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 3gcm_1_C 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 SEAELLSEDQ 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 0.010 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.605 32.600 0.009 0.000 1.302 2 L N 2.721 123.952 121.223 0.013 0.000 2.514 2 L HA 0.240 4.580 4.340 -0.000 0.000 0.280 2 L C 0.297 177.176 176.870 0.016 0.000 1.223 2 L CA 1.013 55.862 54.840 0.015 0.000 0.864 2 L CB 0.060 42.130 42.059 0.017 0.000 1.118 2 L HN 0.702 nan 8.230 nan 0.000 0.494 3 N N 3.919 122.628 118.700 0.015 0.000 2.415 3 N HA 0.181 4.921 4.740 -0.000 0.000 0.248 3 N C -2.241 173.283 175.510 0.023 0.000 1.271 3 N CA -0.903 52.157 53.050 0.017 0.000 0.913 3 N CB 0.232 38.728 38.487 0.015 0.000 1.129 3 N HN 0.484 nan 8.380 nan 0.000 0.444 4 P HA 0.163 nan 4.420 nan 0.000 0.274 4 P C -0.807 176.513 177.300 0.034 0.000 1.231 4 P CA -0.149 62.972 63.100 0.035 0.000 0.790 4 P CB 0.660 32.386 31.700 0.042 0.000 0.951 5 I N 1.503 122.095 120.570 0.036 0.000 2.396 5 I HA 0.097 4.267 4.170 -0.000 0.000 0.289 5 I C 0.226 176.367 176.117 0.041 0.000 1.056 5 I CA 0.025 61.345 61.300 0.034 0.000 1.365 5 I CB 0.637 38.656 38.000 0.031 0.000 1.407 5 I HN 0.025 nan 8.210 nan 0.000 0.509 6 V N 7.186 127.124 119.914 0.041 0.000 2.540 6 V HA 0.556 4.675 4.120 -0.000 0.000 0.302 6 V C -0.102 176.026 176.094 0.056 0.000 1.035 6 V CA -0.846 61.483 62.300 0.048 0.000 0.873 6 V CB 1.814 33.662 31.823 0.041 0.000 0.992 6 V HN 0.682 nan 8.190 nan 0.000 0.428 7 R N 3.863 124.410 120.500 0.078 0.000 2.476 7 R HA 0.596 4.936 4.340 -0.000 0.000 0.305 7 R C -0.889 175.506 176.300 0.158 0.000 0.965 7 R CA -0.614 55.551 56.100 0.109 0.000 0.867 7 R CB 1.388 31.753 30.300 0.108 0.000 1.176 7 R HN 0.707 nan 8.270 nan 0.000 0.447 8 K N 4.330 124.819 120.400 0.148 0.000 2.203 8 K HA 0.503 4.822 4.320 -0.000 0.000 0.251 8 K C -1.204 175.543 176.600 0.244 0.000 0.944 8 K CA -0.708 55.648 56.287 0.115 0.000 0.829 8 K CB 1.565 34.093 32.500 0.045 0.000 1.125 8 K HN 0.473 nan 8.250 nan 0.000 0.430 9 F N -1.667 118.300 119.950 0.028 0.000 2.678 9 F HA 0.297 4.824 4.527 -0.000 0.000 0.308 9 F C -1.090 174.751 175.800 0.068 0.000 1.118 9 F CA -1.350 56.669 58.000 0.031 0.000 0.959 9 F CB 0.991 39.994 39.000 0.005 0.000 1.305 9 F HN 0.141 nan 8.300 nan 0.000 0.443 10 Q N 2.119 122.031 119.800 0.187 0.000 2.304 10 Q HA 0.163 4.503 4.340 -0.000 0.000 0.260 10 Q C -1.650 174.531 176.000 0.302 0.000 0.965 10 Q CA -0.015 55.871 55.803 0.138 0.000 0.898 10 Q CB 1.421 30.228 28.738 0.115 0.000 1.196 10 Q HN 0.763 nan 8.270 nan 0.000 0.402 11 Y N 2.187 122.514 120.300 0.045 0.000 2.646 11 Y HA 0.407 4.957 4.550 -0.000 0.000 0.334 11 Y C 0.679 176.626 175.900 0.079 0.000 1.004 11 Y CA 0.107 58.276 58.100 0.115 0.000 1.301 11 Y CB 0.245 38.774 38.460 0.115 0.000 1.093 11 Y HN 0.857 nan 8.280 nan 0.000 0.530 12 G N 4.140 112.946 108.800 0.011 0.000 2.557 12 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.292 12 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.292 12 G C 0.585 175.425 174.900 -0.101 0.000 1.162 12 G CA 0.539 45.578 45.100 -0.103 0.000 0.964 12 G HN 0.504 nan 8.290 nan 0.000 0.541 13 Q N 1.474 121.128 119.800 -0.244 0.000 2.280 13 Q HA 0.178 4.518 4.340 -0.000 0.000 0.201 13 Q C 0.293 176.043 176.000 -0.416 0.000 0.890 13 Q CA 0.402 56.007 55.803 -0.329 0.000 0.947 13 Q CB 0.686 29.170 28.738 -0.422 0.000 1.081 13 Q HN 0.727 nan 8.270 nan 0.000 0.502 14 H N 0.065 119.117 119.070 -0.030 0.000 2.710 14 H HA 0.405 4.961 4.556 -0.000 0.000 0.361 14 H C -0.366 174.938 175.328 -0.040 0.000 1.175 14 H CA -0.411 55.619 56.048 -0.030 0.000 1.206 14 H CB 1.692 31.433 29.762 -0.034 0.000 1.750 14 H HN -0.197 nan 8.280 nan 0.000 0.553 15 T N 2.027 116.631 114.554 0.082 0.000 2.758 15 T HA 0.317 4.667 4.350 -0.000 0.000 0.285 15 T C 0.126 174.742 174.700 -0.139 0.000 0.981 15 T CA -0.629 61.441 62.100 -0.049 0.000 0.965 15 T CB 0.801 69.653 68.868 -0.027 0.000 0.927 15 T HN 0.159 nan 8.240 nan 0.000 0.448 16 V N 4.164 123.845 119.914 -0.388 0.000 2.427 16 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 16 V C 0.371 176.243 176.094 -0.370 0.000 1.034 16 V CA -0.620 61.401 62.300 -0.465 0.000 0.893 16 V CB 1.564 32.893 31.823 -0.824 0.000 0.982 16 V HN 0.952 nan 8.190 nan 0.000 0.452 17 T N 6.565 121.033 114.554 -0.144 0.000 2.807 17 T HA 0.671 5.021 4.350 -0.000 0.000 0.279 17 T C -0.482 174.233 174.700 0.025 0.000 0.993 17 T CA -0.356 61.721 62.100 -0.038 0.000 0.970 17 T CB 1.070 69.931 68.868 -0.011 0.000 0.950 17 T HN 0.367 nan 8.240 nan 0.000 0.441 18 L N 3.069 124.336 121.223 0.073 0.000 2.319 18 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 18 L C 0.131 177.046 176.870 0.074 0.000 1.005 18 L CA -0.625 54.267 54.840 0.087 0.000 0.828 18 L CB 1.542 43.673 42.059 0.120 0.000 1.227 18 L HN 0.624 nan 8.230 nan 0.000 0.415 19 E N 2.627 122.873 120.200 0.076 0.000 2.187 19 E HA 0.592 4.942 4.350 -0.000 0.000 0.268 19 E C -1.326 175.327 176.600 0.088 0.000 0.896 19 E CA -0.316 56.130 56.400 0.078 0.000 0.766 19 E CB 2.301 32.050 29.700 0.081 0.000 1.142 19 E HN 0.470 nan 8.360 nan 0.000 0.408 20 T N 1.816 116.414 114.554 0.072 0.000 2.894 20 T HA 0.607 4.957 4.350 -0.000 0.000 0.309 20 T C 0.284 175.022 174.700 0.063 0.000 1.208 20 T CA 0.531 62.674 62.100 0.071 0.000 1.016 20 T CB 1.351 70.244 68.868 0.042 0.000 1.192 20 T HN 0.765 nan 8.240 nan 0.000 0.491 21 G N 2.364 111.205 108.800 0.068 0.000 2.278 21 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.210 21 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.210 21 G C 0.742 175.677 174.900 0.058 0.000 1.000 21 G CA 0.733 45.866 45.100 0.056 0.000 0.635 21 G HN 0.760 nan 8.290 nan 0.000 0.495 22 M N -0.110 119.530 119.600 0.068 0.000 2.800 22 M HA 0.587 5.067 4.480 -0.000 0.000 0.257 22 M C 0.874 177.211 176.300 0.062 0.000 1.309 22 M CA 0.427 55.758 55.300 0.053 0.000 1.202 22 M CB 0.403 33.025 32.600 0.036 0.000 1.273 22 M HN 0.181 nan 8.290 nan 0.000 0.528 23 M N 1.246 120.909 119.600 0.105 0.000 2.264 23 M HA 0.390 4.870 4.480 -0.000 0.000 0.352 23 M C 0.382 176.836 176.300 0.257 0.000 1.173 23 M CA -0.259 55.115 55.300 0.124 0.000 1.075 23 M CB 1.387 34.004 32.600 0.029 0.000 1.621 23 M HN 0.357 nan 8.290 nan 0.000 0.457 24 A N 2.519 125.466 122.820 0.211 0.000 2.303 24 A HA -0.207 4.112 4.320 -0.000 0.000 0.286 24 A C 0.784 178.449 177.584 0.136 0.000 1.429 24 A CA 0.768 52.933 52.037 0.212 0.000 0.738 24 A CB -1.274 17.942 19.000 0.361 0.000 1.149 24 A HN 1.006 nan 8.150 nan 0.000 0.364 25 R N -0.622 119.934 120.500 0.094 0.000 2.307 25 R HA -0.019 4.321 4.340 -0.000 0.000 0.199 25 R C 1.922 178.258 176.300 0.061 0.000 1.000 25 R CA 1.316 57.458 56.100 0.071 0.000 1.023 25 R CB 0.026 30.360 30.300 0.056 0.000 0.908 25 R HN 0.861 nan 8.270 nan 0.000 0.473 26 Q N -0.008 119.830 119.800 0.062 0.000 2.402 26 Q HA 0.185 4.525 4.340 -0.000 0.000 0.206 26 Q C 0.284 176.319 176.000 0.058 0.000 0.919 26 Q CA -0.008 55.828 55.803 0.055 0.000 0.923 26 Q CB 0.638 29.404 28.738 0.047 0.000 1.048 26 Q HN 0.214 nan 8.270 nan 0.000 0.515 27 A N 0.445 123.300 122.820 0.059 0.000 2.425 27 A HA 0.088 4.408 4.320 -0.000 0.000 0.242 27 A C 1.123 178.740 177.584 0.055 0.000 1.077 27 A CA -0.070 51.995 52.037 0.048 0.000 0.781 27 A CB 0.389 19.403 19.000 0.023 0.000 1.020 27 A HN 0.189 nan 8.150 nan 0.000 0.494 28 T N 0.751 115.345 114.554 0.067 0.000 2.720 28 T HA 0.178 4.528 4.350 -0.000 0.000 0.268 28 T C 0.800 175.530 174.700 0.050 0.000 1.037 28 T CA 1.881 64.039 62.100 0.097 0.000 1.144 28 T CB -0.282 68.666 68.868 0.133 0.000 0.864 28 T HN 1.452 nan 8.240 nan 0.000 0.444 29 A N -0.366 122.454 122.820 -0.001 0.000 2.589 29 A HA 0.792 5.112 4.320 -0.000 0.000 0.296 29 A C -1.589 175.949 177.584 -0.077 0.000 1.062 29 A CA -0.417 51.603 52.037 -0.029 0.000 0.686 29 A CB 1.322 20.290 19.000 -0.053 0.000 1.282 29 A HN 0.511 nan 8.150 nan 0.000 0.404 30 A N 0.681 123.453 122.820 -0.080 0.000 2.427 30 A HA 0.736 5.056 4.320 -0.000 0.000 0.298 30 A C -1.337 176.162 177.584 -0.141 0.000 1.036 30 A CA -0.455 51.468 52.037 -0.191 0.000 0.701 30 A CB 1.462 20.387 19.000 -0.126 0.000 1.250 30 A HN 1.681 nan 8.150 nan 0.000 0.412 31 V N 2.387 122.152 119.914 -0.248 0.000 2.638 31 V HA 0.572 4.692 4.120 -0.000 0.000 0.306 31 V C -0.488 175.592 176.094 -0.023 0.000 1.052 31 V CA -0.425 61.828 62.300 -0.078 0.000 0.885 31 V CB 1.807 33.596 31.823 -0.055 0.000 0.999 31 V HN 0.985 nan 8.190 nan 0.000 0.424 32 M N 6.257 125.966 119.600 0.182 0.000 2.063 32 M HA 0.596 5.075 4.480 -0.000 0.000 0.348 32 M C -1.063 175.317 176.300 0.132 0.000 1.180 32 M CA -0.020 55.439 55.300 0.264 0.000 1.059 32 M CB 0.986 33.772 32.600 0.309 0.000 1.544 32 M HN 0.428 nan 8.290 nan 0.000 0.447 33 V N 4.001 123.978 119.914 0.104 0.000 2.483 33 V HA 0.735 4.855 4.120 -0.000 0.000 0.295 33 V C -0.233 175.894 176.094 0.055 0.000 1.035 33 V CA -0.590 61.750 62.300 0.067 0.000 0.896 33 V CB 1.711 33.568 31.823 0.056 0.000 0.986 33 V HN 0.896 nan 8.190 nan 0.000 0.447 34 S N 4.701 120.415 115.700 0.024 0.000 2.538 34 S HA 0.689 5.159 4.470 -0.000 0.000 0.288 34 S C -0.637 173.945 174.600 -0.031 0.000 1.108 34 S CA -0.565 57.639 58.200 0.006 0.000 0.971 34 S CB 1.682 64.888 63.200 0.009 0.000 1.041 34 S HN 0.779 nan 8.310 nan 0.000 0.483 35 M N 3.003 122.578 119.600 -0.041 0.000 2.031 35 M HA 0.257 4.737 4.480 -0.000 0.000 0.273 35 M C -1.441 174.794 176.300 -0.109 0.000 0.904 35 M CA -0.141 55.109 55.300 -0.083 0.000 0.963 35 M CB 0.295 32.834 32.600 -0.101 0.000 1.707 35 M HN 0.637 nan 8.290 nan 0.000 0.427 36 D N 3.559 123.928 120.400 -0.050 0.000 2.803 36 D HA -0.189 4.450 4.640 -0.000 0.000 0.233 36 D C -0.048 176.239 176.300 -0.021 0.000 1.182 36 D CA 1.934 55.926 54.000 -0.013 0.000 0.726 36 D CB -0.647 40.172 40.800 0.031 0.000 0.987 36 D HN 0.907 nan 8.370 nan 0.000 0.412 37 D N -2.825 117.569 120.400 -0.010 0.000 2.603 37 D HA -0.162 4.478 4.640 -0.000 0.000 0.180 37 D C -0.022 176.279 176.300 0.002 0.000 0.972 37 D CA 1.787 55.788 54.000 0.001 0.000 1.022 37 D CB -1.272 39.533 40.800 0.007 0.000 1.079 37 D HN 0.453 nan 8.370 nan 0.000 0.455 38 T N 0.829 115.374 114.554 -0.015 0.000 2.727 38 T HA 0.617 4.966 4.350 -0.000 0.000 0.295 38 T C 0.205 174.914 174.700 0.014 0.000 0.915 38 T CA 0.413 62.511 62.100 -0.004 0.000 1.066 38 T CB 1.157 70.011 68.868 -0.024 0.000 0.891 38 T HN 0.341 nan 8.240 nan 0.000 0.516 39 A N 3.640 126.481 122.820 0.036 0.000 2.343 39 A HA 0.767 5.087 4.320 -0.000 0.000 0.316 39 A C -0.646 176.987 177.584 0.081 0.000 1.104 39 A CA -0.675 51.397 52.037 0.059 0.000 0.768 39 A CB 1.212 20.249 19.000 0.062 0.000 1.213 39 A HN 0.633 nan 8.150 nan 0.000 0.456 40 V N 2.325 122.300 119.914 0.102 0.000 2.531 40 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 40 V C -1.040 175.158 176.094 0.173 0.000 1.034 40 V CA -0.381 61.992 62.300 0.121 0.000 0.865 40 V CB 1.439 33.331 31.823 0.115 0.000 0.995 40 V HN 0.807 nan 8.190 nan 0.000 0.424 41 F N 5.841 125.803 119.950 0.021 0.000 2.390 41 F HA 0.651 5.178 4.527 -0.001 0.000 0.361 41 F C -0.170 175.641 175.800 0.018 0.000 1.124 41 F CA -0.465 57.547 58.000 0.021 0.000 1.149 41 F CB 1.067 40.081 39.000 0.023 0.000 1.160 41 F HN 0.271 nan 8.300 nan 0.000 0.501 42 V N 5.172 124.818 119.914 -0.447 0.000 2.448 42 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 42 V C -0.126 175.663 176.094 -0.508 0.000 1.025 42 V CA -0.598 61.495 62.300 -0.346 0.000 0.859 42 V CB 1.717 33.445 31.823 -0.158 0.000 0.988 42 V HN 0.831 nan 8.190 nan 0.000 0.431 43 T N 1.619 115.956 114.554 -0.361 0.000 2.908 43 T HA 0.853 5.202 4.350 -0.000 0.000 0.290 43 T C -0.849 173.761 174.700 -0.149 0.000 1.034 43 T CA -0.799 61.135 62.100 -0.276 0.000 1.010 43 T CB 1.998 70.742 68.868 -0.207 0.000 1.068 43 T HN 0.328 nan 8.240 nan 0.000 0.481 44 V N 1.772 121.619 119.914 -0.113 0.000 2.638 44 V HA 0.618 4.738 4.120 -0.000 0.000 0.306 44 V C -0.738 175.339 176.094 -0.028 0.000 1.052 44 V CA -0.817 61.438 62.300 -0.076 0.000 0.885 44 V CB 1.969 33.729 31.823 -0.105 0.000 0.999 44 V HN 0.920 nan 8.190 nan 0.000 0.424 45 V N 3.301 123.213 119.914 -0.004 0.000 2.407 45 V HA 0.772 4.892 4.120 -0.000 0.000 0.291 45 V C 0.514 176.649 176.094 0.069 0.000 1.018 45 V CA -0.328 61.998 62.300 0.044 0.000 0.842 45 V CB 1.809 33.656 31.823 0.040 0.000 0.996 45 V HN 0.981 nan 8.190 nan 0.000 0.426 46 G N 3.269 112.158 108.800 0.148 0.000 2.417 46 G HA2 0.549 4.509 3.960 -0.000 0.000 0.320 46 G HA3 0.549 4.509 3.960 -0.000 0.000 0.320 46 G C -0.667 174.491 174.900 0.429 0.000 1.204 46 G CA -0.461 44.780 45.100 0.235 0.000 0.923 46 G HN 0.619 nan 8.290 nan 0.000 0.466 47 Q N 1.296 121.273 119.800 0.295 0.000 2.332 47 Q HA 0.108 4.448 4.340 -0.000 0.000 0.263 47 Q C 0.982 177.126 176.000 0.240 0.000 0.979 47 Q CA -0.528 55.401 55.803 0.209 0.000 0.885 47 Q CB 1.466 30.252 28.738 0.081 0.000 1.218 47 Q HN 0.402 nan 8.270 nan 0.000 0.405 48 K N 1.955 122.389 120.400 0.057 0.000 2.032 48 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 48 K C 0.279 176.834 176.600 -0.075 0.000 1.048 48 K CA 1.535 57.727 56.287 -0.157 0.000 0.927 48 K CB -0.049 32.347 32.500 -0.173 0.000 0.712 48 K HN 0.561 nan 8.250 nan 0.000 0.441 49 K N -0.222 120.170 120.400 -0.014 0.000 2.316 49 K HA 0.610 4.929 4.320 -0.000 0.000 0.251 49 K C -0.918 175.682 176.600 -0.001 0.000 0.934 49 K CA -0.697 55.592 56.287 0.003 0.000 0.802 49 K CB 2.319 34.812 32.500 -0.012 0.000 1.171 49 K HN -0.125 nan 8.250 nan 0.000 0.426 50 A N 1.944 124.761 122.820 -0.006 0.000 2.371 50 A HA 0.212 4.532 4.320 -0.000 0.000 0.257 50 A C -0.248 177.307 177.584 -0.049 0.000 1.089 50 A CA -0.671 51.334 52.037 -0.053 0.000 0.794 50 A CB 0.252 19.213 19.000 -0.064 0.000 1.029 50 A HN 0.592 nan 8.150 nan 0.000 0.488 51 K N 3.289 123.643 120.400 -0.076 0.000 2.472 51 K HA 0.114 4.434 4.320 -0.000 0.000 0.280 51 K C -1.725 174.845 176.600 -0.049 0.000 1.028 51 K CA -0.319 55.930 56.287 -0.064 0.000 1.045 51 K CB 0.170 32.618 32.500 -0.086 0.000 0.902 51 K HN 0.683 nan 8.250 nan 0.000 0.478 52 P HA -0.226 nan 4.420 nan 0.000 0.222 52 P C 0.809 178.100 177.300 -0.014 0.000 1.155 52 P CA 1.824 64.913 63.100 -0.017 0.000 0.890 52 P CB 0.144 31.837 31.700 -0.012 0.000 0.790 53 G N -1.737 107.052 108.800 -0.019 0.000 4.331 53 G HA2 0.187 4.147 3.960 -0.000 0.000 0.299 53 G HA3 0.187 4.147 3.960 -0.000 0.000 0.299 53 G C -0.240 174.649 174.900 -0.018 0.000 1.158 53 G CA -0.061 45.033 45.100 -0.009 0.000 0.916 53 G HN 0.154 nan 8.290 nan 0.000 0.553 54 Q N 1.441 121.209 119.800 -0.053 0.000 2.288 54 Q HA 0.390 4.730 4.340 -0.000 0.000 0.254 54 Q C 0.128 176.093 176.000 -0.059 0.000 0.932 54 Q CA -0.096 55.641 55.803 -0.111 0.000 0.902 54 Q CB 1.280 29.895 28.738 -0.206 0.000 1.203 54 Q HN 0.312 nan 8.270 nan 0.000 0.415 55 D N 2.686 123.078 120.400 -0.015 0.000 2.620 55 D HA 0.148 4.788 4.640 -0.000 0.000 0.260 55 D C -0.815 175.586 176.300 0.168 0.000 1.367 55 D CA -0.300 53.739 54.000 0.065 0.000 0.805 55 D CB -0.459 40.390 40.800 0.082 0.000 1.096 55 D HN 0.307 nan 8.370 nan 0.000 0.488 56 F N -1.410 118.549 119.950 0.014 0.000 2.601 56 F HA 0.641 5.168 4.527 -0.000 0.000 0.309 56 F C -1.449 174.388 175.800 0.063 0.000 1.089 56 F CA -2.100 55.917 58.000 0.029 0.000 0.940 56 F CB 1.104 40.100 39.000 -0.007 0.000 1.273 56 F HN -0.220 nan 8.300 nan 0.000 0.450 57 F N 5.609 125.570 119.950 0.019 0.000 2.466 57 F HA 0.529 5.056 4.527 -0.000 0.000 0.363 57 F C -2.468 173.296 175.800 -0.060 0.000 1.109 57 F CA -3.470 54.462 58.000 -0.113 0.000 1.161 57 F CB 0.484 39.456 39.000 -0.047 0.000 1.117 57 F HN 0.258 nan 8.300 nan 0.000 0.539 58 P HA 0.228 nan 4.420 nan 0.000 0.262 58 P C -1.169 175.681 177.300 -0.751 0.000 1.620 58 P CA -0.271 62.546 63.100 -0.472 0.000 1.089 58 P CB 0.993 32.459 31.700 -0.390 0.000 1.601 59 L N 3.737 124.455 121.223 -0.841 0.000 2.305 59 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 59 L C -0.564 176.113 176.870 -0.322 0.000 1.013 59 L CA 0.161 54.560 54.840 -0.735 0.000 0.819 59 L CB 1.596 43.107 42.059 -0.913 0.000 1.227 59 L HN 0.137 nan 8.230 nan 0.000 0.417 60 T N 4.315 118.737 114.554 -0.219 0.000 2.824 60 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 60 T C -0.799 173.857 174.700 -0.073 0.000 0.993 60 T CA -0.488 61.542 62.100 -0.116 0.000 0.967 60 T CB 1.676 70.491 68.868 -0.089 0.000 0.960 60 T HN 0.315 nan 8.240 nan 0.000 0.441 61 V N 4.371 124.262 119.914 -0.038 0.000 2.409 61 V HA 0.434 4.553 4.120 -0.000 0.000 0.291 61 V C -0.408 175.697 176.094 0.018 0.000 1.020 61 V CA -0.971 61.326 62.300 -0.004 0.000 0.848 61 V CB 1.376 33.206 31.823 0.012 0.000 0.990 61 V HN 0.805 nan 8.190 nan 0.000 0.430 62 N N 4.020 122.738 118.700 0.029 0.000 2.476 62 N HA 0.311 5.051 4.740 -0.000 0.000 0.257 62 N C -1.320 174.244 