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 3h1c_1_K DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP 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 0.000 176.306 176.300 0.009 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.603 32.600 0.006 0.000 1.302 2 L N 3.847 125.075 121.223 0.009 0.000 2.319 2 L HA 0.376 4.715 4.340 -0.000 0.000 0.280 2 L C -0.863 176.015 176.870 0.014 0.000 1.099 2 L CA -0.177 54.671 54.840 0.013 0.000 0.828 2 L CB 0.604 42.670 42.059 0.011 0.000 1.150 2 L HN 0.324 nan 8.230 nan 0.000 0.442 3 N N 4.754 123.465 118.700 0.017 0.000 2.448 3 N HA 0.438 5.178 4.740 -0.000 0.000 0.279 3 N C -2.521 173.004 175.510 0.024 0.000 1.025 3 N CA -1.006 52.055 53.050 0.018 0.000 0.898 3 N CB 2.186 40.683 38.487 0.017 0.000 1.303 3 N HN 0.352 nan 8.380 nan 0.000 0.495 4 P HA 0.446 nan 4.420 nan 0.000 0.282 4 P C -0.623 176.696 177.300 0.032 0.000 1.259 4 P CA -0.526 62.593 63.100 0.032 0.000 0.826 4 P CB 1.516 33.235 31.700 0.033 0.000 1.064 5 I N 1.685 122.277 120.570 0.036 0.000 2.359 5 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 5 I C 0.141 176.283 176.117 0.041 0.000 1.018 5 I CA -0.892 60.429 61.300 0.034 0.000 1.173 5 I CB 1.021 39.039 38.000 0.030 0.000 1.326 5 I HN 0.079 nan 8.210 nan 0.000 0.462 6 V N 8.112 128.051 119.914 0.042 0.000 2.513 6 V HA 0.621 4.741 4.120 -0.000 0.000 0.299 6 V C -0.430 175.701 176.094 0.061 0.000 1.035 6 V CA -0.595 61.736 62.300 0.051 0.000 0.889 6 V CB 2.569 34.419 31.823 0.044 0.000 0.988 6 V HN 0.864 nan 8.190 nan 0.000 0.440 7 R N 4.918 125.469 120.500 0.086 0.000 2.538 7 R HA 0.565 4.905 4.340 -0.000 0.000 0.292 7 R C -1.313 175.090 176.300 0.171 0.000 1.008 7 R CA -0.698 55.475 56.100 0.122 0.000 0.896 7 R CB 1.617 31.993 30.300 0.127 0.000 1.187 7 R HN 0.734 nan 8.270 nan 0.000 0.440 8 K N 4.928 125.422 120.400 0.158 0.000 2.323 8 K HA 0.397 4.717 4.320 -0.000 0.000 0.259 8 K C -1.295 175.433 176.600 0.213 0.000 0.947 8 K CA -0.617 55.742 56.287 0.120 0.000 0.819 8 K CB 1.436 33.968 32.500 0.054 0.000 1.109 8 K HN 0.411 nan 8.250 nan 0.000 0.429 9 F N -0.986 118.986 119.950 0.035 0.000 2.601 9 F HA 0.365 4.892 4.527 0.000 0.000 0.309 9 F C -0.709 175.135 175.800 0.074 0.000 1.089 9 F CA -1.269 56.755 58.000 0.040 0.000 0.940 9 F CB 1.210 40.222 39.000 0.021 0.000 1.273 9 F HN 0.151 nan 8.300 nan 0.000 0.450 10 Q N 2.742 122.645 119.800 0.172 0.000 2.296 10 Q HA 0.159 4.499 4.340 -0.000 0.000 0.262 10 Q C -1.714 174.436 176.000 0.250 0.000 0.981 10 Q CA -0.022 55.848 55.803 0.112 0.000 0.905 10 Q CB 1.590 30.385 28.738 0.094 0.000 1.186 10 Q HN 0.831 nan 8.270 nan 0.000 0.399 11 Y N 1.869 122.177 120.300 0.013 0.000 2.373 11 Y HA 0.418 4.968 4.550 -0.000 0.000 0.327 11 Y C 0.573 176.518 175.900 0.075 0.000 1.036 11 Y CA 0.299 58.445 58.100 0.077 0.000 1.265 11 Y CB 0.478 38.987 38.460 0.082 0.000 1.108 11 Y HN 0.836 nan 8.280 nan 0.000 0.471 12 G N 4.319 113.003 108.800 -0.192 0.000 2.720 12 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.293 12 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.293 12 G C 0.459 175.273 174.900 -0.144 0.000 1.256 12 G CA 0.640 45.602 45.100 -0.230 0.000 0.974 12 G HN 0.516 nan 8.290 nan 0.000 0.551 13 Q N 1.596 121.260 119.800 -0.227 0.000 2.139 13 Q HA 0.233 4.573 4.340 -0.000 0.000 0.219 13 Q C 0.193 175.880 176.000 -0.522 0.000 0.805 13 Q CA 0.230 55.820 55.803 -0.355 0.000 1.024 13 Q CB 0.736 29.230 28.738 -0.408 0.000 1.163 13 Q HN 0.810 nan 8.270 nan 0.000 0.485 14 H N -0.476 118.550 119.070 -0.073 0.000 2.771 14 H HA 0.444 5.000 4.556 -0.000 0.000 0.367 14 H C -0.427 174.862 175.328 -0.065 0.000 1.172 14 H CA -0.501 55.512 56.048 -0.058 0.000 1.186 14 H CB 1.751 31.481 29.762 -0.053 0.000 1.790 14 H HN -0.224 nan 8.280 nan 0.000 0.556 15 T N 2.166 116.749 114.554 0.048 0.000 2.947 15 T HA 0.227 4.577 4.350 -0.000 0.000 0.337 15 T C 0.271 174.881 174.700 -0.150 0.000 1.139 15 T CA -0.612 61.451 62.100 -0.062 0.000 0.992 15 T CB 0.187 69.034 68.868 -0.035 0.000 1.043 15 T HN 0.198 nan 8.240 nan 0.000 0.498 16 V N 4.177 123.865 119.914 -0.378 0.000 2.521 16 V HA 0.297 4.417 4.120 -0.000 0.000 0.286 16 V C 0.667 176.522 176.094 -0.398 0.000 1.034 16 V CA -0.174 61.837 62.300 -0.481 0.000 1.045 16 V CB 0.617 31.928 31.823 -0.853 0.000 0.974 16 V HN 0.857 nan 8.190 nan 0.000 0.480 17 T N 6.924 121.390 114.554 -0.148 0.000 2.812 17 T HA 0.683 5.033 4.350 -0.000 0.000 0.282 17 T C -0.503 174.218 174.700 0.035 0.000 0.990 17 T CA -0.390 61.693 62.100 -0.029 0.000 0.960 17 T CB 1.020 69.885 68.868 -0.006 0.000 0.948 17 T HN 0.407 nan 8.240 nan 0.000 0.438 18 L N 2.847 124.124 121.223 0.091 0.000 2.349 18 L HA 0.631 4.971 4.340 -0.000 0.000 0.278 18 L C -0.011 176.908 176.870 0.082 0.000 0.996 18 L CA -0.739 54.160 54.840 0.098 0.000 0.825 18 L CB 1.881 44.021 42.059 0.136 0.000 1.243 18 L HN 0.592 nan 8.230 nan 0.000 0.412 19 E N 2.031 122.278 120.200 0.078 0.000 2.210 19 E HA 0.606 4.956 4.350 -0.000 0.000 0.266 19 E C -1.419 175.230 176.600 0.081 0.000 0.883 19 E CA -0.354 56.091 56.400 0.075 0.000 0.761 19 E CB 2.463 32.209 29.700 0.076 0.000 1.156 19 E HN 0.521 nan 8.360 nan 0.000 0.412 20 T N 1.807 116.400 114.554 0.066 0.000 2.916 20 T HA 0.631 4.981 4.350 -0.000 0.000 0.305 20 T C 0.300 175.034 174.700 0.058 0.000 1.119 20 T CA 0.557 62.695 62.100 0.063 0.000 1.008 20 T CB 1.369 70.258 68.868 0.036 0.000 1.129 20 T HN 0.745 nan 8.240 nan 0.000 0.480 21 G N 2.905 111.743 108.800 0.064 0.000 2.391 21 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.204 21 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.204 21 G C 0.889 175.823 174.900 0.057 0.000 1.012 21 G CA 0.692 45.825 45.100 0.053 0.000 0.651 21 G HN 0.734 nan 8.290 nan 0.000 0.494 22 M N 0.324 119.963 119.600 0.065 0.000 2.369 22 M HA 0.534 5.014 4.480 -0.000 0.000 0.254 22 M C 1.215 177.555 176.300 0.067 0.000 1.136 22 M CA 0.707 56.039 55.300 0.054 0.000 1.190 22 M CB 0.139 32.763 32.600 0.040 0.000 1.289 22 M HN 0.241 nan 8.290 nan 0.000 0.468 23 M N 1.334 120.995 119.600 0.101 0.000 2.211 23 M HA 0.264 4.744 4.480 -0.000 0.000 0.356 23 M C 0.338 176.780 176.300 0.237 0.000 1.216 23 M CA 0.020 55.395 55.300 0.125 0.000 1.134 23 M CB 0.863 33.500 32.600 0.061 0.000 1.564 23 M HN 0.485 nan 8.290 nan 0.000 0.463 24 A N 2.974 125.913 122.820 0.199 0.000 2.183 24 A HA -0.208 4.112 4.320 -0.000 0.000 0.278 24 A C 0.815 178.473 177.584 0.123 0.000 1.404 24 A CA 0.746 52.897 52.037 0.191 0.000 0.737 24 A CB -1.074 18.107 19.000 0.302 0.000 1.172 24 A HN 1.023 nan 8.150 nan 0.000 0.338 25 R N -0.072 120.480 120.500 0.086 0.000 2.200 25 R HA -0.055 4.285 4.340 -0.000 0.000 0.208 25 R C 2.132 178.466 176.300 0.058 0.000 1.033 25 R CA 1.340 57.479 56.100 0.065 0.000 1.000 25 R CB 0.005 30.336 30.300 0.051 0.000 0.906 25 R HN 0.815 nan 8.270 nan 0.000 0.462 26 Q N 0.740 120.575 119.800 0.058 0.000 2.172 26 Q HA 0.067 4.407 4.340 -0.000 0.000 0.200 26 Q C 0.272 176.306 176.000 0.056 0.000 0.964 26 Q CA 0.816 56.650 55.803 0.052 0.000 0.855 26 Q CB 0.222 28.989 28.738 0.048 0.000 0.918 26 Q HN 0.287 nan 8.270 nan 0.000 0.444 27 A N -0.625 122.230 122.820 0.059 0.000 2.327 27 A HA 0.124 4.444 4.320 -0.000 0.000 0.255 27 A C 1.087 178.706 177.584 0.059 0.000 1.099 27 A CA 0.234 52.303 52.037 0.054 0.000 0.801 27 A CB 0.238 19.260 19.000 0.037 0.000 1.062 27 A HN 0.380 nan 8.150 nan 0.000 0.496 28 T N 0.418 115.014 114.554 0.069 0.000 2.746 28 T HA 0.258 4.608 4.350 -0.000 0.000 0.267 28 T C 0.752 175.483 174.700 0.051 0.000 1.039 28 T CA 1.717 63.873 62.100 0.095 0.000 1.142 28 T CB -0.254 68.693 68.868 0.132 0.000 0.866 28 T HN 1.417 nan 8.240 nan 0.000 0.444 29 A N -0.133 122.689 122.820 0.004 0.000 2.547 29 A HA 0.785 5.105 4.320 -0.000 0.000 0.297 29 A C -1.550 175.989 177.584 -0.076 0.000 1.056 29 A CA -0.470 51.549 52.037 -0.029 0.000 0.688 29 A CB 1.381 20.347 19.000 -0.057 0.000 1.282 29 A HN 0.507 nan 8.150 nan 0.000 0.400 30 A N 1.219 123.995 122.820 -0.074 0.000 2.442 30 A HA 0.665 4.985 4.320 -0.000 0.000 0.284 30 A C -1.262 176.260 177.584 -0.105 0.000 1.058 30 A CA -0.380 51.558 52.037 -0.166 0.000 0.738 30 A CB 1.140 20.098 19.000 -0.070 0.000 1.242 30 A HN 1.596 nan 8.150 nan 0.000 0.421 31 V N 2.579 122.380 119.914 -0.187 0.000 2.487 31 V HA 0.521 4.641 4.120 -0.000 0.000 0.298 31 V C -0.154 175.945 176.094 0.007 0.000 1.028 31 V CA -0.482 61.788 62.300 -0.050 0.000 0.860 31 V CB 1.622 33.416 31.823 -0.049 0.000 0.991 31 V HN 0.964 nan 8.190 nan 0.000 0.427 32 M N 6.277 125.976 119.600 0.164 0.000 2.135 32 M HA 0.460 4.940 4.480 -0.000 0.000 0.345 32 M C -0.946 175.431 176.300 0.127 0.000 1.340 32 M CA 0.190 55.636 55.300 0.243 0.000 1.162 32 M CB 0.639 33.385 32.600 0.243 0.000 1.570 32 M HN 0.449 nan 8.290 nan 0.000 0.454 33 V N 4.861 124.839 119.914 0.106 0.000 2.384 33 V HA 0.785 4.905 4.120 -0.000 0.000 0.287 33 V C -0.662 175.466 176.094 0.057 0.000 1.020 33 V CA -0.477 61.863 62.300 0.066 0.000 0.850 33 V CB 1.378 33.228 31.823 0.045 0.000 0.987 33 V HN 0.907 nan 8.190 nan 0.000 0.436 34 S N 4.934 120.653 115.700 0.032 0.000 2.649 34 S HA 0.702 5.172 4.470 -0.000 0.000 0.274 34 S C -0.898 173.693 174.600 -0.015 0.000 1.176 34 S CA -0.900 57.310 58.200 0.017 0.000 0.988 34 S CB 1.539 64.757 63.200 0.029 0.000 1.071 34 S HN 0.824 nan 8.310 nan 0.000 0.478 35 M N 0.201 119.785 119.600 -0.027 0.000 2.043 35 M HA 0.790 5.270 4.480 -0.000 0.000 0.322 35 M C -0.102 176.184 176.300 -0.025 0.000 0.962 35 M CA 0.654 55.928 55.300 -0.043 0.000 0.927 35 M CB 0.406 32.976 32.600 -0.050 0.000 1.466 35 M HN 1.135 nan 8.290 nan 0.000 0.412 36 D N 1.417 121.824 120.400 0.011 0.000 2.990 36 D HA -0.112 4.528 4.640 -0.000 0.000 0.245 36 D C 0.055 176.368 176.300 0.022 0.000 1.120 36 D CA 0.834 54.858 54.000 0.040 0.000 0.838 36 D CB -2.189 38.682 40.800 0.120 0.000 1.000 36 D HN 0.983 nan 8.370 nan 0.000 0.420 37 D N -1.785 118.626 120.400 0.018 0.000 3.006 37 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 37 D C 0.506 176.816 176.300 0.017 0.000 1.116 37 D CA 2.132 56.143 54.000 0.018 0.000 0.998 37 D CB -1.584 39.228 40.800 0.020 0.000 1.124 37 D HN 1.056 nan 8.370 nan 0.000 0.413 38 T N -0.077 114.483 114.554 0.010 0.000 2.855 38 T HA 0.757 5.107 4.350 -0.000 0.000 0.281 38 T C -0.194 174.520 174.700 0.023 0.000 1.007 38 T CA 0.056 62.163 62.100 0.012 0.000 1.009 38 T CB 2.193 71.061 68.868 0.000 0.000 0.983 38 T HN 0.263 nan 8.240 nan 0.000 0.455 39 A N 2.200 125.042 122.820 0.037 0.000 2.427 39 A HA 0.713 5.033 4.320 -0.000 0.000 0.298 39 A C -1.157 176.472 177.584 0.076 0.000 1.036 39 A CA -0.642 51.430 52.037 0.058 0.000 0.701 39 A CB 1.368 20.407 19.000 0.065 0.000 1.250 39 A HN 0.645 nan 8.150 nan 0.000 0.412 40 V N 2.676 122.647 119.914 0.094 0.000 2.349 40 V HA 0.333 4.453 4.120 -0.000 0.000 0.284 40 V C -0.750 175.432 176.094 0.146 0.000 1.014 40 V CA -0.293 62.072 62.300 0.108 0.000 0.826 40 V CB 0.934 32.824 31.823 0.111 0.000 1.009 40 V HN 0.802 nan 8.190 nan 0.000 0.431 41 F N 6.493 126.450 119.950 0.011 0.000 2.434 41 F HA 0.524 5.051 4.527 -0.000 0.000 0.358 41 F C -0.008 175.799 175.800 0.011 0.000 1.136 41 F CA -0.217 57.791 58.000 0.014 0.000 1.157 41 F CB 0.721 39.731 39.000 0.017 0.000 1.167 41 F HN 0.280 nan 8.300 nan 0.000 0.539 42 V N 5.127 124.787 119.914 -0.422 0.000 2.435 42 V HA 0.482 4.602 4.120 -0.000 0.000 0.290 42 V C -0.125 175.659 176.094 -0.515 0.000 1.030 42 V CA -0.617 61.475 62.300 -0.347 0.000 0.881 42 V CB 1.673 33.398 31.823 -0.163 0.000 0.983 42 V HN 0.800 nan 8.190 nan 0.000 0.445 43 T N 1.543 115.871 114.554 -0.376 0.000 2.824 43 T HA 0.769 5.119 4.350 -0.000 0.000 0.282 43 T C -0.846 173.762 174.700 -0.154 0.000 0.993 43 T CA -0.740 61.186 62.100 -0.290 0.000 0.967 43 T CB 1.727 70.455 68.868 -0.233 0.000 0.960 43 T HN 0.280 nan 8.240 nan 0.000 0.441 44 V N 3.247 123.087 119.914 -0.125 0.000 2.409 44 V HA 0.601 4.721 4.120 -0.000 0.000 0.291 44 V C -0.349 175.721 176.094 -0.040 0.000 1.020 44 V CA -0.875 61.374 62.300 -0.085 0.000 0.848 44 V CB 1.603 33.356 31.823 -0.118 0.000 0.990 44 V HN 0.874 nan 8.190 nan 0.000 0.430 45 V N 5.655 125.562 119.914 -0.013 0.000 2.334 45 V HA 0.866 4.986 4.120 -0.000 0.000 0.281 45 V C 0.483 176.610 176.094 0.055 0.000 1.016 45 V CA 0.150 62.468 62.300 0.030 0.000 0.832 45 V CB 1.130 32.971 31.823 0.030 0.000 0.999 45 V HN 0.917 nan 8.190 nan 0.000 0.439 46 G N 4.845 113.713 108.800 0.114 0.000 2.434 46 G HA2 0.595 4.555 3.960 -0.000 0.000 0.330 46 G HA3 0.595 4.555 3.960 -0.000 0.000 0.330 46 G C -0.933 174.179 174.900 0.352 0.000 1.155 46 G CA -0.558 44.645 45.100 0.173 0.000 0.917 46 G HN 0.708 nan 8.290 nan 0.000 0.493 47 Q N -0.110 119.936 119.800 0.410 0.000 2.309 47 Q HA 0.266 4.606 4.340 -0.000 0.000 0.264 47 Q C 0.373 176.677 176.000 0.506 0.000 1.008 47 Q CA -1.087 54.926 55.803 0.349 0.000 0.853 47 Q CB 2.372 31.202 28.738 0.153 0.000 1.314 47 Q HN 0.308 nan 8.270 nan 0.000 0.448 48 K N 1.247 121.729 120.400 0.137 0.000 2.007 48 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 48 K C 0.377 177.000 176.600 0.039 0.000 1.047 48 K CA 1.341 57.552 56.287 -0.128 0.000 0.937 48 K CB -0.035 32.337 32.500 -0.214 0.000 0.718 48 K HN 0.540 nan 8.250 nan 0.000 0.438 49 K N 0.324 120.749 120.400 0.041 0.000 2.244 49 K HA 0.629 4.949 4.320 -0.000 0.000 0.260 49 K C -1.027 175.591 176.600 0.030 0.000 0.951 49 K CA -0.629 55.684 56.287 0.043 0.000 0.826 49 K CB 2.239 34.749 32.500 0.017 0.000 1.108 49 K HN -0.101 nan 8.250 nan 0.000 0.433 50 A N 1.937 124.766 122.820 0.015 0.000 2.317 50 A HA 0.318 4.638 4.320 -0.000 0.000 0.327 50 A C -0.187 177.374 177.584 -0.039 0.000 1.178 50 A CA -0.790 51.223 52.037 -0.040 0.000 0.817 50 A CB 1.110 20.058 19.000 -0.087 0.000 1.189 50 A HN 0.705 nan 8.150 nan 0.000 0.489 51 K N 3.685 124.050 120.400 -0.058 0.000 2.600 51 K HA -0.014 4.306 4.320 -0.000 0.000 0.280 51 K C -1.317 175.263 176.600 -0.034 0.000 0.971 51 K CA 0.434 56.694 56.287 -0.044 0.000 1.053 51 K CB 0.196 32.660 32.500 -0.060 0.000 0.856 51 K HN 0.708 nan 8.250 nan 0.000 0.495 52 P HA -0.082 nan 4.420 nan 0.000 0.218 52 P C 1.174 178.471 177.300 -0.004 0.000 1.148 52 P CA 2.065 65.162 63.100 -0.004 0.000 0.822 52 P CB -0.085 31.616 31.700 0.002 0.000 0.784 53 G N -1.543 107.252 108.800 -0.008 0.000 2.939 53 G HA2 0.023 3.982 3.960 -0.000 0.000 0.216 53 G HA3 0.023 3.982 3.960 -0.000 0.000 0.216 53 G C 0.717 175.614 174.900 -0.006 0.000 1.125 53 G CA -0.168 44.934 45.100 0.002 0.000 0.766 53 G HN 0.290 nan 8.290 nan 0.000 0.541 54 Q N -0.039 119.729 119.800 -0.054 0.000 2.450 54 Q HA 0.128 4.468 4.340 -0.000 0.000 0.294 54 Q C 0.345 176.304 176.000 -0.069 0.000 1.129 54 Q CA 0.928 56.657 55.803 -0.124 0.000 0.970 54 Q CB 0.642 29.204 28.738 -0.294 0.000 1.294 54 Q HN 0.230 nan 8.270 nan 0.000 0.453 55 D N -0.495 119.878 120.400 -0.044 0.000 2.204 55 D HA 0.028 4.668 4.640 -0.000 0.000 0.337 55 D C -0.920 175.441 176.300 0.100 0.000 1.054 55 D CA -0.098 53.931 54.000 0.047 0.000 0.869 55 D CB 0.515 41.379 40.800 0.106 0.000 1.548 55 D HN 0.375 nan 8.370 nan 0.000 0.530 56 F N 0.874 120.835 119.950 0.018 0.000 2.436 56 F HA 0.581 5.108 4.527 0.000 0.000 0.340 56 F C -0.620 175.216 175.800 0.061 0.000 1.113 56 F CA -1.647 56.373 58.000 0.032 0.000 1.022 56 F CB 0.622 39.622 39.000 -0.000 0.000 1.128 56 F HN -0.250 nan 8.300 nan 0.000 0.466 57 F N 7.182 127.097 119.950 -0.058 0.000 2.494 57 F HA 0.454 4.981 4.527 0.000 0.000 0.369 57 F C -2.411 173.327 175.800 -0.104 0.000 1.098 57 F CA -3.433 54.465 58.000 -0.170 0.000 1.154 57 F CB 0.346 39.291 39.000 -0.091 0.000 1.103 57 F HN 0.321 nan 8.300 nan 0.000 0.549 58 P HA 0.221 nan 4.420 nan 0.000 0.258 58 P C -1.211 175.628 177.300 -0.768 0.000 1.647 58 P CA -0.288 62.515 63.100 -0.495 0.000 1.099 58 P CB 0.935 32.416 31.700 -0.365 0.000 1.604 59 L N 2.869 123.609 121.223 -0.805 0.000 2.305 59 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 59 L C -0.463 176.250 176.870 -0.262 0.000 1.013 59 L CA -0.060 54.401 54.840 -0.632 0.000 0.819 59 L CB 1.901 43.541 42.059 -0.697 0.000 1.227 59 L HN 0.184 nan 8.230 nan 0.000 0.417 60 T N 4.817 119.267 114.554 -0.175 0.000 2.812 60 T HA 0.672 5.022 4.350 -0.000 0.000 0.282 60 T C -1.267 173.405 174.700 -0.048 0.000 0.990 60 T CA -0.423 61.626 62.100 -0.085 0.000 0.960 60 T CB 0.875 69.704 68.868 -0.064 0.000 0.948 60 T HN 0.362 nan 8.240 nan 0.000 0.438 61 V N 6.614 126.517 119.914 -0.018 0.000 2.384 61 V HA 0.518 4.638 4.120 -0.000 0.000 0.287 61 V C -0.326 175.786 176.094 0.029 0.000 1.020 61 V CA -1.068 61.237 62.300 0.008 0.000 0.850 61 V CB 1.514 33.349 31.823 0.020 0.000 0.987 61 V HN 0.814 nan 8.190 nan 0.000 0.436 62 N N 3.748 122.469 118.700 0.036 0.000 2.444 62 N HA 0.327 5.067 4.740 -0.000 0.000 0.262 62 N C -1.240 174.327 175.510 0.096 0.000 0.974 62 N CA -0.326 52.755 53.050 0.051 0.000 0.933 62 N CB 1.862 40.360 38.487 0.018 0.000 1.137 62 N HN 0.752 nan 8.380 nan 0.000 0.498 63 Y N 2.694 122.985 120.300 -0.016 0.000 2.356 63 Y HA 0.222 4.771 4.550 -0.000 0.000 0.334 63 Y C -0.700 175.192 175.900 -0.013 0.000 0.958 63 Y CA -0.747 57.344 58.100 -0.015 0.000 1.196 63 Y CB 0.800 39.250 38.460 -0.017 0.000 1.137 63 Y HN 0.410 nan 8.280 nan 0.000 0.485 64 Q N 4.379 123.906 119.800 -0.454 0.000 2.290 64 Q HA 0.453 4.793 4.340 -0.000 0.000 0.269 64 Q C -1.602 174.146 176.000 -0.421 0.000 1.016 64 Q CA -0.873 54.734 55.803 -0.327 0.000 0.754 64 Q CB 2.102 30.746 28.738 -0.157 0.000 1.247 64 Q HN 0.640 nan 8.270 nan 0.000 0.451 65 E N 2.803 122.798 120.200 -0.343 0.000 2.146 65 E HA 0.297 4.647 4.350 -0.000 0.000 0.282 65 E C -0.603 175.849 176.600 -0.246 0.000 0.989 65 E CA -0.858 55.361 56.400 -0.301 0.000 0.799 65 E CB 1.118 30.702 29.700 -0.194 0.000 1.088 65 E HN 0.332 nan 8.360 nan 0.000 0.397 66 R N 1.416 121.716 120.500 -0.334 0.000 2.357 66 R HA 0.092 4.432 4.340 -0.000 0.000 0.296 66 R C 1.166 177.189 176.300 -0.463 0.000 1.052 66 R CA -0.053 55.751 56.100 -0.493 0.000 0.988 66 R CB 0.805 30.520 30.300 -0.976 0.000 1.025 66 R HN 0.673 nan 8.270 nan 0.000 0.469 67 T N -1.357 113.006 114.554 -0.317 0.000 3.023 67 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 67 T C 1.649 176.288 174.700 -0.101 0.000 1.093 67 T CA 0.935 62.945 62.100 -0.149 0.000 1.129 67 T CB -0.337 68.507 68.868 -0.040 0.000 0.899 67 T HN 0.738 nan 8.240 nan 0.000 0.491 68 Y N 0.800 121.095 120.300 -0.009 0.000 2.616 68 Y HA 0.613 5.163 4.550 -0.000 0.000 0.296 68 Y C 2.431 178.326 175.900 -0.009 0.000 1.154 68 Y CA -0.377 57.717 58.100 -0.010 0.000 1.325 68 Y CB -0.747 37.705 38.460 -0.014 0.000 1.007 68 Y HN 0.238 nan 8.280 nan 0.000 0.542 69 A N 1.387 124.128 122.820 -0.132 0.000 1.930 69 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 69 A C 2.333 179.922 177.584 0.007 0.000 1.175 69 A CA 1.611 53.619 52.037 -0.049 0.000 0.627 69 A CB -1.010 17.903 19.000 -0.145 0.000 0.815 69 A HN 0.614 nan 8.150 nan 0.000 0.443 70 A N -2.081 120.736 122.820 -0.005 0.000 2.195 70 A HA 0.447 4.767 4.320 -0.000 0.000 0.210 70 A C 1.524 179.125 177.584 0.029 0.000 1.165 70 A CA 1.094 53.138 52.037 0.011 0.000 0.806 70 A CB -0.556 18.444 19.000 0.001 0.000 0.847 70 A HN 1.942 nan 