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 2e28_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRKTKIVST IGPASESVDK LVQLMEAGMN VARLNFSHGD HEEHGRRIAN DATA SEQUENCE IREAAKRTGR TVAILLDTKG PEIRTHNMEN GAIELKEGSK LVISMSEVLG DATA SEQUENCE TPEKISVTYP SLIDDVSVGA KILLDDGLIS LEVNAVDKQA GEIVTTVLNG DATA SEQUENCE GVLKNKKGVN VPGVKVNLPG ITEKDRADIL FGIRQGIDFI AASFVRRASD DATA SEQUENCE VLEIRELLEA HDALHIQIIA KIENEEGVAN IDEILEAADG LMVARGDLGV DATA SEQUENCE EIPAEEVPLI QKLLIKKSNM LGKPVITATQ MLDSMQRNPR PTRAEASDVA DATA SEQUENCE NAIFDGTDAV MLSGETAAGQ YPVEAVKTMH QIALRTEQAL EHRDILSQRT DATA SEQUENCE KESQTTITDA IGQSVAHTAL NLDVAAIVTP TVSGKTPQMV AKYRPKAPII DATA SEQUENCE AVTSNEAVSR RLALVWGVYT KEAPHVNTTD EMLDVAVDAA VRSGLVKHGD DATA SEQUENCE LVVITAGVPV GETGSTNLMK VHVISDLLAK GQGIGRKSAF GKAVVAKTAE DATA SEQUENCE EARQKMVDGG ILVTVSTDAD MMPAIEKAAA IITEEGGLTS HAAVVGLSLG DATA SEQUENCE IPVIVGVENA TTLFKDGQEI TVDGGFGAVY RGHASVL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.235 176.300 -0.108 0.000 1.140 1 M CA 0.000 55.254 55.300 -0.077 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.048 0.000 1.302 2 K N 2.326 122.642 120.400 -0.140 0.000 2.375 2 K HA 0.658 4.978 4.320 0.000 0.000 0.249 2 K C -0.870 175.664 176.600 -0.110 0.000 0.942 2 K CA -1.131 55.050 56.287 -0.176 0.000 0.806 2 K CB 2.816 35.049 32.500 -0.446 0.000 1.227 2 K HN 0.755 nan 8.250 nan 0.000 0.430 3 R N 1.958 122.405 120.500 -0.089 0.000 2.623 3 R HA 0.002 4.342 4.340 0.000 0.000 0.271 3 R C 0.339 176.571 176.300 -0.114 0.000 1.043 3 R CA 0.329 56.346 56.100 -0.137 0.000 1.083 3 R CB 0.528 30.729 30.300 -0.165 0.000 0.974 3 R HN 0.522 nan 8.270 nan 0.000 0.436 4 K N 1.597 121.803 120.400 -0.322 0.000 2.172 4 K HA -0.002 4.318 4.320 0.000 0.000 0.203 4 K C 0.684 176.892 176.600 -0.654 0.000 1.040 4 K CA 1.041 56.883 56.287 -0.740 0.000 0.974 4 K CB -0.284 31.351 32.500 -1.442 0.000 0.857 4 K HN 0.744 nan 8.250 nan 0.000 0.464 5 T N 2.975 117.299 114.554 -0.383 0.000 2.853 5 T HA 0.090 4.440 4.350 0.000 0.000 0.298 5 T C 0.151 174.798 174.700 -0.089 0.000 0.978 5 T CA -0.486 61.537 62.100 -0.128 0.000 1.152 5 T CB 0.425 69.301 68.868 0.014 0.000 0.914 5 T HN -0.167 nan 8.240 nan 0.000 0.539 6 K N 4.157 124.525 120.400 -0.053 0.000 2.202 6 K HA 0.407 4.727 4.320 0.000 0.000 0.264 6 K C 0.094 176.683 176.600 -0.017 0.000 1.010 6 K CA -0.414 55.852 56.287 -0.036 0.000 0.940 6 K CB 0.882 33.356 32.500 -0.043 0.000 0.983 6 K HN 0.677 nan 8.250 nan 0.000 0.475 7 I N 1.763 122.332 120.570 -0.002 0.000 2.378 7 I HA 0.179 4.349 4.170 0.000 0.000 0.291 7 I C -0.465 175.650 176.117 -0.003 0.000 0.992 7 I CA -1.068 60.235 61.300 0.005 0.000 1.154 7 I CB 1.758 39.777 38.000 0.030 0.000 1.315 7 I HN 0.009 nan 8.210 nan 0.000 0.448 8 V N 5.172 125.079 119.914 -0.013 0.000 2.417 8 V HA 0.410 4.530 4.120 0.000 0.000 0.291 8 V C -0.087 176.008 176.094 0.002 0.000 1.024 8 V CA -0.313 61.976 62.300 -0.018 0.000 0.861 8 V CB 1.677 33.471 31.823 -0.048 0.000 0.985 8 V HN 0.750 nan 8.190 nan 0.000 0.436 9 S N 2.520 118.230 115.700 0.016 0.000 2.502 9 S HA 0.443 4.913 4.470 0.000 0.000 0.304 9 S C 0.011 174.635 174.600 0.040 0.000 1.097 9 S CA -0.551 57.665 58.200 0.028 0.000 1.045 9 S CB 1.704 64.923 63.200 0.032 0.000 1.019 9 S HN 0.755 nan 8.310 nan 0.000 0.481 10 T N 4.328 118.908 114.554 0.044 0.000 2.834 10 T HA 0.233 4.583 4.350 0.000 0.000 0.298 10 T C 0.410 175.151 174.700 0.068 0.000 0.966 10 T CA -0.217 61.920 62.100 0.062 0.000 1.141 10 T CB -0.110 68.795 68.868 0.063 0.000 0.905 10 T HN 0.332 nan 8.240 nan 0.000 0.535 11 I N 3.109 123.732 120.570 0.088 0.000 2.472 11 I HA 0.612 4.782 4.170 0.000 0.000 0.290 11 I C 1.023 177.188 176.117 0.080 0.000 1.016 11 I CA 0.049 61.398 61.300 0.082 0.000 1.348 11 I CB 0.775 38.834 38.000 0.098 0.000 1.417 11 I HN 0.816 nan 8.210 nan 0.000 0.521 12 G N 5.702 114.534 108.800 0.053 0.000 2.650 12 G HA2 0.413 4.374 3.960 0.000 0.000 0.310 12 G HA3 0.413 4.374 3.960 0.000 0.000 0.310 12 G C -2.680 172.227 174.900 0.013 0.000 1.270 12 G CA -0.339 44.782 45.100 0.035 0.000 0.810 12 G HN 0.261 nan 8.290 nan 0.000 0.493 13 P HA -0.046 nan 4.420 nan 0.000 0.216 13 P C 1.908 179.200 177.300 -0.012 0.000 1.150 13 P CA 2.474 65.566 63.100 -0.014 0.000 0.843 13 P CB 0.165 31.851 31.700 -0.023 0.000 0.787 14 A N -0.779 122.035 122.820 -0.010 0.000 2.119 14 A HA -0.011 4.309 4.320 0.000 0.000 0.216 14 A C 1.715 179.296 177.584 -0.005 0.000 1.152 14 A CA 1.621 53.648 52.037 -0.015 0.000 0.708 14 A CB -0.779 18.211 19.000 -0.017 0.000 0.805 14 A HN 0.317 nan 8.150 nan 0.000 0.460 15 S N -1.019 114.686 115.700 0.007 0.000 3.031 15 S HA 0.122 4.592 4.470 0.000 0.000 0.253 15 S C 0.784 175.397 174.600 0.021 0.000 0.996 15 S CA 0.252 58.461 58.200 0.015 0.000 1.098 15 S CB -0.373 62.841 63.200 0.024 0.000 1.042 15 S HN 0.703 nan 8.310 nan 0.000 0.593 16 E N 1.618 121.827 120.200 0.016 0.000 2.385 16 E HA 0.071 4.421 4.350 0.000 0.000 0.194 16 E C 0.938 177.548 176.600 0.017 0.000 1.013 16 E CA 0.481 56.893 56.400 0.021 0.000 0.866 16 E CB -0.106 29.603 29.700 0.014 0.000 0.832 16 E HN 0.540 nan 8.360 nan 0.000 0.500 17 S N 0.129 115.835 115.700 0.010 0.000 2.600 17 S HA 0.084 4.554 4.470 0.000 0.000 0.265 17 S C 1.294 175.901 174.600 0.012 0.000 1.325 17 S CA -0.463 57.741 58.200 0.008 0.000 1.002 17 S CB 1.680 64.881 63.200 0.001 0.000 0.921 17 S HN 0.034 nan 8.310 nan 0.000 0.554 18 V N 1.342 121.263 119.914 0.011 0.000 2.379 18 V HA -0.083 4.037 4.120 0.000 0.000 0.245 18 V C 2.126 178.225 176.094 0.009 0.000 1.044 18 V CA 2.102 64.410 62.300 0.012 0.000 1.036 18 V CB -1.139 30.691 31.823 0.011 0.000 0.664 18 V HN 0.877 nan 8.190 nan 0.000 0.453 19 D N -0.332 120.071 120.400 0.005 0.000 2.144 19 D HA -0.151 4.489 4.640 0.000 0.000 0.200 19 D C 2.145 178.446 176.300 0.003 0.000 0.978 19 D CA 1.019 55.021 54.000 0.003 0.000 0.833 19 D CB -0.103 40.697 40.800 -0.000 0.000 0.961 19 D HN 0.228 nan 8.370 nan 0.000 0.470 20 K N 0.358 120.760 120.400 0.004 0.000 1.984 20 K HA -0.000 4.320 4.320 0.000 0.000 0.209 20 K C 1.941 178.546 176.600 0.009 0.000 1.046 20 K CA 0.832 57.121 56.287 0.004 0.000 0.934 20 K CB -0.439 32.064 32.500 0.004 0.000 0.717 20 K HN 0.076 nan 8.250 nan 0.000 0.438 21 L N 0.092 121.323 121.223 0.013 0.000 2.081 21 L HA -0.218 4.122 4.340 0.000 0.000 0.212 21 L C 2.207 179.085 176.870 0.013 0.000 1.080 21 L CA 1.011 55.861 54.840 0.018 0.000 0.754 21 L CB -0.464 41.609 42.059 0.023 0.000 0.893 21 L HN 0.044 nan 8.230 nan 0.000 0.433 22 V N -0.562 119.358 119.914 0.009 0.000 2.469 22 V HA -0.316 3.804 4.120 0.000 0.000 0.251 22 V C 2.415 178.509 176.094 0.001 0.000 1.064 22 V CA 1.711 64.014 62.300 0.005 0.000 1.066 22 V CB -0.462 31.362 31.823 0.003 0.000 0.667 22 V HN 0.522 nan 8.190 nan 0.000 0.461 23 Q N -0.960 118.840 119.800 0.001 0.000 2.020 23 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 23 Q C 2.324 178.322 176.000 -0.003 0.000 0.974 23 Q CA 1.109 56.911 55.803 -0.003 0.000 0.829 23 Q CB -0.207 28.531 28.738 0.000 0.000 0.894 23 Q HN 0.379 nan 8.270 nan 0.000 0.433 24 L N 0.421 121.647 121.223 0.005 0.000 2.021 24 L HA -0.237 4.103 4.340 0.000 0.000 0.215 24 L C 2.292 179.164 176.870 0.003 0.000 1.074 24 L CA 1.868 56.713 54.840 0.009 0.000 0.760 24 L CB -1.218 40.852 42.059 0.019 0.000 0.889 24 L HN 0.401 nan 8.230 nan 0.000 0.433 25 M N -0.951 118.652 119.600 0.005 0.000 2.108 25 M HA -0.230 4.250 4.480 0.000 0.000 0.261 25 M C 2.065 178.358 176.300 -0.012 0.000 1.066 25 M CA 1.609 56.911 55.300 0.004 0.000 1.107 25 M CB -0.396 32.210 32.600 0.009 0.000 1.356 25 M HN 0.233 nan 8.290 nan 0.000 0.406 26 E N 0.010 120.198 120.200 -0.021 0.000 2.274 26 E HA -0.076 4.274 4.350 0.000 0.000 0.194 26 E C 1.862 178.416 176.600 -0.076 0.000 0.996 26 E CA 0.851 57.227 56.400 -0.040 0.000 0.840 26 E CB -0.009 29.671 29.700 -0.034 0.000 0.772 26 E HN 0.485 nan 8.360 nan 0.000 0.491 27 A N -0.137 122.641 122.820 -0.069 0.000 2.123 27 A HA 0.198 4.518 4.320 0.000 0.000 0.214 27 A C 1.684 179.186 177.584 -0.137 0.000 1.152 27 A CA 1.051 53.022 52.037 -0.110 0.000 0.728 27 A CB 0.091 19.060 19.000 -0.052 0.000 0.814 27 A HN 0.328 nan 8.150 nan 0.000 0.464 28 G N -1.720 107.045 108.800 -0.059 0.000 2.155 28 G HA2 -0.116 3.844 3.960 0.000 0.000 0.130 28 G HA3 -0.116 3.844 3.960 0.000 0.000 0.130 28 G C 0.129 175.051 174.900 0.036 0.000 1.027 28 G CA -0.017 45.083 45.100 -0.000 0.000 0.705 28 G HN 0.531 nan 8.290 nan 0.000 0.496 29 M N 1.065 120.679 119.600 0.022 0.000 2.268 29 M HA 0.345 4.825 4.480 0.000 0.000 0.349 29 M C 1.003 177.322 176.300 0.031 0.000 1.485 29 M CA 0.673 55.990 55.300 0.028 0.000 1.094 29 M CB 0.124 32.739 32.600 0.025 0.000 1.843 29 M HN 0.212 nan 8.290 nan 0.000 0.460 30 N N 2.814 121.531 118.700 0.028 0.000 2.454 30 N HA 0.151 4.891 4.740 0.000 0.000 0.177 30 N C -0.857 174.672 175.510 0.033 0.000 1.049 30 N CA 0.069 53.137 53.050 0.030 0.000 0.887 30 N CB 0.691 39.189 38.487 0.018 0.000 1.095 30 N HN 0.422 nan 8.380 nan 0.000 0.446 31 V N 0.529 120.454 119.914 0.019 0.000 2.656 31 V HA 0.734 4.854 4.120 0.000 0.000 0.307 31 V C -0.908 175.205 176.094 0.030 0.000 1.051 31 V CA -1.292 61.022 62.300 0.023 0.000 0.893 31 V CB 1.665 33.466 31.823 -0.038 0.000 0.999 31 V HN 0.108 nan 8.190 nan 0.000 0.426 32 A N 4.363 127.216 122.820 0.054 0.000 2.271 32 A HA 0.735 5.055 4.320 0.000 0.000 0.317 32 A C -0.075 177.552 177.584 0.071 0.000 1.245 32 A CA -0.579 51.494 52.037 0.061 0.000 0.857 32 A CB 0.481 19.523 19.000 0.071 0.000 1.175 32 A HN 0.859 nan 8.150 nan 0.000 0.512 33 R N 3.026 123.565 120.500 0.065 0.000 2.229 33 R HA 0.486 4.826 4.340 0.000 0.000 0.328 33 R C -1.502 174.870 176.300 0.120 0.000 1.009 33 R CA -0.630 55.513 56.100 0.071 0.000 0.864 33 R CB 0.406 30.731 30.300 0.042 0.000 1.085 33 R HN 0.521 nan 8.270 nan 0.000 0.453 34 L N 4.590 125.909 121.223 0.160 0.000 2.268 34 L HA 0.228 4.568 4.340 0.000 0.000 0.289 34 L C -0.049 176.984 176.870 0.271 0.000 1.064 34 L CA -0.086 54.911 54.840 0.262 0.000 0.824 34 L CB 0.739 43.013 42.059 0.358 0.000 1.202 34 L HN 0.552 nan 8.230 nan 0.000 0.433 35 N N 2.591 121.441 118.700 0.250 0.000 2.415 35 N HA 0.074 4.814 4.740 0.000 0.000 0.246 35 N C 0.368 176.034 175.510 0.260 0.000 1.078 35 N CA -0.080 53.104 53.050 0.225 0.000 0.942 35 N CB 0.304 38.903 38.487 0.187 0.000 1.140 35 N HN 0.281 nan 8.380 nan 0.000 0.501 36 F N 1.213 121.125 119.950 -0.063 0.000 2.804 36 F HA 0.117 4.644 4.527 -0.000 0.000 0.303 36 F C 2.127 177.908 175.800 -0.031 0.000 1.154 36 F CA 0.124 58.074 58.000 -0.084 0.000 1.401 36 F CB -0.102 38.821 39.000 -0.130 0.000 1.106 36 F HN 0.442 nan 8.300 nan 0.000 0.568 37 S N -1.602 114.101 115.700 0.005 0.000 2.522 37 S HA -0.008 4.462 4.470 0.000 0.000 0.227 37 S C 0.003 174.267 174.600 -0.560 0.000 0.986 37 S CA 0.521 58.559 58.200 -0.269 0.000 0.929 37 S CB -0.352 62.619 63.200 -0.382 0.000 0.769 37 S HN 0.405 nan 8.310 nan 0.000 0.529 38 H N -1.348 117.781 119.070 0.098 0.000 2.930 38 H HA 0.574 5.130 4.556 -0.000 0.000 0.371 38 H C 0.163 175.508 175.328 0.029 0.000 1.169 38 H CA -0.179 55.899 56.048 0.050 0.000 1.157 38 H CB 1.642 31.427 29.762 0.039 0.000 1.789 38 H HN 0.216 nan 8.280 nan 0.000 0.547 39 G N 1.543 110.376 108.800 0.055 0.000 2.699 39 G HA2 -0.022 3.938 3.960 0.000 0.000 0.686 39 G HA3 -0.022 3.938 3.960 0.000 0.000 0.686 39 G C -1.160 173.611 174.900 -0.214 0.000 1.301 39 G CA -0.414 44.576 45.100 -0.182 0.000 0.816 39 G HN 0.908 nan 8.290 nan 0.000 0.595 40 D N -1.826 118.370 120.400 -0.339 0.000 2.340 40 D HA 0.644 5.284 4.640 0.000 0.000 0.243 40 D C 1.120 177.265 176.300 -0.258 0.000 0.988 40 D CA -0.736 53.104 54.000 -0.267 0.000 0.959 40 D CB 0.684 41.350 40.800 -0.224 0.000 1.226 40 D HN 0.376 nan 8.370 nan 0.000 0.509 41 H N 0.016 118.867 119.070 -0.364 0.000 2.431 41 H HA -0.178 4.378 4.556 0.000 0.000 0.297 41 H C 1.646 176.781 175.328 -0.321 0.000 1.115 41 H CA 1.999 57.654 56.048 -0.655 0.000 1.277 41 H CB -0.402 28.720 29.762 -1.067 0.000 1.372 41 H HN 0.787 nan 8.280 nan 0.000 0.516 42 E N 0.567 120.722 120.200 -0.076 0.000 2.077 42 E HA -0.204 4.146 4.350 0.000 0.000 0.193 42 E C 2.089 178.674 176.600 -0.025 0.000 0.989 42 E CA 1.302 57.696 56.400 -0.011 0.000 0.800 42 E CB -0.213 29.471 29.700 -0.026 0.000 0.746 42 E HN 0.635 nan 8.360 nan 0.000 0.452 43 E N 0.768 120.879 120.200 -0.149 0.000 2.031 43 E HA -0.228 4.122 4.350 0.000 0.000 0.193 43 E C 2.238 178.759 176.600 -0.132 0.000 0.994 43 E CA 1.272 57.553 56.400 -0.198 0.000 0.800 43 E CB -0.084 29.403 29.700 -0.356 0.000 0.752 43 E HN 0.427 nan 8.360 nan 0.000 0.447 44 H N -0.595 118.478 119.070 0.005 0.000 2.387 44 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 44 H C 2.140 177.623 175.328 0.258 0.000 1.090 44 H CA 1.280 57.401 56.048 0.122 0.000 1.332 44 H CB -0.724 29.110 29.762 0.120 0.000 1.386 44 H HN 0.385 nan 8.280 nan 0.000 0.516 45 G N 1.003 110.067 108.800 0.439 0.000 2.442 45 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 45 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 45 G C 1.950 176.971 174.900 0.201 0.000 1.141 45 G CA 0.579 45.918 45.100 0.399 0.000 0.763 45 G HN 0.354 nan 8.290 nan 0.000 0.554 46 R N -0.100 120.481 120.500 0.134 0.000 2.075 46 R HA 0.091 4.431 4.340 0.000 0.000 0.226 46 R C 2.827 179.174 176.300 0.080 0.000 1.114 46 R CA 0.804 56.953 56.100 0.081 0.000 0.972 46 R CB -0.280 30.045 30.300 0.041 0.000 0.869 46 R HN 0.258 nan 8.270 nan 0.000 0.437 47 R N 0.824 121.379 120.500 0.091 0.000 2.094 47 R HA -0.135 4.205 4.340 0.000 0.000 0.239 47 R C 2.341 178.707 176.300 0.110 0.000 1.137 47 R CA 1.722 57.881 56.100 0.099 0.000 0.943 47 R CB -0.620 29.747 30.300 0.112 0.000 0.850 47 R HN 0.181 nan 8.270 nan 0.000 0.433 48 I N 0.703 121.360 120.570 0.144 0.000 2.118 48 I HA -0.344 3.826 4.170 0.000 0.000 0.241 48 I C 2.677 178.838 176.117 0.073 0.000 1.070 48 I CA 1.496 62.864 61.300 0.112 0.000 1.327 48 I CB -0.539 37.530 38.000 0.114 0.000 1.034 48 I HN 0.287 nan 8.210 nan 0.000 0.405 49 A N 0.934 123.798 122.820 0.073 0.000 1.892 49 A HA -0.297 4.023 4.320 0.000 0.000 0.218 49 A C 2.027 179.636 177.584 0.042 0.000 1.188 49 A CA 2.547 54.615 52.037 0.051 0.000 0.631 49 A CB -1.257 17.776 19.000 0.054 0.000 0.822 49 A HN 0.552 nan 8.150 nan 0.000 0.447 50 N N -0.215 118.512 118.700 0.045 0.000 2.069 50 N HA -0.144 4.596 4.740 0.000 0.000 0.191 50 N C 1.622 177.154 175.510 0.037 0.000 1.031 50 N CA 1.360 54.432 53.050 0.037 0.000 0.852 50 N CB -0.276 38.233 38.487 0.037 0.000 1.018 50 N HN 0.362 nan 8.380 nan 0.000 0.423 51 I N 1.567 122.164 120.570 0.046 0.000 2.118 51 I HA -0.281 3.889 4.170 0.000 0.000 0.241 51 I C 2.195 178.332 176.117 0.033 0.000 1.070 51 I CA 1.540 62.866 61.300 0.043 0.000 1.327 51 I CB -0.983 37.049 38.000 0.054 0.000 1.034 51 I HN 0.174 nan 8.210 nan 0.000 0.405 52 R N 0.159 120.678 120.500 0.031 0.000 2.120 52 R HA -0.193 4.147 4.340 0.000 0.000 0.234 52 R C 2.214 178.525 176.300 0.018 0.000 1.123 52 R CA 1.339 57.452 56.100 0.022 0.000 0.975 52 R CB -0.208 30.103 30.300 0.017 0.000 0.866 52 R HN 0.470 nan 8.270 nan 0.000 0.446 53 E N 0.039 120.250 120.200 0.019 0.000 2.112 53 E HA -0.089 4.261 4.350 0.000 0.000 0.190 53 E C 1.791 178.400 176.600 0.014 0.000 0.979 53 E CA 0.826 57.236 56.400 0.015 0.000 0.814 53 E CB 0.075 29.784 29.700 0.016 0.000 0.762 53 E HN 0.360 nan 8.360 nan 0.000 0.460 54 A N 1.040 123.870 122.820 0.017 0.000 1.929 54 A HA 0.029 4.349 4.320 0.000 0.000 0.216 54 A C 2.334 179.927 177.584 0.014 0.000 1.176 54 A CA 1.303 53.349 52.037 0.015 0.000 0.628 54 A CB -0.526 18.484 19.000 0.017 0.000 0.816 54 A HN 0.365 nan 8.150 nan 0.000 0.444 55 A N -0.102 122.728 122.820 0.017 0.000 1.972 55 A HA -0.159 4.161 4.320 0.000 0.000 0.219 55 A C 2.093 179.684 177.584 0.012 0.000 1.169 55 A CA 1.828 53.875 52.037 0.016 0.000 0.635 55 A CB -0.315 18.697 19.000 0.019 0.000 0.810 55 A HN 0.553 nan 8.150 nan 0.000 0.446 56 K N -1.196 119.210 120.400 0.010 0.000 2.166 56 K HA -0.018 4.302 4.320 0.000 0.000 0.201 56 K C 2.238 178.841 176.600 0.005 0.000 1.052 56 K CA 0.927 57.218 56.287 0.007 0.000 0.969 56 K CB -0.073 32.430 32.500 0.006 0.000 0.761 56 K HN 0.380 nan 8.250 nan 0.000 0.459 57 R N 1.355 121.859 120.500 0.006 0.000 2.117 57 R HA -0.084 4.256 4.340 0.000 0.000 0.243 57 R C 1.028 177.329 176.300 0.002 0.000 1.143 57 R CA 1.539 57.641 56.100 0.004 0.000 0.968 57 R CB -0.373 29.930 30.300 0.004 0.000 0.863 57 R HN 0.030 nan 8.270 nan 0.000 0.444 58 T N -2.625 111.931 114.554 0.003 0.000 2.949 58 T HA 0.537 4.887 4.350 0.000 0.000 0.287 58 T C 0.208 174.910 174.700 0.003 0.000 1.034 58 T CA -0.549 61.551 62.100 0.001 0.000 1.018 58 T CB 1.573 70.442 68.868 0.001 0.000 1.135 58 T HN 0.290 nan 8.240 nan 0.000 0.532 59 G N 2.753 111.554 108.800 0.002 0.000 4.178 59 G HA2 0.320 4.280 3.960 0.000 0.000 0.287 59 G HA3 0.320 4.280 3.960 0.000 0.000 0.287 59 G C 0.132 175.038 174.900 0.009 0.000 1.293 59 G CA -0.421 44.681 45.100 0.004 0.000 1.393 59 G HN 0.430 nan 8.290 nan 0.000 0.623 60 R N 0.093 120.600 120.500 0.012 0.000 2.532 60 R HA 0.447 4.787 4.340 0.000 0.000 0.295 60 R C -0.627 175.688 176.300 0.025 0.000 0.968 60 R CA -0.460 55.652 56.100 0.019 0.000 0.916 60 R CB 1.420 31.730 30.300 0.018 0.000 1.124 60 R HN 0.050 nan 8.270 nan 0.000 0.463 61 T N 2.086 116.660 114.554 0.033 0.000 2.738 61 T HA 0.338 4.688 4.350 0.000 0.000 0.298 61 T C -0.177 174.550 174.700 0.045 0.000 0.962 61 T CA -0.333 61.789 62.100 0.037 0.000 0.972 61 T CB 0.683 69.576 68.868 0.041 0.000 0.928 61 T HN 0.132 nan 8.240 nan 0.000 0.474 62 V N 3.066 123.007 119.914 0.046 0.000 2.483 62 V HA 0.702 4.822 4.120 0.000 0.000 0.297 62 V C 0.317 176.455 176.094 0.073 0.000 1.027 62 V CA -1.148 61.185 62.300 0.056 0.000 0.855 62 V CB 1.537 33.388 31.823 0.047 0.000 0.995 62 V HN 1.027 nan 8.190 nan 0.000 0.424 63 A N 5.746 128.632 122.820 0.109 0.000 2.304 63 A HA 0.836 5.156 4.320 0.000 0.000 0.271 63 A C -0.401 177.277 177.584 0.156 0.000 1.091 63 A CA -0.373 51.764 52.037 0.166 0.000 0.812 63 A CB 0.400 19.603 19.000 0.338 0.000 1.056 63 A HN 0.775 nan 8.150 nan 0.000 0.489 64 I N 1.349 122.014 120.570 0.158 0.000 2.355 64 I HA 0.326 4.496 4.170 0.000 0.000 0.288 64 I C -0.558 175.658 176.117 0.165 0.000 0.999 64 I CA -0.149 61.226 61.300 0.125 0.000 1.163 64 I CB 1.392 39.435 38.000 0.073 0.000 1.316 64 I HN 0.575 nan 8.210 nan 0.000 0.454 65 L N 7.552 128.858 121.223 0.137 0.000 2.307 65 L HA 0.576 4.916 4.340 0.000 0.000 0.284 65 L C -1.136 175.757 176.870 0.038 0.000 1.023 65 L CA -0.625 54.286 54.840 0.118 0.000 0.810 65 L CB 1.654 43.740 42.059 0.044 0.000 1.231 65 L HN 0.577 nan 8.230 nan 0.000 0.423 66 L N 5.221 126.423 121.223 -0.035 0.000 2.277 66 L HA 0.405 4.745 4.340 0.000 0.000 0.284 66 L C -0.771 176.011 176.870 -0.146 0.000 1.028 66 L CA -0.394 54.341 54.840 -0.174 0.000 0.835 66 L CB 0.833 42.648 42.059 -0.405 0.000 1.215 66 L HN 0.603 nan 8.230 nan 0.000 0.425 67 D N 3.910 124.273 120.400 -0.062 0.000 2.347 67 D HA 0.145 4.785 4.640 0.000 0.000 0.235 67 D C 0.105 176.383 176.300 -0.035 0.000 1.149 67 D CA -0.086 53.888 54.000 -0.043 0.000 0.850 67 D CB 1.294 42.094 40.800 0.000 0.000 1.061 67 D HN 0.622 nan 8.370 nan 0.000 0.487 68 T N 0.879 115.391 114.554 -0.070 0.000 2.754 68 T HA 0.141 4.491 4.350 0.000 0.000 0.286 68 T C 1.216 175.937 174.700 0.035 0.000 0.997 68 T CA -0.414 61.670 62.100 -0.027 0.000 0.982 68 T CB 1.775 70.618 68.868 -0.042 0.000 1.027 68 T HN 0.374 nan 8.240 nan 0.000 0.529 69 K N 0.317 120.766 120.400 0.082 0.000 2.098 69 K HA 0.289 4.609 4.320 0.000 0.000 0.203 69 K C 1.163 177.874 176.600 0.184 0.000 1.051 69 K CA 0.839 57.188 56.287 0.104 0.000 0.957 69 K CB -0.876 31.674 32.500 0.084 0.000 0.738 69 K HN 1.120 nan 8.250 nan 0.000 0.447 70 G N 0.789 109.679 108.800 0.151 0.000 2.855 70 G HA2 -0.208 3.752 3.960 0.000 0.000 0.352 70 G HA3 -0.208 3.752 3.960 0.000 0.000 0.352 70 G C -2.641 172.352 174.900 0.155 0.000 1.415 70 G CA -1.021 44.201 45.100 0.204 0.000 0.871 70 G HN -0.179 nan 8.290 nan 0.000 0.543 71 P HA 0.145 nan 4.420 nan 0.000 0.274 71 P C -1.742 175.422 177.300 -0.227 0.000 1.237 71 P CA -0.567 62.511 63.100 -0.036 0.000 0.793 71 P CB 0.860 32.535 31.700 -0.041 0.000 0.977 72 E N -0.465 119.585 120.200 -0.250 0.000 2.745 72 E HA 0.006 nan 4.350 nan 0.000 0.306 72 E C -0.893 175.571 176.600 -0.228 0.000 1.090 72 E CA -0.263 55.920 56.400 -0.362 0.000 0.893 72 E CB 1.213 30.673 29.700 -0.399 0.000 1.205 72 E HN 0.009 8.277 8.360 -0.153 0.000 0.438 73 I N 3.555 123.975 