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 1n1t_1_A DATA FIRST_RESID 1 DATA SEQUENCE AASLAPGSSR VELFKRKNST VPFEESNGTI RERVVHSFRI PTIVNVDGVM DATA SEQUENCE VAIADARYET SFDNSFIETA VKYSVDDGAT WNTQIAIKNS RASSVSRVMD DATA SEQUENCE ATVIVKGNKL YILVGSFNKT RNSWTQHRDG SDWEPLLVVG EVTKSAANGK DATA SEQUENCE TTATISWGKP VSLKPLFPAE FDGILTKEFV 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 TPVVPAXXXX XXGcGAAVPT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.528 177.584 -0.094 0.000 1.274 1 A CA 0.000 52.000 52.037 -0.061 0.000 0.836 1 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 2 A N 0.517 123.305 122.820 -0.055 0.000 2.239 2 A HA 0.556 4.912 4.320 0.060 0.000 0.209 2 A C 0.962 178.504 177.584 -0.071 0.000 1.171 2 A CA 1.527 53.538 52.037 -0.044 0.000 0.768 2 A CB -0.329 18.667 19.000 -0.006 0.000 0.790 2 A HN 2.176 nan 8.150 nan 0.000 0.478 3 S N -2.205 113.439 115.700 -0.093 0.000 2.615 3 S HA 0.424 4.930 4.470 0.060 0.000 0.268 3 S C -1.157 173.389 174.600 -0.089 0.000 1.146 3 S CA -0.768 57.382 58.200 -0.084 0.000 0.818 3 S CB 0.194 63.369 63.200 -0.041 0.000 1.111 3 S HN 0.759 nan 8.310 nan 0.000 0.465 4 L N 3.104 124.286 121.223 -0.069 0.000 2.678 4 L HA 0.386 4.763 4.340 0.060 0.000 0.285 4 L C 0.540 177.382 176.870 -0.046 0.000 1.233 4 L CA 1.188 55.996 54.840 -0.054 0.000 0.920 4 L CB -0.381 41.666 42.059 -0.020 0.000 1.176 4 L HN 0.772 nan 8.230 nan 0.000 0.495 5 A N 6.748 129.538 122.820 -0.050 0.000 2.351 5 A HA 0.594 4.950 4.320 0.060 0.000 0.257 5 A C -2.261 175.306 177.584 -0.027 0.000 1.087 5 A CA -1.338 50.675 52.037 -0.039 0.000 0.798 5 A CB -0.481 18.496 19.000 -0.039 0.000 1.033 5 A HN 0.737 nan 8.150 nan 0.000 0.488 6 P HA 0.237 nan 4.420 nan 0.000 0.262 6 P C 1.029 178.318 177.300 -0.017 0.000 1.182 6 P CA 1.952 65.043 63.100 -0.015 0.000 0.761 6 P CB 0.576 32.270 31.700 -0.011 0.000 0.795 7 G N 1.574 110.365 108.800 -0.015 0.000 2.279 7 G HA2 -0.208 3.788 3.960 0.060 0.000 0.223 7 G HA3 -0.208 3.788 3.960 0.060 0.000 0.223 7 G C 0.451 175.337 174.900 -0.023 0.000 1.015 7 G CA -0.002 45.088 45.100 -0.017 0.000 0.621 7 G HN 0.580 nan 8.290 nan 0.000 0.506 8 S N 0.144 115.827 115.700 -0.028 0.000 2.693 8 S HA 0.853 5.359 4.470 0.060 0.000 0.276 8 S C 0.316 174.902 174.600 -0.024 0.000 1.192 8 S CA 0.489 58.668 58.200 -0.035 0.000 0.994 8 S CB 1.730 64.905 63.200 -0.042 0.000 1.012 8 S HN 1.834 nan 8.310 nan 0.000 0.550 9 S N 0.150 115.833 115.700 -0.028 0.000 2.636 9 S HA 0.764 5.271 4.470 0.060 0.000 0.266 9 S C -1.282 173.305 174.600 -0.022 0.000 1.147 9 S CA -1.270 56.923 58.200 -0.013 0.000 0.815 9 S CB 1.602 64.802 63.200 0.001 0.000 1.119 9 S HN 1.017 nan 8.310 nan 0.000 0.470 10 R N -0.859 119.640 120.500 -0.002 0.000 2.752 10 R HA 0.854 5.231 4.340 0.060 0.000 0.271 10 R C -1.546 174.777 176.300 0.040 0.000 1.026 10 R CA -0.947 55.152 56.100 -0.001 0.000 0.901 10 R CB 1.221 31.514 30.300 -0.013 0.000 1.243 10 R HN 1.328 nan 8.270 nan 0.000 0.463 11 V N -2.314 117.647 119.914 0.078 0.000 2.914 11 V HA 0.522 4.678 4.120 0.060 0.000 0.314 11 V C -0.458 175.665 176.094 0.050 0.000 1.084 11 V CA -0.980 61.370 62.300 0.082 0.000 0.963 11 V CB 1.900 33.804 31.823 0.135 0.000 1.025 11 V HN 0.948 nan 8.190 nan 0.000 0.432 12 E N 1.542 121.748 120.200 0.010 0.000 2.003 12 E HA 0.227 4.613 4.350 0.060 0.000 0.279 12 E C 0.147 176.700 176.600 -0.078 0.000 1.132 12 E CA -0.433 55.956 56.400 -0.018 0.000 0.888 12 E CB 1.375 31.069 29.700 -0.011 0.000 1.056 12 E HN 0.762 nan 8.360 nan 0.000 0.399 13 L N 5.772 126.925 121.223 -0.117 0.000 2.145 13 L HA 0.183 4.559 4.340 0.060 0.000 0.201 13 L C -0.096 176.441 176.870 -0.555 0.000 1.075 13 L CA 1.421 56.044 54.840 -0.363 0.000 0.773 13 L CB 0.197 41.983 42.059 -0.454 0.000 0.936 13 L HN 0.423 nan 8.230 nan 0.000 0.451 14 F N 1.563 121.230 119.950 -0.472 0.000 2.308 14 F HA 0.364 4.927 4.527 0.061 0.000 0.370 14 F C 0.154 175.703 175.800 -0.418 0.000 1.100 14 F CA -0.719 56.809 58.000 -0.787 0.000 1.108 14 F CB 0.550 38.887 39.000 -1.104 0.000 1.293 14 F HN -0.193 nan 8.300 nan 0.000 0.478 15 K N 4.538 124.864 120.400 -0.123 0.000 2.253 15 K HA 0.310 4.666 4.320 0.060 0.000 0.277 15 K C 0.086 176.854 176.600 0.281 0.000 1.053 15 K CA -0.859 55.476 56.287 0.081 0.000 0.892 15 K CB 1.094 33.603 32.500 0.017 0.000 1.102 15 K HN 0.620 nan 8.250 nan 0.000 0.469 16 R N 2.545 123.213 120.500 0.281 0.000 2.638 16 R HA -0.053 4.323 4.340 0.060 0.000 0.268 16 R C -0.588 175.765 176.300 0.088 0.000 1.006 16 R CA 0.056 56.277 56.100 0.201 0.000 1.088 16 R CB -0.074 30.277 30.300 0.086 0.000 0.950 16 R HN 0.621 nan 8.270 nan 0.000 0.419 17 K N 0.664 121.083 120.400 0.033 0.000 3.071 17 K HA -0.300 4.056 4.320 0.060 0.000 0.262 17 K C -0.010 176.618 176.600 0.047 0.000 0.977 17 K CA 1.233 57.522 56.287 0.005 0.000 0.721 17 K CB -0.923 31.539 32.500 -0.063 0.000 1.293 17 K HN 0.924 nan 8.250 nan 0.000 0.475 18 N N -1.162 117.598 118.700 0.099 0.000 2.626 18 N HA -0.031 4.745 4.740 0.060 0.000 0.339 18 N C -0.862 174.709 175.510 0.102 0.000 0.610 18 N CA 0.313 53.411 53.050 0.079 0.000 1.434 18 N CB 0.273 38.793 38.487 0.054 0.000 1.551 18 N HN 0.032 nan 8.380 nan 0.000 1.653 19 S N 1.488 117.274 115.700 0.142 0.000 2.525 19 S HA 0.263 4.770 4.470 0.060 0.000 0.285 19 S C 0.322 175.052 174.600 0.217 0.000 1.283 19 S CA 0.124 58.388 58.200 0.107 0.000 1.072 19 S CB 0.466 63.641 63.200 -0.042 0.000 0.867 19 S HN 0.516 nan 8.310 nan 0.000 0.492 20 T N -0.096 114.540 114.554 0.136 0.000 2.927 20 T HA 0.736 5.123 4.350 0.060 0.000 0.281 20 T C 0.015 174.829 174.700 0.189 0.000 0.998 20 T CA -0.869 61.335 62.100 0.174 0.000 1.019 20 T CB 1.065 70.009 68.868 0.125 0.000 1.061 20 T HN 0.528 nan 8.240 nan 0.000 0.518 21 V N -2.381 117.677 119.914 0.240 0.000 3.001 21 V HA 0.783 4.939 4.120 0.060 0.000 0.314 21 V C -2.936 173.315 176.094 0.261 0.000 1.099 21 V CA -3.109 59.338 62.300 0.245 0.000 0.989 21 V CB 1.901 33.900 31.823 0.294 0.000 1.040 21 V HN 0.814 nan 8.190 nan 0.000 0.434 22 P HA 0.204 nan 4.420 nan 0.000 0.247 22 P C -0.664 176.778 177.300 0.237 0.000 1.756 22 P CA 0.035 63.252 63.100 0.195 0.000 1.117 22 P CB -0.285 31.495 31.700 0.134 0.000 1.869 23 F N 2.745 122.782 119.950 0.145 0.000 2.543 23 F HA 0.109 4.672 4.527 0.059 0.000 0.375 23 F C 0.766 176.607 175.800 0.069 0.000 1.075 23 F CA -0.441 57.633 58.000 0.123 0.000 1.225 23 F CB 0.560 39.607 39.000 0.077 0.000 1.099 23 F HN 0.216 nan 8.300 nan 0.000 0.561 24 E N 6.145 125.949 120.200 -0.660 0.000 2.115 24 E HA 0.124 4.510 4.350 0.060 0.000 0.282 24 E C -0.474 175.666 176.600 -0.766 0.000 0.987 24 E CA -0.757 55.339 56.400 -0.506 0.000 0.797 24 E CB 0.552 30.080 29.700 -0.287 0.000 1.086 24 E HN 0.565 nan 8.360 nan 0.000 0.397 25 E N 2.583 122.544 120.200 -0.399 0.000 2.392 25 E HA 0.030 4.416 4.350 0.060 0.000 0.256 25 E C 1.169 177.678 176.600 -0.152 0.000 1.145 25 E CA 0.602 56.873 56.400 -0.215 0.000 0.929 25 E CB 0.905 30.587 29.700 -0.030 0.000 0.998 25 E HN 0.799 nan 8.360 nan 0.000 0.442 26 S N 2.053 117.710 115.700 -0.070 0.000 2.400 26 S HA -0.226 4.280 4.470 0.060 0.000 0.232 26 S C 1.339 175.916 174.600 -0.038 0.000 1.025 26 S CA 1.911 60.085 58.200 -0.044 0.000 0.993 26 S CB -0.493 62.703 63.200 -0.008 0.000 0.808 26 S HN 0.531 nan 8.310 nan 0.000 0.478 27 N N 0.079 118.761 118.700 -0.030 0.000 2.461 27 N HA 0.277 5.053 4.740 0.060 0.000 0.188 27 N C 1.103 176.597 175.510 -0.027 0.000 1.134 27 N CA 1.076 54.113 53.050 -0.021 0.000 0.878 27 N CB -0.337 38.144 38.487 -0.010 0.000 0.972 27 N HN 0.714 nan 8.380 nan 0.000 0.456 28 G N -1.106 107.666 108.800 -0.047 0.000 2.195 28 G HA2 -0.289 3.707 3.960 0.060 0.000 0.246 28 G HA3 -0.289 3.707 3.960 0.060 0.000 0.246 28 G C 0.176 175.052 174.900 -0.039 0.000 0.984 28 G CA 0.462 45.534 45.100 -0.046 0.000 0.633 28 G HN 0.759 nan 8.290 nan 0.000 0.525 29 T N 1.410 115.946 114.554 -0.030 0.000 2.918 29 T HA 0.519 4.905 4.350 0.060 0.000 0.302 29 T C 0.630 175.319 174.700 -0.017 0.000 1.045 29 T CA -0.356 61.737 62.100 -0.011 0.000 1.114 29 T CB 0.210 69.081 68.868 0.005 0.000 0.965 29 T HN 0.324 nan 8.240 nan 0.000 0.540 30 I N 4.602 125.177 120.570 0.008 0.000 2.392 30 I HA 0.464 4.670 4.170 0.060 0.000 0.295 30 I C 0.478 176.638 176.117 0.072 0.000 0.985 30 I CA -0.521 60.797 61.300 0.029 0.000 1.221 30 I CB 1.404 39.425 38.000 0.037 0.000 1.366 30 I HN 0.766 nan 8.210 nan 0.000 0.467 31 R N 4.736 125.314 120.500 0.130 0.000 2.575 31 R HA 0.320 4.696 4.340 0.060 0.000 0.293 31 R C -0.857 175.551 176.300 0.180 0.000 0.983 31 R CA -0.592 55.596 56.100 0.148 0.000 0.887 31 R CB 1.698 32.098 30.300 0.166 0.000 1.184 31 R HN 0.422 nan 8.270 nan 0.000 0.445 32 E N 3.846 124.126 120.200 0.133 0.000 2.292 32 E HA 0.019 4.405 4.350 0.060 0.000 0.265 32 E C -0.604 176.080 176.600 0.141 0.000 1.093 32 E CA 0.196 56.678 56.400 0.137 0.000 0.922 32 E CB 0.811 30.569 29.700 0.096 0.000 1.001 32 E HN 0.401 nan 8.360 nan 0.000 0.444 33 R N 2.322 122.936 120.500 0.191 0.000 2.445 33 R HA 0.349 4.725 4.340 0.060 0.000 0.308 33 R C -0.598 175.812 176.300 0.183 0.000 0.961 33 R CA -0.676 55.519 56.100 0.158 0.000 0.862 33 R CB 1.039 31.423 30.300 0.141 0.000 1.144 33 R HN 0.179 nan 8.270 nan 0.000 0.447 34 V N 4.222 124.211 119.914 0.125 0.000 2.811 34 V HA 0.191 4.347 4.120 0.060 0.000 0.302 34 V C -0.099 176.068 176.094 0.122 0.000 1.063 34 V CA -0.355 62.016 62.300 0.118 0.000 1.088 34 V CB 1.493 33.361 31.823 0.075 0.000 0.982 34 V HN 0.489 nan 8.190 nan 0.000 0.485 35 V N 3.415 123.354 119.914 0.043 0.000 2.444 35 V HA 0.268 4.424 4.120 0.060 0.000 0.294 35 V C 0.940 176.936 176.094 -0.162 0.000 1.022 35 V CA -0.438 61.760 62.300 -0.169 0.000 0.850 35 V CB 1.129 32.566 31.823 -0.643 0.000 0.992 35 V HN 0.990 nan 8.190 nan 0.000 0.426 36 H N 2.992 121.962 119.070 -0.167 0.000 2.265 36 H HA -0.027 4.565 4.556 0.061 0.000 0.295 36 H C 0.479 175.736 175.328 -0.117 0.000 1.084 36 H CA 1.902 57.894 56.048 -0.092 0.000 1.261 36 H CB 0.588 30.324 29.762 -0.043 0.000 1.360 36 H HN 0.581 nan 8.280 nan 0.000 0.487 37 S N -1.009 114.685 115.700 -0.010 0.000 2.549 37 S HA 0.435 4.941 4.470 0.060 0.000 0.280 37 S C -1.455 172.945 174.600 -0.332 0.000 1.109 37 S CA -0.638 57.568 58.200 0.009 0.000 0.905 37 S CB 1.820 65.189 63.200 0.283 0.000 1.081 37 S HN 0.198 nan 8.310 nan 0.000 0.477 38 F N 2.046 122.010 119.950 0.023 0.000 2.444 38 F HA 0.605 5.169 4.527 0.060 0.000 0.342 38 F C 0.822 176.529 175.800 -0.154 0.000 1.121 38 F CA -0.576 57.361 58.000 -0.105 0.000 0.997 38 F CB 1.339 40.287 39.000 -0.087 0.000 1.130 38 F HN 0.225 nan 8.300 nan 0.000 0.454 39 R N 2.466 122.897 120.500 -0.114 0.000 2.905 39 R HA 0.605 4.981 4.340 0.060 0.000 0.260 39 R C -0.917 175.255 176.300 -0.214 0.000 1.086 39 R CA -1.121 54.841 56.100 -0.229 0.000 0.978 39 R CB 1.934 31.964 30.300 -0.450 0.000 1.215 39 R HN 0.546 nan 8.270 nan 0.000 0.480 40 I N -0.074 120.372 120.570 -0.208 0.000 7.004 40 I HA -0.142 4.064 4.170 0.060 0.000 0.126 40 I C -2.336 173.761 176.117 -0.033 0.000 1.826 40 I CA -0.192 61.068 61.300 -0.067 0.000 2.066 40 I CB -2.343 35.591 38.000 -0.110 0.000 3.565 40 I HN 0.483 nan 8.210 nan 0.000 0.178 41 P HA 0.399 nan 4.420 nan 0.000 0.275 41 P C -0.104 177.216 177.300 0.032 0.000 1.227 41 P CA 0.295 63.368 63.100 -0.045 0.000 0.781 41 P CB 1.499 33.199 31.700 -0.001 0.000 0.906 42 T N 3.248 117.818 114.554 0.027 0.000 2.971 42 T HA 0.522 4.908 4.350 0.060 0.000 0.304 42 T C -0.544 174.228 174.700 0.120 0.000 1.038 42 T CA -0.348 61.806 62.100 0.090 0.000 1.007 42 T CB 1.092 70.020 68.868 0.100 0.000 1.055 42 T HN 0.369 nan 8.240 nan 0.000 0.451 43 I N 4.220 124.888 120.570 0.163 0.000 2.466 43 I HA 0.749 4.956 4.170 0.060 0.000 0.289 43 I C -0.787 175.448 176.117 0.197 0.000 1.026 43 I CA -0.812 60.608 61.300 0.200 0.000 1.078 43 I CB 0.841 38.995 38.000 0.255 0.000 1.249 43 I HN 0.552 nan 8.210 nan 0.000 0.429 44 V N 3.360 123.385 119.914 0.186 0.000 3.141 44 V HA 0.675 4.831 4.120 0.060 0.000 0.312 44 V C -1.087 175.090 176.094 0.138 0.000 1.157 44 V CA -0.841 61.557 62.300 0.163 0.000 1.041 44 V CB 1.896 33.812 31.823 0.154 0.000 1.071 44 V HN 0.775 nan 8.190 nan 0.000 0.441 45 N N 0.620 119.387 118.700 0.113 0.000 2.424 45 N HA 0.608 5.384 4.740 0.060 0.000 0.271 45 N C -1.282 174.263 175.510 0.059 0.000 0.985 45 N CA -0.407 52.688 53.050 0.075 0.000 0.921 45 N CB 1.639 40.167 38.487 0.068 0.000 1.149 45 N HN 0.710 nan 8.380 nan 0.000 0.492 46 V N 3.485 123.420 119.914 0.035 0.000 2.325 46 V HA 0.241 4.398 4.120 0.060 0.000 0.280 46 V C 0.030 176.115 176.094 -0.014 0.000 1.016 46 V CA -0.727 61.579 62.300 0.010 0.000 0.818 46 V CB 0.802 32.617 31.823 -0.012 0.000 1.019 46 V HN 0.869 nan 8.190 nan 0.000 0.434 47 D N 4.352 124.747 120.400 -0.010 0.000 2.701 47 D HA -0.187 4.490 4.640 0.060 0.000 0.235 47 D C 1.303 177.589 176.300 -0.024 0.000 1.155 47 D CA 2.170 56.158 54.000 -0.020 0.000 0.649 47 D CB -1.038 39.741 40.800 -0.035 0.000 1.050 47 D HN 1.424 nan 8.370 nan 0.000 0.425 48 G N -2.323 106.467 108.800 -0.017 0.000 2.195 48 G HA2 -0.253 3.743 3.960 0.060 0.000 0.246 48 G HA3 -0.253 3.743 3.960 0.060 0.000 0.246 48 G C 0.317 175.196 174.900 -0.036 0.000 0.984 48 G CA 0.140 45.225 45.100 -0.024 0.000 0.633 48 G HN 0.926 nan 8.290 nan 0.000 0.525 49 V N 2.644 122.540 119.914 -0.029 0.000 2.350 49 V HA 0.550 4.706 4.120 0.060 0.000 0.276 49 V C 0.914 177.006 176.094 -0.004 0.000 1.028 49 V CA -0.425 61.859 62.300 -0.028 0.000 0.860 49 V CB 1.464 33.272 31.823 -0.024 0.000 0.990 49 V HN 0.361 nan 8.190 nan 0.000 0.453 50 M N 4.884 124.457 119.600 -0.045 0.000 2.219 50 M HA 0.308 4.824 4.480 0.060 0.000 0.353 50 M C -0.728 175.670 176.300 0.164 0.000 1.304 50 M CA 0.218 55.528 55.300 0.017 0.000 1.115 50 M CB 0.924 33.460 32.600 -0.108 0.000 1.664 50 M HN 0.402 nan 8.290 nan 0.000 0.459 51 V N 3.104 123.154 119.914 0.227 0.000 2.483 51 V HA 0.661 4.818 4.120 0.060 0.000 0.297 51 V C -0.237 176.041 176.094 0.305 0.000 1.027 51 V CA -0.903 61.582 62.300 0.309 0.000 0.855 51 V CB 1.513 33.483 31.823 0.246 0.000 0.995 51 V HN 0.925 nan 8.190 nan 0.000 0.424 52 A N 6.204 129.231 122.820 0.344 0.000 2.288 52 A HA 0.928 5.285 4.320 0.060 0.000 0.320 52 A C -0.796 176.924 177.584 0.228 0.000 1.217 52 A CA -0.407 51.781 52.037 0.251 0.000 0.840 52 A CB 0.588 19.708 19.000 0.199 0.000 1.179 52 A HN 0.764 nan 8.150 nan 0.000 0.504 53 I N 1.503 122.127 120.570 0.089 0.000 2.530 53 I HA 0.725 4.931 4.170 0.060 0.000 0.297 53 I C 0.318 176.340 176.117 -0.158 0.000 1.011 53 I CA -0.106 61.202 61.300 0.014 0.000 1.107 53 I CB 2.254 40.283 38.000 0.049 0.000 1.285 53 I HN 0.785 nan 8.210 nan 0.000 0.436 54 A N 3.369 126.062 122.820 -0.212 0.000 2.604 54 A HA 0.611 4.967 4.320 0.060 0.000 0.295 54 A C -1.722 175.758 177.584 -0.174 0.000 1.067 54 A CA -0.716 51.142 52.037 -0.299 0.000 0.683 54 A CB 1.230 19.811 19.000 -0.698 0.000 1.281 54 A HN 0.564 nan 8.150 nan 0.000 0.407 55 D N 1.433 121.729 120.400 -0.173 0.000 2.383 55 D HA 0.481 5.157 4.640 0.060 0.000 0.252 55 D C 0.271 176.461 176.300 -0.183 0.000 1.166 55 D CA 0.952 54.844 54.000 -0.181 0.000 0.879 55 D CB 1.340 42.009 40.800 -0.218 0.000 1.164 55 D HN 0.756 nan 8.370 nan 0.000 0.462 56 A N 4.309 126.979 122.820 -0.251 0.000 2.366 56 A HA 0.332 4.688 4.320 0.060 0.000 0.322 56 A C 0.104 177.324 177.584 -0.608 0.000 1.397 56 A CA -0.681 51.062 52.037 -0.491 0.000 0.984 56 A CB 0.230 18.926 19.000 -0.507 0.000 1.149 56 A HN 0.432 nan 8.150 nan 0.000 0.540 57 R N 3.133 123.329 120.500 -0.507 0.000 2.287 57 R HA 0.220 4.596 4.340 0.060 0.000 0.327 57 R C -0.442 175.726 176.300 -0.219 0.000 1.109 57 R CA -0.149 55.775 56.100 -0.294 0.000 1.013 57 R CB 0.241 30.406 30.300 -0.226 0.000 1.126 57 R HN 0.851 nan 8.270 nan 0.000 0.503 58 Y N 1.058 121.317 120.300 -0.068 0.000 2.224 58 Y HA -0.217 4.368 4.550 0.059 0.000 0.289 58 Y C 1.944 177.835 175.900 -0.015 0.000 1.146 58 Y CA 1.280 59.359 58.100 -0.035 0.000 1.182 58 Y CB 0.376 38.874 38.460 0.064 0.000 0.983 58 Y HN 0.438 nan 8.280 nan 0.000 0.524 59 E N -1.573 118.712 120.200 0.141 0.000 2.399 59 E HA 0.120 4.506 4.350 0.060 0.000 0.205 59 E C 0.580 177.081 176.600 -0.165 0.000 0.906 59 E CA 0.644 57.066 56.400 0.037 0.000 0.998 59 E CB 0.783 30.497 29.700 0.024 0.000 1.002 59 E HN 0.201 nan 8.360 nan 0.000 0.501 60 T N -0.907 113.461 114.554 -0.310 0.000 2.769 60 T HA 0.172 4.559 4.350 0.060 0.000 0.306 60 T C 0.064 174.520 174.700 -0.406 0.000 1.400 60 T CA 0.037 61.748 62.100 -0.649 0.000 1.007 60 T CB 1.307 70.031 68.868 -0.240 0.000 1.392 60 T HN -0.070 nan 8.240 nan 0.000 0.500 61 S N 1.400 116.923 115.700 -0.295 0.000 2.593 61 S HA 0.251 4.758 4.470 0.060 0.000 0.217 61 S C 0.594 175.156 174.600 -0.064 0.000 0.966 61 S CA -0.590 57.571 58.200 -0.065 0.000 0.914 61 S CB -0.718 62.617 63.200 0.225 0.000 0.776 61 S HN 0.606 nan 8.310 nan 0.000 0.523 62 F N 2.889 122.725 119.950 -0.190 0.000 2.563 62 F HA 0.108 4.672 4.527 0.062 0.000 0.363 62 F C 1.011 176.705 175.800 -0.177 0.000 1.123 62 F CA -0.339 57.556 58.000 -0.174 0.000 1.307 62 F CB 0.602 39.515 39.000 -0.144 0.000 1.115 62 F HN -0.028 nan 8.300 nan 0.000 0.592 63 D N 2.360 122.318 120.400 -0.736 0.000 2.144 63 D HA -0.180 4.496 4.640 0.060 0.000 0.199 63 D C 0.233 176.065 176.300 -0.781 0.000 0.984 63 D CA 1.453 55.046 54.000 -0.678 0.000 0.834 63 D CB -0.160 40.294 40.800 -0.577 0.000 0.955 63 D HN 0.443 nan 8.370 nan 0.000 0.465 64 N N 0.986 118.850 118.700 -1.394 0.000 3.229 64 N HA 0.118 4.894 4.740 0.060 0.000 0.275 64 N C -0.358 174.980 175.510 -0.287 0.000 1.225 64 N CA -0.020 52.583 53.050 -0.746 0.000 1.119 64 N CB 0.838 38.955 38.487 -0.617 0.000 1.392 64 N HN 0.063 nan 8.380 nan 0.000 0.520 65 S N -0.715 114.886 115.700 -0.165 0.000 2.776 65 S HA 0.496 5.002 4.470 0.060 0.000 0.292 65 S C -0.776 173.867 174.600 0.072 0.000 1.187 65 S CA -0.900 57.324 58.200 0.039 0.000 0.834 65 S CB 1.155 64.395 63.200 0.067 0.000 1.199 65 S HN 0.123 nan 8.310 nan 0.000 0.514 66 F N 1.504 121.459 119.950 0.008 0.000 2.466 66 F HA 0.616 5.180 4.527 0.060 0.000 0.363 66 F C -0.534 175.348 175.800 0.137 0.000 1.109 66 F CA -0.427 57.607 58.000 0.056 0.000 1.161 66 F CB -0.322 38.694 39.000 0.027 0.000 1.117 66 F HN 0.400 nan 8.300 nan 0.000 0.539 67 I N 5.439 125.867 120.570 -0.237 0.000 2.686 67 I HA 0.371 4.577 4.170 0.060 0.000 0.295 67 I C -0.782 175.215 176.117 -0.200 0.000 1.114 67 I CA -0.740 60.460 61.300 -0.167 0.000 1.038 67 I CB 2.338 40.233 38.000 -0.174 0.000 1.238 67 I HN 0.473 nan 8.210 nan 0.000 0.420 68 E N 2.274 122.404 120.200 -0.116 0.000 2.359 68 E HA 0.463 4.850 4.350 0.060 0.000 0.266 68 E C -1.214 175.315 176.600 -0.118 0.000 0.920 68 E CA -0.886 55.474 56.400 -0.066 0.000 0.788 68 E CB 2.465 32.253 29.700 0.146 0.000 1.279 68 E HN 0.415 nan 8.360 nan 0.000 0.438 69 T N 1.362 115.842 114.554 -0.122 0.000 2.727 69 T HA 0.441 4.827 4.350 0.060 0.000 0.298 69 T C -0.311 174.318 174.700 -0.119 0.000 0.942 69 T CA -0.434 61.578 62.100 -0.147 0.000 0.997 69 T CB 0.659 69.406 68.868 -0.201 0.000 0.917 69 T HN 0.460 nan 8.240 nan 0.000 0.487 70 A N 3.531 126.325 122.820 -0.042 0.000 2.295 70 A HA 0.809 5.165 4.320 0.060 0.000 0.318 70 A C -0.388 177.254 177.584 0.097 0.000 1.134 70 A CA -0.585 51.495 52.037 0.073 0.000 0.827 70 A CB 0.853 20.001 19.000 0.247 0.000 1.136 70 A HN 0.652 nan 8.150 nan 0.000 0.493 71 V N 1.614 121.630 119.914 0.169 0.000 2.760 71 V HA 0.429 4.585 4.120 0.060 0.000 0.309 71 V C -0.404 175.864 176.094 0.289 0.000 1.077 71 V CA -0.672 61.782 62.300 0.256 0.000 0.910 71 V CB 2.109 34.094 31.823 0.270 0.000 1.008 71 V HN 0.942 nan 8.190 nan 0.000 0.424 72 K N 3.781 124.359 120.400 0.296 0.000 2.324 72 K HA 0.712 5.068 4.320 0.060 0.000 0.253 72 K C -1.670 175.205 176.600 0.458 0.000 0.932 72 K CA -0.688 55.677 56.287 0.131 0.000 0.799 72 K CB 2.357 34.591 32.500 -0.442 0.000 1.154 72 K HN 0.743 nan 8.250 nan 0.000 0.425 73 Y N -1.713 118.822 120.300 0.391 0.000 2.524 73 Y HA 0.694 5.280 4.550 0.060 0.000 0.347 73 Y C -0.795 175.113 175.900 0.013 0.000 1.005 73 Y CA -1.050 57.216 58.100 0.276 0.000 1.025 73 Y CB 2.098 40.649 38.460 0.153 0.000 1.275 73 Y HN 0.407 nan 8.280 nan 0.000 0.460 74 S N 1.457 117.038 115.700 -0.198 0.000 2.547 74 S HA 0.491 4.998 4.470 0.060 0.000 0.281 74 S C -0.168 174.241 174.600 -0.318 0.000 1.118 74 S CA -0.212 57.622 58.200 -0.609 0.000 0.947 74 S CB 1.471 63.714 63.200 -1.596 0.000 1.053 74 S HN 1.368 nan 8.310 nan 0.000 0.482 75 V N 0.797 120.572 119.914 -0.232 0.000 3.621 75 V HA 0.405 4.561 4.120 0.060 0.000 0.285 75 V C 0.197 176.192 176.094 -0.165 0.000 1.346 75 V CA 0.625 62.841 62.300 -0.140 0.000 1.104 75 V CB -0.321 31.463 31.823 -0.065 0.000 0.913 75 V HN 0.802 nan 8.190 nan 0.000 0.432 76 D N -1.193 119.059 120.400 -0.245 0.000 2.788 76 D HA 0.186 4.862 4.640 0.060 0.000 0.289 76 D C 0.078 176.262 176.300 -0.194 0.000 1.340 76 D CA -0.420 53.470 54.000 -0.184 0.000 0.831 76 D CB -0.424 40.283 40.800 -0.156 0.000 1.103 76 D HN 0.188 nan 8.370 nan 0.000 0.476 77 D N 0.345 120.607 120.400 -0.231 0.000 2.751 77 D HA -0.155 4.521 4.640 0.060 0.000 0.233 77 D C 1.323 177.526 176.300 -0.160 0.000 1.149 77 D CA 1.682 55.576 54.000 -0.175 0.000 0.682 77 D CB -1.297 39.511 40.800 0.013 0.000 1.068 77 D HN 0.741 nan 8.370 nan 0.000 0.429 78 G N -1.576 106.915 108.800 -0.516 0.000 2.176 78 G HA2 -0.247 3.749 3.960 0.060 0.000 0.232 78 G HA3 -0.247 3.749 3.960 0.060 0.000 0.232 78 G C 1.224 176.002 174.900 -0.203 0.000 0.986 78 G CA 0.883 45.680 45.100 -0.505 0.000 0.643 78 G HN 0.929 nan 8.290 nan 0.000 0.522 79 A N -0.419 122.282 122.820 -0.199 0.000 1.877 79 A HA 0.409 4.766 4.320 0.060 0.000 0.216 79 A C 1.677 179.186 177.584 -0.125 0.000 1.186 79 A CA 2.737 54.724 52.037 -0.084 