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 2a75_1_A DATA FIRST_RESID -2 DATA SEQUENCE MASLAPGSSR VELFKRKNST VPFEESNGTI RERVVHSFRI PTIVNVDGVM DATA SEQUENCE VAIADARYET SFDNSFIETA VKYSVDDGAT WNTQIAIKNS RASSVSRVMD DATA SEQUENCE ATVIVKGNKL YILVGSFNKT RNSWTQHRDG SDWEPLLVVG EVTKSAANGK DATA SEQUENCE TTATISWGKP VSLKPLFPAE FDGILTKEFI GGVGAAIVAS NGNLVYPVQI DATA SEQUENCE ADMGGRVFTK IMYSEDDGNT WKFAEGRSKF GCSEPAVLEW EGKLIINNRV DATA SEQUENCE DGNRRLVYES SDMGKTWVEA LGTLSHVWTN SPTSNQQDCQ SSFVAVTIEG DATA SEQUENCE KRVMLFTHPL NLKGRWMRDR LHLWMTDNQR IFDVGQISIG DENSGYSSVL DATA SEQUENCE YKDDKLYSLH EINTNDVYSL VFVRLIGELQ LMKSVVRTWK EEDNHLASIc DATA SEQUENCE TPVVPATPXX KGGcGAAVPT AGLVGFLSHS ANGSVWEDVY RCVDANVANA DATA SEQUENCE ERVPNGLKFN GVGGGAVWPV ARQGQTRRYQ FANYRFTLVA TVTIDELPKG DATA SEQUENCE TSPLLGAGLE GPGDAKLLGL SYDKNRQWRP LYGAAPASPT GSWELHKKYH DATA SEQUENCE VVLTMADRQG SVYVDGQPLA GSGNTVVRGA TLPDISHFYI GGPRSKGAPT DATA SEQUENCE DSRVTVTNVV LYNRRLNSSE IRTLFLSQDM IGTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 M HA 0.000 nan 4.480 nan 0.000 0.227 -2 M C 0.000 176.294 176.300 -0.009 0.000 1.140 -2 M CA 0.000 55.301 55.300 0.002 0.000 0.988 -2 M CB 0.000 nan 32.600 nan 0.000 1.302 -1 A N 1.573 124.388 122.820 -0.008 0.000 2.547 -1 A HA 0.623 4.943 4.320 -0.001 0.000 0.233 -1 A C 0.448 177.985 177.584 -0.079 0.000 1.067 -1 A CA 0.967 52.979 52.037 -0.042 0.000 0.763 -1 A CB -0.475 nan 19.000 nan 0.000 1.007 -1 A HN 2.376 nan 8.150 nan 0.000 0.506 0 S N -0.641 115.000 115.700 -0.099 0.000 2.656 0 S HA 0.379 4.848 4.470 -0.001 0.000 0.265 0 S C -0.933 173.613 174.600 -0.089 0.000 1.132 0 S CA -0.909 57.234 58.200 -0.095 0.000 0.819 0 S CB 0.278 63.449 63.200 -0.049 0.000 1.119 0 S HN 1.290 nan 8.310 nan 0.000 0.476 1 L N 2.619 123.802 121.223 -0.067 0.000 2.747 1 L HA 0.262 4.602 4.340 -0.001 0.000 0.286 1 L C 0.518 177.362 176.870 -0.044 0.000 1.216 1 L CA 0.691 55.502 54.840 -0.049 0.000 0.930 1 L CB -0.783 41.266 42.059 -0.017 0.000 1.216 1 L HN 0.833 nan 8.230 nan 0.000 0.486 2 A N 7.054 129.845 122.820 -0.048 0.000 2.407 2 A HA 0.526 4.846 4.320 -0.001 0.000 0.248 2 A C -2.186 175.382 177.584 -0.026 0.000 1.082 2 A CA -1.190 50.825 52.037 -0.037 0.000 0.785 2 A CB -0.533 18.446 19.000 -0.035 0.000 1.020 2 A HN 0.739 nan 8.150 nan 0.000 0.489 3 P HA 0.242 nan 4.420 nan 0.000 0.264 3 P C 1.090 178.381 177.300 -0.016 0.000 1.183 3 P CA 1.980 65.071 63.100 -0.014 0.000 0.763 3 P CB 0.638 32.332 31.700 -0.010 0.000 0.807 4 G N 1.244 110.035 108.800 -0.015 0.000 2.279 4 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.223 4 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.223 4 G C 0.427 175.313 174.900 -0.023 0.000 1.015 4 G CA 0.023 45.113 45.100 -0.017 0.000 0.621 4 G HN 0.584 nan 8.290 nan 0.000 0.506 5 S N 0.122 115.806 115.700 -0.028 0.000 2.693 5 S HA 0.874 5.343 4.470 -0.001 0.000 0.276 5 S C 0.275 174.859 174.600 -0.026 0.000 1.192 5 S CA 0.457 58.635 58.200 -0.037 0.000 0.994 5 S CB 1.803 64.977 63.200 -0.044 0.000 1.012 5 S HN 1.818 nan 8.310 nan 0.000 0.550 6 S N 0.150 115.831 115.700 -0.031 0.000 2.655 6 S HA 0.779 5.248 4.470 -0.001 0.000 0.266 6 S C -1.309 173.275 174.600 -0.027 0.000 1.149 6 S CA -1.295 56.896 58.200 -0.016 0.000 0.818 6 S CB 1.594 64.795 63.200 0.000 0.000 1.130 6 S HN 1.029 nan 8.310 nan 0.000 0.476 7 R N -1.000 119.497 120.500 -0.005 0.000 2.733 7 R HA 0.841 5.181 4.340 -0.001 0.000 0.272 7 R C -1.624 174.701 176.300 0.042 0.000 1.029 7 R CA -0.984 55.114 56.100 -0.005 0.000 0.888 7 R CB 1.172 31.459 30.300 -0.021 0.000 1.251 7 R HN 1.347 nan 8.270 nan 0.000 0.464 8 V N -2.207 117.759 119.914 0.086 0.000 2.962 8 V HA 0.516 4.635 4.120 -0.001 0.000 0.313 8 V C -0.436 175.689 176.094 0.052 0.000 1.099 8 V CA -0.973 61.378 62.300 0.086 0.000 0.971 8 V CB 1.876 33.781 31.823 0.137 0.000 1.028 8 V HN 0.976 nan 8.190 nan 0.000 0.430 9 E N 1.806 122.012 120.200 0.011 0.000 1.814 9 E HA 0.199 4.548 4.350 -0.001 0.000 0.264 9 E C 0.613 177.164 176.600 -0.080 0.000 1.179 9 E CA -0.393 55.998 56.400 -0.015 0.000 0.972 9 E CB 0.894 30.590 29.700 -0.007 0.000 1.077 9 E HN 0.756 nan 8.360 nan 0.000 0.417 10 L N 4.695 125.847 121.223 -0.119 0.000 1.994 10 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 10 L C 0.012 176.529 176.870 -0.590 0.000 1.071 10 L CA 1.763 56.367 54.840 -0.393 0.000 0.745 10 L CB 0.019 41.768 42.059 -0.518 0.000 0.892 10 L HN 0.421 nan 8.230 nan 0.000 0.431 11 F N 0.866 120.526 119.950 -0.482 0.000 2.308 11 F HA 0.338 4.865 4.527 -0.001 0.000 0.370 11 F C 0.388 175.960 175.800 -0.381 0.000 1.100 11 F CA -0.565 56.946 58.000 -0.815 0.000 1.108 11 F CB 0.470 38.809 39.000 -1.102 0.000 1.293 11 F HN -0.149 nan 8.300 nan 0.000 0.478 12 K N 5.304 125.651 120.400 -0.088 0.000 2.262 12 K HA 0.300 4.619 4.320 -0.001 0.000 0.282 12 K C 0.303 177.082 176.600 0.298 0.000 1.066 12 K CA -0.791 55.558 56.287 0.103 0.000 0.901 12 K CB 0.651 33.165 32.500 0.023 0.000 1.089 12 K HN 0.643 nan 8.250 nan 0.000 0.476 13 R N 3.873 124.546 120.500 0.288 0.000 2.638 13 R HA -0.065 4.275 4.340 -0.001 0.000 0.268 13 R C -0.596 175.756 176.300 0.088 0.000 1.006 13 R CA 0.219 56.436 56.100 0.196 0.000 1.088 13 R CB -0.042 30.305 30.300 0.078 0.000 0.950 13 R HN 0.647 nan 8.270 nan 0.000 0.419 14 K N 0.626 121.041 120.400 0.025 0.000 3.177 14 K HA -0.315 4.005 4.320 -0.001 0.000 0.266 14 K C 0.016 176.646 176.600 0.050 0.000 0.937 14 K CA 1.217 57.508 56.287 0.006 0.000 0.702 14 K CB -0.912 31.554 32.500 -0.057 0.000 1.365 14 K HN 0.910 nan 8.250 nan 0.000 0.466 15 N N -1.051 117.713 118.700 0.106 0.000 2.626 15 N HA -0.036 4.704 4.740 -0.001 0.000 0.339 15 N C -0.841 174.734 175.510 0.108 0.000 0.610 15 N CA 0.071 53.171 53.050 0.084 0.000 1.434 15 N CB 0.334 38.858 38.487 0.062 0.000 1.551 15 N HN 0.047 nan 8.380 nan 0.000 1.653 16 S N 1.672 117.461 115.700 0.148 0.000 2.525 16 S HA 0.200 4.669 4.470 -0.001 0.000 0.285 16 S C 0.364 175.101 174.600 0.228 0.000 1.283 16 S CA 0.111 58.377 58.200 0.109 0.000 1.072 16 S CB 0.491 63.659 63.200 -0.054 0.000 0.867 16 S HN 0.497 nan 8.310 nan 0.000 0.492 17 T N 0.013 114.651 114.554 0.140 0.000 2.934 17 T HA 0.710 5.059 4.350 -0.001 0.000 0.283 17 T C -0.024 174.787 174.700 0.185 0.000 1.005 17 T CA -0.879 61.327 62.100 0.176 0.000 1.041 17 T CB 1.027 69.969 68.868 0.124 0.000 1.042 17 T HN 0.505 nan 8.240 nan 0.000 0.505 18 V N -1.860 118.198 119.914 0.239 0.000 2.914 18 V HA 0.753 4.872 4.120 -0.001 0.000 0.314 18 V C -2.879 173.369 176.094 0.257 0.000 1.084 18 V CA -3.125 59.319 62.300 0.239 0.000 0.963 18 V CB 1.850 33.845 31.823 0.287 0.000 1.025 18 V HN 0.816 nan 8.190 nan 0.000 0.432 19 P HA 0.166 nan 4.420 nan 0.000 0.256 19 P C -0.642 176.796 177.300 0.231 0.000 1.688 19 P CA 0.110 63.322 63.100 0.186 0.000 1.162 19 P CB -0.267 31.508 31.700 0.125 0.000 1.870 20 F N 2.766 122.803 119.950 0.144 0.000 2.495 20 F HA 0.148 4.674 4.527 -0.001 0.000 0.365 20 F C 0.685 176.525 175.800 0.067 0.000 1.090 20 F CA -0.486 57.588 58.000 0.123 0.000 1.235 20 F CB 0.660 39.702 39.000 0.070 0.000 1.119 20 F HN 0.209 nan 8.300 nan 0.000 0.562 21 E N 5.958 125.721 120.200 -0.727 0.000 2.109 21 E HA 0.136 4.486 4.350 -0.001 0.000 0.278 21 E C -0.526 175.610 176.600 -0.774 0.000 0.954 21 E CA -0.763 55.314 56.400 -0.537 0.000 0.779 21 E CB 0.612 30.129 29.700 -0.305 0.000 1.093 21 E HN 0.577 nan 8.360 nan 0.000 0.401 22 E N 2.372 122.336 120.200 -0.394 0.000 2.409 22 E HA 0.029 4.379 4.350 -0.001 0.000 0.257 22 E C 1.208 177.718 176.600 -0.151 0.000 1.150 22 E CA 0.608 56.886 56.400 -0.203 0.000 0.942 22 E CB 0.837 30.521 29.700 -0.026 0.000 0.979 22 E HN 0.796 nan 8.360 nan 0.000 0.447 23 S N 1.962 117.621 115.700 -0.068 0.000 2.387 23 S HA -0.248 4.222 4.470 -0.001 0.000 0.230 23 S C 1.325 175.901 174.600 -0.040 0.000 1.035 23 S CA 2.098 60.272 58.200 -0.044 0.000 1.014 23 S CB -0.582 62.612 63.200 -0.010 0.000 0.836 23 S HN 0.542 nan 8.310 nan 0.000 0.466 24 N N -0.070 118.610 118.700 -0.032 0.000 2.461 24 N HA 0.333 5.072 4.740 -0.001 0.000 0.188 24 N C 1.080 176.571 175.510 -0.031 0.000 1.134 24 N CA 0.965 54.001 53.050 -0.024 0.000 0.878 24 N CB -0.242 38.238 38.487 -0.013 0.000 0.972 24 N HN 0.689 nan 8.380 nan 0.000 0.456 25 G N -1.592 107.177 108.800 -0.052 0.000 2.195 25 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.246 25 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.246 25 G C 0.135 175.009 174.900 -0.044 0.000 0.984 25 G CA 0.379 45.448 45.100 -0.051 0.000 0.633 25 G HN 0.458 nan 8.290 nan 0.000 0.525 26 T N 2.457 116.990 114.554 -0.035 0.000 2.916 26 T HA 0.483 4.832 4.350 -0.001 0.000 0.303 26 T C 0.651 175.338 174.700 -0.021 0.000 1.025 26 T CA 0.202 62.293 62.100 -0.015 0.000 1.142 26 T CB 0.889 69.758 68.868 0.002 0.000 0.947 26 T HN 0.212 nan 8.240 nan 0.000 0.544 27 I N 3.563 124.136 120.570 0.004 0.000 2.353 27 I HA 0.435 4.604 4.170 -0.001 0.000 0.293 27 I C 0.435 176.592 176.117 0.067 0.000 0.992 27 I CA -0.530 60.784 61.300 0.023 0.000 1.268 27 I CB 1.260 39.279 38.000 0.032 0.000 1.387 27 I HN 0.571 nan 8.210 nan 0.000 0.478 28 R N 4.672 125.245 120.500 0.122 0.000 2.513 28 R HA 0.296 4.636 4.340 -0.001 0.000 0.301 28 R C -0.712 175.696 176.300 0.179 0.000 0.968 28 R CA -0.570 55.618 56.100 0.146 0.000 0.872 28 R CB 1.465 31.873 30.300 0.180 0.000 1.177 28 R HN 0.432 nan 8.270 nan 0.000 0.444 29 E N 3.917 124.197 120.200 0.132 0.000 2.292 29 E HA 0.011 4.360 4.350 -0.001 0.000 0.265 29 E C -0.597 176.092 176.600 0.147 0.000 1.093 29 E CA 0.222 56.705 56.400 0.139 0.000 0.922 29 E CB 0.787 30.544 29.700 0.096 0.000 1.001 29 E HN 0.403 nan 8.360 nan 0.000 0.444 30 R N 2.334 122.955 120.500 0.202 0.000 2.514 30 R HA 0.345 4.685 4.340 -0.001 0.000 0.301 30 R C -0.545 175.869 176.300 0.191 0.000 0.962 30 R CA -0.710 55.492 56.100 0.169 0.000 0.882 30 R CB 1.097 31.482 30.300 0.143 0.000 1.143 30 R HN 0.177 nan 8.270 nan 0.000 0.452 31 V N 4.172 124.164 119.914 0.130 0.000 2.811 31 V HA 0.140 4.260 4.120 -0.001 0.000 0.302 31 V C -0.044 176.121 176.094 0.119 0.000 1.063 31 V CA -0.259 62.112 62.300 0.119 0.000 1.088 31 V CB 1.435 33.303 31.823 0.075 0.000 0.982 31 V HN 0.473 nan 8.190 nan 0.000 0.485 32 V N 3.868 123.802 119.914 0.034 0.000 2.409 32 V HA 0.258 4.377 4.120 -0.001 0.000 0.291 32 V C 0.987 176.977 176.094 -0.174 0.000 1.020 32 V CA -0.424 61.761 62.300 -0.192 0.000 0.848 32 V CB 1.135 32.506 31.823 -0.753 0.000 0.990 32 V HN 0.994 nan 8.190 nan 0.000 0.430 33 H N 3.130 122.094 119.070 -0.177 0.000 2.267 33 H HA -0.021 4.534 4.556 -0.001 0.000 0.297 33 H C 0.456 175.706 175.328 -0.129 0.000 1.080 33 H CA 1.857 57.845 56.048 -0.100 0.000 1.278 33 H CB 0.589 30.324 29.762 -0.046 0.000 1.365 33 H HN 0.583 nan 8.280 nan 0.000 0.489 34 S N -0.944 114.755 115.700 -0.001 0.000 2.549 34 S HA 0.439 4.908 4.470 -0.001 0.000 0.280 34 S C -1.437 172.952 174.600 -0.351 0.000 1.109 34 S CA -0.645 57.551 58.200 -0.006 0.000 0.905 34 S CB 1.860 65.234 63.200 0.289 0.000 1.081 34 S HN 0.202 nan 8.310 nan 0.000 0.477 35 F N 2.012 121.970 119.950 0.013 0.000 2.444 35 F HA 0.624 5.150 4.527 -0.001 0.000 0.342 35 F C 0.852 176.550 175.800 -0.169 0.000 1.121 35 F CA -0.575 57.355 58.000 -0.117 0.000 0.997 35 F CB 1.344 40.284 39.000 -0.100 0.000 1.130 35 F HN 0.243 nan 8.300 nan 0.000 0.454 36 R N 2.150 122.578 120.500 -0.120 0.000 2.885 36 R HA 0.587 4.927 4.340 -0.001 0.000 0.260 36 R C -0.918 175.247 176.300 -0.225 0.000 1.107 36 R CA -1.159 54.799 56.100 -0.236 0.000 0.978 36 R CB 1.738 31.759 30.300 -0.464 0.000 1.227 36 R HN 0.525 nan 8.270 nan 0.000 0.473 37 I N -0.045 120.386 120.570 -0.232 0.000 7.154 37 I HA -0.144 4.025 4.170 -0.001 0.000 0.126 37 I C -2.299 173.791 176.117 -0.045 0.000 1.808 37 I CA -0.146 61.101 61.300 -0.087 0.000 2.123 37 I CB -2.501 35.431 38.000 -0.115 0.000 3.552 37 I HN 0.482 nan 8.210 nan 0.000 0.195 38 P HA 0.390 nan 4.420 nan 0.000 0.279 38 P C -0.146 177.176 177.300 0.036 0.000 1.239 38 P CA 0.290 63.362 63.100 -0.047 0.000 0.789 38 P CB 1.598 33.287 31.700 -0.019 0.000 0.933 39 T N 3.568 118.141 114.554 0.031 0.000 3.032 39 T HA 0.512 4.861 4.350 -0.001 0.000 0.312 39 T C -0.577 174.197 174.700 0.123 0.000 1.078 39 T CA -0.340 61.817 62.100 0.095 0.000 1.028 39 T CB 1.002 69.932 68.868 0.105 0.000 1.091 39 T HN 0.386 nan 8.240 nan 0.000 0.457 40 I N 4.305 124.975 120.570 0.167 0.000 2.466 40 I HA 0.752 4.921 4.170 -0.001 0.000 0.289 40 I C -0.808 175.429 176.117 0.200 0.000 1.026 40 I CA -0.816 60.606 61.300 0.204 0.000 1.078 40 I CB 0.900 39.056 38.000 0.260 0.000 1.249 40 I HN 0.549 nan 8.210 nan 0.000 0.429 41 V N 3.198 123.225 119.914 0.188 0.000 3.158 41 V HA 0.678 4.798 4.120 -0.001 0.000 0.311 41 V C -1.069 175.109 176.094 0.139 0.000 1.181 41 V CA -0.863 61.536 62.300 0.166 0.000 1.054 41 V CB 1.900 33.818 31.823 0.159 0.000 1.085 41 V HN 0.782 nan 8.190 nan 0.000 0.446 42 N N 0.400 119.169 118.700 0.115 0.000 2.417 42 N HA 0.609 5.348 4.740 -0.001 0.000 0.274 42 N C -1.323 174.224 175.510 0.062 0.000 0.987 42 N CA -0.421 52.675 53.050 0.077 0.000 0.912 42 N CB 1.693 40.222 38.487 0.070 0.000 1.177 42 N HN 0.705 nan 8.380 nan 0.000 0.490 43 V N 3.511 123.448 119.914 0.038 0.000 2.325 43 V HA 0.256 4.375 4.120 -0.001 0.000 0.280 43 V C 0.083 176.170 176.094 -0.011 0.000 1.016 43 V CA -0.712 61.596 62.300 0.014 0.000 0.818 43 V CB 0.646 32.466 31.823 -0.006 0.000 1.019 43 V HN 0.913 nan 8.190 nan 0.000 0.434 44 D N 4.322 124.718 120.400 -0.006 0.000 2.708 44 D HA -0.178 4.461 4.640 -0.001 0.000 0.236 44 D C 1.279 177.566 176.300 -0.022 0.000 1.146 44 D CA 2.116 56.105 54.000 -0.017 0.000 0.662 44 D CB -1.028 39.753 40.800 -0.032 0.000 1.059 44 D HN 1.432 nan 8.370 nan 0.000 0.428 45 G N -2.311 106.480 108.800 -0.015 0.000 2.175 45 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.244 45 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.244 45 G C 0.305 175.184 174.900 -0.036 0.000 0.982 45 G CA 0.110 45.195 45.100 -0.024 0.000 0.641 45 G HN 0.932 nan 8.290 nan 0.000 0.527 46 V N 2.245 122.142 119.914 -0.029 0.000 2.370 46 V HA 0.581 4.700 4.120 -0.001 0.000 0.283 46 V C 0.826 176.919 176.094 -0.001 0.000 1.023 46 V CA -0.453 61.831 62.300 -0.026 0.000 0.857 46 V CB 1.595 33.402 31.823 -0.026 0.000 0.985 46 V HN 0.358 nan 8.190 nan 0.000 0.443 47 M N 4.794 124.369 119.600 -0.042 0.000 2.200 47 M HA 0.365 4.844 4.480 -0.001 0.000 0.355 47 M C -0.845 175.554 176.300 0.165 0.000 1.283 47 M CA 0.074 55.379 55.300 0.009 0.000 1.124 47 M CB 1.154 33.674 32.600 -0.133 0.000 1.625 47 M HN 0.413 nan 8.290 nan 0.000 0.463 48 V N 3.369 123.419 119.914 0.227 0.000 2.443 48 V HA 0.633 4.753 4.120 -0.001 0.000 0.293 48 V C -0.329 175.947 176.094 0.304 0.000 1.021 48 V CA -0.887 61.599 62.300 0.311 0.000 0.848 48 V CB 1.538 33.511 31.823 0.251 0.000 0.998 48 V HN 0.917 nan 8.190 nan 0.000 0.424 49 A N 6.324 129.349 122.820 0.342 0.000 2.288 49 A HA 0.925 5.244 4.320 -0.001 0.000 0.320 49 A C -0.769 176.947 177.584 0.221 0.000 1.217 49 A CA -0.399 51.788 52.037 0.249 0.000 0.840 49 A CB 0.570 19.694 19.000 0.206 0.000 1.179 49 A HN 0.761 nan 8.150 nan 0.000 0.504 50 I N 1.536 122.162 120.570 0.093 0.000 2.530 50 I HA 0.732 4.901 4.170 -0.001 0.000 0.297 50 I C 0.343 176.372 176.117 -0.147 0.000 1.011 50 I CA -0.061 61.246 61.300 0.012 0.000 1.107 50 I CB 2.198 40.226 38.000 0.046 0.000 1.285 50 I HN 0.802 nan 8.210 nan 0.000 0.436 51 A N 3.411 126.113 122.820 -0.196 0.000 2.608 51 A HA 0.589 4.908 4.320 -0.001 0.000 0.292 51 A C -1.805 175.676 177.584 -0.171 0.000 1.066 51 A CA -0.737 51.133 52.037 -0.279 0.000 0.676 51 A CB 1.184 19.788 19.000 -0.660 0.000 1.277 51 A HN 0.554 nan 8.150 nan 0.000 0.413 52 D N 1.295 121.592 120.400 -0.173 0.000 2.351 52 D HA 0.501 5.141 4.640 -0.001 0.000 0.251 52 D C 0.208 176.399 176.300 -0.180 0.000 1.137 52 D CA 0.972 54.864 54.000 -0.179 0.000 0.879 52 D CB 1.386 42.057 40.800 -0.214 0.000 1.181 52 D HN 0.788 nan 8.370 nan 0.000 0.448 53 A N 4.138 126.806 122.820 -0.254 0.000 2.322 53 A HA 0.350 4.669 4.320 -0.001 0.000 0.327 53 A C 0.027 177.250 177.584 -0.601 0.000 1.394 53 A CA -0.731 51.014 52.037 -0.486 0.000 0.921 53 A CB 0.257 18.950 19.000 -0.512 0.000 1.153 53 A HN 0.440 nan 8.150 nan 0.000 0.523 54 R N 3.157 123.363 120.500 -0.490 0.000 2.391 54 R HA 0.219 4.559 4.340 -0.001 0.000 0.310 54 R C -0.338 175.822 176.300 -0.233 0.000 1.174 54 R CA -0.202 55.723 56.100 -0.291 0.000 1.118 54 R CB 0.129 30.294 30.300 -0.224 0.000 1.134 54 R HN 0.846 nan 8.270 nan 0.000 0.524 55 Y N 1.230 121.472 120.300 -0.096 0.000 2.102 55 Y HA -0.298 4.251 4.550 -0.001 0.000 0.280 55 Y C 1.963 177.843 175.900 -0.033 0.000 1.178 55 Y CA 1.420 59.488 58.100 -0.054 0.000 1.146 55 Y CB 0.256 38.749 38.460 0.054 0.000 0.968 55 Y HN 0.445 nan 8.280 nan 0.000 0.504 56 E N -1.017 119.257 120.200 0.124 0.000 2.372 56 E HA 0.110 4.459 4.350 -0.001 0.000 0.201 56 E C 0.699 177.188 176.600 -0.187 0.000 0.938 56 E CA 1.085 57.493 56.400 0.014 0.000 0.944 56 E CB 0.453 30.153 29.700 -0.001 0.000 0.937 56 E HN 0.446 nan 8.360 nan 0.000 0.495 57 T N -2.332 112.026 114.554 -0.326 0.000 2.769 57 T HA 0.228 4.578 4.350 -0.001 0.000 0.306 57 T C 0.570 175.027 174.700 -0.405 0.000 1.400 57 T CA -0.158 61.547 62.100 -0.659 0.000 1.007 57 T CB 1.336 70.056 68.868 -0.248 0.000 1.392 57 T HN -0.116 nan 8.240 nan 0.000 0.500 58 S N 0.078 115.612 115.700 -0.277 0.000 2.575 58 S HA 0.226 4.695 4.470 -0.001 0.000 0.215 58 S C 0.553 175.133 174.600 -0.034 0.000 0.966 58 S CA -0.829 57.339 58.200 -0.054 0.000 0.911 58 S CB -0.728 62.617 63.200 0.242 0.000 0.780 58 S HN 0.659 nan 8.310 nan 0.000 0.514 59 F N 2.994 122.832 119.950 -0.186 0.000 2.607 59 F HA -0.006 4.521 4.527 -0.001 0.000 0.374 59 F C 0.850 176.545 175.800 -0.175 0.000 1.104 59 F CA -0.449 57.449 58.000 -0.170 0.000 1.296 59 F CB 0.585 39.501 39.000 -0.140 0.000 1.085 59 F HN 0.059 nan 8.300 nan 0.000 0.584 60 D N 3.142 123.662 120.400 0.200 0.000 2.149 60 D HA -0.197 4.443 4.640 -0.001 0.000 0.198 60 D C 0.403 176.423 176.300 -0.468 0.000 0.990 60 D CA 1.399 55.300 54.000 -0.166 0.000 0.839 60 D CB -0.154 40.605 40.800 -0.069 0.000 0.948 60 D HN 0.483 nan 8.370 nan 0.000 0.460 61 N N 1.080 119.127 118.700 -1.087 0.000 3.188 61 N HA 0.094 4.833 4.740 -0.001 0.000 0.279 61 N C -0.320 174.742 175.510 -0.746 0.000 1.213 61 N CA 0.035 52.500 53.050 -0.975 0.000 1.138 61 N CB 0.529 38.297 38.487 -1.197 0.000 1.417 61 N HN 0.115 nan 8.380 nan 0.000 0.526 62 S N -0.351 115.120 115.700 -0.382 0.000 2.705 62 S HA 0.426 4.895 4.470 -0.001 0.000 0.280 62 S C -0.724 173.865 174.600 -0.019 0.000 1.174 62 S CA -0.857 57.247 58.200 -0.160 0.000 0.823 62 S CB 1.169 64.305 63.200 -0.107 0.000 1.162 62 S HN 0.133 nan 8.310 nan 0.000 0.487 63 F N 1.504 121.412 119.950 -0.069 0.000 2.502 63 F HA 0.614 5.141 4.527 -0.001 0.000 0.371 63 F C -0.448 175.408 175.800 0.094 0.000 1.083 63 F CA -0.364 57.639 58.000 0.006 0.000 1.174 63 F CB -0.341 38.649 39.000 -0.016 0.000 1.096 63 F HN 0.411 nan 8.300 nan 0.000 0.545 64 I N 5.463 125.875 120.570 -0.264 0.000 2.722 64 I HA 0.378 4.548 4.170 -0.001 0.000 0.295 64 I C -0.981 175.002 176.117 -0.222 0.000 1.161 64 I CA -0.759 60.426 61.300 -0.192 0.000 1.032 64 I CB 2.416 40.308 38.000 -0.180 0.000 1.244 64 I HN 0.459 nan 8.210 nan 0.000 0.421 65 E N 2.383 122.493 120.200 -0.150 0.000 2.416 65 E HA 0.439 4.788 4.350 -0.001 0.000 0.273 65 E C -1.318 175.204 176.600 -0.129 0.000 0.935 65 E CA -0.936 55.408 56.400 -0.093 0.000 0.784 65 E CB 2.526 32.283 29.700 0.095 0.000 1.301 65 E HN 0.420 nan 8.360 nan 0.000 0.454 66 T N 1.358 115.833 114.554 -0.132 0.000 2.729 66 T HA 0.441 4.791 4.350 -0.001 0.000 0.296 66 T C -0.212 174.409 174.700 -0.131 0.000 0.928 66 T CA -0.426 61.583 62.100 -0.152 0.000 1.045 66 T CB 0.687 69.435 68.868 -0.200 0.000 0.902 66 T HN 0.474 nan 8.240 nan 0.000 0.500 67 A N 3.450 126.235 122.820 -0.059 0.000 2.282 67 A HA 0.831 5.150 4.320 -0.001 0.000 0.319 67 A C -0.461 177.163 177.584 0.066 0.000 1.121 67 A CA -0.622 51.442 52.037 0.044 0.000 0.836 67 A CB 0.942 20.069 19.000 0.210 0.000 1.146 67 A HN 0.661 nan 8.150 nan 0.000 0.494 68 V N 1.350 121.343 119.914 0.131 0.000 2.808 68 V HA 0.449 4.569 4.120 -0.001 0.000 0.308 68 V C -0.483 175.763 176.094 0.253 0.000 1.099 68 V CA -0.693 61.738 62.300 0.218 0.000 0.920 68 V CB 2.163 34.126 31.823 0.233 0.000 1.014 68 V HN 0.926 nan 8.190 nan 0.000 0.425 69 K N 3.623 124.179 120.400 0.259 0.000 2.397 69 K HA 0.680 4.999 4.320 -0.001 0.000 0.253 69 K C -1.738 175.119 176.600 0.429 0.000 0.932 69 K CA -0.678 55.670 56.287 0.103 0.000 0.795 69 K CB 2.381 34.618 32.500 -0.438 0.000 1.159 69 K HN 0.750 nan 8.250 nan 0.000 0.424 70 Y N -1.439 119.092 120.300 0.385 0.000 2.545 70 Y HA 0.710 5.259 4.550 -0.001 0.000 0.348 70 Y C -0.693 175.230 175.900 0.038 0.000 1.002 70 Y CA -1.089 57.179 58.100 0.280 0.000 1.039 70 Y CB 2.096 40.649 38.460 0.155 0.000 1.271 70 Y HN 0.377 nan 8.280 nan 0.000 0.467 71 S N 1.444 117.026 115.700 -0.197 0.000 2.571 71 S HA 0.471 4.940 4.470 -0.001 0.000 0.284 71 S C -0.204 174.204 174.600 -0.320 0.000 1.128 71 S CA -0.217 57.618 58.200 -0.608 0.000 0.970 71 S CB 1.425 63.630 63.200 -1.658 0.000 1.039 71 S HN 1.383 nan 8.310 nan 0.000 0.485 72 V N 0.954 120.734 119.914 -0.223 0.000 3.621 72 V HA 0.410 4.529 4.120 -0.001 0.000 0.285 72 V C 0.210 176.207 176.094 -0.162 0.000 1.346 72 V CA 0.688 62.908 62.300 -0.133 0.000 1.104 72 V CB -0.373 31.414 31.823 -0.059 0.000 0.913 72 V HN 0.807 nan 8.190 nan 0.000 0.432 73 D N -1.312 118.941 120.400 -0.245 0.000 2.788 73 D HA 0.205 4.844 4.640 -0.001 0.000 0.289 73 D C 0.096 176.276 176.300 -0.199 0.000 1.340 73 D CA -0.369 53.519 54.000 -0.186 0.000 0.831 73 D CB -0.299 40.405 40.800 -0.160 0.000 1.103 73 D HN 0.174 nan 8.370 nan 0.000 0.476 74 D N 0.169 120.423 120.400 -0.243 0.000 2.772 74 D HA -0.140 4.499 4.640 -0.001 0.000 0.233 74 D C 1.359 177.546 176.300 -0.187 0.000 1.143 74 D CA 1.650 55.536 54.000 -0.189 0.000 0.700 74 D CB -1.306 39.496 40.800 0.005 0.000 1.076 74 D HN 0.718 nan 8.370 nan 0.000 0.430 75 G N -1.596 106.862 108.800 -0.571 0.000 2.176 75 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.232 75 