120.570 -0.251 0.000 2.436 73 I HA 0.261 4.431 4.170 0.000 0.000 0.289 73 I C 0.482 176.510 176.117 -0.147 0.000 1.083 73 I CA 0.740 61.936 61.300 -0.174 0.000 1.372 73 I CB 0.079 37.962 38.000 -0.195 0.000 1.408 73 I HN 0.330 nan 8.210 nan 0.000 0.516 74 R N 3.544 123.966 120.500 -0.131 0.000 2.960 74 R HA 0.762 5.102 4.340 0.000 0.000 0.249 74 R C -0.782 175.402 176.300 -0.193 0.000 1.192 74 R CA -0.528 55.491 56.100 -0.134 0.000 1.035 74 R CB 1.470 31.705 30.300 -0.108 0.000 1.234 74 R HN 0.591 nan 8.270 nan 0.000 0.493 75 T N 0.445 114.896 114.554 -0.172 0.000 2.940 75 T HA 0.458 4.808 4.350 0.000 0.000 0.288 75 T C -0.464 174.107 174.700 -0.215 0.000 1.033 75 T CA -0.688 61.290 62.100 -0.204 0.000 1.033 75 T CB 0.762 69.581 68.868 -0.081 0.000 1.079 75 T HN 0.378 nan 8.240 nan 0.000 0.496 76 H N 0.947 120.022 119.070 0.008 0.000 2.560 76 H HA 0.332 4.888 4.556 -0.000 0.000 0.266 76 H C 0.492 175.824 175.328 0.007 0.000 1.585 76 H CA -0.567 55.485 56.048 0.007 0.000 1.570 76 H CB 0.240 30.006 29.762 0.007 0.000 1.687 76 H HN 0.514 nan 8.280 nan 0.000 0.837 77 N N 0.998 119.798 118.700 0.167 0.000 2.530 77 N HA 0.054 4.794 4.740 0.000 0.000 0.273 77 N C -0.120 175.427 175.510 0.062 0.000 1.173 77 N CA -0.262 52.837 53.050 0.081 0.000 0.967 77 N CB 0.651 39.170 38.487 0.053 0.000 1.109 77 N HN 0.174 nan 8.380 nan 0.000 0.453 78 M N 2.353 121.978 119.600 0.041 0.000 3.028 78 M HA 0.085 4.565 4.480 0.000 0.000 0.296 78 M C -0.540 175.773 176.300 0.022 0.000 1.314 78 M CA -0.560 54.758 55.300 0.030 0.000 1.383 78 M CB -0.902 31.712 32.600 0.023 0.000 1.128 78 M HN 0.550 nan 8.290 nan 0.000 0.544 79 E N 0.450 120.662 120.200 0.021 0.000 1.626 79 E HA -0.323 4.027 4.350 0.000 0.000 0.273 79 E C 0.384 176.990 176.600 0.011 0.000 1.490 79 E CA 1.134 57.542 56.400 0.014 0.000 0.961 79 E CB -1.555 28.152 29.700 0.011 0.000 0.824 79 E HN 0.823 nan 8.360 nan 0.000 0.316 80 N N 0.688 119.395 118.700 0.010 0.000 2.282 80 N HA -0.321 4.419 4.740 0.000 0.000 0.222 80 N C 0.834 176.350 175.510 0.010 0.000 0.937 80 N CA 3.919 56.974 53.050 0.008 0.000 2.775 80 N CB -1.265 37.225 38.487 0.006 0.000 0.817 80 N HN 0.892 nan 8.380 nan 0.000 0.463 81 G N -1.754 107.053 108.800 0.011 0.000 2.691 81 G HA2 0.708 4.668 3.960 0.000 0.000 0.169 81 G HA3 0.708 4.668 3.960 0.000 0.000 0.169 81 G C -0.780 174.127 174.900 0.012 0.000 1.638 81 G CA 0.659 45.765 45.100 0.010 0.000 0.822 81 G HN 1.059 nan 8.290 nan 0.000 0.768 82 A N -0.809 122.017 122.820 0.011 0.000 2.606 82 A HA 0.717 5.037 4.320 0.000 0.000 0.293 82 A C -1.337 176.253 177.584 0.010 0.000 1.082 82 A CA -0.490 51.554 52.037 0.011 0.000 0.685 82 A CB 1.133 20.139 19.000 0.010 0.000 1.284 82 A HN 0.348 nan 8.150 nan 0.000 0.408 83 I N 0.299 120.875 120.570 0.011 0.000 3.204 83 I HA 0.457 4.627 4.170 0.000 0.000 0.313 83 I C 1.245 177.367 176.117 0.008 0.000 1.082 83 I CA -0.115 61.191 61.300 0.010 0.000 1.033 83 I CB 1.356 39.362 38.000 0.011 0.000 1.304 83 I HN 1.104 nan 8.210 nan 0.000 0.536 84 E N 1.460 121.664 120.200 0.007 0.000 2.225 84 E HA 0.334 4.684 4.350 0.000 0.000 0.202 84 E C -0.730 175.873 176.600 0.006 0.000 0.987 84 E CA -0.030 56.374 56.400 0.006 0.000 1.010 84 E CB 0.698 30.401 29.700 0.006 0.000 1.464 84 E HN 0.405 nan 8.360 nan 0.000 0.508 85 L N 1.187 122.414 121.223 0.006 0.000 2.492 85 L HA -0.171 4.169 4.340 0.000 0.000 0.539 85 L C -0.296 176.577 176.870 0.005 0.000 1.002 85 L CA 0.161 55.005 54.840 0.005 0.000 1.255 85 L CB -0.726 41.336 42.059 0.005 0.000 1.655 85 L HN 0.328 nan 8.230 nan 0.000 0.843 86 K N 2.750 123.152 120.400 0.004 0.000 2.531 86 K HA 0.288 4.608 4.320 0.000 0.000 0.265 86 K C 1.220 177.823 176.600 0.004 0.000 1.045 86 K CA -0.231 56.059 56.287 0.004 0.000 1.040 86 K CB 0.540 33.042 32.500 0.004 0.000 1.436 86 K HN 0.686 nan 8.250 nan 0.000 0.571 87 E N -0.137 120.065 120.200 0.004 0.000 2.510 87 E HA -0.083 4.267 4.350 0.000 0.000 0.202 87 E C 0.557 177.159 176.600 0.003 0.000 1.072 87 E CA 1.119 57.521 56.400 0.003 0.000 0.883 87 E CB 0.244 29.946 29.700 0.003 0.000 0.818 87 E HN 0.683 nan 8.360 nan 0.000 0.548 88 G N 0.020 108.822 108.800 0.003 0.000 2.581 88 G HA2 0.256 4.216 3.960 0.000 0.000 0.194 88 G HA3 0.256 4.216 3.960 0.000 0.000 0.194 88 G C -0.466 174.436 174.900 0.004 0.000 1.814 88 G CA 0.242 45.344 45.100 0.003 0.000 0.745 88 G HN 0.240 nan 8.290 nan 0.000 0.802 89 S N -0.928 114.775 115.700 0.004 0.000 3.502 89 S HA -0.166 4.304 4.470 0.000 0.000 0.850 89 S C -0.083 174.519 174.600 0.004 0.000 1.225 89 S CA 0.804 59.007 58.200 0.004 0.000 0.900 89 S CB -0.206 62.996 63.200 0.005 0.000 0.562 89 S HN 0.842 nan 8.310 nan 0.000 0.306 90 K N 1.973 122.376 120.400 0.005 0.000 2.385 90 K HA 0.363 4.683 4.320 0.000 0.000 0.229 90 K C -0.498 176.105 176.600 0.006 0.000 1.089 90 K CA -0.562 55.728 56.287 0.005 0.000 1.060 90 K CB 0.117 32.619 32.500 0.004 0.000 1.698 90 K HN 0.505 nan 8.250 nan 0.000 0.469 91 L N 5.593 126.820 121.223 0.006 0.000 2.261 91 L HA 0.323 4.663 4.340 0.000 0.000 0.289 91 L C -1.146 175.729 176.870 0.008 0.000 1.059 91 L CA -0.294 54.550 54.840 0.008 0.000 0.816 91 L CB 1.109 43.172 42.059 0.007 0.000 1.191 91 L HN 0.237 nan 8.230 nan 0.000 0.431 92 V N 6.887 126.807 119.914 0.010 0.000 2.435 92 V HA 0.439 4.559 4.120 0.000 0.000 0.290 92 V C 0.454 176.556 176.094 0.014 0.000 1.030 92 V CA -0.646 61.660 62.300 0.010 0.000 0.881 92 V CB 2.062 33.891 31.823 0.009 0.000 0.983 92 V HN 0.571 nan 8.190 nan 0.000 0.445 93 I N 3.310 123.888 120.570 0.014 0.000 2.353 93 I HA 0.361 4.531 4.170 0.000 0.000 0.293 93 I C 0.410 176.539 176.117 0.021 0.000 0.992 93 I CA 0.108 61.419 61.300 0.019 0.000 1.268 93 I CB 1.746 39.756 38.000 0.017 0.000 1.387 93 I HN 0.612 nan 8.210 nan 0.000 0.478 94 S N 6.209 121.928 115.700 0.031 0.000 2.489 94 S HA 0.376 4.846 4.470 0.000 0.000 0.291 94 S C 0.711 175.333 174.600 0.038 0.000 1.151 94 S CA -0.811 57.407 58.200 0.030 0.000 1.082 94 S CB 0.891 64.110 63.200 0.033 0.000 1.019 94 S HN 0.518 nan 8.310 nan 0.000 0.492 95 M N 3.262 122.875 119.600 0.021 0.000 2.654 95 M HA 0.219 4.699 4.480 0.000 0.000 0.217 95 M C -0.192 176.126 176.300 0.029 0.000 1.183 95 M CA 0.285 55.593 55.300 0.014 0.000 0.991 95 M CB -1.549 31.040 32.600 -0.018 0.000 1.749 95 M HN 0.415 nan 8.290 nan 0.000 0.475 96 S N -0.038 115.691 115.700 0.048 0.000 2.536 96 S HA 0.280 4.750 4.470 0.000 0.000 0.271 96 S C -0.523 174.109 174.600 0.053 0.000 1.134 96 S CA -0.997 57.228 58.200 0.041 0.000 0.897 96 S CB 2.639 65.846 63.200 0.011 0.000 1.094 96 S HN 0.330 nan 8.310 nan 0.000 0.473 97 E N 2.199 122.396 120.200 -0.004 0.000 2.606 97 E HA 0.231 4.581 4.350 0.000 0.000 0.248 97 E C -0.368 176.188 176.600 -0.073 0.000 1.005 97 E CA -0.036 56.272 56.400 -0.153 0.000 0.946 97 E CB -0.056 29.424 29.700 -0.368 0.000 0.928 97 E HN 0.486 nan 8.360 nan 0.000 0.494 98 V N 2.343 122.249 119.914 -0.013 0.000 3.049 98 V HA 0.423 4.543 4.120 0.000 0.000 0.309 98 V C -0.346 175.756 176.094 0.013 0.000 1.148 98 V CA -1.256 61.044 62.300 -0.001 0.000 0.990 98 V CB 1.789 33.625 31.823 0.020 0.000 1.039 98 V HN 0.673 nan 8.190 nan 0.000 0.430 99 L N 3.337 124.563 121.223 0.004 0.000 2.456 99 L HA 0.416 4.756 4.340 0.000 0.000 0.277 99 L C 1.171 178.056 176.870 0.026 0.000 1.124 99 L CA 0.514 55.361 54.840 0.013 0.000 0.880 99 L CB 0.227 42.288 42.059 0.004 0.000 1.192 99 L HN 1.165 nan 8.230 nan 0.000 0.463 100 G N 3.329 112.153 108.800 0.041 0.000 2.272 100 G HA2 0.285 4.245 3.960 0.000 0.000 0.247 100 G HA3 0.285 4.245 3.960 0.000 0.000 0.247 100 G C 0.118 175.033 174.900 0.025 0.000 1.272 100 G CA 0.138 45.261 45.100 0.038 0.000 0.921 100 G HN 0.710 nan 8.290 nan 0.000 0.495 101 T N 0.156 114.722 114.554 0.020 0.000 2.883 101 T HA 0.552 4.902 4.350 0.000 0.000 0.296 101 T C -2.273 172.435 174.700 0.013 0.000 1.117 101 T CA -1.657 60.451 62.100 0.014 0.000 1.006 101 T CB 2.351 71.226 68.868 0.011 0.000 1.191 101 T HN 0.054 nan 8.240 nan 0.000 0.508 102 P HA -0.046 nan 4.420 nan 0.000 0.223 102 P C 0.521 177.826 177.300 0.009 0.000 1.140 102 P CA 1.132 64.237 63.100 0.009 0.000 0.783 102 P CB 0.099 31.804 31.700 0.007 0.000 0.759 103 E N -1.652 118.554 120.200 0.009 0.000 2.364 103 E HA 0.110 4.460 4.350 0.000 0.000 0.203 103 E C 0.666 177.272 176.600 0.011 0.000 0.888 103 E CA 0.337 56.742 56.400 0.009 0.000 0.989 103 E CB 0.271 29.976 29.700 0.007 0.000 0.985 103 E HN 0.060 nan 8.360 nan 0.000 0.499 104 K N 1.779 122.188 120.400 0.014 0.000 2.690 104 K HA 0.318 4.638 4.320 0.000 0.000 0.243 104 K C -0.820 175.795 176.600 0.025 0.000 0.982 104 K CA -0.294 56.003 56.287 0.017 0.000 0.955 104 K CB 0.563 33.072 32.500 0.015 0.000 1.185 104 K HN 0.114 nan 8.250 nan 0.000 0.467 105 I N -0.307 120.280 120.570 0.029 0.000 3.619 105 I HA 0.644 4.814 4.170 0.000 0.000 0.284 105 I C -0.435 175.717 176.117 0.059 0.000 1.240 105 I CA -0.902 60.424 61.300 0.042 0.000 1.016 105 I CB 1.906 39.925 38.000 0.031 0.000 1.374 105 I HN 0.582 nan 8.210 nan 0.000 0.553 106 S N 0.396 116.149 115.700 0.088 0.000 2.579 106 S HA 0.776 5.246 4.470 0.000 0.000 0.272 106 S C -0.513 174.100 174.600 0.020 0.000 1.141 106 S CA -0.521 57.753 58.200 0.123 0.000 0.843 106 S CB 1.556 64.919 63.200 0.272 0.000 1.122 106 S HN 0.953 nan 8.310 nan 0.000 0.468 107 V N -1.683 118.221 119.914 -0.016 0.000 3.240 107 V HA 0.803 4.923 4.120 0.000 0.000 0.306 107 V C 0.025 176.018 176.094 -0.167 0.000 1.227 107 V CA -0.732 61.485 62.300 -0.139 0.000 1.047 107 V CB 1.097 32.906 31.823 -0.022 0.000 1.203 107 V HN 0.969 nan 8.190 nan 0.000 0.471 108 T N 0.523 115.012 114.554 -0.109 0.000 3.331 108 T HA 0.321 4.671 4.350 0.000 0.000 0.282 108 T C -0.812 173.963 174.700 0.125 0.000 1.010 108 T CA 0.396 62.496 62.100 -0.000 0.000 0.928 108 T CB -0.755 68.081 68.868 -0.052 0.000 1.154 108 T HN 0.757 nan 8.240 nan 0.000 0.516 109 Y N 1.465 121.745 120.300 -0.032 0.000 2.516 109 Y HA 0.372 4.921 4.550 -0.000 0.000 0.329 109 Y C -2.783 173.110 175.900 -0.011 0.000 1.095 109 Y CA -2.681 55.405 58.100 -0.023 0.000 1.213 109 Y CB 1.291 39.726 38.460 -0.041 0.000 1.109 109 Y HN -0.048 nan 8.280 nan 0.000 0.630 110 P HA -0.118 nan 4.420 nan 0.000 0.227 110 P C 0.953 178.058 177.300 -0.324 0.000 1.145 110 P CA 1.704 64.702 63.100 -0.171 0.000 0.769 110 P CB 0.344 31.986 31.700 -0.096 0.000 0.769 111 S N -1.662 113.600 115.700 -0.729 0.000 2.593 111 S HA 0.036 4.506 4.470 0.000 0.000 0.217 111 S C 1.472 175.689 174.600 -0.638 0.000 0.966 111 S CA -0.151 57.584 58.200 -0.775 0.000 0.914 111 S CB -0.568 62.016 63.200 -1.027 0.000 0.776 111 S HN 0.091 nan 8.310 nan 0.000 0.523 112 L N 2.560 123.505 121.223 -0.463 0.000 1.970 112 L HA 0.028 4.368 4.340 0.000 0.000 0.212 112 L C 1.934 178.813 176.870 0.015 0.000 1.071 112 L CA 1.665 56.542 54.840 0.061 0.000 0.751 112 L CB -0.631 41.536 42.059 0.181 0.000 0.889 112 L HN 0.357 nan 8.230 nan 0.000 0.432 113 I N 0.055 120.608 120.570 -0.028 0.000 2.502 113 I HA -0.256 3.914 4.170 0.000 0.000 0.258 113 I C 0.973 177.077 176.117 -0.021 0.000 1.172 113 I CA 1.695 62.985 61.300 -0.017 0.000 1.430 113 I CB -0.576 37.409 38.000 -0.025 0.000 1.086 113 I HN 0.547 nan 8.210 nan 0.000 0.440 114 D N 0.326 120.697 120.400 -0.048 0.000 3.072 114 D HA 0.462 5.102 4.640 0.000 0.000 0.250 114 D C 0.538 176.836 176.300 -0.005 0.000 1.304 114 D CA 0.667 54.644 54.000 -0.037 0.000 0.861 114 D CB -0.449 40.310 40.800 -0.068 0.000 1.062 114 D HN 0.660 nan 8.370 nan 0.000 0.481 115 D N -1.342 119.073 120.400 0.026 0.000 1.664 115 D HA 0.257 4.897 4.640 0.000 0.000 0.621 115 D C 1.023 177.352 176.300 0.049 0.000 0.872 115 D CA 0.587 54.621 54.000 0.057 0.000 1.120 115 D CB -0.425 40.453 40.800 0.129 0.000 1.606 115 D HN 0.624 nan 8.370 nan 0.000 0.511 116 V N 2.202 122.145 119.914 0.049 0.000 2.686 116 V HA 0.576 4.696 4.120 0.000 0.000 0.295 116 V C 0.536 176.643 176.094 0.022 0.000 1.055 116 V CA 0.654 62.975 62.300 0.036 0.000 1.050 116 V CB 1.320 33.165 31.823 0.037 0.000 0.984 116 V HN 0.885 nan 8.190 nan 0.000 0.482 117 S N 5.407 121.117 115.700 0.017 0.000 2.718 117 S HA 0.693 5.163 4.470 0.000 0.000 0.300 117 S C -0.316 174.290 174.600 0.010 0.000 1.117 117 S CA -0.820 57.387 58.200 0.012 0.000 1.002 117 S CB 1.595 64.802 63.200 0.011 0.000 1.092 117 S HN 0.789 nan 8.310 nan 0.000 0.542 118 V N 1.496 121.414 119.914 0.007 0.000 3.032 118 V HA 0.408 4.528 4.120 0.000 0.000 0.307 118 V C 1.868 177.965 176.094 0.006 0.000 1.097 118 V CA 1.171 63.475 62.300 0.006 0.000 1.191 118 V CB -0.154 31.672 31.823 0.005 0.000 0.964 118 V HN 1.624 nan 8.190 nan 0.000 0.494 119 G N 2.440 111.243 108.800 0.005 0.000 2.196 119 G HA2 -0.195 3.765 3.960 0.000 0.000 0.268 119 G HA3 -0.195 3.765 3.960 0.000 0.000 0.268 119 G C 0.527 175.431 174.900 0.005 0.000 0.975 119 G CA 0.583 45.686 45.100 0.005 0.000 0.648 119 G HN 1.563 nan 8.290 nan 0.000 0.538 120 A N -0.500 122.324 122.820 0.007 0.000 2.387 120 A HA 0.616 4.936 4.320 0.000 0.000 0.251 120 A C 0.638 178.225 177.584 0.006 0.000 1.113 120 A CA 1.137 53.178 52.037 0.007 0.000 0.794 120 A CB 0.345 19.351 19.000 0.010 0.000 1.069 120 A HN 0.726 nan 8.150 nan 0.000 0.506 121 K N -0.170 120.233 120.400 0.005 0.000 2.376 121 K HA 0.573 4.893 4.320 0.000 0.000 0.257 121 K C -1.905 174.696 176.600 0.001 0.000 0.939 121 K CA -0.441 55.848 56.287 0.003 0.000 0.809 121 K CB 0.864 33.365 32.500 0.002 0.000 1.121 121 K HN 0.467 nan 8.250 nan 0.000 0.425 122 I N 4.588 125.159 120.570 0.001 0.000 2.433 122 I HA 0.344 4.514 4.170 0.000 0.000 0.292 122 I C -1.112 175.002 176.117 -0.006 0.000 1.001 122 I CA -0.637 60.661 61.300 -0.003 0.000 1.119 122 I CB 1.599 39.599 38.000 0.001 0.000 1.289 122 I HN 0.458 nan 8.210 nan 0.000 0.438 123 L N 6.794 128.010 121.223 -0.011 0.000 2.342 123 L HA 0.672 5.012 4.340 0.000 0.000 0.271 123 L C -0.585 176.275 176.870 -0.016 0.000 1.008 123 L CA -0.328 54.506 54.840 -0.011 0.000 0.818 123 L CB 1.494 43.547 42.059 -0.009 0.000 1.296 123 L HN 0.348 nan 8.230 nan 0.000 0.427 124 L N 0.894 122.109 121.223 -0.012 0.000 2.350 124 L HA 0.570 4.910 4.340 0.000 0.000 0.260 124 L C -0.697 176.168 176.870 -0.008 0.000 1.015 124 L CA -1.005 53.827 54.840 -0.015 0.000 0.821 124 L CB 1.697 43.749 42.059 -0.012 0.000 1.370 124 L HN 0.569 nan 8.230 nan 0.000 0.416 125 D N 2.926 123.322 120.400 -0.008 0.000 2.956 125 D HA -0.188 4.452 4.640 0.000 0.000 0.240 125 D C 0.273 176.577 176.300 0.006 0.000 1.141 125 D CA 1.110 55.111 54.000 0.001 0.000 0.820 125 D CB -0.551 40.252 40.800 0.004 0.000 0.988 125 D HN 0.872 nan 8.370 nan 0.000 0.417 126 D N 0.961 121.365 120.400 0.006 0.000 2.730 126 D HA -0.133 4.507 4.640 0.000 0.000 0.227 126 D C 1.170 177.477 176.300 0.011 0.000 1.196 126 D CA 2.658 56.666 54.000 0.014 0.000 0.620 126 D CB -1.407 39.411 40.800 0.030 0.000 1.012 126 D HN 1.565 nan 8.370 nan 0.000 0.411 127 G N -1.102 107.701 108.800 0.004 0.000 2.176 127 G HA2 -0.395 3.565 3.960 0.000 0.000 0.253 127 G HA3 -0.395 3.565 3.960 0.000 0.000 0.253 127 G C 0.958 175.861 174.900 0.006 0.000 0.979 127 G CA 0.642 45.745 45.100 0.005 0.000 0.641 127 G HN 0.635 nan 8.290 nan 0.000 0.530 128 L N -0.043 121.184 121.223 0.007 0.000 1.932 128 L HA 0.195 4.535 4.340 0.000 0.000 0.217 128 L C 1.670 178.542 176.870 0.005 0.000 1.077 128 L CA 1.918 56.762 54.840 0.007 0.000 0.765 128 L CB -0.212 41.852 42.059 0.008 0.000 0.888 128 L HN 0.477 nan 8.230 nan 0.000 0.433 129 I N 0.345 120.917 120.570 0.003 0.000 2.352 129 I HA 0.168 4.338 4.170 0.000 0.000 0.290 129 I C 0.163 176.280 176.117 0.001 0.000 1.036 129 I CA -0.133 61.169 61.300 0.003 0.000 1.336 129 I CB 0.874 38.876 38.000 0.003 0.000 1.407 129 I HN 0.257 nan 8.210 nan 0.000 0.497 130 S N 7.317 123.018 115.700 0.002 0.000 2.681 130 S HA 0.881 5.351 4.470 0.000 0.000 0.299 130 S C -0.488 174.113 174.600 0.001 0.000 1.113 130 S CA -0.864 57.336 58.200 0.001 0.000 1.013 130 S CB 1.472 64.673 63.200 0.001 0.000 1.076 130 S HN 0.665 nan 8.310 nan 0.000 0.534 131 L N -0.055 121.169 121.223 0.001 0.000 2.277 131 L HA 0.685 5.025 4.340 0.000 0.000 0.254 131 L C -0.510 176.362 176.870 0.003 0.000 1.044 131 L CA -0.891 53.951 54.840 0.003 0.000 0.842 131 L CB 1.825 43.886 42.059 0.003 0.000 1.422 131 L HN 0.609 nan 8.230 nan 0.000 0.422 132 E N 0.997 121.200 120.200 0.004 0.000 2.244 132 E HA 0.255 4.605 4.350 0.000 0.000 0.260 132 E C -1.284 175.319 176.600 0.005 0.000 0.884 132 E CA -0.488 55.915 56.400 0.004 0.000 0.777 132 E CB 2.634 32.337 29.700 0.004 0.000 1.197 132 E HN 0.214 nan 8.360 nan 0.000 0.416 133 V N 5.252 125.170 119.914 0.006 0.000 2.359 133 V HA -0.034 4.086 4.120 0.000 0.000 0.248 133 V C 1.347 177.445 176.094 0.006 0.000 1.091 133 V CA 0.454 62.758 62.300 0.007 0.000 1.103 133 V CB -0.863 30.965 31.823 0.008 0.000 1.176 133 V HN 0.577 nan 8.190 nan 0.000 0.488 134 N N 2.996 121.699 118.700 0.005 0.000 2.054 134 N HA 0.072 4.812 4.740 0.000 0.000 0.193 134 N C 0.769 176.281 175.510 0.004 0.000 1.066 134 N CA 1.061 54.114 53.050 0.004 0.000 0.853 134 N CB 0.055 38.544 38.487 0.004 0.000 1.048 134 N HN 0.665 nan 8.380 nan 0.000 0.431 135 A N 0.444 123.266 122.820 0.004 0.000 2.322 135 A HA 0.620 4.940 4.320 0.000 0.000 0.327 135 A C -0.845 176.741 177.584 0.003 0.000 1.134 135 A CA -0.420 51.619 52.037 0.003 0.000 0.831 135 A CB 1.611 20.613 19.000 0.002 0.000 1.288 135 A HN 0.048 nan 8.150 nan 0.000 0.472 136 V N 2.198 122.114 119.914 0.002 0.000 2.383 136 V HA 0.153 4.273 4.120 0.000 0.000 0.264 136 V C -0.614 175.480 176.094 -0.000 0.000 1.001 136 V CA -0.448 61.853 62.300 0.002 0.000 0.828 136 V CB 0.911 32.735 31.823 0.002 0.000 1.069 136 V HN 0.926 nan 8.190 nan 0.000 0.451 137 D N 3.003 123.403 120.400 -0.000 0.000 2.540 137 D HA 0.006 4.646 4.640 0.000 0.000 0.237 137 D C 1.369 177.667 176.300 -0.004 0.000 1.181 137 D CA 0.142 54.141 54.000 -0.002 0.000 1.119 137 D CB 0.754 41.554 40.800 -0.001 0.000 1.119 137 D HN 0.344 nan 8.370 nan 0.000 0.498 138 K N 2.015 122.412 120.400 -0.005 0.000 2.281 138 K HA -0.196 4.124 4.320 0.000 0.000 0.203 138 K C 1.663 178.257 176.600 -0.010 0.000 1.046 138 K CA 1.203 57.485 56.287 -0.009 0.000 0.938 138 K CB -0.002 32.493 32.500 -0.008 0.000 0.737 138 K HN 0.503 nan 8.250 nan 0.000 0.458 139 Q N -0.591 119.204 119.800 -0.007 0.000 1.916 139 Q HA -0.101 4.239 4.340 0.000 0.000 0.203 139 Q C 1.711 177.707 176.000 -0.008 0.000 0.983 139 Q CA 1.770 57.569 55.803 -0.007 0.000 0.846 139 Q CB -0.361 28.374 28.738 -0.005 0.000 0.909 139 Q HN 0.334 nan 8.270 nan 0.000 0.427 140 A N -0.106 122.711 122.820 -0.006 0.000 2.216 140 A HA 0.140 4.460 4.320 0.000 0.000 0.214 140 A C 1.213 178.794 177.584 -0.006 0.000 1.160 140 A CA 1.018 53.051 52.037 -0.005 0.000 0.725 140 A CB -0.865 18.134 19.000 -0.003 0.000 0.784 140 A HN 0.781 nan 8.150 nan 0.000 0.472 141 G N -0.344 108.451 108.800 -0.008 0.000 2.324 141 G HA2 -0.197 3.763 3.960 0.000 0.000 0.292 141 G HA3 -0.197 3.763 3.960 0.000 0.000 0.292 141 G C -0.421 174.475 174.900 -0.006 0.000 1.079 141 G CA 0.343 45.436 45.100 -0.011 0.000 1.026 141 G HN 0.658 nan 8.290 nan 0.000 0.506 142 E N -0.420 119.779 120.200 -0.002 0.000 2.316 142 E HA 0.325 4.675 4.350 0.000 0.000 0.254 142 E C 0.069 176.671 176.600 0.003 0.000 0.902 142 E CA -0.881 55.521 56.400 0.002 0.000 0.801 142 E CB 1.898 31.601 29.700 0.004 0.000 1.270 142 E HN 0.423 nan 8.360 nan 0.000 0.414 143 I N 3.917 124.490 120.570 0.005 0.000 2.494 143 I HA 0.069 4.239 4.170 0.000 0.000 0.289 143 I C -0.618 175.503 176.117 0.007 0.000 1.106 143 I CA -0.397 60.907 61.300 0.007 0.000 1.369 143 I CB 0.289 38.296 38.000 0.010 0.000 1.410 143 I HN 0.188 nan 8.210 nan 0.000 0.523 144 V N 7.092 127.009 119.914 0.006 0.000 2.498 144 V HA 0.396 4.516 4.120 0.000 0.000 0.279 144 V C 0.562 176.660 176.094 0.006 0.000 1.048 144 V CA -0.044 62.259 62.300 0.006 0.000 0.967 144 V CB 1.025 32.851 31.823 0.004 0.000 0.988 144 V HN 0.899 nan 8.190 nan 0.000 0.473 145 T N 0.669 115.227 114.554 0.006 0.000 2.841 145 T HA 0.571 4.921 4.350 0.000 0.000 0.296 145 T C -0.554 174.149 174.700 0.005 0.000 1.166 145 T CA -0.721 61.383 62.100 0.006 0.000 1.007 145 T CB 2.153 71.025 68.868 0.006 0.000 1.253 145 T HN 0.433 nan 8.240 nan 0.000 0.511 146 T N 1.768 116.324 114.554 0.005 0.000 2.815 146 T HA 0.504 4.854 4.350 0.000 0.000 0.289 146 T C 0.012 174.714 174.700 0.004 0.000 1.000 146 T CA -0.482 61.621 62.100 0.004 0.000 0.958 146 T CB 0.984 69.854 68.868 0.004 0.000 0.944 146 T HN 0.723 nan 8.240 nan 0.000 0.442 147 V N 6.029 125.945 119.914 0.004 0.000 2.625 147 V HA 0.004 