0.000 0.620 79 A CB -0.396 18.559 19.000 -0.075 0.000 0.822 79 A HN 1.998 nan 8.150 nan 0.000 0.443 80 T N -5.777 108.590 114.554 -0.311 0.000 2.896 80 T HA 0.579 4.965 4.350 0.060 0.000 0.297 80 T C -1.225 173.170 174.700 -0.509 0.000 1.108 80 T CA -0.749 61.204 62.100 -0.245 0.000 1.004 80 T CB 1.329 70.104 68.868 -0.155 0.000 1.159 80 T HN 0.376 nan 8.240 nan 0.000 0.499 81 W N 0.460 121.617 121.300 -0.237 0.000 3.032 81 W HA 0.655 5.352 4.660 0.060 0.000 0.335 81 W C -0.604 175.688 176.519 -0.379 0.000 1.154 81 W CA -0.588 56.557 57.345 -0.334 0.000 1.204 81 W CB 1.846 31.086 29.460 -0.367 0.000 1.416 81 W HN 0.577 nan 8.180 nan 0.000 0.521 82 N N 0.634 119.121 118.700 -0.355 0.000 2.417 82 N HA 0.649 5.425 4.740 0.060 0.000 0.300 82 N C -0.980 174.343 175.510 -0.311 0.000 1.102 82 N CA -0.456 52.327 53.050 -0.446 0.000 0.886 82 N CB 1.892 39.865 38.487 -0.856 0.000 1.203 82 N HN 0.179 nan 8.380 nan 0.000 0.496 83 T N 1.403 115.889 114.554 -0.114 0.000 2.841 83 T HA 0.565 4.951 4.350 0.060 0.000 0.283 83 T C -0.481 174.287 174.700 0.114 0.000 1.000 83 T CA -0.647 61.448 62.100 -0.007 0.000 0.977 83 T CB 1.560 70.397 68.868 -0.051 0.000 0.979 83 T HN 0.318 nan 8.240 nan 0.000 0.446 84 Q N 1.246 121.152 119.800 0.178 0.000 2.501 84 Q HA 0.545 4.921 4.340 0.060 0.000 0.288 84 Q C -1.228 174.848 176.000 0.127 0.000 1.051 84 Q CA -1.108 54.810 55.803 0.191 0.000 0.788 84 Q CB 2.218 31.136 28.738 0.301 0.000 1.469 84 Q HN 0.400 nan 8.270 nan 0.000 0.416 85 I N 1.869 122.492 120.570 0.088 0.000 2.306 85 I HA 0.212 4.418 4.170 0.060 0.000 0.288 85 I C 0.681 176.711 176.117 -0.144 0.000 1.036 85 I CA 0.186 61.497 61.300 0.018 0.000 1.221 85 I CB 0.604 38.661 38.000 0.094 0.000 1.385 85 I HN 0.902 nan 8.210 nan 0.000 0.472 86 A N 7.780 130.366 122.820 -0.390 0.000 1.897 86 A HA 0.154 4.511 4.320 0.060 0.000 0.215 86 A C 0.967 178.201 177.584 -0.584 0.000 1.181 86 A CA 1.085 52.546 52.037 -0.960 0.000 0.620 86 A CB 0.106 18.086 19.000 -1.700 0.000 0.821 86 A HN 0.609 nan 8.150 nan 0.000 0.443 87 I N -0.029 120.325 120.570 -0.360 0.000 2.478 87 I HA 0.251 4.457 4.170 0.060 0.000 0.287 87 I C -0.754 175.281 176.117 -0.137 0.000 1.042 87 I CA -0.611 60.554 61.300 -0.224 0.000 1.067 87 I CB 2.098 39.964 38.000 -0.223 0.000 1.233 87 I HN 0.022 nan 8.210 nan 0.000 0.431 88 K N 5.133 125.473 120.400 -0.100 0.000 2.118 88 K HA 0.308 4.665 4.320 0.060 0.000 0.264 88 K C -0.030 176.513 176.600 -0.094 0.000 1.000 88 K CA -0.613 55.632 56.287 -0.071 0.000 0.929 88 K CB 1.013 33.473 32.500 -0.066 0.000 1.021 88 K HN 0.682 nan 8.250 nan 0.000 0.463 89 N N -0.738 117.897 118.700 -0.109 0.000 2.364 89 N HA -0.022 4.754 4.740 0.060 0.000 0.264 89 N C 0.623 176.092 175.510 -0.069 0.000 1.263 89 N CA -0.314 52.658 53.050 -0.131 0.000 0.959 89 N CB 0.909 39.255 38.487 -0.234 0.000 1.204 89 N HN 0.537 nan 8.380 nan 0.000 0.550 90 S N -0.632 115.036 115.700 -0.053 0.000 2.515 90 S HA -0.059 4.447 4.470 0.060 0.000 0.231 90 S C 0.509 175.129 174.600 0.034 0.000 0.987 90 S CA -0.139 58.048 58.200 -0.020 0.000 0.936 90 S CB -0.357 62.826 63.200 -0.028 0.000 0.766 90 S HN 0.665 nan 8.310 nan 0.000 0.528 91 R N -0.337 120.220 120.500 0.096 0.000 3.758 91 R HA -0.192 4.185 4.340 0.060 0.000 0.299 91 R C 1.063 177.439 176.300 0.127 0.000 1.182 91 R CA 0.859 57.072 56.100 0.188 0.000 0.809 91 R CB -2.802 27.593 30.300 0.158 0.000 1.249 91 R HN 0.686 nan 8.270 nan 0.000 0.497 92 A N 0.038 122.917 122.820 0.097 0.000 1.968 92 A HA 0.065 4.421 4.320 0.060 0.000 0.217 92 A C 1.128 178.757 177.584 0.076 0.000 1.169 92 A CA 1.556 53.633 52.037 0.068 0.000 0.638 92 A CB 0.152 19.180 19.000 0.047 0.000 0.812 92 A HN 0.702 nan 8.150 nan 0.000 0.446 93 S N -2.796 112.972 115.700 0.113 0.000 2.727 93 S HA 0.360 4.866 4.470 0.060 0.000 0.278 93 S C 0.728 175.415 174.600 0.145 0.000 1.186 93 S CA 0.425 58.684 58.200 0.098 0.000 0.836 93 S CB 0.595 63.843 63.200 0.080 0.000 1.186 93 S HN 0.835 nan 8.310 nan 0.000 0.499 94 S N -0.203 115.547 115.700 0.083 0.000 2.507 94 S HA -0.042 4.464 4.470 0.060 0.000 0.235 94 S C 1.299 176.015 174.600 0.194 0.000 0.988 94 S CA 0.931 59.167 58.200 0.059 0.000 0.944 94 S CB -0.970 62.226 63.200 -0.008 0.000 0.762 94 S HN 1.758 nan 8.310 nan 0.000 0.526 95 V N -2.025 118.009 119.914 0.199 0.000 3.159 95 V HA 0.460 4.617 4.120 0.060 0.000 0.333 95 V C 0.166 176.353 176.094 0.154 0.000 1.424 95 V CA -0.696 61.714 62.300 0.184 0.000 1.125 95 V CB -0.419 31.468 31.823 0.107 0.000 1.075 95 V HN 0.250 nan 8.190 nan 0.000 0.482 96 S N 3.230 119.053 115.700 0.205 0.000 2.560 96 S HA 0.543 5.049 4.470 0.060 0.000 0.284 96 S C 0.199 174.754 174.600 -0.075 0.000 1.327 96 S CA -0.070 58.181 58.200 0.085 0.000 1.055 96 S CB 0.221 63.483 63.200 0.103 0.000 0.868 96 S HN 0.943 nan 8.310 nan 0.000 0.506 97 R N -0.416 120.058 120.500 -0.043 0.000 2.594 97 R HA 0.579 4.955 4.340 0.060 0.000 0.265 97 R C -1.795 174.479 176.300 -0.043 0.000 1.070 97 R CA -1.016 55.028 56.100 -0.092 0.000 0.909 97 R CB 0.565 30.835 30.300 -0.050 0.000 1.243 97 R HN 0.386 nan 8.270 nan 0.000 0.455 98 V N 0.813 120.661 119.914 -0.110 0.000 2.495 98 V HA 0.801 4.958 4.120 0.060 0.000 0.298 98 V C 0.101 176.129 176.094 -0.109 0.000 1.031 98 V CA -0.820 61.413 62.300 -0.112 0.000 0.871 98 V CB 1.220 32.953 31.823 -0.150 0.000 0.988 98 V HN 0.977 nan 8.190 nan 0.000 0.432 99 M N 1.316 120.863 119.600 -0.089 0.000 2.721 99 M HA 0.740 5.256 4.480 0.060 0.000 0.271 99 M C -1.118 175.110 176.300 -0.120 0.000 1.259 99 M CA -0.447 54.787 55.300 -0.110 0.000 0.835 99 M CB 2.212 34.747 32.600 -0.109 0.000 1.689 99 M HN 0.547 nan 8.290 nan 0.000 0.470 100 D N 0.410 120.737 120.400 -0.122 0.000 2.718 100 D HA -0.066 4.610 4.640 0.060 0.000 0.242 100 D C -0.215 176.038 176.300 -0.080 0.000 1.123 100 D CA 1.451 55.395 54.000 -0.094 0.000 0.690 100 D CB -1.267 39.456 40.800 -0.130 0.000 1.059 100 D HN 1.010 nan 8.370 nan 0.000 0.429 101 A N 0.394 123.174 122.820 -0.067 0.000 2.520 101 A HA 0.448 4.804 4.320 0.060 0.000 0.245 101 A C 0.827 178.419 177.584 0.013 0.000 1.072 101 A CA 0.550 52.560 52.037 -0.045 0.000 0.761 101 A CB 0.527 19.504 19.000 -0.039 0.000 1.004 101 A HN 0.163 nan 8.150 nan 0.000 0.499 102 T N 2.139 116.712 114.554 0.031 0.000 2.824 102 T HA 0.557 4.943 4.350 0.060 0.000 0.282 102 T C -0.573 174.308 174.700 0.301 0.000 0.993 102 T CA -0.385 61.801 62.100 0.144 0.000 0.967 102 T CB 1.388 70.311 68.868 0.092 0.000 0.960 102 T HN 0.499 nan 8.240 nan 0.000 0.441 103 V N 4.145 124.251 119.914 0.319 0.000 2.656 103 V HA 0.605 4.761 4.120 0.060 0.000 0.307 103 V C -0.573 175.683 176.094 0.270 0.000 1.051 103 V CA -0.852 61.638 62.300 0.317 0.000 0.893 103 V CB 1.870 33.829 31.823 0.228 0.000 0.999 103 V HN 0.808 nan 8.190 nan 0.000 0.426 104 I N 3.773 124.501 120.570 0.263 0.000 2.498 104 I HA 0.522 4.728 4.170 0.060 0.000 0.290 104 I C -0.764 175.503 176.117 0.251 0.000 1.032 104 I CA -0.925 60.469 61.300 0.158 0.000 1.073 104 I CB 2.327 40.311 38.000 -0.028 0.000 1.251 104 I HN 0.272 nan 8.210 nan 0.000 0.426 105 V N 6.039 126.060 119.914 0.178 0.000 2.394 105 V HA 0.426 4.582 4.120 0.060 0.000 0.282 105 V C -0.163 176.023 176.094 0.154 0.000 1.031 105 V CA -0.567 61.833 62.300 0.166 0.000 0.881 105 V CB 1.585 33.477 31.823 0.115 0.000 0.982 105 V HN 0.632 nan 8.190 nan 0.000 0.451 106 K N 3.487 124.002 120.400 0.191 0.000 2.637 106 K HA 0.587 4.943 4.320 0.060 0.000 0.248 106 K C 0.520 177.184 176.600 0.107 0.000 0.971 106 K CA 0.396 56.770 56.287 0.145 0.000 0.858 106 K CB 1.367 33.971 32.500 0.172 0.000 1.170 106 K HN 0.961 nan 8.250 nan 0.000 0.443 107 G N 3.607 112.441 108.800 0.056 0.000 2.561 107 G HA2 -0.389 3.607 3.960 0.060 0.000 0.289 107 G HA3 -0.389 3.607 3.960 0.060 0.000 0.289 107 G C 0.131 175.033 174.900 0.003 0.000 1.169 107 G CA 0.505 45.620 45.100 0.025 0.000 0.980 107 G HN 0.815 nan 8.290 nan 0.000 0.550 108 N N 1.042 119.727 118.700 -0.026 0.000 2.251 108 N HA 0.170 4.946 4.740 0.060 0.000 0.217 108 N C 0.036 175.477 175.510 -0.115 0.000 1.124 108 N CA 0.367 53.376 53.050 -0.069 0.000 0.843 108 N CB 0.429 38.865 38.487 -0.084 0.000 1.024 108 N HN 0.471 nan 8.380 nan 0.000 0.501 109 K N 0.829 121.176 120.400 -0.088 0.000 2.164 109 K HA 0.438 4.794 4.320 0.060 0.000 0.258 109 K C -0.571 175.937 176.600 -0.153 0.000 0.951 109 K CA -0.649 55.519 56.287 -0.198 0.000 0.844 109 K CB 2.243 34.590 32.500 -0.255 0.000 1.099 109 K HN 0.067 nan 8.250 nan 0.000 0.435 110 L N 2.846 123.924 121.223 -0.241 0.000 2.333 110 L HA 0.402 4.779 4.340 0.060 0.000 0.280 110 L C -0.898 175.914 176.870 -0.095 0.000 1.004 110 L CA -0.758 54.061 54.840 -0.034 0.000 0.820 110 L CB 0.842 42.953 42.059 0.085 0.000 1.247 110 L HN 0.421 nan 8.230 nan 0.000 0.416 111 Y N 4.173 124.598 120.300 0.209 0.000 2.342 111 Y HA 0.560 5.145 4.550 0.059 0.000 0.338 111 Y C -0.014 176.090 175.900 0.340 0.000 0.965 111 Y CA -0.448 57.820 58.100 0.280 0.000 1.159 111 Y CB 1.119 39.752 38.460 0.288 0.000 1.157 111 Y HN 0.349 nan 8.280 nan 0.000 0.486 112 I N 5.249 126.050 120.570 0.386 0.000 2.378 112 I HA 0.270 4.477 4.170 0.060 0.000 0.291 112 I C -1.112 175.075 176.117 0.117 0.000 0.992 112 I CA -1.008 60.445 61.300 0.255 0.000 1.154 112 I CB 1.795 39.881 38.000 0.143 0.000 1.315 112 I HN 0.364 nan 8.210 nan 0.000 0.448 113 L N 9.274 130.479 121.223 -0.028 0.000 2.296 113 L HA 0.702 5.078 4.340 0.060 0.000 0.286 113 L C -0.501 176.228 176.870 -0.236 0.000 1.023 113 L CA -0.352 54.325 54.840 -0.271 0.000 0.812 113 L CB 1.533 43.154 42.059 -0.730 0.000 1.223 113 L HN 0.422 nan 8.230 nan 0.000 0.421 114 V N 1.532 121.297 119.914 -0.248 0.000 3.040 114 V HA 0.954 5.110 4.120 0.060 0.000 0.312 114 V C 0.184 176.096 176.094 -0.304 0.000 1.115 114 V CA -0.392 61.769 62.300 -0.232 0.000 0.998 114 V CB 1.391 33.101 31.823 -0.189 0.000 1.042 114 V HN 0.907 nan 8.190 nan 0.000 0.433 115 G N 0.755 109.401 108.800 -0.257 0.000 2.339 115 G HA2 0.502 4.498 3.960 0.060 0.000 0.287 115 G HA3 0.502 4.498 3.960 0.060 0.000 0.287 115 G C -0.298 174.385 174.900 -0.363 0.000 1.163 115 G CA -0.046 44.868 45.100 -0.309 0.000 0.872 115 G HN 1.092 nan 8.290 nan 0.000 0.464 116 S N 1.442 116.749 115.700 -0.655 0.000 2.449 116 S HA 0.786 5.292 4.470 0.060 0.000 0.310 116 S C -1.000 173.189 174.600 -0.686 0.000 1.096 116 S CA -0.667 57.240 58.200 -0.488 0.000 1.095 116 S CB 0.321 63.283 63.200 -0.398 0.000 1.007 116 S HN 0.337 nan 8.310 nan 0.000 0.474 117 F N 3.312 123.231 119.950 -0.053 0.000 2.563 117 F HA 0.533 5.098 4.527 0.064 0.000 0.316 117 F C 1.136 176.928 175.800 -0.013 0.000 1.076 117 F CA -0.925 57.084 58.000 0.016 0.000 0.921 117 F CB 1.899 40.937 39.000 0.064 0.000 1.209 117 F HN 0.464 nan 8.300 nan 0.000 0.462 118 N N 1.033 119.837 118.700 0.172 0.000 2.428 118 N HA 0.012 4.788 4.740 0.060 0.000 0.181 118 N C 1.001 176.570 175.510 0.099 0.000 1.028 118 N CA 0.903 54.010 53.050 0.095 0.000 0.877 118 N CB 0.174 38.691 38.487 0.051 0.000 1.064 118 N HN 0.708 nan 8.380 nan 0.000 0.434 119 K N -0.412 120.044 120.400 0.092 0.000 2.585 119 K HA 0.128 4.484 4.320 0.060 0.000 0.210 119 K C -0.246 176.375 176.600 0.034 0.000 1.294 119 K CA -0.176 56.148 56.287 0.062 0.000 1.025 119 K CB 0.030 32.555 32.500 0.042 0.000 1.076 119 K HN -0.058 nan 8.250 nan 0.000 0.613 120 T N -0.028 114.533 114.554 0.012 0.000 2.930 120 T HA 0.258 4.644 4.350 0.060 0.000 0.306 120 T C 0.628 175.330 174.700 0.003 0.000 1.045 120 T CA -0.536 61.533 62.100 -0.053 0.000 1.134 120 T CB 1.771 70.488 68.868 -0.252 0.000 0.961 120 T HN 0.223 nan 8.240 nan 0.000 0.545 121 R N 1.080 121.601 120.500 0.035 0.000 2.365 121 R HA 0.171 4.547 4.340 0.060 0.000 0.223 121 R C 0.520 176.905 176.300 0.142 0.000 0.899 121 R CA -0.270 55.893 56.100 0.104 0.000 1.059 121 R CB 0.183 30.550 30.300 0.112 0.000 1.086 121 R HN 0.810 nan 8.270 nan 0.000 0.522 122 N N -1.033 117.737 118.700 0.115 0.000 2.483 122 N HA 0.085 4.861 4.740 0.060 0.000 0.285 122 N C -0.660 174.933 175.510 0.137 0.000 1.210 122 N CA -0.558 52.575 53.050 0.138 0.000 0.931 122 N CB 1.143 39.707 38.487 0.128 0.000 1.220 122 N HN -0.292 nan 8.380 nan 0.000 0.542 123 S N 0.183 115.905 115.700 0.036 0.000 2.564 123 S HA 0.067 4.574 4.470 0.060 0.000 0.278 123 S C 1.383 175.810 174.600 -0.289 0.000 1.333 123 S CA -0.830 57.322 58.200 -0.080 0.000 1.048 123 S CB -0.107 63.054 63.200 -0.066 0.000 0.900 123 S HN 0.679 nan 8.310 nan 0.000 0.505 124 W N 4.585 125.509 121.300 -0.625 0.000 2.321 124 W HA -0.189 4.502 4.660 0.051 0.000 0.306 124 W C 1.416 177.528 176.519 -0.678 0.000 1.217 124 W CA 2.131 58.895 57.345 -0.968 0.000 1.257 124 W CB -2.173 26.971 29.460 -0.527 0.000 1.145 124 W HN 0.787 nan 8.180 nan 0.000 0.509 125 T N -1.202 112.669 114.554 -1.138 0.000 3.007 125 T HA 0.030 4.416 4.350 0.060 0.000 0.270 125 T C 1.998 176.413 174.700 -0.475 0.000 1.107 125 T CA 2.201 63.718 62.100 -0.971 0.000 1.118 125 T CB -0.666 67.668 68.868 -0.890 0.000 0.889 125 T HN 0.405 nan 8.240 nan 0.000 0.506 126 Q N 0.160 119.752 119.800 -0.347 0.000 2.247 126 Q HA 0.256 4.632 4.340 0.060 0.000 0.211 126 Q C 0.390 176.405 176.000 0.025 0.000 0.861 126 Q CA -0.293 55.430 55.803 -0.134 0.000 0.949 126 Q CB -0.556 28.134 28.738 -0.081 0.000 1.115 126 Q HN 0.757 nan 8.270 nan 0.000 0.507 127 H N -0.251 118.787 119.070 -0.053 0.000 2.852 127 H HA 0.401 4.991 4.556 0.056 0.000 0.362 127 H C 1.880 177.209 175.328 0.002 0.000 1.122 127 H CA 0.586 56.638 56.048 0.007 0.000 1.419 127 H CB 0.890 30.693 29.762 0.069 0.000 1.401 127 H HN 0.475 nan 8.280 nan 0.000 0.609 128 R N 1.783 122.367 120.500 0.139 0.000 2.092 128 R HA -0.051 4.325 4.340 0.060 0.000 0.231 128 R C 0.425 176.774 176.300 0.082 0.000 1.119 128 R CA 2.122 58.268 56.100 0.076 0.000 0.970 128 R CB -0.851 29.479 30.300 0.049 0.000 0.864 128 R HN 0.907 nan 8.270 nan 0.000 0.440 129 D N -5.634 114.838 120.400 0.120 0.000 2.921 129 D HA 0.362 5.039 4.640 0.060 0.000 0.329 129 D C 0.584 177.001 176.300 0.194 0.000 1.293 129 D CA 0.074 54.149 54.000 0.125 0.000 0.964 129 D CB 0.366 41.226 40.800 0.100 0.000 1.435 129 D HN 0.012 nan 8.370 nan 0.000 0.548 130 G N -1.117 107.816 108.800 0.220 0.000 3.371 130 G HA2 0.180 4.176 3.960 0.060 0.000 0.248 130 G HA3 0.180 4.176 3.960 0.060 0.000 0.248 130 G C 0.890 176.024 174.900 0.391 0.000 1.161 130 G CA 0.449 45.753 45.100 0.340 0.000 0.796 130 G HN 0.492 nan 8.290 nan 0.000 0.539 131 S N -0.358 115.487 115.700 0.242 0.000 2.447 131 S HA -0.114 4.393 4.470 0.060 0.000 0.233 131 S C 1.515 176.205 174.600 0.150 0.000 1.006 131 S CA 1.305 59.607 58.200 0.170 0.000 0.957 131 S CB 0.044 63.306 63.200 0.104 0.000 0.773 131 S HN 0.244 nan 8.310 nan 0.000 0.507 132 D N -0.160 120.356 120.400 0.194 0.000 2.339 132 D HA 0.164 4.840 4.640 0.060 0.000 0.217 132 D C -0.176 176.253 176.300 0.215 0.000 1.050 132 D CA -0.168 53.938 54.000 0.178 0.000 0.856 132 D CB 0.157 41.045 40.800 0.147 0.000 0.922 132 D HN 0.676 nan 8.370 nan 0.000 0.518 133 W N 0.927 122.205 121.300 -0.038 0.000 2.689 133 W HA 0.535 5.209 4.660 0.024 0.000 0.340 133 W C -1.293 175.027 176.519 -0.332 0.000 1.060 133 W CA -0.623 56.518 57.345 -0.341 0.000 1.218 133 W CB 1.139 30.475 29.460 -0.207 0.000 1.410 133 W HN -0.309 nan 8.180 nan 0.000 0.528 134 E N 5.199 124.556 120.200 -1.405 0.000 2.331 134 E HA 0.290 4.676 4.350 0.060 0.000 0.275 134 E C -2.601 173.025 176.600 -1.624 0.000 0.895 134 E CA -2.200 53.248 56.400 -1.586 0.000 0.753 134 E CB 2.905 32.137 29.700 -0.780 0.000 1.216 134 E HN 0.118 nan 8.360 nan 0.000 0.434 135 P HA 0.282 nan 4.420 nan 0.000 0.297 135 P C -0.862 176.078 177.300 -0.599 0.000 1.331 135 P CA -0.310 62.224 63.100 -0.942 0.000 0.803 135 P CB 0.617 31.659 31.700 -1.096 0.000 0.929 136 L N 4.260 125.209 121.223 -0.457 0.000 2.313 136 L HA 0.505 4.881 4.340 0.060 0.000 0.283 136 L C 0.108 176.852 176.870 -0.210 0.000 1.013 136 L CA -1.141 53.520 54.840 -0.298 0.000 0.816 136 L CB 1.832 43.735 42.059 -0.260 0.000 1.236 136 L HN 0.248 nan 8.230 nan 0.000 0.419 137 L N 4.513 125.663 121.223 -0.121 0.000 2.307 137 L HA 0.685 5.061 4.340 0.060 0.000 0.284 137 L C -0.783 176.128 176.870 0.068 0.000 1.023 137 L CA -0.192 54.641 54.840 -0.012 0.000 0.810 137 L CB 1.792 43.880 42.059 0.049 0.000 1.231 137 L HN 0.293 nan 8.230 nan 0.000 0.423 138 V N 5.422 125.408 119.914 0.121 0.000 2.709 138 V HA 0.548 4.704 4.120 0.060 0.000 0.308 138 V C -0.739 175.484 176.094 0.214 0.000 1.062 138 V CA -0.697 61.693 62.300 0.150 0.000 0.901 138 V CB 2.243 34.133 31.823 0.112 0.000 1.003 138 V HN 0.512 nan 8.190 nan 0.000 0.425 139 V N 3.299 123.304 119.914 0.152 0.000 2.417 139 V HA 0.779 4.935 4.120 0.060 0.000 0.291 139 V C 0.632 176.696 176.094 -0.050 0.000 1.024 139 V CA -0.315 61.965 62.300 -0.033 0.000 0.861 139 V CB 1.637 33.369 31.823 -0.152 0.000 0.985 139 V HN 0.966 nan 8.190 nan 0.000 0.436 140 G N 2.875 111.523 108.800 -0.253 0.000 2.388 140 G HA2 0.650 4.646 3.960 0.060 0.000 0.330 140 G HA3 0.650 4.646 3.960 0.060 0.000 0.330 140 G C -0.987 173.535 174.900 -0.630 0.000 1.142 140 G CA -0.394 44.203 45.100 -0.838 0.000 0.908 140 G HN 0.713 nan 8.290 nan 0.000 0.473 141 E N 1.350 121.191 120.200 -0.599 0.000 2.176 141 E HA 0.470 4.856 4.350 0.060 0.000 0.267 141 E C -0.949 175.408 176.600 -0.405 0.000 0.893 141 E CA -0.620 55.541 56.400 -0.398 0.000 0.761 141 E CB 1.916 31.453 29.700 -0.272 0.000 1.133 141 E HN 0.215 nan 8.360 nan 0.000 0.409 142 V N 4.127 123.850 119.914 -0.319 0.000 2.407 142 V HA 0.328 4.484 4.120 0.060 0.000 0.278 142 V C -0.174 175.798 176.094 -0.203 0.000 1.037 142 V CA -0.332 61.794 62.300 -0.289 0.000 0.900 142 V CB 1.548 33.229 31.823 -0.237 0.000 0.983 142 V HN 0.744 nan 8.190 nan 0.000 0.459 143 T N 5.841 120.280 114.554 -0.192 0.000 2.809 143 T HA 0.416 4.802 4.350 0.060 0.000 0.284 143 T C -0.301 174.338 174.700 -0.102 0.000 0.992 143 T CA -0.715 61.308 62.100 -0.128 0.000 0.957 143 T CB 1.048 69.847 68.868 -0.115 0.000 0.942 143 T HN 0.530 nan 8.240 nan 0.000 0.439 144 K N 2.016 122.370 120.400 -0.076 0.000 2.110 144 K HA 0.700 5.056 4.320 0.060 0.000 0.263 144 K C 0.167 176.743 176.600 -0.041 0.000 0.975 144 K CA -0.646 55.609 56.287 -0.054 0.000 0.895 144 K CB 1.460 33.931 32.500 -0.047 0.000 1.060 144 K HN 0.716 nan 8.250 nan 0.000 0.448 145 S N -0.038 115.644 115.700 -0.030 0.000 2.704 145 S HA 0.816 5.322 4.470 0.060 0.000 0.296 145 S C -1.368 173.220 174.600 -0.020 0.000 1.138 145 S CA -0.928 57.258 58.200 -0.024 0.000 0.875 145 S CB 2.046 65.234 63.200 -0.019 0.000 1.151 145 S HN 0.597 nan 8.310 nan 0.000 0.500 146 A N 0.367 123.176 122.820 -0.017 0.000 2.446 146 A HA 0.835 5.191 4.320 0.060 0.000 0.282 146 A C -0.446 177.130 177.584 -0.013 0.000 1.102 146 A CA -0.371 51.657 52.037 -0.016 0.000 0.737 146 A CB 0.798 19.788 19.000 -0.016 0.000 1.212 146 A HN 1.707 nan 8.150 nan 0.000 0.434 147 A N 3.954 126.767 122.820 -0.012 0.000 2.291 147 A HA 0.602 4.959 4.320 0.060 0.000 0.311 147 A C 0.520 178.098 177.584 -0.010 0.000 1.224 147 A CA -0.283 51.748 52.037 -0.010 0.000 0.821 147 A CB -0.088 18.907 19.000 -0.008 0.000 1.172 147 A HN 1.850 nan 8.150 nan 0.000 0.494 148 N N 2.112 120.807 118.700 -0.009 0.000 2.726 148 N HA -0.268 4.508 4.740 0.060 0.000 0.287 148 N C 0.946 176.450 175.510 -0.010 0.000 1.052 148 N CA 0.989 54.034 53.050 -0.009 0.000 0.805 148 N CB -1.004 37.479 38.487 -0.007 0.000 0.944 148 N HN 2.160 nan 8.380 nan 0.000 0.574 149 G N -0.260 108.534 108.800 -0.011 0.000 2.320 149 G HA2 -0.363 3.633 3.960 0.060 0.000 0.242 149 G HA3 -0.363 3.633 3.960 0.060 0.000 0.242 149 G C 0.116 175.007 174.900 -0.014 0.000 1.033 149 G CA 0.845 45.938 45.100 -0.012 0.000 0.620 149 G HN 0.691 nan 8.290 nan 0.000 0.517 150 K N 1.708 122.099 120.400 -0.015 0.000 2.185 150 K HA 0.645 5.001 4.320 0.060 0.000 0.269 150 K C -0.123 176.467 176.600 -0.018 0.000 0.987 150 K CA 0.029 56.305 56.287 -0.018 0.000 0.865 150 K CB 1.301 33.791 32.500 -0.017 0.000 1.090 150 K HN 0.112 nan 8.250 nan 0.000 0.450 151 T N 2.407 116.947 114.554 -0.022 0.000 2.799 151 T HA 0.436 4.823 4.350 0.060 0.000 0.286 151 T C -0.201 174.488 174.700 -0.018 0.000 0.973 151 T CA -0.665 61.422 62.100 -0.022 0.000 1.035 151 T CB 0.989 69.841 68.868 -0.027 0.000 0.932 151 T HN 0.753 nan 8.240 nan 0.000 0.469 152 T N -0.531 114.019 114.554 -0.008 0.000 2.887 152 T HA 0.887 5.273 4.350 0.060 0.000 0.292 152 T C -0.908 173.804 174.700 0.021 0.000 1.087 152 T CA -1.042 61.066 62.100 0.012 0.000 1.009 152 T CB 1.965 70.844 68.868 0.018 0.000 1.203 152 T HN 0.768 nan 8.240 nan 0.000 0.518 153 A N 0.854 123.718 122.820 0.073 0.000 2.556 153 A HA 0.932 5.288 4.320 0.060 0.000 0.294 153 A C -0.123 177.476 177.584 0.025 0.000 1.091 153 A CA -0.768 51.282 52.037 0.021 0.000 0.704 153 A CB 1.520 20.515 19.000 -0.010 0.000 1.300 153 A HN 1.493 nan 8.150 nan 0.000 0.406 154 T N -1.199 113.278 114.554 -0.129 0.000 2.916 154 T HA 0.790 5.177 4.350 0.060 0.000 0.292 154 T C -0.700 173.769 174.700 -0.385 0.000 1.055 154 T CA -0.501 61.490 62.100 -0.180 0.000 1.009 154 T CB 1.164 69.984 68.868 -0.080 0.000 1.118 154 T HN 0.569 nan 8.240 nan 0.000 0.497 155 I N 2.359 122.667 120.570 -0.437 0.000 2.478 155 I HA 0.400 4.606 4.170 0.060 0.000 0.287 155 I C 0.044 175.863 176.117 -0.495 0.000 1.042 155 I CA -0.941 60.025 61.300 -0.556 0.000 1.067 155 I CB 2.224 39.822 38.000 -0.670 0.000 1.233 155 I HN 0.888 nan 8.210 nan 0.000 0.431 156 S N 4.030 119.416 115.700 -0.523 0.000 2.489 156 S HA 0.587 5.094 4.470 0.060 0.000 0.291 156 S C -1.350 172.927 174.600 -0.539 0.000 1.151 156 S CA -0.629 57.354 58.200 -0.362 0.000 1.082 156 S CB 0.795 63.872 63.200 -0.205 0.000 1.019 156 S HN 0.489 nan 8.310 nan 0.000 0.492 157 W N 1.529 122.805 121.300 -0.040 0.000 2.475 157 W HA 0.623 5.319 4.660 0.060 0.000 0.317 