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 4r1r_1_C DATA FIRST_RESID 5 DATA SEQUENCE LLVTKRDGST ERINLDKIHR VLDWAAEGLH NVSISQVELR SHIQFYDGIK DATA SEQUENCE TSDIHETIIK AAADLISRDA PDYQYLAARL AIFHLRKKAY GQFEPPALYD DATA SEQUENCE HVVKMVEMGK YDNHLLEDYT EEEFKQMDTF IDHDRDMTFS YAAVKQLEGK DATA SEQUENCE YLVQNRVTGE IYESAQFLYI LVAACLFSNY PRETRLQYVK RFYDAVSTFK DATA SEQUENCE ISLPTPIMSG VRTPTRQFSS CVLIECGDSL DSINATSSAI VKYVSQRAGI DATA SEQUENCE GINAGRIRAL GSPIRGGEAF HTGCIPFYKH FQTAVKSASQ GGVRGGAATL DATA SEQUENCE FYPMWHLEVE SLLVLKNNRG VEGNRVRHMD YGVQINKLMY TRLLKGEDIT DATA SEQUENCE LFSPSDVPGL YDAFFADQEE FERLYTKYEK DDSIRKQRVK AVELFSLMMQ DATA SEQUENCE ERASTGRIYI QNVDHCNTHS PFDPAIAPVR QSNLCLEIAL PTKPLNDVND DATA SEQUENCE ENGEIALCTL SAFNLGAINN LDELEELAIL AVRALDALLD YQDYPIPAAK DATA SEQUENCE RGAMGRRTLG IGVINFAYYL AKHGKRYSDG SANNLTHKTF EAIQYYLLKA DATA SEQUENCE SNELAKEQGA CPWFNETTYA KGILPIDTYK KDLDTIANEP LHYDWEALRE DATA SEQUENCE SIKTHGLRNS TLSALMPSET SSQISNATNG IEPPRGYVSI KASKDGILRQ DATA SEQUENCE VVPDYEHLHD AYELLWEMPG NDGYLQLVGI MQKFIDQSIS ANTNYDPSRF DATA SEQUENCE PSGKVPMQQL LKDLLTAYKF GVKTLYYQNT RDG 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.845 176.870 -0.042 0.000 1.165 5 L CA 0.000 54.832 54.840 -0.014 0.000 0.813 5 L CB 0.000 42.049 42.059 -0.016 0.000 0.961 6 L N 3.789 124.990 121.223 -0.037 0.000 2.371 6 L HA 0.574 4.913 4.340 -0.001 0.000 0.272 6 L C -0.363 176.450 176.870 -0.095 0.000 1.124 6 L CA -0.633 54.177 54.840 -0.050 0.000 0.816 6 L CB 1.624 43.669 42.059 -0.024 0.000 1.129 6 L HN 0.243 nan 8.230 nan 0.000 0.448 7 V N 1.711 121.563 119.914 -0.104 0.000 2.495 7 V HA 0.362 4.481 4.120 -0.001 0.000 0.298 7 V C 0.079 176.110 176.094 -0.104 0.000 1.031 7 V CA -0.551 61.662 62.300 -0.145 0.000 0.871 7 V CB 2.065 33.787 31.823 -0.170 0.000 0.988 7 V HN 0.762 nan 8.190 nan 0.000 0.432 8 T N 5.162 119.651 114.554 -0.109 0.000 2.867 8 T HA 0.470 4.819 4.350 -0.001 0.000 0.282 8 T C -0.059 174.594 174.700 -0.078 0.000 1.000 8 T CA -0.629 61.428 62.100 -0.072 0.000 1.042 8 T CB 1.246 70.085 68.868 -0.050 0.000 0.973 8 T HN 0.540 nan 8.240 nan 0.000 0.465 9 K N 1.268 121.636 120.400 -0.054 0.000 2.393 9 K HA 0.460 4.779 4.320 -0.001 0.000 0.241 9 K C 1.372 177.951 176.600 -0.035 0.000 1.055 9 K CA -1.071 55.186 56.287 -0.050 0.000 0.951 9 K CB 0.765 33.243 32.500 -0.037 0.000 1.285 9 K HN 0.274 nan 8.250 nan 0.000 0.500 10 R N 1.102 121.586 120.500 -0.028 0.000 2.105 10 R HA -0.135 4.204 4.340 -0.001 0.000 0.239 10 R C 1.387 177.680 176.300 -0.012 0.000 1.135 10 R CA 1.452 57.541 56.100 -0.017 0.000 0.967 10 R CB -0.313 29.979 30.300 -0.013 0.000 0.861 10 R HN 0.680 nan 8.270 nan 0.000 0.442 11 D N -0.352 120.041 120.400 -0.011 0.000 2.347 11 D HA -0.032 4.607 4.640 -0.001 0.000 0.213 11 D C 0.414 176.709 176.300 -0.008 0.000 0.985 11 D CA 0.919 54.914 54.000 -0.008 0.000 0.879 11 D CB 0.337 41.133 40.800 -0.006 0.000 0.919 11 D HN 0.408 nan 8.370 nan 0.000 0.526 12 G N 0.852 109.645 108.800 -0.012 0.000 2.207 12 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 12 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 12 G C -0.199 174.694 174.900 -0.011 0.000 1.053 12 G CA 0.263 45.357 45.100 -0.011 0.000 0.764 12 G HN 0.285 nan 8.290 nan 0.000 0.495 13 S N 0.103 115.794 115.700 -0.016 0.000 2.501 13 S HA 0.773 5.242 4.470 -0.001 0.000 0.301 13 S C 0.155 174.742 174.600 -0.022 0.000 1.096 13 S CA -0.169 58.022 58.200 -0.015 0.000 1.063 13 S CB 1.960 65.152 63.200 -0.013 0.000 1.042 13 S HN 0.907 nan 8.310 nan 0.000 0.494 14 T N 0.757 115.299 114.554 -0.020 0.000 2.780 14 T HA 0.536 4.886 4.350 -0.001 0.000 0.294 14 T C -0.323 174.361 174.700 -0.026 0.000 0.949 14 T CA -0.679 61.406 62.100 -0.025 0.000 1.074 14 T CB 0.872 69.730 68.868 -0.017 0.000 0.910 14 T HN 0.735 nan 8.240 nan 0.000 0.501 15 E N 1.768 121.947 120.200 -0.035 0.000 2.378 15 E HA 0.486 4.835 4.350 -0.001 0.000 0.265 15 E C -0.614 175.962 176.600 -0.040 0.000 0.932 15 E CA -1.168 55.213 56.400 -0.033 0.000 0.795 15 E CB 1.871 31.551 29.700 -0.033 0.000 1.296 15 E HN 0.482 nan 8.360 nan 0.000 0.438 16 R N 1.394 121.874 120.500 -0.033 0.000 2.459 16 R HA 0.279 4.619 4.340 -0.001 0.000 0.281 16 R C 0.137 176.409 176.300 -0.048 0.000 1.050 16 R CA -0.565 55.514 56.100 -0.035 0.000 1.055 16 R CB 0.630 30.916 30.300 -0.022 0.000 1.045 16 R HN 0.462 nan 8.270 nan 0.000 0.495 17 I N 2.504 123.038 120.570 -0.060 0.000 2.815 17 I HA -0.113 4.056 4.170 -0.001 0.000 0.291 17 I C -0.325 175.764 176.117 -0.047 0.000 1.209 17 I CA 0.741 61.994 61.300 -0.078 0.000 1.431 17 I CB 0.389 38.333 38.000 -0.093 0.000 1.351 17 I HN 0.615 nan 8.210 nan 0.000 0.585 18 N N 7.613 126.287 118.700 -0.043 0.000 2.746 18 N HA 0.209 4.949 4.740 -0.001 0.000 0.250 18 N C 0.632 176.149 175.510 0.012 0.000 1.146 18 N CA -0.359 52.685 53.050 -0.009 0.000 0.828 18 N CB 0.615 39.103 38.487 0.001 0.000 1.158 18 N HN 0.578 nan 8.380 nan 0.000 0.519 19 L N 0.500 121.735 121.223 0.020 0.000 2.191 19 L HA -0.097 4.242 4.340 -0.001 0.000 0.212 19 L C 1.215 178.158 176.870 0.120 0.000 1.103 19 L CA 0.950 55.831 54.840 0.068 0.000 0.769 19 L CB 0.062 42.159 42.059 0.064 0.000 0.908 19 L HN 0.412 nan 8.230 nan 0.000 0.438 20 D N 0.004 120.452 120.400 0.080 0.000 2.149 20 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 20 D C 2.084 178.451 176.300 0.112 0.000 0.972 20 D CA 0.863 54.916 54.000 0.088 0.000 0.835 20 D CB 0.098 40.924 40.800 0.043 0.000 0.966 20 D HN 0.321 nan 8.370 nan 0.000 0.476 21 K N 0.807 121.254 120.400 0.079 0.000 2.026 21 K HA -0.085 4.234 4.320 -0.001 0.000 0.208 21 K C 2.411 179.056 176.600 0.074 0.000 1.048 21 K CA 0.518 56.843 56.287 0.063 0.000 0.929 21 K CB -0.192 32.339 32.500 0.051 0.000 0.713 21 K HN 0.196 nan 8.250 nan 0.000 0.439 22 I N 0.350 120.987 120.570 0.113 0.000 2.118 22 I HA -0.348 3.821 4.170 -0.001 0.000 0.241 22 I C 2.586 178.784 176.117 0.135 0.000 1.070 22 I CA 1.650 63.035 61.300 0.142 0.000 1.327 22 I CB -0.462 37.676 38.000 0.231 0.000 1.034 22 I HN 0.273 nan 8.210 nan 0.000 0.405 23 H N 0.903 120.027 119.070 0.090 0.000 2.353 23 H HA -0.210 4.345 4.556 -0.001 0.000 0.298 23 H C 2.337 177.683 175.328 0.030 0.000 1.103 23 H CA 1.941 58.027 56.048 0.064 0.000 1.293 23 H CB 0.012 29.813 29.762 0.064 0.000 1.372 23 H HN 0.043 nan 8.280 nan 0.000 0.501 24 R N -0.456 120.095 120.500 0.085 0.000 2.080 24 R HA -0.127 4.212 4.340 -0.001 0.000 0.236 24 R C 2.488 178.753 176.300 -0.058 0.000 1.137 24 R CA 1.677 57.784 56.100 0.012 0.000 0.943 24 R CB -0.521 29.788 30.300 0.015 0.000 0.846 24 R HN 0.235 nan 8.270 nan 0.000 0.431 25 V N 0.770 120.612 119.914 -0.119 0.000 2.343 25 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 25 V C 2.262 178.340 176.094 -0.028 0.000 1.051 25 V CA 1.775 63.950 62.300 -0.208 0.000 1.036 25 V CB -0.597 30.939 31.823 -0.480 0.000 0.654 25 V HN 0.268 nan 8.190 nan 0.000 0.451 26 L N 0.109 121.283 121.223 -0.082 0.000 2.012 26 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 26 L C 2.555 179.344 176.870 -0.135 0.000 1.073 26 L CA 2.030 56.811 54.840 -0.098 0.000 0.748 26 L CB -0.664 41.313 42.059 -0.137 0.000 0.891 26 L HN 0.380 nan 8.230 nan 0.000 0.431 27 D N -0.688 119.590 120.400 -0.203 0.000 2.092 27 D HA -0.275 4.364 4.640 -0.001 0.000 0.193 27 D C 1.864 178.132 176.300 -0.054 0.000 0.994 27 D CA 1.282 55.185 54.000 -0.162 0.000 0.828 27 D CB -0.212 40.495 40.800 -0.156 0.000 0.963 27 D HN 0.371 nan 8.370 nan 0.000 0.450 28 W N 1.784 122.974 121.300 -0.183 0.000 2.301 28 W HA -0.274 4.386 4.660 -0.002 0.000 0.325 28 W C 2.373 178.816 176.519 -0.127 0.000 1.250 28 W CA 3.139 60.387 57.345 -0.162 0.000 1.261 28 W CB -0.943 28.381 29.460 -0.228 0.000 1.157 28 W HN 0.025 nan 8.180 nan 0.000 0.473 29 A N 0.736 123.323 122.820 -0.388 0.000 1.948 29 A HA -0.118 4.202 4.320 -0.001 0.000 0.220 29 A C 2.110 179.451 177.584 -0.404 0.000 1.177 29 A CA 2.918 54.582 52.037 -0.622 0.000 0.636 29 A CB -1.601 17.270 19.000 -0.214 0.000 0.815 29 A HN 0.636 nan 8.150 nan 0.000 0.449 30 A N -0.689 121.971 122.820 -0.265 0.000 2.066 30 A HA 0.117 4.436 4.320 -0.001 0.000 0.218 30 A C 1.000 178.440 177.584 -0.239 0.000 1.157 30 A CA 0.806 52.711 52.037 -0.221 0.000 0.670 30 A CB -0.304 18.590 19.000 -0.176 0.000 0.804 30 A HN 0.456 nan 8.150 nan 0.000 0.453 31 E N -0.271 119.776 120.200 -0.254 0.000 2.820 31 E HA 0.232 4.581 4.350 -0.001 0.000 0.251 31 E C 1.290 177.752 176.600 -0.230 0.000 0.944 31 E CA 1.245 57.514 56.400 -0.217 0.000 0.955 31 E CB -0.489 29.087 29.700 -0.206 0.000 0.904 31 E HN 0.823 nan 8.360 nan 0.000 0.513 32 G N 3.143 111.806 108.800 -0.228 0.000 2.205 32 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.261 32 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.261 32 G C 0.176 174.831 174.900 -0.409 0.000 0.980 32 G CA 0.348 45.290 45.100 -0.264 0.000 0.632 32 G HN 0.451 nan 8.290 nan 0.000 0.533 33 L N 0.157 121.153 121.223 -0.380 0.000 2.399 33 L HA 0.725 5.064 4.340 -0.001 0.000 0.266 33 L C 0.532 177.091 176.870 -0.518 0.000 1.114 33 L CA -1.091 53.537 54.840 -0.353 0.000 0.804 33 L CB 0.897 42.836 42.059 -0.201 0.000 1.146 33 L HN 0.193 nan 8.230 nan 0.000 0.451 34 H N 0.486 119.516 119.070 -0.066 0.000 2.524 34 H HA 0.332 4.887 4.556 -0.002 0.000 0.353 34 H C -0.110 175.165 175.328 -0.088 0.000 1.136 34 H CA -0.667 55.347 56.048 -0.057 0.000 1.193 34 H CB 1.178 30.932 29.762 -0.013 0.000 1.558 34 H HN 0.591 nan 8.280 nan 0.000 0.515 35 N N -0.579 118.138 118.700 0.027 0.000 2.782 35 N HA -0.172 4.567 4.740 -0.001 0.000 0.251 35 N C -1.033 174.372 175.510 -0.175 0.000 1.101 35 N CA 1.034 54.067 53.050 -0.029 0.000 0.764 35 N CB -0.923 37.577 38.487 0.021 0.000 1.122 35 N HN 0.372 nan 8.380 nan 0.000 0.561 36 V N -2.607 117.133 119.914 -0.290 0.000 2.435 36 V HA 0.774 4.893 4.120 -0.001 0.000 0.290 36 V C 0.465 176.444 176.094 -0.191 0.000 1.030 36 V CA -0.574 61.404 62.300 -0.537 0.000 0.881 36 V CB 2.074 33.444 31.823 -0.754 0.000 0.983 36 V HN 0.159 nan 8.190 nan 0.000 0.445 37 S N 4.657 120.354 115.700 -0.005 0.000 2.420 37 S HA 0.487 4.956 4.470 -0.001 0.000 0.313 37 S C 0.846 175.482 174.600 0.059 0.000 1.079 37 S CA -0.706 57.523 58.200 0.049 0.000 1.104 37 S CB 0.449 63.702 63.200 0.087 0.000 0.969 37 S HN 0.722 nan 8.310 nan 0.000 0.471 38 I N 4.065 124.638 120.570 0.005 0.000 2.226 38 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 38 I C 2.510 178.632 176.117 0.007 0.000 1.100 38 I CA 1.322 62.616 61.300 -0.010 0.000 1.374 38 I CB -0.467 37.491 38.000 -0.070 0.000 1.057 38 I HN 0.710 nan 8.210 nan 0.000 0.413 39 S N 0.311 116.024 115.700 0.021 0.000 2.359 39 S HA -0.285 4.185 4.470 -0.001 0.000 0.224 39 S C 1.897 176.476 174.600 -0.035 0.000 1.035 39 S CA 1.074 59.273 58.200 -0.002 0.000 1.018 39 S CB -0.536 62.669 63.200 0.008 0.000 0.876 39 S HN 0.333 nan 8.310 nan 0.000 0.448 40 Q N 1.451 121.249 119.800 -0.004 0.000 2.045 40 Q HA -0.082 4.257 4.340 -0.001 0.000 0.206 40 Q C 2.288 178.259 176.000 -0.049 0.000 0.991 40 Q CA 1.838 57.632 55.803 -0.015 0.000 0.851 40 Q CB -1.178 27.579 28.738 0.032 0.000 0.911 40 Q HN 0.475 nan 8.270 nan 0.000 0.418 41 V N 0.861 120.762 119.914 -0.021 0.000 2.332 41 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 41 V C 2.081 178.106 176.094 -0.115 0.000 1.055 41 V CA 2.268 64.538 62.300 -0.050 0.000 1.038 41 V CB -0.601 31.227 31.823 0.008 0.000 0.651 41 V HN 0.452 nan 8.190 nan 0.000 0.450 42 E N -0.036 120.064 120.200 -0.167 0.000 2.072 42 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 42 E C 2.275 178.592 176.600 -0.471 0.000 0.985 42 E CA 1.119 57.271 56.400 -0.414 0.000 0.801 42 E CB -0.218 29.207 29.700 -0.459 0.000 0.750 42 E HN 0.494 nan 8.360 nan 0.000 0.452 43 L N 0.756 121.824 121.223 -0.259 0.000 1.989 43 L HA -0.215 4.124 4.340 -0.001 0.000 0.211 43 L C 2.638 179.411 176.870 -0.162 0.000 1.071 43 L CA 1.409 56.139 54.840 -0.183 0.000 0.749 43 L CB -0.390 41.605 42.059 -0.106 0.000 0.890 43 L HN 0.079 nan 8.230 nan 0.000 0.431 44 R N -0.380 120.035 120.500 -0.142 0.000 2.120 44 R HA -0.118 4.221 4.340 -0.001 0.000 0.234 44 R C 2.362 178.577 176.300 -0.140 0.000 1.123 44 R CA 1.679 57.707 56.100 -0.120 0.000 0.975 44 R CB -0.256 29.980 30.300 -0.106 0.000 0.866 44 R HN 0.495 nan 8.270 nan 0.000 0.446 45 S N -0.975 114.614 115.700 -0.186 0.000 2.475 45 S HA 0.018 4.488 4.470 -0.001 0.000 0.224 45 S C 1.604 175.806 174.600 -0.663 0.000 1.042 45 S CA 0.077 58.132 58.200 -0.242 0.000 0.935 45 S CB -0.318 62.840 63.200 -0.071 0.000 0.801 45 S HN 0.430 nan 8.310 nan 0.000 0.509 46 H N 0.626 119.226 119.070 -0.784 0.000 2.387 46 H HA 0.055 4.610 4.556 -0.002 0.000 0.299 46 H C 1.967 176.936 175.328 -0.598 0.000 1.090 46 H CA 1.221 56.675 56.048 -0.991 0.000 1.332 46 H CB -0.097 29.434 29.762 -0.384 0.000 1.386 46 H HN 0.274 nan 8.280 nan 0.000 0.516 47 I N 1.496 121.946 120.570 -0.200 0.000 2.567 47 I HA -0.225 3.944 4.170 -0.001 0.000 0.257 47 I C 1.407 177.498 176.117 -0.043 0.000 1.184 47 I CA 1.435 62.683 61.300 -0.086 0.000 1.451 47 I CB -0.082 37.885 38.000 -0.054 0.000 1.089 47 I HN 0.241 nan 8.210 nan 0.000 0.441 48 Q N -0.745 119.006 119.800 -0.082 0.000 2.280 48 Q HA 0.125 4.464 4.340 -0.001 0.000 0.201 48 Q C -0.182 175.987 176.000 0.283 0.000 0.890 48 Q CA -0.228 55.629 55.803 0.091 0.000 0.947 48 Q CB 0.135 28.928 28.738 0.092 0.000 1.081 48 Q HN 0.205 nan 8.270 nan 0.000 0.502 49 F N 1.242 121.229 119.950 0.062 0.000 2.406 49 F HA 0.298 4.824 4.527 -0.002 0.000 0.327 49 F C 0.193 176.020 175.800 0.045 0.000 1.153 49 F CA -1.583 56.384 58.000 -0.055 0.000 1.218 49 F CB 0.108 39.040 39.000 -0.113 0.000 1.215 49 F HN -0.007 nan 8.300 nan 0.000 0.570 50 Y N -2.260 118.143 120.300 0.171 0.000 2.624 50 Y HA 0.406 4.955 4.550 -0.001 0.000 0.334 50 Y C -1.093 174.825 175.900 0.030 0.000 1.155 50 Y CA -2.029 56.120 58.100 0.081 0.000 1.046 50 Y CB 0.164 38.661 38.460 0.061 0.000 1.316 50 Y HN 0.340 nan 8.280 nan 0.000 0.457 51 D N 1.564 122.090 120.400 0.211 0.000 2.531 51 D HA 0.348 4.988 4.640 -0.001 0.000 0.239 51 D C 1.135 177.516 176.300 0.136 0.000 1.144 51 D CA 2.783 56.849 54.000 0.111 0.000 0.869 51 D CB 0.608 41.471 40.800 0.105 0.000 1.160 51 D HN 1.206 nan 8.370 nan 0.000 0.484 52 G N 3.181 111.982 108.800 0.003 0.000 2.160 52 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 52 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 52 G C 0.514 175.381 174.900 -0.057 0.000 1.022 52 G CA 0.030 45.131 45.100 0.002 0.000 0.741 52 G HN 0.618 nan 8.290 nan 0.000 0.508 53 I N 1.163 121.550 120.570 -0.305 0.000 2.496 53 I HA 0.382 4.552 4.170 -0.001 0.000 0.285 53 I C 1.126 177.069 176.117 -0.289 0.000 1.080 53 I CA -0.882 60.121 61.300 -0.495 0.000 1.404 53 I CB 0.280 37.696 38.000 -0.974 0.000 1.403 53 I HN 0.265 nan 8.210 nan 0.000 0.539 54 K N 4.692 124.986 120.400 -0.176 0.000 2.380 54 K HA 0.106 4.426 4.320 -0.001 0.000 0.267 54 K C 0.799 177.269 176.600 -0.217 0.000 0.990 54 K CA -0.407 55.794 56.287 -0.144 0.000 0.946 54 K CB 0.052 32.507 32.500 -0.075 0.000 0.937 54 K HN 0.573 nan 8.250 nan 0.000 0.491 55 T N 0.744 115.169 114.554 -0.215 0.000 2.746 55 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 55 T C 2.157 176.602 174.700 -0.425 0.000 1.039 55 T CA 1.917 63.827 62.100 -0.316 0.000 1.142 55 T CB -0.303 68.413 68.868 -0.254 0.000 0.866 55 T HN 0.821 nan 8.240 nan 0.000 0.444 56 S N 2.020 117.575 115.700 -0.241 0.000 2.370 56 S HA -0.196 4.273 4.470 -0.001 0.000 0.226 56 S C 1.654 176.172 174.600 -0.137 0.000 1.033 56 S CA 1.442 59.568 58.200 -0.124 0.000 1.011 56 S CB -0.569 62.654 63.200 0.039 0.000 0.852 56 S HN 0.326 nan 8.310 nan 0.000 0.457 57 D N 1.563 121.891 120.400 -0.120 0.000 2.178 57 D HA 0.090 4.729 4.640 -0.001 0.000 0.202 57 D C 1.825 178.079 176.300 -0.076 0.000 0.974 57 D CA 0.843 54.800 54.000 -0.072 0.000 0.841 57 D CB -0.366 40.401 40.800 -0.054 0.000 0.953 57 D HN 0.495 nan 8.370 nan 0.000 0.478 58 I N 0.125 120.580 120.570 -0.192 0.000 2.252 58 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 58 I C 2.117 178.287 176.117 0.089 0.000 1.102 58 I CA 1.118 62.321 61.300 -0.162 0.000 1.385 58 I CB -0.306 37.454 38.000 -0.400 0.000 1.064 58 I HN 0.165 nan 8.210 nan 0.000 0.414 59 H N 0.487 119.522 119.070 -0.059 0.000 2.319 59 H HA -0.150 4.405 4.556 -0.002 0.000 0.299 59 H C 2.198 177.457 175.328 -0.116 0.000 1.092 59 H CA 1.052 57.048 56.048 -0.087 0.000 1.302 59 H CB 0.122 29.731 29.762 -0.255 0.000 1.373 59 H HN 0.319 nan 8.280 nan 0.000 0.497 60 E N 0.336 120.523 120.200 -0.022 0.000 2.077 60 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 60 E C 2.282 178.919 176.600 0.062 0.000 0.989 60 E CA 1.414 57.812 56.400 -0.003 0.000 0.800 60 E CB -0.403 29.298 29.700 0.001 0.000 0.746 60 E HN 0.472 nan 8.360 nan 0.000 0.452 61 T N 2.662 117.280 114.554 0.107 0.000 2.684 61 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 61 T C 2.238 177.010 174.700 0.120 0.000 1.036 61 T CA 1.688 63.874 62.100 0.143 0.000 1.148 61 T CB -0.427 68.607 68.868 0.277 0.000 0.863 61 T HN 0.371 nan 8.240 nan 0.000 0.436 62 I N -0.374 120.293 120.570 0.162 0.000 2.252 62 I HA -0.058 4.111 4.170 -0.001 0.000 0.245 62 I C 2.237 178.378 176.117 0.040 0.000 1.102 62 I CA 1.397 62.766 61.300 0.115 0.000 1.385 62 I CB -0.726 37.374 38.000 0.167 0.000 1.064 62 I HN 0.140 nan 8.210 nan 0.000 0.414 63 I N 1.699 122.295 120.570 0.044 0.000 2.091 63 I HA -0.331 3.838 4.170 -0.001 0.000 0.239 63 I C 2.826 178.870 176.117 -0.122 0.000 1.061 63 I CA 2.158 63.453 61.300 -0.010 0.000 1.317 63 I CB -0.514 37.530 38.000 0.073 0.000 1.031 63 I HN 0.267 nan 8.210 nan 0.000 0.401 64 K N 1.180 121.548 120.400 -0.053 0.000 2.063 64 K HA -0.227 4.092 4.320 -0.001 0.000 0.208 64 K C 2.170 178.696 176.600 -0.125 0.000 1.048 64 K CA 1.647 57.887 56.287 -0.079 0.000 0.928 64 K CB -0.233 32.265 32.500 -0.004 0.000 0.713 64 K HN 0.321 nan 8.250 nan 0.000 0.442 65 A N 1.022 123.791 122.820 -0.086 0.000 1.884 65 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 65 A C 2.403 179.879 177.584 -0.179 0.000 1.197 65 A CA 2.448 54.420 52.037 -0.108 0.000 0.637 65 A CB -1.327 17.632 19.000 -0.068 0.000 0.827 65 A HN 0.535 nan 8.150 nan 0.000 0.450 66 A N -0.336 122.390 122.820 -0.157 0.000 1.851 66 A HA 0.084 4.403 4.320 -0.001 0.000 0.216 66 A C 2.594 179.998 177.584 -0.299 0.000 1.195 66 A CA 2.746 54.683 52.037 -0.167 0.000 0.622 66 A CB -1.340 17.621 19.000 -0.066 0.000 0.831 66 A HN 1.336 nan 8.150 nan 0.000 0.444 67 A N -0.090 122.491 122.820 -0.399 0.000 1.927 67 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 67 A C 1.674 179.099 177.584 -0.266 0.000 1.185 67 A CA 2.157 53.907 52.037 -0.479 0.000 0.639 67 A CB -0.774 17.808 19.000 -0.696 0.000 0.820 67 A HN 0.490 nan 8.150 nan 0.000 0.451 68 D N -0.491 119.770 120.400 -0.232 0.000 2.350 68 D HA -0.015 4.624 4.640 -0.001 0.000 0.216 68 D C 1.483 177.632 176.300 -0.253 0.000 0.968 68 D CA 0.653 54.542 54.000 -0.186 0.000 0.894 68 D CB -0.126 40.587 40.800 -0.144 0.000 0.909 68 D HN 0.516 nan 8.370 nan 0.000 0.520 69 L N 0.205 121.172 121.223 -0.427 0.000 2.567 69 L HA 0.185 4.524 4.340 -0.001 0.000 0.225 69 L C 0.812 177.435 176.870 -0.412 0.000 1.119 69 L CA -0.201 54.273 54.840 -0.610 0.000 0.871 69 L CB 0.157 41.426 42.059 -1.317 0.000 1.036 69 L HN -0.130 nan 8.230 nan 0.000 0.459 70 I N 0.960 121.397 120.570 -0.221 0.000 2.826 70 I HA -0.107 4.062 4.170 -0.001 0.000 0.295 70 I C 0.625 176.716 176.117 -0.044 0.000 1.213 70 I CA 0.736 62.012 61.300 -0.041 0.000 1.436 70 I CB 0.192 38.175 38.000 -0.028 0.000 1.348 70 I HN 0.283 nan 8.210 nan 0.000 0.570 71 S N 5.207 120.902 115.700 -0.008 0.000 2.636 71 S HA 0.427 4.896 4.470 -0.001 0.000 0.268 71 S C 0.461 174.986 174.600 -0.125 0.000 1.159 71 S CA -1.186 56.978 58.200 -0.058 0.000 0.815 71 S CB 1.513 64.689 63.200 -0.039 0.000 1.130 71 S HN 0.625 nan 8.310 nan 0.000 0.471 72 R N 0.895 121.247 120.500 -0.245 0.000 2.075 72 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 72 R C 0.575 176.694 176.300 -0.301 0.000 1.126 72 R CA 1.602 57.342 56.100 -0.600 0.000 0.963 72 R CB -0.830 28.965 30.300 -0.841 0.000 0.858 72 R HN 0.669 nan 8.270 nan 0.000 0.435 73 D N 0.978 121.323 120.400 -0.092 0.000 2.312 73 D HA -0.009 4.630 4.640 -0.001 0.000 0.211 73 D C 0.299 176.643 176.300 0.073 0.000 0.964 73 D CA 1.014 55.033 54.000 0.031 0.000 0.877 73 D CB 0.317 41.130 40.800 0.021 0.000 0.924 73 D HN 0.302 nan 8.370 nan 0.000 0.515 74 A N 1.204 124.073 122.820 0.082 0.000 3.300 74 A HA 0.310 4.629 4.320 -0.001 0.000 0.300 74 A C -2.044 175.627 177.584 0.144 0.000 1.099 74 A CA -0.838 51.277 52.037 0.131 0.000 0.846 74 A CB 1.027 20.165 19.000 0.231 0.000 1.255 74 A HN -0.173 nan 8.150 nan 0.000 0.519 75 P HA -0.057 nan 4.420 nan 0.000 0.229 75 P C 0.307 177.667 177.300 0.100 0.000 1.160 75 P CA 0.999 64.151 63.100 0.087 0.000 0.777 75 P CB 0.341 32.111 31.700 0.116 0.000 0.814 76 D N -1.550 118.919 120.400 0.115 0.000 2.371 76 D HA -0.092 4.547 4.640 -0.001 0.000 0.221 76 D C 1.503 177.818 176.300 0.025 0.000 0.986 76 D CA 0.599 54.692 54.000 0.155 0.000 0.899 76 D CB -0.662 40.184 40.800 0.076 0.000 0.902 76 D HN 0.144 nan 8.370 nan 0.000 0.530 77 Y N 1.130 121.435 120.300 0.008 0.000 2.274 77 Y HA -0.145 4.405 4.550 -0.001 0.000 0.290 77 Y C 2.347 178.189 175.900 -0.096 0.000 1.145 77 Y CA 0.957 59.029 58.100 -0.047 0.000 1.203 77 Y CB -0.246 38.173 38.460 -0.070 0.000 0.984 77 Y HN 0.053 nan 8.280 nan 0.000 0.533 78 Q N -1.136 118.657 119.800 -0.011 0.000 2.096 78 Q HA -0.277 4.063 4.340 -0.001 0.000 0.208 78 Q C 1.827 177.686 176.000 -0.236 0.000 0.993 78 Q CA 2.343 58.031 55.803 -0.192 0.000 0.862 78 Q CB -0.443 28.002 28.738 -0.487 0.000 0.915 78 Q HN 0.579 nan 8.270 nan 0.000 0.416 79 Y N -0.412 119.937 120.300 0.081 0.000 2.286 79 Y HA -0.146 4.404 4.550 -0.001 0.000 0.293 79 Y C 1.988 177.899 175.900 0.018 0.000 1.124 79 Y CA 0.490 58.622 58.100 0.054 0.000 1.178 79 Y CB -0.457 38.005 38.460 0.004 0.000 1.010 79 Y HN 0.124 nan 8.280 nan 0.000 0.536 80 L N 0.513 121.797 121.223 0.102 0.000 2.012 80 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 80 L C 2.402 179.305 176.870 0.056 0.000 1.073 80 L CA 2.067 56.929 54.840 0.037 0.000 0.748 80 L CB -1.092 40.984 42.059 0.029 0.000 0.891 80 L HN 0.154 nan 8.230 nan 0.000 0.431 81 A N -0.519 122.322 122.820 0.035 0.000 1.877 81 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 81 A C 2.469 180.152 177.584 0.164 0.000 1.186 81 A CA 2.087 54.090 52.037 -0.057 0.000 0.620 81 A CB -1.336 17.394 19.000 -0.451 0.000 0.822 81 A HN 0.607 nan 8.150 nan 0.000 0.443 82 A N 0.179 123.154 122.820 0.259 0.000 1.859 82 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 82 A C 2.251 180.020 177.584 0.309 0.000 1.198 82 A CA 1.929 54.168 52.037 0.337 0.000 0.629 82 A CB -0.648 18.540 19.000 0.314 0.000 0.830 82 A HN 0.596 nan 8.150 nan 0.000 0.446 83 R N -0.615 120.024 120.500 0.232 0.000 2.083 83 R HA -0.111 4.228 4.340 -0.001 0.000 0.237 83 R C 2.181 178.702 176.300 0.370 0.000 1.137 83 R CA 1.558 57.779 56.100 0.202 0.000 0.951 83 R CB -0.758 29.455 30.300 -0.146 0.000 0.851 83 R HN 0.520 nan 8.270 nan 0.000 0.434 84 L N 0.660 122.048 121.223 0.274 0.000 1.990 84 L HA -0.254 4.085 4.340 -0.001 0.000 0.213 84 L C 2.834 179.936 176.870 0.388 0.000 1.072 84 L CA 1.578 56.606 54.840 0.314 0.000 0.755 84 L CB -0.739 41.417 42.059 0.162 0.000 0.889 84 L HN 0.280 nan 8.230 nan 0.000 0.432 85 A N 0.197 123.224 122.820 0.345 0.000 1.873 85 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 85 A C 2.199 179.991 177.584 0.347 0.000 1.193 85 A CA 1.830 54.079 52.037 0.353 0.000 0.629 85 A CB -0.668 18.540 19.000 0.347 0.000 0.826 85 A HN 0.300 nan 8.150 nan 0.000 0.447 86 I N -1.429 119.361 120.570 0.366 0.000 2.118 86 I HA -0.244 3.925 4.170 -0.001 0.000 0.241 86 I C 2.356 178.702 176.117 0.383 0.000 1.070 86 I CA 1.637 63.145 61.300 0.347 0.000 1.327 86 I CB -1.552 36.703 38.000 0.426 0.000 1.034 86 I HN 0.468 nan 8.210 nan 0.000 0.405 87 F N 1.685 121.905 119.950 0.451 0.000 2.063 87 F HA -0.352 4.174 4.527 -0.002 0.000 0.298 87 F C 2.897 178.821 175.800 0.207 0.000 1.109 87 F CA 2.548 60.802 58.000 0.424 0.000 1.212 87 F CB -0.721 38.500 39.000 0.368 0.000 0.973 87 F HN 0.222 nan 8.300 nan 0.000 0.480 88 H N 0.008 119.181 119.070 0.172 0.000 2.352 88 H HA -0.152 4.404 4.556 -0.002 0.000 0.299 88 H C 2.065 177.378 175.328 -0.025 0.000 1.097 88 H CA 2.426 58.485 56.048 0.018 0.000 1.311 88 H CB -0.509 29.324 29.762 0.118 0.000 1.377 88 H HN 0.408 nan 8.280 nan 0.000 0.504 89 L N -0.409 120.740 121.223 -0.123 0.000 2.093 89 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 89 L C 2.763 179.452 176.870 -0.302 0.000 1.085 89 L CA 0.842 55.541 54.840 -0.236 0.000 0.755 89 L CB -0.282 41.717 42.059 -0.101 0.000 0.904 89 L HN 0.233 nan 8.230 nan 0.000 0.435 90 R N 0.493 120.842 120.500 -0.251 0.000 2.080 90 R HA -0.188 4.151 4.340 -0.001 0.000 0.236 90 R C 2.255 178.372 176.300 -0.304 0.000 1.137 90 R CA 1.484 57.404 56.100 -0.300 0.000 0.943 90 R CB -0.530 29.559 30.300 -0.352 0.000 0.846 90 R HN 0.297 nan 8.270 nan 0.000 0.431 91 K N 0.744 120.950 120.400 -0.322 0.000 2.057 91 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 91 K C 2.122 178.594 176.600 -0.213 0.000 1.049 91 K CA 1.158 57.303 56.287 -0.236 0.000 0.931 91 K CB -0.050 32.315 32.500 -0.226 0.000 0.714 91 K HN 0.022 nan 8.250 nan 0.000 0.440 92 K N -0.275 119.941 120.400 -0.307 0.000 2.152 92 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 92 K C 1.763 178.194 176.600 -0.282 0.000 1.048 92 K CA 1.408 57.514 56.287 -0.302 0.000 0.933 92 K CB 0.039 32.285 32.500 -0.423 0.000 0.721 92 K HN 0.177 nan 8.250 nan 0.000 0.447 93 A N -0.689 121.889 122.820 -0.405 0.000 1.942 93 A HA 0.015 4.334 4.320 -0.001 0.000 0.209 93 A C 1.126 178.510 177.584 -0.333 0.000 1.214 93 A CA 0.400 52.151 52.037 -0.477 0.000 0.686 93 A CB -0.049 18.446 19.000 -0.843 0.000 0.871 93 A HN 0.258 nan 8.150 nan 