4.124 4.120 0.000 0.000 0.305 147 V C 1.077 177.173 176.094 0.004 0.000 1.055 147 V CA 0.735 63.038 62.300 0.004 0.000 1.209 147 V CB -0.366 31.459 31.823 0.004 0.000 0.877 147 V HN 0.785 nan 8.190 nan 0.000 0.489 148 L N 3.242 124.467 121.223 0.003 0.000 2.714 148 L HA 0.271 4.611 4.340 0.000 0.000 0.184 148 L C 1.403 178.275 176.870 0.003 0.000 1.317 148 L CA -0.019 54.823 54.840 0.003 0.000 2.279 148 L CB -0.118 41.942 42.059 0.003 0.000 2.140 148 L HN 0.643 nan 8.230 nan 0.000 1.029 149 N N 0.782 119.484 118.700 0.003 0.000 3.027 149 N HA 0.035 4.775 4.740 0.000 0.000 0.309 149 N C 0.355 175.867 175.510 0.004 0.000 1.222 149 N CA -0.373 52.679 53.050 0.004 0.000 1.187 149 N CB 0.092 38.582 38.487 0.004 0.000 1.458 149 N HN 0.441 nan 8.380 nan 0.000 0.535 150 G N 0.362 109.165 108.800 0.004 0.000 2.785 150 G HA2 0.401 4.361 3.960 0.000 0.000 0.256 150 G HA3 0.401 4.361 3.960 0.000 0.000 0.256 150 G C 0.380 175.283 174.900 0.005 0.000 1.248 150 G CA 0.157 45.260 45.100 0.004 0.000 0.914 150 G HN 0.632 nan 8.290 nan 0.000 0.580 151 G N -2.730 106.073 108.800 0.005 0.000 2.344 151 G HA2 0.445 4.405 3.960 0.000 0.000 0.282 151 G HA3 0.445 4.405 3.960 0.000 0.000 0.282 151 G C -1.217 173.686 174.900 0.006 0.000 1.281 151 G CA 0.109 45.212 45.100 0.005 0.000 0.877 151 G HN 1.487 nan 8.290 nan 0.000 0.494 152 V N 0.323 120.241 119.914 0.006 0.000 2.465 152 V HA 0.740 4.860 4.120 0.000 0.000 0.279 152 V C -0.661 175.437 176.094 0.007 0.000 1.045 152 V CA -0.608 61.695 62.300 0.006 0.000 0.938 152 V CB 1.096 32.923 31.823 0.006 0.000 0.986 152 V HN 1.087 nan 8.190 nan 0.000 0.467 153 L N 8.043 129.270 121.223 0.007 0.000 2.345 153 L HA 0.551 4.891 4.340 0.000 0.000 0.274 153 L C 0.020 176.896 176.870 0.010 0.000 0.999 153 L CA -0.343 54.501 54.840 0.008 0.000 0.849 153 L CB 1.170 43.233 42.059 0.007 0.000 1.220 153 L HN 0.855 nan 8.230 nan 0.000 0.422 154 K N 3.102 123.508 120.400 0.010 0.000 2.761 154 K HA 0.442 4.762 4.320 0.000 0.000 0.286 154 K C -0.274 176.336 176.600 0.016 0.000 1.019 154 K CA -0.734 55.560 56.287 0.013 0.000 1.070 154 K CB 0.280 32.787 32.500 0.012 0.000 1.387 154 K HN 0.480 nan 8.250 nan 0.000 0.509 155 N N 1.277 119.989 118.700 0.019 0.000 2.525 155 N HA -0.008 4.732 4.740 0.000 0.000 0.271 155 N C -0.913 174.610 175.510 0.022 0.000 1.194 155 N CA 0.004 53.069 53.050 0.026 0.000 0.964 155 N CB 0.824 39.329 38.487 0.030 0.000 1.126 155 N HN 0.708 nan 8.380 nan 0.000 0.452 156 K N -0.747 119.666 120.400 0.022 0.000 3.777 156 K HA -0.232 4.088 4.320 0.000 0.000 0.276 156 K C -0.767 175.832 176.600 -0.002 0.000 0.877 156 K CA 1.216 57.506 56.287 0.006 0.000 0.724 156 K CB -1.141 31.372 32.500 0.023 0.000 1.589 156 K HN 0.350 nan 8.250 nan 0.000 0.444 157 K N 0.742 121.136 120.400 -0.011 0.000 2.106 157 K HA 0.465 4.785 4.320 0.000 0.000 0.246 157 K C 0.891 177.474 176.600 -0.028 0.000 0.987 157 K CA -0.151 56.130 56.287 -0.009 0.000 0.904 157 K CB 1.172 33.670 32.500 -0.004 0.000 1.071 157 K HN 0.470 nan 8.250 nan 0.000 0.453 158 G N 0.220 109.006 108.800 -0.023 0.000 2.365 158 G HA2 0.250 4.210 3.960 0.000 0.000 0.249 158 G HA3 0.250 4.210 3.960 0.000 0.000 0.249 158 G C -0.469 174.397 174.900 -0.057 0.000 1.288 158 G CA -0.387 44.685 45.100 -0.046 0.000 0.887 158 G HN 0.184 nan 8.290 nan 0.000 0.524 159 V N 4.935 124.798 119.914 -0.085 0.000 2.328 159 V HA 0.258 4.378 4.120 0.000 0.000 0.278 159 V C -0.213 175.822 176.094 -0.098 0.000 1.021 159 V CA -0.935 61.317 62.300 -0.079 0.000 0.838 159 V CB 0.684 32.458 31.823 -0.083 0.000 0.999 159 V HN 0.735 nan 8.190 nan 0.000 0.447 160 N N 3.740 122.398 118.700 -0.069 0.000 2.361 160 N HA 0.492 5.232 4.740 0.000 0.000 0.302 160 N C -0.370 175.110 175.510 -0.050 0.000 1.074 160 N CA -0.503 52.505 53.050 -0.070 0.000 0.850 160 N CB 2.826 41.286 38.487 -0.043 0.000 1.228 160 N HN 0.332 nan 8.380 nan 0.000 0.491 161 V N 0.317 120.199 119.914 -0.053 0.000 2.915 161 V HA 0.178 4.298 4.120 0.000 0.000 0.364 161 V C -2.337 173.746 176.094 -0.018 0.000 1.354 161 V CA -1.201 61.081 62.300 -0.030 0.000 1.213 161 V CB -0.092 31.717 31.823 -0.023 0.000 1.268 161 V HN 0.552 nan 8.190 nan 0.000 0.557 162 P HA 0.287 nan 4.420 nan 0.000 0.260 162 P C 1.006 178.305 177.300 -0.002 0.000 1.185 162 P CA 2.023 65.118 63.100 -0.007 0.000 0.763 162 P CB 0.726 32.422 31.700 -0.007 0.000 0.776 163 G N 2.077 110.877 108.800 -0.000 0.000 2.793 163 G HA2 -0.192 3.768 3.960 0.000 0.000 0.197 163 G HA3 -0.192 3.768 3.960 0.000 0.000 0.197 163 G C -0.176 174.727 174.900 0.004 0.000 2.112 163 G CA -0.033 45.068 45.100 0.003 0.000 1.556 163 G HN 0.680 nan 8.290 nan 0.000 0.534 164 V N 3.727 123.644 119.914 0.006 0.000 2.924 164 V HA 0.518 4.638 4.120 0.000 0.000 0.305 164 V C 0.290 176.387 176.094 0.006 0.000 1.073 164 V CA 0.264 62.572 62.300 0.013 0.000 1.098 164 V CB 1.081 32.921 31.823 0.028 0.000 1.000 164 V HN 0.518 nan 8.190 nan 0.000 0.484 165 K N 5.962 126.371 120.400 0.014 0.000 2.264 165 K HA 0.495 4.815 4.320 0.000 0.000 0.277 165 K C -0.873 175.735 176.600 0.014 0.000 1.067 165 K CA -0.595 55.696 56.287 0.007 0.000 0.900 165 K CB 1.232 33.740 32.500 0.013 0.000 1.124 165 K HN 0.400 nan 8.250 nan 0.000 0.469 166 V N 2.926 122.818 119.914 -0.037 0.000 2.686 166 V HA 0.022 4.142 4.120 0.000 0.000 0.295 166 V C 0.335 176.413 176.094 -0.026 0.000 1.055 166 V CA -0.555 61.692 62.300 -0.089 0.000 1.050 166 V CB 0.798 32.417 31.823 -0.340 0.000 0.984 166 V HN 0.766 nan 8.190 nan 0.000 0.482 167 N N 4.811 123.555 118.700 0.074 0.000 2.546 167 N HA 0.432 5.172 4.740 0.000 0.000 0.238 167 N C -1.038 174.534 175.510 0.103 0.000 0.984 167 N CA -0.203 52.902 53.050 0.093 0.000 0.935 167 N CB 1.326 39.886 38.487 0.122 0.000 1.122 167 N HN 0.525 nan 8.380 nan 0.000 0.510 168 L N 4.485 125.736 121.223 0.047 0.000 2.495 168 L HA 0.359 4.699 4.340 0.000 0.000 0.248 168 L C -2.009 174.886 176.870 0.042 0.000 1.229 168 L CA -1.407 53.465 54.840 0.054 0.000 0.942 168 L CB 1.391 43.445 42.059 -0.007 0.000 1.242 168 L HN 0.190 nan 8.230 nan 0.000 0.484 169 P HA 0.254 nan 4.420 nan 0.000 0.272 169 P C 0.352 177.674 177.300 0.037 0.000 1.230 169 P CA 0.479 63.603 63.100 0.040 0.000 0.788 169 P CB 1.205 32.928 31.700 0.038 0.000 0.949 170 G N 1.592 110.411 108.800 0.031 0.000 2.819 170 G HA2 -0.090 3.870 3.960 0.000 0.000 0.682 170 G HA3 -0.090 3.870 3.960 0.000 0.000 0.682 170 G C -0.236 174.683 174.900 0.033 0.000 1.481 170 G CA -0.264 44.855 45.100 0.031 0.000 0.904 170 G HN 0.759 nan 8.290 nan 0.000 0.563 171 I N -0.662 119.927 120.570 0.032 0.000 2.677 171 I HA 0.747 4.917 4.170 0.000 0.000 0.305 171 I C 1.169 177.309 176.117 0.038 0.000 0.988 171 I CA -0.043 61.277 61.300 0.034 0.000 1.260 171 I CB 0.420 38.437 38.000 0.028 0.000 1.410 171 I HN 1.237 nan 8.210 nan 0.000 0.523 172 T N 1.462 116.041 114.554 0.042 0.000 2.855 172 T HA 0.052 4.402 4.350 0.000 0.000 0.322 172 T C 0.930 175.658 174.700 0.046 0.000 1.088 172 T CA 0.172 62.298 62.100 0.044 0.000 1.104 172 T CB 0.519 69.416 68.868 0.048 0.000 0.996 172 T HN 0.667 nan 8.240 nan 0.000 0.549 173 E N 0.905 121.132 120.200 0.046 0.000 2.085 173 E HA -0.088 4.262 4.350 0.000 0.000 0.194 173 E C 2.000 178.635 176.600 0.058 0.000 0.994 173 E CA 1.417 57.845 56.400 0.047 0.000 0.801 173 E CB -0.304 29.420 29.700 0.040 0.000 0.743 173 E HN 0.751 nan 8.360 nan 0.000 0.453 174 K N 1.239 121.675 120.400 0.060 0.000 2.001 174 K HA -0.130 4.190 4.320 0.000 0.000 0.208 174 K C 1.425 178.088 176.600 0.106 0.000 1.048 174 K CA 1.748 58.084 56.287 0.080 0.000 0.932 174 K CB -0.461 32.081 32.500 0.070 0.000 0.715 174 K HN -0.021 nan 8.250 nan 0.000 0.437 175 D N 0.316 120.764 120.400 0.081 0.000 2.149 175 D HA -0.164 4.476 4.640 0.000 0.000 0.198 175 D C 1.992 178.319 176.300 0.045 0.000 0.990 175 D CA 0.851 54.888 54.000 0.062 0.000 0.839 175 D CB -0.142 40.682 40.800 0.041 0.000 0.948 175 D HN 0.243 nan 8.370 nan 0.000 0.460 176 R N 0.575 121.104 120.500 0.048 0.000 2.083 176 R HA -0.119 4.221 4.340 0.000 0.000 0.237 176 R C 2.169 178.497 176.300 0.048 0.000 1.137 176 R CA 1.419 57.540 56.100 0.035 0.000 0.951 176 R CB -0.227 30.100 30.300 0.044 0.000 0.851 176 R HN 0.117 nan 8.270 nan 0.000 0.434 177 A N 1.163 124.045 122.820 0.103 0.000 1.902 177 A HA -0.183 4.137 4.320 0.000 0.000 0.217 177 A C 1.637 179.365 177.584 0.239 0.000 1.181 177 A CA 1.853 53.999 52.037 0.181 0.000 0.623 177 A CB -0.423 18.709 19.000 0.220 0.000 0.818 177 A HN 0.318 nan 8.150 nan 0.000 0.443 178 D N 0.098 120.637 120.400 0.231 0.000 2.084 178 D HA -0.123 4.517 4.640 0.000 0.000 0.194 178 D C 1.864 178.139 176.300 -0.041 0.000 0.990 178 D CA 1.185 55.295 54.000 0.183 0.000 0.826 178 D CB -0.428 40.470 40.800 0.163 0.000 0.971 178 D HN 0.497 nan 8.370 nan 0.000 0.453 179 I N 0.752 121.274 120.570 -0.080 0.000 2.069 179 I HA -0.300 3.870 4.170 0.000 0.000 0.237 179 I C 2.533 178.562 176.117 -0.146 0.000 1.053 179 I CA 0.983 62.199 61.300 -0.140 0.000 1.311 179 I CB -0.284 37.650 38.000 -0.110 0.000 1.030 179 I HN 0.002 nan 8.210 nan 0.000 0.398 180 L N -0.417 120.728 121.223 -0.130 0.000 2.043 180 L HA -0.290 4.050 4.340 0.000 0.000 0.212 180 L C 2.620 179.430 176.870 -0.099 0.000 1.075 180 L CA 1.580 56.309 54.840 -0.185 0.000 0.752 180 L CB -0.752 41.198 42.059 -0.182 0.000 0.891 180 L HN 0.272 nan 8.230 nan 0.000 0.432 181 F N 1.008 120.851 119.950 -0.179 0.000 2.126 181 F HA -0.140 4.387 4.527 0.000 0.000 0.299 181 F C 2.196 177.893 175.800 -0.172 0.000 1.096 181 F CA 1.526 59.400 58.000 -0.210 0.000 1.255 181 F CB -0.731 37.961 39.000 -0.512 0.000 0.997 181 F HN -0.027 nan 8.300 nan 0.000 0.479 182 G N 0.737 109.331 108.800 -0.344 0.000 2.422 182 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 182 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 182 G C 1.839 176.550 174.900 -0.314 0.000 1.146 182 G CA 1.128 45.987 45.100 -0.402 0.000 0.769 182 G HN 0.484 nan 8.290 nan 0.000 0.547 183 I N 0.252 120.678 120.570 -0.241 0.000 2.202 183 I HA -0.131 4.039 4.170 0.000 0.000 0.242 183 I C 2.207 178.233 176.117 -0.151 0.000 1.091 183 I CA 0.149 61.350 61.300 -0.165 0.000 1.368 183 I CB 0.030 37.945 38.000 -0.142 0.000 1.058 183 I HN -0.512 nan 8.210 nan 0.000 0.410 184 R N 0.608 120.996 120.500 -0.187 0.000 2.083 184 R HA -0.119 4.221 4.340 0.000 0.000 0.237 184 R C 1.887 178.065 176.300 -0.205 0.000 1.137 184 R CA 0.866 56.873 56.100 -0.154 0.000 0.951 184 R CB -0.181 30.046 30.300 -0.122 0.000 0.851 184 R HN 0.311 nan 8.270 nan 0.000 0.434 185 Q N -0.592 119.006 119.800 -0.336 0.000 2.226 185 Q HA -0.052 4.288 4.340 0.000 0.000 0.204 185 Q C 0.961 176.853 176.000 -0.181 0.000 0.975 185 Q CA 1.311 56.917 55.803 -0.328 0.000 0.866 185 Q CB -0.138 28.249 28.738 -0.584 0.000 0.915 185 Q HN 0.630 nan 8.270 nan 0.000 0.440 186 G N 1.781 110.493 108.800 -0.146 0.000 2.291 186 G HA2 -0.247 3.713 3.960 0.000 0.000 0.271 186 G HA3 -0.247 3.713 3.960 0.000 0.000 0.271 186 G C 0.266 175.136 174.900 -0.050 0.000 1.099 186 G CA 0.406 45.471 45.100 -0.058 0.000 0.919 186 G HN 0.453 nan 8.290 nan 0.000 0.496 187 I N -2.433 118.083 120.570 -0.090 0.000 3.138 187 I HA 0.169 4.339 4.170 0.000 0.000 0.288 187 I C -0.254 175.822 176.117 -0.069 0.000 1.148 187 I CA -0.823 60.431 61.300 -0.077 0.000 1.315 187 I CB 0.779 38.709 38.000 -0.116 0.000 1.426 187 I HN -0.480 nan 8.210 nan 0.000 0.615 188 D N 0.344 120.695 120.400 -0.081 0.000 2.379 188 D HA 0.042 4.682 4.640 0.000 0.000 0.218 188 D C 0.373 176.353 176.300 -0.533 0.000 1.006 188 D CA 0.448 54.295 54.000 -0.256 0.000 0.893 188 D CB 0.535 41.209 40.800 -0.209 0.000 1.019 188 D HN 0.149 nan 8.370 nan 0.000 0.503 189 F N -0.284 119.632 119.950 -0.057 0.000 2.603 189 F HA 0.362 4.889 4.527 -0.000 0.000 0.317 189 F C -0.752 174.984 175.800 -0.106 0.000 1.066 189 F CA -0.851 57.106 58.000 -0.072 0.000 0.941 189 F CB 1.679 40.648 39.000 -0.051 0.000 1.291 189 F HN -0.763 nan 8.300 nan 0.000 0.472 190 I N 1.886 122.529 120.570 0.122 0.000 2.497 190 I HA 0.450 4.620 4.170 0.000 0.000 0.284 190 I C -0.924 175.193 176.117 -0.001 0.000 1.060 190 I CA -0.780 60.515 61.300 -0.008 0.000 1.071 190 I CB 1.766 39.723 38.000 -0.072 0.000 1.216 190 I HN 0.662 nan 8.210 nan 0.000 0.442 191 A N 5.372 128.172 122.820 -0.035 0.000 2.279 191 A HA 0.767 5.087 4.320 0.000 0.000 0.306 191 A C 0.334 177.873 177.584 -0.075 0.000 1.300 191 A CA -0.374 51.630 52.037 -0.055 0.000 0.925 191 A CB 0.419 19.376 19.000 -0.072 0.000 1.152 191 A HN 0.772 nan 8.150 nan 0.000 0.544 192 A N 3.426 126.207 122.820 -0.065 0.000 2.347 192 A HA 0.554 4.874 4.320 0.000 0.000 0.287 192 A C 0.676 178.200 177.584 -0.099 0.000 1.199 192 A CA -0.221 51.779 52.037 -0.061 0.000 0.851 192 A CB -0.127 18.853 19.000 -0.033 0.000 1.118 192 A HN 0.783 nan 8.150 nan 0.000 0.525 193 S N 1.522 117.144 115.700 -0.130 0.000 2.576 193 S HA 0.428 4.898 4.470 0.000 0.000 0.276 193 S C -0.161 174.349 174.600 -0.150 0.000 1.339 193 S CA -0.088 57.908 58.200 -0.340 0.000 1.039 193 S CB -0.324 62.612 63.200 -0.440 0.000 0.902 193 S HN 0.804 nan 8.310 nan 0.000 0.516 194 F N -0.397 119.540 119.950 -0.022 0.000 2.891 194 F HA -0.156 4.372 4.527 0.001 0.000 0.272 194 F C 0.069 175.853 175.800 -0.027 0.000 1.004 194 F CA -0.414 57.569 58.000 -0.028 0.000 0.938 194 F CB -2.189 36.789 39.000 -0.036 0.000 0.939 194 F HN 0.194 nan 8.300 nan 0.000 0.833 195 V N 2.769 122.720 119.914 0.061 0.000 2.455 195 V HA 0.175 4.295 4.120 0.000 0.000 0.273 195 V C 1.506 177.624 176.094 0.041 0.000 1.045 195 V CA 0.076 62.399 62.300 0.039 0.000 0.976 195 V CB 1.279 33.105 31.823 0.004 0.000 0.993 195 V HN 0.587 nan 8.190 nan 0.000 0.475 196 R N 4.272 124.795 120.500 0.038 0.000 2.307 196 R HA 0.371 4.711 4.340 0.000 0.000 0.200 196 R C 0.616 176.925 176.300 0.016 0.000 0.893 196 R CA -0.144 55.971 56.100 0.025 0.000 1.042 196 R CB 0.825 31.139 30.300 0.022 0.000 1.059 196 R HN 0.545 nan 8.270 nan 0.000 0.530 197 R N -1.157 119.352 120.500 0.015 0.000 2.734 197 R HA 0.490 4.830 4.340 0.000 0.000 0.271 197 R C 0.112 176.418 176.300 0.009 0.000 1.021 197 R CA 0.039 56.146 56.100 0.011 0.000 0.893 197 R CB 1.580 31.887 30.300 0.012 0.000 1.244 197 R HN -0.002 nan 8.270 nan 0.000 0.464 198 A N 0.513 123.336 122.820 0.006 0.000 1.940 198 A HA -0.214 4.106 4.320 0.000 0.000 0.219 198 A C 1.884 179.471 177.584 0.006 0.000 1.176 198 A CA 2.413 54.452 52.037 0.004 0.000 0.631 198 A CB -0.744 18.257 19.000 0.003 0.000 0.814 198 A HN 0.782 nan 8.150 nan 0.000 0.446 199 S N 0.191 115.896 115.700 0.008 0.000 2.400 199 S HA -0.210 4.260 4.470 0.000 0.000 0.232 199 S C 1.394 176.001 174.600 0.012 0.000 1.025 199 S CA 1.448 59.654 58.200 0.010 0.000 0.993 199 S CB -0.569 62.638 63.200 0.013 0.000 0.808 199 S HN 0.592 nan 8.310 nan 0.000 0.478 200 D N 1.352 121.760 120.400 0.013 0.000 2.144 200 D HA -0.032 4.608 4.640 0.000 0.000 0.199 200 D C 2.102 178.408 176.300 0.009 0.000 0.984 200 D CA 1.165 55.174 54.000 0.016 0.000 0.834 200 D CB -0.249 40.564 40.800 0.022 0.000 0.955 200 D HN 0.390 nan 8.370 nan 0.000 0.465 201 V N 1.437 121.354 119.914 0.005 0.000 2.379 201 V HA -0.178 3.942 4.120 0.000 0.000 0.245 201 V C 2.680 178.773 176.094 -0.002 0.000 1.044 201 V CA 0.906 63.206 62.300 -0.001 0.000 1.036 201 V CB -0.425 31.396 31.823 -0.002 0.000 0.664 201 V HN 0.168 nan 8.190 nan 0.000 0.453 202 L N -0.233 120.991 121.223 0.001 0.000 2.042 202 L HA -0.220 4.120 4.340 0.000 0.000 0.210 202 L C 2.574 179.446 176.870 0.003 0.000 1.076 202 L CA 1.734 56.575 54.840 0.001 0.000 0.749 202 L CB -0.706 41.355 42.059 0.003 0.000 0.893 202 L HN 0.386 nan 8.230 nan 0.000 0.432 203 E N 0.389 120.593 120.200 0.007 0.000 2.085 203 E HA -0.241 4.109 4.350 0.000 0.000 0.194 203 E C 2.239 178.844 176.600 0.008 0.000 0.994 203 E CA 1.406 57.813 56.400 0.011 0.000 0.801 203 E CB -0.123 29.586 29.700 0.015 0.000 0.743 203 E HN 0.506 nan 8.360 nan 0.000 0.453 204 I N 0.334 120.904 120.570 0.000 0.000 2.353 204 I HA -0.204 3.966 4.170 0.000 0.000 0.248 204 I C 2.551 178.660 176.117 -0.014 0.000 1.119 204 I CA 0.644 61.938 61.300 -0.010 0.000 1.417 204 I CB -0.116 37.871 38.000 -0.022 0.000 1.078 204 I HN -0.007 nan 8.210 nan 0.000 0.421 205 R N 1.509 122.001 120.500 -0.013 0.000 2.070 205 R HA -0.222 4.118 4.340 0.000 0.000 0.233 205 R C 2.198 178.494 176.300 -0.008 0.000 1.137 205 R CA 1.927 58.017 56.100 -0.017 0.000 0.945 205 R CB -0.459 29.832 30.300 -0.014 0.000 0.845 205 R HN 0.376 nan 8.270 nan 0.000 0.430 206 E N -0.305 119.896 120.200 0.001 0.000 2.070 206 E HA -0.256 4.094 4.350 0.000 0.000 0.197 206 E C 1.842 178.454 176.600 0.020 0.000 1.004 206 E CA 1.677 58.080 56.400 0.006 0.000 0.805 206 E CB -0.259 29.446 29.700 0.008 0.000 0.744 206 E HN 0.288 nan 8.360 nan 0.000 0.451 207 L N 0.848 122.092 121.223 0.036 0.000 2.042 207 L HA -0.166 4.174 4.340 0.000 0.000 0.210 207 L C 2.231 179.173 176.870 0.119 0.000 1.076 207 L CA 1.598 56.493 54.840 0.091 0.000 0.749 207 L CB -0.381 41.722 42.059 0.073 0.000 0.893 207 L HN 0.254 nan 8.230 nan 0.000 0.432 208 L N -0.629 120.617 121.223 0.038 0.000 2.083 208 L HA -0.209 4.131 4.340 0.000 0.000 0.209 208 L C 2.567 179.448 176.870 0.018 0.000 1.083 208 L CA 1.653 56.498 54.840 0.008 0.000 0.752 208 L CB -0.664 41.356 42.059 -0.064 0.000 0.899 208 L HN 0.468 nan 8.230 nan 0.000 0.433 209 E N 0.673 120.876 120.200 0.005 0.000 2.106 209 E HA -0.209 4.141 4.350 0.000 0.000 0.192 209 E C 2.125 178.714 176.600 -0.019 0.000 0.984 209 E CA 1.064 57.460 56.400 -0.007 0.000 0.806 209 E CB 0.049 29.742 29.700 -0.011 0.000 0.750 209 E HN 0.448 nan 8.360 nan 0.000 0.458 210 A N -0.093 122.710 122.820 -0.028 0.000 2.167 210 A HA -0.079 4.241 4.320 0.000 0.000 0.214 210 A C 1.183 178.587 177.584 -0.300 0.000 1.151 210 A CA 0.718 52.674 52.037 -0.136 0.000 0.735 210 A CB -0.171 18.743 19.000 -0.143 0.000 0.802 210 A HN 0.342 nan 8.150 nan 0.000 0.467 211 H N -1.114 117.947 119.070 -0.015 0.000 2.512 211 H HA 0.007 4.563 4.556 0.000 0.000 0.276 211 H C -0.665 174.658 175.328 -0.009 0.000 1.126 211 H CA -0.611 55.431 56.048 -0.011 0.000 1.060 211 H CB 0.128 29.880 29.762 -0.017 0.000 1.646 211 H HN -0.338 nan 8.280 nan 0.000 0.571 212 D N 2.038 122.467 120.400 0.048 0.000 2.686 212 D HA -0.171 4.469 4.640 0.000 0.000 0.235 212 D C -0.238 176.104 176.300 0.071 0.000 1.160 212 D CA 0.010 54.036 54.000 0.043 0.000 0.645 212 D CB 0.017 40.838 40.800 0.035 0.000 1.039 212 D HN 0.124 nan 8.370 nan 0.000 0.423 213 A N -0.192 122.644 122.820 0.026 0.000 2.643 213 A HA 0.247 4.567 4.320 0.000 0.000 0.295 213 A C 1.695 179.122 177.584 -0.261 0.000 1.065 213 A CA -0.345 51.645 52.037 -0.079 0.000 0.986 213 A CB 0.218 19.151 19.000 -0.111 0.000 1.212 213 A HN 0.044 nan 8.150 nan 0.000 0.516 214 L N 1.606 122.769 121.223 -0.100 0.000 2.879 214 L HA -0.163 4.177 4.340 0.000 0.000 0.254 214 L C -0.413 176.370 176.870 -0.145 0.000 1.157 214 L CA 0.759 55.535 54.840 -0.106 0.000 0.886 214 L CB -0.771 41.267 42.059 -0.034 0.000 1.076 214 L HN 0.571 nan 8.230 nan 0.000 0.446 215 H N -2.386 116.641 119.070 -0.073 0.000 2.654 215 H HA -0.001 nan 4.556 nan 0.000 0.264 215 H C 1.075 176.310 175.328 -0.155 0.000 0.954 215 H CA -0.205 55.786 56.048 -0.094 0.000 1.199 215 H CB -0.122 29.587 29.762 -0.088 0.000 1.446 215 H HN -0.081 7.570 8.280 -0.939 0.065 0.516 216 I N 3.315 123.541 120.570 -0.572 0.000 2.581 216 I HA -0.025 4.145 4.170 0.000 0.000 0.285 216 I C 0.278 176.238 176.117 -0.263 0.000 1.129 216 I CA 0.269 61.309 61.300 -0.434 0.000 1.397 216 I CB 0.395 38.131 38.000 -0.441 0.000 1.399 216 I HN 0.129 nan 8.210 nan 0.000 0.537 217 Q N 6.741 126.372 119.800 -0.282 0.000 2.293 217 Q HA 0.456 4.796 4.340 0.000 0.000 0.251 217 Q C -0.355 175.670 176.000 0.041 0.000 0.930 217 Q CA -0.200 55.551 55.803 -0.087 0.000 0.893 217 Q CB 2.098 30.838 28.738 0.004 0.000 1.215 217 Q HN 0.554 nan 8.270 nan 0.000 0.425 218 I N 3.464 124.063 120.570 0.049 0.000 2.328 218 I HA 0.215 4.385 4.170 0.000 0.000 0.287 218 I C -0.374 175.776 176.117 0.054 0.000 1.012 218 I CA -0.672 60.651 61.300 0.038 0.000 1.195 218 I CB 0.999 38.998 38.000 -0.002 0.000 1.350 218 I HN 0.273 nan 8.210 nan 0.000 0.464 219 I N 6.035 126.636 120.570 0.051 0.000 2.297 219 I HA 0.314 4.484 4.170 0.000 0.000 0.291 219 I C 0.753 176.855 176.117 -0.025 0.000 1.033 219 I CA -0.483 60.821 61.300 0.005 0.000 1.253 219 I CB 1.053 39.032 38.000 -0.034 0.000 1.396 219 I HN 0.511 nan 8.210 nan 0.000 0.476 220 A N 7.753 130.557 122.820 -0.027 0.000 2.404 220 A HA 0.307 4.627 4.320 0.000 0.000 0.273 220 A C 0.338 177.889 177.584 -0.054 0.000 1.144 220 A CA -0.419 51.597 52.037 -0.035 0.000 0.806 220 A CB 0.024 19.010 19.000 -0.022 0.000 1.080 220 A HN 0.642 nan 8.150 nan 0.000 0.509 221 K N 3.042 123.395 120.400 -0.078 0.000 2.262 221 K HA 0.356 4.676 4.320 0.000 0.000 0.282 221 K C -0.650 175.895 176.600 -0.090 0.000 1.066 221 K CA -0.393 55.829 56.287 -0.109 0.000 0.901 221 K CB 1.005 33.395 32.500 -0.184 0.000 1.089 221 K HN 0.538 nan 8.250 nan 0.000 0.476 222 I N 3.399 123.931 120.570 -0.064 0.000 2.325 222 I HA 0.095 4.265 4.170 0.000 0.000 0.291 222 I C 0.630 176.729 176.117 -0.030 0.000 1.019 222 I CA 0.208 61.489 61.300 -0.032 0.000 1.302 222 I CB 0.830 38.818 38.000 -0.021 0.000 1.401 222 I HN 0.768 nan 8.210 nan 0.000 0.485 223 E N 4.361 124.569 120.200 0.013 0.000 2.789 223 E HA 0.116 4.466 4.350 0.000 0.000 0.217 223 E C -0.503 176.160 176.600 0.105 0.000 0.970 223 E CA -0.237 56.198 56.400 0.057 0.000 1.201 223 E CB 0.694 30.437 29.700 0.071 0.000 1.069 223 E HN 0.851 nan 8.360 nan 0.000 0.499 224 N N -1.495 117.247 118.700 0.070 0.000 3.116 224 N HA 0.089 4.829 4.740 0.000 0.000 0.244 224 N C 0.098 175.625 175.510 0.028 0.000 1.485 224 N CA -0.663 52.418 53.050 0.052 0.000 0.884 224 N CB 0.846 39.366 38.487 0.056 0.000 1.415 224 N HN -0.227 nan 8.380 nan 0.000 0.524 225 E N -0.129 120.081 120.200 0.017 0.000 2.077 225 E HA -0.244 4.106 4.350 0.000 0.000 0.193 225 E C 0.886 177.492 176.600 0.009 0.000 0.989 225 E CA 1.413 57.819 56.400 0.010 0.000 0.800 225 E CB -0.052 29.652 29.700 0.006 0.000 0.746 225 E HN 0.708 nan 8.360 nan 0.000 0.452 226 E N 0.199 120.405 120.200 0.009 0.000 2.038 226 E HA -0.191 4.159 4.350 0.000 0.000 0.195 226 E C 2.229 178.835 176.600 0.010 0.000 1.000 226 E CA 1.286 57.691 56.400 0.008 0.000 0.803 226 E CB -0.265 29.439 29.700 0.007 0.000 0.750 226 E HN 0.296 nan 8.360 nan 0.000 0.448 227 G N 0.091 108.901 108.800 0.017 0.000 2.450 227 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 227 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 227 G C 1.600 176.504 174.900 0.006 0.000 1.130 227 G CA 0.942 46.051 45.100 0.014 0.000 0.760 227 G HN 0.246 nan 8.290 nan 0.000 0.557 228 V N 0.945 120.863 119.914 0.006 0.000 2.488 228 V HA 0.018 4.138 4.120 0.000 0.000 0.246 228 V C 3.209 179.303 176.094 -0.001 0.000 1.046 228 V CA 1.774 64.075 62.300 0.001 0.000 1.053 228 V CB -0.329 31.495 31.823 0.002 0.000 0.679 228 V HN 0.458 nan 8.190 nan 0.000 0.458 229 A N 0.221 123.042 122.820 0.002 0.000 1.930 229 A HA -0.180 4.140 4.320 0.000 0.000 0.217 229 A C 1.807 179.391 177.584 -0.000 0.000 1.175 229 A CA 1.890 53.928 52.037 0.001 0.000 0.627 229 A CB -0.643 18.358 19.000 0.002 0.000 0.815 229 A HN 0.685 nan 8.150 nan 0.000 0.443 230 N N -0.625 118.076 118.700 0.001 0.000 2.322 230 N HA 0.109 4.849 4.740 0.000 0.000 0.194 230 N C 1.166 176.675 175.510 -0.003 0.000 1.126 230 N CA -0.078 52.973 53.050 0.000 0.000 0.845 230 N CB 0.081 38.570 38.487 0.003 0.000 0.976 230 N HN 0.392 nan 8.380 nan 0.000 0.475 231 I N 1.820 122.387 120.570 -0.005 0.000 2.236 231 I HA -0.350 3.820 4.170 0.000 0.000 0.249 231 I C 1.433 177.544 176.117 -0.010 0.000 1.102 231 I CA 1.721 63.016 61.300 -0.009 0.000 1.365 231 I CB -0.155 37.838 38.000 -0.012 0.000 1.051 231 I HN 0.179 nan 8.210 nan 0.000 0.420 232 D N 0.365 120.759 120.400 -0.010 0.000 2.097 232 D HA -0.236 4.404 4.640 0.000 0.000 0.195 232 D C 2.069 178.364 176.300 -0.008 0.000 0.989 232 D CA 1.867 55.861 54.000 -0.010 0.000 0.827 232 D CB -0.387 40.407 40.800 -0.009 0.000 0.966 232 D HN 0.720 nan 8.370 nan 0.000 0.456 233 E N 0.719 120.915 120.200 -0.006 0.000 2.152 233 E HA -0.097 4.253 4.350 0.000 0.000 0.192 233 E C 2.352 178.950 176.600 -0.004 0.000 0.983 233 E CA 0.526 56.923 56.400 -0.004 0.000 0.818 233 E CB -0.419 29.280 29.700 -0.001 0.000 0.758 233 E HN 0.254 nan 8.360 nan 0.000 0.467 234 I N 1.103 121.670 120.570 -0.005 0.000 2.179 234 I HA -0.264 3.906 4.170 0.000 0.000 0.242 234 I C 2.563 178.675 176.117 -0.008 0.000 1.088 234 I CA 1.128 62.425 61.300 -0.005 0.000 1.357 234 I CB -0.207 37.789 38.000 -0.006 0.000 1.051 234 I HN 0.160 nan 8.210 nan 0.000 0.409 235 L N 0.174 121.390 121.223 -0.011 0.000 2.093 235 L HA -0.204 4.136 4.340 0.000 0.000 0.208 235 L C 2.429 179.292 176.870 -0.011 0.000 1.085 235 L CA 1.088 55.920 54.840 -0.013 0.000 0.755 235 L CB -0.361 41.687 42.059 -0.019 0.000 0.904 235 L HN 0.177 nan 8.230 nan 0.000 0.435 236 E N -0.218 119.977 120.200 -0.009 0.000 2.268 236 E HA -0.148 4.202 4.350 0.000 0.000 0.195 236 E C 1.882 178.479 176.600 -0.005 0.000 0.995 236 E CA 1.155 57.551 56.400 -0.007 0.000 0.836 236 E CB 0.088 29.784 29.700 -0.007 0.000 0.763 236 E HN 0.438 nan 8.360 nan 0.000 0.491 237 A N -0.467 122.351 122.820 -0.004 0.000 2.035 237 A HA 0.561 4.881 4.320 0.000 0.000 0.208 237 A C 1.336 178.918 177.584 -0.003 0.000 1.206 237 A CA 0.520 52.555 52.037 -0.003 0.000 0.773 237 A CB -0.038 18.961 19.000 -0.002 0.000 0.878 237 A HN 0.247 nan 8.150 nan 0.000 0.469 238 A N -0.178 122.640 122.820 -0.003 0.000 2.240 238 A HA 0.495 4.815 4.320 0.000 0.000 0.292 238 A C 0.154 177.742 177.584 0.007 0.000 1.121 238 A CA 0.133 52.170 52.037 0.001 0.000 0.851 238 A CB 0.343 19.341 19.000 -0.002 0.000 1.167 238 A HN 0.203 nan 8.150 nan 0.000 0.503 239 D N -0.973 119.439 120.400 0.021 0.000 2.389 239 D HA 0.324 4.964 4.640 0.000 0.000 0.206 239 D C 0.636 176.963 176.300 0.044 0.000 1.055 239 D CA 1.313 55.336 54.000 0.038 0.000 0.856 239 D CB 0.835 41.672 40.800 0.061 0.000 0.957 239 D HN 0.718 nan 8.370 nan 0.000 0.509 240 G N 0.092 108.907 108.800 0.025 0.000 2.488 240 G HA2 0.526 4.486 3.960 0.000 0.000 0.301 240 G HA3 0.526 4.486 3.960 0.000 0.000 0.301 240 G C -2.138 172.749 174.900 -0.022 0.000 1.339 240 G CA -0.606 44.494 45.100 0.000 0.000 0.803 240 G HN 0.053 nan 8.290 nan 0.000 0.482 241 L N -0.106 121.092 121.223 -0.042 0.000 2.424 241 L HA 0.848 5.188 4.340 0.000 0.000 0.258 241 L C -1.218 175.614 176.870 -0.062 0.000 0.995 241 L CA -1.085 53.727 54.840 -0.047 0.000 0.821 241 L CB 2.340 44.376 42.059 -0.040 0.000 1.383 241 L HN 0.737 nan 8.230 nan 0.000 0.410 242 M N 4.045 123.606 119.600 -0.065 0.000 2.142 242 M HA 0.426 4.907 4.480 0.000 0.000 0.299 242 M C -1.808 174.454 176.300 -0.063 0.000 0.960 242 M CA -0.620 54.637 55.300 -0.072 0.000 0.920 242 M CB 1.681 34.228 32.600 -0.088 0.000 1.541 242 M HN 0.322 nan 8.290 nan 0.000 0.429 243 V N 4.827 124.710 119.914 -0.051 0.000 2.353 243 V HA 0.477 4.597 4.120 0.000 0.000 0.264 243 V C 0.259 176.330 176.094 -0.039 0.000 1.049 243 V CA -0.443 61.834 62.300 -0.040 0.000 0.896 243 V CB 0.776 32.582 31.823 -0.029 0.000 1.025 243 V HN 0.873 nan 8.190 nan 0.000 0.475 244 A N 5.393 128.187 122.820 -0.044 0.000 2.478 244 A HA 0.522 4.842 4.320 0.000 0.000 0.327 244 A C 1.164 178.738 177.584 -0.016 0.000 1.431 244 A CA -0.574 51.439 52.037 -0.039 0.000 1.014 244 A CB 0.090 19.050 19.000 -0.068 0.000 1.143 244 A HN 0.844 nan 8.150 nan 0.000 0.532 245 R N 1.873 122.368 120.500 -0.009 0.000 2.127 245 R HA -0.104 4.236 4.340 0.000 0.000 0.238 245 R C 2.230 178.536 176.300 0.009 0.000 1.134 245 R CA 1.929 58.029 56.100 0.001 0.000 0.975 245 R CB -0.332 29.970 30.300 0.003 0.000 0.865 245 R HN 0.698 nan 8.270 nan 0.000 0.447 246 G N 0.896 109.703 108.800 0.011 0.000 2.433 246 G HA2 -0.250 3.711 3.960 0.000 0.000 0.216 246 G HA3 -0.250 3.711 3.960 0.000 0.000 0.216 246 G C 0.909 175.829 174.900 0.033 0.000 1.186 246 G CA 0.970 46.083 45.100 0.022 0.000 0.779 246 G HN 0.227 nan 8.290 nan 0.000 0.543 247 D N 0.615 121.038 120.400 0.037 0.000 2.117 247 D HA -0.082 4.558 4.640 0.000 0.000 0.197 247 D C 2.666 179.001 176.300 0.059 0.000 0.987 247 D CA 0.540 54.582 54.000 0.069 0.000 0.829 247 D CB -0.176 40.670 40.800 0.078 0.000 0.961 247 D HN 0.283 nan 8.370 nan 0.000 0.460 248 L N 0.823 122.067 121.223 0.035 0.000 2.012 248 L HA -0.118 4.223 4.340 0.000 0.000 0.210 248 L C 2.624 179.509 176.870 0.025 0.000 1.073 248 L CA 1.455 56.312 54.840 0.028 0.000 0.748 248 L CB -0.854 41.214 42.059 0.015 0.000 0.891 248 L HN 0.084 nan 8.230 nan 0.000 0.431 249 G N -0.847 107.966 108.800 0.022 0.000 2.564 249 G HA2 -0.137 3.823 3.960 0.000 0.000 0.216 249 G HA3 -0.137 3.823 3.960 0.000 0.000 0.216 249 G C 1.477 176.389 174.900 0.020 0.000 1.124 249 G CA 0.703 45.814 45.100 0.019 0.000 0.764 249 G HN 0.232 nan 8.290 nan 0.000 0.550 250 V N -0.065 119.865 119.914 0.027 0.000 2.446 250 V HA -0.033 4.087 4.120 0.000 0.000 0.244 250 V C 2.448 178.551 176.094 0.016 0.000 1.039 250 V CA 1.755 64.070 62.300 0.025 0.000 1.045 250 V CB -0.075 31.770 31.823 0.036 0.000 0.681 250 V HN 0.417 nan 8.190 nan 0.000 0.459 251 E N -0.607 119.604 120.200 0.019 0.000 2.340 251 E HA 0.257 4.607 4.350 0.000 0.000 0.198 251 E C 0.279 176.885 176.600 0.010 0.000 0.961 251 E CA 0.162 56.569 56.400 0.011 0.000 0.905 251 E CB 0.641 30.348 29.700 0.012 0.000 0.884 251 E HN 0.474 nan 8.360 nan 0.000 0.491 252 I N 2.262 122.839 120.570 0.012 0.000 2.441 252 I HA 0.259 4.429 4.170 0.000 0.000 0.295 252 I C -2.450 173.672 176.117 0.008 0.000 0.994 252 I CA -2.711 58.594 61.300 0.009 0.000 1.144 252 I CB 1.511 39.517 38.000 0.009 0.000 1.314 252 I HN -0.311 nan 8.210 nan 0.000 0.445 253 P HA -0.017 nan 4.420 nan 0.000 0.264 253 P C 0.411 177.714 177.300 0.006 0.000 1.183 253 P CA 0.158 63.262 63.100 0.006 0.000 0.763 253 P CB 0.865 32.568 31.700 0.004 0.000 0.807 254 A N 4.458 127.282 122.820 0.007 0.000 1.892 254 A HA -0.257 4.063 4.320 0.000 0.000 0.218 254 A C 1.876 179.463 177.584 0.005 0.000 1.188 254 A CA 2.065 54.106 52.037 0.007 0.000 0.631 254 A CB -1.210 17.795 19.000 0.007 0.000 0.822 254 A HN 0.732 nan 8.150 nan 0.000 0.447 255 E N -0.093 120.109 120.200 0.004 0.000 2.401 255 E HA -0.200 4.150 4.350 0.000 0.000 0.199 255 E C 1.271 177.871 176.600 0.002 0.000 1.023 255 E CA 1.360 57.762 56.400 0.002 0.000 0.859 255 E CB -0.238 29.463 29.700 0.002 0.000 0.780 255 E HN 0.800 nan 8.360 nan 0.000 0.523 256 E N 0.446 120.648 120.200 0.002 0.000 2.389 256 E HA 0.003 4.353 4.350 0.000 0.000 0.199 256 E C 2.104 178.705 176.600 0.001 0.000 0.978 256 E CA 0.386 56.786 56.400 0.001 0.000 0.912 256 E CB 0.461 30.162 29.700 0.001 0.000 0.907 256 E HN 0.093 nan 8.360 nan 0.000 0.494 257 V N 2.132 122.047 119.914 0.003 0.000 2.287 257 V HA -0.214 3.906 4.120 0.000 0.000 0.248 257 V C -0.732 175.363 176.094 0.002 0.000 1.053 257 V CA 2.123 64.425 62.300 0.003 0.000 1.027 257 V CB -1.472 30.354 31.823 0.005 0.000 0.646 257 V HN 0.147 nan 8.190 nan 0.000 0.447 258 P HA -0.189 nan 4.420 nan 0.000 0.217 258 P C 1.819 179.119 177.300 -0.000 0.000 1.158 258 P CA 1.475 64.577 63.100 0.003 0.000 0.887 258 P CB -0.089 31.613 31.700 0.003 0.000 0.792 259 L N -1.769 119.452 121.223 -0.003 0.000 2.217 259 L HA -0.059 4.281 4.340 0.000 0.000 0.211 259 L C 2.254 179.120 176.870 -0.007 0.000 1.107 259 L CA 1.324 56.161 54.840 -0.006 0.000 0.783 259 L CB -1.059 40.996 42.059 -0.007 0.000 0.919 259 L HN -0.044 nan 8.230 nan 0.000 0.442 260 I N -1.214 119.353 120.570 -0.005 0.000 2.202 260 I HA -0.328 3.842 4.170 0.000 0.000 0.242 260 I C 2.561 178.673 176.117 -0.008 0.000 1.091 260 I CA 1.171 62.467 61.300 -0.006 0.000 1.368 260 I CB -0.187 37.811 38.000 -0.003 0.000 1.058 260 I HN 0.394 nan 8.210 nan 0.000 0.410 261 Q N 1.462 121.259 119.800 -0.006 0.000 2.061 261 Q HA -0.271 4.069 4.340 0.000 0.000 0.204 261 Q C 2.160 178.154 176.000 -0.010 0.000 0.984 261 Q CA 1.840 57.639 55.803 -0.007 0.000 0.846 261 Q CB 0.030 28.767 28.738 -0.002 0.000 0.902 261 Q HN 0.400 nan 8.270 nan 0.000 0.421 262 K N 0.032 120.427 120.400 -0.007 0.000 2.097 262 K HA -0.172 4.148 4.320 0.000 0.000 0.206 262 K C 2.112 178.701 176.600 -0.018 0.000 1.049 262 K CA 1.230 57.511 56.287 -0.010 0.000 0.933 262 K CB -0.176 32.320 32.500 -0.007 0.000 0.717 262 K HN 0.187 nan 8.250 nan 0.000 0.442 263 L N 1.146 122.358 121.223 -0.017 0.000 2.072 263 L HA -0.090 4.250 4.340 0.000 0.000 0.205 263 L C 1.777 178.633 176.870 -0.024 0.000 1.079 263 L CA 1.423 56.251 54.840 -0.021 0.000 0.752 263 L CB -0.172 41.877 42.059 -0.017 0.000 0.906 263 L HN 0.117 nan 8.230 nan 0.000 0.436 264 L N -1.071 120.139 121.223 -0.022 0.000 2.093 264 L HA -0.204 4.136 4.340 0.000 0.000 0.208 264 L C 2.477 179.328 176.870 -0.033 0.000 1.085 264 L CA 1.272 56.097 54.840 -0.025 0.000 0.755 264 L CB -0.489 41.556 42.059 -0.023 0.000 0.904 264 L HN 0.279 nan 8.230 nan 0.000 0.435 265 I N 0.100 120.650 120.570 -0.033 0.000 2.202 265 I HA -0.290 3.880 4.170 0.000 0.000 0.242 265 I C 2.700 178.784 176.117 -0.055 0.000 1.091 265 I CA 1.249 62.524 61.300 -0.042 0.000 1.368 265 I CB -0.254 37.725 38.000 -0.035 0.000 1.058 265 I HN 0.224 nan 8.210 nan 0.000 0.410 266 K N 1.707 122.076 120.400 -0.051 0.000 2.063 266 K HA -0.221 4.099 4.320 0.000 0.000 0.208 266 K C 2.088 178.650 176.600 -0.063 0.000 1.048 266 K CA 1.644 57.894 56.287 -0.061 0.000 0.928 266 K CB -0.010 32.460 32.500 -0.050 0.000 0.713 266 K HN 0.130 nan 8.250 nan 0.000 0.442 267 K N 0.081 120.451 120.400 -0.050 0.000 2.097 267 K HA -0.074 4.246 4.320 0.000 0.000 0.206 267 K C 2.172 178.740 176.600 -0.054 0.000 1.049 267 K CA 1.745 58.004 56.287 -0.047 0.000 0.933 267 K CB 0.001 32.480 32.500 -0.035 0.000 0.717 267 K HN 0.118 nan 8.250 nan 0.000 0.442 268 S N 0.949 116.616 115.700 -0.055 0.000 2.371 268 S HA -0.091 4.379 4.470 0.000 0.000 0.224 268 S C 1.554 176.106 174.600 -0.080 0.000 1.029 268 S CA 1.151 59.316 58.200 -0.058 0.000 0.978 268 S CB -0.380 62.788 63.200 -0.053 0.000 0.833 268 S HN 0.358 nan 8.310 nan 0.000 0.466 269 N N 1.254 119.895 118.700 -0.098 0.000 2.061 269 N HA -0.096 4.644 4.740 0.000 0.000 0.193 269 N C 1.769 177.188 175.510 -0.151 0.000 1.030 269 N CA 1.479 54.445 53.050 -0.139 0.000 0.856 269 N CB -0.261 38.136 38.487 -0.151 0.000 1.023 269 N HN 0.356 nan 8.380 nan 0.000 0.424 270 M N 0.352 119.880 119.600 -0.120 0.000 2.296 270 M HA -0.094 4.386 4.480 0.000 0.000 0.265 270 M C 1.517 177.755 176.300 -0.104 0.000 1.064 270 M CA 1.119 56.349 55.300 -0.116 0.000 1.109 270 M CB -0.097 32.454 32.600 -0.081 0.000 1.396 270 M HN 0.180 nan 8.290 nan 0.000 0.430 271 L N -0.597 120.576 121.223 -0.084 0.000 2.558 271 L HA 0.175 4.515 4.340 0.000 0.000 0.225 271 L C 1.270 178.098 176.870 -0.070 0.000 1.128 271 L CA 0.176 54.977 54.840 -0.064 0.000 0.868 271 L CB -0.453 41.580 42.059 -0.044 0.000 1.006 271 L HN 0.583 nan 8.230 nan 0.000 0.454 272 G N 1.097 109.837 108.800 -0.100 0.000 2.176 272 G HA2 -0.284 3.676 3.960 0.000 0.000 0.252 272 G HA3 -0.284 3.676 3.960 0.000 0.000 0.252 272 G C 0.087 174.955 174.900 -0.053 0.000 1.024 272 G CA 0.111 45.153 45.100 -0.098 0.000 0.755 272 G HN 0.381 nan 8.290 nan 0.000 0.507 273 K N 0.567 120.939 120.400 -0.047 0.000 2.244 273 K HA 0.471 4.791 4.320 0.000 0.000 0.260 273 K C -2.559 174.024 176.600 -0.027 0.000 0.951 273 K CA -2.207 54.067 56.287 -0.022 0.000 0.826 273 K CB 1.992 34.483 32.500 -0.016 0.000 1.108 273 K HN -0.042 nan 8.250 nan 0.000 0.433 274 P HA -0.091 nan 4.420 nan 0.000 0.264 274 P C -0.975 176.298 177.300 -0.046 0.000 1.183 274 P CA -0.206 62.878 63.100 -0.026 0.000 0.763 274 P CB 0.569 32.250 31.700 -0.031 0.000 0.807 275 V N 5.317 125.203 119.914 -0.047 0.000 2.638 275 V HA 0.507 4.627 4.120 0.000 0.000 0.306 275 V C -0.840 175.223 176.094 -0.052 0.000 1.052 275 V CA -0.879 61.390 62.300 -0.052 0.000 0.885 275 V CB 1.286 33.081 31.823 -0.047 0.000 0.999 275 V HN 0.300 nan 8.190 nan 0.000 0.424 276 I N 5.381 125.912 120.570 -0.065 0.000 2.354 276 I HA 0.406 4.576 4.170 0.000 0.000 0.292 276 I C 0.083 176.172 176.117 -0.046 0.000 0.989 276 I CA -0.345 60.917 61.300 -0.063 0.000 1.188 276 I CB 2.118 40.063 38.000 -0.091 0.000 1.342 276 I HN 0.510 nan 8.210 nan 0.000 0.457 277 T N 5.874 120.409 114.554 -0.032 0.000 2.733 277 T HA 0.632 4.982 4.350 0.000 0.000 0.294 277 T C -0.019 174.667 174.700 -0.023 0.000 0.956 277 T CA -0.432 61.654 62.100 -0.023 0.000 0.987 277 T CB 1.084 69.946 68.868 -0.011 0.000 0.920 277 T HN 0.698 nan 8.240 nan 0.000 0.470 278 A N 3.232 126.037 122.820 -0.025 0.000 2.430 278 A HA 0.982 5.302 4.320 0.000 0.000 0.300 278 A C 0.339 177.915 177.584 -0.012 0.000 1.124 278 A CA -0.428 51.596 52.037 -0.022 0.000 0.766 278 A CB 0.936 19.915 19.000 -0.035 0.000 1.328 278 A HN 1.614 nan 8.150 nan 0.000 0.424 279 T N -1.367 113.184 114.554 -0.005 0.000 0.541 279 T HA -0.176 4.174 4.350 0.000 0.000 0.774 279 T C -0.006 174.699 174.700 0.008 0.000 0.992 279 T CA 1.160 63.263 62.100 0.005 0.000 4.077 279 T CB -1.657 67.214 68.868 0.005 0.000 2.303 279 T HN 2.199 nan 8.240 nan 0.000 0.398 280 Q N 0.947 120.755 119.800 0.014 0.000 2.439 280 Q HA -0.239 4.101 4.340 0.000 0.000 0.325 280 Q C 0.966 176.974 176.000 0.013 0.000 1.372 280 Q CA 1.195 57.007 55.803 0.014 0.000 0.909 280 Q CB -0.837 27.909 28.738 0.014 0.000 1.167 280 Q HN 0.662 nan 8.270 nan 0.000 0.418 281 M N -0.906 118.701 119.600 0.013 0.000 2.530 281 M HA 0.132 4.612 4.480 0.000 0.000 0.245 281 M C 1.190 177.498 176.300 0.013 0.000 1.198 281 M CA 1.318 56.625 55.300 0.011 0.000 1.225 281 M CB 0.001 32.607 32.600 0.010 0.000 1.232 281 M HN 0.360 nan 8.290 nan 0.000 0.494 282 L N 0.201 121.433 121.223 0.016 0.000 3.291 282 L HA 0.180 4.520 4.340 0.000 0.000 0.307 282 L C 0.422 177.306 176.870 0.023 0.000 1.303 282 L CA -0.428 54.422 54.840 0.017 0.000 0.949 282 L CB 0.400 42.470 42.059 0.017 0.000 1.375 282 L HN 0.110 nan 8.230 nan 0.000 0.596 283 D N 0.883 121.296 120.400 0.022 0.000 2.170 283 D HA -0.229 4.411 4.640 0.000 0.000 0.193 283 D C 2.224 178.542 176.300 0.030 0.000 1.004 283 D CA 2.164 56.180 54.000 0.027 0.000 0.860 283 D CB 0.121 40.934 40.800 0.023 0.000 0.931 283 D HN 0.460 nan 8.370 nan 0.000 0.448 284 S N -0.370 115.344 115.700 0.023 0.000 2.469 284 S HA -0.109 4.361 4.470 0.000 0.000 0.238 284 S C 1.835 176.454 174.600 0.032 0.000 0.998 284 S CA 0.507 58.721 58.200 0.023 0.000 0.957 284 S CB -0.357 62.850 63.200 0.011 0.000 0.764 284 S HN 0.242 nan 8.310 nan 0.000 0.514 285 M N 0.837 120.458 119.600 0.034 0.000 2.686 285 M HA 0.040 4.520 4.480 0.000 0.000 0.246 285 M C 1.974 178.354 176.300 0.134 0.000 1.096 285 M CA 0.576 55.906 55.300 0.050 0.000 1.076 285 M CB -0.353 32.267 32.600 0.034 0.000 1.504 285 M HN 0.496 nan 8.290 nan 0.000 0.524 286 Q N -0.241 119.624 119.800 0.108 0.000 2.230 286 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 286 Q C 1.835 177.926 176.000 0.153 0.000 0.963 286 Q CA 0.842 56.712 55.803 0.111 0.000 0.866 286 Q CB 0.279 29.054 28.738 0.062 0.000 0.931 286 Q HN 0.407 nan 8.270 nan 0.000 0.452 287 R N -0.419 120.173 120.500 0.154 0.000 2.279 287 R HA 0.211 4.551 4.340 0.000 0.000 0.195 287 R C -0.045 176.403 176.300 0.247 0.000 0.905 287 R CA 0.212 56.416 56.100 0.173 0.000 1.044 287 R CB 0.619 30.973 30.300 0.091 0.000 1.056 287 R HN 0.204 nan 8.270 nan 0.000 0.535 288 N N 0.555 119.328 118.700 0.122 0.000 2.272 288 N HA 0.240 4.981 4.740 0.000 0.000 0.305 288 N C -2.302 172.893 175.510 -0.525 0.000 1.103 288 N CA -1.613 51.367 53.050 -0.116 0.000 0.791 288 N CB 2.229 40.669 38.487 -0.079 0.000 1.356 288 N HN -0.290 nan 8.380 nan 0.000 0.486 289 P HA 0.029 nan 4.420 nan 0.000 0.221 289 P C -0.204 176.863 177.300 -0.388 0.000 1.150 289 P CA 1.284 63.799 63.100 -0.974 0.000 0.800 289 P CB 0.515 31.797 31.700 -0.697 0.000 0.787 290 R N -0.901 119.448 120.500 -0.252 0.000 2.854 290 R HA 0.477 4.817 4.340 0.000 0.000 0.271 290 R C -2.549 173.699 176.300 -0.087 0.000 0.994 290 R CA -2.151 53.871 56.100 -0.130 0.000 0.945 290 R CB 1.438 31.681 30.300 -0.095 0.000 1.194 290 R HN -0.040 nan 8.270 nan 0.000 0.476 291 P HA 0.224 nan 4.420 nan 0.000 0.301 291 P C -0.677 176.611 177.300 -0.020 0.000 1.309 291 P CA -0.394 62.690 63.100 -0.027 0.000 0.782 291 P CB 0.795 32.486 31.700 -0.014 0.000 1.282 292 T N 0.571 115.119 114.554 -0.009 0.000 2.918 292 T HA 0.159 4.509 4.350 0.000 0.000 0.283 292 T C 1.408 176.108 174.700 0.000 0.000 1.001 292 T CA -0.489 61.608 62.100 -0.005 0.000 1.041 292 T CB 0.729 69.597 68.868 0.000 0.000 1.028 292 T HN 0.349 nan 8.240 nan 0.000 0.511 293 R N 1.280 121.782 120.500 0.002 0.000 2.103 293 R HA -0.139 4.201 4.340 0.000 0.000 0.242 293 R C 2.233 178.540 176.300 0.011 0.000 1.142 293 R CA 2.052 58.156 56.100 0.007 0.000 0.960 293 R CB -1.083 29.221 30.300 0.007 0.000 0.858 293 R HN 0.749 nan 8.270 nan 0.000 0.439 294 A N 1.110 123.936 122.820 0.010 0.000 1.858 294 A HA -0.184 4.136 4.320 0.000 0.000 0.216 294 A C 2.084 179.677 177.584 0.014 0.000 1.190 294 A CA 1.735 53.780 