0.000 1.224 473 F CB -0.814 38.272 39.000 0.145 0.000 0.991 473 F HN 0.091 nan 8.300 nan 0.000 0.471 474 T N -1.722 112.974 114.554 0.237 0.000 2.684 474 T HA -0.341 4.008 4.350 -0.001 0.000 0.267 474 T C 2.089 176.891 174.700 0.170 0.000 1.036 474 T CA 1.831 64.022 62.100 0.151 0.000 1.148 474 T CB -1.704 67.344 68.868 0.300 0.000 0.863 474 T HN 0.597 nan 8.240 nan 0.000 0.436 475 Y N 1.664 122.023 120.300 0.098 0.000 2.274 475 Y HA -0.110 4.440 4.550 -0.001 0.000 0.290 475 Y C 2.929 178.859 175.900 0.050 0.000 1.145 475 Y CA 0.997 59.166 58.100 0.115 0.000 1.203 475 Y CB -0.057 38.468 38.460 0.109 0.000 0.984 475 Y HN 0.080 nan 8.280 nan 0.000 0.533 476 R N 0.190 120.630 120.500 -0.101 0.000 2.070 476 R HA -0.174 4.166 4.340 -0.001 0.000 0.233 476 R C 2.433 178.519 176.300 -0.357 0.000 1.137 476 R CA 2.052 57.983 56.100 -0.282 0.000 0.945 476 R CB -0.897 29.279 30.300 -0.207 0.000 0.845 476 R HN 0.454 nan 8.270 nan 0.000 0.430 477 V N -1.035 118.627 119.914 -0.420 0.000 2.548 477 V HA -0.173 3.947 4.120 -0.001 0.000 0.249 477 V C 1.936 177.870 176.094 -0.267 0.000 1.055 477 V CA 1.618 63.620 62.300 -0.497 0.000 1.065 477 V CB -0.908 30.534 31.823 -0.636 0.000 0.681 477 V HN 0.402 nan 8.190 nan 0.000 0.462 478 Y N 1.794 121.997 120.300 -0.162 0.000 2.053 478 Y HA -0.283 4.267 4.550 -0.001 0.000 0.277 478 Y C 2.715 178.508 175.900 -0.179 0.000 1.159 478 Y CA 2.659 60.770 58.100 0.019 0.000 1.125 478 Y CB -0.576 37.991 38.460 0.177 0.000 0.969 478 Y HN 0.319 nan 8.280 nan 0.000 0.492 479 Q N -0.124 119.407 119.800 -0.448 0.000 2.061 479 Q HA -0.233 4.107 4.340 -0.001 0.000 0.204 479 Q C 2.530 178.178 176.000 -0.585 0.000 0.984 479 Q CA 1.660 56.876 55.803 -0.979 0.000 0.846 479 Q CB -0.481 27.605 28.738 -1.087 0.000 0.902 479 Q HN 0.654 nan 8.270 nan 0.000 0.421 480 A N 0.382 122.954 122.820 -0.413 0.000 1.883 480 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 480 A C 1.863 179.355 177.584 -0.152 0.000 1.186 480 A CA 1.219 53.074 52.037 -0.303 0.000 0.624 480 A CB -0.949 17.821 19.000 -0.384 0.000 0.822 480 A HN 0.383 nan 8.150 nan 0.000 0.444 481 F N -1.001 118.858 119.950 -0.151 0.000 2.134 481 F HA -0.162 4.364 4.527 -0.001 0.000 0.299 481 F C 2.098 177.846 175.800 -0.087 0.000 1.097 481 F CA 0.666 58.639 58.000 -0.045 0.000 1.264 481 F CB -0.106 38.915 39.000 0.034 0.000 1.001 481 F HN 0.155 nan 8.300 nan 0.000 0.479 482 L N -0.101 121.110 121.223 -0.020 0.000 2.156 482 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 482 L C 2.098 178.990 176.870 0.036 0.000 1.095 482 L CA 1.519 56.323 54.840 -0.059 0.000 0.770 482 L CB -0.640 41.346 42.059 -0.122 0.000 0.914 482 L