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_A 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 -0.013 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 0.575 4.916 4.340 0.001 0.000 0.272 6 L C -0.364 176.449 176.870 -0.095 0.000 1.124 6 L CA -0.635 54.175 54.840 -0.050 0.000 0.816 6 L CB 1.626 43.671 42.059 -0.024 0.000 1.129 6 L HN 0.243 nan 8.230 nan 0.000 0.448 7 V N 1.710 121.561 119.914 -0.104 0.000 2.495 7 V HA 0.362 4.482 4.120 0.001 0.000 0.298 7 V C 0.078 176.110 176.094 -0.104 0.000 1.031 7 V CA -0.551 61.662 62.300 -0.145 0.000 0.871 7 V CB 2.066 33.788 31.823 -0.170 0.000 0.988 7 V HN 0.762 nan 8.190 nan 0.000 0.432 8 T N 5.161 119.649 114.554 -0.109 0.000 2.867 8 T HA 0.470 4.821 4.350 0.001 0.000 0.282 8 T C -0.060 174.593 174.700 -0.078 0.000 1.000 8 T CA -0.629 61.428 62.100 -0.072 0.000 1.042 8 T CB 1.247 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 1.267 121.635 120.400 -0.054 0.000 2.393 9 K HA 0.460 4.780 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 1.103 121.586 120.500 -0.028 0.000 2.105 10 R HA -0.136 4.205 4.340 0.001 0.000 0.239 10 R C 1.388 177.681 176.300 -0.012 0.000 1.135 10 R CA 1.453 57.543 56.100 -0.017 0.000 0.967 10 R CB -0.314 29.978 30.300 -0.013 0.000 0.861 10 R HN 0.680 nan 8.270 nan 0.000 0.442 11 D N -0.353 120.040 120.400 -0.011 0.000 2.347 11 D HA -0.033 4.608 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 0.920 54.915 54.000 -0.008 0.000 0.879 11 D CB 0.336 41.132 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 3.767 3.960 0.001 0.000 0.216 12 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 12 G C -0.199 174.695 174.900 -0.012 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 5.243 4.470 0.001 0.000 0.301 13 S C 0.156 174.742 174.600 -0.022 0.000 1.096 13 S CA -0.169 58.022 58.200 -0.015 0.000 1.063 13 S CB 1.959 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 0.756 115.298 114.554 -0.020 0.000 2.780 14 T HA 0.537 4.887 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 -0.680 61.405 62.100 -0.025 0.000 1.074 14 T CB 0.873 69.731 68.868 -0.017 0.000 0.910 14 T HN 0.735 nan 8.240 nan 0.000 0.501 15 E N 1.766 121.944 120.200 -0.035 0.000 2.378 15 E HA 0.486 4.836 4.350 0.001 0.000 0.265 15 E C -0.616 175.960 176.600 -0.040 0.000 0.932 15 E CA -1.167 55.213 56.400 -0.033 0.000 0.795 15 E CB 1.872 31.552 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 0.280 4.620 4.340 0.001 0.000 0.281 16 R C 0.137 176.408 176.300 -0.048 0.000 1.050 16 R CA -0.566 55.513 56.100 -0.035 0.000 1.055 16 R CB 0.631 30.918 30.300 -0.022 0.000 1.045 16 R HN 0.462 nan 8.270 nan 0.000 0.495 17 I N 2.503 123.037 120.570 -0.060 0.000 2.815 17 I HA -0.113 4.058 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 0.740 61.993 61.300 -0.079 0.000 1.431 17 I CB 0.390 38.334 38.000 -0.093 0.000 1.351 17 I HN 0.615 nan 8.210 nan 0.000 0.585 18 N N 7.612 126.286 118.700 -0.043 0.000 2.746 18 N HA 0.209 4.950 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 52.686 53.050 -0.009 0.000 0.828 18 N CB 0.614 39.102 38.487 0.001 0.000 1.158 18 N HN 0.578 nan 8.380 nan 0.000 0.519 19 L N 0.498 121.733 121.223 0.020 0.000 2.191 19 L HA -0.097 4.243 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 0.949 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 0.004 120.451 120.400 0.080 0.000 2.149 20 D HA -0.136 4.504 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 0.808 121.255 120.400 0.079 0.000 2.026 21 K HA -0.085 4.235 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 0.519 56.844 56.287 0.063 0.000 0.929 21 K CB -0.193 32.338 32.500 0.051 0.000 0.713 21 K HN 0.196 nan 8.250 nan 0.000 0.439 22 I N 0.349 120.987 120.570 0.113 0.000 2.118 22 I HA -0.348 3.822 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 4.347 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 1.940 58.027 56.048 0.064 0.000 1.293 23 H CB 0.012 29.813 29.762 0.065 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 -0.126 4.214 4.340 0.001 0.000 0.236 24 R C 2.488 178.754 176.300 -0.058 0.000 1.137 24 R CA 1.674 57.781 56.100 0.012 0.000 0.943 24 R CB -0.520 29.789 30.300 0.015 0.000 0.846 24 R HN 0.235 nan 8.270 nan 0.000 0.431 25 V N 0.770 120.613 119.914 -0.119 0.000 2.343 25 V HA -0.248 3.873 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 1.776 63.951 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 0.108 121.282 121.223 -0.082 0.000 2.012 26 L HA -0.212 4.128 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 -0.276 4.365 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 1.283 55.186 54.000 -0.162 0.000 0.828 27 D CB -0.211 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 1.783 122.973 121.300 -0.183 0.000 2.301 28 W HA -0.273 4.387 4.660 0.001 0.000 0.325 28 W C 2.373 178.816 176.519 -0.127 0.000 1.250 28 W CA 3.138 60.386 57.345 -0.162 0.000 1.261 28 W CB -0.942 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 -0.117 4.203 4.320 0.001 0.000 0.220 29 A C 2.109 179.451 177.584 -0.404 0.000 1.177 29 A CA 2.914 54.578 52.037 -0.622 0.000 0.636 29 A CB -1.600 17.271 19.000 -0.214 0.000 0.815 29 A HN 0.636 nan 8.150 nan 0.000 0.449 30 A N -0.689 121.972 122.820 -0.265 0.000 2.066 30 A HA 0.117 4.438 4.320 0.001 0.000 0.218 30 A C 0.999 178.440 177.584 -0.239 0.000 1.157 30 A CA 0.805 52.709 52.037 -0.221 0.000 0.670 30 A CB -0.303 18.591 19.000 -0.176 0.000 0.804 30 A HN 0.456 nan 8.150 nan 0.000 0.453 31 E N -0.272 119.776 120.200 -0.254 0.000 2.820 31 E HA 0.233 4.583 4.350 0.001 0.000 0.251 31 E C 1.290 177.753 176.600 -0.230 0.000 0.944 31 E CA 1.245 57.514 56.400 -0.217 0.000 0.955 31 E CB -0.487 29.090 29.700 -0.206 0.000 0.904 31 E HN 0.822 nan 8.360 nan 0.000 0.513 32 G N 3.144 111.807 108.800 -0.228 0.000 2.205 32 G HA2 -0.290 3.671 3.960 0.001 0.000 0.261 32 G HA3 -0.290 3.671 3.960 0.001 0.000 0.261 32 G C 0.177 174.831 174.900 -0.409 0.000 0.980 32 G CA 0.349 45.291 45.100 -0.264 0.000 0.632 32 G HN 0.451 nan 8.290 nan 0.000 0.533 33 L N 0.158 121.153 121.223 -0.380 0.000 2.399 33 L HA 0.725 5.065 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 -1.090 53.538 54.840 -0.353 0.000 0.804 33 L CB 0.897 42.835 42.059 -0.202 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 4.889 4.556 0.001 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 30.933 29.762 -0.013 0.000 1.558 34 H HN 0.591 nan 8.280 nan 0.000 0.515 35 N N -0.579 118.137 118.700 0.027 0.000 2.782 35 N HA -0.172 4.569 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 1.035 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 -2.608 117.132 119.914 -0.290 0.000 2.435 36 V HA 0.775 4.895 4.120 0.001 0.000 0.290 36 V C 0.464 176.444 176.094 -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 33.445 31.823 -0.755 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 -0.006 0.000 2.420 37 S HA 0.487 4.958 4.470 0.001 0.000 0.313 37 S C 0.846 175.481 174.600 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 3.985 4.170 0.001 0.000 0.245 38 I C 2.510 178.631 176.117 0.007 0.000 1.100 38 I CA 1.321 62.615 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 -0.284 4.186 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 1.073 59.272 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 1.452 121.250 119.800 -0.004 0.000 2.045 40 Q HA -0.082 4.258 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 1.840 57.634 55.803 -0.015 0.000 0.851 40 Q CB -1.179 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 0.862 120.763 119.914 -0.021 0.000 2.332 41 V HA -0.270 3.850 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 64.539 62.300 -0.049 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 -0.037 120.063 120.200 -0.167 0.000 2.072 42 E HA -0.168 4.182 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 57.270 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 4.125 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 0.080 nan 8.230 nan 0.000 0.431 44 R N -0.381 120.034 120.500 -0.142 0.000 2.120 44 R HA -0.118 4.222 4.340 0.001 0.000 0.234 44 R C 2.362 178.578 176.300 -0.140 0.000 1.123 44 R CA 1.680 57.708 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 -0.974 114.614 115.700 -0.186 0.000 2.475 45 S HA 0.018 4.489 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 0.078 58.133 58.200 -0.242 0.000 0.935 45 S CB -0.318 62.839 63.200 -0.071 0.000 0.801 45 S HN 0.430 nan 8.310 nan 0.000 0.509 46 H N 0.625 119.225 119.070 -0.784 0.000 2.387 46 H HA 0.055 4.611 4.556 0.001 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 -0.385 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 3.946 4.170 0.001 0.000 0.257 47 I C 1.406 177.497 176.117 -0.043 0.000 1.184 47 I CA 1.434 62.683 61.300 -0.085 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 4.465 4.340 0.001 0.000 0.201 48 Q C -0.183 175.987 176.000 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 0.093 0.000 1.081 48 Q HN 0.205 nan 8.270 nan 0.000 0.502 49 F N 1.241 121.228 119.950 0.062 0.000 2.406 49 F HA 0.298 4.825 4.527 0.001 0.000 0.327 49 F C 0.192 176.019 175.800 0.045 0.000 1.153 49 F CA -1.585 56.382 58.000 -0.055 0.000 1.218 49 F CB 0.110 39.042 39.000 -0.113 0.000 1.215 49 F HN -0.007 nan 8.300 nan 0.000 0.570 50 Y N -2.258 118.144 120.300 0.170 0.000 2.624 50 Y HA 0.406 4.957 4.550 0.001 0.000 0.334 50 Y C -1.092 174.826 175.900 0.030 0.000 1.155 50 Y CA -2.028 56.121 58.100 0.081 0.000 1.046 50 Y CB 0.165 38.662 38.460 0.061 0.000 1.316 50 Y HN 0.340 nan 8.280 nan 0.000 0.457 51 D N 1.563 122.090 120.400 0.211 0.000 2.531 51 D HA 0.349 4.989 4.640 0.001 0.000 0.239 51 D C 1.135 177.516 176.300 0.135 0.000 1.144 51 D CA 2.782 56.849 54.000 0.111 0.000 0.869 51 D CB 0.609 41.472 40.800 0.105 0.000 1.160 51 D HN 1.206 nan 8.370 nan 0.000 0.484 52 G N 3.180 111.982 108.800 0.003 0.000 2.160 52 G HA2 -0.286 3.674 3.960 0.001 0.000 0.244 52 G HA3 -0.286 3.674 3.960 0.001 0.000 0.244 52 G C 0.515 175.381 174.900 -0.057 0.000 1.022 52 G CA 0.029 45.130 45.100 0.002 0.000 0.741 52 G HN 0.618 nan 8.290 nan 0.000 0.508 53 I N 1.166 121.553 120.570 -0.305 0.000 2.496 53 I HA 0.382 4.553 4.170 0.001 0.000 0.285 53 I C 1.126 177.069 176.117 -0.290 0.000 1.080 53 I CA -0.880 60.122 61.300 -0.496 0.000 1.404 53 I CB 0.280 37.695 38.000 -0.975 0.000 1.403 53 I HN 0.265 nan 8.210 nan 0.000 0.539 54 K N 4.692 124.987 120.400 -0.176 0.000 2.380 54 K HA 0.106 4.427 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 4.152 4.350 0.001 0.000 0.267 55 T C 2.158 176.602 174.700 -0.425 0.000 1.039 55 T CA 1.918 63.828 62.100 -0.316 0.000 1.142 55 T CB -0.303 68.412 68.868 -0.254 0.000 0.866 55 T HN 0.821 nan 8.240 nan 0.000 0.444 56 S N 2.020 117.576 115.700 -0.241 0.000 2.370 56 S HA -0.196 4.275 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 59.567 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 1.564 121.891 120.400 -0.120 0.000 2.178 57 D HA 0.090 4.730 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 0.842 54.799 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 0.126 120.581 120.570 -0.192 0.000 2.252 58 I HA -0.259 3.912 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 1.119 62.322 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 0.487 119.521 119.070 -0.059 0.000 2.319 59 H HA -0.150 4.407 4.556 0.001 0.000 0.299 59 H C 2.198 177.457 175.328 -0.116 0.000 1.092 59 H CA 1.051 57.047 56.048 -0.087 0.000 1.302 59 H CB 0.122 29.732 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 4.220 4.350 0.001 0.000 0.193 60 E C 2.281 178.918 176.600 0.062 0.000 0.989 60 E CA 1.415 57.813 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 2.659 117.278 114.554 0.107 0.000 2.684 61 T HA -0.153 4.197 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 1.686 63.872 62.100 0.143 0.000 1.148 61 T CB -0.426 68.608 68.868 0.277 0.000 0.863 61 T HN 0.371 nan 8.240 nan 0.000 0.436 62 I N -0.375 120.293 120.570 0.162 0.000 2.252 62 I HA -0.058 4.112 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 1.395 62.764 61.300 0.115 0.000 1.385 62 I CB -0.725 37.375 38.000 0.167 0.000 1.064 62 I HN 0.140 nan 8.210 nan 0.000 0.414 63 I N 1.700 122.296 120.570 0.044 0.000 2.091 63 I HA -0.331 3.839 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 2.160 63.454 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 1.179 121.548 120.400 -0.053 0.000 2.063 64 K HA -0.228 4.093 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 1.648 57.888 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 1.022 123.790 122.820 -0.086 0.000 1.884 65 A HA -0.238 4.082 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 0.085 4.405 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 2.745 54.682 52.037 -0.167 0.000 0.622 66 A CB -1.339 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 -0.089 122.492 122.820 -0.399 0.000 1.927 67 A HA -0.267 4.053 4.320 0.001 0.000 0.220 67 A C 1.675 179.099 177.584 -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 -0.490 119.770 120.400 -0.232 0.000 2.350 68 D HA -0.015 4.625 4.640 0.001 0.000 0.216 68 D C 1.484 177.632 176.300 -0.253 0.000 0.968 68 D CA 0.654 54.543 54.000 -0.186 0.000 0.894 68 D CB -0.127 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 0.206 121.172 121.223 -0.427 0.000 2.567 69 L HA 0.185 4.525 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 0.156 41.425 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 -0.108 4.063 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 0.737 62.013 61.300 -0.041 0.000 1.436 70 I CB 0.191 38.174 38.000 -0.028 0.000 1.348 70 I HN 0.283 nan 8.210 nan 0.000 0.570 71 S N 5.206 120.901 115.700 -0.008 0.000 2.636 71 S HA 0.427 4.897 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 -1.187 56.978 58.200 -0.058 0.000 0.815 71 S CB 1.512 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 0.896 121.248 120.500 -0.245 0.000 2.075 72 R HA -0.023 4.317 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 1.603 57.343 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 0.977 121.323 120.400 -0.091 0.000 2.312 73 D HA -0.009 4.631 4.640 0.001 0.000 0.211 73 D C 0.299 176.642 176.300 0.073 0.000 0.964 73 D CA 1.014 55.032 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 4.631 4.320 0.001 0.000 0.300 74 A C -2.045 175.626 177.584 0.144 0.000 1.099 74 A CA -0.838 51.277 52.037 0.131 0.000 0.846 74 A CB 1.028 20.166 19.000 0.231 0.000 1.255 74 A HN -0.173 nan 8.150 nan 0.000 0.519 75 P HA -0.056 nan 4.420 nan 0.000 0.229 75 P C 0.307 177.668 177.300 0.101 0.000 1.160 75 P CA 0.999 64.151 63.100 0.087 0.000 0.777 75 P CB 0.342 32.111 31.700 0.117 0.000 0.814 76 D N -1.551 118.918 120.400 0.115 0.000 2.371 76 D HA -0.092 4.549 4.640 0.001 0.000 0.221 76 D C 1.503 177.819 176.300 0.025 0.000 0.986 76 D CA 0.597 54.691 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 1.131 121.436 120.300 0.008 0.000 2.274 77 Y HA -0.145 4.405 4.550 0.001 0.000 0.290 77 Y C 2.347 178.190 175.900 -0.096 0.000 1.145 77 Y CA 0.959 59.031 58.100 -0.047 0.000 1.203 77 Y CB -0.247 38.172 38.460 -0.070 0.000 0.984 77 Y HN 0.053 nan 8.280 nan 0.000 0.533 78 Q N -1.137 118.657 119.800 -0.011 0.000 2.096 78 Q HA -0.277 4.064 4.340 0.001 0.000 0.208 78 Q C 1.828 177.686 176.000 -0.236 0.000 0.993 78 Q CA 2.343 58.031 55.803 -0.192 0.000 0.862 78 Q CB -0.444 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 -0.413 119.936 120.300 0.081 0.000 2.286 79 Y HA -0.146 4.405 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 -0.458 38.005 38.460 0.004 0.000 1.010 79 Y HN 0.123 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 4.156 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 2.068 56.930 54.840 0.037 0.000 0.748 80 L CB -1.093 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 -0.520 122.321 122.820 0.035 0.000 1.877 81 A HA -0.132 4.188 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 2.088 54.091 52.037 -0.057 0.000 0.620 81 A CB -1.336 17.393 19.000 -0.452 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 4.059 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 1.928 54.167 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 -0.614 120.025 120.500 0.232 0.000 2.083 83 R HA -0.111 4.229 4.340 0.001 0.000 0.237 83 R C 2.180 178.702 176.300 0.370 0.000 1.137 83 R CA 1.559 57.780 56.100 0.202 0.000 0.951 83 R CB -0.758 29.454 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 4.086 4.340 0.001 0.000 0.213 84 L C 2.834 179.937 176.870 0.388 0.000 1.072 84 L CA 1.578 56.607 54.840 0.314 0.000 0.755 84 L CB -0.740 41.416 42.059 0.162 0.000 0.889 84 L HN 0.280 nan 8.230 nan 0.000 0.432 85 A N 0.200 123.227 122.820 0.345 0.000 1.873 85 A HA -0.232 4.089 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 1.835 54.084 52.037 0.353 0.000 0.629 85 A CB -0.670 18.538 19.000 0.347 0.000 0.826 85 A HN 0.301 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 3.926 4.170 0.001 0.000 0.241 86 I C 2.356 178.703 176.117 0.383 0.000 1.070 86 I CA 1.640 63.148 61.300 0.347 0.000 1.327 86 I CB -1.554 36.702 38.000 0.426 0.000 1.034 86 I HN 0.468 nan 8.210 nan 0.000 0.405 87 F N 1.684 121.904 119.950 0.451 0.000 2.063 87 F HA -0.352 4.175 4.527 0.001 0.000 0.298 87 F C 2.897 178.821 175.800 0.207 0.000 1.109 87 F CA 2.549 60.803 58.000 0.424 0.000 1.212 87 F CB -0.721 38.499 39.000 0.368 0.000 0.973 87 F HN 0.222 nan 8.300 nan 0.000 0.480 88 H N 0.007 119.180 119.070 0.172 0.000 2.352 88 H HA -0.152 4.405 4.556 0.001 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 -0.408 120.741 121.223 -0.123 0.000 2.093 89 L HA -0.128 4.213 4.340 0.001 0.000 0.208 89 L C 2.764 179.453 176.870 -0.302 0.000 1.085 89 L CA 0.845 55.543 54.840 -0.236 0.000 0.755 89 L CB -0.283 41.716 42.059 -0.101 0.000 0.904 89 L HN 0.234 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 4.152 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 -0.531 29.558 30.300 -0.352 0.000 0.846 90 R HN 0.297 nan 8.270 nan 0.000 0.431 91 K N 0.743 120.950 120.400 -0.322 0.000 2.057 91 K HA -0.110 4.211 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 1.156 57.302 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 4.178 4.320 0.001 0.000 0.206 92 K C 1.763 178.193 176.600 -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 4.336 4.320 0.001 0.000 0.209 93 A C 1.127 178.511 177.584 -0.333 0.000 1.214 93 A CA 0.399 52.150 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 -0.989 119.279 120.300 -0.054 0.000 2.444 94 Y HA 0.402 4.952 4.550 0.001 0.000 0.249 94 Y C 1.775 177.646 175.900 -0.048 0.000 1.134 94 Y CA -0.434 57.643 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 0.889 109.708 108.800 0.033 0.000 2.148 95 G HA2 -0.231 3.729 3.960 0.001 0.000 0.254 95 G HA3 -0.231 3.729 3.960 0.001 0.000 0.254 95 G C -0.046 174.858 174.900 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 -3.058 116.742 119.800 -0.001 0.000 2.756 96 Q HA 0.633 4.973 4.340 0.001 0.000 0.295 96 Q C 0.416 176.392 176.000 -0.039 0.000 0.903 96 Q CA -0.750 55.048 55.803 -0.009 0.000 0.768 96 Q CB 0.170 28.922 28.738 0.023 0.000 1.472 96 Q HN 0.455 nan 8.270 nan 0.000 0.416 97 F N 0.988 120.819 119.950 -0.197 0.000 2.163 97 F HA 0.090 4.617 4.527 0.001 0.000 0.297 97 F C 0.590 176.322 175.800 -0.114 0.000 1.094 97 F CA 1.184 59.043 