175.510 0.089 0.000 0.970 62 N CA -0.337 52.740 53.050 0.044 0.000 0.938 62 N CB 2.192 40.685 38.487 0.011 0.000 1.144 62 N HN 0.740 nan 8.380 nan 0.000 0.500 63 Y N 2.751 123.041 120.300 -0.017 0.000 2.331 63 Y HA 0.233 4.782 4.550 -0.001 0.000 0.338 63 Y C -0.597 175.296 175.900 -0.012 0.000 0.992 63 Y CA -0.594 57.498 58.100 -0.013 0.000 1.121 63 Y CB 0.939 39.392 38.460 -0.012 0.000 1.184 63 Y HN 0.406 nan 8.280 nan 0.000 0.469 64 Q N 4.169 123.614 119.800 -0.591 0.000 2.289 64 Q HA 0.480 4.820 4.340 -0.000 0.000 0.270 64 Q C -1.737 173.930 176.000 -0.556 0.000 1.038 64 Q CA -1.026 54.512 55.803 -0.441 0.000 0.812 64 Q CB 2.575 31.193 28.738 -0.200 0.000 1.300 64 Q HN 0.673 nan 8.270 nan 0.000 0.427 65 E N 2.246 122.203 120.200 -0.404 0.000 2.133 65 E HA 0.354 4.704 4.350 -0.000 0.000 0.274 65 E C -0.754 175.686 176.600 -0.267 0.000 0.930 65 E CA -0.935 55.276 56.400 -0.315 0.000 0.770 65 E CB 1.351 30.938 29.700 -0.188 0.000 1.104 65 E HN 0.251 nan 8.360 nan 0.000 0.403 66 R N 1.538 121.818 120.500 -0.367 0.000 2.297 66 R HA 0.110 4.449 4.340 -0.000 0.000 0.308 66 R C 1.105 177.112 176.300 -0.489 0.000 1.029 66 R CA -0.117 55.656 56.100 -0.546 0.000 0.929 66 R CB 0.952 30.582 30.300 -1.116 0.000 1.046 66 R HN 0.691 nan 8.270 nan 0.000 0.461 67 T N -1.118 113.251 114.554 -0.308 0.000 3.035 67 T HA -0.136 4.213 4.350 -0.000 0.000 0.268 67 T C 1.675 176.325 174.700 -0.084 0.000 1.109 67 T CA 0.930 62.942 62.100 -0.146 0.000 1.119 67 T CB -0.377 68.459 68.868 -0.054 0.000 0.900 67 T HN 0.742 nan 8.240 nan 0.000 0.503 68 Y N 0.713 121.007 120.300 -0.010 0.000 2.574 68 Y HA 0.495 5.045 4.550 -0.000 0.000 0.294 68 Y C 2.477 178.371 175.900 -0.011 0.000 1.142 68 Y CA -0.191 57.903 58.100 -0.011 0.000 1.314 68 Y CB -0.713 37.738 38.460 -0.016 0.000 0.991 68 Y HN 0.245 nan 8.280 nan 0.000 0.555 69 A N 1.384 124.192 122.820 -0.019 0.000 1.969 69 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 69 A C 2.189 179.795 177.584 0.037 0.000 1.169 69 A CA 1.346 53.401 52.037 0.029 0.000 0.635 69 A CB -0.901 18.048 19.000 -0.084 0.000 0.810 69 A HN 0.630 nan 8.150 nan 0.000 0.445 70 A N -1.807 121.022 122.820 0.016 0.000 2.387 70 A HA 0.463 4.783 4.320 -0.000 0.000 0.234 70 A C 1.482 179.086 177.584 0.034 0.000 1.253 70 A CA 0.903 52.952 52.037 0.020 0.000 0.894 70 A CB -0.810 18.193 19.000 0.006 0.000 0.963 70 A HN 1.829 nan 8.150 nan 0.000 0.508 71 G N -0.082 108.752 108.800 0.057 0.000 2.225 71 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 71 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 71 G C 0.080 175.007 174.900 0.046 0.000 1.060 71 G CA 0.436 45.570 45.100 0.057 0.000 0.833 71 G HN 0.625 nan 8.290 nan 0.000 0.498 72 R N -1.273 119.256 120.500 0.048 0.000 2.854 72 R HA 0.717 5.057 4.340 -0.000 0.000 0.271 72 R C -0.104 176.221 176.300 0.042 0.000 0.994 72 R CA -1.043 55.078 56.100 0.034 0.000 0.945 72 R CB 1.581 31.892 30.300 0.019 0.000 1.194 72 R HN 0.195 nan 8.270 nan 0.000 0.476 73 I N 2.612 123.201 120.570 0.032 0.000 2.392 73 I HA 0.292 4.462 4.170 -0.000 0.000 0.295 73 I C -1.988 174.142 176.117 0.022 0.000 0.985 73 I CA -2.325 58.994 61.300 0.032 0.000 1.221 73 I CB 1.682 39.696 38.000 0.023 0.000 1.366 73 I HN 0.233 nan 8.210 nan 0.000 0.467 74 P HA 0.029 nan 4.420 nan 0.000 0.266 74 P C 0.792 178.106 177.300 0.023 0.000 1.195 74 P CA 0.032 63.145 63.100 0.022 0.000 0.768 74 P CB 0.623 32.342 31.700 0.032 0.000 0.838 75 G N 1.244 110.059 108.800 0.025 0.000 2.813 75 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.209 75 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.209 75 G C 0.473 175.394 174.900 0.035 0.000 1.150 75 G CA 0.055 45.170 45.100 0.025 0.000 0.785 75 G HN 0.622 nan 8.290 nan 0.000 0.535 76 S N -0.634 115.098 115.700 0.053 0.000 2.600 76 S HA 0.258 4.727 4.470 -0.000 0.000 0.265 76 S C 1.037 175.671 174.600 0.057 0.000 1.325 76 S CA -0.586 57.664 58.200 0.084 0.000 1.002 76 S CB 0.817 64.097 63.200 0.133 0.000 0.921 76 S HN 0.183 nan 8.310 nan 0.000 0.554 77 F N 0.844 120.711 119.950 -0.139 0.000 2.250 77 F HA -0.017 4.510 4.527 0.000 0.000 0.301 77 F C 1.024 176.576 175.800 -0.412 0.000 1.077 77 F CA 1.138 58.937 58.000 -0.334 0.000 1.348 77 F CB -0.315 38.367 39.000 -0.532 0.000 1.040 77 F HN 0.564 nan 8.300 nan 0.000 0.509 78 F N 0.364 120.296 119.950 -0.029 0.000 2.727 78 F HA 0.283 4.810 4.527 -0.000 0.000 0.302 78 F C 0.796 176.543 175.800 -0.087 0.000 1.097 78 F CA -0.216 57.718 58.000 -0.110 0.000 1.330 78 F CB -0.200 38.812 39.000 0.019 0.000 1.084 78 F HN -0.253 nan 8.300 nan 0.000 0.578 79 R N 0.871 121.403 120.500 0.053 0.000 3.627 79 R HA -0.234 4.105 4.340 -0.000 0.000 0.281 79 R C -0.022 176.315 176.300 0.062 0.000 1.140 79 R CA 0.462 56.581 56.100 0.031 0.000 0.761 79 R CB -2.123 28.168 30.300 -0.015 0.000 1.181 79 R HN 0.432 nan 8.270 nan 0.000 0.472 80 R N 0.516 121.074 120.500 0.097 0.000 2.698 80 R HA 0.257 4.597 4.340 -0.000 0.000 0.275 80 R C -0.858 175.480 176.300 0.064 0.000 1.001 80 R CA -0.774 55.370 56.100 0.073 0.000 0.896 80 R CB 1.509 31.850 30.300 0.069 0.000 1.218 80 R HN -0.049 nan 8.270 nan 0.000 0.462 81 E N 0.580 120.798 120.200 0.030 0.000 2.376 81 E HA 0.202 4.552 4.350 -0.000 0.000 0.266 81 E C 0.228 176.837 176.600 0.016 0.000 1.009 81 E CA 0.472 56.878 56.400 0.010 0.000 0.902 81 E CB 1.260 30.943 29.700 -0.029 0.000 0.972 81 E HN 0.700 nan 8.360 nan 0.000 0.439 82 G N 2.636 111.450 108.800 0.024 0.000 3.194 82 G HA2 0.241 4.201 3.960 -0.000 0.000 0.160 82 G HA3 0.241 4.201 3.960 -0.000 0.000 0.160 82 G C -0.658 174.247 174.900 0.009 0.000 1.267 82 G CA -0.879 44.233 45.100 0.021 0.000 0.962 82 G HN 0.588 nan 8.290 nan 0.000 0.612 83 R N 1.111 121.620 120.500 0.014 0.000 2.623 83 R HA 0.272 4.612 4.340 -0.000 0.000 0.271 83 R C -2.302 174.006 176.300 0.014 0.000 1.043 83 R CA -0.781 55.325 56.100 0.010 0.000 1.083 83 R CB -0.335 29.972 30.300 0.012 0.000 0.974 83 R HN 0.176 nan 8.270 nan 0.000 0.436 84 P HA -0.067 nan 4.420 nan 0.000 0.262 84 P C -0.232 177.087 177.300 0.032 0.000 1.182 84 P CA 0.031 63.146 63.100 0.025 0.000 0.761 84 P CB 0.802 32.522 31.700 0.035 0.000 0.795 85 S N 1.690 117.414 115.700 0.040 0.000 2.617 85 S HA 0.074 4.543 4.470 -0.000 0.000 0.259 85 S C 1.242 175.870 174.600 0.046 0.000 1.301 85 S CA -0.502 57.723 58.200 0.042 0.000 0.984 85 S CB 0.772 64.000 63.200 0.045 0.000 0.954 85 S HN 0.485 nan 8.310 nan 0.000 0.572 86 E N 0.968 121.193 120.200 0.042 0.000 2.058 86 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 86 E C 2.184 178.806 176.600 0.037 0.000 0.997 86 E CA 1.343 57.765 56.400 0.038 0.000 0.801 86 E CB -0.929 28.798 29.700 0.045 0.000 0.746 86 E HN 0.893 nan 8.360 nan 0.000 0.450 87 G N 1.011 109.840 108.800 0.048 0.000 2.442 87 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 87 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 87 G C 1.330 176.276 174.900 0.077 0.000 1.141 87 G CA 0.795 45.925 45.100 0.050 0.000 0.763 87 G HN 0.271 nan 8.290 nan 0.000 0.554 88 E N -0.323 119.960 120.200 0.138 0.000 2.152 88 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 88 E C 2.747 179.453 176.600 0.176 0.000 0.983 88 E CA 1.197 57.763 56.400 0.277 0.000 0.818 88 E CB -0.043 29.788 29.700 0.220 0.000 0.758 88 E HN 0.335 nan 8.360 nan 0.000 0.467 89 T N 1.322 115.923 114.554 0.079 0.000 2.777 89 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 89 T C 1.917 176.609 174.700 -0.012 0.000 1.040 89 T CA 0.708 62.827 62.100 0.031 0.000 1.141 89 T CB -0.108 68.767 68.868 0.013 0.000 0.868 89 T HN 0.076 nan 8.240 nan 0.000 0.444 90 L N 0.200 121.407 121.223 -0.027 0.000 2.093 90 L HA 0.012 4.351 4.340 -0.000 0.000 0.208 90 L C 2.352 179.156 176.870 -0.110 0.000 1.085 90 L CA 1.156 55.959 54.840 -0.060 0.000 0.755 90 L CB -0.488 41.541 42.059 -0.050 0.000 0.904 90 L HN 0.262 nan 8.230 nan 0.000 0.435 91 I N -0.429 120.030 120.570 -0.185 0.000 2.439 91 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 91 I C 2.724 178.646 176.117 -0.324 0.000 1.139 91 I CA 0.830 61.904 61.300 -0.377 0.000 1.438 91 I CB -0.386 37.116 38.000 -0.830 0.000 1.085 91 I HN 0.158 nan 8.210 nan 0.000 0.427 92 A N 0.969 123.689 122.820 -0.167 0.000 1.972 92 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 92 A C 2.384 179.943 177.584 -0.042 0.000 1.169 92 A CA 1.436 53.453 52.037 -0.035 0.000 0.635 92 A CB -0.482 18.548 19.000 0.050 0.000 0.810 92 A HN 0.320 nan 8.150 nan 0.000 0.446 93 R N -0.776 119.690 120.500 -0.056 0.000 2.115 93 R HA 0.106 4.445 4.340 -0.000 0.000 0.226 93 R C 1.904 178.178 176.300 -0.043 0.000 1.100 93 R CA 0.954 57.028 56.100 -0.045 0.000 0.980 93 R CB -0.373 29.896 30.300 -0.053 0.000 0.875 93 R HN 0.486 nan 8.270 nan 0.000 0.445 94 L N 0.349 121.529 121.223 -0.072 0.000 2.191 94 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 94 L C 2.078 178.925 176.870 -0.038 0.000 1.103 94 L CA 1.204 56.006 54.840 -0.063 0.000 0.769 94 L CB -0.193 41.808 42.059 -0.097 0.000 0.908 94 L HN 0.202 nan 8.230 nan 0.000 0.438 95 I N -1.033 119.512 120.570 -0.041 0.000 2.400 95 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 95 I C 2.317 178.456 176.117 0.036 0.000 1.109 95 I CA 0.930 62.227 61.300 -0.004 0.000 1.425 95 I CB -0.295 37.701 38.000 -0.007 0.000 1.094 95 I HN 0.252 nan 8.210 nan 0.000 0.425 96 D N 1.384 121.802 120.400 0.031 0.000 2.117 96 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 96 D C 2.286 178.639 176.300 0.089 0.000 0.982 96 D CA 1.293 55.329 54.000 0.061 0.000 0.828 96 D CB 0.176 40.993 40.800 0.027 0.000 0.967 96 D HN 0.218 nan 8.370 nan 0.000 0.464 97 R N 0.242 120.776 120.500 0.055 0.000 2.081 97 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 97 R C -0.517 175.829 176.300 0.076 0.000 1.131 97 R CA 1.713 57.848 56.100 0.058 0.000 0.960 97 R CB -0.861 29.453 30.300 0.025 0.000 0.856 97 R HN 0.374 nan 8.270 nan 0.000 0.436 98 P HA -0.080 nan 4.420 nan 0.000 0.224 98 P C 1.282 178.652 177.300 0.117 0.000 1.157 98 P CA 1.144 64.286 63.100 0.070 0.000 0.799 98 P CB -0.060 31.672 31.700 0.052 0.000 0.809 99 I N -2.744 117.944 120.570 0.196 0.000 2.716 99 I HA 0.070 4.240 4.170 -0.000 0.000 0.259 99 I C 2.706 179.106 176.117 0.471 0.000 1.172 99 I CA 0.545 62.057 61.300 0.352 0.000 1.478 99 I CB -0.620 37.605 38.000 0.375 0.000 1.104 99 I HN -0.271 nan 8.210 nan 0.000 0.439 100 R N 2.150 122.894 120.500 0.406 0.000 2.080 100 R HA -0.083 4.256 4.340 -0.000 0.000 0.236 100 R C -0.359 176.182 176.300 0.402 0.000 1.137 100 R CA 2.214 58.603 56.100 0.481 0.000 0.943 100 R CB -1.318 29.159 30.300 0.296 0.000 0.846 100 R HN 0.360 nan 8.270 nan 0.000 0.431 101 P HA -0.089 nan 4.420 nan 0.000 0.237 101 P C 0.843 178.153 177.300 0.017 0.000 1.178 101 P CA 1.037 64.204 63.100 0.112 0.000 0.766 101 P CB 0.052 31.789 31.700 0.061 0.000 0.876 102 L N -2.053 119.140 121.223 -0.050 0.000 2.509 102 L HA 0.142 4.482 4.340 -0.000 0.000 0.222 102 L C 0.836 177.442 176.870 -0.441 0.000 1.123 102 L CA -0.068 54.556 54.840 -0.359 0.000 0.856 102 L CB -0.404 41.207 42.059 -0.747 0.000 0.985 102 L HN -0.163 nan 8.230 nan 0.000 0.456 103 F N 1.113 120.968 119.950 -0.159 0.000 2.456 103 F HA 0.238 4.765 4.527 -0.000 0.000 0.358 103 F C -1.642 173.954 175.800 -0.341 0.000 1.095 103 F CA -2.388 55.413 58.000 -0.332 0.000 1.216 103 F CB -0.218 38.459 39.000 -0.540 0.000 1.125 103 F HN -0.223 nan 8.300 nan 0.000 0.549 104 P HA -0.059 nan 4.420 nan 0.000 0.267 104 P C -0.553 176.746 177.300 -0.002 0.000 1.200 104 P CA -0.249 62.787 63.100 -0.106 0.000 0.772 104 P CB 0.431 32.062 31.700 -0.113 0.000 0.855 105 E N 1.564 121.817 120.200 0.088 0.000 2.415 105 E HA 0.196 4.546 4.350 -0.000 0.000 0.260 105 E C 1.061 177.803 176.600 0.237 0.000 1.016 105 E CA 0.867 57.344 56.400 0.129 0.000 0.924 105 E CB -0.708 29.064 29.700 0.120 0.000 0.961 105 E HN 0.738 nan 8.360 nan 0.000 0.459 106 G N 4.223 113.148 108.800 0.208 0.000 2.232 106 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.226 106 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.226 106 G C -0.023 175.091 174.900 0.356 0.000 0.996 106 G CA -0.086 45.187 45.100 0.289 0.000 0.626 106 G HN 0.588 nan 8.290 nan 0.000 0.509 107 F N 2.630 122.576 119.950 -0.007 0.000 2.502 107 F HA 0.453 4.980 4.527 -0.000 0.000 0.371 107 F C 1.277 176.960 175.800 -0.194 0.000 1.083 107 F CA 0.462 58.264 58.000 -0.330 0.000 1.174 107 F CB 1.178 39.618 39.000 -0.932 0.000 1.096 107 F HN 0.430 nan 8.300 nan 0.000 0.545 108 V N 1.645 121.259 119.914 -0.501 0.000 3.166 108 V HA 0.351 4.470 4.120 -0.000 0.000 0.332 108 V C -0.087 175.785 176.094 -0.370 0.000 1.434 108 V CA -0.703 61.447 62.300 -0.250 0.000 1.121 108 V CB -0.898 30.860 31.823 -0.108 0.000 1.062 108 V HN 0.625 nan 8.190 nan 0.000 0.489 109 N N 2.489 120.717 118.700 -0.786 0.000 2.518 109 N HA 0.198 4.937 4.740 -0.000 0.000 0.266 109 N C -0.041 175.345 175.510 -0.207 0.000 1.196 109 N CA 0.131 52.919 53.050 -0.436 0.000 0.947 109 N CB 0.639 38.915 38.487 -0.351 0.000 1.098 109 N HN 0.654 nan 8.380 nan 0.000 0.450 110 E N 1.173 121.292 120.200 -0.134 0.000 2.351 110 E HA 0.159 4.508 4.350 -0.000 0.000 0.266 110 E C -1.117 175.441 176.600 -0.070 0.000 1.031 110 E CA -0.218 56.094 56.400 -0.148 0.000 0.911 110 E CB 0.398 30.023 29.700 -0.124 0.000 0.986 110 E HN 0.199 nan 8.360 nan 0.000 0.446 111 V N 5.142 124.960 119.914 -0.160 0.000 2.540 111 V HA 0.281 4.401 4.120 -0.000 0.000 0.302 111 V C -0.428 175.580 176.094 -0.143 0.000 1.035 111 V CA -0.722 61.518 62.300 -0.099 0.000 0.873 111 V CB 1.647 33.422 31.823 -0.080 0.000 0.992 111 V HN 0.713 nan 8.190 nan 0.000 0.428 112 Q N 3.022 122.778 119.800 -0.073 0.000 2.321 112 Q HA 0.704 5.044 4.340 -0.000 0.000 0.270 112 Q C -1.936 174.035 176.000 -0.049 0.000 1.032 112 Q CA -0.475 55.288 55.803 -0.068 0.000 0.784 112 Q CB 2.431 31.139 28.738 -0.050 0.000 1.264 112 Q HN 0.601 nan 8.270 nan 0.000 0.448 113 V N 5.860 125.746 119.914 -0.046 0.000 2.384 113 V HA 0.491 4.611 4.120 -0.000 0.000 0.287 113 V C -0.373 175.705 176.094 -0.027 0.000 1.020 113 V CA -0.526 61.749 62.300 -0.042 0.000 0.850 113 V CB 1.481 33.284 31.823 -0.034 0.000 0.987 113 V HN 0.706 nan 8.190 nan 0.000 0.436 114 I N 4.263 124.810 120.570 -0.038 0.000 2.382 114 I HA 0.712 4.881 4.170 -0.000 0.000 0.286 114 I C 0.233 176.332 176.117 -0.030 0.000 1.002 114 I CA -0.477 60.810 61.300 -0.021 0.000 1.135 114 I CB 1.781 39.772 38.000 -0.014 0.000 1.288 114 I HN 0.656 nan 8.210 nan 0.000 0.448 115 A N 4.462 127.289 122.820 0.011 0.000 2.287 115 A HA 0.779 5.098 4.320 -0.000 0.000 0.317 115 A C -0.310 177.246 177.584 -0.047 0.000 1.220 115 A CA -0.416 51.637 52.037 0.027 0.000 0.835 115 A CB 0.694 19.787 19.000 0.156 0.000 1.180 115 A HN 0.617 nan 8.150 nan 0.000 0.500 116 T N 2.293 116.839 114.554 -0.013 0.000 2.791 116 T HA 0.405 4.755 4.350 -0.000 0.000 0.288 116 T C -0.207 174.472 174.700 -0.033 0.000 0.999 116 T CA -0.377 61.690 62.100 -0.054 0.000 0.952 116 T CB 1.186 70.088 68.868 0.057 0.000 0.938 116 T HN 0.390 nan 8.240 nan 0.000 0.444 117 V N 4.801 124.620 119.914 -0.157 0.000 2.415 117 V HA 0.089 4.208 4.120 -0.000 0.000 0.267 117 V C 1.424 177.464 176.094 -0.089 0.000 1.042 117 V CA -0.003 62.244 62.300 -0.089 0.000 1.000 117 V CB 0.447 32.199 31.823 -0.119 0.000 1.015 117 V HN 0.900 nan 8.190 nan 0.000 0.478 118 V N 1.584 121.511 119.914 0.022 0.000 3.661 118 V HA 0.432 4.552 4.120 -0.000 0.000 0.271 118 V C 0.596 176.773 176.094 0.137 0.000 1.315 118 V CA 0.437 62.809 62.300 0.121 0.000 1.072 118 V CB 0.578 32.512 31.823 0.185 0.000 0.830 118 V HN 0.682 nan 8.190 nan 0.000 0.443 119 S N -0.839 114.900 115.700 0.065 0.000 2.535 119 S HA 0.702 5.172 4.470 -0.000 0.000 0.272 119 S C -1.672 172.946 174.600 0.030 0.000 1.149 119 S CA -0.168 58.067 58.200 0.058 0.000 0.888 119 S CB 2.130 65.365 63.200 0.059 0.000 1.110 119 S HN 0.682 nan 8.310 nan 0.000 0.463 120 V N 4.934 124.862 119.914 0.023 0.000 2.668 120 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 120 V C -1.076 175.025 176.094 0.012 0.000 1.071 120 V CA -0.753 61.555 62.300 0.014 0.000 0.894 120 V CB 1.857 33.686 31.823 0.009 0.000 1.008 120 V HN 0.935 nan 8.190 nan 0.000 0.425 121 N N 8.542 127.244 118.700 0.004 0.000 2.408 121 N HA 0.410 5.149 4.740 -0.000 0.000 0.257 121 N C -1.612 173.900 175.510 0.004 0.000 1.064 121 N CA -1.952 51.100 53.050 0.002 0.000 0.952 121 N CB 2.111 40.592 38.487 -0.010 0.000 1.093 121 N HN 0.438 nan 8.380 nan 0.000 0.490 122 P HA -0.112 nan 4.420 nan 0.000 0.229 122 P C 0.459 177.768 177.300 0.016 0.000 1.150 122 P CA 1.062 64.171 63.100 0.014 0.000 0.765 122 P CB 0.594 32.304 31.700 0.017 0.000 0.783 123 Q N -0.867 118.942 119.800 0.014 0.000 2.396 123 Q HA 0.126 4.466 4.340 -0.000 0.000 0.209 123 Q C 0.463 176.466 176.000 0.006 0.000 0.906 123 Q CA 0.442 56.259 55.803 0.022 0.000 0.927 123 Q CB 0.593 29.355 28.738 0.040 