0.000 0.460 94 Y N -0.989 119.278 120.300 -0.054 0.000 2.444 94 Y HA 0.402 4.951 4.550 -0.001 0.000 0.249 94 Y C 1.774 177.645 175.900 -0.049 0.000 1.134 94 Y CA -0.434 57.642 58.100 -0.039 0.000 1.261 94 Y CB -0.110 38.303 38.460 -0.079 0.000 1.143 94 Y HN 0.411 nan 8.280 nan 0.000 0.523 95 G N 0.890 109.710 108.800 0.033 0.000 2.148 95 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.254 95 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.254 95 G C -0.046 174.857 174.900 0.006 0.000 0.981 95 G CA 0.537 45.642 45.100 0.008 0.000 0.670 95 G HN 0.502 nan 8.290 nan 0.000 0.528 96 Q N -3.060 116.740 119.800 -0.001 0.000 2.756 96 Q HA 0.633 4.972 4.340 -0.001 0.000 0.295 96 Q C 0.415 176.392 176.000 -0.039 0.000 0.903 96 Q CA -0.749 55.049 55.803 -0.009 0.000 0.768 96 Q CB 0.169 28.921 28.738 0.023 0.000 1.472 96 Q HN 0.455 nan 8.270 nan 0.000 0.416 97 F N 0.988 120.820 119.950 -0.197 0.000 2.163 97 F HA 0.090 4.616 4.527 -0.002 0.000 0.297 97 F C 0.590 176.322 175.800 -0.114 0.000 1.094 97 F CA 1.183 59.042 58.000 -0.234 0.000 1.290 97 F CB 0.463 39.336 39.000 -0.212 0.000 1.017 97 F HN 0.492 nan 8.300 nan 0.000 0.483 98 E N 3.237 123.404 120.200 -0.056 0.000 2.299 98 E HA 0.108 4.457 4.350 -0.001 0.000 0.272 98 E C -2.234 174.182 176.600 -0.307 0.000 1.043 98 E CA -1.890 54.403 56.400 -0.178 0.000 0.895 98 E CB 0.246 29.928 29.700 -0.030 0.000 1.011 98 E HN 0.107 nan 8.360 nan 0.000 0.432 99 P HA 0.105 nan 4.420 nan 0.000 0.271 99 P C -2.315 174.661 177.300 -0.540 0.000 1.218 99 P CA -1.144 61.386 63.100 -0.949 0.000 0.780 99 P CB -0.222 30.671 31.700 -1.347 0.000 0.901 100 P HA 0.119 nan 4.420 nan 0.000 0.274 100 P C -0.557 176.752 177.300 0.015 0.000 1.260 100 P CA -0.297 62.700 63.100 -0.171 0.000 0.793 100 P CB 0.311 31.937 31.700 -0.123 0.000 1.048 101 A N 0.630 123.464 122.820 0.023 0.000 2.462 101 A HA 0.069 4.388 4.320 -0.001 0.000 0.243 101 A C 1.418 179.015 177.584 0.021 0.000 1.076 101 A CA -0.417 51.662 52.037 0.070 0.000 0.773 101 A CB -0.627 18.408 19.000 0.057 0.000 1.010 101 A HN 0.633 nan 8.150 nan 0.000 0.493 102 L N 2.757 124.005 121.223 0.042 0.000 1.997 102 L HA -0.250 4.089 4.340 -0.001 0.000 0.216 102 L C 2.052 178.805 176.870 -0.194 0.000 1.074 102 L CA 2.794 57.541 54.840 -0.156 0.000 0.763 102 L CB -1.084 40.998 42.059 0.038 0.000 0.890 102 L HN 0.879 nan 8.230 nan 0.000 0.434 103 Y N 0.653 120.830 120.300 -0.205 0.000 2.128 103 Y HA -0.294 4.255 4.550 -0.001 0.000 0.284 103 Y C 2.404 178.130 175.900 -0.290 0.000 1.154 103 Y CA 2.218 60.120 58.100 -0.331 0.000 1.149 103 Y CB -0.532 37.835 38.460 -0.154 0.000 0.976 103 Y HN 0.404 nan 8.280 nan 0.000 0.505 104 D N -1.347 118.942 120.400 -0.185 0.000 2.104 104 D HA -0.249 4.390 4.640 -0.001 0.000 0.194 104 D C 1.999 178.134 176.300 -0.275 0.000 0.994 104 D CA 1.971 55.834 54.000 -0.228 0.000 0.830 104 D CB -0.736 40.020 40.800 -0.074 0.000 0.959 104 D HN 0.512 nan 8.370 nan 0.000 0.452 105 H N 1.292 120.162 119.070 -0.333 0.000 2.265 105 H HA -0.128 4.427 4.556 -0.002 0.000 0.295 105 H C 2.111 177.214 175.328 -0.374 0.000 1.084 105 H CA 2.012 57.852 56.048 -0.346 0.000 1.261 105 H CB -0.436 28.982 29.762 -0.574 0.000 1.360 105 H HN -0.109 nan 8.280 nan 0.000 0.487 106 V N -0.182 119.441 119.914 -0.484 0.000 2.287 106 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 106 V C 2.744 178.543 176.094 -0.492 0.000 1.053 106 V CA 1.678 63.713 62.300 -0.442 0.000 1.027 106 V CB -0.811 30.683 31.823 -0.550 0.000 0.646 106 V HN 0.359 nan 8.190 nan 0.000 0.447 107 V N 0.014 119.560 119.914 -0.614 0.000 2.287 107 V HA -0.357 3.762 4.120 -0.001 0.000 0.248 107 V C 2.453 178.321 176.094 -0.376 0.000 1.053 107 V CA 2.619 64.614 62.300 -0.508 0.000 1.027 107 V CB -0.715 30.752 31.823 -0.594 0.000 0.646 107 V HN 0.606 nan 8.190 nan 0.000 0.447 108 K N -0.625 119.545 120.400 -0.382 0.000 2.026 108 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 108 K C 2.217 178.573 176.600 -0.407 0.000 1.048 108 K CA 1.692 57.781 56.287 -0.330 0.000 0.929 108 K CB -0.151 32.183 32.500 -0.276 0.000 0.713 108 K HN 0.246 nan 8.250 nan 0.000 0.439 109 M N 0.618 119.866 119.600 -0.586 0.000 2.159 109 M HA -0.119 4.360 4.480 -0.001 0.000 0.263 109 M C 2.237 178.269 176.300 -0.447 0.000 1.063 109 M CA 1.073 55.940 55.300 -0.722 0.000 1.110 109 M CB -0.612 31.135 32.600 -1.421 0.000 1.374 109 M HN 0.035 nan 8.290 nan 0.000 0.411 110 V N 0.082 119.817 119.914 -0.298 0.000 2.427 110 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 110 V C 2.225 178.226 176.094 -0.156 0.000 1.051 110 V CA 1.708 63.915 62.300 -0.155 0.000 1.048 110 V CB -0.742 31.011 31.823 -0.116 0.000 0.666 110 V HN 0.445 nan 8.190 nan 0.000 0.456 111 E N -0.487 119.599 120.200 -0.189 0.000 2.150 111 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 111 E C 2.085 178.589 176.600 -0.160 0.000 0.985 111 E CA 1.062 57.369 56.400 -0.155 0.000 0.814 111 E CB -0.088 29.517 29.700 -0.158 0.000 0.752 111 E HN 0.537 nan 8.360 nan 0.000 0.466 112 M N -1.306 118.162 119.600 -0.221 0.000 2.561 112 M HA 0.132 4.611 4.480 -0.001 0.000 0.238 112 M C 1.065 177.248 176.300 -0.196 0.000 1.131 112 M CA 0.659 55.818 55.300 -0.235 0.000 1.046 112 M CB 0.800 33.175 32.600 -0.375 0.000 1.532 112 M HN 0.250 nan 8.290 nan 0.000 0.497 113 G N 0.919 109.625 108.800 -0.157 0.000 2.147 113 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.244 113 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.244 113 G C 0.870 175.720 174.900 -0.084 0.000 1.005 113 G CA 0.174 45.217 45.100 -0.095 0.000 0.713 113 G HN 0.345 nan 8.290 nan 0.000 0.515 114 K N -1.245 119.063 120.400 -0.153 0.000 2.334 114 K HA 0.225 4.544 4.320 -0.001 0.000 0.195 114 K C 0.189 176.853 176.600 0.106 0.000 1.045 114 K CA 0.479 56.703 56.287 -0.107 0.000 1.004 114 K CB 0.483 32.789 32.500 -0.323 0.000 0.837 114 K HN 0.419 nan 8.250 nan 0.000 0.510 115 Y N 0.987 121.230 120.300 -0.096 0.000 2.485 115 Y HA 0.221 4.770 4.550 -0.002 0.000 0.345 115 Y C 0.355 176.217 175.900 -0.064 0.000 0.998 115 Y CA -2.502 55.556 58.100 -0.070 0.000 1.059 115 Y CB 0.848 39.236 38.460 -0.119 0.000 1.234 115 Y HN -0.059 nan 8.280 nan 0.000 0.461 116 D N 1.358 121.813 120.400 0.092 0.000 2.423 116 D HA -0.090 4.550 4.640 -0.001 0.000 0.238 116 D C 0.755 177.046 176.300 -0.016 0.000 1.142 116 D CA 0.271 54.285 54.000 0.024 0.000 0.884 116 D CB 0.863 41.662 40.800 -0.001 0.000 1.199 116 D HN 0.710 nan 8.370 nan 0.000 0.438 117 N N 2.105 120.822 118.700 0.028 0.000 2.446 117 N HA -0.203 4.536 4.740 -0.001 0.000 0.179 117 N C 1.499 177.062 175.510 0.088 0.000 1.054 117 N CA 1.217 54.291 53.050 0.040 0.000 0.905 117 N CB -0.675 37.838 38.487 0.043 0.000 0.973 117 N HN 0.618 nan 8.380 nan 0.000 0.448 118 H N 0.580 119.723 119.070 0.122 0.000 2.422 118 H HA 0.036 4.591 4.556 -0.002 0.000 0.298 118 H C 1.866 177.312 175.328 0.197 0.000 1.098 118 H CA 1.134 57.266 56.048 0.140 0.000 1.315 118 H CB -0.738 29.111 29.762 0.145 0.000 1.382 118 H HN 0.143 nan 8.280 nan 0.000 0.523 119 L N -0.125 121.020 121.223 -0.130 0.000 2.021 119 L HA -0.226 4.113 4.340 -0.001 0.000 0.215 119 L C 2.577 179.717 176.870 0.450 0.000 1.074 119 L CA 1.725 56.676 54.840 0.185 0.000 0.760 119 L CB -0.450 41.666 42.059 0.094 0.000 0.889 119 L HN 0.343 nan 8.230 nan 0.000 0.433 120 L N -1.006 120.395 121.223 0.298 0.000 2.217 120 L HA -0.162 4.177 4.340 -0.001 0.000 0.211 120 L C 2.416 179.462 176.870 0.293 0.000 1.107 120 L CA 0.970 56.007 54.840 0.327 0.000 0.783 120 L CB -0.361 41.785 42.059 0.145 0.000 0.919 120 L HN 0.302 nan 8.230 nan 0.000 0.442 121 E N -0.343 119.996 120.200 0.230 0.000 2.112 121 E HA -0.150 4.199 4.350 -0.001 0.000 0.190 121 E C 1.439 178.124 176.600 0.141 0.000 0.979 121 E CA 0.772 57.273 56.400 0.168 0.000 0.814 121 E CB 0.022 29.807 29.700 0.140 0.000 0.762 121 E HN 0.451 nan 8.360 nan 0.000 0.460 122 D N -0.353 120.151 120.400 0.174 0.000 2.224 122 D HA -0.041 4.598 4.640 -0.001 0.000 0.205 122 D C -0.130 176.025 176.300 -0.241 0.000 0.965 122 D CA 1.030 55.023 54.000 -0.013 0.000 0.852 122 D CB 0.322 41.159 40.800 0.062 0.000 0.947 122 D HN 0.095 nan 8.370 nan 0.000 0.494 123 Y N -0.363 119.972 120.300 0.058 0.000 2.499 123 Y HA 0.193 4.742 4.550 -0.001 0.000 0.347 123 Y C 0.834 176.753 175.900 0.032 0.000 0.987 123 Y CA -1.034 57.000 58.100 -0.111 0.000 1.044 123 Y CB 1.706 39.812 38.460 -0.589 0.000 1.245 123 Y HN -0.308 nan 8.280 nan 0.000 0.461 124 T N -2.524 112.114 114.554 0.141 0.000 2.847 124 T HA 0.157 4.506 4.350 -0.001 0.000 0.279 124 T C 1.013 175.836 174.700 0.205 0.000 0.984 124 T CA -0.418 61.774 62.100 0.153 0.000 0.988 124 T CB 1.372 70.275 68.868 0.058 0.000 1.040 124 T HN 0.884 nan 8.240 nan 0.000 0.528 125 E N 0.121 120.362 120.200 0.070 0.000 2.150 125 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 125 E C 1.651 178.164 176.600 -0.146 0.000 0.985 125 E CA 1.302 57.555 56.400 -0.246 0.000 0.814 125 E CB -0.090 29.173 29.700 -0.728 0.000 0.752 125 E HN 0.800 nan 8.360 nan 0.000 0.466 126 E N 0.940 121.088 120.200 -0.087 0.000 2.077 126 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 126 E C 1.930 178.496 176.600 -0.057 0.000 0.989 126 E CA 1.484 57.842 56.400 -0.070 0.000 0.800 126 E CB -0.065 29.604 29.700 -0.051 0.000 0.746 126 E HN 0.368 nan 8.360 nan 0.000 0.452 127 E N -0.381 119.794 120.200 -0.043 0.000 2.110 127 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 127 E C 1.669 178.158 176.600 -0.185 0.000 0.988 127 E CA 0.758 57.104 56.400 -0.090 0.000 0.804 127 E CB -0.156 29.529 29.700 -0.025 0.000 0.745 127 E HN 0.227 nan 8.360 nan 0.000 0.458 128 F N 1.467 121.389 119.950 -0.047 0.000 2.186 128 F HA -0.098 4.428 4.527 -0.002 0.000 0.299 128 F C 2.198 177.933 175.800 -0.109 0.000 1.090 128 F CA 1.009 58.972 58.000 -0.061 0.000 1.307 128 F CB -0.082 38.979 39.000 0.102 0.000 1.019 128 F HN -0.144 nan 8.300 nan 0.000 0.489 129 K N -0.123 120.304 120.400 0.045 0.000 2.057 129 K HA -0.232 4.087 4.320 -0.001 0.000 0.207 129 K C 2.090 178.603 176.600 -0.146 0.000 1.049 129 K CA 1.484 57.747 56.287 -0.041 0.000 0.931 129 K CB -0.397 32.064 32.500 -0.064 0.000 0.714 129 K HN 0.366 nan 8.250 nan 0.000 0.440 130 Q N 0.262 119.934 119.800 -0.214 0.000 2.124 130 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 130 Q C 2.162 177.669 176.000 -0.823 0.000 0.977 130 Q CA 1.299 56.865 55.803 -0.395 0.000 0.850 130 Q CB 0.061 28.622 28.738 -0.295 0.000 0.901 130 Q HN 0.321 nan 8.270 nan 0.000 0.429 131 M N 0.096 119.316 119.600 -0.633 0.000 2.117 131 M HA -0.185 4.294 4.480 -0.001 0.000 0.262 131 M C 1.693 177.724 176.300 -0.448 0.000 1.065 131 M CA 1.107 56.015 55.300 -0.652 0.000 1.114 131 M CB -0.226 32.217 32.600 -0.261 0.000 1.361 131 M HN 0.141 nan 8.290 nan 0.000 0.408 132 D N 0.157 120.419 120.400 -0.229 0.000 2.149 132 D HA -0.157 4.483 4.640 -0.001 0.000 0.198 132 D C 1.916 178.137 176.300 -0.131 0.000 0.990 132 D CA 1.987 55.932 54.000 -0.092 0.000 0.839 132 D CB -0.067 40.734 40.800 0.002 0.000 0.948 132 D HN 0.423 nan 8.370 nan 0.000 0.460 133 T N -2.163 112.255 114.554 -0.226 0.000 3.007 133 T HA -0.116 4.233 4.350 -0.001 0.000 0.270 133 T C 1.821 176.511 174.700 -0.016 0.000 1.107 133 T CA 0.551 62.570 62.100 -0.135 0.000 1.118 133 T CB -0.472 68.302 68.868 -0.157 0.000 0.889 133 T HN -0.053 nan 8.240 nan 0.000 0.506 134 F N 1.406 121.289 119.950 -0.112 0.000 2.270 134 F HA 0.454 4.980 4.527 -0.002 0.000 0.295 134 F C 1.356 177.031 175.800 -0.208 0.000 1.087 134 F CA -1.744 56.168 58.000 -0.147 0.000 1.365 134 F CB -0.847 38.016 39.000 -0.229 0.000 1.056 134 F HN 0.172 nan 8.300 nan 0.000 0.506 135 I N 1.510 121.984 120.570 -0.161 0.000 2.815 135 I HA -0.103 4.066 4.170 -0.001 0.000 0.291 135 I C 0.009 176.083 176.117 -0.071 0.000 1.209 135 I CA 0.602 61.735 61.300 -0.277 0.000 1.431 135 I CB 0.129 37.923 38.000 -0.343 0.000 1.351 135 I HN -0.032 nan 8.210 nan 0.000 0.585 136 D N 5.102 125.524 120.400 0.038 0.000 2.440 136 D HA 0.174 4.814 4.640 -0.001 0.000 0.252 136 D C 0.714 177.004 176.300 -0.016 0.000 1.180 136 D CA -0.371 53.643 54.000 0.024 0.000 0.894 136 D CB 0.586 41.427 40.800 0.069 0.000 1.111 136 D HN 0.396 nan 8.370 nan 0.000 0.544 137 H N 1.839 120.952 119.070 0.071 0.000 2.524 137 H HA -0.032 4.523 4.556 -0.002 0.000 0.282 137 H C 0.412 175.799 175.328 0.098 0.000 1.016 137 H CA 0.683 56.754 56.048 0.038 0.000 1.270 137 H CB 0.491 30.218 29.762 -0.058 0.000 1.394 137 H HN 0.459 nan 8.280 nan 0.000 0.568 138 D N 0.393 120.922 120.400 0.216 0.000 2.350 138 D HA -0.068 4.571 4.640 -0.001 0.000 0.216 138 D C 2.022 178.393 176.300 0.118 0.000 0.968 138 D CA 0.275 54.396 54.000 0.202 0.000 0.894 138 D CB 0.013 40.912 40.800 0.164 0.000 0.909 138 D HN 0.356 nan 8.370 nan 0.000 0.520 139 R N 0.541 121.076 120.500 0.059 0.000 2.148 139 R HA -0.077 4.262 4.340 -0.001 0.000 0.227 139 R C 1.040 177.322 176.300 -0.029 0.000 1.103 139 R CA 0.692 56.755 56.100 -0.062 0.000 0.983 139 R CB -0.178 30.022 30.300 -0.167 0.000 0.874 139 R HN 0.193 nan 8.270 nan 0.000 0.451 140 D N 0.924 121.429 120.400 0.174 0.000 2.221 140 D HA -0.150 4.489 4.640 -0.001 0.000 0.204 140 D C 1.411 177.928 176.300 0.363 0.000 0.982 140 D CA 1.158 55.382 54.000 0.374 0.000 0.857 140 D CB -0.040 40.999 40.800 0.399 0.000 0.934 140 D HN 0.045 nan 8.370 nan 0.000 0.475 141 M N -0.031 119.713 119.600 0.241 0.000 2.686 141 M HA -0.031 4.448 4.480 -0.001 0.000 0.246 141 M C 1.465 177.826 176.300 0.102 0.000 1.096 141 M CA 0.703 56.106 55.300 0.171 0.000 1.076 141 M CB -0.294 32.360 32.600 0.090 0.000 1.504 141 M HN 0.008 nan 8.290 nan 0.000 0.524 142 T N -3.374 111.218 114.554 0.063 0.000 3.054 142 T HA 0.235 4.584 4.350 -0.001 0.000 0.255 142 T C 0.349 175.166 174.700 0.195 0.000 1.035 142 T CA -0.386 61.736 62.100 0.037 0.000 0.941 142 T CB -0.239 68.629 68.868 0.000 0.000 1.026 142 T HN -0.029 nan 8.240 nan 0.000 0.533 143 F N 3.505 123.670 119.950 0.359 0.000 2.403 143 F HA 0.546 5.072 4.527 -0.001 0.000 0.320 143 F C 1.244 177.230 175.800 0.310 0.000 1.176 143 F CA -0.896 57.283 58.000 0.299 0.000 1.206 143 F CB 0.930 40.075 39.000 0.242 0.000 1.235 143 F HN 0.159 nan 8.300 nan 0.000 0.565 144 S N 0.815 116.714 115.700 0.332 0.000 2.690 144 S HA 0.227 4.696 4.470 -0.001 0.000 0.291 144 S C 0.586 175.222 174.600 0.061 0.000 1.138 144 S CA -0.650 57.534 58.200 -0.026 0.000 1.013 144 S CB 0.822 63.897 63.200 -0.209 0.000 1.053 144 S HN 0.617 nan 8.310 nan 0.000 0.539 145 Y N 1.844 122.083 120.300 -0.102 0.000 2.081 145 Y HA -0.221 4.328 4.550 -0.002 0.000 0.280 145 Y C 2.567 178.438 175.900 -0.047 0.000 1.163 145 Y CA 2.055 60.131 58.100 -0.040 0.000 1.135 145 Y CB -1.211 37.223 38.460 -0.043 0.000 0.970 145 Y HN 0.860 nan 8.280 nan 0.000 0.498 146 A N 0.503 123.250 122.820 -0.122 0.000 1.884 146 A HA -0.260 4.060 4.320 -0.001 0.000 0.219 146 A C 2.530 179.978 177.584 -0.226 0.000 1.197 146 A CA 2.837 54.755 52.037 -0.197 0.000 0.637 146 A CB -1.716 17.226 19.000 -0.096 0.000 0.827 146 A HN 0.672 nan 8.150 nan 0.000 0.450 147 A N -0.825 121.906 122.820 -0.148 0.000 1.892 147 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 147 A C 2.265 179.665 177.584 -0.306 0.000 1.188 147 A CA 2.149 54.084 52.037 -0.169 0.000 0.631 147 A CB -1.125 17.878 19.000 0.005 0.000 0.822 147 A HN 0.529 nan 8.150 nan 0.000 0.447 148 V N -0.277 119.476 119.914 -0.268 0.000 2.343 148 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 148 V C 2.535 178.450 176.094 -0.299 0.000 1.051 148 V CA 2.414 64.539 62.300 -0.291 0.000 1.036 148 V CB -0.662 31.095 31.823 -0.109 0.000 0.654 148 V HN 0.469 nan 8.190 nan 0.000 0.451 149 K N -0.019 120.151 120.400 -0.383 0.000 2.032 149 K HA -0.179 4.141 4.320 -0.001 0.000 0.209 149 K C 2.310 178.759 176.600 -0.252 0.000 1.048 149 K CA 1.469 57.556 56.287 -0.335 0.000 0.927 149 K CB -0.453 31.794 32.500 -0.421 0.000 0.712 149 K HN 0.411 nan 8.250 nan 0.000 0.441 150 Q N 0.139 119.771 119.800 -0.280 0.000 2.050 150 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 150 Q C 2.260 178.046 176.000 -0.357 0.000 0.980 150 Q CA 1.288 56.911 55.803 -0.300 0.000 0.840 150 Q CB -0.419 28.102 28.738 -0.361 0.000 0.898 150 Q HN 0.342 nan 8.270 nan 0.000 0.424 151 L N 0.711 121.687 121.223 -0.412 0.000 2.013 151 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 151 L C 2.580 179.367 176.870 -0.138 0.000 1.073 151 L CA 1.783 56.425 54.840 -0.329 0.000 0.753 151 L CB -0.491 41.344 42.059 -0.374 0.000 0.890 151 L HN 0.376 nan 8.230 nan 0.000 0.432 152 E N -0.259 119.855 120.200 -0.143 0.000 2.152 152 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 152 E C 2.076 178.646 176.600 -0.050 0.000 0.983 152 E CA 1.032 57.383 56.400 -0.080 0.000 0.818 152 E CB -0.035 29.619 29.700 -0.078 0.000 0.758 152 E HN 0.475 nan 8.360 nan 0.000 0.467 153 G N 1.295 110.054 108.800 -0.068 0.000 2.394 153 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.215 153 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.215 153 G C 1.362 176.273 174.900 0.018 0.000 1.165 153 G CA 1.068 46.147 45.100 -0.034 0.000 0.784 153 G HN 0.357 nan 8.290 nan 0.000 0.535 154 K N -2.299 118.134 120.400 0.055 0.000 2.586 154 K HA 0.383 4.703 4.320 -0.001 0.000 0.198 154 K C 0.269 177.083 176.600 0.357 0.000 1.170 154 K CA -0.338 56.050 56.287 0.168 0.000 1.069 154 K CB 0.233 32.835 32.500 0.171 0.000 0.944 154 K HN 0.167 nan 8.250 nan 0.000 0.572 155 Y N 1.139 121.440 120.300 0.002 0.000 2.769 155 Y HA 0.379 4.928 4.550 -0.002 0.000 0.266 155 Y C 0.638 176.555 175.900 0.029 0.000 1.091 155 Y CA -0.855 57.252 58.100 0.012 0.000 1.272 155 Y CB 0.362 38.808 38.460 -0.023 0.000 1.469 155 Y HN -0.118 nan 8.280 nan 0.000 0.475 156 L N 1.349 122.680 121.223 0.181 0.000 2.499 156 L HA 0.075 4.414 4.340 -0.001 0.000 0.273 156 L C 0.032 176.987 176.870 0.142 0.000 1.195 156 L CA -0.289 54.631 54.840 0.133 0.000 0.882 156 L CB 0.323 42.418 42.059 0.060 0.000 1.133 156 L HN -0.221 nan 8.230 nan 0.000 0.483 157 V N 4.431 124.471 119.914 0.210 0.000 2.557 157 V HA -0.011 4.109 4.120 -0.001 0.000 0.301 157 V C 0.391 176.601 176.094 0.192 0.000 1.026 157 V CA 0.384 62.833 62.300 0.248 0.000 1.137 157 V CB 0.367 32.407 31.823 0.363 0.000 0.917 157 V HN 0.941 nan 8.190 nan 0.000 0.484 158 Q N 3.865 123.752 119.800 0.145 0.000 2.630 158 Q HA 0.389 4.728 4.340 -0.001 0.000 0.295 158 Q C -1.077 174.935 176.000 0.019 0.000 0.944 158 Q CA -1.010 54.754 55.803 -0.066 0.000 0.766 158 Q CB 1.691 30.365 28.738 -0.106 0.000 1.471 158 Q HN 0.496 nan 8.270 nan 0.000 0.416 159 N N 0.683 119.307 118.700 -0.127 0.000 2.462 159 N HA 0.193 4.932 4.740 -0.001 0.000 0.242 159 N C 0.126 175.625 175.510 -0.019 0.000 1.010 159 N CA 0.049 53.111 53.050 0.021 0.000 0.939 159 N CB 0.876 39.393 38.487 0.050 0.000 1.127 159 N HN 0.629 nan 8.380 nan 0.000 0.509 160 R N 1.914 122.423 120.500 0.015 0.000 2.120 160 R HA -0.051 4.288 4.340 -0.001 0.000 0.234 160 R C 1.587 177.889 176.300 0.004 0.000 1.123 160 R CA 1.023 57.127 56.100 0.007 0.000 0.975 160 R CB 0.242 30.555 30.300 0.021 0.000 0.866 160 R HN 0.380 nan 8.270 nan 0.000 0.446 161 V N 0.161 120.081 119.914 0.010 0.000 2.255 161 V HA -0.201 3.918 4.120 -0.001 0.000 0.243 161 V C 2.421 178.515 176.094 0.000 0.000 1.038 161 V CA 2.304 64.609 62.300 0.008 0.000 1.008 161 V CB -0.564 31.268 31.823 0.015 0.000 0.645 161 V HN 0.506 nan 8.190 nan 0.000 0.449 162 T N -2.230 112.322 114.554 -0.004 0.000 3.055 162 T HA 0.195 4.544 4.350 -0.001 0.000 0.265 162 T C 1.544 176.222 174.700 -0.036 0.000 1.111 162 T CA 1.000 63.092 62.100 -0.014 0.000 1.118 162 T CB 0.268 69.132 68.868 -0.007 0.000 0.909 162 T HN 1.121 nan 8.240 nan 0.000 0.501 163 G N 1.341 110.108 108.800 -0.055 0.000 2.137 163 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.237 163 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.237 163 G C -0.343 174.477 174.900 -0.134 0.000 1.002 163 G CA -0.024 45.033 45.100 -0.071 0.000 0.702 163 G HN 0.668 nan 8.290 nan 0.000 0.515 164 E N -0.451 119.619 120.200 -0.216 0.000 2.259 164 E HA 0.527 4.876 4.350 -0.001 0.000 0.281 164 E C 0.028 176.276 176.600 -0.587 0.000 1.027 164 E CA -0.514 55.663 56.400 -0.371 0.000 0.838 164 E CB 1.303 30.754 29.700 -0.415 0.000 1.066 164 E HN 0.329 nan 8.360 nan 0.000 0.401 165 I N 3.014 123.300 120.570 -0.473 0.000 2.336 165 I HA 0.049 4.218 4.170 -0.001 0.000 0.292 165 I C -0.076 175.788 176.117 -0.421 0.000 0.991 165 I CA -0.171 60.884 61.300 -0.408 0.000 1.227 165 I CB 0.570 38.427 38.000 -0.238 0.000 1.366 165 I HN 0.570 nan 8.210 nan 0.000 0.466 166 Y N 3.670 123.940 120.300 -0.050 0.000 2.458 166 Y HA 0.193 4.742 4.550 -0.001 0.000 0.254 166 Y C 0.755 176.705 175.900 0.083 0.000 1.120 166 Y CA -0.412 57.672 58.100 -0.027 0.000 1.282 166 Y CB 0.039 38.476 38.460 -0.039 0.000 1.109 166 Y HN 0.554 nan 8.280 nan 0.000 0.526 167 E N -0.837 119.482 120.200 0.198 0.000 2.456 167 E HA 0.671 5.020 4.350 -0.001 0.000 0.276 167 E C -1.019 175.642 176.600 0.101 0.000 0.981 167 E CA -1.116 55.467 56.400 0.305 0.000 0.814 167 E CB 1.874 31.906 29.700 0.554 0.000 1.382 167 E HN -0.077 nan 8.360 nan 0.000 0.459 168 S N -0.520 115.288 115.700 0.180 0.000 2.600 168 S HA 0.650 5.119 4.470 -0.001 0.000 0.300 168 S C 1.011 175.682 174.600 0.118 0.000 1.087 168 S CA -0.400 57.843 58.200 0.072 0.000 0.965 168 S CB 1.495 64.713 63.200 0.030 0.000 1.089 168 S HN 0.845 nan 8.310 nan 0.000 0.496 169 A N 1.449 124.342 122.820 0.121 0.000 1.894 169 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 169 A C 2.143 179.849 177.584 0.203 0.000 1.237 169 A CA 2.180 54.303 52.037 0.143 0.000 0.660 169 A CB -1.291 17.950 19.000 0.402 0.000 0.835 169 A HN 0.783 nan 8.150 nan 0.000 0.461 170 Q N -1.395 118.585 119.800 0.300 0.000 2.181 170 Q HA -0.140 4.199 4.340 -0.001 0.000 0.205 170 Q C 1.822 178.029 176.000 0.344 0.000 0.980 170 Q CA 1.241 57.252 55.803 0.347 0.000 0.862 170 Q CB -0.587 28.204 28.738 0.088 0.000 0.905 170 Q HN 0.742 nan 8.270 nan 0.000 0.429 171 F N 0.169 120.271 119.950 0.254 0.000 2.259 171 F HA -0.040 4.486 4.527 -0.002 0.000 0.298 171 F C 2.184 178.105 175.800 0.202 0.000 1.088 171 F CA -0.017 58.107 58.000 0.207 0.000 1.358 171 F CB -1.032 38.065 39.000 0.161 0.000 1.040 171 F HN 0.060 nan 8.300 nan 0.000 0.505 172 L N -1.027 120.396 121.223 0.333 0.000 1.970 172 L HA -0.294 4.045 4.340 -0.001 0.000 0.212 172 L C 2.452 179.432 176.870 0.184 0.000 1.071 172 L CA 1.751 56.688 54.840 0.161 0.000 0.751 172 L CB -0.698 41.355 42.059 -0.011 0.000 0.889 172 L HN 0.001 nan 8.230 nan 0.000 0.432 173 Y N -0.344 120.141 120.300 0.309 0.000 2.097 173 Y HA -0.306 4.243 4.550 -0.002 0.000 0.282 173 Y C 2.394 178.532 175.900 0.398 0.000 1.152 173 Y CA 1.871 60.168 58.100 0.330 0.000 1.136 173 Y CB -0.784 37.863 38.460 0.312 0.000 0.975 173 Y HN 0.248 nan 8.280 nan 0.000 0.498 174 I N -0.274 120.628 120.570 0.553 0.000 2.226 174 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 174 I C 2.023 178.270 176.117 0.217 0.000 1.100 174 I CA 1.543 63.027 61.300 0.305 0.000 1.374 174 I CB -0.464 37.579 38.000 0.072 0.000 1.057 174 I HN 0.139 nan 8.210 nan 0.000 0.413 175 L N -1.124 120.208 121.223 0.182 0.000 2.156 175 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 175 L C 2.453 179.355 176.870 0.053 0.000 1.095 175 L CA 0.526 55.403 54.840 0.061 0.000 0.770 175 L CB -0.626 41.402 42.059 -0.050 0.000 0.914 175 L HN 0.085 nan 8.230 nan 0.000 0.439 176 V N 0.286 120.272 119.914 0.121 0.000 2.287 176 V HA -0.337 3.782 4.120 -0.001 0.000 0.248 176 V C 2.802 178.948 176.094 0.086 0.000 1.053 176 V CA 1.960 64.314 62.300 0.089 0.000 1.027 176 V CB -0.925 31.003 31.823 0.174 0.000 0.646 176 V HN 0.498 nan 8.190 nan 0.000 0.447 177 A N -0.032 122.939 122.820 0.251 0.000 1.883 177 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 177 A C 2.462 180.149 177.584 0.172 0.000 1.186 177 A CA 2.349 54.548 52.037 0.271 0.000 0.624 177 A CB -0.954 18.318 19.000 0.452 0.000 0.822 177 A HN 0.602 nan 8.150 nan 0.000 0.444 178 A N -0.806 122.074 122.820 0.100 0.000 1.873 178 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 178 A C 2.379 180.082 177.584 0.199 0.000 1.193 178 A CA 1.938 53.993 52.037 0.030 0.000 0.629 178 A CB -1.441 17.440 19.000 -0.198 0.000 0.826 178 A HN 0.632 nan 8.150 nan 0.000 0.447 179 C N -0.771 118.575 119.300 0.077 0.000 2.442 179 C HA -0.071 4.388 4.460 -0.001 0.000 0.279 179 C C 2.642 177.496 174.990 -0.227 0.000 1.237 179 C CA 1.033 60.054 59.018 0.006 0.000 1.722 179 C CB -1.567 26.097 27.740 -0.128 0.000 2.056 179 C HN 0.631 nan 8.230 nan 0.000 0.469 180 L N -0.773 120.237 121.223 -0.355 0.000 2.127 180 L HA -0.148 4.192 4.340 -0.001 0.000 0.211 180 L C 1.335 177.827 176.870 -0.630 0.000 1.089 180 L CA 1.705 56.193 54.840 -0.587 0.000 0.757 180 L CB -0.517 41.087 42.059 -0.758 0.000 0.899 180 L HN 0.340 nan 8.230 nan 0.000 0.434 181 F N -1.180 118.601 119.950 -0.281 0.000 2.750 181 F HA 0.091 4.617 4.527 -0.001 0.000 0.297 181 F C 2.079 177.853 175.800 -0.042 0.000 1.138 181 F CA 0.037 57.850 58.000 -0.312 0.000 1.346 181 F CB -0.075 38.632 39.000 -0.489 0.000 0.965 181 F HN -0.029 nan 8.300 nan 0.000 0.514 182 S N -0.329 115.439 115.700 0.112 0.000 2.402 182 S HA -0.162 4.308 4.470 -0.001 0.000 0.229 182 S C 1.392 175.985 174.600 -0.012 0.000 1.021 182 S CA 1.190 59.416 58.200 0.045 0.000 0.974 182 S CB -0.394 62.846 63.200 0.066 0.000 0.800 182 S HN 0.513 nan 8.310 nan 0.000 0.484 183 N N 0.062 118.798 118.700 0.059 0.000 2.362 183 N HA 0.134 4.873 4.740 -0.001 0.000 0.204 183 N C -1.031 174.542 175.510 0.106 0.000 1.166 183 N CA -0.080 52.996 53.050 0.043 0.000 0.831 183 N CB 0.119 38.609 38.487 0.005 0.000 1.008 183 N HN 0.387 nan 8.380 nan 0.000 0.472 184 Y N 1.696 121.987 120.300 -0.015 0.000 2.301 184 Y HA 0.235 4.784 4.550 -0.001 0.000 0.325 184 Y C -1.723 174.187 175.900 0.017 0.000 1.203 184 Y CA -2.321 55.795 58.100 0.027 0.000 1.255 184 Y CB 0.292 38.824 38.460 0.119 0.000 1.232 184 Y HN 0.085 nan 8.280 