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 3.234 123.400 120.200 -0.056 0.000 2.299 98 E HA 0.108 4.458 4.350 0.001 0.000 0.272 98 E C -2.234 174.182 176.600 -0.306 0.000 1.043 98 E CA -1.891 54.402 56.400 -0.178 0.000 0.895 98 E CB 0.248 29.930 29.700 -0.030 0.000 1.011 98 E HN 0.107 nan 8.360 nan 0.000 0.432 99 P HA 0.106 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 -1.145 61.385 63.100 -0.949 0.000 0.780 99 P CB -0.221 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 -0.557 176.751 177.300 0.015 0.000 1.260 100 P CA -0.298 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 0.631 123.465 122.820 0.023 0.000 2.462 101 A HA 0.069 4.390 4.320 0.001 0.000 0.243 101 A C 1.418 179.014 177.584 0.021 0.000 1.076 101 A CA -0.417 51.662 52.037 0.070 0.000 0.773 101 A CB -0.626 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 2.754 124.002 121.223 0.042 0.000 1.997 102 L HA -0.250 4.091 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 2.793 57.540 54.840 -0.156 0.000 0.763 102 L CB -1.083 40.999 42.059 0.038 0.000 0.890 102 L HN 0.878 nan 8.230 nan 0.000 0.434 103 Y N 0.652 120.829 120.300 -0.205 0.000 2.128 103 Y HA -0.294 4.257 4.550 0.001 0.000 0.284 103 Y C 2.403 178.129 175.900 -0.290 0.000 1.154 103 Y CA 2.217 60.118 58.100 -0.331 0.000 1.149 103 Y CB -0.532 37.836 38.460 -0.154 0.000 0.976 103 Y HN 0.404 nan 8.280 nan 0.000 0.505 104 D N -1.344 118.945 120.400 -0.185 0.000 2.104 104 D HA -0.249 4.391 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 1.972 55.836 54.000 -0.228 0.000 0.830 104 D CB -0.736 40.019 40.800 -0.074 0.000 0.959 104 D HN 0.512 nan 8.370 nan 0.000 0.452 105 H N 1.291 120.161 119.070 -0.333 0.000 2.265 105 H HA -0.128 4.428 4.556 0.001 0.000 0.295 105 H C 2.111 177.214 175.328 -0.374 0.000 1.084 105 H CA 2.010 57.850 56.048 -0.346 0.000 1.261 105 H CB -0.435 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 -0.183 119.441 119.914 -0.484 0.000 2.287 106 V HA -0.284 3.836 4.120 0.001 0.000 0.248 106 V C 2.743 178.542 176.094 -0.492 0.000 1.053 106 V CA 1.678 63.712 62.300 -0.443 0.000 1.027 106 V CB -0.810 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 3.763 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 -0.626 119.545 120.400 -0.382 0.000 2.026 108 K HA -0.197 4.123 4.320 0.001 0.000 0.208 108 K C 2.218 178.574 176.600 -0.407 0.000 1.048 108 K CA 1.690 57.779 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 4.361 4.480 0.001 0.000 0.263 109 M C 2.238 178.270 176.300 -0.447 0.000 1.063 109 M CA 1.074 55.941 55.300 -0.722 0.000 1.110 109 M CB -0.613 31.134 32.600 -1.421 0.000 1.374 109 M HN 0.035 nan 8.290 nan 0.000 0.411 110 V N 0.084 119.819 119.914 -0.298 0.000 2.427 110 V HA -0.228 3.893 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 1.710 63.916 62.300 -0.155 0.000 1.048 110 V CB -0.743 31.010 31.823 -0.116 0.000 0.666 110 V HN 0.445 nan 8.190 nan 0.000 0.456 111 E N -0.488 119.598 120.200 -0.189 0.000 2.150 111 E HA -0.130 4.220 4.350 0.001 0.000 0.193 111 E C 2.084 178.589 176.600 -0.160 0.000 0.985 111 E CA 1.063 57.370 56.400 -0.155 0.000 0.814 111 E CB -0.089 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 -1.307 118.160 119.600 -0.221 0.000 2.561 112 M HA 0.132 4.612 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 55.817 55.300 -0.235 0.000 1.046 112 M CB 0.801 33.176 32.600 -0.375 0.000 1.532 112 M HN 0.249 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 3.729 3.960 0.001 0.000 0.244 113 G HA3 -0.232 3.729 3.960 0.001 0.000 0.244 113 G C 0.871 175.720 174.900 -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 4.545 4.320 0.001 0.000 0.195 114 K C 0.190 176.853 176.600 0.106 0.000 1.045 114 K CA 0.480 56.703 56.287 -0.107 0.000 1.004 114 K CB 0.482 32.788 32.500 -0.323 0.000 0.837 114 K HN 0.419 nan 8.250 nan 0.000 0.510 115 Y N 0.988 121.230 120.300 -0.096 0.000 2.485 115 Y HA 0.221 4.772 4.550 0.001 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 -0.071 0.000 1.059 115 Y CB 0.847 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 0.091 0.000 2.423 116 D HA -0.089 4.551 4.640 0.001 0.000 0.238 116 D C 0.755 177.045 176.300 -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 4.537 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 1.215 54.289 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 0.585 119.728 119.070 0.122 0.000 2.422 118 H HA 0.035 4.592 4.556 0.001 0.000 0.298 118 H C 1.865 177.311 175.328 0.197 0.000 1.098 118 H CA 1.137 57.269 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 -0.126 121.019 121.223 -0.130 0.000 2.021 119 L HA -0.226 4.114 4.340 0.001 0.000 0.215 119 L C 2.579 179.719 176.870 0.450 0.000 1.074 119 L CA 1.728 56.679 54.840 0.185 0.000 0.760 119 L CB -0.451 41.664 42.059 0.094 0.000 0.889 119 L HN 0.343 nan 8.230 nan 0.000 0.433 120 L N -1.006 120.396 121.223 0.298 0.000 2.217 120 L HA -0.162 4.178 4.340 0.001 0.000 0.211 120 L C 2.417 179.463 176.870 0.293 0.000 1.107 120 L CA 0.972 56.008 54.840 0.327 0.000 0.783 120 L CB -0.362 41.784 42.059 0.145 0.000 0.919 120 L HN 0.302 nan 8.230 nan 0.000 0.442 121 E N -0.343 119.995 120.200 0.230 0.000 2.112 121 E HA -0.150 4.200 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 29.806 29.700 0.140 0.000 0.762 121 E HN 0.451 nan 8.360 nan 0.000 0.460 122 D N -0.354 120.150 120.400 0.174 0.000 2.224 122 D HA -0.041 4.599 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 55.022 54.000 -0.013 0.000 0.852 122 D CB 0.323 41.160 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 4.744 4.550 0.001 0.000 0.347 123 Y C 0.834 176.753 175.900 0.031 0.000 0.987 123 Y CA -1.034 57.000 58.100 -0.111 0.000 1.044 123 Y CB 1.705 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 -2.526 112.113 114.554 0.141 0.000 2.847 124 T HA 0.157 4.508 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 70.274 68.868 0.058 0.000 1.040 124 T HN 0.884 nan 8.240 nan 0.000 0.528 125 E N 0.121 120.363 120.200 0.070 0.000 2.150 125 E HA -0.193 4.158 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 1.303 57.555 56.400 -0.246 0.000 0.814 125 E CB -0.091 29.173 29.700 -0.727 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 4.168 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 1.486 57.843 56.400 -0.070 0.000 0.800 126 E CB -0.066 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 -0.382 119.792 120.200 -0.043 0.000 2.110 127 E HA -0.153 4.197 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 0.756 57.102 56.400 -0.090 0.000 0.804 127 E CB -0.155 29.530 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 4.429 4.527 0.001 0.000 0.299 128 F C 2.198 177.933 175.800 -0.109 0.000 1.090 128 F CA 1.008 58.971 58.000 -0.061 0.000 1.307 128 F CB -0.082 38.979 39.000 0.101 0.000 1.019 128 F HN -0.144 nan 8.300 nan 0.000 0.489 129 K N -0.124 120.304 120.400 0.045 0.000 2.057 129 K HA -0.232 4.088 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 1.483 57.745 56.287 -0.041 0.000 0.931 129 K CB -0.397 32.065 32.500 -0.064 0.000 0.714 129 K HN 0.366 nan 8.250 nan 0.000 0.440 130 Q N 0.261 119.933 119.800 -0.214 0.000 2.124 130 Q HA -0.073 4.267 4.340 0.001 0.000 0.202 130 Q C 2.162 177.668 176.000 -0.823 0.000 0.977 130 Q CA 1.296 56.862 55.803 -0.395 0.000 0.850 130 Q CB 0.062 28.623 28.738 -0.295 0.000 0.901 130 Q HN 0.321 nan 8.270 nan 0.000 0.429 131 M N 0.094 119.315 119.600 -0.632 0.000 2.117 131 M HA -0.185 4.296 4.480 0.001 0.000 0.262 131 M C 1.692 177.723 176.300 -0.448 0.000 1.065 131 M CA 1.105 56.014 55.300 -0.652 0.000 1.114 131 M CB -0.225 32.219 32.600 -0.260 0.000 1.361 131 M HN 0.141 nan 8.290 nan 0.000 0.408 132 D N 0.157 120.420 120.400 -0.229 0.000 2.149 132 D HA -0.157 4.484 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 -2.161 112.257 114.554 -0.226 0.000 3.007 133 T HA -0.116 4.234 4.350 0.001 0.000 0.270 133 T C 1.821 176.512 174.700 -0.016 0.000 1.107 133 T CA 0.553 62.572 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 4.981 4.527 0.001 0.000 0.295 134 F C 1.357 177.032 175.800 -0.208 0.000 1.087 134 F CA -1.743 56.169 58.000 -0.147 0.000 1.365 134 F CB -0.848 38.014 39.000 -0.229 0.000 1.056 134 F HN 0.172 nan 8.300 nan 0.000 0.506 135 I N 1.511 121.984 120.570 -0.161 0.000 2.815 135 I HA -0.103 4.067 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 0.603 61.737 61.300 -0.277 0.000 1.431 135 I CB 0.128 37.922 38.000 -0.343 0.000 1.351 135 I HN -0.031 nan 8.210 nan 0.000 0.585 136 D N 5.098 125.520 120.400 0.038 0.000 2.440 136 D HA 0.174 4.815 4.640 0.001 0.000 0.252 136 D C 0.713 177.004 176.300 -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 41.428 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 4.525 4.556 0.001 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 0.393 120.923 120.400 0.216 0.000 2.350 138 D HA -0.068 4.572 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 40.911 40.800 0.164 0.000 0.909 138 D HN 0.356 nan 8.370 nan 0.000 0.520 139 R N 0.542 121.077 120.500 0.059 0.000 2.148 139 R HA -0.078 4.263 4.340 0.001 0.000 0.227 139 R C 1.040 177.323 176.300 -0.029 0.000 1.103 139 R CA 0.693 56.756 56.100 -0.062 0.000 0.983 139 R CB -0.178 30.021 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 4.490 4.640 0.001 0.000 0.204 140 D C 1.411 177.928 176.300 0.362 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 -0.032 119.713 119.600 0.241 0.000 2.686 141 M HA -0.031 4.449 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 -0.293 32.361 32.600 0.090 0.000 1.504 141 M HN 0.008 nan 8.290 nan 0.000 0.524 142 T N -3.373 111.219 114.554 0.063 0.000 3.054 142 T HA 0.235 4.586 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 5.073 4.527 0.001 0.000 0.320 143 F C 1.243 177.229 175.800 0.310 0.000 1.176 143 F CA -0.898 57.281 58.000 0.298 0.000 1.206 143 F CB 0.931 40.076 39.000 0.242 0.000 1.235 143 F HN 0.160 nan 8.300 nan 0.000 0.565 144 S N 0.816 116.715 115.700 0.332 0.000 2.690 144 S HA 0.227 4.697 4.470 0.001 0.000 0.291 144 S C 0.585 175.222 174.600 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 1.843 122.081 120.300 -0.102 0.000 2.081 145 Y HA -0.221 4.330 4.550 0.001 0.000 0.280 145 Y C 2.567 178.439 175.900 -0.047 0.000 1.163 145 Y CA 2.053 60.129 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 0.504 123.251 122.820 -0.122 0.000 1.884 146 A HA -0.260 4.061 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 -0.198 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 4.230 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 2.148 54.084 52.037 -0.170 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 -0.275 119.478 119.914 -0.268 0.000 2.343 148 V HA -0.246 3.874 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 2.415 64.540 62.300 -0.291 0.000 1.036 148 V CB -0.662 31.095 31.823 -0.110 0.000 0.654 148 V HN 0.469 nan 8.190 nan 0.000 0.451 149 K N -0.020 120.150 120.400 -0.383 0.000 2.032 149 K HA -0.179 4.142 4.320 0.001 0.000 0.209 149 K C 2.310 178.758 176.600 -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 31.795 32.500 -0.421 0.000 0.712 149 K HN 0.411 nan 8.250 nan 0.000 0.441 150 Q N 0.138 119.769 119.800 -0.280 0.000 2.050 150 Q HA -0.130 4.210 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 1.286 56.909 55.803 -0.300 0.000 0.840 150 Q CB -0.418 28.103 28.738 -0.361 0.000 0.898 150 Q HN 0.342 nan 8.270 nan 0.000 0.424 151 L N 0.712 121.687 121.223 -0.412 0.000 2.013 151 L HA -0.247 4.093 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 1.781 56.424 54.840 -0.329 0.000 0.753 151 L CB -0.490 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 -0.257 119.857 120.200 -0.143 0.000 2.152 152 E HA -0.155 4.195 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 1.031 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 1.298 110.057 108.800 -0.068 0.000 2.394 153 G HA2 -0.224 3.736 3.960 0.001 0.000 0.215 153 G HA3 -0.224 3.736 3.960 0.001 0.000 0.215 153 G C 1.363 176.273 174.900 0.018 0.000 1.165 153 G CA 1.069 46.149 45.100 -0.034 0.000 0.784 153 G HN 0.357 nan 8.290 nan 0.000 0.535 154 K N -2.300 118.133 120.400 0.055 0.000 2.586 154 K HA 0.383 4.704 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 0.232 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 4.930 4.550 0.001 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 1.348 122.680 121.223 0.181 0.000 2.499 156 L HA 0.075 4.415 4.340 0.001 0.000 0.273 156 L C 0.032 176.988 176.870 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 4.430 124.470 119.914 0.210 0.000 2.557 157 V HA -0.010 4.110 4.120 0.001 0.000 0.301 157 V C 0.391 176.600 176.094 0.192 0.000 1.026 157 V CA 0.383 62.832 62.300 0.248 0.000 1.137 157 V CB 0.369 32.410 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 4.729 4.340 0.001 0.000 0.295 158 Q C -1.077 174.934 176.000 0.019 0.000 0.944 158 Q CA -1.009 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 0.497 nan 8.270 nan 0.000 0.416 159 N N 0.684 119.307 118.700 -0.128 0.000 2.462 159 N HA 0.193 4.934 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 0.048 53.111 53.050 0.021 0.000 0.939 159 N CB 0.877 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 0.014 0.000 2.152 160 R HA -0.051 4.290 4.340 0.001 0.000 0.232 160 R C 1.586 177.888 176.300 0.004 0.000 1.117 160 R CA 1.022 57.126 56.100 0.007 0.000 0.981 160 R CB 0.243 30.555 30.300 0.021 0.000 0.870 160 R HN 0.380 nan 8.270 nan 0.000 0.451 161 V N 0.160 120.080 119.914 0.010 0.000 2.255 161 V HA -0.200 3.920 4.120 0.001 0.000 0.243 161 V C 2.420 178.514 176.094 0.000 0.000 1.038 161 V CA 2.304 64.609 62.300 0.008 0.000 1.008 161 V CB -0.561 31.271 31.823 0.015 0.000 0.645 161 V HN 0.506 nan 8.190 nan 0.000 0.449 162 T N -2.231 112.320 114.554 -0.004 0.000 3.055 162 T HA 0.195 4.546 4.350 0.001 0.000 0.265 162 T C 1.544 176.222 174.700 -0.037 0.000 1.111 162 T CA 0.999 63.091 62.100 -0.014 0.000 1.118 162 T CB 0.269 69.133 68.868 -0.007 0.000 0.909 162 T HN 1.120 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 3.748 3.960 0.001 0.000 0.237 163 G HA3 -0.212 3.748 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 4.878 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 -0.515 55.663 56.400 -0.371 0.000 0.838 164 E CB 1.304 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 3.012 123.299 120.570 -0.473 0.000 2.336 165 I HA 0.049 4.219 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 60.885 61.300 -0.408 0.000 1.227 165 I CB 0.570 38.426 38.000 -0.238 0.000 1.366 165 I HN 0.570 nan 8.210 nan 0.000 0.466 166 Y N 3.668 123.938 120.300 -0.050 0.000 2.458 166 Y HA 0.193 4.744 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 -0.413 57.671 58.100 -0.027 0.000 1.282 166 Y CB 0.040 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 -0.835 119.484 120.200 0.199 0.000 2.456 167 E HA 0.672 5.022 4.350 0.001 0.000 0.276 167 E C -1.018 175.642 176.600 0.101 0.000 0.981 167 E CA -1.116 55.467 56.400 0.305 0.000 0.814 167 E CB 1.875 31.907 29.700 0.554 0.000 1.382 167 E HN -0.077 nan 8.360 nan 0.000 0.459 168 S N -0.522 115.287 115.700 0.180 0.000 2.600 168 S HA 0.650 5.120 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 0.844 nan 8.310 nan 0.000 0.496 169 A N 1.449 124.341 122.820 0.121 0.000 1.894 169 A HA -0.255 4.065 4.320 0.001 0.000 0.220 169 A C 2.144 179.850 177.584 0.203 0.000 1.237 169 A CA 2.180 54.303 52.037 0.143 0.000 0.660 169 A CB -1.290 17.951 19.000 0.402 0.000 0.835 169 A HN 0.783 nan 8.150 nan 0.000 0.461 170 Q N -1.394 118.586 119.800 0.300 0.000 2.181 170 Q HA -0.140 4.200 4.340 0.001 0.000 0.205 170 Q C 1.823 178.029 176.000 0.344 0.000 0.980 170 Q CA 1.243 57.254 55.803 0.347 0.000 0.862 170 Q CB -0.588 28.203 28.738 0.089 0.000 0.905 170 Q HN 0.742 nan 8.270 nan 0.000 0.429 171 F N 0.171 120.273 119.950 0.254 0.000 2.259 171 F HA -0.040 4.487 4.527 0.001 0.000 0.298 171 F C 2.185 178.106 175.800 0.202 0.000 1.088 171 F CA -0.016 58.109 58.000 0.207 0.000 1.358 171 F CB -1.033 38.063 39.000 0.161 0.000 1.040 171 F HN 0.060 nan 8.300 nan 0.000 0.505 172 L N -1.027 120.395 121.223 0.333 0.000 1.970 172 L HA -0.295 4.046 4.340 0.001 0.000 0.212 172 L C 2.452 179.433 176.870 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 -0.346 120.140 120.300 0.309 0.000 2.097 173 Y HA -0.306 4.244 4.550 0.001 0.000 0.282 173 Y C 2.393 178.532 175.900 0.398 0.000 1.152 173 Y CA 1.870 60.168 58.100 0.330 0.000 1.136 173 Y CB -0.783 37.864 38.460 0.312 0.000 0.975 173 Y HN 0.248 nan 8.280 nan 0.000 0.498 174 I N -0.275 120.627 120.570 0.553 0.000 2.226 174 I HA -0.278 3.892 4.170 0.001 0.000 0.245 174 I C 2.022 178.269 176.117 0.217 0.000 1.100 174 I CA 1.543 63.026 61.300 0.305 0.000 1.374 174 I CB -0.464 37.580 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 4.197 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 41.403 42.059 -0.050 0.000 0.914 175 L HN 0.084 nan 8.230 nan 0.000 0.439 176 V N 0.285 120.272 119.914 0.121 0.000 2.287 176 V HA -0.337 3.783 4.120 0.001 0.000 0.248 176 V C 2.802 178.947 176.094 0.086 0.000 1.053 176 V CA 1.961 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 -0.033 122.938 122.820 0.251 0.000 1.883 177 A HA -0.176 4.144 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 2.348 54.547 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 -0.247 4.073 4.320 0.001 0.000 0.218 178 A C 2.378 180.082 177.584 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 -0.772 118.574 119.300 0.077 0.000 2.442 179 C HA -0.071 4.389 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 0.005 0.000 1.722 179 C CB -1.566 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 -0.773 120.236 121.223 -0.355 0.000 2.127 180 L HA -0.147 4.193 4.340 0.001 0.000 0.211 180 L C 1.334 177.826 176.870 -0.630 0.000 1.089 180 L CA 1.704 56.192 54.840 -0.587 0.000 0.757 180 L CB -0.517 41.088 42.059 -0.758 0.000 0.899 180 L HN 0.340 nan 8.230 nan 0.000 0.434 181 F N -1.181 118.600 119.950 -0.281 0.000 2.750 181 F HA 0.091 4.618 4.527 0.001 0.000 0.297 181 F C 2.079 177.854 175.800 -0.042 0.000 1.138 181 F CA 0.037 57.850 58.000 -0.312 0.000 1.346 181 F CB -0.076 38.631 39.000 -0.489 0.000 0.965 181 F HN -0.029 nan 8.300 nan 0.000 0.514 182 S N -0.328 115.440 115.700 0.112 0.000 2.402 182 S HA -0.162 4.308 4.470 0.001 0.000 0.229 182 S C 1.393 175.986 174.600 -0.012 0.000 1.021 182 S CA 1.192 59.418 58.200 0.045 0.000 0.974 182 S CB -0.394 62.845 63.200 0.066 0.000 0.800 182 S HN 0.513 nan 8.310 nan 0.000 0.484 183 N N 0.060 118.796 118.700 0.059 0.000 2.362 183 N HA 0.134 4.874 4.740 0.001 0.000 0.204 183 N C -1.030 174.543 175.510 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 38.608 38.487 0.005 0.000 1.008 183 N HN 0.387 nan 8.380 nan 0.000 0.472 184 Y N 1.697 121.988 120.300 -0.015 0.000 2.301 184 Y HA 0.235 4.785 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 -2.322 55.794 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 0.084 nan 8.280 nan 0.000 0.501 185 P HA 0.009 nan 4.420 nan 0.000 0.266 185 P C 0.217 177.572 177.300 0.091 0.000 1.193 185 P CA 0.042 63.168 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 2.555 123.084 120.500 0.048 0.000 2.152 186 R HA -0.122 4.218 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 1.227 57.357 56.100 0.049 0.000 0.981 186 R CB -0.572 29.739 