0.000 1.069 123 Q HN 0.174 nan 8.270 nan 0.000 0.523 124 V N 2.744 122.641 119.914 -0.029 0.000 2.328 124 V HA 0.213 4.333 4.120 -0.000 0.000 0.278 124 V C 0.149 176.219 176.094 -0.041 0.000 1.021 124 V CA -1.023 61.227 62.300 -0.084 0.000 0.838 124 V CB 1.273 32.978 31.823 -0.196 0.000 0.999 124 V HN 0.142 nan 8.190 nan 0.000 0.447 125 N N 7.639 126.327 118.700 -0.021 0.000 2.447 125 N HA 0.115 4.855 4.740 -0.000 0.000 0.263 125 N C -1.227 174.292 175.510 0.014 0.000 1.226 125 N CA -1.305 51.748 53.050 0.005 0.000 0.906 125 N CB 1.878 40.371 38.487 0.009 0.000 1.060 125 N HN 0.345 nan 8.380 nan 0.000 0.468 126 P HA -0.087 nan 4.420 nan 0.000 0.226 126 P C 0.514 177.863 177.300 0.081 0.000 1.153 126 P CA 0.698 63.850 63.100 0.087 0.000 0.777 126 P CB 0.277 32.070 31.700 0.156 0.000 0.794 127 D N 0.492 120.899 120.400 0.011 0.000 2.117 127 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 127 D C 1.885 178.168 176.300 -0.029 0.000 0.987 127 D CA 0.994 54.946 54.000 -0.081 0.000 0.829 127 D CB -1.091 39.632 40.800 -0.129 0.000 0.961 127 D HN 0.080 nan 8.370 nan 0.000 0.460 128 I N 0.865 121.443 120.570 0.013 0.000 2.252 128 I HA -0.163 4.006 4.170 -0.000 0.000 0.245 128 I C 2.611 178.769 176.117 0.068 0.000 1.102 128 I CA 0.512 61.843 61.300 0.052 0.000 1.385 128 I CB -0.899 37.152 38.000 0.085 0.000 1.064 128 I HN -0.002 nan 8.210 nan 0.000 0.414 129 V N 1.559 121.510 119.914 0.062 0.000 2.343 129 V HA -0.242 3.877 4.120 -0.000 0.000 0.247 129 V C 2.854 178.989 176.094 0.068 0.000 1.051 129 V CA 1.812 64.151 62.300 0.065 0.000 1.036 129 V CB -1.290 30.565 31.823 0.053 0.000 0.654 129 V HN 0.449 nan 8.190 nan 0.000 0.451 130 A N -0.656 122.213 122.820 0.081 0.000 1.969 130 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 130 A C 2.239 179.852 177.584 0.048 0.000 1.169 130 A CA 2.041 54.136 52.037 0.096 0.000 0.635 130 A CB -0.464 18.644 19.000 0.179 0.000 0.810 130 A HN 0.511 nan 8.150 nan 0.000 0.445 131 M N -0.838 118.779 119.600 0.028 0.000 2.132 131 M HA -0.028 4.451 4.480 -0.000 0.000 0.263 131 M C 1.993 178.310 176.300 0.028 0.000 1.065 131 M CA 1.372 56.685 55.300 0.022 0.000 1.122 131 M CB -0.423 32.189 32.600 0.020 0.000 1.365 131 M HN 0.370 nan 8.290 nan 0.000 0.411 132 I N -0.136 120.458 120.570 0.040 0.000 2.286 132 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 132 I C 2.557 178.687 176.117 0.023 0.000 1.115 132 I CA 1.332 62.654 61.300 0.037 0.000 1.392 132 I CB -0.838 37.200 38.000 0.063 0.000 1.065 132 I HN 0.364 nan 8.210 nan 0.000 0.418 133 G N 0.427 109.239 108.800 0.020 0.000 2.402 133 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.216 133 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.216 133 G C 1.863 176.736 174.900 -0.044 0.000 1.162 133 G CA 0.768 45.864 45.100 -0.006 0.000 0.777 133 G HN 0.480 nan 8.290 nan 0.000 0.539 134 A N 0.451 123.249 122.820 -0.036 0.000 1.930 134 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 134 A C 2.617 180.135 177.584 -0.111 0.000 1.175 134 A CA 2.240 54.235 52.037 -0.070 0.000 0.627 134 A CB -0.715 18.264 19.000 -0.035 0.000 0.815 134 A HN 0.407 nan 8.150 nan 0.000 0.443 135 S N -0.493 115.176 115.700 -0.052 0.000 2.368 135 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 135 S C 2.193 176.761 174.600 -0.052 0.000 1.029 135 S CA 1.485 59.671 58.200 -0.024 0.000 0.988 135 S CB -0.444 62.776 63.200 0.034 0.000 0.838 135 S HN 0.779 nan 8.310 nan 0.000 0.462 136 A N 1.254 124.046 122.820 -0.046 0.000 1.902 136 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 136 A C 2.431 179.968 177.584 -0.080 0.000 1.181 136 A CA 1.827 53.837 52.037 -0.045 0.000 0.623 136 A CB -1.310 17.680 19.000 -0.017 0.000 0.818 136 A HN 0.716 nan 8.150 nan 0.000 0.443 137 A N -0.430 122.323 122.820 -0.112 0.000 1.898 137 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 137 A C 2.165 179.635 177.584 -0.189 0.000 1.181 137 A CA 1.387 53.341 52.037 -0.138 0.000 0.620 137 A CB -0.574 18.332 19.000 -0.155 0.000 0.819 137 A HN 0.448 nan 8.150 nan 0.000 0.442 138 L N -0.329 120.717 121.223 -0.296 0.000 2.083 138 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 138 L C 2.781 179.428 176.870 -0.372 0.000 1.083 138 L CA 1.438 55.975 54.840 -0.505 0.000 0.752 138 L CB -0.261 41.137 42.059 -1.101 0.000 0.899 138 L HN 0.324 nan 8.230 nan 0.000 0.433 139 S N -0.262 115.323 115.700 -0.191 0.000 2.387 139 S HA -0.056 4.414 4.470 -0.000 0.000 0.226 139 S C 1.887 176.449 174.600 -0.063 0.000 1.026 139 S CA 0.930 59.104 58.200 -0.043 0.000 0.972 139 S CB -0.128 63.077 63.200 0.009 0.000 0.814 139 S HN 0.297 nan 8.310 nan 0.000 0.477 140 L N 1.766 122.944 121.223 -0.075 0.000 2.313 140 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 140 L C 2.628 179.469 176.870 -0.048 0.000 1.119 140 L CA 0.943 55.755 54.840 -0.048 0.000 0.809 140 L CB -0.535 41.502 42.059 -0.038 0.000 0.933 140 L HN 0.412 nan 8.230 nan 0.000 0.449 141 S N -0.452 115.190 115.700 -0.096 0.000 2.368 141 S HA -0.063 4.406 4.470 -0.000 0.000 0.224 141 S C 1.771 176.324 174.600 -0.078 0.000 1.029 141 S CA 1.024 59.169 58.200 -0.091 0.000 0.988 141 S CB -0.210 62.887 63.200 -0.172 0.000 0.838 141 S HN 0.505 nan 8.310 nan 0.000 0.462 142 G N 0.895 109.603 108.800 -0.153 0.000 2.194 142 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.236 142 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.236 142 G C 0.083 174.667 174.900 -0.527 0.000 0.987 142 G CA -0.023 44.996 45.100 -0.135 0.000 0.635 142 G HN 0.602 nan 8.290 nan 0.000 0.520 143 I N 2.752 122.808 120.570 -0.856 0.000 2.683 143 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 143 I C -1.606 174.103 176.117 -0.681 0.000 1.175 143 I CA -1.504 59.081 61.300 -1.193 0.000 1.429 143 I CB 0.543 38.025 38.000 -0.863 0.000 1.371 143 I HN -0.103 nan 8.210 nan 0.000 0.569 144 P HA -0.037 nan 4.420 nan 0.000 0.255 144 P C -0.908 176.073 177.300 -0.531 0.000 1.173 144 P CA 0.635 63.391 63.100 -0.574 0.000 0.780 144 P CB -0.096 31.096 31.700 -0.846 0.000 0.758 145 F N 3.540 123.148 119.950 -0.570 0.000 2.722 145 F HA 0.267 4.794 4.527 -0.000 0.000 0.336 145 F C -0.316 175.226 175.800 -0.430 0.000 1.216 145 F CA -0.707 56.892 58.000 -0.668 0.000 1.065 145 F CB 1.184 39.747 39.000 -0.728 0.000 1.325 145 F HN 0.044 nan 8.300 nan 0.000 0.524 146 N N 4.153 122.316 118.700 -0.896 0.000 2.623 146 N HA 0.182 4.922 4.740 -0.000 0.000 0.263 146 N C 0.542 175.604 175.510 -0.746 0.000 1.218 146 N CA 0.365 53.035 53.050 -0.634 0.000 0.949 146 N CB 0.623 38.855 38.487 -0.424 0.000 1.270 146 N HN 0.794 nan 8.380 nan 0.000 0.507 147 G N 0.857 109.067 108.800 -0.982 0.000 2.630 147 G HA2 0.431 4.391 3.960 -0.000 0.000 0.223 147 G HA3 0.431 4.391 3.960 -0.000 0.000 0.223 147 G C -2.338 172.425 174.900 -0.230 0.000 1.434 147 G CA -0.581 44.167 45.100 -0.586 0.000 1.057 147 G HN 0.094 nan 8.290 nan 0.000 0.570 148 P HA 0.396 nan 4.420 nan 0.000 0.276 148 P C -0.372 176.900 177.300 -0.047 0.000 1.252 148 P CA -0.413 62.687 63.100 -0.000 0.000 0.802 148 P CB 1.013 32.707 31.700 -0.010 0.000 1.035 149 I N -2.255 118.325 120.570 0.017 0.000 2.707 149 I HA 0.827 4.997 4.170 -0.000 0.000 0.309 149 I C 0.360 176.468 176.117 -0.014 0.000 1.001 149 I CA -0.827 60.471 61.300 -0.003 0.000 1.129 149 I CB 1.773 39.793 38.000 0.032 0.000 1.308 149 I HN 0.293 nan 8.210 nan 0.000 0.466 150 G N 2.264 111.050 108.800 -0.023 0.000 2.552 150 G HA2 0.817 4.777 3.960 -0.000 0.000 0.318 150 G HA3 0.817 4.777 3.960 -0.000 0.000 0.318 150 G C -1.358 173.554 174.900 0.020 0.000 1.240 150 G CA -0.671 44.408 45.100 -0.035 0.000 1.002 150 G HN 1.096 nan 8.290 nan 0.000 0.493 151 A N -1.412 121.438 122.820 0.050 0.000 2.488 151 A HA 0.858 5.178 4.320 -0.000 0.000 0.295 151 A C -0.595 177.102 177.584 0.189 0.000 1.045 151 A CA 0.121 52.215 52.037 0.096 0.000 0.703 151 A CB 1.351 20.398 19.000 0.079 0.000 1.271 151 A HN 2.191 nan 8.150 nan 0.000 0.400 152 A N 1.783 124.696 122.820 0.156 0.000 2.488 152 A HA 0.815 5.135 4.320 -0.000 0.000 0.298 152 A C -0.489 177.159 177.584 0.107 0.000 1.044 152 A CA -0.578 51.560 52.037 0.170 0.000 0.693 152 A CB 1.217 20.312 19.000 0.159 0.000 1.272 152 A HN 1.074 nan 8.150 nan 0.000 0.402 153 R N 1.731 122.286 120.500 0.092 0.000 2.312 153 R HA 0.638 4.978 4.340 -0.000 0.000 0.311 153 R C -1.523 174.850 176.300 0.122 0.000 1.004 153 R CA -0.237 55.913 56.100 0.084 0.000 0.902 153 R CB 1.097 31.435 30.300 0.064 0.000 1.073 153 R HN 0.473 nan 8.270 nan 0.000 0.457 154 V N 4.171 124.167 119.914 0.136 0.000 2.409 154 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 154 V C 0.609 176.801 176.094 0.164 0.000 1.020 154 V CA -0.602 61.817 62.300 0.197 0.000 0.848 154 V CB 1.480 33.430 31.823 0.212 0.000 0.990 154 V HN 0.992 nan 8.190 nan 0.000 0.430 155 G N 2.329 111.231 108.800 0.171 0.000 2.521 155 G HA2 0.563 4.523 3.960 -0.000 0.000 0.323 155 G HA3 0.563 4.523 3.960 -0.000 0.000 0.323 155 G C -1.783 173.260 174.900 0.238 0.000 1.211 155 G CA -0.448 44.747 45.100 0.159 0.000 0.979 155 G HN 0.558 nan 8.290 nan 0.000 0.490 156 Y N 0.374 120.683 120.300 0.015 0.000 2.475 156 Y HA 0.526 5.076 4.550 -0.000 0.000 0.343 156 Y C -0.715 175.145 175.900 -0.068 0.000 1.068 156 Y CA -0.987 57.084 58.100 -0.048 0.000 1.307 156 Y CB 0.625 39.065 38.460 -0.033 0.000 1.097 156 Y HN 0.324 nan 8.280 nan 0.000 0.530 157 I N 4.668 125.081 120.570 -0.262 0.000 2.433 157 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 157 I C -0.100 175.821 176.117 -0.328 0.000 1.001 157 I CA -0.915 60.250 61.300 -0.225 0.000 1.119 157 I CB 1.536 39.468 38.000 -0.112 0.000 1.289 157 I HN 0.526 nan 8.210 nan 0.000 0.438 158 N N 4.664 123.194 118.700 -0.282 0.000 2.735 158 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 158 N C -0.490 174.785 175.510 -0.391 0.000 1.083 158 N CA 1.263 54.156 53.050 -0.263 0.000 0.703 158 N CB -0.982 37.398 38.487 -0.180 0.000 1.005 158 N HN 0.850 nan 8.380 nan 0.000 0.550 159 D N -2.031 117.963 120.400 -0.677 0.000 2.945 159 D HA -0.181 4.459 4.640 -0.000 0.000 0.225 159 D C -0.320 175.426 176.300 -0.924 0.000 1.158 159 D CA 1.116 54.547 54.000 -0.947 0.000 0.805 159 D CB -0.582 40.002 40.800 -0.361 0.000 1.098 159 D HN 0.485 nan 8.370 nan 0.000 0.426 160 Q N -0.568 118.702 119.800 -0.883 0.000 2.377 160 Q HA 0.399 4.738 4.340 -0.000 0.000 0.271 160 Q C -0.245 175.440 176.000 -0.526 0.000 1.077 160 Q CA -0.622 54.832 55.803 -0.582 0.000 0.820 160 Q CB 1.195 29.741 28.738 -0.320 0.000 1.347 160 Q HN 0.199 nan 8.270 nan 0.000 0.444 161 Y N 0.055 120.181 120.300 -0.290 0.000 2.377 161 Y HA 0.295 4.845 4.550 -0.000 0.000 0.330 161 Y C 0.430 176.042 175.900 -0.480 0.000 1.108 161 Y CA -0.476 57.334 58.100 -0.482 0.000 1.308 161 Y CB 0.879 38.647 38.460 -1.155 0.000 1.216 161 Y HN 0.152 nan 8.280 nan 0.000 0.518 162 V N 5.498 125.385 119.914 -0.044 0.000 2.487 162 V HA 0.200 4.319 4.120 -0.000 0.000 0.298 162 V C -0.585 175.645 176.094 0.227 0.000 1.028 162 V CA -0.931 61.411 62.300 0.071 0.000 0.860 162 V CB 1.684 33.528 31.823 0.034 0.000 0.991 162 V HN 0.507 nan 8.190 nan 0.000 0.427 163 L N 5.934 127.343 121.223 0.311 0.000 2.319 163 L HA 0.484 4.824 4.340 -0.000 0.000 0.280 163 L C 0.680 177.588 176.870 0.063 0.000 1.099 163 L CA 0.442 55.421 54.840 0.233 0.000 0.828 163 L CB 0.086 42.214 42.059 0.114 0.000 1.150 163 L HN 0.757 nan 8.230 nan 0.000 0.442 164 N N 3.684 122.412 118.700 0.045 0.000 2.669 164 N HA -0.161 4.579 4.740 -0.000 0.000 0.266 164 N C -2.372 173.185 175.510 0.078 0.000 1.024 164 N CA 0.673 53.746 53.050 0.038 0.000 0.766 164 N CB -1.256 37.222 38.487 -0.015 0.000 0.898 164 N HN 0.518 nan 8.380 nan 0.000 0.548 165 P HA 0.046 nan 4.420 nan 0.000 0.271 165 P C 0.572 177.916 177.300 0.074 0.000 1.218 165 P CA -0.015 63.126 63.100 0.068 0.000 0.780 165 P CB 0.529 32.265 31.700 0.059 0.000 0.901 166 T N -0.173 114.427 114.554 0.076 0.000 2.766 166 T HA 0.026 4.376 4.350 -0.000 0.000 0.295 166 T C 1.495 176.223 174.700 0.046 0.000 1.024 166 T CA -0.425 61.717 62.100 0.070 0.000 1.018 166 T CB 0.223 69.135 68.868 0.073 0.000 1.002 166 T HN 0.294 nan 8.240 nan 0.000 0.532 167 Q N 0.540 120.363 119.800 0.039 0.000 2.170 167 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 167 Q C 1.786 177.804 176.000 0.029 0.000 0.976 167 Q CA 1.525 57.347 55.803 0.032 0.000 0.858 167 Q CB -0.548 28.207 28.738 0.028 0.000 0.907 167 Q HN 0.713 nan 8.270 nan 0.000 0.433 168 D N 0.742 121.159 120.400 0.028 0.000 2.149 168 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 168 D C 1.690 178.002 176.300 0.019 0.000 0.972 168 D CA 0.765 54.778 54.000 0.022 0.000 0.835 168 D CB 0.057 40.869 40.800 0.020 0.000 0.966 168 D HN 0.398 nan 8.370 nan 0.000 0.476 169 E N 0.079 120.293 120.200 0.023 0.000 2.150 169 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 169 E C 2.159 178.771 176.600 0.021 0.000 0.985 169 E CA 0.182 56.593 56.400 0.018 0.000 0.814 169 E CB 0.024 29.737 29.700 0.021 0.000 0.752 169 E HN 0.230 nan 8.360 nan 0.000 0.466 170 L N 0.877 122.118 121.223 0.029 0.000 2.362 170 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 170 L C 2.058 178.945 176.870 0.029 0.000 1.134 170 L CA 0.908 55.769 54.840 0.033 0.000 0.807 170 L CB -0.114 41.967 42.059 0.037 0.000 0.927 170 L HN 0.032 nan 8.230 nan 0.000 0.447 171 K N -0.258 120.155 120.400 0.023 0.000 2.283 171 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 171 K C 1.355 177.963 176.600 0.014 0.000 1.048 171 K CA 0.798 57.096 56.287 0.019 0.000 0.948 171 K CB 0.119 32.628 32.500 0.015 0.000 0.742 171 K HN 0.280 nan 8.250 nan 0.000 0.458 172 E N 0.085 120.290 120.200 0.009 0.000 2.481 172 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 172 E C 0.120 176.722 176.600 0.002 0.000 1.027 172 E CA 0.081 56.480 56.400 -0.001 0.000 0.900 172 E CB 0.724 30.416 29.700 -0.015 0.000 0.993 172 E HN -0.055 nan 8.360 nan 0.000 0.482 173 S N 0.748 116.461 115.700 0.022 0.000 2.562 173 S HA 0.105 4.574 4.470 -0.000 0.000 0.275 173 S C 0.911 175.551 174.600 0.067 0.000 1.281 173 S CA -0.339 57.889 58.200 0.047 0.000 1.045 173 S CB 1.006 64.243 63.200 0.062 0.000 0.962 173 S HN -0.138 nan 8.310 nan 0.000 0.503 174 K N 2.795 123.264 120.400 0.115 0.000 2.404 174 K HA 0.321 4.641 4.320 -0.000 0.000 0.194 174 K C -0.124 176.538 176.600 0.104 0.000 1.023 174 K CA -0.110 56.249 56.287 0.120 0.000 1.094 174 K CB -0.499 32.111 32.500 0.183 0.000 0.841 174 K HN 0.558 nan 8.250 nan 0.000 0.523 175 L N 0.101 121.392 121.223 0.114 0.000 2.505 175 L HA 0.550 4.890 4.340 -0.000 0.000 0.259 175 L C -2.284 174.633 176.870 0.077 0.000 0.952 175 L CA -0.445 54.444 54.840 0.082 0.000 0.840 175 L CB 2.563 44.675 42.059 0.090 0.000 1.358 175 L HN -0.106 nan 8.230 nan 0.000 0.409 176 D N 4.347 124.776 120.400 0.049 0.000 2.389 176 D HA 0.373 5.013 4.640 -0.000 0.000 0.256 176 D C -1.799 174.518 176.300 0.028 0.000 1.239 176 D CA 0.053 54.079 54.000 0.044 0.000 0.925 176 D CB 1.204 42.024 40.800 0.034 0.000 1.145 176 D HN 0.665 nan 8.370 nan 0.000 0.542 177 L N 3.199 124.445 121.223 0.039 0.000 2.365 177 L HA 0.667 5.007 4.340 -0.000 0.000 0.273 177 L C -1.390 175.498 176.870 0.030 0.000 1.000 177 L CA -0.663 54.190 54.840 0.021 0.000 0.819 177 L CB 1.930 44.000 42.059 0.019 0.000 1.284 177 L HN 0.051 nan 8.230 nan 0.000 0.418 178 V N 5.416 125.336 119.914 0.010 0.000 2.487 178 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 178 V C -0.627 175.472 176.094 0.008 0.000 1.028 178 V CA -0.610 61.700 62.300 0.017 0.000 0.860 178 V CB 1.820 33.646 31.823 0.004 0.000 0.991 178 V HN 0.520 nan 8.190 nan 0.000 0.427 179 V N 4.637 124.569 119.914 0.029 0.000 2.656 179 V HA 0.974 5.094 4.120 -0.000 0.000 0.307 179 V C -0.240 175.883 176.094 0.048 0.000 1.051 179 V CA -0.083 62.232 62.300 0.025 0.000 0.893 179 V CB 1.832 33.673 31.823 0.030 0.000 0.999 179 V HN 1.131 nan 8.190 nan 0.000 0.426 180 A N 4.289 127.131 122.820 0.036 0.000 2.414 180 A HA 1.056 5.376 4.320 -0.000 0.000 0.306 180 A C -0.111 177.503 177.584 0.051 0.000 1.054 180 A CA 0.039 52.105 52.037 0.049 0.000 0.724 180 A CB 1.917 20.938 19.000 0.035 0.000 1.267 180 A HN 1.953 nan 8.150 nan 0.000 0.418 181 G N -0.303 108.544 108.800 0.079 0.000 2.506 181 G HA2 0.641 4.601 3.960 -0.000 0.000 0.292 181 G HA3 0.641 4.601 3.960 -0.000 0.000 0.292 181 G C -0.210 174.731 174.900 0.069 0.000 1.425 181 G CA 0.300 45.446 45.100 0.076 0.000 0.788 181 G HN 1.375 nan 8.290 nan 0.000 0.490 182 T N -2.221 112.357 114.554 0.039 0.000 2.801 182 T HA 0.325 4.674 4.350 -0.000 0.000 0.324 182 T C 1.273 175.992 174.700 0.032 0.000 1.088 182 T CA 0.698 62.790 62.100 -0.013 0.000 0.975 182 T CB 1.157 69.981 68.868 -0.073 0.000 1.316 182 T HN 0.635 nan 8.240 nan 0.000 0.533 183 E N 0.012 120.190 120.200 -0.037 0.000 2.106 183 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 183 E C 2.234 178.847 176.600 0.022 0.000 