157 W C 0.833 177.333 176.519 -0.032 0.000 1.046 157 W CA -0.661 56.662 57.345 -0.037 0.000 1.215 157 W CB 1.527 30.975 29.460 -0.020 0.000 1.335 157 W HN 1.066 nan 8.180 nan 0.000 0.471 158 G N 1.985 110.892 108.800 0.179 0.000 2.621 158 G HA2 0.291 4.287 3.960 0.060 0.000 0.271 158 G HA3 0.291 4.287 3.960 0.060 0.000 0.271 158 G C -0.799 174.166 174.900 0.108 0.000 1.236 158 G CA -0.743 44.418 45.100 0.102 0.000 0.958 158 G HN 0.319 nan 8.290 nan 0.000 0.512 159 K N 0.618 121.056 120.400 0.064 0.000 2.368 159 K HA 0.329 4.686 4.320 0.060 0.000 0.282 159 K C -2.127 174.494 176.600 0.036 0.000 1.035 159 K CA -1.164 55.148 56.287 0.041 0.000 0.973 159 K CB 0.508 33.023 32.500 0.025 0.000 0.957 159 K HN 0.090 nan 8.250 nan 0.000 0.474 160 P HA 0.012 nan 4.420 nan 0.000 0.266 160 P C -1.171 176.117 177.300 -0.019 0.000 1.195 160 P CA -0.316 62.776 63.100 -0.014 0.000 0.768 160 P CB 0.713 32.376 31.700 -0.062 0.000 0.838 161 V N 2.232 122.137 119.914 -0.014 0.000 2.487 161 V HA 0.298 4.454 4.120 0.060 0.000 0.298 161 V C 0.259 176.316 176.094 -0.063 0.000 1.028 161 V CA -0.571 61.724 62.300 -0.010 0.000 0.860 161 V CB 1.823 33.678 31.823 0.053 0.000 0.991 161 V HN 0.547 nan 8.190 nan 0.000 0.427 162 S N 4.280 119.924 115.700 -0.092 0.000 2.528 162 S HA 0.403 4.909 4.470 0.060 0.000 0.277 162 S C 0.693 175.232 174.600 -0.102 0.000 1.297 162 S CA -0.503 57.596 58.200 -0.167 0.000 1.052 162 S CB 0.371 63.450 63.200 -0.203 0.000 0.917 162 S HN 0.616 nan 8.310 nan 0.000 0.492 163 L N 4.959 126.102 121.223 -0.133 0.000 2.611 163 L HA 0.218 4.594 4.340 0.060 0.000 0.229 163 L C 2.208 179.141 176.870 0.104 0.000 1.137 163 L CA 0.003 54.854 54.840 0.019 0.000 0.901 163 L CB -0.294 41.792 42.059 0.045 0.000 1.098 163 L HN 0.698 nan 8.230 nan 0.000 0.456 164 K N 1.549 121.905 120.400 -0.073 0.000 2.063 164 K HA -0.150 4.206 4.320 0.060 0.000 0.208 164 K C -0.549 176.167 176.600 0.193 0.000 1.048 164 K CA 1.408 57.697 56.287 0.003 0.000 0.928 164 K CB -0.490 31.875 32.500 -0.226 0.000 0.713 164 K HN 0.191 nan 8.250 nan 0.000 0.442 165 P HA -0.117 nan 4.420 nan 0.000 0.225 165 P C 0.499 177.918 177.300 0.200 0.000 1.148 165 P CA 1.047 64.233 63.100 0.144 0.000 0.779 165 P CB 0.080 31.838 31.700 0.097 0.000 0.780 166 L N -3.441 117.952 121.223 0.283 0.000 2.607 166 L HA 0.186 4.563 4.340 0.060 0.000 0.228 166 L C 0.749 177.896 176.870 0.461 0.000 1.123 166 L CA -0.360 54.686 54.840 0.344 0.000 0.890 166 L CB -0.366 41.926 42.059 0.388 0.000 1.103 166 L HN -0.086 nan 8.230 nan 0.000 0.468 167 F N 3.724 123.824 119.950 0.249 0.000 2.444 167 F HA 0.422 4.972 4.527 0.039 0.000 0.360 167 F C -1.961 173.781 175.800 -0.097 0.000 1.106 167 F CA -3.604 54.442 58.000 0.078 0.000 1.170 167 F CB 0.236 39.454 39.000 0.363 0.000 1.113 167 F HN -0.185 nan 8.300 nan 0.000 0.521 168 P HA 0.157 nan 4.420 nan 0.000 0.269 168 P C -0.225 176.550 177.300 -0.876 0.000 1.209 168 P CA 0.079 62.781 63.100 -0.663 0.000 0.776 168 P CB 0.846 32.016 31.700 -0.883 0.000 0.876 169 A N 0.506 123.007 122.820 -0.531 0.000 2.123 169 A HA 0.354 4.710 4.320 0.060 0.000 0.214 169 A C 0.957 178.275 177.584 -0.443 0.000 1.152 169 A CA 1.520 53.308 52.037 -0.416 0.000 0.728 169 A CB -0.659 18.215 19.000 -0.209 0.000 0.814 169 A HN 0.654 nan 8.150 nan 0.000 0.464 170 E N -1.312 118.555 120.200 -0.555 0.000 2.392 170 E HA 0.670 5.056 4.350 0.060 0.000 0.279 170 E C -1.392 174.841 176.600 -0.612 0.000 0.964 170 E CA -0.771 55.369 56.400 -0.433 0.000 0.777 170 E CB 0.811 30.380 29.700 -0.218 0.000 1.249 170 E HN 0.335 nan 8.360 nan 0.000 0.449 171 F N 0.785 120.679 119.950 -0.092 0.000 2.532 171 F HA 0.401 4.973 4.527 0.075 0.000 0.321 171 F C 0.173 175.926 175.800 -0.077 0.000 1.089 171 F CA -1.071 56.886 58.000 -0.072 0.000 0.926 171 F CB 2.353 41.337 39.000 -0.026 0.000 1.168 171 F HN 0.569 nan 8.300 nan 0.000 0.459 172 D N 2.784 123.262 120.400 0.129 0.000 6.610 172 D HA 0.014 4.691 4.640 0.060 0.000 0.176 172 D C 0.952 177.259 176.300 0.012 0.000 1.245 172 D CA 2.208 56.230 54.000 0.036 0.000 0.811 172 D CB -0.448 40.353 40.800 0.002 0.000 1.423 172 D HN 0.888 nan 8.370 nan 0.000 0.787 173 G N 1.278 110.079 108.800 0.002 0.000 3.329 173 G HA2 -0.359 3.637 3.960 0.060 0.000 0.220 173 G HA3 -0.359 3.637 3.960 0.060 0.000 0.220 173 G C 0.651 175.549 174.900 -0.003 0.000 1.358 173 G CA -0.109 44.987 45.100 -0.006 0.000 0.856 173 G HN 0.561 nan 8.290 nan 0.000 0.551 174 I N 2.780 123.364 120.570 0.023 0.000 2.996 174 I HA 0.077 4.283 4.170 0.060 0.000 0.310 174 I C 0.753 176.884 176.117 0.023 0.000 1.225 174 I CA 0.424 61.755 61.300 0.050 0.000 1.442 174 I CB 0.193 38.257 38.000 0.106 0.000 1.334 174 I HN 0.198 nan 8.210 nan 0.000 0.550 175 L N 7.101 128.326 121.223 0.003 0.000 2.276 175 L HA 0.295 4.671 4.340 0.060 0.000 0.286 175 L C 0.796 177.661 176.870 -0.008 0.000 1.061 175 L CA -0.547 54.270 54.840 -0.038 0.000 0.807 175 L CB 0.842 42.882 42.059 -0.033 0.000 1.177 175 L HN 0.648 nan 8.230 nan 0.000 0.429 176 T N -0.967 113.528 114.554 -0.099 0.000 2.899 176 T HA 0.307 4.693 4.350 0.060 0.000 0.284 176 T C 0.412 175.142 174.700 0.050 0.000 1.004 176 T CA -0.599 61.478 62.100 -0.038 0.000 1.043 176 T CB 2.572 71.170 68.868 -0.450 0.000 1.013 176 T HN 0.717 nan 8.240 nan 0.000 0.518 177 K N 0.228 120.731 120.400 0.172 0.000 2.431 177 K HA 0.293 4.650 4.320 0.060 0.000 0.213 177 K C 0.085 176.718 176.600 0.055 0.000 1.258 177 K CA -0.081 56.279 56.287 0.121 0.000 0.845 177 K CB 0.819 33.336 32.500 0.029 0.000 1.498 177 K HN 0.828 nan 8.250 nan 0.000 0.451 178 E N -0.717 119.402 120.200 -0.134 0.000 2.433 178 E HA 0.320 4.706 4.350 0.060 0.000 0.278 178 E C -1.615 174.701 176.600 -0.472 0.000 0.976 178 E CA -0.960 54.827 56.400 -1.023 0.000 0.793 178 E CB 2.212 31.274 29.700 -1.064 0.000 1.311 178 E HN 0.157 nan 8.360 nan 0.000 0.460 179 F N -1.130 118.267 119.950 -0.922 0.000 2.613 179 F HA 0.832 5.389 4.527 0.049 0.000 0.310 179 F C -1.680 174.015 175.800 -0.174 0.000 1.085 179 F CA -0.800 57.031 58.000 -0.281 0.000 0.945 179 F CB 1.013 39.872 39.000 -0.236 0.000 1.298 179 F HN 0.230 nan 8.300 nan 0.000 0.455 180 V N 1.297 121.105 119.914 -0.176 0.000 3.130 180 V HA 0.800 4.956 4.120 0.060 0.000 0.310 180 V C 0.481 176.545 176.094 -0.050 0.000 1.158 180 V CA -0.569 61.546 62.300 -0.308 0.000 1.029 180 V CB 1.844 33.319 31.823 -0.579 0.000 1.057 180 V HN 1.233 nan 8.190 nan 0.000 0.436 181 G N 0.485 109.209 108.800 -0.127 0.000 2.667 181 G HA2 0.389 4.385 3.960 0.060 0.000 0.250 181 G HA3 0.389 4.385 3.960 0.060 0.000 0.250 181 G C 1.074 175.975 174.900 0.002 0.000 1.212 181 G CA 0.245 45.304 45.100 -0.068 0.000 0.874 181 G HN 1.205 nan 8.290 nan 0.000 0.561 182 G N -1.943 106.906 108.800 0.081 0.000 2.679 182 G HA2 0.296 4.292 3.960 0.060 0.000 0.212 182 G HA3 0.296 4.292 3.960 0.060 0.000 0.212 182 G C 0.338 175.281 174.900 0.072 0.000 1.137 182 G CA 0.857 46.017 45.100 0.099 0.000 0.787 182 G HN 1.517 nan 8.290 nan 0.000 0.534 183 V N -1.551 118.400 119.914 0.063 0.000 3.313 183 V HA 0.273 4.429 4.120 0.060 0.000 0.477 183 V C 0.704 176.849 176.094 0.085 0.000 0.682 183 V CA 0.314 62.651 62.300 0.062 0.000 2.019 183 V CB -1.191 30.672 31.823 0.066 0.000 2.473 183 V HN 2.094 nan 8.190 nan 0.000 0.500 184 G N 2.445 111.304 108.800 0.099 0.000 2.548 184 G HA2 0.428 4.424 3.960 0.060 0.000 0.208 184 G HA3 0.428 4.424 3.960 0.060 0.000 0.208 184 G C -0.005 174.984 174.900 0.147 0.000 1.308 184 G CA 0.022 45.188 45.100 0.111 0.000 0.924 184 G HN 2.579 nan 8.290 nan 0.000 0.540 185 A N -0.108 122.800 122.820 0.147 0.000 2.354 185 A HA 0.916 5.272 4.320 0.060 0.000 0.281 185 A C 0.829 178.508 177.584 0.160 0.000 1.174 185 A CA 1.376 53.508 52.037 0.158 0.000 0.828 185 A CB 0.310 19.397 19.000 0.146 0.000 1.099 185 A HN 2.473 nan 8.150 nan 0.000 0.516 186 A N 2.584 125.501 122.820 0.163 0.000 2.806 186 A HA 0.913 5.269 4.320 0.060 0.000 0.254 186 A C 0.133 177.757 177.584 0.067 0.000 1.437 186 A CA -0.127 51.987 52.037 0.128 0.000 0.903 186 A CB 0.346 19.435 19.000 0.149 0.000 1.609 186 A HN 1.614 nan 8.150 nan 0.000 0.505 187 I N -3.304 117.276 120.570 0.016 0.000 3.074 187 I HA 0.735 4.941 4.170 0.060 0.000 0.310 187 I C -1.415 174.683 176.117 -0.031 0.000 1.153 187 I CA -1.102 60.204 61.300 0.010 0.000 0.993 187 I CB 2.063 40.078 38.000 0.025 0.000 1.237 187 I HN 0.257 nan 8.210 nan 0.000 0.443 188 V N 3.472 123.377 119.914 -0.015 0.000 2.394 188 V HA 0.664 4.820 4.120 0.060 0.000 0.282 188 V C 0.878 176.960 176.094 -0.021 0.000 1.031 188 V CA -0.289 61.991 62.300 -0.033 0.000 0.881 188 V CB 1.015 32.826 31.823 -0.020 0.000 0.982 188 V HN 0.951 nan 8.190 nan 0.000 0.451 189 A N 3.793 126.594 122.820 -0.032 0.000 2.327 189 A HA 0.404 4.760 4.320 0.060 0.000 0.255 189 A C 1.621 179.187 177.584 -0.029 0.000 1.099 189 A CA 0.389 52.408 52.037 -0.031 0.000 0.801 189 A CB 0.250 19.222 19.000 -0.047 0.000 1.062 189 A HN 1.199 nan 8.150 nan 0.000 0.496 190 S N 0.270 115.952 115.700 -0.030 0.000 2.442 190 S HA -0.179 4.327 4.470 0.060 0.000 0.236 190 S C 1.092 175.674 174.600 -0.030 0.000 1.007 190 S CA 1.340 59.523 58.200 -0.028 0.000 0.965 190 S CB -0.602 62.578 63.200 -0.033 0.000 0.773 190 S HN 0.915 nan 8.310 nan 0.000 0.504 191 N N 1.273 119.952 118.700 -0.036 0.000 2.461 191 N HA 0.223 5.000 4.740 0.060 0.000 0.188 191 N C 1.275 176.764 175.510 -0.035 0.000 1.134 191 N CA 0.774 53.804 53.050 -0.034 0.000 0.878 191 N CB -0.528 37.936 38.487 -0.037 0.000 0.972 191 N HN 0.642 nan 8.380 nan 0.000 0.456 192 G N -0.593 108.185 108.800 -0.037 0.000 2.195 192 G HA2 -0.289 3.707 3.960 0.060 0.000 0.246 192 G HA3 -0.289 3.707 3.960 0.060 0.000 0.246 192 G C -0.294 174.566 174.900 -0.066 0.000 0.984 192 G CA -0.106 44.967 45.100 -0.045 0.000 0.633 192 G HN 0.475 nan 8.290 nan 0.000 0.525 193 N N 0.770 119.436 118.700 -0.058 0.000 2.492 193 N HA 0.405 5.182 4.740 0.060 0.000 0.260 193 N C 0.745 176.201 175.510 -0.089 0.000 1.215 193 N CA 0.102 53.116 53.050 -0.060 0.000 0.923 193 N CB 0.491 38.975 38.487 -0.006 0.000 1.092 193 N HN 0.398 nan 8.380 nan 0.000 0.448 194 L N 1.534 122.660 121.223 -0.161 0.000 2.319 194 L HA 0.286 4.662 4.340 0.060 0.000 0.280 194 L C -0.245 176.618 176.870 -0.013 0.000 1.099 194 L CA -0.574 54.156 54.840 -0.182 0.000 0.828 194 L CB 0.470 42.327 42.059 -0.338 0.000 1.150 194 L HN 0.089 nan 8.230 nan 0.000 0.442 195 V N 4.410 124.303 119.914 -0.035 0.000 2.349 195 V HA 0.325 4.481 4.120 0.060 0.000 0.284 195 V C -0.636 175.488 176.094 0.051 0.000 1.014 195 V CA -0.532 61.816 62.300 0.079 0.000 0.826 195 V CB 1.015 32.866 31.823 0.048 0.000 1.009 195 V HN 0.446 nan 8.190 nan 0.000 0.431 196 Y N 6.521 126.953 120.300 0.219 0.000 2.330 196 Y HA 0.484 5.071 4.550 0.063 0.000 0.336 196 Y C -2.030 173.953 175.900 0.138 0.000 1.036 196 Y CA -2.621 55.564 58.100 0.142 0.000 1.125 196 Y CB 2.561 41.055 38.460 0.058 0.000 1.194 196 Y HN 0.421 nan 8.280 nan 0.000 0.469 197 P HA 0.173 nan 4.420 nan 0.000 0.285 197 P C -1.097 176.348 177.300 0.240 0.000 1.259 197 P CA -0.209 63.051 63.100 0.267 0.000 0.794 197 P CB 1.698 33.536 31.700 0.232 0.000 0.940 198 V N 1.175 121.223 119.914 0.223 0.000 2.864 198 V HA 0.655 4.811 4.120 0.060 0.000 0.314 198 V C -0.486 175.712 176.094 0.174 0.000 1.073 198 V CA -1.086 61.335 62.300 0.202 0.000 0.956 198 V CB 1.781 33.734 31.823 0.216 0.000 1.023 198 V HN 0.597 nan 8.190 nan 0.000 0.435 199 Q N 2.734 122.641 119.800 0.179 0.000 2.316 199 Q HA 0.802 5.178 4.340 0.060 0.000 0.264 199 Q C -1.316 174.818 176.000 0.224 0.000 0.987 199 Q CA -0.707 55.199 55.803 0.171 0.000 0.852 199 Q CB 2.471 31.361 28.738 0.255 0.000 1.287 199 Q HN 0.778 nan 8.270 nan 0.000 0.448 200 I N 1.691 122.220 120.570 -0.069 0.000 2.509 200 I HA 0.625 4.831 4.170 0.060 0.000 0.293 200 I C -0.671 175.348 176.117 -0.164 0.000 1.020 200 I CA -1.070 60.163 61.300 -0.110 0.000 1.088 200 I CB 2.136 39.802 38.000 -0.556 0.000 1.267 200 I HN 0.820 nan 8.210 nan 0.000 0.430 201 A N 4.489 127.298 122.820 -0.019 0.000 2.292 201 A HA 0.605 4.961 4.320 0.060 0.000 0.319 201 A C -0.700 176.919 177.584 0.058 0.000 1.206 201 A CA -0.624 51.315 52.037 -0.164 0.000 0.835 201 A CB 0.641 19.301 19.000 -0.566 0.000 1.164 201 A HN 0.754 nan 8.150 nan 0.000 0.505 202 D N 1.923 122.403 120.400 0.133 0.000 2.466 202 D HA 0.214 4.891 4.640 0.060 0.000 0.262 202 D C 1.192 177.501 176.300 0.016 0.000 1.177 202 D CA -0.646 53.442 54.000 0.147 0.000 1.035 202 D CB 0.276 41.192 40.800 0.194 0.000 1.105 202 D HN 0.260 nan 8.370 nan 0.000 0.551 203 M N 0.067 119.673 119.600 0.011 0.000 2.144 203 M HA -0.034 4.483 4.480 0.060 0.000 0.260 203 M C 2.007 178.281 176.300 -0.043 0.000 1.067 203 M CA 1.865 57.157 55.300 -0.012 0.000 1.095 203 M CB -1.444 31.151 32.600 -0.007 0.000 1.365 203 M HN 0.735 nan 8.290 nan 0.000 0.406 204 G N -1.443 107.317 108.800 -0.066 0.000 2.650 204 G HA2 0.209 4.205 3.960 0.060 0.000 0.214 204 G HA3 0.209 4.205 3.960 0.060 0.000 0.214 204 G C 1.176 176.008 174.900 -0.112 0.000 1.136 204 G CA 0.857 45.904 45.100 -0.089 0.000 0.789 204 G HN 0.683 nan 8.290 nan 0.000 0.536 205 G N -0.713 108.010 108.800 -0.130 0.000 2.184 205 G HA2 -0.218 3.778 3.960 0.060 0.000 0.206 205 G HA3 -0.218 3.778 3.960 0.060 0.000 0.206 205 G C 0.480 175.276 174.900 -0.173 0.000 0.995 205 G CA -0.194 44.797 45.100 -0.182 0.000 0.651 205 G HN 0.587 nan 8.290 nan 0.000 0.511 206 R N -0.153 120.262 120.500 -0.142 0.000 2.594 206 R HA 0.520 4.897 4.340 0.060 0.000 0.272 206 R C -0.111 176.245 176.300 0.093 0.000 1.074 206 R CA 0.124 56.163 56.100 -0.101 0.000 1.105 206 R CB 1.778 31.840 30.300 -0.396 0.000 1.008 206 R HN 0.240 nan 8.270 nan 0.000 0.472 207 V N 4.832 124.861 119.914 0.192 0.000 2.628 207 V HA 0.751 4.907 4.120 0.060 0.000 0.306 207 V C -1.136 175.238 176.094 0.467 0.000 1.045 207 V CA -0.496 61.927 62.300 0.205 0.000 0.905 207 V CB 1.205 33.050 31.823 0.037 0.000 0.997 207 V HN 0.718 nan 8.190 nan 0.000 0.436 208 F N 2.173 122.230 119.950 0.180 0.000 2.745 208 F HA 0.893 5.454 4.527 0.056 0.000 0.316 208 F C -0.444 175.395 175.800 0.065 0.000 1.155 208 F CA -0.432 57.615 58.000 0.079 0.000 0.937 208 F CB 1.679 40.635 39.000 -0.073 0.000 1.361 208 F HN 0.581 nan 8.300 nan 0.000 0.472 209 T N -1.095 113.504 114.554 0.076 0.000 2.924 209 T HA 0.788 5.174 4.350 0.060 0.000 0.291 209 T C -1.139 173.548 174.700 -0.023 0.000 1.045 209 T CA -0.822 61.312 62.100 0.056 0.000 1.015 209 T CB 2.376 71.394 68.868 0.252 0.000 1.103 209 T HN 0.878 nan 8.240 nan 0.000 0.496 210 K N 0.572 121.052 120.400 0.134 0.000 2.555 210 K HA 0.519 4.875 4.320 0.060 0.000 0.279 210 K C -1.242 175.603 176.600 0.408 0.000 0.986 210 K CA -1.024 55.370 56.287 0.178 0.000 0.880 210 K CB 2.077 34.594 32.500 0.028 0.000 1.474 210 K HN 0.467 nan 8.250 nan 0.000 0.433 211 I N 2.250 123.107 120.570 0.478 0.000 2.353 211 I HA 0.329 4.535 4.170 0.060 0.000 0.293 211 I C -0.168 176.124 176.117 0.292 0.000 0.992 211 I CA -0.292 61.232 61.300 0.374 0.000 1.268 211 I CB 1.237 39.454 38.000 0.362 0.000 1.387 211 I HN 0.608 nan 8.210 nan 0.000 0.478 212 M N 8.994 128.708 119.600 0.190 0.000 2.125 212 M HA 0.394 4.910 4.480 0.060 0.000 0.321 212 M C -1.700 174.816 176.300 0.360 0.000 0.983 212 M CA -0.587 54.693 55.300 -0.035 0.000 0.934 212 M CB 1.297 33.601 32.600 -0.493 0.000 1.542 212 M HN 0.514 nan 8.290 nan 0.000 0.424 213 Y N 1.594 122.036 120.300 0.238 0.000 2.605 213 Y HA 0.849 5.437 4.550 0.063 0.000 0.343 213 Y C -1.288 174.617 175.900 0.008 0.000 1.036 213 Y CA -1.228 57.002 58.100 0.218 0.000 1.065 213 Y CB 1.520 40.026 38.460 0.076 0.000 1.288 213 Y HN 0.541 nan 8.280 nan 0.000 0.481 214 S N 0.320 115.869 115.700 -0.252 0.000 2.538 214 S HA 0.387 4.893 4.470 0.060 0.000 0.288 214 S C -0.518 173.898 174.600 -0.305 0.000 1.108 214 S CA -0.657 57.142 58.200 -0.668 0.000 0.971 214 S CB 1.377 63.647 63.200 -1.549 0.000 1.041 214 S HN 0.853 nan 8.310 nan 0.000 0.483 215 E N 1.587 121.651 120.200 -0.228 0.000 2.474 215 E HA 0.091 4.477 4.350 0.060 0.000 0.195 215 E C -0.596 175.914 176.600 -0.150 0.000 1.039 215 E CA 0.153 56.488 56.400 -0.108 0.000 0.881 215 E CB 0.265 29.950 29.700 -0.026 0.000 0.970 215 E HN 0.711 nan 8.360 nan 0.000 0.486 216 D N -0.581 119.679 120.400 -0.234 0.000 2.908 216 D HA 0.057 4.733 4.640 0.060 0.000 0.361 216 D C -0.615 175.565 176.300 -0.200 0.000 1.416 216 D CA -0.491 53.403 54.000 -0.177 0.000 0.796 216 D CB -0.063 40.652 40.800 -0.142 0.000 1.185 216 D HN -0.212 nan 8.370 nan 0.000 0.451 217 D N 0.379 120.628 120.400 -0.252 0.000 2.837 217 D HA -0.137 4.539 4.640 0.060 0.000 0.230 217 D C 1.270 177.432 176.300 -0.230 0.000 1.152 217 D CA 1.588 55.450 54.000 -0.230 0.000 0.736 217 D CB -1.370 39.404 40.800 -0.045 0.000 1.084 217 D HN 0.782 nan 8.370 nan 0.000 0.429 218 G N -0.294 108.220 108.800 -0.477 0.000 2.157 218 G HA2 -0.408 3.588 3.960 0.060 0.000 0.239 218 G HA3 -0.408 3.588 3.960 0.060 0.000 0.239 218 G C 0.860 175.672 174.900 -0.146 0.000 0.982 218 G CA 0.681 45.546 45.100 -0.393 0.000 0.650 218 G HN 0.481 nan 8.290 nan 0.000 0.527 219 N N 0.355 118.946 118.700 -0.182 0.000 2.142 219 N HA 0.088 4.864 4.740 0.060 0.000 0.186 219 N C 1.373 176.837 175.510 -0.077 0.000 1.023 219 N CA 2.167 55.180 53.050 -0.061 0.000 0.852 219 N CB 0.118 38.570 38.487 -0.057 0.000 0.998 219 N HN 0.826 nan 8.380 nan 0.000 0.424 220 T N -3.747 110.653 114.554 -0.258 0.000 2.906 220 T HA 0.606 4.992 4.350 0.060 0.000 0.295 220 T C -1.280 173.127 174.700 -0.489 0.000 1.075 220 T CA -0.855 61.134 62.100 -0.186 0.000 1.005 220 T CB 1.352 70.156 68.868 -0.106 0.000 1.136 220 T HN 0.108 nan 8.240 nan 0.000 0.498 221 W N 0.634 121.893 121.300 -0.069 0.000 3.032 221 W HA 0.641 5.337 4.660 0.061 0.000 0.335 221 W C -0.624 175.763 176.519 -0.221 0.000 1.154 221 W CA -0.844 56.401 57.345 -0.167 0.000 1.204 221 W CB 2.169 31.554 29.460 -0.123 0.000 1.416 221 W HN 0.574 nan 8.180 nan 0.000 0.521 222 K N 2.291 122.571 120.400 -0.201 0.000 2.371 222 K HA 0.549 4.905 4.320 0.060 0.000 0.251 222 K C -1.461 175.013 176.600 -0.211 0.000 0.934 222 K CA -1.080 55.075 56.287 -0.219 0.000 0.798 222 K CB 2.144 34.327 32.500 -0.529 0.000 1.204 222 K HN 0.261 nan 8.250 nan 0.000 0.427 223 F N 1.454 121.470 119.950 0.110 0.000 2.391 223 F HA 0.317 4.884 4.527 0.066 0.000 0.359 223 F C 0.984 176.915 175.800 0.218 0.000 1.122 223 F CA -0.456 57.656 58.000 0.185 0.000 1.120 223 F CB 1.251 40.417 39.000 0.277 0.000 1.142 223 F HN 0.619 nan 8.300 nan 0.000 0.483 224 A N 3.302 126.374 122.820 0.419 0.000 2.406 224 A HA 0.187 4.543 4.320 0.060 0.000 0.243 224 A C 1.247 178.963 177.584 0.221 0.000 1.082 224 A CA -0.303 51.970 52.037 0.394 0.000 0.786 224 A CB 0.309 19.562 19.000 0.422 0.000 1.029 224 A HN 0.907 nan 8.150 nan 0.000 0.495 225 E N 0.952 121.252 120.200 0.167 0.000 2.208 225 E HA 0.006 4.392 4.350 0.060 0.000 0.193 225 E C 1.239 177.780 176.600 -0.098 0.000 0.988 225 E CA 0.521 56.955 56.400 0.056 0.000 0.828 225 E CB -0.065 29.681 29.700 0.076 0.000 0.763 225 E HN 0.795 nan 8.360 nan 0.000 0.478 226 G N 1.396 110.129 108.800 -0.112 0.000 2.569 226 G HA2 0.293 4.289 3.960 0.060 0.000 0.249 226 G HA3 0.293 4.289 3.960 0.060 0.000 0.249 226 G C -0.164 174.068 174.900 -1.115 0.000 1.216 226 G CA -0.398 44.388 45.100 -0.524 0.000 0.845 226 G HN 0.153 nan 8.290 nan 0.000 0.568 227 R N -1.300 118.321 120.500 -1.465 0.000 2.752 227 R HA 0.648 5.024 4.340 0.060 0.000 0.271 227 R C -0.148 175.269 176.300 -1.471 0.000 1.026 227 R CA -0.619 54.584 56.100 -1.495 0.000 0.901 227 R CB 0.793 30.677 30.300 -0.693 0.000 1.243 227 R HN 0.676 nan 8.270 nan 0.000 0.463 228 S N 0.319 115.377 115.700 -1.070 0.000 2.655 228 S HA 0.300 4.806 4.470 0.060 0.000 0.265 228 S C -0.042 174.323 174.600 -0.392 0.000 1.240 228 S CA -0.865 56.946 58.200 -0.649 0.000 0.986 228 S CB 0.697 63.832 63.200 -0.108 0.000 0.985 228 S HN 0.561 nan 8.310 nan 0.000 0.562 229 K N 0.001 120.334 120.400 -0.111 0.000 2.397 229 K HA 0.132 4.489 4.320 0.060 0.000 0.265 229 K C -0.435 176.098 176.600 -0.111 0.000 0.982 229 K CA 0.221 56.434 56.287 -0.125 0.000 0.931 229 K CB 0.042 32.596 32.500 0.090 0.000 0.943 229 K HN 0.523 nan 8.250 nan 0.000 0.501 230 F N -0.133 119.841 119.950 0.039 0.000 2.506 230 F HA 0.089 4.651 4.527 0.058 0.000 0.351 230 F C 1.702 177.557 175.800 0.092 0.000 1.136 230 F CA 1.302 59.348 58.000 0.076 0.000 1.298 230 F CB 0.630 39.643 39.000 0.022 0.000 1.145 230 F HN 0.832 nan 8.300 nan 0.000 0.593 231 G N 0.499 109.489 108.800 0.317 0.000 2.179 231 G HA2 -0.242 3.754 3.960 0.060 0.000 0.220 231 G HA3 -0.242 3.754 3.960 0.060 0.000 0.220 231 G C -0.442 174.564 174.900 0.177 0.000 0.990 231 G CA -0.425 44.794 45.100 0.198 0.000 0.646 231 G HN 0.749 nan 8.290 nan 0.000 0.517 232 C N 1.916 121.339 119.300 0.205 0.000 2.350 232 C HA 0.896 5.392 4.460 0.060 0.000 0.348 232 C C 0.935 176.040 174.990 0.191 0.000 1.260 232 C CA 0.359 59.493 59.018 0.194 0.000 1.966 232 C CB 0.895 28.773 27.740 0.230 0.000 2.380 232 C HN 1.080 nan 8.230 nan 0.000 0.535 233 S N 0.529 116.336 115.700 0.178 0.000 2.794 233 S HA 0.573 5.079 4.470 0.060 0.000 0.299 233 S C -0.790 173.907 174.600 0.162 0.000 1.179 233 S CA -0.665 57.648 58.200 0.189 0.000 0.838 233 S CB 0.463 63.786 63.200 0.206 0.000 1.206 233 S HN 0.752 nan 8.310 nan 0.000 0.523 234 E N 1.595 121.888 120.200 0.154 0.000 2.106 234 E HA -0.134 4.253 4.350 0.060 0.000 0.175 234 E C -2.272 174.389 176.600 0.101 0.000 1.448 234 E CA 0.457 56.917 56.400 0.100 0.000 0.672 234 E CB -1.190 28.532 29.700 0.037 0.000 1.057 234 E HN 0.466 nan 8.360 nan 0.000 0.321 235 P HA 0.207 nan 4.420 nan 0.000 0.279 235 P C -0.846 176.548 177.300 0.157 0.000 1.239 235 P CA -0.148 63.049 63.100 0.161 0.000 0.789 235 P CB 1.495 33.324 31.700 0.215 0.000 0.933 236 A N 2.885 125.804 