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.232 75 G C 1.240 175.991 174.900 -0.247 0.000 0.986 75 G CA 0.937 45.708 45.100 -0.548 0.000 0.643 75 G HN 0.968 nan 8.290 nan 0.000 0.522 76 A N -0.407 122.276 122.820 -0.229 0.000 1.877 76 A HA 0.419 4.738 4.320 -0.001 0.000 0.216 76 A C 1.673 179.169 177.584 -0.146 0.000 1.186 76 A CA 2.714 54.689 52.037 -0.103 0.000 0.620 76 A CB -0.415 18.531 19.000 -0.091 0.000 0.822 76 A HN 1.962 nan 8.150 nan 0.000 0.443 77 T N -5.691 108.667 114.554 -0.326 0.000 2.906 77 T HA 0.581 4.930 4.350 -0.001 0.000 0.295 77 T C -1.199 173.187 174.700 -0.524 0.000 1.075 77 T CA -0.740 61.206 62.100 -0.256 0.000 1.005 77 T CB 1.335 70.106 68.868 -0.162 0.000 1.136 77 T HN 0.380 nan 8.240 nan 0.000 0.498 78 W N 0.417 121.569 121.300 -0.247 0.000 3.032 78 W HA 0.645 5.304 4.660 -0.001 0.000 0.335 78 W C -0.445 175.838 176.519 -0.393 0.000 1.154 78 W CA -0.654 56.484 57.345 -0.346 0.000 1.204 78 W CB 1.819 31.050 29.460 -0.381 0.000 1.416 78 W HN 0.570 nan 8.180 nan 0.000 0.521 79 N N 0.715 119.198 118.700 -0.361 0.000 2.370 79 N HA 0.608 5.347 4.740 -0.001 0.000 0.303 79 N C -1.055 174.268 175.510 -0.313 0.000 1.103 79 N CA -0.420 52.364 53.050 -0.443 0.000 0.848 79 N CB 2.068 40.082 38.487 -0.789 0.000 1.235 79 N HN 0.204 nan 8.380 nan 0.000 0.496 80 T N 1.458 115.939 114.554 -0.122 0.000 2.841 80 T HA 0.542 4.891 4.350 -0.001 0.000 0.283 80 T C -0.329 174.429 174.700 0.097 0.000 1.000 80 T CA -0.656 61.432 62.100 -0.021 0.000 0.977 80 T CB 1.732 70.562 68.868 -0.063 0.000 0.979 80 T HN 0.344 nan 8.240 nan 0.000 0.446 81 Q N 1.280 121.173 119.800 0.154 0.000 2.553 81 Q HA 0.583 4.922 4.340 -0.001 0.000 0.293 81 Q C -1.330 174.729 176.000 0.099 0.000 1.038 81 Q CA -1.133 54.770 55.803 0.166 0.000 0.777 81 Q CB 2.168 31.067 28.738 0.268 0.000 1.487 81 Q HN 0.375 nan 8.270 nan 0.000 0.426 82 I N 1.460 122.063 120.570 0.056 0.000 2.354 82 I HA 0.283 4.452 4.170 -0.001 0.000 0.286 82 I C 0.379 176.395 176.117 -0.169 0.000 1.007 82 I CA 0.030 61.327 61.300 -0.005 0.000 1.167 82 I CB 0.991 39.040 38.000 0.082 0.000 1.320 82 I HN 0.931 nan 8.210 nan 0.000 0.458 83 A N 7.599 130.167 122.820 -0.421 0.000 1.975 83 A HA 0.278 4.598 4.320 -0.001 0.000 0.215 83 A C 0.872 178.110 177.584 -0.578 0.000 1.170 83 A CA 0.942 52.391 52.037 -0.980 0.000 0.656 83 A CB 0.212 18.151 19.000 -1.768 0.000 0.821 83 A HN 0.592 nan 8.150 nan 0.000 0.449 84 I N 0.189 120.546 120.570 -0.354 0.000 2.478 84 I HA 0.251 4.421 4.170 -0.001 0.000 0.287 84 I C -0.807 175.228 176.117 -0.136 0.000 1.042 84 I CA -0.617 60.554 61.300 -0.214 0.000 1.067 84 I CB 2.159 40.032 38.000 -0.211 0.000 1.233 84 I HN 0.016 nan 8.210 nan 0.000 0.431 85 K N 5.021 125.361 120.400 -0.100 0.000 2.098 85 K HA 0.344 4.663 4.320 -0.001 0.000 0.257 85 K C -0.156 176.386 176.600 -0.096 0.000 0.999 85 K CA -0.643 55.598 56.287 -0.076 0.000 0.924 85 K CB 1.082 33.541 32.500 -0.068 0.000 1.028 85 K HN 0.681 nan 8.250 nan 0.000 0.466 86 N N -1.005 117.628 118.700 -0.113 0.000 2.447 86 N HA 0.009 4.748 4.740 -0.001 0.000 0.271 86 N C 0.667 176.133 175.510 -0.072 0.000 1.226 86 N CA -0.419 52.550 53.050 -0.135 0.000 0.980 86 N CB 1.102 39.440 38.487 -0.248 0.000 1.206 86 N HN 0.532 nan 8.380 nan 0.000 0.558 87 S N -0.360 115.307 115.700 -0.055 0.000 2.474 87 S HA -0.110 4.360 4.470 -0.001 0.000 0.235 87 S C 0.609 175.229 174.600 0.033 0.000 0.997 87 S CA 0.105 58.292 58.200 -0.022 0.000 0.949 87 S CB -0.404 62.777 63.200 -0.030 0.000 0.766 87 S HN 0.695 nan 8.310 nan 0.000 0.517 88 R N -0.494 120.067 120.500 0.101 0.000 3.875 88 R HA -0.179 4.161 4.340 -0.001 0.000 0.321 88 R C 1.069 177.445 176.300 0.127 0.000 1.196 88 R CA 0.883 57.100 56.100 0.194 0.000 0.868 88 R CB -2.727 27.663 30.300 0.151 0.000 1.333 88 R HN 0.689 nan 8.270 nan 0.000 0.522 89 A N 0.075 122.951 122.820 0.093 0.000 1.970 89 A HA 0.091 4.411 4.320 -0.001 0.000 0.216 89 A C 1.067 178.687 177.584 0.061 0.000 1.170 89 A CA 1.558 53.630 52.037 0.058 0.000 0.645 89 A CB 0.155 19.176 19.000 0.036 0.000 0.816 89 A HN 0.691 nan 8.150 nan 0.000 0.447 90 S N -2.859 112.897 115.700 0.093 0.000 2.672 90 S HA 0.360 4.830 4.470 -0.001 0.000 0.271 90 S C 0.724 175.384 174.600 0.101 0.000 1.171 90 S CA 0.387 58.627 58.200 0.067 0.000 0.817 90 S CB 0.618 63.845 63.200 0.045 0.000 1.150 90 S HN 0.829 nan 8.310 nan 0.000 0.478 91 S N -0.126 115.594 115.700 0.033 0.000 2.469 91 S HA -0.072 4.397 4.470 -0.001 0.000 0.238 91 S C 1.364 176.035 174.600 0.118 0.000 0.998 91 S CA 1.044 59.244 58.200 0.000 0.000 0.957 91 S CB -1.032 62.138 63.200 -0.050 0.000 0.764 91 S HN 1.737 nan 8.310 nan 0.000 0.514 92 V N -1.914 118.067 119.914 0.112 0.000 3.176 92 V HA 0.443 4.562 4.120 -0.001 0.000 0.332 92 V C 0.291 176.435 176.094 0.083 0.000 1.414 92 V CA -0.692 61.653 62.300 0.076 0.000 1.133 92 V CB -0.514 31.282 31.823 -0.044 0.000 1.088 92 V HN 0.254 nan 8.190 nan 0.000 0.473 93 S N 2.987 118.783 115.700 0.160 0.000 2.563 93 S HA 0.555 5.024 4.470 -0.001 0.000 0.284 93 S C 0.208 174.770 174.600 -0.063 0.000 1.331 93 S CA -0.050 58.194 58.200 0.074 0.000 1.047 93 S CB 0.249 63.510 63.200 0.102 0.000 0.859 93 S HN 0.953 nan 8.310 nan 0.000 0.514 94 R N -0.637 119.835 120.500 -0.046 0.000 2.634 94 R HA 0.573 4.913 4.340 -0.001 0.000 0.263 94 R C -1.914 174.363 176.300 -0.037 0.000 1.060 94 R CA -1.036 55.006 56.100 -0.098 0.000 0.898 94 R CB 0.549 30.809 30.300 -0.066 0.000 1.253 94 R HN 0.383 nan 8.270 nan 0.000 0.461 95 V N 0.507 120.361 119.914 -0.100 0.000 2.495 95 V HA 0.810 4.930 4.120 -0.001 0.000 0.298 95 V C 0.080 176.117 176.094 -0.095 0.000 1.031 95 V CA -0.818 61.423 62.300 -0.100 0.000 0.871 95 V CB 1.246 32.984 31.823 -0.141 0.000 0.988 95 V HN 0.975 nan 8.190 nan 0.000 0.432 96 M N 1.271 120.830 119.600 -0.068 0.000 2.755 96 M HA 0.732 5.211 4.480 -0.001 0.000 0.273 96 M C -1.190 175.051 176.300 -0.099 0.000 1.278 96 M CA -0.447 54.799 55.300 -0.090 0.000 0.819 96 M CB 2.248 34.797 32.600 -0.085 0.000 1.694 96 M HN 0.546 nan 8.290 nan 0.000 0.460 97 D N 0.551 120.890 120.400 -0.102 0.000 2.746 97 D HA -0.078 4.561 4.640 -0.001 0.000 0.241 97 D C -0.163 176.099 176.300 -0.064 0.000 1.140 97 D CA 1.450 55.407 54.000 -0.072 0.000 0.707 97 D CB -1.293 39.451 40.800 -0.093 0.000 1.034 97 D HN 0.998 nan 8.370 nan 0.000 0.423 98 A N 0.449 123.235 122.820 -0.056 0.000 2.540 98 A HA 0.430 4.750 4.320 -0.001 0.000 0.239 98 A C 0.813 178.409 177.584 0.020 0.000 1.061 98 A CA 0.553 52.569 52.037 -0.036 0.000 0.758 98 A CB 0.541 19.523 19.000 -0.030 0.000 0.991 98 A HN 0.173 nan 8.150 nan 0.000 0.502 99 T N 2.249 116.824 114.554 0.035 0.000 2.841 99 T HA 0.536 4.886 4.350 -0.001 0.000 0.285 99 T C -0.588 174.286 174.700 0.290 0.000 0.991 99 T CA -0.361 61.820 62.100 0.135 0.000 0.966 99 T CB 1.261 70.168 68.868 0.065 0.000 0.962 99 T HN 0.500 nan 8.240 nan 0.000 0.438 100 V N 4.472 124.577 119.914 0.319 0.000 2.604 100 V HA 0.617 4.736 4.120 -0.001 0.000 0.305 100 V C -0.464 175.801 176.094 0.286 0.000 1.043 100 V CA -0.874 61.622 62.300 0.328 0.000 0.888 100 V CB 1.884 33.846 31.823 0.233 0.000 0.995 100 V HN 0.812 nan 8.190 nan 0.000 0.429 101 I N 3.712 124.446 120.570 0.274 0.000 2.498 101 I HA 0.493 4.663 4.170 -0.001 0.000 0.290 101 I C -0.814 175.453 176.117 0.250 0.000 1.032 101 I CA -0.880 60.517 61.300 0.162 0.000 1.073 101 I CB 2.327 40.304 38.000 -0.039 0.000 1.251 101 I HN 0.276 nan 8.210 nan 0.000 0.426 102 V N 6.231 126.253 119.914 0.180 0.000 2.394 102 V HA 0.402 4.521 4.120 -0.001 0.000 0.282 102 V C -0.134 176.055 176.094 0.159 0.000 1.031 102 V CA -0.556 61.845 62.300 0.168 0.000 0.881 102 V CB 1.597 33.491 31.823 0.118 0.000 0.982 102 V HN 0.625 nan 8.190 nan 0.000 0.451 103 K N 3.641 124.160 120.400 0.198 0.000 2.613 103 K HA 0.595 4.914 4.320 -0.001 0.000 0.248 103 K C 0.545 177.211 176.600 0.110 0.000 0.959 103 K CA 0.418 56.797 56.287 0.153 0.000 0.855 103 K CB 1.295 33.908 32.500 0.190 0.000 1.143 103 K HN 0.950 nan 8.250 nan 0.000 0.437 104 G N 3.633 112.469 108.800 0.059 0.000 2.561 104 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.289 104 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.289 104 G C 0.163 175.066 174.900 0.005 0.000 1.169 104 G CA 0.442 45.559 45.100 0.028 0.000 0.980 104 G HN 0.792 nan 8.290 nan 0.000 0.550 105 N N 1.115 119.800 118.700 -0.024 0.000 2.235 105 N HA 0.143 4.882 4.740 -0.001 0.000 0.209 105 N C 0.071 175.513 175.510 -0.113 0.000 1.122 105 N CA 0.361 53.371 53.050 -0.066 0.000 0.845 105 N CB 0.378 38.817 38.487 -0.080 0.000 1.004 105 N HN 0.516 nan 8.380 nan 0.000 0.499 106 K N 0.835 121.179 120.400 -0.093 0.000 2.118 106 K HA 0.453 4.772 4.320 -0.001 0.000 0.254 106 K C -0.553 175.946 176.600 -0.168 0.000 0.961 106 K CA -0.658 55.504 56.287 -0.209 0.000 0.876 106 K CB 2.220 34.546 32.500 -0.290 0.000 1.077 106 K HN 0.040 nan 8.250 nan 0.000 0.440 107 L N 2.376 123.442 121.223 -0.262 0.000 2.356 107 L HA 0.381 4.721 4.340 -0.001 0.000 0.277 107 L C -1.099 175.694 176.870 -0.129 0.000 0.996 107 L CA -0.752 54.057 54.840 -0.052 0.000 0.822 107 L CB 0.992 43.090 42.059 0.064 0.000 1.256 107 L HN 0.440 nan 8.230 nan 0.000 0.413 108 Y N 4.352 124.775 120.300 0.205 0.000 2.342 108 Y HA 0.556 5.105 4.550 -0.001 0.000 0.338 108 Y C -0.043 176.063 175.900 0.343 0.000 0.965 108 Y CA -0.455 57.812 58.100 0.277 0.000 1.159 108 Y CB 1.181 39.815 38.460 0.289 0.000 1.157 108 Y HN 0.331 nan 8.280 nan 0.000 0.486 109 I N 5.332 126.135 120.570 0.387 0.000 2.389 109 I HA 0.253 4.423 4.170 -0.001 0.000 0.288 109 I C -1.143 175.045 176.117 0.118 0.000 0.999 109 I CA -0.965 60.492 61.300 0.262 0.000 1.129 109 I CB 1.707 39.806 38.000 0.166 0.000 1.288 109 I HN 0.363 nan 8.210 nan 0.000 0.444 110 L N 9.485 130.692 121.223 -0.026 0.000 2.287 110 L HA 0.672 5.012 4.340 -0.001 0.000 0.287 110 L C -0.423 176.311 176.870 -0.227 0.000 1.022 110 L CA -0.300 54.378 54.840 -0.270 0.000 0.814 110 L CB 1.402 43.014 42.059 -0.744 0.000 1.217 110 L HN 0.423 nan 8.230 nan 0.000 0.420 111 V N 1.663 121.439 119.914 -0.230 0.000 3.074 111 V HA 0.974 5.094 4.120 -0.001 0.000 0.314 111 V C 0.194 176.123 176.094 -0.275 0.000 1.117 111 V CA -0.387 61.786 62.300 -0.212 0.000 1.014 111 V CB 1.399 33.118 31.823 -0.172 0.000 1.057 111 V HN 0.874 nan 8.190 nan 0.000 0.438 112 G N 0.536 109.207 108.800 -0.215 0.000 2.322 112 G HA2 0.526 4.485 3.960 -0.001 0.000 0.309 112 G HA3 0.526 4.485 3.960 -0.001 0.000 0.309 112 G C -0.460 174.274 174.900 -0.276 0.000 1.121 112 G CA -0.204 44.752 45.100 -0.240 0.000 0.886 112 G HN 1.026 nan 8.290 nan 0.000 0.447 113 S N 1.196 116.544 115.700 -0.586 0.000 2.449 113 S HA 0.793 5.263 4.470 -0.001 0.000 0.310 113 S C -1.072 173.102 174.600 -0.710 0.000 1.096 113 S CA -0.638 57.291 58.200 -0.450 0.000 1.095 113 S CB 0.315 63.283 63.200 -0.386 0.000 1.007 113 S HN 0.334 nan 8.310 nan 0.000 0.474 114 F N 3.186 123.100 119.950 -0.059 0.000 2.563 114 F HA 0.546 5.072 4.527 -0.001 0.000 0.316 114 F C 1.138 176.919 175.800 -0.031 0.000 1.076 114 F CA -0.940 57.061 58.000 0.002 0.000 0.921 114 F CB 1.764 40.796 39.000 0.053 0.000 1.209 114 F HN 0.452 nan 8.300 nan 0.000 0.462 115 N N 0.957 119.738 118.700 0.135 0.000 2.508 115 N HA 0.020 4.759 4.740 -0.001 0.000 0.186 115 N C 0.942 176.493 175.510 0.070 0.000 1.034 115 N CA 0.859 53.950 53.050 0.069 0.000 0.885 115 N CB 0.199 38.703 38.487 0.028 0.000 1.135 115 N HN 0.724 nan 8.380 nan 0.000 0.435 116 K N -0.401 120.036 120.400 0.062 0.000 2.608 116 K HA 0.123 4.443 4.320 -0.001 0.000 0.209 116 K C -0.238 176.355 176.600 -0.013 0.000 1.369 116 K CA -0.184 56.117 56.287 0.023 0.000 1.029 116 K CB -0.008 32.500 32.500 0.012 0.000 1.139 116 K HN -0.053 nan 8.250 nan 0.000 0.623 117 T N 0.033 114.569 114.554 -0.030 0.000 2.930 117 T HA 0.256 4.606 4.350 -0.001 0.000 0.306 117 T C 0.614 175.268 174.700 -0.077 0.000 1.045 117 T CA -0.551 61.488 62.100 -0.102 0.000 1.134 117 T CB 1.586 70.267 68.868 -0.312 0.000 0.961 117 T HN 0.249 nan 8.240 nan 0.000 0.545 118 R N 1.109 121.577 120.500 -0.053 0.000 2.397 118 R HA 0.175 4.515 4.340 -0.001 0.000 0.241 118 R C 0.535 176.835 176.300 0.001 0.000 0.914 118 R CA -0.347 55.714 56.100 -0.065 0.000 1.071 118 R CB 0.162 30.457 30.300 -0.009 0.000 1.116 118 R HN 0.793 nan 8.270 nan 0.000 0.524 119 N N -0.662 118.079 118.700 0.069 0.000 2.518 119 N HA 0.089 4.829 4.740 -0.001 0.000 0.284 119 N C -0.541 175.062 175.510 0.155 0.000 1.230 119 N CA -0.581 52.547 53.050 0.131 0.000 0.941 119 N CB 0.984 39.550 38.487 0.132 0.000 1.219 119 N HN -0.302 nan 8.380 nan 0.000 0.560 120 S N 0.271 116.011 115.700 0.067 0.000 2.562 120 S HA 0.030 4.499 4.470 -0.001 0.000 0.281 120 S C 1.393 175.799 174.600 -0.323 0.000 1.333 120 S CA -0.735 57.442 58.200 -0.039 0.000 1.052 120 S CB -0.131 63.051 63.200 -0.031 0.000 0.884 120 S HN 0.673 nan 8.310 nan 0.000 0.506 121 W N 4.496 125.418 121.300 -0.631 0.000 2.321 121 W HA -0.198 4.461 4.660 -0.001 0.000 0.306 121 W C 1.554 177.678 176.519 -0.659 0.000 1.217 121 W CA 2.114 58.900 57.345 -0.933 0.000 1.257 121 W CB -2.227 26.987 29.460 -0.410 0.000 1.145 121 W HN 0.798 nan 8.180 nan 0.000 0.509 122 T N -1.174 112.691 114.554 -1.147 0.000 2.962 122 T HA -0.021 4.328 4.350 -0.001 0.000 0.270 122 T C 2.055 176.475 174.700 -0.468 0.000 1.088 122 T CA 2.419 63.945 62.100 -0.957 0.000 1.127 122 T CB -0.747 67.590 68.868 -0.884 0.000 0.883 122 T HN 0.399 nan 8.240 nan 0.000 0.493 123 Q N 0.335 119.923 119.800 -0.352 0.000 2.319 123 Q HA 0.222 4.561 4.340 -0.001 0.000 0.202 123 Q C 0.532 176.550 176.000 0.030 0.000 0.896 123 Q CA -0.109 55.615 55.803 -0.132 0.000 0.942 123 Q CB -0.678 28.021 28.738 -0.065 0.000 1.083 123 Q HN 0.792 nan 8.270 nan 0.000 0.510 124 H N 0.345 119.396 119.070 -0.032 0.000 2.852 124 H HA 0.190 4.746 4.556 -0.001 0.000 0.362 124 H C 1.155 176.489 175.328 0.010 0.000 1.122 124 H CA -0.138 55.922 56.048 0.020 0.000 1.419 124 H CB 0.906 30.718 29.762 0.084 0.000 1.401 124 H HN 0.447 nan 8.280 nan 0.000 0.609 125 R N 0.446 121.032 120.500 0.144 0.000 2.092 125 R HA -0.043 4.297 4.340 -0.001 0.000 0.231 125 R C -0.145 176.205 176.300 0.084 0.000 1.119 125 R CA 1.667 57.815 56.100 0.080 0.000 0.970 125 R CB 0.045 30.376 30.300 0.053 0.000 0.864 125 R HN 0.758 nan 8.270 nan 0.000 0.440 126 D N -3.555 116.918 120.400 0.121 0.000 2.825 126 D HA 0.151 4.791 4.640 -0.001 0.000 0.327 126 D C 0.188 176.600 176.300 0.188 0.000 1.277 126 D CA -0.629 53.445 54.000 0.123 0.000 0.950 126 D CB 0.158 41.018 40.800 0.101 0.000 1.438 126 D HN -0.110 nan 8.370 nan 0.000 0.526 127 G N -1.160 107.766 108.800 0.209 0.000 3.233 127 G HA2 0.122 4.081 3.960 -0.001 0.000 0.227 127 G HA3 0.122 4.081 3.960 -0.001 0.000 0.227 127 G C 1.009 176.148 174.900 0.398 0.000 1.175 127 G CA 0.480 45.776 45.100 0.327 0.000 0.781 127 G HN 0.499 nan 8.290 nan 0.000 0.542 128 S N 0.160 116.005 115.700 0.242 0.000 2.399 128 S HA -0.163 4.307 4.470 -0.001 0.000 0.231 128 S C 1.632 176.318 174.600 0.143 0.000 1.022 128 S CA 1.518 59.820 58.200 0.169 0.000 0.983 128 S CB -0.108 63.152 63.200 0.101 0.000 0.803 128 S HN 0.254 nan 8.310 nan 0.000 0.480 129 D N -0.160 120.343 120.400 0.172 0.000 2.349 129 D HA 0.132 4.771 4.640 -0.001 0.000 0.224 129 D C -0.057 176.341 176.300 0.164 0.000 1.029 129 D CA -0.077 54.008 54.000 0.142 0.000 0.879 129 D CB 0.077 40.940 40.800 0.104 0.000 0.906 129 D HN 0.692 nan 8.370 nan 0.000 0.528 130 W N 0.876 122.132 121.300 -0.073 0.000 2.627 130 W HA 0.533 5.192 4.660 -0.001 0.000 0.339 130 W C -1.221 175.094 176.519 -0.339 0.000 1.058 130 W CA -0.603 56.529 57.345 -0.355 0.000 1.223 130 W CB 1.111 30.431 29.460 -0.234 0.000 1.389 130 W HN -0.305 nan 8.180 nan 0.000 0.541 131 E N 5.246 124.539 120.200 -1.512 0.000 2.304 131 E HA 0.202 4.551 4.350 -0.001 0.000 0.277 131 E C -2.618 173.059 176.600 -1.539 0.000 0.898 131 E CA -2.072 53.371 56.400 -1.595 0.000 0.764 131 E CB 2.841 32.071 29.700 -0.784 0.000 1.216 131 E HN 0.147 nan 8.360 nan 0.000 0.419 132 P HA 0.258 nan 4.420 nan 0.000 0.292 132 P C -0.729 176.221 177.300 -0.583 0.000 1.326 132 P CA -0.259 62.284 63.100 -0.928 0.000 0.787 132 P CB 0.645 31.681 31.700 -1.106 0.000 0.903 133 L N 4.425 125.379 121.223 -0.448 0.000 2.307 133 L HA 0.477 4.817 4.340 -0.001 0.000 0.284 133 L C 0.221 176.967 176.870 -0.206 0.000 1.023 133 L CA -1.159 53.506 54.840 -0.293 0.000 0.810 133 L CB 1.800 43.707 42.059 -0.252 0.000 1.231 133 L HN 0.252 nan 8.230 nan 0.000 0.423 134 L N 4.592 125.743 121.223 -0.121 0.000 2.296 134 L HA 0.646 4.986 4.340 -0.001 0.000 0.286 134 L C -0.716 176.194 176.870 0.067 0.000 1.023 134 L CA -0.188 54.643 54.840 -0.015 0.000 0.812 134 L CB 1.752 43.836 42.059 0.041 0.000 1.223 134 L HN 0.280 nan 8.230 nan 0.000 0.421 135 V N 5.577 125.563 119.914 0.120 0.000 2.588 135 V HA 0.520 4.640 4.120 -0.001 0.000 0.304 135 V C -0.594 175.629 176.094 0.215 0.000 1.042 135 V CA -0.746 61.649 62.300 0.158 0.000 0.877 135 V CB 2.089 33.994 31.823 0.137 0.000 0.996 135 V HN 0.496 nan 8.190 nan 0.000 0.425 136 V N 3.522 123.523 119.914 0.144 0.000 2.398 136 V HA 0.791 4.910 4.120 -0.001 0.000 0.286 136 V C 0.706 176.750 176.094 -0.082 0.000 1.026 136 V CA -0.195 62.079 62.300 -0.044 0.000 0.868 136 V CB 1.577 33.310 31.823 -0.151 0.000 0.982 136 V HN 0.974 nan 8.190 nan 0.000 0.443 137 G N 2.973 111.593 108.800 -0.301 0.000 2.432 137 G HA2 0.679 4.638 3.960 -0.001 0.000 0.331 137 G HA3 0.679 4.638 3.960 -0.001 0.000 0.331 137 G C -1.124 173.386 174.900 -0.651 0.000 1.170 137 G CA -0.428 44.133 45.100 -0.898 0.000 0.943 137 G HN 0.696 nan 8.290 nan 0.000 0.483 138 E N 0.863 120.684 120.200 -0.633 0.000 2.224 138 E HA 0.475 4.824 4.350 -0.001 0.000 0.265 138 E C -1.098 175.257 176.600 -0.408 0.000 0.878 138 E CA -0.611 55.543 56.400 -0.410 0.000 0.759 138 E CB 2.114 31.643 29.700 -0.285 0.000 1.164 138 E HN 0.224 nan 8.360 nan 0.000 0.414 139 V N 4.014 123.738 119.914 -0.317 0.000 2.407 139 V HA 0.364 4.484 4.120 -0.001 0.000 0.278 139 V C -0.232 175.739 176.094 -0.204 0.000 1.037 139 V CA -0.249 61.880 62.300 -0.287 0.000 0.900 139 V CB 1.575 33.260 31.823 -0.230 0.000 0.983 139 V HN 0.747 nan 8.190 nan 0.000 0.459 140 T N 6.011 120.447 114.554 -0.196 0.000 2.840 140 T HA 0.494 4.844 4.350 -0.001 0.000 0.287 140 T C -0.404 174.230 174.700 -0.110 0.000 0.991 140 T CA -0.845 61.175 62.100 -0.133 0.000 0.964 140 T CB 1.217 70.015 68.868 -0.117 0.000 0.954 140 T HN 0.806 nan 8.240 nan 0.000 0.438 141 K N 0.796 121.147 120.400 -0.081 0.000 2.295 141 K HA 0.903 5.222 4.320 -0.001 0.000 0.239 141 K C -0.675 175.899 176.600 -0.043 0.000 0.991 141 K CA -0.921 55.331 56.287 -0.058 0.000 0.845 141 K CB 1.736 34.205 32.500 -0.051 0.000 1.197 141 K HN 0.600 nan 8.250 nan 0.000 0.441 142 S N -0.858 114.824 115.700 -0.031 0.000 2.567 142 S HA 0.696 5.165 4.470 -0.001 0.000 0.270 142 S C -1.626 172.963 174.600 -0.019 0.000 1.152 142 S CA -1.037 57.148 58.200 -0.025 0.000 0.835 142 S CB 1.453 64.638 63.200 -0.024 0.000 1.115 142 S HN 0.961 nan 8.310 nan 0.000 0.459 143 A N 0.605 123.414 122.820 -0.018 0.000 2.356 143 A HA 0.962 5.281 4.320 -0.001 0.000 0.310 143 A C -0.298 177.278 177.584 -0.013 0.000 1.075 143 A CA -0.456 51.571 52.037 -0.015 0.000 0.746 143 A CB 1.268 20.258 19.000 -0.016 0.000 1.221 143 A HN 2.034 nan 8.150 nan 0.000 0.443 144 A N 2.576 125.389 122.820 -0.011 0.000 2.343 144 A HA 0.667 4.987 4.320 -0.001 0.000 0.308 144 A C -0.009 177.570 177.584 -0.009 0.000 1.092 144 A CA -0.737 51.294 52.037 -0.010 0.000 0.751 144 A CB -0.024 18.971 19.000 -0.008 0.000 1.203 144 A HN 1.341 nan 8.150 nan 0.000 0.452 145 N N 1.373 120.068 118.700 -0.009 0.000 2.688 145 N HA -0.191 4.549 4.740 -0.001 0.000 0.258 145 N C 1.146 176.651 175.510 -0.009 0.000 1.016 145 N CA 2.486 55.531 53.050 -0.008 0.000 0.747 145 N CB -0.849 37.634 38.487 -0.007 0.000 0.895 145 N HN 2.113 nan 8.380 nan 0.000 0.543 146 G N -1.162 107.632 108.800 -0.010 0.000 2.353 146 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.258 146 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.258 146 G C 0.175 175.067 174.900 -0.014 0.000 1.013 146 G CA 0.932 46.025 45.100 -0.012 0.000 0.622 146 G HN 0.528 nan 8.290 nan 0.000 0.535 147 K N 1.777 122.168 120.400 -0.014 0.000 2.248 147 K HA 0.507 4.826 4.320 -0.001 0.000 0.281 147 K C -0.162 176.428 176.600 -0.017 0.000 1.054 147 K CA -0.080 56.197 56.287 -0.017 0.000 0.903 147 K CB 1.095 33.586 32.500 -0.015 0.000 1.077 147 K HN 0.135 nan 8.250 nan 0.000 0.474 148 T N 2.129 116.671 114.554 -0.021 0.000 2.845 148 T HA 0.320 4.669 4.350 -0.001 0.000 0.288 148 T C 0.090 174.780 174.700 -0.017 0.000 0.980 148 T CA -0.556 61.531 62.100 -0.021 0.000 1.071 148 T CB 1.117 69.969 68.868 -0.026 0.000 0.941 148 T HN 0.739 nan 8.240 nan 0.000 0.487 149 T N -0.781 113.769 114.554 -0.007 0.000 2.864 149 T HA 0.863 5.212 4.350 -0.001 0.000 0.299 149 T C -1.018 173.694 174.700 0.021 0.000 1.166 149 T CA -0.970 61.139 62.100 0.015 0.000 1.007 149 T CB 1.924 70.804 68.868 0.020 0.000 1.219 149 T HN 0.799 nan 8.240 nan 0.000 0.506 150 A N 0.802 123.664 122.820 0.071 0.000 2.569 150 A HA 1.007 5.326 4.320 -0.001 0.000 0.290 150 A C -0.160 177.424 177.584 0.000 0.000 1.136 150 A CA -0.596 51.443 52.037 0.003 0.000 0.710 150 A CB 1.509 20.480 19.000 -0.048 0.000 1.303 150 A HN 1.741 nan 8.150 nan 0.000 0.413 151 T N -1.616 112.841 114.554 -0.161 0.000 2.896 151 T HA 0.767 5.117 4.350 -0.001 0.000 0.297 151 T C -0.938 173.531 174.700 -0.386 0.000 1.108 151 T CA -0.457 61.530 62.100 -0.189 0.000 1.004 151 T CB 1.123 69.942 68.868 -0.081 0.000 1.159 151 T HN 0.647 nan 8.240 nan 0.000 0.499 152 I N 2.375 122.700 120.570 -0.408 0.000 2.478 152 I HA 0.411 4.580 4.170 -0.001 0.000 0.287 152 I C -0.052 175.769 176.117 -0.493 0.000 1.042 152 I CA -0.915 60.071 61.300 -0.523 0.000 1.067 152 I CB 2.316 39.958 38.000 -0.597 0.000 1.233 152 I HN 0.905 nan 8.210 nan 0.000 0.431 153 S N 3.816 119.197 115.700 -0.531 0.000 2.489 153 S HA 0.591 5.060 4.470 -0.001 0.000 0.291 153 S C -1.343 172.885 174.600 -0.620 0.000 1.151 153 S CA -0.656 57.309 58.200 -0.392 0.000 1.082 153 S CB 0.844 63.917 63.200 -0.211 0.000 1.019 153 S HN 0.475 nan 8.310 nan 0.000 0.492 154 W N 1.572 122.850 121.300 -0.037 0.000 2.429 154 W HA 0.614 5.274 4.660 -0.001 0.000 0.314 154 W C 0.884 177.385 176.519 -0.030 0.000 1.062 154 W CA -0.594 56.730 57.345 -0.034 0.000 1.211 154 W CB 1.367 30.817 29.460 -0.017 0.000 1.305 154 W HN 1.067 nan 8.180 nan 0.000 0.476 155 G N 2.266 111.158 108.800 0.154 0.000 2.616 155 G HA2 0.308 4.268 3.960 -0.001 0.000 0.268 155 G HA3 0.308 4.268 3.960 -0.001 0.000 0.268 155 G C -0.608 174.358 174.900 0.111 0.000 1.213 155 G CA -0.720 44.435 45.100 0.093 0.000 0.926 155 G HN 0.271 nan 8.290 nan 0.000 0.523 156 K N 0.691 121.131 120.400 0.066 0.000 2.326 156 K HA 0.342 4.662 4.320 -0.001 0.000 0.275 156 K C -2.096 174.529 176.600 0.041 0.000 1.018 156 K CA -0.941 55.373 56.287 0.045 0.000 0.962 156 K CB 0.681 33.196 32.500 0.025 0.000 0.953 156 K HN 0.158 nan 8.250 nan 0.000 0.475 157 P HA 0.088 nan 4.420 nan 0.000 0.271 157 P C -1.058 176.233 177.300 -0.014 0.000 1.218 157 P CA -0.382 62.714 63.100 -0.008 0.000 0.780 157 P CB 0.717 32.385 31.700 -0.054 0.000 0.901 158 V N 1.983 121.891 119.914 -0.009 0.000 2.487 158 V HA 0.328 4.447 4.120 -0.001 0.000 0.298 158 V C 0.267 176.323 176.094 -0.063 0.000 1.028 158 V CA -0.567 61.729 62.300 -0.007 0.000 0.860 158 V CB 1.741 33.597 31.823 0.056 0.000 0.991 158 V HN 0.568 nan 8.190 nan 0.000 0.427 159 S N 4.363 120.007 115.700 -0.093 0.000 2.545 159 S HA 0.448 4.918 4.470 -0.001 0.000 0.275 159 S C 0.553 175.092 174.600 -0.101 0.000 1.299 159 S CA -0.508 57.590 58.200 -0.170 0.000 1.048 159 S CB 0.485 63.559 63.200 -0.210 0.000 0.938 159 S HN 0.617 nan 8.310 nan 0.000 0.496 160 L N 4.730 125.877 121.223 -0.126 0.000 2.700 160 L HA 0.271 4.611 4.340 -0.001 0.000 0.234 160 L C 2.132 179.073 176.870 0.118 0.000 1.156 160 L CA -0.101 54.760 54.840 0.035 0.000 0.946 160 L CB -0.283 41.810 42.059 0.058 0.000 1.216 160 L HN 0.712 nan 8.230 nan 0.000 0.493 161 K N 1.742 122.103 120.400 -0.066 0.000 2.074 161 K HA -0.158 4.161 4.320 -0.001 0.000 0.209 161 K C -0.592 176.128 176.600 0.200 0.000 1.048 161 K CA 1.575 57.861 56.287 -0.002 0.000 0.926 161 K CB -0.478 31.893 32.500 -0.215 0.000 0.713 161 K HN 0.186 nan 8.250 nan 0.000 0.444 162 P HA -0.103 nan 4.420 nan 0.000 0.225 162 P C 0.427 177.850 177.300 0.205 0.000 1.148 162 P CA 0.980 64.169 63.100 0.148 0.000 0.779 162 P CB 0.119 31.878 31.700 0.098 0.000 0.780 163 L N -3.184 118.213 121.223 0.290 0.000 2.592 163 L HA 0.177 4.516 4.340 -0.001 0.000 0.227 163 L C 0.637 177.798 176.870 0.485 0.000 1.127 163 L CA -0.326 54.733 54.840 0.364 0.000 0.884 163 L CB -0.336 41.974 42.059 0.418 0.000 1.065 163 L HN -0.063 nan 8.230 nan 0.000 0.457 164 F N 3.528 123.623 119.950 0.243 0.000 2.421 164 F HA 0.437 4.963 4.527 -0.001 0.000 0.358 164 F C -1.966 173.767 175.800 -0.111 0.000 1.115 164 F CA -3.612 54.434 58.000 0.076 0.000 1.160 164 F CB 0.312 39.540 39.000 0.379 0.000 1.123 164 F HN -0.181 nan 8.300 nan 0.000 0.508 165 P HA 0.127 nan 4.420 nan 0.000 0.267 165 P C -0.161 176.616 177.300 -0.873 0.000 1.200 165 P CA 0.152 62.843 63.100 -0.681 0.000 0.772 165 P CB 0.836 31.975 31.700 -0.934 0.000 0.855 166 A N 2.401 124.904 122.820 -0.528 0.000 2.119 166 A HA 0.012 4.331 4.320 -0.001 0.000 0.216 166 A C 0.621 177.934 177.584 -0.451 0.000 1.152 166 A CA 0.989 52.776 52.037 -0.415 0.000 0.708 166 A CB -0.560 18.312 19.000 -0.213 0.000 0.805 166 A HN 0.716 nan 8.150 nan 0.000 0.460 167 E N -2.753 117.106 120.200 -0.568 0.000 2.416 167 E HA 0.610 4.960 4.350 -0.001 0.000 0.280 167 E C -1.681 174.566 176.600 -0.589 0.000 1.055 167 E CA -0.918 55.211 56.400 -0.453 0.000 0.825 167 E CB 0.738 30.312 29.700 -0.211 0.000 1.312 167 E HN 0.040 nan 8.360 nan 0.000 0.452 168 F N 1.019 120.921 119.950 -0.080 0.000 2.539 168 F HA 0.292 4.818 4.527 -0.001 0.000 0.328 168 F C -0.253 175.507 175.800 -0.067 0.000 1.148 168 F CA -0.898 57.067 58.000 -0.059 0.000 0.940 168 F CB 1.739 40.741 39.000 0.002 0.000 1.194 168 F HN 0.527 nan 8.300 nan 0.000 0.438 169 D N 3.192 123.656 120.400 0.106 0.000 2.686 169 D HA -0.213 4.426 4.640 -0.001 0.000 0.235 169 D C 1.296 177.603 176.300 0.011 0.000 1.160 169 D CA 1.726 55.745 54.000 0.032 0.000 0.645 169 D CB -0.582 40.216 40.800 -0.003 0.000 1.039 169 D HN 1.116 nan 8.370 nan 0.000 0.423 170 G N -0.465 108.333 108.800 -0.003 0.000 2.328 170 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.256 170 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.256 170 G C 0.596 175.492 174.900 -0.006 0.000 1.014 170 G CA 0.311 45.403 45.100 -0.014 0.000 0.620 170 G HN 0.554 nan 8.290 nan 0.000 0.530 171 I N 2.530 123.116 120.570 0.025 0.000 2.662 171 I HA 0.182 4.351 4.170 -0.001 0.000 0.285 171 I C 1.029 177.166 176.117 0.034 0.000 1.161 171 I CA -0.042 61.295 61.300 0.061 0.000 1.415 171 I CB 0.438 38.515 38.000 0.129 0.000 1.385 171 I HN 0.075 nan 8.210 nan 0.000 0.552 172 L N 6.816 128.045 121.223 0.011 0.000 2.319 172 L HA 0.275 4.614 4.340 -0.001 0.000 0.280 172 L C 0.844 177.713 176.870 -0.001 0.000 1.099 172 L CA -0.592 54.227 54.840 -0.036 0.000 0.828 172 L CB 0.399 42.439 42.059 -0.031 0.000 1.150 172 L HN 0.620 nan 8.230 nan 0.000 0.442 173 T N -0.801 113.691 114.554 -0.103 0.000 2.899 173 T HA 0.291 4.640 4.350 -0.001 0.000 0.284 173 T C 0.383 175.103 174.700 0.034 0.000 1.004 173 T CA -0.599 61.469 62.100 -0.053 0.000 1.043 173 T CB 2.714 71.278 68.868 -0.507 0.000 1.013 173 T HN 0.766 nan 8.240 nan 0.000 0.518 174 K N 0.230 120.723 120.400 0.155 0.000 2.509 174 K HA 0.298 4.617 4.320 -0.001 0.000 0.205 174 K C 0.144 176.750 176.600 0.010 0.000 1.336 174 K CA -0.091 56.255 56.287 0.098 0.000 0.912 174 K CB 0.837 33.350 32.500 0.023 0.000 1.568 174 K HN 0.833 nan 8.250 nan 0.000 0.475 175 E N -0.930 119.187 120.200 -0.138 0.000 2.449 175 E HA 0.348 4.697 4.350 -0.001 0.000 0.278 175 E C -1.652 174.725 176.600 -0.372 0.000 0.992 175 E CA -0.969 54.849 56.400 -0.971 0.000 0.807 175 E CB 2.255 31.327 29.700 -1.047 0.000 1.350 175 E HN 0.133 nan 8.360 nan 0.000 0.462 176 F N -0.474 119.042 119.950 -0.723 0.000 2.654 176 F HA 0.750 5.276 4.527 -0.001 0.000 0.308 176 F C -2.004 173.727 175.800 -0.115 0.000 1.108 176 F CA -0.715 57.163 58.000 -0.204 0.000 0.957 176 F CB 0.990 39.838 39.000 -0.254 0.000 1.309 176 F HN 0.363 nan 8.300 nan 0.000 0.446 177 I N 1.528 122.036 120.570 -0.104 0.000 3.074 177 I HA 0.662 4.831 4.170 -0.001 0.000 0.310 177 I C 0.473 176.584 176.117 -0.011 0.000 1.153 177 I CA -1.324 59.813 61.300 -0.272 0.000 0.993 177 I CB 2.324 39.974 38.000 -0.582 0.000 1.237 177 I HN 1.018 nan 8.210 nan 0.000 0.443 178 G N 0.891 109.628 108.800 -0.104 0.000 2.636 178 G HA2 0.315 4.274 3.960 -0.001 0.000 0.246 178 G HA3 0.315 4.274 3.960 -0.001 0.000 0.246 178 G C 0.956 175.861 174.900 0.009 0.000 1.216 178 G CA 0.091 45.153 45.100 -0.062 0.000 0.854 178 G HN 0.924 nan 8.290 nan 0.000 0.572 179 G N -1.815 107.037 108.800 0.086 0.000 2.559 179 G HA2 0.254 4.213 3.960 -0.001 0.000 0.216 179 G HA3 0.254 4.213 3.960 -0.001 0.000 0.216 179 G C 0.422 175.370 174.900 0.079 0.000 1.126 179 G CA 0.909 46.073 45.100 0.107 0.000 0.778 179 G HN 1.514 nan 8.290 nan 0.000 0.543 180 V N -1.519 118.436 119.914 0.068 0.000 3.368 180 V HA 0.252 4.371 4.120 -0.001 0.000 0.484 180 V C 0.758 176.910 176.094 0.097 0.000 0.682 180 V CA 0.462 62.805 62.300 0.071 0.000 2.029 180 V CB -1.211 30.658 31.823 0.077 0.000 2.476 180 V HN 2.128 nan 8.190 nan 0.000 0.502 181 G N 2.461 111.327 108.800 0.109 0.000 2.548 181 G HA2 0.406 4.366 3.960 -0.001 0.000 0.208 181 G HA3 0.406 4.366 3.960 -0.001 0.000 0.208 181 G C 0.018 175.013 174.900 0.159 0.000 1.308 181 G CA 0.014 45.188 45.100 0.124 0.000 0.924 181 G HN 2.585 nan 8.290 nan 0.000 0.540 182 A N -0.081 122.835 122.820 0.160 0.000 2.354 182 A HA 0.892 5.212 4.320 -0.001 0.000 0.281 182 A C 0.853 178.543 177.584 0.176 0.000 1.174 182 A CA 1.428 53.568 52.037 0.171 0.000 0.828 182 A CB 0.199 19.294 19.000 0.158 0.000 1.099 182 A HN 2.474 nan 8.150 nan 0.000 0.516 183 A N 2.635 125.565 122.820 0.182 0.000 2.869 183 A HA 0.923 5.243 4.320 -0.001 0.000 0.244 183 A C 0.156 177.792 177.584 0.085 0.000 1.374 183 A CA -0.103 52.026 52.037 0.152 0.000 0.913 183 A CB 0.377 19.489 19.000 0.187 0.000 1.589 183 A HN 1.588 nan 8.150 nan 0.000 0.485 184 I N -3.762 116.827 120.570 0.032 0.000 3.279 184 I HA 0.745 4.915 4.170 -0.001 0.000 0.315 184 I C -1.477 174.626 176.117 -0.022 0.000 1.187 184 I CA -1.121 60.192 61.300 0.021 0.000 0.953 184 I CB 1.953 39.975 38.000 0.036 0.000 1.279 184 I HN 0.261 nan 8.210 nan 0.000 0.465 185 V N 2.807 122.716 119.914 -0.007 0.000 2.384 185 V HA 0.686 4.806 4.120 -0.001 0.000 0.287 185 V C 0.772 176.858 176.094 -0.014 0.000 1.020 185 V CA -0.315 61.970 62.300 -0.026 0.000 0.850 185 V CB 1.048 32.864 31.823 -0.011 0.000 0.987 185 V HN 0.951 nan 8.190 nan 0.000 0.436 186 A N 3.793 126.599 122.820 -0.024 0.000 2.310 186 A HA 0.422 4.741 4.320 -0.001 0.000 0.260 186 A C 1.654 179.225 177.584 -0.022 0.000 1.112 186 A CA 0.398 52.422 52.037 -0.022 0.000 0.804 186 A CB 0.237 19.215 19.000 -0.037 0.000 1.081 186 A HN 1.206 nan 8.150 nan 0.000 0.499 187 S N 0.261 115.947 115.700 -0.023 0.000 2.419 187 S HA -0.198 4.272 4.470 -0.001 0.000 0.233 187 S C 1.042 175.627 174.600 -0.025 0.000 1.016 187 S CA 1.450 59.636 58.200 -0.023 0.000 0.974 187 S CB -0.646 62.536 63.200 -0.029 0.000 0.786 187 S HN 0.921 nan 8.310 nan 0.000 0.492 188 N N 1.203 119.885 118.700 -0.030 0.000 2.383 188 N HA 0.252 4.991 4.740 -0.001 0.000 0.192 188 N C 1.230 176.722 175.510 -0.029 0.000 1.141 188 N CA 0.633 53.666 53.050 -0.028 0.000 0.851 188 N CB -0.496 37.973 38.487 -0.031 0.000 0.976 188 N HN 0.620 nan 8.380 nan 0.000 0.465 189 G N -0.517 108.264 108.800 -0.031 0.000 2.199 189 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.254 189 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.254 189 G C -0.234 174.629 174.900 -0.061 0.000 0.982 189 G CA -0.032 45.045 45.100 -0.039 0.000 0.632 189 G HN 0.494 nan 8.290 nan 0.000 0.529 190 N N 0.615 119.285 118.700 -0.051 0.000 2.454 190 N HA 0.395 5.135 4.740 -0.001 0.000 0.254 190 N C 0.724 176.183 175.510 -0.085 0.000 1.228 190 N CA 0.116 53.133 53.050 -0.054 0.000 0.900 190 N CB 0.453 38.946 38.487 0.010 0.000 1.089 190 N HN 0.379 nan 8.380 nan 0.000 0.449 191 L N 1.597 122.725 121.223 -0.159 0.000 2.281 191 L HA 0.311 4.650 4.340 -0.001 0.000 0.285 191 L C -0.316 176.545 176.870 -0.014 0.000 1.074 191 L CA -0.660 54.069 54.840 -0.185 0.000 0.817 191 L CB 0.595 42.453 42.059 -0.336 0.000 1.168 191 L HN 0.094 nan 8.230 nan 0.000 0.434 192 V N 4.452 124.348 119.914 -0.030 0.000 2.326 192 V HA 0.328 4.447 4.120 -0.001 0.000 0.281 192 V C -0.664 175.473 176.094 0.071 0.000 1.015 192 V CA -0.525 61.827 62.300 0.085 0.000 0.823 192 V CB 1.016 32.873 31.823 0.057 0.000 1.009 192 V HN 0.452 nan 8.190 nan 0.000 0.436 193 Y N 6.637 127.070 120.300 0.221 0.000 2.331 193 Y HA 0.495 5.044 4.550 -0.001 0.000 0.338 193 Y C -2.084 173.895 175.900 0.133 0.000 0.992 193 Y CA -2.568 55.617 58.100 0.142 0.000 1.121 193 Y CB 2.722 41.214 38.460 0.054 0.000 1.184 193 Y HN 0.421 nan 8.280 nan 0.000 0.469 194 P HA 0.232 nan 4.420 nan 0.000 0.290 194 P C -1.191 176.249 177.300 0.232 0.000 1.276 194 P CA -0.306 62.950 63.100 0.260 0.000 0.808 194 P CB 2.023 33.860 31.700 0.228 0.000 0.966 195 V N 0.763 120.804 119.914 0.212 0.000 2.914 195 V HA 0.611 4.730 4.120 -0.001 0.000 0.314 195 V C -0.537 175.663 176.094 0.176 0.000 1.084 195 V CA -1.116 61.301 62.300 0.195 0.000 0.963 195 V CB 1.791 33.726 31.823 0.186 0.000 1.025 195 V HN 0.558 nan 8.190 nan 0.000 0.432 196 Q N 2.989 122.905 119.800 0.194 0.000 2.307 196 Q HA 0.798 5.138 4.340 -0.001 0.000 0.262 196 Q C -1.210 174.942 176.000 0.253 0.000 0.961 196 Q CA -0.645 55.276 55.803 0.196 0.000 0.882 196 Q CB 2.367 31.283 28.738 0.297 0.000 1.264 196 Q HN 0.766 nan 8.270 nan 0.000 0.446 197 I N 1.709 122.250 120.570 -0.048 0.000 2.433 197 I HA 0.603 4.772 4.170 -0.001 0.000 0.292 197 I C -0.559 175.459 176.117 -0.165 0.000 1.001 197 I CA -1.007 60.234 61.300 -0.100 0.000 1.119 197 I CB 2.008 39.682 38.000 -0.543 0.000 1.289 197 I HN 0.771 nan 8.210 nan 0.000 0.438 198 A N 4.744 127.560 122.820 -0.006 0.000 2.304 198 A HA 0.593 4.913 4.320 -0.001 0.000 0.323 198 A C -0.640 176.974 177.584 0.050 0.000 1.195 198 A CA -0.641 51.303 52.037 -0.154 0.000 0.826 198 A CB 0.571 19.250 19.000 -0.535 0.000 1.184 198 A HN 0.758 nan 8.150 nan 0.000 0.496 199 D N 2.060 122.541 120.400 0.134 0.000 2.466 199 D HA 0.209 4.849 4.640 -0.001 0.000 0.262 199 D C 1.168 177.487 176.300 0.031 0.000 1.177 199 D CA -0.638 53.460 54.000 0.164 0.000 1.035 199 D CB 0.280 41.225 40.800 0.242 0.000 1.105 199 D HN 0.249 nan 8.370 nan 0.000 0.551 200 M N 0.048 119.662 119.600 0.023 0.000 2.108 200 M HA -0.018 4.462 4.480 -0.001 0.000 0.261 200 M C 2.045 178.325 176.300 -0.033 0.000 1.066 200 M CA 1.852 57.149 55.300 -0.005 0.000 1.107 200 M CB -1.500 31.098 32.600 -0.003 0.000 1.356 200 M HN 0.737 nan 8.290 nan 0.000 0.406 201 G N -1.378 107.391 108.800 -0.051 0.000 2.679 201 G HA2 0.194 4.153 3.960 -0.001 0.000 0.212 201 G HA3 0.194 4.153 3.960 -0.001 0.000 0.212 201 G C 1.145 175.988 174.900 -0.094 0.000 1.137 201 G CA 0.845 45.900 45.100 -0.074 0.000 0.787 201 G HN 0.708 nan 8.290 nan 0.000 0.534 202 G N -0.731 108.007 108.800 -0.104 0.000 2.176 202 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.232 202 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.232 202 G C 0.518 175.332 174.900 -0.142 0.000 0.986 202 G CA -0.095 44.914 45.100 -0.152 0.000 0.643 202 G HN 0.622 nan 8.290 nan 0.000 0.522 203 R N -0.381 120.060 120.500 -0.097 0.000 2.641 203 R HA 0.590 4.929 4.340 -0.001 0.000 0.269 203 R C -0.090 176.292 176.300 0.138 0.000 1.074 203 R CA 0.054 56.133 56.100 -0.034 0.000 1.133 203 R CB 1.797 31.946 30.300 -0.252 0.000 1.029 203 R HN 0.273 nan 8.270 nan 0.000 0.488 204 V N 3.948 124.001 119.914 0.232 0.000 2.769 204 V HA 0.789 4.909 4.120 -0.001 0.000 0.312 204 V C -1.339 175.027 176.094 0.452 0.000 1.061 204 V CA -0.518 61.910 62.300 0.213 0.000 0.931 204 V CB 1.428 33.281 31.823 0.049 0.000 1.010 204 V HN 0.728 nan 8.190 nan 0.000 0.433 205 F N 1.821 121.870 119.950 0.165 0.000 2.741 205 F HA 0.849 5.375 4.527 -0.001 0.000 0.313 205 F C -0.527 175.305 175.800 0.052 0.000 1.153 205 F CA -0.338 57.692 58.000 0.050 0.000 0.931 205 F CB 1.470 40.386 39.000 -0.140 0.000 1.335 205 F HN 0.621 nan 8.300 nan 0.000 0.460 206 T N -0.950 113.659 114.554 0.093 0.000 2.942 206 T HA 0.811 5.160 4.350 -0.001 0.000 0.289 206 T C -1.057 173.645 174.700 0.002 0.000 1.044 206 T CA -0.785 61.359 62.100 0.073 0.000 1.023 206 T CB 2.411 71.434 68.868 0.257 0.000 1.123 206 T HN 0.903 nan 8.240 nan 0.000 0.512 207 K N 0.204 120.687 120.400 0.140 0.000 2.533 207 K HA 0.532 4.851 4.320 -0.001 0.000 0.284 207 K C -1.376 175.463 176.600 0.399 0.000 1.025 207 K CA -1.010 55.378 56.287 0.169 0.000 0.900 207 K CB 2.021 34.516 32.500 -0.007 0.000 1.519 207 K HN 0.460 nan 8.250 nan 0.000 0.432 208 I N 2.278 123.117 120.570 0.448 0.000 2.354 208 I HA 0.351 4.520 4.170 -0.001 0.000 0.292 208 I C -0.314 175.972 176.117 0.281 0.000 0.989 208 I CA -0.367 61.148 61.300 0.359 0.000 1.188 208 I CB 1.332 39.539 38.000 0.344 0.000 1.342 208 I HN 0.611 nan 8.210 nan 0.000 0.457 209 M N 9.014 128.722 119.600 0.181 0.000 2.181 209 M HA 0.416 4.895 4.480 -0.001 0.000 0.323 209 M C -1.686 174.813 176.300 0.332 0.000 1.004 209 M CA -0.563 54.706 55.300 -0.052 0.000 0.941 209 M CB 1.364 33.665 32.600 -0.498 0.000 1.579 209 M HN 0.496 nan 8.290 nan 0.000 0.427 210 Y N 1.603 122.016 120.300 0.187 0.000 2.605 210 Y HA 0.850 5.399 4.550 -0.001 0.000 0.343 210 Y C -1.260 174.616 175.900 -0.040 0.000 1.036 210 Y CA -1.380 56.827 58.100 0.178 0.000 1.065 210 Y CB 1.438 39.931 38.460 0.055 0.000 1.288 210 Y HN 0.554 nan 8.280 nan 0.000 0.481 211 S N 0.205 115.699 115.700 -0.345 0.000 2.557 211 S HA 0.388 4.857 4.470 -0.001 0.000 0.291 211 S C -0.544 173.843 174.600 -0.354 0.000 1.116 211 S CA -0.653 57.096 58.200 -0.753 0.000 0.992 211 S CB 1.212 63.415 63.200 -1.662 0.000 1.028 211 S HN 0.836 nan 8.310 nan 0.000 0.484 212 E N 1.851 121.896 120.200 -0.258 0.000 2.474 212 E HA 0.087 4.437 4.350 -0.001 0.000 0.195 212 E C -0.582 175.922 176.600 -0.159 0.000 1.039 212 E CA 0.141 56.468 56.400 -0.122 0.000 0.881 212 E CB 0.225 29.904 29.700 -0.036 0.000 0.970 212 E HN 0.725 nan 8.360 nan 0.000 0.486 213 D N -0.397 119.856 120.400 -0.245 0.000 2.895 213 D HA 0.052 4.691 4.640 -0.001 0.000 0.350 213 D C -0.669 175.508 176.300 -0.205 0.000 1.389 213 D CA -0.524 53.365 54.000 -0.184 0.000 0.812 213 D CB -0.137 40.574 40.800 -0.149 0.000 1.164 213 D HN -0.194 nan 8.370 nan 0.000 0.455 214 D N 0.491 120.737 120.400 -0.257 0.000 2.772 214 D HA -0.149 4.490 4.640 -0.001 0.000 0.233 214 D C 1.245 177.397 176.300 -0.246 0.000 1.143 214 D CA 1.490 55.343 54.000 -0.245 0.000 0.700 214 D CB -1.352 39.419 40.800 -0.048 0.000 1.076 214 D HN 0.783 nan 8.370 nan 0.000 0.430 215 G N 0.009 108.514 108.800 -0.491 0.000 2.157 215 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.248 215 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.248 215 G C 0.875 175.699 174.900 -0.126 0.000 0.979 215 G CA 0.734 45.633 45.100 -0.336 0.000 0.650 215 G HN 0.502 nan 8.290 nan 0.000 0.529 216 N N 0.755 119.346 118.700 -0.182 0.000 2.135 216 N HA 0.055 4.795 4.740 -0.001 0.000 0.186 216 N C 1.339 176.798 175.510 -0.084 0.000 1.027 216 N CA 2.329 55.343 53.050 -0.060 0.000 0.849 216 N CB 0.008 38.461 38.487 -0.057 0.000 1.002 216 N HN 0.879 nan 8.380 nan 0.000 0.425 217 T N -3.653 110.738 114.554 -0.271 0.000 2.916 217 T HA 0.601 4.950 4.350 -0.001 0.000 0.292 217 T C -1.198 173.179 174.700 -0.537 0.000 1.055 217 T CA -0.833 61.143 62.100 -0.207 0.000 1.009 217 T CB 1.284 70.080 68.868 -0.121 0.000 1.118 217 T HN 0.146 nan 8.240 nan 0.000 0.497 218 W N 0.419 121.674 121.300 -0.074 0.000 2.915 218 W HA 0.677 5.336 4.660 -0.001 0.000 0.337 218 W C -0.483 175.897 176.519 -0.231 0.000 1.102 218 W CA -0.832 56.407 57.345 -0.177 0.000 1.224 218 W CB 2.236 31.615 29.460 -0.134 0.000 1.416 218 W HN 0.631 nan 8.180 nan 0.000 0.503 219 K N 1.926 122.175 120.400 -0.252 0.000 2.422 219 K HA 0.565 4.885 4.320 -0.001 0.000 0.251 219 K C -1.494 174.972 176.600 -0.223 0.000 0.933 219 K CA -1.016 55.118 56.287 -0.256 0.000 0.798 219 K CB 2.103 34.266 32.500 -0.561 0.000 1.238 219 K HN 0.171 nan 8.250 nan 0.000 0.428 220 F N 1.826 121.852 119.950 0.127 0.000 2.391 220 F HA 0.344 4.870 4.527 -0.001 0.000 0.359 220 F C 0.801 176.751 175.800 0.250 0.000 1.122 220 F CA -0.563 57.561 58.000 0.207 0.000 1.120 220 F CB 1.175 40.349 39.000 0.290 0.000 1.142 220 F HN 0.562 nan 8.300 nan 0.000 0.483 221 A N 3.314 126.406 122.820 0.453 0.000 2.406 221 A HA 0.163 4.482 4.320 -0.001 0.000 0.243 221 A C 1.342 179.056 177.584 0.216 0.000 1.082 221 A CA -0.275 51.997 52.037 0.391 0.000 0.786 221 A CB 0.277 19.498 19.000 0.369 0.000 1.029 221 A HN 0.920 nan 8.150 nan 0.000 0.495 222 E N 1.144 121.440 120.200 0.160 0.000 2.110 222 E HA -0.049 4.301 4.350 -0.001 0.000 0.193 222 E C 1.324 177.859 176.600 -0.107 0.000 0.988 222 E CA 0.834 57.265 56.400 0.051 0.000 0.804 222 E CB -0.160 29.580 29.700 0.067 0.000 0.745 222 E HN 0.820 nan 8.360 nan 0.000 0.458 223 G N 0.928 109.644 108.800 -0.139 0.000 2.606 223 G HA2 0.287 4.246 3.960 -0.001 0.000 0.252 223 G HA3 0.287 4.246 3.960 -0.001 0.000 0.252 223 G C -0.204 174.008 174.900 -1.147 0.000 1.206 223 G CA -0.351 44.409 45.100 -0.567 0.000 0.861 223 G HN 0.189 nan 8.290 nan 0.000 0.561 224 R N -1.512 118.055 120.500 -1.555 0.000 2.733 224 R HA 0.630 4.969 4.340 -0.001 0.000 0.272 224 R C -0.220 175.205 176.300 -1.457 0.000 1.029 224 R CA -0.590 54.602 56.100 -1.514 0.000 0.888 224 R CB 0.716 30.605 30.300 -0.685 0.000 1.251 224 R HN 0.695 nan 8.270 nan 0.000 0.464 225 S N 0.251 115.347 115.700 -1.007 0.000 2.681 225 S HA 0.361 4.830 4.470 -0.001 0.000 0.270 225 S C -0.077 174.292 174.600 -0.386 0.000 1.209 225 S CA -0.907 56.913 58.200 -0.634 0.000 0.988 225 S CB 0.811 63.958 63.200 -0.088 0.000 1.006 225 S HN 0.562 nan 8.310 nan 0.000 0.558 226 K N -0.186 120.150 120.400 -0.108 0.000 2.230 226 K HA 0.229 4.549 4.320 -0.001 0.000 0.253 226 K C -0.420 176.104 176.600 -0.127 0.000 1.008 226 K CA -0.024 56.181 56.287 -0.138 0.000 0.910 226 K CB 0.120 32.668 32.500 0.080 0.000 0.994 226 K HN 0.519 nan 8.250 nan 0.000 0.495 227 F N -0.318 119.657 119.950 0.043 0.000 2.490 227 F HA 0.086 4.612 4.527 -0.001 0.000 0.336 227 F C 1.735 177.599 175.800 0.108 0.000 1.178 227 F CA 1.493 59.548 58.000 0.091 0.000 1.301 227 F CB 0.561 39.582 39.000 0.035 0.000 1.175 227 F HN 0.837 nan 8.300 nan 0.000 0.593 228 G N -0.064 108.932 108.800 0.328 0.000 2.213 228 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.236 228 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.236 228 G C -0.385 174.627 174.900 0.187 0.000 0.991 228 G CA -0.307 44.920 45.100 0.211 0.000 0.629 228 G HN 0.751 nan 8.290 nan 0.000 0.517 229 C N 2.107 121.533 119.300 0.210 0.000 2.350 229 C HA 0.876 5.335 4.460 -0.001 0.000 0.348 229 C C 0.945 176.053 174.990 0.197 0.000 1.260 229 C CA 0.379 59.517 59.018 0.201 0.000 1.966 229 C CB 0.855 28.737 27.740 0.237 0.000 2.380 229 C HN 1.034 nan 8.230 nan 0.000 0.535 230 S N 0.538 116.348 115.700 0.183 0.000 2.840 230 S HA 0.551 5.020 4.470 -0.001 0.000 0.307 230 S C -0.809 173.891 174.600 0.166 0.000 1.180 230 S CA -0.759 57.558 58.200 0.194 0.000 0.846 230 S CB 0.327 63.655 63.200 0.213 0.000 1.233 230 S HN 0.739 nan 8.310 nan 0.000 0.548 231 E N 1.769 122.065 120.200 0.159 0.000 1.867 231 E HA -0.141 4.208 4.350 -0.001 0.000 0.164 231 E C -2.246 174.418 176.600 0.106 0.000 1.355 231 E CA 0.390 56.851 56.400 0.102 0.000 0.575 231 E CB -1.325 28.389 29.700 0.024 0.000 1.037 231 E HN 0.421 nan 8.360 nan 0.000 0.286 232 P HA 0.208 nan 4.420 nan 0.000 0.278 232 P C -0.846 176.551 177.300 0.162 0.000 1.238 232 P CA -0.139 63.059 63.100 0.164 0.000 0.794 232 P CB 1.451 33.279 31.700 0.214 0.000 0.955 233 A N 2.587 125.511 122.820 0.174 0.000 2.365 233 A HA 0.642 4.961 4.320 -0.001 0.000 0.318 233 A C -1.023 176.748 177.584 0.311 0.000 