0.984 183 E CA 0.972 57.337 56.400 -0.059 0.000 0.806 183 E CB -0.446 29.206 29.700 -0.079 0.000 0.750 183 E HN 0.713 nan 8.360 nan 0.000 0.458 184 A N 0.883 123.725 122.820 0.037 0.000 1.855 184 A HA 0.337 4.656 4.320 -0.000 0.000 0.213 184 A C 1.125 178.761 177.584 0.086 0.000 1.195 184 A CA 1.135 53.199 52.037 0.044 0.000 0.610 184 A CB -0.057 18.935 19.000 -0.012 0.000 0.837 184 A HN 0.323 nan 8.150 nan 0.000 0.444 185 A N -1.812 121.036 122.820 0.047 0.000 2.566 185 A HA 0.596 4.916 4.320 -0.000 0.000 0.292 185 A C -0.701 176.749 177.584 -0.224 0.000 1.112 185 A CA -0.449 51.511 52.037 -0.128 0.000 0.707 185 A CB 0.733 19.670 19.000 -0.105 0.000 1.302 185 A HN 0.419 nan 8.150 nan 0.000 0.409 186 V N 1.259 120.934 119.914 -0.399 0.000 2.686 186 V HA 0.203 4.322 4.120 -0.000 0.000 0.295 186 V C 0.785 176.810 176.094 -0.115 0.000 1.055 186 V CA 0.387 62.525 62.300 -0.270 0.000 1.050 186 V CB 0.918 32.581 31.823 -0.266 0.000 0.984 186 V HN 0.796 nan 8.190 nan 0.000 0.482 187 L N 3.153 124.339 121.223 -0.061 0.000 2.653 187 L HA 0.402 4.742 4.340 -0.000 0.000 0.230 187 L C 0.391 177.248 176.870 -0.021 0.000 1.055 187 L CA 0.429 55.249 54.840 -0.033 0.000 0.880 187 L CB 0.464 42.510 42.059 -0.021 0.000 1.195 187 L HN 0.496 nan 8.230 nan 0.000 0.492 188 M N 0.813 120.398 119.600 -0.024 0.000 2.322 188 M HA 0.473 4.953 4.480 -0.000 0.000 0.286 188 M C -2.193 174.080 176.300 -0.046 0.000 1.111 188 M CA -0.390 54.892 55.300 -0.030 0.000 0.941 188 M CB 2.424 35.018 32.600 -0.010 0.000 1.671 188 M HN -0.277 nan 8.290 nan 0.000 0.470 189 V N 3.518 123.385 119.914 -0.078 0.000 2.638 189 V HA 0.554 4.673 4.120 -0.000 0.000 0.306 189 V C -1.144 174.890 176.094 -0.101 0.000 1.052 189 V CA -0.551 61.694 62.300 -0.092 0.000 0.885 189 V CB 2.177 33.919 31.823 -0.135 0.000 0.999 189 V HN 0.872 nan 8.190 nan 0.000 0.424 190 E N 3.203 123.359 120.200 -0.075 0.000 2.260 190 E HA 0.743 5.092 4.350 -0.000 0.000 0.266 190 E C -0.867 175.697 176.600 -0.060 0.000 0.887 190 E CA -0.196 56.160 56.400 -0.074 0.000 0.777 190 E CB 1.987 31.651 29.700 -0.059 0.000 1.205 190 E HN 0.848 nan 8.360 nan 0.000 0.414 191 S N 2.732 118.391 115.700 -0.069 0.000 2.550 191 S HA 0.720 5.189 4.470 -0.000 0.000 0.270 191 S C -1.165 173.407 174.600 -0.047 0.000 1.145 191 S CA -1.120 57.050 58.200 -0.050 0.000 0.852 191 S CB 1.324 64.492 63.200 -0.053 0.000 1.119 191 S HN 0.484 nan 8.310 nan 0.000 0.465 192 E N 0.662 120.847 120.200 -0.025 0.000 2.272 192 E HA 0.794 5.144 4.350 -0.000 0.000 0.269 192 E C -0.896 175.700 176.600 -0.007 0.000 0.877 192 E CA -1.454 54.936 56.400 -0.018 0.000 0.755 192 E CB 2.020 31.718 29.700 -0.004 0.000 1.192 192 E HN 0.954 nan 8.360 nan 0.000 0.422 193 A N 2.530 125.343 122.820 -0.011 0.000 2.515 193 A HA 0.414 4.733 4.320 -0.000 0.000 0.296 193 A C -0.705 176.878 177.584 -0.002 0.000 1.094 193 A CA -0.891 51.142 52.037 -0.007 0.000 0.718 193 A CB 1.542 20.526 19.000 -0.028 0.000 1.307 193 A HN 0.738 nan 8.150 nan 0.000 0.408 194 E N 1.472 121.677 120.200 0.008 0.000 2.261 194 E HA 0.393 4.743 4.350 -0.000 0.000 0.308 194 E C -0.871 175.730 176.600 0.002 0.000 1.400 194 E CA -0.172 56.233 56.400 0.009 0.000 1.542 194 E CB -0.543 29.170 29.700 0.022 0.000 1.369 194 E HN 0.558 nan 8.360 nan 0.000 0.493 195 L N 1.118 122.336 121.223 -0.008 0.000 3.632 195 L HA -0.265 4.075 4.340 -0.000 0.000 0.510 195 L C -0.366 176.495 176.870 -0.016 0.000 1.299 195 L CA 0.173 55.007 54.840 -0.011 0.000 0.829 195 L CB -1.571 40.484 42.059 -0.007 0.000 1.559 195 L HN 0.495 nan 8.230 nan 0.000 0.857 196 L N -0.325 120.878 121.223 -0.033 0.000 2.421 196 L HA 0.485 4.825 4.340 -0.000 0.000 0.263 196 L C 1.237 178.080 176.870 -0.044 0.000 1.122 196 L CA -0.011 54.792 54.840 -0.060 0.000 0.804 196 L CB 1.524 43.504 42.059 -0.131 0.000 1.150 196 L HN 0.473 nan 8.230 nan 0.000 0.457 197 S N 0.008 115.682 115.700 -0.044 0.000 2.624 197 S HA 0.113 4.583 4.470 -0.000 0.000 0.263 197 S C 0.734 175.327 174.600 -0.012 0.000 1.287 197 S CA -0.563 57.625 58.200 -0.019 0.000 0.990 197 S CB 1.132 64.327 63.200 -0.009 0.000 0.950 197 S HN 0.602 nan 8.310 nan 0.000 0.561 198 E N 0.761 120.966 120.200 0.009 0.000 2.085 198 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 198 E C 1.399 178.015 176.600 0.026 0.000 0.994 198 E CA 1.665 58.079 56.400 0.025 0.000 0.801 198 E CB -0.303 29.417 29.700 0.033 0.000 0.743 198 E HN 0.670 nan 8.360 nan 0.000 0.453 199 D N 0.016 120.430 120.400 0.023 0.000 2.144 199 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 199 D C 1.807 178.136 176.300 0.049 0.000 0.978 199 D CA 0.812 54.834 54.000 0.037 0.000 0.833 199 D CB -0.139 40.684 40.800 0.038 0.000 0.961 199 D HN 0.258 nan 8.370 nan 0.000 0.470 200 Q N -0.638 119.167 119.800 0.008 0.000 2.119 200 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 200 Q C 1.996 177.993 176.000 -0.004 0.000 0.972 200 Q CA 0.770 56.555 55.803 -0.031 0.000 0.847 200 Q CB 0.072 28.681 28.738 -0.215 0.000 0.903 200 Q HN 0.217 nan 8.270 nan 0.000 0.433 201 M N -0.059 119.525 119.600 -0.027 0.000 2.156 201 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 201 M C 2.143 178.434 176.300 -0.014 0.000 1.067 201 M CA 0.934 56.217 55.300 -0.028 0.000 1.131 201 M CB -0.777 31.808 32.600 -0.024 0.000 1.368 201 M HN 0.233 nan 8.290 nan 0.000 0.416 202 L N 0.550 121.781 121.223 0.014 0.000 2.093 202 L HA 0.007 4.346 4.340 -0.000 0.000 0.208 202 L C 2.278 179.142 176.870 -0.011 0.000 1.085 202 L CA 1.874 56.725 54.840 0.018 0.000 0.755 202 L CB -1.163 40.919 42.059 0.040 0.000 0.904 202 L HN 0.308 nan 8.230 nan 0.000 0.435 203 G N -1.182 107.621 108.800 0.005 0.000 2.422 203 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 203 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 203 G C 1.594 176.218 174.900 -0.460 0.000 1.146 203 G CA 0.682 45.750 45.100 -0.054 0.000 0.769 203 G HN 0.598 nan 8.290 nan 0.000 0.547 204 A N 0.140 122.669 122.820 -0.485 0.000 1.930 204 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 204 A C 2.584 180.068 177.584 -0.166 0.000 1.175 204 A CA 1.715 53.445 52.037 -0.512 0.000 0.627 204 A CB -0.469 18.433 19.000 -0.164 0.000 0.815 204 A HN 0.242 nan 8.150 nan 0.000 0.443 205 V N -0.435 119.423 119.914 -0.093 0.000 2.307 205 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 205 V C 2.563 178.662 176.094 0.008 0.000 1.045 205 V CA 1.946 64.228 62.300 -0.030 0.000 1.024 205 V CB -0.836 30.967 31.823 -0.033 0.000 0.651 205 V HN 0.361 nan 8.190 nan 0.000 0.449 206 V N -0.365 119.549 119.914 -0.000 0.000 2.295 206 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 206 V C 2.178 178.315 176.094 0.071 0.000 1.049 206 V CA 2.450 64.781 62.300 0.051 0.000 1.024 206 V CB -0.802 31.047 31.823 0.043 0.000 0.648 206 V HN 0.556 nan 8.190 nan 0.000 0.447 207 F N 2.138 122.001 119.950 -0.144 0.000 2.046 207 F HA -0.129 4.397 4.527 -0.000 0.000 0.297 207 F C 2.249 178.020 175.800 -0.048 0.000 1.123 207 F CA 2.040 59.961 58.000 -0.133 0.000 1.199 207 F CB -0.975 37.826 39.000 -0.331 0.000 0.972 207 F HN 0.144 nan 8.300 nan 0.000 0.474 208 G N -1.185 107.623 108.800 0.013 0.000 2.432 208 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 208 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 208 G C 1.774 176.663 174.900 -0.019 0.000 1.135 208 G CA 1.040 46.125 45.100 -0.025 0.000 0.767 208 G HN 0.608 nan 8.290 nan 0.000 0.550 209 H N 0.485 119.508 119.070 -0.078 0.000 2.395 209 H HA 0.058 4.614 4.556 -0.000 0.000 0.299 209 H C 2.338 177.614 175.328 -0.087 0.000 1.070 209 H CA 1.387 57.396 56.048 -0.065 0.000 1.356 209 H CB 0.274 30.007 29.762 -0.048 0.000 1.401 209 H HN 0.464 nan 8.280 nan 0.000 0.524 210 E N 0.044 120.138 120.200 -0.177 0.000 2.107 210 E HA -0.127 4.222 4.350 -0.000 0.000 0.191 210 E C 2.380 178.839 176.600 -0.235 0.000 0.982 210 E CA 0.459 56.725 56.400 -0.223 0.000 0.809 210 E CB 0.216 29.831 29.700 -0.142 0.000 0.756 210 E HN 0.438 nan 8.360 nan 0.000 0.459 211 Q N 0.411 120.035 119.800 -0.294 0.000 2.230 211 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 211 Q C 1.936 177.953 176.000 0.028 0.000 0.963 211 Q CA 1.126 56.800 55.803 -0.216 0.000 0.866 211 Q CB -0.026 28.451 28.738 -0.434 0.000 0.931 211 Q HN 0.526 nan 8.270 nan 0.000 0.452 212 Q N -0.688 119.100 119.800 -0.019 0.000 2.403 212 Q HA 0.006 4.346 4.340 -0.000 0.000 0.203 212 Q C 1.234 177.136 176.000 -0.163 0.000 0.932 212 Q CA 0.126 55.920 55.803 -0.015 0.000 0.945 212 Q CB 0.215 28.960 28.738 0.011 0.000 1.045 212 Q HN 0.097 nan 8.270 nan 0.000 0.511 213 Q N 0.621 120.311 119.800 -0.182 0.000 2.291 213 Q HA -0.066 4.274 4.340 -0.000 0.000 0.205 213 Q C 2.067 177.942 176.000 -0.208 0.000 0.970 213 Q CA 0.987 56.665 55.803 -0.207 0.000 0.876 213 Q CB -0.124 28.491 28.738 -0.205 0.000 0.935 213 Q HN 0.363 nan 8.270 nan 0.000 0.455 214 V N 0.152 119.952 119.914 -0.191 0.000 2.515 214 V HA -0.158 3.961 4.120 -0.000 0.000 0.250 214 V C 2.087 177.877 176.094 -0.506 0.000 1.058 214 V CA 0.989 63.142 62.300 -0.245 0.000 1.064 214 V CB -0.078 31.702 31.823 -0.071 0.000 0.675 214 V HN 0.103 nan 8.190 nan 0.000 0.461 215 V N 0.162 119.776 119.914 -0.499 0.000 2.358 215 V HA -0.210 3.909 4.120 -0.000 0.000 0.246 215 V C 2.256 178.104 176.094 -0.411 0.000 1.047 215 V CA 2.407 64.376 62.300 -0.551 0.000 1.035 215 V CB -0.497 31.072 31.823 -0.422 0.000 0.658 215 V HN 0.493 nan 8.190 nan 0.000 0.452 216 I N -0.241 120.154 120.570 -0.291 0.000 2.226 216 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 216 I C 2.672 178.656 176.117 -0.221 0.000 1.100 216 I CA 1.604 62.777 61.300 -0.211 0.000 1.374 216 I CB -0.390 37.509 38.000 -0.170 0.000 1.057 216 I HN 0.335 nan 8.210 nan 0.000 0.413 217 Q N 0.372 120.019 119.800 -0.255 0.000 2.124 217 Q HA -0.173 4.166 4.340 -0.000 0.000 0.202 217 Q C 1.999 177.843 176.000 -0.260 0.000 0.977 217 Q CA 1.334 57.001 55.803 -0.226 0.000 0.850 217 Q CB -0.121 28.491 28.738 -0.210 0.000 0.901 217 Q HN 0.504 nan 8.270 nan 0.000 0.429 218 N N 0.134 118.585 118.700 -0.416 0.000 2.300 218 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 218 N C 1.718 177.079 175.510 -0.248 0.000 1.016 218 N CA 0.816 53.606 53.050 -0.432 0.000 0.876 218 N CB 0.144 38.054 38.487 -0.962 0.000 0.979 218 N HN 0.262 nan 8.380 nan 0.000 0.432 219 I N 1.421 121.859 120.570 -0.221 0.000 2.252 219 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 219 I C 1.825 177.888 176.117 -0.089 0.000 1.102 219 I CA 0.706 61.938 61.300 -0.113 0.000 1.385 219 I CB -0.216 37.729 38.000 -0.090 0.000 1.064 219 I HN 0.033 nan 8.210 nan 0.000 0.414 220 N N 0.724 119.360 118.700 -0.107 0.000 2.149 220 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 220 N C 1.775 177.244 175.510 -0.068 0.000 1.019 220 N CA 1.228 54.228 53.050 -0.083 0.000 0.857 220 N CB -0.203 38.228 38.487 -0.092 0.000 0.997 220 N HN 0.354 nan 8.380 nan 0.000 0.426 221 E N 0.679 120.831 120.200 -0.080 0.000 2.107 221 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 221 E C 2.051 178.630 176.600 -0.035 0.000 0.982 221 E CA 0.255 56.621 56.400 -0.057 0.000 0.809 221 E CB -0.373 29.288 29.700 -0.065 0.000 0.756 221 E HN 0.229 nan 8.360 nan 0.000 0.459 222 L N 0.620 121.822 121.223 -0.035 0.000 2.093 222 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 222 L C 2.222 179.085 176.870 -0.012 0.000 1.085 222 L CA 1.064 55.897 54.840 -0.012 0.000 0.755 222 L CB -0.230 41.827 42.059 -0.003 0.000 0.904 222 L HN -0.113 nan 8.230 nan 0.000 0.435 223 V N -0.419 119.481 119.914 -0.022 0.000 2.427 223 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 223 V C 2.660 178.747 176.094 -0.012 0.000 1.051 223 V CA 1.393 63.682 62.300 -0.018 0.000 1.048 223 V CB -0.702 31.106 31.823 -0.026 0.000 0.666 223 V HN 0.392 nan 8.190 nan 0.000 0.456 224 K N 0.340 120.730 120.400 -0.017 0.000 2.063 224 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 224 K C 2.042 178.640 176.600 -0.003 0.000 1.048 224 K CA 1.800 58.080 56.287 -0.012 0.000 0.928 224 K CB -0.278 32.211 32.500 -0.017 0.000 0.713 224 K HN 0.645 nan 8.250 nan 0.000 0.442 225 E N -0.286 119.913 120.200 -0.002 0.000 2.076 225 E HA -0.032 4.317 4.350 -0.000 0.000 0.190 225 E C 1.489 178.095 176.600 0.010 0.000 0.979 225 E CA 1.010 57.413 56.400 0.005 0.000 0.807 225 E CB 0.111 29.816 29.700 0.008 0.000 0.761 225 E HN 0.252 nan 8.360 nan 0.000 0.454 226 A N 1.196 124.021 122.820 0.010 0.000 2.508 226 A HA 0.323 4.643 4.320 -0.000 0.000 0.250 226 A C 1.080 178.673 177.584 0.015 0.000 1.208 226 A CA 0.140 52.186 52.037 0.015 0.000 0.960 226 A CB 0.447 19.458 19.000 0.018 0.000 1.099 226 A HN 0.167 nan 8.150 nan 0.000 0.542 227 G N 0.795 109.602 108.800 0.010 0.000 2.380 227 G HA2 0.358 4.317 3.960 -0.000 0.000 0.242 227 G HA3 0.358 4.317 3.960 -0.000 0.000 0.242 227 G C -0.046 174.870 174.900 0.028 0.000 1.298 227 G CA -0.171 44.936 45.100 0.011 0.000 0.878 227 G HN 0.414 nan 8.290 nan 0.000 0.542 228 K N 2.583 123.007 120.400 0.040 0.000 2.168 228 K HA 0.216 4.535 4.320 -0.000 0.000 0.258 228 K C -1.926 174.725 176.600 0.085 0.000 1.010 228 K CA -1.219 55.109 56.287 0.069 0.000 0.929 228 K CB 0.769 33.328 32.500 0.098 0.000 0.998 228 K HN 0.350 nan 8.250 nan 0.000 0.479 229 P HA 0.022 nan 4.420 nan 0.000 0.266 229 P C -0.685 176.719 177.300 0.173 0.000 1.195 229 P CA -0.017 63.149 63.100 0.109 0.000 0.768 229 P CB 0.474 32.232 31.700 0.096 0.000 0.838 230 R N 2.256 122.843 120.500 0.145 0.000 2.489 230 R HA 0.083 4.423 4.340 -0.000 0.000 0.287 230 R C -0.085 176.402 176.300 0.312 0.000 1.053 230 R CA 0.139 56.346 56.100 0.179 0.000 1.036 230 R CB -0.435 29.928 30.300 0.106 0.000 0.966 230 R HN 0.456 nan 8.270 nan 0.000 0.432 231 W N 2.157 123.495 121.300 0.065 0.000 2.295 231 W HA -0.071 4.588 4.660 -0.000 0.000 0.335 231 W C 0.684 177.294 176.519 0.152 0.000 1.351 231 W CA -0.113 57.300 57.345 0.113 0.000 1.273 231 W CB 0.056 29.598 29.460 0.136 0.000 1.214 231 W HN 0.431 nan 8.180 nan 0.000 0.563 232 D N 3.631 124.206 120.400 0.291 0.000 2.455 232 D HA -0.004 4.635 4.640 -0.000 0.000 0.234 232 D C -1.001 175.483 176.300 0.307 0.000 1.224 232 D CA -0.078 54.052 54.000 0.218 0.000 0.999 232 D CB -0.455 40.406 40.800 0.101 0.000 1.072 232 D HN 0.345 nan 8.370 nan 0.000 0.514 233 W N 3.764 125.171 121.300 0.178 0.000 2.702 233 W HA 0.359 5.019 4.660 -0.000 0.000 0.331 233 W C -1.193 175.408 176.519 0.137 0.000 1.049 233 W CA -0.623 56.843 57.345 0.203 0.000 1.230 233 W CB 1.220 30.878 29.460 0.330 0.000 1.408 233 W HN 0.045 nan 8.180 nan 0.000 0.492 234 Q N 6.385 125.641 119.800 -0.907 0.000 2.375 234 Q HA 0.428 4.768 4.340 -0.000 0.000 0.271 234 Q C -2.287 172.801 176.000 -1.520 0.000 1.074 234 Q CA -2.047 53.211 55.803 -0.910 0.000 0.808 234 Q CB 1.835 30.323 28.738 -0.417 0.000 1.327 234 Q HN 0.359 nan 8.270 nan 0.000 0.441 235 P HA 0.082 nan 4.420 nan 0.000 0.274 235 P C -0.246 176.878 177.300 -0.293 0.000 1.246 235 P CA -0.319 62.451 63.100 -0.550 0.000 0.795 235 P CB 0.860 32.474 31.700 -0.143 0.000 1.006 236 E N 1.665 121.787 120.200 -0.130 0.000 2.465 236 E HA 0.055 4.405 4.350 -0.000 0.000 0.260 236 E C -1.593 174.969 176.600 -0.063 0.000 0.980 236 E CA -0.803 55.551 56.400 -0.077 0.000 0.927 236 E CB -0.458 29.233 29.700 -0.015 0.000 0.934 236 E HN 0.369 nan 8.360 nan 0.000 0.459 237 P HA -0.004 nan 4.420 nan 0.000 0.268 237 P C -0.072 177.215 177.300 -0.021 0.000 1.204 237 P CA -0.226 62.848 63.100 -0.043 0.000 0.768 237 P CB 0.399 32.074 31.700 -0.042 0.000 0.842 238 V N 0.442 120.348 119.914 -0.013 0.000 2.599 238 V HA 0.142 4.262 4.120 -0.000 0.000 0.300 238 V C 0.487 176.581 176.094 -0.001 0.000 1.034 238 V CA -0.339 61.960 62.300 -0.001 0.000 1.115 238 V CB -0.186 31.639 31.823 0.003 0.000 0.934 238 V HN 0.541 nan 8.190 nan 0.000 0.485 239 N N 3.279 121.981 118.700 0.004 0.000 2.621 239 N HA 0.255 4.995 4.740 -0.000 0.000 0.237 239 N C 0.689 176.203 175.510 0.007 0.000 0.997 239 N CA -0.274 52.778 53.050 0.004 0.000 0.918 239 N CB 1.212 39.703 38.487 0.006 0.000 1.122 239 N HN 0.833 nan 8.380 nan 0.000 0.510 240 E N 1.554 121.757 120.200 0.004 0.000 2.150 240 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 240 E C 1.418 178.021 176.600 0.006 0.000 0.985 240 E CA 1.056 57.459 56.400 0.005 0.000 0.814 240 E CB 0.201 29.903 29.700 0.003 0.000 0.752 240 E HN 0.691 nan 8.360 nan 0.000 0.466 241 A N 0.829 123.652 122.820 0.005 0.000 1.930 241 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 241 A C 2.079 179.668 177.584 0.008 0.000 1.175 241 A CA 0.855 52.895 52.037 0.006 0.000 0.627 241 A CB -0.288 18.714 19.000 0.004 0.000 0.815 241 A HN 0.201 nan 8.150 nan 0.000 0.443 242 L N 0.028 121.257 121.223 0.009 0.000 2.131 242 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 242 L C 1.796 178.675 176.870 0.015 0.000 1.087 242 L CA 1.640 56.487 54.840 0.013 0.000 0.767 242 L CB -0.686 41.381 42.059 0.014 