30.300 0.018 0.000 0.870 186 R HN 0.601 nan 8.270 nan 0.000 0.451 187 E N 0.657 120.889 120.200 0.054 0.000 2.110 187 E HA -0.136 4.215 4.350 0.001 0.000 0.193 187 E C 1.529 178.165 176.600 0.061 0.000 0.988 187 E CA 1.871 58.298 56.400 0.045 0.000 0.804 187 E CB -0.421 29.297 29.700 0.030 0.000 0.745 187 E HN 0.462 nan 8.360 nan 0.000 0.458 188 T N -2.344 112.280 114.554 0.117 0.000 2.985 188 T HA 0.242 4.593 4.350 0.001 0.000 0.254 188 T C 1.770 176.606 174.700 0.228 0.000 1.021 188 T CA 0.044 62.230 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 1.389 122.042 120.500 0.254 0.000 2.132 189 R HA -0.021 4.319 4.340 0.001 0.000 0.233 189 R C 2.159 178.554 176.300 0.160 0.000 1.125 189 R CA 1.921 58.173 56.100 0.254 0.000 0.914 189 R CB -0.842 29.585 30.300 0.212 0.000 0.845 189 R HN 0.388 nan 8.270 nan 0.000 0.431 190 L N 0.462 121.775 121.223 0.149 0.000 2.191 190 L HA -0.179 4.161 4.340 0.001 0.000 0.212 190 L C 2.804 179.692 176.870 0.030 0.000 1.103 190 L CA 1.362 56.300 54.840 0.162 0.000 0.769 190 L CB -0.568 41.630 42.059 0.231 0.000 0.908 190 L HN 0.544 nan 8.230 nan 0.000 0.438 191 Q N -0.316 119.449 119.800 -0.059 0.000 2.050 191 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 191 Q C 2.250 178.048 176.000 -0.337 0.000 0.980 191 Q CA 1.917 57.587 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 -0.156 119.945 120.300 -0.332 0.000 2.181 192 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 192 Y C 2.370 177.851 175.900 -0.699 0.000 1.146 192 Y CA 1.117 58.831 58.100 -0.645 0.000 1.164 192 Y CB -0.507 37.320 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 -0.306 0.000 2.231 193 V HA -0.367 3.753 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 2.311 64.545 62.300 -0.110 0.000 1.015 193 V CB -0.605 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 4.095 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 57.673 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 4.179 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 1.641 57.640 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 0.724 120.588 119.950 -0.143 0.000 2.146 196 F HA -0.254 4.273 4.527 0.001 0.000 0.298 196 F C 2.353 178.142 175.800 -0.018 0.000 1.096 196 F CA 1.351 59.328 58.000 -0.038 0.000 1.275 196 F CB -0.490 38.543 39.000 0.055 0.000 1.008 196 F HN -0.007 nan 8.300 nan 0.000 0.480 197 Y N 1.177 121.489 120.300 0.019 0.000 2.128 197 Y HA -0.264 4.286 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 2.170 60.238 58.100 -0.053 0.000 1.149 197 Y CB -0.886 37.594 38.460 0.033 0.000 0.976 197 Y HN 0.043 nan 8.280 nan 0.000 0.505 198 D N 0.537 120.728 120.400 -0.349 0.000 2.104 198 D HA -0.229 4.411 4.640 0.001 0.000 0.194 198 D C 2.385 178.379 176.300 -0.511 0.000 0.994 198 D CA 1.742 55.459 54.000 -0.472 0.000 0.830 198 D CB -0.846 39.806 40.800 -0.247 0.000 0.959 198 D HN 0.509 nan 8.370 nan 0.000 0.452 199 A N 0.635 123.206 122.820 -0.415 0.000 1.884 199 A HA -0.226 4.095 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 54.868 52.037 -0.399 0.000 0.637 199 A CB -1.008 17.763 19.000 -0.381 0.000 0.827 199 A HN 0.262 nan 8.150 nan 0.000 0.450 200 V N -1.852 117.664 119.914 -0.662 0.000 2.649 200 V HA -0.073 4.048 4.120 0.001 0.000 0.248 200 V C 2.298 177.774 176.094 -1.031 0.000 1.054 200 V CA 2.002 63.907 62.300 -0.659 0.000 1.073 200 V CB -0.975 30.529 31.823 -0.532 0.000 0.699 200 V HN 0.674 nan 8.190 nan 0.000 0.463 201 S N 1.788 116.750 115.700 -1.230 0.000 2.453 201 S HA -0.107 4.363 4.470 0.001 0.000 0.231 201 S C 1.714 175.573 174.600 -1.235 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 -1.748 112.233 114.554 -0.956 0.000 3.258 202 T HA 0.395 4.746 4.350 0.001 0.000 0.263 202 T C 0.043 174.403 174.700 -0.566 0.000 0.983 202 T CA -0.756 60.862 62.100 -0.803 0.000 0.907 202 T CB -1.301 67.289 68.868 -0.463 0.000 1.096 202 T HN 0.212 nan 8.240 nan 0.000 0.556 203 F N 0.462 120.260 119.950 -0.253 0.000 3.100 203 F HA -0.239 4.288 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 58.303 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 -0.028 120.355 120.400 -0.029 0.000 2.186 204 K HA 0.217 4.537 4.320 0.001 0.000 0.202 204 K C 0.898 177.542 176.600 0.073 0.000 1.052 204 K CA 0.885 57.176 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 4.270 4.170 0.001 0.000 0.292 205 I C -0.490 175.646 176.117 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 40.150 38.000 -0.056 0.000 1.289 205 I HN -0.148 nan 8.210 nan 0.000 0.438 206 S N 6.351 122.092 115.700 0.067 0.000 2.462 206 S HA 0.679 5.149 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 64.104 63.200 0.126 0.000 1.009 206 S HN 0.311 nan 8.310 nan 0.000 0.484 207 L N 5.155 126.466 121.223 0.147 0.000 2.334 207 L HA 0.544 4.885 4.340 0.001 0.000 0.273 207 L C -2.066 174.868 176.870 0.108 0.000 1.013 207 L CA -2.337 52.573 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 0.439 177.757 177.300 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 1.786 116.383 114.554 0.073 0.000 2.665 209 T HA -0.101 4.250 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 -2.012 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 1.034 64.198 63.100 0.106 0.000 0.868 210 P CB -0.269 31.528 31.700 0.162 0.000 0.788 211 I N -1.457 119.126 120.570 0.022 0.000 2.179 211 I HA -0.215 3.955 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 1.362 62.592 61.300 -0.116 0.000 1.357 211 I CB -0.619 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 0.397 119.865 119.600 -0.220 0.000 2.267 212 M HA -0.154 4.326 4.480 0.001 0.000 0.263 212 M C 2.392 178.471 176.300 -0.369 0.000 1.063 212 M CA 1.895 56.958 55.300 -0.396 0.000 1.090 212 M CB -0.958 31.048 32.600 -0.990 0.000 1.392 212 M HN 0.386 nan 8.290 nan 0.000 0.422 213 S N -1.962 113.583 115.700 -0.257 0.000 2.502 213 S HA 0.187 4.657 4.470 0.001 0.000 0.215 213 S C 1.786 176.430 174.600 0.074 0.000 1.009 213 S CA 0.371 58.530 58.200 -0.068 0.000 0.908 213 S CB -0.045 63.145 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 4.221 3.960 0.001 0.000 0.207 214 G HA3 0.261 4.221 3.960 0.001 0.000 0.207 214 G C 0.226 175.339 174.900 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 0.159 4.280 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 -0.048 31.613 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 4.220 4.340 0.001 0.000 0.361 216 R C 0.360 176.628 176.300 -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 -1.483 113.145 114.554 0.123 0.000 2.881 217 T HA 0.583 4.933 4.350 0.001 0.000 0.278 217 T C -1.858 172.940 174.700 0.164 0.000 0.982 217 T CA -1.258 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 -0.294 114.272 114.554 0.019 0.000 2.748 219 T HA 0.119 4.470 4.350 0.001 0.000 0.304 219 T C 0.975 175.551 174.700 -0.206 0.000 1.041 219 T CA 0.037 62.075 62.100 -0.104 0.000 1.033 219 T CB 0.201 68.984 68.868 -0.142 0.000 0.995 219 T HN -0.137 nan 8.240 nan 0.000 0.536 220 R N 1.040 121.268 120.500 -0.453 0.000 2.544 220 R HA 0.175 4.515 4.340 0.001 0.000 0.426 220 R C -0.450 175.308 176.300 -0.903 0.000 0.943 220 R CA -0.110 55.621 56.100 -0.614 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 0.458 119.682 119.800 -0.960 0.000 2.456 221 Q HA 0.302 4.643 4.340 0.001 0.000 0.234 221 Q C -0.399 175.175 176.000 -0.711 0.000 1.061 221 Q CA -0.064 55.356 55.803 -0.638 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 -0.904 119.027 119.950 -0.032 0.000 2.729 222 F HA 0.192 4.719 4.527 0.001 0.000 0.315 222 F C 0.545 176.339 175.800 -0.010 0.000 1.102 222 F CA -0.470 57.525 58.000 -0.009 0.000 1.204 222 F CB 0.917 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 0.259 116.016 115.700 0.097 0.000 2.505 223 S HA 0.246 4.716 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 -0.117 58.122 58.200 0.066 0.000 1.053 223 S CB 1.162 64.400 63.200 0.063 0.000 0.919 223 S HN 0.214 nan 8.310 nan 0.000 0.490 224 S N 0.634 116.346 115.700 0.020 0.000 2.554 224 S HA 0.165 4.635 4.470 0.001 0.000 0.227 224 S C 0.180 174.761 174.600 -0.033 0.000 1.050 224 S CA -0.311 57.896 58.200 0.011 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 2.149 121.410 119.300 -0.065 0.000 2.441 225 C HA 0.903 5.363 4.460 0.001 0.000 0.318 225 C C -0.241 174.645 174.990 -0.173 0.000 1.222 225 C CA -1.322 57.639 59.018 -0.096 0.000 1.474 225 C CB 0.660 28.362 27.740 -0.064 0.000 2.125 225 C HN 0.278 nan 8.230 nan 0.000 0.479 226 V N 3.403 123.185 119.914 -0.221 0.000 2.668 226 V HA 0.774 4.895 4.120 0.001 0.000 0.304 226 V C -1.556 174.432 176.094 -0.176 0.000 1.071 226 V CA -0.427 61.695 62.300 -0.296 0.000 0.894 226 V CB 1.495 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 7.291 128.432 121.223 -0.137 0.000 2.287 227 L HA 0.653 4.993 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 1.520 43.507 42.059 -0.120 0.000 1.217 227 L HN 0.617 nan 8.230 nan 0.000 0.420 228 I N 2.637 123.156 120.570 -0.084 0.000 2.433 228 I HA 0.392 4.562 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 2.014 39.965 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 0.355 4.706 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 4.477 123.770 119.300 -0.012 0.000 2.303 230 C HA 0.789 5.249 4.460 0.001 0.000 0.326 230 C C 0.765 175.777 174.990 0.037 0.000 1.285 230 C CA -0.201 58.825 59.018 0.013 0.000 1.675 230 C CB -0.423 27.331 27.740 0.023 0.000 2.289 230 C HN 0.864 nan 8.230 nan 0.000 0.512 231 G N 3.090 111.907 108.800 0.029 0.000 2.588 231 G HA2 0.290 4.251 3.960 0.001 0.000 0.281 231 G HA3 0.290 4.251 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 45.027 45.100 0.013 0.000 0.969 231 G HN 0.800 nan 8.290 nan 0.000 0.504 232 D N -0.511 119.887 120.400 -0.004 0.000 2.896 232 D HA 0.352 4.993 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 53.861 54.000 0.000 0.000 0.983 232 D CB -0.490 40.304 40.800 -0.010 0.000 1.074 232 D HN 0.453 nan 8.370 nan 0.000 0.496 233 S N 0.062 115.750 115.700 -0.020 0.000 2.535 233 S HA 0.226 4.697 4.470 0.001 0.000 0.272 233 S C 0.945 175.510 174.600 -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 1.171 122.360 121.223 -0.057 0.000 2.043 234 L HA -0.159 4.181 4.340 0.001 0.000 0.212 234 L C 1.991 178.851 176.870 -0.018 0.000 1.075 234 L CA 1.772 56.575 54.840 -0.062 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 4.454 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 -0.071 115.643 115.700 0.023 0.000 2.368 236 S HA -0.050 4.420 4.470 0.001 0.000 0.224 236 S C 2.172 176.817 174.600 0.075 0.000 1.029 236 S CA 0.324 58.548 58.200 0.040 0.000 0.988 236 S CB -0.161 63.056 63.200 0.028 0.000 0.838 236 S HN 0.160 nan 8.310 nan 0.000 0.462 237 I N 1.902 122.499 120.570 0.044 0.000 2.264 237 I HA -0.192 3.979 4.170 0.001 0.000 0.248 237 I C 2.152 178.396 176.117 0.213 0.000 1.111 237 I CA 1.045 62.411 61.300 0.109 0.000 1.382 237 I CB -0.495 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 1.059 119.839 118.700 0.133 0.000 2.142 238 N HA -0.081 4.660 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 1.502 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 0.404 123.294 122.820 0.116 0.000 1.858 239 A HA -0.142 4.178 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 2.141 54.233 52.037 0.092 0.000 0.617 239 A CB -1.251 17.789 19.000 0.067 0.000 0.827 239 A HN 0.297 nan 8.150 nan 0.000 0.443 240 T N -0.311 114.310 114.554 0.113 0.000 2.607 240 T HA -0.211 4.139 4.350 0.001 0.000 0.267 240 T C 2.286 177.057 174.700 0.118 0.000 1.049 240 T CA 2.094 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 -0.173 4.297 4.470 0.001 0.000 0.227 241 S C 2.379 177.061 174.600 0.137 0.000 1.037 241 S CA 1.923 60.289 58.200 0.276 0.000 1.024 241 S CB -0.613 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 4.495 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 1.402 124.269 122.820 0.077 0.000 1.877 243 A HA -0.068 4.252 4.320 0.001 0.000 0.216 243 A C 2.029 179.696 177.584 0.137 0.000 1.186 243 A CA 1.309 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 3.945 4.170 0.001 0.000 0.245 244 I C 2.317 178.493 176.117 0.098 0.000 1.097 244 I CA 1.157 62.522 61.300 0.108 0.000 1.363 244 I CB -0.384 37.656 38.000 0.066 0.000 1.051 244 I HN 0.150 nan 8.210 nan 0.000 0.413 245 V N 0.742 120.694 119.914 0.062 0.000 2.343 245 V HA -0.264 3.857 4.120 0.001 0.000 0.247 245 V C 2.555 178.660 176.094 0.017 0.000 1.051 245 V CA 1.668 63.990 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 -0.834 119.558 120.400 -0.013 0.000 2.026 246 K HA -0.169 4.152 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 1.766 57.990 56.287 -0.105 0.000 0.929 246 K CB -0.493 31.888 32.500 -0.198 0.000 0.713 246 K HN 0.477 nan 8.250 nan 0.000 0.439 247 Y N 0.973 121.273 120.300 -0.000 0.000 2.200 247 Y HA -0.170 4.381 4.550 0.001 0.000 0.290 247 Y C 2.282 178.181 175.900 -0.002 0.000 1.137 247 Y CA 0.982 59.080 58.100 -0.004 0.000 1.163 247 Y CB -0.634 37.826 38.460 0.001 0.000 0.988 247 Y HN -0.093 nan 8.280 nan 0.000 0.518 248 V N -2.085 117.922 119.914 0.155 0.000 2.970 248 V HA -0.134 3.987 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 1.532 63.890 62.300 0.096 0.000 1.122 248 V CB -1.131 30.735 31.823 0.072 0.000 0.721 248 V HN 0.440 nan 8.190 nan 0.000 0.483 249 S N 0.022 115.747 115.700 0.040 0.000 2.481 249 S HA -0.111 4.359 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 59.412 58.200 0.014 0.000 0.942 249 S CB -0.441 62.754 63.200 -0.009 0.000 0.768 249 S HN 0.753 nan 8.310 nan 0.000 0.520 250 Q N 0.048 119.865 119.800 0.027 0.000 2.219 250 Q HA 0.383 4.723 4.340 0.001 0.000 0.209 250 Q C -0.280 175.751 176.000 0.050 0.000 0.854 250 Q CA -0.284 55.533 55.803 0.023 0.000 0.960 250 Q CB 0.321 29.070 28.738 0.018 0.000 1.116 250 Q HN 0.487 nan 8.270 nan 0.000 0.500 251 R N -0.994 119.544 120.500 0.063 0.000 3.739 251 R HA -0.124 4.216 4.340 0.001 0.000 0.338 251 R C -0.761 175.579 176.300 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 0.501 123.371 122.820 0.083 0.000 2.301 252 A HA 0.699 5.020 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 0.946 19.949 19.000 0.004 0.000 1.134 252 A HN 0.284 nan 8.150 nan 0.000 0.501 253 G N 1.148 109.946 108.800 -0.003 0.000 2.432 253 G HA2 0.492 4.453 3.960 0.001 0.000 0.257 253 G HA3 0.492 4.453 3.960 0.001 0.000 0.257 253 G C -0.258 174.622 174.900 -0.032 0.000 1.238 253 G CA -0.254 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 1.168 121.732 120.570 -0.009 0.000 2.474 254 I HA 0.494 4.664 4.170 0.001 0.000 0.294 254 I C 0.561 176.684 176.117 0.009 0.000 1.005 254 I CA -0.732 60.551 61.300 -0.028 0.000 1.113 254 I CB 1.427 39.417 38.000 -0.016 0.000 1.289 254 I HN 0.541 nan 8.210 nan 0.000 0.436 255 G N 6.574 115.377 108.800 0.006 0.000 2.487 255 G HA2 0.731 4.692 3.960 0.001 0.000 0.314 255 G HA3 0.731 4.692 3.960 0.001 0.000 0.314 255 G C -0.885 174.051 174.900 0.059 0.000 1.267 255 G CA -0.305 44.858 45.100 0.105 0.000 0.937 255 G HN 0.441 nan 8.290 nan 0.000 0.481 256 I N 2.131 122.767 120.570 0.111 0.000 2.378 256 I HA 0.248 4.419 4.170 0.001 0.000 0.291 256 I C -0.545 175.645 176.117 0.123 0.000 0.992 256 I CA -1.024 60.274 61.300 -0.004 0.000 1.154 256 I CB 2.190 40.086 38.000 -0.173 0.000 1.315 256 I HN 0.326 nan 8.210 nan 0.000 0.448 257 N N 5.399 124.133 118.700 0.057 0.000 2.457 257 N HA 0.470 5.210 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 -0.297 52.844 53.050 0.151 0.000 0.941 257 N CB 1.621 40.157 38.487 0.081 0.000 1.120 257 N HN 0.726 nan 8.380 nan 0.000 0.505 258 A N 2.349 125.279 122.820 0.183 0.000 2.637 258 A HA 0.377 4.697 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 52.098 52.037 0.219 0.000 0.956 258 A CB -0.277 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 0.350 109.338 108.800 0.314 0.000 2.443 259 G HA2 -0.149 3.811 3.960 0.001 0.000 0.219 259 G HA3 -0.149 3.811 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 0.574 45.879 45.100 0.343 0.000 0.775 259 G HN 0.566 nan 8.290 nan 0.000 0.547 260 R N -0.242 120.211 120.500 -0.077 0.000 2.153 260 R HA 0.191 4.531 4.340 0.001 0.000 0.218 260 R C 0.734 177.034 176.300 0.000 0.000 1.072 260 R CA -0.153 55.818 56.100 -0.215 0.000 0.990 260 R CB -0.158 29.984 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 4.025 4.170 0.001 0.000 0.292 261 I C 0.606 176.793 176.117 0.117 0.000 1.206 261 I CA 0.364 61.743 61.300 0.133 0.000 1.420 261 I CB 0.073 38.216 38.000 0.240 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 2.784 262 R HA 0.519 4.860 4.340 0.001 0.000 0.266 262 R C 0.085 176.192 176.300 -0.322 0.000 1.044 262 R CA -0.700 55.283 56.100 -0.195 0.000 1.151 262 R CB 0.176 30.331 30.300 -0.243 0.000 1.037 262 R HN 0.622 nan 8.270 nan 0.000 0.478 263 A N 2.353 125.060 122.820 -0.189 0.000 2.346 263 A HA 0.238 4.558 4.320 0.001 0.000 0.252 263 A C -0.061 177.457 177.584 -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 1.203 122.434 121.223 0.013 0.000 2.540 264 L HA 0.446 4.786 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 2.113 57.006 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 1.676 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 3.678 3.960 0.001 0.000 0.230 265 G HA3 -0.283 3.678 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 3.388 119.126 115.700 0.062 0.000 2.559 266 S HA 0.408 4.879 4.470 0.001 0.000 0.282 266 S C -1.685 172.828 174.600 -0.145 0.000 1.336 266 S CA 0.231 58.400 58.200 -0.052 0.000 1.037 266 S CB 0.985 64.135 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 3.081 123.562 120.570 -0.147 0.000 2.447 268 I HA 0.435 4.605 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 -0.696 60.587 61.300 -0.030 0.000 1.083 268 I CB 1.768 39.786 38.000 0.029 0.000 1.245 268 I HN 0.391 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 4.168 4.340 0.001 0.000 0.464 269 R C 0.487 176.774 176.300 -0.022 0.000 0.986 269 R CA 1.544 57.637 56.100 -0.012 0.000 1.305 269 R CB -1.403 28.899 30.300 0.003 0.000 1.950 269 R HN 1.358 nan 8.270 nan 0.000 0.526 270 G N -2.952 105.819 108.800 -0.049 0.000 1.695 270 G HA2 0.094 4.054 3.960 0.001 0.000 0.089 270 G HA3 0.094 4.054 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 44.936 45.100 -0.054 0.000 1.207 270 G HN 0.904 nan 8.290 nan 0.000 0.389 271 G N -0.124 108.658 108.800 -0.031 0.000 4.110 271 G HA2 0.484 4.444 3.960 0.001 0.000 0.292 271 G HA3 0.484 4.444 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 4.686 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 56.921 56.400 0.091 0.000 0.876 272 E CB 1.224 30.953 29.700 0.048 0.000 0.885 272 E HN 0.411 nan 8.360 nan 0.000 0.500 273 A N 0.391 123.294 122.820 0.138 0.000 2.594 273 A HA 0.662 4.982 4.320 0.001 0.000 0.295 273 A C -1.652 176.062 177.584 0.218 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 0.081 0.000 1.285 273 A HN 0.009 nan 8.150 nan 0.000 0.405 274 F N 2.076 122.040 119.950 0.024 0.000 2.577 274 F HA 0.323 4.850 4.527 0.001 0.000 0.344 274 F C 0.640 176.482 175.800 0.070 0.000 1.145 274 F CA -0.297 57.732 58.000 0.048 0.000 0.996 274 F CB 1.076 40.093 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 4.431 4.556 0.001 0.000 0.318 275 H C 0.811 176.182 175.328 0.073 0.000 1.012 275 H CA 1.599 57.701 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 2.959 117.464 114.554 -0.082 0.000 3.065 276 