1.091 233 A CA -0.820 51.359 52.037 0.237 0.000 0.763 233 A CB 1.685 20.848 19.000 0.270 0.000 1.248 233 A HN 0.425 nan 8.150 nan 0.000 0.442 234 V N 3.462 123.548 119.914 0.286 0.000 2.823 234 V HA 0.844 4.963 4.120 -0.001 0.000 0.312 234 V C -1.407 174.790 176.094 0.172 0.000 1.072 234 V CA -0.539 61.905 62.300 0.240 0.000 0.937 234 V CB 1.737 33.643 31.823 0.138 0.000 1.013 234 V HN 1.332 nan 8.190 nan 0.000 0.430 235 L N 2.695 123.979 121.223 0.102 0.000 2.403 235 L HA 0.775 5.115 4.340 -0.001 0.000 0.253 235 L C -0.756 176.139 176.870 0.042 0.000 1.045 235 L CA -0.708 54.132 54.840 -0.001 0.000 0.845 235 L CB 1.738 43.667 42.059 -0.217 0.000 1.447 235 L HN 0.708 nan 8.230 nan 0.000 0.411 236 E N 0.833 121.068 120.200 0.060 0.000 2.151 236 E HA 0.374 4.723 4.350 -0.001 0.000 0.275 236 E C -2.013 174.691 176.600 0.173 0.000 0.936 236 E CA -0.672 55.778 56.400 0.083 0.000 0.777 236 E CB 1.412 31.132 29.700 0.034 0.000 1.108 236 E HN 0.695 nan 8.360 nan 0.000 0.401 237 W N 5.768 127.045 121.300 -0.039 0.000 2.647 237 W HA 0.212 4.871 4.660 -0.001 0.000 0.328 237 W C -0.915 175.592 176.519 -0.019 0.000 1.018 237 W CA -0.578 56.750 57.345 -0.028 0.000 1.245 237 W CB 0.976 30.422 29.460 -0.023 0.000 1.356 237 W HN 0.798 nan 8.180 nan 0.000 0.443 238 E N 3.487 123.417 120.200 -0.450 0.000 2.199 238 E HA -0.235 4.115 4.350 -0.001 0.000 0.208 238 E C 1.061 177.597 176.600 -0.107 0.000 1.310 238 E CA 1.141 57.344 56.400 -0.329 0.000 0.709 238 E CB -1.289 28.178 29.700 -0.388 0.000 1.127 238 E HN 0.969 nan 8.360 nan 0.000 0.354 239 G N -0.185 108.572 108.800 -0.072 0.000 2.179 239 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.260 239 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.260 239 G C 0.147 175.044 174.900 -0.005 0.000 0.977 239 G CA 0.825 45.904 45.100 -0.035 0.000 0.641 239 G HN 0.315 nan 8.290 nan 0.000 0.533 240 K N -0.331 120.089 120.400 0.034 0.000 2.328 240 K HA 0.726 5.046 4.320 -0.001 0.000 0.246 240 K C 0.033 176.658 176.600 0.041 0.000 0.955 240 K CA -0.978 55.332 56.287 0.037 0.000 0.817 240 K CB 1.989 34.532 32.500 0.072 0.000 1.208 240 K HN 0.092 nan 8.250 nan 0.000 0.432 241 L N 3.104 124.315 121.223 -0.020 0.000 2.326 241 L HA 0.427 4.766 4.340 -0.001 0.000 0.278 241 L C -0.231 176.620 176.870 -0.031 0.000 1.092 241 L CA -0.533 54.286 54.840 -0.035 0.000 0.810 241 L CB 0.529 42.518 42.059 -0.117 0.000 1.153 241 L HN 0.417 nan 8.230 nan 0.000 0.439 242 I N 4.494 125.094 120.570 0.050 0.000 2.382 242 I HA 0.333 4.503 4.170 -0.001 0.000 0.286 242 I C -0.590 175.624 176.117 0.162 0.000 1.002 242 I CA -0.454 60.912 61.300 0.110 0.000 1.135 242 I CB 1.890 40.023 38.000 0.221 0.000 1.288 242 I HN 0.427 nan 8.210 nan 0.000 0.448 243 I N 6.413 126.994 120.570 0.018 0.000 2.330 243 I HA 0.264 4.434 4.170 -0.001 0.000 0.289 243 I C 0.100 176.247 176.117 0.051 0.000 1.001 243 I CA -0.221 61.092 61.300 0.022 0.000 1.193 243 I CB 0.904 38.776 38.000 -0.213 0.000 1.345 243 I HN 0.461 nan 8.210 nan 0.000 0.461 244 N N 6.858 125.554 118.700 -0.008 0.000 2.437 244 N HA 0.295 5.034 4.740 -0.001 0.000 0.259 244 N C -1.190 174.314 175.510 -0.009 0.000 0.983 244 N CA -0.322 52.609 53.050 -0.199 0.000 0.937 244 N CB 0.915 38.946 38.487 -0.761 0.000 1.122 244 N HN 0.539 nan 8.380 nan 0.000 0.499 245 N N 2.045 120.774 118.700 0.048 0.000 2.456 245 N HA 0.202 4.941 4.740 -0.001 0.000 0.296 245 N C -0.124 175.450 175.510 0.106 0.000 1.102 245 N CA -0.486 52.636 53.050 0.119 0.000 0.924 245 N CB 2.249 40.854 38.487 0.196 0.000 1.186 245 N HN 0.453 nan 8.380 nan 0.000 0.492 246 R N 1.082 121.652 120.500 0.117 0.000 2.490 246 R HA 0.308 4.647 4.340 -0.001 0.000 0.280 246 R C -1.174 175.202 176.300 0.127 0.000 1.077 246 R CA -0.159 56.012 56.100 0.119 0.000 1.065 246 R CB 0.491 30.843 30.300 0.086 0.000 1.003 246 R HN 0.270 nan 8.270 nan 0.000 0.470 247 V N 5.032 125.020 119.914 0.123 0.000 2.439 247 V HA 0.116 4.235 4.120 -0.001 0.000 0.277 247 V C -0.931 175.231 176.094 0.114 0.000 1.008 247 V CA -0.966 61.402 62.300 0.113 0.000 0.846 247 V CB 1.359 33.233 31.823 0.085 0.000 1.031 247 V HN 0.845 nan 8.190 nan 0.000 0.441 248 D N 3.604 124.074 120.400 0.117 0.000 2.458 248 D HA 0.332 4.972 4.640 -0.001 0.000 0.243 248 D C 1.349 177.706 176.300 0.096 0.000 1.146 248 D CA 1.708 55.776 54.000 0.113 0.000 0.877 248 D CB 1.460 42.327 40.800 0.111 0.000 1.176 248 D HN 0.955 nan 8.370 nan 0.000 0.461 249 G N 2.243 111.098 108.800 0.091 0.000 2.162 249 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.260 249 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.260 249 G C 0.437 175.377 174.900 0.067 0.000 0.976 249 G CA 0.563 45.707 45.100 0.074 0.000 0.655 249 G HN 0.688 nan 8.290 nan 0.000 0.533 250 N N -2.021 116.722 118.700 0.071 0.000 3.179 250 N HA 0.468 5.207 4.740 -0.001 0.000 0.250 250 N C -0.167 175.382 175.510 0.064 0.000 1.507 250 N CA -1.140 51.951 53.050 0.068 0.000 0.883 250 N CB 0.813 39.346 38.487 0.078 0.000 1.435 250 N HN 0.204 nan 8.380 nan 0.000 0.532 251 R N 1.035 121.581 120.500 0.077 0.000 2.641 251 R HA 0.272 4.611 4.340 -0.001 0.000 0.269 251 R C -0.252 176.033 176.300 -0.024 0.000 1.074 251 R CA -0.133 55.998 56.100 0.051 0.000 1.133 251 R CB 0.394 30.770 30.300 0.128 0.000 1.029 251 R HN 0.386 nan 8.270 nan 0.000 0.488 252 R N 2.002 122.469 120.500 -0.054 0.000 2.449 252 R HA 0.090 4.430 4.340 -0.001 0.000 0.296 252 R C -0.163 175.994 176.300 -0.239 0.000 1.047 252 R CA -0.011 56.042 56.100 -0.079 0.000 1.018 252 R CB 0.211 30.502 30.300 -0.015 0.000 0.962 252 R HN 0.319 nan 8.270 nan 0.000 0.428 253 L N 3.536 124.624 121.223 -0.224 0.000 2.326 253 L HA 0.382 4.722 4.340 -0.001 0.000 0.278 253 L C -0.223 176.470 176.870 -0.295 0.000 1.092 253 L CA -0.721 53.893 54.840 -0.376 0.000 0.810 253 L CB 1.354 43.269 42.059 -0.241 0.000 1.153 253 L HN 0.295 nan 8.230 nan 0.000 0.439 254 V N 3.014 122.664 119.914 -0.440 0.000 2.588 254 V HA 0.461 4.581 4.120 -0.001 0.000 0.304 254 V C -0.923 174.932 176.094 -0.399 0.000 1.042 254 V CA -0.668 61.460 62.300 -0.288 0.000 0.877 254 V CB 1.768 33.447 31.823 -0.240 0.000 0.996 254 V HN 0.431 nan 8.190 nan 0.000 0.425 255 Y N 1.506 121.759 120.300 -0.079 0.000 2.562 255 Y HA 0.661 5.211 4.550 -0.001 0.000 0.343 255 Y C 0.247 176.045 175.900 -0.170 0.000 1.025 255 Y CA -0.899 57.150 58.100 -0.085 0.000 1.082 255 Y CB 1.974 40.425 38.460 -0.016 0.000 1.264 255 Y HN 0.551 nan 8.280 nan 0.000 0.478 256 E N 0.521 120.742 120.200 0.036 0.000 2.266 256 E HA 0.556 4.906 4.350 -0.001 0.000 0.268 256 E C -1.398 175.146 176.600 -0.092 0.000 0.879 256 E CA -0.887 55.488 56.400 -0.041 0.000 0.762 256 E CB 2.350 32.059 29.700 0.014 0.000 1.199 256 E HN 0.392 nan 8.360 nan 0.000 0.422 257 S N 0.980 116.584 115.700 -0.159 0.000 2.614 257 S HA 0.256 4.726 4.470 -0.001 0.000 0.288 257 S C -0.122 174.443 174.600 -0.058 0.000 1.137 257 S CA -0.557 57.569 58.200 -0.123 0.000 0.992 257 S CB 1.384 64.429 63.200 -0.258 0.000 1.026 257 S HN 0.373 nan 8.310 nan 0.000 0.486 258 S N 2.482 118.176 115.700 -0.009 0.000 2.575 258 S HA 0.090 4.559 4.470 -0.001 0.000 0.215 258 S C -0.021 174.570 174.600 -0.014 0.000 0.966 258 S CA 0.040 58.237 58.200 -0.006 0.000 0.911 258 S CB -0.127 63.080 63.200 0.012 0.000 0.780 258 S HN 0.869 nan 8.310 nan 0.000 0.514 259 D N -0.036 120.358 120.400 -0.011 0.000 2.963 259 D HA 0.338 4.978 4.640 -0.001 0.000 0.361 259 D C 0.234 176.500 176.300 -0.057 0.000 1.317 259 D CA -0.677 53.312 54.000 -0.018 0.000 0.832 259 D CB -0.065 40.746 40.800 0.018 0.000 1.135 259 D HN -0.091 nan 8.370 nan 0.000 0.476 260 M N 1.117 120.648 119.600 -0.115 0.000 2.302 260 M HA -0.140 4.340 4.480 -0.001 0.000 0.200 260 M C 1.063 177.263 176.300 -0.166 0.000 0.366 260 M CA 0.886 56.042 55.300 -0.240 0.000 0.440 260 M CB -1.701 30.647 32.600 -0.419 0.000 1.475 260 M HN 0.989 nan 8.290 nan 0.000 0.905 261 G N -0.635 108.159 108.800 -0.009 0.000 2.179 261 G HA2 -0.421 3.538 3.960 -0.001 0.000 0.260 261 G HA3 -0.421 3.538 3.960 -0.001 0.000 0.260 261 G C 0.663 175.789 174.900 0.378 0.000 0.977 261 G CA 0.987 46.241 45.100 0.256 0.000 0.641 261 G HN 0.757 nan 8.290 nan 0.000 0.533 262 K N -0.007 120.510 120.400 0.196 0.000 2.057 262 K HA 0.041 4.361 4.320 -0.001 0.000 0.207 262 K C 0.534 177.250 176.600 0.193 0.000 1.049 262 K CA 1.744 58.132 56.287 0.168 0.000 0.931 262 K CB -0.022 32.542 32.500 0.105 0.000 0.714 262 K HN 0.388 nan 8.250 nan 0.000 0.440 263 T N 0.488 115.189 114.554 0.245 0.000 2.812 263 T HA 0.316 4.666 4.350 -0.001 0.000 0.282 263 T C -1.547 173.410 174.700 0.427 0.000 0.990 263 T CA -0.636 61.615 62.100 0.253 0.000 0.960 263 T CB 0.904 69.858 68.868 0.143 0.000 0.948 263 T HN 0.126 nan 8.240 nan 0.000 0.438 264 W N 2.091 123.386 121.300 -0.009 0.000 2.573 264 W HA 0.689 5.348 4.660 -0.001 0.000 0.326 264 W C -0.919 175.658 176.519 0.098 0.000 1.049 264 W CA -1.008 56.348 57.345 0.017 0.000 1.220 264 W CB 1.189 30.569 29.460 -0.134 0.000 1.373 264 W HN 0.310 nan 8.180 nan 0.000 0.507 265 V N 2.133 122.265 119.914 0.364 0.000 2.531 265 V HA 0.214 4.333 4.120 -0.001 0.000 0.301 265 V C -0.025 176.219 176.094 0.250 0.000 1.034 265 V CA -1.492 60.964 62.300 0.261 0.000 0.865 265 V CB 1.526 33.430 31.823 0.134 0.000 0.995 265 V HN 0.519 nan 8.190 nan 0.000 0.424 266 E N 3.066 123.358 120.200 0.153 0.000 2.414 266 E HA 0.331 4.680 4.350 -0.001 0.000 0.263 266 E C 0.466 176.946 176.600 -0.200 0.000 1.000 266 E CA -0.082 56.190 56.400 -0.213 0.000 0.914 266 E CB 1.047 30.567 29.700 -0.301 0.000 0.948 266 E HN 0.899 nan 8.360 nan 0.000 0.444 267 A N 6.203 128.877 122.820 -0.244 0.000 3.118 267 A HA 0.143 4.463 4.320 -0.001 0.000 0.256 267 A C 0.972 178.433 177.584 -0.206 0.000 1.667 267 A CA -0.211 51.720 52.037 -0.175 0.000 1.338 267 A CB -0.485 18.434 19.000 -0.135 0.000 1.127 267 A HN 0.788 nan 8.150 nan 0.000 0.634 268 L N 0.127 121.166 121.223 -0.308 0.000 2.265 268 L HA -0.102 4.237 4.340 -0.001 0.000 0.215 268 L C 2.370 179.146 176.870 -0.156 0.000 1.117 268 L CA 1.316 55.943 54.840 -0.355 0.000 0.782 268 L CB -0.054 41.533 42.059 -0.788 0.000 0.914 268 L HN 0.642 nan 8.230 nan 0.000 0.441 269 G N -1.656 107.114 108.800 -0.049 0.000 3.042 269 G HA2 0.036 3.996 3.960 -0.001 0.000 0.212 269 G HA3 0.036 3.996 3.960 -0.001 0.000 0.212 269 G C 1.145 176.099 174.900 0.090 0.000 1.166 269 G CA 0.869 46.102 45.100 0.221 0.000 0.767 269 G HN 0.435 nan 8.290 nan 0.000 0.546 270 T N -2.606 111.950 114.554 0.003 0.000 3.451 270 T HA 0.211 4.560 4.350 -0.001 0.000 0.201 270 T C 1.744 176.383 174.700 -0.103 0.000 0.965 270 T CA -0.096 61.964 62.100 -0.066 0.000 1.088 270 T CB 0.024 68.826 68.868 -0.110 0.000 1.251 270 T HN -0.032 nan 8.240 nan 0.000 0.325 271 L N 1.134 122.264 121.223 -0.156 0.000 2.701 271 L HA 0.441 4.781 4.340 -0.001 0.000 0.238 271 L C 1.160 177.860 176.870 -0.283 0.000 1.106 271 L CA -0.231 54.459 54.840 -0.251 0.000 0.898 271 L CB 0.477 42.438 42.059 -0.163 0.000 1.188 271 L HN 0.282 nan 8.230 nan 0.000 0.508 272 S N -0.522 115.035 115.700 -0.238 0.000 2.549 272 S HA 0.070 4.540 4.470 -0.001 0.000 0.283 272 S C 0.702 175.178 174.600 -0.206 0.000 1.320 272 S CA 0.279 58.299 58.200 -0.301 0.000 1.058 272 S CB -0.141 62.847 63.200 -0.353 0.000 0.882 272 S HN 0.587 nan 8.310 nan 0.000 0.498 273 H N 0.386 119.319 119.070 -0.229 0.000 3.641 273 H HA -0.173 4.382 4.556 -0.001 0.000 0.193 273 H C 0.985 176.139 175.328 -0.291 0.000 1.013 273 H CA 0.894 56.815 56.048 -0.211 0.000 1.212 273 H CB -2.026 27.629 29.762 -0.178 0.000 1.089 273 H HN 0.316 nan 8.280 nan 0.000 0.339 274 V N -0.747 118.956 119.914 -0.352 0.000 2.307 274 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 274 V C 1.483 177.169 176.094 -0.680 0.000 1.045 274 V CA 1.743 63.659 62.300 -0.640 0.000 1.024 274 V CB -0.115 31.014 31.823 -1.157 0.000 0.651 274 V HN 0.332 nan 8.190 nan 0.000 0.449 275 W N -0.753 120.292 121.300 -0.425 0.000 2.436 275 W HA 0.612 5.272 4.660 -0.001 0.000 0.347 275 W C 0.321 176.647 176.519 -0.322 0.000 1.136 275 W CA -0.031 57.036 57.345 -0.465 0.000 1.286 275 W CB 1.091 30.184 29.460 -0.612 0.000 1.253 275 W HN 0.002 nan 8.180 nan 0.000 0.617 276 T N -0.219 114.279 114.554 -0.092 0.000 2.671 276 T HA 0.109 4.458 4.350 -0.001 0.000 0.300 276 T C 0.761 175.374 174.700 -0.145 0.000 1.238 276 T CA -0.557 61.491 62.100 -0.087 0.000 1.020 276 T CB 0.728 69.569 68.868 -0.045 0.000 1.503 276 T HN 0.512 nan 8.240 nan 0.000 0.497 277 N N 0.525 119.228 118.700 0.005 0.000 2.373 277 N HA 0.140 4.880 4.740 -0.001 0.000 0.181 277 N C 0.267 175.852 175.510 0.125 0.000 1.082 277 N CA 0.245 53.367 53.050 0.121 0.000 0.885 277 N CB 0.323 38.898 38.487 0.147 0.000 0.977 277 N HN 0.692 nan 8.380 nan 0.000 0.462 278 S N -1.451 114.288 115.700 0.065 0.000 2.656 278 S HA 0.237 4.706 4.470 -0.001 0.000 0.265 278 S C -2.825 171.793 174.600 0.030 0.000 1.110 278 S CA -0.838 57.398 58.200 0.060 0.000 0.821 278 S CB 1.565 64.799 63.200 0.057 0.000 1.099 278 S HN -0.291 nan 8.310 nan 0.000 0.471 279 P HA -0.066 nan 4.420 nan 0.000 0.216 279 P C 1.493 178.794 177.300 0.001 0.000 1.150 279 P CA 2.477 65.582 63.100 0.008 0.000 0.837 279 P CB -0.276 31.429 31.700 0.008 0.000 0.786 280 T N -6.578 107.981 114.554 0.008 0.000 3.081 280 T HA 0.172 4.521 4.350 -0.001 0.000 0.250 280 T C 1.088 175.794 174.700 0.010 0.000 1.100 280 T CA 0.421 62.524 62.100 0.005 0.000 1.038 280 T CB -0.743 68.130 68.868 0.007 0.000 0.962 280 T HN -0.089 nan 8.240 nan 0.000 0.516 281 S N 1.859 117.569 115.700 0.017 0.000 3.127 281 S HA -0.178 4.291 4.470 -0.001 0.000 0.281 281 S C 0.792 175.415 174.600 0.038 0.000 1.293 281 S CA 1.039 59.254 58.200 0.025 0.000 1.156 281 S CB -1.863 61.346 63.200 0.014 0.000 1.389 281 S HN 0.949 nan 8.310 nan 0.000 0.672 282 N N 0.581 119.303 118.700 0.038 0.000 2.321 282 N HA 0.124 4.864 4.740 -0.001 0.000 0.242 282 N C -0.126 175.418 175.510 0.056 0.000 1.141 282 N CA -0.316 52.760 53.050 0.044 0.000 0.864 282 N CB 0.272 38.779 38.487 0.033 0.000 1.100 282 N HN 0.352 nan 8.380 nan 0.000 0.510 283 Q N 0.125 119.965 119.800 0.067 0.000 2.306 283 Q HA 0.217 4.557 4.340 -0.001 0.000 0.269 283 Q C -0.428 175.638 176.000 0.110 0.000 1.053 283 Q CA -0.647 55.206 55.803 0.084 0.000 0.879 283 Q CB 1.524 30.309 28.738 0.078 0.000 1.344 283 Q HN 0.369 nan 8.270 nan 0.000 0.464 284 Q N 1.206 121.086 119.800 0.132 0.000 2.283 284 Q HA -0.078 4.262 4.340 -0.001 0.000 0.301 284 Q C -0.517 175.585 176.000 0.170 0.000 1.063 284 Q CA 0.425 56.324 55.803 0.159 0.000 0.952 284 Q CB 0.574 29.435 28.738 0.204 0.000 1.166 284 Q HN 0.404 nan 8.270 nan 0.000 0.381 285 D N 1.528 122.029 120.400 0.169 0.000 2.511 285 D HA 0.396 5.036 4.640 -0.001 0.000 0.276 285 D C -1.221 175.173 176.300 0.157 0.000 1.220 285 D CA -0.590 53.526 54.000 0.195 0.000 1.077 285 D CB 1.251 42.164 40.800 0.189 0.000 1.126 285 D HN 0.594 nan 8.370 nan 0.000 0.583 286 C N 0.480 119.826 119.300 0.077 0.000 3.090 286 C HA 0.406 4.865 4.460 -0.001 0.000 0.305 286 C C -0.606 174.164 174.990 -0.367 0.000 1.292 286 C CA -0.655 58.278 59.018 -0.141 0.000 1.482 286 C CB 1.457 29.055 27.740 -0.237 0.000 1.897 286 C HN 0.598 nan 8.230 nan 0.000 0.469 287 Q N 2.369 121.722 119.800 -0.745 0.000 2.421 287 Q HA 0.418 4.758 4.340 -0.001 0.000 0.255 287 Q C -0.786 174.904 176.000 -0.517 0.000 1.013 287 Q CA 0.862 56.233 55.803 -0.719 0.000 0.895 287 Q CB 1.128 29.090 28.738 -1.294 0.000 1.271 287 Q HN 0.852 nan 8.270 nan 0.000 0.460 288 S N 1.297 116.794 115.700 -0.337 0.000 2.549 288 S HA 0.388 4.857 4.470 -0.001 0.000 0.280 288 S C -1.029 173.447 174.600 -0.206 0.000 1.109 288 S CA -0.690 57.274 58.200 -0.394 0.000 0.905 288 S CB 1.711 64.564 63.200 -0.579 0.000 1.081 288 S HN 0.724 nan 8.310 nan 0.000 0.477 289 S N 1.399 116.989 115.700 -0.183 0.000 2.585 289 S HA 0.795 5.264 4.470 -0.001 0.000 0.277 289 S C -0.969 173.729 174.600 0.164 0.000 1.241 289 S CA -0.452 57.760 58.200 0.021 0.000 1.041 289 S CB 0.626 63.857 63.200 0.051 0.000 0.987 289 S HN 0.566 nan 8.310 nan 0.000 0.512 290 F N 2.207 122.202 119.950 0.074 0.000 2.831 290 F HA 0.581 5.107 4.527 -0.001 0.000 0.346 290 F C -1.578 174.304 175.800 0.135 0.000 1.224 290 F CA -0.948 57.144 58.000 0.153 0.000 1.048 290 F CB 1.092 40.211 39.000 0.198 0.000 1.339 290 F HN 0.563 nan 8.300 nan 0.000 0.514 291 V N 4.501 124.421 119.914 0.010 0.000 2.789 291 V HA 0.840 4.960 4.120 -0.001 0.000 0.311 291 V C -0.241 175.819 176.094 -0.057 0.000 1.073 291 V CA -0.875 61.415 62.300 -0.015 0.000 0.921 291 V CB 1.765 33.648 31.823 0.100 0.000 1.009 291 V HN 0.908 nan 8.190 nan 0.000 0.426 292 A N 3.871 126.678 122.820 -0.021 0.000 2.301 292 A HA 0.878 5.197 4.320 -0.001 0.000 0.298 292 A C -0.311 177.344 177.584 0.119 0.000 1.185 292 A CA -0.294 51.784 52.037 0.069 0.000 0.830 292 A CB 0.975 20.050 19.000 0.125 0.000 1.112 292 A HN 1.567 nan 8.150 nan 0.000 0.508 293 V N -0.496 119.501 119.914 0.138 0.000 3.181 293 V HA 0.868 4.988 4.120 -0.001 0.000 0.308 293 V C -0.371 175.797 176.094 0.123 0.000 1.214 293 V CA -0.625 61.760 62.300 0.141 0.000 1.053 293 V CB 1.641 33.513 31.823 0.081 0.000 1.069 293 V HN 0.687 nan 8.190 nan 0.000 0.441 294 T N 2.853 117.490 114.554 0.138 0.000 2.791 294 T HA 0.717 5.067 4.350 -0.001 0.000 0.288 294 T C -0.530 174.220 174.700 0.083 0.000 0.999 294 T CA 0.053 62.223 62.100 0.117 0.000 0.952 294 T CB 0.524 69.469 68.868 0.128 0.000 0.938 294 T HN 0.623 nan 8.240 nan 0.000 0.444 295 I N 2.673 123.248 120.570 0.008 0.000 2.436 295 I HA 0.338 4.508 4.170 -0.001 0.000 0.289 295 I C 0.401 176.528 176.117 0.017 0.000 1.010 295 I CA -0.686 60.585 61.300 -0.048 0.000 1.098 295 I CB 1.800 39.688 38.000 -0.186 0.000 1.266 295 I HN 0.570 nan 8.210 nan 0.000 0.434 296 E N 4.585 124.812 120.200 0.043 0.000 2.440 296 E HA -0.234 4.115 4.350 -0.001 0.000 0.246 296 E C 0.905 177.536 176.600 0.053 0.000 1.165 296 E CA 1.136 57.558 56.400 0.037 0.000 0.726 296 E CB -1.213 28.488 29.700 0.000 0.000 1.271 296 E HN 1.094 nan 8.360 nan 0.000 0.397 297 G N -0.790 108.049 108.800 0.066 0.000 2.184 297 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.264 297 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.264 297 G C 0.266 175.209 174.900 0.073 0.000 0.975 297 G CA 0.712 45.850 45.100 0.064 0.000 0.642 297 G HN 0.513 nan 8.290 nan 0.000 0.536 298 K N -0.062 120.392 120.400 0.091 0.000 2.270 298 K HA 0.649 4.968 4.320 -0.001 0.000 0.255 298 K C 0.091 176.777 176.600 0.143 0.000 0.936 298 K CA -1.191 55.170 56.287 0.125 0.000 0.809 298 K CB 0.988 33.599 32.500 0.186 0.000 1.131 298 K HN 0.069 nan 8.250 nan 0.000 0.427 299 R N 2.616 123.198 120.500 0.136 0.000 2.389 299 R HA 0.242 4.582 4.340 -0.001 0.000 0.295 299 R C -0.836 175.718 176.300 0.423 0.000 1.075 299 R CA -0.137 56.066 56.100 0.171 0.000 1.005 299 R CB 0.491 30.762 30.300 -0.049 0.000 0.987 299 R HN 0.456 nan 8.270 nan 0.000 0.452 300 V N 1.020 121.186 119.914 0.421 0.000 3.181 300 V HA 0.641 4.760 4.120 -0.001 0.000 0.308 300 V C -0.560 175.700 176.094 0.277 0.000 1.214 300 V CA -1.228 61.320 62.300 0.415 0.000 1.053 300 V CB 2.385 34.394 31.823 0.310 0.000 1.069 300 V HN 0.674 nan 8.190 nan 0.000 0.441 301 M N 2.274 121.947 119.600 0.121 0.000 2.364 301 M HA 0.654 5.134 4.480 -0.001 0.000 0.334 301 M C -1.184 175.212 176.300 0.160 0.000 1.107 301 M CA -0.417 54.892 55.300 0.015 0.000 0.988 301 M CB 2.055 34.528 32.600 -0.212 0.000 1.673 301 M HN 0.535 nan 8.290 nan 0.000 0.441 302 L N 2.588 123.904 121.223 0.156 0.000 2.334 302 L HA 0.683 5.022 4.340 -0.001 0.000 0.276 302 L C -1.265 175.836 176.870 0.385 0.000 1.014 302 L CA -0.602 54.393 54.840 0.259 0.000 0.815 302 L CB 1.573 43.738 42.059 0.176 0.000 1.268 302 L HN 0.589 nan 8.230 nan 0.000 0.428 303 F N 1.819 121.902 119.950 0.223 0.000 2.561 303 F HA 0.564 5.090 4.527 -0.001 0.000 0.313 303 F C -0.323 175.564 175.800 0.146 0.000 1.126 303 F CA -0.391 57.669 58.000 0.100 0.000 0.918 303 F CB 2.037 40.832 39.000 -0.341 0.000 1.199 303 F HN 0.464 nan 8.300 nan 0.000 0.444 304 T N 2.823 117.042 114.554 -0.558 0.000 2.829 304 T HA 0.580 4.930 4.350 -0.001 0.000 0.280 304 T C -1.413 172.955 174.700 -0.554 0.000 0.999 304 T CA -0.532 61.372 62.100 -0.326 0.000 0.983 304 T CB 1.662 70.432 68.868 -0.163 0.000 0.968 304 T HN 0.817 nan 8.240 nan 0.000 0.446 305 H N 1.702 120.664 119.070 -0.179 0.000 3.140 305 H HA 0.370 4.925 4.556 -0.001 0.000 0.336 305 H C -3.317 172.101 175.328 0.150 0.000 1.142 305 H CA -1.291 54.703 56.048 -0.090 0.000 1.308 305 H CB 2.449 32.134 29.762 -0.127 0.000 1.970 305 H HN 0.420 nan 8.280 nan 0.000 0.521 306 P HA 0.160 nan 4.420 nan 0.000 0.274 306 P C 1.160 178.693 177.300 0.388 0.000 1.231 306 P CA -0.321 62.934 63.100 0.259 0.000 0.790 306 P CB 1.248 33.022 31.700 0.124 0.000 0.951 307 L N 0.978 122.355 121.223 0.256 0.000 2.217 307 L HA -0.064 4.276 4.340 -0.001 0.000 0.211 307 L C 0.694 177.652 176.870 0.148 0.000 1.107 307 L CA 0.771 55.721 54.840 0.184 0.000 0.783 307 L CB -0.763 41.353 42.059 0.095 0.000 0.919 307 L HN 0.526 nan 8.230 nan 0.000 0.442 308 N N 0.025 118.805 118.700 0.132 0.000 2.740 308 N HA -0.213 4.526 4.740 -0.001 0.000 0.248 308 N C 0.668 176.206 175.510 0.047 0.000 1.062 308 N CA 0.320 53.423 53.050 0.088 0.000 0.704 308 N CB -1.208 37.353 38.487 0.123 0.000 0.968 308 N HN 0.273 nan 8.380 nan 0.000 0.547 309 L N -0.365 120.880 121.223 0.037 0.000 2.191 309 L HA -0.159 4.181 4.340 -0.001 0.000 0.212 309 L C 2.022 178.886 176.870 -0.009 0.000 1.103 309 L CA 1.194 56.044 54.840 0.017 0.000 0.769 309 L CB -0.306 41.763 42.059 0.017 0.000 0.908 309 L HN 0.298 nan 8.230 nan 0.000 0.438 310 K N 0.264 120.647 120.400 -0.030 0.000 2.366 310 K HA 0.141 4.461 4.320 -0.001 0.000 0.198 310 K C 0.987 177.531 176.600 -0.094 0.000 1.044 310 K CA 0.470 56.715 56.287 -0.070 0.000 0.973 310 K CB 0.016 32.453 32.500 -0.106 0.000 0.767 310 K HN 0.380 nan 8.250 nan 0.000 0.475 311 G N 1.243 110.003 108.800 -0.066 0.000 2.756 311 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.678 311 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.678 311 G C -0.377 174.452 174.900 -0.117 0.000 1.349 311 G CA -0.308 44.756 45.100 -0.060 0.000 0.847 311 G HN 0.300 nan 8.290 nan 0.000 0.548 312 R