0.000 0.917 242 L HN 0.277 nan 8.230 nan 0.000 0.441 243 N N 0.346 119.055 118.700 0.015 0.000 2.069 243 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 243 N C 1.823 177.341 175.510 0.014 0.000 1.031 243 N CA 1.729 54.788 53.050 0.016 0.000 0.852 243 N CB -0.523 37.972 38.487 0.014 0.000 1.018 243 N HN 0.482 nan 8.380 nan 0.000 0.423 244 A N 0.849 123.675 122.820 0.011 0.000 1.968 244 A HA -0.031 4.288 4.320 -0.000 0.000 0.217 244 A C 2.232 179.822 177.584 0.011 0.000 1.169 244 A CA 0.932 52.974 52.037 0.009 0.000 0.638 244 A CB -0.277 18.727 19.000 0.007 0.000 0.812 244 A HN 0.201 nan 8.150 nan 0.000 0.446 245 R N -0.704 119.803 120.500 0.012 0.000 2.075 245 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 245 R C 1.987 178.296 176.300 0.016 0.000 1.126 245 R CA 1.465 57.573 56.100 0.013 0.000 0.963 245 R CB -0.377 29.930 30.300 0.013 0.000 0.858 245 R HN 0.399 nan 8.270 nan 0.000 0.435 246 V N 0.638 120.563 119.914 0.018 0.000 2.379 246 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 246 V C 2.365 178.472 176.094 0.021 0.000 1.044 246 V CA 1.835 64.148 62.300 0.023 0.000 1.036 246 V CB -0.599 31.241 31.823 0.028 0.000 0.664 246 V HN 0.375 nan 8.190 nan 0.000 0.453 247 A N 0.202 123.033 122.820 0.018 0.000 1.933 247 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 247 A C 2.393 179.985 177.584 0.014 0.000 1.175 247 A CA 1.949 53.995 52.037 0.015 0.000 0.628 247 A CB -0.692 18.315 19.000 0.011 0.000 0.814 247 A HN 0.565 nan 8.150 nan 0.000 0.444 248 A N -0.656 122.172 122.820 0.013 0.000 1.972 248 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 248 A C 2.060 179.652 177.584 0.014 0.000 1.169 248 A CA 1.438 53.482 52.037 0.012 0.000 0.635 248 A CB -0.393 18.613 19.000 0.011 0.000 0.810 248 A HN 0.474 nan 8.150 nan 0.000 0.446 249 L N -2.336 118.897 121.223 0.017 0.000 2.354 249 L HA 0.149 4.488 4.340 -0.000 0.000 0.212 249 L C 2.497 179.380 176.870 0.021 0.000 1.091 249 L CA 0.793 55.644 54.840 0.018 0.000 0.828 249 L CB 0.020 42.091 42.059 0.019 0.000 0.973 249 L HN 0.414 nan 8.230 nan 0.000 0.461 250 A N -1.023 121.812 122.820 0.024 0.000 2.009 250 A HA 0.003 4.323 4.320 -0.000 0.000 0.197 250 A C 1.965 179.568 177.584 0.032 0.000 1.471 250 A CA 0.186 52.241 52.037 0.030 0.000 0.973 250 A CB 0.002 19.023 19.000 0.037 0.000 1.020 250 A HN 0.211 nan 8.150 nan 0.000 0.476 251 E N 0.751 120.967 120.200 0.026 0.000 2.070 251 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 251 E C 1.997 178.613 176.600 0.027 0.000 1.004 251 E CA 1.687 58.101 56.400 0.023 0.000 0.805 251 E CB -0.219 29.488 29.700 0.013 0.000 0.744 251 E HN 0.534 nan 8.360 nan 0.000 0.451 252 A N 0.763 123.597 122.820 0.023 0.000 1.930 252 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 252 A C 2.148 179.749 177.584 0.028 0.000 1.175 252 A CA 1.439 53.489 52.037 0.022 0.000 0.627 252 A CB -0.376 18.633 19.000 0.016 0.000 0.815 252 A HN 0.190 nan 8.150 nan 0.000 0.443 253 R N -0.670 119.847 120.500 0.029 0.000 2.073 253 R HA 0.071 4.410 4.340 -0.000 0.000 0.229 253 R C 1.940 178.265 176.300 0.041 0.000 1.120 253 R CA 1.222 57.339 56.100 0.028 0.000 0.967 253 R CB -0.423 29.890 30.300 0.023 0.000 0.862 253 R HN 0.469 nan 8.270 nan 0.000 0.436 254 L N 0.246 121.508 121.223 0.066 0.000 2.201 254 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 254 L C 2.222 179.204 176.870 0.185 0.000 1.105 254 L CA 0.899 55.818 54.840 0.132 0.000 0.775 254 L CB -0.203 41.945 42.059 0.148 0.000 0.913 254 L HN 0.128 nan 8.230 nan 0.000 0.440 255 S N -0.376 115.387 115.700 0.105 0.000 2.382 255 S HA -0.171 4.298 4.470 -0.000 0.000 0.228 255 S C 1.470 176.122 174.600 0.086 0.000 1.027 255 S CA 1.283 59.537 58.200 0.089 0.000 0.991 255 S CB -0.185 63.041 63.200 0.044 0.000 0.823 255 S HN 0.436 nan 8.310 nan 0.000 0.469 256 D N 1.470 121.904 120.400 0.056 0.000 2.162 256 D HA 0.130 4.770 4.640 -0.000 0.000 0.203 256 D C 2.110 178.418 176.300 0.013 0.000 0.967 256 D CA 0.967 54.986 54.000 0.031 0.000 0.840 256 D CB -0.413 40.397 40.800 0.017 0.000 0.972 256 D HN 0.352 nan 8.370 nan 0.000 0.482 257 A N 0.013 122.830 122.820 -0.006 0.000 1.933 257 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 257 A C 1.395 178.847 177.584 -0.220 0.000 1.175 257 A CA 1.002 52.966 52.037 -0.121 0.000 0.628 257 A CB -0.881 18.014 19.000 -0.174 0.000 0.814 257 A HN 0.267 nan 8.150 nan 0.000 0.444 258 Y N -0.680 119.600 120.300 -0.032 0.000 2.496 258 Y HA 0.196 4.746 4.550 -0.000 0.000 0.313 258 Y C 2.001 177.889 175.900 -0.020 0.000 1.184 258 Y CA 0.283 58.362 58.100 -0.035 0.000 1.275 258 Y CB 0.068 38.503 38.460 -0.042 0.000 1.103 258 Y HN 0.241 nan 8.280 nan 0.000 0.513 259 R N -0.641 119.898 120.500 0.065 0.000 2.373 259 R HA 0.265 4.605 4.340 -0.000 0.000 0.221 259 R C -0.081 176.227 176.300 0.014 0.000 0.893 259 R CA -0.069 56.057 56.100 0.043 0.000 1.049 259 R CB 0.580 30.901 30.300 0.036 0.000 1.119 259 R HN 0.199 nan 8.270 nan 0.000 0.535 260 I N 2.038 122.598 120.570 -0.017 0.000 2.505 260 I HA -0.071 4.098 4.170 -0.000 0.000 0.287 260 I C 1.821 177.931 176.117 -0.011 0.000 1.104 260 I CA 0.230 61.517 61.300 -0.023 0.000 1.387 260 I CB 1.522 39.493 38.000 -0.048 0.000 1.404 260 I HN 0.156 nan 8.210 nan 0.000 0.528 261 T N 0.838 115.398 114.554 0.010 0.000 2.978 261 T HA -0.070 4.279 4.350 -0.000 0.000 0.262 261 T C 0.818 175.540 174.700 0.037 0.000 1.063 261 T CA 0.042 62.158 62.100 0.026 0.000 1.140 261 T CB -0.004 68.880 68.868 0.026 0.000 0.886 261 T HN 0.591 nan 8.240 nan 0.000 0.470 262 D N 1.530 121.949 120.400 0.032 0.000 2.417 262 D HA 0.029 4.669 4.640 -0.000 0.000 0.250 262 D C 1.012 177.357 176.300 0.076 0.000 1.166 262 D CA 0.004 54.031 54.000 0.045 0.000 0.881 262 D CB 1.140 41.959 40.800 0.032 0.000 1.164 262 D HN 0.303 nan 8.370 nan 0.000 0.467 263 K N 3.240 123.707 120.400 0.112 0.000 2.002 263 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 263 K C 1.851 178.612 176.600 0.268 0.000 1.048 263 K CA 1.286 57.707 56.287 0.223 0.000 0.930 263 K CB 0.144 32.754 32.500 0.183 0.000 0.714 263 K HN 0.546 nan 8.250 nan 0.000 0.438 264 Q N 0.237 120.106 119.800 0.115 0.000 2.096 264 Q HA -0.207 4.132 4.340 -0.000 0.000 0.204 264 Q C 2.103 178.166 176.000 0.105 0.000 0.982 264 Q CA 1.794 57.644 55.803 0.078 0.000 0.850 264 Q CB -0.075 28.680 28.738 0.028 0.000 0.901 264 Q HN 0.434 nan 8.270 nan 0.000 0.422 265 E N 0.754 120.999 120.200 0.075 0.000 2.107 265 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 265 E C 2.089 178.705 176.600 0.028 0.000 0.982 265 E CA 0.533 56.959 56.400 0.043 0.000 0.809 265 E CB 0.121 29.834 29.700 0.023 0.000 0.756 265 E HN 0.171 nan 8.360 nan 0.000 0.459 266 R N -0.605 119.912 120.500 0.027 0.000 2.062 266 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 266 R C 2.120 178.345 176.300 -0.126 0.000 1.136 266 R CA 1.655 57.693 56.100 -0.102 0.000 0.948 266 R CB -0.390 29.804 30.300 -0.177 0.000 0.845 266 R HN 0.208 nan 8.270 nan 0.000 0.430 267 Y N 0.428 120.681 120.300 -0.078 0.000 2.128 267 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 267 Y C 2.525 178.407 175.900 -0.029 0.000 1.154 267 Y CA 1.440 59.515 58.100 -0.042 0.000 1.149 267 Y CB -0.460 38.002 38.460 0.003 0.000 0.976 267 Y HN 0.297 nan 8.280 nan 0.000 0.505 268 A N -0.302 122.603 122.820 0.142 0.000 1.948 268 A HA -0.347 3.973 4.320 -0.000 0.000 0.220 268 A C 2.097 179.700 177.584 0.031 0.000 1.177 268 A CA 2.312 54.393 52.037 0.073 0.000 0.636 268 A CB -0.725 18.306 19.000 0.052 0.000 0.815 268 A HN 0.482 nan 8.150 nan 0.000 0.449 269 Q N -0.656 119.142 119.800 -0.003 0.000 2.163 269 Q HA 0.008 4.348 4.340 -0.000 0.000 0.198 269 Q C 1.835 177.811 176.000 -0.041 0.000 0.954 269 Q CA 1.613 57.400 55.803 -0.027 0.000 0.851 269 Q CB -0.455 28.253 28.738 -0.050 0.000 0.928 269 Q HN 0.295 nan 8.270 nan 0.000 0.459 270 V N 1.308 121.170 119.914 -0.087 0.000 2.332 270 V HA -0.260 3.859 4.120 -0.000 0.000 0.248 270 V C 1.901 177.996 176.094 0.002 0.000 1.055 270 V CA 2.210 64.463 62.300 -0.078 0.000 1.038 270 V CB -0.682 31.032 31.823 -0.181 0.000 0.651 270 V HN 0.517 nan 8.190 nan 0.000 0.450 271 D N -0.342 120.073 120.400 0.026 0.000 2.117 271 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 271 D C 2.015 178.337 176.300 0.036 0.000 0.982 271 D CA 1.326 55.355 54.000 0.049 0.000 0.828 271 D CB -0.035 40.805 40.800 0.067 0.000 0.967 271 D HN 0.207 nan 8.370 nan 0.000 0.464 272 V N 0.467 120.396 119.914 0.026 0.000 2.343 272 V HA -0.213 3.906 4.120 -0.000 0.000 0.247 272 V C 2.493 178.600 176.094 0.021 0.000 1.051 272 V CA 1.379 63.691 62.300 0.021 0.000 1.036 272 V CB -0.415 31.417 31.823 0.015 0.000 0.654 272 V HN 0.314 nan 8.190 nan 0.000 0.451 273 I N -0.458 120.123 120.570 0.019 0.000 2.179 273 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 273 I C 2.543 178.679 176.117 0.033 0.000 1.088 273 I CA 1.743 63.057 61.300 0.024 0.000 1.357 273 I CB -0.417 37.597 38.000 0.023 0.000 1.051 273 I HN 0.240 nan 8.210 nan 0.000 0.409 274 K N 0.255 120.679 120.400 0.040 0.000 2.057 274 K HA -0.092 4.227 4.320 -0.000 0.000 0.206 274 K C 2.330 178.955 176.600 0.041 0.000 1.050 274 K CA 1.558 57.874 56.287 0.048 0.000 0.935 274 K CB -0.131 32.405 32.500 0.060 0.000 0.715 274 K HN 0.190 nan 8.250 nan 0.000 0.439 275 S N 1.290 117.012 115.700 0.037 0.000 2.356 275 S HA -0.143 4.326 4.470 -0.000 0.000 0.223 275 S C 1.789 176.405 174.600 0.027 0.000 1.032 275 S CA 1.263 59.482 58.200 0.032 0.000 1.005 275 S CB -0.144 63.074 63.200 0.030 0.000 0.867 275 S HN 0.325 nan 8.310 nan 0.000 0.449 276 E N 0.496 120.711 120.200 0.025 0.000 2.106 276 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 276 E C 2.132 178.746 176.600 0.022 0.000 0.984 276 E CA 1.391 57.804 56.400 0.021 0.000 0.806 276 E CB -0.229 29.483 29.700 0.019 0.000 0.750 276 E HN 0.415 nan 8.360 nan 0.000 0.458 277 T N 1.298 115.868 114.554 0.026 0.000 2.746 277 T HA -0.110 4.239 4.350 -0.000 0.000 0.267 277 T C 1.982 176.697 174.700 0.026 0.000 1.039 277 T CA 0.857 62.973 62.100 0.026 0.000 1.142 277 T CB -0.134 68.752 68.868 0.031 0.000 0.866 277 T HN 0.095 nan 8.240 nan 0.000 0.444 278 I N 1.256 121.843 120.570 0.029 0.000 2.252 278 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 278 I C 2.896 179.027 176.117 0.024 0.000 1.102 278 I CA 1.006 62.323 61.300 0.028 0.000 1.385 278 I CB -0.416 37.603 38.000 0.032 0.000 1.064 278 I HN 0.185 nan 8.210 nan 0.000 0.414 279 A N 0.264 123.098 122.820 0.022 0.000 1.933 279 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 279 A C 2.362 179.956 177.584 0.017 0.000 1.175 279 A CA 2.350 54.398 52.037 0.019 0.000 0.628 279 A CB -1.031 17.980 19.000 0.018 0.000 0.814 279 A HN 0.390 nan 8.150 nan 0.000 0.444 280 T N 0.310 114.874 114.554 0.017 0.000 2.821 280 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 280 T C 1.763 176.471 174.700 0.015 0.000 1.046 280 T CA 1.405 63.514 62.100 0.015 0.000 1.139 280 T CB -0.295 68.582 68.868 0.015 0.000 0.871 280 T HN 0.362 nan 8.240 nan 0.000 0.454 281 L N 0.226 121.459 121.223 0.017 0.000 2.179 281 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 281 L C 2.229 179.108 176.870 0.015 0.000 1.096 281 L CA 0.784 55.634 54.840 0.016 0.000 0.779 281 L CB -0.379 41.691 42.059 0.019 0.000 0.922 281 L HN 0.226 nan 8.230 nan 0.000 0.443 282 L N -0.632 120.600 121.223 0.016 0.000 2.478 282 L HA -0.053 4.287 4.340 -0.000 0.000 0.223 282 L C 2.573 179.450 176.870 0.012 0.000 1.140 282 L CA 0.483 55.332 54.840 0.014 0.000 0.842 282 L CB -0.449 41.619 42.059 0.016 0.000 0.953 282 L HN 0.213 nan 8.230 nan 0.000 0.452 283 A N -0.215 122.612 122.820 0.012 0.000 1.975 283 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 283 A C 2.120 179.709 177.584 0.009 0.000 1.170 283 A CA 0.734 52.777 52.037 0.010 0.000 0.656 283 A CB -0.065 18.941 19.000 0.010 0.000 0.821 283 A HN 0.364 nan 8.150 nan 0.000 0.449 284 E N -0.714 119.492 120.200 0.010 0.000 2.051 284 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 284 E C -0.256 176.348 176.600 0.008 0.000 0.979 284 E CA 1.028 57.433 56.400 0.009 0.000 0.803 284 E CB 0.165 29.870 29.700 0.009 0.000 0.761 284 E HN 0.455 nan 8.360 nan 0.000 0.451 285 D N -0.402 120.003 120.400 0.009 0.000 2.375 285 D HA -0.002 4.638 4.640 -0.000 0.000 0.241 285 D C -0.206 176.100 176.300 0.010 0.000 1.361 285 D CA -0.199 53.806 54.000 0.009 0.000 0.995 285 D CB 0.826 41.631 40.800 0.008 0.000 1.312 285 D HN 0.100 nan 8.370 nan 0.000 0.576 286 E N 0.937 121.142 120.200 0.009 0.000 2.511 286 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 286 E C 0.796 177.402 176.600 0.009 0.000 1.066 286 E CA 0.570 56.976 56.400 0.010 0.000 0.871 286 E CB -0.120 29.586 29.700 0.009 0.000 0.863 286 E HN 0.335 nan 8.360 nan 0.000 0.520 287 T N -0.988 113.571 114.554 0.008 0.000 3.107 287 T HA 0.210 4.560 4.350 -0.000 0.000 0.249 287 T C 0.683 175.388 174.700 0.009 0.000 1.096 287 T CA -0.405 61.700 62.100 0.008 0.000 1.012 287 T CB -0.260 68.612 68.868 0.006 0.000 0.977 287 T HN 0.036 nan 8.240 nan 0.000 0.527 288 L N 2.265 123.495 121.223 0.011 0.000 2.416 288 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 288 L C 0.387 177.266 176.870 0.015 0.000 1.161 288 L CA -0.557 54.291 54.840 0.013 0.000 0.845 288 L CB 0.375 42.443 42.059 0.015 0.000 1.119 288 L HN 0.155 nan 8.230 nan 0.000 0.464 289 D N 1.847 122.257 120.400 0.016 0.000 2.339 289 D HA -0.019 4.621 4.640 -0.000 0.000 0.256 289 D C 0.887 177.202 176.300 0.024 0.000 1.214 289 D CA 0.200 54.211 54.000 0.019 0.000 0.877 289 D CB 1.027 41.838 40.800 0.018 0.000 1.111 289 D HN 0.530 nan 8.370 nan 0.000 0.478 290 E N 2.776 122.991 120.200 0.025 0.000 2.106 290 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 290 E C 1.050 177.672 176.600 0.036 0.000 0.984 290 E CA 0.655 57.073 56.400 0.030 0.000 0.806 290 E CB 0.217 29.934 29.700 0.029 0.000 0.750 290 E HN 0.423 nan 8.360 nan 0.000 0.458 291 N N 0.845 119.566 118.700 0.036 0.000 2.120 291 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 291 N C 1.582 177.119 175.510 0.046 0.000 1.024 291 N CA 1.082 54.157 53.050 0.042 0.000 0.852 291 N CB -0.241 38.270 38.487 0.039 0.000 1.003 291 N HN 0.293 nan 8.380 nan 0.000 0.424 292 E N 0.575 120.799 120.200 0.041 0.000 2.110 292 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 292 E C 1.898 178.526 176.600 0.047 0.000 0.988 292 E CA 0.574 56.999 56.400 0.043 0.000 0.804 292 E CB -0.017 29.703 29.700 0.033 0.000 0.745 292 E HN 0.283 nan 8.360 nan 0.000 0.458 293 L N -0.089 121.160 121.223 0.043 0.000 2.083 293 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 293 L C 2.596 179.501 176.870 0.058 0.000 1.083 293 L CA 1.166 56.033 54.840 0.045 0.000 0.752 293 L CB -0.583 41.499 42.059 0.038 0.000 0.899 293 L HN 0.275 nan 8.230 nan 0.000 0.433 294 G N -0.477 108.359 108.800 0.061 0.000 2.422 294 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.218 294 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.218 294 G C 1.443 176.401 174.900 0.097 0.000 1.140 294 G CA 0.419 45.564 45.100 0.074 0.000 0.775 294 G HN 0.409 nan 8.290 nan 0.000 0.545 295 E N -0.139 120.114 120.200 0.087 0.000 2.107 295 E HA 0.031 4.380 4.350 -0.000 0.000 0.191 295 E C 2.427 179.101 176.600 0.124 0.000 0.982 295 E CA 0.303 56.768 56.400 0.108 0.000 0.809 295 E CB -0.049 29.702 29.700 0.085 0.000 0.756 295 E HN 0.483 nan 8.360 nan 0.000 0.459 296 I N 0.829 121.453 120.570 0.089 0.000 2.315 296 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 296 I C 2.195 178.356 176.117 0.073 0.000 1.117 296 I CA 0.850 62.193 61.300 0.071 0.000 1.404 296 I CB -0.115 37.915 38.000 0.050 0.000 1.071 296 I HN 0.086 nan 8.210 nan 0.000 0.419 297 L N -0.066 121.209 121.223 0.087 0.000 2.083 297 L HA -0.257 4.083 4.340 -0.000 0.000 0.209 297 L C 2.695 179.628 176.870 0.106 0.000 1.083 297 L CA 1.487 56.379 54.840 0.087 0.000 0.752 297 L CB -0.691 41.423 42.059 0.092 0.000 0.899 297 L HN 0.319 nan 8.230 nan 0.000 0.433 298 H N -0.355 118.743 119.070 0.047 0.000 2.423 298 H HA -0.065 4.491 4.556 -0.000 0.000 0.297 298 H C 2.088 177.432 175.328 0.025 0.000 1.075 298 H CA 1.224 57.299 56.048 0.045 0.000 1.342 298 H CB 0.205 29.999 29.762 0.054 0.000 1.395 298 H HN 0.283 nan 8.280 nan 0.000 0.530 299 A N 0.332 123.176 122.820 0.040 0.000 1.930 299 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 299 A C 2.392 179.936 177.584 -0.066 0.000 1.175 299 A CA 1.361 53.389 52.037 -0.015 0.000 0.627 299 A CB -0.595 18.431 19.000 0.042 0.000 0.815 299 A HN 0.493 nan 8.150 nan 0.000 0.443 300 I N -0.512 120.032 120.570 -0.043 0.000 2.252 300 I HA -0.230 3.939 4.170 -0.000 0.000 0.245 300 I C 2.459 178.510 176.117 -0.110 0.000 1.102 300 I CA 1.368 62.639 61.300 -0.049 0.000 1.385 300 I CB -0.441 37.555 38.000 -0.007 0.000 1.064 300 I HN 0.393 nan 8.210 nan 0.000 0.414 301 E N 0.936 121.052 120.200 -0.141 0.000 