T HA 0.247 4.597 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 0.735 62.796 62.100 -0.065 0.000 1.063 276 T CB -0.021 68.698 68.868 -0.249 0.000 0.948 276 T HN 1.006 nan 8.240 nan 0.000 0.506 277 G N -0.276 108.756 108.800 0.387 0.000 2.498 277 G HA2 -0.150 3.810 3.960 0.001 0.000 0.651 277 G HA3 -0.150 3.810 3.960 0.001 0.000 0.651 277 G C 0.602 175.638 174.900 0.228 0.000 1.284 277 G CA -0.491 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 4.689 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 59.732 59.018 -0.127 0.000 1.749 278 C CB -1.304 26.114 27.740 -0.537 0.000 2.088 278 C HN 0.620 nan 8.230 nan 0.000 0.508 279 I N 2.704 123.019 120.570 -0.425 0.000 2.087 279 I HA -0.175 3.996 4.170 0.001 0.000 0.240 279 I C -0.257 175.768 176.117 -0.152 0.000 1.054 279 I CA 2.159 63.274 61.300 -0.308 0.000 1.311 279 I CB -2.768 35.102 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 -0.296 0.000 1.157 280 P CA 1.777 64.686 63.100 -0.319 0.000 0.880 280 P CB -0.217 31.158 31.700 -0.542 0.000 0.791 281 F N -2.630 117.272 119.950 -0.079 0.000 2.146 281 F HA -0.157 4.371 4.527 0.001 0.000 0.298 281 F C 2.454 178.120 175.800 -0.223 0.000 1.096 281 F CA 1.031 58.912 58.000 -0.198 0.000 1.275 281 F CB -1.756 37.151 39.000 -0.154 0.000 1.008 281 F HN -0.103 nan 8.300 nan 0.000 0.480 282 Y N 0.860 121.172 120.300 0.020 0.000 2.114 282 Y HA -0.244 4.307 4.550 0.001 0.000 0.282 282 Y C 2.296 178.277 175.900 0.135 0.000 1.165 282 Y CA 0.884 59.085 58.100 0.167 0.000 1.148 282 Y CB -1.330 37.269 38.460 0.231 0.000 0.972 282 Y HN 0.081 nan 8.280 nan 0.000 0.504 283 K N -1.223 119.317 120.400 0.233 0.000 2.147 283 K HA -0.230 4.090 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 1.551 57.940 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 -0.138 118.928 119.070 -0.006 0.000 2.395 284 H HA -0.065 4.491 4.556 0.001 0.000 0.299 284 H C 1.507 176.896 175.328 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 -0.062 0.000 1.401 284 H HN 0.041 nan 8.280 nan 0.000 0.524 285 F N 0.667 120.733 119.950 0.194 0.000 2.146 285 F HA -0.129 4.398 4.527 0.001 0.000 0.298 285 F C 2.779 178.608 175.800 0.049 0.000 1.096 285 F CA 1.369 59.419 58.000 0.085 0.000 1.275 285 F CB -1.061 38.001 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 4.126 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 -2.042 112.567 114.554 0.092 0.000 2.904 287 T HA 0.053 4.404 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 1.524 124.342 122.820 -0.003 0.000 1.877 288 A HA 0.055 4.375 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 -1.155 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 -0.287 119.669 119.914 0.070 0.000 2.332 289 V HA -0.206 3.914 4.120 0.001 0.000 0.248 289 V C 2.193 178.318 176.094 0.052 0.000 1.055 289 V CA 2.371 64.710 62.300 0.065 0.000 1.038 289 V CB -0.567 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 0.365 120.793 120.400 0.047 0.000 2.417 290 K HA 0.094 4.414 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 56.932 56.287 0.029 0.000 1.122 290 K CB -0.166 32.346 32.500 0.020 0.000 0.850 290 K HN 0.542 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 4.351 4.470 0.001 0.000 0.235 291 S C 1.224 175.833 174.600 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 0.797 123.629 122.820 0.019 0.000 3.219 292 A HA 0.722 5.042 4.320 0.001 0.000 0.314 292 A C -0.090 177.504 177.584 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 19.333 19.000 0.018 0.000 1.067 292 A HN 0.290 nan 8.150 nan 0.000 0.533 293 S N 0.367 116.074 115.700 0.012 0.000 2.521 293 S HA 0.328 4.798 4.470 0.001 0.000 0.295 293 S C -0.426 174.176 174.600 0.002 0.000 1.098 293 S CA -0.558 57.646 58.200 0.008 0.000 0.999 293 S CB 1.457 64.658 63.200 0.001 0.000 1.034 293 S HN 0.518 nan 8.310 nan 0.000 0.483 294 Q N 1.587 121.389 119.800 0.003 0.000 2.283 294 Q HA 0.264 4.604 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 57.123 55.803 0.001 0.000 0.922 294 Q CB 0.002 28.742 28.738 0.005 0.000 1.323 294 Q HN 1.190 nan 8.270 nan 0.000 0.432 295 G N 2.808 111.604 108.800 -0.007 0.000 2.729 295 G HA2 -0.281 3.679 3.960 0.001 0.000 0.216 295 G HA3 -0.281 3.679 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 45.064 45.100 -0.013 0.000 0.751 295 G HN 1.362 nan 8.290 nan 0.000 0.527 296 G N -2.036 106.744 108.800 -0.033 0.000 2.223 296 G HA2 0.310 4.270 3.960 0.001 0.000 0.200 296 G HA3 0.310 4.270 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 -0.110 119.746 119.914 -0.097 0.000 3.161 297 V HA 0.280 4.401 4.120 0.001 0.000 0.228 297 V C 1.048 177.107 176.094 -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 4.822 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 -0.169 30.134 30.300 0.005 0.000 0.991 298 R HN 0.536 nan 8.270 nan 0.000 0.448 299 G N 1.367 110.187 108.800 0.032 0.000 2.860 299 G HA2 0.040 4.000 3.960 0.001 0.000 0.553 299 G HA3 0.040 4.000 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 -1.459 107.372 108.800 0.051 0.000 2.883 300 G HA2 0.489 4.449 3.960 0.001 0.000 0.219 300 G HA3 0.489 4.449 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 1.523 124.380 122.820 0.062 0.000 2.384 301 A HA 1.203 5.524 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 0.125 52.204 52.037 0.070 0.000 0.779 301 A CB 2.054 21.111 19.000 0.094 0.000 1.307 301 A HN 2.675 nan 8.150 nan 0.000 0.436 302 A N 0.079 122.927 122.820 0.048 0.000 2.604 302 A HA 0.781 5.101 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 51.675 52.037 0.025 0.000 0.683 302 A CB 1.259 20.263 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 4.905 4.350 0.001 0.000 0.285 303 T C -0.886 173.745 174.700 -0.115 0.000 0.991 303 T CA -0.159 61.904 62.100 -0.062 0.000 0.966 303 T CB 0.964 69.863 68.868 0.052 0.000 0.962 303 T HN 0.610 nan 8.240 nan 0.000 0.438 304 L N 4.112 125.170 121.223 -0.276 0.000 2.296 304 L HA 0.678 5.019 4.340 0.001 0.000 0.286 304 L C -1.322 175.436 176.870 -0.185 0.000 1.023 304 L CA -0.680 54.091 54.840 -0.115 0.000 0.812 304 L CB 0.442 42.452 42.059 -0.082 0.000 1.223 304 L HN 0.519 nan 8.230 nan 0.000 0.421 305 F N 4.448 124.449 119.950 0.084 0.000 2.432 305 F HA 0.598 5.125 4.527 0.001 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 1.399 40.449 39.000 0.083 0.000 1.201 305 F HN 0.372 nan 8.300 nan 0.000 0.489 306 Y N 0.110 120.594 120.300 0.307 0.000 2.592 306 Y HA 0.607 5.158 4.550 0.001 0.000 0.334 306 Y C -3.368 172.615 175.900 0.139 0.000 1.136 306 Y CA -3.617 54.614 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 1.820 121.317 119.600 -0.171 0.000 2.419 308 M HA -0.011 4.469 4.480 0.001 0.000 0.264 308 M C 1.013 177.328 176.300 0.026 0.000 1.082 308 M CA 1.331 56.613 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 -0.837 120.513 121.300 0.083 0.000 3.290 309 W HA 0.158 4.818 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 2.275 121.257 119.070 -0.146 0.000 3.016 310 H HA -0.113 4.443 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 56.881 56.048 -0.073 0.000 1.390 310 H CB 1.619 31.283 29.762 -0.164 0.000 1.344 310 H HN 0.062 nan 8.280 nan 0.000 0.605 311 L N 3.925 125.121 121.223 -0.045 0.000 2.191 311 L HA -0.106 4.235 4.340 0.001 0.000 0.212 311 L C 1.517 178.445 176.870 0.097 0.000 1.103 311 L CA 1.722 56.576 54.840 0.022 0.000 0.769 311 L CB -0.235 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 4.341 4.350 0.001 0.000 0.191 312 E C 1.877 178.405 176.600 -0.120 0.000 1.044 312 E CA -0.017 56.398 56.400 0.025 0.000 0.939 312 E CB 0.295 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 1.156 121.034 119.914 -0.061 0.000 2.392 313 V HA -0.312 3.808 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 2.076 64.302 62.300 -0.123 0.000 1.051 313 V CB -0.031 31.797 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 4.212 4.350 0.001 0.000 0.194 314 E C 2.246 178.782 176.600 -0.108 0.000 0.989 314 E CA 1.477 57.831 56.400 -0.075 0.000 0.824 314 E CB -0.121 29.549 29.700 -0.051 0.000 0.756 314 E HN 0.691 nan 8.360 nan 0.000 0.477 315 S N 0.613 116.226 115.700 -0.144 0.000 2.446 315 S HA 0.035 4.505 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 0.305 58.405 58.200 -0.167 0.000 0.943 315 S CB 0.041 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 4.333 4.340 0.001 0.000 0.205 316 L C 2.106 178.775 176.870 -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 0.109 121.233 121.223 -0.164 0.000 2.187 317 L HA -0.131 4.209 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 56.389 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 -5.035 114.812 119.914 -0.112 0.000 3.177 318 V HA 0.155 4.275 4.120 0.001 0.000 0.342 318 V C 1.743 177.781 176.094 -0.095 0.000 1.379 318 V CA -0.011 62.239 62.300 -0.084 0.000 1.191 318 V CB -0.465 31.318 31.823 -0.068 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 2.191 319 L HA -0.037 4.303 4.340 0.001 0.000 0.212 319 L C 2.502 179.382 176.870 0.016 0.000 1.103 319 L CA 1.768 56.538 54.840 -0.117 0.000 0.769 319 L CB -0.279 41.618 42.059 -0.271 0.000 0.908 319 L HN 0.490 nan 8.230 nan 0.000 0.438 320 K N -1.042 119.394 120.400 0.059 0.000 2.374 320 K HA 0.069 4.389 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 56.055 56.287 0.056 0.000 1.103 320 K CB -0.231 32.323 32.500 0.089 0.000 0.848 320 K HN 0.143 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 4.655 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 3.329 122.014 118.700 -0.024 0.000 2.434 322 N HA -0.071 4.670 4.740 0.001 0.000 0.196 322 N C -0.213 175.286 175.510 -0.018 0.000 1.183 322 N CA 0.322 53.358 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 4.869 4.340 0.001 0.000 0.299 323 R C -0.950 175.338 176.300 -0.021 0.000 1.120 323 R CA -0.333 55.757 56.100 -0.018 0.000 0.940 323 R CB 0.851 31.141 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 4.073 3.960 0.001 0.000 0.295 324 G HA3 0.113 4.073 3.960 0.001 0.000 0.295 324 G C -1.689 173.199 174.900 -0.020 0.000 1.413 324 G CA -0.672 44.415 45.100 -0.022 0.000 0.817 324 G HN 0.330 nan 8.290 nan 0.000 0.546 325 V N 0.451 120.351 119.914 -0.022 0.000 2.655 325 V HA 0.303 4.424 4.120 0.001 0.000 0.300 325 V C 1.791 177.873 176.094 -0.019 0.000 1.044 325 V CA 1.101 63.389 62.300 -0.020 0.000 1.095 325 V CB 1.444 33.253 31.823 -0.023 0.000 0.952 325 V HN 0.997 nan 8.190 nan 0.000 0.485 326 E N 4.811 125.004 120.200 -0.011 0.000 2.130 326 E HA -0.111 4.240 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 1.986 58.383 56.400 -0.005 0.000 0.806 326 E CB -0.630 29.073 29.700 0.004 0.000 0.738 326 E HN 0.911 nan 8.360 nan 0.000 0.459 327 G N -0.796 107.992 108.800 -0.020 0.000 2.776 327 G HA2 -0.176 3.785 3.960 0.001 0.000 0.209 327 G HA3 -0.176 3.785 3.960 0.001 0.000 0.209 327 G C 0.927 175.801 174.900 -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 -0.553 118.122 118.700 -0.041 0.000 2.299 328 N HA 0.170 4.910 4.740 0.001 0.000 0.246 328 N C -0.533 174.948 175.510 -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 1.103 121.587 120.500 -0.026 0.000 2.532 329 R HA 0.376 4.717 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 1.868 32.156 30.300 -0.021 0.000 1.182 329 R HN -0.176 nan 8.270 nan 0.000 0.442 330 V N 4.998 124.954 119.914 0.070 0.000 2.260 330 V HA 0.283 4.403 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 -0.461 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 0.088 120.556 120.500 -0.053 0.000 2.148 331 R HA 0.008 4.349 4.340 0.001 0.000 0.227 331 R C 0.749 176.877 176.300 -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 4.897 4.556 0.001 0.000 0.309 332 H C -0.031 175.304 175.328 0.011 0.000 1.180 332 H CA 0.264 56.340 56.048 0.046 0.000 1.087 332 H CB -0.045 29.746 29.762 0.049 0.000 1.494 332 H HN 0.070 nan 8.280 nan 0.000 0.515 333 M N 0.775 120.374 119.600 -0.002 0.000 2.421 333 M HA 0.181 4.661 4.480 0.001 0.000 0.287 333 M C -1.055 174.973 176.300 -0.452 0.000 1.183 333 M CA -0.732 54.459 55.300 -0.182 0.000 0.916 333 M CB 3.064 35.523 32.600 -0.234 0.000 1.701 333 M HN 0.002 nan 8.290 nan 0.000 0.470 334 D N 1.199 121.369 120.400 -0.384 0.000 2.340 334 D HA 0.512 5.153 4.640 0.001 0.000 0.251 334 D C -1.332 174.526 176.300 -0.738 0.000 1.080 334 D CA 0.328 54.078 54.000 -0.418 0.000 0.971 334 D CB 1.056 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 -1.095 119.058 120.300 -0.245 0.000 2.536 335 Y HA 0.549 5.100 4.550 0.001 0.000 0.347 335 Y C 0.773 176.449 175.900 -0.374 0.000 1.000 335 Y CA -1.106 56.846 58.100 -0.245 0.000 1.051 335 Y CB 2.362 40.794 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 4.488 3.960 0.001 0.000 0.297 336 G HA3 0.528 4.488 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 2.520 122.276 119.914 -0.264 0.000 2.530 337 V HA 0.228 4.348 4.120 0.001 0.000 0.282 337 V C 0.242 176.315 176.094 -0.035 0.000 1.048 337 V CA -0.280 61.833 62.300 -0.312 0.000 0.997 337 V CB 1.258 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 4.977 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 -0.136 55.774 55.803 0.177 0.000 0.900 338 Q CB 1.698 30.636 28.738 0.333 0.000 1.228 338 Q HN 0.652 nan 8.270 nan 0.000 0.449 339 I N 1.778 122.402 120.570 0.090 0.000 2.797 339 I HA 0.503 4.673 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 -1.106 60.202 61.300 0.012 0.000 1.071 339 I CB 1.786 39.671 38.000 -0.193 0.000 1.255 339 I HN 0.612 nan 8.210 nan 0.000 0.445 340 N N 2.090 120.725 118.700 -0.109 0.000 2.697 340 N HA 0.308 5.048 4.740 0.001 0.000 0.272 340 N C -0.001 175.467 175.510 -0.070 0.000 1.381 340 N CA -1.042 51.914 53.050 -0.156 0.000 0.797 340 N CB 1.294 39.532 38.487 -0.414 0.000 1.523 340 N HN 0.520 nan 8.380 nan 0.000 0.518 341 K N -0.658 119.723 120.400 -0.032 0.000 2.044 341 K HA -0.138 4.182 4.320 0.001 0.000 0.210 341 K C 1.665 178.266 176.600 0.003 0.000 1.049 341 K CA 1.497 57.762 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 0.464 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 4.080 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 41.782 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 4.219 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 0.262 nan 8.290 nan 0.000 0.405 344 Y N 0.940 121.244 120.300 0.007 0.000 2.165 344 Y HA -0.175 4.376 4.550 0.001 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 -1.546 36.689 38.460 -0.376 0.000 0.978 344 Y HN 0.300 nan 8.280 nan 0.000 0.513 345 T N 0.170 114.756 114.554 0.053 0.000 2.759 345 T HA -0.168 4.182 4.350 0.001 0.000 0.269 345 T C 1.999 176.717 174.700 0.029 0.000 1.042 345 T CA 1.179 63.297 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 0.218 nan 8.240 nan 0.000 0.455 346 R N 0.673 121.207 120.500 0.055 0.000 2.091 346 R HA -0.004 4.336 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 0.873 57.017 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 1.247 122.463 121.223 -0.011 0.000 1.989 347 L HA -0.139 4.202 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 41.107 42.059 -0.500 0.000 0.890 347 L HN 0.072 nan 8.230 nan 0.000 0.431 348 L N -0.541 120.638 121.223 -0.075 0.000 2.042 348 L HA -0.232 4.108 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 1.666 56.478 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 0.028 120.427 120.400 -0.002 0.000 2.459 349 K HA 0.103 4.423 4.320 0.001 0.000 0.193 349 K C 1.124 177.733 176.600 0.015 0.000 1.030 349 K CA 0.583 56.877 56.287 0.011 0.000 1.026 349 K CB 0.093 32.606 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 3.687 3.960 0.001 0.000 0.257 350 G HA3 -0.274 3.687 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 0.266 45.379 45.100 0.022 0.000 0.791 350 G HN 0.390 nan 8.290 nan 0.000 0.502 351 E N -0.351 119.876 120.200 0.046 0.000 2.700 351 E HA 0.517 4.867 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 -0.232 120.212 120.400 0.074 0.000 2.332 352 D HA 0.411 5.051 4.640 0.001 0.000 0.252 352 D C -0.634 175.739 176.300 0.122 0.000 1.050 352 D CA -0.376 53.672 54.000 0.080 0.000 0.970 352 D CB 1.225 42.055 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 4.402 4.170 0.001 0.000 0.292 353 I C -0.397 175.800 176.117 0.133 0.000 1.001 353 I CA -0.559 60.855 61.300 0.190 0.000 1.119 353 I CB 1.932 40.047 38.000 0.192 0.000 1.289 353 I HN 0.219 nan 8.210 nan 0.000 0.438 354 T N 7.089 121.743 114.554 0.167 0.000 2.799 354 T HA 0.505 4.855 4.350 0.001 0.000 0.286 354 T C -0.122 174.467 174.700 -0.184 0.000 0.973 354 T CA -0.425 61.584 62.100 -0.151 0.000 1.035 354 T CB 0.641 69.248 68.868 -0.434 0.000 0.932 354 T HN 0.257 nan 8.240 nan 0.000 0.469 355 L N 4.095 125.144 121.223 -0.290 0.000 2.275 355 L HA 0.616 4.956 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 54.098 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 0.190 120.266 119.950 0.211 0.000 2.593 356 F HA 0.409 4.936 4.527 0.001 0.000 0.320 356 F C 0.435 176.283 175.800 0.079 0.000 1.060 356 F CA -0.768 57.287 58.000 0.091 0.000 0.940 356 F CB 2.140 41.135 39.000 -0.009 0.000 1.268 356 F HN 0.323 nan 8.300 nan 0.000 0.475 357 S N 2.426 118.213 115.700 0.145 0.000 2.513 357 S HA 0.340 4.810 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 1.176 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 1.652 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 4.334 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 1.277 59.449 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 1.354 121.694 120.400 -0.100 0.000 2.339 360 D HA 0.152 4.793 4.640 0.001 0.000 0.217 360 D C 0.266 176.358 176.300 -0.347 0.000 1.050 360 D CA 0.302 54.203 54.000 -0.164 0.000 0.856 360 D CB 0.776 41.509 40.800 -0.111 0.000 0.922 360 D HN 0.523 nan 8.370 nan 0.000 0.518 361 V N -0.849 118.832 119.914 -0.389 0.000 2.380 361 V HA 0.393 4.514 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 59.523 62.300 -0.781 0.000 0.823 361 V CB 1.074 32.298 31.823 -0.998 0.000 1.053 361 V HN -0.270 nan 8.190 nan 0.000 0.446 362 P HA 0.237 nan 4.420 nan 0.000 0.261 362 P C 1.319 178.693 177.300 0.124 0.000 1.183 362 P CA 1.927 65.029 63.100 0.004 0.000 0.761 362 P CB 0.847 32.565 31.700 0.030 0.000 0.785 363 G N 2.651 111.530 108.800 0.131 0.000 2.304 363 G HA2 -0.347 3.613 3.960 0.001 0.000 0.252 363 G HA3 -0.347 3.613 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 0.250 45.446 45.100 0.160 0.000 0.619 363 G HN 0.524 nan 8.290 nan 0.000 0.525 364 L N -0.579 120.752 121.223 0.180 0.000 1.970 364 L HA -0.104 4.236 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 -0.759 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 1.364 121.909 120.300 0.408 0.000 2.053 365 Y HA -0.370 4.180 4.550 0.001 0.000 0.277 365 Y C 2.236 178.499 175.900 0.606 0.000 1.159 365 Y CA 2.407 60.880 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 4.401 4.640 0.001 0.000 0.194 366 D C 2.297 178.812 176.300 0.359 0.000 0.994 366 D CA 1.721 55.979 54.000 0.430 0.000 0.830 366 D CB -0.548 40.439 40.800 0.310 0.000 0.959 366 D HN 0.475 nan 8.370 nan 0.000 0.452 367 A N 0.422 123.441 122.820 0.331 0.000 1.917 367 A HA -0.232 4.088 4.320 0.001 0.000 0.219 367 A C 1.990 179.754 177.584 0.300 0.000 1.182 367 A CA 1.160 53.380 52.037 0.306 0.000 0.633 367 A CB -1.106 18.086 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 4.298 4.527 0.001 0.000 0.300 368 F C 1.742 177.194 