nan 0.000 0.501 185 P HA 0.009 nan 4.420 nan 0.000 0.266 185 P C 0.217 177.571 177.300 0.091 0.000 1.193 185 P CA 0.042 63.167 63.100 0.043 0.000 0.770 185 P CB 0.750 32.457 31.700 0.012 0.000 0.836 186 R N 2.551 123.079 120.500 0.048 0.000 2.152 186 R HA -0.122 4.217 4.340 -0.001 0.000 0.232 186 R C 1.681 178.018 176.300 0.062 0.000 1.117 186 R CA 1.226 57.355 56.100 0.049 0.000 0.981 186 R CB -0.571 29.740 30.300 0.018 0.000 0.870 186 R HN 0.601 nan 8.270 nan 0.000 0.451 187 E N 0.658 120.890 120.200 0.054 0.000 2.110 187 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 187 E C 1.529 178.166 176.600 0.061 0.000 0.988 187 E CA 1.871 58.298 56.400 0.045 0.000 0.804 187 E CB -0.422 29.296 29.700 0.030 0.000 0.745 187 E HN 0.461 nan 8.360 nan 0.000 0.458 188 T N -2.341 112.284 114.554 0.117 0.000 2.985 188 T HA 0.242 4.591 4.350 -0.001 0.000 0.254 188 T C 1.770 176.607 174.700 0.228 0.000 1.021 188 T CA 0.045 62.231 62.100 0.143 0.000 0.957 188 T CB 0.445 69.463 68.868 0.250 0.000 1.047 188 T HN 0.011 nan 8.240 nan 0.000 0.511 189 R N 1.389 122.041 120.500 0.254 0.000 2.154 189 R HA -0.022 4.317 4.340 -0.001 0.000 0.236 189 R C 2.159 178.555 176.300 0.160 0.000 1.121 189 R CA 1.921 58.174 56.100 0.254 0.000 0.915 189 R CB -0.842 29.585 30.300 0.212 0.000 0.856 189 R HN 0.388 nan 8.270 nan 0.000 0.431 190 L N 0.462 121.774 121.223 0.149 0.000 2.191 190 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 190 L C 2.805 179.693 176.870 0.030 0.000 1.103 190 L CA 1.364 56.301 54.840 0.162 0.000 0.769 190 L CB -0.568 41.629 42.059 0.231 0.000 0.908 190 L HN 0.544 nan 8.230 nan 0.000 0.438 191 Q N -0.315 119.449 119.800 -0.059 0.000 2.050 191 Q HA -0.249 4.091 4.340 -0.001 0.000 0.202 191 Q C 2.251 178.049 176.000 -0.337 0.000 0.980 191 Q CA 1.918 57.588 55.803 -0.222 0.000 0.840 191 Q CB -0.150 28.434 28.738 -0.257 0.000 0.898 191 Q HN 0.392 nan 8.270 nan 0.000 0.424 192 Y N -0.154 119.947 120.300 -0.332 0.000 2.181 192 Y HA -0.214 4.335 4.550 -0.001 0.000 0.288 192 Y C 2.371 177.852 175.900 -0.699 0.000 1.146 192 Y CA 1.119 58.832 58.100 -0.645 0.000 1.164 192 Y CB -0.508 37.319 38.460 -1.055 0.000 0.982 192 Y HN -0.034 nan 8.280 nan 0.000 0.515 193 V N 0.417 120.148 119.914 -0.305 0.000 2.231 193 V HA -0.367 3.752 4.120 -0.001 0.000 0.248 193 V C 2.488 178.534 176.094 -0.079 0.000 1.054 193 V CA 2.312 64.546 62.300 -0.110 0.000 1.015 193 V CB -0.606 31.256 31.823 0.065 0.000 0.638 193 V HN 0.335 nan 8.190 nan 0.000 0.444 194 K N -0.204 120.006 120.400 -0.317 0.000 2.032 194 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 194 K C 2.405 178.848 176.600 -0.261 0.000 1.048 194 K CA 1.747 57.674 56.287 -0.601 0.000 0.927 194 K CB -0.174 31.430 32.500 -1.492 0.000 0.712 194 K HN 0.380 nan 8.250 nan 0.000 0.441 195 R N -0.528 119.822 120.500 -0.251 0.000 2.091 195 R HA -0.161 4.178 4.340 -0.001 0.000 0.238 195 R C 2.363 178.621 176.300 -0.070 0.000 1.136 195 R CA 1.640 57.639 56.100 -0.169 0.000 0.959 195 R CB -0.529 29.662 30.300 -0.182 0.000 0.856 195 R HN 0.251 nan 8.270 nan 0.000 0.437 196 F N 0.725 120.590 119.950 -0.143 0.000 2.146 196 F HA -0.255 4.271 4.527 -0.002 0.000 0.298 196 F C 2.353 178.143 175.800 -0.018 0.000 1.096 196 F CA 1.353 59.331 58.000 -0.038 0.000 1.275 196 F CB -0.491 38.543 39.000 0.056 0.000 1.008 196 F HN -0.007 nan 8.300 nan 0.000 0.480 197 Y N 1.178 121.490 120.300 0.019 0.000 2.128 197 Y HA -0.264 4.285 4.550 -0.001 0.000 0.284 197 Y C 2.175 177.940 175.900 -0.226 0.000 1.154 197 Y CA 2.169 60.237 58.100 -0.053 0.000 1.149 197 Y CB -0.887 37.593 38.460 0.033 0.000 0.976 197 Y HN 0.043 nan 8.280 nan 0.000 0.505 198 D N 0.538 120.728 120.400 -0.349 0.000 2.104 198 D HA -0.229 4.410 4.640 -0.001 0.000 0.194 198 D C 2.386 178.379 176.300 -0.511 0.000 0.994 198 D CA 1.745 55.462 54.000 -0.472 0.000 0.830 198 D CB -0.847 39.805 40.800 -0.247 0.000 0.959 198 D HN 0.509 nan 8.370 nan 0.000 0.452 199 A N 0.634 123.205 122.820 -0.415 0.000 1.884 199 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 199 A C 2.499 179.786 177.584 -0.495 0.000 1.197 199 A CA 3.070 54.867 52.037 -0.399 0.000 0.637 199 A CB -1.008 17.764 19.000 -0.381 0.000 0.827 199 A HN 0.262 nan 8.150 nan 0.000 0.450 200 V N -1.853 117.663 119.914 -0.662 0.000 2.649 200 V HA -0.073 4.047 4.120 -0.001 0.000 0.248 200 V C 2.298 177.774 176.094 -1.032 0.000 1.054 200 V CA 2.002 63.906 62.300 -0.659 0.000 1.073 200 V CB -0.975 30.529 31.823 -0.531 0.000 0.699 200 V HN 0.674 nan 8.190 nan 0.000 0.463 201 S N 1.788 116.749 115.700 -1.231 0.000 2.453 201 S HA -0.107 4.362 4.470 -0.001 0.000 0.231 201 S C 1.714 175.573 174.600 -1.236 0.000 1.005 201 S CA 1.217 58.582 58.200 -1.391 0.000 0.949 201 S CB -0.873 61.531 63.200 -1.327 0.000 0.774 201 S HN 0.891 nan 8.310 nan 0.000 0.510 202 T N -1.749 112.231 114.554 -0.956 0.000 3.258 202 T HA 0.395 4.744 4.350 -0.001 0.000 0.263 202 T C 0.044 174.404 174.700 -0.566 0.000 0.983 202 T CA -0.755 60.863 62.100 -0.803 0.000 0.907 202 T CB -1.301 67.290 68.868 -0.463 0.000 1.096 202 T HN 0.212 nan 8.240 nan 0.000 0.556 203 F N 0.465 120.263 119.950 -0.253 0.000 3.100 203 F HA -0.239 4.287 4.527 -0.001 0.000 0.284 203 F C 1.373 177.124 175.800 -0.082 0.000 0.875 203 F CA 0.384 58.304 58.000 -0.134 0.000 1.039 203 F CB -2.312 36.654 39.000 -0.057 0.000 1.111 203 F HN 0.379 nan 8.300 nan 0.000 0.575 204 K N -0.028 120.354 120.400 -0.029 0.000 2.186 204 K HA 0.217 4.536 4.320 -0.001 0.000 0.202 204 K C 0.898 177.542 176.600 0.074 0.000 1.052 204 K CA 0.885 57.177 56.287 0.007 0.000 0.965 204 K CB 0.629 33.084 32.500 -0.075 0.000 0.746 204 K HN 0.317 nan 8.250 nan 0.000 0.457 205 I N 0.976 121.550 120.570 0.007 0.000 2.433 205 I HA 0.099 4.268 4.170 -0.001 0.000 0.292 205 I C -0.491 175.645 176.117 0.031 0.000 1.001 205 I CA -0.503 60.819 61.300 0.037 0.000 1.119 205 I CB 2.184 40.151 38.000 -0.056 0.000 1.289 205 I HN -0.148 nan 8.210 nan 0.000 0.438 206 S N 6.351 122.091 115.700 0.067 0.000 2.462 206 S HA 0.679 5.148 4.470 -0.001 0.000 0.294 206 S C -0.491 174.166 174.600 0.095 0.000 1.144 206 S CA -0.480 57.789 58.200 0.115 0.000 1.088 206 S CB 0.829 64.105 63.200 0.126 0.000 1.009 206 S HN 0.311 nan 8.310 nan 0.000 0.484 207 L N 5.154 126.465 121.223 0.147 0.000 2.334 207 L HA 0.544 4.883 4.340 -0.001 0.000 0.273 207 L C -2.066 174.868 176.870 0.107 0.000 1.013 207 L CA -2.337 52.572 54.840 0.116 0.000 0.816 207 L CB 1.515 43.661 42.059 0.144 0.000 1.278 207 L HN 0.425 nan 8.230 nan 0.000 0.431 208 P HA 0.043 nan 4.420 nan 0.000 0.269 208 P C 0.440 177.757 177.300 0.029 0.000 1.217 208 P CA -0.185 62.953 63.100 0.063 0.000 0.783 208 P CB 0.366 32.092 31.700 0.044 0.000 0.898 209 T N 1.782 116.380 114.554 0.073 0.000 2.665 209 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 209 T C -0.905 173.754 174.700 -0.068 0.000 1.035 209 T CA 1.992 64.112 62.100 0.033 0.000 1.151 209 T CB -2.011 66.965 68.868 0.181 0.000 0.862 209 T HN 0.495 nan 8.240 nan 0.000 0.438 210 P HA -0.003 nan 4.420 nan 0.000 0.215 210 P C 1.598 178.974 177.300 0.127 0.000 1.157 210 P CA 1.035 64.199 63.100 0.106 0.000 0.868 210 P CB -0.268 31.529 31.700 0.162 0.000 0.788 211 I N -1.458 119.125 120.570 0.022 0.000 2.179 211 I HA -0.215 3.954 4.170 -0.001 0.000 0.242 211 I C 2.550 178.590 176.117 -0.129 0.000 1.088 211 I CA 1.361 62.591 61.300 -0.116 0.000 1.357 211 I CB -0.618 37.299 38.000 -0.138 0.000 1.051 211 I HN -0.124 nan 8.210 nan 0.000 0.409 212 M N 0.395 119.863 119.600 -0.220 0.000 2.267 212 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 212 M C 2.392 178.470 176.300 -0.369 0.000 1.063 212 M CA 1.894 56.957 55.300 -0.396 0.000 1.090 212 M CB -0.957 31.049 32.600 -0.990 0.000 1.392 212 M HN 0.386 nan 8.290 nan 0.000 0.422 213 S N -1.963 113.583 115.700 -0.257 0.000 2.502 213 S HA 0.187 4.656 4.470 -0.001 0.000 0.215 213 S C 1.785 176.430 174.600 0.074 0.000 1.009 213 S CA 0.370 58.529 58.200 -0.068 0.000 0.908 213 S CB -0.044 63.147 63.200 -0.016 0.000 0.801 213 S HN 0.441 nan 8.310 nan 0.000 0.505 214 G N 1.465 110.356 108.800 0.152 0.000 2.662 214 G HA2 0.261 4.220 3.960 -0.001 0.000 0.207 214 G HA3 0.261 4.220 3.960 -0.001 0.000 0.207 214 G C 0.225 175.339 174.900 0.356 0.000 1.154 214 G CA 0.009 45.311 45.100 0.338 0.000 0.837 214 G HN 0.353 nan 8.290 nan 0.000 0.580 215 V N 2.996 123.014 119.914 0.174 0.000 2.486 215 V HA 0.160 4.279 4.120 -0.001 0.000 0.290 215 V C 1.294 177.412 176.094 0.040 0.000 0.991 215 V CA 1.807 64.124 62.300 0.028 0.000 1.142 215 V CB -0.047 31.614 31.823 -0.271 0.000 0.926 215 V HN 0.835 nan 8.190 nan 0.000 0.472 216 R N 2.515 123.068 120.500 0.088 0.000 1.981 216 R HA -0.120 4.219 4.340 -0.001 0.000 0.361 216 R C 0.361 176.628 176.300 -0.055 0.000 0.220 216 R CA 0.813 56.851 56.100 -0.103 0.000 1.427 216 R CB -1.501 28.603 30.300 -0.326 0.000 1.802 216 R HN 0.754 nan 8.270 nan 0.000 0.195 217 T N -1.484 113.144 114.554 0.123 0.000 2.881 217 T HA 0.583 4.932 4.350 -0.001 0.000 0.278 217 T C -1.859 172.940 174.700 0.164 0.000 0.982 217 T CA -1.257 60.948 62.100 0.176 0.000 0.989 217 T CB 1.847 70.828 68.868 0.189 0.000 1.058 217 T HN -0.087 nan 8.240 nan 0.000 0.529 218 P HA 0.021 nan 4.420 nan 0.000 0.221 218 P C 0.944 178.265 177.300 0.035 0.000 1.145 218 P CA 0.737 63.882 63.100 0.076 0.000 0.795 218 P CB -0.324 31.402 31.700 0.043 0.000 0.775 219 T N -0.293 114.272 114.554 0.019 0.000 2.701 219 T HA 0.119 4.468 4.350 -0.001 0.000 0.303 219 T C 0.975 175.551 174.700 -0.206 0.000 1.030 219 T CA 0.038 62.075 62.100 -0.104 0.000 1.010 219 T CB 0.201 68.983 68.868 -0.142 0.000 1.007 219 T HN -0.137 nan 8.240 nan 0.000 0.532 220 R N 1.039 121.267 120.500 -0.453 0.000 2.544 220 R HA 0.175 4.514 4.340 -0.001 0.000 0.426 220 R C -0.450 175.308 176.300 -0.904 0.000 0.943 220 R CA -0.110 55.621 56.100 -0.615 0.000 1.162 220 R CB 0.370 30.463 30.300 -0.344 0.000 1.588 220 R HN 0.670 nan 8.270 nan 0.000 0.563 221 Q N 0.459 119.682 119.800 -0.961 0.000 2.456 221 Q HA 0.302 4.641 4.340 -0.001 0.000 0.234 221 Q C -0.399 175.174 176.000 -0.711 0.000 1.061 221 Q CA -0.065 55.355 55.803 -0.639 0.000 0.896 221 Q CB 0.481 29.017 28.738 -0.337 0.000 1.233 221 Q HN 0.008 nan 8.270 nan 0.000 0.506 222 F N -0.905 119.026 119.950 -0.032 0.000 2.729 222 F HA 0.192 4.718 4.527 -0.002 0.000 0.315 222 F C 0.545 176.340 175.800 -0.010 0.000 1.102 222 F CA -0.470 57.525 58.000 -0.009 0.000 1.204 222 F CB 0.916 39.920 39.000 0.007 0.000 1.052 222 F HN 0.152 nan 8.300 nan 0.000 0.551 223 S N 0.257 116.015 115.700 0.097 0.000 2.505 223 S HA 0.246 4.715 4.470 -0.001 0.000 0.276 223 S C 1.066 175.693 174.600 0.045 0.000 1.274 223 S CA -0.118 58.121 58.200 0.066 0.000 1.053 223 S CB 1.163 64.401 63.200 0.063 0.000 0.919 223 S HN 0.214 nan 8.310 nan 0.000 0.490 224 S N 0.632 116.345 115.700 0.020 0.000 2.554 224 S HA 0.165 4.634 4.470 -0.001 0.000 0.227 224 S C 0.180 174.760 174.600 -0.033 0.000 1.050 224 S CA -0.311 57.896 58.200 0.012 0.000 0.927 224 S CB 0.254 63.472 63.200 0.031 0.000 0.859 224 S HN 0.799 nan 8.310 nan 0.000 0.494 225 C N 2.151 121.412 119.300 -0.065 0.000 2.441 225 C HA 0.903 5.362 4.460 -0.001 0.000 0.318 225 C C -0.241 174.646 174.990 -0.173 0.000 1.222 225 C CA -1.322 57.639 59.018 -0.096 0.000 1.474 225 C CB 0.659 28.361 27.740 -0.064 0.000 2.125 225 C HN 0.279 nan 8.230 nan 0.000 0.479 226 V N 3.404 123.185 119.914 -0.220 0.000 2.668 226 V HA 0.774 4.893 4.120 -0.001 0.000 0.304 226 V C -1.556 174.433 176.094 -0.176 0.000 1.071 226 V CA -0.427 61.695 62.300 -0.296 0.000 0.894 226 V CB 1.496 32.930 31.823 -0.648 0.000 1.008 226 V HN 0.738 nan 8.190 nan 0.000 0.425 227 L N 7.290 128.431 121.223 -0.137 0.000 2.287 227 L HA 0.653 4.992 4.340 -0.001 0.000 0.287 227 L C -0.197 176.617 176.870 -0.093 0.000 1.022 227 L CA -0.008 54.768 54.840 -0.107 0.000 0.814 227 L CB 1.519 43.506 42.059 -0.120 0.000 1.217 227 L HN 0.617 nan 8.230 nan 0.000 0.420 228 I N 2.637 123.157 120.570 -0.084 0.000 2.433 228 I HA 0.392 4.561 4.170 -0.001 0.000 0.292 228 I C -0.167 175.902 176.117 -0.080 0.000 1.001 228 I CA -0.607 60.649 61.300 -0.074 0.000 1.119 228 I CB 2.015 39.966 38.000 -0.081 0.000 1.289 228 I HN 0.576 nan 8.210 nan 0.000 0.438 229 E N 5.248 125.412 120.200 -0.060 0.000 2.166 229 E HA 0.356 4.705 4.350 -0.001 0.000 0.275 229 E C -1.589 174.995 176.600 -0.026 0.000 0.941 229 E CA -0.589 55.786 56.400 -0.041 0.000 0.784 229 E CB 2.052 31.730 29.700 -0.037 0.000 1.115 229 E HN 0.696 nan 8.360 nan 0.000 0.399 230 C N 4.475 123.768 119.300 -0.012 0.000 2.303 230 C HA 0.789 5.248 4.460 -0.001 0.000 0.326 230 C C 0.764 175.777 174.990 0.037 0.000 1.285 230 C CA -0.201 58.825 59.018 0.013 0.000 1.675 230 C CB -0.421 27.333 27.740 0.023 0.000 2.289 230 C HN 0.864 nan 8.230 nan 0.000 0.512 231 G N 3.088 111.906 108.800 0.029 0.000 2.588 231 G HA2 0.291 4.250 3.960 -0.001 0.000 0.281 231 G HA3 0.291 4.250 3.960 -0.001 0.000 0.281 231 G C -0.327 174.580 174.900 0.012 0.000 1.236 231 G CA -0.081 45.026 45.100 0.013 0.000 0.969 231 G HN 0.800 nan 8.290 nan 0.000 0.504 232 D N -0.510 119.888 120.400 -0.004 0.000 2.896 232 D HA 0.352 4.991 4.640 -0.001 0.000 0.240 232 D C 0.109 176.409 176.300 0.000 0.000 1.193 232 D CA -0.139 53.862 54.000 0.000 0.000 0.983 232 D CB -0.491 40.303 40.800 -0.010 0.000 1.074 232 D HN 0.453 nan 8.370 nan 0.000 0.496 233 S N 0.060 115.748 115.700 -0.020 0.000 2.535 233 S HA 0.226 4.695 4.470 -0.001 0.000 0.272 233 S C 0.945 175.509 174.600 -0.060 0.000 1.149 233 S CA -0.887 57.299 58.200 -0.022 0.000 0.888 233 S CB 0.784 63.983 63.200 -0.003 0.000 1.110 233 S HN 0.096 nan 8.310 nan 0.000 0.463 234 L N 1.172 122.360 121.223 -0.057 0.000 2.043 234 L HA -0.159 4.180 4.340 -0.001 0.000 0.212 234 L C 1.991 178.850 176.870 -0.018 0.000 1.075 234 L CA 1.771 56.574 54.840 -0.063 0.000 0.752 234 L CB -0.596 41.456 42.059 -0.011 0.000 0.891 234 L HN 0.752 nan 8.230 nan 0.000 0.432 235 D N -0.904 119.498 120.400 0.003 0.000 2.117 235 D HA -0.186 4.453 4.640 -0.001 0.000 0.197 235 D C 2.331 178.651 176.300 0.033 0.000 0.987 235 D CA 1.637 55.650 54.000 0.022 0.000 0.829 235 D CB -0.017 40.796 40.800 0.021 0.000 0.961 235 D HN 0.163 nan 8.370 nan 0.000 0.460 236 S N -0.070 115.644 115.700 0.023 0.000 2.368 236 S HA -0.051 4.419 4.470 -0.001 0.000 0.224 236 S C 2.173 176.818 174.600 0.075 0.000 1.029 236 S CA 0.325 58.549 58.200 0.040 0.000 0.988 236 S CB -0.161 63.055 63.200 0.028 0.000 0.838 236 S HN 0.160 nan 8.310 nan 0.000 0.462 237 I N 1.903 122.499 120.570 0.044 0.000 2.264 237 I HA -0.192 3.977 4.170 -0.001 0.000 0.248 237 I C 2.151 178.396 176.117 0.213 0.000 1.111 237 I CA 1.046 62.411 61.300 0.109 0.000 1.382 237 I CB -0.496 37.371 38.000 -0.222 0.000 1.060 237 I HN 0.303 nan 8.210 nan 0.000 0.418 238 N N 1.060 119.840 118.700 0.133 0.000 2.142 238 N HA -0.081 4.658 4.740 -0.001 0.000 0.186 238 N C 1.910 177.514 175.510 0.157 0.000 1.023 238 N CA 1.503 54.652 53.050 0.166 0.000 0.852 238 N CB -0.338 38.215 38.487 0.110 0.000 0.998 238 N HN 0.333 nan 8.380 nan 0.000 0.424 239 A N 0.405 123.295 122.820 0.116 0.000 1.858 239 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 239 A C 2.358 180.003 177.584 0.102 0.000 1.190 239 A CA 2.142 54.234 52.037 0.092 0.000 0.617 239 A CB -1.252 17.788 19.000 0.067 0.000 0.827 239 A HN 0.297 nan 8.150 nan 0.000 0.443 240 T N -0.311 114.311 114.554 0.113 0.000 2.607 240 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 240 T C 2.286 177.056 174.700 0.118 0.000 1.049 240 T CA 2.095 64.234 62.100 0.066 0.000 1.162 240 T CB -0.580 68.284 68.868 -0.007 0.000 0.863 240 T HN 0.566 nan 8.240 nan 0.000 0.424 241 S N 0.465 116.339 115.700 0.291 0.000 2.374 241 S HA -0.174 4.296 4.470 -0.001 0.000 0.227 241 S C 2.379 177.061 174.600 0.138 0.000 1.037 241 S CA 1.924 60.289 58.200 0.276 0.000 1.024 241 S CB -0.614 62.782 63.200 0.325 0.000 0.861 241 S HN 0.420 nan 8.310 nan 0.000 0.456 242 S N 0.864 116.639 115.700 0.125 0.000 2.368 242 S HA 0.025 4.494 4.470 -0.001 0.000 0.225 242 S C 2.191 176.828 174.600 0.061 0.000 1.030 242 S CA 1.061 59.309 58.200 0.080 0.000 0.999 242 S CB -0.658 62.585 63.200 0.072 0.000 0.844 242 S HN 0.719 nan 8.310 nan 0.000 0.459 243 A N 1.403 124.269 122.820 0.077 0.000 1.877 243 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 243 A C 2.029 179.695 177.584 0.137 0.000 1.186 243 A CA 1.310 53.405 52.037 0.098 0.000 0.620 243 A CB -0.729 18.342 19.000 0.118 0.000 0.822 243 A HN 0.507 nan 8.150 nan 0.000 0.443 244 I N -0.398 120.237 120.570 0.108 0.000 2.208 244 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 244 I C 2.317 178.492 176.117 0.098 0.000 1.097 244 I CA 1.158 62.523 61.300 0.108 0.000 1.363 244 I CB -0.384 37.655 38.000 0.066 0.000 1.051 244 I HN 0.150 nan 8.210 nan 0.000 0.413 245 V N 0.741 120.693 119.914 0.062 0.000 2.343 245 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 245 V C 2.555 178.659 176.094 0.017 0.000 1.051 245 V CA 1.667 63.989 62.300 0.036 0.000 1.036 245 V CB -0.687 31.149 31.823 0.022 0.000 0.654 245 V HN 0.352 nan 8.190 nan 0.000 0.451 246 K N -0.832 119.560 120.400 -0.013 0.000 2.026 246 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 246 K C 2.154 178.682 176.600 -0.120 0.000 1.048 246 K CA 1.767 57.991 56.287 -0.105 0.000 0.929 246 K CB -0.494 31.887 32.500 -0.198 0.000 0.713 246 K HN 0.476 nan 8.250 nan 0.000 0.439 247 Y N 0.975 121.275 120.300 -0.000 0.000 2.200 247 Y HA -0.170 4.379 4.550 -0.002 0.000 0.290 247 Y C 2.283 178.181 175.900 -0.002 0.000 1.137 247 Y CA 0.984 59.082 58.100 -0.004 0.000 1.163 247 Y CB -0.636 37.825 38.460 0.001 0.000 0.988 247 Y HN -0.093 nan 8.280 nan 0.000 0.518 248 V N -2.084 117.923 119.914 0.155 0.000 2.970 248 V HA -0.134 3.985 4.120 -0.001 0.000 0.260 248 V C 2.048 178.179 176.094 0.062 0.000 1.100 248 V CA 1.534 63.891 62.300 0.096 0.000 1.122 248 V CB -1.133 30.734 31.823 0.072 0.000 0.721 248 V HN 0.440 nan 8.190 nan 0.000 0.483 249 S N 0.023 115.747 115.700 0.040 0.000 2.481 249 S HA -0.111 4.358 4.470 -0.001 0.000 0.231 249 S C 1.771 176.377 174.600 0.011 0.000 0.996 249 S CA 1.203 59.411 58.200 0.014 0.000 0.942 249 S CB -0.441 62.753 63.200 -0.009 0.000 0.768 249 S HN 0.753 nan 8.310 nan 0.000 0.520 250 Q N 0.050 119.866 119.800 0.027 0.000 2.219 250 Q HA 0.383 4.722 4.340 -0.001 0.000 0.209 250 Q C -0.280 175.750 176.000 0.050 0.000 0.854 250 Q CA -0.283 55.533 55.803 0.023 0.000 0.960 250 Q CB 0.320 29.069 28.738 0.018 0.000 1.116 250 Q HN 0.487 nan 8.270 nan 0.000 0.500 251 R N -0.993 119.545 120.500 0.064 0.000 3.739 251 R HA -0.124 4.215 4.340 -0.001 0.000 0.338 251 R C -0.762 175.578 176.300 0.067 0.000 1.151 251 R CA 0.379 56.516 56.100 0.061 0.000 0.873 251 R CB -1.970 28.360 30.300 0.050 0.000 1.455 251 R HN 0.208 nan 8.270 nan 0.000 0.502 252 A N 0.500 123.370 122.820 0.083 0.000 2.301 252 A HA 0.699 5.018 4.320 -0.001 0.000 0.312 252 A C 0.814 178.406 177.584 0.014 0.000 1.182 252 A CA 0.266 52.325 52.037 0.037 0.000 0.826 252 A CB 0.947 19.950 19.000 0.005 0.000 1.134 252 A HN 0.284 nan 8.150 nan 0.000 0.501 253 G N 1.147 109.945 108.800 -0.003 0.000 2.432 253 G HA2 0.492 4.452 3.960 -0.001 0.000 0.257 253 G HA3 0.492 4.452 3.960 -0.001 0.000 0.257 253 G C -0.258 174.623 174.900 -0.032 0.000 1.238 253 G CA -0.255 44.847 45.100 0.003 0.000 0.838 253 G HN 0.533 nan 8.290 nan 0.000 0.547 254 I N 1.169 121.734 120.570 -0.009 0.000 2.474 254 I HA 0.493 4.662 4.170 -0.001 0.000 0.294 254 I C 0.562 176.684 176.117 0.009 0.000 1.005 254 I CA -0.732 60.551 61.300 -0.028 0.000 1.113 254 I CB 1.425 39.416 38.000 -0.016 0.000 1.289 254 I HN 0.541 nan 8.210 nan 0.000 0.436 255 G N 6.576 115.380 108.800 0.006 0.000 2.487 255 G HA2 0.731 4.690 3.960 -0.001 0.000 0.314 255 G HA3 0.731 4.690 3.960 -0.001 0.000 0.314 255 G C -0.883 174.052 174.900 0.059 0.000 1.267 255 G CA -0.305 44.858 45.100 0.105 0.000 0.937 255 G HN 0.442 nan 8.290 nan 0.000 0.481 256 I N 2.132 122.769 120.570 0.111 0.000 2.378 256 I HA 0.248 4.417 4.170 -0.001 0.000 0.291 256 I C -0.544 175.647 176.117 0.123 0.000 0.992 256 I CA -1.023 60.274 61.300 -0.004 0.000 1.154 256 I CB 2.188 40.084 38.000 -0.173 0.000 1.315 256 I HN 0.326 nan 8.210 nan 0.000 0.448 257 N N 5.401 124.135 118.700 0.057 0.000 2.457 257 N HA 0.470 5.209 4.740 -0.001 0.000 0.250 257 N C -0.200 175.384 175.510 0.123 0.000 0.982 257 N CA -0.296 52.844 53.050 0.151 0.000 0.941 257 N CB 1.621 40.156 38.487 0.081 0.000 1.120 257 N HN 0.726 nan 8.380 nan 0.000 0.505 258 A N 2.350 125.280 122.820 0.183 0.000 2.637 258 A HA 0.377 4.696 4.320 -0.001 0.000 0.293 258 A C 1.432 179.195 177.584 0.298 0.000 1.216 258 A CA -0.071 52.097 52.037 0.219 0.000 0.956 258 A CB -0.278 18.860 19.000 0.229 0.000 1.174 258 A HN 0.644 nan 8.150 nan 0.000 0.525 259 G N 0.352 109.340 108.800 0.314 0.000 2.443 259 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.219 259 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.219 259 G C 1.530 176.508 174.900 0.130 0.000 1.131 259 G CA 0.575 45.880 45.100 0.342 0.000 0.775 259 G HN 0.566 nan 8.290 nan 0.000 0.547 260 R N -0.241 120.213 120.500 -0.077 0.000 2.153 260 R HA 0.190 4.530 4.340 -0.001 0.000 0.218 260 R C 0.735 177.035 176.300 0.000 0.000 1.072 260 R CA -0.152 55.819 56.100 -0.215 0.000 0.990 260 R CB -0.160 29.983 30.300 -0.263 0.000 0.889 260 R HN 0.302 nan 8.270 nan 0.000 0.452 261 I N 3.985 124.622 120.570 0.112 0.000 2.828 261 I HA -0.146 4.023 4.170 -0.001 0.000 0.292 261 I C 0.605 176.792 176.117 0.117 0.000 1.206 261 I CA 0.364 61.744 61.300 0.133 0.000 1.420 261 I CB 0.072 38.216 38.000 0.239 0.000 1.368 261 I HN 0.229 nan 8.210 nan 0.000 0.556 262 R N 5.816 126.279 120.500 -0.062 0.000 2.734 262 R HA 0.519 4.858 4.340 -0.001 0.000 0.266 262 R C 0.085 176.191 176.300 -0.322 0.000 1.044 262 R CA -0.700 55.283 56.100 -0.195 0.000 1.128 262 R CB 0.176 30.331 30.300 -0.243 0.000 1.010 262 R HN 0.622 nan 8.270 nan 0.000 0.461 263 A N 2.360 125.066 122.820 -0.189 0.000 2.346 263 A HA 0.238 4.557 4.320 -0.001 0.000 0.252 263 A C -0.061 177.458 177.584 -0.109 0.000 1.089 263 A CA -0.737 51.262 52.037 -0.063 0.000 0.797 263 A CB 0.264 19.228 19.000 -0.060 0.000 1.047 263 A HN 0.704 nan 8.150 nan 0.000 0.494 264 L N 1.204 122.435 121.223 0.013 0.000 2.540 264 L HA 0.446 4.785 4.340 -0.001 0.000 0.276 264 L C 1.243 178.167 176.870 0.090 0.000 1.212 264 L CA 2.112 57.005 54.840 0.088 0.000 0.893 264 L CB 0.065 42.153 42.059 0.048 0.000 1.138 264 L HN 1.677 nan 8.230 nan 0.000 0.491 265 G N 2.258 111.158 108.800 0.165 0.000 2.284 265 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.230 265 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.230 265 G C 0.630 175.641 174.900 0.184 0.000 1.021 265 G CA 0.185 45.416 45.100 0.218 0.000 0.619 265 G HN 0.902 nan 8.290 nan 0.000 0.510 266 S N 3.386 119.124 115.700 0.062 0.000 2.559 266 S HA 0.408 4.877 4.470 -0.001 0.000 0.282 266 S C -1.684 172.829 174.600 -0.145 0.000 1.336 266 S CA 0.232 58.401 58.200 -0.052 0.000 1.037 266 S CB 0.984 64.134 63.200 -0.083 0.000 0.853 266 S HN 0.463 nan 8.310 nan 0.000 0.523 267 P HA 0.325 nan 4.420 nan 0.000 0.275 267 P C -1.027 176.155 177.300 -0.196 0.000 1.227 267 P CA -0.153 62.654 63.100 -0.488 0.000 0.781 267 P CB 0.265 31.698 31.700 -0.444 0.000 0.906 268 I N 3.079 123.561 120.570 -0.147 0.000 2.447 268 I HA 0.435 4.604 4.170 -0.001 0.000 0.287 268 I C 1.143 177.243 176.117 -0.029 0.000 1.023 268 I CA -0.695 60.587 61.300 -0.030 0.000 1.083 268 I CB 1.770 39.787 38.000 0.029 0.000 1.245 268 I HN 0.392 nan 8.210 nan 0.000 0.434 269 R N 4.286 124.773 120.500 -0.020 0.000 3.840 269 R HA -0.172 4.167 4.340 -0.001 0.000 0.464 269 R C 0.488 176.775 176.300 -0.022 0.000 0.986 269 R CA 1.545 57.638 56.100 -0.012 0.000 1.305 269 R CB -1.404 28.898 30.300 0.003 0.000 1.950 269 R HN 1.358 nan 8.270 nan 0.000 0.526 270 G N -2.951 105.820 108.800 -0.049 0.000 1.695 270 G HA2 0.094 4.053 3.960 -0.001 0.000 0.089 270 G HA3 0.094 4.053 3.960 -0.001 0.000 0.089 270 G C 0.426 175.271 174.900 -0.092 0.000 1.061 270 G CA -0.131 44.937 45.100 -0.054 0.000 1.207 270 G HN 0.904 nan 8.290 nan 0.000 0.389 271 G N -0.123 108.658 108.800 -0.031 0.000 4.110 271 G HA2 0.484 4.443 3.960 -0.001 0.000 0.292 271 G HA3 0.484 4.443 3.960 -0.001 0.000 0.292 271 G C 0.593 175.575 174.900 0.137 0.000 1.020 271 G CA 0.892 46.005 45.100 0.022 0.000 0.808 271 G HN 0.340 nan 8.290 nan 0.000 0.474 272 E N 0.409 120.655 120.200 0.076 0.000 2.447 272 E HA 0.335 4.685 4.350 -0.001 0.000 0.195 272 E C 0.899 177.572 176.600 0.123 0.000 1.028 272 E CA 0.467 56.922 56.400 0.091 0.000 0.876 272 E CB 1.225 30.954 29.700 0.048 0.000 0.885 272 E HN 0.411 nan 8.360 nan 0.000 0.500 273 A N 0.392 123.294 122.820 0.138 0.000 2.594 273 A HA 0.662 4.981 4.320 -0.001 0.000 0.295 273 A C -1.652 176.062 177.584 0.217 0.000 1.071 273 A CA -0.629 51.514 52.037 0.176 0.000 0.685 273 A CB 1.045 20.093 19.000 0.080 0.000 1.285 273 A HN 0.009 nan 8.150 nan 0.000 0.405 274 F N 2.077 122.041 119.950 0.024 0.000 2.577 274 F HA 0.323 4.849 4.527 -0.002 0.000 0.344 274 F C 0.641 176.483 175.800 0.071 0.000 1.145 274 F CA -0.297 57.732 58.000 0.048 0.000 0.996 274 F CB 1.075 40.092 39.000 0.028 0.000 1.248 274 F HN 0.746 nan 8.300 nan 0.000 0.447 275 H N 1.368 120.504 119.070 0.110 0.000 3.184 275 H HA -0.125 4.430 4.556 -0.002 0.000 0.318 275 H C 0.811 176.182 175.328 0.073 0.000 1.012 275 H CA 1.599 57.700 56.048 0.090 0.000 1.310 275 H CB 1.001 30.808 29.762 0.076 0.000 1.204 275 H HN 0.657 nan 8.280 nan 0.000 0.597 276 T N 2.960 117.465 114.554 -0.081 0.000 3.065 276 T HA 0.247 4.596 4.350 -0.001 0.000 0.252 276 T C 0.556 175.277 174.700 0.035 0.000 1.099 276 T CA 0.734 62.796 62.100 -0.065 0.000 1.063 276 T CB -0.021 68.698 68.868 -0.248 0.000 0.948 276 T HN 1.006 nan 8.240 nan 0.000 0.506 277 G N -0.275 108.757 108.800 0.387 0.000 2.498 277 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.651 277 