122.820 0.165 0.000 2.350 236 A HA 0.628 4.984 4.320 0.060 0.000 0.324 236 A C -0.921 176.850 177.584 0.312 0.000 1.118 236 A CA -0.819 51.357 52.037 0.231 0.000 0.783 236 A CB 1.541 20.697 19.000 0.260 0.000 1.236 236 A HN 0.429 nan 8.150 nan 0.000 0.457 237 V N 3.593 123.676 119.914 0.281 0.000 2.735 237 V HA 0.806 4.962 4.120 0.060 0.000 0.310 237 V C -1.223 174.966 176.094 0.158 0.000 1.061 237 V CA -0.505 61.935 62.300 0.234 0.000 0.913 237 V CB 1.665 33.570 31.823 0.137 0.000 1.005 237 V HN 1.233 nan 8.190 nan 0.000 0.428 238 L N 2.902 124.173 121.223 0.080 0.000 2.322 238 L HA 0.784 5.160 4.340 0.060 0.000 0.252 238 L C -0.660 176.226 176.870 0.028 0.000 1.055 238 L CA -0.679 54.148 54.840 -0.022 0.000 0.849 238 L CB 1.704 43.622 42.059 -0.235 0.000 1.446 238 L HN 0.672 nan 8.230 nan 0.000 0.416 239 E N 0.585 120.814 120.200 0.048 0.000 2.166 239 E HA 0.364 4.750 4.350 0.060 0.000 0.275 239 E C -2.048 174.659 176.600 0.177 0.000 0.941 239 E CA -0.696 55.751 56.400 0.078 0.000 0.784 239 E CB 1.436 31.154 29.700 0.029 0.000 1.115 239 E HN 0.681 nan 8.360 nan 0.000 0.399 240 W N 5.580 126.854 121.300 -0.043 0.000 2.756 240 W HA 0.201 4.897 4.660 0.060 0.000 0.333 240 W C -0.955 175.551 176.519 -0.021 0.000 1.025 240 W CA -0.523 56.804 57.345 -0.030 0.000 1.246 240 W CB 1.004 30.450 29.460 -0.024 0.000 1.358 240 W HN 0.801 nan 8.180 nan 0.000 0.444 241 E N 3.405 123.346 120.200 -0.431 0.000 2.269 241 E HA -0.230 4.157 4.350 0.060 0.000 0.223 241 E C 1.044 177.578 176.600 -0.109 0.000 1.244 241 E CA 1.190 57.394 56.400 -0.328 0.000 0.713 241 E CB -1.264 28.202 29.700 -0.390 0.000 1.178 241 E HN 0.982 nan 8.360 nan 0.000 0.370 242 G N -0.147 108.607 108.800 -0.077 0.000 2.179 242 G HA2 -0.357 3.639 3.960 0.060 0.000 0.260 242 G HA3 -0.357 3.639 3.960 0.060 0.000 0.260 242 G C 0.102 174.997 174.900 -0.008 0.000 0.977 242 G CA 0.853 45.930 45.100 -0.039 0.000 0.641 242 G HN 0.305 nan 8.290 nan 0.000 0.533 243 K N -0.328 120.091 120.400 0.031 0.000 2.318 243 K HA 0.706 5.062 4.320 0.060 0.000 0.249 243 K C 0.171 176.793 176.600 0.036 0.000 0.942 243 K CA -1.004 55.302 56.287 0.033 0.000 0.808 243 K CB 2.005 34.544 32.500 0.065 0.000 1.189 243 K HN 0.097 nan 8.250 nan 0.000 0.428 244 L N 3.394 124.604 121.223 -0.022 0.000 2.380 244 L HA 0.352 4.729 4.340 0.060 0.000 0.273 244 L C -0.152 176.700 176.870 -0.031 0.000 1.138 244 L CA -0.321 54.498 54.840 -0.035 0.000 0.832 244 L CB 0.280 42.273 42.059 -0.110 0.000 1.124 244 L HN 0.410 nan 8.230 nan 0.000 0.454 245 I N 4.648 125.247 120.570 0.048 0.000 2.362 245 I HA 0.335 4.541 4.170 0.060 0.000 0.289 245 I C -0.554 175.667 176.117 0.174 0.000 0.994 245 I CA -0.478 60.889 61.300 0.113 0.000 1.158 245 I CB 1.789 39.919 38.000 0.216 0.000 1.315 245 I HN 0.424 nan 8.210 nan 0.000 0.451 246 I N 6.382 126.976 120.570 0.041 0.000 2.355 246 I HA 0.275 4.481 4.170 0.060 0.000 0.288 246 I C 0.049 176.208 176.117 0.069 0.000 0.999 246 I CA -0.209 61.115 61.300 0.040 0.000 1.163 246 I CB 1.073 38.955 38.000 -0.196 0.000 1.316 246 I HN 0.459 nan 8.210 nan 0.000 0.454 247 N N 6.642 125.351 118.700 0.015 0.000 2.444 247 N HA 0.318 5.094 4.740 0.060 0.000 0.262 247 N C -1.263 174.238 175.510 -0.015 0.000 0.974 247 N CA -0.354 52.585 53.050 -0.185 0.000 0.933 247 N CB 1.014 39.029 38.487 -0.787 0.000 1.137 247 N HN 0.529 nan 8.380 nan 0.000 0.498 248 N N 2.117 120.841 118.700 0.040 0.000 2.405 248 N HA 0.195 4.971 4.740 0.060 0.000 0.299 248 N C -0.142 175.424 175.510 0.093 0.000 1.075 248 N CA -0.493 52.624 53.050 0.112 0.000 0.884 248 N CB 2.232 40.834 38.487 0.193 0.000 1.194 248 N HN 0.437 nan 8.380 nan 0.000 0.491 249 R N 1.186 121.750 120.500 0.107 0.000 2.537 249 R HA 0.208 4.584 4.340 0.060 0.000 0.280 249 R C -1.047 175.323 176.300 0.117 0.000 1.058 249 R CA 0.067 56.235 56.100 0.113 0.000 1.057 249 R CB 0.380 30.736 30.300 0.094 0.000 0.973 249 R HN 0.270 nan 8.270 nan 0.000 0.438 250 V N 5.209 125.189 119.914 0.109 0.000 2.439 250 V HA 0.105 4.261 4.120 0.060 0.000 0.277 250 V C -0.899 175.256 176.094 0.101 0.000 1.008 250 V CA -0.943 61.415 62.300 0.097 0.000 0.846 250 V CB 1.399 33.256 31.823 0.057 0.000 1.031 250 V HN 0.829 nan 8.190 nan 0.000 0.441 251 D N 3.575 124.040 120.400 0.109 0.000 2.458 251 D HA 0.347 5.023 4.640 0.060 0.000 0.243 251 D C 1.348 177.702 176.300 0.090 0.000 1.146 251 D CA 1.700 55.764 54.000 0.108 0.000 0.877 251 D CB 1.529 42.393 40.800 0.106 0.000 1.176 251 D HN 0.945 nan 8.370 nan 0.000 0.461 252 G N 2.409 111.261 108.800 0.088 0.000 2.162 252 G HA2 -0.319 3.678 3.960 0.060 0.000 0.260 252 G HA3 -0.319 3.678 3.960 0.060 0.000 0.260 252 G C 0.449 175.386 174.900 0.062 0.000 0.976 252 G CA 0.546 45.689 45.100 0.072 0.000 0.655 252 G HN 0.661 nan 8.290 nan 0.000 0.533 253 N N -1.907 116.829 118.700 0.060 0.000 2.934 253 N HA 0.515 5.292 4.740 0.060 0.000 0.253 253 N C -0.024 175.505 175.510 0.032 0.000 1.466 253 N CA -1.158 51.923 53.050 0.051 0.000 0.858 253 N CB 0.961 39.483 38.487 0.059 0.000 1.459 253 N HN 0.194 nan 8.380 nan 0.000 0.532 254 R N 0.930 121.446 120.500 0.026 0.000 2.694 254 R HA 0.238 4.614 4.340 0.060 0.000 0.268 254 R C -0.210 176.016 176.300 -0.122 0.000 1.061 254 R CA -0.029 56.056 56.100 -0.025 0.000 1.133 254 R CB 0.409 30.731 30.300 0.037 0.000 1.020 254 R HN 0.384 nan 8.270 nan 0.000 0.475 255 R N 1.798 122.223 120.500 -0.124 0.000 2.401 255 R HA 0.118 4.495 4.340 0.060 0.000 0.299 255 R C -0.185 175.943 176.300 -0.286 0.000 1.064 255 R CA -0.109 55.914 56.100 -0.129 0.000 1.000 255 R CB 0.305 30.576 30.300 -0.048 0.000 0.973 255 R HN 0.318 nan 8.270 nan 0.000 0.438 256 L N 3.444 124.518 121.223 -0.249 0.000 2.326 256 L HA 0.362 4.738 4.340 0.060 0.000 0.278 256 L C -0.267 176.451 176.870 -0.253 0.000 1.092 256 L CA -0.656 53.974 54.840 -0.351 0.000 0.810 256 L CB 1.377 43.314 42.059 -0.203 0.000 1.153 256 L HN 0.300 nan 8.230 nan 0.000 0.439 257 V N 3.097 122.784 119.914 -0.378 0.000 2.656 257 V HA 0.461 4.617 4.120 0.060 0.000 0.307 257 V C -0.931 174.941 176.094 -0.370 0.000 1.051 257 V CA -0.660 61.493 62.300 -0.245 0.000 0.893 257 V CB 1.811 33.515 31.823 -0.199 0.000 0.999 257 V HN 0.430 nan 8.190 nan 0.000 0.426 258 Y N 1.587 121.852 120.300 -0.057 0.000 2.598 258 Y HA 0.666 5.254 4.550 0.062 0.000 0.340 258 Y C 0.237 176.043 175.900 -0.157 0.000 1.038 258 Y CA -0.905 57.154 58.100 -0.069 0.000 1.100 258 Y CB 1.993 40.441 38.460 -0.020 0.000 1.281 258 Y HN 0.565 nan 8.280 nan 0.000 0.488 259 E N 0.318 120.543 120.200 0.041 0.000 2.288 259 E HA 0.594 4.981 4.350 0.060 0.000 0.268 259 E C -1.415 175.129 176.600 -0.094 0.000 0.885 259 E CA -0.965 55.410 56.400 -0.041 0.000 0.767 259 E CB 2.385 32.094 29.700 0.014 0.000 1.220 259 E HN 0.366 nan 8.360 nan 0.000 0.427 260 S N 0.660 116.269 115.700 -0.152 0.000 2.614 260 S HA 0.274 4.780 4.470 0.060 0.000 0.288 260 S C -0.252 174.315 174.600 -0.054 0.000 1.137 260 S CA -0.562 57.568 58.200 -0.117 0.000 0.992 260 S CB 1.365 64.411 63.200 -0.256 0.000 1.026 260 S HN 0.385 nan 8.310 nan 0.000 0.486 261 S N 2.392 118.087 115.700 -0.009 0.000 2.556 261 S HA 0.107 4.613 4.470 0.060 0.000 0.216 261 S C -0.054 174.537 174.600 -0.014 0.000 0.970 261 S CA -0.056 58.141 58.200 -0.006 0.000 0.912 261 S CB -0.082 63.125 63.200 0.012 0.000 0.790 261 S HN 0.859 nan 8.310 nan 0.000 0.504 262 D N -0.115 120.279 120.400 -0.011 0.000 2.957 262 D HA 0.326 5.002 4.640 0.060 0.000 0.352 262 D C 0.250 176.520 176.300 -0.049 0.000 1.352 262 D CA -0.685 53.306 54.000 -0.015 0.000 0.831 262 D CB -0.137 40.676 40.800 0.022 0.000 1.147 262 D HN -0.076 nan 8.370 nan 0.000 0.467 263 M N 1.092 120.626 119.600 -0.111 0.000 2.393 263 M HA -0.138 4.378 4.480 0.060 0.000 0.201 263 M C 1.034 177.246 176.300 -0.147 0.000 0.403 263 M CA 0.999 56.157 55.300 -0.237 0.000 0.471 263 M CB -1.646 30.686 32.600 -0.446 0.000 1.669 263 M HN 1.012 nan 8.290 nan 0.000 0.864 264 G N -0.748 108.057 108.800 0.008 0.000 2.176 264 G HA2 -0.400 3.596 3.960 0.060 0.000 0.253 264 G HA3 -0.400 3.596 3.960 0.060 0.000 0.253 264 G C 0.646 175.777 174.900 0.385 0.000 0.979 264 G CA 0.860 46.120 45.100 0.267 0.000 0.641 264 G HN 0.739 nan 8.290 nan 0.000 0.530 265 K N 0.042 120.569 120.400 0.211 0.000 2.057 265 K HA 0.030 4.386 4.320 0.060 0.000 0.207 265 K C 0.447 177.169 176.600 0.204 0.000 1.049 265 K CA 1.723 58.120 56.287 0.185 0.000 0.931 265 K CB -0.041 32.532 32.500 0.121 0.000 0.714 265 K HN 0.389 nan 8.250 nan 0.000 0.440 266 T N 0.530 115.232 114.554 0.247 0.000 2.812 266 T HA 0.303 4.689 4.350 0.060 0.000 0.282 266 T C -1.531 173.415 174.700 0.409 0.000 0.990 266 T CA -0.631 61.618 62.100 0.249 0.000 0.960 266 T CB 0.891 69.845 68.868 0.144 0.000 0.948 266 T HN 0.121 nan 8.240 nan 0.000 0.438 267 W N 2.191 123.492 121.300 0.002 0.000 2.573 267 W HA 0.684 5.381 4.660 0.062 0.000 0.326 267 W C -0.865 175.721 176.519 0.112 0.000 1.049 267 W CA -1.005 56.359 57.345 0.033 0.000 1.220 267 W CB 1.142 30.535 29.460 -0.112 0.000 1.373 267 W HN 0.301 nan 8.180 nan 0.000 0.507 268 V N 2.270 122.398 119.914 0.358 0.000 2.531 268 V HA 0.225 4.381 4.120 0.060 0.000 0.301 268 V C -0.022 176.222 176.094 0.250 0.000 1.034 268 V CA -1.462 60.992 62.300 0.257 0.000 0.865 268 V CB 1.583 33.486 31.823 0.133 0.000 0.995 268 V HN 0.505 nan 8.190 nan 0.000 0.424 269 E N 3.042 123.335 120.200 0.155 0.000 2.384 269 E HA 0.364 4.750 4.350 0.060 0.000 0.266 269 E C 0.455 176.944 176.600 -0.186 0.000 1.012 269 E CA -0.201 56.089 56.400 -0.183 0.000 0.901 269 E CB 1.130 30.681 29.700 -0.249 0.000 0.967 269 E HN 0.886 nan 8.360 nan 0.000 0.435 270 A N 6.272 128.956 122.820 -0.227 0.000 3.077 270 A HA 0.120 4.477 4.320 0.060 0.000 0.255 270 A C 1.036 178.498 177.584 -0.203 0.000 1.728 270 A CA -0.157 51.777 52.037 -0.170 0.000 1.383 270 A CB -0.550 18.372 19.000 -0.130 0.000 1.097 270 A HN 0.787 nan 8.150 nan 0.000 0.634 271 L N -0.077 120.952 121.223 -0.323 0.000 2.191 271 L HA -0.111 4.265 4.340 0.060 0.000 0.212 271 L C 2.438 179.179 176.870 -0.214 0.000 1.103 271 L CA 1.319 55.922 54.840 -0.394 0.000 0.769 271 L CB -0.143 41.386 42.059 -0.884 0.000 0.908 271 L HN 0.634 nan 8.230 nan 0.000 0.438 272 G N -1.535 107.185 108.800 -0.133 0.000 2.985 272 G HA2 0.005 4.001 3.960 0.060 0.000 0.209 272 G HA3 0.005 4.001 3.960 0.060 0.000 0.209 272 G C 1.174 176.109 174.900 0.059 0.000 1.165 272 G CA 0.952 46.137 45.100 0.140 0.000 0.776 272 G HN 0.454 nan 8.290 nan 0.000 0.541 273 T N -2.624 111.921 114.554 -0.015 0.000 3.451 273 T HA 0.213 4.599 4.350 0.060 0.000 0.201 273 T C 1.756 176.395 174.700 -0.102 0.000 0.965 273 T CA -0.126 61.933 62.100 -0.068 0.000 1.088 273 T CB 0.056 68.859 68.868 -0.108 0.000 1.251 273 T HN -0.028 nan 8.240 nan 0.000 0.325 274 L N 1.086 122.222 121.223 -0.144 0.000 2.672 274 L HA 0.438 4.814 4.340 0.060 0.000 0.236 274 L C 1.146 177.869 176.870 -0.245 0.000 1.092 274 L CA -0.193 54.510 54.840 -0.228 0.000 0.887 274 L CB 0.513 42.497 42.059 -0.125 0.000 1.168 274 L HN 0.284 nan 8.230 nan 0.000 0.502 275 S N -0.551 115.038 115.700 -0.185 0.000 2.549 275 S HA 0.074 4.580 4.470 0.060 0.000 0.283 275 S C 0.641 175.197 174.600 -0.074 0.000 1.320 275 S CA 0.203 58.290 58.200 -0.189 0.000 1.058 275 S CB -0.161 62.929 63.200 -0.184 0.000 0.882 275 S HN 0.577 nan 8.310 nan 0.000 0.498 276 H N 0.598 119.535 119.070 -0.221 0.000 3.415 276 H HA -0.163 4.429 4.556 0.061 0.000 0.213 276 H C 0.985 176.140 175.328 -0.288 0.000 1.091 276 H CA 0.903 56.829 56.048 -0.204 0.000 1.182 276 H CB -2.197 27.464 29.762 -0.169 0.000 1.160 276 H HN 0.311 nan 8.280 nan 0.000 0.319 277 V N -0.964 118.741 119.914 -0.349 0.000 2.307 277 V HA -0.168 3.988 4.120 0.060 0.000 0.245 277 V C 1.470 177.151 176.094 -0.687 0.000 1.045 277 V CA 1.804 63.713 62.300 -0.651 0.000 1.024 277 V CB -0.117 31.005 31.823 -1.168 0.000 0.651 277 V HN 0.352 nan 8.190 nan 0.000 0.449 278 W N -0.990 120.052 121.300 -0.431 0.000 2.509 278 W HA 0.623 5.319 4.660 0.060 0.000 0.351 278 W C 0.284 176.600 176.519 -0.339 0.000 1.107 278 W CA -0.092 56.967 57.345 -0.476 0.000 1.264 278 W CB 1.197 30.270 29.460 -0.645 0.000 1.312 278 W HN -0.023 nan 8.180 nan 0.000 0.608 279 T N -0.264 114.229 114.554 -0.101 0.000 2.671 279 T HA 0.118 4.505 4.350 0.060 0.000 0.300 279 T C 0.700 175.306 174.700 -0.157 0.000 1.238 279 T CA -0.538 61.500 62.100 -0.102 0.000 1.020 279 T CB 0.755 69.589 68.868 -0.057 0.000 1.503 279 T HN 0.513 nan 8.240 nan 0.000 0.497 280 N N 0.426 119.121 118.700 -0.007 0.000 2.373 280 N HA 0.159 4.936 4.740 0.060 0.000 0.181 280 N C 0.223 175.811 175.510 0.129 0.000 1.082 280 N CA 0.156 53.273 53.050 0.113 0.000 0.885 280 N CB 0.387 38.959 38.487 0.142 0.000 0.977 280 N HN 0.680 nan 8.380 nan 0.000 0.462 281 S N -1.367 114.375 115.700 0.071 0.000 2.656 281 S HA 0.245 4.751 4.470 0.060 0.000 0.265 281 S C -2.832 171.791 174.600 0.037 0.000 1.110 281 S CA -0.823 57.419 58.200 0.069 0.000 0.821 281 S CB 1.598 64.837 63.200 0.065 0.000 1.099 281 S HN -0.296 nan 8.310 nan 0.000 0.471 282 P HA -0.051 nan 4.420 nan 0.000 0.218 282 P C 1.393 178.697 177.300 0.007 0.000 1.148 282 P CA 2.300 65.409 63.100 0.014 0.000 0.822 282 P CB -0.239 31.468 31.700 0.012 0.000 0.784 283 T N -6.695 107.867 114.554 0.014 0.000 3.086 283 T HA 0.193 4.579 4.350 0.060 0.000 0.250 283 T C 1.039 175.748 174.700 0.016 0.000 1.074 283 T CA 0.321 62.428 62.100 0.011 0.000 0.988 283 T CB -0.688 68.188 68.868 0.014 0.000 0.988 283 T HN -0.104 nan 8.240 nan 0.000 0.530 284 S N 1.911 117.624 115.700 0.022 0.000 3.127 284 S HA -0.185 4.321 4.470 0.060 0.000 0.281 284 S C 0.866 175.490 174.600 0.040 0.000 1.293 284 S CA 1.076 59.292 58.200 0.027 0.000 1.156 284 S CB -1.855 61.355 63.200 0.018 0.000 1.389 284 S HN 0.941 nan 8.310 nan 0.000 0.672 285 N N 0.512 119.237 118.700 0.042 0.000 2.273 285 N HA 0.111 4.887 4.740 0.060 0.000 0.231 285 N C -0.085 175.462 175.510 0.061 0.000 1.134 285 N CA -0.281 52.797 53.050 0.048 0.000 0.856 285 N CB 0.258 38.768 38.487 0.038 0.000 1.068 285 N HN 0.358 nan 8.380 nan 0.000 0.510 286 Q N 0.234 120.079 119.800 0.074 0.000 2.306 286 Q HA 0.198 4.574 4.340 0.060 0.000 0.269 286 Q C -0.372 175.698 176.000 0.117 0.000 1.053 286 Q CA -0.645 55.214 55.803 0.093 0.000 0.879 286 Q CB 1.517 30.309 28.738 0.090 0.000 1.344 286 Q HN 0.383 nan 8.270 nan 0.000 0.464 287 Q N 1.172 121.057 119.800 0.142 0.000 2.304 287 Q HA -0.095 4.282 4.340 0.060 0.000 0.301 287 Q C -0.541 175.567 176.000 0.179 0.000 1.063 287 Q CA 0.454 56.357 55.803 0.166 0.000 0.947 287 Q CB 0.572 29.438 28.738 0.214 0.000 1.201 287 Q HN 0.412 nan 8.270 nan 0.000 0.389 288 D N 1.504 122.010 120.400 0.177 0.000 2.511 288 D HA 0.425 5.102 4.640 0.060 0.000 0.276 288 D C -1.282 175.127 176.300 0.181 0.000 1.220 288 D CA -0.588 53.536 54.000 0.207 0.000 1.077 288 D CB 1.260 42.176 40.800 0.193 0.000 1.126 288 D HN 0.599 nan 8.370 nan 0.000 0.583 289 C N 0.610 119.977 119.300 0.111 0.000 3.086 289 C HA 0.372 4.869 4.460 0.060 0.000 0.311 289 C C -0.665 174.145 174.990 -0.300 0.000 1.260 289 C CA -0.680 58.290 59.018 -0.080 0.000 1.426 289 C CB 1.417 29.029 27.740 -0.212 0.000 1.826 289 C HN 0.599 nan 8.230 nan 0.000 0.474 290 Q N 2.525 121.922 119.800 -0.672 0.000 2.432 290 Q HA 0.361 4.737 4.340 0.060 0.000 0.264 290 Q C -0.731 174.943 176.000 -0.543 0.000 1.035 290 Q CA 1.005 56.375 55.803 -0.723 0.000 0.908 290 Q CB 1.009 28.897 28.738 -1.416 0.000 1.280 290 Q HN 0.848 nan 8.270 nan 0.000 0.455 291 S N 1.418 116.905 115.700 -0.356 0.000 2.548 291 S HA 0.379 4.885 4.470 0.060 0.000 0.286 291 S C -0.995 173.468 174.600 -0.229 0.000 1.098 291 S CA -0.666 57.293 58.200 -0.403 0.000 0.930 291 S CB 1.692 64.565 63.200 -0.544 0.000 1.070 291 S HN 0.721 nan 8.310 nan 0.000 0.480 292 S N 1.485 117.059 115.700 -0.209 0.000 2.586 292 S HA 0.778 5.284 4.470 0.060 0.000 0.274 292 S C -0.947 173.727 174.600 0.125 0.000 1.281 292 S CA -0.407 57.788 58.200 -0.009 0.000 1.035 292 S CB 0.494 63.710 63.200 0.027 0.000 0.962 292 S HN 0.563 nan 8.310 nan 0.000 0.512 293 F N 2.573 122.547 119.950 0.041 0.000 3.051 293 F HA 0.590 5.153 4.527 0.060 0.000 0.363 293 F C -1.218 174.654 175.800 0.119 0.000 1.257 293 F CA -0.930 57.142 58.000 0.121 0.000 1.126 293 F CB 1.298 40.397 39.000 0.164 0.000 1.476 293 F HN 0.690 nan 8.300 nan 0.000 0.576 294 V N 5.202 125.113 119.914 -0.005 0.000 2.841 294 V HA 0.916 5.072 4.120 0.060 0.000 0.310 294 V C -1.109 174.959 176.094 -0.044 0.000 1.090 294 V CA -0.321 61.969 62.300 -0.016 0.000 0.930 294 V CB 1.846 33.726 31.823 0.094 0.000 1.014 294 V HN 1.015 nan 8.190 nan 0.000 0.425 295 A N 5.765 128.576 122.820 -0.014 0.000 2.309 295 A HA 0.880 5.236 4.320 0.060 0.000 0.298 295 A C -0.372 177.290 177.584 0.130 0.000 1.165 295 A CA 0.139 52.224 52.037 0.080 0.000 0.821 295 A CB 1.165 20.245 19.000 0.134 0.000 1.102 295 A HN 1.973 nan 8.150 nan 0.000 0.500 296 V N -0.650 119.359 119.914 0.159 0.000 3.181 296 V HA 0.872 5.028 4.120 0.060 0.000 0.308 296 V C -0.404 175.789 176.094 0.166 0.000 1.214 296 V CA -0.606 61.800 62.300 0.177 0.000 1.053 296 V CB 1.622 33.536 31.823 0.152 0.000 1.069 296 V HN 0.714 nan 8.190 nan 0.000 0.441 297 T N 3.025 117.694 114.554 0.192 0.000 2.791 297 T HA 0.720 5.106 4.350 0.060 0.000 0.288 297 T C -0.521 174.270 174.700 0.152 0.000 0.999 297 T CA 0.002 62.197 62.100 0.157 0.000 0.952 297 T CB 0.586 69.540 68.868 0.144 0.000 0.938 297 T HN 0.636 nan 8.240 nan 0.000 0.444 298 I N 2.678 123.286 120.570 0.063 0.000 2.436 298 I HA 0.320 4.526 4.170 0.060 0.000 0.289 298 I C 0.386 176.522 176.117 0.033 0.000 1.010 298 I CA -0.691 60.605 61.300 -0.007 0.000 1.098 298 I CB 1.853 39.762 38.000 -0.152 0.000 1.266 298 I HN 0.614 nan 8.210 nan 0.000 0.434 299 E N 4.471 124.703 120.200 0.053 0.000 2.440 299 E HA -0.238 4.148 4.350 0.060 0.000 0.246 299 E C 0.901 177.535 176.600 0.057 0.000 1.165 299 E CA 1.151 57.575 56.400 0.041 0.000 0.726 299 E CB -1.159 28.543 29.700 0.003 0.000 1.271 299 E HN 1.113 nan 8.360 nan 0.000 0.397 300 G N -0.730 108.113 108.800 0.072 0.000 2.184 300 G HA2 -0.411 3.585 3.960 0.060 0.000 0.264 300 G HA3 -0.411 3.585 3.960 0.060 0.000 0.264 300 G C 0.239 175.184 174.900 0.076 0.000 0.975 300 G CA 0.633 45.774 45.100 0.068 0.000 0.642 300 G HN 0.487 nan 8.290 nan 0.000 0.536 301 K N 0.027 120.485 120.400 0.096 0.000 2.292 301 K HA 0.641 4.997 4.320 0.060 0.000 0.257 301 K C 0.182 176.873 176.600 0.153 0.000 0.940 301 K CA -1.167 55.197 56.287 0.129 0.000 0.811 301 K CB 0.904 33.515 32.500 0.184 0.000 1.120 301 K HN 0.068 nan 8.250 nan 0.000 0.428 302 R N 2.672 123.256 120.500 0.140 0.000 2.401 302 R HA 0.189 4.566 4.340 0.060 0.000 0.299 302 R C -0.743 175.824 176.300 0.445 0.000 1.064 302 R CA -0.072 56.140 56.100 0.187 0.000 1.000 302 R CB 0.430 30.709 30.300 -0.036 0.000 0.973 302 R HN 0.462 nan 8.270 nan 0.000 0.438 303 V N 1.116 121.296 119.914 0.443 0.000 3.181 303 V HA 0.636 4.792 4.120 0.060 0.000 0.308 303 V C -0.503 175.767 176.094 0.292 0.000 1.214 303 V CA -1.231 61.326 62.300 0.429 0.000 1.053 303 V CB 2.404 34.422 31.823 0.324 0.000 1.069 303 V HN 0.666 nan 8.190 nan 0.000 0.441 304 M N 2.412 122.085 119.600 0.122 0.000 2.436 304 M HA 0.648 5.164 4.480 0.060 0.000 0.331 304 M C -1.130 175.272 176.300 0.170 0.000 1.135 304 M CA -0.410 54.907 55.300 0.027 0.000 0.987 304 M CB 1.957 34.448 32.600 -0.182 0.000 1.687 304 M HN 0.534 nan 8.290 nan 0.000 0.445 305 L N 2.654 123.976 121.223 0.166 0.000 2.329 305 L HA 0.665 5.041 4.340 0.060 0.000 0.279 305 L C -1.292 175.803 176.870 0.375 0.000 1.014 305 L CA -0.598 54.398 54.840 0.260 0.000 0.814 305 L CB 1.638 43.800 42.059 0.173 0.000 1.257 305 L HN 0.593 nan 8.230 nan 0.000 0.424 306 F N 2.009 122.093 119.950 0.223 0.000 2.561 306 F HA 0.595 5.157 4.527 0.060 0.000 0.313 306 F C -0.230 175.660 175.800 0.151 0.000 1.126 306 F CA -0.344 57.715 58.000 0.098 0.000 0.918 306 F CB 2.021 40.816 39.000 -0.341 0.000 1.199 306 F HN 0.470 nan 8.300 nan 0.000 0.444 307 T N 2.821 117.015 114.554 -0.599 0.000 2.885 307 T HA 0.569 4.955 4.350 0.060 0.000 0.285 307 T C -1.402 172.961 174.700 -0.561 0.000 1.019 307 T CA -0.557 61.340 62.100 -0.338 0.000 1.010 307 T CB 1.734 70.498 68.868 -0.173 0.000 1.022 307 T HN 0.829 nan 8.240 nan 0.000 0.466 308 H N 1.301 120.280 119.070 -0.152 0.000 3.121 308 H HA 0.358 4.950 4.556 0.060 0.000 0.337 308 H C -3.302 172.114 175.328 0.147 0.000 1.198 308 H CA -1.251 54.745 56.048 -0.086 0.000 1.274 308 H CB 2.379 32.104 29.762 -0.062 0.000 1.954 308 H HN 0.423 nan 8.280 nan 0.000 0.531 309 P HA 0.128 nan 4.420 nan 0.000 0.272 309 P C 1.161 178.718 177.300 0.427 0.000 1.223 309 P CA -0.223 63.028 63.100 0.252 0.000 0.784 309 P CB 1.160 32.930 31.700 0.117 0.000 0.923 310 L N 1.092 122.484 121.223 0.281 0.000 2.240 310 L HA -0.059 4.317 4.340 0.060 0.000 0.211 310 L C 0.669 177.637 176.870 0.163 0.000 1.106 310 L CA 0.765 55.729 54.840 0.206 0.000 0.793 310 L CB -0.720 41.403 42.059 0.107 0.000 0.927 310 L HN 0.528 nan 8.230 nan 0.000 0.446 311 N N 0.019 118.805 118.700 0.144 0.000 2.738 311 N HA -0.211 4.565 4.740 0.060 0.000 0.249 311 N C 0.652 176.198 175.510 0.061 0.000 1.047 311 N CA 0.312 53.422 53.050 0.102 0.000 0.707 311 N CB -1.213 37.358 38.487 0.140 0.000 0.937 311 N HN 0.263 nan 8.380 nan 0.000 0.545 312 L N -0.416 120.835 121.223 0.047 0.000 2.265 312 L HA -0.143 4.233 4.340 0.060 0.000 0.215 312 L C 1.965 178.836 176.870 0.002 0.000 1.117 312 L CA 1.116 55.972 54.840 0.026 0.000 0.782 312 L CB -0.289 41.785 42.059 0.024 0.000 0.914 312 L HN 0.292 nan 8.230 nan 0.000 0.441 313 K N 0.267 120.657 120.400 -0.017 0.000 2.365 313 K HA 0.190 4.546 4.320 0.060 0.000 0.197 313 K C 1.026 177.582 176.600 -0.073 0.000 1.042 313 K CA 0.468 56.722 56.287 -0.055 0.000 0.987 313 K CB 0.104 32.552 32.500 -0.088 0.000 0.779 