175.800 -0.580 0.000 1.092 368 F CA 1.799 59.530 58.000 -0.448 0.000 1.245 368 F CB -0.485 38.210 39.000 -0.508 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 4.764 4.527 0.001 0.000 0.290 369 F C 2.369 178.112 175.800 -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 37.735 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 0.163 0.000 2.220 370 A HA 0.129 4.450 4.320 0.001 0.000 0.211 370 A C -0.093 177.537 177.584 0.076 0.000 1.176 370 A CA 0.564 52.666 52.037 0.108 0.000 0.834 370 A CB 0.058 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 -0.876 119.573 120.400 0.082 0.000 2.354 371 D HA 0.156 4.797 4.640 0.001 0.000 0.230 371 D C 0.260 176.621 176.300 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 -0.080 4.260 4.340 0.001 0.000 0.202 372 Q C 1.249 177.333 176.000 0.140 0.000 0.970 372 Q CA 0.995 56.852 55.803 0.090 0.000 0.855 372 Q CB 0.414 29.172 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 4.139 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 57.587 56.400 0.073 0.000 0.800 373 E CB -0.066 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 4.164 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 0.816 57.254 56.400 0.062 0.000 0.804 374 E CB -0.423 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 1.335 121.294 119.950 0.016 0.000 2.095 375 F HA -0.160 4.367 4.527 0.001 0.000 0.298 375 F C 2.227 178.034 175.800 0.012 0.000 1.104 375 F CA 2.143 60.156 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 4.071 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 1.142 57.569 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 0.353 120.815 120.500 -0.063 0.000 2.103 377 R HA -0.185 4.156 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 1.650 57.680 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 4.092 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 56.127 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 1.180 121.088 120.300 -0.654 0.000 2.114 379 Y HA -0.353 4.197 4.550 0.001 0.000 0.282 379 Y C 2.991 178.713 175.900 -0.295 0.000 1.165 379 Y CA 2.380 60.126 58.100 -0.590 0.000 1.148 379 Y CB -0.495 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 -1.919 112.564 114.554 -0.119 0.000 2.777 380 T HA -0.192 4.158 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 0.296 120.534 120.400 -0.270 0.000 1.987 381 K HA -0.216 4.104 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 1.891 57.994 56.287 -0.307 0.000 0.942 381 K CB -0.539 31.659 32.500 -0.504 0.000 0.722 381 K HN 0.348 nan 8.250 nan 0.000 0.444 382 Y N 1.582 121.722 120.300 -0.267 0.000 2.384 382 Y HA -0.152 4.398 4.550 0.001 0.000 0.289 382 Y C 2.075 177.926 175.900 -0.081 0.000 1.152 382 Y CA 1.203 59.127 58.100 -0.294 0.000 1.258 382 Y CB -0.457 37.578 38.460 -0.709 0.000 0.979 382 Y HN 0.335 nan 8.280 nan 0.000 0.549 383 E N -0.150 120.083 120.200 0.055 0.000 2.077 383 E HA -0.206 4.144 4.350 0.001 0.000 0.193 383 E C 1.890 178.507 176.600 0.029 0.000 0.989 383 E CA 1.268 57.705 56.400 0.060 0.000 0.800 383 E CB -0.034 29.625 29.700 -0.067 0.000 0.746 383 E HN 0.222 nan 8.360 nan 0.000 0.452 384 K N 0.874 121.275 120.400 0.002 0.000 2.243 384 K HA -0.012 4.309 4.320 0.001 0.000 0.201 384 K C 0.374 176.982 176.600 0.014 0.000 1.051 384 K CA 0.244 56.530 56.287 -0.002 0.000 0.970 384 K CB 0.032 32.520 32.500 -0.020 0.000 0.755 384 K HN -0.013 nan 8.250 nan 0.000 0.465 385 D N 1.605 122.027 120.400 0.037 0.000 2.389 385 D HA -0.090 4.550 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 54.409 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 1.960 122.373 120.400 0.022 0.000 2.312 386 D HA -0.096 4.544 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 4.466 4.470 0.001 0.000 0.228 387 S C 1.175 175.773 174.600 -0.005 0.000 0.995 387 S CA 0.113 58.313 58.200 0.001 0.000 0.934 387 S CB 0.361 63.559 63.200 -0.003 0.000 0.771 387 S HN 0.125 nan 8.310 nan 0.000 0.522 388 I N 2.613 123.187 120.570 0.006 0.000 2.441 388 I HA 0.298 4.468 4.170 0.001 0.000 0.287 388 I C 0.655 176.793 176.117 0.035 0.000 1.049 388 I CA -0.414 60.890 61.300 0.006 0.000 1.381 388 I CB 0.273 38.280 38.000 0.013 0.000 1.409 388 I HN 0.129 nan 8.210 nan 0.000 0.523 389 R N 6.958 127.469 120.500 0.019 0.000 2.401 389 R HA 0.206 4.546 4.340 0.001 0.000 0.299 389 R C -0.259 176.038 176.300 -0.006 0.000 1.064 389 R CA 0.121 56.223 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 4.689 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 -0.431 0.000 1.506 390 K HN 0.469 nan 8.250 nan 0.000 0.441 391 Q N 0.524 120.164 119.800 -0.267 0.000 2.309 391 Q HA 0.339 4.679 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 2.421 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 1.412 121.849 120.500 -0.104 0.000 2.460 392 R HA 0.633 4.973 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 4.604 4.120 0.001 0.000 0.311 393 V C -0.581 175.538 176.094 0.042 0.000 1.120 393 V CA -1.391 60.918 62.300 0.016 0.000 0.980 393 V CB 2.076 33.909 31.823 0.018 0.000 1.033 393 V HN 0.459 nan 8.190 nan 0.000 0.429 394 K N 2.461 122.887 120.400 0.043 0.000 2.383 394 K HA 0.608 4.929 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 0.689 57.012 56.287 0.060 0.000 0.974 394 K CB 0.851 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 -0.184 4.136 4.320 0.001 0.000 0.220 395 A C 1.861 179.609 177.584 0.273 0.000 1.185 395 A CA 2.202 54.372 52.037 0.222 0.000 0.639 395 A CB -0.642 18.482 19.000 0.207 0.000 0.820 395 A HN 0.559 nan 8.150 nan 0.000 0.451 396 V N 0.171 120.178 119.914 0.155 0.000 2.343 396 V HA -0.281 3.839 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 2.231 64.610 62.300 0.132 0.000 1.036 396 V CB -0.908 30.956 31.823 0.068 0.000 0.654 396 V HN 0.633 nan 8.190 nan 0.000 0.451 397 E N -0.124 120.138 120.200 0.103 0.000 2.031 397 E HA -0.232 4.119 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 0.391 121.660 121.223 0.076 0.000 2.017 398 L HA -0.145 4.195 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 -0.682 119.278 119.950 0.017 0.000 2.134 399 F HA -0.217 4.311 4.527 0.001 0.000 0.299 399 F C 2.574 178.386 175.800 0.019 0.000 1.097 399 F CA 1.740 59.751 58.000 0.018 0.000 1.264 399 F CB -0.588 38.426 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 -0.151 4.319 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 0.950 59.209 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 2.074 123.317 121.223 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 1.905 56.748 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 0.364 nan 8.230 nan 0.000 0.431 402 M N -1.577 118.016 119.600 -0.012 0.000 2.086 402 M HA -0.247 4.233 4.480 0.001 0.000 0.261 402 M C 2.057 178.367 176.300 0.017 0.000 1.067 402 M CA 2.014 57.304 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 0.029 119.658 119.600 0.049 0.000 2.175 403 M HA -0.195 4.285 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 1.653 56.986 55.300 0.055 0.000 1.119 403 M CB -1.651 30.998 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 4.133 4.340 0.001 0.000 0.204 404 Q C 1.732 177.724 176.000 -0.013 0.000 0.984 404 Q CA 1.511 57.306 55.803 -0.015 0.000 0.846 404 Q CB 0.105 28.836 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 4.159 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 -0.253 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 0.456 120.959 120.500 0.006 0.000 2.073 406 R HA -0.031 4.310 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 1.208 57.321 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 0.685 123.511 122.820 0.011 0.000 1.858 407 A HA -0.187 4.133 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 2.004 54.039 52.037 -0.003 0.000 0.617 407 A CB -0.828 18.138 19.000 -0.057 0.000 0.827 407 A HN 0.596 nan 8.150 nan 0.000 0.443 408 S N -0.567 115.126 115.700 -0.012 0.000 2.402 408 S HA -0.149 4.321 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 2.100 60.293 58.200 -0.013 0.000 0.974 408 S CB -0.974 62.216 63.200 -0.018 0.000 0.800 408 S HN 0.820 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 4.840 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 1.080 63.170 62.100 -0.018 0.000 1.125 409 T CB -0.423 68.432 68.868 -0.023 0.000 0.908 409 T HN 1.287 nan 8.240 nan 0.000 0.473 410 G N 2.184 110.982 108.800 -0.003 0.000 2.217 410 G HA2 -0.225 3.736 3.960 0.001 0.000 0.246 410 G HA3 -0.225 3.736 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 0.140 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 -0.005 120.444 120.500 -0.086 0.000 2.652 411 R HA 0.400 4.741 4.340 0.001 0.000 0.372 411 R C -0.023 175.869 176.300 -0.681 0.000 1.104 411 R CA -0.263 55.631 56.100 -0.343 0.000 1.072 411 R CB 0.494 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 2.389 122.733 120.570 -0.377 0.000 2.337 412 I HA 0.257 4.427 4.170 0.001 0.000 0.285 412 I C -0.261 175.767 176.117 -0.147 0.000 1.041 412 I CA -1.512 59.627 61.300 -0.268 0.000 1.199 412 I CB -0.118 37.843 38.000 -0.065 0.000 1.370 412 I HN -0.044 nan 8.210 nan 0.000 0.470 413 Y N 6.052 126.380 120.300 0.046 0.000 2.326 413 Y HA 0.527 5.078 4.550 0.001 0.000 0.324 413 Y C 0.449 176.385 175.900 0.059 0.000 1.291 413 Y CA -1.105 57.038 58.100 0.072 0.000 1.348 413 Y CB 0.762 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 0.959 121.714 120.570 0.308 0.000 2.603 414 I HA 0.365 4.536 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 4.986 124.930 119.800 0.241 0.000 2.275 415 Q HA 0.392 4.733 4.340 0.001 0.000 0.266 415 Q C -1.587 174.517 176.000 0.173 0.000 1.002 415 Q CA -0.722 55.224 55.803 0.238 0.000 0.761 415 Q CB 1.212 30.130 28.738 0.300 0.000 1.255 415 Q HN 0.541 nan 8.270 nan 0.000 0.446 416 N N 4.249 123.056 118.700 0.178 0.000 2.448 416 N HA 0.041 4.781 4.740 0.001 0.000 0.250 416 N C 1.160 176.678 175.510 0.013 0.000 1.136 416 N CA 0.148 53.279 53.050 0.134 0.000 0.953 416 N CB 1.575 40.177 38.487 0.192 0.000 1.251 416 N HN 0.583 nan 8.380 nan 0.000 0.502 417 V N 0.201 120.028 119.914 -0.146 0.000 2.427 417 V HA -0.215 3.905 4.120 0.001 0.000 0.248 417 V C 1.696 177.680 176.094 -0.184 0.000 1.051 417 V CA 1.557 63.723 62.300 -0.224 0.000 1.048 417 V CB -0.453 30.969 31.823 -0.668 0.000 0.666 417 V HN 0.416 nan 8.190 nan 0.000 0.456 418 D N 0.246 120.508 120.400 -0.229 0.000 2.092 418 D HA -0.274 4.367 4.640 0.001 0.000 0.193 418 D C 1.957 178.294 176.300 0.060 0.000 0.994 418 D CA 2.269 56.206 54.000 -0.105 0.000 0.828 418 D CB -0.998 39.759 40.800 -0.072 0.000 0.963 418 D HN 0.519 nan 8.370 nan 0.000 0.450 419 H N -0.034 119.035 119.070 -0.002 0.000 2.390 419 H HA -0.028 4.528 4.556 0.001 0.000 0.298 419 H C 2.344 177.682 175.328 0.017 0.000 1.106 419 H CA 0.766 56.801 56.048 -0.023 0.000 1.297 419 H CB -0.995 28.728 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 4.431 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 0.644 59.712 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 -0.503 118.235 118.700 0.062 0.000 2.332 421 N HA -0.036 4.704 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 1.233 54.314 53.050 0.053 0.000 0.883 421 N CB -0.098 38.421 38.487 0.054 0.000 1.089 421 N HN 0.645 nan 8.380 nan 0.000 0.480 422 T N -2.122 112.467 114.554 0.059 0.000 3.043 422 T HA -0.047 4.304 4.350 0.001 0.000 0.263 422 T C 0.623 175.362 174.700 0.064 0.000 1.094 422 T CA 0.894 63.022 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 5.186 4.556 0.001 0.000 0.237 423 H C -0.606 174.682 175.328 -0.067 0.000 1.391 423 H CA -0.528 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 2.620 118.172 115.700 -0.247 0.000 2.625 424 S HA 0.400 4.870 4.470 0.001 0.000 0.271 424 S C -2.568 171.835 174.600 -0.328 0.000 1.161 424 S CA -1.263 56.784 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 -0.528 176.333 177.300 -0.732 0.000 1.191 425 P CA 0.423 63.122 63.100 -0.668 0.000 0.771 425 P CB -0.313 31.018 31.700 -0.614 0.000 0.929 426 F N 0.103 119.984 119.950 -0.114 0.000 2.507 426 F HA 0.374 4.901 4.527 0.000 0.000 0.327 426 F C 0.669 176.418 175.800 -0.086 0.000 1.068 426 F CA -1.371 56.581 58.000 -0.080 0.000 0.965 426 F CB 0.746 39.718 39.000 -0.048 0.000 1.192 426 F HN -0.350 nan 8.300 nan 0.000 0.476 427 D N 3.372 123.847 120.400 0.125 0.000 2.339 427 D HA 0.266 4.906 4.640 0.001 0.000 0.241 427 D C -1.863 174.473 176.300 0.059 0.000 1.183 427 D CA -2.184 51.844 54.000 0.047 0.000 0.859 427 D CB 1.318 42.125 40.800 0.012 0.000 1.067 427 D HN 0.064 nan 8.370 nan 0.000 0.484 428 P HA -0.138 nan 4.420 nan 0.000 0.219 428 P C 0.908 178.228 177.300 0.034 0.000 1.146 428 P CA 1.053 64.179 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 -0.885 121.950 122.820 0.026 0.000 1.930 429 A HA -0.134 4.186 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 1.499 53.547 52.037 0.020 0.000 0.627 429 A CB -1.298 17.709 19.000 0.013 0.000 0.815 429 A HN 0.181 nan 8.150 nan 0.000 0.443 430 I N -2.171 118.395 120.570 -0.006 0.000 2.810 430 I HA 0.214 4.385 4.170 0.001 0.000 0.262 430 I C 1.121 177.205 176.117 -0.056 0.000 1.131 430 I CA 0.876 62.156 61.300 -0.033 0.000 1.453 430 I CB 0.244 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 2.349 125.145 122.820 -0.039 0.000 3.156 431 A HA 0.476 4.796 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 50.916 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 0.227 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 3.992 123.825 119.914 -0.137 0.000 2.347 433 V HA 0.261 4.381 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 62.073 62.300 -0.196 0.000 0.847 433 V CB 0.640 32.411 31.823 -0.087 0.000 0.990 433 V HN 0.518 nan 8.190 nan 0.000 0.444 434 R N 3.916 124.112 120.500 -0.506 0.000 2.508 434 R HA 0.273 4.613 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 -0.973 0.000 1.102 434 R CB 0.718 30.282 30.300 -1.228 0.000 1.246 434 R HN 0.902 nan 8.270 nan 0.000 0.539 435 Q N -2.412 117.130 119.800 -0.431 0.000 2.907 435 Q HA 0.370 4.711 4.340 0.001 0.000 0.310 435 Q C -1.375 174.131 176.000 -0.822 0.000 0.861 435 Q CA -0.807 54.547 55.803 -0.747 0.000 0.769 435 Q CB 1.260 29.607 28.738 -0.652 0.000 1.465 435 Q HN -0.077 nan 8.270 nan 0.000 0.449 436 S N -0.533 114.313 115.700 -1.424 0.000 2.998 436 S HA 0.600 5.070 4.470 0.001 0.000 0.307 436 S C -1.065 173.384 174.600 -0.252 0.000 1.063 436 S CA -0.057 57.805 58.200 -0.563 0.000 0.895 436 S CB 1.050 64.135 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 4.968 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 52.525 53.050 0.064 0.000 0.812 437 N CB -0.687 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 0.313 121.577 121.223 0.068 0.000 1.989 438 L HA -0.006 4.334 4.340 0.001 0.000 0.211 438 L C 1.542 178.420 176.870 0.014 0.000 1.071 438 L CA 1.823 56.710 54.840 0.079 0.000 0.749 438 L CB -0.691 41.401 42.059 0.054 0.000 0.890 438 L HN 0.710 nan 8.230 nan 0.000 0.431 439 C N 0.321 119.496 119.300 -0.208 0.000 2.693 439 C HA 0.363 4.823 4.460 0.001 0.000 0.286 439 C C 1.021 175.449 174.990 -0.935 0.000 1.277 439 C CA -0.908 57.628 59.018 -0.803 0.000 1.705 439 C CB -1.119 26.199 27.740 -0.702 0.000 1.879 439 C HN 0.565 nan 8.230 nan 0.000 0.607 440 L N 2.127 123.126 121.223 -0.372 0.000 3.865 440 L HA -0.180 4.161 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 -1.662 40.263 42.059 -0.223 0.000 1.971 440 L HN 0.684 nan 8.230 nan 0.000 0.899 441 E N -1.127 118.954 120.200 -0.199 0.000 2.485 441 E HA 0.100 4.450 4.350 0.001 0.000 0.213 441 E C 0.831 177.379 176.600 -0.085 0.000 0.923 441 E CA -0.110 56.205 56.400 -0.140 0.000 1.054 441 E CB 0.617 30.216 29.700 -0.169 0.000 1.077 441 E HN 0.423 nan 8.360 nan 0.000 0.509 442 I N 2.171 122.691 120.570 -0.084 0.000 2.440 442 I HA 0.466 4.636 4.170 0.001 0.000 0.294 442 I C -0.045 176.032 176.117 -0.068 0.000 0.995 442 I CA -0.581 60.683 61.300 -0.059 0.000 1.306 442 I CB 1.224 39.187 38.000 -0.061 0.000 1.407 442 I HN 0.133 nan 8.210 nan 0.000 0.501 443 A N 7.957 130.756 122.820 -0.035 0.000 2.684 443 A HA 0.698 5.018 4.320 0.001 0.000 0.289 443 A C -0.972 176.609 177.584 -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 2.349 123.516 121.223 -0.094 0.000 2.354 444 L HA 0.651 4.992 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 2.858 44.867 42.059 -0.083 0.000 1.339 444 L HN 0.375 nan 8.230 nan 0.000 0.420 445 P HA 0.265 nan 4.420 nan 0.000 0.275 445 P C -0.974 176.184 177.300 -0.236 0.000 1.228 445 P CA -0.202 62.654 63.100 -0.408 0.000 0.786 445 P CB 1.064 32.428 31.700 -0.559 0.000 0.927 446 T N -1.199 113.243 114.554 -0.187 0.000 2.894 446 T HA 0.654 5.004 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 1.851 70.648 68.868 -0.118 0.000 1.192 446 T HN 0.242 nan 8.240 nan 0.000 0.491 447 K N 1.690 122.064 120.400 -0.043 0.000 2.443 447 K HA 0.592 4.913 4.320 0.001 0.000 0.252 447 K C -2.952 173.644 176.600 -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 0.064 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 2.873 124.110 121.223 0.023 0.000 2.375 449 L HA 0.386 4.727 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 0.316 42.398 42.059 0.039 0.000 1.212 449 L HN 0.250 nan 8.230 nan 0.000 0.451 450 N N -0.066 118.652 118.700 0.029 0.000 2.197 450 N HA 0.113 4.854 4.740 0.001 0.000 0.201 450 N C -0.789 174.740 175.510 0.032 0.000 1.148 450 N CA 0.245 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 -0.901 119.520 120.400 0.036 0.000 2.663 451 D HA 0.024 4.664 4.640 0.001 0.000 0.233 451 D C 1.073 177.397 176.300 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 1.902 121.841 119.914 0.042 0.000 2.282 452 V HA -0.199 3.921 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 1.488 63.812 62.300 0.040 0.000 1.032 452 V CB -0.626 31.216 31.823 0.032 0.000 0.645 452 V HN 0.533 nan 8.190 nan 0.000 0.447 453 N N 0.109 118.826 118.700 0.029 0.000 2.314 453 N HA 0.054 4.795 4.740 0.001 0.000 0.200 453 N C 0.344 175.872 175.510 0.030 0.000 1.135 453 N CA 0.086 53.152 53.050 0.026 0.000 0.835 453 N CB -0.423 38.076 38.487 0.020 0.000 0.989 453 N HN 0.571 nan 8.380 nan 0.000 0.478 454 D N 1.647 122.066 120.400 0.033 0.000 2.520 454 D HA -0.079 4.561 4.640 0.001 0.000 0.243 454 D C 0.816 177.139 176.300 0.038 0.000 1.160 454 D CA 0.557 54.576 54.000 0.033 0.000 0.877 454 D CB 0.731 41.550 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 4.313 4.350 0.001 0.000 0.193 455 E C 0.432 177.066 176.600 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 0.039 4.780 4.740 0.001 0.000 0.192 456 N C 0.405 175.936 175.510 0.034 0.000 1.109 456 N CA 0.045 53.117 53.050 0.035 0.000 0.855 456 N CB 0.933 39.429 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 0.425 4.386 3.960 0.001 0.000 0.304 457 G HA3 0.425 4.386 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 -0.494 119.739 120.200 0.056 0.000 2.287 458 E HA 0.383 4.733 4.350 0.001 0.000 0.274 458 E C -1.276 175.347 176.600 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 31.466 29.700 0.104 0.000 1.244 458 E HN 0.316 nan 8.360 nan 0.000 0.408 459 I N 3.387 123.984 120.570 0.046 0.000 2.355 459 I HA 0.419 4.589 4.170 0.001 0.000 0.288 459 I C 0.168 176.284 176.117 -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 7.994 130.789 122.820 -0.041 0.000 2.440 460 A HA 0.708 5.028 4.320 0.001 0.000 0.251 460 A C -0.537 