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.651 277 G C 0.602 175.639 174.900 0.228 0.000 1.284 277 G CA -0.490 44.758 45.100 0.247 0.000 0.950 277 G HN 0.201 nan 8.290 nan 0.000 0.511 278 C N 0.277 119.566 119.300 -0.019 0.000 2.527 278 C HA 0.228 4.688 4.460 -0.001 0.000 0.280 278 C C 2.898 177.659 174.990 -0.382 0.000 1.353 278 C CA 0.790 59.731 59.018 -0.127 0.000 1.749 278 C CB -1.305 26.113 27.740 -0.537 0.000 2.088 278 C HN 0.620 nan 8.230 nan 0.000 0.508 279 I N 2.705 123.020 120.570 -0.425 0.000 2.087 279 I HA -0.175 3.994 4.170 -0.001 0.000 0.240 279 I C -0.257 175.768 176.117 -0.153 0.000 1.054 279 I CA 2.159 63.274 61.300 -0.308 0.000 1.311 279 I CB -2.768 35.101 38.000 -0.218 0.000 1.024 279 I HN 0.166 nan 8.210 nan 0.000 0.402 280 P HA -0.189 nan 4.420 nan 0.000 0.216 280 P C 1.961 179.083 177.300 -0.297 0.000 1.157 280 P CA 1.778 64.686 63.100 -0.319 0.000 0.880 280 P CB -0.218 31.157 31.700 -0.542 0.000 0.791 281 F N -2.628 117.275 119.950 -0.079 0.000 2.146 281 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 281 F C 2.455 178.121 175.800 -0.223 0.000 1.096 281 F CA 1.031 58.912 58.000 -0.198 0.000 1.275 281 F CB -1.757 37.150 39.000 -0.154 0.000 1.008 281 F HN -0.103 nan 8.300 nan 0.000 0.480 282 Y N 0.859 121.171 120.300 0.020 0.000 2.114 282 Y HA -0.244 4.305 4.550 -0.002 0.000 0.282 282 Y C 2.296 178.277 175.900 0.135 0.000 1.165 282 Y CA 0.884 59.084 58.100 0.167 0.000 1.148 282 Y CB -1.331 37.268 38.460 0.231 0.000 0.972 282 Y HN 0.082 nan 8.280 nan 0.000 0.504 283 K N -1.222 119.318 120.400 0.233 0.000 2.147 283 K HA -0.230 4.089 4.320 -0.001 0.000 0.205 283 K C 1.920 178.620 176.600 0.167 0.000 1.049 283 K CA 1.550 57.939 56.287 0.170 0.000 0.936 283 K CB -0.324 32.232 32.500 0.093 0.000 0.722 283 K HN 0.333 nan 8.250 nan 0.000 0.446 284 H N -0.139 118.927 119.070 -0.006 0.000 2.395 284 H HA -0.065 4.490 4.556 -0.002 0.000 0.299 284 H C 1.506 176.895 175.328 0.102 0.000 1.070 284 H CA 1.418 57.463 56.048 -0.005 0.000 1.356 284 H CB 0.016 29.741 29.762 -0.061 0.000 1.401 284 H HN 0.041 nan 8.280 nan 0.000 0.524 285 F N 0.665 120.731 119.950 0.194 0.000 2.146 285 F HA -0.129 4.397 4.527 -0.002 0.000 0.298 285 F C 2.779 178.608 175.800 0.049 0.000 1.096 285 F CA 1.367 59.418 58.000 0.085 0.000 1.275 285 F CB -1.061 38.002 39.000 0.104 0.000 1.008 285 F HN 0.290 nan 8.300 nan 0.000 0.480 286 Q N 0.255 120.212 119.800 0.262 0.000 2.096 286 Q HA -0.214 4.125 4.340 -0.001 0.000 0.204 286 Q C 2.127 178.200 176.000 0.121 0.000 0.982 286 Q CA 2.692 58.603 55.803 0.180 0.000 0.850 286 Q CB -0.178 28.676 28.738 0.194 0.000 0.901 286 Q HN 0.538 nan 8.270 nan 0.000 0.422 287 T N -2.041 112.569 114.554 0.092 0.000 2.904 287 T HA 0.053 4.402 4.350 -0.001 0.000 0.267 287 T C 1.840 176.549 174.700 0.015 0.000 1.059 287 T CA 0.866 62.994 62.100 0.047 0.000 1.137 287 T CB -0.327 68.566 68.868 0.041 0.000 0.879 287 T HN 0.340 nan 8.240 nan 0.000 0.467 288 A N 1.525 124.343 122.820 -0.003 0.000 1.877 288 A HA 0.055 4.374 4.320 -0.001 0.000 0.216 288 A C 2.621 180.232 177.584 0.046 0.000 1.186 288 A CA 1.594 53.635 52.037 0.007 0.000 0.620 288 A CB -1.156 17.863 19.000 0.032 0.000 0.822 288 A HN 0.397 nan 8.150 nan 0.000 0.443 289 V N -0.285 119.671 119.914 0.070 0.000 2.332 289 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 289 V C 2.194 178.319 176.094 0.052 0.000 1.055 289 V CA 2.372 64.711 62.300 0.065 0.000 1.038 289 V CB -0.568 31.299 31.823 0.073 0.000 0.651 289 V HN 0.442 nan 8.190 nan 0.000 0.450 290 K N 0.366 120.794 120.400 0.047 0.000 2.417 290 K HA 0.094 4.413 4.320 -0.001 0.000 0.196 290 K C 2.062 178.675 176.600 0.021 0.000 1.023 290 K CA 0.628 56.933 56.287 0.029 0.000 1.122 290 K CB -0.167 32.345 32.500 0.020 0.000 0.850 290 K HN 0.543 nan 8.250 nan 0.000 0.521 291 S N -0.114 115.600 115.700 0.024 0.000 2.419 291 S HA -0.119 4.350 4.470 -0.001 0.000 0.235 291 S C 1.224 175.834 174.600 0.016 0.000 1.019 291 S CA 1.030 59.241 58.200 0.018 0.000 0.982 291 S CB -0.029 63.181 63.200 0.016 0.000 0.789 291 S HN 0.146 nan 8.310 nan 0.000 0.490 292 A N 0.798 123.630 122.820 0.019 0.000 3.219 292 A HA 0.722 5.041 4.320 -0.001 0.000 0.314 292 A C -0.089 177.505 177.584 0.017 0.000 1.081 292 A CA -0.597 51.450 52.037 0.016 0.000 0.995 292 A CB 0.322 19.332 19.000 0.018 0.000 1.067 292 A HN 0.290 nan 8.150 nan 0.000 0.533 293 S N 0.366 116.073 115.700 0.012 0.000 2.521 293 S HA 0.328 4.797 4.470 -0.001 0.000 0.295 293 S C -0.425 174.177 174.600 0.002 0.000 1.098 293 S CA -0.559 57.646 58.200 0.008 0.000 0.999 293 S CB 1.456 64.657 63.200 0.002 0.000 1.034 293 S HN 0.518 nan 8.310 nan 0.000 0.483 294 Q N 1.587 121.388 119.800 0.003 0.000 2.283 294 Q HA 0.263 4.602 4.340 -0.001 0.000 0.269 294 Q C 1.242 177.238 176.000 -0.006 0.000 1.187 294 Q CA 1.320 57.124 55.803 0.001 0.000 0.922 294 Q CB 0.000 28.741 28.738 0.005 0.000 1.323 294 Q HN 1.190 nan 8.270 nan 0.000 0.432 295 G N 2.809 111.605 108.800 -0.007 0.000 2.729 295 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.216 295 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.216 295 G C 0.536 175.423 174.900 -0.021 0.000 1.252 295 G CA -0.028 45.065 45.100 -0.013 0.000 0.751 295 G HN 1.363 nan 8.290 nan 0.000 0.527 296 G N -2.037 106.743 108.800 -0.033 0.000 2.223 296 G HA2 0.310 4.269 3.960 -0.001 0.000 0.200 296 G HA3 0.310 4.269 3.960 -0.001 0.000 0.200 296 G C 0.367 175.205 174.900 -0.103 0.000 1.061 296 G CA 0.868 45.940 45.100 -0.047 0.000 0.790 296 G HN 1.592 nan 8.290 nan 0.000 0.498 297 V N -0.109 119.747 119.914 -0.097 0.000 3.161 297 V HA 0.280 4.399 4.120 -0.001 0.000 0.228 297 V C 1.048 177.108 176.094 -0.058 0.000 1.415 297 V CA 0.291 62.504 62.300 -0.145 0.000 1.285 297 V CB 0.259 31.989 31.823 -0.155 0.000 1.100 297 V HN 0.325 nan 8.190 nan 0.000 0.478 298 R N 1.969 122.453 120.500 -0.027 0.000 2.296 298 R HA 0.482 4.821 4.340 -0.001 0.000 0.323 298 R C 0.619 176.929 176.300 0.017 0.000 1.067 298 R CA 0.936 57.037 56.100 0.002 0.000 0.946 298 R CB -0.171 30.132 30.300 0.005 0.000 0.991 298 R HN 0.536 nan 8.270 nan 0.000 0.448 299 G N 1.368 110.187 108.800 0.032 0.000 2.860 299 G HA2 0.040 3.999 3.960 -0.001 0.000 0.553 299 G HA3 0.040 3.999 3.960 -0.001 0.000 0.553 299 G C 0.173 175.099 174.900 0.044 0.000 1.439 299 G CA -0.148 44.977 45.100 0.043 0.000 0.879 299 G HN 1.105 nan 8.290 nan 0.000 0.545 300 G N -1.460 107.371 108.800 0.051 0.000 2.883 300 G HA2 0.489 4.448 3.960 -0.001 0.000 0.219 300 G HA3 0.489 4.448 3.960 -0.001 0.000 0.219 300 G C 0.364 175.299 174.900 0.058 0.000 0.908 300 G CA 0.994 46.125 45.100 0.053 0.000 0.978 300 G HN 2.652 nan 8.290 nan 0.000 0.365 301 A N 1.524 124.381 122.820 0.062 0.000 2.384 301 A HA 1.203 5.522 4.320 -0.001 0.000 0.312 301 A C 0.325 177.942 177.584 0.056 0.000 1.113 301 A CA 0.126 52.205 52.037 0.070 0.000 0.779 301 A CB 2.054 21.110 19.000 0.095 0.000 1.307 301 A HN 2.675 nan 8.150 nan 0.000 0.436 302 A N 0.080 122.928 122.820 0.048 0.000 2.604 302 A HA 0.781 5.100 4.320 -0.001 0.000 0.295 302 A C -0.674 176.908 177.584 -0.003 0.000 1.067 302 A CA -0.378 51.674 52.037 0.025 0.000 0.683 302 A CB 1.260 20.264 19.000 0.007 0.000 1.281 302 A HN 0.943 nan 8.150 nan 0.000 0.407 303 T N 1.713 116.277 114.554 0.017 0.000 2.841 303 T HA 0.555 4.904 4.350 -0.001 0.000 0.285 303 T C -0.886 173.745 174.700 -0.114 0.000 0.991 303 T CA -0.158 61.905 62.100 -0.062 0.000 0.966 303 T CB 0.962 69.861 68.868 0.052 0.000 0.962 303 T HN 0.610 nan 8.240 nan 0.000 0.438 304 L N 4.114 125.172 121.223 -0.275 0.000 2.296 304 L HA 0.678 5.017 4.340 -0.001 0.000 0.286 304 L C -1.322 175.437 176.870 -0.185 0.000 1.023 304 L CA -0.679 54.092 54.840 -0.115 0.000 0.812 304 L CB 0.442 42.452 42.059 -0.081 0.000 1.223 304 L HN 0.519 nan 8.230 nan 0.000 0.421 305 F N 4.450 124.450 119.950 0.084 0.000 2.432 305 F HA 0.597 5.124 4.527 -0.000 0.000 0.329 305 F C -0.420 175.490 175.800 0.184 0.000 1.076 305 F CA -0.256 57.784 58.000 0.067 0.000 1.018 305 F CB 1.400 40.450 39.000 0.083 0.000 1.201 305 F HN 0.372 nan 8.300 nan 0.000 0.489 306 Y N 0.116 120.600 120.300 0.307 0.000 2.592 306 Y HA 0.608 5.157 4.550 -0.002 0.000 0.334 306 Y C -3.368 172.615 175.900 0.139 0.000 1.136 306 Y CA -3.619 54.611 58.100 0.217 0.000 1.042 306 Y CB 0.435 38.959 38.460 0.107 0.000 1.325 306 Y HN 0.239 nan 8.280 nan 0.000 0.457 307 P HA 0.068 nan 4.420 nan 0.000 0.269 307 P C 0.478 177.687 177.300 -0.152 0.000 1.215 307 P CA -0.205 62.761 63.100 -0.223 0.000 0.780 307 P CB 1.172 32.193 31.700 -1.132 0.000 0.898 308 M N 1.821 121.319 119.600 -0.171 0.000 2.419 308 M HA -0.011 4.468 4.480 -0.001 0.000 0.264 308 M C 1.014 177.329 176.300 0.026 0.000 1.082 308 M CA 1.332 56.615 55.300 -0.029 0.000 1.119 308 M CB -0.165 32.410 32.600 -0.042 0.000 1.398 308 M HN 0.478 nan 8.290 nan 0.000 0.453 309 W N -0.836 120.514 121.300 0.083 0.000 3.290 309 W HA 0.158 4.817 4.660 -0.001 0.000 0.287 309 W C 0.351 176.965 176.519 0.159 0.000 1.288 309 W CA -0.431 56.998 57.345 0.141 0.000 1.725 309 W CB -1.383 28.236 29.460 0.265 0.000 1.103 309 W HN 0.043 nan 8.180 nan 0.000 0.670 310 H N 2.275 121.258 119.070 -0.146 0.000 3.016 310 H HA -0.113 4.442 4.556 -0.001 0.000 0.345 310 H C 1.037 176.385 175.328 0.033 0.000 1.066 310 H CA 0.876 56.880 56.048 -0.073 0.000 1.390 310 H CB 1.619 31.282 29.762 -0.164 0.000 1.344 310 H HN 0.062 nan 8.280 nan 0.000 0.605 311 L N 3.928 125.124 121.223 -0.045 0.000 2.191 311 L HA -0.106 4.233 4.340 -0.001 0.000 0.212 311 L C 1.518 178.446 176.870 0.097 0.000 1.103 311 L CA 1.723 56.576 54.840 0.022 0.000 0.769 311 L CB -0.236 41.785 42.059 -0.064 0.000 0.908 311 L HN 0.682 nan 8.230 nan 0.000 0.438 312 E N -1.538 118.822 120.200 0.267 0.000 2.394 312 E HA -0.009 4.340 4.350 -0.001 0.000 0.191 312 E C 1.878 178.406 176.600 -0.120 0.000 1.044 312 E CA -0.016 56.399 56.400 0.025 0.000 0.939 312 E CB 0.294 29.954 29.700 -0.067 0.000 1.089 312 E HN 0.310 nan 8.360 nan 0.000 0.456 313 V N 1.159 121.036 119.914 -0.061 0.000 2.392 313 V HA -0.313 3.806 4.120 -0.001 0.000 0.249 313 V C 1.793 177.815 176.094 -0.120 0.000 1.059 313 V CA 2.077 64.303 62.300 -0.123 0.000 1.051 313 V CB -0.032 31.796 31.823 0.008 0.000 0.658 313 V HN 0.309 nan 8.190 nan 0.000 0.455 314 E N -0.203 119.949 120.200 -0.081 0.000 2.204 314 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 314 E C 2.247 178.782 176.600 -0.108 0.000 0.989 314 E CA 1.478 57.832 56.400 -0.075 0.000 0.824 314 E CB -0.121 29.548 29.700 -0.051 0.000 0.756 314 E HN 0.691 nan 8.360 nan 0.000 0.477 315 S N 0.614 116.228 115.700 -0.144 0.000 2.446 315 S HA 0.034 4.504 4.470 -0.001 0.000 0.225 315 S C 1.997 176.452 174.600 -0.241 0.000 1.016 315 S CA 0.307 58.406 58.200 -0.167 0.000 0.943 315 S CB 0.040 63.141 63.200 -0.166 0.000 0.786 315 S HN 0.153 nan 8.310 nan 0.000 0.508 316 L N 0.802 121.823 121.223 -0.336 0.000 2.072 316 L HA -0.007 4.332 4.340 -0.001 0.000 0.205 316 L C 2.105 178.775 176.870 -0.334 0.000 1.079 316 L CA 0.589 55.135 54.840 -0.490 0.000 0.752 316 L CB -0.558 40.936 42.059 -0.941 0.000 0.906 316 L HN 0.257 nan 8.230 nan 0.000 0.436 317 L N 0.109 121.234 121.223 -0.164 0.000 2.187 317 L HA -0.131 4.208 4.340 -0.001 0.000 0.213 317 L C 1.995 178.815 176.870 -0.083 0.000 1.100 317 L CA 1.580 56.390 54.840 -0.050 0.000 0.765 317 L CB -0.624 41.422 42.059 -0.023 0.000 0.904 317 L HN 0.250 nan 8.230 nan 0.000 0.437 318 V N -5.037 114.810 119.914 -0.112 0.000 3.177 318 V HA 0.155 4.274 4.120 -0.001 0.000 0.342 318 V C 1.744 177.781 176.094 -0.095 0.000 1.379 318 V CA -0.011 62.239 62.300 -0.084 0.000 1.191 318 V CB -0.464 31.319 31.823 -0.067 0.000 1.167 318 V HN 0.196 nan 8.190 nan 0.000 0.471 319 L N 0.779 121.906 121.223 -0.161 0.000 2.131 319 L HA -0.037 4.302 4.340 -0.001 0.000 0.210 319 L C 2.502 179.382 176.870 0.016 0.000 1.092 319 L CA 1.770 56.539 54.840 -0.117 0.000 0.759 319 L CB -0.279 41.618 42.059 -0.271 0.000 0.903 319 L HN 0.490 nan 8.230 nan 0.000 0.435 320 K N -1.041 119.395 120.400 0.059 0.000 2.374 320 K HA 0.069 4.388 4.320 -0.001 0.000 0.196 320 K C 0.484 177.082 176.600 -0.004 0.000 1.023 320 K CA -0.265 56.056 56.287 0.056 0.000 1.103 320 K CB -0.231 32.322 32.500 0.089 0.000 0.848 320 K HN 0.144 nan 8.250 nan 0.000 0.528 321 N N 3.827 122.518 118.700 -0.015 0.000 2.359 321 N HA -0.085 4.654 4.740 -0.001 0.000 0.261 321 N C 0.220 175.714 175.510 -0.027 0.000 1.267 321 N CA 0.308 53.344 53.050 -0.023 0.000 0.864 321 N CB 0.510 38.980 38.487 -0.029 0.000 1.063 321 N HN 0.337 nan 8.380 nan 0.000 0.474 322 N N 3.328 122.014 118.700 -0.024 0.000 2.434 322 N HA -0.070 4.669 4.740 -0.001 0.000 0.196 322 N C -0.214 175.285 175.510 -0.018 0.000 1.183 322 N CA 0.320 53.357 53.050 -0.023 0.000 0.849 322 N CB 0.158 38.635 38.487 -0.017 0.000 0.992 322 N HN 0.469 nan 8.380 nan 0.000 0.460 323 R N 0.026 120.514 120.500 -0.020 0.000 2.467 323 R HA 0.529 4.868 4.340 -0.001 0.000 0.299 323 R C -0.951 175.337 176.300 -0.021 0.000 1.120 323 R CA -0.333 55.756 56.100 -0.018 0.000 0.940 323 R CB 0.851 31.142 30.300 -0.016 0.000 1.161 323 R HN 0.305 nan 8.270 nan 0.000 0.506 324 G N 0.974 109.762 108.800 -0.019 0.000 2.328 324 G HA2 0.113 4.072 3.960 -0.001 0.000 0.295 324 G HA3 0.113 4.072 3.960 -0.001 0.000 0.295 324 G C -1.688 173.200 174.900 -0.020 0.000 1.413 324 G CA -0.672 44.415 45.100 -0.022 0.000 0.817 324 G HN 0.329 nan 8.290 nan 0.000 0.546 325 V N 0.452 120.353 119.914 -0.022 0.000 2.655 325 V HA 0.303 4.422 4.120 -0.001 0.000 0.300 325 V C 1.791 177.874 176.094 -0.019 0.000 1.044 325 V CA 1.103 63.391 62.300 -0.020 0.000 1.095 325 V CB 1.443 33.252 31.823 -0.023 0.000 0.952 325 V HN 0.997 nan 8.190 nan 0.000 0.485 326 E N 4.814 125.007 120.200 -0.011 0.000 2.130 326 E HA -0.111 4.238 4.350 -0.001 0.000 0.196 326 E C 1.829 178.423 176.600 -0.010 0.000 0.998 326 E CA 1.988 58.385 56.400 -0.005 0.000 0.806 326 E CB -0.630 29.072 29.700 0.004 0.000 0.738 326 E HN 0.911 nan 8.360 nan 0.000 0.459 327 G N -0.798 107.990 108.800 -0.020 0.000 2.776 327 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.209 327 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.209 327 G C 0.925 175.800 174.900 -0.043 0.000 1.145 327 G CA 0.467 45.548 45.100 -0.031 0.000 0.791 327 G HN 0.306 nan 8.290 nan 0.000 0.530 328 N N -0.552 118.123 118.700 -0.041 0.000 2.299 328 N HA 0.170 4.909 4.740 -0.001 0.000 0.246 328 N C -0.533 174.947 175.510 -0.050 0.000 1.254 328 N CA -0.359 52.658 53.050 -0.056 0.000 0.879 328 N CB 0.730 39.181 38.487 -0.059 0.000 1.214 328 N HN -0.096 nan 8.380 nan 0.000 0.510 329 R N 1.104 121.588 120.500 -0.026 0.000 2.532 329 R HA 0.376 4.715 4.340 -0.001 0.000 0.297 329 R C -1.039 175.275 176.300 0.024 0.000 0.984 329 R CA -0.559 55.533 56.100 -0.013 0.000 0.884 329 R CB 1.867 32.154 30.300 -0.021 0.000 1.182 329 R HN -0.176 nan 8.270 nan 0.000 0.442 330 V N 4.999 124.955 119.914 0.070 0.000 2.260 330 V HA 0.283 4.402 4.120 -0.001 0.000 0.263 330 V C 1.346 177.523 176.094 0.138 0.000 1.036 330 V CA -0.460 61.929 62.300 0.150 0.000 0.874 330 V CB 0.685 32.682 31.823 0.291 0.000 1.116 330 V HN 0.616 nan 8.190 nan 0.000 0.454 331 R N 0.089 120.557 120.500 -0.053 0.000 2.148 331 R HA 0.008 4.347 4.340 -0.001 0.000 0.227 331 R C 0.750 176.878 176.300 -0.287 0.000 1.103 331 R CA 0.846 56.819 56.100 -0.211 0.000 0.983 331 R CB 0.034 30.079 30.300 -0.424 0.000 0.874 331 R HN 0.658 nan 8.270 nan 0.000 0.451 332 H N -0.186 118.932 119.070 0.080 0.000 2.655 332 H HA 0.340 4.895 4.556 -0.002 0.000 0.309 332 H C -0.030 175.305 175.328 0.011 0.000 1.180 332 H CA 0.265 56.341 56.048 0.046 0.000 1.087 332 H CB -0.046 29.745 29.762 0.049 0.000 1.494 332 H HN 0.070 nan 8.280 nan 0.000 0.515 333 M N 0.773 120.372 119.600 -0.002 0.000 2.421 333 M HA 0.181 4.660 4.480 -0.001 0.000 0.287 333 M C -1.056 174.973 176.300 -0.452 0.000 1.183 333 M CA -0.733 54.459 55.300 -0.181 0.000 0.916 333 M CB 3.064 35.524 32.600 -0.234 0.000 1.701 333 M HN 0.002 nan 8.290 nan 0.000 0.470 334 D N 1.197 121.367 120.400 -0.384 0.000 2.340 334 D HA 0.512 5.151 4.640 -0.001 0.000 0.251 334 D C -1.332 174.525 176.300 -0.738 0.000 1.080 334 D CA 0.327 54.076 54.000 -0.418 0.000 0.971 334 D CB 1.057 41.809 40.800 -0.078 0.000 1.137 334 D HN 0.297 nan 8.370 nan 0.000 0.475 335 Y N -1.092 119.061 120.300 -0.245 0.000 2.536 335 Y HA 0.549 5.098 4.550 -0.002 0.000 0.347 335 Y C 0.775 176.450 175.900 -0.374 0.000 1.000 335 Y CA -1.106 56.847 58.100 -0.246 0.000 1.051 335 Y CB 2.361 40.793 38.460 -0.047 0.000 1.259 335 Y HN 0.337 nan 8.280 nan 0.000 0.468 336 G N 1.249 109.774 108.800 -0.458 0.000 2.675 336 G HA2 0.528 4.487 3.960 -0.001 0.000 0.297 336 G HA3 0.528 4.487 3.960 -0.001 0.000 0.297 336 G C -1.533 173.124 174.900 -0.405 0.000 1.399 336 G CA -0.596 44.242 45.100 -0.436 0.000 0.981 336 G HN 0.448 nan 8.290 nan 0.000 0.519 337 V N 2.519 122.275 119.914 -0.264 0.000 2.530 337 V HA 0.228 4.347 4.120 -0.001 0.000 0.282 337 V C 0.243 176.316 176.094 -0.035 0.000 1.048 337 V CA -0.280 61.833 62.300 -0.312 0.000 0.997 337 V CB 1.259 32.973 31.823 -0.181 0.000 0.987 337 V HN 0.728 nan 8.190 nan 0.000 0.477 338 Q N 4.681 124.498 119.800 0.028 0.000 2.340 338 Q HA 0.637 4.976 4.340 -0.001 0.000 0.259 338 Q C -0.903 175.215 176.000 0.197 0.000 0.964 338 Q CA -0.135 55.774 55.803 0.177 0.000 0.900 338 Q CB 1.696 30.634 28.738 0.333 0.000 1.228 338 Q HN 0.652 nan 8.270 nan 0.000 0.449 339 I N 1.779 122.402 120.570 0.090 0.000 2.797 339 I HA 0.502 4.672 4.170 -0.001 0.000 0.307 339 I C -0.241 175.830 176.117 -0.077 0.000 1.033 339 I CA -1.105 60.202 61.300 0.012 0.000 1.071 339 I CB 1.785 39.670 38.000 -0.193 0.000 1.255 339 I HN 0.612 nan 8.210 nan 0.000 0.445 340 N N 2.097 120.732 118.700 -0.109 0.000 2.697 340 N HA 0.308 5.047 4.740 -0.001 0.000 0.272 340 N C 0.000 175.468 175.510 -0.070 0.000 1.381 340 N CA -1.042 51.914 53.050 -0.156 0.000 0.797 340 N CB 1.292 39.530 38.487 -0.415 0.000 1.523 340 N HN 0.520 nan 8.380 nan 0.000 0.518 341 K N -0.659 119.722 120.400 -0.032 0.000 2.044 341 K HA -0.138 4.181 4.320 -0.001 0.000 0.210 341 K C 1.665 178.267 176.600 0.003 0.000 1.049 341 K CA 1.495 57.760 56.287 -0.036 0.000 0.927 341 K CB -0.312 32.248 32.500 0.099 0.000 0.713 341 K HN 0.463 nan 8.250 nan 0.000 0.443 342 L N 1.026 122.259 121.223 0.016 0.000 2.013 342 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 342 L C 2.226 179.116 176.870 0.034 0.000 1.073 342 L CA 1.752 56.618 54.840 0.043 0.000 0.753 342 L CB -0.326 41.783 42.059 0.083 0.000 0.890 342 L HN 0.275 nan 8.230 nan 0.000 0.432 343 M N -1.707 117.900 119.600 0.012 0.000 2.080 343 M HA -0.261 4.218 4.480 -0.001 0.000 0.260 343 M C 2.443 178.779 176.300 0.061 0.000 1.068 343 M CA 1.889 57.217 55.300 0.047 0.000 1.109 343 M CB -1.439 31.157 32.600 -0.007 0.000 1.342 343 M HN 0.261 nan 8.290 nan 0.000 0.405 344 Y N 0.942 121.246 120.300 0.007 0.000 2.165 344 Y HA -0.175 4.374 4.550 -0.002 0.000 0.286 344 Y C 2.787 178.592 175.900 -0.159 0.000 1.155 344 Y CA 1.838 59.833 58.100 -0.175 0.000 1.164 344 Y CB -1.547 36.688 38.460 -0.376 0.000 0.978 344 Y HN 0.300 nan 8.280 nan 0.000 0.513 345 T N 0.171 114.757 114.554 0.053 0.000 2.759 345 T HA -0.169 4.181 4.350 -0.001 0.000 0.269 345 T C 2.000 176.717 174.700 0.029 0.000 1.042 345 T CA 1.183 63.300 62.100 0.029 0.000 1.140 345 T CB -0.128 68.762 68.868 0.037 0.000 0.864 345 T HN 0.219 nan 8.240 nan 0.000 0.455 346 R N 0.673 121.206 120.500 0.055 0.000 2.091 346 R HA -0.005 4.334 4.340 -0.001 0.000 0.238 346 R C 2.417 178.742 176.300 0.042 0.000 1.136 346 R CA 0.875 57.019 56.100 0.073 0.000 0.959 346 R CB -1.178 29.197 30.300 0.125 0.000 0.856 346 R HN 0.354 nan 8.270 nan 0.000 0.437 347 L N 1.247 122.464 121.223 -0.011 0.000 1.989 347 L HA -0.139 4.200 4.340 -0.001 0.000 0.211 347 L C 2.210 179.029 176.870 -0.085 0.000 1.071 347 L CA 1.665 56.435 54.840 -0.117 0.000 0.749 347 L CB -0.652 41.108 42.059 -0.499 0.000 0.890 347 L HN 0.073 nan 8.230 nan 0.000 0.431 348 L N -0.541 120.637 121.223 -0.075 0.000 2.042 348 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 348 L C 2.425 179.285 176.870 -0.017 0.000 1.076 348 L CA 1.665 56.477 54.840 -0.046 0.000 0.749 348 L CB -0.702 41.336 42.059 -0.036 0.000 0.893 348 L HN 0.297 nan 8.230 nan 0.000 0.432 349 K N 0.029 120.428 120.400 -0.002 0.000 2.459 349 K HA 0.102 4.422 4.320 -0.001 0.000 0.193 349 K C 1.124 177.734 176.600 0.015 0.000 1.030 349 K CA 0.583 56.877 56.287 0.011 0.000 1.026 349 K CB 0.092 32.605 32.500 0.021 0.000 0.809 349 K HN 0.411 nan 8.250 nan 0.000 0.504 350 G N 2.421 111.229 108.800 0.014 0.000 2.198 350 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.257 350 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.257 350 G C -0.298 174.623 174.900 0.035 0.000 1.042 350 G CA 0.267 45.380 45.100 0.022 0.000 0.791 350 G HN 0.391 nan 8.290 nan 0.000 0.502 351 E N -0.352 119.876 120.200 0.046 0.000 2.700 351 E HA 0.517 4.866 4.350 -0.001 0.000 0.253 351 E C -0.261 176.382 176.600 0.071 0.000 1.175 351 E CA -0.708 55.725 56.400 0.055 0.000 1.010 351 E CB 0.626 30.363 29.700 0.063 0.000 1.284 351 E HN 0.370 nan 8.360 nan 0.000 0.557 352 D N -0.234 120.211 120.400 0.074 0.000 2.332 352 D HA 0.411 5.050 4.640 -0.001 0.000 0.252 352 D C -0.635 175.738 176.300 0.122 0.000 1.050 352 D CA -0.377 53.671 54.000 0.080 0.000 0.970 352 D CB 1.227 42.056 40.800 0.049 0.000 1.141 352 D HN 0.158 nan 8.370 nan 0.000 0.485 353 I N 0.592 121.238 120.570 0.127 0.000 2.433 353 I HA 0.232 4.401 4.170 -0.001 0.000 0.292 353 I C -0.398 175.799 176.117 0.133 0.000 1.001 353 I CA -0.559 60.855 61.300 0.190 0.000 1.119 353 I CB 1.933 40.048 38.000 0.192 0.000 1.289 353 I HN 0.219 nan 8.210 nan 0.000 0.438 354 T N 7.088 121.742 114.554 0.167 0.000 2.799 354 T HA 0.505 4.854 4.350 -0.001 0.000 0.286 354 T C -0.123 174.467 174.700 -0.184 0.000 0.973 354 T CA -0.425 61.584 62.100 -0.151 0.000 1.035 354 T CB 0.642 69.249 68.868 -0.434 0.000 0.932 354 T HN 0.257 nan 8.240 nan 0.000 0.469 355 L N 4.094 125.143 121.223 -0.290 0.000 2.275 355 L HA 0.616 4.955 4.340 -0.001 0.000 0.288 355 L C -0.803 175.859 176.870 -0.346 0.000 1.046 355 L CA -0.674 54.097 54.840 -0.114 0.000 0.805 355 L CB 0.535 42.581 42.059 -0.021 0.000 1.193 355 L HN 0.546 nan 8.230 nan 0.000 0.426 356 F N 0.191 120.267 119.950 0.211 0.000 2.593 356 F HA 0.409 4.935 4.527 -0.001 0.000 0.320 356 F C 0.436 176.284 175.800 0.079 0.000 1.060 356 F CA -0.767 57.287 58.000 0.091 0.000 0.940 356 F CB 2.140 41.135 39.000 -0.008 0.000 1.268 356 F HN 0.323 nan 8.300 nan 0.000 0.475 357 S N 2.427 118.214 115.700 0.145 0.000 2.513 357 S HA 0.339 4.809 4.470 -0.001 0.000 0.276 357 S C -1.845 172.794 174.600 0.065 0.000 1.254 357 S CA -1.474 56.677 58.200 -0.082 0.000 1.053 357 S CB 1.175 64.300 63.200 -0.126 0.000 0.958 357 S HN 0.329 nan 8.310 nan 0.000 0.491 358 P HA -0.158 nan 4.420 nan 0.000 0.217 358 P C 1.643 178.972 177.300 0.049 0.000 1.151 358 P CA 1.653 64.867 63.100 0.191 0.000 0.849 358 P CB -0.203 31.549 31.700 0.087 0.000 0.787 359 S N -1.227 114.459 115.700 -0.023 0.000 2.419 359 S HA -0.137 4.332 4.470 -0.001 0.000 0.233 359 S C 1.326 175.879 174.600 -0.078 0.000 1.016 359 S CA 1.278 59.450 58.200 -0.047 0.000 0.974 359 S CB -1.013 62.151 63.200 -0.060 0.000 0.786 359 S HN 0.101 nan 8.310 nan 0.000 0.492 360 D N 1.353 121.693 120.400 -0.100 0.000 2.339 360 D HA 0.153 4.792 4.640 -0.001 0.000 0.217 360 D C 0.265 176.356 176.300 -0.347 0.000 1.050 360 D CA 0.301 54.203 54.000 -0.164 0.000 0.856 360 D CB 0.777 41.510 40.800 -0.111 0.000 0.922 360 D HN 0.523 nan 8.370 nan 0.000 0.518 361 V N -0.848 118.833 119.914 -0.389 0.000 2.380 361 V HA 0.394 4.513 4.120 -0.001 0.000 0.268 361 V C -2.880 172.997 176.094 -0.362 0.000 1.008 361 V CA -2.309 59.522 62.300 -0.782 0.000 0.823 361 V CB 1.077 32.301 31.823 -0.998 0.000 1.053 361 V HN -0.270 nan 8.190 nan 0.000 0.446 362 P HA 0.238 nan 4.420 nan 0.000 0.261 362 P C 1.318 178.693 177.300 0.124 0.000 1.183 362 P CA 1.926 65.028 63.100 0.004 0.000 0.761 362 P CB 0.849 32.567 31.700 0.030 0.000 0.785 363 G N 2.653 111.532 108.800 0.131 0.000 2.304 363 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.252 363 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.252 363 G C 0.942 175.963 174.900 0.202 0.000 1.014 363 G CA 0.249 45.445 45.100 0.160 0.000 0.619 363 G HN 0.524 nan 8.290 nan 0.000 0.525 364 L N -0.579 120.753 121.223 0.180 0.000 1.970 364 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 364 L C 2.428 179.542 176.870 0.407 0.000 1.071 364 L CA 3.064 57.989 54.840 0.141 0.000 0.751 364 L CB -0.758 41.206 42.059 -0.157 0.000 0.889 364 L HN 0.478 nan 8.230 nan 0.000 0.432 365 Y N 1.363 121.908 120.300 0.408 0.000 2.053 365 Y HA -0.370 4.179 4.550 -0.002 0.000 0.277 365 Y C 2.235 178.499 175.900 0.606 0.000 1.159 365 Y CA 2.406 60.879 58.100 0.622 0.000 1.125 365 Y CB -0.456 38.328 38.460 0.540 0.000 0.969 365 Y HN 0.397 nan 8.280 nan 0.000 0.492 366 D N -0.045 120.687 120.400 0.553 0.000 2.104 366 D HA -0.240 4.399 4.640 -0.001 0.000 0.194 366 D C 2.297 178.813 176.300 0.359 0.000 0.994 366 D CA 1.722 55.980 54.000 0.430 0.000 0.830 366 D CB -0.548 40.438 40.800 0.310 0.000 0.959 366 D HN 0.475 nan 8.370 nan 0.000 0.452 367 A N 0.424 123.443 122.820 0.331 0.000 1.917 367 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 367 A C 1.991 179.755 177.584 0.300 0.000 1.182 367 A CA 1.164 53.384 52.037 0.306 0.000 0.633 367 A CB -1.108 18.084 19.000 0.320 0.000 0.819 367 A HN 0.272 nan 8.150 nan 0.000 0.448 368 F N -0.194 119.820 119.950 0.106 0.000 2.115 368 F HA -0.230 4.296 4.527 -0.002 0.000 0.300 368 F C 1.743 177.195 175.800 -0.580 0.000 1.092 368 F CA 1.803 59.534 58.000 -0.448 0.000 1.245 368 F CB -0.486 38.210 39.000 -0.507 0.000 0.995 368 F HN 0.263 nan 8.300 nan 0.000 0.481 369 F N -0.956 118.932 119.950 -0.103 0.000 2.317 369 F HA 0.236 4.762 4.527 -0.002 0.000 0.290 369 F C 2.370 178.113 175.800 -0.095 