313 K HN 0.344 nan 8.250 nan 0.000 0.484 314 G N 1.478 110.252 108.800 -0.043 0.000 2.796 314 G HA2 -0.291 3.705 3.960 0.060 0.000 0.571 314 G HA3 -0.291 3.705 3.960 0.060 0.000 0.571 314 G C -0.348 174.506 174.900 -0.077 0.000 1.370 314 G CA -0.244 44.838 45.100 -0.030 0.000 0.856 314 G HN 0.310 nan 8.290 nan 0.000 0.538 315 R N -2.185 118.317 120.500 0.002 0.000 3.750 315 R HA -0.316 4.060 4.340 0.060 0.000 0.495 315 R C 1.655 178.044 176.300 0.149 0.000 0.241 315 R CA 3.128 59.280 56.100 0.087 0.000 1.551 315 R CB -1.452 28.846 30.300 -0.003 0.000 0.956 315 R HN 1.673 nan 8.270 nan 0.000 0.584 316 W N -0.161 121.200 121.300 0.101 0.000 3.316 316 W HA 0.304 5.001 4.660 0.062 0.000 0.327 316 W C 1.235 177.828 176.519 0.123 0.000 1.232 316 W CA -0.490 56.930 57.345 0.125 0.000 1.805 316 W CB 0.136 29.679 29.460 0.138 0.000 1.090 316 W HN 0.221 nan 8.180 nan 0.000 0.654 317 M N 1.723 121.091 119.600 -0.387 0.000 2.086 317 M HA -0.082 4.434 4.480 0.060 0.000 0.261 317 M C 1.246 177.524 176.300 -0.037 0.000 1.067 317 M CA 1.288 56.416 55.300 -0.287 0.000 1.116 317 M CB -1.728 30.695 32.600 -0.295 0.000 1.348 317 M HN 0.254 nan 8.290 nan 0.000 0.407 318 R N 1.945 122.458 120.500 0.021 0.000 3.422 318 R HA -0.126 4.250 4.340 0.060 0.000 0.267 318 R C -0.522 175.817 176.300 0.065 0.000 1.074 318 R CA 0.685 56.835 56.100 0.084 0.000 0.718 318 R CB -2.056 28.329 30.300 0.142 0.000 1.157 318 R HN 0.660 nan 8.270 nan 0.000 0.440 319 D N 0.993 121.416 120.400 0.039 0.000 2.368 319 D HA 0.097 4.774 4.640 0.060 0.000 0.240 319 D C -0.022 176.318 176.300 0.067 0.000 1.169 319 D CA -0.318 53.705 54.000 0.038 0.000 0.906 319 D CB 0.503 41.314 40.800 0.018 0.000 1.187 319 D HN 0.234 nan 8.370 nan 0.000 0.435 320 R N -0.830 119.704 120.500 0.057 0.000 3.055 320 R HA -0.192 4.184 4.340 0.060 0.000 0.265 320 R C -0.665 175.723 176.300 0.146 0.000 0.947 320 R CA -0.224 55.934 56.100 0.098 0.000 0.652 320 R CB -1.867 28.519 30.300 0.143 0.000 1.367 320 R HN 0.453 nan 8.270 nan 0.000 0.441 321 L N 2.970 124.195 121.223 0.003 0.000 2.418 321 L HA 0.153 4.530 4.340 0.060 0.000 0.274 321 L C 0.507 177.325 176.870 -0.087 0.000 1.135 321 L CA 0.635 55.445 54.840 -0.050 0.000 0.870 321 L CB 0.248 42.148 42.059 -0.265 0.000 1.154 321 L HN 0.206 nan 8.230 nan 0.000 0.462 322 H N 4.419 123.392 119.070 -0.160 0.000 2.616 322 H HA 0.509 5.101 4.556 0.060 0.000 0.353 322 H C -1.161 173.947 175.328 -0.367 0.000 1.170 322 H CA -0.935 54.864 56.048 -0.415 0.000 1.212 322 H CB 2.322 31.553 29.762 -0.885 0.000 1.653 322 H HN 0.505 nan 8.280 nan 0.000 0.537 323 L N 2.161 123.173 121.223 -0.352 0.000 2.356 323 L HA 0.327 4.704 4.340 0.060 0.000 0.277 323 L C -1.537 175.286 176.870 -0.079 0.000 0.996 323 L CA -0.477 54.311 54.840 -0.087 0.000 0.822 323 L CB 1.112 43.136 42.059 -0.058 0.000 1.256 323 L HN 0.510 nan 8.230 nan 0.000 0.413 324 W N 5.985 127.441 121.300 0.261 0.000 2.706 324 W HA 0.554 5.251 4.660 0.060 0.000 0.346 324 W C -0.536 176.204 176.519 0.369 0.000 1.071 324 W CA -0.895 56.672 57.345 0.370 0.000 1.206 324 W CB 2.152 31.961 29.460 0.581 0.000 1.413 324 W HN 0.450 nan 8.180 nan 0.000 0.542 325 M N 2.666 122.655 119.600 0.648 0.000 2.259 325 M HA 0.423 4.939 4.480 0.060 0.000 0.304 325 M C -1.162 175.514 176.300 0.627 0.000 1.019 325 M CA 0.127 55.740 55.300 0.522 0.000 0.922 325 M CB 2.169 34.996 32.600 0.379 0.000 1.600 325 M HN 0.324 nan 8.290 nan 0.000 0.433 326 T N 1.458 116.305 114.554 0.488 0.000 2.909 326 T HA 0.410 4.797 4.350 0.060 0.000 0.299 326 T C -0.601 174.226 174.700 0.212 0.000 1.073 326 T CA -0.581 61.748 62.100 0.381 0.000 0.999 326 T CB 1.201 70.224 68.868 0.259 0.000 1.098 326 T HN 0.803 nan 8.240 nan 0.000 0.477 327 D N 2.830 123.293 120.400 0.105 0.000 2.525 327 D HA 0.155 4.831 4.640 0.060 0.000 0.229 327 D C 0.745 177.007 176.300 -0.063 0.000 1.202 327 D CA -0.300 53.767 54.000 0.112 0.000 0.828 327 D CB -0.760 40.145 40.800 0.175 0.000 1.008 327 D HN 0.813 nan 8.370 nan 0.000 0.493 328 N N -0.293 118.235 118.700 -0.287 0.000 2.878 328 N HA -0.255 4.521 4.740 0.060 0.000 0.247 328 N C 0.322 175.716 175.510 -0.193 0.000 1.021 328 N CA 1.155 54.024 53.050 -0.302 0.000 0.873 328 N CB -0.322 37.963 38.487 -0.338 0.000 1.128 328 N HN 0.437 nan 8.380 nan 0.000 0.571 329 Q N -0.640 119.026 119.800 -0.223 0.000 2.361 329 Q HA 0.226 4.602 4.340 0.060 0.000 0.182 329 Q C -0.110 175.710 176.000 -0.299 0.000 0.650 329 Q CA -0.204 55.414 55.803 -0.307 0.000 0.842 329 Q CB 0.389 28.917 28.738 -0.350 0.000 1.211 329 Q HN 0.113 nan 8.270 nan 0.000 0.502 330 R N 0.904 121.172 120.500 -0.386 0.000 2.500 330 R HA 0.528 4.904 4.340 0.060 0.000 0.275 330 R C -0.616 175.686 176.300 0.003 0.000 1.051 330 R CA 0.118 56.063 56.100 -0.258 0.000 1.088 330 R CB 0.955 30.866 30.300 -0.649 0.000 1.063 330 R HN 0.141 nan 8.270 nan 0.000 0.511 331 I N 2.360 123.067 120.570 0.228 0.000 2.468 331 I HA 0.266 4.472 4.170 0.060 0.000 0.284 331 I C -1.179 175.275 176.117 0.563 0.000 1.038 331 I CA -0.591 60.931 61.300 0.369 0.000 1.083 331 I CB 1.245 39.332 38.000 0.146 0.000 1.223 331 I HN 0.419 nan 8.210 nan 0.000 0.443 332 F N 5.879 126.172 119.950 0.572 0.000 2.436 332 F HA 0.411 4.974 4.527 0.060 0.000 0.340 332 F C 0.097 176.166 175.800 0.448 0.000 1.113 332 F CA -0.518 57.772 58.000 0.484 0.000 1.022 332 F CB 1.112 40.367 39.000 0.425 0.000 1.128 332 F HN 0.358 nan 8.300 nan 0.000 0.466 333 D N 5.163 125.318 120.400 -0.407 0.000 2.365 333 D HA 0.162 4.838 4.640 0.060 0.000 0.237 333 D C 0.796 176.654 176.300 -0.736 0.000 1.190 333 D CA -0.020 53.681 54.000 -0.497 0.000 0.867 333 D CB 1.295 41.905 40.800 -0.316 0.000 1.050 333 D HN 0.390 nan 8.370 nan 0.000 0.491 334 V N 3.321 123.045 119.914 -0.318 0.000 2.626 334 V HA 0.217 4.373 4.120 0.060 0.000 0.252 334 V C 1.489 177.478 176.094 -0.174 0.000 1.067 334 V CA 1.359 63.629 62.300 -0.051 0.000 1.081 334 V CB -1.203 30.669 31.823 0.081 0.000 0.686 334 V HN 0.879 nan 8.190 nan 0.000 0.468 335 G N -0.730 107.876 108.800 -0.323 0.000 2.331 335 G HA2 -0.021 3.975 3.960 0.060 0.000 0.402 335 G HA3 -0.021 3.975 3.960 0.060 0.000 0.402 335 G C -0.883 173.547 174.900 -0.784 0.000 1.275 335 G CA -0.301 44.561 45.100 -0.398 0.000 1.003 335 G HN 0.240 nan 8.290 nan 0.000 0.500 336 Q N -0.067 119.215 119.800 -0.863 0.000 2.279 336 Q HA 0.568 4.944 4.340 0.060 0.000 0.256 336 Q C 1.428 177.189 176.000 -0.399 0.000 0.937 336 Q CA -0.099 55.182 55.803 -0.868 0.000 0.933 336 Q CB 0.652 29.054 28.738 -0.559 0.000 1.189 336 Q HN 0.811 nan 8.270 nan 0.000 0.417 337 I N 0.178 120.557 120.570 -0.318 0.000 3.854 337 I HA 0.162 4.368 4.170 0.060 0.000 0.312 337 I C 0.644 176.705 176.117 -0.094 0.000 1.273 337 I CA -0.385 60.812 61.300 -0.171 0.000 1.298 337 I CB 0.347 38.268 38.000 -0.131 0.000 1.071 337 I HN 0.394 nan 8.210 nan 0.000 0.428 338 S N 1.747 117.358 115.700 -0.148 0.000 2.634 338 S HA 0.523 5.029 4.470 0.060 0.000 0.261 338 S C -0.086 174.509 174.600 -0.010 0.000 1.271 338 S CA -0.565 57.615 58.200 -0.033 0.000 0.985 338 S CB 1.169 64.325 63.200 -0.073 0.000 0.968 338 S HN 0.249 nan 8.310 nan 0.000 0.568 339 I N 1.707 122.296 120.570 0.032 0.000 2.339 339 I HA 0.524 4.730 4.170 0.060 0.000 0.290 339 I C 1.277 177.400 176.117 0.009 0.000 0.994 339 I CA -0.061 61.247 61.300 0.014 0.000 1.191 339 I CB 0.555 38.571 38.000 0.027 0.000 1.343 339 I HN 1.143 nan 8.210 nan 0.000 0.458 340 G N 5.676 114.475 108.800 -0.002 0.000 2.596 340 G HA2 -0.353 3.644 3.960 0.060 0.000 0.295 340 G HA3 -0.353 3.644 3.960 0.060 0.000 0.295 340 G C 0.405 175.309 174.900 0.007 0.000 1.240 340 G CA 0.572 45.674 45.100 0.002 0.000 0.985 340 G HN 0.687 nan 8.290 nan 0.000 0.555 341 D N 2.158 122.562 120.400 0.008 0.000 2.358 341 D HA 0.215 4.892 4.640 0.060 0.000 0.224 341 D C 1.256 177.560 176.300 0.006 0.000 1.123 341 D CA 0.732 54.736 54.000 0.008 0.000 0.833 341 D CB -0.328 40.474 40.800 0.003 0.000 0.946 341 D HN 0.699 nan 8.370 nan 0.000 0.505 342 E N -0.213 119.995 120.200 0.013 0.000 2.404 342 E HA 0.028 4.414 4.350 0.060 0.000 0.261 342 E C -0.245 176.366 176.600 0.019 0.000 1.074 342 E CA -0.418 55.991 56.400 0.016 0.000 0.917 342 E CB 0.484 30.204 29.700 0.033 0.000 0.965 342 E HN -0.091 nan 8.360 nan 0.000 0.433 343 N N 1.671 120.375 118.700 0.007 0.000 2.497 343 N HA 0.020 4.797 4.740 0.060 0.000 0.271 343 N C -0.149 175.398 175.510 0.062 0.000 1.142 343 N CA 0.138 53.197 53.050 0.014 0.000 0.965 343 N CB 1.510 39.982 38.487 -0.025 0.000 1.077 343 N HN 0.671 nan 8.380 nan 0.000 0.462 344 S N 1.251 117.004 115.700 0.089 0.000 4.337 344 S HA 0.880 5.386 4.470 0.060 0.000 0.207 344 S C 0.683 175.404 174.600 0.202 0.000 1.031 344 S CA 0.300 58.589 58.200 0.148 0.000 1.792 344 S CB 0.886 64.118 63.200 0.054 0.000 0.767 344 S HN 0.650 nan 8.310 nan 0.000 0.736 345 G N -0.473 108.441 108.800 0.190 0.000 2.470 345 G HA2 0.250 4.247 3.960 0.060 0.000 0.145 345 G HA3 0.250 4.247 3.960 0.060 0.000 0.145 345 G C -1.618 173.445 174.900 0.271 0.000 1.223 345 G CA -0.634 44.628 45.100 0.271 0.000 1.058 345 G HN 0.554 nan 8.290 nan 0.000 0.469 346 Y N 1.765 122.096 120.300 0.052 0.000 2.550 346 Y HA 0.511 5.096 4.550 0.059 0.000 0.343 346 Y C 1.283 177.207 175.900 0.041 0.000 1.245 346 Y CA -0.023 58.080 58.100 0.005 0.000 1.462 346 Y CB 1.094 39.552 38.460 -0.005 0.000 1.340 346 Y HN 0.915 nan 8.280 nan 0.000 0.604 347 S N -0.164 115.609 115.700 0.121 0.000 2.596 347 S HA 0.782 5.288 4.470 0.060 0.000 0.270 347 S C -0.952 173.699 174.600 0.084 0.000 1.155 347 S CA -0.901 57.369 58.200 0.117 0.000 0.827 347 S CB 2.141 65.360 63.200 0.031 0.000 1.130 347 S HN 0.577 nan 8.310 nan 0.000 0.467 348 S N -0.066 115.709 115.700 0.126 0.000 2.536 348 S HA 0.751 5.258 4.470 0.060 0.000 0.271 348 S C -1.335 173.362 174.600 0.162 0.000 1.134 348 S CA -0.244 58.034 58.200 0.130 0.000 0.897 348 S CB 1.249 64.536 63.200 0.145 0.000 1.094 348 S HN 1.961 nan 8.310 nan 0.000 0.473 349 V N 2.330 122.341 119.914 0.161 0.000 2.735 349 V HA 0.958 5.114 4.120 0.060 0.000 0.310 349 V C -1.314 174.915 176.094 0.226 0.000 1.061 349 V CA -0.856 61.557 62.300 0.188 0.000 0.913 349 V CB 1.437 33.347 31.823 0.145 0.000 1.005 349 V HN 0.840 nan 8.190 nan 0.000 0.428 350 L N 4.550 125.950 121.223 0.296 0.000 2.436 350 L HA 0.694 5.070 4.340 0.060 0.000 0.268 350 L C -1.725 175.402 176.870 0.428 0.000 0.974 350 L CA -0.577 54.464 54.840 0.335 0.000 0.826 350 L CB 2.051 44.317 42.059 0.345 0.000 1.291 350 L HN 0.870 nan 8.230 nan 0.000 0.406 351 Y N 5.022 125.448 120.300 0.211 0.000 2.334 351 Y HA 0.621 5.207 4.550 0.060 0.000 0.336 351 Y C -0.932 175.083 175.900 0.192 0.000 0.960 351 Y CA -0.661 57.546 58.100 0.178 0.000 1.164 351 Y CB 0.911 39.440 38.460 0.116 0.000 1.155 351 Y HN 0.716 nan 8.280 nan 0.000 0.478 352 K N 5.272 125.670 120.400 -0.004 0.000 2.507 352 K HA 0.285 4.641 4.320 0.060 0.000 0.251 352 K C -1.029 175.517 176.600 -0.090 0.000 0.943 352 K CA -0.484 55.796 56.287 -0.012 0.000 0.794 352 K CB 0.950 33.549 32.500 0.165 0.000 1.188 352 K HN 0.716 nan 8.250 nan 0.000 0.428 353 D N 3.883 124.187 120.400 -0.159 0.000 2.686 353 D HA -0.214 4.462 4.640 0.060 0.000 0.235 353 D C -0.285 175.923 176.300 -0.153 0.000 1.160 353 D CA 1.882 55.812 54.000 -0.118 0.000 0.645 353 D CB -0.830 39.955 40.800 -0.024 0.000 1.039 353 D HN 0.999 nan 8.370 nan 0.000 0.423 354 D N -1.085 119.086 120.400 -0.382 0.000 2.945 354 D HA -0.217 4.460 4.640 0.060 0.000 0.225 354 D C -0.616 175.669 176.300 -0.026 0.000 1.158 354 D CA 1.335 55.187 54.000 -0.247 0.000 0.805 354 D CB -0.470 40.313 40.800 -0.029 0.000 1.098 354 D HN 0.549 nan 8.370 nan 0.000 0.426 355 K N -0.362 119.986 120.400 -0.086 0.000 2.371 355 K HA 0.618 4.975 4.320 0.060 0.000 0.251 355 K C -0.925 175.611 176.600 -0.106 0.000 0.934 355 K CA -1.137 55.096 56.287 -0.089 0.000 0.798 355 K CB 2.113 34.526 32.500 -0.144 0.000 1.204 355 K HN 0.015 nan 8.250 nan 0.000 0.427 356 L N 2.915 123.996 121.223 -0.236 0.000 2.317 356 L HA 0.512 4.888 4.340 0.060 0.000 0.281 356 L C -1.656 174.943 176.870 -0.451 0.000 1.024 356 L CA -0.170 54.608 54.840 -0.104 0.000 0.810 356 L CB 0.696 42.754 42.059 -0.002 0.000 1.240 356 L HN 0.522 nan 8.230 nan 0.000 0.427 357 Y N 1.866 122.239 120.300 0.122 0.000 2.581 357 Y HA 0.702 5.288 4.550 0.060 0.000 0.345 357 Y C -0.125 175.830 175.900 0.093 0.000 1.036 357 Y CA -0.765 57.364 58.100 0.048 0.000 1.042 357 Y CB 2.363 40.904 38.460 0.135 0.000 1.289 357 Y HN 0.539 nan 8.280 nan 0.000 0.471 358 S N 1.415 117.251 115.700 0.226 0.000 2.548 358 S HA 0.729 5.235 4.470 0.060 0.000 0.286 358 S C -2.217 172.543 174.600 0.266 0.000 1.098 358 S CA -0.515 57.830 58.200 0.240 0.000 0.930 358 S CB 1.188 64.521 63.200 0.222 0.000 1.070 358 S HN 0.562 nan 8.310 nan 0.000 0.480 359 L N 5.011 126.398 121.223 0.273 0.000 2.343 359 L HA 0.753 5.129 4.340 0.060 0.000 0.278 359 L C -0.878 176.112 176.870 0.199 0.000 0.996 359 L CA 0.053 55.027 54.840 0.223 0.000 0.831 359 L CB 1.227 43.420 42.059 0.223 0.000 1.232 359 L HN 0.986 nan 8.230 nan 0.000 0.413 360 H N 1.162 120.297 119.070 0.109 0.000 3.008 360 H HA 0.607 5.199 4.556 0.060 0.000 0.354 360 H C -1.287 174.101 175.328 0.100 0.000 1.252 360 H CA -0.974 55.130 56.048 0.092 0.000 1.117 360 H CB 0.885 30.693 29.762 0.076 0.000 1.857 360 H HN 0.525 nan 8.280 nan 0.000 0.547 361 E N 1.164 121.553 120.200 0.313 0.000 2.383 361 E HA 0.325 4.712 4.350 0.060 0.000 0.264 361 E C -0.130 176.659 176.600 0.316 0.000 1.050 361 E CA -0.345 56.220 56.400 0.274 0.000 0.896 361 E CB 1.223 31.114 29.700 0.319 0.000 0.982 361 E HN 0.546 nan 8.360 nan 0.000 0.424 362 I N -0.318 120.369 120.570 0.195 0.000 2.608 362 I HA 0.502 4.709 4.170 0.060 0.000 0.295 362 I C -0.962 175.177 176.117 0.037 0.000 1.049 362 I CA -0.890 60.490 61.300 0.133 0.000 1.063 362 I CB 2.076 40.127 38.000 0.084 0.000 1.248 362 I HN 0.370 nan 8.210 nan 0.000 0.424 363 N N 3.161 121.823 118.700 -0.062 0.000 2.461 363 N HA 0.459 5.235 4.740 0.060 0.000 0.284 363 N C -1.506 173.900 175.510 -0.174 0.000 1.049 363 N CA -0.280 52.589 53.050 -0.301 0.000 0.889 363 N CB 1.894 40.153 38.487 -0.381 0.000 1.365 363 N HN 0.748 nan 8.380 nan 0.000 0.499 364 T N 2.930 117.389 114.554 -0.159 0.000 2.809 364 T HA 0.302 4.688 4.350 0.060 0.000 0.284 364 T C -0.091 174.564 174.700 -0.076 0.000 0.992 364 T CA -0.430 61.619 62.100 -0.085 0.000 0.957 364 T CB 0.745 69.584 68.868 -0.048 0.000 0.942 364 T HN 0.682 nan 8.240 nan 0.000 0.439 365 N N 2.836 121.518 118.700 -0.030 0.000 2.747 365 N HA -0.155 4.621 4.740 0.060 0.000 0.249 365 N C -0.430 175.109 175.510 0.048 0.000 1.107 365 N CA 1.115 54.179 53.050 0.023 0.000 0.707 365 N CB -1.001 37.498 38.487 0.020 0.000 1.054 365 N HN 0.838 nan 8.380 nan 0.000 0.555 366 D N -2.289 118.107 120.400 -0.007 0.000 2.772 366 D HA -0.154 4.522 4.640 0.060 0.000 0.233 366 D C -0.569 175.794 176.300 0.105 0.000 1.143 366 D CA 0.977 54.986 54.000 0.016 0.000 0.700 366 D CB -1.335 39.608 40.800 0.238 0.000 1.076 366 D HN 0.323 nan 8.370 nan 0.000 0.430 367 V N 0.747 120.615 119.914 -0.077 0.000 2.487 367 V HA 0.469 4.625 4.120 0.060 0.000 0.298 367 V C -0.150 175.903 176.094 -0.069 0.000 1.028 367 V CA -0.819 61.508 62.300 0.045 0.000 0.860 367 V CB 1.473 33.234 31.823 -0.103 0.000 0.991 367 V HN -0.023 nan 8.190 nan 0.000 0.427 368 Y N 1.691 122.037 120.300 0.077 0.000 2.377 368 Y HA 0.691 5.278 4.550 0.062 0.000 0.339 368 Y C 0.652 176.624 175.900 0.119 0.000 1.011 368 Y CA -0.368 57.784 58.100 0.086 0.000 1.093 368 Y CB 2.289 40.791 38.460 0.069 0.000 1.201 368 Y HN 0.602 nan 8.280 nan 0.000 0.455 369 S N 2.654 118.497 115.700 0.237 0.000 2.689 369 S HA 0.725 5.231 4.470 0.060 0.000 0.306 369 S C -1.064 173.632 174.600 0.159 0.000 1.104 369 S CA -0.894 57.437 58.200 0.219 0.000 0.973 369 S CB 1.140 64.415 63.200 0.125 0.000 1.121 369 S HN 0.450 nan 8.310 nan 0.000 0.523 370 L N 2.107 123.396 121.223 0.110 0.000 2.333 370 L HA 0.603 4.979 4.340 0.060 0.000 0.280 370 L C -0.528 176.348 176.870 0.010 0.000 1.004 370 L CA -0.990 53.869 54.840 0.032 0.000 0.820 370 L CB 1.551 43.581 42.059 -0.049 0.000 1.247 370 L HN 0.452 nan 8.230 nan 0.000 0.416 371 V N -0.149 119.699 119.914 -0.109 0.000 2.532 371 V HA 0.510 4.666 4.120 0.060 0.000 0.295 371 V C -0.721 175.368 176.094 -0.009 0.000 1.041 371 V CA -0.612 61.625 62.300 -0.104 0.000 0.926 371 V CB 1.707 33.401 31.823 -0.216 0.000 0.992 371 V HN 0.544 nan 8.190 nan 0.000 0.457 372 F N 4.867 124.775 119.950 -0.069 0.000 2.388 372 F HA 0.766 5.329 4.527 0.060 0.000 0.358 372 F C -0.459 175.395 175.800 0.090 0.000 1.122 372 F CA -0.905 57.112 58.000 0.027 0.000 1.056 372 F CB 1.282 40.294 39.000 0.020 0.000 1.155 372 F HN 0.465 nan 8.300 nan 0.000 0.461 373 V N 6.899 126.634 119.914 -0.297 0.000 2.459 373 V HA 0.502 4.658 4.120 0.060 0.000 0.295 373 V C -0.216 175.710 176.094 -0.279 0.000 1.029 373 V CA -0.971 61.202 62.300 -0.211 0.000 0.874 373 V CB 1.766 33.579 31.823 -0.018 0.000 0.985 373 V HN 0.588 nan 8.190 nan 0.000 0.438 374 R N 4.362 124.730 120.500 -0.220 0.000 2.204 374 R HA 0.463 4.839 4.340 0.060 0.000 0.341 374 R C -0.609 175.595 176.300 -0.160 0.000 1.035 374 R CA -0.357 55.621 56.100 -0.204 0.000 0.887 374 R CB 0.679 30.909 30.300 -0.118 0.000 1.114 374 R HN 0.629 nan 8.270 nan 0.000 0.473 375 L N 5.348 126.461 121.223 -0.184 0.000 2.480 375 L HA 0.163 4.539 4.340 0.060 0.000 0.243 375 L C 1.175 177.978 176.870 -0.112 0.000 1.315 375 L CA -0.005 54.767 54.840 -0.113 0.000 1.231 375 L CB -0.091 41.922 42.059 -0.077 0.000 1.444 375 L HN 0.702 nan 8.230 nan 0.000 0.409 376 I N 0.359 120.870 120.570 -0.097 0.000 2.277 376 I HA -0.101 4.105 4.170 0.060 0.000 0.243 376 I C 2.505 178.591 176.117 -0.052 0.000 1.094 376 I CA 1.325 62.579 61.300 -0.076 0.000 1.393 376 I CB -0.207 37.756 38.000 -0.061 0.000 1.078 376 I HN 0.581 nan 8.210 nan 0.000 0.417 377 G N 0.368 109.141 108.800 -0.044 0.000 2.422 377 G HA2 -0.218 3.779 3.960 0.060 0.000 0.218 377 G HA3 -0.218 3.779 3.960 0.060 0.000 0.218 377 G C 1.466 176.347 174.900 -0.032 0.000 1.146 377 G CA 0.660 45.740 45.100 -0.033 0.000 0.769 377 G HN 0.311 nan 8.290 nan 0.000 0.547 378 E N -0.190 119.987 120.200 -0.039 0.000 2.072 378 E HA -0.039 4.347 4.350 0.060 0.000 0.191 378 E C 2.284 178.863 176.600 -0.035 0.000 0.985 378 E CA 0.414 56.795 56.400 -0.030 0.000 0.801 378 E CB -0.346 29.329 29.700 -0.040 0.000 0.750 378 E HN 0.328 nan 8.360 nan 0.000 0.452 379 L N 1.095 122.287 121.223 -0.051 0.000 2.083 379 L HA -0.212 4.164 4.340 0.060 0.000 0.209 379 L C 2.292 179.126 176.870 -0.061 0.000 1.083 379 L CA 1.868 56.671 54.840 -0.062 0.000 0.752 379 L CB -0.529 41.504 42.059 -0.042 0.000 0.899 379 L HN 0.168 nan 8.230 nan 0.000 0.433 380 Q N -1.033 118.739 119.800 -0.047 0.000 2.096 380 Q HA -0.260 4.116 4.340 0.060 0.000 0.204 380 Q C 2.250 178.210 176.000 -0.066 0.000 0.982 380 Q CA 2.244 58.019 55.803 -0.047 0.000 0.850 380 Q CB -0.291 28.427 28.738 -0.033 0.000 0.901 380 Q HN 0.521 nan 8.270 nan 0.000 0.422 381 L N 0.301 121.493 121.223 -0.053 0.000 2.056 381 L HA -0.124 4.252 4.340 0.060 0.000 0.207 381 L C 2.213 178.984 176.870 -0.164 0.000 1.078 381 L CA 1.697 56.500 54.840 -0.062 0.000 0.749 381 L CB -0.376 41.704 42.059 0.034 0.000 0.901 381 L HN 0.315 nan 8.230 nan 0.000 0.433 382 M N -0.727 118.791 119.600 -0.136 0.000 2.108 382 M HA -0.262 4.254 4.480 0.060 0.000 0.261 382 M C 2.217 178.350 176.300 -0.279 0.000 1.066 382 M CA 1.940 57.108 55.300 -0.220 0.000 1.107 382 M CB -0.408 32.107 32.600 -0.141 0.000 1.356 382 M HN 0.135 nan 8.290 nan 0.000 0.406 383 K N -0.604 119.683 120.400 -0.189 0.000 2.097 383 K HA -0.120 4.236 4.320 0.060 0.000 0.206 383 K C 2.298 178.783 176.600 -0.191 0.000 1.049 383 K CA 1.573 57.763 56.287 -0.161 0.000 0.933 383 K CB -0.326 32.120 32.500 -0.090 0.000 0.717 383 K HN 0.231 nan 8.250 nan 0.000 0.442 384 S N 0.655 116.237 115.700 -0.197 0.000 2.368 384 S HA -0.119 4.388 4.470 0.060 0.000 0.225 384 S C 2.005 176.418 174.600 -0.311 0.000 1.030 384 S CA 1.138 59.220 58.200 -0.198 0.000 0.999 384 S CB -0.128 62.978 63.200 -0.157 0.000 0.844 384 S HN 0.074 nan 8.310 nan 0.000 0.459 385 V N 1.299 120.911 119.914 -0.503 0.000 2.358 385 V HA -0.085 4.071 4.120 0.060 0.000 0.246 385 V C 2.471 178.015 176.094 -0.916 0.000 1.047 385 V CA 1.622 63.432 62.300 -0.818 0.000 1.035 385 V CB -0.597 30.443 31.823 -1.305 0.000 0.658 385 V HN 0.419 nan 8.190 nan 0.000 0.452 386 V N -0.100 119.404 119.914 -0.683 0.000 2.407 386 V HA -0.252 3.904 4.120 0.060 0.000 0.248 386 V C 2.591 178.593 176.094 -0.153 0.000 1.055 386 V CA 1.950 64.005 62.300 -0.409 0.000 1.049 386 V CB -0.784 30.917 31.823 -0.202 0.000 0.662 386 V HN 0.479 nan 8.190 nan 0.000 0.455 387 R N -0.448 119.959 120.500 -0.154 0.000 2.096 387 R HA -0.142 4.235 4.340 0.060 0.000 0.235 387 R C 2.415 178.698 176.300 -0.029 0.000 1.127 387 R CA 1.887 57.951 56.100 -0.060 0.000 0.968 387 R CB -0.687 29.574 30.300 -0.065 0.000 0.861 387 R HN 0.482 nan 8.270 nan 0.000 0.440 388 T N 0.004 114.503 114.554 -0.093 0.000 2.746 388 T HA -0.157 4.230 4.350 0.060 0.000 0.267 388 T C 1.252 176.041 174.700 0.149 0.000 1.039 388 T CA 1.185 63.271 62.100 -0.024 0.000 1.142 388 T CB -0.152 68.669 68.868 -0.079 0.000 0.866 388 T HN 0.340 nan 8.240 nan 0.000 0.444 389 W N 1.899 123.228 121.300 0.048 0.000 2.358 389 W HA 0.077 4.773 4.660 0.060 0.000 0.303 389 W C 2.284 178.904 176.519 0.169 0.000 1.208 389 W CA 0.339 57.800 57.345 0.192 0.000 1.274 389 W CB -0.911 28.685 29.460 0.227 0.000 1.138 389 W HN 0.309 nan 8.180 nan 0.000 0.515 390 K N 0.039 120.641 120.400 0.336 0.000 2.057 390 K HA -0.192 4.164 4.320 0.060 0.000 0.206 390 K C 1.898 178.601 176.600 0.171 0.000 1.050 390 K CA 1.678 58.099 56.287 0.223 0.000 0.935 390 K CB -0.422 32.168 32.500 