52.037 0.013 0.000 0.617 294 A CB -0.515 18.492 19.000 0.011 0.000 0.827 294 A HN 0.534 nan 8.150 nan 0.000 0.443 295 E N -0.288 119.918 120.200 0.011 0.000 2.077 295 E HA -0.125 4.225 4.350 0.000 0.000 0.193 295 E C 2.270 178.877 176.600 0.011 0.000 0.989 295 E CA 0.986 57.393 56.400 0.011 0.000 0.800 295 E CB -0.307 29.398 29.700 0.007 0.000 0.746 295 E HN 0.624 nan 8.360 nan 0.000 0.452 296 A N 0.887 123.713 122.820 0.010 0.000 1.930 296 A HA -0.181 4.139 4.320 0.000 0.000 0.217 296 A C 2.248 179.844 177.584 0.020 0.000 1.175 296 A CA 1.667 53.709 52.037 0.010 0.000 0.627 296 A CB -0.489 18.516 19.000 0.008 0.000 0.815 296 A HN 0.219 nan 8.150 nan 0.000 0.443 297 S N -0.462 115.255 115.700 0.028 0.000 2.368 297 S HA -0.189 4.281 4.470 0.000 0.000 0.224 297 S C 1.826 176.454 174.600 0.048 0.000 1.029 297 S CA 1.776 60.002 58.200 0.044 0.000 0.988 297 S CB -0.413 62.810 63.200 0.038 0.000 0.838 297 S HN 0.591 nan 8.310 nan 0.000 0.462 298 D N 0.131 120.551 120.400 0.033 0.000 2.117 298 D HA -0.056 4.584 4.640 0.000 0.000 0.198 298 D C 1.886 178.203 176.300 0.028 0.000 0.982 298 D CA 1.195 55.214 54.000 0.031 0.000 0.828 298 D CB -0.140 40.673 40.800 0.021 0.000 0.967 298 D HN 0.298 nan 8.370 nan 0.000 0.464 299 V N 0.698 120.622 119.914 0.018 0.000 2.307 299 V HA -0.180 3.940 4.120 0.000 0.000 0.245 299 V C 2.570 178.660 176.094 -0.006 0.000 1.045 299 V CA 1.681 63.983 62.300 0.004 0.000 1.024 299 V CB -0.969 30.852 31.823 -0.004 0.000 0.651 299 V HN 0.293 nan 8.190 nan 0.000 0.449 300 A N 0.462 123.280 122.820 -0.003 0.000 1.917 300 A HA -0.283 4.037 4.320 0.000 0.000 0.219 300 A C 2.078 179.672 177.584 0.018 0.000 1.182 300 A CA 2.290 54.305 52.037 -0.037 0.000 0.633 300 A CB -0.727 18.290 19.000 0.029 0.000 0.819 300 A HN 0.605 nan 8.150 nan 0.000 0.448 301 N N -0.004 118.771 118.700 0.125 0.000 2.270 301 N HA -0.053 4.687 4.740 0.000 0.000 0.181 301 N C 1.875 177.459 175.510 0.123 0.000 1.016 301 N CA 1.268 54.439 53.050 0.200 0.000 0.870 301 N CB -0.411 38.161 38.487 0.142 0.000 0.979 301 N HN 0.489 nan 8.380 nan 0.000 0.431 302 A N 1.221 124.074 122.820 0.055 0.000 1.972 302 A HA -0.047 4.273 4.320 0.000 0.000 0.219 302 A C 2.262 179.859 177.584 0.022 0.000 1.169 302 A CA 0.753 52.809 52.037 0.032 0.000 0.635 302 A CB -0.445 18.563 19.000 0.013 0.000 0.810 302 A HN 0.182 nan 8.150 nan 0.000 0.446 303 I N -1.993 118.569 120.570 -0.014 0.000 2.286 303 I HA -0.186 3.984 4.170 0.000 0.000 0.245 303 I C 2.111 178.200 176.117 -0.046 0.000 1.104 303 I CA 1.130 62.398 61.300 -0.054 0.000 1.397 303 I CB -0.402 37.507 38.000 -0.152 0.000 1.072 303 I HN 0.256 nan 8.210 nan 0.000 0.417 304 F N 1.424 121.379 119.950 0.008 0.000 2.216 304 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 304 F C 2.205 177.983 175.800 -0.037 0.000 1.085 304 F CA 1.279 59.270 58.000 -0.015 0.000 1.326 304 F CB -0.665 38.326 39.000 -0.015 0.000 1.027 304 F HN 0.135 nan 8.300 nan 0.000 0.497 305 D N -0.708 119.779 120.400 0.145 0.000 2.218 305 D HA -0.012 4.628 4.640 0.000 0.000 0.204 305 D C 2.164 178.462 176.300 -0.003 0.000 0.976 305 D CA 1.584 55.616 54.000 0.054 0.000 0.853 305 D CB -0.272 40.549 40.800 0.034 0.000 0.939 305 D HN 0.402 nan 8.370 nan 0.000 0.481 306 G N 0.116 108.905 108.800 -0.019 0.000 2.159 306 G HA2 -0.215 3.745 3.960 0.000 0.000 0.170 306 G HA3 -0.215 3.745 3.960 0.000 0.000 0.170 306 G C 0.478 175.329 174.900 -0.082 0.000 1.007 306 G CA 0.216 45.258 45.100 -0.097 0.000 0.672 306 G HN 0.369 nan 8.290 nan 0.000 0.507 307 T N 0.177 114.720 114.554 -0.018 0.000 2.928 307 T HA 0.338 4.688 4.350 0.000 0.000 0.305 307 T C 1.499 176.241 174.700 0.071 0.000 1.035 307 T CA 1.135 63.237 62.100 0.004 0.000 1.145 307 T CB 0.369 69.243 68.868 0.009 0.000 0.963 307 T HN 0.191 nan 8.240 nan 0.000 0.545 308 D N 2.783 123.221 120.400 0.063 0.000 2.149 308 D HA 0.265 4.905 4.640 0.000 0.000 0.201 308 D C 0.552 176.925 176.300 0.122 0.000 0.972 308 D CA 1.192 55.289 54.000 0.162 0.000 0.835 308 D CB 0.166 41.017 40.800 0.086 0.000 0.966 308 D HN 0.690 nan 8.370 nan 0.000 0.476 309 A N -0.420 122.422 122.820 0.037 0.000 2.556 309 A HA 0.639 4.959 4.320 0.000 0.000 0.294 309 A C -1.133 176.445 177.584 -0.010 0.000 1.091 309 A CA -0.790 51.247 52.037 0.001 0.000 0.704 309 A CB 1.369 20.342 19.000 -0.044 0.000 1.300 309 A HN 0.034 nan 8.150 nan 0.000 0.406 310 V N -1.142 118.765 119.914 -0.012 0.000 2.715 310 V HA 0.863 4.983 4.120 0.000 0.000 0.310 310 V C -0.228 175.857 176.094 -0.016 0.000 1.054 310 V CA -0.734 61.559 62.300 -0.012 0.000 0.928 310 V CB 1.591 33.411 31.823 -0.006 0.000 1.007 310 V HN 1.086 nan 8.190 nan 0.000 0.437 311 M N 4.079 123.670 119.600 -0.015 0.000 2.393 311 M HA 0.667 5.147 4.480 0.000 0.000 0.316 311 M C -1.874 174.427 176.300 0.001 0.000 1.087 311 M CA -0.693 54.599 55.300 -0.013 0.000 0.937 311 M CB 1.933 34.519 32.600 -0.024 0.000 1.668 311 M HN 0.759 nan 8.290 nan 0.000 0.438 312 L N 2.956 124.184 121.223 0.009 0.000 2.317 312 L HA 0.522 4.862 4.340 0.000 0.000 0.281 312 L C 0.030 176.915 176.870 0.025 0.000 1.024 312 L CA -0.311 54.540 54.840 0.020 0.000 0.810 312 L CB 1.999 44.074 42.059 0.026 0.000 1.240 312 L HN 0.837 nan 8.230 nan 0.000 0.427 313 S N 0.984 116.701 115.700 0.029 0.000 3.446 313 S HA 0.173 4.643 4.470 0.000 0.000 0.177 313 S C 1.554 176.177 174.600 0.040 0.000 0.834 313 S CA 0.317 58.538 58.200 0.036 0.000 1.201 313 S CB -0.232 62.989 63.200 0.035 0.000 0.765 313 S HN 0.859 nan 8.310 nan 0.000 0.761 314 G N 1.156 109.979 108.800 0.038 0.000 2.479 314 G HA2 -0.181 3.779 3.960 0.000 0.000 0.220 314 G HA3 -0.181 3.779 3.960 0.000 0.000 0.220 314 G C 0.928 175.850 174.900 0.035 0.000 1.115 314 G CA 1.024 46.144 45.100 0.034 0.000 0.757 314 G HN 0.528 nan 8.290 nan 0.000 0.560 315 E N 0.048 120.272 120.200 0.040 0.000 2.204 315 E HA -0.062 4.288 4.350 0.000 0.000 0.195 315 E C 2.573 179.204 176.600 0.050 0.000 0.990 315 E CA 1.657 58.087 56.400 0.051 0.000 0.821 315 E CB -0.112 29.618 29.700 0.050 0.000 0.750 315 E HN 0.608 nan 8.360 nan 0.000 0.477 316 T N -3.659 110.920 114.554 0.041 0.000 2.959 316 T HA 0.453 4.803 4.350 0.000 0.000 0.254 316 T C 1.797 176.517 174.700 0.033 0.000 1.003 316 T CA 0.135 62.258 62.100 0.038 0.000 0.950 316 T CB 0.359 69.250 68.868 0.039 0.000 1.090 316 T HN 0.124 nan 8.240 nan 0.000 0.503 317 A N 1.685 124.526 122.820 0.035 0.000 1.874 317 A HA 0.731 5.051 4.320 0.000 0.000 0.214 317 A C 2.348 179.942 177.584 0.017 0.000 1.189 317 A CA 1.251 53.308 52.037 0.034 0.000 0.615 317 A CB -0.743 18.284 19.000 0.043 0.000 0.830 317 A HN 0.769 nan 8.150 nan 0.000 0.443 318 A N -1.603 121.223 122.820 0.011 0.000 2.377 318 A HA 0.530 4.850 4.320 0.000 0.000 0.209 318 A C 1.414 178.993 177.584 -0.008 0.000 1.359 318 A CA 0.838 52.873 52.037 -0.004 0.000 1.026 318 A CB -0.779 18.214 19.000 -0.011 0.000 1.224 318 A HN 0.908 nan 8.150 nan 0.000 0.528 319 G N -0.416 108.389 108.800 0.008 0.000 2.785 319 G HA2 0.199 4.159 3.960 0.000 0.000 0.256 319 G HA3 0.199 4.159 3.960 0.000 0.000 0.256 319 G C 0.388 175.271 174.900 -0.030 0.000 1.248 319 G CA 0.165 45.274 45.100 0.015 0.000 0.914 319 G HN 0.422 nan 8.290 nan 0.000 0.580 320 Q N -1.340 118.427 119.800 -0.055 0.000 2.408 320 Q HA 0.125 4.465 4.340 0.000 0.000 0.205 320 Q C -0.350 175.331 176.000 -0.532 0.000 0.919 320 Q CA 0.595 56.225 55.803 -0.289 0.000 0.932 320 Q CB 0.545 29.054 28.738 -0.382 0.000 1.058 320 Q HN 0.625 nan 8.270 nan 0.000 0.517 321 Y N -1.487 118.816 120.300 0.004 0.000 2.517 321 Y HA 0.247 4.797 4.550 -0.000 0.000 0.330 321 Y C -2.052 173.851 175.900 0.006 0.000 0.917 321 Y CA -2.031 56.072 58.100 0.004 0.000 1.131 321 Y CB 0.824 39.286 38.460 0.005 0.000 1.175 321 Y HN 0.059 nan 8.280 nan 0.000 0.620 322 P HA -0.244 nan 4.420 nan 0.000 0.213 322 P C 1.795 179.135 177.300 0.066 0.000 1.176 322 P CA 1.765 64.902 63.100 0.063 0.000 0.919 322 P CB 0.347 32.064 31.700 0.029 0.000 0.791 323 V N -0.046 119.902 119.914 0.058 0.000 2.568 323 V HA -0.210 3.910 4.120 0.000 0.000 0.253 323 V C 2.336 178.464 176.094 0.057 0.000 1.072 323 V CA 1.731 64.058 62.300 0.046 0.000 1.084 323 V CB -1.096 30.747 31.823 0.033 0.000 0.676 323 V HN 0.151 nan 8.190 nan 0.000 0.469 324 E N 0.301 120.559 120.200 0.097 0.000 2.076 324 E HA -0.063 4.287 4.350 0.000 0.000 0.190 324 E C 2.439 179.073 176.600 0.057 0.000 0.979 324 E CA 1.304 57.752 56.400 0.080 0.000 0.807 324 E CB -0.440 29.326 29.700 0.110 0.000 0.761 324 E HN 0.548 nan 8.360 nan 0.000 0.454 325 A N 1.220 124.084 122.820 0.073 0.000 1.883 325 A HA -0.175 4.145 4.320 0.000 0.000 0.217 325 A C 2.610 180.222 177.584 0.046 0.000 1.186 325 A CA 1.743 53.812 52.037 0.054 0.000 0.624 325 A CB -0.831 18.206 19.000 0.061 0.000 0.822 325 A HN 0.135 nan 8.150 nan 0.000 0.444 326 V N 0.017 119.958 119.914 0.046 0.000 2.343 326 V HA -0.283 3.837 4.120 0.000 0.000 0.247 326 V C 2.488 178.617 176.094 0.059 0.000 1.051 326 V CA 2.382 64.709 62.300 0.046 0.000 1.036 326 V CB -0.670 31.172 31.823 0.032 0.000 0.654 326 V HN 0.539 nan 8.190 nan 0.000 0.451 327 K N -0.045 120.380 120.400 0.042 0.000 2.057 327 K HA -0.196 4.124 4.320 0.000 0.000 0.207 327 K C 2.378 179.030 176.600 0.086 0.000 1.049 327 K CA 1.976 58.289 56.287 0.043 0.000 0.931 327 K CB -0.464 32.045 32.500 0.014 0.000 0.714 327 K HN 0.652 nan 8.250 nan 0.000 0.440 328 T N -0.285 114.301 114.554 0.054 0.000 2.857 328 T HA -0.150 4.200 4.350 0.000 0.000 0.266 328 T C 1.903 176.629 174.700 0.044 0.000 1.048 328 T CA 0.961 63.086 62.100 0.041 0.000 1.139 328 T CB -0.050 68.825 68.868 0.013 0.000 0.874 328 T HN -0.017 nan 8.240 nan 0.000 0.455 329 M N 1.148 120.778 119.600 0.050 0.000 2.108 329 M HA -0.072 4.408 4.480 0.000 0.000 0.261 329 M C 2.093 178.421 176.300 0.046 0.000 1.066 329 M CA 1.722 57.044 55.300 0.037 0.000 1.107 329 M CB -0.982 31.642 32.600 0.040 0.000 1.356 329 M HN 0.553 nan 8.290 nan 0.000 0.406 330 H N -1.116 117.945 119.070 -0.014 0.000 2.326 330 H HA -0.151 4.405 4.556 -0.000 0.000 0.301 330 H C 1.931 177.244 175.328 -0.024 0.000 1.081 330 H CA 2.146 58.182 56.048 -0.019 0.000 1.334 330 H CB -0.059 29.694 29.762 -0.015 0.000 1.385 330 H HN 0.377 nan 8.280 nan 0.000 0.504 331 Q N 0.683 120.522 119.800 0.064 0.000 2.124 331 Q HA -0.033 4.307 4.340 0.000 0.000 0.202 331 Q C 2.637 178.596 176.000 -0.069 0.000 0.977 331 Q CA 1.302 57.102 55.803 -0.005 0.000 0.850 331 Q CB -0.198 28.577 28.738 0.061 0.000 0.901 331 Q HN 0.564 nan 8.270 nan 0.000 0.429 332 I N -0.418 120.123 120.570 -0.049 0.000 2.286 332 I HA -0.281 3.889 4.170 0.000 0.000 0.248 332 I C 2.037 178.093 176.117 -0.101 0.000 1.115 332 I CA 0.901 62.167 61.300 -0.058 0.000 1.392 332 I CB -0.390 37.589 38.000 -0.036 0.000 1.065 332 I HN 0.225 nan 8.210 nan 0.000 0.418 333 A N 0.996 123.737 122.820 -0.132 0.000 1.855 333 A HA -0.145 4.175 4.320 0.000 0.000 0.215 333 A C 2.297 179.775 177.584 -0.178 0.000 1.191 333 A CA 1.189 53.132 52.037 -0.157 0.000 0.613 333 A CB -0.858 18.042 19.000 -0.166 0.000 0.829 333 A HN 0.324 nan 8.150 nan 0.000 0.442 334 L N -1.019 120.064 121.223 -0.234 0.000 2.013 334 L HA -0.244 4.096 4.340 0.000 0.000 0.212 334 L C 2.891 179.695 176.870 -0.109 0.000 1.073 334 L CA 2.019 56.744 54.840 -0.191 0.000 0.753 334 L CB -0.433 41.488 42.059 -0.230 0.000 0.890 334 L HN 0.486 nan 8.230 nan 0.000 0.432 335 R N -0.666 119.777 120.500 -0.094 0.000 2.073 335 R HA -0.151 4.189 4.340 0.000 0.000 0.234 335 R C 2.225 178.489 176.300 -0.059 0.000 1.134 335 R CA 2.027 58.095 56.100 -0.053 0.000 0.952 335 R CB -0.219 30.060 30.300 -0.036 0.000 0.850 335 R HN 0.255 nan 8.270 nan 0.000 0.433 336 T N 0.700 115.180 114.554 -0.124 0.000 2.777 336 T HA -0.107 4.243 4.350 0.000 0.000 0.266 336 T C 1.401 175.952 174.700 -0.249 0.000 1.040 336 T CA 1.510 63.456 62.100 -0.256 0.000 1.141 336 T CB -0.121 68.488 68.868 -0.432 0.000 0.868 336 T HN 0.415 nan 8.240 nan 0.000 0.444 337 E N 1.083 121.196 120.200 -0.145 0.000 2.160 337 E HA -0.178 4.172 4.350 0.000 0.000 0.195 337 E C 2.385 179.023 176.600 0.063 0.000 0.991 337 E CA 0.946 57.328 56.400 -0.031 0.000 0.810 337 E CB -0.145 29.550 29.700 -0.009 0.000 0.742 337 E HN 0.575 nan 8.360 nan 0.000 0.466 338 Q N -0.197 119.629 119.800 0.044 0.000 2.226 338 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 338 Q C 1.854 177.930 176.000 0.126 0.000 0.975 338 Q CA 1.182 57.038 55.803 0.088 0.000 0.866 338 Q CB -0.020 28.751 28.738 0.055 0.000 0.915 338 Q HN 0.220 nan 8.270 nan 0.000 0.440 339 A N 0.243 123.144 122.820 0.135 0.000 2.238 339 A HA 0.118 4.438 4.320 0.000 0.000 0.208 339 A C 0.600 178.348 177.584 0.273 0.000 1.177 339 A CA -0.115 52.061 52.037 0.233 0.000 0.804 339 A CB -0.064 19.179 19.000 0.405 0.000 0.823 339 A HN 0.189 nan 8.150 nan 0.000 0.482 340 L N 0.619 121.941 121.223 0.164 0.000 2.455 340 L HA 0.134 4.474 4.340 0.000 0.000 0.272 340 L C 0.353 177.185 176.870 -0.062 0.000 1.174 340 L CA -0.242 54.612 54.840 0.023 0.000 0.869 340 L CB 0.527 42.465 42.059 -0.200 0.000 1.130 340 L HN 0.159 nan 8.230 nan 0.000 0.474 341 E N 2.260 122.427 120.200 -0.055 0.000 1.964 341 E HA 0.064 4.414 4.350 0.000 0.000 0.264 341 E C 0.950 177.521 176.600 -0.048 0.000 1.120 341 E CA 0.002 56.397 56.400 -0.009 0.000 1.061 341 E CB -0.000 29.704 29.700 0.008 0.000 1.190 341 E HN 0.347 nan 8.360 nan 0.000 0.459 342 H N 1.385 120.509 119.070 0.090 0.000 2.353 342 H HA -0.171 4.385 4.556 0.000 0.000 0.298 342 H C 1.791 177.160 175.328 0.068 0.000 1.103 342 H CA 1.606 57.705 56.048 0.086 0.000 1.293 342 H CB 0.311 30.142 29.762 0.114 0.000 1.372 342 H HN 0.235 nan 8.280 nan 0.000 0.501 343 R N 1.165 121.771 120.500 0.177 0.000 2.073 343 R HA -0.111 4.229 4.340 0.000 0.000 0.234 343 R C 1.763 178.102 176.300 0.064 0.000 1.134 343 R CA 1.692 57.861 56.100 0.115 0.000 0.952 343 R CB -0.355 30.004 30.300 0.098 0.000 0.850 343 R HN 0.218 nan 8.270 nan 0.000 0.433 344 D N 0.023 120.450 120.400 0.044 0.000 2.092 344 D HA -0.158 4.482 4.640 0.000 0.000 0.193 344 D C 1.954 178.256 176.300 0.003 0.000 0.994 344 D CA 1.792 55.800 54.000 0.014 0.000 0.828 344 D CB -0.254 40.547 40.800 0.001 0.000 0.963 344 D HN 0.294 nan 8.370 nan 0.000 0.450 345 I N 0.442 121.007 120.570 -0.008 0.000 2.163 345 I HA -0.266 3.904 4.170 0.000 0.000 0.243 345 I C 2.397 178.521 176.117 0.012 0.000 1.085 345 I CA 0.597 61.878 61.300 -0.032 0.000 1.347 345 I CB -0.273 37.676 38.000 -0.085 0.000 1.044 345 I HN 0.040 nan 8.210 nan 0.000 0.408 346 L N 0.349 121.612 121.223 0.066 0.000 2.012 346 L HA -0.250 4.091 4.340 0.000 0.000 0.210 346 L C 2.614 179.535 176.870 0.084 0.000 1.073 346 L CA 2.185 57.102 54.840 0.129 0.000 0.748 346 L CB -0.958 41.168 42.059 0.112 0.000 0.891 346 L HN 0.176 nan 8.230 nan 0.000 0.431 347 S N -1.371 114.345 115.700 0.026 0.000 2.370 347 S HA -0.276 4.194 4.470 0.000 0.000 0.226 347 S C 2.018 176.623 174.600 0.008 0.000 1.033 347 S CA 1.545 59.744 58.200 -0.003 0.000 1.011 347 S CB -0.343 62.848 63.200 -0.015 0.000 0.852 347 S HN 0.698 nan 8.310 nan 0.000 0.457 348 Q N 1.087 120.890 119.800 0.004 0.000 2.079 348 Q HA 0.057 4.397 4.340 0.000 0.000 0.200 348 Q C 2.192 178.189 176.000 -0.005 0.000 0.974 348 Q CA 1.513 57.310 55.803 -0.010 0.000 0.840 348 Q CB -0.276 28.445 28.738 -0.029 0.000 0.898 348 Q HN 0.314 nan 8.270 nan 0.000 0.430 349 R N -0.548 119.955 120.500 0.006 0.000 2.115 349 R HA -0.016 4.324 4.340 0.000 0.000 0.230 349 R C 2.183 178.551 176.300 0.114 0.000 1.111 349 R CA 1.536 57.629 56.100 -0.013 0.000 0.976 349 R CB -0.905 29.320 30.300 -0.125 0.000 0.870 349 R HN 0.340 nan 8.270 nan 0.000 0.445 350 T N 1.242 115.901 114.554 0.175 0.000 2.708 350 T HA -0.107 4.243 4.350 0.000 0.000 0.266 350 T C 1.226 175.969 174.700 0.071 0.000 1.037 350 T CA 0.985 63.177 62.100 0.152 0.000 1.146 350 T CB 0.093 68.991 68.868 0.049 0.000 0.865 350 T HN 0.194 nan 8.240 nan 0.000 0.435 351 K N 1.181 121.602 120.400 0.034 0.000 2.132 351 K HA -0.002 4.319 4.320 0.000 0.000 0.240 351 K C 0.921 177.527 176.600 0.010 0.000 1.036 351 K CA 0.435 56.730 56.287 0.012 0.000 0.888 351 K CB 0.265 32.765 32.500 -0.001 0.000 1.071 351 K HN 0.482 nan 8.250 nan 0.000 0.502 352 E N -0.952 119.247 120.200 -0.001 0.000 3.313 352 E HA -0.280 4.070 4.350 0.000 0.000 0.283 352 E C -0.962 175.633 176.600 -0.008 0.000 0.941 352 E CA 1.210 57.604 56.400 -0.010 0.000 0.907 352 E CB -1.508 28.177 29.700 -0.024 0.000 1.458 352 E HN 0.290 nan 8.360 nan 0.000 0.463 353 S N 0.067 115.775 115.700 0.014 0.000 2.525 353 S HA 0.283 4.753 4.470 0.000 0.000 0.290 353 S C -0.072 174.546 174.600 0.029 0.000 1.152 353 S CA -0.784 57.433 58.200 0.028 0.000 1.072 353 S CB 1.589 64.845 63.200 0.094 0.000 1.027 353 S HN 0.276 nan 8.310 nan 0.000 0.500 354 Q N 2.395 122.209 119.800 0.025 0.000 2.327 354 Q HA 0.186 4.526 4.340 0.000 0.000 0.254 354 Q C -0.119 175.900 176.000 0.030 0.000 0.952 354 Q CA 0.231 56.047 55.803 0.021 0.000 0.884 354 Q CB 0.682 29.428 28.738 0.014 0.000 1.224 354 Q HN 0.725 nan 8.270 nan 0.000 0.422 355 T N 3.112 117.680 114.554 0.022 0.000 2.840 355 T HA 0.203 4.553 4.350 0.000 0.000 0.276 355 T C 0.448 175.160 174.700 0.021 0.000 0.912 355 T CA -0.052 62.060 62.100 0.021 0.000 1.116 355 T CB -0.471 68.405 68.868 0.013 0.000 0.895 355 T HN 0.627 nan 8.240 nan 0.000 0.570 356 T N -0.373 114.197 114.554 0.028 0.000 2.887 356 T HA 0.590 4.940 4.350 0.000 0.000 0.292 356 T C 1.313 176.027 174.700 0.024 0.000 1.087 356 T CA -1.049 61.066 62.100 0.026 0.000 1.009 356 T CB 1.091 69.978 68.868 0.032 0.000 1.203 356 T HN 0.221 nan 8.240 nan 0.000 0.518 357 I N 0.510 121.092 120.570 0.020 0.000 2.252 357 I HA -0.120 4.050 4.170 0.000 0.000 0.245 357 I C 2.753 178.882 176.117 0.020 0.000 1.102 357 I CA 1.246 62.556 61.300 0.016 0.000 1.385 357 I CB -0.584 37.424 38.000 0.013 0.000 1.064 357 I HN 0.757 nan 8.210 nan 0.000 0.414 358 T N 0.145 114.717 114.554 0.030 0.000 2.684 358 T HA -0.197 4.153 4.350 0.000 0.000 0.267 358 T C 1.545 176.282 174.700 0.061 0.000 1.036 358 T CA 1.536 63.661 62.100 0.043 0.000 1.148 358 T CB -0.292 68.606 68.868 0.049 0.000 0.863 358 T HN 0.338 nan 8.240 nan 0.000 0.436 359 D N 0.912 121.359 120.400 0.078 0.000 2.219 359 D HA 0.029 4.669 4.640 0.000 0.000 0.205 359 D C 2.272 178.581 176.300 0.015 0.000 0.970 359 D CA 0.901 54.971 54.000 0.118 0.000 0.851 359 D CB -0.073 40.815 40.800 0.147 0.000 0.943 359 D HN 0.404 nan 8.370 nan 0.000 0.488 360 A N 0.952 123.773 122.820 0.001 0.000 1.929 360 A HA -0.092 4.228 4.320 0.000 0.000 0.216 360 A C 2.136 179.689 177.584 -0.053 0.000 1.176 360 A CA 0.574 52.594 52.037 -0.028 0.000 0.628 360 A CB -0.189 18.806 19.000 -0.009 0.000 0.816 360 A HN 0.085 nan 8.150 nan 0.000 0.444 361 I N -0.079 120.470 120.570 -0.034 0.000 2.286 361 I HA -0.118 4.052 4.170 0.000 0.000 0.245 361 I C 2.662 178.735 176.117 -0.073 0.000 1.104 361 I CA 1.398 62.677 61.300 -0.035 0.000 1.397 361 I CB -1.861 36.134 38.000 -0.008 0.000 1.072 361 I HN 0.338 nan 8.210 nan 0.000 0.417 362 G N 0.273 109.019 108.800 -0.090 0.000 2.446 362 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 362 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 362 G C 1.588 176.194 174.900 -0.492 0.000 1.168 362 G CA 0.472 45.465 45.100 -0.177 0.000 0.771 362 G HN 0.400 nan 8.290 nan 0.000 0.551 363 Q N 0.003 119.440 119.800 -0.605 0.000 2.084 363 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 363 Q C 2.852 178.717 176.000 -0.225 0.000 0.978 363 Q CA 1.403 56.866 55.803 -0.567 0.000 0.844 363 Q CB -0.216 28.300 28.738 -0.371 0.000 0.898 363 Q HN 0.477 nan 8.270 nan 0.000 0.426 364 S N -0.358 115.264 115.700 -0.129 0.000 2.368 364 S HA -0.124 4.346 4.470 0.000 0.000 0.225 364 S C 1.954 176.541 174.600 -0.021 0.000 1.030 364 S CA 0.952 59.133 58.200 -0.031 0.000 0.999 364 S CB -0.145 63.040 63.200 -0.025 0.000 0.844 364 S HN 0.210 nan 8.310 nan 0.000 0.459 365 V N 1.925 121.808 119.914 -0.053 0.000 2.295 365 V HA -0.129 3.991 4.120 0.000 0.000 0.246 365 V C 2.825 178.915 176.094 -0.007 0.000 1.049 365 V CA 1.830 64.115 62.300 -0.024 0.000 1.024 365 V CB -1.241 30.572 31.823 -0.017 0.000 0.648 365 V HN 0.605 nan 8.190 nan 0.000 0.447 366 A N -1.453 121.343 122.820 -0.041 0.000 1.933 366 A HA -0.279 4.041 4.320 0.000 0.000 0.218 366 A C 2.184 179.818 177.584 0.083 0.000 1.175 366 A CA 2.050 54.095 52.037 0.013 0.000 0.628 366 A CB -0.882 18.087 19.000 -0.051 0.000 0.814 366 A HN 0.743 nan 8.150 nan 0.000 0.444 367 H N -0.995 118.041 119.070 -0.058 0.000 2.363 367 H HA -0.088 4.468 4.556 0.000 0.000 0.301 367 H C 2.128 177.447 