2.049 301 E HA -0.311 4.038 4.350 -0.000 0.000 0.198 301 E C 2.184 178.537 176.600 -0.412 0.000 1.007 301 E CA 1.532 57.764 56.400 -0.281 0.000 0.809 301 E CB -0.114 29.460 29.700 -0.210 0.000 0.749 301 E HN 0.341 nan 8.360 nan 0.000 0.450 302 K N 0.680 120.864 120.400 -0.360 0.000 2.026 302 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 302 K C 2.059 178.539 176.600 -0.200 0.000 1.048 302 K CA 1.615 57.726 56.287 -0.293 0.000 0.929 302 K CB -0.082 32.264 32.500 -0.256 0.000 0.713 302 K HN -0.057 nan 8.250 nan 0.000 0.439 303 N N 0.071 118.679 118.700 -0.153 0.000 2.120 303 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 303 N C 1.554 176.996 175.510 -0.114 0.000 1.024 303 N CA 1.201 54.190 53.050 -0.103 0.000 0.852 303 N CB -0.024 38.422 38.487 -0.068 0.000 1.003 303 N HN -0.015 nan 8.380 nan 0.000 0.424 304 V N -0.317 119.507 119.914 -0.150 0.000 2.295 304 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 304 V C 2.234 178.231 176.094 -0.161 0.000 1.049 304 V CA 1.485 63.700 62.300 -0.141 0.000 1.024 304 V CB -0.454 31.281 31.823 -0.146 0.000 0.648 304 V HN 0.198 nan 8.190 nan 0.000 0.447 305 V N -0.360 119.400 119.914 -0.257 0.000 2.379 305 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 305 V C 2.529 178.553 176.094 -0.117 0.000 1.044 305 V CA 1.949 64.121 62.300 -0.213 0.000 1.036 305 V CB -0.756 30.882 31.823 -0.309 0.000 0.664 305 V HN 0.445 nan 8.190 nan 0.000 0.453 306 R N 0.910 121.344 120.500 -0.110 0.000 2.066 306 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 306 R C 2.625 178.896 176.300 -0.048 0.000 1.131 306 R CA 1.738 57.800 56.100 -0.065 0.000 0.955 306 R CB -0.559 29.707 30.300 -0.056 0.000 0.851 306 R HN 0.686 nan 8.270 nan 0.000 0.432 307 S N 0.559 116.228 115.700 -0.052 0.000 2.402 307 S HA -0.101 4.368 4.470 -0.000 0.000 0.229 307 S C 1.930 176.509 174.600 -0.035 0.000 1.021 307 S CA 0.696 58.873 58.200 -0.039 0.000 0.974 307 S CB -0.151 63.026 63.200 -0.037 0.000 0.800 307 S HN 0.245 nan 8.310 nan 0.000 0.484 308 R N 0.458 120.935 120.500 -0.039 0.000 2.115 308 R HA 0.078 4.418 4.340 -0.000 0.000 0.230 308 R C 2.198 178.483 176.300 -0.025 0.000 1.111 308 R CA 1.204 57.287 56.100 -0.029 0.000 0.976 308 R CB -0.532 29.752 30.300 -0.026 0.000 0.870 308 R HN 0.349 nan 8.270 nan 0.000 0.445 309 V N 1.191 121.088 119.914 -0.028 0.000 2.307 309 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 309 V C 2.174 178.252 176.094 -0.027 0.000 1.045 309 V CA 1.561 63.847 62.300 -0.023 0.000 1.024 309 V CB -0.298 31.513 31.823 -0.019 0.000 0.651 309 V HN 0.269 nan 8.190 nan 0.000 0.449 310 L N 0.193 121.399 121.223 -0.028 0.000 2.141 310 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 310 L C 2.539 179.387 176.870 -0.037 0.000 1.094 310 L CA 1.407 56.227 54.840 -0.033 0.000 0.763 310 L CB -0.646 41.397 42.059 -0.026 0.000 0.908 310 L HN 0.338 nan 8.230 nan 0.000 0.437 311 A N -0.444 122.358 122.820 -0.031 0.000 2.168 311 A HA 0.186 4.506 4.320 -0.000 0.000 0.215 311 A C 1.780 179.346 177.584 -0.029 0.000 1.152 311 A CA 0.897 52.917 52.037 -0.028 0.000 0.716 311 A CB -0.529 18.457 19.000 -0.023 0.000 0.794 311 A HN 0.529 nan 8.150 nan 0.000 0.465 312 G N -0.657 108.125 108.800 -0.031 0.000 2.132 312 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.228 312 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.228 312 G C -0.146 174.741 174.900 -0.022 0.000 1.000 312 G CA 0.325 45.407 45.100 -0.030 0.000 0.693 312 G HN 0.624 nan 8.290 nan 0.000 0.515 313 E N 0.541 120.731 120.200 -0.017 0.000 2.345 313 E HA 0.419 4.768 4.350 -0.000 0.000 0.259 313 E C -2.044 174.552 176.600 -0.007 0.000 1.117 313 E CA -1.721 54.673 56.400 -0.011 0.000 0.913 313 E CB 0.623 30.318 29.700 -0.008 0.000 1.057 313 E HN 0.160 nan 8.360 nan 0.000 0.432 314 P HA 0.009 nan 4.420 nan 0.000 0.266 314 P C -0.589 176.717 177.300 0.009 0.000 1.195 314 P CA 0.309 63.411 63.100 0.003 0.000 0.768 314 P CB 0.537 32.240 31.700 0.006 0.000 0.838 315 R N 1.544 122.051 120.500 0.012 0.000 2.840 315 R HA 0.154 4.494 4.340 -0.000 0.000 0.282 315 R C 1.827 178.149 176.300 0.037 0.000 1.133 315 R CA -0.368 55.745 56.100 0.022 0.000 1.208 315 R CB -0.169 30.145 30.300 0.022 0.000 1.160 315 R HN 0.414 nan 8.270 nan 0.000 0.576 316 I N 0.871 121.474 120.570 0.056 0.000 2.185 316 I HA -0.333 3.837 4.170 -0.000 0.000 0.246 316 I C 1.515 177.667 176.117 0.058 0.000 1.088 316 I CA 1.709 63.057 61.300 0.081 0.000 1.347 316 I CB -0.439 37.636 38.000 0.125 0.000 1.041 316 I HN 0.693 nan 8.210 nan 0.000 0.415 317 D N 0.048 120.477 120.400 0.049 0.000 2.340 317 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 317 D C 1.518 177.835 176.300 0.028 0.000 1.039 317 D CA 0.769 54.792 54.000 0.039 0.000 0.866 317 D CB 0.166 40.992 40.800 0.042 0.000 0.913 317 D HN 0.423 nan 8.370 nan 0.000 0.523 318 G N 0.139 108.954 108.800 0.026 0.000 2.176 318 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.232 318 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.232 318 G C 0.359 175.267 174.900 0.012 0.000 0.986 318 G CA -0.221 44.890 45.100 0.017 0.000 0.643 318 G HN 0.417 nan 8.290 nan 0.000 0.522 319 R N 0.732 121.240 120.500 0.015 0.000 2.679 319 R HA 0.430 4.770 4.340 -0.000 0.000 0.269 319 R C 0.347 176.649 176.300 0.003 0.000 1.076 319 R CA -0.263 55.843 56.100 0.009 0.000 1.160 319 R CB 0.443 30.751 30.300 0.014 0.000 1.054 319 R HN 0.291 nan 8.270 nan 0.000 0.507 320 E N 1.720 121.918 120.200 -0.004 0.000 2.342 320 E HA -0.008 4.342 4.350 -0.000 0.000 0.257 320 E C 0.850 177.445 176.600 -0.009 0.000 1.150 320 E CA -0.139 56.255 56.400 -0.009 0.000 0.926 320 E CB 0.755 30.445 29.700 -0.015 0.000 1.074 320 E HN 0.496 nan 8.360 nan 0.000 0.449 321 K N 0.410 120.802 120.400 -0.013 0.000 2.160 321 K HA -0.189 4.130 4.320 -0.000 0.000 0.206 321 K C 0.533 177.128 176.600 -0.009 0.000 1.047 321 K CA 2.030 58.310 56.287 -0.011 0.000 0.930 321 K CB -0.038 32.450 32.500 -0.019 0.000 0.720 321 K HN 0.278 nan 8.250 nan 0.000 0.450 322 D N -0.111 120.280 120.400 -0.015 0.000 2.462 322 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 322 D C 0.060 176.346 176.300 -0.023 0.000 1.173 322 D CA -0.227 53.763 54.000 -0.016 0.000 0.831 322 D CB -0.031 40.756 40.800 -0.022 0.000 1.001 322 D HN 0.173 nan 8.370 nan 0.000 0.499 323 M N 0.927 120.516 119.600 -0.019 0.000 2.216 323 M HA 0.278 4.758 4.480 -0.000 0.000 0.356 323 M C -0.274 176.025 176.300 -0.001 0.000 1.205 323 M CA -0.557 54.727 55.300 -0.027 0.000 1.122 323 M CB 1.781 34.369 32.600 -0.020 0.000 1.571 323 M HN -0.181 nan 8.290 nan 0.000 0.464 324 I N 2.651 123.219 120.570 -0.002 0.000 2.488 324 I HA 0.381 4.551 4.170 -0.000 0.000 0.299 324 I C 0.642 176.800 176.117 0.069 0.000 0.984 324 I CA -0.497 60.841 61.300 0.064 0.000 1.250 324 I CB 0.921 39.014 38.000 0.155 0.000 1.389 324 I HN 0.708 nan 8.210 nan 0.000 0.488 325 R N 1.995 122.539 120.500 0.074 0.000 2.774 325 R HA 0.301 4.640 4.340 -0.000 0.000 0.269 325 R C 0.565 176.899 176.300 0.057 0.000 1.068 325 R CA -0.223 55.910 56.100 0.054 0.000 1.180 325 R CB 0.246 30.572 30.300 0.044 0.000 1.077 325 R HN 0.870 nan 8.270 nan 0.000 0.513 326 G N 1.071 109.888 108.800 0.028 0.000 2.414 326 G HA2 0.237 4.197 3.960 -0.000 0.000 0.236 326 G HA3 0.237 4.197 3.960 -0.000 0.000 0.236 326 G C -0.476 174.400 174.900 -0.040 0.000 1.293 326 G CA -0.361 44.747 45.100 0.012 0.000 0.869 326 G HN 0.270 nan 8.290 nan 0.000 0.556 327 L N 1.501 122.689 121.223 -0.058 0.000 2.346 327 L HA 0.519 4.858 4.340 -0.000 0.000 0.274 327 L C -0.452 176.322 176.870 -0.160 0.000 1.007 327 L CA -0.819 53.923 54.840 -0.163 0.000 0.818 327 L CB 2.376 44.352 42.059 -0.139 0.000 1.284 327 L HN 0.442 nan 8.230 nan 0.000 0.424 328 D N 1.955 122.205 120.400 -0.250 0.000 2.736 328 D HA 0.399 5.039 4.640 -0.000 0.000 0.243 328 D C -1.703 174.493 176.300 -0.172 0.000 1.304 328 D CA -0.182 53.721 54.000 -0.162 0.000 0.934 328 D CB 2.661 43.389 40.800 -0.119 0.000 1.382 328 D HN 0.130 nan 8.370 nan 0.000 0.571 329 V N 4.612 124.489 119.914 -0.061 0.000 2.448 329 V HA 0.577 4.697 4.120 -0.000 0.000 0.295 329 V C 0.059 176.177 176.094 0.040 0.000 1.025 329 V CA -0.570 61.752 62.300 0.036 0.000 0.859 329 V CB 1.850 33.734 31.823 0.102 0.000 0.988 329 V HN 0.427 nan 8.190 nan 0.000 0.431 330 R N 2.141 122.678 120.500 0.062 0.000 2.744 330 R HA 0.785 5.125 4.340 -0.000 0.000 0.279 330 R C -1.026 175.306 176.300 0.053 0.000 0.977 330 R CA -0.628 55.498 56.100 0.044 0.000 0.906 330 R CB 2.586 32.903 30.300 0.027 0.000 1.197 330 R HN 0.668 nan 8.270 nan 0.000 0.463 331 T N 0.061 114.638 114.554 0.038 0.000 2.893 331 T HA 0.481 4.830 4.350 -0.000 0.000 0.293 331 T C -0.007 174.708 174.700 0.025 0.000 1.027 331 T CA 0.074 62.194 62.100 0.034 0.000 0.988 331 T CB 1.753 70.639 68.868 0.030 0.000 1.043 331 T HN 0.828 nan 8.240 nan 0.000 0.461 332 G N 1.659 110.474 108.800 0.024 0.000 2.298 332 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.287 332 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.287 332 G C 0.717 175.627 174.900 0.017 0.000 1.075 332 G CA 0.272 45.384 45.100 0.020 0.000 0.960 332 G HN 0.672 nan 8.290 nan 0.000 0.502 333 V N -0.484 119.441 119.914 0.018 0.000 3.052 333 V HA 0.247 4.367 4.120 -0.000 0.000 0.254 333 V C 1.457 177.556 176.094 0.009 0.000 1.100 333 V CA 1.447 63.755 62.300 0.014 0.000 1.112 333 V CB 0.004 31.838 31.823 0.018 0.000 0.738 333 V HN 0.480 nan 8.190 nan 0.000 0.469 334 L N 1.071 122.299 121.223 0.009 0.000 2.341 334 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 334 L C -1.187 175.686 176.870 0.005 0.000 1.005 334 L CA -1.500 53.341 54.840 0.003 0.000 0.818 334 L CB 1.769 43.827 42.059 -0.002 0.000 1.259 334 L HN -0.003 nan 8.230 nan 0.000 0.418 335 P HA -0.090 nan 4.420 nan 0.000 0.215 335 P C 1.003 178.309 177.300 0.011 0.000 1.157 335 P CA 1.058 64.162 63.100 0.007 0.000 0.859 335 P CB 0.314 32.016 31.700 0.003 0.000 0.786 336 R N -0.928 119.573 120.500 0.002 0.000 2.334 336 R HA 0.189 4.528 4.340 -0.000 0.000 0.216 336 R C 0.996 177.289 176.300 -0.012 0.000 0.905 336 R CA 0.180 56.281 56.100 0.002 0.000 1.064 336 R CB -0.888 29.407 30.300 -0.009 0.000 1.046 336 R HN 0.202 nan 8.270 nan 0.000 0.508 337 T N -0.613 113.931 114.554 -0.018 0.000 2.904 337 T HA 0.101 4.451 4.350 -0.000 0.000 0.290 337 T C 1.269 175.993 174.700 0.040 0.000 1.018 337 T CA -0.159 61.911 62.100 -0.050 0.000 1.075 337 T CB 0.944 69.789 68.868 -0.038 0.000 0.986 337 T HN 0.321 nan 8.240 nan 0.000 0.523 338 H N 1.632 120.699 119.070 -0.005 0.000 2.357 338 H HA 0.191 4.747 4.556 -0.001 0.000 0.301 338 H C 1.168 176.492 175.328 -0.006 0.000 1.082 338 H CA 0.159 56.202 56.048 -0.007 0.000 1.342 338 H CB 0.288 30.046 29.762 -0.008 0.000 1.389 338 H HN 0.626 nan 8.280 nan 0.000 0.511 339 G N -0.229 108.641 108.800 0.117 0.000 2.753 339 G HA2 0.435 4.394 3.960 -0.000 0.000 0.295 339 G HA3 0.435 4.394 3.960 -0.000 0.000 0.295 339 G C -1.266 173.654 174.900 0.033 0.000 1.437 339 G CA -0.446 44.690 45.100 0.060 0.000 1.094 339 G HN 0.261 nan 8.290 nan 0.000 0.540 340 S N -0.166 115.550 115.700 0.027 0.000 2.569 340 S HA 0.946 5.416 4.470 -0.000 0.000 0.280 340 S C -0.451 174.168 174.600 0.032 0.000 1.111 340 S CA -0.401 57.812 58.200 0.022 0.000 0.887 340 S CB 2.335 65.545 63.200 0.017 0.000 1.095 340 S HN 2.175 nan 8.310 nan 0.000 0.476 341 A N 0.938 123.783 122.820 0.041 0.000 2.547 341 A HA 0.773 5.092 4.320 -0.000 0.000 0.297 341 A C -1.782 175.851 177.584 0.083 0.000 1.056 341 A CA -0.644 51.432 52.037 0.064 0.000 0.688 341 A CB 1.561 20.607 19.000 0.076 0.000 1.282 341 A HN 1.117 nan 8.150 nan 0.000 0.400 342 L N 1.974 123.253 121.223 0.093 0.000 2.316 342 L HA 0.733 5.073 4.340 -0.000 0.000 0.280 342 L C -1.462 175.498 176.870 0.150 0.000 1.006 342 L CA -0.352 54.549 54.840 0.101 0.000 0.836 342 L CB 0.826 42.916 42.059 0.051 0.000 1.221 342 L HN 0.635 nan 8.230 nan 0.000 0.418 343 F N 3.886 123.853 119.950 0.027 0.000 2.411 343 F HA 0.667 5.194 4.527 -0.001 0.000 0.352 343 F C -0.373 175.445 175.800 0.031 0.000 1.123 343 F CA -0.122 57.896 58.000 0.030 0.000 1.044 343 F CB 1.468 40.493 39.000 0.042 0.000 1.135 343 F HN 0.443 nan 8.300 nan 0.000 0.461 344 T N 6.700 120.908 114.554 -0.576 0.000 2.815 344 T HA 0.362 4.712 4.350 -0.000 0.000 0.289 344 T C -0.689 173.666 174.700 -0.575 0.000 1.000 344 T CA -0.673 61.190 62.100 -0.396 0.000 0.958 344 T CB 1.123 69.872 68.868 -0.197 0.000 0.944 344 T HN 0.635 nan 8.240 nan 0.000 0.442 345 R N 2.642 122.936 120.500 -0.344 0.000 2.363 345 R HA 0.541 4.881 4.340 -0.000 0.000 0.297 345 R C 0.938 177.212 176.300 -0.044 0.000 1.208 345 R CA 0.333 56.326 56.100 -0.178 0.000 1.121 345 R CB -0.211 30.076 30.300 -0.022 0.000 1.124 345 R HN 0.965 nan 8.270 nan 0.000 0.561 346 G N 3.277 112.050 108.800 -0.044 0.000 2.536 346 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.277 346 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.277 346 G C 0.136 175.035 174.900 -0.002 0.000 1.155 346 G CA 0.299 45.395 45.100 -0.005 0.000 0.960 346 G HN 0.638 nan 8.290 nan 0.000 0.544 347 E N 1.206 121.420 120.200 0.023 0.000 2.370 347 E HA 0.399 4.749 4.350 -0.000 0.000 0.194 347 E C -0.234 176.387 176.600 0.036 0.000 1.057 347 E CA 0.329 56.744 56.400 0.026 0.000 1.011 347 E CB 0.567 30.290 29.700 0.039 0.000 1.132 347 E HN 0.306 nan 8.360 nan 0.000 0.450 348 T N 0.872 115.450 114.554 0.040 0.000 2.812 348 T HA 0.337 4.687 4.350 -0.000 0.000 0.282 348 T C -0.821 173.916 174.700 0.062 0.000 0.990 348 T CA -0.588 61.554 62.100 0.071 0.000 0.960 348 T CB 1.795 70.734 68.868 0.117 0.000 0.948 348 T HN 0.006 nan 8.240 nan 0.000 0.438 349 Q N 1.507 121.345 119.800 0.064 0.000 2.331 349 Q HA 0.719 5.059 4.340 -0.000 0.000 0.272 349 Q C -1.949 174.106 176.000 0.091 0.000 1.062 349 Q CA -0.881 54.962 55.803 0.066 0.000 0.806 349 Q CB 2.002 30.755 28.738 0.024 0.000 1.312 349 Q HN 0.787 nan 8.270 nan 0.000 0.431 350 A N 3.535 126.444 122.820 0.148 0.000 2.385 350 A HA 0.500 4.819 4.320 -0.000 0.000 0.290 350 A C -1.722 175.933 177.584 0.118 0.000 1.094 350 A CA -0.563 51.553 52.037 0.132 0.000 0.729 350 A CB 1.028 20.142 19.000 0.190 0.000 1.194 350 A HN 0.631 nan 8.150 nan 0.000 0.442 351 L N 4.166 125.429 121.223 0.067 0.000 2.295 351 L HA 0.595 4.935 4.340 -0.000 0.000 0.288 351 L C -0.890 176.003 176.870 0.039 0.000 1.079 351 L CA 0.143 55.016 54.840 0.054 0.000 0.830 351 L CB 0.842 42.923 42.059 0.037 0.000 1.200 351 L HN 0.406 nan 8.230 nan 0.000 0.438 352 V N 3.885 123.826 119.914 0.044 0.000 2.495 352 V HA 0.664 4.783 4.120 -0.000 0.000 0.298 352 V C 0.241 176.331 176.094 -0.007 0.000 1.031 352 V CA -0.343 61.965 62.300 0.014 0.000 0.871 352 V CB 1.826 33.669 31.823 0.034 0.000 0.988 352 V HN 0.851 nan 8.190 nan 0.000 0.432 353 T N 1.356 115.885 114.554 -0.041 0.000 2.932 353 T HA 0.907 5.256 4.350 -0.000 0.000 0.289 353 T C -0.431 174.236 174.700 -0.054 0.000 1.039 353 T CA -0.682 61.396 62.100 -0.036 0.000 1.024 353 T CB 2.154 70.999 68.868 -0.039 0.000 1.090 353 T HN 1.094 nan 8.240 nan 0.000 0.496 354 A N 1.452 124.263 122.820 -0.015 0.000 2.371 354 A HA 0.765 5.085 4.320 -0.000 0.000 0.311 354 A C -0.239 177.379 177.584 0.057 0.000 1.068 354 A CA -0.831 51.216 52.037 0.015 0.000 0.744 354 A CB 1.437 20.464 19.000 0.045 0.000 1.239 354 A HN 0.886 nan 8.150 nan 0.000 0.435 355 T N 2.832 117.429 114.554 0.073 0.000 2.848 355 T HA 0.548 4.897 4.350 -0.000 0.000 0.285 355 T C -0.468 174.372 174.700 0.234 0.000 0.995 355 T CA -0.274 61.899 62.100 0.121 0.000 0.970 355 T CB 0.870 69.718 68.868 -0.034 0.000 0.976 355 T HN 0.491 nan 8.240 nan 0.000 0.441 356 L N 2.360 123.832 121.223 0.415 0.000 2.325 356 L HA 0.829 5.168 4.340 -0.000 0.000 0.279 356 L C 0.865 177.835 176.870 0.168 0.000 1.054 356 L CA -0.466 54.485 54.840 0.186 0.000 0.804 356 L CB 1.248 43.270 42.059 -0.060 0.000 1.200 356 L HN 0.831 nan 8.230 nan 0.000 0.436 357 G N 1.124 110.011 108.800 0.144 0.000 2.975 357 G HA2 0.684 4.644 3.960 -0.000 0.000 0.291 357 G HA3 0.684 4.644 3.960 -0.000 0.000 0.291 357 G C -1.093 173.908 174.900 0.168 0.000 1.334 357 G CA -0.270 44.913 45.100 0.139 0.000 0.843 357 G HN 0.431 nan 8.290 nan 0.000 0.548 358 T N -0.515 114.108 114.554 0.115 0.000 2.919 358 T HA 0.531 4.881 4.350 -0.000 0.000 0.282 358 T C 1.734 176.462 174.700 0.047 0.000 1.020 358 T CA 0.392 62.541 62.100 0.081 0.000 0.994 358 T CB 1.435 70.338 68.868 0.058 0.000 1.180 358 T HN 0.854 nan 8.240 nan 0.000 0.566 359 A N 0.397 123.224 122.820 0.011 0.000 2.024 359 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 359 A C 2.450 180.046 177.584 0.021 0.000 1.164 359 A CA 1.307 53.348 52.037 0.007 0.000 0.643 359 A CB -0.553 18.439 19.000 -0.014 0.000 0.806 359 A HN 0.490 nan 8.150 nan 0.000 0.451 360 R N -0.009 120.505 120.500 0.024 0.000 2.152 360 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 