8.150 nan 0.000 0.482 71 G N -0.417 108.413 108.800 0.049 0.000 2.414 71 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.256 71 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.256 71 G C -0.228 174.698 174.900 0.044 0.000 1.128 71 G CA 0.042 45.176 45.100 0.057 0.000 0.944 71 G HN 0.598 nan 8.290 nan 0.000 0.500 72 R N -0.983 119.545 120.500 0.047 0.000 2.621 72 R HA 0.610 4.950 4.340 -0.000 0.000 0.284 72 R C 0.131 176.456 176.300 0.042 0.000 0.998 72 R CA -0.982 55.139 56.100 0.034 0.000 0.895 72 R CB 1.684 31.996 30.300 0.021 0.000 1.195 72 R HN 0.234 nan 8.270 nan 0.000 0.450 73 I N 3.826 124.417 120.570 0.034 0.000 2.371 73 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 73 I C -1.797 174.337 176.117 0.029 0.000 1.028 73 I CA -1.967 59.353 61.300 0.034 0.000 1.345 73 I CB 0.869 38.882 38.000 0.021 0.000 1.407 73 I HN 0.265 nan 8.210 nan 0.000 0.501 74 P HA -0.040 nan 4.420 nan 0.000 0.264 74 P C 0.919 178.242 177.300 0.038 0.000 1.179 74 P CA 0.181 63.303 63.100 0.036 0.000 0.763 74 P CB 0.561 32.289 31.700 0.047 0.000 0.806 75 G N 1.337 110.164 108.800 0.044 0.000 2.920 75 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.208 75 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.208 75 G C 0.486 175.433 174.900 0.078 0.000 1.159 75 G CA 0.093 45.224 45.100 0.051 0.000 0.784 75 G HN 0.629 nan 8.290 nan 0.000 0.535 76 S N -0.932 114.825 115.700 0.095 0.000 2.600 76 S HA 0.331 4.801 4.470 -0.000 0.000 0.265 76 S C 0.938 175.646 174.600 0.181 0.000 1.325 76 S CA -0.650 57.643 58.200 0.154 0.000 1.002 76 S CB 1.038 64.337 63.200 0.166 0.000 0.921 76 S HN 0.121 nan 8.310 nan 0.000 0.554 77 F N 0.284 120.291 119.950 0.095 0.000 2.186 77 F HA 0.100 4.627 4.527 -0.000 0.000 0.299 77 F C 1.441 177.223 175.800 -0.030 0.000 1.090 77 F CA 1.090 59.104 58.000 0.024 0.000 1.307 77 F CB -0.170 38.834 39.000 0.007 0.000 1.019 77 F HN 0.617 nan 8.300 nan 0.000 0.489 78 F N 0.693 120.702 119.950 0.099 0.000 2.710 78 F HA 0.112 4.639 4.527 -0.000 0.000 0.298 78 F C 0.755 176.536 175.800 -0.031 0.000 1.137 78 F CA 0.374 58.384 58.000 0.018 0.000 1.444 78 F CB -0.029 39.018 39.000 0.078 0.000 1.111 78 F HN -0.202 nan 8.300 nan 0.000 0.580 79 R N 0.962 121.535 120.500 0.122 0.000 3.422 79 R HA -0.215 4.125 4.340 -0.000 0.000 0.267 79 R C -0.231 176.123 176.300 0.089 0.000 1.074 79 R CA 0.389 56.526 56.100 0.063 0.000 0.718 79 R CB -2.252 28.044 30.300 -0.008 0.000 1.157 79 R HN 0.376 nan 8.270 nan 0.000 0.440 80 R N 0.159 120.728 120.500 0.115 0.000 2.739 80 R HA 0.207 4.547 4.340 -0.000 0.000 0.271 80 R C -0.619 175.715 176.300 0.057 0.000 1.010 80 R CA -0.754 55.398 56.100 0.086 0.000 0.897 80 R CB 1.154 31.510 30.300 0.094 0.000 1.236 80 R HN -0.043 nan 8.270 nan 0.000 0.466 81 E N 0.780 120.998 120.200 0.031 0.000 2.452 81 E HA 0.173 4.523 4.350 -0.000 0.000 0.293 81 E C 0.735 177.331 176.600 -0.006 0.000 1.535 81 E CA -0.121 56.281 56.400 0.002 0.000 1.816 81 E CB 0.463 30.145 29.700 -0.029 0.000 1.494 81 E HN 0.716 nan 8.360 nan 0.000 0.464 82 G N 1.136 109.932 108.800 -0.007 0.000 2.268 82 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.330 82 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.330 82 G C 0.128 175.011 174.900 -0.027 0.000 1.413 82 G CA -0.762 44.319 45.100 -0.033 0.000 1.094 82 G HN 0.310 nan 8.290 nan 0.000 0.581 83 R N 0.708 121.187 120.500 -0.036 0.000 2.465 83 R HA -0.072 4.268 4.340 -0.000 0.000 0.273 83 R C -1.818 174.478 176.300 -0.007 0.000 0.952 83 R CA -0.150 55.937 56.100 -0.021 0.000 1.103 83 R CB -0.802 29.485 30.300 -0.022 0.000 0.861 83 R HN 0.389 nan 8.270 nan 0.000 0.425 84 P HA 0.002 nan 4.420 nan 0.000 0.280 84 P C -0.250 177.064 177.300 0.023 0.000 1.278 84 P CA -0.248 62.860 63.100 0.013 0.000 0.787 84 P CB 0.496 32.210 31.700 0.025 0.000 1.163 85 S N -2.453 113.268 115.700 0.035 0.000 2.874 85 S HA 0.266 4.736 4.470 -0.000 0.000 0.318 85 S C 1.126 175.754 174.600 0.047 0.000 1.109 85 S CA -0.616 57.609 58.200 0.041 0.000 0.878 85 S CB 1.072 64.296 63.200 0.041 0.000 1.307 85 S HN 0.529 nan 8.310 nan 0.000 0.592 86 E N 0.243 120.472 120.200 0.048 0.000 2.107 86 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 86 E C 1.861 178.482 176.600 0.034 0.000 0.982 86 E CA 1.043 57.469 56.400 0.043 0.000 0.809 86 E CB -0.853 28.875 29.700 0.046 0.000 0.756 86 E HN 0.793 nan 8.360 nan 0.000 0.459 87 G N 0.715 109.540 108.800 0.042 0.000 2.394 87 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 87 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 87 G C 1.276 176.216 174.900 0.067 0.000 1.165 87 G CA 0.517 45.643 45.100 0.043 0.000 0.784 87 G HN 0.251 nan 8.290 nan 0.000 0.535 88 E N 0.090 120.356 120.200 0.110 0.000 2.204 88 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 88 E C 2.636 179.334 176.600 0.164 0.000 0.990 88 E CA 1.333 57.863 56.400 0.216 0.000 0.821 88 E CB -0.103 29.696 29.700 0.165 0.000 0.750 88 E HN 0.371 nan 8.360 nan 0.000 0.477 89 T N 1.177 115.774 114.554 0.073 0.000 2.951 89 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 89 T C 1.929 176.617 174.700 -0.021 0.000 1.073 89 T CA 0.541 62.659 62.100 0.031 0.000 1.134 89 T CB -0.035 68.845 68.868 0.019 0.000 0.884 89 T HN 0.087 nan 8.240 nan 0.000 0.479 90 L N 0.042 121.242 121.223 -0.038 0.000 2.056 90 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 90 L C 2.216 179.004 176.870 -0.136 0.000 1.078 90 L CA 1.048 55.838 54.840 -0.084 0.000 0.749 90 L CB -0.512 41.504 42.059 -0.071 0.000 0.901 90 L HN 0.216 nan 8.230 nan 0.000 0.433 91 I N -0.112 120.335 120.570 -0.205 0.000 2.439 91 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 91 I C 2.702 178.614 176.117 -0.341 0.000 1.139 91 I CA 1.094 62.151 61.300 -0.405 0.000 1.438 91 I CB -0.584 36.874 38.000 -0.904 0.000 1.085 91 I HN 0.102 nan 8.210 nan 0.000 0.427 92 A N 0.688 123.405 122.820 -0.173 0.000 1.940 92 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 92 A C 2.453 180.006 177.584 -0.051 0.000 1.176 92 A CA 1.597 53.613 52.037 -0.036 0.000 0.631 92 A CB -0.524 18.508 19.000 0.053 0.000 0.814 92 A HN 0.328 nan 8.150 nan 0.000 0.446 93 R N -1.530 118.925 120.500 -0.074 0.000 2.119 93 R HA 0.047 4.386 4.340 -0.000 0.000 0.222 93 R C 1.905 178.158 176.300 -0.078 0.000 1.088 93 R CA 0.969 57.025 56.100 -0.074 0.000 0.984 93 R CB -0.350 29.889 30.300 -0.101 0.000 0.884 93 R HN 0.447 nan 8.270 nan 0.000 0.447 94 L N 0.680 121.839 121.223 -0.108 0.000 2.275 94 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 94 L C 1.692 178.517 176.870 -0.075 0.000 1.119 94 L CA 1.486 56.264 54.840 -0.102 0.000 0.790 94 L CB 0.090 42.067 42.059 -0.137 0.000 0.919 94 L HN 0.128 nan 8.230 nan 0.000 0.443 95 I N -1.797 118.730 120.570 -0.072 0.000 2.731 95 I HA -0.073 4.097 4.170 -0.000 0.000 0.260 95 I C 1.920 178.047 176.117 0.017 0.000 1.138 95 I CA 0.564 61.846 61.300 -0.030 0.000 1.461 95 I CB -0.222 37.759 38.000 -0.032 0.000 1.128 95 I HN 0.120 nan 8.210 nan 0.000 0.438 96 D N 1.349 121.758 120.400 0.014 0.000 2.149 96 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 96 D C 2.279 178.624 176.300 0.074 0.000 0.972 96 D CA 1.333 55.364 54.000 0.051 0.000 0.835 96 D CB 0.165 40.980 40.800 0.024 0.000 0.966 96 D HN 0.101 nan 8.370 nan 0.000 0.476 97 R N 0.144 120.664 120.500 0.034 0.000 2.073 97 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 97 R C -0.576 175.759 176.300 0.057 0.000 1.134 97 R CA 1.822 57.942 56.100 0.033 0.000 0.952 97 R CB -0.992 29.301 30.300 -0.011 0.000 0.850 97 R HN 0.355 nan 8.270 nan 0.000 0.433 98 P HA -0.071 nan 4.420 nan 0.000 0.231 98 P C 1.154 178.514 177.300 0.100 0.000 1.168 98 P CA 1.123 64.256 63.100 0.055 0.000 0.779 98 P CB -0.031 31.691 31.700 0.037 0.000 0.844 99 I N -3.245 117.432 120.570 0.178 0.000 2.852 99 I HA 0.101 4.271 4.170 -0.000 0.000 0.264 99 I C 2.366 178.746 176.117 0.439 0.000 1.179 99 I CA 0.289 61.784 61.300 0.325 0.000 1.480 99 I CB -0.504 37.708 38.000 0.354 0.000 1.111 99 I HN -0.303 nan 8.210 nan 0.000 0.441 100 R N 1.621 122.374 120.500 0.423 0.000 2.073 100 R HA -0.033 4.307 4.340 -0.000 0.000 0.234 100 R C -0.281 176.234 176.300 0.358 0.000 1.134 100 R CA 1.735 58.160 56.100 0.541 0.000 0.952 100 R CB -1.748 28.774 30.300 0.370 0.000 0.850 100 R HN 0.385 nan 8.270 nan 0.000 0.433 101 P HA -0.113 nan 4.420 nan 0.000 0.222 101 P C 0.898 178.171 177.300 -0.045 0.000 1.147 101 P CA 1.135 64.271 63.100 0.061 0.000 0.790 101 P CB 0.033 31.749 31.700 0.026 0.000 0.780 102 L N -3.028 118.101 121.223 -0.156 0.000 2.395 102 L HA 0.022 4.362 4.340 -0.000 0.000 0.218 102 L C 0.858 177.413 176.870 -0.526 0.000 1.130 102 L CA 0.008 54.568 54.840 -0.467 0.000 0.826 102 L CB -0.567 40.938 42.059 -0.924 0.000 0.941 102 L HN -0.091 nan 8.230 nan 0.000 0.451 103 F N 1.880 121.665 119.950 -0.274 0.000 2.538 103 F HA 0.110 4.637 4.527 0.000 0.000 0.371 103 F C -1.343 174.250 175.800 -0.345 0.000 1.087 103 F CA -2.081 55.703 58.000 -0.361 0.000 1.250 103 F CB -0.184 38.526 39.000 -0.482 0.000 1.110 103 F HN -0.121 nan 8.300 nan 0.000 0.570 104 P HA -0.064 nan 4.420 nan 0.000 0.269 104 P C -0.679 176.637 177.300 0.027 0.000 1.215 104 P CA -0.300 62.760 63.100 -0.067 0.000 0.780 104 P CB 0.546 32.235 31.700 -0.018 0.000 0.898 105 E N 0.918 121.173 120.200 0.091 0.000 2.265 105 E HA 0.283 4.633 4.350 -0.000 0.000 0.272 105 E C 0.845 177.583 176.600 0.230 0.000 1.067 105 E CA 0.366 56.837 56.400 0.119 0.000 0.900 105 E CB -0.788 28.970 29.700 0.096 0.000 1.017 105 E HN 0.782 nan 8.360 nan 0.000 0.431 106 G N 4.208 113.142 108.800 0.223 0.000 2.192 106 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.193 106 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.193 106 G C -0.315 174.855 174.900 0.451 0.000 0.999 106 G CA -0.271 45.020 45.100 0.319 0.000 0.659 106 G HN 0.534 nan 8.290 nan 0.000 0.503 107 F N 2.084 122.047 119.950 0.023 0.000 2.424 107 F HA 0.546 5.073 4.527 -0.000 0.000 0.356 107 F C 1.106 176.817 175.800 -0.148 0.000 1.110 107 F CA -0.006 57.827 58.000 -0.277 0.000 1.161 107 F CB 1.550 40.120 39.000 -0.718 0.000 1.115 107 F HN -0.019 nan 8.300 nan 0.000 0.507 108 V N 3.909 123.555 119.914 -0.446 0.000 3.432 108 V HA 0.131 4.251 4.120 -0.000 0.000 0.298 108 V C 0.460 176.324 176.094 -0.383 0.000 1.464 108 V CA -0.477 61.681 62.300 -0.237 0.000 1.046 108 V CB -0.813 30.931 31.823 -0.131 0.000 0.887 108 V HN 0.625 nan 8.190 nan 0.000 0.441 109 N N 2.580 120.789 118.700 -0.818 0.000 2.513 109 N HA 0.095 4.835 4.740 -0.000 0.000 0.268 109 N C 0.067 175.398 175.510 -0.299 0.000 1.180 109 N CA 0.193 52.915 53.050 -0.545 0.000 0.948 109 N CB 1.292 39.424 38.487 -0.591 0.000 1.083 109 N HN 0.539 nan 8.380 nan 0.000 0.455 110 E N 1.716 121.798 120.200 -0.197 0.000 2.299 110 E HA 0.188 4.537 4.350 -0.000 0.000 0.272 110 E C -0.808 175.730 176.600 -0.104 0.000 1.043 110 E CA -0.568 55.717 56.400 -0.193 0.000 0.895 110 E CB 0.520 30.130 29.700 -0.150 0.000 1.011 110 E HN 0.311 nan 8.360 nan 0.000 0.432 111 V N 1.833 121.651 119.914 -0.159 0.000 2.588 111 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 111 V C -0.739 175.290 176.094 -0.109 0.000 1.042 111 V CA -1.035 61.219 62.300 -0.077 0.000 0.877 111 V CB 1.547 33.375 31.823 0.008 0.000 0.996 111 V HN 0.746 nan 8.190 nan 0.000 0.425 112 Q N 2.545 122.312 119.800 -0.056 0.000 2.340 112 Q HA 0.728 5.068 4.340 -0.000 0.000 0.268 112 Q C -1.752 174.225 176.000 -0.038 0.000 1.031 112 Q CA -0.698 55.074 55.803 -0.052 0.000 0.804 112 Q CB 2.431 31.147 28.738 -0.037 0.000 1.286 112 Q HN 0.819 nan 8.270 nan 0.000 0.448 113 V N 5.967 125.860 119.914 -0.034 0.000 2.313 113 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 113 V C -0.551 175.529 176.094 -0.024 0.000 1.017 113 V CA -0.571 61.708 62.300 -0.035 0.000 0.823 113 V CB 0.841 32.650 31.823 -0.024 0.000 1.010 113 V HN 0.661 nan 8.190 nan 0.000 0.443 114 I N 4.514 125.061 120.570 -0.039 0.000 2.306 114 I HA 0.614 4.784 4.170 -0.000 0.000 0.288 114 I C 0.597 176.690 176.117 -0.039 0.000 1.036 114 I CA 0.028 61.313 61.300 -0.025 0.000 1.221 114 I CB 1.431 39.421 38.000 -0.016 0.000 1.385 114 I HN 0.606 nan 8.210 nan 0.000 0.472 115 A N 4.297 127.118 122.820 0.003 0.000 2.267 115 A HA 0.685 5.005 4.320 -0.000 0.000 0.315 115 A C -0.031 177.527 177.584 -0.044 0.000 1.297 115 A CA -0.470 51.578 52.037 0.018 0.000 0.865 115 A CB 0.711 19.792 19.000 0.135 0.000 1.165 115 A HN 0.549 nan 8.150 nan 0.000 0.513 116 T N 2.243 116.784 114.554 -0.021 0.000 2.807 116 T HA 0.494 4.844 4.350 -0.000 0.000 0.279 116 T C -0.539 174.135 174.700 -0.042 0.000 0.993 116 T CA -0.311 61.748 62.100 -0.067 0.000 0.970 116 T CB 0.547 69.431 68.868 0.028 0.000 0.950 116 T HN 0.466 nan 8.240 nan 0.000 0.441 117 V N 6.617 126.431 119.914 -0.167 0.000 2.455 117 V HA 0.246 4.366 4.120 -0.000 0.000 0.273 117 V C 1.199 177.232 176.094 -0.103 0.000 1.045 117 V CA -0.112 62.125 62.300 -0.105 0.000 0.976 117 V CB 1.076 32.811 31.823 -0.147 0.000 0.993 117 V HN 0.829 nan 8.190 nan 0.000 0.475 118 V N 4.117 124.029 119.914 -0.004 0.000 3.263 118 V HA 0.209 4.329 4.120 -0.000 0.000 0.248 118 V C 0.841 176.977 176.094 0.069 0.000 1.145 118 V CA 1.309 63.645 62.300 0.060 0.000 1.107 118 V CB 1.101 33.002 31.823 0.130 0.000 0.797 118 V HN 0.962 nan 8.190 nan 0.000 0.467 119 S N -1.132 114.589 115.700 0.035 0.000 2.564 119 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 119 S C -1.270 173.337 174.600 0.012 0.000 1.124 119 S CA -0.501 57.720 58.200 0.034 0.000 0.869 119 S CB 2.021 65.251 63.200 0.051 0.000 1.105 119 S HN 0.242 nan 8.310 nan 0.000 0.472 120 V N 1.434 121.353 119.914 0.009 0.000 2.808 120 V HA 0.668 4.788 4.120 -0.000 0.000 0.308 120 V C -1.581 174.520 176.094 0.011 0.000 1.099 120 V CA -0.656 61.648 62.300 0.006 0.000 0.920 120 V CB 2.186 34.007 31.823 -0.004 0.000 1.014 120 V HN 1.074 nan 8.190 nan 0.000 0.425 121 N N 5.747 124.452 118.700 0.010 0.000 2.400 121 N HA 0.595 5.335 4.740 -0.000 0.000 0.288 121 N C -2.110 173.407 175.510 0.011 0.000 1.024 121 N CA -1.871 51.186 53.050 0.012 0.000 0.894 121 N CB 2.540 41.034 38.487 0.012 0.000 1.173 121 N HN 0.339 nan 8.380 nan 0.000 0.487 122 P HA -0.096 nan 4.420 nan 0.000 0.229 122 P C 0.302 177.612 177.300 0.017 0.000 1.150 122 P CA 1.050 64.159 63.100 0.015 0.000 0.765 122 P CB 0.346 32.056 31.700 0.016 0.000 0.783 123 Q N -1.687 118.125 119.800 0.019 0.000 2.378 123 Q HA 0.147 4.487 4.340 -0.000 0.000 0.229 123 Q C 0.301 176.308 176.000 0.011 0.000 0.882 123 Q CA 0.433 56.251 55.803 0.025 0.000 0.936 123 Q CB 0.609 29.373 28.738 0.043 0.000 1.092 123 Q HN 0.141 nan 8.270 nan 0.000 0.535 124 V N 2.855 122.763 119.914 -0.010 0.000 2.370 124 V HA 0.234 4.354 4.120 -0.000 0.000 0.283 124 V C -0.185 175.892 176.094 -0.028 0.000 1.023 124 V CA -0.879 61.389 62.300 -0.053 0.000 0.857 124 V CB 1.476 33.237 31.823 -0.104 0.000 0.985 124 V HN 0.097 nan 8.190 nan 0.000 0.443 125 N N 7.660 126.345 118.700 -0.026 0.000 2.411 125 N HA 0.285 5.025 4.740 -0.000 0.000 0.259 125 N C -1.286 174.227 175.510 0.004 0.000 1.103 125 N CA -1.909 51.139 53.050 -0.003 0.000 0.954 125 N CB 1.586 40.071 38.487 -0.003 0.000 1.085 125 N HN 0.321 nan 8.380 nan 0.000 0.485 126 P HA -0.094 nan 4.420 nan 0.000 0.230 126 P C 0.300 177.641 177.300 0.070 0.000 1.158 126 P CA 0.654 63.801 63.100 0.078 0.000 0.769 126 P CB 0.279 32.065 31.700 0.144 0.000 0.807 127 D N 1.476 121.875 120.400 -0.002 0.000 2.144 127 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 127 D C 1.740 178.001 176.300 -0.064 0.000 0.984 127 D CA 1.152 55.089 54.000 -0.105 0.000 0.834 127 D CB -1.344 39.380 40.800 -0.128 0.000 0.955 127 D HN 0.296 nan 8.370 nan 0.000 0.465 128 I N -1.371 119.189 120.570 -0.017 0.000 2.716 128 I HA -0.024 4.146 4.170 -0.000 0.000 0.259 128 I C 2.136 178.268 176.117 0.025 0.000 1.172 128 I CA 0.218 61.525 61.300 0.011 0.000 1.478 128 I CB -0.546 37.480 38.000 0.042 0.000 1.104 128 I HN -0.133 nan 8.210 nan 0.000 0.439 129 V N 1.693 121.623 119.914 0.027 0.000 2.453 129 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 129 V C 2.948 179.068 176.094 0.044 0.000 1.048 129 V CA 1.718 64.039 62.300 0.035 0.000 1.049 129 V CB -1.278 30.566 31.823 0.035 0.000 0.672 129 V HN 0.580 nan 8.190 nan 0.000 0.457 130 A N -0.491 122.364 122.820 0.059 0.000 1.968 130 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 130 A C 2.216 179.813 177.584 0.021 0.000 1.169 130 A CA 1.756 53.840 52.037 0.077 0.000 0.638 130 A CB -0.433 18.663 19.000 0.161 0.000 0.812 130 A HN 0.493 nan 8.150 nan 0.000 0.446 131 M N -0.779 118.818 119.600 -0.004 0.000 2.254 131 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 131 M C 1.849 178.143 176.300 -0.010 0.000 1.066 131 M CA 1.220 56.512 55.300 -0.013 0.000 1.123 131 M CB -0.355 32.234 32.600 -0.017 0.000 1.388 131 M HN 0.373 nan 8.290 nan 0.000 0.425 132 I N -0.382 120.186 120.570 -0.003 0.000 2.353 132 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 132 I C 2.566 178.675 176.117 -0.013 0.000 1.119 132 I CA 1.127 62.423 61.300 -0.007 0.000 1.417 132 I CB -0.875 37.130 38.000 0.008 0.000 1.078 132 I HN 0.335 nan 8.210 nan 0.000 0.421 133 G N 0.727 109.521 108.800 -0.009 0.000 2.418 133 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 133 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 133 G C 1.841 176.698 174.900 -0.070 0.000 1.158 133 G CA 0.851 45.934 45.100 -0.028 0.000 0.771 133 G HN 0.483 nan 8.290 nan 0.000 0.545 134 A N 0.226 123.005 122.820 -0.068 0.000 1.968 134 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 134 A C 2.573 180.058 177.584 -0.166 0.000 1.169 134 A CA 1.988 53.958 52.037 -0.111 0.000 0.638 134 A CB -0.578 18.377 19.000 -0.075 0.000 0.812 134 A HN 0.387 nan 8.150 nan 0.000 0.446 135 S N -0.340 115.297 115.700 -0.104 0.000 2.383 135 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 135 S C 2.115 176.648 174.600 -0.111 0.000 1.026 135 S CA 1.494 59.642 58.200 -0.088 0.000 0.981 135 S CB -0.350 62.837 63.200 -0.021 0.000 0.818 135 S HN 0.745 nan 8.310 nan 0.000 0.472 136 A N 0.870 123.635 122.820 -0.093 0.000 1.930 136 A HA 0.394 4.714 4.320 -0.000 0.000 0.215 136 A C 2.370 179.883 177.584 -0.118 0.000 1.176 136 A CA 1.451 53.438 52.037 -0.082 0.000 0.632 136 A CB -1.103 17.871 19.000 -0.042 0.000 0.819 136 A HN 0.666 nan 8.150 nan 0.000 0.445 137 A N -0.316 122.414 122.820 -0.150 0.000 1.929 137 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 137 A C 2.069 179.516 177.584 -0.229 0.000 1.176 137 A CA 1.273 53.209 52.037 -0.169 0.000 0.628 137 A CB -0.508 18.387 19.000 -0.175 0.000 0.816 137 A HN 0.433 nan 8.150 nan 0.000 0.444 138 L N -0.396 120.608 121.223 -0.366 0.000 2.291 138 L HA -0.080 4.260 4.340 -0.000 0.000 0.214 138 L C 2.509 179.102 176.870 -0.462 0.000 1.120 138 L CA 1.113 55.595 54.840 -0.596 0.000 0.799 138 L CB -0.081 41.208 42.059 -1.283 0.000 0.925 138 L HN 0.297 nan 8.230 nan 0.000 0.446 139 S N -0.501 115.036 115.700 -0.272 0.000 2.439 139 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 139 S C 1.756 176.306 174.600 -0.084 0.000 1.029 139 S CA 0.571 58.708 58.200 -0.105 0.000 0.946 139 S CB 0.078 63.253 63.200 -0.043 0.000 0.797 139 S HN 0.287 nan 8.310 nan 0.000 0.504 140 L N 