0.000 1.075 369 F CA 0.857 58.743 58.000 -0.190 0.000 1.380 369 F CB -1.180 37.734 39.000 -0.143 0.000 1.093 369 F HN -0.074 nan 8.300 nan 0.000 0.524 370 A N -1.950 120.968 122.820 0.162 0.000 2.220 370 A HA 0.129 4.448 4.320 -0.001 0.000 0.211 370 A C -0.092 177.538 177.584 0.076 0.000 1.176 370 A CA 0.565 52.667 52.037 0.108 0.000 0.834 370 A CB 0.057 19.127 19.000 0.115 0.000 0.868 370 A HN 0.194 nan 8.150 nan 0.000 0.488 371 D N -0.877 119.573 120.400 0.082 0.000 2.354 371 D HA 0.156 4.796 4.640 -0.001 0.000 0.230 371 D C 0.261 176.621 176.300 0.101 0.000 1.361 371 D CA -0.247 53.800 54.000 0.078 0.000 0.992 371 D CB 0.887 41.738 40.800 0.084 0.000 1.409 371 D HN -0.029 nan 8.370 nan 0.000 0.573 372 Q N 1.582 121.422 119.800 0.066 0.000 2.167 372 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 372 Q C 1.250 177.333 176.000 0.140 0.000 0.970 372 Q CA 0.996 56.853 55.803 0.090 0.000 0.855 372 Q CB 0.413 29.171 28.738 0.034 0.000 0.911 372 Q HN 0.641 nan 8.270 nan 0.000 0.438 373 E N 0.919 121.175 120.200 0.093 0.000 2.031 373 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 373 E C 1.920 178.566 176.600 0.077 0.000 0.994 373 E CA 1.144 57.588 56.400 0.073 0.000 0.800 373 E CB -0.067 29.660 29.700 0.044 0.000 0.752 373 E HN 0.338 nan 8.360 nan 0.000 0.447 374 E N 0.791 121.040 120.200 0.082 0.000 2.110 374 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 374 E C 1.842 178.490 176.600 0.080 0.000 0.988 374 E CA 0.817 57.254 56.400 0.062 0.000 0.804 374 E CB -0.424 29.318 29.700 0.069 0.000 0.745 374 E HN 0.214 nan 8.360 nan 0.000 0.458 375 F N 1.335 121.295 119.950 0.016 0.000 2.095 375 F HA -0.160 4.366 4.527 -0.002 0.000 0.298 375 F C 2.227 178.034 175.800 0.012 0.000 1.104 375 F CA 2.144 60.157 58.000 0.022 0.000 1.232 375 F CB -0.246 38.785 39.000 0.052 0.000 0.987 375 F HN 0.093 nan 8.300 nan 0.000 0.475 376 E N 0.057 120.344 120.200 0.145 0.000 2.077 376 E HA -0.280 4.069 4.350 -0.001 0.000 0.193 376 E C 2.493 179.060 176.600 -0.055 0.000 0.989 376 E CA 1.144 57.572 56.400 0.046 0.000 0.800 376 E CB -0.205 29.557 29.700 0.103 0.000 0.746 376 E HN 0.378 nan 8.360 nan 0.000 0.452 377 R N 0.352 120.814 120.500 -0.063 0.000 2.103 377 R HA -0.185 4.154 4.340 -0.001 0.000 0.234 377 R C 2.570 178.728 176.300 -0.237 0.000 1.132 377 R CA 1.651 57.681 56.100 -0.116 0.000 0.925 377 R CB -0.394 29.850 30.300 -0.093 0.000 0.842 377 R HN 0.180 nan 8.270 nan 0.000 0.430 378 L N -0.628 120.411 121.223 -0.307 0.000 2.012 378 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 378 L C 2.489 178.987 176.870 -0.620 0.000 1.073 378 L CA 1.619 56.128 54.840 -0.552 0.000 0.748 378 L CB -0.715 41.103 42.059 -0.402 0.000 0.891 378 L HN 0.312 nan 8.230 nan 0.000 0.431 379 Y N 1.180 121.087 120.300 -0.654 0.000 2.114 379 Y HA -0.353 4.196 4.550 -0.002 0.000 0.282 379 Y C 2.991 178.714 175.900 -0.295 0.000 1.165 379 Y CA 2.379 60.125 58.100 -0.590 0.000 1.148 379 Y CB -0.494 37.505 38.460 -0.767 0.000 0.972 379 Y HN 0.358 nan 8.280 nan 0.000 0.504 380 T N -1.918 112.564 114.554 -0.119 0.000 2.777 380 T HA -0.192 4.157 4.350 -0.001 0.000 0.266 380 T C 1.931 176.530 174.700 -0.168 0.000 1.040 380 T CA 1.433 63.477 62.100 -0.093 0.000 1.141 380 T CB -0.488 68.362 68.868 -0.031 0.000 0.868 380 T HN 0.328 nan 8.240 nan 0.000 0.444 381 K N 0.295 120.533 120.400 -0.270 0.000 1.987 381 K HA -0.216 4.103 4.320 -0.001 0.000 0.216 381 K C 2.101 178.561 176.600 -0.234 0.000 1.051 381 K CA 1.890 57.993 56.287 -0.307 0.000 0.942 381 K CB -0.539 31.659 32.500 -0.505 0.000 0.722 381 K HN 0.348 nan 8.250 nan 0.000 0.444 382 Y N 1.583 121.723 120.300 -0.267 0.000 2.384 382 Y HA -0.152 4.397 4.550 -0.001 0.000 0.289 382 Y C 2.074 177.926 175.900 -0.081 0.000 1.152 382 Y CA 1.202 59.125 58.100 -0.294 0.000 1.258 382 Y CB -0.456 37.579 38.460 -0.709 0.000 0.979 382 Y HN 0.335 nan 8.280 nan 0.000 0.549 383 E N -0.151 120.082 120.200 0.055 0.000 2.077 383 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 383 E C 1.889 178.507 176.600 0.029 0.000 0.989 383 E CA 1.267 57.704 56.400 0.061 0.000 0.800 383 E CB -0.034 29.626 29.700 -0.067 0.000 0.746 383 E HN 0.222 nan 8.360 nan 0.000 0.452 384 K N 0.873 121.274 120.400 0.002 0.000 2.243 384 K HA -0.012 4.307 4.320 -0.001 0.000 0.201 384 K C 0.373 176.982 176.600 0.014 0.000 1.051 384 K CA 0.243 56.529 56.287 -0.002 0.000 0.970 384 K CB 0.033 32.521 32.500 -0.020 0.000 0.755 384 K HN -0.013 nan 8.250 nan 0.000 0.465 385 D N 1.605 122.028 120.400 0.037 0.000 2.389 385 D HA -0.090 4.549 4.640 -0.001 0.000 0.263 385 D C -0.083 176.244 176.300 0.044 0.000 1.255 385 D CA 0.380 54.410 54.000 0.049 0.000 0.914 385 D CB 0.530 41.390 40.800 0.101 0.000 1.116 385 D HN 0.118 nan 8.370 nan 0.000 0.502 386 D N 1.961 122.374 120.400 0.022 0.000 2.312 386 D HA -0.096 4.543 4.640 -0.001 0.000 0.211 386 D C 1.556 177.863 176.300 0.011 0.000 0.964 386 D CA 0.547 54.555 54.000 0.014 0.000 0.877 386 D CB 0.362 41.165 40.800 0.005 0.000 0.924 386 D HN 0.393 nan 8.370 nan 0.000 0.515 387 S N 0.441 116.148 115.700 0.011 0.000 2.489 387 S HA -0.005 4.465 4.470 -0.001 0.000 0.228 387 S C 1.175 175.772 174.600 -0.005 0.000 0.995 387 S CA 0.113 58.313 58.200 0.001 0.000 0.934 387 S CB 0.362 63.560 63.200 -0.003 0.000 0.771 387 S HN 0.125 nan 8.310 nan 0.000 0.522 388 I N 2.611 123.185 120.570 0.006 0.000 2.441 388 I HA 0.298 4.467 4.170 -0.001 0.000 0.287 388 I C 0.654 176.793 176.117 0.035 0.000 1.049 388 I CA -0.414 60.889 61.300 0.006 0.000 1.381 388 I CB 0.275 38.283 38.000 0.013 0.000 1.409 388 I HN 0.129 nan 8.210 nan 0.000 0.523 389 R N 6.956 127.468 120.500 0.019 0.000 2.401 389 R HA 0.207 4.546 4.340 -0.001 0.000 0.299 389 R C -0.260 176.036 176.300 -0.006 0.000 1.064 389 R CA 0.120 56.222 56.100 0.004 0.000 1.000 389 R CB 0.496 30.792 30.300 -0.005 0.000 0.973 389 R HN 0.839 nan 8.270 nan 0.000 0.438 390 K N 2.223 122.572 120.400 -0.085 0.000 2.466 390 K HA 0.369 4.688 4.320 -0.001 0.000 0.277 390 K C -1.504 174.972 176.600 -0.206 0.000 1.039 390 K CA -1.106 55.030 56.287 -0.252 0.000 0.904 390 K CB 1.684 33.926 32.500 -0.430 0.000 1.506 390 K HN 0.469 nan 8.250 nan 0.000 0.441 391 Q N 0.525 120.165 119.800 -0.266 0.000 2.309 391 Q HA 0.339 4.678 4.340 -0.001 0.000 0.273 391 Q C -1.535 174.366 176.000 -0.165 0.000 1.040 391 Q CA -0.810 54.896 55.803 -0.162 0.000 0.834 391 Q CB 2.420 31.095 28.738 -0.106 0.000 1.345 391 Q HN 0.565 nan 8.270 nan 0.000 0.414 392 R N 1.413 121.850 120.500 -0.104 0.000 2.460 392 R HA 0.632 4.971 4.340 -0.001 0.000 0.303 392 R C -0.650 175.632 176.300 -0.030 0.000 0.968 392 R CA -0.579 55.479 56.100 -0.070 0.000 0.889 392 R CB 1.730 31.997 30.300 -0.055 0.000 1.123 392 R HN 0.478 nan 8.270 nan 0.000 0.455 393 V N -0.623 119.290 119.914 -0.002 0.000 3.007 393 V HA 0.483 4.603 4.120 -0.001 0.000 0.311 393 V C -0.581 175.538 176.094 0.043 0.000 1.120 393 V CA -1.391 60.919 62.300 0.016 0.000 0.980 393 V CB 2.076 33.910 31.823 0.018 0.000 1.033 393 V HN 0.460 nan 8.190 nan 0.000 0.429 394 K N 2.464 122.890 120.400 0.043 0.000 2.383 394 K HA 0.608 4.928 4.320 -0.001 0.000 0.286 394 K C 1.181 177.838 176.600 0.096 0.000 1.051 394 K CA 0.688 57.011 56.287 0.060 0.000 0.974 394 K CB 0.850 33.379 32.500 0.047 0.000 0.968 394 K HN 0.988 nan 8.250 nan 0.000 0.475 395 A N 3.949 126.845 122.820 0.128 0.000 1.927 395 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 395 A C 1.861 179.610 177.584 0.273 0.000 1.185 395 A CA 2.203 54.373 52.037 0.222 0.000 0.639 395 A CB -0.643 18.481 19.000 0.207 0.000 0.820 395 A HN 0.559 nan 8.150 nan 0.000 0.451 396 V N 0.170 120.178 119.914 0.155 0.000 2.343 396 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 396 V C 2.414 178.592 176.094 0.140 0.000 1.051 396 V CA 2.232 64.611 62.300 0.132 0.000 1.036 396 V CB -0.908 30.955 31.823 0.068 0.000 0.654 396 V HN 0.633 nan 8.190 nan 0.000 0.451 397 E N -0.125 120.137 120.200 0.103 0.000 2.031 397 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 397 E C 2.204 178.847 176.600 0.072 0.000 0.994 397 E CA 1.320 57.763 56.400 0.071 0.000 0.800 397 E CB -0.290 29.437 29.700 0.046 0.000 0.752 397 E HN 0.383 nan 8.360 nan 0.000 0.447 398 L N 0.392 121.661 121.223 0.076 0.000 2.017 398 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 398 L C 2.135 178.989 176.870 -0.028 0.000 1.073 398 L CA 1.581 56.425 54.840 0.007 0.000 0.745 398 L CB -0.583 41.463 42.059 -0.023 0.000 0.894 398 L HN 0.011 nan 8.230 nan 0.000 0.432 399 F N -0.681 119.279 119.950 0.017 0.000 2.134 399 F HA -0.217 4.309 4.527 -0.002 0.000 0.299 399 F C 2.574 178.386 175.800 0.019 0.000 1.097 399 F CA 1.742 59.753 58.000 0.018 0.000 1.264 399 F CB -0.589 38.425 39.000 0.023 0.000 1.001 399 F HN 0.066 nan 8.300 nan 0.000 0.479 400 S N 0.150 115.960 115.700 0.184 0.000 2.387 400 S HA -0.152 4.318 4.470 -0.001 0.000 0.226 400 S C 1.910 176.539 174.600 0.049 0.000 1.026 400 S CA 0.951 59.210 58.200 0.098 0.000 0.972 400 S CB -0.662 62.578 63.200 0.068 0.000 0.814 400 S HN 0.280 nan 8.310 nan 0.000 0.477 401 L N 2.074 123.316 121.223 0.033 0.000 2.012 401 L HA -0.040 4.300 4.340 -0.001 0.000 0.210 401 L C 2.294 179.162 176.870 -0.002 0.000 1.073 401 L CA 1.904 56.747 54.840 0.005 0.000 0.748 401 L CB -0.663 41.392 42.059 -0.007 0.000 0.891 401 L HN 0.363 nan 8.230 nan 0.000 0.431 402 M N -1.575 118.018 119.600 -0.012 0.000 2.086 402 M HA -0.247 4.232 4.480 -0.001 0.000 0.261 402 M C 2.057 178.368 176.300 0.017 0.000 1.067 402 M CA 2.016 57.306 55.300 -0.017 0.000 1.116 402 M CB -0.061 32.492 32.600 -0.078 0.000 1.348 402 M HN 0.311 nan 8.290 nan 0.000 0.407 403 M N 0.028 119.658 119.600 0.049 0.000 2.175 403 M HA -0.196 4.284 4.480 -0.001 0.000 0.264 403 M C 2.144 178.452 176.300 0.014 0.000 1.063 403 M CA 1.654 56.987 55.300 0.055 0.000 1.119 403 M CB -1.652 30.997 32.600 0.082 0.000 1.377 403 M HN 0.528 nan 8.290 nan 0.000 0.415 404 Q N 0.507 120.309 119.800 0.004 0.000 2.061 404 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 404 Q C 1.733 177.725 176.000 -0.013 0.000 0.984 404 Q CA 1.512 57.306 55.803 -0.015 0.000 0.846 404 Q CB 0.105 28.835 28.738 -0.012 0.000 0.902 404 Q HN 0.352 nan 8.270 nan 0.000 0.421 405 E N 0.393 120.588 120.200 -0.008 0.000 2.110 405 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 405 E C 1.927 178.523 176.600 -0.006 0.000 0.988 405 E CA 0.970 57.364 56.400 -0.010 0.000 0.804 405 E CB -0.254 29.439 29.700 -0.013 0.000 0.745 405 E HN 0.373 nan 8.360 nan 0.000 0.458 406 R N 0.456 120.960 120.500 0.006 0.000 2.073 406 R HA -0.031 4.308 4.340 -0.001 0.000 0.229 406 R C 2.162 178.479 176.300 0.029 0.000 1.120 406 R CA 1.209 57.322 56.100 0.021 0.000 0.967 406 R CB -0.094 30.241 30.300 0.059 0.000 0.862 406 R HN 0.109 nan 8.270 nan 0.000 0.436 407 A N 0.686 123.512 122.820 0.011 0.000 1.858 407 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 407 A C 2.210 179.794 177.584 -0.001 0.000 1.190 407 A CA 2.006 54.041 52.037 -0.003 0.000 0.617 407 A CB -0.830 18.136 19.000 -0.057 0.000 0.827 407 A HN 0.597 nan 8.150 nan 0.000 0.443 408 S N -0.568 115.125 115.700 -0.012 0.000 2.402 408 S HA -0.149 4.320 4.470 -0.001 0.000 0.229 408 S C 1.920 176.514 174.600 -0.010 0.000 1.021 408 S CA 2.102 60.294 58.200 -0.013 0.000 0.974 408 S CB -0.975 62.215 63.200 -0.018 0.000 0.800 408 S HN 0.821 nan 8.310 nan 0.000 0.484 409 T N -3.404 111.143 114.554 -0.011 0.000 3.039 409 T HA 0.489 4.838 4.350 -0.001 0.000 0.250 409 T C 1.825 176.513 174.700 -0.020 0.000 1.052 409 T CA 1.081 63.170 62.100 -0.018 0.000 1.125 409 T CB -0.423 68.431 68.868 -0.023 0.000 0.908 409 T HN 1.287 nan 8.240 nan 0.000 0.473 410 G N 2.183 110.981 108.800 -0.003 0.000 2.217 410 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.246 410 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.246 410 G C 0.819 175.740 174.900 0.035 0.000 0.990 410 G CA 0.139 45.256 45.100 0.027 0.000 0.627 410 G HN 0.600 nan 8.290 nan 0.000 0.522 411 R N -0.004 120.444 120.500 -0.086 0.000 2.652 411 R HA 0.400 4.739 4.340 -0.001 0.000 0.372 411 R C -0.022 175.869 176.300 -0.681 0.000 1.104 411 R CA -0.263 55.631 56.100 -0.344 0.000 1.072 411 R CB 0.493 30.672 30.300 -0.203 0.000 1.367 411 R HN 0.344 nan 8.270 nan 0.000 0.577 412 I N 2.390 122.734 120.570 -0.377 0.000 2.337 412 I HA 0.257 4.426 4.170 -0.001 0.000 0.285 412 I C -0.261 175.768 176.117 -0.147 0.000 1.041 412 I CA -1.511 59.627 61.300 -0.268 0.000 1.199 412 I CB -0.121 37.841 38.000 -0.065 0.000 1.370 412 I HN -0.044 nan 8.210 nan 0.000 0.470 413 Y N 6.051 126.379 120.300 0.046 0.000 2.326 413 Y HA 0.527 5.077 4.550 -0.001 0.000 0.324 413 Y C 0.450 176.385 175.900 0.059 0.000 1.291 413 Y CA -1.105 57.038 58.100 0.072 0.000 1.348 413 Y CB 0.763 39.270 38.460 0.078 0.000 1.294 413 Y HN 0.302 nan 8.280 nan 0.000 0.525 414 I N 0.960 121.715 120.570 0.308 0.000 2.603 414 I HA 0.365 4.534 4.170 -0.001 0.000 0.300 414 I C -0.651 175.625 176.117 0.264 0.000 1.017 414 I CA -0.682 60.760 61.300 0.237 0.000 1.098 414 I CB 1.940 40.096 38.000 0.260 0.000 1.279 414 I HN 0.538 nan 8.210 nan 0.000 0.437 415 Q N 4.984 124.929 119.800 0.241 0.000 2.275 415 Q HA 0.393 4.732 4.340 -0.001 0.000 0.266 415 Q C -1.587 174.517 176.000 0.174 0.000 1.002 415 Q CA -0.722 55.224 55.803 0.238 0.000 0.761 415 Q CB 1.213 30.131 28.738 0.300 0.000 1.255 415 Q HN 0.541 nan 8.270 nan 0.000 0.446 416 N N 4.248 123.055 118.700 0.178 0.000 2.448 416 N HA 0.041 4.780 4.740 -0.001 0.000 0.250 416 N C 1.160 176.677 175.510 0.013 0.000 1.136 416 N CA 0.148 53.279 53.050 0.135 0.000 0.953 416 N CB 1.577 40.179 38.487 0.192 0.000 1.251 416 N HN 0.583 nan 8.380 nan 0.000 0.502 417 V N 0.202 120.028 119.914 -0.146 0.000 2.427 417 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 417 V C 1.696 177.679 176.094 -0.184 0.000 1.051 417 V CA 1.557 63.722 62.300 -0.224 0.000 1.048 417 V CB -0.453 30.970 31.823 -0.668 0.000 0.666 417 V HN 0.416 nan 8.190 nan 0.000 0.456 418 D N 0.246 120.509 120.400 -0.229 0.000 2.092 418 D HA -0.274 4.365 4.640 -0.001 0.000 0.193 418 D C 1.958 178.294 176.300 0.060 0.000 0.994 418 D CA 2.270 56.207 54.000 -0.105 0.000 0.828 418 D CB -0.999 39.758 40.800 -0.072 0.000 0.963 418 D HN 0.519 nan 8.370 nan 0.000 0.450 419 H N -0.033 119.036 119.070 -0.002 0.000 2.390 419 H HA -0.029 4.526 4.556 -0.001 0.000 0.298 419 H C 2.345 177.683 175.328 0.017 0.000 1.106 419 H CA 0.769 56.803 56.048 -0.023 0.000 1.297 419 H CB -0.996 28.727 29.762 -0.065 0.000 1.375 419 H HN 0.303 nan 8.280 nan 0.000 0.509 420 C N 0.624 120.006 119.300 0.138 0.000 2.437 420 C HA -0.030 4.430 4.460 -0.001 0.000 0.283 420 C C 2.141 177.170 174.990 0.064 0.000 1.424 420 C CA 0.643 59.711 59.018 0.083 0.000 1.782 420 C CB -0.538 27.236 27.740 0.057 0.000 1.833 420 C HN 0.600 nan 8.230 nan 0.000 0.532 421 N N -0.502 118.235 118.700 0.062 0.000 2.332 421 N HA -0.036 4.703 4.740 -0.001 0.000 0.190 421 N C 1.747 177.283 175.510 0.043 0.000 1.117 421 N CA 1.232 54.313 53.050 0.053 0.000 0.883 421 N CB -0.097 38.422 38.487 0.054 0.000 1.089 421 N HN 0.645 nan 8.380 nan 0.000 0.480 422 T N -2.123 112.467 114.554 0.059 0.000 3.043 422 T HA -0.047 4.302 4.350 -0.001 0.000 0.263 422 T C 0.625 175.363 174.700 0.064 0.000 1.094 422 T CA 0.895 63.023 62.100 0.047 0.000 1.127 422 T CB -0.173 68.724 68.868 0.049 0.000 0.905 422 T HN 0.113 nan 8.240 nan 0.000 0.490 423 H N 1.186 120.227 119.070 -0.049 0.000 2.423 423 H HA 0.629 5.184 4.556 -0.002 0.000 0.237 423 H C -0.606 174.682 175.328 -0.067 0.000 1.391 423 H CA -0.529 55.469 56.048 -0.084 0.000 1.453 423 H CB 0.312 30.006 29.762 -0.112 0.000 1.484 423 H HN 0.355 nan 8.280 nan 0.000 0.505 424 S N 2.622 118.174 115.700 -0.247 0.000 2.625 424 S HA 0.400 4.869 4.470 -0.001 0.000 0.271 424 S C -2.570 171.833 174.600 -0.328 0.000 1.161 424 S CA -1.262 56.785 58.200 -0.255 0.000 0.820 424 S CB 1.684 64.859 63.200 -0.042 0.000 1.137 424 S HN 0.197 nan 8.310 nan 0.000 0.470 425 P HA 0.284 nan 4.420 nan 0.000 0.241 425 P C -0.530 176.331 177.300 -0.732 0.000 1.191 425 P CA 0.421 63.120 63.100 -0.667 0.000 0.771 425 P CB -0.314 31.017 31.700 -0.614 0.000 0.929 426 F N 0.103 119.985 119.950 -0.114 0.000 2.507 426 F HA 0.374 4.900 4.527 -0.001 0.000 0.327 426 F C 0.668 176.417 175.800 -0.086 0.000 1.068 426 F CA -1.371 56.581 58.000 -0.080 0.000 0.965 426 F CB 0.749 39.720 39.000 -0.048 0.000 1.192 426 F HN -0.350 nan 8.300 nan 0.000 0.476 427 D N 3.379 123.854 120.400 0.125 0.000 2.336 427 D HA 0.265 4.905 4.640 -0.001 0.000 0.249 427 D C -1.862 174.473 176.300 0.059 0.000 1.213 427 D CA -2.183 51.846 54.000 0.047 0.000 0.870 427 D CB 1.317 42.124 40.800 0.012 0.000 1.076 427 D HN 0.065 nan 8.370 nan 0.000 0.483 428 P HA -0.138 nan 4.420 nan 0.000 0.219 428 P C 0.907 178.228 177.300 0.034 0.000 1.146 428 P CA 1.052 64.178 63.100 0.044 0.000 0.808 428 P CB 0.148 31.878 31.700 0.049 0.000 0.779 429 A N -0.886 121.950 122.820 0.026 0.000 1.930 429 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 429 A C 2.109 179.695 177.584 0.003 0.000 1.175 429 A CA 1.497 53.546 52.037 0.020 0.000 0.627 429 A CB -1.298 17.710 19.000 0.013 0.000 0.815 429 A HN 0.180 nan 8.150 nan 0.000 0.443 430 I N -2.169 118.397 120.570 -0.006 0.000 2.810 430 I HA 0.214 4.383 4.170 -0.001 0.000 0.262 430 I C 1.122 177.205 176.117 -0.056 0.000 1.131 430 I CA 0.876 62.156 61.300 -0.034 0.000 1.453 430 I CB 0.243 38.222 38.000 -0.035 0.000 1.161 430 I HN 0.226 nan 8.210 nan 0.000 0.444 431 A N 2.346 125.143 122.820 -0.039 0.000 3.156 431 A HA 0.476 4.795 4.320 -0.001 0.000 0.311 431 A C -2.679 174.831 177.584 -0.124 0.000 1.129 431 A CA -1.055 50.917 52.037 -0.109 0.000 0.809 431 A CB -0.282 18.637 19.000 -0.136 0.000 1.257 431 A HN -0.096 nan 8.150 nan 0.000 0.491 432 P HA 0.228 nan 4.420 nan 0.000 0.272 432 P C -0.202 176.989 177.300 -0.183 0.000 1.230 432 P CA 0.061 63.114 63.100 -0.078 0.000 0.788 432 P CB 1.262 32.940 31.700 -0.037 0.000 0.949 433 V N 3.989 123.821 119.914 -0.137 0.000 2.347 433 V HA 0.261 4.380 4.120 -0.001 0.000 0.280 433 V C 1.465 177.386 176.094 -0.288 0.000 1.021 433 V CA -0.109 62.074 62.300 -0.196 0.000 0.847 433 V CB 0.639 32.410 31.823 -0.087 0.000 0.990 433 V HN 0.517 nan 8.190 nan 0.000 0.444 434 R N 3.918 124.114 120.500 -0.506 0.000 2.508 434 R HA 0.273 4.612 4.340 -0.001 0.000 0.300 434 R C 0.245 176.248 176.300 -0.494 0.000 0.970 434 R CA -0.016 55.500 56.100 -0.972 0.000 1.102 434 R CB 0.718 30.281 30.300 -1.228 0.000 1.246 434 R HN 0.902 nan 8.270 nan 0.000 0.539 435 Q N -2.414 117.128 119.800 -0.431 0.000 2.907 435 Q HA 0.369 4.709 4.340 -0.001 0.000 0.310 435 Q C -1.376 174.130 176.000 -0.822 0.000 0.861 435 Q CA -0.807 54.548 55.803 -0.747 0.000 0.769 435 Q CB 1.258 29.604 28.738 -0.652 0.000 1.465 435 Q HN -0.077 nan 8.270 nan 0.000 0.449 436 S N -0.532 114.314 115.700 -1.425 0.000 2.998 436 S HA 0.600 5.069 4.470 -0.001 0.000 0.307 436 S C -1.064 173.385 174.600 -0.252 0.000 1.063 436 S CA -0.056 57.806 58.200 -0.563 0.000 0.895 436 S CB 1.049 64.134 63.200 -0.191 0.000 1.362 436 S HN 0.828 nan 8.310 nan 0.000 0.657 437 N N 0.395 119.099 118.700 0.007 0.000 2.938 437 N HA 0.228 4.967 4.740 -0.001 0.000 0.335 437 N C 0.960 176.563 175.510 0.155 0.000 1.358 437 N CA -0.563 52.526 53.050 0.064 0.000 0.812 437 N CB -0.686 37.782 38.487 -0.031 0.000 1.233 437 N HN 0.474 nan 8.380 nan 0.000 0.593 438 L N 0.314 121.578 121.223 0.068 0.000 1.989 438 L HA -0.006 4.333 4.340 -0.001 0.000 0.211 438 L C 1.543 178.421 176.870 0.014 0.000 1.071 438 L CA 1.824 56.711 54.840 0.079 0.000 0.749 438 L CB -0.692 41.400 42.059 0.054 0.000 0.890 438 L HN 0.710 nan 8.230 nan 0.000 0.431 439 C N 0.323 119.499 119.300 -0.208 0.000 2.693 439 C HA 0.363 4.822 4.460 -0.001 0.000 0.286 439 C C 1.021 175.449 174.990 -0.936 0.000 1.277 439 C CA -0.908 57.628 59.018 -0.803 0.000 1.705 439 C CB -1.121 26.197 27.740 -0.703 0.000 1.879 439 C HN 0.565 nan 8.230 nan 0.000 0.607 440 L N 2.126 123.125 121.223 -0.372 0.000 3.865 440 L HA -0.180 4.159 4.340 -0.001 0.000 0.408 440 L C 1.669 178.422 176.870 -0.194 0.000 1.209 440 L CA 1.652 56.375 54.840 -0.195 0.000 0.940 440 L CB -1.663 40.262 42.059 -0.223 0.000 1.971 440 L HN 0.684 nan 8.230 nan 0.000 0.899 441 E N -1.127 118.953 120.200 -0.199 0.000 2.485 441 E HA 0.100 4.449 4.350 -0.001 0.000 0.213 441 E C 0.830 177.379 176.600 -0.085 0.000 0.923 441 E CA -0.110 56.205 56.400 -0.140 0.000 1.054 441 E CB 0.618 30.217 29.700 -0.169 0.000 1.077 441 E HN 0.423 nan 8.360 nan 0.000 0.509 442 I N 2.170 122.690 120.570 -0.084 0.000 2.440 442 I HA 0.466 4.636 4.170 -0.001 0.000 0.294 442 I C -0.045 176.031 176.117 -0.068 0.000 0.995 442 I CA -0.583 60.682 61.300 -0.059 0.000 1.306 442 I CB 1.225 39.188 38.000 -0.061 0.000 1.407 442 I HN 0.133 nan 8.210 nan 0.000 0.501 443 A N 7.956 130.755 122.820 -0.035 0.000 2.684 443 A HA 0.698 5.017 4.320 -0.001 0.000 0.289 443 A C -0.973 176.608 177.584 -0.004 0.000 1.139 443 A CA -0.418 51.588 52.037 -0.052 0.000 0.793 443 A CB 0.579 19.562 19.000 -0.028 0.000 1.334 443 A HN 0.599 nan 8.150 nan 0.000 0.408 444 L N 2.351 123.518 121.223 -0.094 0.000 2.354 444 L HA 0.651 4.990 4.340 -0.001 0.000 0.264 444 L C -2.423 174.264 176.870 -0.304 0.000 1.008 444 L CA -2.552 52.189 54.840 -0.166 0.000 0.819 444 L CB 2.859 44.868 42.059 -0.083 0.000 1.339 444 L HN 0.375 nan 8.230 nan 0.000 0.420 445 P HA 0.264 nan 4.420 nan 0.000 0.275 445 P C -0.974 176.185 177.300 -0.236 0.000 1.228 445 P CA -0.201 62.654 63.100 -0.408 0.000 0.786 445 P CB 1.062 32.427 31.700 -0.559 0.000 0.927 446 T N -1.196 113.245 114.554 -0.187 0.000 2.894 446 T HA 0.654 5.003 4.350 -0.001 0.000 0.309 446 T C -0.938 173.710 174.700 -0.086 0.000 1.208 446 T CA -0.964 61.066 62.100 -0.115 0.000 1.016 446 T CB 1.852 70.649 68.868 -0.118 0.000 1.192 446 T HN 0.242 nan 8.240 nan 0.000 0.491 447 K N 1.689 122.063 120.400 -0.043 0.000 2.443 447 K HA 0.592 4.911 4.320 -0.001 0.000 0.252 447 K C -2.953 173.643 176.600 -0.007 0.000 0.933 447 K CA -2.347 53.924 56.287 -0.026 0.000 0.792 447 K CB 2.296 34.783 32.500 -0.022 0.000 1.185 447 K HN 0.372 nan 8.250 nan 0.000 0.425 448 P HA 0.063 nan 4.420 nan 0.000 0.269 448 P C -0.950 176.360 177.300 0.016 0.000 1.209 448 P CA -0.407 62.698 63.100 0.008 0.000 0.776 448 P CB 0.493 32.201 31.700 0.013 0.000 0.876 449 L N 2.873 124.109 121.223 0.023 0.000 2.375 449 L HA 0.386 4.725 4.340 -0.001 0.000 0.268 449 L C 1.487 178.375 176.870 0.030 0.000 1.058 449 L CA 0.319 55.177 54.840 0.030 0.000 0.803 449 L CB 0.317 42.399 42.059 0.039 0.000 1.212 449 L HN 0.250 nan 8.230 nan 0.000 0.451 450 N N -0.065 118.652 118.700 0.029 0.000 2.197 450 N HA 0.114 4.853 4.740 -0.001 0.000 0.201 450 N C -0.790 174.740 175.510 0.032 0.000 1.148 450 N CA 0.244 53.311 53.050 0.028 0.000 0.883 450 N CB 0.740 39.240 38.487 0.022 0.000 1.012 450 N HN 0.651 nan 8.380 nan 0.000 0.507 451 D N -0.901 119.521 120.400 0.036 0.000 2.663 451 D HA 0.024 4.663 4.640 -0.001 0.000 0.233 451 D C 1.072 177.396 176.300 0.041 0.000 1.240 451 D CA -0.330 53.693 54.000 0.038 0.000 0.774 451 D CB 1.712 42.531 40.800 0.031 0.000 1.443 451 D HN -0.235 nan 8.370 nan 0.000 0.441 452 V N 1.901 121.840 119.914 0.042 0.000 2.282 452 V HA -0.199 3.920 4.120 -0.001 0.000 0.249 452 V C 1.601 177.716 176.094 0.035 0.000 1.057 452 V CA 1.487 63.812 62.300 0.040 0.000 1.032 452 V CB -0.626 31.217 31.823 0.032 0.000 0.645 452 V HN 0.532 nan 8.190 nan 0.000 0.447 453 N N 0.107 118.825 118.700 0.029 0.000 2.314 453 N HA 0.054 4.794 4.740 -0.001 0.000 0.200 453 N C 0.344 175.871 175.510 0.030 0.000 1.135 453 N CA 0.085 53.151 53.050 0.026 0.000 0.835 453 N CB -0.421 38.078 38.487 0.020 0.000 0.989 453 N HN 0.571 nan 8.380 nan 0.000 0.478 454 D N 1.647 122.067 120.400 0.033 0.000 2.520 454 D HA -0.079 4.560 4.640 -0.001 0.000 0.243 454 D C 0.817 177.139 176.300 0.038 0.000 1.160 454 D CA 0.557 54.577 54.000 0.033 0.000 0.877 454 D CB 0.731 41.551 40.800 0.033 0.000 1.150 454 D HN 0.164 nan 8.370 nan 0.000 0.494 455 E N 2.791 123.013 120.200 0.037 0.000 2.489 455 E HA -0.037 4.312 4.350 -0.001 0.000 0.193 455 E C 0.431 177.065 176.600 0.057 0.000 1.057 455 E CA 0.130 56.558 56.400 0.046 0.000 0.866 455 E CB 0.079 29.803 29.700 0.040 0.000 0.916 455 E HN 0.486 nan 8.360 nan 0.000 0.500 456 N N 0.334 119.060 118.700 0.044 0.000 2.280 456 N HA 0.040 4.779 4.740 -0.001 0.000 0.192 456 N C 0.404 175.935 175.510 0.034 0.000 1.109 456 N CA 0.044 53.116 53.050 0.035 0.000 0.855 456 N CB 0.934 39.431 38.487 0.016 0.000 0.974 456 N HN 0.024 nan 8.380 nan 0.000 0.482 457 G N -0.163 108.665 108.800 0.046 0.000 2.522 457 G HA2 0.426 4.385 3.960 -0.001 0.000 0.304 457 G HA3 0.426 4.385 3.960 -0.001 0.000 0.304 457 G C -0.903 174.038 174.900 0.069 0.000 1.210 457 G CA -0.285 44.841 45.100 0.043 0.000 0.960 457 G HN 0.120 nan 8.290 nan 0.000 0.497 458 E N -0.495 119.738 120.200 0.056 0.000 2.287 458 E HA 0.383 4.732 4.350 -0.001 0.000 0.274 458 E C -1.277 175.346 176.600 0.038 0.000 0.896 458 E CA -0.506 55.941 56.400 0.079 0.000 0.788 458 E CB 1.704 31.467 29.700 0.104 0.000 1.244 458 E HN 0.316 nan 8.360 nan 0.000 0.408 459 I N 3.385 123.983 120.570 0.046 0.000 2.355 459 I HA 0.419 4.588 4.170 -0.001 0.000 0.288 459 I C 0.169 176.285 176.117 -0.002 0.000 0.999 459 I CA -0.616 60.696 61.300 0.020 0.000 1.163 459 I CB 1.624 39.661 38.000 0.061 0.000 1.316 459 I HN 0.561 nan 8.210 nan 0.000 0.454 460 A N 7.993 130.789 122.820 -0.041 0.000 2.440 460 A HA 0.708 5.027 4.320 -0.001 0.000 0.251 460 A C -0.538 177.011 177.584 -0.058 0.000 1.089 460 A CA 0.039 52.047 52.037 -0.048 0.000 0.779 460 A CB 0.335 19.288 19.000 -0.078 0.000 1.022 460 A HN 0.704 nan 8.150 nan 0.000 0.492 461 L N 1.057 122.266 121.223 -0.025 0.000 2.371 461 L HA 0.636 4.975 4.340 -0.001 0.000 0.262 461 L C -0.681 176.190 176.870 0.001 0.000 1.006 461 L CA -0.642 54.185 54.840 -0.023 0.000 0.818 461 L CB 2.305 44.393 42.059 0.049 0.000 1.354 461 L HN 0.758 nan 8.230 