175.328 -0.014 0.000 1.074 367 H CA 1.500 57.531 56.048 -0.029 0.000 1.354 367 H CB 0.260 29.998 29.762 -0.041 0.000 1.397 367 H HN 0.460 nan 8.280 nan 0.000 0.516 368 T N 0.479 115.025 114.554 -0.014 0.000 2.746 368 T HA -0.115 4.235 4.350 0.000 0.000 0.267 368 T C 2.164 176.840 174.700 -0.040 0.000 1.039 368 T CA 0.972 63.025 62.100 -0.080 0.000 1.142 368 T CB -0.456 68.384 68.868 -0.046 0.000 0.866 368 T HN 0.478 nan 8.240 nan 0.000 0.444 369 A N 0.936 123.757 122.820 0.001 0.000 1.940 369 A HA -0.030 4.290 4.320 0.000 0.000 0.219 369 A C 2.186 179.776 177.584 0.010 0.000 1.176 369 A CA 1.194 53.237 52.037 0.011 0.000 0.631 369 A CB -0.661 18.358 19.000 0.032 0.000 0.814 369 A HN 0.344 nan 8.150 nan 0.000 0.446 370 L N 0.217 121.458 121.223 0.030 0.000 2.049 370 L HA -0.062 4.278 4.340 0.000 0.000 0.203 370 L C 1.980 178.857 176.870 0.012 0.000 1.074 370 L CA 1.721 56.587 54.840 0.043 0.000 0.749 370 L CB -0.936 41.189 42.059 0.110 0.000 0.907 370 L HN 0.338 nan 8.230 nan 0.000 0.439 371 N N -0.605 118.073 118.700 -0.037 0.000 2.166 371 N HA -0.135 4.605 4.740 0.000 0.000 0.186 371 N C 1.500 176.982 175.510 -0.046 0.000 1.019 371 N CA 1.041 54.049 53.050 -0.071 0.000 0.856 371 N CB -0.172 38.200 38.487 -0.190 0.000 0.993 371 N HN 0.172 nan 8.380 nan 0.000 0.426 372 L N 0.784 121.980 121.223 -0.045 0.000 2.592 372 L HA 0.093 4.433 4.340 0.000 0.000 0.227 372 L C -0.104 176.755 176.870 -0.019 0.000 1.127 372 L CA 0.143 54.964 54.840 -0.031 0.000 0.884 372 L CB -0.980 41.058 42.059 -0.035 0.000 1.065 372 L HN 0.078 nan 8.230 nan 0.000 0.457 373 D N 0.423 120.816 120.400 -0.013 0.000 2.803 373 D HA -0.170 4.470 4.640 0.000 0.000 0.233 373 D C 0.170 176.462 176.300 -0.014 0.000 1.182 373 D CA 0.761 54.756 54.000 -0.009 0.000 0.726 373 D CB -0.606 40.191 40.800 -0.004 0.000 0.987 373 D HN 0.135 nan 8.370 nan 0.000 0.412 374 V N -1.825 118.081 119.914 -0.012 0.000 2.924 374 V HA 0.650 4.770 4.120 0.000 0.000 0.305 374 V C 1.796 177.883 176.094 -0.012 0.000 1.073 374 V CA 0.217 62.510 62.300 -0.012 0.000 1.098 374 V CB 1.305 33.125 31.823 -0.004 0.000 1.000 374 V HN 0.333 nan 8.190 nan 0.000 0.484 375 A N 2.680 125.491 122.820 -0.015 0.000 2.066 375 A HA 0.668 4.988 4.320 0.000 0.000 0.218 375 A C 1.182 178.761 177.584 -0.010 0.000 1.157 375 A CA 1.085 53.110 52.037 -0.019 0.000 0.670 375 A CB -0.483 18.501 19.000 -0.027 0.000 0.804 375 A HN 2.358 nan 8.150 nan 0.000 0.453 376 A N -1.453 121.369 122.820 0.004 0.000 2.581 376 A HA 0.569 4.889 4.320 0.000 0.000 0.294 376 A C -1.339 176.263 177.584 0.029 0.000 1.035 376 A CA -0.557 51.492 52.037 0.020 0.000 0.684 376 A CB 0.201 19.210 19.000 0.015 0.000 1.282 376 A HN 0.247 nan 8.150 nan 0.000 0.417 377 I N 1.853 122.451 120.570 0.047 0.000 2.354 377 I HA 0.423 4.593 4.170 0.000 0.000 0.286 377 I C -0.591 175.552 176.117 0.044 0.000 1.007 377 I CA -0.851 60.477 61.300 0.046 0.000 1.167 377 I CB 1.620 39.659 38.000 0.066 0.000 1.320 377 I HN 0.375 nan 8.210 nan 0.000 0.458 378 V N 4.556 124.484 119.914 0.023 0.000 2.472 378 V HA 0.461 4.581 4.120 0.000 0.000 0.290 378 V C 0.395 176.493 176.094 0.008 0.000 1.037 378 V CA -0.455 61.853 62.300 0.013 0.000 0.908 378 V CB 1.556 33.371 31.823 -0.012 0.000 0.985 378 V HN 0.830 nan 8.190 nan 0.000 0.454 379 T N 2.485 117.045 114.554 0.010 0.000 3.141 379 T HA 0.441 4.791 4.350 0.000 0.000 0.377 379 T C -2.807 171.889 174.700 -0.007 0.000 1.258 379 T CA -2.046 60.056 62.100 0.005 0.000 1.263 379 T CB 1.204 70.084 68.868 0.020 0.000 1.066 379 T HN 0.379 nan 8.240 nan 0.000 0.546 380 P HA 0.336 nan 4.420 nan 0.000 0.267 380 P C -0.149 177.131 177.300 -0.035 0.000 1.205 380 P CA 0.289 63.367 63.100 -0.037 0.000 0.765 380 P CB 0.791 32.458 31.700 -0.054 0.000 0.828 381 T N 1.565 116.098 114.554 -0.035 0.000 2.916 381 T HA 0.296 4.646 4.350 0.000 0.000 0.305 381 T C 0.695 175.377 174.700 -0.030 0.000 1.119 381 T CA -0.589 61.496 62.100 -0.025 0.000 1.008 381 T CB 0.968 69.833 68.868 -0.004 0.000 1.129 381 T HN -0.078 nan 8.240 nan 0.000 0.480 382 V N 2.957 122.859 119.914 -0.021 0.000 2.426 382 V HA 0.134 4.254 4.120 0.000 0.000 0.242 382 V C 1.911 178.014 176.094 0.015 0.000 1.036 382 V CA 1.385 63.684 62.300 -0.001 0.000 1.044 382 V CB 0.244 32.076 31.823 0.014 0.000 0.688 382 V HN 0.901 nan 8.190 nan 0.000 0.462 383 S N -1.311 114.397 115.700 0.012 0.000 2.666 383 S HA 0.441 4.911 4.470 0.000 0.000 0.239 383 S C 1.267 175.874 174.600 0.013 0.000 1.031 383 S CA 0.574 58.781 58.200 0.013 0.000 1.015 383 S CB 1.334 64.543 63.200 0.016 0.000 0.981 383 S HN 0.796 nan 8.310 nan 0.000 0.547 384 G N 2.270 111.078 108.800 0.013 0.000 2.176 384 G HA2 -0.266 3.694 3.960 0.000 0.000 0.232 384 G HA3 -0.266 3.694 3.960 0.000 0.000 0.232 384 G C 0.817 175.732 174.900 0.025 0.000 0.986 384 G CA 0.451 45.562 45.100 0.019 0.000 0.643 384 G HN 0.421 nan 8.290 nan 0.000 0.522 385 K N -0.107 120.307 120.400 0.022 0.000 2.009 385 K HA -0.092 4.228 4.320 0.000 0.000 0.210 385 K C 2.617 179.237 176.600 0.034 0.000 1.049 385 K CA 2.002 58.305 56.287 0.026 0.000 0.929 385 K CB -0.438 32.076 32.500 0.023 0.000 0.714 385 K HN 0.359 nan 8.250 nan 0.000 0.440 386 T N 1.429 116.002 114.554 0.031 0.000 2.684 386 T HA -0.104 4.246 4.350 0.000 0.000 0.267 386 T C -1.095 173.636 174.700 0.051 0.000 1.036 386 T CA 1.492 63.616 62.100 0.040 0.000 1.148 386 T CB -0.945 67.940 68.868 0.028 0.000 0.863 386 T HN 0.142 nan 8.240 nan 0.000 0.436 387 P HA -0.056 nan 4.420 nan 0.000 0.215 387 P C 1.784 179.120 177.300 0.059 0.000 1.157 387 P CA 1.091 64.219 63.100 0.048 0.000 0.863 387 P CB -0.100 31.617 31.700 0.029 0.000 0.787 388 Q N -1.241 118.588 119.800 0.049 0.000 2.096 388 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 388 Q C 2.139 178.164 176.000 0.041 0.000 0.982 388 Q CA 1.271 57.101 55.803 0.046 0.000 0.850 388 Q CB -0.710 28.050 28.738 0.037 0.000 0.901 388 Q HN 0.233 nan 8.270 nan 0.000 0.422 389 M N 0.738 120.369 119.600 0.053 0.000 2.086 389 M HA -0.137 4.343 4.480 0.000 0.000 0.261 389 M C 2.054 178.438 176.300 0.139 0.000 1.067 389 M CA 1.461 56.803 55.300 0.071 0.000 1.116 389 M CB -0.406 32.250 32.600 0.095 0.000 1.348 389 M HN 0.062 nan 8.290 nan 0.000 0.407 390 V N 1.168 121.181 119.914 0.164 0.000 2.490 390 V HA -0.210 3.910 4.120 0.000 0.000 0.250 390 V C 2.783 179.002 176.094 0.208 0.000 1.061 390 V CA 1.620 64.058 62.300 0.229 0.000 1.064 390 V CB -1.643 30.273 31.823 0.155 0.000 0.670 390 V HN 0.620 nan 8.190 nan 0.000 0.461 391 A N -0.020 122.888 122.820 0.146 0.000 1.972 391 A HA -0.269 4.051 4.320 0.000 0.000 0.219 391 A C 2.332 179.908 177.584 -0.014 0.000 1.169 391 A CA 2.072 54.209 52.037 0.168 0.000 0.635 391 A CB -0.506 18.602 19.000 0.179 0.000 0.810 391 A HN 0.550 nan 8.150 nan 0.000 0.446 392 K N -1.453 118.885 120.400 -0.103 0.000 2.152 392 K HA -0.189 4.131 4.320 0.000 0.000 0.206 392 K C 1.020 177.358 176.600 -0.436 0.000 1.048 392 K CA 1.610 57.710 56.287 -0.311 0.000 0.933 392 K CB -0.305 31.956 32.500 -0.399 0.000 0.721 392 K HN 0.544 nan 8.250 nan 0.000 0.447 393 Y N 1.254 121.510 120.300 -0.073 0.000 2.502 393 Y HA 0.135 4.685 4.550 0.000 0.000 0.295 393 Y C -0.059 175.791 175.900 -0.082 0.000 1.193 393 Y CA 0.028 58.092 58.100 -0.060 0.000 1.295 393 Y CB 0.170 38.628 38.460 -0.003 0.000 1.059 393 Y HN -0.032 nan 8.280 nan 0.000 0.514 394 R N -1.075 119.330 120.500 -0.158 0.000 3.109 394 R HA -0.183 4.157 4.340 0.000 0.000 0.241 394 R C -2.857 173.566 176.300 0.206 0.000 0.882 394 R CA 0.069 55.919 56.100 -0.417 0.000 0.604 394 R CB -2.185 27.699 30.300 -0.692 0.000 1.040 394 R HN 0.296 nan 8.270 nan 0.000 0.480 395 P HA 0.041 nan 4.420 nan 0.000 0.269 395 P C 0.896 178.365 177.300 0.281 0.000 1.209 395 P CA -0.201 63.101 63.100 0.336 0.000 0.776 395 P CB 0.747 32.602 31.700 0.258 0.000 0.876 396 K N 2.652 122.956 120.400 -0.160 0.000 2.062 396 K HA 0.039 4.359 4.320 0.000 0.000 0.205 396 K C 0.679 177.213 176.600 -0.111 0.000 1.051 396 K CA 0.578 56.566 56.287 -0.499 0.000 0.941 396 K CB -0.370 31.774 32.500 -0.593 0.000 0.719 396 K HN 0.561 nan 8.250 nan 0.000 0.440 397 A N 2.386 125.187 122.820 -0.032 0.000 2.445 397 A HA 0.247 4.567 4.320 0.000 0.000 0.242 397 A C -2.381 175.245 177.584 0.070 0.000 1.075 397 A CA -1.210 50.835 52.037 0.012 0.000 0.777 397 A CB -0.090 18.923 19.000 0.021 0.000 1.013 397 A HN 0.202 nan 8.150 nan 0.000 0.493 398 P HA 0.244 nan 4.420 nan 0.000 0.269 398 P C -0.765 176.641 177.300 0.177 0.000 1.215 398 P CA 0.189 63.402 63.100 0.188 0.000 0.780 398 P CB 0.424 32.196 31.700 0.119 0.000 0.898 399 I N 3.191 123.879 120.570 0.197 0.000 2.330 399 I HA 0.305 4.475 4.170 0.000 0.000 0.289 399 I C 0.141 176.337 176.117 0.132 0.000 1.001 399 I CA -0.399 60.970 61.300 0.115 0.000 1.193 399 I CB 0.632 38.672 38.000 0.067 0.000 1.345 399 I HN 0.110 nan 8.210 nan 0.000 0.461 400 I N 6.512 127.148 120.570 0.110 0.000 2.307 400 I HA 0.354 4.524 4.170 0.000 0.000 0.287 400 I C 0.545 176.692 176.117 0.051 0.000 1.054 400 I CA -0.298 61.062 61.300 0.100 0.000 1.218 400 I CB 0.988 39.030 38.000 0.069 0.000 1.398 400 I HN 0.574 nan 8.210 nan 0.000 0.475 401 A N 6.741 129.586 122.820 0.040 0.000 2.320 401 A HA 0.565 4.885 4.320 0.000 0.000 0.287 401 A C -0.192 177.401 177.584 0.015 0.000 1.181 401 A CA -0.336 51.712 52.037 0.019 0.000 0.831 401 A CB 0.613 19.620 19.000 0.011 0.000 1.102 401 A HN 0.470 nan 8.150 nan 0.000 0.513 402 V N 4.274 124.190 119.914 0.002 0.000 2.294 402 V HA 0.375 4.495 4.120 0.000 0.000 0.272 402 V C 0.807 176.893 176.094 -0.014 0.000 1.027 402 V CA 0.089 62.385 62.300 -0.006 0.000 0.823 402 V CB 0.713 32.526 31.823 -0.018 0.000 1.030 402 V HN 1.082 nan 8.190 nan 0.000 0.457 403 T N 1.198 115.749 114.554 -0.006 0.000 2.897 403 T HA 0.448 4.798 4.350 0.000 0.000 0.278 403 T C 0.696 175.394 174.700 -0.003 0.000 0.981 403 T CA 0.033 62.129 62.100 -0.006 0.000 0.973 403 T CB 1.815 70.683 68.868 0.001 0.000 1.092 403 T HN 0.627 nan 8.240 nan 0.000 0.543 404 S N 0.200 115.905 115.700 0.008 0.000 2.754 404 S HA 0.299 4.769 4.470 0.000 0.000 0.247 404 S C -0.001 174.617 174.600 0.029 0.000 1.031 404 S CA -0.800 57.417 58.200 0.029 0.000 1.014 404 S CB -0.588 62.654 63.200 0.070 0.000 0.918 404 S HN 0.859 nan 8.310 nan 0.000 0.519 405 N N 1.172 119.878 118.700 0.010 0.000 2.503 405 N HA 0.223 4.963 4.740 0.000 0.000 0.287 405 N C 0.094 175.595 175.510 -0.016 0.000 1.096 405 N CA -0.347 52.698 53.050 -0.008 0.000 0.936 405 N CB 1.865 40.344 38.487 -0.013 0.000 1.570 405 N HN 0.132 nan 8.380 nan 0.000 0.504 406 E N 1.886 122.072 120.200 -0.022 0.000 2.153 406 E HA -0.128 4.222 4.350 0.000 0.000 0.194 406 E C 1.417 178.001 176.600 -0.027 0.000 0.988 406 E CA 1.491 57.880 56.400 -0.019 0.000 0.811 406 E CB 0.136 29.825 29.700 -0.019 0.000 0.746 406 E HN 0.699 nan 8.360 nan 0.000 0.466 407 A N 0.750 123.539 122.820 -0.052 0.000 1.972 407 A HA -0.096 4.224 4.320 0.000 0.000 0.219 407 A C 2.208 179.762 177.584 -0.051 0.000 1.169 407 A CA 0.785 52.781 52.037 -0.068 0.000 0.635 407 A CB -0.099 18.824 19.000 -0.128 0.000 0.810 407 A HN -0.128 nan 8.150 nan 0.000 0.446 408 V N 0.420 120.312 119.914 -0.036 0.000 2.427 408 V HA -0.137 3.983 4.120 0.000 0.000 0.248 408 V C 2.026 178.120 176.094 -0.001 0.000 1.051 408 V CA 0.203 62.492 62.300 -0.018 0.000 1.048 408 V CB -0.403 31.415 31.823 -0.008 0.000 0.666 408 V HN 0.240 nan 8.190 nan 0.000 0.456 409 S N -0.350 115.352 115.700 0.003 0.000 2.368 409 S HA -0.183 4.287 4.470 0.000 0.000 0.225 409 S C 2.095 176.717 174.600 0.036 0.000 1.030 409 S CA 1.420 59.630 58.200 0.018 0.000 0.999 409 S CB -0.273 62.937 63.200 0.016 0.000 0.844 409 S HN 0.544 nan 8.310 nan 0.000 0.459 410 R N 0.768 121.287 120.500 0.031 0.000 2.115 410 R HA 0.032 4.372 4.340 0.000 0.000 0.230 410 R C 2.528 178.908 176.300 0.133 0.000 1.111 410 R CA 0.940 57.082 56.100 0.070 0.000 0.976 410 R CB -0.237 30.086 30.300 0.038 0.000 0.870 410 R HN 0.313 nan 8.270 nan 0.000 0.445 411 R N 1.227 121.752 120.500 0.041 0.000 2.120 411 R HA -0.090 4.250 4.340 0.000 0.000 0.234 411 R C 1.677 178.115 176.300 0.230 0.000 1.123 411 R CA 1.209 57.346 56.100 0.061 0.000 0.975 411 R CB -0.086 30.187 30.300 -0.044 0.000 0.866 411 R HN 0.202 nan 8.270 nan 0.000 0.446 412 L N 0.106 121.402 121.223 0.122 0.000 2.558 412 L HA 0.166 4.506 4.340 0.000 0.000 0.225 412 L C 2.298 179.204 176.870 0.060 0.000 1.128 412 L CA 0.282 55.172 54.840 0.083 0.000 0.868 412 L CB -0.037 42.042 42.059 0.032 0.000 1.006 412 L HN 0.245 nan 8.230 nan 0.000 0.454 413 A N 0.275 123.155 122.820 0.099 0.000 2.019 413 A HA -0.185 4.135 4.320 0.000 0.000 0.219 413 A C 2.140 179.736 177.584 0.021 0.000 1.164 413 A CA 1.354 53.428 52.037 0.061 0.000 0.644 413 A CB -0.291 18.768 19.000 0.098 0.000 0.805 413 A HN 0.357 nan 8.150 nan 0.000 0.449 414 L N -0.570 120.670 121.223 0.030 0.000 2.446 414 L HA 0.174 4.514 4.340 0.000 0.000 0.219 414 L C 0.505 177.354 176.870 -0.035 0.000 1.116 414 L CA 0.613 55.407 54.840 -0.076 0.000 0.844 414 L CB 0.085 41.978 42.059 -0.277 0.000 0.970 414 L HN 0.078 nan 8.230 nan 0.000 0.457 415 V N 0.107 120.024 119.914 0.006 0.000 2.555 415 V HA -0.031 4.089 4.120 0.000 0.000 0.286 415 V C -0.235 175.881 176.094 0.037 0.000 1.044 415 V CA -0.762 61.559 62.300 0.035 0.000 1.026 415 V CB 0.299 32.148 31.823 0.044 0.000 0.981 415 V HN 0.412 nan 8.190 nan 0.000 0.480 416 W N 4.811 126.054 121.300 -0.094 0.000 2.343 416 W HA 0.363 5.023 4.660 -0.000 0.000 0.337 416 W C 1.355 177.794 176.519 -0.134 0.000 1.320 416 W CA 1.324 58.613 57.345 -0.093 0.000 1.290 416 W CB 0.321 29.746 29.460 -0.059 0.000 1.206 416 W HN 1.040 nan 8.180 nan 0.000 0.565 417 G N 3.332 111.750 108.800 -0.637 0.000 2.233 417 G HA2 -0.276 3.684 3.960 0.000 0.000 0.270 417 G HA3 -0.276 3.684 3.960 0.000 0.000 0.270 417 G C -0.536 173.951 174.900 -0.689 0.000 1.011 417 G CA 0.238 44.917 45.100 -0.701 0.000 0.762 417 G HN 0.691 nan 8.290 nan 0.000 0.511 418 V N 0.530 120.008 119.914 -0.727 0.000 2.357 418 V HA 0.570 4.690 4.120 0.000 0.000 0.284 418 V C -0.416 175.218 176.094 -0.767 0.000 1.018 418 V CA -0.985 60.962 62.300 -0.589 0.000 0.841 418 V CB 1.003 32.705 31.823 -0.202 0.000 0.991 418 V HN 0.262 nan 8.190 nan 0.000 0.437 419 Y N 2.560 122.851 120.300 -0.015 0.000 2.334 419 Y HA 0.552 5.102 4.550 0.000 0.000 0.336 419 Y C 0.986 176.884 175.900 -0.005 0.000 0.960 419 Y CA -0.900 57.190 58.100 -0.016 0.000 1.164 419 Y CB 1.509 39.951 38.460 -0.030 0.000 1.155 419 Y HN 0.700 nan 8.280 nan 0.000 0.478 420 T N 0.162 114.765 114.554 0.083 0.000 2.847 420 T HA 0.702 5.052 4.350 0.000 0.000 0.279 420 T C -0.532 174.201 174.700 0.055 0.000 0.984 420 T CA -0.854 61.277 62.100 0.053 0.000 0.988 420 T CB 1.817 70.704 68.868 0.032 0.000 1.040 420 T HN 0.651 nan 8.240 nan 0.000 0.528 421 K N 0.412 120.832 120.400 0.033 0.000 2.572 421 K HA 0.418 4.738 4.320 0.000 0.000 0.263 421 K C -1.564 175.042 176.600 0.010 0.000 0.932 421 K CA -0.629 55.671 56.287 0.022 0.000 0.838 421 K CB 2.143 34.655 32.500 0.020 0.000 1.366 421 K HN 0.715 nan 8.250 nan 0.000 0.425 422 E N 0.726 120.930 120.200 0.007 0.000 2.212 422 E HA 0.799 5.149 4.350 0.000 0.000 0.270 422 E C -1.282 175.318 176.600 -0.000 0.000 0.956 422 E CA -0.727 55.675 56.400 0.003 0.000 0.825 422 E CB 2.060 31.763 29.700 0.004 0.000 1.167 422 E HN 0.579 nan 8.360 nan 0.000 0.400 423 A N 2.087 124.906 122.820 -0.001 0.000 2.612 423 A HA 0.641 4.961 4.320 0.000 0.000 0.293 423 A C -2.749 174.840 177.584 0.009 0.000 1.075 423 A CA -1.553 50.483 52.037 -0.001 0.000 0.680 423 A CB 0.721 19.714 19.000 -0.012 0.000 1.279 423 A HN 0.461 nan 8.150 nan 0.000 0.411 424 P HA 0.063 nan 4.420 nan 0.000 0.264 424 P C -0.472 176.863 177.300 0.059 0.000 1.183 424 P CA 0.348 63.472 63.100 0.039 0.000 0.763 424 P CB 0.149 31.867 31.700 0.030 0.000 0.807 425 H N 3.561 122.624 119.070 -0.012 0.000 3.070 425 H HA 0.095 4.651 4.556 -0.000 0.000 0.313 425 H C -0.410 174.912 175.328 -0.010 0.000 0.997 425 H CA 0.137 56.178 56.048 -0.012 0.000 1.438 425 H CB 0.205 29.959 29.762 -0.013 0.000 1.455 425 H HN 0.124 nan 8.280 nan 0.000 0.575 426 V N 3.478 123.268 119.914 -0.207 0.000 2.732 426 V HA 0.293 4.413 4.120 0.000 0.000 0.310 426 V C 0.574 176.608 176.094 -0.098 0.000 1.053 426 V CA -0.664 61.591 62.300 -0.075 0.000 0.957 426 V CB 1.885 33.656 31.823 -0.087 0.000 1.018 426 V HN 0.888 nan 8.190 nan 0.000 0.452 427 N N 0.620 119.336 118.700 0.027 0.000 2.177 427 N HA 0.121 4.861 4.740 0.000 0.000 0.218 427 N C 0.265 175.784 175.510 0.015 0.000 1.182 427 N CA 0.499 53.578 53.050 0.049 0.000 0.882 427 N CB 0.596 39.169 38.487 0.143 0.000 1.052 427 N HN 0.981 nan 8.380 nan 0.000 0.519 428 T N -3.987 110.566 114.554 -0.002 0.000 2.893 428 T HA 0.367 4.717 4.350 0.000 0.000 0.291 428 T C 0.775 175.466 174.700 -0.016 0.000 1.028 428 T CA -0.365 61.733 62.100 -0.003 0.000 0.995 428 T CB 1.693 70.562 68.868 0.002 0.000 1.051 428 T HN -0.094 nan 8.240 nan 0.000 0.470 429 T N 1.469 116.015 114.554 -0.013 0.000 2.665 429 T HA -0.123 4.227 4.350 0.000 0.000 0.268 429 T C 1.368 176.056 174.700 -0.020 0.000 1.035 429 T CA 1.735 63.824 62.100 -0.017 0.000 1.151 429 T CB -0.504 68.358 68.868 -0.011 0.000 0.862 429 T HN 0.713 nan 8.240 nan 0.000 0.438 430 D N 0.713 121.105 120.400 -0.014 0.000 2.263 430 D HA -0.050 4.590 4.640 0.000 0.000 0.208 430 D C 2.130 178.418 176.300 -0.021 0.000 0.971 430 D CA 0.814 54.806 54.000 -0.013 0.000 0.867 430 D CB -0.090 40.707 40.800 -0.005 0.000 0.929 430 D HN 0.564 nan 8.370 nan 0.000 0.492 431 E N 0.060 120.247 120.200 -0.022 0.000 2.051 431 E HA -0.078 4.272 4.350 0.000 0.000 0.189 431 E C 2.068 178.643 176.600 -0.042 0.000 0.979 431 E CA 0.257 56.642 56.400 -0.026 0.000 0.803 431 E CB -0.065 29.624 29.700 -0.020 0.000 0.761 431 E HN 0.125 nan 8.360 nan 0.000 0.451 432 M N 1.140 120.710 119.600 -0.049 0.000 2.108 432 M HA -0.175 4.305 4.480 0.000 0.000 0.261 432 M C 1.972 178.235 176.300 -0.061 0.000 1.066 432 M CA 1.556 56.819 55.300 -0.061 0.000 1.107 432 M CB -0.326 32.236 32.600 -0.062 0.000 1.356 432 M HN 0.138 nan 8.290 nan 0.000 0.406 433 L N 0.116 121.304 121.223 -0.057 0.000 2.017 433 L HA -0.244 4.096 4.340 0.000 0.000 0.208 433 L C 2.176 178.983 176.870 -0.104 0.000 1.073 433 L CA 1.440 56.235 54.840 -0.076 0.000 0.745 433 L CB -1.037 40.989 42.059 -0.056 0.000 0.894 433 L HN 0.234 nan 8.230 nan 0.000 0.432 434 D N -0.181 120.174 120.400 -0.075 0.000 2.097 434 D HA -0.159 4.481 4.640 0.000 0.000 0.195 434 D C 2.330 178.586 176.300 -0.074 0.000 0.989 434 D CA 1.128 55.085 54.000 -0.072 0.000 0.827 434 D CB -0.352 40.425 40.800 -0.038 0.000 0.966 434 D HN 0.046 nan 8.370 nan 0.000 0.456 435 V N 1.299 121.177 119.914 -0.060 0.000 2.392 435 V HA -0.274 3.846 4.120 0.000 0.000 0.249 435 V C 2.456 178.512 176.094 -0.064 0.000 1.059 435 V CA 1.860 64.128 62.300 -0.054 0.000 1.051 435 V CB -0.812 30.981 31.823 -0.050 0.000 0.658 435 V HN 0.204 nan 8.190 nan 0.000 0.455 436 A N -0.290 122.482 122.820 -0.080 0.000 1.873 436 A HA -0.152 4.168 4.320 0.000 0.000 0.215 436 A C 2.389 179.907 177.584 -0.111 0.000 1.186 436 A CA 2.009 53.995 52.037 -0.084 0.000 0.616 436 A CB -0.727 18.220 19.000 -0.090 0.000 0.823 436 A HN 0.326 nan 8.150 nan 0.000 0.442 437 V N 0.755 120.564 119.914 -0.175 0.000 2.392 437 V HA -0.282 3.838 4.120 0.000 0.000 0.249 437 V C 2.142 178.172 176.094 -0.106 0.000 1.059 437 V CA 2.484 64.654 62.300 -0.217 0.000 1.051 437 V CB -0.992 30.622 31.823 -0.348 0.000 0.658 437 V HN 0.539 nan 8.190 nan 0.000 0.455 438 D N 0.528 120.882 120.400 -0.078 0.000 2.097 438 D HA -0.105 4.535 4.640 0.000 0.000 0.195 438 D C 2.238 178.514 176.300 -0.040 0.000 0.989 438 D CA 1.595 55.568 54.000 -0.046 0.000 0.827 438 D CB -0.475 40.304 40.800 -0.035 0.000 0.966 438 D HN 0.418 nan 8.370 nan 0.000 0.456 439 A N 0.901 123.697 122.820 -0.040 0.000 1.908 439 A HA -0.103 4.217 4.320 0.000 0.000 0.218 439 A C 2.280 179.846 177.584 -0.029 0.000 1.181 439 A CA 2.366 54.386 52.037 -0.028 0.000 0.627 439 A CB -0.984 18.003 19.000 -0.022 0.000 0.818 439 A HN 0.240 nan 8.150 nan 0.000 0.445 440 A N -0.635 122.162 122.820 -0.038 0.000 1.883 440 A HA -0.036 4.284 4.320 0.000 0.000 0.217 440 A C 2.258 179.816 177.584 -0.043 0.000 1.186 440 A CA 1.924 53.939 52.037 -0.036 0.000 0.624 440 A CB -1.017 17.960 19.000 -0.038 0.000 0.822 440 A HN 0.423 nan 8.150 nan 0.000 0.444 441 V N 0.031 119.917 119.914 -0.048 0.000 2.295 441 V HA -0.278 3.843 4.120 0.000 0.000 0.246 441 V C 2.654 178.718 176.094 -0.050 0.000 1.049 441 V CA 2.316 64.581 62.300 -0.058 0.000 