1.824 122.993 121.223 -0.091 0.000 2.509 140 L HA 0.071 4.411 4.340 -0.000 0.000 0.222 140 L C 2.364 179.213 176.870 -0.035 0.000 1.123 140 L CA 0.459 55.270 54.840 -0.050 0.000 0.856 140 L CB -0.328 41.706 42.059 -0.041 0.000 0.985 140 L HN 0.361 nan 8.230 nan 0.000 0.456 141 S N -0.662 114.993 115.700 -0.075 0.000 2.387 141 S HA 0.013 4.483 4.470 -0.000 0.000 0.226 141 S C 1.768 176.377 174.600 0.014 0.000 1.026 141 S CA 0.891 59.062 58.200 -0.047 0.000 0.972 141 S CB 0.020 63.142 63.200 -0.129 0.000 0.814 141 S HN 0.470 nan 8.310 nan 0.000 0.477 142 G N 1.084 109.854 108.800 -0.050 0.000 2.232 142 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.226 142 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.226 142 G C 0.079 174.816 174.900 -0.272 0.000 0.996 142 G CA -0.110 45.008 45.100 0.029 0.000 0.626 142 G HN 0.583 nan 8.290 nan 0.000 0.509 143 I N 3.847 124.012 120.570 -0.675 0.000 2.668 143 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 143 I C -1.404 174.372 176.117 -0.568 0.000 1.168 143 I CA -1.459 59.219 61.300 -1.037 0.000 1.424 143 I CB 0.412 37.903 38.000 -0.847 0.000 1.377 143 I HN -0.046 nan 8.210 nan 0.000 0.560 144 P HA -0.082 nan 4.420 nan 0.000 0.253 144 P C -0.836 176.199 177.300 -0.442 0.000 1.170 144 P CA 0.693 63.531 63.100 -0.437 0.000 0.806 144 P CB -0.163 31.200 31.700 -0.562 0.000 0.775 145 F N 4.057 123.711 119.950 -0.494 0.000 2.585 145 F HA 0.301 4.828 4.527 -0.000 0.000 0.319 145 F C 0.200 175.774 175.800 -0.376 0.000 1.165 145 F CA -0.845 56.808 58.000 -0.578 0.000 0.949 145 F CB 1.514 40.155 39.000 -0.599 0.000 1.218 145 F HN 0.016 nan 8.300 nan 0.000 0.453 146 N N 4.015 122.207 118.700 -0.846 0.000 2.466 146 N HA 0.166 4.906 4.740 -0.000 0.000 0.251 146 N C 0.576 175.727 175.510 -0.598 0.000 1.164 146 N CA 0.220 52.934 53.050 -0.560 0.000 0.888 146 N CB 0.608 38.845 38.487 -0.417 0.000 1.177 146 N HN 0.801 nan 8.380 nan 0.000 0.498 147 G N 1.124 109.523 108.800 -0.668 0.000 2.714 147 G HA2 0.374 4.334 3.960 -0.000 0.000 0.197 147 G HA3 0.374 4.334 3.960 -0.000 0.000 0.197 147 G C -2.254 172.578 174.900 -0.112 0.000 1.449 147 G CA -0.402 44.505 45.100 -0.321 0.000 1.065 147 G HN 0.100 nan 8.290 nan 0.000 0.575 148 P HA 0.467 nan 4.420 nan 0.000 0.280 148 P C -0.515 176.782 177.300 -0.005 0.000 1.272 148 P CA -0.568 62.563 63.100 0.052 0.000 0.819 148 P CB 1.333 33.040 31.700 0.011 0.000 1.122 149 I N -3.028 117.561 120.570 0.032 0.000 2.707 149 I HA 0.842 5.012 4.170 -0.000 0.000 0.309 149 I C 0.142 176.238 176.117 -0.035 0.000 1.001 149 I CA -1.051 60.246 61.300 -0.004 0.000 1.129 149 I CB 1.897 39.914 38.000 0.029 0.000 1.308 149 I HN 0.286 nan 8.210 nan 0.000 0.466 150 G N 2.302 111.070 108.800 -0.052 0.000 2.416 150 G HA2 0.705 4.665 3.960 -0.000 0.000 0.329 150 G HA3 0.705 4.665 3.960 -0.000 0.000 0.329 150 G C -1.139 173.742 174.900 -0.032 0.000 1.173 150 G CA -0.875 44.177 45.100 -0.080 0.000 0.929 150 G HN 0.973 nan 8.290 nan 0.000 0.475 151 A N 0.619 123.424 122.820 -0.026 0.000 2.271 151 A HA 0.848 5.168 4.320 -0.000 0.000 0.317 151 A C 0.141 177.796 177.584 0.119 0.000 1.245 151 A CA -0.160 51.897 52.037 0.033 0.000 0.857 151 A CB 0.959 19.976 19.000 0.028 0.000 1.175 151 A HN 1.834 nan 8.150 nan 0.000 0.512 152 A N 2.954 125.848 122.820 0.123 0.000 2.374 152 A HA 0.771 5.091 4.320 -0.000 0.000 0.305 152 A C -0.272 177.384 177.584 0.120 0.000 1.053 152 A CA -0.629 51.515 52.037 0.177 0.000 0.726 152 A CB 1.068 20.162 19.000 0.157 0.000 1.229 152 A HN 0.864 nan 8.150 nan 0.000 0.431 153 R N 1.825 122.395 120.500 0.116 0.000 2.393 153 R HA 0.635 4.975 4.340 -0.000 0.000 0.315 153 R C -1.069 175.303 176.300 0.120 0.000 0.952 153 R CA -0.355 55.800 56.100 0.092 0.000 0.842 153 R CB 1.436 31.774 30.300 0.062 0.000 1.163 153 R HN 0.824 nan 8.270 nan 0.000 0.450 154 V N 0.511 120.511 119.914 0.144 0.000 2.864 154 V HA 0.942 5.062 4.120 -0.000 0.000 0.314 154 V C -0.143 176.054 176.094 0.172 0.000 1.073 154 V CA -0.734 61.688 62.300 0.204 0.000 0.956 154 V CB 1.878 33.889 31.823 0.314 0.000 1.023 154 V HN 0.799 nan 8.190 nan 0.000 0.435 155 G N 0.949 109.853 108.800 0.174 0.000 2.519 155 G HA2 0.567 4.527 3.960 -0.000 0.000 0.307 155 G HA3 0.567 4.527 3.960 -0.000 0.000 0.307 155 G C -2.121 172.877 174.900 0.163 0.000 1.266 155 G CA -0.693 44.493 45.100 0.143 0.000 0.970 155 G HN 0.865 nan 8.290 nan 0.000 0.481 156 Y N 2.200 122.488 120.300 -0.019 0.000 2.717 156 Y HA 0.574 5.124 4.550 -0.000 0.000 0.329 156 Y C -0.138 175.696 175.900 -0.110 0.000 1.017 156 Y CA -1.028 57.006 58.100 -0.110 0.000 1.275 156 Y CB 0.370 38.764 38.460 -0.108 0.000 1.109 156 Y HN 0.288 nan 8.280 nan 0.000 0.511 157 I N 4.865 125.249 120.570 -0.309 0.000 2.378 157 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 157 I C -0.197 175.700 176.117 -0.367 0.000 0.992 157 I CA -0.950 60.201 61.300 -0.249 0.000 1.154 157 I CB 1.243 39.161 38.000 -0.137 0.000 1.315 157 I HN 0.522 nan 8.210 nan 0.000 0.448 158 N N 4.657 123.178 118.700 -0.300 0.000 2.725 158 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 158 N C -0.497 174.775 175.510 -0.397 0.000 1.031 158 N CA 1.024 53.911 53.050 -0.271 0.000 0.720 158 N CB -1.032 37.345 38.487 -0.184 0.000 0.930 158 N HN 0.746 nan 8.380 nan 0.000 0.543 159 D N -1.703 118.312 120.400 -0.643 0.000 2.772 159 D HA -0.221 4.419 4.640 -0.000 0.000 0.233 159 D C -0.009 175.777 176.300 -0.857 0.000 1.143 159 D CA 1.429 54.954 54.000 -0.792 0.000 0.700 159 D CB -0.728 39.906 40.800 -0.276 0.000 1.076 159 D HN 0.684 nan 8.370 nan 0.000 0.430 160 Q N -0.932 118.241 119.800 -1.045 0.000 2.340 160 Q HA 0.446 4.786 4.340 -0.000 0.000 0.276 160 Q C -1.447 174.124 176.000 -0.714 0.000 1.048 160 Q CA -0.675 54.691 55.803 -0.729 0.000 0.832 160 Q CB 1.228 29.738 28.738 -0.379 0.000 1.373 160 Q HN 0.113 nan 8.270 nan 0.000 0.409 161 Y N 0.937 121.006 120.300 -0.385 0.000 2.335 161 Y HA 0.544 5.094 4.550 -0.000 0.000 0.331 161 Y C -0.116 175.573 175.900 -0.351 0.000 1.094 161 Y CA -0.584 57.252 58.100 -0.438 0.000 1.253 161 Y CB 1.029 38.899 38.460 -0.983 0.000 1.203 161 Y HN 0.249 nan 8.280 nan 0.000 0.508 162 V N 5.290 125.221 119.914 0.028 0.000 2.487 162 V HA 0.233 4.353 4.120 -0.000 0.000 0.298 162 V C -0.578 175.646 176.094 0.217 0.000 1.028 162 V CA -0.927 61.434 62.300 0.102 0.000 0.860 162 V CB 1.693 33.536 31.823 0.032 0.000 0.991 162 V HN 0.553 nan 8.190 nan 0.000 0.427 163 L N 5.662 127.049 121.223 0.274 0.000 2.331 163 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 163 L C 0.589 177.502 176.870 0.071 0.000 1.106 163 L CA 0.555 55.513 54.840 0.196 0.000 0.824 163 L CB 0.129 42.252 42.059 0.107 0.000 1.142 163 L HN 0.781 nan 8.230 nan 0.000 0.443 164 N N 3.494 122.226 118.700 0.055 0.000 2.586 164 N HA -0.144 4.596 4.740 -0.000 0.000 0.282 164 N C -2.451 173.110 175.510 0.085 0.000 1.171 164 N CA 0.562 53.638 53.050 0.044 0.000 0.733 164 N CB -1.069 37.414 38.487 -0.008 0.000 0.910 164 N HN 0.489 nan 8.380 nan 0.000 0.548 165 P HA 0.156 nan 4.420 nan 0.000 0.278 165 P C 0.484 177.820 177.300 0.060 0.000 1.238 165 P CA -0.203 62.936 63.100 0.065 0.000 0.794 165 P CB 0.740 32.471 31.700 0.053 0.000 0.955 166 T N -1.006 113.585 114.554 0.062 0.000 2.771 166 T HA 0.067 4.417 4.350 -0.000 0.000 0.290 166 T C 1.328 176.048 174.700 0.033 0.000 1.005 166 T CA -0.078 62.054 62.100 0.052 0.000 0.944 166 T CB 0.243 69.147 68.868 0.061 0.000 1.147 166 T HN 0.246 nan 8.240 nan 0.000 0.534 167 Q N 0.112 119.928 119.800 0.027 0.000 2.170 167 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 167 Q C 1.595 177.606 176.000 0.019 0.000 0.976 167 Q CA 1.867 57.683 55.803 0.021 0.000 0.858 167 Q CB -0.585 28.165 28.738 0.019 0.000 0.907 167 Q HN 0.718 nan 8.270 nan 0.000 0.433 168 D N -0.433 119.979 120.400 0.019 0.000 2.194 168 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 168 D C 1.202 177.509 176.300 0.012 0.000 0.964 168 D CA 0.743 54.752 54.000 0.014 0.000 0.846 168 D CB 0.053 40.860 40.800 0.012 0.000 0.962 168 D HN 0.458 nan 8.370 nan 0.000 0.490 169 E N 0.046 120.256 120.200 0.016 0.000 2.285 169 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 169 E C 2.002 178.612 176.600 0.015 0.000 0.997 169 E CA 0.104 56.512 56.400 0.013 0.000 0.845 169 E CB 0.139 29.851 29.700 0.019 0.000 0.782 169 E HN 0.249 nan 8.360 nan 0.000 0.491 170 L N 0.793 122.028 121.223 0.020 0.000 2.217 170 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 170 L C 2.142 179.022 176.870 0.017 0.000 1.107 170 L CA 0.971 55.824 54.840 0.022 0.000 0.783 170 L CB -0.086 41.987 42.059 0.023 0.000 0.919 170 L HN 0.011 nan 8.230 nan 0.000 0.442 171 K N -0.373 120.035 120.400 0.013 0.000 2.097 171 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 171 K C 1.819 178.422 176.600 0.006 0.000 1.050 171 K CA 0.841 57.134 56.287 0.010 0.000 0.938 171 K CB 0.069 32.575 32.500 0.009 0.000 0.718 171 K HN 0.204 nan 8.250 nan 0.000 0.442 172 E N 0.721 120.922 120.200 0.002 0.000 2.371 172 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 172 E C 0.663 177.259 176.600 -0.006 0.000 1.012 172 E CA 0.168 56.564 56.400 -0.006 0.000 0.860 172 E CB 0.254 29.945 29.700 -0.015 0.000 0.811 172 E HN 0.019 nan 8.360 nan 0.000 0.502 173 S N 0.501 116.204 115.700 0.006 0.000 2.585 173 S HA 0.055 4.525 4.470 -0.000 0.000 0.273 173 S C 0.981 175.604 174.600 0.039 0.000 1.339 173 S CA -0.138 58.075 58.200 0.021 0.000 1.028 173 S CB 1.598 64.820 63.200 0.036 0.000 0.906 173 S HN -0.045 nan 8.310 nan 0.000 0.528 174 K N 2.662 123.108 120.400 0.078 0.000 2.348 174 K HA 0.375 4.695 4.320 -0.000 0.000 0.194 174 K C 0.333 176.974 176.600 0.068 0.000 1.052 174 K CA 0.155 56.492 56.287 0.083 0.000 1.004 174 K CB -0.393 32.193 32.500 0.143 0.000 0.873 174 K HN 0.656 nan 8.250 nan 0.000 0.523 175 L N 0.468 121.749 121.223 0.097 0.000 2.381 175 L HA 0.609 4.949 4.340 -0.000 0.000 0.268 175 L C -1.989 174.921 176.870 0.065 0.000 0.997 175 L CA -0.536 54.342 54.840 0.062 0.000 0.818 175 L CB 2.345 44.440 42.059 0.059 0.000 1.310 175 L HN 0.011 nan 8.230 nan 0.000 0.416 176 D N 4.454 124.876 120.400 0.037 0.000 2.479 176 D HA 0.489 5.129 4.640 -0.000 0.000 0.246 176 D C -1.663 174.648 176.300 0.019 0.000 1.336 176 D CA -0.184 53.837 54.000 0.034 0.000 0.967 176 D CB 1.440 42.253 40.800 0.020 0.000 1.275 176 D HN 0.512 nan 8.370 nan 0.000 0.577 177 L N 1.108 122.351 121.223 0.034 0.000 2.409 177 L HA 0.831 5.171 4.340 -0.000 0.000 0.262 177 L C -1.564 175.322 176.870 0.026 0.000 0.992 177 L CA -0.999 53.851 54.840 0.016 0.000 0.817 177 L CB 2.029 44.096 42.059 0.013 0.000 1.350 177 L HN -0.008 nan 8.230 nan 0.000 0.411 178 V N 2.690 122.606 119.914 0.005 0.000 2.357 178 V HA 0.654 4.774 4.120 -0.000 0.000 0.284 178 V C -0.385 175.713 176.094 0.007 0.000 1.018 178 V CA -0.576 61.730 62.300 0.011 0.000 0.841 178 V CB 1.554 33.370 31.823 -0.011 0.000 0.991 178 V HN 0.720 nan 8.190 nan 0.000 0.437 179 V N 5.147 125.079 119.914 0.030 0.000 2.459 179 V HA 0.944 5.064 4.120 -0.000 0.000 0.295 179 V C 0.073 176.192 176.094 0.041 0.000 1.029 179 V CA -0.099 62.220 62.300 0.031 0.000 0.874 179 V CB 1.612 33.465 31.823 0.050 0.000 0.985 179 V HN 1.067 nan 8.190 nan 0.000 0.438 180 A N 4.558 127.397 122.820 0.031 0.000 2.386 180 A HA 1.053 5.373 4.320 -0.000 0.000 0.311 180 A C -0.029 177.588 177.584 0.054 0.000 1.068 180 A CA 0.032 52.090 52.037 0.034 0.000 0.743 180 A CB 1.861 20.871 19.000 0.016 0.000 1.258 180 A HN 1.913 nan 8.150 nan 0.000 0.429 181 G N -0.252 108.588 108.800 0.065 0.000 2.466 181 G HA2 0.606 4.566 3.960 -0.000 0.000 0.291 181 G HA3 0.606 4.566 3.960 -0.000 0.000 0.291 181 G C -0.323 174.608 174.900 0.051 0.000 1.460 181 G CA 0.261 45.416 45.100 0.091 0.000 0.791 181 G HN 1.341 nan 8.290 nan 0.000 0.505 182 T N -2.203 112.376 114.554 0.041 0.000 2.865 182 T HA 0.412 4.762 4.350 -0.000 0.000 0.302 182 T C 1.275 175.965 174.700 -0.018 0.000 1.078 182 T CA 0.561 62.650 62.100 -0.020 0.000 0.942 182 T CB 1.324 70.155 68.868 -0.062 0.000 1.387 182 T HN 0.637 nan 8.240 nan 0.000 0.557 183 E N -0.111 120.054 120.200 -0.058 0.000 2.150 183 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 183 E C 2.020 178.616 176.600 -0.007 0.000 0.985 183 E CA 0.909 57.262 56.400 -0.079 0.000 0.814 183 E CB -0.386 29.265 29.700 -0.081 0.000 0.752 183 E HN 0.699 nan 8.360 nan 0.000 0.466 184 A N 0.377 123.216 122.820 0.032 0.000 1.942 184 A HA 0.531 4.851 4.320 -0.000 0.000 0.209 184 A C 0.925 178.563 177.584 0.090 0.000 1.214 184 A CA 0.606 52.673 52.037 0.049 0.000 0.686 184 A CB 0.344 19.341 19.000 -0.005 0.000 0.871 184 A HN 0.264 nan 8.150 nan 0.000 0.460 185 A N -0.937 121.933 122.820 0.083 0.000 2.515 185 A HA 0.628 4.948 4.320 -0.000 0.000 0.296 185 A C -0.574 176.999 177.584 -0.019 0.000 1.094 185 A CA -0.443 51.578 52.037 -0.025 0.000 0.718 185 A CB 0.958 19.924 19.000 -0.056 0.000 1.307 185 A HN 0.412 nan 8.150 nan 0.000 0.408 186 V N 1.188 120.981 119.914 -0.200 0.000 2.834 186 V HA 0.328 4.448 4.120 -0.000 0.000 0.301 186 V C 0.782 176.847 176.094 -0.048 0.000 1.066 186 V CA 0.062 62.288 62.300 -0.123 0.000 1.052 186 V CB 1.036 32.740 31.823 -0.198 0.000 1.021 186 V HN 0.861 nan 8.190 nan 0.000 0.480 187 L N 1.786 123.000 121.223 -0.015 0.000 2.713 187 L HA 0.447 4.787 4.340 -0.000 0.000 0.223 187 L C 0.379 177.242 176.870 -0.013 0.000 1.040 187 L CA 0.407 55.238 54.840 -0.014 0.000 0.894 187 L CB 0.577 42.629 42.059 -0.012 0.000 1.361 187 L HN 0.595 nan 8.230 nan 0.000 0.490 188 M N 0.087 119.679 119.600 -0.014 0.000 2.593 188 M HA 0.668 5.148 4.480 -0.000 0.000 0.290 188 M C -2.069 174.206 176.300 -0.041 0.000 1.244 188 M CA -0.588 54.694 55.300 -0.030 0.000 0.857 188 M CB 2.964 35.551 32.600 -0.022 0.000 1.738 188 M HN -0.254 nan 8.290 nan 0.000 0.461 189 V N 2.151 122.023 119.914 -0.070 0.000 2.817 189 V HA 0.495 4.615 4.120 -0.000 0.000 0.303 189 V C -1.699 174.335 176.094 -0.100 0.000 1.151 189 V CA -0.534 61.718 62.300 -0.080 0.000 0.929 189 V CB 2.128 33.886 31.823 -0.107 0.000 1.030 189 V HN 0.868 nan 8.190 nan 0.000 0.427 190 E N 2.913 123.065 120.200 -0.081 0.000 2.283 190 E HA 0.735 5.085 4.350 -0.000 0.000 0.258 190 E C -0.803 175.755 176.600 -0.071 0.000 0.893 190 E CA -0.147 56.200 56.400 -0.088 0.000 0.798 190 E CB 1.928 31.577 29.700 -0.085 0.000 1.242 190 E HN 0.889 nan 8.360 nan 0.000 0.414 191 S N 2.882 118.534 115.700 -0.080 0.000 2.618 191 S HA 0.866 5.336 4.470 -0.000 0.000 0.277 191 S C -0.868 173.693 174.600 -0.064 0.000 1.138 191 S CA -0.921 57.243 58.200 -0.061 0.000 0.844 191 S CB 1.673 64.837 63.200 -0.059 0.000 1.127 191 S HN 0.503 nan 8.310 nan 0.000 0.474 192 E N 0.039 120.210 120.200 -0.048 0.000 2.413 192 E HA 0.791 5.141 4.350 -0.000 0.000 0.277 192 E C -1.213 175.364 176.600 -0.039 0.000 0.958 192 E CA -1.620 54.749 56.400 -0.051 0.000 0.779 192 E CB 1.748 31.420 29.700 -0.046 0.000 1.278 192 E HN 1.245 nan 8.360 nan 0.000 0.456 193 A N 1.288 124.082 122.820 -0.044 0.000 2.599 193 A HA 0.304 4.624 4.320 -0.000 0.000 0.294 193 A C -1.431 176.128 177.584 -0.041 0.000 1.055 193 A CA -0.827 51.188 52.037 -0.038 0.000 0.683 193 A CB 1.779 20.747 19.000 -0.054 0.000 1.278 193 A HN 0.564 nan 8.150 nan 0.000 0.412 194 Q N 1.185 120.967 119.800 -0.030 0.000 2.837 194 Q HA 0.418 4.758 4.340 -0.000 0.000 0.235 194 Q C -0.948 175.033 176.000 -0.032 0.000 1.348 194 Q CA -0.393 55.392 55.803 -0.029 0.000 0.990 194 Q CB -0.283 28.447 28.738 -0.014 0.000 1.570 194 Q HN 0.652 nan 8.270 nan 0.000 0.575 195 L N 1.569 122.767 121.223 -0.041 0.000 3.746 195 L HA -0.271 4.069 4.340 -0.000 0.000 0.542 195 L C -0.788 176.056 176.870 -0.044 0.000 1.268 195 L CA 0.905 55.721 54.840 -0.039 0.000 0.818 195 L CB -1.502 40.538 42.059 -0.031 0.000 1.472 195 L HN 0.592 nan 8.230 nan 0.000 0.843 196 L N -0.945 120.239 121.223 -0.065 0.000 2.375 196 L HA 0.591 4.931 4.340 -0.000 0.000 0.268 196 L C 1.100 177.925 176.870 -0.075 0.000 1.058 196 L CA -0.320 54.463 54.840 -0.095 0.000 0.803 196 L CB 1.819 43.769 42.059 -0.181 0.000 1.212 196 L HN 0.352 nan 8.230 nan 0.000 0.451 197 S N -0.030 115.625 115.700 -0.075 0.000 2.608 197 S HA 0.046 4.516 4.470 -0.000 0.000 0.261 197 S C 0.903 175.482 174.600 -0.035 0.000 1.314 197 S CA -0.306 57.869 58.200 -0.041 0.000 0.992 197 S CB 0.925 64.109 63.200 -0.026 0.000 0.935 197 S HN 0.641 nan 8.310 nan 0.000 0.564 198 E N 1.221 121.416 120.200 -0.008 0.000 2.077 198 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 198 E C 1.402 178.010 176.600 0.014 0.000 0.989 198 E CA 1.627 58.033 56.400 0.011 0.000 0.800 198 E CB -0.056 29.657 29.700 0.022 0.000 0.746 198 E HN 0.559 nan 8.360 nan 0.000 0.452 199 D N 0.207 120.615 120.400 0.014 0.000 2.224 199 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 199 D C 1.750 178.079 176.300 0.047 0.000 0.965 199 D CA 0.799 54.818 54.000 0.033 0.000 0.852 199 D CB -0.030 40.794 40.800 0.039 0.000 0.947 199 D HN 0.307 nan 8.370 nan 0.000 0.494 200 Q N -0.510 119.288 119.800 -0.004 0.000 2.137 200 Q HA 0.022 4.362 4.340 -0.000 0.000 0.198 200 Q C 2.136 178.106 176.000 -0.050 0.000 0.960 200 Q CA 0.622 56.386 55.803 -0.064 0.000 0.847 200 Q CB 0.145 28.693 28.738 -0.317 0.000 0.915 200 Q HN 0.183 nan 8.270 nan 0.000 0.448 201 M N 0.134 119.701 119.600 -0.055 0.000 2.156 201 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 201 M C 2.190 178.494 176.300 0.005 0.000 1.067 201 M CA 1.133 56.412 55.300 -0.034 0.000 1.131 201 M CB -0.654 31.926 32.600 -0.033 0.000 1.368 201 M HN 0.259 nan 8.290 nan 0.000 0.416 202 L N -0.041 121.196 121.223 0.023 0.000 2.156 202 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 202 L C 2.291 179.163 176.870 0.003 0.000 1.095 202 L CA 1.223 56.081 54.840 0.030 0.000 0.770 202 L CB -0.645 41.440 42.059 0.043 0.000 0.914 202 L HN 0.325 nan 8.230 nan 0.000 0.439 203 G N -0.863 107.941 108.800 0.007 0.000 2.432 203 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 203 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 203 G C 1.565 176.265 174.900 -0.333 0.000 1.135 203 G CA 0.654 45.707 45.100 -0.078 0.000 0.767 203 G HN 0.542 nan 8.290 nan 0.000 0.550 204 A N -0.007 122.696 122.820 -0.195 0.000 2.014 204 A HA 0.226 4.546 4.320 -0.000 0.000 0.218 204 A C 2.523 180.107 177.584 0.000 0.000 1.163 204 A CA 1.425 53.376 52.037 -0.143 0.000 0.652 204 A CB -0.260 18.818 19.000 0.129 0.000 0.808 204 A HN 0.224 nan 8.150 nan 0.000 0.449 205 V N -0.393 119.521 119.914 0.000 0.000 2.379 205 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 205 V C 2.527 178.643 176.094 0.037 0.000 1.044 205 V CA 1.901 64.214 62.300 0.021 0.000 1.036 205 V CB -0.665 31.160 31.823 0.003 0.000 0.664 205 V HN 0.362 nan 8.190 nan 0.000 0.453 206 V N -0.616 119.307 119.914 0.014 0.000 2.358 206 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 206 V C 2.172 178.309 176.094 0.070 0.000 1.047 206 V CA 2.155 64.478 62.300 0.038 0.000 1.035 206 V CB -0.764 31.066 31.823 0.012 0.000 0.658 206 V HN 0.544 nan 8.190 nan 0.000 0.452 207 F N 2.170 122.035 119.950 -0.141 0.000 2.134 207 F HA -0.051 4.476 4.527 0.000 0.000 0.299 207 F C 2.182 177.960 175.800 -0.037 0.000 1.097 207 F CA 1.701 59.614 58.000 -0.145 0.000 1.264 207 F CB -0.722 38.063 39.000 -0.359 0.000 1.001 207 F HN 0.144 nan 8.300 nan 0.000 0.479 208 G N -1.274 107.561 108.800 0.059 0.000 2.408 208 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.217 208 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.217 208 G C 1.772 176.677 174.900 0.007 0.000 1.150 208 G CA 0.878 45.995 45.100 0.028 0.000 0.776 208 G HN 0.542 nan 8.290 nan 0.000 0.542 209 H N 0.682 119.719 119.070 -0.055 0.000 2.423 209 H HA 0.047 4.603 4.556 -0.000 0.000 0.297 209 H C 2.209 177.490 175.328 -0.079 0.000 1.075 209 H CA 1.476 57.492 56.048 -0.053 0.000 1.342 209 H CB 0.250 29.988 29.762 -0.041 0.000 1.395 209 H HN 0.461 nan 8.280 nan 0.000 0.530 210 E N -0.203 119.921 120.200 -0.127 0.000 2.158 210 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 210 E C 2.287 178.759 176.600 -0.213 0.000 0.982 210 E CA 0.247 56.537 56.400 -0.183 0.000 0.823 210 E CB 0.290 29.908 29.700 -0.137 0.000 0.766 210 E HN 0.438 nan 8.360 nan 0.000 0.468 211 Q N 0.416 120.062 119.800 -0.257 0.000 2.245 211 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 211 Q C 1.919 177.953 176.000 0.057 0.000 0.955 211 Q CA 0.884 56.588 55.803 -0.166 0.000 0.870 211 Q CB 0.111 28.662 28.738 -0.312 0.000 0.945 211 Q HN 0.494 nan 8.270 nan 0.000 0.461 212 Q N -0.500 119.296 119.800 -0.007 0.000 2.482 212 Q HA -0.017 4.323 4.340 -0.000 0.000 0.209 212 Q C 1.351 177.256 176.000 -0.157 0.000 0.961 212 Q CA 0.276 56.056 55.803 -0.039 0.000 0.945 212 Q CB 0.146 28.856 28.738 -0.047 0.000 1.012 212 Q HN 0.116 nan 8.270 nan 0.000 0.515 213 Q N 0.662 120.367 119.800 -0.159 0.000 2.167 213 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 213 Q C 2.110 178.014 176.000 -0.160 0.000 0.970 213 Q CA 1.165 56.860 55.803 -0.180 0.000 0.855 213 Q CB -0.169 28.465 28.738 -0.174 0.000 0.911 213 Q HN 0.372 nan 8.270 nan 0.000 0.438 214 V N 0.333 120.178 119.914 -0.114 0.000 2.809 214 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 214 V C 2.090 178.012 176.094 -0.286 0.000 1.080 214 V CA 0.849 63.075 62.300 -0.122 0.000 1.102 214 V CB -0.047 31.802 31.823 0.043 0.000 0.705 214 V HN 0.084 nan 8.190 nan 0.000 0.475 215 V N 0.192 119.926 119.914 -0.300 0.000 2.323 215 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 215 V C 2.205 178.104 176.094 -0.325 0.000 1.041 215 V CA 2.359 64.450 62.300 -0.349 0.000 1.025 215 V CB -0.441 31.154 31.823 -0.381 0.000 0.656 215 V HN 0.495 nan 8.190 nan 0.000 0.451 216 I N -0.166 120.257 120.570 -0.245 0.000 2.286 216 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 216 I C 2.595 178.590 176.117 -0.203 0.000 1.115 216 I CA 1.526 62.712 61.300 -0.190 0.000 1.392 216 I CB -0.464 37.440 38.000 -0.159 0.000 1.065 216 I HN 0.343 nan 8.210 nan 0.000 0.418 217 Q N 0.406 120.068 119.800 -0.230 0.000 2.224 217 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 217 Q C 1.861 177.704 176.000 -0.262 0.000 0.970 217 Q CA 1.019 56.696 55.803 -0.210 0.000 0.865 217 Q CB -0.142 28.487 28.738 -0.182 0.000 0.922 217 Q HN 0.562 nan 8.270 nan 0.000 0.445 218 N N 0.232 118.679 118.700 -0.422 0.000 2.376 218 N HA -0.005 4.735 4.740 -0.000 0.000 0.177 218 N C 1.707 177.033 175.510 -0.307 0.000 1.024 218 N CA 0.665 53.415 53.050 -0.500 0.000 0.893 218 N CB 0.221 38.011 38.487 -1.161 0.000 0.980 218 N HN 0.244 nan 8.380 nan 0.000 0.439 219 I N 1.399 121.820 120.570 -0.249 0.000 2.286 219 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 219 I C 1.892 177.946 176.117 -0.105 0.000 1.104 219 I CA 0.749 61.967 61.300 -0.137 0.000 1.397 219 I CB -0.237 37.699 38.000 -0.107 0.000 1.072 219 I HN 0.040 nan 8.210 nan 0.000 0.417 220 N N 0.749 119.381 118.700 -0.113 0.000 2.166 220 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 220 N C 1.702 177.167 175.510 -0.075 0.000 1.019 220 N CA 1.187 54.186 53.050 -0.086 0.000 0.856 220 N CB -0.163 38.270 38.487 -0.089 0.000 0.993 220 N HN 0.375 nan 8.380 nan 0.000 0.426 221 E N 0.797 120.942 120.200 -0.092 0.000 2.216 221 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 221 E C 2.086 178.654 176.600 -0.053 0.000 0.988 221 E CA 0.059 56.415 56.400 -0.072 0.000 0.834 221 E CB -0.116 29.533 29.700 -0.085 0.000 0.772 221 E HN 0.355 nan 8.360 nan 0.000 0.479 222 L N 0.303 121.491 121.223 -0.058 0.000 2.131 222 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 222 L C 2.181 179.037 176.870 -0.024 0.000 1.087 222 L CA 0.483 55.303 54.840 -0.033 0.000 0.767 222 L CB 0.124 42.165 42.059 -0.029 0.000 0.917 222 L HN -0.073 nan 8.230 nan 0.000 0.441 223 V N -0.175 119.720 119.914 -0.032 0.000 2.427 223 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 223 V C 2.434 178.520 176.094 -0.015 0.000 1.051 223 V CA 1.836 64.123 62.300 -0.022 0.000 1.048 223 V CB -0.562 31.244 31.823 -0.028 0.000 0.666 223 V HN 0.438 nan 8.190 nan 0.000 0.456 224 K N -0.008 120.380 120.400 -0.021 0.000 2.211 224 K HA -0.214 4.106 4.320 -0.000 0.000 0.203 224 K C 2.137 178.732 176.600 -0.009 0.000 1.050 224 K CA 1.691 57.969 56.287 -0.015 0.000 0.945 224 K CB 0.093 32.580 32.500 -0.023 0.000 0.732 224 K HN 0.629 nan 8.250 nan 0.000 0.451 225 E N -0.481 119.713 120.200 -0.009 0.000 2.024 225 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 225 E C -0.359 176.243 176.600 0.004 0.000 0.974 225 E CA 0.780 57.178 56.400 -0.003 0.000 0.810 225 E CB 0.187 29.886 29.700 -0.003 0.000 0.775 225 E HN 0.232 nan 8.360 nan 0.000 0.453 226 A N 1.008 123.831 122.820 0.005 0.000 3.216 226 A HA 0.571 4.891 4.320 -0.000 0.000 0.321 226 A C -0.277 177.314 177.584 0.012 0.000 1.042 226 A CA -0.081 51.963 52.037 0.012 0.000 0.838 226 A CB 0.897 19.906 19.000 0.015 0.000 1.136 226 A HN 0.235 nan 8.150 nan 0.000 0.483 227 G N 0.431 109.238 108.800 0.013 0.000 2.524 227 G HA2 0.538 4.498 3.960 -0.000 0.000 0.310 227 G HA3 0.538 4.498 3.960 -0.000 0.000 0.310 227 G C -0.602 174.316 174.900 0.030 0.000 1.279 227 G CA -0.727 44.382 45.100 0.015 0.000 0.974 227 G HN 0.429 nan 8.290 nan 0.000 0.484 228 K N 1.676 122.101 120.400 0.042 0.000 2.350 228 K HA 0.226 4.546 4.320 -0.000 0.000 0.279 228 K C -2.075 174.576 176.600 0.086 0.000 1.027 228 K CA -0.913 55.416 56.287 0.070 0.000 0.969 228 K CB 0.795 33.354 32.500 0.098 0.000 0.954 228 K HN 0.245 nan 8.250 nan 0.000 0.474 229 P HA 0.003 nan 4.420 nan 0.000 0.267 229 P C -0.572 176.826 177.300 0.163 0.000 1.200 229 P CA 0.073 63.232 63.100 0.099 0.000 0.772 229 P CB 0.497 32.245 31.700 0.081 0.000 0.855 230 R N 1.368 121.957 120.500 0.147 0.000 2.623 230 R HA 0.058 4.398 4.340 -0.000 0.000 0.271 230 R C -0.112 176.383 176.300 0.324 0.000 1.043 230 R CA -0.066 56.153 56.100 0.199 0.000 1.083 230 R CB 0.151 30.527 30.300 0.127 0.000 0.974 230 R HN 0.478 nan 8.270 nan 0.000 0.436 231 W N 1.535 122.881 121.300 0.076 0.000 2.193 231 W HA -0.051 4.609 4.660 -0.000 0.000 0.338 231 W C 0.614 177.233 176.519 0.166 0.000 1.310 231 W CA -0.191 57.228 57.345 0.123 0.000 1.243 231 W CB 0.031 29.580 29.460 0.149 0.000 1.165 231 W HN 0.486 nan 8.180 nan 0.000 0.566 232 D N 3.001 123.575 120.400 0.290 0.000 2.545 232 D HA 0.055 4.695 4.640 -0.000 0.000 0.227 232 D C -1.126 175.370 176.300 0.326 0.000 1.150 232 D CA 0.049 54.182 54.000 0.221 0.000 1.046 232 D CB -0.520 40.337 40.800 0.095 0.000 1.098 232 D HN 0.272 nan 8.370 nan 0.000 0.502 233 W N 2.532 123.951 121.300 0.198 0.000 2.739 233 W HA 0.424 5.084 4.660 -0.000 0.000 0.331 233 W C -1.276 175.331 176.519 0.147 0.000 1.049 233 W CA -0.601 56.875 57.345 0.218 0.000 1.234 233 W CB 1.213 30.891 29.460 0.364 0.000 1.404 233 W HN 0.054 nan 8.180 nan 0.000 0.477 234 Q N 6.375 125.789 119.800 -0.644 0.000 2.372 234 Q HA 0.388 4.728 4.340 -0.000 0.000 0.273 234 Q C -2.164 173.118 176.000 -1.198 0.000 1.078 234 Q CA -2.030 53.372 55.803 -0.667 0.000 0.806 234 Q CB 2.619 31.176 28.738 -0.301 0.000 1.332 234 Q HN 0.246 nan 8.270 nan 0.000 0.435 235 P HA -0.062 nan 4.420 nan 0.000 0.270 235 P C -0.449 176.652 177.300 -0.332 0.000 1.223 235 P CA -0.145 62.593 63.100 -0.604 0.000 0.785 235 P CB 0.611 32.206 31.700 -0.174 0.000 0.923 236 E N 2.635 122.731 120.200 -0.174 0.000 2.558 236 E HA 0.033 4.383 4.350 -0.000 0.000 0.255 236 E C -1.900 174.654 176.600 -0.076 0.000 0.968 236 E CA -1.006 55.336 56.400 -0.096 0.000 0.939 236 E CB -0.986 28.702 29.700 -0.020 0.000 0.921 236 E HN 0.249 nan 8.360 nan 0.000 0.477 237 P HA -0.031 nan 4.420 nan 0.000 0.261 237 P C -1.005 176.277 177.300 -0.030 0.000 1.183 237 P CA -0.136 62.932 63.100 -0.054 0.000 0.761 237 P CB 0.358 32.029 31.700 -0.049 0.000 0.785 238 V N 0.776 120.677 119.914 -0.023 0.000 2.393 238 V HA 0.094 4.214 4.120 -0.000 0.000 0.257 238 V C 0.572 176.662 176.094 -0.007 0.000 1.040 238 V CA -0.515 61.779 62.300 -0.010 0.000 1.097 238 V CB -0.735 31.084 31.823 -0.007 0.000 1.101 238 V HN 0.391 nan 8.190 nan 0.000 0.479 239 N N 3.797 122.495 118.700 -0.003 0.000 2.448 239 N HA 0.075 4.815 4.740 -0.000 0.000 0.250 239 N C 0.927 176.438 175.510 0.002 0.000 1.136 239 N CA 0.202 53.251 53.050 -0.002 0.000 0.953 239 N CB 0.749 39.236 38.487 0.000 0.000 1.251 239 N HN 0.840 nan 8.380 nan 0.000 0.502 240 E N 2.464 122.664 120.200 -0.000 0.000 2.274 240 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 240 E C 1.347 177.949 176.600 0.002 0.000 0.996 240 E CA 0.645 57.046 56.400 0.001 0.000 0.840 240 E CB 0.163 29.862 29.700 -0.001 0.000 0.772 240 E HN 0.725 nan 8.360 nan 0.000 0.491 241 A N 0.659 123.480 122.820 0.002 0.000 1.969 241 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 241 A C 2.018 179.605 177.584 0.005 0.000 1.169 241 A CA 0.840 52.878 52.037 0.003 0.000 0.635 241 A CB -0.325 18.676 19.000 0.002 0.000 0.810 241 A HN 0.340 nan 8.150 nan 0.000 0.445 242 L N 0.028 121.254 121.223 0.006 0.000 2.095 242 L HA -0.012 4.328 4.340 -0.000 0.000 0.204 242 L C 1.630 178.507 176.870 0.011 0.000 1.080 242 L CA 1.943 56.789 54.840 0.009 0.000 0.759 242 L CB -0.691 41.374 42.059 0.011 0.000 0.914 242 L HN 0.275 nan 8.230 nan 0.000 0.439 243 N N 0.475 119.181 118.700 0.011 0.000 2.166 243 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 243 N C 1.811 177.327 175.510 0.010 0.000 1.019 243 N CA 1.471 54.528 53.050 0.012 0.000 0.856 243 N CB -0.505 37.988 38.487 0.011 0.000 0.993 243 N HN 0.514 nan 8.380 nan 0.000 0.426 244 A N 0.799 123.623 122.820 0.007 0.000 2.014 244 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 244 A C 2.174 179.762 177.584 0.007 0.000 1.163 244 A CA 0.872 52.913 52.037 0.006 0.000 0.652 244 A CB -0.213 18.790 19.000 0.004 0.000 0.808 244 A HN 0.187 nan 8.150 nan 0.000 0.449 245 R N -0.790 119.715 120.500 0.008 0.000 2.115 245 R HA -0.009 4.331 4.340 -0.000 0.000 0.226 245 R C 1.889 178.196 176.300 0.011 0.000 1.100 245 R CA 1.280 57.386 56.100 0.009 0.000 0.980 245 R CB -0.274 30.032 30.300 0.009 0.000 0.875 245 R HN 0.392 nan 8.270 nan 0.000 0.445 246 V N 0.570 120.492 119.914 0.013 0.000 2.407 246 V HA -0.101 4.019 4.120 -0.000 0.000 0.245 246 V C 2.330 178.433 176.094 0.015 0.000 1.041 246 V CA 1.804 64.114 62.300 0.017 0.000 1.040 246 V CB -0.497 31.339 31.823 0.021 0.000 0.671 246 V HN 0.343 nan 8.190 nan 0.000 0.455 247 A N 0.259 123.086 122.820 0.013 0.000 1.930 247 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 247 A C 2.173 179.762 177.584 0.009 0.000 1.175 247 A CA 1.663 53.706 52.037 0.010 0.000 0.627 247 A CB -0.588 18.416 19.000 0.007 0.000 0.815 247 A HN 0.579 nan 8.150 nan 0.000 0.443 248 A N -1.934 120.892 122.820 0.009 0.000 2.252 248 A HA 0.411 4.731 4.320 -0.000 0.000 0.207 248 A C 1.520 179.109 177.584 0.009 0.000 1.194 248 A CA 1.123 53.165 52.037 0.007 0.000 0.809 248 A CB -0.257 18.747 19.000 0.006 0.000 0.814 248 A HN 0.584 nan 8.150 nan 0.000 0.482 249 L N -3.673 117.557 121.223 0.011 0.000 2.966 249 L HA 0.506 4.846 4.340 -0.000 0.000 0.262 249 L C 1.966 178.844 176.870 0.014 0.000 1.068 249 L CA 1.367 56.214 54.840 0.012 0.000 1.004 249 L CB -0.073 41.993 42.059 0.012 0.000 1.629 249 L HN 0.124 nan 8.230 nan 0.000 0.542 250 A N -1.000 121.830 122.820 0.017 0.000 1.984 250 A HA 0.079 4.399 4.320 -0.000 0.000 0.203 250 A C 1.988 179.587 177.584 0.025 0.000 1.292 250 A CA 0.717 52.767 52.037 0.022 0.000 0.782 250 A CB -0.327 18.689 19.000 0.026 0.000 0.924 250 A HN 0.356 nan 8.150 nan 0.000 0.475 251 E N 0.524 120.736 120.200 0.020 0.000 2.130 251 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 251 E C 1.998 178.610 176.600 0.021 0.000 0.998 251 E CA 1.315 57.726 56.400 0.018 0.000 0.806 251 E CB -0.195 29.510 29.700 0.009 0.000 0.738 251 E HN 0.538 nan 8.360 nan 0.000 0.459 252 A N 1.125 123.956 122.820 0.017 0.000 1.898 252 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 252 A C 2.144 179.740 177.584 0.020 0.000 1.181 252 A CA 1.395 53.442 52.037 0.016 0.000 0.620 252 A CB -0.333 18.674 19.000 0.011 0.000 0.819 252 A HN 0.183 nan 8.150 nan 0.000 0.442 253 R N -0.715 119.797 120.500 0.021 0.000 2.153 253 R HA 0.156 4.496 4.340 -0.000 0.000 0.218 253 R C 1.824 178.141 176.300 0.030 0.000 1.072 253 R CA 0.829 56.940 56.100 0.019 0.000 0.990 253 R CB -0.353 29.954 30.300 0.012 0.000 0.889 253 R HN 0.466 nan 8.270 nan 0.000 0.452 254 L N 0.128 121.381 121.223 0.050 0.000 2.240 254 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 254 L C 2.506 179.468 176.870 0.153 0.000 1.106 254 L CA 0.695 55.596 54.840 0.102 0.000 0.793 254 L CB -0.252 41.876 42.059 0.114 0.000 0.927 254 L HN 0.136 nan 8.230 nan 0.000 0.446 255 S N -0.265 115.487 115.700 0.088 0.000 2.383 255 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 255 S C 1.498 176.146 174.600 0.080 0.000 1.026 255 S CA 1.368 59.614 58.200 0.077 0.000 0.981 255 S CB -0.068 63.154 63.200 0.036 0.000 0.818 255 S HN 0.399 nan 8.310 nan 0.000 0.472 256 D N 0.808 121.240 120.400 0.054 0.000 2.333 256 D HA 0.258 4.898 4.640 -0.000 0.000 0.208 256 D C 1.903 178.214 176.300 0.018 0.000 0.984 256 D CA 0.781 54.801 54.000 0.034 0.000 0.873 256 D CB -0.209 40.601 40.800 0.017 0.000 0.935 256 D HN 0.445 nan 8.370 nan 0.000 0.521 257 A N -0.054 122.773 122.820 0.012 0.000 1.929 257 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 257 A C 0.979 178.459 177.584 -0.173 0.000 1.176 257 A CA 0.706 52.688 52.037 -0.092 0.000 0.628 257 A CB -0.641 18.276 19.000 -0.139 0.000 0.816 257 A HN 0.210 nan 8.150 nan 0.000 0.444 258 Y N -0.668 119.612 120.300 -0.034 0.000 2.881 258 Y HA 0.327 4.877 4.550 0.000 0.000 0.369 258 Y C 1.776 177.668 175.900 -0.014 0.000 1.066 258 Y CA 0.114 58.196 58.100 -0.031 0.000 1.616 258 Y CB -0.025 38.413 38.460 -0.037 0.000 1.436 258 Y HN 0.272 nan 8.280 nan 0.000 0.505 259 R N -0.159 120.382 120.500 0.069 0.000 2.383 259 R HA 0.200 4.540 4.340 -0.000 0.000 0.205 259 R C 0.225 176.542 176.300 0.029 0.000 0.875 259 R CA 0.003 56.135 56.100 0.052 0.000 1.039 259 R CB 0.489 30.811 30.300 0.038 0.000 1.267 259 R HN 0.359 nan 8.270 nan 0.000 0.635 260 I N -0.128 120.446 120.570 0.006 0.000 2.720 260 I HA 0.138 4.308 4.170 -0.000 0.000 0.287 260 I C 1.441 177.565 176.117 0.012 0.000 1.090 260 I CA -0.132 61.169 61.300 0.003 0.000 1.384 260 I CB 1.094 39.088 38.000 -0.010 0.000 1.420 260 I HN 0.013 nan 8.210 nan 0.000 0.575 261 T N -0.378 114.187 114.554 0.019 0.000 2.770 261 T HA -0.028 4.322 4.350 -0.000 0.000 0.258 261 T C 0.686 175.408 174.700 0.037 0.000 1.039 261 T CA 0.710 62.829 62.100 0.031 0.000 1.143 261 T CB -0.603 68.281 68.868 0.027 0.000 0.866 261 T HN 0.755 nan 8.240 nan 0.000 0.428 262 D N 1.339 121.757 120.400 0.030 0.000 2.458 262 D HA 0.128 4.768 4.640 -0.000 0.000 0.243 262 D C 1.089 177.423 176.300 0.058 0.000 1.146 262 D CA 0.072 54.094 54.000 0.038 0.000 0.877 262 D CB 0.974 41.790 40.800 0.027 0.000 1.176 262 D HN 0.274 nan 8.370 nan 0.000 0.461 263 K N 2.363 122.814 120.400 0.085 0.000 2.062 263 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 263 K C 1.588 178.289 176.600 0.168 0.000 1.051 263 K CA 0.975 57.355 56.287 0.155 0.000 0.941 263 K CB 0.142 32.725 32.500 0.139 0.000 0.719 263 K HN 0.562 nan 8.250 nan 0.000 0.440 264 Q N 0.151 120.003 119.800 0.088 0.000 2.170 264 Q HA -0.153 4.187 4.340 -0.000 0.000 0.203 264 Q C 1.530 177.571 176.000 0.068 0.000 0.976 264 Q CA 1.412 57.257 55.803 0.069 0.000 0.858 264 Q CB 0.155 28.914 28.738 0.034 0.000 0.907 264 Q HN 0.413 nan 8.270 nan 0.000 0.433 265 E N -0.073 120.157 120.200 0.048 0.000 2.230 265 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 265 E C 1.861 178.460 176.600 -0.002 0.000 0.987 265 E CA 0.147 56.560 56.400 0.021 0.000 0.841 265 E CB 0.139 29.844 29.700 0.009 0.000 0.783 265 E HN 0.161 nan 8.360 nan 0.000 0.481 266 R N 0.020 120.523 120.500 0.006 0.000 2.062 266 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 266 R C 1.514 177.720 176.300 -0.156 0.000 1.125 266 R CA 1.107 57.142 56.100 -0.108 0.000 0.966 266 R CB -0.060 30.171 30.300 -0.115 0.000 0.861 266 R HN 0.161 nan 8.270 nan 0.000 0.433 267 Y N -0.213 120.038 120.300 -0.080 0.000 2.616 267 Y HA 0.045 4.595 4.550 -0.000 0.000 0.296 267 Y C 1.960 177.836 175.900 -0.039 0.000 1.154 267 Y CA 0.667 58.734 58.100 -0.054 0.000 1.325 267 Y CB 0.266 38.717 38.460 -0.016 0.000 1.007 267 Y HN 0.272 nan 8.280 nan 0.000 0.542 268 A N -0.661 122.203 122.820 0.074 0.000 1.911 268 A HA -0.115 4.205 4.320 -0.000 0.000 0.212 268 A C 1.979 179.560 177.584 -0.006 0.000 1.189 268 A CA 1.091 53.150 52.037 0.037 0.000 0.639 268 A CB -0.332 18.687 19.000 0.031 0.000 0.839 268 A HN 0.328 nan 8.150 nan 0.000 0.449 269 Q N -0.335 119.440 119.800 -0.041 0.000 2.083 269 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 269 Q C 1.801 177.752 176.000 -0.082 0.000 0.969 269 Q CA 1.862 57.629 55.803 -0.059 0.000 0.838 269 Q CB -0.519 28.174 28.738 -0.075 0.000 0.900 269 Q HN 0.287 nan 8.270 nan 0.000 0.436 270 V N 0.618 120.443 119.914 -0.148 0.000 2.759 270 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 270 V C 1.370 177.422 176.094 -0.069 0.000 1.080 270 V CA 2.158 64.361 62.300 -0.163 0.000 1.101 270 V CB -0.206 31.405 31.823 -0.354 0.000 0.698 270 V HN 0.469 nan 8.190 nan 0.000 0.477 271 D N -1.158 119.220 120.400 -0.037 0.000 2.213 271 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 271 D C 2.028 178.334 176.300 0.009 0.000 0.961 271 D CA 1.167 55.172 54.000 0.009 0.000 0.853 271 D CB 0.172 40.996 40.800 0.039 0.000 0.967 271 D HN 0.290 nan 8.370 nan 0.000 0.496 272 V N 0.645 120.558 119.914 -0.001 0.000 2.295 272 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 272 V C 2.418 178.514 176.094 0.004 0.000 1.049 272 V CA 1.370 63.671 62.300 0.002 0.000 1.024 272 V CB -0.384 31.438 31.823 -0.003 0.000 0.648 272 V HN 0.285 nan 8.190 nan 0.000 0.447 273 I N -0.681 119.888 120.570 -0.002 0.000 2.394 273 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 273 I C 2.204 178.331 176.117 0.016 0.000 1.136 273 I CA 1.434 62.738 61.300 0.006 0.000 1.425 273 I CB -0.417 37.586 38.000 0.005 0.000 1.079 273 I HN 0.168 nan 8.210 nan 0.000 0.425 274 K N 0.192 120.603 120.400 0.018 0.000 2.505 274 K HA 0.116 4.436 4.320 -0.000 0.000 0.192 274 K C 1.373 177.991 176.600 0.029 0.000 1.025 274 K CA 0.303 56.608 56.287 0.031 0.000 1.086 274 K CB 0.269 32.792 32.500 0.039 0.000 0.840 274 K HN 0.194 nan 8.250 nan 0.000 0.514 275 S N -0.133 115.580 115.700 0.022 0.000 2.619 