0.150 0.000 0.715 390 K HN 0.126 nan 8.250 nan 0.000 0.439 391 E N 1.044 121.322 120.200 0.130 0.000 2.077 391 E HA -0.249 4.138 4.350 0.060 0.000 0.193 391 E C 1.957 178.632 176.600 0.125 0.000 0.989 391 E CA 1.338 57.796 56.400 0.096 0.000 0.800 391 E CB 0.152 29.878 29.700 0.043 0.000 0.746 391 E HN 0.153 nan 8.360 nan 0.000 0.452 392 E N 0.793 121.059 120.200 0.110 0.000 2.072 392 E HA -0.163 4.223 4.350 0.060 0.000 0.190 392 E C 1.566 178.305 176.600 0.232 0.000 0.982 392 E CA 1.630 58.102 56.400 0.119 0.000 0.803 392 E CB -0.137 29.480 29.700 -0.138 0.000 0.755 392 E HN 0.255 nan 8.360 nan 0.000 0.453 393 D N 0.150 120.714 120.400 0.274 0.000 2.123 393 D HA -0.140 4.537 4.640 0.060 0.000 0.196 393 D C 1.503 177.897 176.300 0.157 0.000 0.992 393 D CA 0.962 55.103 54.000 0.235 0.000 0.833 393 D CB -0.338 40.591 40.800 0.215 0.000 0.954 393 D HN 0.188 nan 8.370 nan 0.000 0.455 394 N N -0.207 118.585 118.700 0.153 0.000 2.188 394 N HA -0.147 4.629 4.740 0.060 0.000 0.184 394 N C 1.697 177.276 175.510 0.116 0.000 1.018 394 N CA 0.761 53.880 53.050 0.114 0.000 0.858 394 N CB -0.482 38.068 38.487 0.106 0.000 0.989 394 N HN 0.397 nan 8.380 nan 0.000 0.426 395 H N 1.005 120.114 119.070 0.065 0.000 2.293 395 H HA 0.086 4.678 4.556 0.060 0.000 0.300 395 H C 2.055 177.417 175.328 0.056 0.000 1.082 395 H CA 1.436 57.518 56.048 0.056 0.000 1.308 395 H CB -0.376 29.422 29.762 0.061 0.000 1.375 395 H HN 0.059 nan 8.280 nan 0.000 0.495 396 L N -0.218 120.994 121.223 -0.019 0.000 2.017 396 L HA -0.125 4.251 4.340 0.060 0.000 0.208 396 L C 2.782 179.598 176.870 -0.090 0.000 1.073 396 L CA 1.086 55.870 54.840 -0.092 0.000 0.745 396 L CB -0.716 41.358 42.059 0.025 0.000 0.894 396 L HN 0.442 nan 8.230 nan 0.000 0.432 397 A N -1.111 121.694 122.820 -0.025 0.000 2.125 397 A HA -0.122 4.234 4.320 0.060 0.000 0.219 397 A C 2.294 179.854 177.584 -0.041 0.000 1.156 397 A CA 1.703 53.728 52.037 -0.020 0.000 0.671 397 A CB -0.327 18.680 19.000 0.012 0.000 0.794 397 A HN 0.397 nan 8.150 nan 0.000 0.459 398 S N -0.649 115.010 115.700 -0.069 0.000 2.535 398 S HA 0.275 4.781 4.470 0.060 0.000 0.214 398 S C 0.525 175.067 174.600 -0.097 0.000 0.980 398 S CA -0.421 57.740 58.200 -0.063 0.000 0.907 398 S CB -0.178 63.001 63.200 -0.035 0.000 0.790 398 S HN 0.502 nan 8.310 nan 0.000 0.510 399 I N 1.783 122.263 120.570 -0.149 0.000 2.683 399 I HA -0.019 4.187 4.170 0.060 0.000 0.286 399 I C 0.474 176.544 176.117 -0.079 0.000 1.175 399 I CA -0.210 61.008 61.300 -0.137 0.000 1.429 399 I CB 0.340 38.246 38.000 -0.157 0.000 1.371 399 I HN 0.175 nan 8.210 nan 0.000 0.569 400 c N 7.846 126.410 118.600 -0.060 0.000 2.289 400 c HA 0.307 4.913 4.570 0.060 0.000 0.340 400 c C 1.088 175.149 174.090 -0.048 0.000 1.152 400 c CA -0.545 55.757 56.329 -0.045 0.000 1.650 400 c CB -1.374 41.116 42.510 -0.034 0.000 2.203 400 c HN 0.876 nan 8.230 nan 0.000 0.511 401 T N 4.853 119.377 114.554 -0.051 0.000 2.849 401 T HA 0.478 4.865 4.350 0.060 0.000 0.284 401 T C -2.672 171.996 174.700 -0.052 0.000 1.004 401 T CA -1.417 60.648 62.100 -0.057 0.000 1.021 401 T CB 0.767 69.599 68.868 -0.059 0.000 1.013 401 T HN 0.478 nan 8.240 nan 0.000 0.527 402 P HA 0.203 nan 4.420 nan 0.000 0.268 402 P C 0.093 177.368 177.300 -0.042 0.000 1.205 402 P CA -0.577 62.490 63.100 -0.055 0.000 0.771 402 P CB 0.223 31.878 31.700 -0.074 0.000 0.858 403 V N 2.233 122.128 119.914 -0.032 0.000 2.963 403 V HA 0.338 4.494 4.120 0.060 0.000 0.306 403 V C 0.311 176.393 176.094 -0.019 0.000 1.077 403 V CA -0.256 62.030 62.300 -0.024 0.000 1.124 403 V CB 0.424 32.236 31.823 -0.019 0.000 0.987 403 V HN 0.397 nan 8.190 nan 0.000 0.487 404 V N 0.295 120.201 119.914 -0.013 0.000 3.046 404 V HA 0.608 4.764 4.120 0.060 0.000 0.316 404 V C -1.438 174.655 176.094 -0.003 0.000 1.104 404 V CA -1.756 60.541 62.300 -0.005 0.000 1.006 404 V CB 0.721 32.543 31.823 -0.002 0.000 1.058 404 V HN 0.654 nan 8.190 nan 0.000 0.440 405 P HA 0.032 nan 4.420 nan 0.000 0.218 405 P C 0.453 177.752 177.300 -0.001 0.000 1.146 405 P CA 1.979 65.080 63.100 0.002 0.000 0.813 405 P CB 0.031 31.735 31.700 0.007 0.000 0.778 414 c N 1.562 120.150 118.600 -0.020 0.000 2.470 414 c HA 0.859 5.465 4.570 0.060 0.000 0.341 414 c C 1.372 175.446 174.090 -0.026 0.000 1.190 414 c CA -0.022 56.292 56.329 -0.025 0.000 1.904 414 c CB 0.970 43.463 42.510 -0.028 0.000 2.354 414 c HN 0.688 nan 8.230 nan 0.000 0.509 415 G N 0.419 109.200 108.800 -0.031 0.000 2.494 415 G HA2 0.525 4.521 3.960 0.060 0.000 0.270 415 G HA3 0.525 4.521 3.960 0.060 0.000 0.270 415 G C 0.046 174.927 174.900 -0.032 0.000 1.423 415 G CA 0.113 45.195 45.100 -0.031 0.000 1.055 415 G HN 1.207 nan 8.290 nan 0.000 0.536 416 A N -1.022 121.777 122.820 -0.034 0.000 2.425 416 A HA 0.582 4.938 4.320 0.060 0.000 0.242 416 A C 0.916 178.476 177.584 -0.040 0.000 1.077 416 A CA 0.418 52.434 52.037 -0.036 0.000 0.781 416 A CB -0.201 18.776 19.000 -0.040 0.000 1.020 416 A HN 1.750 nan 8.150 nan 0.000 0.494 417 A N 1.456 124.253 122.820 -0.037 0.000 2.445 417 A HA 0.454 4.810 4.320 0.060 0.000 0.242 417 A C 0.410 177.971 177.584 -0.040 0.000 1.075 417 A CA -0.294 51.721 52.037 -0.037 0.000 0.777 417 A CB -0.189 18.793 19.000 -0.029 0.000 1.013 417 A HN 1.190 nan 8.150 nan 0.000 0.493 418 V N 4.834 124.724 119.914 -0.040 0.000 2.557 418 V HA 0.081 4.238 4.120 0.060 0.000 0.301 418 V C -1.746 174.343 176.094 -0.008 0.000 1.026 418 V CA -0.521 61.761 62.300 -0.030 0.000 1.137 418 V CB 0.188 31.989 31.823 -0.037 0.000 0.917 418 V HN 0.797 nan 8.190 nan 0.000 0.484 419 P HA 0.135 nan 4.420 nan 0.000 0.267 419 P C 0.587 177.972 177.300 0.142 0.000 1.209 419 P CA 0.109 63.222 63.100 0.022 0.000 0.763 419 P CB 0.687 32.324 31.700 -0.104 0.000 0.816 420 T N -1.003 113.603 114.554 0.087 0.000 2.959 420 T HA 0.314 4.701 4.350 0.060 0.000 0.254 420 T C 0.840 175.557 174.700 0.029 0.000 1.003 420 T CA -0.052 62.084 62.100 0.061 0.000 0.950 420 T CB -0.030 68.862 68.868 0.040 0.000 1.090 420 T HN 0.391 nan 8.240 nan 0.000 0.503 421 A N 1.097 123.938 122.820 0.035 0.000 2.491 421 A HA 0.572 4.928 4.320 0.060 0.000 0.261 421 A C 1.649 179.248 177.584 0.025 0.000 1.101 421 A CA 0.279 52.318 52.037 0.004 0.000 0.772 421 A CB -1.100 17.896 19.000 -0.006 0.000 1.043 421 A HN 1.512 nan 8.150 nan 0.000 0.501 422 G N 1.371 110.138 108.800 -0.054 0.000 2.159 422 G HA2 -0.201 3.795 3.960 0.060 0.000 0.256 422 G HA3 -0.201 3.795 3.960 0.060 0.000 0.256 422 G C 0.185 174.979 174.900 -0.176 0.000 0.977 422 G CA 0.291 45.331 45.100 -0.100 0.000 0.652 422 G HN 1.172 nan 8.290 nan 0.000 0.531 423 L N 1.368 122.415 121.223 -0.293 0.000 2.385 423 L HA 0.464 4.840 4.340 0.060 0.000 0.281 423 L C 1.576 178.017 176.870 -0.715 0.000 1.106 423 L CA -0.514 53.893 54.840 -0.722 0.000 0.856 423 L CB 0.972 42.648 42.059 -0.638 0.000 1.186 423 L HN -0.016 nan 8.230 nan 0.000 0.453 424 V N 4.546 124.072 119.914 -0.646 0.000 2.575 424 V HA 0.285 4.441 4.120 0.060 0.000 0.242 424 V C 1.020 176.919 176.094 -0.325 0.000 1.045 424 V CA 0.936 62.932 62.300 -0.508 0.000 1.065 424 V CB 0.366 31.909 31.823 -0.467 0.000 0.717 424 V HN 0.848 nan 8.190 nan 0.000 0.467 425 G N -1.360 107.330 108.800 -0.183 0.000 2.690 425 G HA2 0.623 4.619 3.960 0.060 0.000 0.293 425 G HA3 0.623 4.619 3.960 0.060 0.000 0.293 425 G C -1.955 173.262 174.900 0.529 0.000 1.399 425 G CA -0.404 44.887 45.100 0.319 0.000 0.890 425 G HN 0.019 nan 8.290 nan 0.000 0.485 426 F N 1.420 121.623 119.950 0.422 0.000 2.630 426 F HA 0.548 5.111 4.527 0.060 0.000 0.325 426 F C -1.412 174.355 175.800 -0.056 0.000 1.184 426 F CA -1.150 56.959 58.000 0.182 0.000 1.011 426 F CB 1.440 40.597 39.000 0.261 0.000 1.268 426 F HN 0.302 nan 8.300 nan 0.000 0.480 427 L N 6.223 127.200 121.223 -0.409 0.000 2.280 427 L HA 0.532 4.908 4.340 0.060 0.000 0.287 427 L C -0.053 176.393 176.870 -0.706 0.000 1.023 427 L CA -0.172 54.087 54.840 -0.969 0.000 0.819 427 L CB 1.497 42.349 42.059 -2.012 0.000 1.212 427 L HN 0.665 nan 8.230 nan 0.000 0.420 428 S N 0.156 115.601 115.700 -0.426 0.000 4.341 428 S HA 0.160 4.666 4.470 0.060 0.000 0.220 428 S C 0.984 175.691 174.600 0.178 0.000 1.133 428 S CA -0.037 58.047 58.200 -0.193 0.000 1.679 428 S CB 0.234 63.015 63.200 -0.699 0.000 1.237 428 S HN 0.794 nan 8.310 nan 0.000 0.744 429 H N 1.439 120.497 119.070 -0.020 0.000 2.357 429 H HA 0.366 4.958 4.556 0.060 0.000 0.301 429 H C 0.463 175.803 175.328 0.020 0.000 1.082 429 H CA 1.785 57.840 56.048 0.011 0.000 1.342 429 H CB -0.375 29.374 29.762 -0.021 0.000 1.389 429 H HN 0.254 nan 8.280 nan 0.000 0.511 430 S N 0.622 116.344 115.700 0.036 0.000 2.498 430 S HA 0.515 5.022 4.470 0.060 0.000 0.281 430 S C -0.310 174.306 174.600 0.027 0.000 1.265 430 S CA 0.144 58.340 58.200 -0.007 0.000 1.071 430 S CB 0.630 63.853 63.200 0.038 0.000 0.894 430 S HN 0.642 nan 8.310 nan 0.000 0.491 431 A N 3.415 126.188 122.820 -0.078 0.000 2.566 431 A HA 0.734 5.090 4.320 0.060 0.000 0.290 431 A C -0.762 176.754 177.584 -0.115 0.000 1.071 431 A CA -1.067 50.918 52.037 -0.086 0.000 0.658 431 A CB 1.027 19.843 19.000 -0.306 0.000 1.285 431 A HN 0.742 nan 8.150 nan 0.000 0.427 432 N N -1.248 117.399 118.700 -0.087 0.000 3.513 432 N HA 0.570 5.347 4.740 0.060 0.000 0.351 432 N C 1.067 176.529 175.510 -0.081 0.000 1.624 432 N CA 0.108 53.111 53.050 -0.079 0.000 0.712 432 N CB -0.145 38.321 38.487 -0.036 0.000 2.106 432 N HN 0.921 nan 8.380 nan 0.000 0.649 433 G N -1.307 107.462 108.800 -0.051 0.000 2.443 433 G HA2 -0.081 3.915 3.960 0.060 0.000 0.219 433 G HA3 -0.081 3.915 3.960 0.060 0.000 0.219 433 G C 0.775 175.669 174.900 -0.011 0.000 1.131 433 G CA 1.345 46.422 45.100 -0.038 0.000 0.775 433 G HN 0.740 nan 8.290 nan 0.000 0.547 434 S N -1.710 113.993 115.700 0.004 0.000 2.604 434 S HA 0.441 4.947 4.470 0.060 0.000 0.235 434 S C 0.078 174.711 174.600 0.055 0.000 1.043 434 S CA -0.254 57.963 58.200 0.029 0.000 0.997 434 S CB 0.983 64.198 63.200 0.026 0.000 0.956 434 S HN 0.000 nan 8.310 nan 0.000 0.535 435 V N 2.092 122.040 119.914 0.056 0.000 2.588 435 V HA 0.505 4.661 4.120 0.060 0.000 0.304 435 V C -1.596 174.585 176.094 0.145 0.000 1.042 435 V CA -0.689 61.672 62.300 0.102 0.000 0.877 435 V CB 1.810 33.685 31.823 0.087 0.000 0.996 435 V HN 0.542 nan 8.190 nan 0.000 0.425 436 W N 4.251 125.531 121.300 -0.033 0.000 2.329 436 W HA 0.513 5.210 4.660 0.061 0.000 0.312 436 W C 0.117 176.587 176.519 -0.082 0.000 1.054 436 W CA -1.228 56.068 57.345 -0.082 0.000 1.245 436 W CB 0.960 30.349 29.460 -0.118 0.000 1.255 436 W HN 0.636 nan 8.180 nan 0.000 0.436 437 E N 3.071 123.419 120.200 0.245 0.000 2.316 437 E HA -0.037 4.349 4.350 0.060 0.000 0.275 437 E C -0.454 176.166 176.600 0.032 0.000 1.029 437 E CA -0.227 56.245 56.400 0.119 0.000 0.871 437 E CB 1.072 30.835 29.700 0.106 0.000 1.022 437 E HN 0.211 nan 8.360 nan 0.000 0.418 438 D N 2.675 123.142 120.400 0.111 0.000 2.371 438 D HA -0.035 4.641 4.640 0.060 0.000 0.256 438 D C 0.821 177.232 176.300 0.187 0.000 1.193 438 D CA -0.072 54.047 54.000 0.199 0.000 0.881 438 D CB 1.260 42.298 40.800 0.397 0.000 1.143 438 D HN 0.106 nan 8.370 nan 0.000 0.473 439 V N 4.370 124.358 119.914 0.122 0.000 2.469 439 V HA -0.267 3.889 4.120 0.060 0.000 0.251 439 V C 1.282 177.397 176.094 0.034 0.000 1.064 439 V CA 1.520 63.832 62.300 0.019 0.000 1.066 439 V CB -0.853 30.935 31.823 -0.059 0.000 0.667 439 V HN 0.645 nan 8.190 nan 0.000 0.461 440 Y N -0.366 120.119 120.300 0.309 0.000 2.471 440 Y HA 0.251 4.837 4.550 0.060 0.000 0.286 440 Y C 1.426 177.647 175.900 0.535 0.000 1.188 440 Y CA -0.159 58.193 58.100 0.421 0.000 1.286 440 Y CB -0.200 38.414 38.460 0.256 0.000 1.072 440 Y HN 0.187 nan 8.280 nan 0.000 0.517 441 R N -2.975 117.813 120.500 0.480 0.000 3.951 441 R HA -0.256 4.120 4.340 0.060 0.000 0.352 441 R C 0.558 177.215 176.300 0.595 0.000 1.178 441 R CA 0.757 57.124 56.100 0.445 0.000 0.949 441 R CB -2.564 27.921 30.300 0.309 0.000 1.452 441 R HN 0.438 nan 8.270 nan 0.000 0.540 442 C N -1.307 118.331 119.300 0.562 0.000 2.393 442 C HA 0.256 4.752 4.460 0.060 0.000 0.332 442 C C 0.886 176.052 174.990 0.294 0.000 1.423 442 C CA 0.279 59.592 59.018 0.491 0.000 2.097 442 C CB 0.759 28.803 27.740 0.506 0.000 2.274 442 C HN 0.223 nan 8.230 nan 0.000 0.570 443 V N 2.834 122.937 119.914 0.314 0.000 2.398 443 V HA 0.334 4.491 4.120 0.060 0.000 0.282 443 V C -1.358 175.003 176.094 0.446 0.000 1.014 443 V CA -0.363 62.071 62.300 0.224 0.000 0.838 443 V CB 1.086 32.814 31.823 -0.159 0.000 1.018 443 V HN 0.357 nan 8.190 nan 0.000 0.432 444 D N 3.013 123.590 120.400 0.294 0.000 2.358 444 D HA 0.598 5.274 4.640 0.060 0.000 0.244 444 D C 0.359 176.802 176.300 0.238 0.000 1.163 444 D CA 0.110 54.249 54.000 0.233 0.000 0.945 444 D CB 1.853 42.753 40.800 0.167 0.000 1.152 444 D HN 0.668 nan 8.370 nan 0.000 0.451 445 A N 1.404 124.257 122.820 0.056 0.000 2.312 445 A HA 0.424 4.781 4.320 0.060 0.000 0.328 445 A C -0.103 177.583 177.584 0.170 0.000 1.158 445 A CA -0.752 51.340 52.037 0.093 0.000 0.821 445 A CB 0.543 19.461 19.000 -0.136 0.000 1.170 445 A HN 0.440 nan 8.150 nan 0.000 0.490 446 N N 0.476 119.278 118.700 0.169 0.000 2.456 446 N HA 0.495 5.271 4.740 0.060 0.000 0.288 446 N C -0.920 174.672 175.510 0.137 0.000 1.059 446 N CA -0.164 52.965 53.050 0.131 0.000 0.946 446 N CB 1.790 40.331 38.487 0.090 0.000 1.150 446 N HN 0.313 nan 8.380 nan 0.000 0.479 447 V N 0.456 120.440 119.914 0.117 0.000 2.715 447 V HA 0.864 5.020 4.120 0.060 0.000 0.310 447 V C -0.165 175.972 176.094 0.072 0.000 1.054 447 V CA -0.843 61.527 62.300 0.117 0.000 0.928 447 V CB 1.672 33.560 31.823 0.108 0.000 1.007 447 V HN 0.822 nan 8.190 nan 0.000 0.437 448 A N 2.453 125.314 122.820 0.068 0.000 2.475 448 A HA 0.734 5.091 4.320 0.060 0.000 0.301 448 A C 0.003 177.644 177.584 0.095 0.000 1.059 448 A CA -0.648 51.420 52.037 0.051 0.000 0.710 448 A CB 1.078 20.088 19.000 0.017 0.000 1.288 448 A HN 0.878 nan 8.150 nan 0.000 0.408 449 N N -0.837 117.910 118.700 0.078 0.000 2.688 449 N HA -0.167 4.610 4.740 0.060 0.000 0.258 449 N C -0.175 175.438 175.510 0.171 0.000 1.016 449 N CA 1.340 54.447 53.050 0.096 0.000 0.747 449 N CB -0.850 37.686 38.487 0.081 0.000 0.895 449 N HN 1.408 nan 8.380 nan 0.000 0.543 450 A N 0.058 122.944 122.820 0.111 0.000 2.423 450 A HA 0.757 5.113 4.320 0.060 0.000 0.304 450 A C -0.265 177.258 177.584 -0.102 0.000 1.104 450 A CA -0.655 51.397 52.037 0.025 0.000 0.757 450 A CB 2.121 21.139 19.000 0.030 0.000 1.313 450 A HN 0.277 nan 8.150 nan 0.000 0.423 451 E N 0.781 120.858 120.200 -0.206 0.000 2.293 451 E HA 0.473 4.859 4.350 0.060 0.000 0.270 451 E C -0.774 175.662 176.600 -0.274 0.000 0.879 451 E CA -0.721 55.565 56.400 -0.189 0.000 0.756 451 E CB 1.324 30.942 29.700 -0.136 0.000 1.208 451 E HN 0.640 nan 8.360 nan 0.000 0.428 452 R N 1.493 121.848 120.500 -0.241 0.000 2.543 452 R HA 0.309 4.686 4.340 0.060 0.000 0.277 452 R C -0.025 176.147 176.300 -0.214 0.000 1.074 452 R CA -0.220 55.710 56.100 -0.283 0.000 1.076 452 R CB 0.925 31.067 30.300 -0.263 0.000 0.993 452 R HN 0.413 nan 8.270 nan 0.000 0.459 453 V N -0.074 119.710 119.914 -0.217 0.000 3.141 453 V HA 0.553 4.709 4.120 0.060 0.000 0.312 453 V C -2.652 173.430 176.094 -0.020 0.000 1.157 453 V CA -3.220 59.016 62.300 -0.107 0.000 1.041 453 V CB 1.979 33.738 31.823 -0.107 0.000 1.071 453 V HN 0.542 nan 8.190 nan 0.000 0.441 454 P HA 0.229 nan 4.420 nan 0.000 0.261 454 P C -0.043 177.387 177.300 0.216 0.000 1.183 454 P CA 0.774 64.010 63.100 0.227 0.000 0.761 454 P CB -0.082 31.675 31.700 0.096 0.000 0.785 455 N N 1.209 120.165 118.700 0.426 0.000 2.800 455 N HA -0.165 4.611 4.740 0.060 0.000 0.250 455 N C 0.578 176.213 175.510 0.208 0.000 1.078 455 N CA 1.771 54.979 53.050 0.264 0.000 0.804 455 N CB -1.449 37.151 38.487 0.189 0.000 1.135 455 N HN 0.713 nan 8.380 nan 0.000 0.565 456 G N -1.347 107.486 108.800 0.055 0.000 2.441 456 G HA2 0.525 4.521 3.960 0.060 0.000 0.225 456 G HA3 0.525 4.521 3.960 0.060 0.000 0.225 456 G C -1.865 172.735 174.900 -0.499 0.000 1.200 456 G CA -0.531 44.531 45.100 -0.062 0.000 0.947 456 G HN 0.115 nan 8.290 nan 0.000 0.484 457 L N 0.197 121.013 121.223 -0.678 0.000 2.434 457 L HA 0.637 5.013 4.340 0.060 0.000 0.260 457 L C -0.561 175.754 176.870 -0.925 0.000 0.983 457 L CA -0.841 53.465 54.840 -0.890 0.000 0.820 457 L CB 2.733 44.022 42.059 -1.284 0.000 1.361 457 L HN 0.626 nan 8.230 nan 0.000 0.410 458 K N 1.873 121.817 120.400 -0.759 0.000 2.244 458 K HA 0.618 4.974 4.320 0.060 0.000 0.260 458 K C -1.597 174.641 176.600 -0.603 0.000 0.951 458 K CA -0.358 55.583 56.287 -0.576 0.000 0.826 458 K CB 1.060 33.401 32.500 -0.264 0.000 1.108 458 K HN 0.337 nan 8.250 nan 0.000 0.433 459 F N 2.860 122.792 119.950 -0.030 0.000 2.421 459 F HA 0.379 4.942 4.527 0.060 0.000 0.337 459 F C 0.496 176.302 175.800 0.010 0.000 1.105 459 F CA -0.857 57.136 58.000 -0.011 0.000 1.049 459 F CB 1.523 40.535 39.000 0.021 0.000 1.139 459 F HN 0.484 nan 8.300 nan 0.000 0.479 460 N N 2.176 120.995 118.700 0.199 0.000 2.616 460 N HA 0.514 5.290 4.740 0.060 0.000 0.281 460 N C -0.823 174.744 175.510 0.096 0.000 1.145 460 N CA 0.031 53.153 53.050 0.120 0.000 0.919 460 N CB 1.672 40.201 38.487 0.070 0.000 1.509 460 N HN 0.951 nan 8.380 nan 0.000 0.537 461 G N 0.447 109.299 108.800 0.086 0.000 2.340 461 G HA2 0.001 3.998 3.960 0.060 0.000 0.527 461 G HA3 0.001 3.998 3.960 0.060 0.000 0.527 461 G C -1.400 173.529 174.900 0.048 0.000 1.381 461 G CA -0.656 44.479 45.100 0.058 0.000 1.001 461 G HN 0.361 nan 8.290 nan 0.000 0.626 462 V N 1.485 121.417 119.914 0.030 0.000 2.493 462 V HA 0.383 4.539 4.120 0.060 0.000 0.292 462 V C 1.887 177.985 176.094 0.007 0.000 1.016 462 V CA 2.211 64.521 62.300 0.016 0.000 1.097 462 V CB 0.486 32.314 31.823 0.008 0.000 0.947 462 V HN 2.740 nan 8.190 nan 0.000 0.479 463 G N 3.942 112.738 108.800 -0.007 0.000 2.153 463 G HA2 -0.176 3.820 3.960 0.060 0.000 0.252 463 G HA3 -0.176 3.820 3.960 0.060 0.000 0.252 463 G C 0.574 175.445 174.900 -0.048 0.000 0.994 463 G CA -0.105 44.978 45.100 -0.029 0.000 0.698 463 G HN 1.466 nan 8.290 nan 0.000 0.521 464 G N -0.136 108.651 108.800 -0.022 0.000 2.254 464 G HA2 0.658 4.654 3.960 0.060 0.000 0.253 464 G HA3 0.658 4.654 3.960 0.060 0.000 0.253 464 G C 0.733 175.393 174.900 -0.399 0.000 1.246 464 G CA 1.240 46.328 45.100 -0.021 0.000 0.946 464 G HN 1.773 nan 8.290 nan 0.000 0.474 465 G N 0.027 108.367 108.800 -0.768 0.000 2.343 465 G HA2 0.654 4.651 3.960 0.060 0.000 0.289 465 G HA3 0.654 4.651 3.960 0.060 0.000 0.289 465 G C -1.117 173.470 174.900 -0.522 0.000 1.295 465 G CA 0.012 44.314 45.100 -1.329 0.000 0.869 465 G HN 1.749 nan 8.290 nan 0.000 0.522 466 A N -1.104 121.599 122.820 -0.194 0.000 2.414 466 A HA 0.838 5.194 4.320 0.060 0.000 0.306 466 A C -0.938 176.774 177.584 0.212 0.000 1.054 466 A CA -0.578 51.550 52.037 0.150 0.000 0.724 466 A CB 2.134 21.405 19.000 0.453 0.000 1.267 466 A HN 1.671 nan 8.150 nan 0.000 0.418 467 V N 1.958 122.004 119.914 0.219 0.000 2.384 467 V HA 0.334 4.490 4.120 0.060 0.000 0.287 467 V C -1.138 175.177 176.094 0.368 0.000 1.020 467 V CA -0.357 62.117 62.300 0.289 0.000 0.850 467 V CB 1.289 33.175 31.823 0.106 0.000 0.987 467 V HN 0.835 nan 8.190 nan 0.000 0.436 468 W N 9.501 130.958 121.300 0.263 0.000 2.282 468 W HA 0.488 5.185 4.660 0.061 0.000 0.322 468 W C -2.450 174.203 176.519 0.223 0.000 1.011 468 W CA -3.189 54.308 57.345 0.254 0.000 1.392 468 W CB 1.182 30.836 29.460 0.324 0.000 1.215 468 W HN 0.350 nan 8.180 nan 0.000 0.394 469 P HA 0.054 nan 4.420 nan 0.000 0.271 469 P C 0.088 177.357 177.300 -0.052 0.000 1.216 469 P CA 0.336 63.496 63.100 0.101 0.000 0.776 469 P CB 2.250 33.970 31.700 0.034 0.000 0.881 470 V N 3.334 123.175 119.914 -0.122 0.000 4.255 470 V HA 0.144 4.301 4.120 0.060 0.000 0.186 470 V C 2.386 178.365 176.094 -0.192 0.000 1.068 470 V CA 1.262 63.423 62.300 -0.231 0.000 1.418 470 V CB -1.322 30.240 31.823 -0.436 0.000 1.876 470 V HN 0.474 nan 8.190 nan 0.000 0.469 471 A N -0.005 122.712 122.820 -0.172 0.000 2.019 471 A HA -0.180 4.176 4.320 0.060 0.000 0.219 471 A C 2.075 179.599 177.584 -0.100 0.000 1.164 471 A CA 1.620 53.578 52.037 -0.132 0.000 0.644 471 A CB -0.621 18.313 19.000 -0.111 0.000 0.805 471 A HN 0.524 nan 8.150 nan 0.000 0.449 472 R N -0.307 120.145 120.500 -0.079 0.000 2.341 472 R HA -0.103 4.273 4.340 0.060 0.000 0.213 472 R C 1.858 178.120 176.300 -0.064 0.000 1.082 472 R CA 0.962 57.025 56.100 -0.062 0.000 1.017 472 R CB -0.228 30.041 30.300 -0.052 0.000 0.860 472 R HN 0.700 nan 8.270 nan 0.000 0.473 473 Q N -0.241 119.502 119.800 -0.094 0.000 2.291 473 Q HA -0.045 4.331 4.340 0.060 0.000 0.206 473 Q C 1.172 177.127 176.000 -0.074 0.000 0.976 473 Q CA 0.825 56.569 55.803 -0.098 0.000 0.875 473 Q CB 0.154 28.793 28.738 -0.164 0.000 0.927 473 Q HN 0.527 nan 8.270 nan 0.000 0.450 474 G N 0.717 109.472 108.800 -0.075 0.000 2.742 474 G HA2 -0.441 3.556 3.960 0.060 0.000 0.255 474 G HA3 -0.441 3.556 3.960 0.060 0.000 0.255 474 G C 0.463 175.327 174.900 -0.061 0.000 1.322 474 G CA 0.327 45.394 45.100 -0.055 0.000 0.967 474 G HN 0.347 nan 8.290 nan 0.000 0.556 475 Q N 0.082 119.857 119.800 -0.041 0.000 2.020 475 Q HA 0.135 4.511 4.340 0.060 0.000 0.198 475 Q C 0.984 176.937 176.000 -0.078 0.000 0.974 475 Q CA 1.937 57.717 55.803 -0.037 0.000 0.829 475 Q CB -0.108 28.631 28.738 0.001 0.000 0.894 475 Q HN 0.569 nan 8.270 nan 0.000 0.433 476 T N 1.843 116.348 114.554 -0.081 0.000 2.733 476 T HA 0.378 4.764 4.350 0.060 0.000 0.294 476 T C -0.795 173.751 174.700 -0.256 0.000 0.956 476 T CA -0.383 61.597 62.100 -0.199 0.000 0.987 476 T CB 0.820 69.632 68.868 -0.094 0.000 0.920 476 T HN 0.162 nan 8.240 nan 0.000 0.470 477 R N 3.016 123.313 120.500 -0.339 0.000 2.666 477 R HA 0.262 4.638 4.340 0.060 0.000 0.275 477 R C 1.197 177.291 176.300 -0.344 0.000 1.266 