nan 0.000 0.415 462 C N 0.670 119.966 119.300 -0.006 0.000 2.551 462 C HA 0.634 5.093 4.460 -0.001 0.000 0.332 462 C C -0.114 174.882 174.990 0.010 0.000 1.139 462 C CA -0.211 58.811 59.018 0.007 0.000 1.328 462 C CB 1.585 29.323 27.740 -0.004 0.000 1.903 462 C HN 0.843 nan 8.230 nan 0.000 0.459 463 T N 6.899 121.463 114.554 0.017 0.000 2.771 463 T HA 0.570 4.920 4.350 -0.001 0.000 0.291 463 T C -0.197 174.499 174.700 -0.007 0.000 0.954 463 T CA -0.102 62.005 62.100 0.011 0.000 1.045 463 T CB 0.520 69.395 68.868 0.011 0.000 0.917 463 T HN 0.571 nan 8.240 nan 0.000 0.484 464 L N 1.666 122.884 121.223 -0.009 0.000 2.286 464 L HA 0.920 5.259 4.340 -0.001 0.000 0.265 464 L C 0.336 177.189 176.870 -0.029 0.000 1.012 464 L CA -0.928 53.898 54.840 -0.023 0.000 0.818 464 L CB 1.849 43.898 42.059 -0.016 0.000 1.337 464 L HN 0.603 nan 8.230 nan 0.000 0.438 465 S N -1.069 114.598 115.700 -0.055 0.000 2.673 465 S HA 0.799 5.268 4.470 -0.001 0.000 0.263 465 S C -1.879 172.637 174.600 -0.140 0.000 1.090 465 S CA -0.108 58.050 58.200 -0.069 0.000 0.831 465 S CB 1.700 64.855 63.200 -0.075 0.000 1.108 465 S HN 0.981 nan 8.310 nan 0.000 0.477 466 A N 0.559 123.280 122.820 -0.165 0.000 2.612 466 A HA 0.787 5.107 4.320 -0.001 0.000 0.293 466 A C -2.191 175.285 177.584 -0.180 0.000 1.075 466 A CA -0.568 51.343 52.037 -0.210 0.000 0.680 466 A CB 0.638 19.612 19.000 -0.044 0.000 1.279 466 A HN 0.468 nan 8.150 nan 0.000 0.411 467 F N 1.603 121.558 119.950 0.009 0.000 2.404 467 F HA 0.407 4.933 4.527 -0.001 0.000 0.345 467 F C 0.831 176.634 175.800 0.005 0.000 1.110 467 F CA -0.945 57.046 58.000 -0.015 0.000 1.130 467 F CB 1.272 40.235 39.000 -0.061 0.000 1.129 467 F HN 0.571 nan 8.300 nan 0.000 0.500 468 N N 4.139 122.974 118.700 0.224 0.000 2.415 468 N HA 0.111 4.850 4.740 -0.001 0.000 0.250 468 N C 0.703 176.298 175.510 0.143 0.000 1.127 468 N CA 0.141 53.297 53.050 0.176 0.000 0.945 468 N CB 0.390 38.983 38.487 0.177 0.000 1.196 468 N HN 0.697 nan 8.380 nan 0.000 0.499 469 L N 1.956 123.244 121.223 0.108 0.000 2.450 469 L HA 0.012 4.351 4.340 -0.001 0.000 0.224 469 L C 1.923 178.917 176.870 0.206 0.000 1.149 469 L CA 0.896 55.745 54.840 0.016 0.000 0.816 469 L CB -0.095 41.786 42.059 -0.296 0.000 0.932 469 L HN 0.561 nan 8.230 nan 0.000 0.449 470 G N -0.944 108.039 108.800 0.306 0.000 2.985 470 G HA2 0.173 4.132 3.960 -0.001 0.000 0.209 470 G HA3 0.173 4.132 3.960 -0.001 0.000 0.209 470 G C 1.212 176.297 174.900 0.308 0.000 1.165 470 G CA 0.562 45.917 45.100 0.425 0.000 0.776 470 G HN 0.391 nan 8.290 nan 0.000 0.541 471 A N 0.285 123.226 122.820 0.200 0.000 2.470 471 A HA 0.580 4.899 4.320 -0.001 0.000 0.251 471 A C 0.690 178.312 177.584 0.063 0.000 1.245 471 A CA -0.322 51.795 52.037 0.134 0.000 0.932 471 A CB -0.188 18.892 19.000 0.133 0.000 1.037 471 A HN 0.490 nan 8.150 nan 0.000 0.522 472 I N -4.228 116.380 120.570 0.063 0.000 2.493 472 I HA 0.455 4.624 4.170 -0.001 0.000 0.298 472 I C 0.349 176.486 176.117 0.034 0.000 0.998 472 I CA -0.921 60.386 61.300 0.013 0.000 1.137 472 I CB 1.319 39.302 38.000 -0.029 0.000 1.310 472 I HN -0.085 nan 8.210 nan 0.000 0.445 473 N N 3.566 122.266 118.700 0.001 0.000 2.197 473 N HA -0.038 4.701 4.740 -0.001 0.000 0.184 473 N C -0.120 175.405 175.510 0.024 0.000 1.030 473 N CA 1.054 54.105 53.050 0.002 0.000 0.851 473 N CB -0.018 38.456 38.487 -0.022 0.000 1.003 473 N HN 0.846 nan 8.380 nan 0.000 0.430 474 N N -0.904 117.803 118.700 0.011 0.000 2.321 474 N HA 0.270 5.009 4.740 -0.001 0.000 0.290 474 N C 0.369 175.890 175.510 0.018 0.000 1.212 474 N CA -0.637 52.432 53.050 0.031 0.000 0.767 474 N CB 1.324 39.823 38.487 0.020 0.000 1.494 474 N HN -0.207 nan 8.380 nan 0.000 0.479 475 L N -0.518 120.736 121.223 0.052 0.000 2.353 475 L HA -0.072 4.267 4.340 -0.001 0.000 0.220 475 L C 0.536 177.432 176.870 0.044 0.000 1.133 475 L CA 0.950 55.818 54.840 0.047 0.000 0.798 475 L CB -0.393 41.734 42.059 0.114 0.000 0.922 475 L HN 0.682 nan 8.230 nan 0.000 0.445 476 D N 0.040 120.467 120.400 0.044 0.000 2.363 476 D HA -0.096 4.543 4.640 -0.001 0.000 0.226 476 D C 1.707 177.865 176.300 -0.237 0.000 1.020 476 D CA 0.511 54.490 54.000 -0.035 0.000 0.892 476 D CB 0.188 41.024 40.800 0.060 0.000 0.900 476 D HN 0.460 nan 8.370 nan 0.000 0.531 477 E N 0.170 120.247 120.200 -0.205 0.000 2.274 477 E HA -0.015 4.334 4.350 -0.001 0.000 0.194 477 E C 2.023 178.407 176.600 -0.361 0.000 0.996 477 E CA 0.109 56.368 56.400 -0.235 0.000 0.840 477 E CB 0.164 29.765 29.700 -0.165 0.000 0.772 477 E HN 0.304 nan 8.360 nan 0.000 0.491 478 L N 0.937 121.882 121.223 -0.464 0.000 2.275 478 L HA -0.159 4.180 4.340 -0.001 0.000 0.215 478 L C 2.499 178.931 176.870 -0.730 0.000 1.119 478 L CA 0.809 55.278 54.840 -0.618 0.000 0.790 478 L CB -0.264 41.494 42.059 -0.502 0.000 0.919 478 L HN 0.185 nan 8.230 nan 0.000 0.443 479 E N 0.732 120.273 120.200 -1.097 0.000 2.023 479 E HA -0.277 4.072 4.350 -0.001 0.000 0.196 479 E C 1.933 178.316 176.600 -0.361 0.000 1.003 479 E CA 1.772 57.640 56.400 -0.887 0.000 0.809 479 E CB 0.131 29.327 29.700 -0.841 0.000 0.755 479 E HN 0.458 nan 8.360 nan 0.000 0.449 480 E N 0.588 120.615 120.200 -0.289 0.000 2.051 480 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 480 E C 2.201 178.747 176.600 -0.089 0.000 0.991 480 E CA 1.238 57.545 56.400 -0.154 0.000 0.799 480 E CB -0.150 29.460 29.700 -0.150 0.000 0.748 480 E HN 0.294 nan 8.360 nan 0.000 0.449 481 L N 0.238 121.369 121.223 -0.153 0.000 2.046 481 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 481 L C 2.458 179.419 176.870 0.152 0.000 1.077 481 L CA 1.112 55.924 54.840 -0.046 0.000 0.747 481 L CB -0.535 41.385 42.059 -0.232 0.000 0.896 481 L HN 0.186 nan 8.230 nan 0.000 0.432 482 A N 0.302 123.143 122.820 0.036 0.000 1.898 482 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 482 A C 2.213 179.900 177.584 0.172 0.000 1.181 482 A CA 1.318 53.497 52.037 0.237 0.000 0.620 482 A CB -0.594 18.488 19.000 0.137 0.000 0.819 482 A HN 0.316 nan 8.150 nan 0.000 0.442 483 I N -0.560 120.071 120.570 0.102 0.000 2.091 483 I HA -0.286 3.883 4.170 -0.001 0.000 0.239 483 I C 2.321 178.568 176.117 0.217 0.000 1.061 483 I CA 1.187 62.570 61.300 0.139 0.000 1.317 483 I CB -0.444 37.637 38.000 0.135 0.000 1.031 483 I HN 0.224 nan 8.210 nan 0.000 0.401 484 L N 0.764 122.146 121.223 0.265 0.000 2.012 484 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 484 L C 2.755 179.899 176.870 0.456 0.000 1.073 484 L CA 2.280 57.378 54.840 0.431 0.000 0.748 484 L CB -1.742 40.577 42.059 0.433 0.000 0.891 484 L HN 0.259 nan 8.230 nan 0.000 0.431 485 A N -0.941 122.094 122.820 0.358 0.000 1.858 485 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 485 A C 2.416 180.072 177.584 0.120 0.000 1.190 485 A CA 2.063 54.258 52.037 0.263 0.000 0.617 485 A CB -0.938 18.154 19.000 0.154 0.000 0.827 485 A HN 0.219 nan 8.150 nan 0.000 0.443 486 V N -0.128 119.845 119.914 0.098 0.000 2.261 486 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 486 V C 2.639 178.715 176.094 -0.030 0.000 1.047 486 V CA 2.321 64.635 62.300 0.023 0.000 1.015 486 V CB -0.886 30.953 31.823 0.026 0.000 0.642 486 V HN 0.515 nan 8.190 nan 0.000 0.446 487 R N 0.056 120.553 120.500 -0.005 0.000 2.091 487 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 487 R C 2.442 178.484 176.300 -0.430 0.000 1.136 487 R CA 1.601 57.633 56.100 -0.112 0.000 0.959 487 R CB -0.646 29.665 30.300 0.017 0.000 0.856 487 R HN 0.550 nan 8.270 nan 0.000 0.437 488 A N 0.944 123.466 122.820 -0.497 0.000 1.902 488 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 488 A C 2.136 179.425 177.584 -0.492 0.000 1.181 488 A CA 1.180 52.710 52.037 -0.845 0.000 0.623 488 A CB -0.488 17.970 19.000 -0.905 0.000 0.818 488 A HN 0.188 nan 8.150 nan 0.000 0.443 489 L N -0.911 120.161 121.223 -0.252 0.000 2.156 489 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 489 L C 2.279 179.061 176.870 -0.146 0.000 1.095 489 L CA 1.542 56.283 54.840 -0.165 0.000 0.770 489 L CB -0.594 41.415 42.059 -0.083 0.000 0.914 489 L HN 0.411 nan 8.230 nan 0.000 0.439 490 D N 0.351 120.663 120.400 -0.148 0.000 2.144 490 D HA -0.160 4.479 4.640 -0.001 0.000 0.199 490 D C 2.188 178.413 176.300 -0.125 0.000 0.984 490 D CA 1.235 55.169 54.000 -0.109 0.000 0.834 490 D CB 0.217 40.960 40.800 -0.094 0.000 0.955 490 D HN 0.241 nan 8.370 nan 0.000 0.465 491 A N 0.020 122.708 122.820 -0.221 0.000 1.902 491 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 491 A C 2.092 179.587 177.584 -0.149 0.000 1.181 491 A CA 1.115 53.020 52.037 -0.220 0.000 0.623 491 A CB -0.866 17.888 19.000 -0.409 0.000 0.818 491 A HN 0.376 nan 8.150 nan 0.000 0.443 492 L N 0.079 121.188 121.223 -0.189 0.000 2.079 492 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 492 L C 2.236 179.146 176.870 0.066 0.000 1.081 492 L CA 1.665 56.453 54.840 -0.087 0.000 0.752 492 L CB -0.551 41.411 42.059 -0.162 0.000 0.896 492 L HN 0.432 nan 8.230 nan 0.000 0.433 493 L N -0.754 120.500 121.223 0.051 0.000 2.127 493 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 493 L C 1.809 178.795 176.870 0.193 0.000 1.089 493 L CA 1.296 56.219 54.840 0.139 0.000 0.757 493 L CB -0.798 41.312 42.059 0.085 0.000 0.899 493 L HN 0.324 nan 8.230 nan 0.000 0.434 494 D N -1.719 118.755 120.400 0.122 0.000 2.333 494 D HA -0.120 4.519 4.640 -0.001 0.000 0.208 494 D C 1.790 178.194 176.300 0.173 0.000 0.984 494 D CA 0.613 54.689 54.000 0.127 0.000 0.873 494 D CB 0.168 40.999 40.800 0.053 0.000 0.935 494 D HN 0.299 nan 8.370 nan 0.000 0.521 495 Y N 2.050 122.369 120.300 0.033 0.000 2.269 495 Y HA -0.029 4.520 4.550 -0.002 0.000 0.294 495 Y C 1.234 177.196 175.900 0.104 0.000 1.120 495 Y CA 0.552 58.678 58.100 0.042 0.000 1.159 495 Y CB 0.094 38.560 38.460 0.010 0.000 1.024 495 Y HN -0.065 nan 8.280 nan 0.000 0.532 496 Q N 0.652 120.560 119.800 0.180 0.000 2.382 496 Q HA 0.188 4.527 4.340 -0.001 0.000 0.229 496 Q C -0.952 174.899 176.000 -0.247 0.000 1.006 496 Q CA -0.623 55.189 55.803 0.016 0.000 0.916 496 Q CB 0.761 29.558 28.738 0.097 0.000 1.235 496 Q HN 0.102 nan 8.270 nan 0.000 0.512 497 D N 0.118 120.306 120.400 -0.353 0.000 2.229 497 D HA 0.286 4.925 4.640 -0.001 0.000 0.249 497 D C -1.323 174.658 176.300 -0.531 0.000 1.027 497 D CA -0.196 53.612 54.000 -0.319 0.000 0.923 497 D CB 0.783 41.455 40.800 -0.214 0.000 1.174 497 D HN 0.438 nan 8.370 nan 0.000 0.443 498 Y N 1.123 121.410 120.300 -0.023 0.000 2.376 498 Y HA 0.241 4.790 4.550 -0.001 0.000 0.326 498 Y C -1.269 174.599 175.900 -0.054 0.000 0.970 498 Y CA -1.457 56.642 58.100 -0.002 0.000 1.248 498 Y CB 1.690 40.162 38.460 0.020 0.000 1.117 498 Y HN 0.212 nan 8.280 nan 0.000 0.476 499 P HA 0.010 nan 4.420 nan 0.000 0.223 499 P C -0.111 177.140 177.300 -0.081 0.000 1.151 499 P CA 1.205 64.226 63.100 -0.131 0.000 0.787 499 P CB 1.034 32.539 31.700 -0.324 0.000 0.788 500 I N 0.014 120.576 120.570 -0.012 0.000 2.447 500 I HA 0.237 4.406 4.170 -0.001 0.000 0.287 500 I C -1.663 174.503 176.117 0.082 0.000 1.023 500 I CA -2.703 58.617 61.300 0.033 0.000 1.083 500 I CB 2.470 40.502 38.000 0.055 0.000 1.245 500 I HN -0.333 nan 8.210 nan 0.000 0.434 501 P HA -0.329 nan 4.420 nan 0.000 0.219 501 P C 1.476 178.799 177.300 0.039 0.000 1.161 501 P CA 1.986 65.108 63.100 0.037 0.000 0.909 501 P CB 0.168 31.887 31.700 0.032 0.000 0.793 502 A N -0.725 122.132 122.820 0.062 0.000 1.978 502 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 502 A C 2.317 179.942 177.584 0.070 0.000 1.170 502 A CA 2.316 54.395 52.037 0.071 0.000 0.636 502 A CB -1.486 17.560 19.000 0.076 0.000 0.810 502 A HN 0.256 nan 8.150 nan 0.000 0.448 503 A N -0.611 122.276 122.820 0.112 0.000 1.897 503 A HA -0.069 4.250 4.320 -0.001 0.000 0.215 503 A C 2.128 179.711 177.584 -0.003 0.000 1.181 503 A CA 1.637 53.761 52.037 0.146 0.000 0.620 503 A CB -0.406 18.809 19.000 0.358 0.000 0.821 503 A HN 0.469 nan 8.150 nan 0.000 0.443 504 K N -0.362 119.960 120.400 -0.130 0.000 2.032 504 K HA -0.186 4.133 4.320 -0.001 0.000 0.209 504 K C 2.302 178.663 176.600 -0.399 0.000 1.048 504 K CA 1.281 57.223 56.287 -0.575 0.000 0.927 504 K CB -0.224 32.035 32.500 -0.403 0.000 0.712 504 K HN 0.323 nan 8.250 nan 0.000 0.441 505 R N -0.536 119.846 120.500 -0.197 0.000 2.113 505 R HA -0.159 4.180 4.340 -0.001 0.000 0.244 505 R C 2.372 178.452 176.300 -0.368 0.000 1.142 505 R CA 1.828 57.825 56.100 -0.171 0.000 0.953 505 R CB -0.805 29.543 30.300 0.080 0.000 0.860 505 R HN 0.406 nan 8.270 nan 0.000 0.438 506 G N 0.125 108.817 108.800 -0.180 0.000 2.402 506 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.216 506 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.216 506 G C 1.565 176.320 174.900 -0.241 0.000 1.162 506 G CA 0.795 45.802 45.100 -0.155 0.000 0.777 506 G HN 0.438 nan 8.290 nan 0.000 0.539 507 A N 0.659 123.343 122.820 -0.227 0.000 1.873 507 A HA 0.054 4.373 4.320 -0.001 0.000 0.215 507 A C 2.409 179.832 177.584 -0.269 0.000 1.186 507 A CA 1.912 53.838 52.037 -0.185 0.000 0.616 507 A CB -0.300 18.627 19.000 -0.121 0.000 0.823 507 A HN 0.291 nan 8.150 nan 0.000 0.442 508 M N -0.494 118.865 119.600 -0.400 0.000 2.254 508 M HA -0.021 4.458 4.480 -0.001 0.000 0.265 508 M C 2.248 178.251 176.300 -0.495 0.000 1.066 508 M CA 1.276 56.352 55.300 -0.373 0.000 1.123 508 M CB -1.718 30.668 32.600 -0.356 0.000 1.388 508 M HN 0.466 nan 8.290 nan 0.000 0.425 509 G N 1.017 109.305 108.800 -0.854 0.000 2.414 509 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.215 509 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.215 509 G C 1.755 176.317 174.900 -0.565 0.000 1.188 509 G CA 0.301 44.538 45.100 -1.439 0.000 0.783 509 G HN 0.475 nan 8.290 nan 0.000 0.537 510 R N -0.695 119.638 120.500 -0.278 0.000 2.373 510 R HA 0.263 4.602 4.340 -0.001 0.000 0.221 510 R C 0.365 176.694 176.300 0.048 0.000 0.893 510 R CA -0.373 55.759 56.100 0.054 0.000 1.049 510 R CB 0.392 30.824 30.300 0.221 0.000 1.119 510 R HN 0.135 nan 8.270 nan 0.000 0.535 511 R N 2.221 122.697 120.500 -0.040 0.000 3.225 511 R HA -0.128 4.211 4.340 -0.001 0.000 0.245 511 R C -0.521 175.798 176.300 0.031 0.000 0.928 511 R CA 1.085 57.175 56.100 -0.017 0.000 0.632 511 R CB -2.116 28.165 30.300 -0.032 0.000 1.038 511 R HN 0.388 nan 8.270 nan 0.000 0.461 512 T N -1.249 113.341 114.554 0.059 0.000 2.884 512 T HA 0.580 4.929 4.350 -0.001 0.000 0.298 512 T C 0.632 175.364 174.700 0.053 0.000 0.998 512 T CA -0.677 61.476 62.100 0.089 0.000 1.124 512 T CB 1.564 70.510 68.868 0.131 0.000 0.931 512 T HN 0.242 nan 8.240 nan 0.000 0.531 513 L N 1.755 123.005 121.223 0.044 0.000 2.301 513 L HA 0.806 5.145 4.340 -0.001 0.000 0.264 513 L C 0.527 177.407 176.870 0.016 0.000 1.016 513 L CA -1.293 53.557 54.840 0.017 0.000 0.821 513 L CB 2.411 44.468 42.059 -0.003 0.000 1.346 513 L HN 0.950 nan 8.230 nan 0.000 0.429 514 G N 2.019 110.815 108.800 -0.006 0.000 3.171 514 G HA2 0.601 4.560 3.960 -0.001 0.000 0.305 514 G HA3 0.601 4.560 3.960 -0.001 0.000 0.305 514 G C -0.968 173.904 174.900 -0.046 0.000 1.584 514 G CA -0.138 44.954 45.100 -0.013 0.000 1.070 514 G HN 0.318 nan 8.290 nan 0.000 0.535 515 I N 1.968 122.500 120.570 -0.065 0.000 2.412 515 I HA 0.698 4.867 4.170 -0.001 0.000 0.296 515 I C 0.892 176.937 176.117 -0.120 0.000 0.987 515 I CA -0.471 60.733 61.300 -0.159 0.000 1.180 515 I CB 2.145 39.984 38.000 -0.267 0.000 1.340 515 I HN 0.465 nan 8.210 nan 0.000 0.455 516 G N 4.672 113.391 108.800 -0.135 0.000 3.166 516 G HA2 0.751 4.710 3.960 -0.001 0.000 0.267 516 G HA3 0.751 4.710 3.960 -0.001 0.000 0.267 516 G C -0.970 173.920 174.900 -0.016 0.000 1.256 516 G CA -0.412 44.672 45.100 -0.027 0.000 0.859 516 G HN 0.534 nan 8.290 nan 0.000 0.590 517 V N -1.565 118.386 119.914 0.062 0.000 3.001 517 V HA 0.890 5.010 4.120 -0.001 0.000 0.314 517 V C -0.349 175.814 176.094 0.115 0.000 1.099 517 V CA -1.023 61.333 62.300 0.092 0.000 0.989 517 V CB 1.421 33.298 31.823 0.090 0.000 1.040 517 V HN 1.145 nan 8.190 nan 0.000 0.434 518 I N -0.860 119.797 120.570 0.146 0.000 3.042 518 I HA 0.745 4.914 4.170 -0.001 0.000 0.310 518 I C 0.270 176.527 176.117 0.233 0.000 1.117 518 I CA -0.771 60.636 61.300 0.177 0.000 1.003 518 I CB 2.214 40.303 38.000 0.149 0.000 1.228 518 I HN 0.719 nan 8.210 nan 0.000 0.443 519 N N 0.814 119.681 118.700 0.279 0.000 2.829 519 N HA -0.244 4.496 4.740 -0.001 0.000 0.250 519 N C 0.189 175.960 175.510 0.434 0.000 1.090 519 N CA 1.015 54.277 53.050 0.353 0.000 0.781 519 N CB -1.093 37.599 38.487 0.341 0.000 1.124 519 N HN 0.863 nan 8.380 nan 0.000 0.559 520 F N 0.965 121.067 119.950 0.254 0.000 2.095 520 F HA -0.053 4.473 4.527 -0.002 0.000 0.298 520 F C 2.230 178.230 175.800 0.333 0.000 1.104 520 F CA 2.228 60.380 58.000 0.254 0.000 1.232 520 F CB -0.753 38.402 39.000 0.259 0.000 0.987 520 F HN 0.215 nan 8.300 nan 0.000 0.475 521 A N -0.414 122.663 122.820 0.428 0.000 1.873 521 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 521 A C 2.182 179.947 177.584 0.301 0.000 1.193 521 A CA 1.948 54.221 52.037 0.394 0.000 0.629 521 A CB -1.831 17.510 19.000 0.569 0.000 0.826 521 A HN 0.586 nan 8.150 nan 0.000 0.447 522 Y N -0.963 119.506 120.300 0.281 0.000 2.128 522 Y HA -0.306 4.243 4.550 -0.001 0.000 0.284 522 Y C 2.212 178.144 175.900 0.053 0.000 1.154 522 Y CA 1.816 60.012 58.100 0.160 0.000 1.149 522 Y CB -1.102 37.511 38.460 0.255 0.000 0.976 522 Y HN 0.459 nan 8.280 nan 0.000 0.505 523 Y N 0.292 120.512 120.300 -0.133 0.000 2.081 523 Y HA -0.314 4.235 4.550 -0.002 0.000 0.280 523 Y C 2.293 178.073 175.900 -0.200 0.000 1.163 523 Y CA 2.337 60.315 58.100 -0.203 0.000 1.135 523 Y CB -0.672 37.742 38.460 -0.076 0.000 0.970 523 Y HN 0.173 nan 8.280 nan 0.000 0.498 524 L N -0.488 120.574 121.223 -0.267 0.000 2.083 524 L HA -0.240 4.099 4.340 -0.001 0.000 0.209 524 L C 2.777 179.468 176.870 -0.298 0.000 1.083 524 L CA 1.185 55.793 54.840 -0.386 0.000 0.752 524 L CB -1.269 40.471 42.059 -0.533 0.000 0.899 524 L HN 0.405 nan 8.230 nan 0.000 0.433 525 A N 1.444 124.081 122.820 -0.305 0.000 1.883 525 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 525 A C 2.245 179.611 177.584 -0.364 0.000 1.186 525 A CA 2.037 53.851 52.037 -0.372 0.000 0.624 525 A CB -0.487 18.101 19.000 -0.686 0.000 0.822 525 A HN 0.539 nan 8.150 nan 0.000 0.444 526 K N -1.202 118.923 120.400 -0.459 0.000 2.504 526 K HA -0.095 4.224 4.320 -0.001 0.000 0.195 526 K C 0.556 176.831 176.600 -0.542 0.000 1.036 526 K CA 1.515 57.506 56.287 -0.494 0.000 0.984 526 K CB -0.336 31.786 32.500 -0.631 0.000 0.788 526 K HN 0.617 nan 8.250 nan 0.000 0.488 527 H N 0.115 118.943 119.070 -0.403 0.000 2.542 527 H HA 0.221 4.776 4.556 -0.002 0.000 0.283 527 H C 0.493 175.667 175.328 -0.258 0.000 1.059 527 H CA 0.372 56.209 56.048 -0.351 0.000 1.162 527 H CB 1.085 30.572 29.762 -0.458 0.000 1.539 527 H HN 0.487 nan 8.280 nan 0.000 0.543 528 G N 1.650 110.352 108.800 -0.163 0.000 2.305 528 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.287 528 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.287 528 G C -0.166 174.672 174.900 -0.103 0.000 1.036 528 G CA 0.185 45.209 45.100 -0.128 0.000 0.887 528 G HN 0.223 nan 8.290 nan 0.000 0.505 529 K N -0.549 119.774 120.400 -0.128 0.000 2.295 529 K HA 0.698 5.018 4.320 -0.001 0.000 0.239 529 K C 0.605 177.136 176.600 -0.115 0.000 0.991 529 K CA -0.787 55.428 56.287 -0.119 0.000 0.845 529 K CB 1.864 34.273 32.500 -0.152 0.000 1.197 529 K HN 0.379 nan 8.250 nan 0.000 0.441 530 R N -0.041 120.418 120.500 -0.068 0.000 2.960 530 R HA 0.376 4.715 4.340 -0.001 0.000 0.249 530 R C 0.692 176.990 176.300 -0.004 0.000 1.192 530 R CA -0.766 55.338 56.100 0.006 0.000 1.035 530 R CB 0.351 30.699 30.300 0.080 0.000 1.234 530 R HN 0.504 nan 8.270 nan 0.000 0.493 531 Y N 0.191 120.532 120.300 0.068 0.000 2.301 531 Y HA -0.112 4.438 4.550 -0.001 0.000 0.295 531 Y C 2.601 178.562 175.900 0.101 0.000 1.119 531 Y CA 1.721 59.889 58.100 0.114 0.000 1.162 531 Y CB 0.202 38.761 38.460 0.165 0.000 1.046 531 Y HN 0.617 nan 8.280 nan 0.000 0.538 532 S N -0.495 115.359 115.700 0.256 0.000 2.461 532 S HA -0.109 4.361 4.470 -0.001 0.000 0.228 532 S C 1.066 175.733 174.600 0.112 0.000 1.005 532 S CA 1.107 59.408 58.200 0.168 0.000 0.942 532 S CB -0.406 62.873 63.200 0.130 0.000 0.776 532 S HN 0.565 nan 8.310 nan 0.000 0.514 533 D N -0.103 120.350 120.400 0.087 0.000 2.349 533 D HA 0.334 4.973 4.640 -0.001 0.000 0.214 533 D C 1.375 177.697 176.300 0.038 0.000 1.063 533 D CA 0.495 54.529 54.000 0.057 0.000 0.847 533 D CB -0.408 40.419 40.800 0.046 0.000 0.933 533 D HN 0.508 nan 8.370 nan 0.000 0.513 534 G N 0.493 109.313 108.800 0.034 0.000 2.175 534 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.244 534 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.244 534 G C 1.212 176.109 174.900 -0.005 0.000 0.982 534 G CA 0.760 45.864 45.100 0.007 0.000 0.641 534 G HN 0.674 nan 8.290 nan 0.000 0.527 535 S N -0.331 115.366 115.700 -0.003 0.000 2.474 535 S HA 0.379 4.848 4.470 -0.001 0.000 0.235 535 S C 2.148 176.726 174.600 -0.037 0.000 0.997 535 S CA 1.432 59.620 58.200 -0.019 0.000 0.949 535 S CB -0.029 63.159 63.200 -0.020 0.000 0.766 535 S HN 1.755 nan 8.310 nan 0.000 0.517 536 A N 0.848 123.644 122.820 -0.040 0.000 2.348 536 A HA 0.349 4.668 4.320 -0.001 0.000 0.224 536 A C 1.640 179.228 177.584 0.007 0.000 1.227 536 A CA 0.028 52.035 52.037 -0.049 0.000 0.885 536 A CB -0.320 18.612 19.000 -0.113 0.000 0.933 536 A HN 0.464 nan 8.150 nan 0.000 0.506 537 N N 1.900 120.601 118.700 0.003 0.000 2.011 537 N HA -0.198 4.541 4.740 -0.001 0.000 0.199 537 N C 1.315 176.858 175.510 0.055 0.000 1.047 537 N CA 1.991 55.050 53.050 0.015 0.000 0.863 537 N CB -0.402 38.067 38.487 -0.029 0.000 1.056 537 N HN 0.441 nan 8.380 nan 0.000 0.427 538 N N 0.353 119.068 118.700 0.024 0.000 2.166 538 N HA -0.096 4.643 4.740 -0.001 0.000 0.186 538 N C 1.731 177.282 175.510 0.068 0.000 1.019 538 N CA 0.407 53.476 53.050 0.032 0.000 0.856 538 N CB -0.518 37.963 38.487 -0.010 0.000 0.993 538 N HN 0.214 nan 8.380 nan 0.000 0.426 539 L N 1.164 122.408 121.223 0.035 0.000 2.046 539 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 539 L C 1.865 178.818 176.870 0.139 0.000 1.077 539 L CA 1.762 56.614 54.840 0.019 0.000 0.747 539 L CB -1.240 40.764 42.059 -0.091 0.000 0.896 539 L HN 0.040 nan 8.230 nan 0.000 0.432 540 T N -0.978 113.705 114.554 0.216 0.000 2.746 540 T HA -0.224 4.125 4.350 -0.001 0.000 0.267 540 T C 1.839 176.758 174.700 0.365 0.000 1.039 540 T CA 1.555 63.889 62.100 0.389 0.000 1.142 540 T CB -0.533 68.558 68.868 0.371 0.000 0.866 540 T HN 0.540 nan 8.240 nan 0.000 0.444 541 H N 1.645 120.816 119.070 0.168 0.000 2.353 541 H HA -0.030 4.525 4.556 -0.001 0.000 0.300 541 H C 2.422 177.791 175.328 0.067 0.000 1.090 541 H CA 1.834 57.989 56.048 0.178 0.000 1.327 541 H CB -0.151 29.672 29.762 0.103 0.000 1.383 541 H HN 0.325 nan 8.280 nan 0.000 0.508 542 K N -0.117 120.394 120.400 0.185 0.000 2.026 542 K HA -0.111 4.209 4.320 -0.001 0.000 0.208 542 K C 2.054 178.606 176.600 -0.080 0.000 1.048 542 K CA 1.909 58.169 56.287 -0.045 0.000 0.929 542 K CB -0.025 32.394 32.500 -0.134 0.000 0.713 542 K HN 0.252 nan 8.250 nan 0.000 0.439 543 T N 0.491 115.039 114.554 -0.009 0.000 2.746 543 T HA -0.108 4.242 4.350 -0.001 0.000 0.267 543 T C 1.576 176.077 174.700 -0.330 0.000 1.039 543 T CA 1.469 63.496 62.100 -0.122 0.000 1.142 543 T CB -0.306 68.512 68.868 -0.083 0.000 0.866 543 T HN 0.178 nan 8.240 nan 0.000 0.444 544 F N 1.122 120.959 119.950 -0.189 0.000 2.456 544 F HA 0.148 4.674 4.527 -0.001 0.000 0.298 544 F C 2.495 177.883 175.800 -0.686 0.000 1.104 544 F CA 0.359 58.197 58.000 -0.271 0.000 1.435 544 F CB -0.143 38.803 39.000 -0.091 0.000 1.078 544 F HN 0.162 nan 8.300 nan 0.000 0.546 545 E N 0.676 120.332 120.200 -0.906 0.000 2.072 545 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 545 E C 2.392 178.807 176.600 -0.309 0.000 0.985 545 E CA 1.044 56.849 56.400 -0.991 0.000 0.801 545 E CB -0.096 29.271 29.700 -0.554 0.000 0.750 545 E HN 0.321 nan 8.360 nan 0.000 0.452 546 A N 1.493 124.173 122.820 -0.235 0.000 1.865 546 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 546 A C 2.228 179.670 177.584 -0.236 0.000 1.191 546 A CA 1.577 53.427 52.037 -0.312 0.000 0.623 546 A CB -0.801 18.171 19.000 -0.046 0.000 0.826 546 A HN 0.324 nan 8.150 nan 0.000 0.444 547 I N -0.995 119.470 120.570 -0.176 0.000 2.127 547 I HA -0.324 3.845 4.170 -0.001 0.000 0.241 547 I C 2.847 178.986 176.117 0.036 0.000 1.075 547 I CA 2.051 63.313 61.300 -0.064 0.000 1.334 547 I CB -0.275 37.670 38.000 -0.091 0.000 1.040 547 I HN 0.425 nan 8.210 nan 0.000 0.405 548 Q N 0.095 119.934 119.800 0.065 0.000 2.079 548 Q HA -0.259 4.080 4.340 -0.001 0.000 0.200 548 Q C 2.046 178.070 176.000 0.040 0.000 0.974 548 Q CA 1.788 57.708 55.803 0.194 0.000 0.840 548 Q CB -0.551 28.461 28.738 0.456 0.000 0.898 548 Q HN 0.556 nan 8.270 nan 0.000 0.430 549 Y N -0.500 119.606 120.300 -0.323 0.000 2.070 549 Y HA -0.313 4.236 4.550 -0.002 0.000 0.280 549 Y C 1.590 177.115 175.900 -0.625 0.000 1.148 549 Y CA 2.150 59.747 58.100 -0.838 0.000 1.125 549 Y CB -0.580 37.123 38.460 -1.261 0.000 0.975 549 Y HN 0.197 nan 8.280 nan 0.000 0.492 550 Y N -0.078 119.985 120.300 -0.394 0.000 2.333 550 Y HA -0.192 4.357 4.550 -0.002 0.000 0.290 550 Y C 2.376 178.122 175.900 -0.256 0.000 1.144 550 Y CA 1.303 59.182 58.100 -0.367 0.000 1.228 550 Y CB -0.733 37.575 38.460 -0.253 0.000 0.985 550 Y HN 0.190 nan 8.280 nan 0.000 0.542 551 L N -1.085 120.129 121.223 -0.015 0.000 2.027 551 L HA -0.222 4.117 4.340 -0.001 0.000 0.206 551 L C 2.218 179.035 176.870 -0.089 0.000 1.074 551 L CA 1.105 55.957 54.840 0.020 0.000 0.745 551 L CB -0.579 41.534 42.059 0.090 0.000 0.898 551 L HN 0.222 nan 8.230 nan 0.000 0.433 552 L N -0.455 120.662 121.223 -0.177 0.000 2.056 552 L HA -0.241 4.098 4.340 -0.001 0.000 0.207 552 L C 2.633 179.332 176.870 -0.284 0.000 1.078 552 L CA 1.226 55.923 54.840 -0.239 0.000 0.749 552 L CB -0.437 41.480 42.059 -0.237 0.000 0.901 552 