275 S HA 0.074 4.544 4.470 -0.000 0.000 0.238 275 S C 1.163 175.774 174.600 0.018 0.000 1.068 275 S CA -0.182 58.031 58.200 0.021 0.000 0.926 275 S CB 0.623 63.835 63.200 0.020 0.000 0.864 275 S HN 0.257 nan 8.310 nan 0.000 0.493 276 E N 1.121 121.330 120.200 0.015 0.000 2.230 276 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 276 E C 1.401 178.010 176.600 0.014 0.000 0.987 276 E CA 1.051 57.459 56.400 0.013 0.000 0.841 276 E CB 0.042 29.748 29.700 0.010 0.000 0.783 276 E HN 0.318 nan 8.360 nan 0.000 0.481 277 T N 1.204 115.768 114.554 0.017 0.000 2.809 277 T HA -0.027 4.323 4.350 -0.000 0.000 0.260 277 T C 1.989 176.701 174.700 0.019 0.000 1.039 277 T CA 0.642 62.753 62.100 0.018 0.000 1.141 277 T CB -0.049 68.832 68.868 0.022 0.000 0.869 277 T HN 0.079 nan 8.240 nan 0.000 0.437 278 I N 1.529 122.112 120.570 0.022 0.000 2.252 278 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 278 I C 2.931 179.059 176.117 0.018 0.000 1.102 278 I CA 0.998 62.311 61.300 0.022 0.000 1.385 278 I CB -0.445 37.570 38.000 0.025 0.000 1.064 278 I HN 0.185 nan 8.210 nan 0.000 0.414 279 A N 0.425 123.255 122.820 0.017 0.000 1.933 279 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 279 A C 2.366 179.957 177.584 0.013 0.000 1.175 279 A CA 2.292 54.338 52.037 0.014 0.000 0.628 279 A CB -0.967 18.041 19.000 0.014 0.000 0.814 279 A HN 0.394 nan 8.150 nan 0.000 0.444 280 T N 0.203 114.764 114.554 0.013 0.000 2.857 280 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 280 T C 1.765 176.472 174.700 0.011 0.000 1.048 280 T CA 1.252 63.358 62.100 0.011 0.000 1.139 280 T CB -0.282 68.592 68.868 0.011 0.000 0.874 280 T HN 0.337 nan 8.240 nan 0.000 0.455 281 L N 0.374 121.605 121.223 0.013 0.000 2.156 281 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 281 L C 2.299 179.176 176.870 0.012 0.000 1.095 281 L CA 0.839 55.687 54.840 0.013 0.000 0.770 281 L CB -0.445 41.623 42.059 0.015 0.000 0.914 281 L HN 0.244 nan 8.230 nan 0.000 0.439 282 L N -0.802 120.429 121.223 0.013 0.000 2.156 282 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 282 L C 2.744 179.620 176.870 0.010 0.000 1.095 282 L CA 0.887 55.735 54.840 0.012 0.000 0.770 282 L CB -0.620 41.447 42.059 0.013 0.000 0.914 282 L HN 0.214 nan 8.230 nan 0.000 0.439 283 A N -0.176 122.650 122.820 0.010 0.000 1.968 283 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 283 A C 2.146 179.735 177.584 0.008 0.000 1.169 283 A CA 1.110 53.152 52.037 0.009 0.000 0.638 283 A CB -0.197 18.808 19.000 0.008 0.000 0.812 283 A HN 0.411 nan 8.150 nan 0.000 0.446 284 E N -0.870 119.334 120.200 0.008 0.000 2.076 284 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 284 E C -0.265 176.339 176.600 0.007 0.000 0.979 284 E CA 0.894 57.298 56.400 0.007 0.000 0.807 284 E CB 0.170 29.875 29.700 0.008 0.000 0.761 284 E HN 0.456 nan 8.360 nan 0.000 0.454 285 D N -0.550 119.855 120.400 0.008 0.000 2.602 285 D HA 0.080 4.720 4.640 -0.000 0.000 0.245 285 D C -0.246 176.059 176.300 0.009 0.000 1.325 285 D CA -0.144 53.861 54.000 0.008 0.000 0.952 285 D CB 1.172 41.976 40.800 0.008 0.000 1.317 285 D HN -0.134 nan 8.370 nan 0.000 0.577 286 E N 1.015 121.220 120.200 0.008 0.000 2.274 286 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 286 E C 0.118 176.724 176.600 0.009 0.000 0.996 286 E CA 0.742 57.148 56.400 0.009 0.000 0.840 286 E CB 0.324 30.029 29.700 0.008 0.000 0.772 286 E HN 0.334 nan 8.360 nan 0.000 0.491 287 T N 2.011 116.570 114.554 0.008 0.000 3.316 287 T HA 0.420 4.770 4.350 -0.000 0.000 0.341 287 T C -0.290 174.415 174.700 0.009 0.000 1.397 287 T CA -0.002 62.103 62.100 0.008 0.000 1.085 287 T CB 0.038 68.910 68.868 0.007 0.000 1.160 287 T HN -0.040 nan 8.240 nan 0.000 0.694 288 L N 1.337 122.567 121.223 0.011 0.000 2.424 288 L HA 0.494 4.834 4.340 -0.000 0.000 0.258 288 L C -0.558 176.321 176.870 0.015 0.000 0.995 288 L CA -1.267 53.580 54.840 0.013 0.000 0.821 288 L CB 2.395 44.462 42.059 0.014 0.000 1.383 288 L HN 0.243 nan 8.230 nan 0.000 0.410 289 D N 0.807 121.217 120.400 0.016 0.000 2.371 289 D HA 0.027 4.667 4.640 -0.000 0.000 0.256 289 D C 0.708 177.021 176.300 0.022 0.000 1.193 289 D CA 0.244 54.255 54.000 0.018 0.000 0.881 289 D CB 1.477 42.288 40.800 0.018 0.000 1.143 289 D HN 0.515 nan 8.370 nan 0.000 0.473 290 E N 3.032 123.246 120.200 0.024 0.000 2.107 290 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 290 E C 1.046 177.665 176.600 0.032 0.000 0.982 290 E CA 1.198 57.614 56.400 0.027 0.000 0.809 290 E CB 0.081 29.796 29.700 0.026 0.000 0.756 290 E HN 0.431 nan 8.360 nan 0.000 0.459 291 N N 0.429 119.149 118.700 0.033 0.000 2.331 291 N HA -0.126 4.614 4.740 -0.000 0.000 0.180 291 N C 1.529 177.062 175.510 0.039 0.000 1.019 291 N CA 0.853 53.925 53.050 0.038 0.000 0.881 291 N CB -0.059 38.450 38.487 0.037 0.000 0.972 291 N HN 0.386 nan 8.380 nan 0.000 0.435 292 E N 0.904 121.126 120.200 0.036 0.000 2.076 292 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 292 E C 1.950 178.575 176.600 0.041 0.000 0.979 292 E CA 0.278 56.700 56.400 0.037 0.000 0.807 292 E CB 0.111 29.829 29.700 0.029 0.000 0.761 292 E HN 0.214 nan 8.360 nan 0.000 0.454 293 L N 0.027 121.273 121.223 0.038 0.000 2.079 293 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 293 L C 2.532 179.433 176.870 0.051 0.000 1.081 293 L CA 1.293 56.156 54.840 0.040 0.000 0.752 293 L CB -0.448 41.631 42.059 0.034 0.000 0.896 293 L HN 0.263 nan 8.230 nan 0.000 0.433 294 G N -1.024 107.809 108.800 0.055 0.000 2.484 294 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 294 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 294 G C 1.474 176.429 174.900 0.093 0.000 1.130 294 G CA 0.443 45.584 45.100 0.069 0.000 0.784 294 G HN 0.428 nan 8.290 nan 0.000 0.543 295 E N -0.194 120.054 120.200 0.080 0.000 2.072 295 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 295 E C 2.273 178.945 176.600 0.121 0.000 0.982 295 E CA 0.434 56.892 56.400 0.098 0.000 0.803 295 E CB -0.076 29.668 29.700 0.073 0.000 0.755 295 E HN 0.383 nan 8.360 nan 0.000 0.453 296 I N 0.844 121.465 120.570 0.085 0.000 2.252 296 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 296 I C 2.214 178.373 176.117 0.070 0.000 1.102 296 I CA 0.857 62.198 61.300 0.068 0.000 1.385 296 I CB -0.115 37.913 38.000 0.046 0.000 1.064 296 I HN 0.164 nan 8.210 nan 0.000 0.414 297 L N -0.645 120.626 121.223 0.081 0.000 2.083 297 L HA -0.262 4.078 4.340 -0.000 0.000 0.209 297 L C 2.577 179.506 176.870 0.098 0.000 1.083 297 L CA 1.433 56.321 54.840 0.079 0.000 0.752 297 L CB -0.708 41.400 42.059 0.080 0.000 0.899 297 L HN 0.341 nan 8.230 nan 0.000 0.433 298 H N -0.303 118.790 119.070 0.038 0.000 2.423 298 H HA -0.075 4.481 4.556 -0.000 0.000 0.297 298 H C 2.093 177.432 175.328 0.019 0.000 1.075 298 H CA 1.275 57.345 56.048 0.038 0.000 1.342 298 H CB 0.208 30.000 29.762 0.049 0.000 1.395 298 H HN 0.281 nan 8.280 nan 0.000 0.530 299 A N 0.244 123.086 122.820 0.036 0.000 1.968 299 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 299 A C 2.369 179.912 177.584 -0.070 0.000 1.169 299 A CA 1.292 53.315 52.037 -0.022 0.000 0.638 299 A CB -0.538 18.484 19.000 0.037 0.000 0.812 299 A HN 0.491 nan 8.150 nan 0.000 0.446 300 I N -0.540 120.003 120.570 -0.045 0.000 2.286 300 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 300 I C 2.366 178.415 176.117 -0.115 0.000 1.104 300 I CA 1.285 62.553 61.300 -0.053 0.000 1.397 300 I CB -0.402 37.593 38.000 -0.010 0.000 1.072 300 I HN 0.362 nan 8.210 nan 0.000 0.417 301 E N 0.872 120.989 120.200 -0.138 0.000 2.118 301 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 301 E C 2.145 178.482 176.600 -0.439 0.000 0.992 301 E CA 1.124 57.360 56.400 -0.273 0.000 0.804 301 E CB -0.033 29.587 29.700 -0.133 0.000 0.741 301 E HN 0.352 nan 8.360 nan 0.000 0.458 302 K N 0.821 121.015 120.400 -0.344 0.000 2.031 302 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 302 K C 1.994 178.470 176.600 -0.205 0.000 1.049 302 K CA 1.254 57.369 56.287 -0.286 0.000 0.939 302 K CB -0.000 32.349 32.500 -0.251 0.000 0.717 302 K HN -0.061 nan 8.250 nan 0.000 0.438 303 N N 0.403 119.008 118.700 -0.158 0.000 2.244 303 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 303 N C 1.580 177.022 175.510 -0.113 0.000 1.016 303 N CA 0.944 53.930 53.050 -0.107 0.000 0.866 303 N CB 0.036 38.480 38.487 -0.071 0.000 0.980 303 N HN -0.011 nan 8.380 nan 0.000 0.430 304 V N -0.457 119.365 119.914 -0.154 0.000 2.358 304 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 304 V C 2.197 178.199 176.094 -0.152 0.000 1.047 304 V CA 1.182 63.399 62.300 -0.138 0.000 1.035 304 V CB -0.330 31.409 31.823 -0.139 0.000 0.658 304 V HN 0.149 nan 8.190 nan 0.000 0.452 305 V N -0.063 119.708 119.914 -0.238 0.000 2.283 305 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 305 V C 2.502 178.536 176.094 -0.100 0.000 1.039 305 V CA 1.966 64.154 62.300 -0.187 0.000 1.016 305 V CB -0.732 30.937 31.823 -0.257 0.000 0.650 305 V HN 0.446 nan 8.190 nan 0.000 0.449 306 R N -0.039 120.404 120.500 -0.095 0.000 2.148 306 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 306 R C 2.471 178.745 176.300 -0.042 0.000 1.088 306 R CA 1.362 57.429 56.100 -0.055 0.000 0.985 306 R CB -0.336 29.936 30.300 -0.048 0.000 0.880 306 R HN 0.440 nan 8.270 nan 0.000 0.451 307 S N 0.528 116.199 115.700 -0.049 0.000 2.387 307 S HA -0.031 4.439 4.470 -0.000 0.000 0.226 307 S C 1.759 176.341 174.600 -0.030 0.000 1.026 307 S CA 0.887 59.065 58.200 -0.036 0.000 0.972 307 S CB 0.004 63.182 63.200 -0.037 0.000 0.814 307 S HN 0.308 nan 8.310 nan 0.000 0.477 308 R N 0.522 121.003 120.500 -0.032 0.000 2.090 308 R HA 0.035 4.375 4.340 -0.000 0.000 0.228 308 R C 2.100 178.389 176.300 -0.019 0.000 1.110 308 R CA 0.952 57.039 56.100 -0.021 0.000 0.973 308 R CB -0.411 29.880 30.300 -0.016 0.000 0.869 308 R HN 0.244 nan 8.270 nan 0.000 0.440 309 V N 1.253 121.155 119.914 -0.020 0.000 2.453 309 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 309 V C 2.172 178.253 176.094 -0.022 0.000 1.048 309 V CA 1.353 63.643 62.300 -0.016 0.000 1.049 309 V CB -0.323 31.494 31.823 -0.011 0.000 0.672 309 V HN 0.270 nan 8.190 nan 0.000 0.457 310 L N -0.037 121.171 121.223 -0.024 0.000 2.109 310 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 310 L C 2.498 179.345 176.870 -0.037 0.000 1.086 310 L CA 1.503 56.325 54.840 -0.030 0.000 0.760 310 L CB -0.382 41.663 42.059 -0.024 0.000 0.910 310 L HN 0.304 nan 8.230 nan 0.000 0.437 311 A N -1.108 121.693 122.820 -0.031 0.000 1.929 311 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 311 A C 1.782 179.347 177.584 -0.032 0.000 1.176 311 A CA 1.379 53.398 52.037 -0.030 0.000 0.628 311 A CB -0.450 18.535 19.000 -0.024 0.000 0.816 311 A HN 0.603 nan 8.150 nan 0.000 0.444 312 G N -1.511 107.271 108.800 -0.029 0.000 2.273 312 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.162 312 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.162 312 G C -0.160 174.728 174.900 -0.020 0.000 1.006 312 G CA 0.066 45.149 45.100 -0.028 0.000 0.704 312 G HN 0.496 nan 8.290 nan 0.000 0.487 313 E N 2.099 122.290 120.200 -0.015 0.000 2.383 313 E HA 0.374 4.724 4.350 -0.000 0.000 0.264 313 E C -1.880 174.717 176.600 -0.004 0.000 1.050 313 E CA -1.369 55.026 56.400 -0.009 0.000 0.896 313 E CB 1.007 30.703 29.700 -0.006 0.000 0.982 313 E HN 0.201 nan 8.360 nan 0.000 0.424 314 P HA -0.027 nan 4.420 nan 0.000 0.269 314 P C -0.294 177.014 177.300 0.013 0.000 1.217 314 P CA 0.263 63.366 63.100 0.006 0.000 0.783 314 P CB 0.722 32.426 31.700 0.008 0.000 0.898 315 R N 0.607 121.118 120.500 0.019 0.000 2.783 315 R HA 0.199 4.539 4.340 -0.000 0.000 0.276 315 R C 2.041 178.368 176.300 0.044 0.000 1.223 315 R CA -0.555 55.562 56.100 0.029 0.000 1.173 315 R CB -0.168 30.151 30.300 0.033 0.000 1.157 315 R HN 0.385 nan 8.270 nan 0.000 0.600 316 I N 0.818 121.427 120.570 0.065 0.000 2.163 316 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 316 I C 1.515 177.674 176.117 0.070 0.000 1.085 316 I CA 1.543 62.898 61.300 0.091 0.000 1.347 316 I CB -0.466 37.618 38.000 0.140 0.000 1.044 316 I HN 0.638 nan 8.210 nan 0.000 0.408 317 D N 0.795 121.232 120.400 0.062 0.000 2.325 317 D HA 0.084 4.724 4.640 -0.000 0.000 0.234 317 D C 1.367 177.689 176.300 0.036 0.000 1.122 317 D CA 0.522 54.551 54.000 0.049 0.000 0.850 317 D CB -0.182 40.649 40.800 0.052 0.000 0.921 317 D HN 0.418 nan 8.370 nan 0.000 0.513 318 G N 0.571 109.391 108.800 0.033 0.000 2.160 318 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.244 318 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.244 318 G C 0.190 175.102 174.900 0.019 0.000 1.022 318 G CA -0.103 45.011 45.100 0.024 0.000 0.741 318 G HN 0.444 nan 8.290 nan 0.000 0.508 319 R N -0.420 120.093 120.500 0.022 0.000 2.553 319 R HA 0.550 4.890 4.340 -0.000 0.000 0.263 319 R C 0.469 176.776 176.300 0.011 0.000 1.066 319 R CA -0.847 55.263 56.100 0.017 0.000 1.135 319 R CB 0.661 30.975 30.300 0.023 0.000 1.148 319 R HN 0.238 nan 8.270 nan 0.000 0.558 320 E N 1.130 121.332 120.200 0.004 0.000 3.601 320 E HA 0.032 4.382 4.350 -0.000 0.000 0.273 320 E C 0.718 177.317 176.600 -0.002 0.000 1.368 320 E CA -0.193 56.205 56.400 -0.003 0.000 1.286 320 E CB 0.391 30.085 29.700 -0.010 0.000 1.383 320 E HN 0.394 nan 8.360 nan 0.000 0.746 321 K N 0.324 120.719 120.400 -0.008 0.000 2.076 321 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 321 K C 0.766 177.363 176.600 -0.005 0.000 1.051 321 K CA 1.725 58.006 56.287 -0.009 0.000 0.949 321 K CB 0.155 32.644 32.500 -0.018 0.000 0.726 321 K HN 0.348 nan 8.250 nan 0.000 0.443 322 D N -0.207 120.187 120.400 -0.010 0.000 2.469 322 D HA -0.001 4.639 4.640 -0.000 0.000 0.213 322 D C 0.801 177.093 176.300 -0.013 0.000 1.135 322 D CA -0.303 53.692 54.000 -0.009 0.000 0.834 322 D CB -0.288 40.503 40.800 -0.015 0.000 1.009 322 D HN 0.276 nan 8.370 nan 0.000 0.507 323 M N 0.646 120.237 119.600 -0.016 0.000 2.241 323 M HA 0.480 4.960 4.480 -0.000 0.000 0.335 323 M C 0.129 176.431 176.300 0.003 0.000 1.122 323 M CA -0.753 54.531 55.300 -0.027 0.000 1.164 323 M CB 1.436 34.018 32.600 -0.030 0.000 1.459 323 M HN 0.007 nan 8.290 nan 0.000 0.461 324 I N -1.107 119.469 120.570 0.011 0.000 3.100 324 I HA 0.649 4.819 4.170 -0.000 0.000 0.312 324 I C -0.241 175.916 176.117 0.067 0.000 1.063 324 I CA -1.290 60.048 61.300 0.062 0.000 1.031 324 I CB 1.467 39.540 38.000 0.122 0.000 1.243 324 I HN 0.777 nan 8.210 nan 0.000 0.483 325 R N 0.990 121.535 120.500 0.075 0.000 2.726 325 R HA 0.405 4.745 4.340 -0.000 0.000 0.272 325 R C 0.199 176.535 176.300 0.060 0.000 1.097 325 R CA -0.073 56.061 56.100 0.057 0.000 1.198 325 R CB 0.410 30.739 30.300 0.047 0.000 1.114 325 R HN 0.942 nan 8.270 nan 0.000 0.550 326 G N 1.154 109.973 108.800 0.032 0.000 2.365 326 G HA2 0.271 4.231 3.960 -0.000 0.000 0.249 326 G HA3 0.271 4.231 3.960 -0.000 0.000 0.249 326 G C -0.361 174.518 174.900 -0.035 0.000 1.288 326 G CA -0.423 44.687 45.100 0.018 0.000 0.887 326 G HN 0.260 nan 8.290 nan 0.000 0.524 327 L N 1.890 123.087 121.223 -0.045 0.000 2.334 327 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 327 L C -0.426 176.349 176.870 -0.158 0.000 1.036 327 L CA -0.855 53.893 54.840 -0.153 0.000 0.807 327 L CB 1.962 43.957 42.059 -0.107 0.000 1.231 327 L HN 0.393 nan 8.230 nan 0.000 0.438 328 D N 1.737 121.980 120.400 -0.262 0.000 2.575 328 D HA 0.381 5.021 4.640 -0.000 0.000 0.250 328 D C -1.402 174.800 176.300 -0.163 0.000 1.279 328 D CA -0.220 53.680 54.000 -0.166 0.000 0.925 328 D CB 2.045 42.766 40.800 -0.132 0.000 1.261 328 D HN 0.070 nan 8.370 nan 0.000 0.567 329 V N 5.214 125.100 119.914 -0.046 0.000 2.384 329 V HA 0.572 4.692 4.120 -0.000 0.000 0.287 329 V C 0.199 176.319 176.094 0.043 0.000 1.020 329 V CA -0.563 61.768 62.300 0.052 0.000 0.850 329 V CB 1.376 33.264 31.823 0.107 0.000 0.987 329 V HN 0.391 nan 8.190 nan 0.000 0.436 330 R N 2.713 123.248 120.500 0.059 0.000 2.575 330 R HA 0.748 5.088 4.340 -0.000 0.000 0.293 330 R C -1.048 175.284 176.300 0.053 0.000 0.983 330 R CA -0.566 55.559 56.100 0.042 0.000 0.887 330 R CB 2.494 32.809 30.300 0.024 0.000 1.184 330 R HN 0.690 nan 8.270 nan 0.000 0.445 331 T N 0.262 114.839 114.554 0.039 0.000 2.886 331 T HA 0.522 4.872 4.350 -0.000 0.000 0.292 331 T C 0.392 175.106 174.700 0.023 0.000 1.012 331 T CA -0.300 61.822 62.100 0.036 0.000 0.982 331 T CB 1.851 70.741 68.868 0.036 0.000 1.018 331 T HN 0.830 nan 8.240 nan 0.000 0.451 332 G N 1.392 110.204 108.800 0.020 0.000 2.203 332 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.231 332 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.231 332 G C 0.699 175.603 174.900 0.007 0.000 1.058 332 G CA 0.037 45.145 45.100 0.012 0.000 0.781 332 G HN 0.656 nan 8.290 nan 0.000 0.496 333 V N -0.311 119.608 119.914 0.009 0.000 2.307 333 V HA 0.110 4.230 4.120 -0.000 0.000 0.245 333 V C 1.726 177.816 176.094 -0.006 0.000 1.045 333 V CA 1.984 64.286 62.300 0.003 0.000 1.024 333 V CB -0.225 31.603 31.823 0.009 0.000 0.651 333 V HN 0.481 nan 8.190 nan 0.000 0.449 334 L N 0.723 121.940 121.223 -0.010 0.000 2.325 334 L HA 0.336 4.676 4.340 -0.000 0.000 0.278 334 L C -1.100 175.756 176.870 -0.025 0.000 1.023 334 L CA -1.451 53.376 54.840 -0.021 0.000 0.811 334 L CB 1.220 43.262 42.059 -0.028 0.000 1.249 334 L HN 0.048 nan 8.230 nan 0.000 0.431 335 P HA -0.029 nan 4.420 nan 0.000 0.215 335 P C 0.606 177.882 177.300 -0.040 0.000 1.160 335 P CA 0.847 63.930 63.100 -0.028 0.000 0.869 335 P CB 0.380 32.065 31.700 -0.025 0.000 0.782 336 R N 0.231 120.698 120.500 -0.055 0.000 3.534 336 R HA 0.370 4.710 4.340 -0.000 0.000 0.312 336 R C 0.144 176.363 176.300 -0.134 0.000 1.419 336 R CA 0.151 56.204 56.100 -0.079 0.000 1.262 336 R CB -0.418 29.843 30.300 -0.066 0.000 1.437 336 R HN 0.196 nan 8.270 nan 0.000 0.627 337 T N -2.214 112.253 114.554 -0.145 0.000 2.883 337 T HA 0.281 4.631 4.350 -0.000 0.000 0.301 337 T C 0.890 175.478 174.700 -0.187 0.000 1.158 337 T CA -0.531 61.426 62.100 -0.238 0.000 1.007 337 T CB 1.135 69.914 68.868 -0.148 0.000 1.186 337 T HN 0.433 nan 8.240 nan 0.000 0.499 338 H N 1.450 120.513 119.070 -0.011 0.000 2.299 338 H HA 0.270 4.826 4.556 -0.000 0.000 0.302 338 H C 1.344 176.668 175.328 -0.007 0.000 1.078 338 H CA 0.914 56.957 56.048 -0.009 0.000 1.323 338 H CB 0.077 29.835 29.762 -0.007 0.000 1.381 338 H HN 0.584 nan 8.280 nan 0.000 0.498 339 G N -0.636 108.228 108.800 0.107 0.000 2.452 339 G HA2 0.512 4.472 3.960 -0.000 0.000 0.324 339 G HA3 0.512 4.472 3.960 -0.000 0.000 0.324 339 G C -1.019 173.897 174.900 0.026 0.000 1.214 339 G CA -0.504 44.631 45.100 0.058 0.000 0.947 339 G HN 0.175 nan 8.290 nan 0.000 0.478 340 S N -0.723 114.992 115.700 0.025 0.000 2.548 340 S HA 0.849 5.319 4.470 -0.000 0.000 0.276 340 S C -0.448 174.173 174.600 0.034 0.000 1.129 340 S CA -0.367 57.845 58.200 0.020 0.000 0.931 340 S CB 1.868 65.074 63.200 0.010 0.000 1.068 340 S HN 1.516 nan 8.310 nan 0.000 0.480 341 A N 1.874 124.720 122.820 0.043 0.000 2.547 341 A HA 0.806 5.126 4.320 -0.000 0.000 0.297 341 A C -1.900 175.734 177.584 0.084 0.000 1.056 341 A CA -0.558 51.521 52.037 0.070 0.000 0.688 341 A CB 1.359 20.410 19.000 0.084 0.000 1.282 341 A HN 0.787 nan 8.150 nan 0.000 0.400 342 L N 2.257 