HN -0.057 nan 8.230 nan 0.000 0.439 483 R N -0.752 119.763 120.500 0.025 0.000 2.307 483 R HA 0.080 4.419 4.340 -0.001 0.000 0.199 483 R C 1.204 177.525 176.300 0.035 0.000 1.000 483 R CA 0.662 56.799 56.100 0.060 0.000 1.023 483 R CB -0.135 30.184 30.300 0.033 0.000 0.908 483 R HN 0.463 nan 8.270 nan 0.000 0.473 484 G N 1.111 109.944 108.800 0.056 0.000 2.148 484 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.254 484 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.254 484 G C 0.760 175.682 174.900 0.038 0.000 0.981 484 G CA 0.551 45.691 45.100 0.068 0.000 0.670 484 G HN 0.359 nan 8.290 nan 0.000 0.528 485 R N -0.929 119.577 120.500 0.011 0.000 2.153 485 R HA 0.353 4.692 4.340 -0.001 0.000 0.218 485 R C 1.133 177.417 176.300 -0.026 0.000 1.072 485 R CA 0.710 56.795 56.100 -0.026 0.000 0.990 485 R CB 0.150 30.410 30.300 -0.067 0.000 0.889 485 R HN 0.447 nan 8.270 nan 0.000 0.452 486 L N -0.200 121.029 121.223 0.010 0.000 2.362 486 L HA 0.370 4.710 4.340 -0.001 0.000 0.271 486 L C -0.498 176.506 176.870 0.223 0.000 1.002 486 L CA -0.740 54.117 54.840 0.028 0.000 0.818 486 L CB 2.211 44.141 42.059 -0.216 0.000 1.298 486 L HN -0.088 nan 8.230 nan 0.000 0.420 487 S N 1.141 116.927 115.700 0.144 0.000 2.472 487 S HA 0.315 4.785 4.470 -0.001 0.000 0.303 487 S C 0.607 175.204 174.600 -0.005 0.000 1.099 487 S CA -0.556 57.681 58.200 0.061 0.000 1.077 487 S CB 1.332 64.520 63.200 -0.020 0.000 1.031 487 S HN 0.540 nan 8.310 nan 0.000 0.487 488 I N 5.004 125.348 120.570 -0.378 0.000 2.614 488 I HA -0.065 4.105 4.170 -0.001 0.000 0.258 488 I C 2.262 178.216 176.117 -0.271 0.000 1.189 488 I CA 2.039 62.976 61.300 -0.605 0.000 1.462 488 I CB -0.418 36.676 38.000 -1.509 0.000 1.092 488 I HN 0.896 nan 8.210 nan 0.000 0.442 489 T N -3.035 111.407 114.554 -0.185 0.000 2.942 489 T HA -0.010 4.339 4.350 -0.001 0.000 0.265 489 T C 0.893 175.566 174.700 -0.045 0.000 1.062 489 T CA 1.034 63.078 62.100 -0.094 0.000 1.139 489 T CB -0.219 68.601 68.868 -0.081 0.000 0.883 489 T HN 0.296 nan 8.240 nan 0.000 0.468 490 D N 1.101 121.480 120.400 -0.034 0.000 2.957 490 D HA 0.384 5.023 4.640 -0.001 0.000 0.352 490 D C -1.075 175.229 176.300 0.006 0.000 1.352 490 D CA -0.186 53.808 54.000 -0.010 0.000 0.831 490 D CB 1.281 42.073 40.800 -0.014 0.000 1.147 490 D HN 0.292 nan 8.370 nan 0.000 0.467 491 V N 0.445 120.374 119.914 0.024 0.000 2.540 491 V HA 0.638 4.757 4.120 -0.001 0.000 0.302 491 V C -0.754 175.371 176.094 0.052 0.000 1.035 491 V CA -0.025 62.302 62.300 0.045 0.000 0.873 491 V CB 2.089 33.983 31.823 0.118 0.000 0.992 491 V HN 0.144 nan 8.190 nan 0.000 0.428 492 T N 7.092 121.670 114.554 0.040 