477 R CA -0.395 55.529 56.100 -0.294 0.000 1.401 477 R CB 0.603 30.763 30.300 -0.234 0.000 1.145 477 R HN 0.520 nan 8.270 nan 0.000 0.581 478 R N 0.482 120.783 120.500 -0.331 0.000 2.280 478 R HA -0.052 4.324 4.340 0.060 0.000 0.207 478 R C 0.576 176.897 176.300 0.035 0.000 1.043 478 R CA 1.044 56.989 56.100 -0.258 0.000 1.006 478 R CB 0.309 30.477 30.300 -0.219 0.000 0.885 478 R HN 0.580 nan 8.270 nan 0.000 0.467 479 Y N -0.416 119.706 120.300 -0.296 0.000 2.658 479 Y HA 0.037 4.623 4.550 0.060 0.000 0.276 479 Y C 1.757 177.216 175.900 -0.735 0.000 1.167 479 Y CA -0.714 57.049 58.100 -0.563 0.000 1.230 479 Y CB 0.625 38.748 38.460 -0.561 0.000 1.144 479 Y HN 0.021 nan 8.280 nan 0.000 0.529 480 Q N 1.496 121.125 119.800 -0.285 0.000 2.234 480 Q HA -0.219 4.158 4.340 0.060 0.000 0.206 480 Q C 1.676 177.543 176.000 -0.221 0.000 0.980 480 Q CA 2.036 57.684 55.803 -0.257 0.000 0.869 480 Q CB -0.727 27.895 28.738 -0.193 0.000 0.912 480 Q HN 0.662 nan 8.270 nan 0.000 0.436 481 F N -1.326 118.592 119.950 -0.054 0.000 2.250 481 F HA -0.004 4.559 4.527 0.060 0.000 0.301 481 F C 1.858 177.710 175.800 0.086 0.000 1.077 481 F CA 0.836 58.840 58.000 0.007 0.000 1.348 481 F CB -0.980 38.014 39.000 -0.011 0.000 1.040 481 F HN 0.098 nan 8.300 nan 0.000 0.509 482 A N 1.220 123.672 122.820 -0.613 0.000 2.019 482 A HA -0.173 4.183 4.320 0.060 0.000 0.219 482 A C 1.991 179.638 177.584 0.106 0.000 1.164 482 A CA 1.553 53.475 52.037 -0.191 0.000 0.644 482 A CB -0.891 17.776 19.000 -0.554 0.000 0.805 482 A HN 0.542 nan 8.150 nan 0.000 0.449 483 N N -1.802 116.888 118.700 -0.016 0.000 2.453 483 N HA -0.131 4.645 4.740 0.060 0.000 0.183 483 N C 1.330 176.933 175.510 0.154 0.000 1.041 483 N CA 1.394 54.468 53.050 0.041 0.000 0.900 483 N CB -0.264 38.194 38.487 -0.049 0.000 0.961 483 N HN 0.737 nan 8.380 nan 0.000 0.443 484 Y N 1.388 121.723 120.300 0.057 0.000 2.396 484 Y HA 0.135 4.721 4.550 0.061 0.000 0.292 484 Y C 0.514 176.467 175.900 0.089 0.000 1.128 484 Y CA 0.391 58.527 58.100 0.060 0.000 1.194 484 Y CB 0.507 38.999 38.460 0.054 0.000 1.124 484 Y HN -0.078 nan 8.280 nan 0.000 0.543 485 R N -0.511 120.094 120.500 0.175 0.000 2.687 485 R HA 0.459 4.836 4.340 0.060 0.000 0.265 485 R C -1.913 174.590 176.300 0.338 0.000 1.048 485 R CA -0.604 55.524 56.100 0.047 0.000 0.884 485 R CB 1.105 31.329 30.300 -0.126 0.000 1.258 485 R HN 0.154 nan 8.270 nan 0.000 0.469 486 F N -1.876 118.133 119.950 0.099 0.000 2.741 486 F HA 0.687 5.250 4.527 0.060 0.000 0.311 486 F C -1.826 174.000 175.800 0.043 0.000 1.149 486 F CA -0.846 57.237 58.000 0.138 0.000 0.930 486 F CB 1.986 41.101 39.000 0.191 0.000 1.312 486 F HN 0.472 nan 8.300 nan 0.000 0.450 487 T N 2.822 117.535 114.554 0.266 0.000 2.848 487 T HA 0.652 5.038 4.350 0.060 0.000 0.285 487 T C -1.799 173.062 174.700 0.267 0.000 0.995 487 T CA -0.425 61.766 62.100 0.152 0.000 0.970 487 T CB 1.646 70.518 68.868 0.007 0.000 0.976 487 T HN 0.787 nan 8.240 nan 0.000 0.441 488 L N 4.570 125.920 121.223 0.211 0.000 2.356 488 L HA 0.818 5.195 4.340 0.060 0.000 0.277 488 L C -1.244 175.636 176.870 0.017 0.000 0.996 488 L CA -0.491 54.364 54.840 0.026 0.000 0.822 488 L CB 1.462 43.433 42.059 -0.146 0.000 1.256 488 L HN 0.473 nan 8.230 nan 0.000 0.413 489 V N 3.975 123.902 119.914 0.022 0.000 2.680 489 V HA 1.017 5.173 4.120 0.060 0.000 0.309 489 V C -0.246 175.841 176.094 -0.011 0.000 1.052 489 V CA -0.150 62.134 62.300 -0.026 0.000 0.908 489 V CB 1.392 33.248 31.823 0.056 0.000 1.001 489 V HN 1.019 nan 8.190 nan 0.000 0.431 490 A N 2.254 125.029 122.820 -0.075 0.000 2.612 490 A HA 0.822 5.179 4.320 0.060 0.000 0.293 490 A C -0.652 176.964 177.584 0.052 0.000 1.075 490 A CA -0.573 51.485 52.037 0.034 0.000 0.680 490 A CB 1.933 20.967 19.000 0.057 0.000 1.279 490 A HN 0.628 nan 8.150 nan 0.000 0.411 491 T N 1.292 115.944 114.554 0.162 0.000 2.794 491 T HA 0.622 5.009 4.350 0.060 0.000 0.280 491 T C -0.168 174.636 174.700 0.173 0.000 0.987 491 T CA -0.064 62.157 62.100 0.202 0.000 0.993 491 T CB 0.898 69.900 68.868 0.223 0.000 0.939 491 T HN 1.726 nan 8.240 nan 0.000 0.449 492 V N 0.977 120.998 119.914 0.179 0.000 2.962 492 V HA 1.000 5.156 4.120 0.060 0.000 0.313 492 V C -0.393 175.800 176.094 0.165 0.000 1.099 492 V CA -0.992 61.403 62.300 0.158 0.000 0.971 492 V CB 2.006 33.912 31.823 0.139 0.000 1.028 492 V HN 0.946 nan 8.190 nan 0.000 0.430 493 T N 1.434 116.046 114.554 0.097 0.000 2.893 493 T HA 0.740 5.127 4.350 0.060 0.000 0.293 493 T C -0.747 173.921 174.700 -0.054 0.000 1.027 493 T CA -0.668 61.476 62.100 0.073 0.000 0.988 493 T CB 1.672 70.585 68.868 0.074 0.000 1.043 493 T HN 0.756 nan 8.240 nan 0.000 0.461 494 I N 3.292 123.759 120.570 -0.171 0.000 2.325 494 I HA 0.301 4.507 4.170 0.060 0.000 0.291 494 I C 0.215 176.225 176.117 -0.179 0.000 1.019 494 I CA -0.469 60.600 61.300 -0.384 0.000 1.302 494 I CB 1.086 38.563 38.000 -0.871 0.000 1.401 494 I HN 0.777 nan 8.210 nan 0.000 0.485 495 D N 4.319 124.669 120.400 -0.083 0.000 2.324 495 D HA 0.083 4.759 4.640 0.060 0.000 0.212 495 D C 0.227 176.549 176.300 0.037 0.000 0.984 495 D CA 0.863 54.881 54.000 0.029 0.000 0.885 495 D CB 0.840 41.693 40.800 0.087 0.000 0.996 495 D HN 0.594 nan 8.370 nan 0.000 0.505 496 E N 0.195 120.428 120.200 0.055 0.000 2.331 496 E HA 0.387 4.773 4.350 0.060 0.000 0.275 496 E C -0.592 176.110 176.600 0.170 0.000 0.895 496 E CA -0.648 55.815 56.400 0.105 0.000 0.753 496 E CB 2.682 32.453 29.700 0.118 0.000 1.216 496 E HN -0.103 nan 8.360 nan 0.000 0.434 497 L N 3.509 124.841 121.223 0.181 0.000 2.485 497 L HA 0.203 4.579 4.340 0.060 0.000 0.275 497 L C -1.698 175.305 176.870 0.221 0.000 1.207 497 L CA -1.264 53.726 54.840 0.251 0.000 0.855 497 L CB -0.285 41.867 42.059 0.155 0.000 1.114 497 L HN 0.320 nan 8.230 nan 0.000 0.485 498 P HA 0.127 nan 4.420 nan 0.000 0.278 498 P C -0.149 177.188 177.300 0.063 0.000 1.258 498 P CA -0.703 62.469 63.100 0.120 0.000 0.811 498 P CB 1.324 33.017 31.700 -0.013 0.000 1.063 499 K N 0.215 120.632 120.400 0.028 0.000 2.057 499 K HA -0.029 4.328 4.320 0.060 0.000 0.206 499 K C 1.387 177.987 176.600 0.001 0.000 1.050 499 K CA 1.898 58.195 56.287 0.016 0.000 0.935 499 K CB -0.464 32.041 32.500 0.008 0.000 0.715 499 K HN 0.685 nan 8.250 nan 0.000 0.439 500 G N -1.039 107.749 108.800 -0.020 0.000 2.581 500 G HA2 0.167 4.163 3.960 0.060 0.000 0.194 500 G HA3 0.167 4.163 3.960 0.060 0.000 0.194 500 G C -0.595 174.270 174.900 -0.058 0.000 1.814 500 G CA -0.234 44.849 45.100 -0.030 0.000 0.745 500 G HN 0.188 nan 8.290 nan 0.000 0.802 501 T N 0.365 114.865 114.554 -0.091 0.000 2.885 501 T HA 0.696 5.082 4.350 0.060 0.000 0.285 501 T C -1.018 173.537 174.700 -0.241 0.000 1.019 501 T CA -0.189 61.818 62.100 -0.155 0.000 1.010 501 T CB 1.775 70.590 68.868 -0.087 0.000 1.022 501 T HN 0.372 nan 8.240 nan 0.000 0.466 502 S N 1.940 117.360 115.700 -0.465 0.000 2.546 502 S HA 0.708 5.214 4.470 0.060 0.000 0.274 502 S C -2.844 171.562 174.600 -0.323 0.000 1.121 502 S CA -1.511 56.438 58.200 -0.418 0.000 0.887 502 S CB 1.534 64.445 63.200 -0.481 0.000 1.094 502 S HN 0.358 nan 8.310 nan 0.000 0.474 503 P HA 0.369 nan 4.420 nan 0.000 0.277 503 P C -0.078 177.435 177.300 0.355 0.000 1.240 503 P CA -0.466 62.721 63.100 0.145 0.000 0.798 503 P CB 0.966 32.697 31.700 0.052 0.000 0.979 504 L N 2.013 123.489 121.223 0.422 0.000 2.664 504 L HA 0.554 4.930 4.340 0.060 0.000 0.198 504 L C -0.612 176.405 176.870 0.245 0.000 1.057 504 L CA 0.794 55.852 54.840 0.364 0.000 0.871 504 L CB 0.049 42.318 42.059 0.350 0.000 1.364 504 L HN 0.259 nan 8.230 nan 0.000 0.483 505 L N -0.170 121.128 121.223 0.125 0.000 2.549 505 L HA 0.770 5.146 4.340 0.060 0.000 0.259 505 L C -0.743 175.816 176.870 -0.518 0.000 0.934 505 L CA 0.594 55.328 54.840 -0.176 0.000 0.865 505 L CB 1.707 43.727 42.059 -0.065 0.000 1.352 505 L HN 0.296 nan 8.230 nan 0.000 0.410 506 G N 2.350 110.491 108.800 -1.098 0.000 2.342 506 G HA2 0.670 4.666 3.960 0.060 0.000 0.297 506 G HA3 0.670 4.666 3.960 0.060 0.000 0.297 506 G C -2.099 172.464 174.900 -0.562 0.000 1.313 506 G CA -0.145 44.477 45.100 -0.796 0.000 0.830 506 G HN 0.953 nan 8.290 nan 0.000 0.506 507 A N -0.477 122.286 122.820 -0.095 0.000 2.291 507 A HA 0.844 5.200 4.320 0.060 0.000 0.311 507 A C 0.519 178.087 177.584 -0.028 0.000 1.224 507 A CA 0.284 52.249 52.037 -0.119 0.000 0.821 507 A CB 0.865 19.795 19.000 -0.117 0.000 1.172 507 A HN 1.914 nan 8.150 nan 0.000 0.494 508 G N 1.061 109.760 108.800 -0.169 0.000 2.476 508 G HA2 0.549 4.545 3.960 0.060 0.000 0.286 508 G HA3 0.549 4.545 3.960 0.060 0.000 0.286 508 G C -0.467 174.366 174.900 -0.110 0.000 1.177 508 G CA -0.519 44.506 45.100 -0.124 0.000 0.870 508 G HN 0.692 nan 8.290 nan 0.000 0.528 509 L N 0.830 122.031 121.223 -0.037 0.000 2.334 509 L HA 0.385 4.761 4.340 0.060 0.000 0.273 509 L C 0.241 177.105 176.870 -0.011 0.000 1.013 509 L CA -1.013 53.806 54.840 -0.034 0.000 0.816 509 L CB 1.877 43.924 42.059 -0.020 0.000 1.278 509 L HN 0.413 nan 8.230 nan 0.000 0.431 510 E N 1.411 121.597 120.200 -0.023 0.000 2.408 510 E HA 0.492 4.878 4.350 0.060 0.000 0.259 510 E C 0.299 176.890 176.600 -0.016 0.000 1.110 510 E CA 0.429 56.819 56.400 -0.017 0.000 0.929 510 E CB 1.182 30.863 29.700 -0.032 0.000 0.971 510 E HN 0.791 nan 8.360 nan 0.000 0.438 511 G N 1.610 110.402 108.800 -0.013 0.000 2.371 511 G HA2 -0.050 3.947 3.960 0.060 0.000 0.663 511 G HA3 -0.050 3.947 3.960 0.060 0.000 0.663 511 G C -2.644 172.250 174.900 -0.010 0.000 1.311 511 G CA -1.103 43.990 45.100 -0.013 0.000 0.985 511 G HN 0.428 nan 8.290 nan 0.000 0.566 512 P HA 0.494 nan 4.420 nan 0.000 0.269 512 P C 1.137 178.431 177.300 -0.010 0.000 1.209 512 P CA 1.738 64.832 63.100 -0.009 0.000 0.776 512 P CB 0.603 32.298 31.700 -0.008 0.000 0.876 513 G N 2.342 111.135 108.800 -0.012 0.000 2.527 513 G HA2 -0.170 3.826 3.960 0.060 0.000 0.268 513 G HA3 -0.170 3.826 3.960 0.060 0.000 0.268 513 G C -0.720 174.170 174.900 -0.017 0.000 1.175 513 G CA 0.330 45.422 45.100 -0.014 0.000 0.962 513 G HN 0.846 nan 8.290 nan 0.000 0.560 514 D N -0.454 119.933 120.400 -0.020 0.000 2.968 514 D HA 0.598 5.274 4.640 0.060 0.000 0.301 514 D C 0.311 176.594 176.300 -0.027 0.000 1.226 514 D CA 0.618 54.601 54.000 -0.028 0.000 0.746 514 D CB 0.157 40.930 40.800 -0.045 0.000 1.278 514 D HN 1.285 nan 8.370 nan 0.000 0.544 515 A N 1.134 123.946 122.820 -0.013 0.000 2.371 515 A HA 0.560 4.916 4.320 0.060 0.000 0.257 515 A C 0.076 177.662 177.584 0.003 0.000 1.089 515 A CA -0.241 51.794 52.037 -0.004 0.000 0.794 515 A CB 0.687 19.688 19.000 0.001 0.000 1.029 515 A HN 0.286 nan 8.150 nan 0.000 0.488 516 K N 0.881 121.293 120.400 0.020 0.000 2.259 516 K HA 0.450 4.806 4.320 0.060 0.000 0.249 516 K C 0.527 177.163 176.600 0.059 0.000 0.942 516 K CA -0.723 55.596 56.287 0.054 0.000 0.816 516 K CB 1.775 34.335 32.500 0.100 0.000 1.155 516 K HN 0.474 nan 8.250 nan 0.000 0.428 517 L N 2.136 123.402 121.223 0.072 0.000 2.068 517 L HA 0.309 4.685 4.340 0.060 0.000 0.204 517 L C -0.484 176.456 176.870 0.117 0.000 1.076 517 L CA 1.482 56.376 54.840 0.089 0.000 0.753 517 L CB 0.156 42.280 42.059 0.109 0.000 0.910 517 L HN 0.571 nan 8.230 nan 0.000 0.439 518 L N -0.870 120.438 121.223 0.142 0.000 2.592 518 L HA 0.725 5.102 4.340 0.060 0.000 0.258 518 L C -0.662 176.264 176.870 0.092 0.000 0.926 518 L CA 0.525 55.435 54.840 0.116 0.000 0.885 518 L CB 1.503 43.670 42.059 0.182 0.000 1.380 518 L HN 0.172 nan 8.230 nan 0.000 0.415 519 G N 2.661 111.463 108.800 0.004 0.000 2.488 519 G HA2 0.582 4.578 3.960 0.060 0.000 0.301 519 G HA3 0.582 4.578 3.960 0.060 0.000 0.301 519 G C -2.710 172.168 174.900 -0.038 0.000 1.339 519 G CA -0.495 44.616 45.100 0.018 0.000 0.803 519 G HN 0.868 nan 8.290 nan 0.000 0.482 520 L N 0.212 121.454 121.223 0.031 0.000 2.464 520 L HA 0.854 5.230 4.340 0.060 0.000 0.266 520 L C -0.279 176.702 176.870 0.184 0.000 0.965 520 L CA -0.267 54.595 54.840 0.037 0.000 0.833 520 L CB 1.961 43.985 42.059 -0.059 0.000 1.296 520 L HN 0.647 nan 8.230 nan 0.000 0.405 521 S N 2.413 118.238 115.700 0.208 0.000 2.751 521 S HA 0.849 5.355 4.470 0.060 0.000 0.310 521 S C -1.521 173.310 174.600 0.385 0.000 1.128 521 S CA -0.318 58.024 58.200 0.236 0.000 0.931 521 S CB 1.681 64.927 63.200 0.076 0.000 1.177 521 S HN 0.610 nan 8.310 nan 0.000 0.530 522 Y N -0.461 119.947 120.300 0.179 0.000 2.588 522 Y HA 0.805 5.391 4.550 0.060 0.000 0.343 522 Y C -1.225 174.796 175.900 0.201 0.000 1.065 522 Y CA -1.230 56.978 58.100 0.180 0.000 1.038 522 Y CB 0.933 39.290 38.460 -0.172 0.000 1.297 522 Y HN 0.664 nan 8.280 nan 0.000 0.467 523 D N -0.083 120.520 120.400 0.337 0.000 2.566 523 D HA 0.231 4.907 4.640 0.060 0.000 0.254 523 D C 0.174 176.581 176.300 0.178 0.000 1.090 523 D CA -0.991 53.092 54.000 0.138 0.000 1.034 523 D CB 1.627 42.462 40.800 0.059 0.000 1.434 523 D HN 0.748 nan 8.370 nan 0.000 0.509 524 K N -0.381 120.056 120.400 0.061 0.000 2.360 524 K HA -0.061 4.295 4.320 0.060 0.000 0.201 524 K C 0.379 176.944 176.600 -0.057 0.000 1.046 524 K CA 0.789 57.094 56.287 0.031 0.000 0.945 524 K CB -0.360 32.146 32.500 0.010 0.000 0.750 524 K HN 0.148 nan 8.250 nan 0.000 0.464 525 N N 1.377 120.022 118.700 -0.092 0.000 2.383 525 N HA 0.043 4.819 4.740 0.060 0.000 0.192 525 N C -0.566 174.727 175.510 -0.361 0.000 1.141 525 N CA 0.157 53.105 53.050 -0.171 0.000 0.851 525 N CB 0.147 38.563 38.487 -0.118 0.000 0.976 525 N HN 0.231 nan 8.380 nan 0.000 0.465 526 R N 0.016 120.175 120.500 -0.568 0.000 3.531 526 R HA -0.178 4.199 4.340 0.060 0.000 0.280 526 R C -0.550 174.985 176.300 -1.274 0.000 1.130 526 R CA 0.621 55.843 56.100 -1.463 0.000 0.757 526 R CB -1.876 27.593 30.300 -1.385 0.000 1.218 526 R HN 0.428 nan 8.270 nan 0.000 0.454 527 Q N -0.633 118.874 119.800 -0.489 0.000 2.297 527 Q HA 0.343 4.719 4.340 0.060 0.000 0.268 527 Q C -0.304 175.784 176.000 0.148 0.000 1.045 527 Q CA -0.763 54.910 55.803 -0.217 0.000 0.861 527 Q CB 1.130 29.832 28.738 -0.059 0.000 1.344 527 Q HN 0.141 nan 8.270 nan 0.000 0.452 528 W N 0.768 122.264 121.300 0.328 0.000 2.251 528 W HA 0.357 5.053 4.660 0.061 0.000 0.329 528 W C 0.357 176.960 176.519 0.140 0.000 1.234 528 W CA -0.450 57.048 57.345 0.255 0.000 1.228 528 W CB 0.747 30.292 29.460 0.142 0.000 1.135 528 W HN 0.241 nan 8.180 nan 0.000 0.576 529 R N 3.139 123.876 120.500 0.395 0.000 2.443 529 R HA 0.235 4.611 4.340 0.060 0.000 0.287 529 R C -2.509 173.842 176.300 0.085 0.000 1.425 529 R CA -1.692 54.522 56.100 0.189 0.000 1.300 529 R CB 0.758 31.135 30.300 0.128 0.000 1.129 529 R HN 0.084 nan 8.270 nan 0.000 0.577 530 P HA 0.106 nan 4.420 nan 0.000 0.275 530 P C -0.640 176.383 177.300 -0.461 0.000 1.228 530 P CA -0.108 62.807 63.100 -0.308 0.000 0.786 530 P CB 1.164 32.584 31.700 -0.467 0.000 0.927 531 L N 3.705 124.637 121.223 -0.484 0.000 2.316 531 L HA 0.381 4.757 4.340 0.060 0.000 0.280 531 L C -0.355 176.298 176.870 -0.361 0.000 1.006 531 L CA -0.682 53.980 54.840 -0.296 0.000 0.836 531 L CB 0.752 42.764 42.059 -0.079 0.000 1.221 531 L HN 0.372 nan 8.230 nan 0.000 0.418 532 Y N 2.541 122.855 120.300 0.024 0.000 2.944 532 Y HA 0.487 5.073 4.550 0.060 0.000 0.335 532 Y C 1.227 177.133 175.900 0.012 0.000 1.075 532 Y CA -0.132 57.973 58.100 0.007 0.000 1.240 532 Y CB 1.152 39.605 38.460 -0.013 0.000 1.167 532 Y HN 0.907 nan 8.280 nan 0.000 0.555 533 G N 1.807 110.682 108.800 0.125 0.000 2.556 533 G HA2 -0.361 3.635 3.960 0.060 0.000 0.283 533 G HA3 -0.361 3.635 3.960 0.060 0.000 0.283 533 G C 1.023 175.962 174.900 0.065 0.000 1.177 533 G CA 0.247 45.399 45.100 0.085 0.000 0.978 533 G HN 0.822 nan 8.290 nan 0.000 0.554 534 A N 0.519 123.372 122.820 0.055 0.000 2.275 534 A HA 0.744 5.100 4.320 0.060 0.000 0.212 534 A C 1.566 179.178 177.584 0.046 0.000 1.201 534 A CA 1.579 53.640 52.037 0.040 0.000 0.843 534 A CB -0.596 18.420 19.000 0.027 0.000 0.873 534 A HN 2.407 nan 8.150 nan 0.000 0.492 535 A N 1.296 124.157 122.820 0.069 0.000 2.498 535 A HA 0.475 4.831 4.320 0.060 0.000 0.239 535 A C -2.185 175.441 177.584 0.070 0.000 1.068 535 A CA -0.843 51.239 52.037 0.076 0.000 0.766 535 A CB -0.556 18.513 19.000 0.116 0.000 1.003 535 A HN 0.254 nan 8.150 nan 0.000 0.497 536 P HA 0.204 nan 4.420 nan 0.000 0.261 536 P C -0.338 176.998 177.300 0.060 0.000 1.183 536 P CA 0.566 63.693 63.100 0.045 0.000 0.761 536 P CB 0.583 32.305 31.700 0.036 0.000 0.785 537 A N 3.190 126.036 122.820 0.044 0.000 2.922 537 A HA 0.379 4.735 4.320 0.060 0.000 0.298 537 A C 0.664 178.278 177.584 0.050 0.000 1.588 537 A CA -0.272 51.789 52.037 0.041 0.000 1.288 537 A CB -0.824 18.181 19.000 0.009 0.000 1.130 537 A HN 0.528 nan 8.150 nan 0.000 0.557 538 S N 2.192 117.935 115.700 0.071 0.000 2.580 538 S HA 0.566 5.072 4.470 0.060 0.000 0.274 538 S C -2.672 171.980 174.600 0.086 0.000 1.329 538 S CA -1.164 57.077 58.200 0.068 0.000 1.036 538 S CB 0.552 63.791 63.200 0.065 0.000 0.919 538 S HN 0.390 nan 8.310 nan 0.000 0.515 539 P HA 0.473 nan 4.420 nan 0.000 0.274 539 P C -0.457 176.907 177.300 0.106 0.000 1.231 539 P CA -0.239 62.920 63.100 0.099 0.000 0.790 539 P CB 0.968 32.705 31.700 0.062 0.000 0.951 540 T N 0.135 114.779 114.554 0.150 0.000 2.885 540 T HA 0.579 4.965 4.350 0.060 0.000 0.322 540 T C -0.180 174.636 174.700 0.193 0.000 1.387 540 T CA 0.500 62.689 62.100 0.148 0.000 1.041 540 T CB 0.529 69.492 68.868 0.158 0.000 1.287 540 T HN 0.754 nan 8.240 nan 0.000 0.491 541 G N 2.166 111.052 108.800 0.143 0.000 2.598 541 G HA2 0.114 4.110 3.960 0.060 0.000 0.244 541 G HA3 0.114 4.110 3.960 0.060 0.000 0.244 541 G C -0.145 174.781 174.900 0.044 0.000 1.302 541 G CA 0.260 45.458 45.100 0.164 0.000 0.903 541 G HN 1.750 nan 8.290 nan 0.000 0.575 542 S N -0.399 115.322 115.700 0.035 0.000 2.535 542 S HA 0.703 5.209 4.470 0.060 0.000 0.272 542 S C -0.987 173.527 174.600 -0.143 0.000 1.149 542 S CA 0.401 58.493 58.200 -0.179 0.000 0.888 542 S CB 0.761 63.909 63.200 -0.087 0.000 1.110 542 S HN 1.759 nan 8.310 nan 0.000 0.463 543 W N 2.130 123.216 121.300 -0.358 0.000 3.047 543 W HA 0.733 5.429 4.660 0.060 0.000 0.341 543 W C -1.305 175.154 176.519 -0.100 0.000 1.225 543 W CA -0.870 56.289 57.345 -0.311 0.000 1.150 543 W CB 0.407 29.280 29.460 -0.978 0.000 1.470 543 W HN 0.607 nan 8.180 nan 0.000 0.578 544 E N 1.350 121.865 120.200 0.526 0.000 2.256 544 E HA 0.444 4.830 4.350 0.060 0.000 0.267 544 E C -0.505 176.395 176.600 0.500 0.000 0.892 544 E CA -1.130 55.473 56.400 0.338 0.000 0.775 544 E CB 3.060 32.911 29.700 0.251 0.000 1.207 544 E HN 0.239 nan 8.360 nan 0.000 0.420 545 L N 2.433 123.820 121.223 0.272 0.000 2.483 545 L HA 0.013 4.389 4.340 0.060 0.000 0.276 545 L C 0.259 177.079 176.870 -0.084 0.000 1.213 545 L CA 0.655 55.485 54.840 -0.016 0.000 0.843 545 L CB -0.320 41.521 42.059 -0.362 0.000 1.107 545 L HN 0.834 nan 8.230 nan 0.000 0.487 546 H N -1.005 118.156 119.070 0.151 0.000 3.211 546 H HA -0.206 4.386 4.556 0.060 0.000 0.240 546 H C 0.039 175.406 175.328 0.066 0.000 1.148 546 H CA 1.135 57.237 56.048 0.089 0.000 1.160 546 H CB -1.006 28.798 29.762 0.070 0.000 1.232 546 H HN 0.475 nan 8.280 nan 0.000 0.321 547 K N 1.890 122.380 120.400 0.151 0.000 2.164 547 K HA 0.379 4.735 4.320 0.060 0.000 0.258 547 K C -0.487 176.033 176.600 -0.133 0.000 0.951 547 K CA -0.822 55.460 56.287 -0.009 0.000 0.844 547 K CB 0.998 33.463 32.500 -0.058 0.000 1.099 547 K HN 0.103 nan 8.250 nan 0.000 0.435 548 K N 3.118 123.414 120.400 -0.174 0.000 2.249 548 K HA 0.179 4.536 4.320 0.060 0.000 0.280 548 K C -1.012 175.421 176.600 -0.279 0.000 1.033 548 K CA -0.226 56.001 56.287 -0.100 0.000 0.946 548 K CB 0.610 33.104 32.500 -0.009 0.000 1.005 548 K HN 0.399 nan 8.250 nan 0.000 0.469 549 Y N -0.072 120.350 120.300 0.202 0.000 2.536 549 Y HA 0.195 4.781 4.550 0.060 0.000 0.347 549 Y C -0.239 175.803 175.900 0.237 0.000 1.000 549 Y CA -1.049 57.199 58.100 0.246 0.000 1.051 549 Y CB 1.700 40.323 38.460 0.271 0.000 1.259 549 Y HN 0.581 nan 8.280 nan 0.000 0.468 550 H N 1.137 120.399 119.070 0.320 0.000 2.488 550 H HA 0.693 5.285 4.556 0.060 0.000 0.322 550 H C -1.502 173.893 175.328 0.111 0.000 1.078 550 H CA -0.549 55.635 56.048 0.228 0.000 1.260 550 H CB 0.870 30.842 29.762 0.350 0.000 1.425 550 H HN 0.410 nan 8.280 nan 0.000 0.471 551 V N 6.361 126.119 119.914 -0.259 0.000 2.495 551 V HA 0.404 4.560 4.120 0.060 0.000 0.298 551 V C -0.709 175.197 176.094 -0.313 0.000 1.031 551 V CA -0.791 61.355 62.300 -0.257 0.000 0.871 551 V CB 1.719 33.425 31.823 -0.195 0.000 0.988 551 V HN 0.601 nan 8.190 nan 0.000 0.432 552 V N 6.098 125.914 119.914 -0.163 0.000 2.577 552 V HA 0.520 4.676 4.120 0.060 0.000 0.303 552 V C -0.559 175.572 176.094 0.061 0.000 1.042 552 V CA -0.480 61.773 62.300 -0.079 0.000 0.872 552 V CB 1.944 33.701 31.823 -0.110 0.000 0.998 552 V HN 0.660 nan 8.190 nan 0.000 0.423 553 L N 4.769 126.019 121.223 0.043 0.000 2.313 553 L HA 0.774 5.150 4.340 0.060 0.000 0.283 553 L C 0.135 177.000 176.870 -0.009 0.000 1.013 553 L CA -0.361 54.517 54.840 0.065 0.000 0.816 553 L CB 2.115 44.251 42.059 0.129 0.000 1.236 553 L HN 0.773 nan 8.230 nan 0.000 0.419 554 T N 0.715 115.234 114.554 -0.058 0.000 2.863 554 T HA 0.713 5.099 4.350 0.060 0.000 0.285 554 T C -0.510 173.960 174.700 -0.384 0.000 1.009 554 T CA -0.728 61.239 62.100 -0.222 0.000 0.989 554 T CB 2.470 71.298 68.868 -0.067 0.000 1.004 554 T HN 0.443 nan 8.240 nan 0.000 0.455 555 M N 2.525 121.739 119.600 -0.644 0.000 2.224 555 M HA 0.703 5.219 4.480 0.060 0.000 0.281 555 M C -1.880 174.188 176.300 -0.387 0.000 1.025 555 M CA -0.394 54.582 55.300 -0.540 0.000 0.954 555 M CB 1.292 33.426 32.600 -0.775 0.000 1.639 555 M HN 1.211 nan 8.290 nan 0.000 0.461 556 A N 3.531 126.194 122.820 -0.261 0.000 2.608 556 A HA 0.664 5.020 4.320 0.060 0.000 0.292 556 A C -0.642 176.811 177.584 -0.219 0.000 1.066 556 A CA -0.413 51.466 52.037 -0.264 0.000 0.676 556 A CB 0.870 19.727 19.000 -0.237 0.000 1.277 556 A HN 0.844 nan 8.150 nan 0.000 0.413 557 D N 0.548 120.791 120.400 -0.262 0.000 2.751 557 D HA -0.201 4.476 4.640 0.060 0.000 0.233 557 D C 0.609 176.841 176.300 -0.115 0.000 1.149 557 D CA 1.583 55.481 54.000 -0.169 0.000 0.682 557 D CB -0.854 39.874 40.800 -0.120 0.000 1.068 557 D HN 0.841 nan 8.370 nan 0.000 0.429 558 R N -2.409 118.022 120.500 -0.116 0.000 4.000 558 R HA -0.258 4.118 4.340 0.060 0.000 0.362 558 R C 0.099 176.360 176.300 -0.065 0.000 1.183 558 R CA 1.337 57.397 56.100 -0.068 0.000 1.011 558 R CB -1.538 28.740 30.300 -0.036 0.000 1.501 558 R HN 0.474 nan 8.270 nan 0.000 0.553 559 Q N -0.151 119.594 119.800 -0.092 0.000 2.256 559 Q HA 0.587 4.963 4.340 0.060 0.000 0.257 559 Q C 0.305 176.250 176.000 -0.092 0.000 0.936 559 Q CA -0.126 55.625 55.803 -0.086 0.000 0.903 559 Q CB 2.225 30.907 28.738 -0.093 0.000 1.263 559 Q HN 0.257 nan 8.270 nan 0.000 0.440 560 G N 0.702 109.468 108.800 -0.057 0.000 2.542 560 G HA2 0.596 4.593 3.960 0.060 0.000 0.311 560 G HA3 0.596 4.593 3.960 0.060 0.000 0.311 560 G C -0.995 173.911 174.900 0.010 0.000 1.298 560 G CA -0.322 44.765 45.100 -0.022 0.000 0.973 560 G HN 0.438 nan 8.290 nan 0.000 0.487 561 S N -0.674 115.028 115.700 0.003 0.000 2.548 561 S HA 0.695 5.201 4.470 0.060 0.000 0.286 561 S C -0.731 173.856 174.600 -0.022 0.000 1.098 561 S CA -0.518 57.655 58.200 -0.045 0.000 0.930 561 S CB 2.171 65.253 63.200 -0.197 0.000 1.070 561 S HN 0.560 nan 8.310 nan 0.000 0.480 562 V N 3.111 122.970 119.914 -0.091 0.000 2.444 562 V HA 0.485 4.641 4.120 0.060 0.000 0.294 562 V C -1.661 174.260 176.094 -0.288 0.000 1.022 562 V CA -0.602 61.630 62.300 -0.113 0.000 0.850 562 V CB 0.919 32.670 31.823 -0.120 0.000 0.992 562 V HN 0.844 nan 8.190 nan 0.000 0.426 563 Y N 3.073 123.297 120.300 -0.127 0.000 2.377 563 Y HA 0.703 5.289 4.550 0.060 0.000 0.339 563 Y C 0.008 175.777 175.900 -0.219 0.000 1.011 563 Y CA -0.985 57.027 58.100 -0.146 0.000 1.093 563 Y CB 2.098 40.490 38.460 -0.113 0.000 1.201 563 Y HN 0.348 nan 8.280 nan 0.000 0.455 564 V N 3.146 123.002 119.914 -0.097 0.000 2.448 564 V HA 0.242 4.398 4.120 0.060 0.000 0.295 564 V C -0.646 175.430 176.094 -0.031 0.000 1.025 564 V CA -1.139 61.066 62.300 -0.158 0.000 0.859 564 V CB 1.478 33.045 31.823 -0.426 0.000 0.988 564 V HN 0.876 nan 8.190 nan 0.000 0.431 565 D N 4.219 124.645 120.400 0.042 0.000 2.708 565 D HA -0.193 4.483 4.640 0.060 0.000 0.236 565 D C 1.314 177.096 176.300 -0.864 0.000 1.146 565 D CA 1.791 55.651 54.000 -0.235 0.000 0.662 565 D CB -1.097 39.736 40.800 0.054 0.000 1.059 565 D HN 1.433 nan 8.370 nan 0.000 0.428 566 G N -1.239 107.277 108.800 -0.474 0.000 2.184 566 G HA2 -0.327 3.669 3.960 0.060 0.000 0.264 566 G HA3 -0.327 3.669 3.960 0.060 0.000 0.264 566 G C 0.073 174.915 174.900 -0.096 0.000 0.975 566 G CA 0.407 45.272 45.100 -0.392 0.000 0.642 566 G HN 0.405 nan 8.290 nan 0.000 0.536 567 Q N 0.354 120.155 119.800 0.002 0.000 2.353 567 Q HA 0.472 4.849 4.340 0.060 0.000 0.268 567 Q C -2.575 173.456 176.000 0.051 0.000 1.045 567 Q CA -1.987 53.861 55.803 0.076 0.000 0.811 567 Q CB 2.821 31.555 28.738 -0.008 0.000 1.305 567 Q HN 0.298 nan 8.270 nan 0.000 0.447 568 P HA 0.141 nan 4.420 nan 0.000 0.271 568 P C -0.271 176.908 177.300 -0.202 0.000 1.216 568 P CA -0.127 62.712 63.100 -0.435 0.000 0.776 568 P CB 0.932 32.348 31.700 -0.474 0.000 0.881 569 L N 1.904 123.018 121.223 -0.182 0.000 2.436 569 L HA 0.330 4.707 4.340 0.060 0.000 0.265 569 L C 1.237 178.108 176.870 0.002 0.000 1.168 569 L CA -0.878 53.938 54.840 -0.040 0.000 0.815 569 L CB 0.378 42.436 42.059 -0.002 0.000 1.109 569 L HN 0.433 nan 8.230 nan 0.000 0.462 570 A N 1.719 124.562 122.820 0.037 0.000 2.587 570 A HA 0.347 4.704 4.320 0.060 0.000 0.235 570 A C 1.191 178.795 177.584 0.033 0.000 1.044 570 A CA 0.812 52.861 52.037 0.019 0.000 0.754 570 A CB -0.336 18.691 19.000 0.045 0.000 0.968 570 A HN 1.152 nan 8.150 nan 0.000 0.509 571 G N 1.491 110.209 108.800 -0.136 0.000 2.194 571 G HA2 -0.188 3.808 3.960 0.060 0.000 0.236 571 G HA3 -0.188 3.808 3.960 0.060 0.000 0.236 571 G C 0.563 174.870 174.900 -0.987 0.000 0.987 571 G CA 0.335 45.201 45.100 -0.391 0.000 0.635 571 G HN 1.199 nan 8.290 nan 0.000 0.520 572 S N -0.062 115.274 115.700 -0.608 0.000 2.593 572 S HA 0.498 5.004 4.470 0.060 0.000 0.269 572 S C 1.495 175.861 174.600 -0.390 0.000 1.334 572 S CA 1.307 59.186 58.200 -0.536 0.000 1.015 572 S CB 1.213 64.229 63.200 -0.308 0.000 0.912 572 S HN 2.099 nan 8.310 nan 0.000 0.541 573 G N 1.708 110.329 108.800 -0.298 0.000 2.157 573 G HA2 -0.185 3.811 3.960 0.060 0.000 0.239 573 G HA3 -0.185 3.811 3.960 0.060 0.000 0.239 573 G C -0.145 174.648 174.900 -0.177 0.000 0.982 573 G CA -0.427 44.557 45.100 -0.193 0.000 0.650 573 G HN 0.580 nan 8.290 nan 0.000 0.527 574 N N -0.034 118.531 118.700 -0.224 0.000 2.518 574 N HA 0.529 5.305 4.740 0.060 0.000 0.284 574 N C -0.016 175.431 175.510 -0.106 0.000 1.230 574 N CA -0.162 52.790 53.050 -0.163 0.000 0.941 574 N CB 0.700 39.072 38.487 -0.191 0.000 1.219 574 N HN 0.039 nan 8.380 nan 0.000 0.560 575 T N 0.658 115.169 114.554 -0.071 0.000 2.834 575 T HA 0.163 4.549 4.350 0.060 0.000 0.298 575 T C 1.528 176.220 174.700 -0.013 0.000 0.966 575 T CA -0.303 61.772 62.100 -0.041 0.000 1.141 575 T CB 0.357 69.206 68.868 -0.031 0.000 0.905 575 T HN 0.410 nan 8.240 nan 0.000 0.535 576 V N 1.779 121.695 119.914 0.004 0.000 3.645 576 V HA 0.439 4.595 4.120 0.060 0.000 0.275 576 V C 0.517 176.631 176.094 0.032 0.000 1.356 576 V CA -0.208 62.116 62.300 0.040 0.000 1.051 576 V CB 0.245 32.112 31.823 0.073 0.000 0.828 576 V HN 0.563 nan 8.190 nan 0.000 0.441 577 V N 1.393 121.315 119.914 0.015 0.000 2.531 577 V HA 0.798 4.955 4.120 0.060 0.000 0.301 577 V C -0.514 175.584 176.094 0.007 0.000 1.034 577 V CA -0.521 61.787 62.300 0.014 0.000 0.865 577 V CB 1.874 33.707 31.823 0.016 0.000 0.995 577 V HN 0.495 nan 8.190 nan 0.000 0.424 578 R N 3.812 124.317 120.500 0.008 0.000 2.758 578 R HA 0.957 5.333 4.340 0.060 0.000 0.265 578 R C 0.464 176.767 176.300 0.005 0.000 1.016 578 R CA 0.783 56.885 56.100 0.005 0.000 1.040 578 R CB 1.605 31.908 30.300 0.005 0.000 1.152 578 R HN 1.697 nan 8.270 nan 0.000 0.503 579 G N -0.147 108.656 108.800 0.005 0.000 2.627 579 G HA2 0.011 4.007 3.960 0.060 0.000 0.214 579 G HA3 0.011 4.007 3.960 0.060 0.000 0.214 579 G C -0.126 174.780 174.900 0.009 0.000 1.331 579 G CA -0.184 44.919 45.100 0.006 0.000 0.891 579 G HN 0.726 nan 8.290 nan 0.000 0.539 580 A N -1.471 121.355 122.820 0.010 0.000 2.324 580 A HA 0.616 4.973 4.320 0.060 0.000 0.220 580 A C 1.245 178.837 177.584 0.014 0.000 1.209 580 A CA 1.717 53.763 52.037 0.016 0.000 0.918 580 A CB 0.121 19.131 19.000 0.017 0.000 0.959 580 A HN 1.558 nan 8.150 nan 0.000 0.507 581 T N 1.900 116.457 114.554 0.006 0.000 2.870 581 T HA 0.334 4.721 4.350 0.060 0.000 0.300 581 T C 0.230 174.925 174.700 -0.009 0.000 0.989 581 T CA 0.017 62.114 62.100 -0.005 0.000 1.139 581 T CB 0.454 69.317 68.868 -0.009 0.000 0.920 581 T HN 0.262 nan 8.240 nan 0.000 0.537 582 L N 5.209 126.418 121.223 -0.024 0.000 2.525 582 L HA 0.134 4.511 4.340 0.060 0.000 0.278 582 L C -1.521 175.327 176.870 -0.035 0.000 1.218 582 L CA -1.558 53.267 54.840 -0.025 0.000 0.878 582 L CB 0.269 42.287 42.059 -0.069 0.000 1.127 582 L HN 0.452 nan 8.230 nan 0.000 0.492 583 P HA 0.033 nan 4.420 nan 0.000 0.271 583 P C -1.039 176.224 177.300 -0.061 0.000 1.244 583 P CA -0.160 62.923 63.100 -0.027 0.000 0.793 583 P CB 0.461 32.158 31.700 -0.005 0.000 0.984 584 D N 0.612 120.970 120.400 -0.070 0.000 2.378 584 D HA 0.287 4.963 4.640 0.060 0.000 0.265 584 D C -0.548 175.684 176.300 -0.113 0.000 1.229 584 D CA -0.340 53.602 54.000 -0.097 0.000 0.914 584 D CB -0.428 40.324 40.800 -0.080 0.000 1.140 584 D HN 0.134 nan 8.370 nan 0.000 0.516 585 I N 2.029 122.499 120.570 -0.167 0.000 2.556 585 I HA -0.003 4.204 4.170 0.060 0.000 0.284 585 I C 1.868 177.855 176.117 -0.217 0.000 1.114 585 I CA 0.093 61.254 61.300 -0.232 0.000 1.418 585 I CB 1.260 39.020 38.000 -0.400 0.000 1.394 585 I HN 0.341 nan 8.210 nan 0.000 0.552 586 S N 5.399 121.020 115.700 -0.131 0.000 2.377 586 S HA -0.012 4.494 4.470 0.060 0.000 0.223 586 S C 0.397 175.024 174.600 0.045 0.000 1.030 586 S CA 0.524 58.725 58.200 0.002 0.000 0.970 586 S CB -0.081 63.220 63.200 0.170 0.000 0.830 586 S HN 0.817 nan 8.310 nan 0.000 0.473 587 H N -1.605 117.317 119.070 -0.246 0.000 2.969 587 H HA 0.417 5.009 4.556 0.060 0.000 0.304 587 H C -1.945 173.193 175.328 -0.318 0.000 1.400 587 H CA -1.466 54.442 56.048 -0.232 0.000 1.182 587 H CB -0.354 29.403 29.762 -0.009 0.000 1.865 587 H HN 0.177 nan 8.280 nan 0.000 0.512 588 F N 1.827 121.779 119.950 0.003 0.000 2.394 588 F HA 0.339 4.902 4.527 0.060 0.000 0.340 588 F C 0.184 176.053 175.800 0.116 0.000 1.105 588 F CA -0.819 57.118 58.000 -0.105 0.000 1.124 588 F CB 0.874 39.852 39.000 -0.036 0.000 1.145 588 F HN 0.442 nan 8.300 nan 0.000 0.505 589 Y N 0.874 121.268 120.300 0.156 0.000 2.387 589 Y HA 0.826 5.412 4.550 0.060 0.000 0.336 589 Y C -1.043 174.969 175.900 0.187 0.000 1.067 589 Y CA -1.747 56.481 58.100 0.213 0.000 1.114 589 Y CB 0.852 39.398 38.460 0.143 0.000 1.208 589 Y HN 0.405 nan 8.280 nan 0.000 0.458 590 I N 3.842 124.576 120.570 0.273 0.000 2.468 590 I HA 0.619 4.826 4.170 0.060 0.000 0.285 590 I C 0.556 176.743 176.117 0.116 0.000 1.039 590 I CA -0.243 61.190 61.300 0.221 0.000 1.074 590 I CB 1.484 39.674 38.000 0.317 0.000 1.228 590 I HN 1.152 nan 8.210 nan 0.000 0.436 591 G N 4.614 113.521 108.800 0.178 0.000 2.512 591 G HA2 -0.150 3.846 3.960 0.060 0.000 0.254 591 G HA3 -0.150 3.846 3.960 0.060 0.000 0.254 591 G C 0.330 175.293 174.900 0.105 0.000 1.199 591 G CA -0.095 45.047 45.100 0.071 0.000 0.941 591 G HN 1.086 nan 8.290 nan 0.000 0.569 592 G N 1.357 110.135 108.800 -0.037 0.000 4.975 592 G HA2 0.719 4.715 3.960 0.060 0.000 0.312 592 G HA3 0.719 4.715 3.960 0.060 0.000 0.312 592 G C -1.940 172.921 174.900 -0.065 0.000 1.425 592 G CA 0.088 45.180 45.100 -0.013 0.000 1.076 592 G HN 0.673 nan 8.290 nan 0.000 0.586 593 P HA 0.449 nan 4.420 nan 0.000 0.272 593 P C -0.655 176.621 177.300 -0.041 0.000 1.223 593 P CA -0.098 62.969 63.100 -0.055 0.000 0.784 593 P CB 1.565 33.263 31.700 -0.003 0.000 0.923 594 R N -0.581 119.890 120.500 -0.049 0.000 2.739 594 R HA 0.424 4.800 4.340 0.060 0.000 0.266 594 R C -0.123 176.149 176.300 -0.047 0.000 1.044 594 R CA -0.690 55.378 56.100 -0.053 0.000 0.885 594 R CB -0.662 29.607 30.300 -0.052 0.000 1.260 594 R HN 0.329 nan 8.270 nan 0.000 0.477 595 S N -0.931 114.738 115.700 -0.050 0.000 2.666 595 S HA 0.328 4.834 4.470 0.060 0.000 0.239 595 S C 0.021 174.601 174.600 -0.033 0.000 1.031 595 S CA 0.235 58.411 58.200 -0.040 0.000 1.015 595 S CB -0.213 62.960 63.200 -0.045 0.000 0.981 595 S HN 0.823 nan 8.310 nan 0.000 0.547 596 K N -1.161 119.218 120.400 -0.035 0.000 2.614 596 K HA 0.658 5.014 4.320 0.060 0.000 0.293 596 K C 0.321 176.902 176.600 -0.031 0.000 1.045 596 K CA -0.606 55.663 56.287 -0.030 0.000 0.880 596 K CB 0.314 32.797 32.500 -0.029 0.000 1.552 596 K HN 0.661 nan 8.250 nan 0.000 0.404 597 G N 0.099 108.883 108.800 -0.027 0.000 2.593 597 G HA2 0.071 4.067 3.960 0.060 0.000 0.237 597 G HA3 0.071 4.067 3.960 0.060 0.000 0.237 597 G C -0.087 174.797 174.900 -0.027 0.000 1.312 597 G CA -0.141 44.942 45.100 -0.028 0.000 0.896 597 G HN 1.274 nan 8.290 nan 0.000 0.574 598 A N 1.252 124.054 122.820 -0.030 0.000 2.531 598 A HA 0.548 4.904 4.320 0.060 0.000 0.236 598 A C -1.007 176.561 177.584 -0.027 0.000 1.062 598 A CA 0.367 52.387 52.037 -0.028 0.000 0.760 598 A CB 0.071 19.051 19.000 -0.032 0.000 0.995 598 A HN 0.847 nan 8.150 nan 0.000 0.501 599 P HA 0.116 nan 4.420 nan 0.000 0.220 599 P C -0.269 177.025 177.300 -0.011 0.000 1.806 599 P CA -0.110 62.982 63.100 -0.014 0.000 0.976 599 P CB -0.693 31.003 31.700 -0.007 0.000 1.952 600 T N 1.500 116.042 114.554 -0.020 0.000 2.946 600 T HA 0.022 4.408 4.350 0.060 0.000 0.312 600 T C 0.249 174.951 174.700 0.003 0.000 1.066 600 T CA 0.884 62.974 62.100 -0.017 0.000 1.138 600 T CB 0.084 68.931 68.868 -0.035 0.000 1.014 600 T HN 0.238 nan 8.240 nan 0.000 0.544 601 D N 1.790 122.205 120.400 0.024 0.000 2.364 601 D HA 0.164 4.840 4.640 0.060 0.000 0.251 601 D C -0.838 175.520 176.300 0.097 0.000 1.282 601 D CA -0.430 53.602 54.000 0.054 0.000 0.927 601 D CB 0.566 41.397 40.800 0.051 0.000 1.267 601 D HN 0.287 nan 8.370 nan 0.000 0.531 602 S N 2.940 118.716 115.700 0.126 0.000 2.448 602 S HA 0.300 4.807 4.470 0.060 0.000 0.279 602 S C 0.425 175.177 174.600 0.252 0.000 1.195 602 S CA -0.640 57.701 58.200 0.235 0.000 1.051 602 S CB 0.768 64.129 63.200 0.269 0.000 0.948 602 S HN 0.194 nan 8.310 nan 0.000 0.493 603 R N 3.285 123.930 120.500 0.242 0.000 2.891 603 R HA 0.250 4.627 4.340 0.060 0.000 0.248 603 R C -0.080 176.291 176.300 0.117 0.000 1.439 603 R CA -0.104 56.102 56.100 0.175 0.000 1.288 603 R CB -0.731 29.653 30.300 0.141 0.000 1.212 603 R HN 0.522 nan 8.270 nan 0.000 0.605 604 V N -1.811 118.199 119.914 0.159 0.000 3.102 604 V HA 0.707 4.863 4.120 0.060 0.000 0.312 604 V C -0.172 175.978 176.094 0.093 0.000 1.135 604 V CA -0.771 61.578 62.300 0.081 0.000 1.022 604 V CB 2.608 34.476 31.823 0.075 0.000 1.056 604 V HN 0.294 nan 8.190 nan 0.000 0.436 605 T N 1.614 116.183 114.554 0.025 0.000 2.841 605 T HA 0.728 5.114 4.350 0.060 0.000 0.285 605 T C -0.835 173.881 174.700 0.026 0.000 0.991 605 T CA -0.353 61.705 62.100 -0.069 0.000 0.966 605 T CB 1.481 70.312 68.868 -0.061 0.000 0.962 605 T HN 0.798 nan 8.240 nan 0.000 0.438 606 V N 3.725 123.658 119.914 0.031 0.000 2.656 606 V HA 0.800 4.956 4.120 0.060 0.000 0.307 606 V C 0.130 176.380 176.094 0.261 0.000 1.051 606 V CA -0.831 61.598 62.300 0.215 0.000 0.893 606 V CB 2.121 34.192 31.823 0.413 0.000 0.999 606 V HN 1.096 nan 8.190 nan 0.000 0.426 607 T N 0.101 114.813 114.554 0.264 0.000 2.906 607 T HA 0.539 4.925 4.350 0.060 0.000 0.295 607 T C -0.234 174.634 174.700 0.281 0.000 1.075 607 T CA -0.822 61.454 62.100 0.294 0.000 1.005 607 T CB 1.239 70.223 68.868 0.194 0.000 1.136 607 T HN 0.725 nan 8.240 nan 0.000 0.498 608 N N -0.229 118.640 118.700 0.282 0.000 2.642 608 N HA -0.103 4.674 4.740 0.060 0.000 0.269 608 N C -0.684 175.013 175.510 0.312 0.000 1.073 608 N CA 0.012 53.277 53.050 0.358 0.000 0.748 608 N CB -0.971 37.764 38.487 0.413 0.000 0.894 608 N HN 0.571 nan 8.380 nan 0.000 0.548 609 V N 1.395 121.374 119.914 0.108 0.000 2.432 609 V HA 0.361 4.517 4.120 0.060 0.000 0.271 609 V C 0.675 176.886 176.094 0.195 0.000 1.046 609 V CA -0.459 61.850 62.300 0.015 0.000 0.945 609 V CB 1.407 33.027 31.823 -0.338 0.000 0.992 609 V HN 0.117 nan 8.190 nan 0.000 0.471 610 V N 6.214 126.238 119.914 0.183 0.000 2.555 610 V HA 0.580 4.736 4.120 0.060 0.000 0.302 610 V C -0.480 175.637 176.094 0.038 0.000 1.038 610 V CA -0.755 61.610 62.300 0.109 0.000 0.887 610 V CB 1.823 33.616 31.823 -0.051 0.000 0.991 610 V HN 0.663 nan 8.190 nan 0.000 0.434 611 L N 4.889 126.043 121.223 -0.116 0.000 2.356 611 L HA 0.719 5.095 4.340 0.060 0.000 0.277 611 L C -1.446 175.160 176.870 -0.440 0.000 0.996 611 L CA -0.125 54.547 54.840 -0.281 0.000 0.822 611 L CB 1.488 43.184 42.059 -0.605 0.000 1.256 611 L HN 0.575 nan 8.230 nan 0.000 0.413 612 Y N 2.491 122.697 120.300 -0.158 0.000 2.509 612 Y HA 0.384 4.970 4.550 0.060 0.000 0.341 612 Y C 0.652 176.436 175.900 -0.192 0.000 1.038 612 Y CA -0.697 57.284 58.100 -0.199 0.000 1.089 612 Y CB 1.463 39.834 38.460 -0.149 0.000 1.241 612 Y HN 0.709 nan 8.280 nan 0.000 0.468 613 N N 1.883 120.405 118.700 -0.296 0.000 2.389 613 N HA 0.130 4.907 4.740 0.060 0.000 0.237 613 N C -0.652 174.784 175.510 -0.125 0.000 1.148 613 N CA -0.380 52.343 53.050 -0.545 0.000 0.854 613 N CB -0.067 37.663 38.487 -1.261 0.000 1.115 613 N HN 0.788 nan 8.380 nan 0.000 0.492 614 R N -2.174 118.320 120.500 -0.010 0.000 2.728 614 R HA 0.393 4.769 4.340 0.060 0.000 0.274 614 R C -1.339 174.919 176.300 -0.070 0.000 1.030 614 R CA -1.084 54.995 56.100 -0.035 0.000 0.876 614 R CB 1.003 31.268 30.300 -0.060 0.000 1.259 614 R HN 0.040 nan 8.270 nan 0.000 0.468 615 R N 1.996 122.425 120.500 -0.118 0.000 2.216 615 R HA 0.325 4.701 4.340 0.060 0.000 0.332 615 R C -0.500 175.694 176.300 -0.178 0.000 1.056 615 R CA -0.461 55.545 56.100 -0.156 0.000 0.901 615 R CB 0.564 30.772 30.300 -0.154 0.000 1.039 615 R HN 0.565 nan 8.270 nan 0.000 0.456 616 L N 3.988 125.067 121.223 -0.240 0.000 2.461 616 L HA 0.070 4.446 4.340 0.060 0.000 0.272 616 L C 0.618 177.354 176.870 -0.224 0.000 1.197 616 L CA -0.344 54.318 54.840 -0.297 0.000 0.836 616 L CB 0.373 42.189 42.059 -0.405 0.000 1.105 616 L HN 0.816 nan 8.230 nan 0.000 0.477 617 N N -0.311 118.272 118.700 -0.195 0.000 2.413 617 N HA 0.068 4.844 4.740 0.060 0.000 0.266 617 N C 0.750 176.162 175.510 -0.162 0.000 1.238 617 N CA -0.132 52.829 53.050 -0.149 0.000 0.972 617 N CB 0.558 38.978 38.487 -0.112 0.000 1.210 617 N HN 0.565 nan 8.380 nan 0.000 0.547 618 S N -1.166 114.460 115.700 -0.123 0.000 2.382 618 S HA -0.220 4.286 4.470 0.060 0.000 0.228 618 S C 1.872 176.407 174.600 -0.109 0.000 1.027 618 S CA 1.257 59.384 58.200 -0.123 0.000 0.991 618 S CB -1.013 62.146 63.200 -0.068 0.000 0.823 618 S HN 0.661 nan 8.310 nan 0.000 0.469 619 S N 1.586 117.233 115.700 -0.089 0.000 2.382 619 S HA -0.132 4.374 4.470 0.060 0.000 0.228 619 S C 1.888 176.435 174.600 -0.087 0.000 1.027 619 S CA 1.358 59.515 58.200 -0.072 0.000 0.991 619 S CB -0.540 62.624 63.200 -0.061 0.000 0.823 619 S HN 0.716 nan 8.310 nan 0.000 0.469 620 E N 0.326 120.452 120.200 -0.124 0.000 2.107 620 E HA -0.020 4.367 4.350 0.060 0.000 0.191 620 E C 2.028 178.541 176.600 -0.144 0.000 0.982 620 E CA 1.233 57.543 56.400 -0.149 0.000 0.809 620 E CB -0.174 29.395 29.700 -0.218 0.000 0.756 620 E HN 0.560 nan 8.360 nan 0.000 0.459 621 I N 0.790 121.255 120.570 -0.174 0.000 2.252 621 I HA -0.266 3.940 4.170 0.060 0.000 0.245 621 I C 2.718 178.807 176.117 -0.046 0.000 1.102 621 I CA 0.988 62.190 61.300 -0.163 0.000 1.385 621 I CB -0.203 37.579 38.000 -0.363 0.000 1.064 621 I HN 0.037 nan 8.210 nan 0.000 0.414 622 R N 0.610 121.085 120.500 -0.043 0.000 2.081 622 R HA -0.160 4.216 4.340 0.060 0.000 0.235 622 R C 2.257 178.587 176.300 0.051 0.000 1.131 622 R CA 2.093 58.226 56.100 0.055 0.000 0.960 622 R CB -0.299 30.021 30.300 0.033 0.000 0.856 622 R HN 0.232 nan 8.270 nan 0.000 0.436 623 T N 1.653 116.198 114.554 -0.016 0.000 2.684 623 T HA -0.136 4.250 4.350 0.060 0.000 0.267 623 T C 1.792 176.458 174.700 -0.056 0.000 1.036 623 T CA 1.491 63.566 62.100 -0.040 0.000 1.148 623 T CB -0.148 68.688 68.868 -0.052 0.000 0.863 623 T HN 0.184 nan 8.240 nan 0.000 0.436 624 L N -0.042 121.160 121.223 -0.034 0.000 2.046 624 L HA -0.047 4.329 4.340 0.060 0.000 0.208 624 L C 2.334 179.048 176.870 -0.260 0.000 1.077 624 L CA 1.326 56.148 54.840 -0.030 0.000 0.747 624 L CB -0.588 41.550 42.059 0.132 0.000 0.896 624 L HN 0.228 nan 8.230 nan 0.000 0.432 625 F N 0.873 120.524 119.950 -0.498 0.000 2.161 625 F HA -0.209 4.354 4.527 0.060 0.000 0.300 625 F C 2.029 177.618 175.800 -0.352 0.000 1.089 625 F CA 1.515 59.088 58.000 -0.711 0.000 1.282 625 F CB -0.235 38.579 39.000 -0.310 0.000 1.010 625 F HN -0.092 nan 8.300 nan 0.000 0.485 626 L N -0.162 120.820 121.223 -0.402 0.000 2.492 626 L HA 0.002 4.378 4.340 0.060 0.000 0.223 626 L C 1.743 178.445 176.870 -0.281 0.000 1.132 626 L CA 0.959 55.542 54.840 -0.428 0.000 0.850 626 L CB -0.500 41.425 42.059 -0.223 0.000 0.966 626 L HN 0.304 nan 8.230 nan 0.000 0.454 627 S N -2.541 113.034 115.700 -0.209 0.000 2.601 627 S HA 0.108 4.614 4.470 0.060 0.000 0.244 627 S C 1.221 175.772 174.600 -0.081 0.000 1.001 627 S CA -0.564 57.562 58.200 -0.123 0.000 0.984 627 S CB 0.378 63.528 63.200 -0.082 0.000 0.842 627 S HN 0.318 nan 8.310 nan 0.000 0.474 628 Q N 1.235 120.966 119.800 -0.115 0.000 2.226 628 Q HA -0.087 4.289 4.340 0.060 0.000 0.204 628 Q C 0.684 176.701 176.000 0.028 0.000 0.975 628 Q CA 1.368 57.163 55.803 -0.013 0.000 0.866 628 Q CB -0.120 28.611 28.738 -0.013 0.000 0.915 628 Q HN 0.546 nan 8.270 nan 0.000 0.440 629 D N -0.656 119.737 120.400 -0.011 0.000 2.340 629 D HA 0.043 4.719 4.640 0.060 0.000 0.220 629 D C 1.024 177.340 176.300 0.027 0.000 1.039 629 D CA 0.596 54.603 54.000 0.012 0.000 0.866 629 D CB 0.330 41.122 40.800 -0.015 0.000 0.913 629 D HN 0.338 nan 8.370 nan 0.000 0.523 630 M N -0.366 119.251 119.600 0.027 0.000 2.308 630 M HA 0.222 4.739 4.480 0.060 0.000 0.269 630 M C 1.680 178.030 176.300 0.083 0.000 1.040 630 M CA 0.195 55.516 55.300 0.035 0.000 1.024 630 M CB 0.755 33.348 32.600 -0.011 0.000 1.465 630 M HN -0.042 nan 8.290 nan 0.000 0.517 631 I N -2.392 118.254 120.570 0.126 0.000 3.968 631 I HA 0.408 4.615 4.170 0.060 0.000 0.328 631 I C 1.029 177.372 176.117 0.376 0.000 1.290 631 I CA -0.457 60.963 61.300 0.201 0.000 1.163 631 I CB -0.366 37.708 38.000 0.123 0.000 1.024 631 I HN -0.004 nan 8.210 nan 0.000 0.413 632 G N 1.500 110.475 108.800 0.292 0.000 2.544 632 G HA2 0.244 4.241 3.960 0.060 0.000 0.242 632 G HA3 0.244 4.241 3.960 0.060 0.000 0.242 632 G C 0.958 175.967 174.900 0.181 0.000 1.247 632 G CA 0.422 45.677 45.100 0.258 0.000 0.840 632 G HN 0.405 nan 8.290 nan 0.000 0.578 633 T N -2.646 111.959 114.554 0.086 0.000 3.100 633 T HA 0.457 4.843 4.350 0.060 0.000 0.253 633 T C 0.834 175.496 174.700 -0.064 0.000 1.118 633 T CA 1.462 63.570 62.100 0.013 0.000 1.058 633 T CB -0.903 67.948 68.868 -0.029 0.000 0.953 633 T HN 1.808 nan 8.240 nan 0.000 0.515 634 D N 0.000 120.321 120.400 -0.131 0.000 6.856 634 D HA 0.000 4.676 4.640 0.060 0.000 0.175 634 D CA 0.000 53.780 54.000 -0.366 0.000 0.868 634 D CB 0.000 40.655 40.800 -0.242 0.000 0.688 634 D HN 0.000 nan 8.370 nan 0.000 0.683