123.541 121.223 0.101 0.000 2.481 342 L HA 0.597 4.937 4.340 -0.000 0.000 0.255 342 L C -1.548 175.403 176.870 0.135 0.000 1.192 342 L CA -0.241 54.658 54.840 0.099 0.000 0.924 342 L CB 0.422 42.510 42.059 0.049 0.000 1.179 342 L HN 0.633 nan 8.230 nan 0.000 0.491 343 F N 2.979 122.951 119.950 0.036 0.000 2.420 343 F HA 0.674 5.201 4.527 -0.000 0.000 0.352 343 F C -0.041 175.783 175.800 0.040 0.000 1.108 343 F CA 0.202 58.225 58.000 0.038 0.000 1.162 343 F CB 0.985 40.014 39.000 0.050 0.000 1.118 343 F HN 0.432 nan 8.300 nan 0.000 0.510 344 T N 7.100 121.286 114.554 -0.614 0.000 2.841 344 T HA 0.360 4.710 4.350 -0.000 0.000 0.285 344 T C -0.703 173.626 174.700 -0.619 0.000 0.991 344 T CA -0.713 61.129 62.100 -0.429 0.000 0.966 344 T CB 1.243 69.989 68.868 -0.202 0.000 0.962 344 T HN 0.625 nan 8.240 nan 0.000 0.438 345 R N 2.277 122.558 120.500 -0.365 0.000 2.312 345 R HA 0.519 4.859 4.340 -0.000 0.000 0.310 345 R C 1.181 177.446 176.300 -0.058 0.000 1.064 345 R CA 0.472 56.450 56.100 -0.203 0.000 0.983 345 R CB -0.260 30.029 30.300 -0.019 0.000 1.139 345 R HN 0.968 nan 8.270 nan 0.000 0.536 346 G N 3.201 111.967 108.800 -0.056 0.000 4.610 346 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.323 346 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.323 346 G C 0.668 175.564 174.900 -0.007 0.000 1.377 346 G CA 0.725 45.818 45.100 -0.012 0.000 1.023 346 G HN 0.617 nan 8.290 nan 0.000 0.755 347 E N 0.485 120.693 120.200 0.014 0.000 2.453 347 E HA 0.218 4.568 4.350 -0.000 0.000 0.211 347 E C 1.075 177.691 176.600 0.027 0.000 0.897 347 E CA 0.559 56.972 56.400 0.021 0.000 1.063 347 E CB 0.725 30.448 29.700 0.039 0.000 1.080 347 E HN 0.704 nan 8.360 nan 0.000 0.512 348 T N 0.362 114.940 114.554 0.040 0.000 2.904 348 T HA 0.365 4.714 4.350 -0.000 0.000 0.290 348 T C -0.072 174.658 174.700 0.050 0.000 1.018 348 T CA -0.653 61.487 62.100 0.066 0.000 1.075 348 T CB 1.409 70.341 68.868 0.108 0.000 0.986 348 T HN 0.092 nan 8.240 nan 0.000 0.523 349 Q N -0.138 119.710 119.800 0.079 0.000 2.578 349 Q HA 0.628 4.968 4.340 -0.000 0.000 0.284 349 Q C -2.195 173.875 176.000 0.116 0.000 0.960 349 Q CA -1.649 54.205 55.803 0.084 0.000 0.809 349 Q CB 1.476 30.233 28.738 0.032 0.000 1.462 349 Q HN 1.077 nan 8.270 nan 0.000 0.392 350 A N 1.557 124.465 122.820 0.147 0.000 2.456 350 A HA 0.536 4.856 4.320 -0.000 0.000 0.288 350 A C -1.781 175.872 177.584 0.115 0.000 1.042 350 A CA -0.612 51.502 52.037 0.127 0.000 0.738 350 A CB 1.649 20.753 19.000 0.173 0.000 1.266 350 A HN 0.648 nan 8.150 nan 0.000 0.407 351 L N 3.936 125.202 121.223 0.070 0.000 2.363 351 L HA 0.526 4.866 4.340 -0.000 0.000 0.286 351 L C -0.740 176.156 176.870 0.043 0.000 1.106 351 L CA 0.219 55.092 54.840 0.055 0.000 0.859 351 L CB 0.465 42.545 42.059 0.036 0.000 1.223 351 L HN 0.421 nan 8.230 nan 0.000 0.446 352 V N 3.884 123.832 119.914 0.057 0.000 2.435 352 V HA 0.637 4.757 4.120 -0.000 0.000 0.290 352 V C 0.370 176.469 176.094 0.008 0.000 1.030 352 V CA -0.338 61.983 62.300 0.035 0.000 0.881 352 V CB 1.528 33.398 31.823 0.078 0.000 0.983 352 V HN 0.835 nan 8.190 nan 0.000 0.445 353 T N 1.585 116.121 114.554 -0.031 0.000 2.887 353 T HA 0.883 5.233 4.350 -0.000 0.000 0.288 353 T C -0.431 174.243 174.700 -0.042 0.000 1.021 353 T CA -0.656 61.428 62.100 -0.027 0.000 1.000 353 T CB 2.088 70.936 68.868 -0.033 0.000 1.034 353 T HN 1.018 nan 8.240 nan 0.000 0.467 354 A N 1.817 124.639 122.820 0.004 0.000 2.350 354 A HA 0.807 5.127 4.320 -0.000 0.000 0.324 354 A C -0.142 177.505 177.584 0.105 0.000 1.118 354 A CA -0.855 51.200 52.037 0.030 0.000 0.783 354 A CB 1.255 20.288 19.000 0.055 0.000 1.236 354 A HN 0.915 nan 8.150 nan 0.000 0.457 355 T N 2.554 117.176 114.554 0.112 0.000 2.879 355 T HA 0.546 4.896 4.350 -0.000 0.000 0.290 355 T C -0.470 174.302 174.700 0.119 0.000 0.993 355 T CA -0.266 61.977 62.100 0.238 0.000 0.975 355 T CB 0.874 69.832 68.868 0.149 0.000 0.981 355 T HN 0.483 nan 8.240 nan 0.000 0.439 356 L N 2.147 123.343 121.223 -0.046 0.000 2.343 356 L HA 0.874 5.214 4.340 -0.000 0.000 0.275 356 L C 0.828 177.665 176.870 -0.054 0.000 1.056 356 L CA -0.436 54.317 54.840 -0.144 0.000 0.804 356 L CB 1.369 43.180 42.059 -0.413 0.000 1.203 356 L HN 0.876 nan 8.230 nan 0.000 0.440 357 G N -0.198 108.632 108.800 0.050 0.000 2.645 357 G HA2 0.560 4.520 3.960 -0.000 0.000 0.292 357 G HA3 0.560 4.520 3.960 -0.000 0.000 0.292 357 G C -0.904 174.080 174.900 0.140 0.000 1.415 357 G CA -0.330 44.821 45.100 0.086 0.000 0.785 357 G HN 0.542 nan 8.290 nan 0.000 0.483 358 T N -2.182 112.422 114.554 0.083 0.000 2.824 358 T HA 0.546 4.896 4.350 -0.000 0.000 0.277 358 T C 1.753 176.452 174.700 -0.001 0.000 0.975 358 T CA 0.634 62.751 62.100 0.029 0.000 0.966 358 T CB 1.467 70.343 68.868 0.014 0.000 1.054 358 T HN 1.392 nan 8.240 nan 0.000 0.533 359 A N 0.156 122.949 122.820 -0.045 0.000 2.070 359 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 359 A C 2.410 179.989 177.584 -0.008 0.000 1.159 359 A CA 0.810 52.827 52.037 -0.034 0.000 0.656 359 A CB -0.713 18.251 19.000 -0.059 0.000 0.800 359 A HN 0.839 nan 8.150 nan 0.000 0.453 360 R N -0.279 120.218 120.500 -0.004 0.000 2.236 360 R HA -0.024 4.316 4.340 -0.000 0.000 0.208 360 R C 0.130 176.439 176.300 0.015 0.000 1.036 360 R CA 0.940 57.043 56.100 0.005 0.000 1.001 360 R CB -0.026 30.276 30.300 0.003 0.000 0.896 360 R HN 0.411 nan 8.270 nan 0.000 0.464 361 D N 0.544 120.957 120.400 0.022 0.000 2.342 361 D HA 0.103 4.743 4.640 -0.000 0.000 0.221 361 D C -0.149 176.172 176.300 0.036 0.000 1.101 361 D CA 0.126 54.144 54.000 0.030 0.000 0.837 361 D CB 0.536 41.358 40.800 0.037 0.000 0.938 361 D HN 0.125 nan 8.370 nan 0.000 0.508 362 A N 0.791 123.631 122.820 0.033 0.000 2.363 362 A HA 0.233 4.553 4.320 -0.000 0.000 0.270 362 A C 0.391 177.999 177.584 0.041 0.000 1.121 362 A CA -0.403 51.658 52.037 0.040 0.000 0.800 362 A CB 0.740 19.762 19.000 0.037 0.000 1.052 362 A HN 0.079 nan 8.150 nan 0.000 0.493 363 Q N 1.776 121.605 119.800 0.048 0.000 2.296 363 Q HA 0.402 4.742 4.340 -0.000 0.000 0.262 363 Q C -1.110 174.917 176.000 0.045 0.000 0.981 363 Q CA -0.249 55.584 55.803 0.050 0.000 0.905 363 Q CB 0.659 29.433 28.738 0.060 0.000 1.186 363 Q HN 0.514 nan 8.270 nan 0.000 0.399 364 V N 6.725 126.664 119.914 0.041 0.000 2.334 364 V HA 0.181 4.301 4.120 -0.000 0.000 0.267 364 V C 0.094 176.211 176.094 0.040 0.000 1.040 364 V CA -0.396 61.927 62.300 0.038 0.000 0.866 364 V CB 0.515 32.358 31.823 0.033 0.000 1.019 364 V HN 0.744 nan 8.190 nan 0.000 0.468 365 L N 4.120 125.367 121.223 0.039 0.000 2.369 365 L HA 0.256 4.596 4.340 -0.000 0.000 0.279 365 L C 0.590 177.481 176.870 0.035 0.000 1.108 365 L CA -0.127 54.737 54.840 0.039 0.000 0.852 365 L CB 0.533 42.615 42.059 0.039 0.000 1.169 365 L HN 0.614 nan 8.230 nan 0.000 0.452 366 D N 2.774 123.195 120.400 0.035 0.000 2.713 366 D HA 0.059 4.699 4.640 -0.000 0.000 0.229 366 D C 0.205 176.522 176.300 0.028 0.000 1.136 366 D CA -0.312 53.706 54.000 0.032 0.000 1.010 366 D CB 0.264 41.084 40.800 0.034 0.000 1.084 366 D HN 0.369 nan 8.370 nan 0.000 0.495 367 E N 1.299 121.515 120.200 0.027 0.000 2.349 367 E HA 0.145 4.495 4.350 -0.000 0.000 0.265 367 E C 0.645 177.256 176.600 0.018 0.000 1.064 367 E CA -0.547 55.869 56.400 0.026 0.000 0.886 367 E CB 1.009 30.726 29.700 0.029 0.000 1.036 367 E HN 0.300 nan 8.360 nan 0.000 0.413 368 L N 3.363 124.595 121.223 0.015 0.000 2.044 368 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 368 L C 1.862 178.736 176.870 0.006 0.000 1.075 368 L CA 1.857 56.698 54.840 0.002 0.000 0.747 368 L CB -0.297 41.757 42.059 -0.008 0.000 0.903 368 L HN 0.815 nan 8.230 nan 0.000 0.435 369 M N -1.245 118.364 119.600 0.015 0.000 2.200 369 M HA 0.153 4.633 4.480 -0.000 0.000 0.265 369 M C 0.758 177.067 176.300 0.015 0.000 1.066 369 M CA 1.062 56.370 55.300 0.015 0.000 1.127 369 M CB -0.332 32.279 32.600 0.018 0.000 1.379 369 M HN 0.391 nan 8.290 nan 0.000 0.420 370 G N 0.087 108.897 108.800 0.017 0.000 2.655 370 G HA2 0.225 4.185 3.960 -0.000 0.000 0.296 370 G HA3 0.225 4.185 3.960 -0.000 0.000 0.296 370 G C -1.793 173.119 174.900 0.020 0.000 1.485 370 G CA -0.773 44.337 45.100 0.017 0.000 0.869 370 G HN 0.150 nan 8.290 nan 0.000 0.540 371 E N 0.612 120.823 120.200 0.019 0.000 2.351 371 E HA 0.405 4.755 4.350 -0.000 0.000 0.266 371 E C 0.433 177.047 176.600 0.023 0.000 1.031 371 E CA -0.167 56.246 56.400 0.022 0.000 0.911 371 E CB 0.437 30.150 29.700 0.021 0.000 0.986 371 E HN 0.582 nan 8.360 nan 0.000 0.446 372 R N 1.744 122.260 120.500 0.026 0.000 2.771 372 R HA 0.503 4.843 4.340 -0.000 0.000 0.274 372 R C -0.948 175.372 176.300 0.033 0.000 0.987 372 R CA -0.987 55.131 56.100 0.029 0.000 0.908 372 R CB 1.817 32.135 30.300 0.030 0.000 1.213 372 R HN 0.317 nan 8.270 nan 0.000 0.468 373 T N 0.009 114.584 114.554 0.035 0.000 2.918 373 T HA 0.351 4.701 4.350 -0.000 0.000 0.286 373 T C -1.276 173.454 174.700 0.051 0.000 1.026 373 T CA -0.605 61.518 62.100 0.040 0.000 1.031 373 T CB 1.331 70.219 68.868 0.033 0.000 1.046 373 T HN 0.591 nan 8.240 nan 0.000 0.479 374 D N 2.177 122.612 120.400 0.059 0.000 2.344 374 D HA 0.420 5.060 4.640 -0.000 0.000 0.239 374 D C 0.768 177.122 176.300 0.090 0.000 1.064 374 D CA -0.293 53.755 54.000 0.080 0.000 0.829 374 D CB 1.977 42.822 40.800 0.075 0.000 1.129 374 D HN 0.538 nan 8.370 nan 0.000 0.506 375 T N 1.240 115.868 114.554 0.123 0.000 2.901 375 T HA 0.019 4.369 4.350 -0.000 0.000 0.252 375 T C 0.634 175.459 174.700 0.208 0.000 1.035 375 T CA 0.337 62.523 62.100 0.144 0.000 1.142 375 T CB -0.033 68.922 68.868 0.146 0.000 0.869 375 T HN 0.308 nan 8.240 nan 0.000 0.442 376 F N 2.183 122.185 119.950 0.087 0.000 2.404 376 F HA 0.585 5.112 4.527 -0.000 0.000 0.345 376 F C -1.001 174.857 175.800 0.097 0.000 1.110 376 F CA -1.481 56.581 58.000 0.103 0.000 1.130 376 F CB 0.436 39.502 39.000 0.110 0.000 1.129 376 F HN -0.047 nan 8.300 nan 0.000 0.500 377 L N 7.224 128.111 121.223 -0.559 0.000 2.385 377 L HA 0.451 4.791 4.340 -0.000 0.000 0.273 377 L C -1.373 175.145 176.870 -0.587 0.000 0.990 377 L CA -0.705 53.896 54.840 -0.399 0.000 0.821 377 L CB 2.102 44.077 42.059 -0.140 0.000 1.279 377 L HN 0.578 nan 8.230 nan 0.000 0.412 378 F N 2.329 121.975 119.950 -0.506 0.000 2.507 378 F HA 0.527 5.054 4.527 0.000 0.000 0.325 378 F C -0.290 175.304 175.800 -0.343 0.000 1.116 378 F CA -0.328 57.477 58.000 -0.324 0.000 0.930 378 F CB 1.294 40.221 39.000 -0.121 0.000 1.146 378 F HN 0.396 nan 8.300 nan 0.000 0.447 379 H N 4.960 124.081 119.070 0.085 0.000 2.609 379 H HA 0.190 4.746 4.556 -0.000 0.000 0.344 379 H C -1.698 173.797 175.328 0.278 0.000 1.040 379 H CA -0.567 55.581 56.048 0.165 0.000 1.216 379 H CB 2.144 31.921 29.762 0.025 0.000 1.529 379 H HN 0.649 nan 8.280 nan 0.000 0.519 380 Y N 3.460 123.946 120.300 0.310 0.000 2.352 380 Y HA 0.282 4.832 4.550 0.000 0.000 0.339 380 Y C -0.842 175.183 175.900 0.209 0.000 0.992 380 Y CA -0.607 57.655 58.100 0.270 0.000 1.100 380 Y CB 0.966 39.584 38.460 0.264 0.000 1.192 380 Y HN 0.507 nan 8.280 nan 0.000 0.458 381 N N 6.325 124.859 118.700 -0.277 0.000 2.410 381 N HA 0.209 4.949 4.740 -0.000 0.000 0.287 381 N C -1.997 173.331 175.510 -0.303 0.000 1.044 381 N CA -0.425 52.529 53.050 -0.160 0.000 0.881 381 N CB 1.666 40.103 38.487 -0.082 0.000 1.405 381 N HN 0.635 nan 8.380 nan 0.000 0.490 382 F N 4.198 124.009 119.950 -0.232 0.000 2.363 382 F HA 0.462 4.989 4.527 0.000 0.000 0.366 382 F C -2.243 173.454 175.800 -0.173 0.000 1.083 382 F CA -1.863 56.019 58.000 -0.197 0.000 1.176 382 F CB 0.941 39.954 39.000 0.022 0.000 1.432 382 F HN 0.274 nan 8.300 nan 0.000 0.482 383 P HA 0.276 nan 4.420 nan 0.000 0.276 383 P C -2.204 174.726 177.300 -0.616 0.000 1.244 383 P CA -1.563 61.242 63.100 -0.492 0.000 0.801 383 P CB 0.497 31.829 31.700 -0.613 0.000 1.006 384 P HA -0.143 nan 4.420 nan 0.000 0.223 384 P C 1.202 178.382 177.300 -0.199 0.000 1.151 384 P CA 1.287 64.267 63.100 -0.199 0.000 0.787 384 P CB -0.365 31.302 31.700 -0.054 0.000 0.788 385 Y N 0.583 120.788 120.300 -0.159 0.000 2.421 385 Y HA 0.041 4.591 4.550 -0.000 0.000 0.292 385 Y C 1.112 176.915 175.900 -0.162 0.000 1.136 385 Y CA -0.143 57.876 58.100 -0.134 0.000 1.255 385 Y CB -1.573 36.822 38.460 -0.109 0.000 0.991 385 Y HN -0.122 nan 8.280 nan 0.000 0.552 386 S N -0.186 115.200 115.700 -0.522 0.000 2.576 386 S HA 0.257 4.727 4.470 -0.000 0.000 0.276 386 S C 0.878 175.326 174.600 -0.253 0.000 1.339 386 S CA -0.087 57.873 58.200 -0.399 0.000 1.039 386 S CB 1.510 64.290 63.200 -0.700 0.000 0.902 386 S HN 0.650 nan 8.310 nan 0.000 0.516 387 V N 1.070 120.912 119.914 -0.119 0.000 1.963 387 V HA -0.249 3.871 4.120 -0.000 0.000 0.089 387 V C 1.310 177.357 176.094 -0.079 0.000 0.495 387 V CA 1.640 63.898 62.300 -0.070 0.000 1.412 387 V CB -2.382 29.434 31.823 -0.011 0.000 1.645 387 V HN 2.294 nan 8.190 nan 0.000 0.889 388 G N 0.025 108.789 108.800 -0.059 0.000 2.353 388 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.294 388 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.294 388 G C -0.304 174.577 174.900 -0.031 0.000 1.077 388 G CA 0.860 45.941 45.100 -0.032 0.000 1.098 388 G HN 0.803 nan 8.290 nan 0.000 0.511 389 E N -1.074 119.109 120.200 -0.029 0.000 2.450 389 E HA 0.747 5.097 4.350 -0.000 0.000 0.272 389 E C -0.120 176.476 176.600 -0.007 0.000 0.967 389 E CA -0.464 55.926 56.400 -0.018 0.000 0.818 389 E CB 1.716 31.405 29.700 -0.018 0.000 1.401 389 E HN 0.452 nan 8.360 nan 0.000 0.450 390 T N -1.453 113.100 114.554 -0.002 0.000 2.824 390 T HA 0.795 5.145 4.350 -0.000 0.000 0.282 390 T C -0.089 174.613 174.700 0.004 0.000 0.993 390 T CA -0.788 61.315 62.100 0.004 0.000 0.967 390 T CB 1.621 70.492 68.868 0.006 0.000 0.960 390 T HN 0.575 nan 8.240 nan 0.000 0.441 391 G N 0.319 109.122 108.800 0.006 0.000 2.684 391 G HA2 0.640 4.600 3.960 -0.000 0.000 0.290 391 G HA3 0.640 4.600 3.960 -0.000 0.000 0.290 391 G C -0.505 174.401 174.900 0.011 0.000 1.425 391 G CA -0.664 44.441 45.100 0.009 0.000 0.822 391 G HN 1.209 nan 8.290 nan 0.000 0.482 392 M N 0.985 120.592 119.600 0.011 0.000 3.011 392 M HA 0.588 5.068 4.480 -0.000 0.000 0.292 392 M C 0.375 176.686 176.300 0.017 0.000 1.440 392 M CA -0.575 54.733 55.300 0.012 0.000 1.552 392 M CB -0.067 32.538 32.600 0.009 0.000 1.187 392 M HN 1.085 nan 8.290 nan 0.000 0.520 393 V N 4.400 124.325 119.914 0.018 0.000 2.409 393 V HA 0.499 4.619 4.120 -0.000 0.000 0.270 393 V C 1.093 177.199 176.094 0.020 0.000 1.019 393 V CA 1.382 63.694 62.300 0.020 0.000 1.066 393 V CB 0.159 31.993 31.823 0.018 0.000 1.021 393 V HN 0.972 nan 8.190 nan 0.000 0.476 394 G N 4.758 113.572 108.800 0.024 0.000 2.797 394 G HA2 0.429 4.389 3.960 -0.000 0.000 0.211 394 G HA3 0.429 4.389 3.960 -0.000 0.000 0.211 394 G C 0.198 175.112 174.900 0.023 0.000 1.236 394 G CA 0.671 45.784 45.100 0.020 0.000 0.833 394 G HN 0.723 nan 8.290 nan 0.000 0.624 395 S N -0.013 115.707 115.700 0.033 0.000 2.643 395 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 395 S C -3.001 171.633 174.600 0.058 0.000 1.166 395 S CA -0.738 57.485 58.200 0.038 0.000 0.815 395 S CB 1.500 64.719 63.200 0.031 0.000 1.139 395 S HN 0.352 nan 8.310 nan 0.000 0.472 396 P HA -0.053 nan 4.420 nan 0.000 0.263 396 P C -0.599 176.756 177.300 0.091 0.000 1.145 396 P CA 0.598 63.758 63.100 0.100 0.000 0.755 396 P CB 0.272 32.033 31.700 0.101 0.000 0.746 397 K N 2.610 123.079 120.400 0.114 0.000 2.836 397 K HA 0.305 4.625 4.320 -0.000 0.000 0.300 397 K C 1.825 178.470 176.600 0.074 0.000 1.004 397 K CA -0.625 55.719 56.287 0.094 0.000 1.140 397 K CB 0.487 33.059 32.500 0.120 0.000 1.458 397 K HN 0.253 nan 8.250 nan 0.000 0.550 398 R N 0.519 121.050 120.500 0.053 0.000 2.123 398 R HA 0.105 4.445 4.340 -0.000 0.000 0.209 398 R C 2.247 178.544 176.300 -0.005 0.000 1.078 398 R CA 0.689 56.801 56.100 0.019 0.000 1.028 398 R CB 0.119 30.421 30.300 0.004 0.000 0.939 398 R HN 0.306 nan 8.270 nan 0.000 0.463 399 R N 0.665 121.178 120.500 0.022 0.000 2.210 399 R HA 0.028 4.368 4.340 -0.000 0.000 0.203 399 R C 1.632 178.006 176.300 0.123 0.000 1.010 399 R CA 0.595 56.692 56.100 -0.006 0.000 1.008 399 R CB 0.183 30.556 30.300 0.122 0.000 0.923 399 R HN 0.262 nan 8.270 nan 0.000 0.469 400 E N 0.735 121.060 120.200 0.208 0.000 2.204 400 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 400 E C 1.683 178.419 176.600 0.227 0.000 0.990 400 E CA 0.937 57.553 56.400 0.360 0.000 0.821 400 E CB 0.026 29.946 29.700 0.367 0.000 0.750 400 E HN 0.350 nan 8.360 nan 0.000 0.477 401 I N 0.274 120.902 120.570 0.097 0.000 2.277 401 I HA -0.085 4.085 4.170 -0.000 0.000 0.243 401 I C 2.547 178.631 176.117 -0.055 0.000 1.094 401 I CA 0.956 62.281 61.300 0.043 0.000 1.393 401 I CB -0.371 37.646 38.000 0.029 0.000 1.078 401 I HN 0.103 nan 8.210 nan 0.000 0.417 402 G N 0.208 108.912 108.800 -0.159 0.000 2.422 402 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 402 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 402 G C 1.503 176.174 174.900 -0.382 0.000 1.146 402 G CA 0.601 45.527 45.100 -0.290 0.000 0.769 402 G HN 0.381 nan 8.290 nan 0.000 0.547 403 H N 0.484 119.372 119.070 -0.302 0.000 2.502 403 H HA 0.021 4.577 4.556 -0.000 0.000 0.283 403 H C 2.759 177.831 175.328 -0.427 0.000 1.015 403 H CA 0.861 56.600 56.048 -0.515 0.000 1.298 403 H CB -0.265 28.875 29.762 -1.037 0.000 1.411 403 H HN 0.389 nan 8.280 nan 0.000 0.556 404 G N 0.865 109.604 108.800 -0.101 0.000 2.394 404 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 404 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 404 G C 1.990 176.847 174.900 -0.072 0.000 1.165 404 G CA 0.328 45.474 45.100 0.076 0.000 0.784 404 G HN 0.241 nan 8.290 nan 0.000 0.535 405 R N 0.123 120.566 120.500 -0.094 0.000 2.148 405 R HA 0.233 4.573 4.340 -0.000 0.000 0.223 405 R C 2.354 178.560 176.300 -0.157 0.000 1.088 405 R CA 0.644 56.683 56.100 -0.102 0.000 0.985 405 R CB -0.760 29.492 30.300 -0.079 0.000 0.880 405 R HN 0.387 nan 8.270 nan 0.000 0.451 406 L N -0.435 120.674 121.223 -0.190 0.000 2.012 406 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 406 L C 1.966 178.695 176.870 -0.235 0.000 1.073 406 L CA 1.873 56.599 54.840 -0.190 0.000 0.748 406 L CB -0.400 41.555 42.059 -0.173 0.000 0.891 406 L HN 0.330 nan 8.230 nan 0.000 0.431 407 A N -0.948 121.655 122.820 -0.361 0.000 2.067 407 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 407 A C 2.305 179.447 177.584 -0.737 0.000 1.156 407 A CA 1.386 53.082 52.037 -0.569 0.000 0.683 407 A CB -0.352 18.192 19.000 -0.759 0.000 0.808 407 A HN 0.428 nan 8.150 nan 0.000 0.455 408 K N -0.135 119.912 120.400 -0.587 0.000 2.057 408 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 408 K C 2.120 178.696 176.600 -0.040 0.000 1.050 408 K CA 1.169 57.380 56.287 -0.127 0.000 0.935 408 K CB -0.134 32.410 32.500 0.073 0.000 0.715 408 K HN 0.406 nan 8.250 nan 0.000 0.439 409 R N -0.695 119.744 120.500 -0.103 0.000 2.148 409 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 409 R C 2.171 178.410 176.300 -0.101 0.000 1.103 409 R CA 1.048 57.098 56.100 -0.085 0.000 0.983 409 R CB -0.110 30.137 30.300 -0.087 0.000 0.874 409 R HN 0.291 nan 8.270 nan 0.000 0.451 410 G N -0.424 108.299 108.800 -0.128 0.000 2.650 410 