360 R C 1.329 177.651 176.300 0.036 0.000 1.117 360 R CA 1.421 57.537 56.100 0.027 0.000 0.981 360 R CB -1.020 29.295 30.300 0.025 0.000 0.870 360 R HN 0.762 nan 8.270 nan 0.000 0.451 361 D N 0.003 120.431 120.400 0.047 0.000 2.333 361 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 361 D C 0.614 176.951 176.300 0.061 0.000 0.984 361 D CA 0.516 54.549 54.000 0.056 0.000 0.873 361 D CB -0.155 40.686 40.800 0.069 0.000 0.935 361 D HN 0.380 nan 8.370 nan 0.000 0.521 362 A N 1.290 124.145 122.820 0.058 0.000 2.520 362 A HA 0.021 4.341 4.320 -0.000 0.000 0.245 362 A C 0.537 178.155 177.584 0.056 0.000 1.072 362 A CA -0.007 52.067 52.037 0.062 0.000 0.761 362 A CB 0.211 19.244 19.000 0.054 0.000 1.004 362 A HN 0.074 nan 8.150 nan 0.000 0.499 363 Q N 1.944 121.782 119.800 0.063 0.000 2.304 363 Q HA 0.385 4.725 4.340 -0.000 0.000 0.260 363 Q C -0.986 175.045 176.000 0.052 0.000 0.965 363 Q CA -0.243 55.596 55.803 0.060 0.000 0.898 363 Q CB 0.672 29.452 28.738 0.071 0.000 1.196 363 Q HN 0.538 nan 8.270 nan 0.000 0.402 364 V N 6.427 126.369 119.914 0.046 0.000 2.364 364 V HA 0.242 4.362 4.120 -0.000 0.000 0.272 364 V C -0.073 176.046 176.094 0.041 0.000 1.036 364 V CA -0.410 61.914 62.300 0.040 0.000 0.880 364 V CB 0.847 32.690 31.823 0.033 0.000 0.991 364 V HN 0.683 nan 8.190 nan 0.000 0.460 365 L N 4.202 125.450 121.223 0.041 0.000 2.265 365 L HA 0.428 4.767 4.340 -0.000 0.000 0.289 365 L C 0.269 177.160 176.870 0.035 0.000 1.033 365 L CA -0.386 54.479 54.840 0.041 0.000 0.814 365 L CB 1.207 43.293 42.059 0.044 0.000 1.203 365 L HN 0.522 nan 8.230 nan 0.000 0.423 366 D N 3.532 123.952 120.400 0.033 0.000 2.845 366 D HA 0.071 4.711 4.640 -0.000 0.000 0.235 366 D C 0.203 176.519 176.300 0.026 0.000 1.158 366 D CA -0.070 53.947 54.000 0.028 0.000 0.990 366 D CB 0.152 40.969 40.800 0.028 0.000 1.094 366 D HN 0.433 nan 8.370 nan 0.000 0.486 367 E N 0.354 120.571 120.200 0.029 0.000 2.373 367 E HA 0.041 4.391 4.350 -0.000 0.000 0.263 367 E C 1.082 177.696 176.600 0.023 0.000 1.073 367 E CA -0.584 55.834 56.400 0.030 0.000 0.894 367 E CB 1.567 31.288 29.700 0.035 0.000 1.008 367 E HN 0.207 nan 8.360 nan 0.000 0.420 368 L N 2.764 124.000 121.223 0.022 0.000 2.131 368 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 368 L C 1.771 178.650 176.870 0.015 0.000 1.092 368 L CA 1.789 56.635 54.840 0.010 0.000 0.759 368 L CB -0.036 42.026 42.059 0.004 0.000 0.903 368 L HN 0.660 nan 8.230 nan 0.000 0.435 369 M N -1.116 118.498 119.600 0.024 0.000 2.618 369 M HA 0.290 4.770 4.480 -0.000 0.000 0.240 369 M C 0.588 176.901 176.300 0.022 0.000 1.123 369 M CA 0.625 55.939 55.300 0.023 0.000 1.060 369 M CB -0.347 32.269 32.600 0.027 0.000 1.535 369 M HN 0.339 nan 8.290 nan 0.000 0.507 370 G N 1.171 109.984 108.800 0.021 0.000 2.306 370 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.340 370 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.340 370 G C -1.368 173.546 174.900 0.023 0.000 1.630 370 G CA -0.952 44.160 45.100 0.021 0.000 0.937 370 G HN 0.255 nan 8.290 nan 0.000 0.693 371 E N 0.520 120.733 120.200 0.022 0.000 2.392 371 E HA 0.528 4.878 4.350 -0.000 0.000 0.264 371 E C 0.258 176.874 176.600 0.026 0.000 1.024 371 E CA -0.143 56.272 56.400 0.024 0.000 0.903 371 E CB 0.685 30.398 29.700 0.022 0.000 0.963 371 E HN 0.588 nan 8.360 nan 0.000 0.432 372 R N 1.733 122.251 120.500 0.030 0.000 2.566 372 R HA 0.196 4.536 4.340 -0.000 0.000 0.271 372 R C -1.532 174.791 176.300 0.038 0.000 1.071 372 R CA -0.491 55.630 56.100 0.034 0.000 0.915 372 R CB 1.659 31.981 30.300 0.037 0.000 1.228 372 R HN 0.660 nan 8.270 nan 0.000 0.449 373 T N -0.225 114.353 114.554 0.039 0.000 2.758 373 T HA 0.288 4.638 4.350 -0.000 0.000 0.285 373 T C -0.490 174.244 174.700 0.056 0.000 0.981 373 T CA -0.807 61.320 62.100 0.044 0.000 0.965 373 T CB 1.396 70.286 68.868 0.037 0.000 0.927 373 T HN 0.361 nan 8.240 nan 0.000 0.448 374 D N 1.974 122.413 120.400 0.064 0.000 2.232 374 D HA 0.317 4.957 4.640 -0.000 0.000 0.242 374 D C 0.703 177.063 176.300 0.100 0.000 1.093 374 D CA -0.308 53.742 54.000 0.083 0.000 0.845 374 D CB 2.048 42.893 40.800 0.074 0.000 1.124 374 D HN 0.663 nan 8.370 nan 0.000 0.467 375 T N 3.071 117.705 114.554 0.134 0.000 3.022 375 T HA 0.124 4.474 4.350 -0.000 0.000 0.250 375 T C -0.257 174.598 174.700 0.258 0.000 1.060 375 T CA -0.167 62.027 62.100 0.157 0.000 1.013 375 T CB -0.091 68.854 68.868 0.128 0.000 0.982 375 T HN 0.253 nan 8.240 nan 0.000 0.508 376 F N 2.651 122.641 119.950 0.068 0.000 2.427 376 F HA 0.644 5.170 4.527 -0.001 0.000 0.348 376 F C -1.446 174.384 175.800 0.051 0.000 1.125 376 F CA -2.264 55.779 58.000 0.072 0.000 0.989 376 F CB 0.843 39.895 39.000 0.087 0.000 1.165 376 F HN -0.100 nan 8.300 nan 0.000 0.442 377 L N 6.955 128.005 121.223 -0.289 0.000 2.341 377 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 377 L C -1.359 175.115 176.870 -0.660 0.000 1.005 377 L CA -0.772 53.805 54.840 -0.439 0.000 0.818 377 L CB 2.249 44.130 42.059 -0.297 0.000 1.259 377 L HN 0.599 nan 8.230 nan 0.000 0.418 378 F N 2.768 122.271 119.950 -0.746 0.000 2.553 378 F HA 0.477 5.004 4.527 0.000 0.000 0.335 378 F C -0.443 175.159 175.800 -0.331 0.000 1.148 378 F CA -0.512 57.172 58.000 -0.527 0.000 0.963 378 F CB 0.897 39.628 39.000 -0.449 0.000 1.217 378 F HN 0.453 nan 8.300 nan 0.000 0.441 379 H N 4.911 124.048 119.070 0.112 0.000 2.492 379 H HA 0.267 4.823 4.556 -0.001 0.000 0.345 379 H C -1.623 173.877 175.328 0.286 0.000 1.136 379 H CA -0.745 55.411 56.048 0.180 0.000 1.202 379 H CB 2.015 31.813 29.762 0.059 0.000 1.524 379 H HN 0.698 nan 8.280 nan 0.000 0.506 380 Y N 2.906 123.388 120.300 0.304 0.000 2.326 380 Y HA 0.304 4.853 4.550 -0.000 0.000 0.329 380 Y C -1.269 174.740 175.900 0.182 0.000 0.973 380 Y CA -0.714 57.542 58.100 0.260 0.000 1.162 380 Y CB 0.964 39.595 38.460 0.285 0.000 1.147 380 Y HN 0.480 nan 8.280 nan 0.000 0.456 381 N N 6.458 125.051 118.700 -0.179 0.000 2.372 381 N HA 0.265 5.005 4.740 -0.000 0.000 0.291 381 N C -1.851 173.475 175.510 -0.306 0.000 1.024 381 N CA -0.392 52.564 53.050 -0.156 0.000 0.873 381 N CB 1.767 40.204 38.487 -0.083 0.000 1.206 381 N HN 0.723 nan 8.380 nan 0.000 0.486 382 F N 4.091 123.860 119.950 -0.303 0.000 2.453 382 F HA 0.364 4.891 4.527 -0.000 0.000 0.358 382 F C -2.087 173.579 175.800 -0.223 0.000 1.129 382 F CA -1.767 56.073 58.000 -0.267 0.000 1.200 382 F CB 0.928 39.871 39.000 -0.095 0.000 1.431 382 F HN 0.276 nan 8.300 nan 0.000 0.503 383 P HA 0.177 nan 4.420 nan 0.000 0.274 383 P C -2.318 174.701 177.300 -0.469 0.000 1.231 383 P CA -1.267 61.578 63.100 -0.425 0.000 0.790 383 P CB 0.722 32.010 31.700 -0.687 0.000 0.951 384 P HA -0.150 nan 4.420 nan 0.000 0.222 384 P C 1.439 178.668 177.300 -0.119 0.000 1.147 384 P CA 1.379 64.419 63.100 -0.099 0.000 0.790 384 P CB -0.449 31.249 31.700 -0.004 0.000 0.780 385 Y N 0.309 120.550 120.300 -0.099 0.000 2.509 385 Y HA -0.038 4.512 4.550 -0.000 0.000 0.293 385 Y C 2.263 178.078 175.900 -0.141 0.000 1.133 385 Y CA 0.823 58.863 58.100 -0.100 0.000 1.283 385 Y CB -1.633 36.776 38.460 -0.083 0.000 1.001 385 Y HN -0.049 nan 8.280 nan 0.000 0.555 386 S N 0.864 116.283 115.700 -0.469 0.000 2.419 386 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 386 S C 1.369 175.834 174.600 -0.225 0.000 1.016 386 S CA 1.074 59.024 58.200 -0.416 0.000 0.974 386 S CB -0.977 61.721 63.200 -0.836 0.000 0.786 386 S HN 0.579 nan 8.310 nan 0.000 0.492 387 V N -2.952 116.860 119.914 -0.169 0.000 3.085 387 V HA 0.749 4.869 4.120 -0.000 0.000 0.345 387 V C 1.070 177.120 176.094 -0.074 0.000 1.397 387 V CA -0.324 61.927 62.300 -0.082 0.000 1.165 387 V CB -0.774 31.054 31.823 0.009 0.000 1.153 387 V HN 0.703 nan 8.190 nan 0.000 0.495 388 G N 0.374 109.151 108.800 -0.038 0.000 2.246 388 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.273 388 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.273 388 G C -0.164 174.732 174.900 -0.008 0.000 1.055 388 G CA 0.718 45.808 45.100 -0.016 0.000 0.851 388 G HN 0.718 nan 8.290 nan 0.000 0.500 389 E N -0.648 119.555 120.200 0.005 0.000 2.359 389 E HA 0.686 5.036 4.350 -0.000 0.000 0.266 389 E C 0.324 176.941 176.600 0.028 0.000 0.920 389 E CA -0.375 56.032 56.400 0.012 0.000 0.788 389 E CB 1.557 31.263 29.700 0.010 0.000 1.279 389 E HN 0.347 nan 8.360 nan 0.000 0.438 390 T N -1.628 112.940 114.554 0.024 0.000 2.925 390 T HA 0.845 5.195 4.350 -0.000 0.000 0.285 390 T C 0.230 174.943 174.700 0.022 0.000 1.021 390 T CA -0.462 61.654 62.100 0.027 0.000 1.042 390 T CB 1.667 70.548 68.868 0.021 0.000 1.037 390 T HN 0.664 nan 8.240 nan 0.000 0.481 391 G N 1.378 110.191 108.800 0.023 0.000 2.328 391 G HA2 0.429 4.389 3.960 -0.000 0.000 0.295 391 G HA3 0.429 4.389 3.960 -0.000 0.000 0.295 391 G C -0.968 173.942 174.900 0.017 0.000 1.413 391 G CA -1.198 43.912 45.100 0.017 0.000 0.817 391 G HN 0.755 nan 8.290 nan 0.000 0.546 392 M N 0.233 119.840 119.600 0.012 0.000 2.250 392 M HA 0.178 4.658 4.480 -0.000 0.000 0.337 392 M C 0.597 176.904 176.300 0.013 0.000 1.161 392 M CA 0.199 55.505 55.300 0.010 0.000 1.088 392 M CB 0.945 33.547 32.600 0.005 0.000 1.639 392 M HN 0.245 nan 8.290 nan 0.000 0.447 393 V N 3.816 123.738 119.914 0.012 0.000 2.759 393 V HA 0.241 4.361 4.120 -0.000 0.000 0.342 393 V C 1.065 177.163 176.094 0.007 0.000 1.228 393 V CA -0.082 62.226 62.300 0.012 0.000 1.302 393 V CB 0.109 31.945 31.823 0.021 0.000 1.496 393 V HN 1.101 nan 8.190 nan 0.000 0.628 394 G N 1.393 110.196 108.800 0.004 0.000 3.056 394 G HA2 0.195 4.154 3.960 -0.000 0.000 0.175 394 G HA3 0.195 4.154 3.960 -0.000 0.000 0.175 394 G C 0.566 175.464 174.900 -0.003 0.000 1.894 394 G CA 0.711 45.812 45.100 0.000 0.000 0.910 394 G HN 0.628 nan 8.290 nan 0.000 0.462 395 S N 0.195 115.892 115.700 -0.004 0.000 2.745 395 S HA 0.645 5.115 4.470 -0.000 0.000 0.292 395 S C -2.865 171.733 174.600 -0.003 0.000 1.133 395 S CA -1.181 57.014 58.200 -0.009 0.000 0.998 395 S CB 1.401 64.594 63.200 -0.011 0.000 1.087 395 S HN 0.226 nan 8.310 nan 0.000 0.551 396 P HA 0.259 nan 4.420 nan 0.000 0.265 396 P C -0.631 176.672 177.300 0.005 0.000 1.193 396 P CA -0.060 63.048 63.100 0.013 0.000 0.765 396 P CB 0.266 31.973 31.700 0.011 0.000 0.823 397 K N 1.778 122.182 120.400 0.005 0.000 2.210 397 K HA 0.378 4.698 4.320 -0.000 0.000 0.236 397 K C 1.411 177.983 176.600 -0.047 0.000 1.016 397 K CA -0.753 55.521 56.287 -0.022 0.000 0.913 397 K CB 0.988 33.471 32.500 -0.029 0.000 1.141 397 K HN 0.173 nan 8.250 nan 0.000 0.462 398 R N 0.993 121.454 120.500 -0.065 0.000 2.127 398 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 398 R C 2.057 178.275 176.300 -0.136 0.000 1.134 398 R CA 1.817 57.870 56.100 -0.078 0.000 0.975 398 R CB -0.099 30.158 30.300 -0.071 0.000 0.865 398 R HN 0.526 nan 8.270 nan 0.000 0.447 399 R N -0.217 120.163 120.500 -0.200 0.000 2.223 399 R HA 0.062 4.402 4.340 -0.000 0.000 0.198 399 R C 1.367 177.388 176.300 -0.465 0.000 0.984 399 R CA 0.587 56.449 56.100 -0.398 0.000 1.018 399 R CB -0.076 29.939 30.300 -0.474 0.000 0.945 399 R HN 0.189 nan 8.270 nan 0.000 0.479 400 E N 1.323 121.432 120.200 -0.152 0.000 2.106 400 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 400 E C 1.848 178.487 176.600 0.065 0.000 0.984 400 E CA 1.171 57.643 56.400 0.120 0.000 0.806 400 E CB -0.054 29.770 29.700 0.205 0.000 0.750 400 E HN 0.376 nan 8.360 nan 0.000 0.458 401 I N 0.426 120.986 120.570 -0.017 0.000 2.353 401 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 401 I C 2.487 178.561 176.117 -0.072 0.000 1.119 401 I CA 0.977 62.273 61.300 -0.008 0.000 1.417 401 I CB -0.337 37.658 38.000 -0.008 0.000 1.078 401 I HN 0.131 nan 8.210 nan 0.000 0.421 402 G N -0.132 108.577 108.800 -0.152 0.000 2.404 402 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 402 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 402 G C 1.447 176.273 174.900 -0.123 0.000 1.174 402 G CA 0.725 45.737 45.100 -0.146 0.000 0.780 402 G HN 0.462 nan 8.290 nan 0.000 0.537 403 H N -0.162 118.685 119.070 -0.372 0.000 2.470 403 H HA 0.060 4.616 4.556 -0.000 0.000 0.289 403 H C 2.866 177.834 175.328 -0.600 0.000 1.033 403 H CA 0.077 55.759 56.048 -0.610 0.000 1.331 403 H CB 0.197 29.293 29.762 -1.109 0.000 1.414 403 H HN 0.416 nan 8.280 nan 0.000 0.545 404 G N 0.974 109.605 108.800 -0.282 0.000 2.422 404 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 404 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 404 G C 1.803 176.594 174.900 -0.182 0.000 1.146 404 G CA 0.500 45.576 45.100 -0.040 0.000 0.769 404 G HN 0.195 nan 8.290 nan 0.000 0.547 405 R N -0.084 120.328 120.500 -0.146 0.000 2.093 405 R HA 0.151 4.491 4.340 -0.000 0.000 0.224 405 R C 2.313 178.493 176.300 -0.200 0.000 1.101 405 R CA 0.720 56.731 56.100 -0.148 0.000 0.979 405 R CB -0.845 29.406 30.300 -0.082 0.000 0.877 405 R HN 0.332 nan 8.270 nan 0.000 0.441 406 L N 0.184 121.284 121.223 -0.205 0.000 2.046 406 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 406 L C 2.002 178.705 176.870 -0.278 0.000 1.077 406 L CA 2.271 56.989 54.840 -0.203 0.000 0.747 406 L CB -0.903 41.048 42.059 -0.180 0.000 0.896 406 L HN 0.213 nan 8.230 nan 0.000 0.432 407 A N -0.784 121.780 122.820 -0.426 0.000 1.969 407 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 407 A C 2.441 179.544 177.584 -0.802 0.000 1.169 407 A CA 1.746 53.417 52.037 -0.609 0.000 0.635 407 A CB -0.582 17.956 19.000 -0.768 0.000 0.810 407 A HN 0.513 nan 8.150 nan 0.000 0.445 408 K N -0.355 119.549 120.400 -0.826 0.000 2.057 408 K HA -0.112 4.207 4.320 -0.000 0.000 0.206 408 K C 2.170 178.737 176.600 -0.055 0.000 1.050 408 K CA 1.331 57.376 56.287 -0.402 0.000 0.935 408 K CB -0.145 32.186 32.500 -0.282 0.000 0.715 408 K HN 0.406 nan 8.250 nan 0.000 0.439 409 R N -0.687 119.748 120.500 -0.109 0.000 2.189 409 R HA -0.039 4.301 4.340 -0.000 0.000 0.223 409 R C 2.205 178.482 176.300 -0.038 0.000 1.092 409 R CA 1.023 57.099 56.100 -0.041 0.000 0.989 409 R CB -0.125 30.137 30.300 -0.064 0.000 0.876 409 R HN 0.320 nan 8.270 nan 0.000 0.457 410 G N -0.467 108.286 108.800 -0.080 0.000 2.511 410 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 410 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 410 G C 1.163 176.059 174.900 -0.006 0.000 1.133 410 G CA 0.314 45.380 45.100 -0.057 0.000 0.792 410 G HN 0.143 nan 8.290 nan 0.000 0.539 411 V N -0.102 119.844 119.914 0.053 0.000 3.523 411 V HA 0.147 4.267 4.120 -0.000 0.000 0.255 411 V C 2.303 178.433 176.094 0.060 0.000 1.226 411 V CA 0.204 62.570 62.300 0.110 0.000 1.092 411 V CB 0.427 32.430 31.823 0.300 0.000 0.817 411 V HN 0.276 nan 8.190 nan 0.000 0.458 412 L N 1.764 123.055 121.223 0.114 0.000 2.081 412 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 412 L C 2.459 179.316 176.870 -0.022 0.000 1.080 412 L CA 2.510 57.386 54.840 0.060 0.000 0.754 412 L CB -0.591 41.543 42.059 0.125 0.000 0.893 412 L HN 0.277 nan 8.230 nan 0.000 0.433 413 A N -1.258 121.557 122.820 -0.009 0.000 2.019 413 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 413 A C 2.042 179.604 177.584 -0.037 0.000 1.164 413 A CA 1.806 53.832 52.037 -0.018 0.000 0.644 413 A CB -0.914 18.080 19.000 -0.011 0.000 0.805 413 A HN 0.503 nan 8.150 nan 0.000 0.449 414 V N -4.287 115.593 119.914 -0.055 0.000 3.660 414 V HA 0.254 4.374 4.120 -0.000 0.000 0.276 414 V C 0.703 176.731 176.094 -0.111 0.000 1.317 414 V CA -0.326 61.933 62.300 -0.069 0.000 1.097 414 V CB -0.699 31.090 31.823 -0.057 0.000 0.863 414 V HN 0.308 nan 8.190 nan 0.000 0.438 415 M N 3.302 122.807 119.600 -0.158 0.000 2.248 415 M HA 0.334 4.814 4.480 -0.000 0.000 0.345 415 M C -2.278 173.940 176.300 -0.137 0.000 1.243 415 M CA -1.810 53.355 55.300 -0.225 0.000 1.090 415 M CB 0.082 32.449 32.600 -0.388 0.000 1.683 415 M HN 0.165 nan 8.290 nan 0.000 0.450 416 P HA 0.107 nan 4.420 nan 0.000 0.275 416 P C -0.865 176.448 177.300 0.022 0.000 1.228 416 P CA -0.337 62.736 63.100 -0.047 0.000 0.786 416 P CB 0.467 32.126 31.700 -0.068 0.000 0.927 417 D N 2.883 123.304 120.400 0.035 0.000 2.329 417 D HA 0.036 4.676 4.640 -0.000 0.000 0.246 417 D C 1.340 177.685 176.300 0.075 0.000 1.111 417 D CA -0.439 53.588 54.000 0.045 0.000 0.941 417 D CB 0.714 41.529 40.800 0.025 0.000 1.169 417 D HN 0.132 nan 8.370 nan 0.000 0.441 418 M N 0.692 120.323 119.600 0.053 0.000 2.346 418 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 418 M C 0.854 177.152 176.300 -0.003 0.000 1.064 418 M CA 1.112 56.426 55.300 0.024 0.000 1.083 418 M CB -0.756 31.847 32.600 0.004 0.000 1.399 418 M HN 0.452 nan 8.290 nan 0.000 0.435 419 D N 0.401 120.807 120.400 0.011 0.000 2.219 419 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 419 D C 1.784 178.092 176.300 0.014 0.000 0.970 419 D CA 1.162 55.163 54.000 0.002 0.000 0.851 419 D CB 0.103 40.907 40.800 0.007 0.000 0.943 419 D HN 0.413 nan 8.370 nan 0.000 0.488 420 K N -1.425 119.007 120.400 