L HN 0.221 nan 8.230 nan 0.000 0.433 553 K N 0.217 120.373 120.400 -0.405 0.000 2.020 553 K HA -0.234 4.085 4.320 -0.001 0.000 0.212 553 K C 2.158 178.654 176.600 -0.172 0.000 1.050 553 K CA 1.678 57.761 56.287 -0.340 0.000 0.929 553 K CB -0.195 32.050 32.500 -0.425 0.000 0.714 553 K HN 0.286 nan 8.250 nan 0.000 0.443 554 A N 0.079 122.834 122.820 -0.108 0.000 1.865 554 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 554 A C 2.248 179.796 177.584 -0.060 0.000 1.191 554 A CA 2.296 54.308 52.037 -0.042 0.000 0.623 554 A CB -1.072 17.936 19.000 0.014 0.000 0.826 554 A HN 0.390 nan 8.150 nan 0.000 0.444 555 S N -0.453 115.195 115.700 -0.086 0.000 2.356 555 S HA -0.194 4.275 4.470 -0.001 0.000 0.223 555 S C 2.127 176.649 174.600 -0.130 0.000 1.032 555 S CA 1.411 59.550 58.200 -0.102 0.000 1.005 555 S CB -0.588 62.540 63.200 -0.120 0.000 0.867 555 S HN 0.745 nan 8.310 nan 0.000 0.449 556 N N 0.327 118.935 118.700 -0.153 0.000 2.069 556 N HA -0.156 4.583 4.740 -0.001 0.000 0.191 556 N C 1.508 176.938 175.510 -0.133 0.000 1.031 556 N CA 1.327 54.286 53.050 -0.151 0.000 0.852 556 N CB -0.156 38.242 38.487 -0.149 0.000 1.018 556 N HN 0.344 nan 8.380 nan 0.000 0.423 557 E N 1.141 121.272 120.200 -0.115 0.000 2.058 557 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 557 E C 2.041 178.589 176.600 -0.088 0.000 0.997 557 E CA 0.535 56.877 56.400 -0.097 0.000 0.801 557 E CB -0.675 28.994 29.700 -0.053 0.000 0.746 557 E HN 0.334 nan 8.360 nan 0.000 0.450 558 L N 0.950 122.130 121.223 -0.071 0.000 2.079 558 L HA -0.128 4.211 4.340 -0.001 0.000 0.210 558 L C 2.161 178.972 176.870 -0.098 0.000 1.081 558 L CA 1.997 56.795 54.840 -0.070 0.000 0.752 558 L CB -0.871 41.153 42.059 -0.059 0.000 0.896 558 L HN 0.068 nan 8.230 nan 0.000 0.433 559 A N -1.001 121.747 122.820 -0.120 0.000 1.930 559 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 559 A C 2.329 179.846 177.584 -0.112 0.000 1.175 559 A CA 1.664 53.620 52.037 -0.134 0.000 0.627 559 A CB -0.437 18.451 19.000 -0.188 0.000 0.815 559 A HN 0.464 nan 8.150 nan 0.000 0.443 560 K N -0.599 119.723 120.400 -0.131 0.000 2.009 560 K HA -0.223 4.096 4.320 -0.001 0.000 0.210 560 K C 2.169 178.703 176.600 -0.110 0.000 1.049 560 K CA 1.777 57.971 56.287 -0.155 0.000 0.929 560 K CB -0.182 32.160 32.500 -0.263 0.000 0.714 560 K HN 0.724 nan 8.250 nan 0.000 0.440 561 E N 0.700 120.837 120.200 -0.104 0.000 2.047 561 E HA -0.198 4.151 4.350 -0.001 0.000 0.191 561 E C 1.328 177.867 176.600 -0.101 0.000 0.987 561 E CA 1.298 57.641 56.400 -0.096 0.000 0.799 561 E CB 0.278 29.922 29.700 -0.092 0.000 0.752 561 E HN 0.284 nan 8.360 nan 0.000 0.449 562 Q N -0.984 118.754 119.800 -0.104 0.000 2.164 562 Q HA 0.258 4.597 4.340 -0.001 0.000 0.226 562 Q C -0.495 175.453 176.000 -0.086 0.000 0.813 562 Q CA 0.174 55.914 55.803 -0.104 0.000 0.978 562 Q CB 2.132 30.796 28.738 -0.123 0.000 1.149 562 Q HN 0.310 nan 8.270 nan 0.000 0.489 563 G N 1.275 110.025 108.800 -0.082 0.000 2.785 563 G HA2 0.007 3.966 3.960 -0.001 0.000 0.686 563 G HA3 0.007 3.966 3.960 -0.001 0.000 0.686 563 G C -0.363 174.478 174.900 -0.098 0.000 1.155 563 G CA -0.522 44.534 45.100 -0.074 0.000 0.760 563 G HN 0.305 nan 8.290 nan 0.000 0.624 564 A N 1.136 123.881 122.820 -0.124 0.000 2.366 564 A HA 0.646 4.965 4.320 -0.001 0.000 0.250 564 A C 1.633 179.174 177.584 -0.071 0.000 1.099 564 A CA 0.545 52.473 52.037 -0.182 0.000 0.794 564 A CB -0.231 18.546 19.000 -0.371 0.000 1.056 564 A HN 2.543 nan 8.150 nan 0.000 0.499 565 C N -0.476 118.812 119.300 -0.020 0.000 2.662 565 C HA 0.397 4.856 4.460 -0.001 0.000 0.420 565 C C -1.073 173.975 174.990 0.096 0.000 1.314 565 C CA -1.080 57.953 59.018 0.025 0.000 1.963 565 C CB -0.295 27.484 27.740 0.064 0.000 2.686 565 C HN 0.690 nan 8.230 nan 0.000 0.609 566 P HA -0.170 nan 4.420 nan 0.000 0.218 566 P C 0.645 178.148 177.300 0.339 0.000 1.165 566 P CA 2.002 65.154 63.100 0.087 0.000 0.922 566 P CB -0.141 31.481 31.700 -0.130 0.000 0.794 567 W N -1.523 119.844 121.300 0.112 0.000 3.285 567 W HA 0.283 4.942 4.660 -0.002 0.000 0.426 567 W C 1.347 177.966 176.519 0.166 0.000 0.957 567 W CA -1.234 56.180 57.345 0.116 0.000 1.932 567 W CB -1.974 27.537 29.460 0.085 0.000 0.961 567 W HN -0.039 nan 8.180 nan 0.000 0.832 568 F N 2.980 123.074 119.950 0.239 0.000 2.216 568 F HA -0.253 4.273 4.527 -0.002 0.000 0.300 568 F C 2.174 178.067 175.800 0.156 0.000 1.085 568 F CA 1.890 59.990 58.000 0.167 0.000 1.326 568 F CB -0.274 38.787 39.000 0.102 0.000 1.027 568 F HN -0.010 nan 8.300 nan 0.000 0.497 569 N N 0.650 119.399 118.700 0.081 0.000 2.519 569 N HA -0.212 4.527 4.740 -0.001 0.000 0.186 569 N C 1.001 176.476 175.510 -0.058 0.000 1.062 569 N CA 1.437 54.472 53.050 -0.024 0.000 0.910 569 N CB -0.764 37.763 38.487 0.066 0.000 0.958 569 N HN 0.527 nan 8.380 nan 0.000 0.445 570 E N 0.302 120.505 120.200 0.005 0.000 2.479 570 E HA 0.004 4.353 4.350 -0.001 0.000 0.193 570 E C 0.233 176.874 176.600 0.069 0.000 1.049 570 E CA 0.175 56.602 56.400 0.045 0.000 0.870 570 E CB 0.330 30.090 29.700 0.100 0.000 0.944 570 E HN 0.532 nan 8.360 nan 0.000 0.492 571 T N -1.759 112.737 114.554 -0.097 0.000 2.918 571 T HA 0.116 4.465 4.350 -0.001 0.000 0.283 571 T C 1.478 176.036 174.700 -0.236 0.000 1.001 571 T CA -0.338 61.642 62.100 -0.201 0.000 1.041 571 T CB 1.629 70.297 68.868 -0.334 0.000 1.028 571 T HN -0.032 nan 8.240 nan 0.000 0.511 572 T N -1.331 113.066 114.554 -0.262 0.000 2.951 572 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 572 T C 1.445 176.018 174.700 -0.211 0.000 1.073 572 T CA 0.572 62.532 62.100 -0.232 0.000 1.134 572 T CB -0.805 67.903 68.868 -0.267 0.000 0.884 572 T HN 0.606 nan 8.240 nan 0.000 0.479 573 Y N 2.412 122.598 120.300 -0.190 0.000 2.165 573 Y HA 0.053 4.602 4.550 -0.002 0.000 0.286 573 Y C 3.052 178.904 175.900 -0.081 0.000 1.155 573 Y CA 0.529 58.583 58.100 -0.076 0.000 1.164 573 Y CB -1.160 37.313 38.460 0.021 0.000 0.978 573 Y HN 0.323 nan 8.280 nan 0.000 0.513 574 A N 0.082 122.725 122.820 -0.294 0.000 1.986 574 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 574 A C 1.984 179.563 177.584 -0.008 0.000 1.171 574 A CA 1.832 53.712 52.037 -0.263 0.000 0.640 574 A CB -0.525 18.127 19.000 -0.580 0.000 0.811 574 A HN 0.434 nan 8.150 nan 0.000 0.451 575 K N -1.409 118.971 120.400 -0.032 0.000 2.476 575 K HA 0.244 4.563 4.320 -0.001 0.000 0.196 575 K C 0.957 177.579 176.600 0.037 0.000 1.025 575 K CA 0.446 56.734 56.287 0.003 0.000 1.138 575 K CB -0.083 32.401 32.500 -0.027 0.000 0.860 575 K HN 0.670 nan 8.250 nan 0.000 0.515 576 G N 1.940 110.789 108.800 0.083 0.000 2.148 576 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.254 576 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.254 576 G C 0.157 175.111 174.900 0.090 0.000 0.981 576 G CA -0.145 45.021 45.100 0.110 0.000 0.670 576 G HN 0.278 nan 8.290 nan 0.000 0.528 577 I N 0.805 121.394 120.570 0.032 0.000 2.428 577 I HA 0.530 4.699 4.170 -0.001 0.000 0.289 577 I C 0.781 176.871 176.117 -0.046 0.000 1.019 577 I CA -0.518 60.770 61.300 -0.020 0.000 1.351 577 I CB 1.141 39.092 38.000 -0.081 0.000 1.412 577 I HN -0.038 nan 8.210 nan 0.000 0.513 578 L N 6.964 128.188 121.223 0.002 0.000 2.301 578 L HA 0.422 4.761 4.340 -0.001 0.000 0.264 578 L C -1.609 175.243 176.870 -0.030 0.000 1.016 578 L CA -1.658 53.211 54.840 0.048 0.000 0.821 578 L CB 2.027 44.222 42.059 0.227 0.000 1.346 578 L HN 0.276 nan 8.230 nan 0.000 0.429 579 P HA -0.194 nan 4.420 nan 0.000 0.216 579 P C 1.525 178.845 177.300 0.032 0.000 1.153 579 P CA 1.554 64.653 63.100 -0.003 0.000 0.858 579 P CB -0.092 31.635 31.700 0.046 0.000 0.789 580 I N -3.348 117.128 120.570 -0.158 0.000 3.010 580 I HA -0.096 4.073 4.170 -0.001 0.000 0.271 580 I C 0.589 176.727 176.117 0.035 0.000 1.293 580 I CA 1.643 62.857 61.300 -0.143 0.000 1.452 580 I CB -0.675 37.087 38.000 -0.396 0.000 1.082 580 I HN -0.148 nan 8.210 nan 0.000 0.484 581 D N 1.349 121.744 120.400 -0.008 0.000 2.388 581 D HA -0.004 4.635 4.640 -0.001 0.000 0.208 581 D C 1.860 178.084 176.300 -0.127 0.000 1.035 581 D CA 1.419 55.383 54.000 -0.060 0.000 0.875 581 D CB 0.448 41.227 40.800 -0.036 0.000 0.984 581 D HN 0.549 nan 8.370 nan 0.000 0.508 582 T N -1.741 112.787 114.554 -0.044 0.000 3.084 582 T HA 0.089 4.438 4.350 -0.001 0.000 0.270 582 T C 0.817 175.393 174.700 -0.208 0.000 1.008 582 T CA -0.683 61.387 62.100 -0.050 0.000 0.900 582 T CB -0.630 68.305 68.868 0.113 0.000 1.084 582 T HN 0.098 nan 8.240 nan 0.000 0.538 583 Y N 1.532 121.571 120.300 -0.436 0.000 2.459 583 Y HA 0.545 5.094 4.550 -0.002 0.000 0.349 583 Y C 0.445 176.019 175.900 -0.544 0.000 1.266 583 Y CA -1.856 55.697 58.100 -0.911 0.000 1.483 583 Y CB 0.436 38.468 38.460 -0.713 0.000 1.362 583 Y HN -0.115 nan 8.280 nan 0.000 0.628 584 K N 2.286 122.477 120.400 -0.348 0.000 2.378 584 K HA 0.087 4.406 4.320 -0.001 0.000 0.288 584 K C 0.463 176.994 176.600 -0.115 0.000 1.057 584 K CA 0.149 56.261 56.287 -0.293 0.000 0.971 584 K CB 0.570 32.853 32.500 -0.362 0.000 0.975 584 K HN 0.778 nan 8.250 nan 0.000 0.475 585 K N 2.542 122.804 120.400 -0.231 0.000 2.160 585 K HA -0.196 4.123 4.320 -0.001 0.000 0.206 585 K C 0.620 177.239 176.600 0.031 0.000 1.047 585 K CA 2.151 58.358 56.287 -0.133 0.000 0.930 585 K CB 0.001 32.394 32.500 -0.178 0.000 0.720 585 K HN 0.703 nan 8.250 nan 0.000 0.450 586 D N 0.756 121.167 120.400 0.017 0.000 2.203 586 D HA -0.202 4.437 4.640 -0.001 0.000 0.199 586 D C 1.499 177.941 176.300 0.236 0.000 0.997 586 D CA 0.888 54.940 54.000 0.086 0.000 0.863 586 D CB -0.097 40.688 40.800 -0.025 0.000 0.928 586 D HN 0.114 nan 8.370 nan 0.000 0.458 587 L N 0.678 122.045 121.223 0.240 0.000 2.137 587 L HA -0.232 4.107 4.340 -0.001 0.000 0.213 587 L C 1.675 178.592 176.870 0.079 0.000 1.085 587 L CA 1.137 56.066 54.840 0.149 0.000 0.760 587 L CB -0.400 41.684 42.059 0.042 0.000 0.893 587 L HN 0.101 nan 8.230 nan 0.000 0.434 588 D N -0.626 119.850 120.400 0.126 0.000 2.158 588 D HA -0.193 4.446 4.640 -0.001 0.000 0.197 588 D C 2.159 178.486 176.300 0.044 0.000 0.995 588 D CA 1.976 56.021 54.000 0.075 0.000 0.846 588 D CB -0.266 40.591 40.800 0.096 0.000 0.941 588 D HN 0.432 nan 8.370 nan 0.000 0.456 589 T N -1.097 113.502 114.554 0.075 0.000 3.035 589 T HA -0.079 4.270 4.350 -0.001 0.000 0.268 589 T C 1.846 176.572 174.700 0.042 0.000 1.109 589 T CA 0.652 62.793 62.100 0.068 0.000 1.119 589 T CB -0.433 68.500 68.868 0.109 0.000 0.900 589 T HN 0.420 nan 8.240 nan 0.000 0.503 590 I N -1.990 118.581 120.570 0.001 0.000 4.154 590 I HA 0.767 4.937 4.170 -0.001 0.000 0.334 590 I C 0.318 176.384 176.117 -0.086 0.000 1.371 590 I CA -1.060 60.196 61.300 -0.073 0.000 1.110 590 I CB 0.390 38.248 38.000 -0.237 0.000 1.085 590 I HN 0.234 nan 8.210 nan 0.000 0.398 591 A N 2.365 125.144 122.820 -0.070 0.000 2.488 591 A HA 0.534 4.853 4.320 -0.001 0.000 0.295 591 A C -0.138 177.378 177.584 -0.114 0.000 1.045 591 A CA -0.611 51.376 52.037 -0.084 0.000 0.703 591 A CB 0.843 19.802 19.000 -0.068 0.000 1.271 591 A HN 0.316 nan 8.150 nan 0.000 0.400 592 N N 1.301 119.929 118.700 -0.119 0.000 2.171 592 N HA 0.051 4.790 4.740 -0.001 0.000 0.212 592 N C -0.019 175.396 175.510 -0.159 0.000 1.184 592 N CA -0.134 52.846 53.050 -0.116 0.000 0.888 592 N CB 0.566 39.016 38.487 -0.062 0.000 1.038 592 N HN 0.677 nan 8.380 nan 0.000 0.517 593 E N 3.492 123.550 120.200 -0.237 0.000 2.452 593 E HA 0.134 4.483 4.350 -0.001 0.000 0.261 593 E C -2.125 174.312 176.600 -0.270 0.000 0.987 593 E CA -1.146 55.124 56.400 -0.216 0.000 0.926 593 E CB 0.730 30.299 29.700 -0.218 0.000 0.934 593 E HN 0.235 nan 8.360 nan 0.000 0.452 594 P HA 0.122 nan 4.420 nan 0.000 0.278 594 P C -0.709 176.758 177.300 0.278 0.000 1.258 594 P CA -0.351 62.800 63.100 0.086 0.000 0.811 594 P CB 0.644 32.393 31.700 0.082 0.000 1.063 595 L N 1.831 123.221 121.223 0.279 0.000 2.380 595 L HA 0.175 4.514 4.340 -0.001 0.000 0.273 595 L C 1.744 178.838 176.870 0.374 0.000 1.138 595 L CA -0.030 55.035 54.840 0.377 0.000 0.832 595 L CB -0.041 42.218 42.059 0.334 0.000 1.124 595 L HN 0.500 nan 8.230 nan 0.000 0.454 596 H N 1.825 120.919 119.070 0.040 0.000 2.705 596 H HA 0.147 4.702 4.556 -0.001 0.000 0.269 596 H C -0.626 174.366 175.328 -0.560 0.000 0.998 596 H CA -0.211 55.678 56.048 -0.265 0.000 1.193 596 H CB 0.599 30.127 29.762 -0.391 0.000 1.485 596 H HN 0.406 nan 8.280 nan 0.000 0.521 597 Y N 0.653 120.920 120.300 -0.055 0.000 2.528 597 Y HA 0.124 4.673 4.550 -0.001 0.000 0.335 597 Y C 0.295 176.008 175.900 -0.312 0.000 1.093 597 Y CA -1.287 56.486 58.100 -0.544 0.000 1.134 597 Y CB 1.060 38.612 38.460 -1.514 0.000 1.253 597 Y HN -0.065 nan 8.280 nan 0.000 0.478 598 D N 1.421 121.696 120.400 -0.207 0.000 2.416 598 D HA 0.006 4.645 4.640 -0.001 0.000 0.240 598 D C -0.092 176.298 176.300 0.151 0.000 1.250 598 D CA 0.141 54.169 54.000 0.046 0.000 0.967 598 D CB 0.001 40.843 40.800 0.071 0.000 1.059 598 D HN 0.520 nan 8.370 nan 0.000 0.512 599 W N 1.747 123.162 121.300 0.191 0.000 2.476 599 W HA -0.022 4.637 4.660 -0.002 0.000 0.281 599 W C 2.057 178.689 176.519 0.188 0.000 1.230 599 W CA -0.003 57.488 57.345 0.244 0.000 1.287 599 W CB 0.273 29.870 29.460 0.228 0.000 1.108 599 W HN 0.349 nan 8.180 nan 0.000 0.567 600 E N 0.110 120.514 120.200 0.340 0.000 2.150 600 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 600 E C 2.212 178.917 176.600 0.174 0.000 0.985 600 E CA 1.325 57.863 56.400 0.229 0.000 0.814 600 E CB -0.843 28.962 29.700 0.175 0.000 0.752 600 E HN 0.265 nan 8.360 nan 0.000 0.466 601 A N 1.462 124.376 122.820 0.157 0.000 1.877 601 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 601 A C 2.281 179.932 177.584 0.111 0.000 1.186 601 A CA 1.224 53.332 52.037 0.118 0.000 0.620 601 A CB -0.663 18.402 19.000 0.107 0.000 0.822 601 A HN 0.236 nan 8.150 nan 0.000 0.443 602 L N -0.133 121.160 121.223 0.115 0.000 2.046 602 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 602 L C 2.489 179.431 176.870 0.120 0.000 1.077 602 L CA 2.323 57.198 54.840 0.058 0.000 0.747 602 L CB -0.534 41.500 42.059 -0.043 0.000 0.896 602 L HN 0.478 nan 8.230 nan 0.000 0.432 603 R N -0.641 119.975 120.500 0.194 0.000 2.094 603 R HA -0.215 4.124 4.340 -0.001 0.000 0.239 603 R C 2.192 178.582 176.300 0.151 0.000 1.137 603 R CA 1.872 58.095 56.100 0.206 0.000 0.943 603 R CB -0.276 30.153 30.300 0.214 0.000 0.850 603 R HN 0.385 nan 8.270 nan 0.000 0.433 604 E N 0.129 120.402 120.200 0.122 0.000 2.058 604 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 604 E C 1.937 178.584 176.600 0.080 0.000 0.997 604 E CA 1.441 57.895 56.400 0.090 0.000 0.801 604 E CB -0.460 29.287 29.700 0.078 0.000 0.746 604 E HN 0.258 nan 8.360 nan 0.000 0.450 605 S N -0.010 115.749 115.700 0.097 0.000 2.382 605 S HA -0.096 4.373 4.470 -0.001 0.000 0.228 605 S C 2.096 176.768 174.600 0.120 0.000 1.027 605 S CA 0.714 58.996 58.200 0.138 0.000 0.991 605 S CB -0.158 63.112 63.200 0.116 0.000 0.823 605 S HN 0.161 nan 8.310 nan 0.000 0.469 606 I N 1.090 121.716 120.570 0.093 0.000 2.142 606 I HA -0.183 3.986 4.170 -0.001 0.000 0.240 606 I C 2.690 178.895 176.117 0.146 0.000 1.078 606 I CA 1.300 62.660 61.300 0.101 0.000 1.343 606 I CB -0.282 37.816 38.000 0.162 0.000 1.046 606 I HN 0.231 nan 8.210 nan 0.000 0.405 607 K N -0.018 120.476 120.400 0.156 0.000 2.074 607 K HA -0.203 4.116 4.320 -0.001 0.000 0.209 607 K C 2.125 178.760 176.600 0.059 0.000 1.048 607 K CA 2.133 58.507 56.287 0.146 0.000 0.926 607 K CB -0.213 32.348 32.500 0.102 0.000 0.713 607 K HN 0.358 nan 8.250 nan 0.000 0.444 608 T N -0.704 113.817 114.554 -0.055 0.000 2.735 608 T HA -0.071 4.278 4.350 -0.001 0.000 0.256 608 T C 1.269 175.760 174.700 -0.348 0.000 1.042 608 T CA 1.309 63.257 62.100 -0.254 0.000 1.147 608 T CB -0.150 68.453 68.868 -0.441 0.000 0.865 608 T HN 0.383 nan 8.240 nan 0.000 0.421 609 H N -0.121 118.920 119.070 -0.047 0.000 2.622 609 H HA 0.485 5.040 4.556 -0.002 0.000 0.269 609 H C 1.362 176.548 175.328 -0.237 0.000 0.977 609 H CA 0.067 56.050 56.048 -0.108 0.000 1.179 609 H CB 0.060 29.763 29.762 -0.098 0.000 1.458 609 H HN 0.525 nan 8.280 nan 0.000 0.531 610 G N 0.691 109.352 108.800 -0.231 0.000 2.752 610 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.234 610 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.234 610 G C -0.703 173.735 174.900 -0.770 0.000 1.367 610 G CA -0.388 44.200 45.100 -0.854 0.000 0.879 610 G HN 0.211 nan 8.290 nan 0.000 0.563 611 L N -0.392 120.115 121.223 -1.194 0.000 2.346 611 L HA 0.602 4.941 4.340 -0.001 0.000 0.274 611 L C 1.488 178.166 176.870 -0.320 0.000 1.007 611 L CA -0.878 53.679 54.840 -0.471 0.000 0.818 611 L CB 1.944 43.894 42.059 -0.181 0.000 1.284 611 L HN 0.746 nan 8.230 nan 0.000 0.424 612 R N 1.845 122.233 120.500 -0.186 0.000 2.090 612 R HA -0.005 4.334 4.340 -0.001 0.000 0.228 612 R C -0.231 176.037 176.300 -0.053 0.000 1.110 612 R CA 1.258 57.288 56.100 -0.117 0.000 0.973 612 R CB -0.063 30.177 30.300 -0.099 0.000 0.869 612 R HN 0.691 nan 8.270 nan 0.000 0.440 613 N N -0.811 117.866 118.700 -0.038 0.000 2.372 613 N HA 0.208 4.947 4.740 -0.001 0.000 0.285 613 N C -0.390 175.158 175.510 0.063 0.000 1.008 613 N CA -0.312 52.745 53.050 0.012 0.000 0.880 613 N CB 2.208 40.689 38.487 -0.010 0.000 1.239 613 N HN -0.131 nan 8.380 nan 0.000 0.484 614 S N -0.052 115.730 115.700 0.137 0.000 2.423 614 S HA -0.057 4.412 4.470 -0.001 0.000 0.231 614 S C 0.828 175.465 174.600 0.061 0.000 1.014 614 S CA 0.911 59.208 58.200 0.161 0.000 0.965 614 S CB -0.164 63.198 63.200 0.270 0.000 0.785 614 S HN 0.835 nan 8.310 nan 0.000 0.495 615 T N -1.668 112.936 114.554 0.084 0.000 2.912 615 T HA 0.699 5.048 4.350 -0.001 0.000 0.299 615 T C 0.124 174.858 174.700 0.057 0.000 1.052 615 T CA -0.775 61.373 62.100 0.079 0.000 0.996 615 T CB 1.616 70.556 68.868 0.120 0.000 1.070 615 T HN -0.057 nan 8.240 nan 0.000 0.465 616 L N 1.760 123.016 121.223 0.054 0.000 2.624 616 L HA 0.375 4.714 4.340 -0.001 0.000 0.222 616 L C 1.082 177.976 176.870 0.040 0.000 1.046 616 L CA 0.036 54.896 54.840 0.032 0.000 0.872 616 L CB 0.490 42.559 42.059 0.016 0.000 1.190 616 L HN 0.904 nan 8.230 nan 0.000 0.487 617 S N -0.157 115.584 115.700 0.069 0.000 2.532 617 S HA 0.888 5.357 4.470 -0.001 0.000 0.301 617 S C -0.507 174.123 174.600 0.050 0.000 1.083 617 S CA -0.274 57.966 58.200 0.067 0.000 1.025 617 S CB 2.531 65.807 63.200 0.126 0.000 1.056 617 S HN 0.134 nan 8.310 nan 0.000 0.494 618 A N 2.437 125.274 122.820 0.028 0.000 2.518 618 A HA 0.518 4.837 4.320 -0.001 0.000 0.295 618 A C -1.147 176.433 177.584 -0.008 0.000 1.052 618 A CA -0.747 51.292 52.037 0.004 0.000 0.824 618 A CB 0.665 19.660 19.000 -0.009 0.000 1.325 618 A HN 0.867 nan 8.150 nan 0.000 0.394 619 L N 4.616 125.828 121.223 -0.018 0.000 2.295 619 L HA 0.474 4.813 4.340 -0.001 0.000 0.288 619 L C 0.376 177.214 176.870 -0.053 0.000 1.079 619 L CA -0.234 54.592 54.840 -0.023 0.000 0.830 619 L CB 0.789 42.817 42.059 -0.052 0.000 1.200 619 L HN 0.840 nan 8.230 nan 0.000 0.438 620 M N 4.477 124.051 119.600 -0.042 0.000 2.598 620 M HA 0.703 5.182 4.480 -0.001 0.000 0.317 620 M C -2.810 173.472 176.300 -0.030 0.000 1.179 620 M CA -2.092 53.166 55.300 -0.070 0.000 0.936 620 M CB 1.359 33.922 32.600 -0.062 0.000 1.713 620 M HN 0.029 nan 8.290 nan 0.000 0.460 621 P HA 0.348 nan 4.420 nan 0.000 0.271 621 P C -1.038 176.291 177.300 0.048 0.000 1.244 621 P CA -0.173 62.942 63.100 0.024 0.000 0.793 621 P CB 0.505 32.221 31.700 0.026 0.000 0.984 622 S N -1.876 113.874 115.700 0.083 0.000 2.563 622 S HA 0.378 4.847 4.470 -0.001 0.000 0.279 622 S C 0.003 174.661 174.600 0.097 0.000 1.155 622 S CA -0.503 57.750 58.200 0.088 0.000 0.928 622 S CB 1.952 65.205 63.200 0.087 0.000 1.107 622 S HN 0.446 nan 8.310 nan 0.000 0.462 623 E N 2.417 122.673 120.200 0.093 0.000 2.357 623 E HA 0.199 4.548 4.350 -0.001 0.000 0.202 623 E C 1.415 178.051 176.600 0.060 0.000 0.855 623 E CA 1.103 57.551 56.400 0.080 0.000 1.048 623 E CB -0.125 29.626 29.700 0.084 0.000 1.037 623 E HN 0.666 nan 8.360 nan 0.000 0.499 624 T N 0.156 114.752 114.554 0.070 0.000 2.851 624 T HA -0.062 4.287 4.350 -0.001 0.000 0.262 624 T C 1.894 176.631 174.700 0.062 0.000 1.043 624 T CA 1.365 63.496 62.100 0.053 0.000 1.140 624 T CB -0.303 68.621 68.868 0.092 0.000 0.872 624 T HN 0.191 nan 8.240 nan 0.000 0.446 625 S N 2.474 118.249 115.700 0.124 0.000 2.368 625 S HA -0.107 4.362 4.470 -0.001 0.000 0.225 625 S C 2.401 177.066 174.600 0.108 0.000 1.030 625 S CA 1.229 59.525 58.200 0.159 0.000 0.999 625 S CB -0.664 62.633 63.200 0.163 0.000 0.844 625 S HN 0.476 nan 8.310 nan 0.000 0.459 626 S N 2.301 118.053 115.700 0.085 0.000 2.382 626 S HA -0.162 4.307 4.470 -0.001 0.000 0.228 626 S C 2.010 176.624 174.600 0.023 0.000 1.027 626 S CA 1.061 59.301 58.200 0.066 0.000 0.991 626 S CB -0.490 62.757 63.200 0.079 0.000 0.823 626 S HN 0.505 nan 8.310 nan 0.000 0.469 627 Q N 0.344 120.148 119.800 0.006 0.000 2.096 627 Q HA -0.071 4.268 4.340 -0.001 0.000 0.204 627 Q C 2.122 178.089 176.000 -0.055 0.000 0.982 627 Q CA 1.050 56.832 55.803 -0.035 0.000 0.850 627 Q CB -0.318 28.386 28.738 -0.057 0.000 0.901 627 Q HN 0.493 nan 8.270 nan 0.000 0.422 628 I N 0.475 121.020 120.570 -0.041 0.000 2.361 628 I HA -0.169 4.000 4.170 -0.001 0.000 0.251 628 I C 1.621 177.726 176.117 -0.020 0.000 1.133 628 I CA 1.226 62.530 61.300 0.006 0.000 1.413 628 I CB -0.687 37.366 38.000 0.088 0.000 1.073 628 I HN 0.090 nan 8.210 nan 0.000 0.424 629 S N -0.098 115.516 115.700 -0.144 0.000 2.582 629 S HA 0.094 4.563 4.470 -0.001 0.000 0.234 629 S C 0.630 175.049 174.600 -0.302 0.000 0.961 629 S CA -0.438 57.469 58.200 -0.487 0.000 0.953 629 S CB -0.676 62.377 63.200 -0.246 0.000 0.800 629 S HN 0.534 nan 8.310 nan 0.000 0.471 630 N N 1.278 119.888 118.700 -0.151 0.000 2.669 630 N HA -0.234 4.505 4.740 -0.001 0.000 0.266 630 N C -0.350 175.119 175.510 -0.068 0.000 1.024 630 N CA 0.220 53.220 53.050 -0.083 0.000 0.766 630 N CB -0.967 37.490 38.487 -0.050 0.000 0.898 630 N HN 0.688 nan 8.380 nan 0.000 0.548 631 A N 1.083 123.892 122.820 -0.019 0.000 2.413 631 A HA 0.633 4.952 4.320 -0.001 0.000 0.307 631 A C 0.395 178.036 177.584 0.095 0.000 1.087 631 A CA -0.113 51.950 52.037 0.043 0.000 0.750 631 A CB 1.190 20.240 19.000 0.082 0.000 1.296 631 A HN 0.461 nan 8.150 nan 0.000 0.423 632 T N 0.102 114.757 114.554 0.169 0.000 2.926 632 T HA 0.265 4.614 4.350 -0.001 0.000 0.307 632 T C 0.087 174.902 174.700 0.191 0.000 1.059 632 T CA -0.228 61.988 62.100 0.194 0.000 1.122 632 T CB -0.386 68.658 68.868 0.293 0.000 0.972 632 T HN 0.583 nan 8.240 nan 0.000 0.545 633 N N 1.811 120.607 118.700 0.159 0.000 2.497 633 N HA 0.453 5.193 4.740 -0.001 0.000 0.268 633 N C 1.487 177.108 175.510 0.186 0.000 1.171 633 N CA 0.405 53.544 53.050 0.149 0.000 0.948 633 N CB 0.368 38.928 38.487 0.121 0.000 1.069 633 N HN 1.049 nan 8.380 nan 0.000 0.460 634 G N 2.467 111.367 108.800 0.167 0.000 2.698 634 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.346 634 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.346 634 G C 0.697 175.741 174.900 0.241 0.000 1.287 634 G CA 1.172 46.372 45.100 0.165 0.000 0.990 634 G HN 0.828 nan 8.290 nan 0.000 0.545 635 I N -1.635 119.075 120.570 0.234 0.000 3.941 635 I HA 0.479 4.648 4.170 -0.001 0.000 0.335 635 I C -0.035 176.398 176.117 0.525 0.000 1.402 635 I CA -0.221 61.286 61.300 0.344 0.000 1.112 635 I CB 0.441 38.476 38.000 0.057 0.000 1.043 635 I HN 0.068 nan 8.210 nan 0.000 0.395 636 E N 3.734 124.151 120.200 0.363 0.000 2.313 636 E HA 0.391 4.740 4.350 -0.001 0.000 0.272 636 E C -2.393 174.320 176.600 0.189 0.000 1.038 636 E CA -2.182 54.362 56.400 0.239 0.000 0.863 636 E CB 0.577 30.342 29.700 0.110 0.000 1.060 636 E HN 0.080 nan 8.360 nan 0.000 0.402 637 P HA 0.171 nan 4.420 nan 0.000 0.271 637 P C -2.442 174.807 177.300 -0.086 0.000 1.216 637 P CA -1.317 61.716 63.100 -0.111 0.000 0.776 637 P CB -0.388 31.006 31.700 -0.509 0.000 0.881 638 P HA 0.162 nan 4.420 nan 0.000 0.269 638 P C 0.805 178.008 177.300 -0.162 0.000 1.217 638 P CA 0.048 63.100 63.100 -0.079 0.000 0.783 638 P CB 0.752 32.377 31.700 -0.126 0.000 0.898 639 R N 0.255 120.671 120.500 -0.139 0.000 2.210 639 R HA 0.263 4.602 4.340 -0.001 0.000 0.203 639 R C 1.114 177.348 176.300 -0.111 0.000 1.010 639 R CA 0.754 56.774 56.100 -0.133 0.000 1.008 639 R CB 0.094 30.369 30.300 -0.041 0.000 0.923 639 R HN 0.695 nan 8.270 nan 0.000 0.469 640 G N -2.389 106.311 108.800 -0.166 0.000 2.550 640 G HA2 0.147 4.107 3.960 -0.001 0.000 0.293 640 G HA3 0.147 4.107 3.960 -0.001 0.000 0.293 640 G C -0.772 173.951 174.900 -0.296 0.000 1.402 640 G CA -0.732 44.215 45.100 -0.254 0.000 0.784 640 G HN -0.059 nan 8.290 nan 0.000 0.482 641 Y N -0.730 119.546 120.300 -0.040 0.000 2.263 641 Y HA 0.208 4.757 4.550 -0.001 0.000 0.292 641 Y C 1.540 177.360 175.900 -0.134 0.000 1.130 641 Y CA 0.632 58.678 58.100 -0.090 0.000 1.179 641 Y CB -0.036 38.390 38.460 -0.056 0.000 0.998 641 Y HN 0.156 nan 8.280 nan 0.000 0.532 642 V N -0.459 119.468 119.914 0.021 0.000 2.495 642 V HA 0.334 4.453 4.120 -0.001 0.000 0.298 642 V C -0.113 175.970 176.094 -0.018 0.000 1.031 642 V CA -1.184 61.103 62.300 -0.022 0.000 0.871 642 V CB 1.744 33.544 31.823 -0.038 0.000 0.988 642 V HN -0.062 nan 8.190 nan 0.000 0.432 643 S N 4.201 119.890 115.700 -0.019 0.000 2.499 643 S HA 0.714 5.183 4.470 -0.001 0.000 0.279 643 S C -0.479 174.118 174.600 -0.004 0.000 1.219 643 S CA -0.299 57.894 58.200 -0.010 0.000 1.062 643 S CB 0.373 63.567 63.200 -0.010 0.000 0.978 643 S HN 0.494 nan 8.310 nan 0.000 0.489 644 I N 4.390 124.961 120.570 0.002 0.000 2.404 644 I HA 0.476 4.645 4.170 -0.001 0.000 0.293 644 I C -0.093 176.028 176.117 0.007 0.000 0.992 644 I CA -0.225 61.078 61.300 0.005 0.000 1.149 644 I CB 1.685 39.688 38.000 0.005 0.000 1.315 644 I HN 0.423 nan 8.210 nan 0.000 0.446 645 K N 3.948 124.353 120.400 0.008 0.000 2.426 645 K HA 0.844 5.163 4.320 -0.001 0.000 0.251 645 K C -1.056 175.550 176.600 0.009 0.000 0.941 645 K CA -0.755 55.535 