177.011 177.584 -0.059 0.000 1.089 460 A CA 0.039 52.048 52.037 -0.048 0.000 0.779 460 A CB 0.336 19.288 19.000 -0.078 0.000 1.022 460 A HN 0.705 nan 8.150 nan 0.000 0.492 461 L N 1.055 122.264 121.223 -0.025 0.000 2.371 461 L HA 0.636 4.976 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 54.184 54.840 -0.023 0.000 0.818 461 L CB 2.305 44.394 42.059 0.049 0.000 1.354 461 L HN 0.758 nan 8.230 nan 0.000 0.415 462 C N 0.667 119.964 119.300 -0.006 0.000 2.551 462 C HA 0.634 5.094 4.460 0.001 0.000 0.332 462 C C -0.115 174.881 174.990 0.010 0.000 1.139 462 C CA -0.211 58.811 59.018 0.007 0.000 1.328 462 C CB 1.586 29.324 27.740 -0.004 0.000 1.903 462 C HN 0.843 nan 8.230 nan 0.000 0.459 463 T N 6.898 121.462 114.554 0.017 0.000 2.771 463 T HA 0.571 4.921 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 62.004 62.100 0.011 0.000 1.045 463 T CB 0.521 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 1.665 122.882 121.223 -0.009 0.000 2.286 464 L HA 0.920 5.260 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 -0.929 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 2.663 465 S HA 0.799 5.269 4.470 0.001 0.000 0.264 465 S C -1.879 172.637 174.600 -0.140 0.000 1.112 465 S CA -0.108 58.050 58.200 -0.069 0.000 0.823 465 S CB 1.701 64.856 63.200 -0.075 0.000 1.111 465 S HN 0.981 nan 8.310 nan 0.000 0.476 466 A N 0.559 123.280 122.820 -0.165 0.000 2.612 466 A HA 0.787 5.108 4.320 0.001 0.000 0.293 466 A C -2.190 175.285 177.584 -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 1.604 121.560 119.950 0.009 0.000 2.404 467 F HA 0.407 4.934 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 -0.944 57.047 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 4.142 122.976 118.700 0.224 0.000 2.415 468 N HA 0.111 4.851 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 0.142 53.297 53.050 0.176 0.000 0.945 468 N CB 0.389 38.982 38.487 0.177 0.000 1.196 468 N HN 0.697 nan 8.380 nan 0.000 0.499 469 L N 1.955 123.242 121.223 0.108 0.000 2.450 469 L HA 0.012 4.353 4.340 0.001 0.000 0.224 469 L C 1.923 178.916 176.870 0.206 0.000 1.149 469 L CA 0.894 55.743 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 0.174 4.134 3.960 0.001 0.000 0.209 470 G HA3 0.174 4.134 3.960 0.001 0.000 0.209 470 G C 1.212 176.296 174.900 0.308 0.000 1.165 470 G CA 0.563 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 0.285 123.225 122.820 0.200 0.000 2.470 471 A HA 0.580 4.900 4.320 0.001 0.000 0.251 471 A C 0.691 178.313 177.584 0.063 0.000 1.245 471 A CA -0.322 51.796 52.037 0.134 0.000 0.932 471 A CB -0.187 18.893 19.000 0.133 0.000 1.037 471 A HN 0.490 nan 8.150 nan 0.000 0.522 472 I N -4.225 116.383 120.570 0.063 0.000 2.493 472 I HA 0.455 4.625 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 60.387 61.300 0.013 0.000 1.137 472 I CB 1.318 39.301 38.000 -0.028 0.000 1.310 472 I HN -0.085 nan 8.210 nan 0.000 0.445 473 N N 3.568 122.269 118.700 0.001 0.000 2.197 473 N HA -0.038 4.702 4.740 0.001 0.000 0.184 473 N C -0.120 175.404 175.510 0.024 0.000 1.030 473 N CA 1.054 54.105 53.050 0.002 0.000 0.851 473 N CB -0.017 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 -0.903 117.803 118.700 0.011 0.000 2.321 474 N HA 0.270 5.010 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 4.268 4.340 0.001 0.000 0.220 475 L C 0.536 177.433 176.870 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 0.040 120.466 120.400 0.044 0.000 2.363 476 D HA -0.096 4.544 4.640 0.001 0.000 0.226 476 D C 1.708 177.865 176.300 -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 0.172 120.249 120.200 -0.205 0.000 2.274 477 E HA -0.016 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 0.110 56.370 56.400 -0.235 0.000 0.840 477 E CB 0.163 29.764 29.700 -0.165 0.000 0.772 477 E HN 0.304 nan 8.360 nan 0.000 0.491 478 L N 0.936 121.880 121.223 -0.464 0.000 2.275 478 L HA -0.159 4.182 4.340 0.001 0.000 0.215 478 L C 2.498 178.931 176.870 -0.730 0.000 1.119 478 L CA 0.808 55.277 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 4.073 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 1.771 57.639 56.400 -0.887 0.000 0.809 479 E CB 0.132 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 0.588 120.614 120.200 -0.289 0.000 2.051 480 E HA -0.175 4.176 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 1.236 57.544 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 0.240 121.371 121.223 -0.153 0.000 2.046 481 L HA -0.200 4.140 4.340 0.001 0.000 0.208 481 L C 2.459 179.420 176.870 0.152 0.000 1.077 481 L CA 1.114 55.926 54.840 -0.046 0.000 0.747 481 L CB -0.536 41.383 42.059 -0.232 0.000 0.896 481 L HN 0.186 nan 8.230 nan 0.000 0.432 482 A N 0.302 123.144 122.820 0.036 0.000 1.898 482 A HA -0.165 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 1.323 53.502 52.037 0.237 0.000 0.620 482 A CB -0.595 18.486 19.000 0.137 0.000 0.819 482 A HN 0.316 nan 8.150 nan 0.000 0.442 483 I N -0.562 120.069 120.570 0.102 0.000 2.091 483 I HA -0.286 3.884 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 1.188 62.571 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 4.132 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 2.279 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 -0.940 122.095 122.820 0.358 0.000 1.858 485 A HA -0.159 4.161 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 2.064 54.259 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 -0.129 119.844 119.914 0.098 0.000 2.261 486 V HA -0.275 3.845 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 2.320 64.634 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 4.191 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 1.600 57.633 56.100 -0.112 0.000 0.959 487 R CB -0.645 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 0.944 123.465 122.820 -0.497 0.000 1.902 488 A HA -0.117 4.203 4.320 0.001 0.000 0.217 488 A C 2.136 179.425 177.584 -0.491 0.000 1.181 488 A CA 1.179 52.709 52.037 -0.845 0.000 0.623 488 A CB -0.488 17.970 19.000 -0.904 0.000 0.818 488 A HN 0.188 nan 8.150 nan 0.000 0.443 489 L N -0.909 120.163 121.223 -0.252 0.000 2.156 489 L HA -0.131 4.209 4.340 0.001 0.000 0.208 489 L C 2.279 179.062 176.870 -0.146 0.000 1.095 489 L CA 1.544 56.285 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 0.349 120.660 120.400 -0.148 0.000 2.144 490 D HA -0.160 4.481 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 1.234 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 0.022 122.709 122.820 -0.221 0.000 1.902 491 A HA -0.096 4.225 4.320 0.001 0.000 0.217 491 A C 2.093 179.587 177.584 -0.149 0.000 1.181 491 A CA 1.117 53.022 52.037 -0.220 0.000 0.623 491 A CB -0.867 17.887 19.000 -0.409 0.000 0.818 491 A HN 0.376 nan 8.150 nan 0.000 0.443 492 L N 0.078 121.188 121.223 -0.189 0.000 2.079 492 L HA -0.149 4.191 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 56.452 54.840 -0.088 0.000 0.752 492 L CB -0.550 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 -0.755 120.499 121.223 0.051 0.000 2.127 493 L HA -0.219 4.121 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 1.295 56.218 54.840 0.139 0.000 0.757 493 L CB -0.797 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 -1.719 118.754 120.400 0.122 0.000 2.333 494 D HA -0.120 4.521 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 0.612 54.688 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 2.049 122.369 120.300 0.033 0.000 2.269 495 Y HA -0.029 4.521 4.550 0.001 0.000 0.294 495 Y C 1.234 177.196 175.900 0.104 0.000 1.120 495 Y CA 0.553 58.678 58.100 0.042 0.000 1.159 495 Y CB 0.095 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 0.187 4.528 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 0.762 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 0.121 120.309 120.400 -0.353 0.000 2.229 497 D HA 0.286 4.926 4.640 0.001 0.000 0.249 497 D C -1.323 174.659 176.300 -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 1.123 121.409 120.300 -0.023 0.000 2.376 498 Y HA 0.241 4.791 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 1.033 32.539 31.700 -0.324 0.000 0.788 500 I N 0.013 120.576 120.570 -0.012 0.000 2.447 500 I HA 0.237 4.407 4.170 0.001 0.000 0.287 500 I C -1.662 174.503 176.117 0.082 0.000 1.023 500 I CA -2.703 58.617 61.300 0.033 0.000 1.083 500 I CB 2.469 40.501 38.000 0.054 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 1.987 65.109 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 4.165 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 2.317 54.396 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 -0.612 122.275 122.820 0.112 0.000 1.897 503 A HA -0.069 4.251 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 1.636 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 -0.361 119.961 120.400 -0.130 0.000 2.032 504 K HA -0.186 4.134 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 -0.402 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 4.181 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 29.542 30.300 0.080 0.000 0.860 505 R HN 0.406 nan 8.270 nan 0.000 0.438 506 G N 0.126 108.818 108.800 -0.180 0.000 2.402 506 G HA2 -0.188 3.772 3.960 0.001 0.000 0.216 506 G HA3 -0.188 3.772 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 0.796 45.803 45.100 -0.155 0.000 0.777 506 G HN 0.439 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 0.053 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 1.915 53.841 52.037 -0.186 0.000 0.616 507 A CB -0.300 18.627 19.000 -0.122 0.000 0.823 507 A HN 0.291 nan 8.150 nan 0.000 0.442 508 M N -0.494 118.866 119.600 -0.400 0.000 2.254 508 M HA -0.021 4.459 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 1.275 56.351 55.300 -0.373 0.000 1.123 508 M CB -1.719 30.668 32.600 -0.356 0.000 1.388 508 M HN 0.467 nan 8.290 nan 0.000 0.425 509 G N 1.016 109.304 108.800 -0.854 0.000 2.414 509 G HA2 -0.169 3.792 3.960 0.001 0.000 0.215 509 G HA3 -0.169 3.792 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 44.537 45.100 -1.439 0.000 0.783 509 G HN 0.475 nan 8.290 nan 0.000 0.537 510 R N -0.693 119.640 120.500 -0.278 0.000 2.373 510 R HA 0.263 4.604 4.340 0.001 0.000 0.221 510 R C 0.364 176.693 176.300 0.048 0.000 0.893 510 R CA -0.374 55.758 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 2.224 122.700 120.500 -0.040 0.000 3.225 511 R HA -0.128 4.212 4.340 0.001 0.000 0.245 511 R C -0.520 175.798 176.300 0.031 0.000 0.928 511 R CA 1.085 57.175 56.100 -0.017 0.000 0.632 511 R CB -2.114 28.167 30.300 -0.032 0.000 1.038 511 R HN 0.388 nan 8.270 nan 0.000 0.461 512 T N -1.249 113.340 114.554 0.059 0.000 2.884 512 T HA 0.580 4.931 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 -0.678 61.475 62.100 0.089 0.000 1.124 512 T CB 1.565 70.511 68.868 0.131 0.000 0.931 512 T HN 0.242 nan 8.240 nan 0.000 0.531 513 L N 1.753 123.003 121.223 0.044 0.000 2.301 513 L HA 0.806 5.146 4.340 0.001 0.000 0.264 513 L C 0.527 177.406 176.870 0.016 0.000 1.016 513 L CA -1.293 53.557 54.840 0.017 0.000 0.821 513 L CB 2.412 44.469 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 4.561 3.960 0.001 0.000 0.305 514 G HA3 0.601 4.561 3.960 0.001 0.000 0.305 514 G C -0.968 173.905 174.900 -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 1.967 122.499 120.570 -0.065 0.000 2.412 515 I HA 0.698 4.868 4.170 0.001 0.000 0.296 515 I C 0.892 176.937 176.117 -0.121 0.000 0.987 515 I CA -0.471 60.734 61.300 -0.159 0.000 1.180 515 I CB 2.144 39.984 38.000 -0.267 0.000 1.340 515 I HN 0.464 nan 8.210 nan 0.000 0.455 516 G N 4.671 113.390 108.800 -0.136 0.000 3.166 516 G HA2 0.751 4.711 3.960 0.001 0.000 0.267 516 G HA3 0.751 4.711 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 5.011 4.120 0.001 0.000 0.314 517 V C -0.348 175.815 176.094 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 -0.859 119.798 120.570 0.146 0.000 3.042 518 I HA 0.744 4.915 4.170 0.001 0.000 0.310 518 I C 0.271 176.527 176.117 0.233 0.000 1.117 518 I CA -0.771 60.635 61.300 0.177 0.000 1.003 518 I CB 2.213 40.302 38.000 0.149 0.000 1.228 518 I HN 0.719 nan 8.210 nan 0.000 0.443 519 N N 0.812 119.680 118.700 0.279 0.000 2.829 519 N HA -0.244 4.497 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 -1.092 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 0.964 121.067 119.950 0.254 0.000 2.095 520 F HA -0.054 4.474 4.527 0.001 0.000 0.298 520 F C 2.230 178.230 175.800 0.333 0.000 1.104 520 F CA 2.229 60.381 58.000 0.254 0.000 1.232 520 F CB -0.754 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 -0.413 122.664 122.820 0.428 0.000 1.873 521 A HA -0.308 4.012 4.320 0.001 0.000 0.218 521 A C 2.183 179.947 177.584 0.301 0.000 1.193 521 A CA 1.949 54.223 52.037 0.394 0.000 0.629 521 A CB -1.832 17.509 19.000 0.569 0.000 0.826 521 A HN 0.587 nan 8.150 nan 0.000 0.447 522 Y N -0.964 119.505 120.300 0.281 0.000 2.128 522 Y HA -0.306 4.245 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 1.815 60.011 58.100 0.160 0.000 1.149 522 Y CB -1.101 37.512 38.460 0.255 0.000 0.976 522 Y HN 0.459 nan 8.280 nan 0.000 0.505 523 Y N 0.291 120.511 120.300 -0.133 0.000 2.081 523 Y HA -0.314 4.237 4.550 0.001 0.000 0.280 523 Y C 2.294 178.073 175.900 -0.201 0.000 1.163 523 Y CA 2.336 60.314 58.100 -0.203 0.000 1.135 523 Y CB -0.672 37.742 38.460 -0.077 0.000 0.970 523 Y HN 0.173 nan 8.280 nan 0.000 0.498 524 L N -0.488 120.575 121.223 -0.268 0.000 2.083 524 L HA -0.240 4.100 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 1.186 55.794 54.840 -0.386 0.000 0.752 524 L CB -1.269 40.470 42.059 -0.534 0.000 0.899 524 L HN 0.405 nan 8.230 nan 0.000 0.433 525 A N 1.443 124.080 122.820 -0.305 0.000 1.883 525 A HA -0.230 4.090 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 2.036 53.850 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 -1.201 118.924 120.400 -0.459 0.000 2.504 526 K HA -0.095 4.225 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 1.517 57.507 56.287 -0.494 0.000 0.984 526 K CB -0.336 31.785 32.500 -0.631 0.000 0.788 526 K HN 0.617 nan 8.250 nan 0.000 0.488 527 H N 0.113 118.941 119.070 -0.403 0.000 2.542 527 H HA 0.221 4.778 4.556 0.001 0.000 0.283 527 H C 0.494 175.667 175.328 -0.258 0.000 1.059 527 H CA 0.372 56.210 56.048 -0.351 0.000 1.162 527 H CB 1.086 30.574 29.762 -0.458 0.000 1.539 527 H HN 0.487 nan 8.280 nan 0.000 0.543 528 G N 1.649 110.352 108.800 -0.163 0.000 2.305 528 G HA2 -0.291 3.670 3.960 0.001 0.000 0.287 528 G HA3 -0.291 3.670 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 45.208 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 0.699 5.019 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 1.865 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 4.716 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 2.601 178.561 175.900 0.101 0.000 1.119 531 Y CA 1.722 59.890 58.100 0.114 0.000 1.162 531 Y CB 0.202 38.761 38.460 0.166 0.000 1.046 531 Y HN 0.617 nan 8.280 nan 0.000 0.538 532 S N -0.496 115.357 115.700 0.256 0.000 2.461 532 S HA -0.108 4.362 4.470 0.001 0.000 0.228 532 S C 1.065 175.732 174.600 0.112 0.000 1.005 532 S CA 1.105 59.406 58.200 0.168 0.000 0.942 532 S CB -0.405 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 -0.101 120.351 120.400 0.087 0.000 2.349 533 D HA 0.334 4.974 4.640 0.001 0.000 0.214 533 D C 1.375 177.698 176.300 0.038 0.000 1.063 533 D CA 0.495 54.529 54.000 0.057 0.000 0.847 533 D CB -0.409 40.419 40.800 0.046 0.000 0.933 533 D HN 0.507 nan 8.370 nan 0.000 0.513 534 G N 0.493 109.314 108.800 0.034 0.000 2.175 534 G HA2 -0.362 3.598 3.960 0.001 0.000 0.244 534 G HA3 -0.362 3.598 3.960 0.001 0.000 0.244 534 G C 1.213 176.110 174.900 -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 -0.330 115.368 115.700 -0.003 0.000 2.469 535 S HA 0.378 4.848 4.470 0.001 0.000 0.238 535 S C 2.148 176.726 174.600 -0.036 0.000 0.998 535 S CA 1.434 59.622 58.200 -0.019 0.000 0.957 535 S CB -0.031 63.158 63.200 -0.020 0.000 0.764 535 S HN 1.756 nan 8.310 nan 0.000 0.514 536 A N 0.847 123.643 122.820 -0.040 0.000 2.348 536 A HA 0.349 4.669 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 0.029 52.036 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 4.542 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 1.992 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 4.644 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 0.408 53.477 53.050 0.032 0.000 0.856 538 N CB -0.519 37.962 38.487 -0.010 0.000 0.993 538 N HN 0.214 nan 8.380 nan 0.000 0.426 539 L N 1.165 122.409 121.223 0.035 0.000 2.046 539 L HA -0.058 4.282 4.340 0.001 0.000 0.208 539 L C 1.865 178.819 176.870 0.139 0.000 1.077 539 L CA 1.762 56.614 54.840 0.020 0.000 0.747 539 L CB -1.241 40.764 42.059 -0.091 0.000 0.896 539 L HN 0.041 nan 8.230 nan 0.000 0.432 540 T N -0.978 113.706 114.554 0.216 0.000 2.746 540 T HA -0.224 4.126 4.350 0.001 0.000 0.267 540 T C 1.839 176.757 174.700 0.365 0.000 1.039 540 T CA 1.556 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 2.352 541 H HA -0.031 4.526 4.556 0.001 0.000 0.299 541 H C 2.423 177.791 175.328 0.067 0.000 1.097 541 H CA 1.836 57.991 56.048 0.178 0.000 1.311 541 H CB -0.151 29.672 29.762 0.103 0.000 1.377 541 H HN 0.325 nan 8.280 nan 0.000 0.504 542 K N -0.118 120.393 120.400 0.185 0.000 2.026 542 K HA -0.110 4.210 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 1.907 58.167 56.287 -0.045 0.000 0.929 542 K CB -0.025 32.395 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 -0.107 4.243 4.350 0.001 0.000 0.267 543 T C 1.575 176.077 174.700 -0.330 0.000 1.039 543 T CA 1.468 63.495 62.100 -0.122 0.000 1.142 543 T CB -0.306 68.513 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 4.676 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 0.358 58.196 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 0.677 120.333 120.200 -0.905 0.000 2.072 545 E HA -0.208 4.142 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 1.043 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 1.494 124.173 122.820 -0.235 0.000 1.865 546 A HA -0.206 4.115 4.320 0.001 0.000 0.217 546 A C 2.228 179.670 177.584 -0.237 0.000 1.191 546 A CA 1.579 53.428 52.037 -0.312 0.000 0.623 546 A CB -0.802 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 -0.996 119.468 120.570 -0.176 0.000 2.127 547 I HA -0.324 3.846 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 63.312 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 0.096 119.935 119.800 0.065 0.000 2.079 548 Q HA -0.259 4.081 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 1.789 57.709 55.803 0.194 0.000 0.840 548 Q CB -0.551 28.460 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 -0.314 4.237 4.550 0.001 0.000 0.280 549 Y C 1.591 177.116 175.900 -0.625 0.000 1.148 549 Y CA 2.151 59.748 58.100 -0.838 0.000 1.125 549 Y CB -0.581 37.123 38.460 -1.261 0.000 0.975 549 Y HN 0.198 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 4.358 4.550 0.001 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 2.056 551 L HA -0.223 4.118 4.340 0.001 0.000 0.207 551 L C 2.219 179.035 176.870 -0.089 0.000 1.078 551 L CA 1.104 55.956 54.840 0.020 0.000 0.749 551 L CB -0.579 41.534 42.059 0.090 0.000 0.901 551 L HN 0.223 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 4.099 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 1.228 55.924 54.840 -0.239 0.000 0.749 552 L CB -0.438 