1.024 441 V CB -0.832 30.960 31.823 -0.052 0.000 0.648 441 V HN 0.540 nan 8.190 nan 0.000 0.447 442 R N 0.749 121.227 120.500 -0.037 0.000 2.092 442 R HA -0.132 4.208 4.340 0.000 0.000 0.231 442 R C 2.583 178.863 176.300 -0.034 0.000 1.119 442 R CA 1.490 57.571 56.100 -0.031 0.000 0.970 442 R CB -0.666 29.621 30.300 -0.022 0.000 0.864 442 R HN 0.678 nan 8.270 nan 0.000 0.440 443 S N -0.030 115.650 115.700 -0.035 0.000 2.423 443 S HA -0.168 4.302 4.470 0.000 0.000 0.238 443 S C 1.722 176.289 174.600 -0.056 0.000 1.028 443 S CA 1.478 59.653 58.200 -0.041 0.000 1.000 443 S CB -0.497 62.680 63.200 -0.038 0.000 0.797 443 S HN 0.604 nan 8.310 nan 0.000 0.487 444 G N 0.491 109.257 108.800 -0.056 0.000 2.179 444 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 444 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 444 G C 0.541 175.401 174.900 -0.067 0.000 0.977 444 G CA 0.456 45.520 45.100 -0.059 0.000 0.641 444 G HN 0.600 nan 8.290 nan 0.000 0.533 445 L N 0.257 121.438 121.223 -0.070 0.000 2.558 445 L HA 0.366 4.706 4.340 0.000 0.000 0.225 445 L C 1.240 178.073 176.870 -0.061 0.000 1.128 445 L CA 0.742 55.539 54.840 -0.071 0.000 0.868 445 L CB 0.382 42.396 42.059 -0.076 0.000 1.006 445 L HN 0.433 nan 8.230 nan 0.000 0.454 446 V N -3.702 116.173 119.914 -0.065 0.000 2.735 446 V HA 0.583 4.703 4.120 0.000 0.000 0.310 446 V C -0.580 175.456 176.094 -0.097 0.000 1.061 446 V CA -0.835 61.423 62.300 -0.070 0.000 0.913 446 V CB 2.461 34.247 31.823 -0.061 0.000 1.005 446 V HN -0.114 nan 8.190 nan 0.000 0.428 447 K N 1.724 122.069 120.400 -0.092 0.000 2.281 447 K HA 0.480 4.800 4.320 0.000 0.000 0.242 447 K C -0.481 176.054 176.600 -0.108 0.000 0.971 447 K CA -0.805 55.421 56.287 -0.103 0.000 0.834 447 K CB 1.543 34.013 32.500 -0.049 0.000 1.181 447 K HN 1.061 nan 8.250 nan 0.000 0.435 448 H N -0.430 118.619 119.070 -0.035 0.000 3.064 448 H HA 0.060 4.616 4.556 0.000 0.000 0.329 448 H C 1.216 176.505 175.328 -0.065 0.000 1.020 448 H CA 2.361 58.388 56.048 -0.034 0.000 1.402 448 H CB 0.430 30.180 29.762 -0.020 0.000 1.379 448 H HN 0.914 nan 8.280 nan 0.000 0.594 449 G N 2.390 111.215 108.800 0.043 0.000 2.234 449 G HA2 -0.270 3.690 3.960 0.000 0.000 0.235 449 G HA3 -0.270 3.690 3.960 0.000 0.000 0.235 449 G C 0.079 174.927 174.900 -0.086 0.000 0.997 449 G CA 0.082 45.149 45.100 -0.055 0.000 0.623 449 G HN 0.595 nan 8.290 nan 0.000 0.514 450 D N 0.448 120.809 120.400 -0.065 0.000 2.358 450 D HA 0.628 5.268 4.640 0.000 0.000 0.244 450 D C 0.932 177.199 176.300 -0.055 0.000 1.163 450 D CA 0.091 54.055 54.000 -0.060 0.000 0.945 450 D CB 0.914 41.684 40.800 -0.050 0.000 1.152 450 D HN 0.341 nan 8.370 nan 0.000 0.451 451 L N 0.268 121.466 121.223 -0.041 0.000 2.330 451 L HA 0.657 4.997 4.340 0.000 0.000 0.271 451 L C -0.262 176.611 176.870 0.005 0.000 1.013 451 L CA -1.135 53.690 54.840 -0.025 0.000 0.816 451 L CB 1.816 43.853 42.059 -0.036 0.000 1.287 451 L HN 0.151 nan 8.230 nan 0.000 0.435 452 V N -0.363 119.573 119.914 0.037 0.000 2.925 452 V HA 0.641 4.761 4.120 0.000 0.000 0.311 452 V C -0.768 175.349 176.094 0.039 0.000 1.104 452 V CA -0.719 61.602 62.300 0.035 0.000 0.954 452 V CB 2.069 33.913 31.823 0.035 0.000 1.022 452 V HN 0.388 nan 8.190 nan 0.000 0.427 453 V N 4.918 124.847 119.914 0.024 0.000 2.347 453 V HA 0.512 4.632 4.120 0.000 0.000 0.280 453 V C -0.016 176.086 176.094 0.014 0.000 1.021 453 V CA -0.266 62.046 62.300 0.020 0.000 0.847 453 V CB 1.206 33.038 31.823 0.016 0.000 0.990 453 V HN 0.771 nan 8.190 nan 0.000 0.444 454 I N 4.259 124.834 120.570 0.008 0.000 2.359 454 I HA 0.554 4.724 4.170 0.000 0.000 0.294 454 I C 0.205 176.320 176.117 -0.003 0.000 0.987 454 I CA 0.004 61.299 61.300 -0.008 0.000 1.225 454 I CB 1.832 39.812 38.000 -0.033 0.000 1.366 454 I HN 0.581 nan 8.210 nan 0.000 0.466 455 T N 4.521 119.075 114.554 -0.001 0.000 2.916 455 T HA 0.873 5.223 4.350 0.000 0.000 0.305 455 T C -1.136 173.564 174.700 0.000 0.000 1.119 455 T CA -0.306 61.795 62.100 0.003 0.000 1.008 455 T CB 1.637 70.512 68.868 0.012 0.000 1.129 455 T HN 0.900 nan 8.240 nan 0.000 0.480 456 A N 1.890 124.709 122.820 -0.001 0.000 2.483 456 A HA 0.807 5.127 4.320 0.000 0.000 0.294 456 A C -0.453 177.129 177.584 -0.003 0.000 1.077 456 A CA -0.393 51.641 52.037 -0.005 0.000 0.633 456 A CB 0.481 19.470 19.000 -0.018 0.000 1.318 456 A HN 1.291 nan 8.150 nan 0.000 0.455 457 G N -0.458 108.339 108.800 -0.004 0.000 2.415 457 G HA2 0.710 4.670 3.960 0.000 0.000 0.327 457 G HA3 0.710 4.670 3.960 0.000 0.000 0.327 457 G C -0.293 174.603 174.900 -0.006 0.000 1.182 457 G CA 0.137 45.237 45.100 -0.001 0.000 0.924 457 G HN 2.042 nan 8.290 nan 0.000 0.470 458 V N 1.656 121.568 119.914 -0.003 0.000 2.667 458 V HA 0.658 4.778 4.120 0.000 0.000 0.308 458 V C -0.864 175.231 176.094 0.002 0.000 1.048 458 V CA -1.616 60.682 62.300 -0.004 0.000 0.928 458 V CB 1.514 33.335 31.823 -0.004 0.000 1.004 458 V HN 0.573 nan 8.190 nan 0.000 0.444 459 P HA -0.318 nan 4.420 nan 0.000 0.221 459 P C 1.253 178.551 177.300 -0.003 0.000 0.967 459 P CA 3.949 67.052 63.100 0.006 0.000 1.038 459 P CB -0.109 31.600 31.700 0.014 0.000 0.731 460 V N -8.185 111.723 119.914 -0.011 0.000 0.363 460 V HA -0.159 3.961 4.120 0.000 0.000 0.092 460 V C 1.530 177.584 176.094 -0.066 0.000 2.803 460 V CA 1.546 63.823 62.300 -0.038 0.000 3.846 460 V CB -2.439 29.354 31.823 -0.050 0.000 1.093 460 V HN 0.406 nan 8.190 nan 0.000 1.152 461 G N 0.664 109.450 108.800 -0.022 0.000 2.712 461 G HA2 0.293 4.253 3.960 0.000 0.000 0.212 461 G HA3 0.293 4.253 3.960 0.000 0.000 0.212 461 G C 0.405 175.382 174.900 0.129 0.000 1.142 461 G CA 1.040 46.155 45.100 0.026 0.000 0.789 461 G HN 0.910 nan 8.290 nan 0.000 0.535 462 E N -0.781 119.455 120.200 0.060 0.000 2.281 462 E HA 0.498 4.848 4.350 0.000 0.000 0.262 462 E C -0.570 176.048 176.600 0.031 0.000 0.933 462 E CA -0.639 55.796 56.400 0.058 0.000 0.809 462 E CB 1.618 31.343 29.700 0.042 0.000 1.242 462 E HN -0.019 nan 8.360 nan 0.000 0.418 463 T N 0.188 114.760 114.554 0.030 0.000 2.874 463 T HA 0.741 5.091 4.350 0.000 0.000 0.281 463 T C 0.085 174.795 174.700 0.016 0.000 0.994 463 T CA 0.510 62.622 62.100 0.019 0.000 1.015 463 T CB 0.929 69.809 68.868 0.020 0.000 1.028 463 T HN 0.679 nan 8.240 nan 0.000 0.523 464 G N 1.413 110.222 108.800 0.014 0.000 2.404 464 G HA2 0.351 4.311 3.960 0.000 0.000 0.253 464 G HA3 0.351 4.311 3.960 0.000 0.000 0.253 464 G C -0.281 174.628 174.900 0.015 0.000 1.253 464 G CA -0.012 45.096 45.100 0.014 0.000 0.917 464 G HN 1.262 nan 8.290 nan 0.000 0.480 465 S N -0.842 114.867 115.700 0.015 0.000 2.593 465 S HA 0.567 5.037 4.470 0.000 0.000 0.269 465 S C 0.097 174.707 174.600 0.017 0.000 1.334 465 S CA 0.776 58.986 58.200 0.018 0.000 1.015 465 S CB 1.204 64.413 63.200 0.016 0.000 0.912 465 S HN 0.953 nan 8.310 nan 0.000 0.541 466 T N 2.468 117.035 114.554 0.022 0.000 2.749 466 T HA 0.419 4.769 4.350 0.000 0.000 0.287 466 T C 0.764 175.473 174.700 0.015 0.000 0.970 466 T CA -0.622 61.489 62.100 0.020 0.000 0.980 466 T CB 0.057 68.943 68.868 0.030 0.000 0.924 466 T HN 0.877 nan 8.240 nan 0.000 0.456 467 N N 2.860 121.565 118.700 0.009 0.000 2.081 467 N HA 0.218 4.959 4.740 0.000 0.000 0.230 467 N C -0.382 175.129 175.510 0.002 0.000 1.351 467 N CA -0.384 52.670 53.050 0.006 0.000 0.840 467 N CB 0.771 39.261 38.487 0.006 0.000 1.189 467 N HN 0.369 nan 8.380 nan 0.000 0.503 468 L N 1.269 122.493 121.223 0.001 0.000 2.422 468 L HA 0.647 4.987 4.340 0.000 0.000 0.264 468 L C -1.738 175.131 176.870 -0.002 0.000 0.984 468 L CA -0.706 54.134 54.840 -0.001 0.000 0.819 468 L CB 2.502 44.559 42.059 -0.003 0.000 1.330 468 L HN 0.123 nan 8.230 nan 0.000 0.410 469 M N 5.087 124.685 119.600 -0.002 0.000 2.433 469 M HA 0.505 4.985 4.480 0.000 0.000 0.290 469 M C -2.190 174.110 176.300 0.001 0.000 1.173 469 M CA -0.597 54.702 55.300 -0.001 0.000 0.905 469 M CB 2.200 34.798 32.600 -0.003 0.000 1.692 469 M HN 0.693 nan 8.290 nan 0.000 0.462 470 K N 3.495 123.898 120.400 0.005 0.000 2.525 470 K HA 0.621 4.941 4.320 0.000 0.000 0.254 470 K C -2.208 174.408 176.600 0.027 0.000 0.934 470 K CA -0.685 55.610 56.287 0.014 0.000 0.802 470 K CB 2.554 35.065 32.500 0.019 0.000 1.295 470 K HN 0.613 nan 8.250 nan 0.000 0.433 471 V N 3.704 123.633 119.914 0.025 0.000 2.407 471 V HA 0.328 4.448 4.120 0.000 0.000 0.278 471 V C -0.678 175.451 176.094 0.059 0.000 1.037 471 V CA -0.591 61.725 62.300 0.027 0.000 0.900 471 V CB 0.896 32.717 31.823 -0.004 0.000 0.983 471 V HN 0.831 nan 8.190 nan 0.000 0.459 472 H N 2.944 121.988 119.070 -0.043 0.000 2.689 472 H HA 0.651 5.208 4.556 0.000 0.000 0.346 472 H C -1.027 174.264 175.328 -0.062 0.000 1.037 472 H CA -0.629 55.390 56.048 -0.048 0.000 1.234 472 H CB 1.862 31.604 29.762 -0.035 0.000 1.572 472 H HN 0.455 nan 8.280 nan 0.000 0.524 473 V N 6.867 126.472 119.914 -0.515 0.000 2.583 473 V HA -0.007 4.114 4.120 0.000 0.000 0.287 473 V C 1.241 177.090 176.094 -0.409 0.000 1.051 473 V CA -0.425 61.639 62.300 -0.393 0.000 1.010 473 V CB 0.796 32.344 31.823 -0.458 0.000 0.988 473 V HN 0.819 nan 8.190 nan 0.000 0.478 474 I N 2.587 123.093 120.570 -0.105 0.000 2.277 474 I HA -0.055 4.115 4.170 0.000 0.000 0.243 474 I C 1.804 177.961 176.117 0.067 0.000 1.094 474 I CA 1.082 62.398 61.300 0.028 0.000 1.393 474 I CB -0.758 37.236 38.000 -0.009 0.000 1.078 474 I HN 0.871 nan 8.210 nan 0.000 0.417 475 S N 1.896 117.656 115.700 0.100 0.000 2.542 475 S HA -0.086 4.384 4.470 0.000 0.000 0.287 475 S C 0.100 174.885 174.600 0.308 0.000 1.315 475 S CA -0.268 58.132 58.200 0.332 0.000 1.037 475 S CB 0.276 63.598 63.200 0.202 0.000 0.822 475 S HN 0.203 nan 8.310 nan 0.000 0.513 476 D N 0.782 121.359 120.400 0.295 0.000 2.264 476 D HA 0.263 4.903 4.640 0.000 0.000 0.249 476 D C -0.151 176.264 176.300 0.192 0.000 1.070 476 D CA -0.419 53.700 54.000 0.199 0.000 0.912 476 D CB 1.123 41.983 40.800 0.101 0.000 1.193 476 D HN 0.516 nan 8.370 nan 0.000 0.427 477 L N 2.813 124.105 121.223 0.116 0.000 2.325 477 L HA 0.104 4.444 4.340 0.000 0.000 0.284 477 L C 0.763 177.606 176.870 -0.046 0.000 1.089 477 L CA 0.120 54.928 54.840 -0.052 0.000 0.836 477 L CB 0.204 42.230 42.059 -0.055 0.000 1.184 477 L HN 0.404 nan 8.230 nan 0.000 0.444 478 L N 4.919 126.117 121.223 -0.042 0.000 2.162 478 L HA 0.375 4.715 4.340 0.000 0.000 0.205 478 L C 0.859 177.728 176.870 -0.001 0.000 1.086 478 L CA 0.710 55.554 54.840 0.007 0.000 0.778 478 L CB -0.354 41.796 42.059 0.152 0.000 0.928 478 L HN 0.814 nan 8.230 nan 0.000 0.446 479 A N -0.162 122.674 122.820 0.027 0.000 2.544 479 A HA 0.609 4.929 4.320 0.000 0.000 0.291 479 A C -1.589 175.993 177.584 -0.004 0.000 1.055 479 A CA -0.721 51.338 52.037 0.037 0.000 0.651 479 A CB 1.347 20.433 19.000 0.144 0.000 1.296 479 A HN 0.081 nan 8.150 nan 0.000 0.431 480 K N -0.326 120.077 120.400 0.005 0.000 2.533 480 K HA 0.886 5.206 4.320 0.000 0.000 0.272 480 K C -0.035 176.576 176.600 0.019 0.000 0.985 480 K CA -0.418 55.867 56.287 -0.004 0.000 0.876 480 K CB 2.063 34.554 32.500 -0.015 0.000 1.452 480 K HN 2.065 nan 8.250 nan 0.000 0.439 481 G N 0.349 109.161 108.800 0.020 0.000 2.494 481 G HA2 0.239 4.199 3.960 0.000 0.000 0.308 481 G HA3 0.239 4.199 3.960 0.000 0.000 0.308 481 G C -1.792 173.123 174.900 0.025 0.000 1.263 481 G CA -0.847 44.267 45.100 0.023 0.000 0.840 481 G HN 0.372 nan 8.290 nan 0.000 0.479 482 Q N 0.542 120.354 119.800 0.020 0.000 2.344 482 Q HA 0.524 4.864 4.340 0.000 0.000 0.253 482 Q C 0.571 176.576 176.000 0.009 0.000 1.050 482 Q CA 0.276 56.089 55.803 0.017 0.000 0.912 482 Q CB 1.051 29.796 28.738 0.012 0.000 1.258 482 Q HN 0.801 nan 8.270 nan 0.000 0.443 483 G N 2.930 111.736 108.800 0.010 0.000 2.390 483 G HA2 0.492 4.452 3.960 0.000 0.000 0.270 483 G HA3 0.492 4.452 3.960 0.000 0.000 0.270 483 G C -0.593 174.290 174.900 -0.028 0.000 1.211 483 G CA -0.426 44.670 45.100 -0.007 0.000 0.842 483 G HN 0.493 nan 8.290 nan 0.000 0.519 484 I N 1.654 122.203 120.570 -0.035 0.000 2.404 484 I HA 0.655 4.825 4.170 0.000 0.000 0.293 484 I C 0.886 176.969 176.117 -0.058 0.000 0.992 484 I CA 0.177 61.450 61.300 -0.044 0.000 1.149 484 I CB 0.348 38.325 38.000 -0.037 0.000 1.315 484 I HN 1.008 nan 8.210 nan 0.000 0.446 485 G N 6.166 114.926 108.800 -0.068 0.000 2.627 485 G HA2 -0.202 3.758 3.960 0.000 0.000 0.214 485 G HA3 -0.202 3.758 3.960 0.000 0.000 0.214 485 G C 0.054 174.889 174.900 -0.108 0.000 1.331 485 G CA 0.174 45.229 45.100 -0.075 0.000 0.891 485 G HN 0.907 nan 8.290 nan 0.000 0.539 486 R N -0.635 119.802 120.500 -0.106 0.000 2.509 486 R HA 0.452 4.792 4.340 0.000 0.000 0.297 486 R C 0.797 177.033 176.300 -0.107 0.000 0.951 486 R CA 0.448 56.463 56.100 -0.141 0.000 1.103 486 R CB 0.167 30.376 30.300 -0.152 0.000 1.283 486 R HN 0.573 nan 8.270 nan 0.000 0.534 487 K N 0.560 120.916 120.400 -0.074 0.000 2.419 487 K HA 0.565 4.885 4.320 0.000 0.000 0.246 487 K C -0.407 176.182 176.600 -0.017 0.000 1.037 487 K CA -0.454 55.808 56.287 -0.042 0.000 0.982 487 K CB 1.266 33.743 32.500 -0.039 0.000 1.283 487 K HN 0.237 nan 8.250 nan 0.000 0.500 488 S N -1.057 114.649 115.700 0.011 0.000 2.579 488 S HA 0.833 5.303 4.470 0.000 0.000 0.272 488 S C -1.474 173.152 174.600 0.043 0.000 1.141 488 S CA -0.897 57.334 58.200 0.052 0.000 0.843 488 S CB 2.057 65.319 63.200 0.103 0.000 1.122 488 S HN 0.748 nan 8.310 nan 0.000 0.468 489 A N 0.755 123.611 122.820 0.059 0.000 2.610 489 A HA 0.825 5.145 4.320 0.000 0.000 0.291 489 A C -0.567 177.075 177.584 0.096 0.000 1.086 489 A CA -0.856 51.163 52.037 -0.030 0.000 0.677 489 A CB 0.345 19.263 19.000 -0.138 0.000 1.278 489 A HN 1.398 nan 8.150 nan 0.000 0.414 490 F N 0.211 120.099 119.950 -0.104 0.000 2.171 490 F HA 0.774 5.301 4.527 0.000 0.000 0.220 490 F C 1.212 176.944 175.800 -0.114 0.000 1.118 490 F CA -0.105 57.830 58.000 -0.108 0.000 1.229 490 F CB -0.871 38.020 39.000 -0.181 0.000 1.616 490 F HN 1.822 nan 8.300 nan 0.000 0.477 491 G N 1.154 109.902 108.800 -0.087 0.000 2.806 491 G HA2 -0.190 3.770 3.960 0.000 0.000 0.236 491 G HA3 -0.190 3.770 3.960 0.000 0.000 0.236 491 G C -0.936 174.125 174.900 0.269 0.000 1.387 491 G CA -0.304 44.821 45.100 0.042 0.000 0.884 491 G HN 0.666 nan 8.290 nan 0.000 0.560 492 K N 0.403 120.903 120.400 0.166 0.000 2.172 492 K HA 0.634 4.954 4.320 0.000 0.000 0.276 492 K C 0.703 177.345 176.600 0.070 0.000 1.013 492 K CA 0.044 56.413 56.287 0.137 0.000 0.913 492 K CB 1.661 34.225 32.500 0.107 0.000 1.055 492 K HN 1.011 nan 8.250 nan 0.000 0.461 493 A N 2.093 124.950 122.820 0.061 0.000 2.462 493 A HA 0.280 4.600 4.320 0.000 0.000 0.243 493 A C -0.243 177.361 177.584 0.034 0.000 1.076 493 A CA -0.314 51.739 52.037 0.027 0.000 0.773 493 A CB 0.333 19.362 19.000 0.048 0.000 1.010 493 A HN 0.447 nan 8.150 nan 0.000 0.493 494 V N 4.175 124.100 119.914 0.018 0.000 2.439 494 V HA 0.165 4.285 4.120 0.000 0.000 0.277 494 V C -0.313 175.795 176.094 0.024 0.000 1.008 494 V CA -0.513 61.800 62.300 0.022 0.000 0.846 494 V CB 1.224 33.053 31.823 0.011 0.000 1.031 494 V HN 0.658 nan 8.190 nan 0.000 0.441 495 V N 3.663 123.602 119.914 0.040 0.000 2.446 495 V HA 0.646 4.766 4.120 0.000 0.000 0.276 495 V C 0.683 176.795 176.094 0.030 0.000 1.030 495 V CA 0.287 62.615 62.300 0.046 0.000 1.033 495 V CB 0.952 32.812 31.823 0.062 0.000 0.993 495 V HN 0.951 nan 8.190 nan 0.000 0.477 496 A N 4.734 127.569 122.820 0.025 0.000 2.530 496 A HA 0.522 4.842 4.320 0.000 0.000 0.279 496 A C 0.518 178.111 177.584 0.014 0.000 1.109 496 A CA -0.687 51.360 52.037 0.016 0.000 0.763 496 A CB 0.980 19.986 19.000 0.010 0.000 1.257 496 A HN 0.785 nan 8.150 nan 0.000 0.424 497 K N 0.502 120.910 120.400 0.013 0.000 2.116 497 K HA 0.021 4.341 4.320 0.000 0.000 0.203 497 K C 0.974 177.575 176.600 0.001 0.000 1.052 497 K CA 1.662 57.955 56.287 0.009 0.000 0.952 497 K CB 0.077 32.583 32.500 0.010 0.000 0.729 497 K HN 0.811 nan 8.250 nan 0.000 0.446 498 T N -3.302 111.251 114.554 -0.001 0.000 2.950 498 T HA 0.536 4.886 4.350 0.000 0.000 0.288 498 T C 1.084 175.778 174.700 -0.009 0.000 1.035 498 T CA -0.537 61.559 62.100 -0.007 0.000 1.028 498 T CB 1.950 70.814 68.868 -0.006 0.000 1.109 498 T HN -0.007 nan 8.240 nan 0.000 0.514 499 A N 0.435 123.246 122.820 -0.015 0.000 1.940 499 A HA -0.078 4.242 4.320 0.000 0.000 0.219 499 A C 2.176 179.754 177.584 -0.010 0.000 1.176 499 A CA 2.146 54.173 52.037 -0.016 0.000 0.631 499 A CB -1.102 17.885 19.000 -0.023 0.000 0.814 499 A HN 0.973 nan 8.150 nan 0.000 0.446 500 E N 0.194 120.390 120.200 -0.008 0.000 2.107 500 E HA -0.129 4.221 4.350 0.000 0.000 0.191 500 E C 1.813 178.412 176.600 -0.002 0.000 0.982 500 E CA 1.665 58.062 56.400 -0.005 0.000 0.809 500 E CB -0.266 29.431 29.700 -0.004 0.000 0.756 500 E HN 0.702 nan 8.360 nan 0.000 0.459 501 E N -0.297 119.903 120.200 -0.001 0.000 2.107 501 E HA -0.044 4.306 4.350 0.000 0.000 0.191 501 E C 1.972 178.574 176.600 0.003 0.000 0.982 501 E CA 0.768 57.169 56.400 0.003 0.000 0.809 501 E CB -0.127 29.576 29.700 0.005 0.000 0.756 501 E HN 0.369 nan 8.360 nan 0.000 0.459 502 A N 1.995 124.815 122.820 0.001 0.000 1.877 502 A HA -0.237 4.083 4.320 0.000 0.000 0.216 502 A C 2.131 179.715 177.584 0.000 0.000 1.186 502 A CA 1.878 53.915 52.037 0.001 0.000 0.620 502 A CB -0.574 18.424 19.000 -0.002 0.000 0.822 502 A HN 0.245 nan 8.150 nan 0.000 0.443 503 R N -0.695 119.805 120.500 -0.001 0.000 2.276 503 R HA 0.034 4.374 4.340 0.000 0.000 0.203 503 R C 1.604 177.904 176.300 0.000 0.000 1.017 503 R CA 1.432 57.531 56.100 -0.001 0.000 1.010 503 R CB -0.228 30.070 30.300 -0.003 0.000 0.900 503 R HN 0.596 nan 8.270 nan 0.000 0.469 504 Q N 0.252 120.053 119.800 0.001 0.000 2.396 504 Q HA 0.113 4.453 4.340 0.000 0.000 0.220 504 Q C 1.093 177.096 176.000 0.004 0.000 0.900 504 Q CA 0.635 56.440 55.803 0.002 0.000 0.925 504 Q CB 0.656 29.395 28.738 0.003 0.000 1.065 504 Q HN 0.368 nan 8.270 nan 0.000 0.535 505 K N -0.528 119.875 120.400 0.005 0.000 2.370 505 K HA 0.161 4.481 4.320 0.000 0.000 0.194 505 K C 0.344 176.948 176.600 0.007 0.000 1.070 505 K CA -0.204 56.088 56.287 0.008 0.000 0.998 505 K CB 0.435 32.941 32.500 0.011 0.000 0.911 505 K HN 0.001 nan 8.250 nan 0.000 0.533 506 M N 2.132 121.734 119.600 0.004 0.000 2.246 506 M HA 0.059 4.539 4.480 0.000 0.000 0.350 506 M C -0.692 175.608 176.300 -0.000 0.000 1.406 506 M CA 0.037 55.338 55.300 0.001 0.000 1.089 506 M CB 0.512 33.111 32.600 -0.001 0.000 1.782 506 M HN -0.200 nan 8.290 nan 0.000 0.457 507 V N 3.168 123.081 119.914 -0.001 0.000 3.158 507 V HA 0.412 4.532 4.120 0.000 0.000 0.315 507 V C -0.122 175.965 176.094 -0.011 0.000 1.148 507 V CA -1.207 61.091 62.300 -0.003 0.000 1.042 507 V CB 1.971 33.796 31.823 0.003 0.000 1.101 507 V HN 0.665 nan 8.190 nan 0.000 0.448 508 D N 1.040 121.432 120.400 -0.014 0.000 2.417 508 D HA 0.326 4.966 4.640 0.000 0.000 0.250 508 D C 1.102 177.381 176.300 -0.035 0.000 1.166 508 D CA 1.802 55.787 54.000 -0.024 0.000 0.881 508 D CB 1.184 41.971 40.800 -0.023 0.000 1.164 508 D HN 1.037 nan 8.370 nan 0.000 0.467 509 G N 2.672 111.441 108.800 -0.052 0.000 2.179 509 G HA2 -0.213 3.747 3.960 0.000 0.000 0.260 509 G HA3 -0.213 3.747 3.960 0.000 0.000 0.260 509 G C 0.735 175.593 174.900 -0.070 0.000 0.977 509 G CA 0.146 45.199 45.100 -0.080 0.000 0.641 509 G HN 0.776 nan 8.290 nan 0.000 0.533 510 G N -0.534 108.242 108.800 -0.040 0.000 2.606 510 G HA2 0.501 4.461 3.960 0.000 0.000 0.252 510 G HA3 0.501 4.461 3.960 0.000 0.000 0.252 510 G C -0.018 174.862 174.900 -0.034 0.000 1.206 510 G CA -0.404 44.682 45.100 -0.023 0.000 0.861 510 G HN 0.365 nan 8.290 nan 0.000 0.561 511 I N 1.467 122.022 120.570 -0.026 0.000 2.307 511 I HA 0.160 4.330 4.170 0.000 0.000 0.287 511 I C 0.100 176.189 176.117 -0.047 0.000 1.054 511 I CA -1.291 59.981 61.300 -0.046 0.000 1.218 511 I CB 0.675 38.642 38.000 -0.056 0.000 1.398 511 I HN 0.223 nan 8.210 nan 0.000 0.475 512 L N 8.858 130.057 121.223 -0.040 0.000 2.477 512 L HA 0.234 4.574 4.340 0.000 0.000 0.272 512 L C -0.288 176.560 176.870 -0.037 0.000 1.157 512 L CA 0.490 55.314 54.840 -0.026 0.000 0.889 512 L CB 0.564 42.614 42.059 -0.014 0.000 1.158 512 L HN 0.292 nan 8.230 nan 0.000 0.473 513 V N 5.273 125.175 119.914 -0.021 0.000 2.378 513 V HA 0.703 4.823 4.120 0.000 0.000 0.288 513 V C 0.141 176.249 176.094 0.024 0.000 1.016 513 V CA -0.311 61.983 62.300 -0.009 0.000 0.840 513 V CB 1.139 32.971 31.823 0.015 0.000 0.994 513 V HN 0.925 nan 8.190 nan 0.000 0.431 514 T N 2.496 117.065 114.554 0.026 0.000 2.671 514 T HA 0.450 4.800 4.350 0.000 0.000 0.300 514 T C 0.587 175.306 174.700 0.032 0.000 1.238 514 T CA -0.053 62.064 