N -1.971 118.506 120.500 -0.040 0.000 3.750 312 R HA -0.326 4.013 4.340 -0.001 0.000 0.495 312 R C 1.712 178.056 176.300 0.074 0.000 0.241 312 R CA 3.209 59.326 56.100 0.028 0.000 1.551 312 R CB -1.431 28.831 30.300 -0.062 0.000 0.956 312 R HN 1.676 nan 8.270 nan 0.000 0.584 313 W N 0.027 121.380 121.300 0.088 0.000 3.290 313 W HA 0.277 4.936 4.660 -0.001 0.000 0.287 313 W C 1.318 177.904 176.519 0.112 0.000 1.288 313 W CA -0.363 57.052 57.345 0.116 0.000 1.725 313 W CB 0.086 29.623 29.460 0.128 0.000 1.103 313 W HN 0.223 nan 8.180 nan 0.000 0.670 314 M N 1.738 121.064 119.600 -0.457 0.000 2.080 314 M HA -0.090 4.389 4.480 -0.001 0.000 0.260 314 M C 1.137 177.405 176.300 -0.052 0.000 1.068 314 M CA 1.286 56.399 55.300 -0.311 0.000 1.109 314 M CB -1.808 30.599 32.600 -0.320 0.000 1.342 314 M HN 0.219 nan 8.290 nan 0.000 0.405 315 R N 2.236 122.737 120.500 0.002 0.000 3.333 315 R HA -0.131 4.209 4.340 -0.001 0.000 0.256 315 R C -0.518 175.815 176.300 0.054 0.000 1.010 315 R CA 0.705 56.847 56.100 0.069 0.000 0.680 315 R CB -1.991 28.385 30.300 0.126 0.000 1.102 315 R HN 0.654 nan 8.270 nan 0.000 0.440 316 D N 0.845 121.262 120.400 0.030 0.000 2.357 316 D HA 0.150 4.789 4.640 -0.001 0.000 0.242 316 D C -0.052 176.283 176.300 0.058 0.000 1.153 316 D CA -0.517 53.500 54.000 0.029 0.000 0.918 316 D CB 0.530 41.335 40.800 0.010 0.000 1.181 316 D HN 0.228 nan 8.370 nan 0.000 0.435 317 R N -0.816 119.713 120.500 0.049 0.000 3.076 317 R HA -0.200 4.140 4.340 -0.001 0.000 0.261 317 R C -0.671 175.707 176.300 0.131 0.000 0.930 317 R CA -0.222 55.929 56.100 0.085 0.000 0.649 317 R CB -1.770 28.612 30.300 0.137 0.000 1.350 317 R HN 0.430 nan 8.270 nan 0.000 0.453 318 L N 3.034 124.254 121.223 -0.005 0.000 2.410 318 L HA 0.160 4.500 4.340 -0.001 0.000 0.273 318 L C 0.517 177.342 176.870 -0.075 0.000 1.144 318 L CA 0.621 55.431 54.840 -0.051 0.000 0.863 318 L CB 0.296 42.194 42.059 -0.267 0.000 1.140 318 L HN 0.228 nan 8.230 nan 0.000 0.463 319 H N 4.337 123.302 119.070 -0.174 0.000 2.616 319 H HA 0.522 5.077 4.556 -0.001 0.000 0.353 319 H C -1.198 173.892 175.328 -0.396 0.000 1.170 319 H CA -0.946 54.842 56.048 -0.434 0.000 1.212 319 H CB 2.347 31.558 29.762 -0.918 0.000 1.653 319 H HN 0.518 nan 8.280 nan 0.000 0.537 320 L N 1.987 123.000 121.223 -0.349 0.000 2.356 320 L HA 0.348 4.687 4.340 -0.001 0.000 0.277 320 L C -1.607 175.203 176.870 -0.100 0.000 0.996 320 L CA -0.462 54.320 54.840 -0.096 0.000 0.822 320 L CB 1.239 43.267 42.059 -0.051 0.000 1.256 320 L HN 0.502 nan 8.230 nan 0.000 0.413 321 W N 6.044 127.489 121.300 0.242 0.000 2.706 321 W HA 0.564 5.224 4.660 -0.001 0.000 0.346 321 W C -0.619 176.116 176.519 0.360 0.000 1.071 321 W CA -0.865 56.691 57.345 0.352 0.000 1.206 321 W CB 2.179 31.977 29.460 0.563 0.000 1.413 321 W HN 0.467 nan 8.180 nan 0.000 0.542 322 M N 2.779 122.765 119.600 0.643 0.000 2.263 322 M HA 0.435 4.915 4.480 -0.001 0.000 0.295 322 M C -1.209 175.467 176.300 0.626 0.000 1.028 322 M CA 0.130 55.743 55.300 0.521 0.000 0.921 322 M CB 2.225 35.061 32.600 0.394 0.000 1.601 322 M HN 0.329 nan 8.290 nan 0.000 0.440 323 T N 1.488 116.335 114.554 0.488 0.000 2.909 323 T HA 0.414 4.763 4.350 -0.001 0.000 0.299 323 T C -0.740 174.089 174.700 0.215 0.000 1.073 323 T CA -0.564 61.769 62.100 0.388 0.000 0.999 323 T CB 1.232 70.257 68.868 0.261 0.000 1.098 323 T HN 0.807 nan 8.240 nan 0.000 0.477 324 D N 2.839 123.303 120.400 0.106 0.000 2.525 324 D HA 0.163 4.803 4.640 -0.001 0.000 0.229 324 D C 0.740 177.003 176.300 -0.062 0.000 1.202 324 D CA -0.322 53.753 54.000 0.126 0.000 0.828 324 D CB -0.723 40.186 40.800 0.181 0.000 1.008 324 D HN 0.815 nan 8.370 nan 0.000 0.493 325 N N -0.228 118.304 118.700 -0.280 0.000 2.909 325 N HA -0.256 4.483 4.740 -0.001 0.000 0.242 325 N C 0.349 175.736 175.510 -0.204 0.000 0.975 325 N CA 1.193 54.059 53.050 -0.308 0.000 0.921 325 N CB -0.334 37.933 38.487 -0.367 0.000 1.112 325 N HN 0.427 nan 8.380 nan 0.000 0.581 326 Q N -0.637 119.022 119.800 -0.235 0.000 2.546 326 Q HA 0.228 4.567 4.340 -0.001 0.000 0.203 326 Q C -0.033 175.775 176.000 -0.321 0.000 0.740 326 Q CA -0.124 55.485 55.803 -0.323 0.000 0.879 326 Q CB 0.433 28.955 28.738 -0.360 0.000 1.265 326 Q HN 0.115 nan 8.270 nan 0.000 0.585 327 R N 0.790 121.047 120.500 -0.405 0.000 2.500 327 R HA 0.539 4.879 4.340 -0.001 0.000 0.277 327 R C -0.624 175.676 176.300 -0.001 0.000 1.026 327 R CA 0.048 55.985 56.100 -0.272 0.000 1.058 327 R CB 1.046 30.954 30.300 -0.653 0.000 1.078 327 R HN 0.118 nan 8.270 nan 0.000 0.509 328 I N 2.207 122.918 120.570 0.234 0.000 2.468 328 I HA 0.251 4.421 4.170 -0.001 0.000 0.284 328 I C -1.201 175.255 176.117 0.566 0.000 1.038 328 I CA -0.587 60.935 61.300 0.371 0.000 1.083 328 I CB 1.237 39.328 38.000 0.152 0.000 1.223 328 I HN 0.398 nan 8.210 nan 0.000 0.443 329 F N 5.887 126.183 119.950 0.578 0.000 2.420 329 F HA 0.384 4.910 4.527 -0.001 0.000 0.342 329 F C 0.225 176.302 175.800 0.462 0.000 1.113 329 F CA -0.569 57.726 58.000 0.492 0.000 1.059 329 F CB 0.989 40.236 39.000 0.410 0.000 1.128 329 F HN 0.362 nan 8.300 nan 0.000 0.475 330 D N 5.355 125.483 120.400 -0.455 0.000 2.365 330 D HA 0.148 4.788 4.640 -0.001 0.000 0.237 330 D C 0.849 176.638 176.300 -0.852 0.000 1.190 330 D CA -0.014 53.667 54.000 -0.532 0.000 0.867 330 D CB 1.208 41.819 40.800 -0.314 0.000 1.050 330 D HN 0.390 nan 8.370 nan 0.000 0.491 331 V N 3.371 123.029 119.914 -0.426 0.000 2.515 331 V HA 0.195 4.314 4.120 -0.001 0.000 0.250 331 V C 1.506 177.464 176.094 -0.227 0.000 1.058 331 V CA 1.444 63.659 62.300 -0.140 0.000 1.064 331 V CB -1.185 30.676 31.823 0.064 0.000 0.675 331 V HN 0.874 nan 8.190 nan 0.000 0.461 332 G N -0.882 107.700 108.800 -0.362 0.000 2.334 332 G HA2 0.023 3.982 3.960 -0.001 0.000 0.315 332 G HA3 0.023 3.982 3.960 -0.001 0.000 0.315 332 G C -0.988 173.413 174.900 -0.832 0.000 1.284 332 G CA -0.302 44.537 45.100 -0.435 0.000 0.985 332 G HN 0.221 nan 8.290 nan 0.000 0.504 333 Q N -0.026 119.220 119.800 -0.923 0.000 2.279 333 Q HA 0.563 4.902 4.340 -0.001 0.000 0.256 333 Q C 1.359 177.117 176.000 -0.404 0.000 0.937 333 Q CA -0.223 55.042 55.803 -0.897 0.000 0.933 333 Q CB 0.721 29.096 28.738 -0.604 0.000 1.189 333 Q HN 0.818 nan 8.270 nan 0.000 0.417 334 I N 0.236 120.622 120.570 -0.306 0.000 3.854 334 I HA 0.160 4.329 4.170 -0.001 0.000 0.312 334 I C 0.636 176.707 176.117 -0.077 0.000 1.273 334 I CA -0.364 60.841 61.300 -0.158 0.000 1.298 334 I CB 0.348 38.282 38.000 -0.111 0.000 1.071 334 I HN 0.390 nan 8.210 nan 0.000 0.428 335 S N 1.780 117.406 115.700 -0.123 0.000 2.655 335 S HA 0.549 5.018 4.470 -0.001 0.000 0.265 335 S C -0.107 174.487 174.600 -0.010 0.000 1.240 335 S CA -0.592 57.594 58.200 -0.024 0.000 0.986 335 S CB 1.230 64.384 63.200 -0.077 0.000 0.985 335 S HN 0.255 nan 8.310 nan 0.000 0.562 336 I N 1.675 122.262 120.570 0.027 0.000 2.339 336 I HA 0.544 4.714 4.170 -0.001 0.000 0.290 336 I C 1.242 177.362 176.117 0.005 0.000 0.994 336 I CA -0.102 61.204 61.300 0.010 0.000 1.191 336 I CB 0.560 38.573 38.000 0.022 0.000 1.343 336 I HN 1.142 nan 8.210 nan 0.000 0.458 337 G N 5.861 114.658 108.800 -0.005 0.000 2.596 337 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.295 337 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.295 337 G C 0.304 175.205 174.900 0.003 0.000 1.240 337 G CA 0.566 45.666 45.100 -0.001 0.000 0.985 337 G HN 0.882 nan 8.290 nan 0.000 0.555 338 D N 1.632 122.034 120.400 0.004 0.000 2.525 338 D HA 0.178 4.817 4.640 -0.001 0.000 0.229 338 D C 0.885 177.186 176.300 0.001 0.000 1.202 338 D CA 0.623 54.625 54.000 0.004 0.000 0.828 338 D CB -0.584 40.216 40.800 -0.001 0.000 1.008 338 D HN 0.970 nan 8.370 nan 0.000 0.493 339 E N 0.316 120.521 120.200 0.008 0.000 2.418 339 E HA 0.029 4.379 4.350 -0.001 0.000 0.261 339 E C -0.372 176.236 176.600 0.014 0.000 1.070 339 E CA -0.469 55.938 56.400 0.011 0.000 0.931 339 E CB 0.416 30.133 29.700 0.029 0.000 0.954 339 E HN -0.116 nan 8.360 nan 0.000 0.439 340 N N 1.394 120.097 118.700 0.005 0.000 2.488 340 N HA 0.051 4.790 4.740 -0.001 0.000 0.274 340 N C -0.235 175.310 175.510 0.059 0.000 1.111 340 N CA 0.040 53.096 53.050 0.009 0.000 0.974 340 N CB 1.601 40.071 38.487 -0.028 0.000 1.089 340 N HN 0.661 nan 8.380 nan 0.000 0.465 341 S N 1.199 116.950 115.700 0.084 0.000 4.337 341 S HA 0.882 5.352 4.470 -0.001 0.000 0.207 341 S C 0.683 175.400 174.600 0.195 0.000 1.031 341 S CA 0.316 58.600 58.200 0.139 0.000 1.792 341 S CB 0.840 64.051 63.200 0.019 0.000 0.767 341 S HN 0.641 nan 8.310 nan 0.000 0.736 342 G N -0.431 108.478 108.800 0.182 0.000 2.470 342 G HA2 0.241 4.200 3.960 -0.001 0.000 0.145 342 G HA3 0.241 4.200 3.960 -0.001 0.000 0.145 342 G C -1.615 173.448 174.900 0.272 0.000 1.223 342 G CA -0.618 44.643 45.100 0.269 0.000 1.058 342 G HN 0.557 nan 8.290 nan 0.000 0.469 343 Y N 1.829 122.162 120.300 0.055 0.000 2.457 343 Y HA 0.514 5.063 4.550 -0.001 0.000 0.341 343 Y C 1.292 177.212 175.900 0.034 0.000 1.240 343 Y CA -0.018 58.084 58.100 0.004 0.000 1.437 343 Y CB 1.121 39.580 38.460 -0.002 0.000 1.328 343 Y HN 0.885 nan 8.280 nan 0.000 0.588 344 S N -0.157 115.620 115.700 0.129 0.000 2.638 344 S HA 0.797 5.266 4.470 -0.001 0.000 0.274 344 S C -0.928 173.729 174.600 0.096 0.000 1.157 344 S CA -0.924 57.350 58.200 0.123 0.000 0.826 344 S CB 2.176 65.403 63.200 0.045 0.000 1.139 344 S HN 0.549 nan 8.310 nan 0.000 0.474 345 S N -0.329 115.451 115.700 0.134 0.000 2.541 345 S HA 0.764 5.233 4.470 -0.001 0.000 0.271 345 S C -1.715 172.985 174.600 0.168 0.000 1.133 345 S CA -0.506 57.778 58.200 0.139 0.000 0.876 345 S CB 1.621 64.913 63.200 0.153 0.000 1.105 345 S HN 1.502 nan 8.310 nan 0.000 0.470 346 V N 4.735 124.750 119.914 0.168 0.000 2.789 346 V HA 0.925 5.044 4.120 -0.001 0.000 0.311 346 V C -1.697 174.536 176.094 0.231 0.000 1.073 346 V CA -0.664 61.752 62.300 0.194 0.000 0.921 346 V CB 1.824 33.739 31.823 0.153 0.000 1.009 346 V HN 0.921 nan 8.190 nan 0.000 0.426 347 L N 6.161 127.562 121.223 0.296 0.000 2.455 347 L HA 0.635 4.975 4.340 -0.001 0.000 0.264 347 L C -2.092 175.036 176.870 0.431 0.000 0.968 347 L CA -0.371 54.672 54.840 0.337 0.000 0.827 347 L CB 2.031 44.293 42.059 0.339 0.000 1.317 347 L HN 0.739 nan 8.230 nan 0.000 0.407 348 Y N 4.806 125.238 120.300 0.220 0.000 2.328 348 Y HA 0.645 5.194 4.550 -0.001 0.000 0.333 348 Y C -1.037 174.983 175.900 0.199 0.000 0.958 348 Y CA -0.671 57.541 58.100 0.187 0.000 1.167 348 Y CB 1.010 39.545 38.460 0.126 0.000 1.151 348 Y HN 0.719 nan 8.280 nan 0.000 0.470 349 K N 5.395 125.769 120.400 -0.042 0.000 2.565 349 K HA 0.297 4.616 4.320 -0.001 0.000 0.249 349 K C -1.136 175.395 176.600 -0.115 0.000 0.958 349 K CA -0.444 55.820 56.287 -0.038 0.000 0.806 349 K CB 0.963 33.539 32.500 0.126 0.000 1.194 349 K HN 0.707 nan 8.250 nan 0.000 0.434 350 D N 3.926 124.220 120.400 -0.176 0.000 2.689 350 D HA -0.197 4.442 4.640 -0.001 0.000 0.237 350 D C -0.364 175.831 176.300 -0.175 0.000 1.148 350 D CA 1.875 55.798 54.000 -0.128 0.000 0.656 350 D CB -0.808 39.974 40.800 -0.030 0.000 1.050 350 D HN 1.013 nan 8.370 nan 0.000 0.426 351 D N -1.246 118.912 120.400 -0.403 0.000 2.945 351 D HA -0.202 4.438 4.640 -0.001 0.000 0.225 351 D C -0.652 175.572 176.300 -0.127 0.000 1.158 351 D CA 1.230 55.053 54.000 -0.295 0.000 0.805 351 D CB -0.023 40.748 40.800 -0.047 0.000 1.098 351 D HN 0.353 nan 8.370 nan 0.000 0.426 352 K N -0.116 120.165 120.400 -0.199 0.000 2.422 352 K HA 0.588 4.907 4.320 -0.001 0.000 0.251 352 K C -0.687 175.824 176.600 -0.150 0.000 0.933 352 K CA -1.042 55.161 56.287 -0.141 0.000 0.798 352 K CB 2.159 34.571 32.500 -0.148 0.000 1.238 352 K HN 0.071 nan 8.250 nan 0.000 0.428 353 L N 2.606 123.687 121.223 -0.238 0.000 2.317 353 L HA 0.526 4.865 4.340 -0.001 0.000 0.281 353 L C -1.525 175.067 176.870 -0.463 0.000 1.024 353 L CA -0.251 54.535 54.840 -0.090 0.000 0.810 353 L CB 0.776 42.869 42.059 0.057 0.000 1.240 353 L HN 0.509 nan 8.230 nan 0.000 0.427 354 Y N 1.676 122.047 120.300 0.119 0.000 2.615 354 Y HA 0.721 5.271 4.550 -0.001 0.000 0.341 354 Y C -0.209 175.746 175.900 0.091 0.000 1.089 354 Y CA -0.818 57.306 58.100 0.040 0.000 1.049 354 Y CB 2.255 40.784 38.460 0.115 0.000 1.296 354 Y HN 0.542 nan 8.280 nan 0.000 0.470 355 S N 1.371 117.207 115.700 0.227 0.000 2.546 355 S HA 0.697 5.167 4.470 -0.001 0.000 0.274 355 S C -2.224 172.531 174.600 0.259 0.000 1.121 355 S CA -0.646 57.698 58.200 0.239 0.000 0.887 355 S CB 1.117 64.450 63.200 0.222 0.000 1.094 355 S HN 0.660 nan 8.310 nan 0.000 0.474 356 L N 4.853 126.237 121.223 0.268 0.000 2.372 356 L HA 0.658 4.997 4.340 -0.001 0.000 0.274 356 L C -1.305 175.685 176.870 0.200 0.000 0.988 356 L CA -0.355 54.618 54.840 0.220 0.000 0.833 356 L CB 1.149 43.339 42.059 0.219 0.000 1.236 356 L HN 1.116 nan 8.230 nan 0.000 0.410 357 H N 1.228 120.363 119.070 0.110 0.000 3.008 357 H HA 0.496 5.051 4.556 -0.001 0.000 0.354 357 H C -1.318 174.069 175.328 0.098 0.000 1.252 357 H CA -0.954 55.149 56.048 0.092 0.000 1.117 357 H CB 1.021 30.829 29.762 0.077 0.000 1.857 357 H HN 0.412 nan 8.280 nan 0.000 0.547 358 E N 1.034 121.438 120.200 0.340 0.000 2.373 358 E HA 0.387 4.737 4.350 -0.001 0.000 0.263 358 E C -0.171 176.634 176.600 0.342 0.000 1.073 358 E CA -0.456 56.118 56.400 0.292 0.000 0.894 358 E CB 1.347 31.238 29.700 0.319 0.000 1.008 358 E HN 0.561 nan 8.360 nan 0.000 0.420 359 I N -0.695 120.007 120.570 0.221 0.000 2.582 359 I HA 0.480 4.650 4.170 -0.001 0.000 0.292 359 I C -1.049 175.099 176.117 0.051 0.000 1.066 359 I CA -0.864 60.525 61.300 0.147 0.000 1.053 359 I CB 2.066 40.124 38.000 0.098 0.000 1.241 359 I HN 0.382 nan 8.210 nan 0.000 0.421 360 N N 3.299 121.970 118.700 -0.049 0.000 2.410 360 N HA 0.504 5.243 4.740 -0.001 0.000 0.287 360 N C -1.542 173.860 175.510 -0.179 0.000 1.044 360 N CA -0.240 52.639 53.050 -0.285 0.000 0.881 360 N CB 2.107 40.332 38.487 -0.436 0.000 1.405 360 N HN 0.751 nan 8.380 nan 0.000 0.490 361 T N 2.872 117.324 114.554 -0.171 0.000 2.847 361 T HA 0.298 4.647 4.350 -0.001 0.000 0.291 361 T C -0.234 174.417 174.700 -0.082 0.000 0.998 361 T CA -0.443 61.602 62.100 -0.090 0.000 0.967 361 T CB 0.710 69.547 68.868 -0.051 0.000 0.954 361 T HN 0.694 nan 8.240 nan 0.000 0.441 362 N N 2.993 121.670 118.700 -0.038 0.000 2.725 362 N HA -0.159 4.581 4.740 -0.001 0.000 0.249 362 N C -0.459 175.066 175.510 0.026 0.000 1.103 362 N CA 1.159 54.216 53.050 0.013 0.000 0.707 362 N CB -0.949 37.547 38.487 0.014 0.000 1.043 362 N HN 0.842 nan 8.380 nan 0.000 0.553 363 D N -2.230 118.145 120.400 -0.042 0.000 2.772 363 D HA -0.155 4.485 4.640 -0.001 0.000 0.233 363 D C -0.627 175.699 176.300 0.044 0.000 1.143 363 D CA 0.876 54.836 54.000 -0.067 0.000 0.700 363 D CB -1.258 39.639 40.800 0.162 0.000 1.076 363 D HN 0.296 nan 8.370 nan 0.000 0.430 364 V N 1.077 120.930 119.914 -0.103 0.000 2.444 364 V HA 0.407 4.527 4.120 -0.001 0.000 0.294 364 V C -0.189 175.878 176.094 -0.044 0.000 1.022 364 V CA -0.823 61.504 62.300 0.047 0.000 0.850 364 V CB 1.405 33.159 31.823 -0.115 0.000 0.992 364 V HN -0.018 nan 8.190 nan 0.000 0.426 365 Y N 1.855 122.197 120.300 0.070 0.000 2.360 365 Y HA 0.697 5.247 4.550 -0.001 0.000 0.337 365 Y C 0.698 176.670 175.900 0.120 0.000 1.039 365 Y CA -0.484 57.665 58.100 0.082 0.000 1.109 365 Y CB 2.075 40.576 38.460 0.068 0.000 1.201 365 Y HN 0.568 nan 8.280 nan 0.000 0.458 366 S N 2.593 118.446 115.700 0.254 0.000 2.689 366 S HA 0.729 5.199 4.470 -0.001 0.000 0.306 366 S C -1.038 173.667 174.600 0.174 0.000 1.104 366 S CA -0.899 57.441 58.200 0.233 0.000 0.973 366 S CB 1.158 64.440 63.200 0.137 0.000 1.121 366 S HN 0.459 nan 8.310 nan 0.000 0.523 367 L N 2.185 123.483 121.223 0.126 0.000 2.325 367 L HA 0.586 4.925 4.340 -0.001 0.000 0.281 367 L C -0.489 176.398 176.870 0.029 0.000 1.004 367 L CA -0.954 53.913 54.840 0.046 0.000 0.823 367 L CB 1.559 43.582 42.059 -0.060 0.000 1.236 367 L HN 0.459 nan 8.230 nan 0.000 0.415 368 V N -0.123 119.732 119.914 -0.098 0.000 2.617 368 V HA 0.514 4.633 4.120 -0.001 0.000 0.298 368 V C -0.725 175.366 176.094 -0.006 0.000 1.048 368 V CA -0.629 61.613 62.300 -0.098 0.000 0.964 368 V CB 1.772 33.462 31.823 -0.222 0.000 1.004 368 V HN 0.543 nan 8.190 nan 0.000 0.466 369 F N 4.435 124.344 119.950 -0.068 0.000 2.375 369 F HA 0.761 5.288 4.527 -0.001 0.000 0.361 369 F C -0.488 175.364 175.800 0.087 0.000 1.117 369 F CA -0.975 57.043 58.000 0.029 0.000 1.037 369 F CB 1.251 40.269 39.000 0.031 0.000 1.192 369 F HN 0.461 nan 8.300 nan 0.000 0.452 370 V N 6.805 126.535 119.914 -0.307 0.000 2.435 370 V HA 0.508 4.628 4.120 -0.001 0.000 0.290 370 V C -0.142 175.757 176.094 -0.326 0.000 1.030 370 V CA -0.930 61.223 62.300 -0.246 0.000 0.881 370 V CB 1.661 33.462 31.823 -0.036 0.000 0.983 370 V HN 0.596 nan 8.190 nan 0.000 0.445 371 R N 4.260 124.608 120.500 -0.254 0.000 2.233 371 R HA 0.464 4.804 4.340 -0.001 0.000 0.334 371 R C -0.611 175.581 176.300 -0.181 0.000 1.037 371 R CA -0.392 55.564 56.100 -0.240 0.000 0.920 371 R CB 0.710 30.926 30.300 -0.141 0.000 1.137 371 R HN 0.645 nan 8.270 nan 0.000 0.492 372 L N 5.371 126.476 121.223 -0.197 0.000 2.437 372 L HA 0.135 4.474 4.340 -0.001 0.000 0.243 372 L C 1.221 178.024 176.870 -0.112 0.000 1.346 372 L CA 0.019 54.789 54.840 -0.116 0.000 1.233 372 L CB -0.255 41.760 42.059 -0.073 0.000 1.436 372 L HN 0.695 nan 8.230 nan 0.000 0.416 373 I N 0.536 121.046 120.570 -0.100 0.000 2.235 373 I HA -0.110 4.060 4.170 -0.001 0.000 0.241 373 I C 2.530 178.618 176.117 -0.047 0.000 1.085 373 I CA 1.388 62.643 61.300 -0.075 0.000 1.378 373 I CB -0.279 37.684 38.000 -0.063 0.000 1.076 373 I HN 0.597 nan 8.210 nan 0.000 0.415 374 G N 0.375 109.151 108.800 -0.040 0.000 2.422 374 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 374 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 374 G C 1.456 176.342 174.900 -0.023 0.000 1.146 374 G CA 0.695 45.779 45.100 -0.028 0.000 0.769 374 G HN 0.310 nan 8.290 nan 0.000 0.547 375 E N -0.172 120.011 120.200 -0.029 0.000 2.077 375 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 375 E C 2.289 178.881 176.600 -0.013 0.000 0.989 375 E CA 0.444 56.834 56.400 -0.016 0.000 0.800 375 E CB -0.373 29.311 29.700 -0.026 0.000 0.746 375 E HN 0.342 nan 8.360 nan 0.000 0.452 376 L N 0.978 122.186 121.223 -0.026 0.000 2.083 376 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 376 L C 2.261 179.110 176.870 -0.035 0.000 1.083 376 L CA 1.838 56.661 54.840 -0.027 0.000 0.752 376 L CB -0.508 41.550 42.059 -0.001 0.000 0.899 376 L HN 0.163 nan 8.230 nan 0.000 0.433 377 Q N -1.078 118.704 119.800 -0.029 0.000 2.050 377 Q HA -0.248 4.091 4.340 -0.001 0.000 0.202 377 Q C 2.239 178.206 176.000 -0.054 0.000 0.980 377 Q CA 2.116 57.898 55.803 -0.035 0.000 0.840 377 Q CB -0.276 28.447 28.738 -0.025 0.000 0.898 377 Q HN 0.508 nan 8.270 nan 0.000 0.424 378 L N 0.347 121.546 121.223 -0.039 0.000 2.046 378 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 378 L C 2.188 178.968 176.870 -0.149 0.000 1.077 378 L CA 1.750 56.560 54.840 -0.049 0.000 0.747 378 L CB -0.401 41.692 42.059 0.056 0.000 0.896 378 L HN 0.333 nan 8.230 nan 0.000 0.432 379 M N -0.748 118.787 119.600 -0.108 0.000 2.080 379 M HA -0.261 4.219 4.480 -0.001 0.000 0.260 379 M C 2.211 178.355 176.300 -0.261 0.000 1.068 379 M CA 1.955 57.141 55.300 -0.190 0.000 1.109 379 M CB -0.414 32.125 32.600 -0.102 0.000 1.342 379 M HN 0.129 nan 8.290 nan 0.000 0.405 380 K N -0.559 119.739 120.400 -0.171 0.000 2.097 380 K HA -0.140 4.179 4.320 -0.001 0.000 0.206 380 K C 2.292 178.781 176.600 -0.185 0.000 1.049 380 K CA 1.649 57.847 56.287 -0.149 0.000 0.933 380 K CB -0.374 32.079 32.500 -0.077 0.000 0.717 380 K HN 0.257 nan 8.250 nan 0.000 0.442 381 S N 0.724 116.309 115.700 -0.192 0.000 2.356 381 S HA -0.123 4.346 4.470 -0.001 0.000 0.223 381 S C 2.051 176.469 174.600 -0.304 0.000 1.032 381 S CA 1.194 59.278 58.200 -0.194 0.000 1.005 381 S CB -0.178 62.928 63.200 -0.158 0.000 0.867 381 S HN 0.081 nan 8.310 nan 0.000 0.449 382 V N 1.398 121.016 119.914 -0.495 0.000 2.295 382 V HA -0.111 4.008 4.120 -0.001 0.000 0.246 382 V C 2.513 178.070 176.094 -0.895 0.000 1.049 382 V CA 1.782 63.599 62.300 -0.805 0.000 1.024 382 V CB -0.660 30.390 31.823 -1.288 0.000 0.648 382 V HN 0.437 nan 8.190 nan 0.000 0.447 383 V N -0.207 119.299 119.914 -0.679 0.000 2.407 383 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 383 V C 2.586 178.588 176.094 -0.153 0.000 1.055 383 V CA 1.975 64.026 62.300 -0.416 0.000 1.049 383 V CB -0.772 30.932 31.823 -0.198 0.000 0.662 383 V HN 0.481 nan 8.190 nan 0.000 0.455 384 R N -0.531 119.877 120.500 -0.154 0.000 2.096 384 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 384 R C 2.405 178.687 176.300 -0.031 0.000 1.127 384 R CA 1.836 57.901 56.100 -0.058 0.000 0.968 384 R CB -0.662 29.599 30.300 -0.065 0.000 0.861 384 R HN 0.486 nan 8.270 nan 0.000 0.440 385 T N 0.108 114.602 114.554 -0.099 0.000 2.708 385 T HA -0.163 4.186 4.350 -0.001 0.000 0.266 385 T C 1.275 176.056 174.700 0.135 0.000 1.037 385 T CA 1.234 63.314 62.100 -0.034 0.000 1.146 385 T CB -0.168 68.646 68.868 -0.090 0.000 0.865 385 T HN 0.332 nan 8.240 nan 0.000 0.435 386 W N 1.942 123.266 121.300 0.041 0.000 2.333 386 W HA 0.016 4.675 4.660 -0.001 0.000 0.316 386 W C 2.308 178.924 176.519 0.161 0.000 1.215 386 W CA 0.456 57.910 57.345 0.181 0.000 1.278 386 W CB -1.055 28.536 29.460 0.218 0.000 1.154 386 W HN 0.318 nan 8.180 nan 0.000 0.486 387 K N 0.112 120.711 120.400 0.331 0.000 2.026 387 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 387 K C 1.827 178.528 176.600 0.168 0.000 1.048 387 K CA 1.894 58.312 56.287 0.218 0.000 0.929 387 K CB -0.476 32.112 32.500 0.148 0.000 0.713 387 K HN 0.169 nan 8.250 nan 0.000 0.439 388 E N 0.575 120.850 120.200 0.125 0.000 2.085 388 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 388 E C 2.067 178.737 176.600 0.117 0.000 0.994 388 E CA 1.285 57.741 56.400 0.093 0.000 0.801 388 E CB 0.018 29.743 29.700 0.041 0.000 0.743 388 E HN 0.230 nan 8.360 nan 0.000 0.453 389 E N 1.131 121.393 120.200 0.103 0.000 2.107 389 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 389 E C 1.468 178.203 176.600 0.226 0.000 0.982 389 E CA 1.248 57.714 56.400 0.110 0.000 0.809 389 E CB -0.020 29.604 29.700 -0.127 0.000 0.756 389 E HN 0.101 nan 8.360 nan 0.000 0.459 390 D N 0.091 120.648 120.400 0.261 0.000 2.097 390 D HA -0.122 4.517 4.640 -0.001 0.000 0.195 390 D C 1.517 177.910 176.300 0.156 0.000 0.989 390 D CA 0.944 55.081 54.000 0.228 0.000 0.827 390 D CB -0.356 40.572 40.800 0.214 0.000 0.966 390 D HN 0.180 nan 8.370 nan 0.000 0.456 391 N N -0.105 118.685 118.700 0.149 0.000 2.166 391 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 391 N C 1.706 177.285 175.510 0.115 0.000 1.019 391 N CA 0.860 53.977 53.050 0.112 0.000 0.856 391 N CB -0.558 37.990 38.487 0.103 0.000 0.993 391 N HN 0.410 nan 8.380 nan 0.000 0.426 392 H N 1.001 120.108 119.070 0.062 0.000 2.293 392 H HA 0.074 4.629 4.556 -0.001 0.000 0.300 392 H C 2.096 177.455 175.328 0.051 0.000 1.082 392 H CA 1.471 57.551 56.048 0.053 0.000 1.308 392 H CB -0.408 29.389 29.762 0.059 0.000 1.375 392 H HN 0.061 nan 8.280 nan 0.000 0.495 393 L N -0.163 121.081 121.223 0.034 0.000 2.012 393 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 393 L C 2.793 179.622 176.870 -0.069 0.000 1.073 393 L CA 1.143 55.956 54.840 -0.046 0.000 0.748 393 L CB -0.760 41.332 42.059 0.055 0.000 0.891 393 L HN 0.469 nan 8.230 nan 0.000 0.431 394 A N -1.205 121.607 122.820 -0.013 0.000 2.125 394 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 394 A C 2.312 179.873 177.584 -0.039 0.000 1.156 394 A CA 1.722 53.750 52.037 -0.015 0.000 0.671 394 A CB -0.329 18.680 19.000 0.015 0.000 0.794 394 A HN 0.395 nan 8.150 nan 0.000 0.459 395 S N -0.659 115.000 115.700 -0.068 0.000 2.548 395 S HA 0.262 4.731 4.470 -0.001 0.000 0.215 395 S C 0.550 175.085 174.600 -0.109 0.000 0.976 395 S CA -0.409 57.748 58.200 -0.072 0.000 0.908 395 S CB -0.235 62.936 63.200 -0.049 0.000 0.781 395 S HN 0.507 nan 8.310 nan 0.000 0.519 396 I N 1.618 122.093 120.570 -0.158 0.000 2.710 396 I HA -0.032 4.137 4.170 -0.001 0.000 0.286 396 I C 0.473 176.540 176.117 -0.082 0.000 1.181 396 I CA -0.163 61.051 61.300 -0.144 0.000 1.430 396 I CB 0.338 38.248 38.000 -0.151 0.000 1.367 396 I HN 0.168 nan 8.210 nan 0.000 0.577 397 c N 7.722 126.283 118.600 -0.065 0.000 2.227 397 c HA 0.357 4.926 4.570 -0.001 0.000 0.333 397 c C 1.015 175.075 174.090 -0.049 0.000 1.145 397 c CA -0.550 55.750 56.329 -0.048 0.000 1.643 397 c CB -1.303 41.184 42.510 -0.037 0.000 2.185 397 c HN 0.880 nan 8.230 nan 0.000 0.497 398 T N 4.875 119.399 114.554 -0.050 0.000 2.849 398 T HA 0.476 4.826 4.350 -0.001 0.000 0.284 398 T C -2.668 172.002 174.700 -0.050 0.000 1.004 398 T CA -1.346 60.722 62.100 -0.055 0.000 1.021 398 T CB 0.728 69.563 68.868 -0.056 0.000 1.013 398 T HN 0.491 nan 8.240 nan 0.000 0.527 399 P HA 0.215 nan 4.420 nan 0.000 0.268 399 P C 0.093 177.370 177.300 -0.037 0.000 1.205 399 P CA -0.599 62.471 63.100 -0.050 0.000 0.771 399 P CB 0.237 31.897 31.700 -0.067 0.000 0.858 400 V N 1.960 121.857 119.914 -0.028 0.000 2.963 400 V HA 0.362 4.481 4.120 -0.001 0.000 0.306 400 V C 0.335 176.420 176.094 -0.015 0.000 1.077 400 V CA -0.283 62.005 62.300 -0.020 0.000 1.124 400 V CB 0.457 32.270 31.823 -0.016 0.000 0.987 400 V HN 0.404 nan 8.190 nan 0.000 0.487 401 V N -0.355 119.553 119.914 -0.010 0.000 3.046 401 V HA 0.585 4.704 4.120 -0.001 0.000 0.316 401 V C -1.733 174.361 176.094 -0.000 0.000 1.104 401 V CA -2.075 60.224 62.300 -0.001 0.000 1.006 401 V CB 0.956 32.780 31.823 0.001 0.000 1.058 401 V HN 0.617 nan 8.190 nan 0.000 0.440 402 P HA -0.062 nan 4.420 nan 0.000 0.219 402 P C 0.499 177.799 177.300 0.000 0.000 1.144 402 P CA 2.110 65.212 63.100 0.004 0.000 0.806 402 P CB 0.119 31.824 31.700 0.008 0.000 0.771 403 A N -1.401 121.418 122.820 -0.002 0.000 3.214 403 A HA 0.415 4.734 4.320 -0.001 0.000 0.304 403 A C 0.362 177.941 177.584 -0.008 0.000 0.969 403 A CA -0.211 51.824 52.037 -0.005 0.000 0.986 403 A CB -0.176 18.820 19.000 -0.005 0.000 1.073 403 A HN -0.028 nan 8.150 nan 0.000 0.487 404 T N 0.784 115.333 114.554 -0.009 0.000 2.892 404 T HA 0.893 5.242 4.350 -0.001 0.000 0.280 404 T C -1.040 173.654 174.700 -0.010 0.000 1.004 404 T CA 0.234 62.327 62.100 -0.011 0.000 0.950 404 T CB 1.264 70.124 68.868 -0.013 0.000 1.309 404 T HN 0.701 nan 8.240 nan 0.000 0.592 409 G N -0.224 108.569 108.800 -0.012 0.000 3.448 409 G HA2 0.514 4.473 3.960 -0.001 0.000 0.261 409 G HA3 0.514 4.473 3.960 -0.001 0.000 0.261 409 G C 1.176 176.068 174.900 -0.014 0.000 1.173 409 G CA 0.995 46.088 45.100 -0.012 0.000 0.835 409 G HN 2.340 nan 8.290 nan 0.000 0.534 410 G N -0.966 107.826 108.800 -0.014 0.000 2.225 410 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.264 410 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.264 410 G C 0.174 175.063 174.900 -0.019 0.000 1.060 410 G CA 0.034 45.126 45.100 -0.015 0.000 0.833 410 G HN 0.606 nan 8.290 nan 0.000 0.498 411 c N -0.423 118.165 118.600 -0.020 0.000 2.529 411 c HA 0.917 5.487 4.570 -0.001 0.000 0.329 411 c C 1.442 175.517 174.090 -0.025 0.000 1.194 411 c CA -0.076 56.237 56.329 -0.025 0.000 1.779 411 c CB 1.285 43.778 42.510 -0.028 0.000 2.322 411 c HN 0.840 nan 8.230 nan 0.000 0.500 412 G N 0.716 109.499 108.800 -0.029 0.000 2.494 412 G HA2 0.541 4.500 3.960 -0.001 0.000 0.270 412 G HA3 0.541 4.500 3.960 -0.001 0.000 0.270 412 G C 0.111 174.993 174.900 -0.031 0.000 1.423 412 G CA 0.071 45.154 45.100 -0.029 0.000 1.055 412 G HN 1.202 nan 8.290 nan 0.000 0.536 413 A N -1.047 121.753 122.820 -0.032 0.000 2.466 413 A HA 0.563 4.882 4.320 -0.001 0.000 0.238 413 A C 0.943 178.504 177.584 -0.038 0.000 1.074 413 A CA 0.464 52.480 52.037 -0.035 0.000 0.774 413 A CB -0.278 18.699 19.000 -0.039 0.000 1.015 413 A HN 1.752 nan 8.150 nan 0.000 0.498 414 A N 1.254 124.053 122.820 -0.036 0.000 2.445 414 A HA 0.467 4.786 4.320 -0.001 0.000 0.242 414 A C 0.399 177.962 177.584 -0.036 0.000 1.075 414 A CA -0.308 51.708 52.037 -0.035 0.000 0.777 414 A CB -0.128 18.855 19.000 -0.027 0.000 1.013 414 A HN 1.161 nan 8.150 nan 0.000 0.493 415 V N 4.593 124.487 119.914 -0.035 0.000 2.599 415 V HA 0.114 4.234 4.120 -0.001 0.000 0.300 415 V C -1.608 174.483 176.094 -0.005 0.000 1.034 415 V CA -0.556 61.730 62.300 -0.024 0.000 1.115 415 V CB 0.469 32.276 31.823 -0.027 0.000 0.934 415 V HN 0.846 nan 8.190 nan 0.000 0.485 416 P HA 0.139 nan 4.420 nan 0.000 0.271 416 P C 0.360 177.748 177.300 0.147 0.000 1.220 416 P CA 0.042 63.154 63.100 0.020 0.000 0.768 416 P CB 0.952 32.581 31.700 -0.117 0.000 0.848 417 T N -1.282 113.329 114.554 0.094 0.000 2.958 417 T HA 0.316 4.666 4.350 -0.001 0.000 0.256 417 T C 0.847 175.568 174.700 0.035 0.000 0.983 417 T CA -0.079 62.064 62.100 0.071 0.000 0.924 417 T CB -0.017 68.879 68.868 0.046 0.000 1.136 417 T HN 0.428 nan 8.240 nan 0.000 0.506 418 A N 1.003 123.847 122.820 0.040 0.000 2.454 418 A HA 0.593 4.913 4.320 -0.001 0.000 0.260 418 A C 1.660 179.260 177.584 0.027 0.000 1.106 418 A CA 0.268 52.309 52.037 0.005 0.000 0.780 418 A CB -1.007 17.989 19.000 -0.006 0.000 1.044 418 A HN 1.485 nan 8.150 nan 0.000 0.498 419 G N 1.348 110.116 108.800 -0.054 0.000 2.179 419 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.260 419 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.260 419 G C 0.239 175.042 174.900 -0.162 0.000 0.977 419 G CA 0.335 45.377 45.100 -0.095 0.000 0.641 419 G HN 1.151 nan 8.290 nan 0.000 0.533 420 L N 1.432 122.495 121.223 -0.266 0.000 2.456 420 L HA 0.433 4.773 4.340 -0.001 0.000 0.277 420 L C 1.612 178.054 176.870 -0.714 0.000 1.124 420 L CA -0.390 54.027 54.840 -0.705 0.000 0.880 420 L CB 0.932 42.635 42.059 -0.594 0.000 1.192 420 L HN -0.006 nan 8.230 nan 0.000 0.463 421 V N 4.468 123.989 119.914 -0.656 0.000 2.672 421 V HA 0.304 4.424 4.120 -0.001 0.000 0.242 421 V C 1.015 176.908 176.094 -0.335 0.000 1.059 421 V CA 0.873 62.856 62.300 -0.527 0.000 1.081 421 V CB 0.332 31.862 31.823 -0.489 0.000 0.752 421 V HN 0.842 nan 8.190 nan 0.000 0.472 422 G N -1.375 107.321 108.800 -0.174 0.000 2.672 422 G HA2 0.638 4.597 3.960 -0.001 0.000 0.292 422 G HA3 0.638 4.597 3.960 -0.001 0.000 0.292 422 G C -1.974 173.260 174.900 0.557 0.000 1.375 422 G CA -0.454 44.854 45.100 0.347 0.000 0.890 422 G HN 0.025 nan 8.290 nan 0.000 0.476 423 F N 1.110 121.327 119.950 0.444 0.000 2.651 423 F HA 0.509 5.035 4.527 -0.002 0.000 0.329 423 F C -1.445 174.319 175.800 -0.059 0.000 1.186 423 F CA -1.129 56.985 58.000 0.189 0.000 1.046 423 F CB 1.348 40.510 39.000 0.270 0.000 1.296 423 F HN 0.307 nan 8.300 nan 0.000 0.497 424 L N 6.277 127.227 121.223 -0.454 0.000 2.280 424 L HA 0.507 4.846 4.340 -0.001 0.000 0.287 424 L C -0.017 176.414 176.870 -0.731 0.000 1.023 424 L CA -0.143 54.095 54.840 -1.004 0.000 0.819 424 L CB 1.448 42.271 42.059 -2.060 0.000 1.212 424 L HN 0.683 nan 8.230 nan 0.000 0.420 425 S N 0.454 115.889 115.700 -0.442 0.000 4.228 425 S HA 0.164 4.633 4.470 -0.001 0.000 0.207 425 S C 1.197 175.898 174.600 0.169 0.000 1.152 425 S CA -0.225 57.851 58.200 -0.207 0.000 1.645 425 S CB 0.179 62.948 63.200 -0.718 0.000 1.307 425 S HN 0.776 nan 8.310 nan 0.000 0.761 426 H N 1.199 120.248 119.070 -0.034 0.000 2.299 426 H HA 0.138 4.694 4.556 -0.001 0.000 0.302 426 H C 0.838 176.170 175.328 0.007 0.000 1.078 426 H CA 1.550 57.595 56.048 -0.005 0.000 1.323 426 H CB -0.640 29.102 29.762 -0.034 0.000 1.381 426 H HN 0.419 nan 8.280 nan 0.000 0.498 427 S N 0.421 116.143 115.700 0.036 0.000 2.546 427 S HA 0.366 4.835 4.470 -0.001 0.000 0.290 427 S C -0.485 174.130 174.600 0.025 0.000 1.262 427 S CA 0.219 58.424 58.200 0.009 0.000 1.083 427 S CB -0.265 62.964 63.200 0.048 0.000 0.859 427 S HN 0.646 nan 8.310 nan 0.000 0.495 428 A N 4.366 127.139 122.820 -0.080 0.000 2.567 428 A HA 0.617 4.937 4.320 -0.001 0.000 0.291 428 A C -0.622 176.889 177.584 -0.122 0.000 1.048 428 A CA -0.806 51.173 52.037 -0.098 0.000 0.661 428 A CB 0.734 19.538 19.000 -0.327 0.000 1.288 428 A HN 0.864 nan 8.150 nan 0.000 0.424 429 N N -0.769 117.878 118.700 -0.089 0.000 3.470 429 N HA 0.621 5.360 4.740 -0.001 0.000 0.361 429 N C 0.991 176.450 175.510 -0.085 0.000 1.536 429 N CA 0.176 53.181 53.050 -0.075 0.000 0.642 429 N CB -0.045 38.425 38.487 -0.029 0.000 2.002 429 N HN 0.867 nan 8.380 nan 0.000 0.620 430 G N -1.623 107.147 108.800 -0.050 0.000 2.744 430 G HA2 0.017 3.976 3.960 -0.001 0.000 0.211 430 G HA3 0.017 3.976 3.960 -0.001 0.000 0.211 430 G C 0.887 175.782 174.900 -0.009 0.000 1.146 430 G CA 0.743 45.818 45.100 -0.041 0.000 0.787 430 G HN 0.542 nan 8.290 nan 0.000 0.534 431 S N -1.083 114.621 115.700 0.006 0.000 2.554 431 S HA 0.367 4.837 4.470 -0.001 0.000 0.227 431 S C 0.082 174.717 174.600 0.059 0.000 1.050 431 S CA -0.036 58.183 58.200 0.031 0.000 0.927 431 S CB 0.536 63.752 63.200 0.027 0.000 0.859 431 S HN -0.074 nan 8.310 nan 0.000 0.494 432 V N 2.066 122.017 119.914 0.062 0.000 2.638 432 V HA 0.487 4.606 4.120 -0.001 0.000 0.306 432 V C -1.419 174.766 176.094 0.153 0.000 1.052 432 V CA -0.814 61.550 62.300 0.107 0.000 0.885 432 V CB 1.713 33.591 31.823 0.091 0.000 0.999 432 V HN 0.486 nan 8.190 nan 0.000 0.424 433 W N 4.259 125.537 121.300 -0.037 0.000 2.294 433 W HA 0.540 5.199 4.660 -0.002 0.000 0.314 433 W C 0.080 176.546 176.519 -0.089 0.000 1.044 433 W CA -1.300 55.993 57.345 -0.088 0.000 1.284 433 W CB 0.960 30.346 29.460 -0.123 0.000 1.231 433 W HN 0.658 nan 8.180 nan 0.000 0.419 434 E N 2.789 123.136 120.200 0.245 0.000 2.338 434 E HA -0.023 4.327 4.350 -0.001 0.000 0.272 434 E C -0.424 176.189 176.600 0.020 0.000 1.029 434 E CA -0.138 56.330 56.400 0.114 0.000 0.872 434 E CB 0.923 30.686 29.700 0.106 0.000 1.015 434 E HN 0.199 nan 8.360 nan 0.000 0.417 435 D N 2.459 122.921 120.400 0.103 0.000 2.343 435 D HA -0.026 4.614 4.640 -0.001 0.000 0.255 435 D C 0.666 177.075 176.300 0.182 0.000 1.187 435 D CA -0.111 54.005 54.000 0.193 0.000 0.875 435 D CB 1.286 42.333 40.800 0.411 0.000 1.136 435 D HN 0.137 nan 8.370 nan 0.000 0.469 436 V N 4.232 124.217 119.914 0.119 0.000 2.568 436 V HA -0.257 3.863 4.120 -0.001 0.000 0.253 436 V C 1.194 177.296 176.094 0.013 0.000 1.072 436 V CA 1.483 63.792 62.300 0.016 0.000 1.084 436 V CB -0.868 30.925 31.823 -0.049 0.000 0.676 436 V HN 0.646 nan 8.190 nan 0.000 0.469 437 Y N -0.308 120.177 120.300 0.308 0.000 2.471 437 Y HA 0.234 4.784 4.550 -0.001 0.000 0.286 437 Y C 1.422 177.628 175.900 0.509 0.000 1.188 437 Y CA -0.204 58.145 58.100 0.415 0.000 1.286 437 Y CB -0.250 38.380 38.460 0.282 0.000 1.072 437 Y HN 0.196 nan 8.280 nan 0.000 0.517 438 R N -2.831 117.937 120.500 0.448 0.000 3.875 438 R HA -0.269 4.070 4.340 -0.001 0.000 0.321 438 R C 0.590 177.233 176.300 0.572 0.000 1.196 438 R CA 0.743 57.091 56.100 0.413 0.000 0.868 438 R CB -2.618 27.838 30.300 0.260 0.000 1.333 438 R HN 0.434 nan 8.270 nan 0.000 0.522 439 C N -1.319 118.320 119.300 0.564 0.000 2.426 439 C HA 0.228 4.687 4.460 -0.001 0.000 0.318 439 C C 0.949 176.126 174.990 0.313 0.000 1.451 439 C CA 0.271 59.596 59.018 0.512 0.000 2.090 439 C CB 0.686 28.734 27.740 0.513 0.000 2.151 439 C HN 0.246 nan 8.230 nan 0.000 0.608 440 V N 2.813 122.919 119.914 0.320 0.000 2.380 440 V HA 0.341 4.461 4.120 -0.001 0.000 0.286 440 V C -1.265 175.102 176.094 0.454 0.000 1.015 440 V CA -0.340 62.099 62.300 0.231 0.000 0.834 440 V CB 1.039 32.755 31.823 -0.178 0.000 1.009 440 V HN 0.363 nan 8.190 nan 0.000 0.428 441 D N 2.981 123.561 120.400 0.301 0.000 2.358 441 D HA 0.630 5.269 4.640 -0.001 0.000 0.244 441 D C 0.303 176.743 176.300 0.233 0.000 1.163 441 D CA 0.070 54.209 54.000 0.232 0.000 0.945 441 D CB 1.956 42.855 40.800 0.166 0.000 1.152 441 D HN 0.666 nan 8.370 nan 0.000 0.451 442 A N 1.299 124.151 122.820 0.053 0.000 2.312 442 A HA 0.427 4.746 4.320 -0.001 0.000 0.328 442 A C -0.139 177.543 177.584 0.163 0.000 1.158 442 A CA -0.773 51.312 52.037 0.080 0.000 0.821 442 A CB 0.591 19.483 19.000 -0.181 0.000 1.170 442 A HN 0.435 nan 8.150 nan 0.000 0.490 443 N N 0.565 119.363 118.700 0.163 0.000 2.479 443 N HA 0.490 5.230 4.740 -0.001 0.000 0.285 443 N C -0.845 174.748 175.510 0.138 0.000 1.075 443 N CA -0.135 52.991 53.050 0.127 0.000 0.967 443 N CB 1.793 40.331 38.487 0.085 0.000 1.137 443 N HN 0.320 nan 8.380 nan 0.000 0.472 444 V N 0.374 120.361 119.914 0.122 0.000 2.864 444 V HA 0.876 4.995 4.120 -0.001 0.000 0.314 444 V C -0.203 175.941 176.094 0.083 0.000 1.073 444 V CA -0.833 61.544 62.300 0.129 0.000 0.956 444 V CB 1.733 33.634 31.823 0.129 0.000 1.023 444 V HN 0.833 nan 8.190 nan 0.000 0.435 445 A N 2.178 125.050 122.820 0.087 0.000 2.515 445 A HA 0.715 5.035 4.320 -0.001 0.000 0.298 445 A C -0.063 177.587 177.584 0.110 0.000 1.059 445 A CA -0.653 51.423 52.037 0.065 0.000 0.698 445 A CB 1.119 20.136 19.000 0.027 0.000 1.289 445 A HN 0.870 nan 8.150 nan 0.000 0.404 446 N N -0.739 118.011 118.700 0.085 0.000 2.686 446 N HA -0.172 4.568 4.740 -0.001 0.000 0.261 446 N C -0.133 175.478 175.510 0.169 0.000 1.001 446 N CA 1.356 54.465 53.050 0.099 0.000 0.764 446 N CB -0.781 37.759 38.487 0.088 0.000 0.898 446 N HN 1.397 nan 8.380 nan 0.000 0.544 447 A N 0.204 123.087 122.820 0.104 0.000 2.423 447 A HA 0.738 5.058 4.320 -0.001 0.000 0.304 447 A C -0.181 177.331 177.584 -0.119 0.000 1.104 447 A CA -0.675 51.366 52.037 0.006 0.000 0.757 447 A CB 2.125 21.140 19.000 0.026 0.000 1.313 447 A HN 0.294 nan 8.150 nan 0.000 0.423 448 E N 1.158 121.221 120.200 -0.228 0.000 2.272 448 E HA 0.452 4.802 4.350 -0.001 0.000 0.269 448 E C -0.824 175.603 176.600 -0.287 0.000 0.877 448 E CA -0.731 55.548 56.400 -0.202 0.000 0.755 448 E CB 1.300 30.913 29.700 -0.146 0.000 1.192 448 E HN 0.655 nan 8.360 nan 0.000 0.422 449 R N 1.486 121.835 120.500 -0.253 0.000 2.543 449 R HA 0.318 4.657 4.340 -0.001 0.000 0.277 449 R C 0.049 176.209 176.300 -0.234 0.000 1.074 449 R CA -0.177 55.745 56.100 -0.296 0.000 1.076 449 R CB 0.933 31.073 30.300 -0.267 0.000 0.993 449 R HN 0.433 nan 8.270 nan 0.000 0.459 450 V N -0.361 119.405 119.914 -0.247 0.000 3.130 450 V HA 0.526 4.645 4.120 -0.001 0.000 0.310 450 V C -2.704 173.342 176.094 -0.080 0.000 1.158 450 V CA -3.165 59.053 62.300 -0.137 0.000 1.029 450 V CB 2.015 33.762 31.823 -0.126 0.000 1.057 450 V HN 0.535 nan 8.190 nan 0.000 0.436 451 P HA 0.244 nan 4.420 nan 0.000 0.261 451 P C -0.015 177.395 177.300 0.183 0.000 1.183 451 P CA 0.731 63.951 63.100 0.200 0.000 0.761 451 P CB -0.055 31.712 31.700 0.111 0.000 0.785 452 N N 0.972 119.885 118.700 0.355 0.000 2.753 452 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 452 N C 0.563 176.164 175.510 0.152 0.000 1.097 452 N CA 1.780 54.960 53.050 0.216 0.000 0.786 452 N CB -1.458 37.140 38.487 0.185 0.000 1.137 452 N HN 0.718 nan 8.380 nan 0.000 0.566 453 G N -1.278 107.508 108.800 -0.023 0.000 2.392 453 G HA2 0.546 4.505 3.960 -0.001 0.000 0.260 453 G HA3 0.546 4.505 3.960 -0.001 0.000 0.260 453 G C -1.863 172.697 174.900 -0.567 0.000 1.226 453 G CA -0.637 44.384 45.100 -0.132 0.000 0.913 453 G HN 0.102 nan 8.290 nan 0.000 0.483 454 L N 0.170 120.949 121.223 -0.740 0.000 2.409 454 L HA 0.645 4.985 4.340 -0.001 0.000 0.262 454 L C -0.438 175.860 176.870 -0.952 0.000 0.992 454 L CA -0.854 53.432 54.840 -0.922 0.000 0.817 454 L CB 2.682 43.972 42.059 -1.281 0.000 1.350 454 L HN 0.611 nan 8.230 nan 0.000 0.411 455 K N 2.019 121.956 120.400 -0.771 0.000 2.235 455 K HA 0.590 4.909 4.320 -0.001 0.000 0.266 455 K C -1.524 174.698 176.600 -0.630 0.000 0.980 455 K CA -0.388 55.551 56.287 -0.580 0.000 0.849 455 K CB 0.995 33.332 32.500 -0.273 0.000 1.098 455 K HN 0.334 nan 8.250 nan 0.000 0.445 456 F N 2.883 122.815 119.950 -0.030 0.000 2.404 456 F HA 0.358 4.884 4.527 -0.001 0.000 0.339 456 F C 0.618 176.424 175.800 0.011 0.000 1.105 456 F CA -0.776 57.219 58.000 -0.009 0.000 1.087 456 F CB 1.340 40.354 39.000 0.024 0.000 1.143 456 F HN 0.488 nan 8.300 nan 0.000 0.491 457 N N 2.131 120.948 118.700 0.196 0.000 2.616 457 N HA 0.511 5.250 4.740 -0.001 0.000 0.281 457 N C -0.868 174.701 175.510 0.099 0.000 1.145 457 N CA -0.005 53.118 53.050 0.121 0.000 0.919 457 N CB 1.691 40.219 38.487 0.067 0.000 1.509 457 N HN 0.941 nan 8.380 nan 0.000 0.537 458 G N 0.525 109.379 108.800 0.089 0.000 2.339 458 G HA2 0.019 3.978 3.960 -0.001 0.000 0.381 458 G HA3 0.019 3.978 3.960 -0.001 0.000 0.381 458 G C -1.432 173.499 174.900 0.053 0.000 1.400 458 G CA -0.702 44.435 45.100 0.062 0.000 1.002 458 G HN 0.331 nan 8.290 nan 0.000 0.633 459 V N 1.472 121.407 119.914 0.034 0.000 2.540 459 V HA 0.396 4.515 4.120 -0.001 0.000 0.297 459 V C 1.889 177.990 176.094 0.012 0.000 1.024 459 V CA 2.172 64.484 62.300 0.020 0.000 1.105 459 V CB 0.605 32.435 31.823 0.011 0.000 0.938 459 V HN 2.716 nan 8.190 nan 0.000 0.482 460 G N 3.979 112.778 108.800 -0.001 0.000 2.168 460 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.257 460 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.257 460 G C 0.583 175.461 174.900 -0.037 0.000 0.997 460 G CA -0.032 45.055 45.100 -0.022 0.000 0.708 460 G HN 1.444 nan 8.290 nan 0.000 0.520 461 G N -0.302 108.495 108.800 -0.006 0.000 2.313 461 G HA2 0.674 4.633 3.960 -0.001 0.000 0.250 461 G HA3 0.674 4.633 3.960 -0.001 0.000 0.250 461 G C 0.719 175.405 174.900 -0.356 0.000 1.281 461 G CA 1.168 46.277 45.100 0.014 0.000 0.917 461 G HN 1.765 nan 8.290 nan 0.000 0.501 462 G N -0.092 108.285 108.800 -0.705 0.000 2.356 462 G HA2 0.645 4.605 3.960 -0.001 0.000 0.288 462 G HA3 0.645 4.605 3.960 -0.001 0.000 0.288 462 G C -1.100 173.489 174.900 -0.520 0.000 1.302 462 G CA 0.023 44.270 45.100 -1.422 0.000 0.887 462 G HN 1.827 nan 8.290 nan 0.000 0.521 463 A N -1.209 121.489 122.820 -0.202 0.000 2.475 463 A HA 0.836 5.155 4.320 -0.001 0.000 0.301 463 A C -1.016 176.691 177.584 0.205 0.000 1.059 463 A CA -0.530 51.593 52.037 0.144 0.000 0.710 463 A CB 2.126 21.399 19.000 0.456 0.000 1.288 463 A HN 1.711 nan 8.150 nan 0.000 0.408 464 V N 1.832 121.871 119.914 0.208 0.000 2.357 464 V HA 0.348 4.468 4.120 -0.001 0.000 0.284 464 V C -1.149 175.155 176.094 0.350 0.000 1.018 464 V CA -0.362 62.098 62.300 0.266 0.000 0.841 464 V CB 1.288 33.146 31.823 0.059 0.000 0.991 464 V HN 0.830 nan 8.190 nan 0.000 0.437 465 W N 9.532 130.982 121.300 0.250 0.000 2.298 465 W HA 0.461 5.120 4.660 -0.001 0.000 0.327 465 W C -2.385 174.271 176.519 0.227 0.000 0.988 465 W CA -3.206 54.285 57.345 0.244 0.000 1.448 465 W CB 1.146 30.793 29.460 0.313 0.000 1.243 465 W HN 0.356 nan 8.180 nan 0.000 0.388 466 P HA -0.027 nan 4.420 nan 0.000 0.265 466 P C 0.023 177.292 177.300 -0.052 0.000 1.193 466 P CA 0.574 63.737 63.100 0.104 0.000 0.765 466 P CB 2.228 33.954 31.700 0.044 0.000 0.823 467 V N 4.114 123.956 119.914 -0.121 0.000 4.566 467 V HA 0.138 4.258 4.120 -0.001 0.000 0.178 467 V C 2.459 178.435 176.094 -0.197 0.000 1.015 467 V CA 1.253 63.412 62.300 -0.234 0.000 1.443 467 V CB -1.297 30.261 31.823 -0.440 0.000 2.066 467 V HN 0.489 nan 8.190 nan 0.000 0.437 468 A N -0.024 122.687 122.820 -0.182 0.000 2.024 468 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 468 A C 2.049 179.570 177.584 -0.104 0.000 1.164 468 A CA 1.647 53.599 52.037 -0.141 0.000 0.643 468 A CB -0.631 18.297 19.000 -0.120 0.000 0.806 468 A HN 0.528 nan 8.150 nan 0.000 0.451 469 R N -0.386 120.065 120.500 -0.081 0.000 2.357 469 R HA -0.060 4.279 4.340 -0.001 0.000 0.202 469 R C 1.727 177.990 176.300 -0.063 0.000 1.047 469 R CA 0.765 56.829 56.100 -0.060 0.000 1.034 469 R CB -0.180 30.092 30.300 -0.046 0.000 0.875 469 R HN 0.691 nan 8.270 nan 0.000 0.473 470 Q N -0.364 119.379 119.800 -0.094 0.000 2.369 470 Q HA 0.003 4.342 4.340 -0.001 0.000 0.206 470 Q C 1.086 177.043 176.000 -0.072 0.000 0.963 470 Q CA 0.677 56.423 55.803 -0.096 0.000 0.894 470 Q CB 0.326 28.967 28.738 -0.161 0.000 0.965 470 Q HN 0.512 nan 8.270 nan 0.000 0.475 471 G N 0.845 109.600 108.800 -0.074 0.000 2.742 471 G HA2 -0.443 3.516 3.960 -0.001 0.000 0.255 471 G HA3 -0.443 3.516 3.960 -0.001 0.000 0.255 471 G C 0.456 175.319 174.900 -0.063 0.000 1.322 471 G CA 0.318 45.384 45.100 -0.056 0.000 0.967 471 G HN 0.347 nan 8.290 nan 0.000 0.556 472 Q N 0.093 119.868 119.800 -0.043 0.000 2.016 472 Q HA 0.125 4.465 4.340 -0.001 0.000 0.200 472 Q C 0.986 176.939 176.000 -0.078 0.000 0.978 472 Q CA 1.956 57.735 55.803 -0.040 0.000 0.833 472 Q CB -0.126 28.611 28.738 -0.002 0.000 0.895 472 Q HN 0.573 nan 8.270 nan 0.000 0.427 473 T N 2.019 116.526 