41.479 42.059 -0.237 0.000 0.901 552 L HN 0.221 nan 8.230 nan 0.000 0.433 553 K N 0.216 120.373 120.400 -0.405 0.000 2.020 553 K HA -0.234 4.086 4.320 0.001 0.000 0.212 553 K C 2.157 178.654 176.600 -0.172 0.000 1.050 553 K CA 1.679 57.762 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 0.078 122.834 122.820 -0.108 0.000 1.865 554 A HA -0.208 4.112 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 54.307 52.037 -0.042 0.000 0.623 554 A CB -1.072 17.937 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 4.277 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 -0.587 62.541 63.200 -0.120 0.000 0.867 555 S HN 0.746 nan 8.310 nan 0.000 0.449 556 N N 0.326 118.934 118.700 -0.153 0.000 2.069 556 N HA -0.156 4.584 4.740 0.001 0.000 0.191 556 N C 1.508 176.937 175.510 -0.133 0.000 1.031 556 N CA 1.325 54.284 53.050 -0.151 0.000 0.852 556 N CB -0.155 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 1.142 121.273 120.200 -0.115 0.000 2.058 557 E HA -0.183 4.167 4.350 0.001 0.000 0.194 557 E C 2.042 178.589 176.600 -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 0.951 122.131 121.223 -0.071 0.000 2.079 558 L HA -0.129 4.212 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 -1.000 121.747 122.820 -0.120 0.000 1.930 559 A HA -0.206 4.114 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 1.666 53.623 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 -0.600 119.721 120.400 -0.131 0.000 2.009 560 K HA -0.223 4.097 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 -0.183 32.159 32.500 -0.263 0.000 0.714 560 K HN 0.723 nan 8.250 nan 0.000 0.440 561 E N 0.699 120.837 120.200 -0.104 0.000 2.047 561 E HA -0.198 4.153 4.350 0.001 0.000 0.191 561 E C 1.328 177.868 176.600 -0.101 0.000 0.987 561 E CA 1.299 57.642 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 -0.986 118.752 119.800 -0.104 0.000 2.164 562 Q HA 0.258 4.598 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 55.915 55.803 -0.104 0.000 0.978 562 Q CB 2.132 30.797 28.738 -0.123 0.000 1.149 562 Q HN 0.310 nan 8.270 nan 0.000 0.489 563 G N 1.275 110.026 108.800 -0.082 0.000 2.785 563 G HA2 0.007 3.967 3.960 0.001 0.000 0.686 563 G HA3 0.007 3.967 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 44.533 45.100 -0.074 0.000 0.760 563 G HN 0.305 nan 8.290 nan 0.000 0.624 564 A N 1.138 123.883 122.820 -0.124 0.000 2.366 564 A HA 0.645 4.966 4.320 0.001 0.000 0.250 564 A C 1.633 179.175 177.584 -0.071 0.000 1.099 564 A CA 0.545 52.473 52.037 -0.181 0.000 0.794 564 A CB -0.232 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 4.857 4.460 0.001 0.000 0.420 565 C C -1.073 173.974 174.990 0.096 0.000 1.314 565 C CA -1.079 57.955 59.018 0.025 0.000 1.963 565 C CB -0.296 27.482 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 0.646 178.150 177.300 0.339 0.000 1.165 566 P CA 2.001 65.153 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 -1.522 119.845 121.300 0.112 0.000 3.285 567 W HA 0.283 4.943 4.660 0.000 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 -1.975 27.536 29.460 0.085 0.000 0.961 567 W HN -0.039 nan 8.180 nan 0.000 0.832 568 F N 2.983 123.076 119.950 0.239 0.000 2.216 568 F HA -0.253 4.274 4.527 0.000 0.000 0.300 568 F C 2.174 178.067 175.800 0.156 0.000 1.085 568 F CA 1.891 59.992 58.000 0.167 0.000 1.326 568 F CB -0.275 38.786 39.000 0.102 0.000 1.027 568 F HN -0.010 nan 8.300 nan 0.000 0.497 569 N N 0.650 119.398 118.700 0.081 0.000 2.519 569 N HA -0.212 4.528 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 1.436 54.471 53.050 -0.025 0.000 0.910 569 N CB -0.765 37.762 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 4.354 4.350 0.001 0.000 0.193 570 E C 0.232 176.874 176.600 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 -1.761 112.735 114.554 -0.097 0.000 2.918 571 T HA 0.116 4.467 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 61.641 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 4.276 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 62.533 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 2.411 122.597 120.300 -0.190 0.000 2.165 573 Y HA 0.053 4.604 4.550 0.000 0.000 0.286 573 Y C 3.052 178.904 175.900 -0.081 0.000 1.155 573 Y CA 0.528 58.582 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 0.082 122.726 122.820 -0.294 0.000 1.986 574 A HA -0.228 4.092 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 1.834 53.713 52.037 -0.262 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 4.564 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 1.941 110.791 108.800 0.083 0.000 2.148 576 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 576 G HA3 -0.258 3.702 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 -0.144 45.022 45.100 0.110 0.000 0.670 576 G HN 0.278 nan 8.290 nan 0.000 0.528 577 I N 0.802 121.391 120.570 0.032 0.000 2.428 577 I HA 0.530 4.700 4.170 0.001 0.000 0.289 577 I C 0.781 176.870 176.117 -0.046 0.000 1.019 577 I CA -0.518 60.770 61.300 -0.020 0.000 1.351 577 I CB 1.142 39.093 38.000 -0.081 0.000 1.412 577 I HN -0.038 nan 8.210 nan 0.000 0.513 578 L N 6.962 128.186 121.223 0.002 0.000 2.301 578 L HA 0.422 4.763 4.340 0.001 0.000 0.264 578 L C -1.610 175.242 176.870 -0.030 0.000 1.016 578 L CA -1.657 53.212 54.840 0.048 0.000 0.821 578 L CB 2.029 44.224 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 64.652 63.100 -0.003 0.000 0.858 579 P CB -0.092 31.636 31.700 0.046 0.000 0.789 580 I N -3.347 117.128 120.570 -0.158 0.000 3.010 580 I HA -0.096 4.074 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 4.636 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 41.226 40.800 -0.036 0.000 0.984 581 D HN 0.549 nan 8.370 nan 0.000 0.508 582 T N -1.743 112.785 114.554 -0.044 0.000 3.084 582 T HA 0.089 4.440 4.350 0.001 0.000 0.270 582 T C 0.818 175.393 174.700 -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 68.306 68.868 0.112 0.000 1.084 582 T HN 0.098 nan 8.240 nan 0.000 0.538 583 Y N 1.534 121.573 120.300 -0.436 0.000 2.459 583 Y HA 0.545 5.095 4.550 0.001 0.000 0.349 583 Y C 0.446 176.019 175.900 -0.544 0.000 1.266 583 Y CA -1.855 55.698 58.100 -0.911 0.000 1.483 583 Y CB 0.435 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 2.284 122.474 120.400 -0.348 0.000 2.378 584 K HA 0.087 4.407 4.320 0.001 0.000 0.288 584 K C 0.464 176.995 176.600 -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 2.542 122.803 120.400 -0.231 0.000 2.160 585 K HA -0.196 4.124 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 2.152 58.359 56.287 -0.133 0.000 0.930 585 K CB 0.001 32.394 32.500 -0.179 0.000 0.720 585 K HN 0.703 nan 8.250 nan 0.000 0.450 586 D N 0.756 121.166 120.400 0.017 0.000 2.203 586 D HA -0.202 4.438 4.640 0.001 0.000 0.199 586 D C 1.499 177.940 176.300 0.236 0.000 0.997 586 D CA 0.887 54.938 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 0.679 122.046 121.223 0.240 0.000 2.137 587 L HA -0.232 4.109 4.340 0.001 0.000 0.213 587 L C 1.675 178.593 176.870 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 -0.624 119.852 120.400 0.126 0.000 2.158 588 D HA -0.193 4.447 4.640 0.001 0.000 0.197 588 D C 2.160 178.486 176.300 0.044 0.000 0.995 588 D CA 1.978 56.023 54.000 0.075 0.000 0.846 588 D CB -0.268 40.590 40.800 0.096 0.000 0.941 588 D HN 0.432 nan 8.370 nan 0.000 0.456 589 T N -1.093 113.506 114.554 0.075 0.000 3.035 589 T HA -0.080 4.270 4.350 0.001 0.000 0.268 589 T C 1.847 176.573 174.700 0.042 0.000 1.109 589 T CA 0.657 62.798 62.100 0.068 0.000 1.119 589 T CB -0.434 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 -1.989 118.582 120.570 0.001 0.000 4.154 590 I HA 0.767 4.938 4.170 0.001 0.000 0.334 590 I C 0.319 176.385 176.117 -0.086 0.000 1.371 590 I CA -1.059 60.197 61.300 -0.073 0.000 1.110 590 I CB 0.389 38.247 38.000 -0.237 0.000 1.085 590 I HN 0.235 nan 8.210 nan 0.000 0.398 591 A N 2.366 125.144 122.820 -0.070 0.000 2.488 591 A HA 0.534 4.854 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 0.842 19.801 19.000 -0.068 0.000 1.271 591 A HN 0.316 nan 8.150 nan 0.000 0.400 592 N N 1.300 119.929 118.700 -0.119 0.000 2.171 592 N HA 0.051 4.791 4.740 0.001 0.000 0.212 592 N C -0.020 175.395 175.510 -0.159 0.000 1.184 592 N CA -0.135 52.846 53.050 -0.116 0.000 0.888 592 N CB 0.567 39.017 38.487 -0.062 0.000 1.038 592 N HN 0.677 nan 8.380 nan 0.000 0.517 593 E N 3.491 123.549 120.200 -0.237 0.000 2.452 593 E HA 0.134 4.485 4.350 0.001 0.000 0.261 593 E C -2.126 174.312 176.600 -0.271 0.000 0.987 593 E CA -1.148 55.123 56.400 -0.215 0.000 0.926 593 E CB 0.731 30.300 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 0.279 0.000 1.258 594 P CA -0.351 62.800 63.100 0.086 0.000 0.811 594 P CB 0.643 32.392 31.700 0.082 0.000 1.063 595 L N 1.829 123.219 121.223 0.279 0.000 2.380 595 L HA 0.175 4.515 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 -0.031 55.035 54.840 0.377 0.000 0.832 595 L CB -0.041 42.219 42.059 0.335 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 4.703 4.556 0.001 0.000 0.269 596 H C -0.625 174.367 175.328 -0.560 0.000 0.998 596 H CA -0.210 55.679 56.048 -0.265 0.000 1.193 596 H CB 0.600 30.127 29.762 -0.390 0.000 1.485 596 H HN 0.406 nan 8.280 nan 0.000 0.521 597 Y N 0.654 120.921 120.300 -0.055 0.000 2.528 597 Y HA 0.124 4.675 4.550 0.001 0.000 0.335 597 Y C 0.295 176.007 175.900 -0.312 0.000 1.093 597 Y CA -1.287 56.486 58.100 -0.545 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 1.422 121.698 120.400 -0.207 0.000 2.416 598 D HA 0.006 4.647 4.640 0.001 0.000 0.240 598 D C -0.092 176.299 176.300 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 1.747 123.161 121.300 0.191 0.000 2.476 599 W HA -0.022 4.638 4.660 0.000 0.000 0.281 599 W C 2.057 178.689 176.519 0.188 0.000 1.230 599 W CA -0.002 57.489 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 0.109 120.513 120.200 0.340 0.000 2.150 600 E HA -0.134 4.216 4.350 0.001 0.000 0.193 600 E C 2.212 178.916 176.600 0.174 0.000 0.985 600 E CA 1.325 57.862 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 4.171 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 18.401 19.000 0.107 0.000 0.822 601 A HN 0.236 nan 8.150 nan 0.000 0.443 602 L N -0.132 121.160 121.223 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 4.125 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 0.129 120.403 120.200 0.122 0.000 2.058 604 E HA -0.174 4.177 4.350 0.001 0.000 0.194 604 E C 1.937 178.585 176.600 0.079 0.000 0.997 604 E CA 1.442 57.897 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 -0.010 115.748 115.700 0.097 0.000 2.382 605 S HA -0.096 4.374 4.470 0.001 0.000 0.228 605 S C 2.097 176.768 174.600 0.120 0.000 1.027 605 S CA 0.713 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 1.092 121.717 120.570 0.093 0.000 2.142 606 I HA -0.183 3.987 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 1.301 62.661 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 0.232 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 4.117 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 32.349 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 4.279 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 -0.253 0.000 1.147 608 T CB -0.150 68.453 68.868 -0.441 0.000 0.865 608 T HN 0.382 nan 8.240 nan 0.000 0.421 609 H N -0.122 118.920 119.070 -0.047 0.000 2.622 609 H HA 0.485 5.041 4.556 0.001 0.000 0.269 609 H C 1.361 176.547 175.328 -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 0.690 109.352 108.800 -0.231 0.000 2.752 610 G HA2 -0.280 3.680 3.960 0.001 0.000 0.234 610 G HA3 -0.280 3.680 3.960 0.001 0.000 0.234 610 G C -0.703 173.734 174.900 -0.771 0.000 1.367 610 G CA -0.388 44.199 45.100 -0.854 0.000 0.879 610 G HN 0.211 nan 8.290 nan 0.000 0.563 611 L N -0.391 120.116 121.223 -1.194 0.000 2.346 611 L HA 0.602 4.942 4.340 0.001 0.000 0.274 611 L C 1.488 178.167 176.870 -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 1.847 122.235 120.500 -0.186 0.000 2.090 612 R HA -0.005 4.336 4.340 0.001 0.000 0.228 612 R C -0.232 176.036 176.300 -0.053 0.000 1.110 612 R CA 1.257 57.287 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 -0.812 117.865 118.700 -0.038 0.000 2.372 613 N HA 0.208 4.948 4.740 0.001 0.000 0.285 613 N C -0.391 175.157 175.510 0.063 0.000 1.008 613 N CA -0.313 52.744 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 -0.053 115.729 115.700 0.137 0.000 2.423 614 S HA -0.057 4.413 4.470 0.001 0.000 0.231 614 S C 0.828 175.464 174.600 0.061 0.000 1.014 614 S CA 0.910 59.207 58.200 0.161 0.000 0.965 614 S CB -0.163 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 5.050 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 1.757 123.013 121.223 0.054 0.000 2.624 616 L HA 0.375 4.715 4.340 0.001 0.000 0.222 616 L C 1.081 177.975 176.870 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 42.558 42.059 0.016 0.000 1.190 616 L HN 0.904 nan 8.230 nan 0.000 0.487 617 S N -0.158 115.583 115.700 0.069 0.000 2.532 617 S HA 0.888 5.358 4.470 0.001 0.000 0.301 617 S C -0.507 174.122 174.600 0.050 0.000 1.083 617 S CA -0.273 57.967 58.200 0.067 0.000 1.025 617 S CB 2.532 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 2.433 125.270 122.820 0.028 0.000 2.518 618 A HA 0.518 4.838 4.320 0.001 0.000 0.295 618 A C -1.146 176.433 177.584 -0.008 0.000 1.052 618 A CA -0.747 51.292 52.037 0.004 0.000 0.824 618 A CB 0.664 19.659 19.000 -0.009 0.000 1.325 618 A HN 0.867 nan 8.150 nan 0.000 0.394 619 L N 4.617 125.828 121.223 -0.019 0.000 2.295 619 L HA 0.473 4.814 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 -0.232 54.594 54.840 -0.023 0.000 0.830 619 L CB 0.786 42.813 42.059 -0.052 0.000 1.200 619 L HN 0.840 nan 8.230 nan 0.000 0.438 620 M N 4.476 124.051 119.600 -0.042 0.000 2.598 620 M HA 0.703 5.183 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 1.358 33.921 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 62.941 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 -1.877 113.872 115.700 0.083 0.000 2.563 622 S HA 0.378 4.848 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 65.204 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 4.549 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 57.552 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 4.288 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 1.366 63.497 62.100 0.053 0.000 1.140 624 T CB -0.303 68.620 68.868 0.092 0.000 0.872 624 T HN 0.191 nan 8.240 nan 0.000 0.446 625 S N 2.475 118.249 115.700 0.123 0.000 2.368 625 S HA -0.107 4.363 4.470 0.001 0.000 0.225 625 S C 2.402 177.067 174.600 0.108 0.000 1.030 625 S CA 1.230 59.526 58.200 0.159 0.000 0.999 625 S CB -0.665 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 2.301 118.052 115.700 0.085 0.000 2.382 626 S HA -0.162 4.309 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 1.060 59.300 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 0.343 120.147 119.800 0.006 0.000 2.096 627 Q HA -0.071 4.269 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 1.049 56.831 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 0.474 121.019 120.570 -0.041 0.000 2.361 628 I HA -0.170 4.001 4.170 0.001 0.000 0.251 628 I C 1.620 177.726 176.117 -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 -0.099 115.514 115.700 -0.144 0.000 2.582 629 S HA 0.094 4.565 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 -0.675 62.378 63.200 -0.246 0.000 0.800 629 S HN 0.534 nan 8.310 nan 0.000 0.471 630 N N 1.279 119.888 118.700 -0.151 0.000 2.669 630 N HA -0.234 4.506 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 0.219 53.220 53.050 -0.082 0.000 0.766 630 N CB -0.967 37.490 38.487 -0.050 0.000 0.898 630 N HN 0.687 nan 8.380 nan 0.000 0.548 631 A N 1.084 123.893 122.820 -0.019 0.000 2.413 631 A HA 0.633 4.953 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 1.191 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 4.616 4.350 0.001 0.000 0.307 632 T C 0.087 174.901 174.700 0.191 0.000 1.059 632 T CA -0.229 61.987 62.100 0.194 0.000 1.122 632 T CB -0.385 68.659 68.868 0.293 0.000 0.972 632 T HN 0.583 nan 8.240 nan 0.000 0.545 633 N N 1.813 120.609 118.700 0.159 0.000 2.497 633 N HA 0.453 5.194 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 0.406 53.546 53.050 0.149 0.000 0.948 633 N CB 0.367 38.927 38.487 0.121 0.000 1.069 633 N HN 1.049 nan 8.380 nan 0.000 0.460 634 G N 2.469 111.369 108.800 0.167 0.000 2.698 634 G HA2 -0.361 3.599 3.960 0.001 0.000 0.346 634 G HA3 -0.361 3.599 3.960 0.001 0.000 0.346 634 G C 0.698 175.742 174.900 0.241 0.000 1.287 634 G CA 1.171 46.370 45.100 0.165 0.000 0.990 634 G HN 0.828 nan 8.290 nan 0.000 0.545 635 I N -1.635 119.076 120.570 0.234 0.000 3.941 635 I HA 0.479 4.649 4.170 0.001 0.000 0.335 635 I C -0.033 176.399 176.117 0.526 0.000 1.402 635 I CA -0.220 61.287 61.300 0.344 0.000 1.112 635 I CB 0.440 38.474 38.000 0.057 0.000 1.043 635 I HN 0.068 nan 8.210 nan 0.000 0.395 636 E N 3.732 124.150 120.200 0.363 0.000 2.313 636 E HA 0.391 4.741 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 -2.183 54.360 56.400 0.239 0.000 0.863 636 E CB 0.576 30.342 29.700 0.109 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 -1.318 61.716 63.100 -0.111 0.000 0.776 637 P CB -0.388 31.007 31.700 -0.508 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 0.049 63.101 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 0.256 120.673 120.500 -0.139 0.000 2.210 639 R HA 0.263 4.604 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 56.775 56.100 -0.133 0.000 1.008 639 R CB 0.094 30.369 30.300 -0.042 0.000 0.923 639 R HN 0.695 nan 8.270 nan 0.000 0.469 640 G N -2.388 106.312 108.800 -0.166 0.000 2.550 640 G HA2 0.148 4.108 3.960 0.001 0.000 0.293 640 G HA3 0.148 4.108 3.960 0.001 0.000 0.293 640 G C -0.772 173.950 174.900 -0.296 0.000 1.402 640 G CA -0.732 44.216 45.100 -0.254 0.000 0.784 640 G HN -0.059 nan 8.290 nan 0.000 0.482 641 Y N -0.731 119.545 120.300 -0.040 0.000 2.263 641 Y HA 0.208 4.759 4.550 0.001 0.000 0.292 641 Y C 1.539 177.359 175.900 -0.134 0.000 1.130 641 Y CA 0.630 58.675 58.100 -0.090 0.000 1.179 641 Y CB -0.035 38.392 38.460 -0.056 0.000 0.998 641 Y HN 0.156 nan 8.280 nan 0.000 0.532 642 V N -0.462 119.465 119.914 0.021 0.000 2.495 642 V HA 0.334 4.455 4.120 0.001 0.000 0.298 642 V C -0.114 175.969 176.094 -0.018 0.000 1.031 642 V CA -1.184 61.103 62.300 -0.022 0.000 0.871 642 V CB 1.745 33.545 31.823 -0.038 0.000 0.988 642 V HN -0.063 nan 8.190 nan 0.000 0.432 643 S N 4.197 119.885 115.700 -0.019 0.000 2.499 643 S HA 0.714 5.184 4.470 0.001 0.000 0.279 643 S C -0.480 174.117 174.600 -0.004 0.000 1.219 643 S CA -0.300 57.894 58.200 -0.010 0.000 1.062 643 S CB 0.375 63.569 63.200 -0.010 0.000 0.978 643 S HN 0.494 nan 8.310 nan 0.000 0.489 644 I N 4.388 124.959 120.570 0.002 0.000 2.404 644 I HA 0.476 4.646 4.170 0.001 0.000 0.293 644 I C -0.094 176.028 176.117 0.007 0.000 0.992 644 I CA -0.225 61.078 61.300 0.005 0.000 1.149 644 I CB 1.686 39.689 38.000 0.005 0.000 1.315 644 I HN 0.423 nan 8.210 nan 0.000 0.446 645 K N 3.946 124.351 120.400 0.008 0.000 2.426 645 K HA 0.844 5.164 4.320 0.001 0.000 0.251 645 K C -1.057 175.548 176.600 0.009 0.000 0.941 645 K CA -0.755 55.535 56.287 0.006 0.000 0.808 645 K CB 2.313 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 1.089 123.915 122.820 0.009 0.000 