62.100 0.028 0.000 1.020 514 T CB 1.975 70.853 68.868 0.017 0.000 1.503 514 T HN 0.068 nan 8.240 nan 0.000 0.497 515 V N 1.236 121.165 119.914 0.025 0.000 2.379 515 V HA 0.265 4.385 4.120 0.000 0.000 0.243 515 V C 0.950 177.057 176.094 0.021 0.000 1.035 515 V CA 1.477 63.791 62.300 0.023 0.000 1.035 515 V CB -0.209 31.623 31.823 0.016 0.000 0.673 515 V HN 1.010 nan 8.190 nan 0.000 0.457 516 S N -1.311 114.399 115.700 0.016 0.000 2.578 516 S HA 0.484 4.954 4.470 0.000 0.000 0.272 516 S C -0.594 174.012 174.600 0.011 0.000 1.145 516 S CA -0.190 58.023 58.200 0.021 0.000 0.835 516 S CB 1.812 65.022 63.200 0.017 0.000 1.104 516 S HN 0.409 nan 8.310 nan 0.000 0.458 517 T N -1.046 113.529 114.554 0.034 0.000 2.937 517 T HA 0.881 5.231 4.350 0.000 0.000 0.283 517 T C -1.106 173.470 174.700 -0.207 0.000 1.012 517 T CA -0.315 61.787 62.100 0.002 0.000 0.997 517 T CB 1.274 70.242 68.868 0.166 0.000 1.136 517 T HN 1.015 nan 8.240 nan 0.000 0.551 518 D N -1.320 118.793 120.400 -0.479 0.000 2.692 518 D HA 0.335 4.975 4.640 0.000 0.000 0.290 518 D C 1.121 177.024 176.300 -0.662 0.000 1.281 518 D CA -0.617 52.911 54.000 -0.786 0.000 0.804 518 D CB 1.291 41.900 40.800 -0.318 0.000 1.331 518 D HN 0.671 nan 8.370 nan 0.000 0.432 519 A N 0.332 122.888 122.820 -0.440 0.000 1.997 519 A HA -0.245 4.075 4.320 0.000 0.000 0.221 519 A C 1.397 178.939 177.584 -0.070 0.000 1.172 519 A CA 2.127 54.091 52.037 -0.122 0.000 0.645 519 A CB -0.711 18.264 19.000 -0.043 0.000 0.813 519 A HN 0.563 nan 8.150 nan 0.000 0.454 520 D N -0.906 119.440 120.400 -0.091 0.000 2.348 520 D HA -0.015 4.625 4.640 0.000 0.000 0.216 520 D C 1.620 177.898 176.300 -0.037 0.000 0.970 520 D CA 0.846 54.816 54.000 -0.051 0.000 0.889 520 D CB -0.148 40.622 40.800 -0.050 0.000 0.912 520 D HN 0.566 nan 8.370 nan 0.000 0.524 521 M N -0.722 118.851 119.600 -0.045 0.000 2.441 521 M HA 0.071 4.551 4.480 0.000 0.000 0.244 521 M C 1.466 177.777 176.300 0.017 0.000 1.122 521 M CA -0.089 55.203 55.300 -0.014 0.000 1.041 521 M CB 0.279 32.868 32.600 -0.017 0.000 1.438 521 M HN -0.115 nan 8.290 nan 0.000 0.484 522 M N 0.732 120.352 119.600 0.034 0.000 2.124 522 M HA -0.176 4.304 4.480 0.000 0.000 0.253 522 M C -0.618 175.697 176.300 0.024 0.000 1.077 522 M CA 2.329 57.660 55.300 0.050 0.000 1.085 522 M CB -2.500 30.131 32.600 0.052 0.000 1.320 522 M HN 0.010 nan 8.290 nan 0.000 0.404 523 P HA -0.095 nan 4.420 nan 0.000 0.215 523 P C 1.343 178.644 177.300 0.003 0.000 1.153 523 P CA 2.206 65.309 63.100 0.005 0.000 0.853 523 P CB -0.214 31.487 31.700 0.002 0.000 0.788 524 A N -0.893 121.929 122.820 0.004 0.000 1.930 524 A HA -0.150 4.170 4.320 0.000 0.000 0.217 524 A C 2.201 179.786 177.584 0.001 0.000 1.175 524 A CA 1.293 53.330 52.037 0.001 0.000 0.627 524 A CB -1.586 17.416 19.000 0.002 0.000 0.815 524 A HN 0.102 nan 8.150 nan 0.000 0.443 525 I N -0.253 120.323 120.570 0.010 0.000 2.226 525 I HA -0.234 3.936 4.170 0.000 0.000 0.245 525 I C 1.919 178.034 176.117 -0.003 0.000 1.100 525 I CA 1.360 62.667 61.300 0.011 0.000 1.374 525 I CB -0.375 37.648 38.000 0.037 0.000 1.057 525 I HN 0.388 nan 8.210 nan 0.000 0.413 526 E N 0.674 120.872 120.200 -0.002 0.000 2.526 526 E HA -0.117 4.233 4.350 0.000 0.000 0.198 526 E C 1.294 177.883 176.600 -0.018 0.000 1.091 526 E CA 0.387 56.780 56.400 -0.011 0.000 0.880 526 E CB 0.133 29.828 29.700 -0.007 0.000 0.873 526 E HN 0.484 nan 8.360 nan 0.000 0.527 527 K N -0.360 120.028 120.400 -0.019 0.000 2.450 527 K HA 0.217 4.537 4.320 0.000 0.000 0.206 527 K C 0.378 176.957 176.600 -0.034 0.000 1.148 527 K CA -0.155 56.117 56.287 -0.025 0.000 1.014 527 K CB 1.148 33.638 32.500 -0.018 0.000 0.966 527 K HN -0.073 nan 8.250 nan 0.000 0.566 528 A N 1.000 123.800 122.820 -0.032 0.000 2.407 528 A HA 0.459 4.779 4.320 0.000 0.000 0.248 528 A C 1.027 178.575 177.584 -0.060 0.000 1.082 528 A CA 0.300 52.312 52.037 -0.042 0.000 0.785 528 A CB 0.557 19.538 19.000 -0.032 0.000 1.020 528 A HN 0.288 nan 8.150 nan 0.000 0.489 529 A N 1.193 123.966 122.820 -0.078 0.000 2.095 529 A HA 0.590 4.910 4.320 0.000 0.000 0.212 529 A C 0.993 178.523 177.584 -0.090 0.000 1.162 529 A CA 1.397 53.369 52.037 -0.108 0.000 0.753 529 A CB -0.259 18.643 19.000 -0.163 0.000 0.840 529 A HN 2.330 nan 8.150 nan 0.000 0.468 530 A N -1.284 121.494 122.820 -0.070 0.000 2.566 530 A HA 0.668 4.988 4.320 0.000 0.000 0.290 530 A C -1.561 175.991 177.584 -0.053 0.000 1.071 530 A CA -0.450 51.551 52.037 -0.059 0.000 0.658 530 A CB 0.425 19.391 19.000 -0.057 0.000 1.285 530 A HN 0.273 nan 8.150 nan 0.000 0.427 531 I N 0.651 121.192 120.570 -0.049 0.000 2.619 531 I HA 0.499 4.669 4.170 0.000 0.000 0.292 531 I C -1.069 175.017 176.117 -0.051 0.000 1.100 531 I CA -0.380 60.894 61.300 -0.043 0.000 1.043 531 I CB 2.049 40.037 38.000 -0.021 0.000 1.239 531 I HN 0.500 nan 8.210 nan 0.000 0.420 532 I N 4.577 125.110 120.570 -0.060 0.000 2.436 532 I HA 0.440 4.610 4.170 0.000 0.000 0.289 532 I C -0.276 175.833 176.117 -0.013 0.000 1.010 532 I CA -0.418 60.846 61.300 -0.061 0.000 1.098 532 I CB 2.290 40.202 38.000 -0.147 0.000 1.266 532 I HN 0.587 nan 8.210 nan 0.000 0.434 533 T N 0.661 115.219 114.554 0.008 0.000 2.900 533 T HA 0.401 4.751 4.350 0.000 0.000 0.295 533 T C 0.398 175.119 174.700 0.036 0.000 1.044 533 T CA -0.751 61.364 62.100 0.025 0.000 0.995 533 T CB 2.339 71.222 68.868 0.025 0.000 1.072 533 T HN 0.604 nan 8.240 nan 0.000 0.473 534 E N 0.739 120.964 120.200 0.041 0.000 2.112 534 E HA -0.007 4.343 4.350 0.000 0.000 0.190 534 E C 0.894 177.512 176.600 0.030 0.000 0.979 534 E CA 0.592 57.017 56.400 0.042 0.000 0.814 534 E CB 0.194 29.918 29.700 0.040 0.000 0.762 534 E HN 0.737 nan 8.360 nan 0.000 0.460 535 E N 0.592 120.807 120.200 0.026 0.000 4.337 535 E HA 0.220 4.570 4.350 0.000 0.000 0.516 535 E C 0.499 177.111 176.600 0.022 0.000 0.822 535 E CA 0.722 57.135 56.400 0.021 0.000 3.237 535 E CB -0.416 29.296 29.700 0.019 0.000 2.124 535 E HN 0.105 nan 8.360 nan 0.000 0.580 536 G N -1.413 107.400 108.800 0.022 0.000 3.070 536 G HA2 0.079 4.039 3.960 0.000 0.000 0.474 536 G HA3 0.079 4.039 3.960 0.000 0.000 0.474 536 G C 0.304 175.214 174.900 0.017 0.000 1.537 536 G CA 0.009 45.122 45.100 0.022 0.000 1.041 536 G HN 0.713 nan 8.290 nan 0.000 0.562 537 G N -2.093 106.715 108.800 0.015 0.000 3.211 537 G HA2 0.649 4.609 3.960 0.000 0.000 0.262 537 G HA3 0.649 4.609 3.960 0.000 0.000 0.262 537 G C 0.764 175.667 174.900 0.005 0.000 1.352 537 G CA -0.198 44.908 45.100 0.010 0.000 1.004 537 G HN 0.851 nan 8.290 nan 0.000 0.559 538 L N 0.532 121.756 121.223 0.002 0.000 2.353 538 L HA 0.062 4.402 4.340 0.000 0.000 0.220 538 L C 2.567 179.431 176.870 -0.009 0.000 1.133 538 L CA 2.171 57.008 54.840 -0.005 0.000 0.798 538 L CB -0.768 41.288 42.059 -0.005 0.000 0.922 538 L HN 0.698 nan 8.230 nan 0.000 0.445 539 T N -5.179 109.373 114.554 -0.004 0.000 3.252 539 T HA 0.233 4.583 4.350 0.000 0.000 0.286 539 T C 0.708 175.408 174.700 0.000 0.000 1.013 539 T CA 0.080 62.175 62.100 -0.008 0.000 0.914 539 T CB -0.211 68.654 68.868 -0.005 0.000 1.131 539 T HN 0.205 nan 8.240 nan 0.000 0.529 540 S N 0.339 116.045 115.700 0.009 0.000 2.617 540 S HA 0.138 4.608 4.470 0.000 0.000 0.259 540 S C 1.197 175.821 174.600 0.041 0.000 1.301 540 S CA -0.472 57.748 58.200 0.035 0.000 0.984 540 S CB 0.313 63.537 63.200 0.039 0.000 0.954 540 S HN 0.407 nan 8.310 nan 0.000 0.572 541 H N 0.866 119.932 119.070 -0.007 0.000 2.387 541 H HA -0.099 4.457 4.556 0.000 0.000 0.299 541 H C 2.156 177.477 175.328 -0.011 0.000 1.090 541 H CA 1.957 58.000 56.048 -0.008 0.000 1.332 541 H CB -0.698 29.060 29.762 -0.007 0.000 1.386 541 H HN 0.776 nan 8.280 nan 0.000 0.516 542 A N 0.949 123.818 122.820 0.082 0.000 1.898 542 A HA -0.042 4.278 4.320 0.000 0.000 0.216 542 A C 2.723 180.280 177.584 -0.045 0.000 1.181 542 A CA 1.663 53.718 52.037 0.030 0.000 0.620 542 A CB -0.941 18.089 19.000 0.050 0.000 0.819 542 A HN 0.550 nan 8.150 nan 0.000 0.442 543 A N -0.473 122.323 122.820 -0.040 0.000 1.873 543 A HA 0.036 4.356 4.320 0.000 0.000 0.215 543 A C 2.226 179.763 177.584 -0.077 0.000 1.186 543 A CA 1.714 53.722 52.037 -0.048 0.000 0.616 543 A CB -1.006 17.976 19.000 -0.031 0.000 0.823 543 A HN 0.388 nan 8.150 nan 0.000 0.442 544 V N -0.184 119.668 119.914 -0.104 0.000 2.255 544 V HA -0.260 3.861 4.120 0.000 0.000 0.247 544 V C 2.558 178.561 176.094 -0.151 0.000 1.051 544 V CA 2.112 64.339 62.300 -0.123 0.000 1.018 544 V CB -1.015 30.723 31.823 -0.142 0.000 0.641 544 V HN 0.355 nan 8.190 nan 0.000 0.445 545 V N 1.007 120.782 119.914 -0.231 0.000 2.392 545 V HA -0.209 3.911 4.120 0.000 0.000 0.249 545 V C 2.615 178.643 176.094 -0.111 0.000 1.059 545 V CA 2.207 64.386 62.300 -0.201 0.000 1.051 545 V CB -1.427 30.244 31.823 -0.253 0.000 0.658 545 V HN 0.632 nan 8.190 nan 0.000 0.455 546 G N -0.494 108.251 108.800 -0.092 0.000 2.408 546 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 546 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 546 G C 1.579 176.442 174.900 -0.062 0.000 1.150 546 G CA 0.776 45.837 45.100 -0.066 0.000 0.776 546 G HN 0.458 nan 8.290 nan 0.000 0.542 547 L N 1.391 122.575 121.223 -0.066 0.000 2.027 547 L HA -0.108 4.232 4.340 0.000 0.000 0.206 547 L C 3.351 180.189 176.870 -0.055 0.000 1.074 547 L CA 1.637 56.443 54.840 -0.057 0.000 0.745 547 L CB -0.482 41.544 42.059 -0.055 0.000 0.898 547 L HN 0.447 nan 8.230 nan 0.000 0.433 548 S N -0.239 115.425 115.700 -0.061 0.000 2.402 548 S HA -0.107 4.363 4.470 0.000 0.000 0.229 548 S C 1.811 176.382 174.600 -0.048 0.000 1.021 548 S CA 0.824 58.991 58.200 -0.054 0.000 0.974 548 S CB -0.450 62.714 63.200 -0.060 0.000 0.800 548 S HN 0.389 nan 8.310 nan 0.000 0.484 549 L N 0.860 122.052 121.223 -0.051 0.000 2.567 549 L HA 0.311 4.651 4.340 0.000 0.000 0.225 549 L C 1.692 178.535 176.870 -0.044 0.000 1.119 549 L CA 0.332 55.145 54.840 -0.045 0.000 0.871 549 L CB -0.608 41.425 42.059 -0.044 0.000 1.036 549 L HN 0.603 nan 8.230 nan 0.000 0.459 550 G N 2.055 110.827 108.800 -0.047 0.000 2.198 550 G HA2 -0.281 3.679 3.960 0.000 0.000 0.257 550 G HA3 -0.281 3.679 3.960 0.000 0.000 0.257 550 G C 0.126 174.996 174.900 -0.050 0.000 1.042 550 G CA 0.579 45.652 45.100 -0.046 0.000 0.791 550 G HN 0.486 nan 8.290 nan 0.000 0.502 551 I N -2.916 117.623 120.570 -0.051 0.000 2.603 551 I HA 0.780 4.950 4.170 0.000 0.000 0.300 551 I C -2.411 173.676 176.117 -0.050 0.000 1.017 551 I CA -3.391 57.877 61.300 -0.054 0.000 1.098 551 I CB 2.057 40.023 38.000 -0.056 0.000 1.279 551 I HN -0.139 nan 8.210 nan 0.000 0.437 552 P HA 0.222 nan 4.420 nan 0.000 0.269 552 P C -0.975 176.301 177.300 -0.040 0.000 1.209 552 P CA -0.127 62.949 63.100 -0.040 0.000 0.776 552 P CB 0.886 32.569 31.700 -0.027 0.000 0.876 553 V N 3.575 123.467 119.914 -0.036 0.000 2.851 553 V HA 0.394 4.514 4.120 0.000 0.000 0.307 553 V C -0.721 175.357 176.094 -0.026 0.000 1.129 553 V CA -0.525 61.755 62.300 -0.033 0.000 0.932 553 V CB 2.235 34.038 31.823 -0.033 0.000 1.024 553 V HN 0.370 nan 8.190 nan 0.000 0.426 554 I N 5.269 125.824 120.570 -0.025 0.000 2.418 554 I HA 0.721 4.891 4.170 0.000 0.000 0.287 554 I C -0.627 175.487 176.117 -0.006 0.000 1.008 554 I CA -0.308 60.984 61.300 -0.014 0.000 1.104 554 I CB 1.698 39.688 38.000 -0.016 0.000 1.264 554 I HN 0.362 nan 8.210 nan 0.000 0.438 555 V N 6.761 126.677 119.914 0.003 0.000 2.732 555 V HA 0.715 4.835 4.120 0.000 0.000 0.310 555 V C 0.857 176.962 176.094 0.018 0.000 1.053 555 V CA 0.192 62.498 62.300 0.010 0.000 0.957 555 V CB 1.519 33.346 31.823 0.007 0.000 1.018 555 V HN 1.009 nan 8.190 nan 0.000 0.452 556 G N 3.178 111.991 108.800 0.022 0.000 2.225 556 G HA2 -0.170 3.790 3.960 0.000 0.000 0.264 556 G HA3 -0.170 3.790 3.960 0.000 0.000 0.264 556 G C -0.160 174.760 174.900 0.033 0.000 1.060 556 G CA 0.127 45.242 45.100 0.025 0.000 0.833 556 G HN 0.818 nan 8.290 nan 0.000 0.498 557 V N 0.748 120.690 119.914 0.047 0.000 2.322 557 V HA 0.264 4.384 4.120 0.000 0.000 0.258 557 V C 1.621 177.757 176.094 0.069 0.000 1.074 557 V CA 0.526 62.869 62.300 0.073 0.000 0.909 557 V CB 0.908 32.804 31.823 0.121 0.000 1.090 557 V HN 0.637 nan 8.190 nan 0.000 0.486 558 E N 4.591 124.817 120.200 0.042 0.000 2.241 558 E HA -0.326 4.024 4.350 0.000 0.000 0.244 558 E C 0.848 177.461 176.600 0.022 0.000 1.070 558 E CA 2.897 59.311 56.400 0.024 0.000 0.998 558 E CB 0.038 29.742 29.700 0.007 0.000 0.879 558 E HN 0.861 nan 8.360 nan 0.000 0.501 559 N N -0.934 117.772 118.700 0.010 0.000 2.338 559 N HA 0.309 5.049 4.740 0.000 0.000 0.251 559 N C 0.444 175.965 175.510 0.018 0.000 1.199 559 N CA 0.346 53.395 53.050 -0.001 0.000 0.879 559 N CB 1.120 39.585 38.487 -0.038 0.000 1.159 559 N HN 0.300 nan 8.380 nan 0.000 0.514 560 A N 0.283 123.165 122.820 0.102 0.000 1.944 560 A HA -0.325 3.995 4.320 0.000 0.000 0.222 560 A C 2.235 179.979 177.584 0.267 0.000 1.237 560 A CA 2.482 54.689 52.037 0.284 0.000 0.668 560 A CB -1.159 17.995 19.000 0.256 0.000 0.830 560 A HN 0.368 nan 8.150 nan 0.000 0.471 561 T N -2.740 111.895 114.554 0.135 0.000 3.163 561 T HA 0.036 4.386 4.350 0.000 0.000 0.260 561 T C 1.450 176.187 174.700 0.062 0.000 1.156 561 T CA 2.019 64.180 62.100 0.102 0.000 1.072 561 T CB -0.317 68.588 68.868 0.062 0.000 0.937 561 T HN 0.613 nan 8.240 nan 0.000 0.528 562 T N -0.278 114.291 114.554 0.025 0.000 2.964 562 T HA 0.194 4.544 4.350 0.000 0.000 0.250 562 T C 1.470 176.126 174.700 -0.074 0.000 0.982 562 T CA 0.287 62.378 62.100 -0.015 0.000 0.959 562 T CB -0.060 68.796 68.868 -0.021 0.000 1.141 562 T HN 0.375 nan 8.240 nan 0.000 0.494 563 L N -0.921 120.201 121.223 -0.169 0.000 2.418 563 L HA 0.559 4.899 4.340 0.000 0.000 0.218 563 L C 0.113 176.685 176.870 -0.497 0.000 1.125 563 L CA 0.384 55.008 54.840 -0.358 0.000 0.835 563 L CB -0.742 41.016 42.059 -0.502 0.000 0.953 563 L HN 0.064 nan 8.230 nan 0.000 0.454 564 F N 1.465 121.411 119.950 -0.006 0.000 2.443 564 F HA 0.590 5.117 4.527 0.000 0.000 0.335 564 F C 0.489 176.289 175.800 0.001 0.000 1.104 564 F CA -0.908 57.091 58.000 -0.003 0.000 1.013 564 F CB 1.365 40.367 39.000 0.002 0.000 1.136 564 F HN -0.085 nan 8.300 nan 0.000 0.470 565 K N 0.860 121.366 120.400 0.177 0.000 2.350 565 K HA 0.446 4.766 4.320 0.000 0.000 0.241 565 K C -1.338 175.320 176.600 0.096 0.000 0.994 565 K CA -1.113 55.235 56.287 0.101 0.000 0.839 565 K CB 1.460 33.992 32.500 0.052 0.000 1.244 565 K HN 0.341 nan 8.250 nan 0.000 0.443 566 D N 0.510 120.950 120.400 0.066 0.000 2.525 566 D HA 0.064 4.704 4.640 0.000 0.000 0.235 566 D C 1.077 177.408 176.300 0.052 0.000 1.137 566 D CA 2.190 56.222 54.000 0.054 0.000 0.868 566 D CB 0.813 41.636 40.800 0.039 0.000 1.180 566 D HN 0.910 nan 8.370 nan 0.000 0.465 567 G N 2.351 111.183 108.800 0.053 0.000 2.179 567 G HA2 -0.322 3.638 3.960 0.000 0.000 0.260 567 G HA3 -0.322 3.638 3.960 0.000 0.000 0.260 567 G C 0.420 175.355 174.900 0.059 0.000 0.977 567 G CA 0.365 45.497 45.100 0.053 0.000 0.641 567 G HN 0.618 nan 8.290 nan 0.000 0.533 568 Q N 1.064 120.908 119.800 0.074 0.000 2.296 568 Q HA 0.322 4.662 4.340 0.000 0.000 0.262 568 Q C -0.160 175.891 176.000 0.085 0.000 0.981 568 Q CA -0.264 55.586 55.803 0.079 0.000 0.905 568 Q CB 0.325 29.141 28.738 0.130 0.000 1.186 568 Q HN 0.410 nan 8.270 nan 0.000 0.399 569 E N 5.635 125.858 120.200 0.038 0.000 2.217 569 E HA 0.191 4.541 4.350 0.000 0.000 0.279 569 E C -0.060 176.585 176.600 0.075 0.000 1.068 569 E CA 0.106 56.519 56.400 0.022 0.000 0.882 569 E CB 0.206 29.718 29.700 -0.313 0.000 1.039 569 E HN 0.529 nan 8.360 nan 0.000 0.418 570 I N -1.425 119.269 120.570 0.206 0.000 3.174 570 I HA 0.563 4.733 4.170 0.000 0.000 0.313 570 I C -0.570 175.710 176.117 0.271 0.000 1.155 570 I CA -0.978 60.428 61.300 0.177 0.000 0.977 570 I CB 2.616 40.647 38.000 0.051 0.000 1.248 570 I HN -0.024 nan 8.210 nan 0.000 0.453 571 T N 2.357 117.051 114.554 0.233 0.000 2.841 571 T HA 0.522 4.872 4.350 0.000 0.000 0.285 571 T C -0.608 174.208 174.700 0.194 0.000 0.991 571 T CA -0.434 61.829 62.100 0.272 0.000 0.966 571 T CB 1.890 70.931 68.868 0.290 0.000 0.962 571 T HN 0.407 nan 8.240 nan 0.000 0.438 572 V N 3.376 123.369 119.914 0.132 0.000 2.350 572 V HA 0.332 4.452 4.120 0.000 0.000 0.276 572 V C -0.173 175.984 176.094 0.104 0.000 1.028 572 V CA -0.705 61.634 62.300 0.065 0.000 0.860 572 V CB 1.395 33.211 31.823 -0.011 0.000 0.990 572 V HN 0.831 nan 8.190 nan 0.000 0.453 573 D N 4.138 124.618 120.400 0.135 0.000 2.467 573 D HA 0.355 4.995 4.640 0.000 0.000 0.220 573 D C 1.213 177.558 176.300 0.075 0.000 1.103 573 D CA 0.230 54.326 54.000 0.160 0.000 0.886 573 D CB 1.502 42.494 40.800 0.320 0.000 1.025 573 D HN 0.503 nan 8.370 nan 0.000 0.514 574 G N 2.941 111.750 108.800 0.016 0.000 2.459 574 G HA2 -0.093 3.867 3.960 0.000 0.000 0.217 574 G HA3 -0.093 3.867 3.960 0.000 0.000 0.217 574 G C 0.881 175.730 174.900 -0.084 0.000 1.183 574 G CA 0.519 45.599 45.100 -0.033 0.000 0.776 574 G HN 0.572 nan 8.290 nan 0.000 0.552 575 G N -2.112 106.577 108.800 -0.186 0.000 2.442 575 G HA2 0.421 4.381 3.960 0.000 0.000 0.249 575 G HA3 0.421 4.381 3.960 0.000 0.000 0.249 575 G C 0.325 174.984 174.900 -0.402 0.000 1.263 575 G CA 0.033 44.856 45.100 -0.461 0.000 0.846 575 G HN 0.550 nan 8.290 nan 0.000 0.555 576 F N 0.342 120.311 119.950 0.031 0.000 2.511 576 F HA -0.284 4.243 4.527 0.000 0.000 0.625 576 F C 1.919 177.736 175.800 0.028 0.000 0.499 576 F CA 1.146 59.169 58.000 0.038 0.000 1.029 576 F CB -1.376 37.662 39.000 0.064 0.000 1.823 576 F HN 1.505 nan 8.300 nan 0.000 0.261 577 G N 1.644 110.535 108.800 0.152 0.000 2.415 577 G HA2 0.301 4.261 3.960 0.000 0.000 0.283 577 G HA3 0.301 4.261 3.960 0.000 0.000 0.283 577 G C -0.389 174.546 174.900 0.058 0.000 1.014 577 G CA 0.274 45.421 45.100 0.079 0.000 1.323 577 G HN 1.604 nan 8.290 nan 0.000 0.502 578 A N 0.311 123.152 122.820 0.036 0.000 2.572 578 A HA 0.930 5.250 4.320 0.000 0.000 0.295 578 A C -0.418 177.046 177.584 -0.200 0.000 1.072 578 A CA -0.331 51.632 52.037 -0.124 0.000 0.691 578 A CB 2.178 21.038 19.000 -0.233 0.000 1.291 578 A HN 1.536 nan 8.150 nan 0.000 0.404 579 V N 1.284 121.025 119.914 -0.287 0.000 2.513 579 V HA 0.567 4.687 4.120 0.000 0.000 0.299 579 V C -1.159 174.742 176.094 -0.322 0.000 1.035 579 V CA -0.334 61.861 62.300 -0.177 0.000 0.889 579 V CB 1.084 32.883 31.823 -0.040 0.000 0.988 579 V HN 0.788 nan 8.190 nan 0.000 0.440 580 Y N 2.067 122.414 120.300 0.078 0.000 2.524 580 Y HA 0.591 5.141 4.550 0.000 0.000 0.344 580 Y C 0.400 176.331 175.900 0.052 0.000 1.012 580 Y CA -0.897 57.242 58.100 0.064 0.000 1.068 580 Y CB 1.537 40.026 38.460 0.047 0.000 1.249 580 Y HN 0.524 nan 8.280 nan 0.000 0.468 581 R N 1.406 122.003 120.500 0.162 0.000 2.438 581 R HA 0.507 4.847 4.340 0.000 0.000 0.287 581 R C 0.316 176.614 176.300 -0.003 0.000 1.077 581 R CA 0.738 56.838 56.100 -0.001 0.000 1.034 581 R CB 0.072 30.227 30.300 -0.242 0.000 0.993 581 R HN 0.989 nan 8.270 nan 0.000 0.459 582 G N 2.075 110.857 108.800 -0.030 0.000 2.760 582 G HA2 -0.224 3.736 3.960 0.000 0.000 0.246 582 G HA3 -0.224 3.736 3.960 0.000 0.000 0.246 582 G C -1.347 173.547 174.900 -0.010 0.000 1.359 582 G CA -0.651 44.401 45.100 -0.081 0.000 0.861 582 G HN 0.760 nan 8.290 nan 0.000 0.541 583 H N 0.158 119.119 119.070 -0.182 0.000 2.594 583 H HA 0.662 5.218 4.556 0.000 0.000 0.304 583 H C 0.663 175.658 175.328 -0.555 0.000 1.068 583 H CA 0.079 55.794 56.048 -0.555 0.000 1.308 583 H CB 1.058 30.271 29.762 -0.914 0.000 1.409 583 H HN 1.085 nan 8.280 nan 0.000 0.460 584 A N 2.563 125.192 122.820 -0.319 0.000 2.293 584 A HA 0.318 4.638 4.320 0.000 0.000 0.312 584 A C 1.187 178.675 177.584 -0.160 0.000 1.309 584 A CA -0.399 51.512 52.037 -0.210 0.000 0.839 584 A CB 0.382 19.294 19.000 -0.147 0.000 1.155 584 A HN 0.728 nan 8.150 nan 0.000 0.501 585 S N 1.494 117.100 115.700 -0.156 0.000 2.453 585 S HA 0.079 4.549 4.470 0.000 0.000 0.231 585 S C 0.480 175.118 174.600 0.064 0.000 1.005 585 S CA 0.850 59.086 58.200 0.061 0.000 0.949 585 S CB -0.302 62.933 63.200 0.059 0.000 0.774 585 S HN 0.586 nan 8.310 nan 0.000 0.510 586 V N 1.528 121.442 119.914 0.000 0.000 2.638 586 V HA 0.618 4.738 4.120 0.000 0.000 0.306 586 V C -0.461 175.616 176.094 -0.029 0.000 1.052 586 V CA -0.750 61.550 62.300 0.000 0.000 0.885 586 V CB 1.704 33.519 31.823 -0.012 0.000 0.999 586 V HN 0.379 nan 8.190 nan 0.000 0.424 587 L N 0.000 121.225 121.223 0.004 0.000 2.949 587 L HA 0.000 4.340 4.340 0.000 0.000 0.249 587 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 587 L CB 0.000 42.075 42.059 0.028 0.000 0.961 587 L HN 0.000 nan 8.230 nan 0.000 0.502