114.554 -0.078 0.000 2.738 473 T HA 0.371 4.720 4.350 -0.001 0.000 0.298 473 T C -0.834 173.716 174.700 -0.249 0.000 0.962 473 T CA -0.396 61.587 62.100 -0.195 0.000 0.972 473 T CB 0.772 69.582 68.868 -0.097 0.000 0.928 473 T HN 0.174 nan 8.240 nan 0.000 0.474 474 R N 3.110 123.416 120.500 -0.324 0.000 2.522 474 R HA 0.263 4.603 4.340 -0.001 0.000 0.290 474 R C 1.178 177.274 176.300 -0.339 0.000 1.216 474 R CA -0.420 55.506 56.100 -0.290 0.000 1.250 474 R CB 0.668 30.825 30.300 -0.238 0.000 1.143 474 R HN 0.529 nan 8.270 nan 0.000 0.553 475 R N 0.604 120.908 120.500 -0.327 0.000 2.235 475 R HA -0.075 4.265 4.340 -0.001 0.000 0.213 475 R C 0.586 176.924 176.300 0.064 0.000 1.059 475 R CA 1.108 57.063 56.100 -0.242 0.000 0.997 475 R CB 0.259 30.430 30.300 -0.214 0.000 0.884 475 R HN 0.595 nan 8.270 nan 0.000 0.462 476 Y N -0.414 119.710 120.300 -0.293 0.000 2.658 476 Y HA 0.037 4.587 4.550 -0.001 0.000 0.276 476 Y C 1.760 177.192 175.900 -0.780 0.000 1.167 476 Y CA -0.737 57.005 58.100 -0.598 0.000 1.230 476 Y CB 0.624 38.736 38.460 -0.580 0.000 1.144 476 Y HN 0.022 nan 8.280 nan 0.000 0.529 477 Q N 1.505 121.130 119.800 -0.292 0.000 2.234 477 Q HA -0.225 4.115 4.340 -0.001 0.000 0.206 477 Q C 1.701 177.565 176.000 -0.227 0.000 0.980 477 Q CA 2.152 57.800 55.803 -0.259 0.000 0.869 477 Q CB -0.719 27.909 28.738 -0.184 0.000 0.912 477 Q HN 0.659 nan 8.270 nan 0.000 0.436 478 F N -1.174 118.750 119.950 -0.043 0.000 2.236 478 F HA -0.033 4.493 4.527 -0.001 0.000 0.302 478 F C 1.891 177.751 175.800 0.101 0.000 1.073 478 F CA 0.876 58.889 58.000 0.021 0.000 1.336 478 F CB -1.052 37.948 39.000 -0.001 0.000 1.040 478 F HN 0.098 nan 8.300 nan 0.000 0.507 479 A N 1.240 123.666 122.820 -0.658 0.000 2.024 479 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 479 A C 1.987 179.637 177.584 0.111 0.000 1.164 479 A CA 1.688 53.604 52.037 -0.202 0.000 0.643 479 A CB -0.939 17.716 19.000 -0.575 0.000 0.806 479 A HN 0.561 nan 8.150 nan 0.000 0.451 480 N N -1.937 116.755 118.700 -0.013 0.000 2.453 480 N HA -0.120 4.619 4.740 -0.001 0.000 0.183 480 N C 1.273 176.889 175.510 0.176 0.000 1.041 480 N CA 1.320 54.400 53.050 0.049 0.000 0.900 480 N CB -0.228 38.235 38.487 -0.041 0.000 0.961 480 N HN 0.736 nan 8.380 nan 0.000 0.443 481 Y N 1.308 121.653 120.300 0.076 0.000 2.464 481 Y HA 0.155 4.705 4.550 -0.001 0.000 0.288 481 Y C 0.478 176.439 175.900 0.101 0.000 1.133 481 Y CA 0.359 58.506 58.100 0.077 0.000 1.223 481 Y CB 0.525 39.030 38.460 0.076 0.000 1.187 481 Y HN -0.078 nan 8.280 nan 0.000 0.539 482 R N -0.488 120.105 120.500 0.154 0.000 2.687 482 R HA 0.460 4.799 4.340 -0.001 0.000 0.265 482 R C -1.945 174.542 176.300 0.313 0.000 1.048 482 R CA -0.553 55.558 56.100 0.018 0.000 0.884 482 R CB 1.058 31.249 30.300 -0.181 0.000 1.258 482 R HN 0.161 nan 8.270 nan 0.000 0.469 483 F N -1.918 118.085 119.950 0.087 0.000 2.770 483 F HA 0.653 5.179 4.527 -0.001 0.000 0.313 483 F C -1.962 173.865 175.800 0.044 0.000 1.154 483 F CA -0.796 57.283 58.000 0.133 0.000 0.923 483 F CB 1.827 40.945 39.000 0.197 0.000 1.301 483 F HN 0.490 nan 8.300 nan 0.000 0.449 484 T N 2.997 117.718 114.554 0.279 0.000 2.879 484 T HA 0.644 4.994 4.350 -0.001 0.000 0.290 484 T C -1.787 173.072 174.700 0.266 0.000 0.993 484 T CA -0.400 61.792 62.100 0.153 0.000 0.975 484 T CB 1.568 70.443 68.868 0.012 0.000 0.981 484 T HN 0.797 nan 8.240 nan 0.000 0.439 485 L N 4.738 126.084 121.223 0.205 0.000 2.341 485 L HA 0.837 5.176 4.340 -0.001 0.000 0.278 485 L C -1.175 175.707 176.870 0.020 0.000 1.005 485 L CA -0.489 54.363 54.840 0.020 0.000 0.818 485 L CB 1.465 43.438 42.059 -0.144 0.000 1.259 485 L HN 0.480 nan 8.230 nan 0.000 0.418 486 V N 3.815 123.743 119.914 0.023 0.000 2.823 486 V HA 1.025 5.144 4.120 -0.001 0.000 0.312 486 V C -0.337 175.751 176.094 -0.011 0.000 1.072 486 V CA -0.165 62.119 62.300 -0.027 0.000 0.937 486 V CB 1.484 33.337 31.823 0.049 0.000 1.013 486 V HN 1.038 nan 8.190 nan 0.000 0.430 487 A N 1.939 124.715 122.820 -0.074 0.000 2.608 487 A HA 0.789 5.108 4.320 -0.001 0.000 0.292 487 A C -0.714 176.896 177.584 0.044 0.000 1.066 487 A CA -0.547 51.511 52.037 0.035 0.000 0.676 487 A CB 1.846 20.882 19.000 0.061 0.000 1.277 487 A HN 0.625 nan 8.150 nan 0.000 0.413 488 T N 1.302 115.947 114.554 0.152 0.000 2.794 488 T HA 0.634 4.983 4.350 -0.001 0.000 0.280 488 T C -0.127 174.674 174.700 0.168 0.000 0.987 488 T CA 0.011 62.225 62.100 0.191 0.000 0.993 488 T CB 0.909 69.904 68.868 0.213 0.000 0.939 488 T HN 1.774 nan 8.240 nan 0.000 0.449 489 V N 0.996 121.015 119.914 0.175 0.000 3.040 489 V HA 1.012 5.131 4.120 -0.001 0.000 0.312 489 V C -0.481 175.711 176.094 0.163 0.000 1.115 489 V CA -1.014 61.380 62.300 0.157 0.000 0.998 489 V CB 2.075 33.982 31.823 0.140 0.000 1.042 489 V HN 0.945 nan 8.190 nan 0.000 0.433 490 T N 1.043 115.654 114.554 0.094 0.000 2.916 490 T HA 0.723 5.073 4.350 -0.001 0.000 0.298 490 T C -0.859 173.807 174.700 -0.056 0.000 1.031 490 T CA -0.609 61.534 62.100 0.071 0.000 0.993 490 T CB 1.627 70.538 68.868 0.072 0.000 1.045 490 T HN 0.751 nan 8.240 nan 0.000 0.454 491 I N 3.378 123.843 120.570 -0.175 0.000 2.325 491 I HA 0.287 4.456 4.170 -0.001 0.000 0.291 491 I C 0.354 176.363 176.117 -0.180 0.000 1.019 491 I CA -0.491 60.569 61.300 -0.400 0.000 1.302 491 I CB 1.069 38.551 38.000 -0.863 0.000 1.401 491 I HN 0.782 nan 8.210 nan 0.000 0.485 492 D N 4.565 124.913 120.400 -0.086 0.000 2.277 492 D HA 0.066 4.705 4.640 -0.001 0.000 0.209 492 D C 0.197 176.517 176.300 0.034 0.000 0.970 492 D CA 0.895 54.912 54.000 0.028 0.000 0.874 492 D CB 0.808 41.659 40.800 0.085 0.000 0.982 492 D HN 0.595 nan 8.370 nan 0.000 0.504 493 E N 0.115 120.346 120.200 0.051 0.000 2.343 493 E HA 0.363 4.712 4.350 -0.001 0.000 0.278 493 E C -0.662 176.038 176.600 0.167 0.000 0.910 493 E CA -0.609 55.852 56.400 0.102 0.000 0.757 493 E CB 2.618 32.389 29.700 0.118 0.000 1.218 493 E HN -0.105 nan 8.360 nan 0.000 0.435 494 L N 3.564 124.896 121.223 0.181 0.000 2.485 494 L HA 0.210 4.550 4.340 -0.001 0.000 0.275 494 L C -1.685 175.323 176.870 0.229 0.000 1.207 494 L CA -1.262 53.731 54.840 0.255 0.000 0.855 494 L CB -0.311 41.840 42.059 0.153 0.000 1.114 494 L HN 0.315 nan 8.230 nan 0.000 0.485 495 P HA 0.119 nan 4.420 nan 0.000 0.278 495 P C -0.145 177.197 177.300 0.071 0.000 1.258 495 P CA -0.691 62.490 63.100 0.134 0.000 0.811 495 P CB 1.344 33.043 31.700 -0.001 0.000 1.063 496 K N 0.352 120.771 120.400 0.033 0.000 2.062 496 K HA -0.028 4.292 4.320 -0.001 0.000 0.205 496 K C 1.413 178.014 176.600 0.003 0.000 1.051 496 K CA 1.932 58.231 56.287 0.019 0.000 0.941 496 K CB -0.503 32.004 32.500 0.011 0.000 0.719 496 K HN 0.673 nan 8.250 nan 0.000 0.440 497 G N -1.121 107.669 108.800 -0.018 0.000 2.581 497 G HA2 0.180 4.139 3.960 -0.001 0.000 0.194 497 G HA3 0.180 4.139 3.960 -0.001 0.000 0.194 497 G C -0.596 174.269 174.900 -0.058 0.000 1.814 497 G CA -0.224 44.859 45.100 -0.028 0.000 0.745 497 G HN 0.207 nan 8.290 nan 0.000 0.802 498 T N 0.307 114.807 114.554 -0.090 0.000 2.887 498 T HA 0.696 5.046 4.350 -0.001 0.000 0.288 498 T C -1.017 173.542 174.700 -0.235 0.000 1.021 498 T CA -0.216 61.792 62.100 -0.153 0.000 1.000 498 T CB 1.796 70.611 68.868 -0.088 0.000 1.034 498 T HN 0.405 nan 8.240 nan 0.000 0.467 499 S N 1.642 117.076 115.700 -0.443 0.000 2.556 499 S HA 0.689 5.158 4.470 -0.001 0.000 0.271 499 S C -2.911 171.499 174.600 -0.317 0.000 1.135 499 S CA -1.489 56.475 58.200 -0.393 0.000 0.858 499 S CB 1.516 64.455 63.200 -0.435 0.000 1.114 499 S HN 0.336 nan 8.310 nan 0.000 0.468 500 P HA 0.339 nan 4.420 nan 0.000 0.275 500 P C -0.108 177.398 177.300 0.342 0.000 1.228 500 P CA -0.428 62.752 63.100 0.134 0.000 0.786 500 P CB 0.857 32.573 31.700 0.026 0.000 0.927 501 L N 2.796 124.272 121.223 0.421 0.000 2.678 501 L HA 0.564 4.904 4.340 -0.001 0.000 0.211 501 L C -0.663 176.360 176.870 0.255 0.000 1.043 501 L CA 0.818 55.883 54.840 0.373 0.000 0.881 501 L CB 0.044 42.320 42.059 0.361 0.000 1.361 501 L HN 0.261 nan 8.230 nan 0.000 0.484 502 L N -0.247 121.063 121.223 0.145 0.000 2.592 502 L HA 0.760 5.099 4.340 -0.001 0.000 0.258 502 L C -0.740 175.818 176.870 -0.519 0.000 0.926 502 L CA 0.614 55.343 54.840 -0.184 0.000 0.885 502 L CB 1.681 43.699 42.059 -0.067 0.000 1.380 502 L HN 0.306 nan 8.230 nan 0.000 0.415 503 G N 2.276 110.419 108.800 -1.094 0.000 2.321 503 G HA2 0.681 4.640 3.960 -0.001 0.000 0.296 503 G HA3 0.681 4.640 3.960 -0.001 0.000 0.296 503 G C -2.106 172.469 174.900 -0.542 0.000 1.287 503 G CA -0.126 44.509 45.100 -0.775 0.000 0.846 503 G HN 1.021 nan 8.290 nan 0.000 0.508 504 A N -0.468 122.305 122.820 -0.078 0.000 2.311 504 A HA 0.843 5.163 4.320 -0.001 0.000 0.306 504 A C 0.473 178.035 177.584 -0.037 0.000 1.189 504 A CA 0.294 52.263 52.037 -0.115 0.000 0.791 504 A CB 0.901 19.829 19.000 -0.120 0.000 1.172 504 A HN 1.945 nan 8.150 nan 0.000 0.481 505 G N 1.083 109.774 108.800 -0.182 0.000 2.448 505 G HA2 0.544 4.504 3.960 -0.001 0.000 0.285 505 G HA3 0.544 4.504 3.960 -0.001 0.000 0.285 505 G C -0.427 174.386 174.900 -0.145 0.000 1.176 505 G CA -0.513 44.497 45.100 -0.150 0.000 0.852 505 G HN 0.694 nan 8.290 nan 0.000 0.530 506 L N 0.913 122.098 121.223 -0.063 0.000 2.325 506 L HA 0.364 4.704 4.340 -0.001 0.000 0.278 506 L C 0.264 177.117 176.870 -0.029 0.000 1.023 506 L CA -1.000 53.808 54.840 -0.054 0.000 0.811 506 L CB 1.797 43.836 42.059 -0.032 0.000 1.249 506 L HN 0.391 nan 8.230 nan 0.000 0.431 507 E N 1.689 121.867 120.200 -0.037 0.000 2.398 507 E HA 0.449 4.798 4.350 -0.001 0.000 0.263 507 E C 0.270 176.857 176.600 -0.022 0.000 1.046 507 E CA 0.489 56.874 56.400 -0.025 0.000 0.908 507 E CB 1.217 30.892 29.700 -0.041 0.000 0.963 507 E HN 0.787 nan 8.360 nan 0.000 0.431 508 G N 2.772 111.562 108.800 -0.016 0.000 2.440 508 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.684 508 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.684 508 G C -2.560 172.332 174.900 -0.013 0.000 1.309 508 G CA -0.765 44.325 45.100 -0.016 0.000 0.931 508 G HN 0.473 nan 8.290 nan 0.000 0.612 509 P HA 0.512 nan 4.420 nan 0.000 0.271 509 P C 1.066 178.358 177.300 -0.013 0.000 1.233 509 P CA 1.625 64.717 63.100 -0.013 0.000 0.789 509 P CB 0.648 32.340 31.700 -0.012 0.000 0.951 510 G N 0.855 109.646 108.800 -0.015 0.000 2.642 510 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.231 510 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.231 510 G C -0.718 174.169 174.900 -0.021 0.000 1.338 510 G CA 0.221 45.311 45.100 -0.017 0.000 0.883 510 G HN 0.803 nan 8.290 nan 0.000 0.570 511 D N 0.353 120.738 120.400 -0.025 0.000 2.945 511 D HA 0.515 5.155 4.640 -0.001 0.000 0.340 511 D C 0.735 177.013 176.300 -0.036 0.000 1.240 511 D CA 0.523 54.502 54.000 -0.035 0.000 0.749 511 D CB -0.011 40.758 40.800 -0.053 0.000 1.217 511 D HN 0.988 nan 8.370 nan 0.000 0.514 512 A N 1.950 124.758 122.820 -0.021 0.000 2.445 512 A HA 0.420 4.740 4.320 -0.001 0.000 0.242 512 A C 0.183 177.763 177.584 -0.006 0.000 1.075 512 A CA 0.043 52.073 52.037 -0.011 0.000 0.777 512 A CB 0.642 19.638 19.000 -0.006 0.000 1.013 512 A HN 0.212 nan 8.150 nan 0.000 0.493 513 K N 1.407 121.816 120.400 0.014 0.000 2.259 513 K HA 0.386 4.705 4.320 -0.001 0.000 0.249 513 K C 0.398 177.031 176.600 0.055 0.000 0.942 513 K CA -0.812 55.505 56.287 0.050 0.000 0.816 513 K CB 1.663 34.221 32.500 0.096 0.000 1.155 513 K HN 0.497 nan 8.250 nan 0.000 0.428 514 L N 1.374 122.638 121.223 0.069 0.000 2.102 514 L HA 0.244 4.583 4.340 -0.001 0.000 0.202 514 L C -0.113 176.827 176.870 0.117 0.000 1.076 514 L CA 1.362 56.255 54.840 0.088 0.000 0.761 514 L CB 0.115 42.239 42.059 0.109 0.000 0.921 514 L HN 0.557 nan 8.230 nan 0.000 0.444 515 L N -0.825 120.486 121.223 0.145 0.000 2.545 515 L HA 0.754 5.093 4.340 -0.001 0.000 0.258 515 L C -0.665 176.263 176.870 0.097 0.000 0.942 515 L CA 0.516 55.428 54.840 0.119 0.000 0.855 515 L CB 1.637 43.804 42.059 0.180 0.000 1.374 515 L HN 0.221 nan 8.230 nan 0.000 0.411 516 G N 2.445 111.250 108.800 0.008 0.000 2.430 516 G HA2 0.555 4.514 3.960 -0.001 0.000 0.300 516 G HA3 0.555 4.514 3.960 -0.001 0.000 0.300 516 G C -2.749 172.131 174.900 -0.033 0.000 1.330 516 G CA -0.437 44.677 45.100 0.024 0.000 0.813 516 G HN 0.896 nan 8.290 nan 0.000 0.487 517 L N 0.153 121.398 121.223 0.036 0.000 2.436 517 L HA 0.873 5.212 4.340 -0.001 0.000 0.268 517 L C -0.266 176.713 176.870 0.181 0.000 0.974 517 L CA -0.268 54.595 54.840 0.039 0.000 0.826 517 L CB 1.990 44.018 42.059 -0.052 0.000 1.291 517 L HN 0.680 nan 8.230 nan 0.000 0.406 518 S N 2.250 118.071 115.700 0.201 0.000 2.751 518 S HA 0.852 5.321 4.470 -0.001 0.000 0.310 518 S C -1.585 173.225 174.600 0.349 0.000 1.128 518 S CA -0.315 58.013 58.200 0.214 0.000 0.931 518 S CB 1.715 64.950 63.200 0.058 0.000 1.177 518 S HN 0.605 nan 8.310 nan 0.000 0.530 519 Y N -0.420 119.985 120.300 0.175 0.000 2.588 519 Y HA 0.801 5.350 4.550 -0.000 0.000 0.343 519 Y C -1.146 174.874 175.900 0.200 0.000 1.065 519 Y CA -1.262 56.946 58.100 0.180 0.000 1.038 519 Y CB 0.780 39.148 38.460 -0.154 0.000 1.297 519 Y HN 0.673 nan 8.280 nan 0.000 0.467 520 D N -0.210 120.367 120.400 0.296 0.000 2.585 520 D HA 0.245 4.884 4.640 -0.001 0.000 0.254 520 D C 0.252 176.657 176.300 0.175 0.000 1.067 520 D CA -1.015 53.059 54.000 0.124 0.000 1.090 520 D CB 1.462 42.291 40.800 0.049 0.000 1.408 520 D HN 0.726 nan 8.370 nan 0.000 0.554 521 K N -0.631 119.805 120.400 0.060 0.000 2.442 521 K HA -0.033 4.287 4.320 -0.001 0.000 0.198 521 K C 0.259 176.822 176.600 -0.060 0.000 1.042 521 K CA 0.684 56.989 56.287 0.030 0.000 0.958 521 K CB -0.349 32.157 32.500 0.011 0.000 0.766 521 K HN 0.161 nan 8.250 nan 0.000 0.474 522 N N 1.427 120.073 118.700 -0.091 0.000 2.322 522 N HA 0.053 4.793 4.740 -0.001 0.000 0.194 522 N C -0.558 174.744 175.510 -0.346 0.000 1.126 522 N CA 0.105 53.055 53.050 -0.166 0.000 0.845 522 N CB 0.224 38.645 38.487 -0.110 0.000 0.976 522 N HN 0.218 nan 8.380 nan 0.000 0.475 523 R N 0.190 120.377 120.500 -0.522 0.000 3.531 523 R HA -0.166 4.173 4.340 -0.001 0.000 0.280 523 R C -0.554 175.017 176.300 -1.215 0.000 1.130 523 R CA 0.621 55.897 56.100 -1.374 0.000 0.757 523 R CB -1.807 27.691 30.300 -1.336 0.000 1.218 523 R HN 0.429 nan 8.270 nan 0.000 0.454 524 Q N -0.694 118.856 119.800 -0.416 0.000 2.297 524 Q HA 0.362 4.702 4.340 -0.001 0.000 0.268 524 Q C -0.307 175.800 176.000 0.177 0.000 1.045 524 Q CA -0.718 54.990 55.803 -0.159 0.000 0.861 524 Q CB 1.189 29.905 28.738 -0.037 0.000 1.344 524 Q HN 0.142 nan 8.270 nan 0.000 0.452 525 W N 0.585 122.075 121.300 0.316 0.000 2.303 525 W HA 0.416 5.075 4.660 -0.002 0.000 0.334 525 W C 0.270 176.867 176.519 0.130 0.000 1.197 525 W CA -0.503 56.985 57.345 0.239 0.000 1.262 525 W CB 0.870 30.409 29.460 0.133 0.000 1.153 525 W HN 0.257 nan 8.180 nan 0.000 0.596 526 R N 2.929 123.658 120.500 0.382 0.000 2.513 526 R HA 0.232 4.571 4.340 -0.001 0.000 0.283 526 R C -2.539 173.806 176.300 0.073 0.000 1.535 526 R CA -1.675 54.533 56.100 0.179 0.000 1.315 526 R CB 0.838 31.209 30.300 0.117 0.000 1.163 526 R HN 0.081 nan 8.270 nan 0.000 0.573 527 P HA 0.075 nan 4.420 nan 0.000 0.275 527 P C -0.637 176.379 177.300 -0.473 0.000 1.227 527 P CA -0.014 62.892 63.100 -0.323 0.000 0.781 527 P CB 1.178 32.603 31.700 -0.460 0.000 0.906 528 L N 3.963 124.894 121.223 -0.486 0.000 2.298 528 L HA 0.372 4.711 4.340 -0.001 0.000 0.284 528 L C -0.326 176.315 176.870 -0.381 0.000 1.013 528 L CA -0.732 53.923 54.840 -0.309 0.000 0.824 528 L CB 0.701 42.709 42.059 -0.084 0.000 1.221 528 L HN 0.376 nan 8.230 nan 0.000 0.418 529 Y N 2.402 122.717 120.300 0.024 0.000 2.854 529 Y HA 0.495 5.044 4.550 -0.001 0.000 0.330 529 Y C 1.219 177.127 175.900 0.013 0.000 1.037 529 Y CA -0.156 57.950 58.100 0.010 0.000 1.263 529 Y CB 1.158 39.612 38.460 -0.011 0.000 1.120 529 Y HN 0.907 nan 8.280 nan 0.000 0.532 530 G N 1.779 110.655 108.800 0.126 0.000 2.574 530 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.286 530 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.286 530 G C 1.017 175.956 174.900 0.065 0.000 1.212 530 G CA 0.148 45.299 45.100 0.086 0.000 0.979 530 G HN 0.865 nan 8.290 nan 0.000 0.557 531 A N 0.415 123.266 122.820 0.053 0.000 2.238 531 A HA 0.700 5.019 4.320 -0.001 0.000 0.208 531 A C 1.631 179.241 177.584 0.044 0.000 1.177 531 A CA 1.675 53.735 52.037 0.038 0.000 0.804 531 A CB -0.744 18.272 19.000 0.025 0.000 0.823 531 A HN 2.412 nan 8.150 nan 0.000 0.482 532 A N 1.102 123.962 122.820 0.068 0.000 2.483 532 A HA 0.482 4.801 4.320 -0.001 0.000 0.238 532 A C -2.147 175.478 177.584 0.069 0.000 1.070 532 A CA -0.863 51.219 52.037 0.075 0.000 0.770 532 A CB -0.520 18.548 19.000 0.113 0.000 1.008 532 A HN 0.271 nan 8.150 nan 0.000 0.497 533 P HA 0.295 nan 4.420 nan 0.000 0.264 533 P C -0.384 176.954 177.300 0.063 0.000 1.193 533 P CA 0.372 63.499 63.100 0.046 0.000 0.763 533 P CB 0.663 32.384 31.700 0.036 0.000 0.810 534 A N 3.019 125.868 122.820 0.047 0.000 2.362 534 A HA 0.495 4.814 4.320 -0.001 0.000 0.276 534 A C 0.386 178.005 177.584 0.058 0.000 1.153 534 A CA -0.115 51.952 52.037 0.050 0.000 0.813 534 A CB -0.115 18.896 19.000 0.019 0.000 1.081 534 A HN 0.538 nan 8.150 nan 0.000 0.507 535 S N 2.941 118.690 115.700 0.082 0.000 2.482 535 S HA 0.725 5.194 4.470 -0.001 0.000 0.303 535 S C -2.972 171.681 174.600 0.090 0.000 1.091 535 S CA -1.508 56.736 58.200 0.074 0.000 1.057 535 S CB 1.355 64.597 63.200 0.070 0.000 1.031 535 S HN 0.412 nan 8.310 nan 0.000 0.485 536 P HA 0.367 nan 4.420 nan 0.000 0.268 536 P C -0.447 176.916 177.300 0.106 0.000 1.205 536 P CA 0.116 63.273 63.100 0.095 0.000 0.771 536 P CB 0.775 32.510 31.700 0.059 0.000 0.858 537 T N 0.887 115.532 114.554 0.152 0.000 2.889 537 T HA 0.597 4.946 4.350 -0.001 0.000 0.315 537 T C -0.109 174.712 174.700 0.202 0.000 1.291 537 T CA 0.509 62.700 62.100 0.151 0.000 1.028 537 T CB 0.748 69.710 68.868 0.157 0.000 1.235 537 T HN 0.728 nan 8.240 nan 0.000 0.491 538 G N 2.136 111.028 108.800 0.153 0.000 2.598 538 G HA2 0.107 4.067 3.960 -0.001 0.000 0.244 538 G HA3 0.107 4.067 3.960 -0.001 0.000 0.244 538 G C -0.152 174.785 174.900 0.061 0.000 1.302 538 G CA 0.237 45.443 45.100 0.176 0.000 0.903 538 G HN 1.745 nan 8.290 nan 0.000 0.575 539 S N -0.389 115.344 115.700 0.054 0.000 2.535 539 S HA 0.719 5.188 4.470 -0.001 0.000 0.272 539 S C -0.960 173.572 174.600 -0.113 0.000 1.149 539 S CA 0.427 58.538 58.200 -0.148 0.000 0.888 539 S CB 0.830 63.984 63.200 -0.078 0.000 1.110 539 S HN 1.860 nan 8.310 nan 0.000 0.463 540 W N 2.888 123.982 121.300 -0.343 0.000 3.047 540 W HA 0.759 5.418 4.660 -0.002 0.000 0.341 540 W C -1.347 175.103 176.519 -0.114 0.000 1.225 540 W CA -0.887 56.272 57.345 -0.310 0.000 1.150 540 W CB 0.426 29.296 29.460 -0.983 0.000 1.470 540 W HN 0.794 nan 8.180 nan 0.000 0.578 541 E N 1.025 121.540 120.200 0.524 0.000 2.312 541 E HA 0.585 4.934 4.350 -0.001 0.000 0.267 541 E C -0.857 176.057 176.600 0.523 0.000 0.894 541 E CA -1.049 55.548 56.400 0.328 0.000 0.773 541 E CB 2.792 32.618 29.700 0.209 0.000 1.241 541 E HN 0.378 nan 8.360 nan 0.000 0.432 542 L N 1.912 123.304 121.223 0.281 0.000 2.483 542 L HA 0.032 4.371 4.340 -0.001 0.000 0.275 542 L C 0.328 177.169 176.870 -0.048 0.000 1.220 542 L CA 0.538 55.392 54.840 0.024 0.000 0.833 542 L CB -0.450 41.398 42.059 -0.352 0.000 1.102 542 L HN 0.870 nan 8.230 nan 0.000 0.490 543 H N -1.442 117.724 119.070 0.160 0.000 3.631 543 H HA -0.233 4.322 4.556 -0.001 0.000 0.202 543 H C 0.260 175.633 175.328 0.074 0.000 1.029 543 H CA 1.411 57.516 56.048 0.095 0.000 1.208 543 H CB -0.935 28.871 29.762 0.074 0.000 1.124 543 H HN 0.478 nan 8.280 nan 0.000 0.329 544 K N 2.087 122.588 120.400 0.169 0.000 2.143 544 K HA 0.329 4.649 4.320 -0.001 0.000 0.272 544 K C -0.394 176.121 176.600 -0.140 0.000 1.001 544 K CA -0.643 55.646 56.287 0.003 0.000 0.915 544 K CB 0.829 33.304 32.500 -0.042 0.000 1.047 544 K HN 0.100 nan 8.250 nan 0.000 0.458 545 K N 3.028 123.319 120.400 -0.182 0.000 2.276 545 K HA 0.155 4.474 4.320 -0.001 0.000 0.283 545 K C -1.063 175.348 176.600 -0.315 0.000 1.044 545 K CA -0.121 56.095 56.287 -0.119 0.000 0.944 545 K CB 0.590 33.078 32.500 -0.020 0.000 1.012 545 K HN 0.404 nan 8.250 nan 0.000 0.472 546 Y N 0.023 120.449 120.300 0.209 0.000 2.536 546 Y HA 0.200 4.750 4.550 -0.000 0.000 0.347 546 Y C 0.028 176.076 175.900 0.247 0.000 1.000 546 Y CA -0.935 57.318 58.100 0.256 0.000 1.051 546 Y CB 1.677 40.303 38.460 0.276 0.000 1.259 546 Y HN 0.525 nan 8.280 nan 0.000 0.468 547 H N 2.113 121.384 119.070 0.336 0.000 2.488 547 H HA 0.629 5.185 4.556 -0.000 0.000 0.322 547 H C -1.567 173.839 175.328 0.130 0.000 1.078 547 H CA -0.480 55.717 56.048 0.247 0.000 1.260 547 H CB 1.192 31.185 29.762 0.384 0.000 1.425 547 H HN 0.468 nan 8.280 nan 0.000 0.471 548 V N 6.255 126.023 119.914 -0.244 0.000 2.540 548 V HA 0.286 4.405 4.120 -0.001 0.000 0.302 548 V C -0.402 175.522 176.094 -0.283 0.000 1.035 548 V CA -0.728 61.435 62.300 -0.229 0.000 0.873 548 V CB 1.794 33.506 31.823 -0.184 0.000 0.992 548 V HN 0.501 nan 8.190 nan 0.000 0.428 549 V N 5.992 125.828 119.914 -0.131 0.000 2.638 549 V HA 0.535 4.654 4.120 -0.001 0.000 0.306 549 V C -0.596 175.542 176.094 0.073 0.000 1.052 549 V CA -0.520 61.747 62.300 -0.056 0.000 0.885 549 V CB 2.013 33.791 31.823 -0.075 0.000 0.999 549 V HN 0.660 nan 8.190 nan 0.000 0.424 550 L N 4.631 125.886 121.223 0.054 0.000 2.333 550 L HA 0.758 5.097 4.340 -0.001 0.000 0.280 550 L C 0.121 176.990 176.870 -0.002 0.000 1.004 550 L CA -0.358 54.525 54.840 0.073 0.000 0.820 550 L CB 2.082 44.223 42.059 0.137 0.000 1.247 550 L HN 0.793 nan 8.230 nan 0.000 0.416 551 T N 0.838 115.360 114.554 -0.053 0.000 2.863 551 T HA 0.738 5.088 4.350 -0.001 0.000 0.285 551 T C -0.515 173.956 174.700 -0.382 0.000 1.009 551 T CA -0.730 61.241 62.100 -0.216 0.000 0.989 551 T CB 2.466 71.296 68.868 -0.064 0.000 1.004 551 T HN 0.444 nan 8.240 nan 0.000 0.455 552 M N 2.504 121.720 119.600 -0.640 0.000 2.238 552 M HA 0.695 5.174 4.480 -0.001 0.000 0.278 552 M C -1.925 174.134 176.300 -0.401 0.000 1.040 552 M CA -0.410 54.559 55.300 -0.551 0.000 0.969 552 M CB 1.283 33.395 32.600 -0.814 0.000 1.694 552 M HN 1.238 nan 8.290 nan 0.000 0.472 553 A N 3.563 126.221 