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.214 410 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.214 410 G C 1.104 175.946 174.900 -0.098 0.000 1.136 410 G CA 0.235 45.268 45.100 -0.111 0.000 0.789 410 G HN 0.137 nan 8.290 nan 0.000 0.536 411 V N -0.293 119.558 119.914 -0.106 0.000 3.572 411 V HA 0.168 4.288 4.120 -0.000 0.000 0.260 411 V C 2.196 178.130 176.094 -0.268 0.000 1.324 411 V CA 0.047 62.272 62.300 -0.125 0.000 1.068 411 V CB 0.537 32.367 31.823 0.011 0.000 0.837 411 V HN 0.262 nan 8.190 nan 0.000 0.450 412 L N 1.778 122.850 121.223 -0.250 0.000 2.043 412 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 412 L C 2.441 179.198 176.870 -0.188 0.000 1.075 412 L CA 2.592 57.272 54.840 -0.267 0.000 0.752 412 L CB -0.539 41.449 42.059 -0.118 0.000 0.891 412 L HN 0.276 nan 8.230 nan 0.000 0.432 413 A N -1.751 120.991 122.820 -0.130 0.000 1.968 413 A HA -0.070 4.249 4.320 -0.000 0.000 0.217 413 A C 2.162 179.689 177.584 -0.095 0.000 1.169 413 A CA 1.567 53.549 52.037 -0.092 0.000 0.638 413 A CB -0.745 18.214 19.000 -0.069 0.000 0.812 413 A HN 0.299 nan 8.150 nan 0.000 0.446 414 V N -0.702 119.142 119.914 -0.117 0.000 2.591 414 V HA -0.046 4.074 4.120 -0.000 0.000 0.249 414 V C 1.362 177.383 176.094 -0.121 0.000 1.053 414 V CA 0.916 63.154 62.300 -0.103 0.000 1.068 414 V CB -0.841 30.925 31.823 -0.094 0.000 0.689 414 V HN 0.598 nan 8.190 nan 0.000 0.462 415 M N 2.535 122.022 119.600 -0.189 0.000 2.269 415 M HA 0.191 4.671 4.480 -0.000 0.000 0.350 415 M C -2.027 174.218 176.300 -0.092 0.000 1.429 415 M CA -2.122 53.060 55.300 -0.195 0.000 1.063 415 M CB 0.046 32.414 32.600 -0.386 0.000 1.841 415 M HN 0.011 nan 8.290 nan 0.000 0.455 416 P HA 0.144 nan 4.420 nan 0.000 0.272 416 P C -1.189 176.152 177.300 0.069 0.000 1.230 416 P CA -0.406 62.700 63.100 0.011 0.000 0.788 416 P CB 0.229 31.935 31.700 0.011 0.000 0.949 417 D N 1.096 121.537 120.400 0.069 0.000 2.398 417 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 417 D C 1.368 177.735 176.300 0.111 0.000 1.227 417 D CA -0.376 53.669 54.000 0.074 0.000 0.980 417 D CB 0.258 41.085 40.800 0.045 0.000 1.106 417 D HN 0.107 nan 8.370 nan 0.000 0.493 418 M N 0.063 119.709 119.600 0.076 0.000 2.296 418 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 418 M C 0.817 177.133 176.300 0.027 0.000 1.064 418 M CA 1.046 56.375 55.300 0.048 0.000 1.109 418 M CB -0.665 31.944 32.600 0.016 0.000 1.396 418 M HN 0.424 nan 8.290 nan 0.000 0.430 419 D N 0.454 120.875 120.400 0.035 0.000 2.117 419 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 419 D C 1.938 178.267 176.300 0.047 0.000 0.982 419 D CA 1.218 55.233 54.000 0.025 0.000 0.828 419 D CB -0.035 40.778 40.800 0.022 0.000 0.967 419 D HN 0.360 nan 8.370 nan 0.000 0.464 420 K N -1.129 119.323 120.400 0.087 0.000 2.211 420 K HA 0.043 4.363 4.320 -0.000 0.000 0.201 420 K C 0.145 176.887 176.600 0.236 0.000 1.052 420 K CA 0.183 56.546 56.287 0.126 0.000 0.973 420 K CB 0.604 33.171 32.500 0.111 0.000 0.766 420 K HN 0.023 nan 8.250 nan 0.000 0.466 421 F N 2.317 122.298 119.950 0.051 0.000 2.902 421 F HA 0.256 4.783 4.527 -0.000 0.000 0.368 421 F C -2.728 173.120 175.800 0.081 0.000 1.202 421 F CA -2.649 55.414 58.000 0.105 0.000 1.109 421 F CB 1.715 40.785 39.000 0.118 0.000 1.418 421 F HN -0.194 nan 8.300 nan 0.000 0.527 422 P HA 0.237 nan 4.420 nan 0.000 0.209 422 P C -1.673 175.138 177.300 -0.816 0.000 1.843 422 P CA 0.105 62.936 63.100 -0.447 0.000 0.985 422 P CB -0.441 31.016 31.700 -0.406 0.000 1.904 423 Y N -0.626 119.376 120.300 -0.497 0.000 2.504 423 Y HA 0.351 4.901 4.550 -0.000 0.000 0.344 423 Y C 0.803 176.659 175.900 -0.074 0.000 1.023 423 Y CA -0.803 57.079 58.100 -0.364 0.000 1.020 423 Y CB 1.862 39.952 38.460 -0.616 0.000 1.282 423 Y HN -0.097 nan 8.280 nan 0.000 0.454 424 T N 0.178 114.814 114.554 0.136 0.000 2.761 424 T HA 0.602 4.952 4.350 -0.000 0.000 0.296 424 T C -0.570 174.230 174.700 0.168 0.000 0.934 424 T CA -0.580 61.605 62.100 0.142 0.000 1.091 424 T CB 0.295 69.214 68.868 0.085 0.000 0.896 424 T HN 0.321 nan 8.240 nan 0.000 0.515 425 V N 4.353 124.388 119.914 0.203 0.000 2.417 425 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 425 V C 0.296 176.389 176.094 -0.001 0.000 1.024 425 V CA -1.030 61.371 62.300 0.169 0.000 0.861 425 V CB 1.472 33.478 31.823 0.306 0.000 0.985 425 V HN 0.946 nan 8.190 nan 0.000 0.436 426 R N 3.523 124.002 120.500 -0.035 0.000 2.343 426 R HA 0.708 5.048 4.340 -0.000 0.000 0.320 426 R C -1.630 174.564 176.300 -0.178 0.000 0.956 426 R CA -0.381 55.643 56.100 -0.126 0.000 0.836 426 R CB 1.700 31.985 30.300 -0.024 0.000 1.151 426 R HN 0.568 nan 8.270 nan 0.000 0.450 427 V N 5.622 125.303 119.914 -0.389 0.000 2.357 427 V HA 0.358 4.478 4.120 -0.000 0.000 0.284 427 V C -0.405 175.327 176.094 -0.604 0.000 1.018 427 V CA -0.747 61.255 62.300 -0.497 0.000 0.841 427 V CB 1.649 33.078 31.823 -0.657 0.000 0.991 427 V HN 0.484 nan 8.190 nan 0.000 0.437 428 V N 3.696 123.413 119.914 -0.329 0.000 2.448 428 V HA 0.511 4.631 4.120 -0.000 0.000 0.295 428 V C 0.167 176.179 176.094 -0.137 0.000 1.025 428 V CA -0.292 61.896 62.300 -0.187 0.000 0.859 428 V CB 1.875 33.648 31.823 -0.085 0.000 0.988 428 V HN 0.831 nan 8.190 nan 0.000 0.431 429 S N 3.667 119.338 115.700 -0.049 0.000 2.437 429 S HA 0.517 4.987 4.470 -0.000 0.000 0.305 429 S C -0.599 173.975 174.600 -0.044 0.000 1.109 429 S CA -0.636 57.583 58.200 0.031 0.000 1.099 429 S CB 0.819 64.158 63.200 0.230 0.000 1.004 429 S HN 0.713 nan 8.310 nan 0.000 0.475 430 E N 4.374 124.550 120.200 -0.039 0.000 2.102 430 E HA 0.294 4.644 4.350 -0.000 0.000 0.263 430 E C -0.384 176.170 176.600 -0.078 0.000 0.894 430 E CA -0.634 55.722 56.400 -0.073 0.000 0.746 430 E CB 0.918 30.610 29.700 -0.013 0.000 1.129 430 E HN 0.558 nan 8.360 nan 0.000 0.416 431 I N 2.550 123.006 120.570 -0.190 0.000 2.533 431 I HA 0.031 4.201 4.170 -0.000 0.000 0.284 431 I C 1.328 177.311 176.117 -0.223 0.000 1.109 431 I CA 0.368 61.566 61.300 -0.170 0.000 1.412 431 I CB 0.439 38.332 38.000 -0.178 0.000 1.396 431 I HN 0.337 nan 8.210 nan 0.000 0.543 432 T N 4.830 119.338 114.554 -0.076 0.000 3.026 432 T HA 0.173 4.523 4.350 -0.000 0.000 0.245 432 T C 0.480 175.173 174.700 -0.013 0.000 1.004 432 T CA 0.214 62.336 62.100 0.038 0.000 1.069 432 T CB 0.576 69.515 68.868 0.119 0.000 1.005 432 T HN 0.535 nan 8.240 nan 0.000 0.472 433 E N 0.715 120.903 120.200 -0.020 0.000 2.293 433 E HA 0.622 4.972 4.350 -0.000 0.000 0.270 433 E C -1.377 175.238 176.600 0.026 0.000 0.879 433 E CA -0.474 55.921 56.400 -0.007 0.000 0.756 433 E CB 2.392 32.104 29.700 0.020 0.000 1.208 433 E HN -0.012 nan 8.360 nan 0.000 0.428 434 S N 2.207 117.933 115.700 0.043 0.000 2.776 434 S HA 0.444 4.914 4.470 -0.000 0.000 0.284 434 S C -1.400 173.266 174.600 0.110 0.000 1.160 434 S CA -0.626 57.654 58.200 0.133 0.000 1.051 434 S CB 0.417 63.791 63.200 0.291 0.000 1.037 434 S HN 0.501 nan 8.310 nan 0.000 0.485 435 N N 3.183 121.949 118.700 0.108 0.000 2.679 435 N HA 0.456 5.196 4.740 -0.000 0.000 0.240 435 N C -0.070 175.500 175.510 0.100 0.000 1.537 435 N CA 0.777 53.890 53.050 0.106 0.000 0.793 435 N CB 0.649 39.192 38.487 0.094 0.000 1.391 435 N HN 0.964 nan 8.380 nan 0.000 0.524 436 G N -0.324 108.528 108.800 0.087 0.000 2.217 436 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.126 436 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.126 436 G C -1.315 173.611 174.900 0.045 0.000 1.293 436 G CA -0.289 44.847 45.100 0.060 0.000 1.219 436 G HN 0.318 nan 8.290 nan 0.000 0.477 437 S N 0.359 116.096 115.700 0.061 0.000 2.455 437 S HA 0.531 5.001 4.470 -0.000 0.000 0.278 437 S C 1.171 175.825 174.600 0.089 0.000 1.216 437 S CA 0.969 59.202 58.200 0.055 0.000 1.055 437 S CB 0.944 64.187 63.200 0.071 0.000 0.939 437 S HN 1.212 nan 8.310 nan 0.000 0.494 438 S N 3.337 119.073 115.700 0.060 0.000 2.506 438 S HA 0.104 4.574 4.470 -0.000 0.000 0.219 438 S C 1.793 176.501 174.600 0.180 0.000 1.031 438 S CA 0.407 58.697 58.200 0.149 0.000 0.911 438 S CB -0.020 63.293 63.200 0.188 0.000 0.812 438 S HN 0.688 nan 8.310 nan 0.000 0.497 439 S N 1.894 117.608 115.700 0.023 0.000 2.371 439 S HA 0.091 4.561 4.470 -0.000 0.000 0.224 439 S C 1.760 176.387 174.600 0.044 0.000 1.029 439 S CA 0.871 59.070 58.200 -0.001 0.000 0.978 439 S CB -0.206 62.964 63.200 -0.049 0.000 0.833 439 S HN 0.406 nan 8.310 nan 0.000 0.466 440 M N 1.246 120.869 119.600 0.038 0.000 2.419 440 M HA 0.211 4.691 4.480 -0.000 0.000 0.264 440 M C 2.263 178.582 176.300 0.031 0.000 1.082 440 M CA 0.513 55.825 55.300 0.020 0.000 1.119 440 M CB -1.521 31.093 32.600 0.024 0.000 1.398 440 M HN 0.360 nan 8.290 nan 0.000 0.453 441 A N -0.423 122.472 122.820 0.125 0.000 2.015 441 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 441 A C 2.429 180.103 177.584 0.151 0.000 1.163 441 A CA 1.697 53.859 52.037 0.209 0.000 0.646 441 A CB -0.507 18.683 19.000 0.316 0.000 0.806 441 A HN 0.447 nan 8.150 nan 0.000 0.448 442 S N -0.465 115.345 115.700 0.184 0.000 2.414 442 S HA -0.065 4.405 4.470 -0.000 0.000 0.227 442 S C 1.824 176.541 174.600 0.194 0.000 1.022 442 S CA 1.167 59.519 58.200 0.253 0.000 0.958 442 S CB -0.228 63.219 63.200 0.412 0.000 0.797 442 S HN 0.357 nan 8.310 nan 0.000 0.493 443 V N 1.172 121.118 119.914 0.053 0.000 2.358 443 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 443 V C 2.405 178.451 176.094 -0.080 0.000 1.047 443 V CA 1.418 63.712 62.300 -0.009 0.000 1.035 443 V CB -0.985 30.796 31.823 -0.070 0.000 0.658 443 V HN 0.571 nan 8.190 nan 0.000 0.452 444 C N 0.969 120.109 119.300 -0.267 0.000 2.446 444 C HA -0.018 4.441 4.460 -0.000 0.000 0.277 444 C C 2.905 177.689 174.990 -0.344 0.000 1.275 444 C CA 0.762 59.461 59.018 -0.533 0.000 1.727 444 C CB -1.666 25.192 27.740 -1.469 0.000 2.010 444 C HN 0.665 nan 8.230 nan 0.000 0.486 445 G N 0.127 108.822 108.800 -0.175 0.000 2.448 445 G HA2 0.099 4.059 3.960 -0.000 0.000 0.218 445 G HA3 0.099 4.059 3.960 -0.000 0.000 0.218 445 G C 1.816 176.765 174.900 0.081 0.000 1.135 445 G CA 0.879 46.002 45.100 0.038 0.000 0.784 445 G HN 0.598 nan 8.290 nan 0.000 0.543 446 A N 0.666 123.567 122.820 0.134 0.000 1.898 446 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 446 A C 2.591 180.252 177.584 0.128 0.000 1.181 446 A CA 2.180 54.341 52.037 0.206 0.000 0.620 446 A CB -0.694 18.576 19.000 0.450 0.000 0.819 446 A HN 0.381 nan 8.150 nan 0.000 0.442 447 S N -0.678 115.061 115.700 0.066 0.000 2.402 447 S HA -0.023 4.447 4.470 -0.000 0.000 0.229 447 S C 1.831 176.443 174.600 0.021 0.000 1.021 447 S CA 1.181 59.397 58.200 0.027 0.000 0.974 447 S CB -0.445 62.747 63.200 -0.013 0.000 0.800 447 S HN 0.484 nan 8.310 nan 0.000 0.484 448 L N 0.749 121.987 121.223 0.026 0.000 2.179 448 L HA 0.110 4.450 4.340 -0.000 0.000 0.208 448 L C 2.816 179.710 176.870 0.041 0.000 1.096 448 L CA 1.009 55.871 54.840 0.037 0.000 0.779 448 L CB -0.515 41.581 42.059 0.062 0.000 0.922 448 L HN 0.351 nan 8.230 nan 0.000 0.443 449 A N -0.001 122.848 122.820 0.049 0.000 1.930 449 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 449 A C 2.225 179.834 177.584 0.040 0.000 1.176 449 A CA 0.956 53.020 52.037 0.045 0.000 0.632 449 A CB -0.460 18.565 19.000 0.042 0.000 0.819 449 A HN 0.320 nan 8.150 nan 0.000 0.445 450 L N -1.169 120.081 121.223 0.044 0.000 2.156 450 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 450 L C 2.704 179.567 176.870 -0.012 0.000 1.095 450 L CA 1.038 55.895 54.840 0.028 0.000 0.770 450 L CB -0.335 41.749 42.059 0.041 0.000 0.914 450 L HN 0.394 nan 8.230 nan 0.000 0.439 451 M N -0.810 118.786 119.600 -0.006 0.000 2.254 451 M HA -0.190 4.290 4.480 -0.000 0.000 0.265 451 M C 1.684 177.979 176.300 -0.008 0.000 1.066 451 M CA 1.444 56.734 55.300 -0.017 0.000 1.123 451 M CB -0.268 32.328 32.600 -0.008 0.000 1.388 451 M HN 0.141 nan 8.290 nan 0.000 0.425 452 D N 0.286 120.691 120.400 0.009 0.000 2.194 452 D HA -0.028 4.612 4.640 -0.000 0.000 0.204 452 D C 1.840 178.154 176.300 0.022 0.000 0.964 452 D CA 1.316 55.326 54.000 0.017 0.000 0.846 452 D CB 0.224 41.039 40.800 0.026 0.000 0.962 452 D HN 0.253 nan 8.370 nan 0.000 0.490 453 A N -0.547 122.287 122.820 0.024 0.000 1.968 453 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 453 A C 1.916 179.497 177.584 -0.006 0.000 1.169 453 A CA 1.456 53.514 52.037 0.036 0.000 0.638 453 A CB -0.461 18.567 19.000 0.046 0.000 0.812 453 A HN 0.509 nan 8.150 nan 0.000 0.446 454 G N -2.000 106.776 108.800 -0.041 0.000 2.135 454 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.183 454 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.183 454 G C -0.039 174.754 174.900 -0.180 0.000 1.004 454 G CA -0.092 44.966 45.100 -0.070 0.000 0.677 454 G HN 0.796 nan 8.290 nan 0.000 0.512 455 V N 2.331 122.095 119.914 -0.250 0.000 2.427 455 V HA 0.372 4.492 4.120 -0.000 0.000 0.268 455 V C -1.178 174.680 176.094 -0.392 0.000 1.046 455 V CA -1.063 60.917 62.300 -0.533 0.000 0.970 455 V CB 1.243 32.834 31.823 -0.385 0.000 1.001 455 V HN 0.250 nan 8.190 nan 0.000 0.476 456 P HA 0.173 nan 4.420 nan 0.000 0.249 456 P C -0.210 176.984 177.300 -0.177 0.000 1.737 456 P CA -0.228 62.734 63.100 -0.229 0.000 1.128 456 P CB -0.228 31.373 31.700 -0.164 0.000 1.942 457 I N -1.266 119.217 120.570 -0.144 0.000 2.945 457 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 457 I C 1.551 177.626 176.117 -0.070 0.000 1.093 457 I CA -0.347 60.891 61.300 -0.102 0.000 1.336 457 I CB 0.401 38.349 38.000 -0.086 0.000 1.435 457 I HN -0.105 nan 8.210 nan 0.000 0.593 458 K N 2.559 122.924 120.400 -0.058 0.000 1.973 458 K HA 0.265 4.585 4.320 -0.000 0.000 0.210 458 K C 0.486 177.065 176.600 -0.036 0.000 1.045 458 K CA 1.651 57.913 56.287 -0.042 0.000 0.937 458 K CB -0.265 32.211 32.500 -0.039 0.000 0.721 458 K HN 0.852 nan 8.250 nan 0.000 0.438 459 A N -0.100 122.698 122.820 -0.038 0.000 2.606 459 A HA 0.645 4.965 4.320 -0.000 0.000 0.293 459 A C -1.453 176.112 177.584 -0.032 0.000 1.082 459 A CA -0.689 51.329 52.037 -0.030 0.000 0.685 459 A CB 1.309 20.295 19.000 -0.024 0.000 1.284 459 A HN 0.221 nan 8.150 nan 0.000 0.408 460 A N -0.054 122.750 122.820 -0.026 0.000 2.531 460 A HA 0.489 4.809 4.320 -0.000 0.000 0.236 460 A C 0.074 177.638 177.584 -0.033 0.000 1.062 460 A CA 0.463 52.483 52.037 -0.027 0.000 0.760 460 A CB 0.089 19.076 19.000 -0.021 0.000 0.995 460 A HN 2.113 nan 8.150 nan 0.000 0.501 461 V N 1.915 121.804 119.914 -0.042 0.000 2.577 461 V HA 0.755 4.875 4.120 -0.000 0.000 0.303 461 V C 0.053 176.102 176.094 -0.075 0.000 1.042 461 V CA 0.303 62.573 62.300 -0.050 0.000 0.872 461 V CB 1.399 33.193 31.823 -0.049 0.000 0.998 461 V HN 1.665 nan 8.190 nan 0.000 0.423 462 A N 4.372 127.148 122.820 -0.073 0.000 2.435 462 A HA 1.054 5.374 4.320 -0.000 0.000 0.296 462 A C -0.083 177.458 177.584 -0.071 0.000 1.147 462 A CA -0.249 51.724 52.037 -0.107 0.000 0.775 462 A CB 2.054 21.002 19.000 -0.086 0.000 1.340 462 A HN 1.708 nan 8.150 nan 0.000 0.427 463 G N -0.266 108.489 108.800 -0.074 0.000 2.667 463 G HA2 0.605 4.565 3.960 -0.000 0.000 0.298 463 G HA3 0.605 4.565 3.960 -0.000 0.000 0.298 463 G C -1.323 173.591 174.900 0.022 0.000 1.377 463 G CA -0.332 44.752 45.100 -0.027 0.000 0.964 463 G HN 0.490 nan 8.290 nan 0.000 0.493 464 I N 0.076 120.674 120.570 0.046 0.000 3.074 464 I HA 0.787 4.957 4.170 -0.000 0.000 0.310 464 I C -0.008 176.156 176.117 0.080 0.000 1.153 464 I CA -1.366 59.982 61.300 0.079 0.000 0.993 464 I CB 1.851 39.909 38.000 0.096 0.000 1.237 464 I HN 0.692 nan 8.210 nan 0.000 0.443 465 A N 5.076 127.950 122.820 0.090 0.000 2.355 465 A HA 0.886 5.206 4.320 -0.000 0.000 0.317 465 A C -0.762 176.890 177.584 0.113 0.000 1.094 465 A CA -0.568 51.526 52.037 0.095 0.000 0.764 465 A CB 1.589 20.628 19.000 0.065 0.000 1.230 465 A HN 0.575 nan 8.150 nan 0.000 0.448 466 M N 1.904 121.600 119.600 0.159 0.000 2.456 466 M HA 0.557 5.037 4.480 -0.000 0.000 0.324 466 M C 0.379 176.747 176.300 0.114 0.000 1.124 466 M CA -0.386 54.991 55.300 0.128 0.000 0.959 466 M CB 1.339 34.008 32.600 0.115 0.000 1.692 466 M HN 0.845 nan 8.290 nan 0.000 0.444 467 G N 1.362 110.199 108.800 0.062 0.000 2.537 467 G HA2 0.829 4.789 3.960 -0.000 0.000 0.323 467 G HA3 0.829 4.789 3.960 -0.000 0.000 0.323 467 G C -2.002 172.916 174.900 0.030 0.000 1.207 467 G CA -0.467 44.663 45.100 0.051 0.000 0.976 467 G HN 0.577 nan 8.290 nan 0.000 0.487 468 L N -0.126 121.116 121.223 0.032 0.000 2.482 468 L HA 0.655 4.995 4.340 -0.000 0.000 0.263 468 L C -1.170 175.719 176.870 0.032 0.000 0.957 468 L CA -0.585 54.273 54.840 0.029 0.000 0.836 468 L CB 2.471 44.537 42.059 0.012 0.000 1.324 468 L HN 0.364 nan 8.230 nan 0.000 0.406 469 V N 4.522 124.461 119.914 0.041 0.000 2.407 469 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 469 V C -0.443 175.683 176.094 0.052 0.000 1.018 469 V CA -0.638 61.681 62.300 0.032 0.000 0.842 469 V CB 1.577 33.409 31.823 0.015 0.000 0.996 469 V HN 0.719 nan 8.190 nan 0.000 0.426 470 K N 3.325 123.750 120.400 0.043 0.000 2.443 470 K HA 0.699 5.019 4.320 -0.000 0.000 0.252 470 K C -1.316 175.303 176.600 0.032 0.000 0.933 470 K CA -0.633 55.688 56.287 0.056 0.000 0.792 470 K CB 2.184 34.711 32.500 0.045 0.000 1.185 470 K HN 0.671 nan 8.250 nan 0.000 0.425 471 E N 2.715 122.936 120.200 0.035 0.000 2.409 471 E HA 0.386 4.736 4.350 -0.000 0.000 0.259 471 E C 0.136 176.749 176.600 0.022 0.000 0.932 471 E CA 0.457 56.868 56.400 0.019 0.000 0.809 471 E CB 1.045 30.750 29.700 0.008 0.000 1.341 471 E HN 0.813 nan 8.360 nan 0.000 0.405 472 G N 4.913 113.723 108.800 0.017 0.000 4.026 472 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.309 472 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.309 472 G C 0.557 175.474 174.900 0.028 0.000 1.411 472 G CA 0.750 45.860 45.100 0.016 0.000 1.037 472 G HN 0.709 nan 8.290 nan 0.000 0.687 473 D N 0.662 121.091 120.400 0.048 0.000 2.490 473 D HA 0.158 4.798 4.640 -0.000 0.000 0.246 473 D C 0.337 176.737 176.300 0.168 0.000 1.196 473 D CA 0.099 54.151 54.000 0.087 0.000 0.812 473 D CB -0.724 40.114 40.800 0.063 0.000 1.191 473 D HN 0.549 nan 8.370 nan 0.000 0.531 474 N N 0.565 119.325 118.700 0.100 0.000 2.458 474 N HA 0.390 5.130 4.740 -0.000 0.000 0.270 474 N C -1.090 174.489 175.510 0.115 0.000 1.102 474 N CA -0.367 52.713 53.050 0.051 0.000 0.967 474 N CB 0.559 39.038 38.487 -0.013 0.000 1.078 474 N HN 0.222 nan 8.380 nan 0.000 0.471 475 Y N -1.189 119.093 120.300 -0.030 0.000 2.534 475 Y HA 0.740 5.290 4.550 -0.000 0.000 0.345 475 Y C -1.473 174.405 175.900 -0.036 0.000 1.031 475 Y CA -1.289 56.790 58.100 -0.034 0.000 1.022 475 Y CB 0.864 39.299 38.460 -0.042 0.000 1.292 475 Y HN 0.086 nan 8.280 nan 0.000 0.459 476 V N 3.754 123.705 119.914 0.063 0.000 2.483 476 V HA 0.457 4.577 4.120 -0.000 0.000 0.297 476 V C -0.647 175.484 176.094 0.062 0.000 1.027 476 V CA -0.934 61.367 62.300 0.001 0.000 0.855 476 V CB 1.614 33.420 31.823 -0.029 0.000 0.995 476 V HN 0.770 nan 8.190 nan 0.000 0.424 477 V N 6.407 126.356 119.914 0.059 0.000 2.432 477 V HA 0.429 4.549 4.120 -0.000 0.000 0.275 477 V C -0.117 175.982 176.094 0.009 0.000 1.043 477 V CA -0.380 61.939 62.300 0.032 0.000 0.925 477 V CB 1.245 33.077 31.823 0.015 0.000 0.985 477 V HN 0.590 nan 8.190 