0.000 2.900 492 T HA 0.591 4.940 4.350 -0.001 0.000 0.295 492 T C -2.069 172.665 174.700 0.056 0.000 1.044 492 T CA -1.609 60.521 62.100 0.050 0.000 0.995 492 T CB 2.274 71.164 68.868 0.037 0.000 1.072 492 T HN 0.581 nan 8.240 nan 0.000 0.473 493 P HA -0.105 nan 4.420 nan 0.000 0.223 493 P C 1.369 178.708 177.300 0.065 0.000 1.144 493 P CA 1.076 64.230 63.100 0.090 0.000 0.783 493 P CB -0.002 31.745 31.700 0.078 0.000 0.771 494 S N 0.332 116.058 115.700 0.043 0.000 2.453 494 S HA -0.149 4.320 4.470 -0.001 0.000 0.231 494 S C 1.822 176.438 174.600 0.026 0.000 1.005 494 S CA 0.435 58.653 58.200 0.030 0.000 0.949 494 S CB -1.080 62.133 63.200 0.022 0.000 0.774 494 S HN 0.406 nan 8.310 nan 0.000 0.510 495 Q N 0.495 120.310 119.800 0.025 0.000 2.222 495 Q HA 0.389 4.728 4.340 -0.001 0.000 0.206 495 Q C 0.729 176.736 176.000 0.011 0.000 0.877 495 Q CA -0.053 55.757 55.803 0.011 0.000 0.958 495 Q CB -0.316 28.422 28.738 -0.001 0.000 1.075 495 Q HN 0.502 nan 8.270 nan 0.000 0.483 496 L N 0.376 121.626 121.223 0.045 0.000 3.066 496 L HA 0.268 4.608 4.340 -0.001 0.000 0.265 496 L C 1.026 177.963 176.870 0.112 0.000 1.232 496 L CA -0.392 54.492 54.840 0.075 0.000 1.031 496 L CB 0.323 42.471 42.059 0.150 0.000 1.379 496 L HN -0.002 nan 8.230 nan 0.000 0.563 497 K N 0.838 121.275 120.400 0.061 0.000 2.211 497 K HA -0.127 4.192 4.320 -0.001 0.000 0.203 497 K C 1.545 178.172 176.600 0.045 0.000 1.050 497 K CA 1.148 57.464 56.287 0.048 0.000 0.945 497 K CB -0.125 32.388 32.500 0.021 0.000 0.732 497 K HN 0.471 nan 8.250 nan 0.000 0.451 498 D N 0.744 121.162 120.400 0.030 0.000 2.219 498 D HA -0.160 4.479 4.640 -0.001 0.000 0.205 498 D C 1.740 178.054 176.300 0.024 0.000 0.970 498 D CA 0.760 54.768 54.000 0.014 0.000 0.851 498 D CB -0.443 40.352 40.800 -0.008 0.000 0.943 498 D HN 0.188 nan 8.370 nan 0.000 0.488 499 L N -0.110 121.144 121.223 0.051 0.000 2.492 499 L HA 0.146 4.486 4.340 -0.001 0.000 0.223 499 L C 2.405 179.374 176.870 0.166 0.000 1.132 499 L CA 0.171 55.050 54.840 0.064 0.000 0.850 499 L CB -0.117 41.947 42.059 0.008 0.000 0.966 499 L HN -0.042 nan 8.230 nan 0.000 0.454 500 I N -0.730 119.941 120.570 0.169 0.000 2.584 500 I HA -0.101 4.069 4.170 -0.001 0.000 0.255 500 I C 1.643 177.796 176.117 0.060 0.000 1.145 500 I CA 0.632 62.010 61.300 0.131 0.000 1.462 500 I CB -0.030 37.998 38.000 0.047 0.000 1.102 500 I HN 0.172 nan 8.210 nan 0.000 0.433 501 K N 0.000 120.424 120.400 0.041 0.000 2.780 501 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 501 K CA 0.000 56.299 56.287 0.019 0.000 0.838 501 K CB 0.000 32.506 32.500 0.009 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543