122.820 -0.270 0.000 2.605 553 A HA 0.659 4.978 4.320 -0.001 0.000 0.294 553 A C -0.598 176.857 177.584 -0.216 0.000 1.062 553 A CA -0.399 51.474 52.037 -0.273 0.000 0.682 553 A CB 0.852 19.706 19.000 -0.243 0.000 1.278 553 A HN 0.845 nan 8.150 nan 0.000 0.410 554 D N 0.528 120.778 120.400 -0.250 0.000 2.751 554 D HA -0.202 4.437 4.640 -0.001 0.000 0.233 554 D C 0.630 176.871 176.300 -0.098 0.000 1.149 554 D CA 1.630 55.541 54.000 -0.148 0.000 0.682 554 D CB -0.827 39.909 40.800 -0.106 0.000 1.068 554 D HN 0.851 nan 8.370 nan 0.000 0.429 555 R N -2.360 118.080 120.500 -0.100 0.000 4.000 555 R HA -0.258 4.081 4.340 -0.001 0.000 0.362 555 R C 0.025 176.292 176.300 -0.056 0.000 1.183 555 R CA 1.436 57.504 56.100 -0.055 0.000 1.011 555 R CB -1.495 28.791 30.300 -0.023 0.000 1.501 555 R HN 0.496 nan 8.270 nan 0.000 0.553 556 Q N -0.163 119.587 119.800 -0.083 0.000 2.274 556 Q HA 0.605 4.944 4.340 -0.001 0.000 0.260 556 Q C 0.314 176.262 176.000 -0.085 0.000 0.974 556 Q CA -0.214 55.542 55.803 -0.078 0.000 0.876 556 Q CB 2.252 30.938 28.738 -0.087 0.000 1.297 556 Q HN 0.234 nan 8.270 nan 0.000 0.446 557 G N 0.698 109.470 108.800 -0.046 0.000 2.513 557 G HA2 0.581 4.541 3.960 -0.001 0.000 0.317 557 G HA3 0.581 4.541 3.960 -0.001 0.000 0.317 557 G C -0.968 173.952 174.900 0.033 0.000 1.277 557 G CA -0.338 44.760 45.100 -0.003 0.000 0.955 557 G HN 0.420 nan 8.290 nan 0.000 0.484 558 S N -0.641 115.073 115.700 0.022 0.000 2.570 558 S HA 0.724 5.193 4.470 -0.001 0.000 0.286 558 S C -0.768 173.835 174.600 0.005 0.000 1.099 558 S CA -0.521 57.666 58.200 -0.021 0.000 0.913 558 S CB 2.196 65.297 63.200 -0.165 0.000 1.085 558 S HN 0.555 nan 8.310 nan 0.000 0.480 559 V N 3.007 122.873 119.914 -0.081 0.000 2.483 559 V HA 0.486 4.605 4.120 -0.001 0.000 0.297 559 V C -1.719 174.212 176.094 -0.273 0.000 1.027 559 V CA -0.608 61.636 62.300 -0.094 0.000 0.855 559 V CB 1.086 32.846 31.823 -0.104 0.000 0.995 559 V HN 0.848 nan 8.190 nan 0.000 0.424 560 Y N 3.051 123.282 120.300 -0.115 0.000 2.409 560 Y HA 0.730 5.280 4.550 -0.001 0.000 0.339 560 Y C -0.003 175.777 175.900 -0.201 0.000 1.033 560 Y CA -1.024 56.997 58.100 -0.131 0.000 1.094 560 Y CB 2.150 40.553 38.460 -0.095 0.000 1.210 560 Y HN 0.339 nan 8.280 nan 0.000 0.456 561 V N 3.009 122.878 119.914 -0.074 0.000 2.483 561 V HA 0.249 4.368 4.120 -0.001 0.000 0.297 561 V C -0.811 175.279 176.094 -0.006 0.000 1.027 561 V CA -1.146 61.068 62.300 -0.144 0.000 0.855 561 V CB 1.476 33.056 31.823 -0.405 0.000 0.995 561 V HN 0.882 nan 8.190 nan 0.000 0.424 562 D N 4.300 124.748 120.400 0.081 0.000 2.708 562 D HA -0.185 4.454 4.640 -0.001 0.000 0.236 562 D C 1.324 177.084 176.300 -0.900 0.000 1.146 562 D CA 1.872 55.733 54.000 -0.232 0.000 0.662 562 D CB -1.127 39.708 40.800 0.058 0.000 1.059 562 D HN 1.423 nan 8.370 nan 0.000 0.428 563 G N -1.343 107.172 108.800 -0.475 0.000 2.184 563 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.264 563 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.264 563 G C 0.095 174.954 174.900 -0.068 0.000 0.975 563 G CA 0.490 45.364 45.100 -0.377 0.000 0.642 563 G HN 0.415 nan 8.290 nan 0.000 0.536 564 Q N 0.483 120.289 119.800 0.010 0.000 2.337 564 Q HA 0.474 4.813 4.340 -0.001 0.000 0.266 564 Q C -2.535 173.487 176.000 0.036 0.000 1.023 564 Q CA -2.030 53.820 55.803 0.078 0.000 0.829 564 Q CB 2.720 31.453 28.738 -0.008 0.000 1.306 564 Q HN 0.313 nan 8.270 nan 0.000 0.449 565 P HA 0.127 nan 4.420 nan 0.000 0.271 565 P C -0.315 176.855 177.300 -0.216 0.000 1.216 565 P CA -0.089 62.724 63.100 -0.478 0.000 0.776 565 P CB 0.943 32.325 31.700 -0.531 0.000 0.881 566 L N 1.945 123.057 121.223 -0.185 0.000 2.418 566 L HA 0.364 4.704 4.340 -0.001 0.000 0.265 566 L C 1.242 178.113 176.870 0.002 0.000 1.143 566 L CA -0.925 53.891 54.840 -0.040 0.000 0.809 566 L CB 0.526 42.583 42.059 -0.003 0.000 1.124 566 L HN 0.435 nan 8.230 nan 0.000 0.456 567 A N 1.556 124.399 122.820 0.038 0.000 2.561 567 A HA 0.360 4.680 4.320 -0.001 0.000 0.234 567 A C 1.199 178.800 177.584 0.028 0.000 1.055 567 A CA 0.766 52.813 52.037 0.016 0.000 0.756 567 A CB -0.265 18.760 19.000 0.043 0.000 0.986 567 A HN 1.155 nan 8.150 nan 0.000 0.505 568 G N 1.256 109.974 108.800 -0.137 0.000 2.195 568 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.246 568 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.246 568 G C 0.586 174.896 174.900 -0.984 0.000 0.984 568 G CA 0.413 45.274 45.100 -0.399 0.000 0.633 568 G HN 1.197 nan 8.290 nan 0.000 0.525 569 S N -0.133 115.210 115.700 -0.595 0.000 2.593 569 S HA 0.497 4.967 4.470 -0.001 0.000 0.269 569 S C 1.544 175.907 174.600 -0.395 0.000 1.334 569 S CA 1.277 59.160 58.200 -0.528 0.000 1.015 569 S CB 1.190 64.212 63.200 -0.297 0.000 0.912 569 S HN 2.095 nan 8.310 nan 0.000 0.541 570 G N 1.735 110.357 108.800 -0.296 0.000 2.157 570 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.239 570 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.239 570 G C -0.065 174.726 174.900 -0.182 0.000 0.982 570 G CA -0.329 44.653 45.100 -0.196 0.000 0.650 570 G HN 0.593 nan 8.290 nan 0.000 0.527 571 N N 0.089 118.648 118.700 -0.234 0.000 2.502 571 N HA 0.482 5.222 4.740 -0.001 0.000 0.280 571 N C 0.063 175.510 175.510 -0.106 0.000 1.223 571 N CA -0.097 52.853 53.050 -0.166 0.000 0.966 571 N CB 0.584 38.956 38.487 -0.192 0.000 1.203 571 N HN 0.057 nan 8.380 nan 0.000 0.565 572 T N 0.752 115.265 114.554 -0.069 0.000 2.853 572 T HA 0.116 4.466 4.350 -0.001 0.000 0.298 572 T C 1.576 176.271 174.700 -0.008 0.000 0.978 572 T CA -0.270 61.808 62.100 -0.037 0.000 1.152 572 T CB 0.236 69.088 68.868 -0.026 0.000 0.914 572 T HN 0.400 nan 8.240 nan 0.000 0.539 573 V N 1.679 121.599 119.914 0.010 0.000 3.643 573 V HA 0.435 4.554 4.120 -0.001 0.000 0.280 573 V C 0.517 176.634 176.094 0.039 0.000 1.351 573 V CA -0.241 62.088 62.300 0.049 0.000 1.073 573 V CB 0.170 32.041 31.823 0.080 0.000 0.863 573 V HN 0.556 nan 8.190 nan 0.000 0.436 574 V N 2.215 122.142 119.914 0.021 0.000 2.524 574 V HA 0.640 4.759 4.120 -0.001 0.000 0.297 574 V C -0.804 175.297 176.094 0.012 0.000 1.035 574 V CA -0.597 61.715 62.300 0.020 0.000 0.867 574 V CB 1.865 33.702 31.823 0.023 0.000 1.004 574 V HN 0.420 nan 8.190 nan 0.000 0.426 575 R N 4.241 124.747 120.500 0.011 0.000 2.486 575 R HA 0.858 5.197 4.340 -0.001 0.000 0.286 575 R C 0.421 176.726 176.300 0.008 0.000 0.999 575 R CA 0.406 56.511 56.100 0.008 0.000 0.993 575 R CB 1.412 31.716 30.300 0.007 0.000 1.084 575 R HN 1.536 nan 8.270 nan 0.000 0.487 576 G N -0.154 108.651 108.800 0.008 0.000 2.462 576 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.685 576 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.685 576 G C -0.184 174.724 174.900 0.013 0.000 1.295 576 G CA -0.232 44.873 45.100 0.009 0.000 0.941 576 G HN 0.572 nan 8.290 nan 0.000 0.554 577 A N -1.113 121.716 122.820 0.014 0.000 2.229 577 A HA 0.603 4.922 4.320 -0.001 0.000 0.211 577 A C 1.311 178.906 177.584 0.019 0.000 1.193 577 A CA 1.880 53.929 52.037 0.020 0.000 0.879 577 A CB 0.128 19.139 19.000 0.020 0.000 0.911 577 A HN 1.408 nan 8.150 nan 0.000 0.492 578 T N 1.852 116.412 114.554 0.009 0.000 2.814 578 T HA 0.403 4.752 4.350 -0.001 0.000 0.297 578 T C 0.207 174.903 174.700 -0.005 0.000 0.956 578 T CA -0.099 61.999 62.100 -0.003 0.000 1.123 578 T CB 0.430 69.291 68.868 -0.012 0.000 0.902 578 T HN 0.261 nan 8.240 nan 0.000 0.528 579 L N 6.127 127.341 121.223 -0.016 0.000 2.543 579 L HA 0.120 4.459 4.340 -0.001 0.000 0.285 579 L C -1.224 175.627 176.870 -0.031 0.000 1.236 579 L CA -1.363 53.469 54.840 -0.013 0.000 0.871 579 L CB 0.121 42.153 42.059 -0.046 0.000 1.121 579 L HN 0.448 nan 8.230 nan 0.000 0.501 580 P HA 0.067 nan 4.420 nan 0.000 0.275 580 P C -1.113 176.147 177.300 -0.068 0.000 1.270 580 P CA -0.253 62.829 63.100 -0.029 0.000 0.791 580 P CB 0.653 32.350 31.700 -0.004 0.000 1.089 581 D N -0.086 120.266 120.400 -0.080 0.000 2.405 581 D HA 0.304 4.943 4.640 -0.001 0.000 0.264 581 D C -0.395 175.829 176.300 -0.127 0.000 1.240 581 D CA -0.385 53.548 54.000 -0.111 0.000 0.893 581 D CB -0.595 40.147 40.800 -0.097 0.000 1.198 581 D HN 0.139 nan 8.370 nan 0.000 0.514 582 I N 2.087 122.548 120.570 -0.182 0.000 2.598 582 I HA -0.009 4.160 4.170 -0.001 0.000 0.284 582 I C 1.825 177.800 176.117 -0.237 0.000 1.140 582 I CA 0.129 61.276 61.300 -0.256 0.000 1.420 582 I CB 1.137 38.874 38.000 -0.439 0.000 1.387 582 I HN 0.350 nan 8.210 nan 0.000 0.553 583 S N 5.436 121.046 115.700 -0.150 0.000 2.395 583 S HA -0.018 4.451 4.470 -0.001 0.000 0.225 583 S C 0.416 175.039 174.600 0.039 0.000 1.027 583 S CA 0.507 58.699 58.200 -0.012 0.000 0.965 583 S CB -0.102 63.192 63.200 0.157 0.000 0.812 583 S HN 0.833 nan 8.310 nan 0.000 0.482 584 H N -1.706 117.218 119.070 -0.244 0.000 2.921 584 H HA 0.422 4.978 4.556 -0.001 0.000 0.287 584 H C -1.979 173.174 175.328 -0.293 0.000 1.434 584 H CA -1.399 54.507 56.048 -0.237 0.000 1.178 584 H CB -0.332 29.425 29.762 -0.009 0.000 1.836 584 H HN 0.177 nan 8.280 nan 0.000 0.495 585 F N 1.577 121.531 119.950 0.008 0.000 2.404 585 F HA 0.390 4.917 4.527 -0.000 0.000 0.339 585 F C -0.041 175.828 175.800 0.115 0.000 1.105 585 F CA -0.893 57.035 58.000 -0.119 0.000 1.087 585 F CB 1.166 40.137 39.000 -0.048 0.000 1.143 585 F HN 0.443 nan 8.300 nan 0.000 0.491 586 Y N 0.787 121.210 120.300 0.206 0.000 2.446 586 Y HA 0.831 5.380 4.550 -0.001 0.000 0.338 586 Y C -1.114 174.901 175.900 0.192 0.000 1.055 586 Y CA -1.807 56.439 58.100 0.243 0.000 1.101 586 Y CB 0.879 39.443 38.460 0.173 0.000 1.221 586 Y HN 0.391 nan 8.280 nan 0.000 0.460 587 I N 3.735 124.460 120.570 0.260 0.000 2.439 587 I HA 0.645 4.814 4.170 -0.001 0.000 0.285 587 I C 0.565 176.732 176.117 0.083 0.000 1.021 587 I CA -0.167 61.255 61.300 0.203 0.000 1.091 587 I CB 1.418 39.599 38.000 0.302 0.000 1.242 587 I HN 1.149 nan 8.210 nan 0.000 0.439 588 G N 4.619 113.512 108.800 0.154 0.000 2.498 588 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.245 588 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.245 588 G C 0.270 175.223 174.900 0.088 0.000 1.204 588 G CA -0.152 44.966 45.100 0.030 0.000 0.933 588 G HN 1.078 nan 8.290 nan 0.000 0.574 589 G N 1.391 110.161 108.800 -0.049 0.000 5.001 589 G HA2 0.727 4.687 3.960 -0.001 0.000 0.304 589 G HA3 0.727 4.687 3.960 -0.001 0.000 0.304 589 G C -1.859 173.001 174.900 -0.066 0.000 1.400 589 G CA 0.128 45.218 45.100 -0.016 0.000 1.029 589 G HN 0.679 nan 8.290 nan 0.000 0.584 590 P HA 0.472 nan 4.420 nan 0.000 0.272 590 P C -0.690 176.586 177.300 -0.040 0.000 1.223 590 P CA -0.093 62.974 63.100 -0.055 0.000 0.784 590 P CB 1.561 33.253 31.700 -0.013 0.000 0.923 591 R N -0.829 119.643 120.500 -0.047 0.000 2.824 591 R HA 0.371 4.710 4.340 -0.001 0.000 0.267 591 R C -0.216 176.058 176.300 -0.043 0.000 1.035 591 R CA -0.648 55.422 56.100 -0.050 0.000 0.887 591 R CB -0.871 29.399 30.300 -0.050 0.000 1.262 591 R HN 0.336 nan 8.270 nan 0.000 0.487 592 S N -0.896 114.777 115.700 -0.046 0.000 2.603 592 S HA 0.339 4.808 4.470 -0.001 0.000 0.232 592 S C 0.037 174.619 174.600 -0.030 0.000 1.016 592 S CA 0.208 58.387 58.200 -0.036 0.000 0.976 592 S CB -0.274 62.902 63.200 -0.040 0.000 0.921 592 S HN 0.834 nan 8.310 nan 0.000 0.516 593 K N -1.219 119.162 120.400 -0.032 0.000 2.680 593 K HA 0.642 4.962 4.320 -0.001 0.000 0.295 593 K C 0.354 176.937 176.600 -0.029 0.000 1.052 593 K CA -0.581 55.690 56.287 -0.027 0.000 0.863 593 K CB 0.165 32.649 32.500 -0.027 0.000 1.549 593 K HN 0.647 nan 8.250 nan 0.000 0.391 594 G N 0.215 108.999 108.800 -0.025 0.000 2.598 594 G HA2 0.025 3.985 3.960 -0.001 0.000 0.244 594 G HA3 0.025 3.985 3.960 -0.001 0.000 0.244 594 G C 0.060 174.944 174.900 -0.026 0.000 1.302 594 G CA 0.019 45.103 45.100 -0.027 0.000 0.903 594 G HN 1.352 nan 8.290 nan 0.000 0.575 595 A N 1.382 124.184 122.820 -0.030 0.000 2.561 595 A HA 0.496 4.816 4.320 -0.001 0.000 0.234 595 A C -0.974 176.594 177.584 -0.026 0.000 1.055 595 A CA 0.608 52.628 52.037 -0.028 0.000 0.756 595 A CB -0.019 18.960 19.000 -0.034 0.000 0.986 595 A HN 0.887 nan 8.150 nan 0.000 0.505 596 P HA 0.124 nan 4.420 nan 0.000 0.225 596 P C -0.360 176.934 177.300 -0.010 0.000 1.813 596 P CA -0.110 62.982 63.100 -0.012 0.000 1.013 596 P CB -0.577 31.120 31.700 -0.006 0.000 1.961 597 T N 1.656 116.198 114.554 -0.019 0.000 2.928 597 T HA 0.057 4.407 4.350 -0.001 0.000 0.305 597 T C 0.256 174.960 174.700 0.006 0.000 1.035 597 T CA 0.732 62.822 62.100 -0.016 0.000 1.145 597 T CB 0.223 69.069 68.868 -0.036 0.000 0.963 597 T HN 0.245 nan 8.240 nan 0.000 0.545 598 D N 1.908 122.324 120.400 0.027 0.000 2.429 598 D HA 0.154 4.793 4.640 -0.001 0.000 0.255 598 D C -0.771 175.590 176.300 0.102 0.000 1.257 598 D CA -0.468 53.566 54.000 0.058 0.000 0.890 598 D CB 0.511 41.344 40.800 0.056 0.000 1.267 598 D HN 0.310 nan 8.370 nan 0.000 0.521 599 S N 2.833 118.612 115.700 0.131 0.000 2.422 599 S HA 0.277 4.747 4.470 -0.001 0.000 0.283 599 S C 0.516 175.271 174.600 0.258 0.000 1.163 599 S CA -0.632 57.712 58.200 0.241 0.000 1.054 599 S CB 0.794 64.164 63.200 0.284 0.000 0.967 599 S HN 0.185 nan 8.310 nan 0.000 0.499 600 R N 3.214 123.861 120.500 0.244 0.000 2.891 600 R HA 0.237 4.577 4.340 -0.001 0.000 0.248 600 R C 0.001 176.372 176.300 0.119 0.000 1.439 600 R CA -0.100 56.106 56.100 0.177 0.000 1.288 600 R CB -0.847 29.537 30.300 0.140 0.000 1.212 600 R HN 0.543 nan 8.270 nan 0.000 0.605 601 V N -1.840 118.172 119.914 0.163 0.000 3.141 601 V HA 0.707 4.827 4.120 -0.001 0.000 0.312 601 V C -0.195 175.958 176.094 0.099 0.000 1.157 601 V CA -0.761 61.587 62.300 0.081 0.000 1.041 601 V CB 2.637 34.500 31.823 0.067 0.000 1.071 601 V HN 0.293 nan 8.190 nan 0.000 0.441 602 T N 1.606 116.177 114.554 0.030 0.000 2.841 602 T HA 0.737 5.086 4.350 -0.001 0.000 0.285 602 T C -0.797 173.921 174.700 0.030 0.000 0.991 602 T CA -0.347 61.716 62.100 -0.062 0.000 0.966 602 T CB 1.425 70.254 68.868 -0.065 0.000 0.962 602 T HN 0.812 nan 8.240 nan 0.000 0.438 603 V N 3.546 123.482 119.914 0.036 0.000 2.656 603 V HA 0.844 4.964 4.120 -0.001 0.000 0.307 603 V C 0.086 176.329 176.094 0.249 0.000 1.051 603 V CA -0.854 61.572 62.300 0.210 0.000 0.893 603 V CB 2.166 34.231 31.823 0.403 0.000 0.999 603 V HN 1.094 nan 8.190 nan 0.000 0.426 604 T N -0.129 114.583 114.554 0.263 0.000 2.896 604 T HA 0.533 4.882 4.350 -0.001 0.000 0.297 604 T C -0.325 174.543 174.700 0.281 0.000 1.108 604 T CA -0.803 61.469 62.100 0.287 0.000 1.004 604 T CB 1.270 70.246 68.868 0.181 0.000 1.159 604 T HN 0.743 nan 8.240 nan 0.000 0.499 605 N N -0.099 118.770 118.700 0.283 0.000 2.614 605 N HA -0.100 4.640 4.740 -0.001 0.000 0.276 605 N C -0.703 174.999 175.510 0.320 0.000 1.119 605 N CA 0.010 53.280 53.050 0.366 0.000 0.742 605 N CB -0.840 37.894 38.487 0.412 0.000 0.900 605 N HN 0.578 nan 8.380 nan 0.000 0.549 606 V N 1.668 121.655 119.914 0.123 0.000 2.385 606 V HA 0.366 4.485 4.120 -0.001 0.000 0.269 606 V C 0.657 176.873 176.094 0.204 0.000 1.043 606 V CA -0.486 61.830 62.300 0.025 0.000 0.906 606 V CB 1.465 33.092 31.823 -0.328 0.000 0.995 606 V HN 0.121 nan 8.190 nan 0.000 0.467 607 V N 6.195 126.224 119.914 0.192 0.000 2.555 607 V HA 0.575 4.695 4.120 -0.001 0.000 0.302 607 V C -0.466 175.649 176.094 0.036 0.000 1.038 607 V CA -0.768 61.603 62.300 0.119 0.000 0.887 607 V CB 1.847 33.647 31.823 -0.039 0.000 0.991 607 V HN 0.663 nan 8.190 nan 0.000 0.434 608 L N 4.925 126.074 121.223 -0.123 0.000 2.356 608 L HA 0.704 5.043 4.340 -0.001 0.000 0.277 608 L C -1.417 175.190 176.870 -0.439 0.000 0.996 608 L CA -0.091 54.575 54.840 -0.290 0.000 0.822 608 L CB 1.353 43.037 42.059 -0.625 0.000 1.256 608 L HN 0.566 nan 8.230 nan 0.000 0.413 609 Y N 2.516 122.726 120.300 -0.149 0.000 2.509 609 Y HA 0.395 4.944 4.550 -0.001 0.000 0.341 609 Y C 0.726 176.524 175.900 -0.170 0.000 1.038 609 Y CA -0.711 57.275 58.100 -0.189 0.000 1.089 609 Y CB 1.389 39.762 38.460 -0.145 0.000 1.241 609 Y HN 0.708 nan 8.280 nan 0.000 0.468 610 N N 1.551 120.093 118.700 -0.263 0.000 2.378 610 N HA 0.132 4.871 4.740 -0.001 0.000 0.243 610 N C -0.637 174.811 175.510 -0.103 0.000 1.137 610 N CA -0.417 52.328 53.050 -0.510 0.000 0.862 610 N CB 0.003 37.753 38.487 -1.229 0.000 1.116 610 N HN 0.776 nan 8.380 nan 0.000 0.499 611 R N -2.086 118.415 120.500 0.001 0.000 2.733 611 R HA 0.394 4.733 4.340 -0.001 0.000 0.272 611 R C -1.348 174.908 176.300 -0.073 0.000 1.029 611 R CA -1.067 55.013 56.100 -0.034 0.000 0.888 611 R CB 1.027 31.290 30.300 -0.060 0.000 1.251 611 R HN 0.034 nan 8.270 nan 0.000 0.464 612 R N 2.129 122.555 120.500 -0.123 0.000 2.216 612 R HA 0.299 4.639 4.340 -0.001 0.000 0.332 612 R C -0.439 175.751 176.300 -0.183 0.000 1.056 612 R CA -0.441 55.564 56.100 -0.159 0.000 0.901 612 R CB 0.482 30.688 30.300 -0.157 0.000 1.039 612 R HN 0.565 nan 8.270 nan 0.000 0.456 613 L N 4.265 125.339 121.223 -0.247 0.000 2.485 613 L HA 0.021 4.360 4.340 -0.001 0.000 0.275 613 L C 0.599 177.331 176.870 -0.229 0.000 1.207 613 L CA -0.212 54.446 54.840 -0.304 0.000 0.855 613 L CB 0.192 41.999 42.059 -0.419 0.000 1.114 613 L HN 0.811 nan 8.230 nan 0.000 0.485 614 N N 0.064 118.646 118.700 -0.197 0.000 2.379 614 N HA 0.062 4.801 4.740 -0.001 0.000 0.260 614 N C 0.827 176.237 175.510 -0.167 0.000 1.254 614 N CA -0.125 52.835 53.050 -0.151 0.000 0.958 614 N CB 0.526 38.946 38.487 -0.113 0.000 1.208 614 N HN 0.579 nan 8.380 nan 0.000 0.532 615 S N -0.924 114.699 115.700 -0.128 0.000 2.370 615 S HA -0.266 4.204 4.470 -0.001 0.000 0.226 615 S C 1.885 176.416 174.600 -0.115 0.000 1.033 615 S CA 1.422 59.545 58.200 -0.128 0.000 1.011 615 S CB -1.092 62.068 63.200 -0.068 0.000 0.852 615 S HN 0.686 nan 8.310 nan 0.000 0.457 616 S N 1.651 117.296 115.700 -0.092 0.000 2.368 616 S HA -0.145 4.325 4.470 -0.001 0.000 0.225 616 S C 1.890 176.436 174.600 -0.090 0.000 1.030 616 S CA 1.375 59.530 58.200 -0.074 0.000 0.999 616 S CB -0.588 62.575 63.200 -0.062 0.000 0.844 616 S HN 0.723 nan 8.310 nan 0.000 0.459 617 E N 0.450 120.575 120.200 -0.125 0.000 2.106 617 E HA -0.045 4.304 4.350 -0.001 0.000 0.192 617 E C 2.049 178.562 176.600 -0.144 0.000 0.984 617 E CA 1.341 57.652 56.400 -0.147 0.000 0.806 617 E CB -0.227 29.344 29.700 -0.215 0.000 0.750 617 E HN 0.564 nan 8.360 nan 0.000 0.458 618 I N 0.869 121.331 120.570 -0.180 0.000 2.226 618 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 618 I C 2.731 178.814 176.117 -0.057 0.000 1.100 618 I CA 1.061 62.260 61.300 -0.168 0.000 1.374 618 I CB -0.216 37.561 38.000 -0.370 0.000 1.057 618 I HN 0.045 nan 8.210 nan 0.000 0.413 619 R N 0.547 121.015 120.500 -0.054 0.000 2.081 619 R HA -0.165 4.175 4.340 -0.001 0.000 0.235 619 R C 2.258 178.585 176.300 0.046 0.000 1.131 619 R CA 2.084 58.209 56.100 0.042 0.000 0.960 619 R CB -0.316 29.998 30.300 0.024 0.000 0.856 619 R HN 0.224 nan 8.270 nan 0.000 0.436 620 T N 1.583 116.127 114.554 -0.017 0.000 2.684 620 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 620 T C 1.778 176.446 174.700 -0.054 0.000 1.036 620 T CA 1.571 63.647 62.100 -0.039 0.000 1.148 620 T CB -0.146 68.692 68.868 -0.050 0.000 0.863 620 T HN 0.186 nan 8.240 nan 0.000 0.436 621 L N -0.065 121.137 121.223 -0.035 0.000 2.046 621 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 621 L C 2.309 179.030 176.870 -0.249 0.000 1.077 621 L CA 1.278 56.104 54.840 -0.023 0.000 0.747 621 L CB -0.586 41.558 42.059 0.142 0.000 0.896 621 L HN 0.225 nan 8.230 nan 0.000 0.432 622 F N 0.904 120.534 119.950 -0.534 0.000 2.126 622 F HA -0.214 4.313 4.527 0.000 0.000 0.299 622 F C 2.061 177.646 175.800 -0.358 0.000 1.096 622 F CA 1.554 59.095 58.000 -0.765 0.000 1.255 622 F CB -0.269 38.511 39.000 -0.366 0.000 0.997 622 F HN -0.107 nan 8.300 nan 0.000 0.479 623 L N -0.102 120.885 121.223 -0.393 0.000 2.395 623 L HA -0.041 4.299 4.340 -0.001 0.000 0.218 623 L C 1.869 178.571 176.870 -0.281 0.000 1.130 623 L CA 1.066 55.658 54.840 -0.415 0.000 0.826 623 L CB -0.567 41.373 42.059 -0.198 0.000 0.941 623 L HN 0.326 nan 8.230 nan 0.000 0.451 624 S N -2.460 113.118 115.700 -0.203 0.000 2.602 624 S HA 0.095 4.564 4.470 -0.001 0.000 0.240 624 S C 1.284 175.840 174.600 -0.074 0.000 0.992 624 S CA -0.558 57.572 58.200 -0.118 0.000 0.971 624 S CB 0.344 63.499 63.200 -0.075 0.000 0.855 624 S HN 0.324 nan 8.310 nan 0.000 0.481 625 Q N 1.443 121.178 119.800 -0.107 0.000 2.152 625 Q HA -0.155 4.184 4.340 -0.001 0.000 0.206 625 Q C 0.894 176.917 176.000 0.038 0.000 0.985 625 Q CA 1.684 57.487 55.803 -0.000 0.000 0.863 625 Q CB -0.208 28.530 28.738 -0.001 0.000 0.904 625 Q HN 0.559 nan 8.270 nan 0.000 0.422 626 D N -0.647 119.749 120.400 -0.006 0.000 2.349 626 D HA 0.010 4.649 4.640 -0.001 0.000 0.224 626 D C 1.219 177.539 176.300 0.033 0.000 1.029 626 D CA 0.677 54.687 54.000 0.016 0.000 0.879 626 D CB 0.263 41.055 40.800 -0.013 0.000 0.906 626 D HN 0.365 nan 8.370 nan 0.000 0.528 627 M N -0.414 119.205 119.600 0.033 0.000 2.421 627 M HA 0.184 4.664 4.480 -0.001 0.000 0.258 627 M C 1.949 178.308 176.300 0.099 0.000 1.122 627 M CA 0.226 55.551 55.300 0.043 0.000 1.078 627 M CB 0.520 33.117 32.600 -0.005 0.000 1.380 627 M HN -0.048 nan 8.290 nan 0.000 0.499 628 I N -1.740 118.910 120.570 0.134 0.000 3.603 628 I HA 0.339 4.509 4.170 -0.001 0.000 0.297 628 I C 1.083 177.433 176.117 0.388 0.000 1.269 628 I CA -0.367 61.063 61.300 0.216 0.000 1.361 628 I CB -0.647 37.438 38.000 0.143 0.000 1.063 628 I HN 0.012 nan 8.210 nan 0.000 0.448 629 G N 1.503 110.487 108.800 0.308 0.000 2.554 629 G HA2 0.217 4.176 3.960 -0.001 0.000 0.238 629 G HA3 0.217 4.176 3.960 -0.001 0.000 0.238 629 G C 0.959 175.976 174.900 0.194 0.000 1.259 629 G CA 0.394 45.660 45.100 0.278 0.000 0.843 629 G HN 0.424 nan 8.290 nan 0.000 0.582 630 T N -1.195 113.418 114.554 0.099 0.000 3.129 630 T HA 0.046 4.395 4.350 -0.001 0.000 0.251 630 T C 0.753 175.410 174.700 -0.072 0.000 1.117 630 T CA 0.433 62.539 62.100 0.011 0.000 1.034 630 T CB 0.023 68.869 68.868 -0.037 0.000 0.968 630 T HN 0.492 nan 8.240 nan 0.000 0.526 631 D N 0.000 120.331 120.400 -0.115 0.000 6.856 631 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 631 D CA 0.000 53.739 54.000 -0.435 0.000 0.868 631 D CB 0.000 40.564 40.800 -0.393 0.000 0.688 631 D HN 0.000 nan 8.370 nan 0.000 0.683