56.287 0.006 0.000 0.808 645 K CB 2.312 34.810 32.500 -0.004 0.000 1.265 645 K HN 0.624 nan 8.250 nan 0.000 0.432 646 A N 1.091 123.917 122.820 0.009 0.000 2.304 646 A HA 0.654 4.974 4.320 -0.001 0.000 0.301 646 A C -0.472 177.117 177.584 0.008 0.000 1.132 646 A CA -0.178 51.866 52.037 0.011 0.000 0.819 646 A CB 1.171 20.178 19.000 0.012 0.000 1.094 646 A HN 0.525 nan 8.150 nan 0.000 0.492 647 S N -0.035 115.673 115.700 0.013 0.000 2.638 647 S HA 0.420 4.889 4.470 -0.001 0.000 0.274 647 S C 0.757 175.368 174.600 0.019 0.000 1.157 647 S CA -0.106 58.100 58.200 0.010 0.000 0.826 647 S CB 1.132 64.335 63.200 0.005 0.000 1.139 647 S HN 0.734 nan 8.310 nan 0.000 0.474 648 K N 0.876 121.286 120.400 0.018 0.000 2.103 648 K HA 0.023 4.342 4.320 -0.001 0.000 0.204 648 K C 0.674 177.294 176.600 0.033 0.000 1.052 648 K CA 1.415 57.715 56.287 0.023 0.000 0.945 648 K CB -0.321 32.191 32.500 0.020 0.000 0.722 648 K HN 0.531 nan 8.250 nan 0.000 0.443 649 D N 0.959 121.384 120.400 0.042 0.000 2.234 649 D HA 0.028 4.667 4.640 -0.001 0.000 0.205 649 D C 1.090 177.429 176.300 0.066 0.000 0.962 649 D CA 1.248 55.285 54.000 0.062 0.000 0.855 649 D CB 0.473 41.325 40.800 0.087 0.000 0.951 649 D HN 0.453 nan 8.370 nan 0.000 0.500 650 G N 0.260 109.096 108.800 0.060 0.000 2.351 650 G HA2 0.162 4.121 3.960 -0.001 0.000 0.279 650 G HA3 0.162 4.121 3.960 -0.001 0.000 0.279 650 G C -1.499 173.433 174.900 0.054 0.000 1.297 650 G CA -0.973 44.160 45.100 0.054 0.000 0.886 650 G HN 0.029 nan 8.290 nan 0.000 0.493 651 I N 1.234 121.831 120.570 0.046 0.000 2.396 651 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 651 I C 0.085 176.245 176.117 0.071 0.000 1.056 651 I CA -0.221 61.103 61.300 0.040 0.000 1.365 651 I CB 0.916 38.927 38.000 0.018 0.000 1.407 651 I HN 0.189 nan 8.210 nan 0.000 0.509 652 L N 7.720 128.981 121.223 0.062 0.000 2.265 652 L HA 0.434 4.773 4.340 -0.001 0.000 0.288 652 L C 0.145 177.047 176.870 0.054 0.000 1.058 652 L CA -0.278 54.612 54.840 0.083 0.000 0.809 652 L CB 0.620 42.686 42.059 0.012 0.000 1.179 652 L HN 0.569 nan 8.230 nan 0.000 0.429 653 R N 3.045 123.590 120.500 0.074 0.000 2.637 653 R HA 0.523 4.862 4.340 -0.001 0.000 0.291 653 R C -0.950 175.362 176.300 0.019 0.000 0.963 653 R CA -0.654 55.462 56.100 0.027 0.000 0.901 653 R CB 2.280 32.582 30.300 0.004 0.000 1.160 653 R HN 0.498 nan 8.270 nan 0.000 0.457 654 Q N 2.219 122.012 119.800 -0.010 0.000 2.274 654 Q HA 0.338 4.677 4.340 -0.001 0.000 0.268 654 Q C -1.508 174.470 176.000 -0.037 0.000 1.015 654 Q CA -0.676 55.109 55.803 -0.030 0.000 0.775 654 Q CB 2.240 30.959 28.738 -0.032 0.000 1.256 654 Q HN 0.384 nan 8.270 nan 0.000 0.442 655 V N 3.848 123.734 119.914 -0.047 0.000 2.481 655 V HA 0.313 4.432 4.120 -0.001 0.000 0.286 655 V C 0.508 176.605 176.094 0.004 0.000 1.042 655 V CA -0.841 61.434 62.300 -0.041 0.000 0.928 655 V CB 1.055 32.841 31.823 -0.061 0.000 0.986 655 V HN 0.683 nan 8.190 nan 0.000 0.462 656 V N 3.398 123.324 119.914 0.020 0.000 2.928 656 V HA 0.147 4.266 4.120 -0.001 0.000 0.307 656 V C -1.911 174.257 176.094 0.123 0.000 1.105 656 V CA -1.321 60.993 62.300 0.024 0.000 1.223 656 V CB -0.644 31.085 31.823 -0.157 0.000 0.930 656 V HN 0.793 nan 8.190 nan 0.000 0.499 657 P HA 0.022 nan 4.420 nan 0.000 0.262 657 P C 0.131 177.500 177.300 0.114 0.000 1.182 657 P CA 0.701 63.744 63.100 -0.096 0.000 0.761 657 P CB 0.103 31.382 31.700 -0.702 0.000 0.795 658 D N 1.721 122.221 120.400 0.167 0.000 2.686 658 D HA -0.273 4.366 4.640 -0.001 0.000 0.235 658 D C 0.381 176.918 176.300 0.396 0.000 1.160 658 D CA 0.627 54.788 54.000 0.269 0.000 0.645 658 D CB -1.538 39.424 40.800 0.270 0.000 1.039 658 D HN 0.512 nan 8.370 nan 0.000 0.423 659 Y N 0.348 120.825 120.300 0.295 0.000 2.181 659 Y HA -0.161 4.388 4.550 -0.001 0.000 0.288 659 Y C 2.198 178.286 175.900 0.315 0.000 1.146 659 Y CA 2.483 60.769 58.100 0.311 0.000 1.164 659 Y CB -0.217 38.348 38.460 0.175 0.000 0.982 659 Y HN 0.308 nan 8.280 nan 0.000 0.515 660 E N -0.618 119.786 120.200 0.340 0.000 2.095 660 E HA -0.336 4.013 4.350 -0.001 0.000 0.212 660 E C 1.880 178.544 176.600 0.106 0.000 1.044 660 E CA 2.324 58.866 56.400 0.236 0.000 0.857 660 E CB -0.376 29.517 29.700 0.321 0.000 0.764 660 E HN 0.717 nan 8.360 nan 0.000 0.462 661 H N -1.797 117.275 119.070 0.003 0.000 2.595 661 H HA 0.114 4.669 4.556 -0.002 0.000 0.265 661 H C 1.279 176.488 175.328 -0.198 0.000 0.953 661 H CA 0.461 56.454 56.048 -0.092 0.000 1.197 661 H CB 0.646 30.380 29.762 -0.047 0.000 1.438 661 H HN 0.177 nan 8.280 nan 0.000 0.531 662 L N 1.209 122.428 121.223 -0.008 0.000 2.906 662 L HA 0.044 4.384 4.340 -0.001 0.000 0.255 662 L C 2.199 179.051 176.870 -0.031 0.000 1.166 662 L CA -0.148 54.645 54.840 -0.077 0.000 0.977 662 L CB -0.020 42.019 42.059 -0.034 0.000 1.313 662 L HN 0.346 nan 8.230 nan 0.000 0.549 663 H N -0.665 118.334 119.070 -0.119 0.000 2.321 663 H HA -0.215 4.340 4.556 -0.001 0.000 0.295 663 H C 0.560 175.937 175.328 0.082 0.000 1.102 663 H CA 1.851 57.771 56.048 -0.213 0.000 1.266 663 H CB -0.353 28.844 29.762 -0.941 0.000 1.363 663 H HN 0.335 nan 8.280 nan 0.000 0.492 664 D N 1.126 121.424 120.400 -0.170 0.000 2.348 664 D HA 0.084 4.723 4.640 -0.001 0.000 0.216 664 D C 2.207 178.532 176.300 0.041 0.000 0.970 664 D CA 0.931 54.943 54.000 0.019 0.000 0.889 664 D CB -0.047 40.712 40.800 -0.068 0.000 0.912 664 D HN 0.586 nan 8.370 nan 0.000 0.524 665 A N 0.112 122.923 122.820 -0.015 0.000 1.930 665 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 665 A C 0.727 178.321 177.584 0.017 0.000 1.176 665 A CA 0.281 52.285 52.037 -0.055 0.000 0.632 665 A CB -0.493 18.399 19.000 -0.180 0.000 0.819 665 A HN 0.074 nan 8.150 nan 0.000 0.445 666 Y N 0.181 120.573 120.300 0.152 0.000 2.607 666 Y HA 0.205 4.755 4.550 -0.001 0.000 0.348 666 Y C 0.819 176.824 175.900 0.174 0.000 1.261 666 Y CA 0.986 59.207 58.100 0.202 0.000 1.480 666 Y CB 0.337 38.978 38.460 0.302 0.000 1.358 666 Y HN 0.419 nan 8.280 nan 0.000 0.630 667 E N 2.946 123.367 120.200 0.367 0.000 2.331 667 E HA 0.341 4.690 4.350 -0.001 0.000 0.243 667 E C -1.524 175.166 176.600 0.150 0.000 0.925 667 E CA -0.386 56.161 56.400 0.244 0.000 0.760 667 E CB 0.253 30.110 29.700 0.262 0.000 1.254 667 E HN 0.568 nan 8.360 nan 0.000 0.419 668 L N 4.294 125.549 121.223 0.054 0.000 2.467 668 L HA 0.037 4.376 4.340 -0.001 0.000 0.270 668 L C 1.709 178.492 176.870 -0.145 0.000 1.205 668 L CA -0.392 54.398 54.840 -0.083 0.000 0.828 668 L CB 0.225 42.191 42.059 -0.156 0.000 1.101 668 L HN 0.708 nan 8.230 nan 0.000 0.479 669 L N 2.180 123.224 121.223 -0.298 0.000 2.010 669 L HA -0.225 4.115 4.340 -0.001 0.000 0.219 669 L C 1.697 178.244 176.870 -0.539 0.000 1.077 669 L CA 2.147 56.657 54.840 -0.551 0.000 0.773 669 L CB -0.513 41.050 42.059 -0.827 0.000 0.892 669 L HN 0.578 nan 8.230 nan 0.000 0.436 670 W N -0.305 120.957 121.300 -0.064 0.000 3.077 670 W HA 0.059 4.719 4.660 -0.000 0.000 0.245 670 W C 2.080 178.588 176.519 -0.019 0.000 1.316 670 W CA 0.051 57.373 57.345 -0.037 0.000 1.537 670 W CB -0.069 29.377 29.460 -0.023 0.000 1.131 670 W HN 0.278 nan 8.180 nan 0.000 0.695 671 E N 0.258 120.533 120.200 0.125 0.000 2.250 671 E HA -0.009 4.340 4.350 -0.001 0.000 0.192 671 E C 0.961 177.612 176.600 0.085 0.000 0.986 671 E CA 0.309 56.774 56.400 0.107 0.000 0.849 671 E CB -0.052 29.703 29.700 0.090 0.000 0.797 671 E HN 0.265 nan 8.360 nan 0.000 0.482 672 M N 2.018 121.644 119.600 0.043 0.000 2.248 672 M HA 0.029 4.508 4.480 -0.001 0.000 0.345 672 M C -1.736 174.603 176.300 0.065 0.000 1.243 672 M CA -1.109 54.216 55.300 0.041 0.000 1.090 672 M CB -0.013 32.577 32.600 -0.016 0.000 1.683 672 M HN -0.190 nan 8.290 nan 0.000 0.450 673 P HA 0.121 nan 4.420 nan 0.000 0.231 673 P C 0.407 177.743 177.300 0.061 0.000 1.168 673 P CA 0.597 63.729 63.100 0.055 0.000 0.779 673 P CB 0.392 32.121 31.700 0.047 0.000 0.844 674 G N -1.074 107.765 108.800 0.064 0.000 2.490 674 G HA2 0.121 4.080 3.960 -0.001 0.000 0.308 674 G HA3 0.121 4.080 3.960 -0.001 0.000 0.308 674 G C -0.374 174.548 174.900 0.036 0.000 1.286 674 G CA -0.370 44.773 45.100 0.071 0.000 0.825 674 G HN -0.206 nan 8.290 nan 0.000 0.479 675 N N 0.137 118.869 118.700 0.052 0.000 2.282 675 N HA 0.058 4.798 4.740 -0.001 0.000 0.185 675 N C 1.023 176.640 175.510 0.179 0.000 1.099 675 N CA 0.295 53.392 53.050 0.077 0.000 0.878 675 N CB 0.610 39.124 38.487 0.045 0.000 0.993 675 N HN 0.517 nan 8.380 nan 0.000 0.481 676 D N 1.258 121.757 120.400 0.164 0.000 2.106 676 D HA -0.152 4.487 4.640 -0.001 0.000 0.191 676 D C 1.932 178.322 176.300 0.149 0.000 0.997 676 D CA 1.502 55.604 54.000 0.171 0.000 0.834 676 D CB -0.255 40.636 40.800 0.153 0.000 0.956 676 D HN 0.250 nan 8.370 nan 0.000 0.448 677 G N 0.409 109.298 108.800 0.149 0.000 2.514 677 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.217 677 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.217 677 G C 1.571 176.585 174.900 0.190 0.000 1.198 677 G CA 1.147 46.335 45.100 0.146 0.000 0.780 677 G HN 0.341 nan 8.290 nan 0.000 0.565 678 Y N 1.142 121.524 120.300 0.137 0.000 2.181 678 Y HA -0.039 4.511 4.550 -0.001 0.000 0.288 678 Y C 2.627 178.592 175.900 0.108 0.000 1.146 678 Y CA 1.511 59.717 58.100 0.177 0.000 1.164 678 Y CB -0.251 38.280 38.460 0.118 0.000 0.982 678 Y HN 0.120 nan 8.280 nan 0.000 0.515 679 L N 0.092 121.435 121.223 0.200 0.000 2.083 679 L HA -0.277 4.063 4.340 -0.001 0.000 0.209 679 L C 2.548 179.390 176.870 -0.048 0.000 1.083 679 L CA 1.607 56.500 54.840 0.088 0.000 0.752 679 L CB -0.636 41.559 42.059 0.227 0.000 0.899 679 L HN 0.357 nan 8.230 nan 0.000 0.433 680 Q N -0.233 119.500 119.800 -0.111 0.000 2.124 680 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 680 Q C 2.382 178.233 176.000 -0.249 0.000 0.977 680 Q CA 1.238 56.842 55.803 -0.332 0.000 0.850 680 Q CB -0.081 28.443 28.738 -0.357 0.000 0.901 680 Q HN 0.545 nan 8.270 nan 0.000 0.429 681 L N -0.165 120.959 121.223 -0.165 0.000 2.141 681 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 681 L C 2.299 179.001 176.870 -0.280 0.000 1.094 681 L CA 0.612 55.362 54.840 -0.150 0.000 0.763 681 L CB -0.312 41.731 42.059 -0.025 0.000 0.908 681 L HN 0.111 nan 8.230 nan 0.000 0.437 682 V N 0.137 119.841 119.914 -0.351 0.000 2.358 682 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 682 V C 2.635 178.579 176.094 -0.251 0.000 1.047 682 V CA 1.950 64.037 62.300 -0.355 0.000 1.035 682 V CB -1.081 30.529 31.823 -0.355 0.000 0.658 682 V HN 0.557 nan 8.190 nan 0.000 0.452 683 G N -0.117 108.571 108.800 -0.187 0.000 2.446 683 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 683 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 683 G C 1.593 176.373 174.900 -0.201 0.000 1.168 683 G CA 1.131 46.146 45.100 -0.142 0.000 0.771 683 G HN 0.486 nan 8.290 nan 0.000 0.551 684 I N 0.354 120.792 120.570 -0.220 0.000 2.286 684 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 684 I C 2.943 178.927 176.117 -0.222 0.000 1.115 684 I CA 1.041 62.227 61.300 -0.190 0.000 1.392 684 I CB -0.123 37.822 38.000 -0.092 0.000 1.065 684 I HN 0.189 nan 8.210 nan 0.000 0.418 685 M N -0.577 118.808 119.600 -0.358 0.000 2.175 685 M HA -0.231 4.248 4.480 -0.001 0.000 0.264 685 M C 2.265 178.398 176.300 -0.278 0.000 1.063 685 M CA 1.503 56.461 55.300 -0.570 0.000 1.119 685 M CB -0.321 31.718 32.600 -0.935 0.000 1.377 685 M HN 0.118 nan 8.290 nan 0.000 0.415 686 Q N 0.970 120.642 119.800 -0.214 0.000 2.437 686 Q HA -0.130 4.209 4.340 -0.001 0.000 0.210 686 Q C 1.659 177.654 176.000 -0.008 0.000 0.972 686 Q CA 1.370 57.121 55.803 -0.087 0.000 0.903 686 Q CB -0.190 28.507 28.738 -0.068 0.000 0.967 686 Q HN 0.387 nan 8.270 nan 0.000 0.486 687 K N -0.962 119.302 120.400 -0.226 0.000 2.032 687 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 687 K C 0.843 177.226 176.600 -0.363 0.000 1.048 687 K CA 1.720 57.724 56.287 -0.472 0.000 0.927 687 K CB -0.157 31.724 32.500 -1.031 0.000 0.712 687 K HN 0.259 nan 8.250 nan 0.000 0.441 688 F N 0.428 120.364 119.950 -0.022 0.000 2.746 688 F HA 0.268 4.794 4.527 -0.002 0.000 0.297 688 F C 0.442 176.296 175.800 0.090 0.000 1.113 688 F CA -0.490 57.536 58.000 0.043 0.000 1.367 688 F CB 0.283 39.332 39.000 0.081 0.000 1.111 688 F HN -0.116 nan 8.300 nan 0.000 0.590 689 I N 1.391 122.072 120.570 0.185 0.000 2.441 689 I HA -0.002 4.167 4.170 -0.001 0.000 0.287 689 I C 0.991 177.135 176.117 0.044 0.000 1.049 689 I CA -0.015 61.361 61.300 0.126 0.000 1.381 689 I CB 0.604 38.636 38.000 0.054 0.000 1.409 689 I HN 0.093 nan 8.210 nan 0.000 0.523 690 D N 4.212 124.655 120.400 0.073 0.000 2.104 690 D HA -0.154 4.486 4.640 -0.001 0.000 0.194 690 D C 1.444 177.737 176.300 -0.011 0.000 0.994 690 D CA 1.630 55.646 54.000 0.027 0.000 0.830 690 D CB 0.467 41.323 40.800 0.094 0.000 0.959 690 D HN 0.605 nan 8.370 nan 0.000 0.452 691 Q N -0.225 119.587 119.800 0.020 0.000 3.050 691 Q HA 0.308 4.647 4.340 -0.001 0.000 0.256 691 Q C 0.582 176.581 176.000 -0.003 0.000 1.161 691 Q CA -0.158 55.656 55.803 0.019 0.000 0.329 691 Q CB 0.290 29.043 28.738 0.025 0.000 5.721 691 Q HN -0.024 nan 8.270 nan 0.000 0.326 692 S N -1.215 114.477 115.700 -0.013 0.000 2.806 692 S HA 0.655 5.124 4.470 -0.001 0.000 0.306 692 S C -1.539 173.033 174.600 -0.048 0.000 1.167 692 S CA -0.718 57.468 58.200 -0.023 0.000 0.847 692 S CB 0.980 64.170 63.200 -0.016 0.000 1.216 692 S HN 0.329 nan 8.310 nan 0.000 0.532 693 I N 1.362 121.897 120.570 -0.058 0.000 2.608 693 I HA 0.354 4.523 4.170 -0.001 0.000 0.295 693 I C -0.254 175.813 176.117 -0.084 0.000 1.049 693 I CA -0.539 60.713 61.300 -0.081 0.000 1.063 693 I CB 2.394 40.331 38.000 -0.105 0.000 1.248 693 I HN 0.456 nan 8.210 nan 0.000 0.424 694 S N 4.692 120.322 115.700 -0.117 0.000 4.183 694 S HA 0.353 4.822 4.470 -0.001 0.000 0.195 694 S C 0.409 175.026 174.600 0.029 0.000 1.421 694 S CA -0.596 57.501 58.200 -0.172 0.000 0.920 694 S CB -0.363 62.635 63.200 -0.337 0.000 1.525 694 S HN 0.634 nan 8.310 nan 0.000 0.447 695 A N 2.975 125.854 122.820 0.099 0.000 2.462 695 A HA 0.284 4.603 4.320 -0.001 0.000 0.243 695 A C 0.537 178.307 177.584 0.309 0.000 1.076 695 A CA -0.271 51.917 52.037 0.251 0.000 0.773 695 A CB 0.223 19.350 19.000 0.212 0.000 1.010 695 A HN 0.688 nan 8.150 nan 0.000 0.493 696 N N -0.487 118.419 118.700 0.343 0.000 2.483 696 N HA 0.637 5.377 4.740 -0.001 0.000 0.285 696 N C -0.699 174.880 175.510 0.115 0.000 1.210 696 N CA -0.318 52.848 53.050 0.193 0.000 0.931 696 N CB 1.831 40.364 38.487 0.075 0.000 1.220 696 N HN 0.767 nan 8.380 nan 0.000 0.542 697 T N -1.292 113.323 114.554 0.102 0.000 2.861 697 T HA 0.455 4.804 4.350 -0.001 0.000 0.287 697 T C -1.032 173.629 174.700 -0.065 0.000 1.003 697 T CA -1.045 61.076 62.100 0.034 0.000 0.977 697 T CB 1.219 70.225 68.868 0.230 0.000 0.996 697 T HN 0.385 nan 8.240 nan 0.000 0.448 698 N N 2.029 120.543 118.700 -0.310 0.000 2.296 698 N HA 0.412 5.151 4.740 -0.001 0.000 0.294 698 N C -1.760 173.586 175.510 -0.275 0.000 1.033 698 N CA -0.587 52.352 53.050 -0.185 0.000 0.839 698 N CB 2.329 40.588 38.487 -0.379 0.000 1.395 698 N HN 0.598 nan 8.380 nan 0.000 0.479 699 Y N -0.240 120.309 120.300 0.414 0.000 2.442 699 Y HA 0.248 4.797 4.550 -0.001 0.000 0.344 699 Y C -0.515 175.582 175.900 0.328 0.000 0.976 699 Y CA -0.916 57.405 58.100 0.369 0.000 1.040 699 Y CB 1.992 40.556 38.460 0.174 0.000 1.228 699 Y HN 0.401 nan 8.280 nan 0.000 0.451 700 D N 4.352 125.035 120.400 0.471 0.000 2.425 700 D HA 0.347 4.986 4.640 -0.001 0.000 0.240 700 D C -2.148 174.344 176.300 0.319 0.000 1.080 700 D CA -2.670 51.417 54.000 0.144 0.000 0.836 700 D CB 2.354 43.171 40.800 0.029 0.000 1.125 700 D HN 0.139 nan 8.370 nan 0.000 0.525 701 P HA -0.156 nan 4.420 nan 0.000 0.216 701 P C 1.236 178.671 177.300 0.226 0.000 1.153 701 P CA 1.199 64.417 63.100 0.197 0.000 0.858 701 P CB 0.035 31.764 31.700 0.049 0.000 0.789 702 S N -1.118 114.638 115.700 0.094 0.000 2.595 702 S HA -0.040 4.429 4.470 -0.001 0.000 0.235 702 S C 1.662 176.276 174.600 0.024 0.000 0.974 702 S CA 0.409 58.637 58.200 0.047 0.000 0.942 702 S CB -0.805 62.389 63.200 -0.011 0.000 0.766 702 S HN 0.103 nan 8.310 nan 0.000 0.536 703 R N -0.392 120.114 120.500 0.010 0.000 2.334 703 R HA 0.335 4.674 4.340 -0.001 0.000 0.216 703 R C -0.929 175.080 176.300 -0.485 0.000 0.905 703 R CA 0.093 56.051 56.100 -0.236 0.000 1.064 703 R CB 0.148 30.237 30.300 -0.352 0.000 1.046 703 R HN 0.434 nan 8.270 nan 0.000 0.508 704 F N 0.824 120.801 119.950 0.045 0.000 2.532 704 F HA 0.376 4.902 4.527 -0.001 0.000 0.321 704 F C -2.032 173.785 175.800 0.027 0.000 1.089 704 F CA -3.285 54.741 58.000 0.043 0.000 0.926 704 F CB 1.194 40.223 39.000 0.049 0.000 1.168 704 F HN -0.238 nan 8.300 nan 0.000 0.459 705 P HA 0.051 nan 4.420 nan 0.000 0.260 705 P C 0.116 177.480 177.300 0.107 0.000 1.185 705 P CA 0.691 63.860 63.100 0.116 0.000 0.763 705 P CB 0.634 32.391 31.700 0.096 0.000 0.776 706 S N 1.964 117.708 115.700 0.074 0.000 3.228 706 S HA -0.151 4.318 4.470 -0.001 0.000 0.282 706 S C 1.157 175.791 174.600 0.056 0.000 1.286 706 S CA 1.073 59.305 58.200 0.053 0.000 1.066 706 S CB -2.136 61.089 63.200 0.042 0.000 1.277 706 S HN 1.089 nan 8.310 nan 0.000 0.661 707 G N 1.104 109.956 108.800 0.086 0.000 2.249 707 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.273 707 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.273 707 G C -0.357 174.577 174.900 0.058 0.000 1.036 707 G CA 0.872 46.023 45.100 0.085 0.000 0.824 707 G HN 1.023 nan 8.290 nan 0.000 0.504 708 K N -0.563 119.869 120.400 0.052 0.000 2.463 708 K HA 0.655 4.974 4.320 -0.001 0.000 0.255 708 K C -0.185 176.313 176.600 -0.171 0.000 0.942 708 K CA -1.233 55.030 56.287 -0.041 0.000 0.814 708 K CB 2.876 35.358 32.500 -0.030 0.000 1.122 708 K HN 0.060 nan 8.250 nan 0.000 0.425 709 V N 3.781 123.490 119.914 -0.340 0.000 2.450 709 V HA 0.093 4.212 4.120 -0.001 0.000 0.281 709 V C -1.657 174.176 176.094 -0.436 0.000 1.019 709 V CA -1.247 60.640 62.300 -0.689 0.000 1.062 709 V CB -0.487 30.959 31.823 -0.629 0.000 0.979 709 V HN 0.765 nan 8.190 nan 0.000 0.477 710 P HA 0.105 nan 4.420 nan 0.000 0.268 710 P C 0.576 177.778 177.300 -0.165 0.000 1.204 710 P CA -0.424 62.574 63.100 -0.170 0.000 0.768 710 P CB 0.788 32.460 31.700 -0.047 0.000 0.842 711 M N 2.997 122.538 119.600 -0.099 0.000 2.108 711 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 711 M C 2.079 178.360 176.300 -0.032 0.000 1.066 711 M CA 1.922 57.182 55.300 -0.067 0.000 1.107 711 M CB -1.115 31.468 32.600 -0.027 0.000 1.356 711 M HN 0.349 nan 8.290 nan 0.000 0.406 712 Q N -0.058 119.737 119.800 -0.009 0.000 2.029 712 Q HA -0.299 4.040 4.340 -0.001 0.000 0.209 712 Q C 2.160 178.184 176.000 0.040 0.000 0.999 712 Q CA 2.732 58.548 55.803 0.022 0.000 0.857 712 Q CB -0.544 28.216 28.738 0.038 0.000 0.926 712 Q HN 0.645 nan 8.270 nan 0.000 0.415 713 Q N -0.354 119.471 119.800 0.041 0.000 2.096 713 Q HA -0.109 4.230 4.340 -0.001 0.000 0.204 713 Q C 1.963 178.016 176.000 0.087 0.000 0.982 713 Q CA 1.754 57.620 55.803 0.105 0.000 0.850 713 Q CB -0.361 28.470 28.738 0.156 0.000 0.901 713 Q HN 0.561 nan 8.270 nan 0.000 0.422 714 L N -0.557 120.631 121.223 -0.059 0.000 2.046 714 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 714 L C 2.321 179.244 176.870 0.089 0.000 1.077 714 L CA 1.033 55.841 54.840 -0.052 0.000 0.747 714 L CB -0.506 41.462 42.059 -0.152 0.000 0.896 714 L HN 0.279 nan 8.230 nan 0.000 0.432 715 L N -0.279 120.988 121.223 0.072 0.000 2.109 715 L HA -0.189 4.151 4.340 -0.001 0.000 0.207 715 L C 2.671 179.594 176.870 0.088 0.000 1.086 715 L CA 0.959 55.851 54.840 0.087 0.000 0.760 715 L CB -0.435 41.644 42.059 0.034 0.000 0.910 715 L HN 0.214 nan 8.230 nan 0.000 0.437 716 K N 0.766 121.220 120.400 0.090 0.000 2.032 716 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 716 K C 1.597 178.277 176.600 0.134 0.000 1.048 716 K CA 1.961 58.306 56.287 0.097 0.000 0.927 716 K CB -0.194 32.373 32.500 0.112 0.000 0.712 716 K HN 0.139 nan 8.250 nan 0.000 0.441 717 D N 0.130 120.648 120.400 0.197 0.000 2.178 717 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 717 D C 1.796 178.228 176.300 0.220 0.000 0.980 717 D CA 0.867 55.010 54.000 0.238 0.000 0.842 717 D CB -0.230 40.776 40.800 0.344 0.000 0.948 717 D HN 0.182 nan 8.370 nan 0.000 0.472 718 L N 0.521 121.874 121.223 0.218 0.000 1.989 718 L HA -0.140 4.199 4.340 -0.001 0.000 0.211 718 L C 2.140 179.093 176.870 0.139 0.000 1.071 718 L CA 1.483 56.467 54.840 0.240 0.000 0.749 718 L CB -0.545 41.700 42.059 0.310 0.000 0.890 718 L HN 0.018 nan 8.230 nan 0.000 0.431 719 L N -1.476 119.780 121.223 0.054 0.000 2.046 719 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 719 L C 2.369 179.217 176.870 -0.037 0.000 1.077 719 L CA 1.753 56.546 54.840 -0.079 0.000 0.747 719 L CB -1.313 40.701 42.059 -0.075 0.000 0.896 719 L HN 0.272 nan 8.230 nan 0.000 0.432 720 T N 0.165 114.737 114.554 0.029 0.000 2.635 720 T HA -0.272 4.077 4.350 -0.001 0.000 0.267 720 T C 2.061 176.809 174.700 0.079 0.000 1.040 720 T CA 1.648 63.769 62.100 0.035 0.000 1.156 720 T CB -0.388 68.579 68.868 0.166 0.000 0.863 720 T HN 0.475 nan 8.240 nan 0.000 0.430 721 A N 0.466 123.385 122.820 0.164 0.000 1.892 721 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 721 A C 2.112 179.780 177.584 0.141 0.000 1.188 721 A CA 2.108 54.260 52.037 0.191 0.000 0.631 721 A CB -1.204 17.926 19.000 0.217 0.000 0.822 721 A HN 0.641 nan 8.150 nan 0.000 0.447 722 Y N 0.454 120.724 120.300 -0.050 0.000 2.181 722 Y HA -0.219 4.330 4.550 -0.001 0.000 0.288 722 Y C 2.405 178.301 175.900 -0.007 0.000 1.146 722 Y CA 2.391 60.444 58.100 -0.079 0.000 1.164 722 Y CB -0.218 37.917 38.460 -0.541 0.000 0.982 722 Y HN 0.351 nan 8.280 nan 0.000 0.515 723 K N -0.590 119.745 120.400 -0.109 0.000 2.103 723 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 723 K C 0.841 177.172 176.600 -0.448 0.000 1.048 723 K CA 1.677 57.763 56.287 -0.336 0.000 0.930 723 K CB -0.411 31.750 32.500 -0.566 0.000 0.716 723 K HN 0.298 nan 8.250 nan 0.000 0.444 724 F N 0.456 120.350 119.950 -0.094 0.000 2.663 724 F HA 0.281 4.807 4.527 -0.002 0.000 0.299 724 F C 1.173 176.836 175.800 -0.228 0.000 1.143 724 F CA 0.223 58.144 58.000 -0.133 0.000 1.387 724 F CB 0.409 39.364 39.000 -0.076 0.000 1.019 724 F HN 0.274 nan 8.300 nan 0.000 0.523 725 G N 0.366 109.005 108.800 -0.268 0.000 2.160 725 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.251 725 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.251 725 G C 0.083 174.854 174.900 -0.215 0.000 1.008 725 G CA 0.080 44.839 45.100 -0.570 0.000 0.724 725 G HN 0.162 nan 8.290 nan 0.000 0.514 726 V N 0.261 120.179 119.914 0.006 0.000 2.521 726 V HA 0.164 4.283 4.120 -0.001 0.000 0.286 726 V C 1.692 177.895 176.094 0.182 0.000 1.034 726 V CA 1.041 63.392 62.300 0.085 0.000 1.045 726 V CB 1.279 33.171 31.823 0.115 0.000 0.974 726 V HN 0.473 nan 8.190 nan 0.000 0.480 727 K N 2.334 122.815 120.400 0.135 0.000 2.044 727 K HA 0.033 4.352 4.320 -0.001 0.000 0.204 727 K C 0.816 177.516 176.600 0.166 0.000 1.049 727 K CA 1.258 57.645 56.287 0.166 0.000 0.945 727 K CB 0.064 32.630 32.500 0.110 0.000 0.724 727 K HN 0.882 nan 8.250 nan 0.000 0.440 728 T N -1.728 112.910 114.554 0.139 0.000 2.864 728 T HA 0.651 5.001 4.350 -0.001 0.000 0.289 728 T C -0.781 174.023 174.700 0.172 0.000 1.082 728 T CA -1.019 61.178 62.100 0.161 0.000 1.009 728 T CB 1.569 70.507 68.868 0.117 0.000 1.234 728 T HN -0.085 nan 8.240 nan 0.000 0.526 729 L N 1.406 122.754 121.223 0.208 0.000 2.438 729 L HA 0.503 4.842 4.340 -0.001 0.000 0.270 729 L C -0.901 176.118 176.870 0.247 0.000 0.972 729 L CA -1.041 53.941 54.840 0.236 0.000 0.831 729 L CB 1.906 44.132 42.059 0.278 0.000 1.273 729 L HN 0.678 nan 8.230 nan 0.000 0.405 730 Y N 2.414 122.705 120.300 -0.013 0.000 2.780 730 Y HA 0.335 4.885 4.550 -0.000 0.000 0.449 730 Y C 0.368 176.361 175.900 0.155 0.000 1.395 730 Y CA -0.647 57.298 58.100 -0.258 0.000 1.864 730 Y CB 0.254 38.467 38.460 -0.412 0.000 1.728 730 Y HN 0.271 nan 8.280 nan 0.000 0.686 731 Y N 1.507 121.706 120.300 -0.169 0.000 2.914 731 Y HA -0.016 4.533 4.550 -0.000 0.000 0.348 731 Y C 0.633 176.602 175.900 0.116 0.000 1.278 731 Y CA 0.333 58.405 58.100 -0.046 0.000 1.491 731 Y CB -0.219 38.149 38.460 -0.153 0.000 1.334 731 Y HN 0.280 nan 8.280 nan 0.000 0.650 732 Q N 3.026 123.009 119.800 0.305 0.000 2.327 732 Q HA 0.293 4.633 4.340 -0.001 0.000 0.270 732 Q C -1.433 174.690 176.000 0.204 0.000 1.022 732 Q CA -0.814 55.145 55.803 0.260 0.000 0.773 732 Q CB 0.661 29.560 28.738 0.269 0.000 1.251 732 Q HN 0.651 nan 8.270 nan 0.000 0.457 733 N N 2.795 121.618 118.700 0.205 0.000 2.434 733 N HA 0.297 5.036 4.740 -0.001 0.000 0.272 733 N C -1.028 174.697 175.510 0.359 0.000 1.040 733 N CA -0.063 53.119 53.050 0.220 0.000 0.956 733 N CB 1.823 40.424 38.487 0.190 0.000 1.108 733 N HN 0.459 nan 8.380 nan 0.000 0.481 734 T N 1.354 116.068 114.554 0.266 0.000 2.855 734 T HA 0.311 4.660 4.350 -0.001 0.000 0.281 734 T C 0.579 175.321 174.700 0.070 0.000 1.007 734 T CA -0.641 61.585 62.100 0.209 0.000 1.009 734 T CB 1.873 70.807 68.868 0.110 0.000 0.983 734 T HN 0.247 nan 8.240 nan 0.000 0.455 735 R N 1.459 121.833 120.500 -0.210 0.000 2.594 735 R HA 0.153 4.493 4.340 -0.001 0.000 0.272 735 R C -0.179 175.974 176.300 -0.245 0.000 1.074 735 R CA -0.269 55.536 56.100 -0.492 0.000 1.105 735 R CB 0.362 30.001 30.300 -1.102 0.000 1.008 735 R HN 0.639 nan 8.270 nan 0.000 0.472 736 D N 2.471 122.752 120.400 -0.198 0.000 2.781 736 D HA 0.313 4.952 4.640 -0.001 0.000 0.254 736 D C -0.539 175.685 176.300 -0.127 0.000 1.213 736 D CA -0.147 53.786 54.000 -0.112 0.000 0.994 736 D CB 0.416 41.183 40.800 -0.056 0.000 1.019 736 D HN 0.626 nan 8.370 nan 0.000 0.514 737 G N 0.000 108.711 108.800 -0.148 0.000 5.446 737 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 737 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 737 G CA 0.000 45.024 45.100 -0.126 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925