2.304 646 A HA 0.655 4.976 4.320 0.001 0.000 0.301 646 A C -0.474 177.115 177.584 0.008 0.000 1.132 646 A CA -0.179 51.864 52.037 0.011 0.000 0.819 646 A CB 1.173 20.180 19.000 0.012 0.000 1.094 646 A HN 0.525 nan 8.150 nan 0.000 0.492 647 S N -0.039 115.669 115.700 0.013 0.000 2.638 647 S HA 0.420 4.891 4.470 0.001 0.000 0.274 647 S C 0.756 175.367 174.600 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 64.336 63.200 0.005 0.000 1.139 647 S HN 0.733 nan 8.310 nan 0.000 0.474 648 K N 0.877 121.287 120.400 0.018 0.000 2.103 648 K HA 0.023 4.343 4.320 0.001 0.000 0.204 648 K C 0.674 177.293 176.600 0.033 0.000 1.052 648 K CA 1.414 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 4.668 4.640 0.001 0.000 0.205 649 D C 1.089 177.429 176.300 0.066 0.000 0.962 649 D CA 1.247 55.284 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 4.122 3.960 0.001 0.000 0.279 650 G HA3 0.162 4.122 3.960 0.001 0.000 0.279 650 G C -1.499 173.434 174.900 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 1.232 121.829 120.570 0.046 0.000 2.396 651 I HA 0.318 4.489 4.170 0.001 0.000 0.289 651 I C 0.086 176.245 176.117 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 7.721 128.981 121.223 0.062 0.000 2.265 652 L HA 0.434 4.774 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 -0.277 54.613 54.840 0.083 0.000 0.809 652 L CB 0.618 42.684 42.059 0.012 0.000 1.179 652 L HN 0.570 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 4.864 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 2.217 122.011 119.800 -0.010 0.000 2.274 654 Q HA 0.338 4.678 4.340 0.001 0.000 0.268 654 Q C -1.508 174.469 176.000 -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 3.847 123.733 119.914 -0.047 0.000 2.481 655 V HA 0.313 4.433 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 -0.842 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 3.396 123.322 119.914 0.020 0.000 2.928 656 V HA 0.147 4.268 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 60.994 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 0.131 177.499 177.300 0.114 0.000 1.182 657 P CA 0.701 63.743 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 1.721 122.220 120.400 0.167 0.000 2.686 658 D HA -0.273 4.367 4.640 0.001 0.000 0.235 658 D C 0.380 176.917 176.300 0.396 0.000 1.160 658 D CA 0.627 54.788 54.000 0.269 0.000 0.645 658 D CB -1.539 39.423 40.800 0.270 0.000 1.039 658 D HN 0.512 nan 8.370 nan 0.000 0.423 659 Y N 0.347 120.824 120.300 0.295 0.000 2.181 659 Y HA -0.160 4.390 4.550 0.001 0.000 0.288 659 Y C 2.197 178.286 175.900 0.314 0.000 1.146 659 Y CA 2.481 60.767 58.100 0.311 0.000 1.164 659 Y CB -0.216 38.349 38.460 0.175 0.000 0.982 659 Y HN 0.308 nan 8.280 nan 0.000 0.515 660 E N -0.617 119.787 120.200 0.340 0.000 2.095 660 E HA -0.336 4.014 4.350 0.001 0.000 0.212 660 E C 1.879 178.543 176.600 0.106 0.000 1.044 660 E CA 2.324 58.865 56.400 0.235 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 4.671 4.556 0.001 0.000 0.265 661 H C 1.279 176.488 175.328 -0.198 0.000 0.953 661 H CA 0.461 56.453 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 1.210 122.428 121.223 -0.008 0.000 2.906 662 L HA 0.044 4.385 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 -0.149 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 -0.663 118.336 119.070 -0.118 0.000 2.321 663 H HA -0.216 4.341 4.556 0.001 0.000 0.295 663 H C 0.560 175.938 175.328 0.082 0.000 1.102 663 H CA 1.853 57.773 56.048 -0.213 0.000 1.266 663 H CB -0.354 28.843 29.762 -0.941 0.000 1.363 663 H HN 0.335 nan 8.280 nan 0.000 0.492 664 D N 1.125 121.424 120.400 -0.170 0.000 2.348 664 D HA 0.084 4.724 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 54.942 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 -0.014 0.000 1.930 665 A HA -0.062 4.259 4.320 0.001 0.000 0.215 665 A C 0.728 178.322 177.584 0.017 0.000 1.176 665 A CA 0.282 52.286 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 0.180 120.571 120.300 0.152 0.000 2.607 666 Y HA 0.206 4.756 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 2.940 123.361 120.200 0.367 0.000 2.331 667 E HA 0.341 4.692 4.350 0.001 0.000 0.243 667 E C -1.525 175.165 176.600 0.150 0.000 0.925 667 E CA -0.386 56.161 56.400 0.244 0.000 0.760 667 E CB 0.254 30.111 29.700 0.262 0.000 1.254 667 E HN 0.568 nan 8.360 nan 0.000 0.419 668 L N 4.295 125.551 121.223 0.054 0.000 2.467 668 L HA 0.038 4.378 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 -0.393 54.397 54.840 -0.083 0.000 0.828 668 L CB 0.226 42.192 42.059 -0.156 0.000 1.101 668 L HN 0.708 nan 8.230 nan 0.000 0.479 669 L N 2.178 123.222 121.223 -0.298 0.000 2.010 669 L HA -0.225 4.116 4.340 0.001 0.000 0.219 669 L C 1.697 178.244 176.870 -0.538 0.000 1.077 669 L CA 2.147 56.657 54.840 -0.550 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 0.001 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 29.378 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 -0.010 4.341 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 0.310 56.775 56.400 0.107 0.000 0.849 671 E CB -0.052 29.702 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 4.509 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 54.215 55.300 0.041 0.000 1.090 672 M CB -0.013 32.578 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 0.406 177.743 177.300 0.061 0.000 1.168 673 P CA 0.596 63.729 63.100 0.055 0.000 0.779 673 P CB 0.393 32.121 31.700 0.047 0.000 0.844 674 G N -1.073 107.765 108.800 0.064 0.000 2.494 674 G HA2 0.120 4.080 3.960 0.001 0.000 0.308 674 G HA3 0.120 4.080 3.960 0.001 0.000 0.308 674 G C -0.373 174.548 174.900 0.036 0.000 1.263 674 G CA -0.370 44.773 45.100 0.071 0.000 0.840 674 G HN -0.206 nan 8.290 nan 0.000 0.479 675 N N 0.137 118.868 118.700 0.052 0.000 2.282 675 N HA 0.058 4.799 4.740 0.001 0.000 0.185 675 N C 1.024 176.641 175.510 0.179 0.000 1.099 675 N CA 0.297 53.393 53.050 0.077 0.000 0.878 675 N CB 0.609 39.123 38.487 0.045 0.000 0.993 675 N HN 0.517 nan 8.380 nan 0.000 0.481 676 D N 1.260 121.758 120.400 0.164 0.000 2.106 676 D HA -0.152 4.488 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 1.503 55.606 54.000 0.171 0.000 0.834 676 D CB -0.257 40.635 40.800 0.153 0.000 0.956 676 D HN 0.250 nan 8.370 nan 0.000 0.448 677 G N 0.408 109.297 108.800 0.149 0.000 2.514 677 G HA2 -0.346 3.614 3.960 0.001 0.000 0.217 677 G HA3 -0.346 3.614 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 1.149 46.336 45.100 0.146 0.000 0.780 677 G HN 0.342 nan 8.290 nan 0.000 0.565 678 Y N 1.141 121.524 120.300 0.137 0.000 2.181 678 Y HA -0.039 4.511 4.550 0.001 0.000 0.288 678 Y C 2.627 178.591 175.900 0.108 0.000 1.146 678 Y CA 1.513 59.719 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 0.091 121.434 121.223 0.200 0.000 2.083 679 L HA -0.276 4.064 4.340 0.001 0.000 0.209 679 L C 2.548 179.389 176.870 -0.048 0.000 1.083 679 L CA 1.604 56.497 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 -0.233 119.501 119.800 -0.111 0.000 2.124 680 Q HA -0.187 4.153 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 -0.080 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 4.190 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 41.732 42.059 -0.025 0.000 0.908 681 L HN 0.111 nan 8.230 nan 0.000 0.437 682 V N 0.137 119.840 119.914 -0.351 0.000 2.358 682 V HA -0.191 3.930 4.120 0.001 0.000 0.246 682 V C 2.635 178.578 176.094 -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 30.530 31.823 -0.355 0.000 0.658 682 V HN 0.557 nan 8.190 nan 0.000 0.452 683 G N -0.118 108.569 108.800 -0.187 0.000 2.446 683 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 683 G HA3 -0.249 3.711 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 1.129 46.144 45.100 -0.142 0.000 0.771 683 G HN 0.486 nan 8.290 nan 0.000 0.551 684 I N 0.354 120.791 120.570 -0.220 0.000 2.286 684 I HA -0.179 3.991 4.170 0.001 0.000 0.248 684 I C 2.942 178.926 176.117 -0.222 0.000 1.115 684 I CA 1.039 62.225 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 -0.578 118.807 119.600 -0.358 0.000 2.175 685 M HA -0.230 4.250 4.480 0.001 0.000 0.264 685 M C 2.264 178.397 176.300 -0.278 0.000 1.063 685 M CA 1.500 56.458 55.300 -0.570 0.000 1.119 685 M CB -0.319 31.720 32.600 -0.935 0.000 1.377 685 M HN 0.118 nan 8.290 nan 0.000 0.415 686 Q N 0.972 120.643 119.800 -0.214 0.000 2.437 686 Q HA -0.130 4.210 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 57.120 55.803 -0.087 0.000 0.903 686 Q CB -0.189 28.508 28.738 -0.068 0.000 0.967 686 Q HN 0.387 nan 8.270 nan 0.000 0.486 687 K N -0.961 119.303 120.400 -0.226 0.000 2.032 687 K HA -0.148 4.172 4.320 0.001 0.000 0.209 687 K C 0.843 177.225 176.600 -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 0.260 nan 8.250 nan 0.000 0.441 688 F N 0.428 120.365 119.950 -0.022 0.000 2.746 688 F HA 0.268 4.796 4.527 0.001 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 1.393 122.074 120.570 0.185 0.000 2.441 689 I HA -0.002 4.169 4.170 0.001 0.000 0.287 689 I C 0.991 177.134 176.117 0.044 0.000 1.049 689 I CA -0.015 61.361 61.300 0.126 0.000 1.381 689 I CB 0.603 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 4.213 124.657 120.400 0.073 0.000 2.104 690 D HA -0.154 4.487 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 0.093 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 4.649 4.340 0.001 0.000 0.256 691 Q C 0.583 176.581 176.000 -0.003 0.000 1.161 691 Q CA -0.158 55.656 55.803 0.019 0.000 0.329 691 Q CB 0.289 29.042 28.738 0.025 0.000 5.721 691 Q HN -0.024 nan 8.270 nan 0.000 0.326 692 S N -1.216 114.476 115.700 -0.013 0.000 2.806 692 S HA 0.655 5.125 4.470 0.001 0.000 0.306 692 S C -1.538 173.033 174.600 -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 1.361 121.896 120.570 -0.058 0.000 2.608 693 I HA 0.354 4.524 4.170 0.001 0.000 0.295 693 I C -0.255 175.812 176.117 -0.084 0.000 1.049 693 I CA -0.539 60.712 61.300 -0.081 0.000 1.063 693 I CB 2.395 40.332 38.000 -0.105 0.000 1.248 693 I HN 0.456 nan 8.210 nan 0.000 0.424 694 S N 4.690 120.320 115.700 -0.117 0.000 4.183 694 S HA 0.353 4.824 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 2.974 125.854 122.820 0.099 0.000 2.462 695 A HA 0.284 4.605 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 5.378 4.740 0.001 0.000 0.285 696 N C -0.698 174.881 175.510 0.115 0.000 1.210 696 N CA -0.317 52.848 53.050 0.193 0.000 0.931 696 N CB 1.830 40.362 38.487 0.075 0.000 1.220 696 N HN 0.767 nan 8.380 nan 0.000 0.542 697 T N -1.293 113.322 114.554 0.102 0.000 2.861 697 T HA 0.455 4.805 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 1.220 70.226 68.868 0.230 0.000 0.996 697 T HN 0.386 nan 8.240 nan 0.000 0.448 698 N N 2.027 120.541 118.700 -0.310 0.000 2.296 698 N HA 0.412 5.152 4.740 0.001 0.000 0.294 698 N C -1.760 173.585 175.510 -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 -0.239 120.309 120.300 0.414 0.000 2.442 699 Y HA 0.248 4.798 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 57.406 58.100 0.369 0.000 1.040 699 Y CB 1.993 40.557 38.460 0.174 0.000 1.228 699 Y HN 0.401 nan 8.280 nan 0.000 0.451 700 D N 4.349 125.032 120.400 0.471 0.000 2.425 700 D HA 0.347 4.987 4.640 0.001 0.000 0.240 700 D C -2.148 174.343 176.300 0.319 0.000 1.080 700 D CA -2.669 51.417 54.000 0.144 0.000 0.836 700 D CB 2.355 43.172 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 1.236 178.672 177.300 0.226 0.000 1.153 701 P CA 1.201 64.419 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 4.430 4.470 0.001 0.000 0.235 702 S C 1.661 176.276 174.600 0.024 0.000 0.974 702 S CA 0.410 58.638 58.200 0.047 0.000 0.942 702 S CB -0.805 62.388 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 4.675 4.340 0.001 0.000 0.216 703 R C -0.929 175.079 176.300 -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 0.823 120.800 119.950 0.045 0.000 2.532 704 F HA 0.376 4.903 4.527 0.001 0.000 0.321 704 F C -2.032 173.784 175.800 0.027 0.000 1.089 704 F CA -3.284 54.742 58.000 0.043 0.000 0.926 704 F CB 1.195 40.225 39.000 0.049 0.000 1.168 704 F HN -0.238 nan 8.300 nan 0.000 0.459 705 P HA 0.050 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 0.692 63.861 63.100 0.116 0.000 0.763 705 P CB 0.633 32.391 31.700 0.096 0.000 0.776 706 S N 1.962 117.706 115.700 0.074 0.000 3.228 706 S HA -0.151 4.320 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 1.074 59.306 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 1.090 nan 8.310 nan 0.000 0.661 707 G N 1.106 109.957 108.800 0.086 0.000 2.249 707 G HA2 -0.335 3.626 3.960 0.001 0.000 0.273 707 G HA3 -0.335 3.626 3.960 0.001 0.000 0.273 707 G C -0.358 174.577 174.900 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 4.976 4.320 0.001 0.000 0.255 708 K C -0.185 176.312 176.600 -0.171 0.000 0.942 708 K CA -1.233 55.030 56.287 -0.041 0.000 0.814 708 K CB 2.877 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 3.779 123.489 119.914 -0.341 0.000 2.450 709 V HA 0.093 4.213 4.120 0.001 0.000 0.281 709 V C -1.657 174.175 176.094 -0.436 0.000 1.019 709 V CA -1.248 60.639 62.300 -0.689 0.000 1.062 709 V CB -0.485 30.961 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 0.576 177.777 177.300 -0.165 0.000 1.204 710 P CA -0.424 62.574 63.100 -0.171 0.000 0.768 710 P CB 0.788 32.459 31.700 -0.048 0.000 0.842 711 M N 2.994 122.535 119.600 -0.099 0.000 2.108 711 M HA -0.216 4.265 4.480 0.001 0.000 0.261 711 M C 2.078 178.360 176.300 -0.032 0.000 1.066 711 M CA 1.921 57.181 55.300 -0.067 0.000 1.107 711 M CB -1.115 31.469 32.600 -0.027 0.000 1.356 711 M HN 0.348 nan 8.290 nan 0.000 0.406 712 Q N -0.057 119.738 119.800 -0.009 0.000 2.029 712 Q HA -0.299 4.041 4.340 0.001 0.000 0.209 712 Q C 2.161 178.185 176.000 0.040 0.000 0.999 712 Q CA 2.732 58.548 55.803 0.022 0.000 0.857 712 Q CB -0.545 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 -0.353 119.472 119.800 0.041 0.000 2.096 713 Q HA -0.109 4.231 4.340 0.001 0.000 0.204 713 Q C 1.963 178.016 176.000 0.088 0.000 0.982 713 Q CA 1.755 57.621 55.803 0.105 0.000 0.850 713 Q CB -0.362 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 -0.559 120.629 121.223 -0.059 0.000 2.046 714 L HA -0.194 4.146 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 1.032 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 -0.278 120.989 121.223 0.072 0.000 2.109 715 L HA -0.189 4.152 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 0.960 55.852 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 4.097 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 1.960 58.305 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 0.130 120.649 120.400 0.197 0.000 2.178 717 D HA -0.137 4.503 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 40.777 40.800 0.344 0.000 0.948 717 D HN 0.182 nan 8.370 nan 0.000 0.472 718 L N 0.520 121.874 121.223 0.218 0.000 1.989 718 L HA -0.140 4.200 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 1.482 56.466 54.840 0.240 0.000 0.749 718 L CB -0.544 41.701 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 4.113 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 56.545 54.840 -0.079 0.000 0.747 719 L CB -1.314 40.700 42.059 -0.075 0.000 0.896 719 L HN 0.271 nan 8.230 nan 0.000 0.432 720 T N 0.167 114.738 114.554 0.029 0.000 2.635 720 T HA -0.272 4.078 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 1.649 63.770 62.100 0.035 0.000 1.156 720 T CB -0.389 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 0.466 123.384 122.820 0.164 0.000 1.892 721 A HA -0.193 4.127 4.320 0.001 0.000 0.218 721 A C 2.112 179.781 177.584 0.141 0.000 1.188 721 A CA 2.109 54.261 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 0.453 120.722 120.300 -0.050 0.000 2.181 722 Y HA -0.219 4.332 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 2.390 60.442 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 -0.588 119.747 120.400 -0.109 0.000 2.103 723 K HA -0.184 4.137 4.320 0.001 0.000 0.207 723 K C 0.840 177.172 176.600 -0.448 0.000 1.048 723 K CA 1.678 57.764 56.287 -0.336 0.000 0.930 723 K CB -0.411 31.749 32.500 -0.566 0.000 0.716 723 K HN 0.298 nan 8.250 nan 0.000 0.444 724 F N 0.458 120.352 119.950 -0.094 0.000 2.663 724 F HA 0.281 4.809 4.527 0.001 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 0.407 39.361 39.000 -0.076 0.000 1.019 724 F HN 0.274 nan 8.300 nan 0.000 0.523 725 G N 0.367 109.006 108.800 -0.269 0.000 2.160 725 G HA2 -0.262 3.699 3.960 0.001 0.000 0.251 725 G HA3 -0.262 3.699 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 0.081 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 0.261 120.178 119.914 0.005 0.000 2.521 726 V HA 0.164 4.284 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 1.040 63.391 62.300 0.085 0.000 1.045 726 V CB 1.279 33.170 31.823 0.115 0.000 0.974 726 V HN 0.473 nan 8.190 nan 0.000 0.480 727 K N 2.336 122.817 120.400 0.135 0.000 2.044 727 K HA 0.033 4.353 4.320 0.001 0.000 0.204 727 K C 0.817 177.516 176.600 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 5.002 4.350 0.001 0.000 0.289 728 T C -0.780 174.023 174.700 0.172 0.000 1.082 728 T CA -1.019 61.177 62.100 0.161 0.000 1.009 728 T CB 1.570 70.508 68.868 0.117 0.000 1.234 728 T HN -0.085 nan 8.240 nan 0.000 0.526 729 L N 1.407 122.755 121.223 0.208 0.000 2.438 729 L HA 0.503 4.844 4.340 0.001 0.000 0.270 729 L C -0.901 176.117 176.870 0.248 0.000 0.972 729 L CA -1.041 53.941 54.840 0.236 0.000 0.831 729 L CB 1.905 44.131 42.059 0.278 0.000 1.273 729 L HN 0.678 nan 8.230 nan 0.000 0.405 730 Y N 2.413 122.705 120.300 -0.013 0.000 2.780 730 Y HA 0.335 4.885 4.550 0.001 0.000 0.449 730 Y C 0.368 176.361 175.900 0.155 0.000 1.395 730 Y CA -0.648 57.297 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 1.507 121.705 120.300 -0.169 0.000 2.914 731 Y HA -0.017 4.534 4.550 0.001 0.000 0.348 731 Y C 0.633 176.603 175.900 0.116 0.000 1.278 731 Y CA 0.333 58.406 58.100 -0.046 0.000 1.491 731 Y CB -0.219 38.150 38.460 -0.153 0.000 1.334 731 Y HN 0.280 nan 8.280 nan 0.000 0.650 732 Q N 3.028 123.011 119.800 0.305 0.000 2.327 732 Q HA 0.293 4.634 4.340 0.001 0.000 0.270 732 Q C -1.432 174.691 176.000 0.204 0.000 1.022 732 Q CA -0.814 55.145 55.803 0.260 0.000 0.773 732 Q CB 0.659 29.558 28.738 0.269 0.000 1.251 732 Q HN 0.651 nan 8.270 nan 0.000 0.457 733 N N 2.794 121.617 118.700 0.205 0.000 2.434 733 N HA 0.297 5.037 4.740 0.001 0.000 0.272 733 N C -1.027 174.698 175.510 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 40.423 38.487 0.190 0.000 1.108 733 N HN 0.458 nan 8.380 nan 0.000 0.481 734 T N 1.352 116.066 114.554 0.266 0.000 2.855 734 T HA 0.311 4.661 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 61.584 62.100 0.209 0.000 1.009 734 T CB 1.874 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 1.458 121.832 120.500 -0.210 0.000 2.594 735 R HA 0.154 4.495 4.340 0.001 0.000 0.272 735 R C -0.180 175.973 176.300 -0.244 0.000 1.074 735 R CA -0.270 55.535 56.100 -0.491 0.000 1.105 735 R CB 0.363 30.002 30.300 -1.102 0.000 1.008 735 R HN 0.639 nan 8.270 nan 0.000 0.472 736 D N 2.470 122.752 120.400 -0.198 0.000 2.781 736 D HA 0.313 4.954 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 0.417 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 3.960 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.960 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