nan 0.000 0.466 478 L N 3.921 125.150 121.223 0.010 0.000 2.334 478 L HA 0.588 4.928 4.340 -0.000 0.000 0.275 478 L C 0.345 177.228 176.870 0.022 0.000 1.036 478 L CA 0.368 55.218 54.840 0.017 0.000 0.807 478 L CB 1.929 44.003 42.059 0.026 0.000 1.231 478 L HN 0.626 nan 8.230 nan 0.000 0.438 479 S N 0.599 116.316 115.700 0.028 0.000 2.473 479 S HA 0.367 4.837 4.470 -0.000 0.000 0.307 479 S C -0.889 173.744 174.600 0.054 0.000 1.094 479 S CA -0.544 57.680 58.200 0.040 0.000 1.070 479 S CB 1.095 64.314 63.200 0.031 0.000 1.019 479 S HN 0.714 nan 8.310 nan 0.000 0.480 480 D N 2.043 122.485 120.400 0.070 0.000 3.082 480 D HA -0.171 4.469 4.640 -0.000 0.000 0.234 480 D C -0.037 176.305 176.300 0.070 0.000 1.159 480 D CA 0.479 54.527 54.000 0.080 0.000 0.875 480 D CB -1.218 39.637 40.800 0.091 0.000 0.946 480 D HN 0.601 nan 8.370 nan 0.000 0.411 481 I N -1.602 119.007 120.570 0.065 0.000 2.779 481 I HA 0.366 4.536 4.170 -0.000 0.000 0.285 481 I C 0.852 177.008 176.117 0.065 0.000 1.134 481 I CA -0.995 60.340 61.300 0.059 0.000 1.398 481 I CB 0.474 38.503 38.000 0.049 0.000 1.404 481 I HN 0.020 nan 8.210 nan 0.000 0.587 482 L N 3.383 124.651 121.223 0.076 0.000 2.543 482 L HA 0.403 4.743 4.340 -0.000 0.000 0.231 482 L C 1.821 178.749 176.870 0.095 0.000 1.194 482 L CA 0.579 55.477 54.840 0.097 0.000 0.823 482 L CB 0.522 42.655 42.059 0.123 0.000 1.374 482 L HN 0.839 nan 8.230 nan 0.000 0.507 483 G N -1.332 107.553 108.800 0.142 0.000 2.408 483 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 483 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 483 G C 0.985 176.059 174.900 0.290 0.000 1.150 483 G CA 0.481 45.686 45.100 0.175 0.000 0.776 483 G HN 0.674 nan 8.290 nan 0.000 0.542 484 D N 0.525 121.117 120.400 0.320 0.000 2.224 484 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 484 D C 2.224 178.635 176.300 0.185 0.000 0.965 484 D CA 0.618 54.810 54.000 0.320 0.000 0.852 484 D CB -0.047 40.953 40.800 0.333 0.000 0.947 484 D HN 0.443 nan 8.370 nan 0.000 0.494 485 E N -0.178 120.097 120.200 0.126 0.000 2.478 485 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 485 E C 0.897 177.521 176.600 0.041 0.000 1.045 485 E CA 0.237 56.679 56.400 0.070 0.000 0.868 485 E CB 0.389 30.126 29.700 0.062 0.000 0.885 485 E HN 0.125 nan 8.360 nan 0.000 0.505 486 D N -0.658 119.747 120.400 0.009 0.000 2.323 486 D HA -0.024 4.616 4.640 -0.000 0.000 0.218 486 D C 1.442 177.697 176.300 -0.076 0.000 0.973 486 D CA 0.872 54.828 54.000 -0.073 0.000 0.890 486 D CB 0.260 40.953 40.800 -0.178 0.000 1.011 486 D HN 0.162 nan 8.370 nan 0.000 0.499 487 H N -0.671 118.461 119.070 0.104 0.000 2.395 487 H HA 0.177 4.733 4.556 -0.000 0.000 0.299 487 H C 1.450 176.847 175.328 0.116 0.000 1.070 487 H CA 0.937 57.061 56.048 0.126 0.000 1.356 487 H CB 0.302 30.166 29.762 0.171 0.000 1.401 487 H HN 0.105 nan 8.280 nan 0.000 0.524 488 L N 0.141 121.473 121.223 0.182 0.000 2.607 488 L HA 0.223 4.563 4.340 -0.000 0.000 0.228 488 L C 1.434 178.329 176.870 0.041 0.000 1.123 488 L CA -0.322 54.560 54.840 0.070 0.000 0.890 488 L CB 0.229 42.270 42.059 -0.029 0.000 1.103 488 L HN 0.167 nan 8.230 nan 0.000 0.468 489 G N -0.550 108.281 108.800 0.052 0.000 2.621 489 G HA2 0.133 4.093 3.960 -0.000 0.000 0.271 489 G HA3 0.133 4.093 3.960 -0.000 0.000 0.271 489 G C -0.191 174.734 174.900 0.041 0.000 1.236 489 G CA -0.190 44.932 45.100 0.036 0.000 0.958 489 G HN 0.010 nan 8.290 nan 0.000 0.512 490 D N -1.433 118.988 120.400 0.035 0.000 2.422 490 D HA 0.160 4.800 4.640 -0.000 0.000 0.218 490 D C 0.613 176.935 176.300 0.037 0.000 1.047 490 D CA 0.471 54.491 54.000 0.033 0.000 0.885 490 D CB 0.446 41.261 40.800 0.024 0.000 1.035 490 D HN 0.229 nan 8.370 nan 0.000 0.502 491 M N 0.648 120.274 119.600 0.044 0.000 2.378 491 M HA 0.257 4.737 4.480 -0.000 0.000 0.289 491 M C -2.005 174.343 176.300 0.079 0.000 1.136 491 M CA -0.679 54.659 55.300 0.064 0.000 0.917 491 M CB 2.649 35.294 32.600 0.075 0.000 1.669 491 M HN -0.341 nan 8.290 nan 0.000 0.461 492 D N 3.698 124.145 120.400 0.077 0.000 2.460 492 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 492 D C -1.862 174.496 176.300 0.098 0.000 1.079 492 D CA 0.076 54.119 54.000 0.072 0.000 0.864 492 D CB 0.472 41.285 40.800 0.022 0.000 1.048 492 D HN 0.438 nan 8.370 nan 0.000 0.523 493 F N 3.735 123.677 119.950 -0.013 0.000 2.293 493 F HA 0.350 4.877 4.527 -0.000 0.000 0.370 493 F C 0.132 175.925 175.800 -0.012 0.000 1.090 493 F CA -0.771 57.220 58.000 -0.016 0.000 1.133 493 F CB 0.418 39.409 39.000 -0.016 0.000 1.360 493 F HN -0.014 nan 8.300 nan 0.000 0.489 494 K N 4.800 125.102 120.400 -0.162 0.000 2.227 494 K HA 0.580 4.900 4.320 -0.000 0.000 0.280 494 K C -1.097 175.417 176.600 -0.142 0.000 1.041 494 K CA -0.613 55.617 56.287 -0.095 0.000 0.905 494 K CB 1.892 34.334 32.500 -0.097 0.000 1.068 494 K HN 0.276 nan 8.250 nan 0.000 0.470 495 V N 1.817 121.717 119.914 -0.024 0.000 2.588 495 V HA 0.671 4.791 4.120 -0.000 0.000 0.304 495 V C -0.747 175.337 176.094 -0.015 0.000 1.042 495 V CA -0.966 61.327 62.300 -0.012 0.000 0.877 495 V CB 1.680 33.557 31.823 0.089 0.000 0.996 495 V HN 0.877 nan 8.190 nan 0.000 0.425 496 A N 2.935 125.732 122.820 -0.038 0.000 2.398 496 A HA 1.038 5.358 4.320 -0.000 0.000 0.301 496 A C -0.094 177.465 177.584 -0.041 0.000 1.041 496 A CA 0.087 52.098 52.037 -0.044 0.000 0.711 496 A CB 1.889 20.848 19.000 -0.067 0.000 1.240 496 A HN 1.600 nan 8.150 nan 0.000 0.420 497 G N 0.034 108.813 108.800 -0.035 0.000 2.441 497 G HA2 0.635 4.595 3.960 -0.000 0.000 0.294 497 G HA3 0.635 4.595 3.960 -0.000 0.000 0.294 497 G C -0.218 174.665 174.900 -0.028 0.000 1.393 497 G CA 0.274 45.354 45.100 -0.033 0.000 0.796 497 G HN 1.647 nan 8.290 nan 0.000 0.494 498 S N -0.788 114.896 115.700 -0.026 0.000 2.623 498 S HA 0.444 4.914 4.470 -0.000 0.000 0.278 498 S C 1.505 176.099 174.600 -0.010 0.000 1.148 498 S CA 0.099 58.285 58.200 -0.022 0.000 1.028 498 S CB 1.465 64.650 63.200 -0.025 0.000 1.145 498 S HN 0.824 nan 8.310 nan 0.000 0.523 499 R N 0.659 121.155 120.500 -0.007 0.000 2.115 499 R HA -0.047 4.293 4.340 -0.000 0.000 0.226 499 R C -0.059 176.241 176.300 0.001 0.000 1.100 499 R CA 1.684 57.785 56.100 0.001 0.000 0.980 499 R CB -0.352 29.949 30.300 0.003 0.000 0.875 499 R HN 0.860 nan 8.270 nan 0.000 0.445 500 D N -1.076 119.321 120.400 -0.005 0.000 2.891 500 D HA 0.277 4.917 4.640 -0.000 0.000 0.312 500 D C -0.161 176.132 176.300 -0.011 0.000 1.354 500 D CA -0.194 53.803 54.000 -0.005 0.000 0.838 500 D CB 0.753 41.550 40.800 -0.005 0.000 1.117 500 D HN 0.276 nan 8.370 nan 0.000 0.473 501 G N -0.518 108.274 108.800 -0.013 0.000 2.325 501 G HA2 0.368 4.328 3.960 -0.000 0.000 0.297 501 G HA3 0.368 4.328 3.960 -0.000 0.000 0.297 501 G C -1.840 173.045 174.900 -0.024 0.000 1.448 501 G CA -1.066 44.020 45.100 -0.022 0.000 0.838 501 G HN 0.128 nan 8.290 nan 0.000 0.579 502 I N 1.566 122.117 120.570 -0.033 0.000 2.362 502 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 502 I C 1.415 177.503 176.117 -0.048 0.000 0.994 502 I CA -0.508 60.771 61.300 -0.035 0.000 1.158 502 I CB 2.129 40.111 38.000 -0.030 0.000 1.315 502 I HN 0.662 nan 8.210 nan 0.000 0.451 503 S N 4.448 120.117 115.700 -0.051 0.000 2.404 503 S HA 0.366 4.836 4.470 -0.000 0.000 0.223 503 S C 0.715 175.275 174.600 -0.067 0.000 1.040 503 S CA 0.196 58.359 58.200 -0.061 0.000 0.957 503 S CB 0.338 63.499 63.200 -0.066 0.000 0.826 503 S HN 0.687 nan 8.310 nan 0.000 0.491 504 A N 0.497 123.274 122.820 -0.072 0.000 2.549 504 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 504 A C -1.638 175.888 177.584 -0.096 0.000 1.061 504 A CA -0.662 51.324 52.037 -0.085 0.000 0.690 504 A CB 1.663 20.605 19.000 -0.096 0.000 1.287 504 A HN 0.575 nan 8.150 nan 0.000 0.402 505 L N 0.785 121.937 121.223 -0.118 0.000 2.464 505 L HA 0.730 5.070 4.340 -0.000 0.000 0.266 505 L C -0.735 176.008 176.870 -0.211 0.000 0.965 505 L CA 0.058 54.793 54.840 -0.174 0.000 0.833 505 L CB 2.110 44.071 42.059 -0.164 0.000 1.296 505 L HN 0.853 nan 8.230 nan 0.000 0.405 506 Q N 4.830 124.460 119.800 -0.283 0.000 2.305 506 Q HA 0.687 5.027 4.340 -0.000 0.000 0.271 506 Q C -1.896 173.887 176.000 -0.361 0.000 1.046 506 Q CA -0.613 55.036 55.803 -0.257 0.000 0.798 506 Q CB 2.046 30.677 28.738 -0.178 0.000 1.286 506 Q HN 0.782 nan 8.270 nan 0.000 0.435 507 M N 3.170 122.598 119.600 -0.286 0.000 2.190 507 M HA 0.387 4.867 4.480 -0.000 0.000 0.312 507 M C -1.462 174.774 176.300 -0.107 0.000 0.990 507 M CA -0.703 54.451 55.300 -0.244 0.000 0.927 507 M CB 1.767 34.237 32.600 -0.216 0.000 1.571 507 M HN 0.424 nan 8.290 nan 0.000 0.427 508 D N 4.914 125.280 120.400 -0.057 0.000 2.458 508 D HA 0.434 5.074 4.640 -0.000 0.000 0.258 508 D C -0.604 175.703 176.300 0.012 0.000 1.134 508 D CA -0.054 53.934 54.000 -0.021 0.000 0.915 508 D CB 0.777 41.566 40.800 -0.019 0.000 1.028 508 D HN 0.454 nan 8.370 nan 0.000 0.508 509 I N 1.302 121.879 120.570 0.012 0.000 2.365 509 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 509 I C 1.594 177.721 176.117 0.018 0.000 1.004 509 I CA -0.335 60.977 61.300 0.021 0.000 1.311 509 I CB 1.610 39.617 38.000 0.012 0.000 1.401 509 I HN -0.054 nan 8.210 nan 0.000 0.491 510 K N 5.335 125.750 120.400 0.024 0.000 2.334 510 K HA 0.254 4.574 4.320 -0.000 0.000 0.195 510 K C 0.496 177.102 176.600 0.010 0.000 1.045 510 K CA 0.333 56.637 56.287 0.029 0.000 1.004 510 K CB 0.270 32.798 32.500 0.048 0.000 0.837 510 K HN 0.589 nan 8.250 nan 0.000 0.510 511 I N -1.150 119.421 120.570 0.002 0.000 2.797 511 I HA 0.168 4.338 4.170 -0.000 0.000 0.310 511 I C 0.195 176.292 176.117 -0.032 0.000 0.990 511 I CA -0.521 60.771 61.300 -0.013 0.000 1.228 511 I CB 0.970 38.965 38.000 -0.008 0.000 1.406 511 I HN -0.102 nan 8.210 nan 0.000 0.534 512 E N 1.924 122.099 120.200 -0.043 0.000 2.419 512 E HA 0.235 4.585 4.350 -0.000 0.000 0.190 512 E C 0.187 176.756 176.600 -0.051 0.000 1.040 512 E CA -0.292 56.073 56.400 -0.057 0.000 0.900 512 E CB 0.720 30.377 29.700 -0.072 0.000 1.054 512 E HN 0.868 nan 8.360 nan 0.000 0.462 513 G N 1.567 110.338 108.800 -0.047 0.000 2.814 513 G HA2 0.465 4.425 3.960 -0.000 0.000 0.300 513 G HA3 0.465 4.425 3.960 -0.000 0.000 0.300 513 G C -0.636 174.221 174.900 -0.072 0.000 1.406 513 G CA -0.306 44.763 45.100 -0.053 0.000 1.041 513 G HN -0.019 nan 8.290 nan 0.000 0.532 514 I N 2.641 123.158 120.570 -0.088 0.000 2.499 514 I HA 0.458 4.628 4.170 -0.000 0.000 0.288 514 I C 0.345 176.380 176.117 -0.136 0.000 1.048 514 I CA -0.563 60.667 61.300 -0.117 0.000 1.062 514 I CB 1.833 39.764 38.000 -0.115 0.000 1.238 514 I HN 0.530 nan 8.210 nan 0.000 0.426 515 T N 1.672 116.133 114.554 -0.155 0.000 2.940 515 T HA 0.426 4.776 4.350 -0.000 0.000 0.288 515 T C 0.809 175.423 174.700 -0.144 0.000 1.045 515 T CA -0.785 61.229 62.100 -0.143 0.000 1.018 515 T CB 2.536 71.319 68.868 -0.142 0.000 1.151 515 T HN 0.577 nan 8.240 nan 0.000 0.529 516 K N -0.147 120.188 120.400 -0.108 0.000 2.288 516 K HA -0.072 4.248 4.320 -0.000 0.000 0.201 516 K C 1.621 178.165 176.600 -0.093 0.000 1.048 516 K CA 1.124 57.360 56.287 -0.084 0.000 0.956 516 K CB -0.017 32.454 32.500 -0.050 0.000 0.746 516 K HN 0.630 nan 8.250 nan 0.000 0.461 517 E N 0.703 120.833 120.200 -0.117 0.000 2.046 517 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 517 E C 1.848 178.324 176.600 -0.207 0.000 0.982 517 E CA 1.463 57.791 56.400 -0.120 0.000 0.800 517 E CB -0.219 29.426 29.700 -0.092 0.000 0.756 517 E HN 0.508 nan 8.360 nan 0.000 0.449 518 I N -2.118 118.237 120.570 -0.359 0.000 2.546 518 I HA -0.103 4.067 4.170 -0.000 0.000 0.255 518 I C 2.028 177.948 176.117 -0.328 0.000 1.163 518 I CA 1.151 62.157 61.300 -0.490 0.000 1.457 518 I CB -0.233 37.369 38.000 -0.664 0.000 1.092 518 I HN 0.005 nan 8.210 nan 0.000 0.434 519 M N 0.470 119.929 119.600 -0.235 0.000 2.288 519 M HA -0.105 4.375 4.480 -0.000 0.000 0.266 519 M C 2.413 178.603 176.300 -0.183 0.000 1.072 519 M CA 1.462 56.645 55.300 -0.195 0.000 1.132 519 M CB -0.245 32.341 32.600 -0.023 0.000 1.386 519 M HN 0.396 nan 8.290 nan 0.000 0.432 520 Q N 0.381 120.105 119.800 -0.126 0.000 2.083 520 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 520 Q C 1.869 177.815 176.000 -0.091 0.000 0.969 520 Q CA 1.267 57.025 55.803 -0.075 0.000 0.838 520 Q CB 0.234 28.946 28.738 -0.043 0.000 0.900 520 Q HN 0.330 nan 8.270 nan 0.000 0.436 521 V N 0.959 120.810 119.914 -0.104 0.000 2.427 521 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 521 V C 2.321 178.334 176.094 -0.136 0.000 1.051 521 V CA 1.664 63.924 62.300 -0.067 0.000 1.048 521 V CB -0.943 30.896 31.823 0.028 0.000 0.666 521 V HN 0.481 nan 8.190 nan 0.000 0.456 522 A N -0.355 122.290 122.820 -0.292 0.000 1.930 522 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 522 A C 2.132 179.472 177.584 -0.405 0.000 1.175 522 A CA 1.832 53.582 52.037 -0.479 0.000 0.627 522 A CB -0.411 18.000 19.000 -0.982 0.000 0.815 522 A HN 0.445 nan 8.150 nan 0.000 0.443 523 L N -0.181 120.868 121.223 -0.290 0.000 2.162 523 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 523 L C 1.903 178.782 176.870 0.015 0.000 1.086 523 L CA 2.024 56.868 54.840 0.006 0.000 0.778 523 L CB -0.555 41.575 42.059 0.120 0.000 0.928 523 L HN 0.415 nan 8.230 nan 0.000 0.446 524 N N -0.806 117.881 118.700 -0.021 0.000 2.270 524 N HA -0.216 4.524 4.740 -0.000 0.000 0.181 524 N C 1.864 177.373 175.510 -0.001 0.000 1.016 524 N CA 1.224 54.272 53.050 -0.003 0.000 0.870 524 N CB -0.027 38.456 38.487 -0.008 0.000 0.979 524 N HN 0.509 nan 8.380 nan 0.000 0.431 525 Q N -0.780 119.009 119.800 -0.018 0.000 2.245 525 Q HA 0.076 4.416 4.340 -0.000 0.000 0.201 525 Q C 1.653 177.661 176.000 0.013 0.000 0.955 525 Q CA 1.051 56.849 55.803 -0.008 0.000 0.870 525 Q CB -0.072 28.653 28.738 -0.023 0.000 0.945 525 Q HN 0.438 nan 8.270 nan 0.000 0.461 526 A N 0.925 123.759 122.820 0.023 0.000 2.014 526 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 526 A C 1.954 179.575 177.584 0.061 0.000 1.163 526 A CA 1.248 53.322 52.037 0.062 0.000 0.652 526 A CB -0.361 18.706 19.000 0.113 0.000 0.808 526 A HN 0.302 nan 8.150 nan 0.000 0.449 527 K N -0.431 119.998 120.400 0.048 0.000 2.097 527 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 527 K C 1.998 178.625 176.600 0.045 0.000 1.049 527 K CA 1.363 57.675 56.287 0.042 0.000 0.933 527 K CB -0.440 32.079 32.500 0.032 0.000 0.717 527 K HN 0.407 nan 8.250 nan 0.000 0.442 528 G N 0.219 109.043 108.800 0.041 0.000 2.402 528 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 528 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 528 G C 1.519 176.464 174.900 0.075 0.000 1.162 528 G CA 0.769 45.897 45.100 0.046 0.000 0.777 528 G HN 0.410 nan 8.290 nan 0.000 0.539 529 A N 0.286 123.151 122.820 0.075 0.000 2.015 529 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 529 A C 2.270 179.935 177.584 0.136 0.000 1.163 529 A CA 1.620 53.723 52.037 0.111 0.000 0.646 529 A CB -0.323 18.731 19.000 0.091 0.000 0.806 529 A HN 0.361 nan 8.150 nan 0.000 0.448 530 R N -0.970 119.587 120.500 0.096 0.000 2.062 530 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 530 R C 1.667 178.010 176.300 0.071 0.000 1.128 530 R CA 1.169 57.313 56.100 0.073 0.000 0.960 530 R CB -0.303 30.026 30.300 0.049 0.000 0.855 530 R HN 0.386 nan 8.270 nan 0.000 0.432 531 L N -0.099 121.170 121.223 0.077 0.000 2.201 531 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 531 L C 2.210 179.139 176.870 0.098 0.000 1.105 531 L CA 1.584 56.465 54.840 0.070 0.000 0.775 531 L CB -0.614 41.482 42.059 0.061 0.000 0.913 531 L HN 0.321 nan 8.230 nan 0.000 0.440 532 H N -0.492 118.603 119.070 0.041 0.000 2.357 532 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 532 H C 2.123 177.492 175.328 0.068 0.000 1.082 532 H CA 1.747 57.824 56.048 0.048 0.000 1.342 532 H CB 0.012 29.802 29.762 0.047 0.000 1.389 532 H HN 0.278 nan 8.280 nan 0.000 0.511 533 I N -0.134 120.411 120.570 -0.040 0.000 2.315 533 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 533 I C 2.120 178.229 176.117 -0.014 0.000 1.117 533 I CA 0.813 62.096 61.300 -0.028 0.000 1.404 533 I CB -0.187 37.881 38.000 0.114 0.000 1.071 533 I HN 0.249 nan 8.210 nan 0.000 0.419 534 L N 0.522 121.742 121.223 -0.005 0.000 2.083 534 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 534 L C 2.648 179.513 176.870 -0.009 0.000 1.083 534 L CA 1.492 56.328 54.840 -0.006 0.000 0.752 534 L CB -0.981 41.079 42.059 0.001 0.000 0.899 534 L HN 0.309 nan 8.230 nan 0.000 0.433 535 G N -0.611 108.177 108.800 -0.020 0.000 2.422 535 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 535 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 535 G C 1.518 176.401 174.900 -0.028 0.000 1.146 535 G CA 0.914 46.005 45.100 -0.016 0.000 0.769 535 G HN 0.238 nan 8.290 nan 0.000 0.547 536 V N 0.698 120.576 119.914 -0.061 0.000 2.591 536 V HA -0.054 4.066 4.120 -0.000 0.000 0.249 536 V C 2.766 178.869 176.094 0.015 0.000 1.053 536 V CA 1.539 63.817 62.300 -0.035 0.000 1.068 536 V CB -0.331 31.451 31.823 -0.068 0.000 0.689 536 V HN 0.334 nan 8.190 nan 0.000 0.462 537 M N -0.326 119.291 119.600 0.030 0.000 2.229 537 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 537 M C 2.107 178.420 176.300 0.021 0.000 1.063 537 M CA 1.652 56.977 55.300 0.042 0.000 1.114 537 M CB -0.332 32.284 32.600 0.027 0.000 1.387 537 M HN 0.346 nan 8.290 nan 0.000 0.420 538 E N -0.197 120.009 120.200 0.010 0.000 2.285 538 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 538 E C 1.916 178.521 176.600 0.008 0.000 0.997 538 E CA 0.594 56.998 56.400 0.007 0.000 0.845 538 E CB -0.054 29.648 29.700 0.004 0.000 0.782 538 E HN 0.536 nan 8.360 nan 0.000 0.491 539 Q N 0.307 120.112 119.800 0.009 0.000 2.230 539 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 539 Q C 1.863 177.870 176.000 0.012 0.000 0.963 539 Q CA 1.111 56.920 55.803 0.009 0.000 0.866 539 Q CB 0.106 28.849 28.738 0.007 0.000 0.931 539 Q HN 0.229 nan 8.270 nan 0.000 0.452 540 A N 0.293 123.124 122.820 0.018 0.000 1.862 540 A HA 0.187 4.507 4.320 -0.000 0.000 0.211 540 A C 0.841 178.435 177.584 0.016 0.000 1.220 540 A CA 0.426 52.475 52.037 0.020 0.000 0.616 540 A CB 0.157 19.176 19.000 0.031 0.000 0.878 540 A HN 0.319 nan 8.150 nan 0.000 0.453 541 I N -0.246 120.334 120.570 0.016 0.000 2.474 541 I HA 0.325 4.495 4.170 -0.000 0.000 0.294 541 I C 0.190 176.311 176.117 0.005 0.000 1.005 541 I CA -0.526 60.780 61.300 0.010 0.000 1.113 541 I CB 1.836 39.843 38.000 0.011 0.000 1.289 541 I HN 0.231 nan 8.210 nan 0.000 0.436 542 N N 3.278 121.979 118.700 0.002 0.000 2.516 542 N HA 0.285 5.024 4.740 -0.000 0.000 0.197 542 N C 0.086 175.593 175.510 -0.005 0.000 1.064 542 N CA 0.159 53.208 53.050 -0.000 0.000 0.866 542 N CB 1.303 39.791 38.487 0.001 0.000 1.255 542 N HN 0.666 nan 8.380 nan 0.000 0.447 543 A N 1.810 124.627 122.820 -0.006 0.000 2.422 543 A HA 0.669 4.989 4.320 -0.000 0.000 0.302 543 A C -2.453 175.122 177.584 -0.016 0.000 1.041 543 A CA -0.963 51.067 52.037 -0.011 0.000 0.708 543 A CB 1.078 20.073 19.000 -0.008 0.000 1.257 543 A HN -0.101 nan 8.150 nan 0.000 0.414 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.078 63.100 -0.037 0.000 0.800 544 P CB 0.000 31.661 31.700 -0.066 0.000 0.726