0.054 0.000 2.399 420 K HA 0.113 4.433 4.320 -0.000 0.000 0.196 420 K C 0.044 176.758 176.600 0.189 0.000 1.117 420 K CA -0.126 56.215 56.287 0.091 0.000 0.965 420 K CB 1.228 33.779 32.500 0.084 0.000 0.983 420 K HN -0.065 nan 8.250 nan 0.000 0.531 421 F N 3.244 123.196 119.950 0.002 0.000 2.824 421 F HA 0.287 4.813 4.527 -0.000 0.000 0.375 421 F C -2.744 173.048 175.800 -0.014 0.000 1.190 421 F CA -2.539 55.496 58.000 0.058 0.000 1.180 421 F CB 1.525 40.586 39.000 0.102 0.000 1.477 421 F HN -0.203 nan 8.300 nan 0.000 0.542 422 P HA 0.217 nan 4.420 nan 0.000 0.225 422 P C -1.656 175.100 177.300 -0.907 0.000 1.830 422 P CA 0.249 63.024 63.100 -0.541 0.000 1.051 422 P CB -0.452 30.968 31.700 -0.467 0.000 1.929 423 Y N -1.266 118.842 120.300 -0.319 0.000 2.534 423 Y HA 0.320 4.870 4.550 -0.001 0.000 0.345 423 Y C 0.782 176.660 175.900 -0.036 0.000 1.031 423 Y CA -0.901 57.049 58.100 -0.249 0.000 1.022 423 Y CB 1.642 39.814 38.460 -0.479 0.000 1.292 423 Y HN -0.190 nan 8.280 nan 0.000 0.459 424 T N 2.899 117.559 114.554 0.176 0.000 2.814 424 T HA 0.401 4.750 4.350 -0.000 0.000 0.297 424 T C -0.477 174.355 174.700 0.220 0.000 0.956 424 T CA -0.324 61.882 62.100 0.176 0.000 1.123 424 T CB 0.249 69.193 68.868 0.127 0.000 0.902 424 T HN 0.301 nan 8.240 nan 0.000 0.528 425 V N 4.792 124.867 119.914 0.268 0.000 2.409 425 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 425 V C 0.167 176.406 176.094 0.242 0.000 1.020 425 V CA -0.912 61.562 62.300 0.291 0.000 0.848 425 V CB 1.546 33.584 31.823 0.359 0.000 0.990 425 V HN 0.722 nan 8.190 nan 0.000 0.430 426 R N 3.829 124.398 120.500 0.114 0.000 2.387 426 R HA 0.747 5.087 4.340 -0.000 0.000 0.314 426 R C -1.643 174.598 176.300 -0.098 0.000 0.958 426 R CA -0.381 55.698 56.100 -0.036 0.000 0.846 426 R CB 1.802 32.081 30.300 -0.034 0.000 1.147 426 R HN 0.532 nan 8.270 nan 0.000 0.447 427 V N 5.450 125.188 119.914 -0.294 0.000 2.417 427 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 427 V C -0.483 175.260 176.094 -0.584 0.000 1.024 427 V CA -0.745 61.277 62.300 -0.464 0.000 0.861 427 V CB 1.794 33.189 31.823 -0.713 0.000 0.985 427 V HN 0.504 nan 8.190 nan 0.000 0.436 428 V N 3.587 123.303 119.914 -0.330 0.000 2.409 428 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 428 V C 0.145 176.163 176.094 -0.127 0.000 1.020 428 V CA -0.322 61.875 62.300 -0.172 0.000 0.848 428 V CB 1.828 33.625 31.823 -0.045 0.000 0.990 428 V HN 0.832 nan 8.190 nan 0.000 0.430 429 S N 4.162 119.844 115.700 -0.030 0.000 2.438 429 S HA 0.412 4.882 4.470 -0.000 0.000 0.316 429 S C -0.359 174.235 174.600 -0.011 0.000 1.084 429 S CA -0.685 57.549 58.200 0.056 0.000 1.107 429 S CB 0.455 63.821 63.200 0.276 0.000 0.981 429 S HN 0.722 nan 8.310 nan 0.000 0.466 430 E N 4.735 124.918 120.200 -0.028 0.000 2.055 430 E HA 0.224 4.574 4.350 -0.000 0.000 0.274 430 E C -0.324 176.214 176.600 -0.102 0.000 0.949 430 E CA -0.639 55.716 56.400 -0.076 0.000 0.775 430 E CB 0.765 30.451 29.700 -0.024 0.000 1.097 430 E HN 0.540 nan 8.360 nan 0.000 0.404 431 I N 3.818 124.251 120.570 -0.229 0.000 2.406 431 I HA -0.036 4.134 4.170 -0.000 0.000 0.293 431 I C 1.722 177.655 176.117 -0.307 0.000 1.101 431 I CA 0.298 61.449 61.300 -0.248 0.000 1.334 431 I CB -0.353 37.436 38.000 -0.351 0.000 1.421 431 I HN 0.406 nan 8.210 nan 0.000 0.513 432 T N 2.528 117.008 114.554 -0.124 0.000 3.044 432 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 432 T C 0.592 175.273 174.700 -0.032 0.000 1.073 432 T CA 0.177 62.277 62.100 0.000 0.000 1.125 432 T CB 0.327 69.258 68.868 0.105 0.000 0.908 432 T HN 0.550 nan 8.240 nan 0.000 0.480 433 E N 0.250 120.406 120.200 -0.073 0.000 2.340 433 E HA 0.629 4.978 4.350 -0.000 0.000 0.273 433 E C -1.619 174.944 176.600 -0.061 0.000 0.891 433 E CA -0.710 55.653 56.400 -0.062 0.000 0.757 433 E CB 2.371 32.067 29.700 -0.007 0.000 1.231 433 E HN 0.057 nan 8.360 nan 0.000 0.439 434 S N 1.768 117.443 115.700 -0.041 0.000 2.736 434 S HA 0.450 4.919 4.470 -0.000 0.000 0.285 434 S C -1.347 173.314 174.600 0.103 0.000 1.163 434 S CA -0.617 57.626 58.200 0.070 0.000 1.025 434 S CB 0.451 63.735 63.200 0.140 0.000 1.030 434 S HN 0.529 nan 8.310 nan 0.000 0.486 435 N N 3.072 121.842 118.700 0.117 0.000 2.639 435 N HA 0.424 5.164 4.740 -0.000 0.000 0.265 435 N C -0.500 175.076 175.510 0.110 0.000 1.689 435 N CA 0.782 53.905 53.050 0.122 0.000 0.813 435 N CB 0.662 39.214 38.487 0.109 0.000 1.353 435 N HN 1.061 nan 8.380 nan 0.000 0.510 436 G N 0.037 108.909 108.800 0.119 0.000 2.674 436 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 436 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 436 G C -0.664 174.301 174.900 0.108 0.000 1.195 436 G CA -0.489 44.665 45.100 0.090 0.000 0.776 436 G HN 0.435 nan 8.290 nan 0.000 0.654 437 S N 0.254 116.008 115.700 0.089 0.000 2.596 437 S HA 0.359 4.829 4.470 -0.000 0.000 0.298 437 S C 2.010 176.689 174.600 0.132 0.000 1.255 437 S CA 0.867 59.111 58.200 0.072 0.000 1.083 437 S CB 0.226 63.439 63.200 0.021 0.000 0.837 437 S HN 2.056 nan 8.310 nan 0.000 0.499 438 S N 4.226 120.038 115.700 0.187 0.000 2.355 438 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 438 S C 2.101 176.861 174.600 0.267 0.000 1.031 438 S CA 1.226 59.597 58.200 0.286 0.000 0.993 438 S CB -0.967 62.520 63.200 0.479 0.000 0.859 438 S HN 0.978 nan 8.310 nan 0.000 0.453 439 S N 1.330 117.116 115.700 0.144 0.000 2.453 439 S HA 0.123 4.593 4.470 -0.000 0.000 0.231 439 S C 1.838 176.437 174.600 -0.003 0.000 1.005 439 S CA 0.610 58.838 58.200 0.046 0.000 0.949 439 S CB -0.511 62.511 63.200 -0.297 0.000 0.774 439 S HN 0.315 nan 8.310 nan 0.000 0.510 440 M N 1.419 121.019 119.600 -0.000 0.000 2.349 440 M HA 0.284 4.764 4.480 -0.000 0.000 0.266 440 M C 2.495 178.785 176.300 -0.016 0.000 1.076 440 M CA 1.094 56.387 55.300 -0.012 0.000 1.126 440 M CB -1.541 31.064 32.600 0.008 0.000 1.392 440 M HN 0.558 nan 8.290 nan 0.000 0.440 441 A N -0.235 122.632 122.820 0.079 0.000 1.968 441 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 441 A C 2.412 180.002 177.584 0.010 0.000 1.169 441 A CA 1.650 53.735 52.037 0.080 0.000 0.638 441 A CB -0.571 18.651 19.000 0.369 0.000 0.812 441 A HN 0.445 nan 8.150 nan 0.000 0.446 442 S N -0.224 115.560 115.700 0.141 0.000 2.399 442 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 442 S C 1.850 176.568 174.600 0.198 0.000 1.022 442 S CA 1.355 59.700 58.200 0.242 0.000 0.983 442 S CB -0.386 63.067 63.200 0.421 0.000 0.803 442 S HN 0.356 nan 8.310 nan 0.000 0.480 443 V N 1.221 121.162 119.914 0.046 0.000 2.295 443 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 443 V C 2.488 178.539 176.094 -0.071 0.000 1.049 443 V CA 1.578 63.880 62.300 0.003 0.000 1.024 443 V CB -0.958 30.827 31.823 -0.063 0.000 0.648 443 V HN 0.587 nan 8.190 nan 0.000 0.447 444 C N 0.785 119.918 119.300 -0.279 0.000 2.432 444 C HA -0.041 4.418 4.460 -0.000 0.000 0.277 444 C C 2.961 177.760 174.990 -0.318 0.000 1.249 444 C CA 0.719 59.446 59.018 -0.485 0.000 1.725 444 C CB -1.746 25.209 27.740 -1.308 0.000 2.028 444 C HN 0.668 nan 8.230 nan 0.000 0.477 445 G N 0.361 109.014 108.800 -0.245 0.000 2.422 445 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.218 445 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.218 445 G C 1.843 176.763 174.900 0.032 0.000 1.146 445 G CA 1.091 46.183 45.100 -0.013 0.000 0.769 445 G HN 0.631 nan 8.290 nan 0.000 0.547 446 A N 0.560 123.426 122.820 0.077 0.000 1.898 446 A HA 0.016 4.335 4.320 -0.000 0.000 0.216 446 A C 2.622 180.250 177.584 0.073 0.000 1.181 446 A CA 2.182 54.286 52.037 0.113 0.000 0.620 446 A CB -0.874 18.321 19.000 0.325 0.000 0.819 446 A HN 0.401 nan 8.150 nan 0.000 0.442 447 S N -0.482 115.244 115.700 0.043 0.000 2.383 447 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 447 S C 1.885 176.485 174.600 -0.001 0.000 1.030 447 S CA 1.666 59.871 58.200 0.009 0.000 1.002 447 S CB -0.492 62.695 63.200 -0.021 0.000 0.829 447 S HN 0.470 nan 8.310 nan 0.000 0.467 448 L N 0.746 121.972 121.223 0.004 0.000 2.131 448 L HA 0.098 4.438 4.340 -0.000 0.000 0.206 448 L C 2.893 179.774 176.870 0.019 0.000 1.087 448 L CA 1.077 55.928 54.840 0.018 0.000 0.767 448 L CB -0.599 41.487 42.059 0.044 0.000 0.917 448 L HN 0.352 nan 8.230 nan 0.000 0.441 449 A N 0.057 122.891 122.820 0.023 0.000 1.930 449 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 449 A C 2.266 179.859 177.584 0.015 0.000 1.175 449 A CA 1.212 53.262 52.037 0.021 0.000 0.627 449 A CB -0.582 18.427 19.000 0.014 0.000 0.815 449 A HN 0.333 nan 8.150 nan 0.000 0.443 450 L N -1.268 119.961 121.223 0.010 0.000 2.056 450 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 450 L C 2.831 179.677 176.870 -0.040 0.000 1.078 450 L CA 1.292 56.126 54.840 -0.010 0.000 0.749 450 L CB -0.392 41.656 42.059 -0.019 0.000 0.901 450 L HN 0.395 nan 8.230 nan 0.000 0.433 451 M N -0.673 118.906 119.600 -0.034 0.000 2.175 451 M HA -0.216 4.264 4.480 -0.000 0.000 0.264 451 M C 1.830 178.115 176.300 -0.026 0.000 1.063 451 M CA 1.600 56.876 55.300 -0.041 0.000 1.119 451 M CB -0.413 32.169 32.600 -0.029 0.000 1.377 451 M HN 0.179 nan 8.290 nan 0.000 0.415 452 D N 0.431 120.827 120.400 -0.007 0.000 2.178 452 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 452 D C 1.683 177.987 176.300 0.006 0.000 0.980 452 D CA 1.439 55.442 54.000 0.004 0.000 0.842 452 D CB 0.183 40.993 40.800 0.017 0.000 0.948 452 D HN 0.285 nan 8.370 nan 0.000 0.472 453 A N -0.952 121.872 122.820 0.008 0.000 2.169 453 A HA 0.418 4.738 4.320 -0.000 0.000 0.212 453 A C 1.832 179.402 177.584 -0.022 0.000 1.153 453 A CA 1.073 53.120 52.037 0.016 0.000 0.756 453 A CB -0.389 18.643 19.000 0.053 0.000 0.813 453 A HN 0.451 nan 8.150 nan 0.000 0.471 454 G N -1.390 107.383 108.800 -0.045 0.000 2.132 454 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.234 454 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.234 454 G C 0.096 174.906 174.900 -0.150 0.000 0.989 454 G CA 0.034 45.093 45.100 -0.068 0.000 0.676 454 G HN 0.808 nan 8.290 nan 0.000 0.522 455 V N 2.100 121.887 119.914 -0.211 0.000 2.479 455 V HA 0.335 4.454 4.120 -0.000 0.000 0.281 455 V C -1.055 174.783 176.094 -0.427 0.000 1.031 455 V CA -0.651 61.359 62.300 -0.484 0.000 1.038 455 V CB 1.092 32.719 31.823 -0.327 0.000 0.981 455 V HN 0.258 nan 8.190 nan 0.000 0.478 456 P HA 0.218 nan 4.420 nan 0.000 0.237 456 P C 0.041 177.192 177.300 -0.249 0.000 1.788 456 P CA -0.208 62.709 63.100 -0.305 0.000 1.061 456 P CB -0.310 31.241 31.700 -0.248 0.000 1.967 457 I N -1.767 118.679 120.570 -0.206 0.000 2.696 457 I HA 0.158 4.328 4.170 -0.000 0.000 0.284 457 I C 1.281 177.336 176.117 -0.103 0.000 1.129 457 I CA -0.406 60.803 61.300 -0.153 0.000 1.410 457 I CB 0.660 38.584 38.000 -0.127 0.000 1.399 457 I HN -0.095 nan 8.210 nan 0.000 0.579 458 K N 3.678 124.028 120.400 -0.084 0.000 2.097 458 K HA 0.133 4.453 4.320 -0.000 0.000 0.206 458 K C 0.540 177.113 176.600 -0.045 0.000 1.049 458 K CA 1.476 57.729 56.287 -0.057 0.000 0.933 458 K CB -0.113 32.359 32.500 -0.046 0.000 0.717 458 K HN 0.865 nan 8.250 nan 0.000 0.442 459 A N -0.247 122.546 122.820 -0.045 0.000 2.612 459 A HA 0.659 4.979 4.320 -0.000 0.000 0.293 459 A C -1.538 176.026 177.584 -0.034 0.000 1.075 459 A CA -0.706 51.311 52.037 -0.034 0.000 0.680 459 A CB 0.970 19.955 19.000 -0.024 0.000 1.279 459 A HN 0.092 nan 8.150 nan 0.000 0.411 460 A N -0.159 122.645 122.820 -0.026 0.000 2.445 460 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 460 A C -0.012 177.558 177.584 -0.024 0.000 1.075 460 A CA 0.161 52.184 52.037 -0.025 0.000 0.777 460 A CB 0.339 19.329 19.000 -0.018 0.000 1.013 460 A HN 2.077 nan 8.150 nan 0.000 0.493 461 V N 0.925 120.822 119.914 -0.028 0.000 2.789 461 V HA 0.829 4.949 4.120 -0.000 0.000 0.311 461 V C -0.010 176.052 176.094 -0.052 0.000 1.073 461 V CA 0.416 62.698 62.300 -0.030 0.000 0.921 461 V CB 1.785 33.597 31.823 -0.020 0.000 1.009 461 V HN 1.794 nan 8.190 nan 0.000 0.426 462 A N 3.647 126.438 122.820 -0.049 0.000 2.583 462 A HA 1.056 5.376 4.320 -0.000 0.000 0.289 462 A C -0.335 177.221 177.584 -0.046 0.000 1.151 462 A CA -0.142 51.850 52.037 -0.075 0.000 0.695 462 A CB 1.879 20.846 19.000 -0.054 0.000 1.290 462 A HN 1.867 nan 8.150 nan 0.000 0.419 463 G N -1.092 107.681 108.800 -0.044 0.000 2.660 463 G HA2 0.768 4.728 3.960 -0.000 0.000 0.290 463 G HA3 0.768 4.728 3.960 -0.000 0.000 0.290 463 G C -1.475 173.444 174.900 0.032 0.000 1.432 463 G CA 0.090 45.184 45.100 -0.008 0.000 0.807 463 G HN 1.646 nan 8.290 nan 0.000 0.485 464 I N -2.118 118.481 120.570 0.049 0.000 3.195 464 I HA 0.902 5.072 4.170 -0.000 0.000 0.313 464 I C -0.139 176.021 176.117 0.072 0.000 1.237 464 I CA -1.835 59.510 61.300 0.075 0.000 0.963 464 I CB 1.742 39.799 38.000 0.094 0.000 1.278 464 I HN 0.923 nan 8.210 nan 0.000 0.460 465 A N 3.605 126.471 122.820 0.076 0.000 2.318 465 A HA 0.913 5.233 4.320 -0.000 0.000 0.324 465 A C -0.574 177.069 177.584 0.099 0.000 1.170 465 A CA -0.602 51.485 52.037 0.083 0.000 0.810 465 A CB 0.908 19.938 19.000 0.049 0.000 1.198 465 A HN 0.615 nan 8.150 nan 0.000 0.484 466 M N 2.071 121.759 119.600 0.146 0.000 2.363 466 M HA 0.527 5.006 4.480 -0.000 0.000 0.343 466 M C 0.546 176.892 176.300 0.077 0.000 1.165 466 M CA -0.373 54.979 55.300 0.087 0.000 1.046 466 M CB 1.088 33.699 32.600 0.018 0.000 1.648 466 M HN 0.812 nan 8.290 nan 0.000 0.452 467 G N 1.384 110.201 108.800 0.029 0.000 2.735 467 G HA2 0.841 4.801 3.960 -0.000 0.000 0.301 467 G HA3 0.841 4.801 3.960 -0.000 0.000 0.301 467 G C -1.981 172.923 174.900 0.007 0.000 1.279 467 G CA -0.484 44.633 45.100 0.028 0.000 1.019 467 G HN 0.597 nan 8.290 nan 0.000 0.497 468 L N -0.582 120.652 121.223 0.019 0.000 2.549 468 L HA 0.643 4.982 4.340 -0.000 0.000 0.259 468 L C -1.354 175.535 176.870 0.032 0.000 0.934 468 L CA -0.541 54.312 54.840 0.023 0.000 0.865 468 L CB 2.311 44.370 42.059 -0.000 0.000 1.352 468 L HN 0.397 nan 8.230 nan 0.000 0.410 469 V N 4.506 124.447 119.914 0.046 0.000 2.407 469 V HA 0.589 4.709 4.120 -0.000 0.000 0.291 469 V C -0.507 175.627 176.094 0.067 0.000 1.018 469 V CA -0.615 61.707 62.300 0.038 0.000 0.842 469 V CB 1.640 33.473 31.823 0.016 0.000 0.996 469 V HN 0.741 nan 8.190 nan 0.000 0.426 470 K N 3.556 123.990 120.400 0.057 0.000 2.471 470 K HA 0.590 4.910 4.320 -0.000 0.000 0.252 470 K C -1.214 175.414 176.600 0.046 0.000 0.938 470 K CA -0.572 55.762 56.287 0.078 0.000 0.796 470 K CB 1.717 34.253 32.500 0.060 0.000 1.161 470 K HN 0.565 nan 8.250 nan 0.000 0.425 471 E N 2.817 123.046 120.200 0.048 0.000 2.255 471 E HA 0.256 4.606 4.350 -0.000 0.000 0.256 471 E C 0.332 176.951 176.600 0.031 0.000 0.887 471 E CA 0.026 56.443 56.400 0.028 0.000 0.782 471 E CB 1.622 31.331 29.700 0.014 0.000 1.214 471 E HN 0.955 nan 8.360 nan 0.000 0.417 472 G N 4.993 113.807 108.800 0.025 0.000 2.620 472 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.315 472 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.315 472 G C 0.539 175.463 174.900 0.042 0.000 1.179 472 G CA 0.703 45.817 45.100 0.024 0.000 0.971 472 G HN 0.527 nan 8.290 nan 0.000 0.544 473 D N 1.761 122.191 120.400 0.050 0.000 2.392 473 D HA 0.132 4.771 4.640 -0.000 0.000 0.206 473 D C 0.909 177.289 176.300 0.133 0.000 1.046 473 D CA 0.175 54.225 54.000 0.084 0.000 0.865 473 D CB -0.138 40.696 40.800 0.056 0.000 0.969 473 D HN 0.513 nan 8.370 nan 0.000 0.509 474 N N 0.660 119.405 118.700 0.075 0.000 2.470 474 N HA 0.290 5.029 4.740 -0.000 0.000 0.268 474 N C -0.717 174.856 175.510 0.106 0.000 1.136 474 N CA -0.207 52.860 53.050 0.029 0.000 0.961 474 N CB 0.532 39.011 38.487 -0.013 0.000 1.067 474 N HN 0.095 nan 8.380 nan 0.000 0.468 475 Y N -1.434 118.849 120.300 -0.027 0.000 2.571 475 Y HA 0.732 5.281 4.550 -0.000 0.000 0.341 475 Y C -1.705 174.173 175.900 -0.036 0.000 1.076 475 Y CA -1.265 56.816 58.100 -0.032 0.000 1.029 475 Y CB 0.949 39.386 38.460 -0.037 0.000 1.308 475 Y HN 0.116 nan 8.280 nan 0.000 0.461 476 V N 2.973 122.944 119.914 0.095 0.000 2.577 476 V HA 0.470 4.590 4.120 -0.000 0.000 0.303 476 V C -0.774 175.381 176.094 0.101 0.000 1.042 476 V CA -0.952 61.360 62.300 0.020 0.000 0.872 476 V CB 1.600 33.406 31.823 -0.028 0.000 0.998 476 V HN 0.770 nan 8.190 nan 0.000 0.423 477 V N 5.970 125.941 119.914 0.094 0.000 2.432 477 V HA 0.400 4.519 4.120 -0.000 0.000 0.275 477 V C -0.233 175.864 176.094 0.004 0.000 1.043 477 V CA -0.372 61.951 62.300 0.040 0.000 0.925 477 V CB 1.268 33.099 31.823 0.013 0.000 0.985 477 V HN 0.553 nan 8.190 nan 0.000 0.466 478 L N 4.384 125.607 121.223 -0.001 0.000 2.309 478 L HA 0.505 4.845 4.340 -0.000 0.000 0.282 478 L C 0.435 177.308 176.870 0.006 0.000 1.036 478 L CA 0.510 55.352 54.840 0.004 0.000 0.806 478 L CB 1.889 43.955 42.059 0.011 0.000 1.220 478 L HN 0.645 nan 8.230 nan 0.000 0.429 479 S N 1.427 117.134 115.700 0.012 0.000 2.508 479 S HA 0.291 4.761 4.470 -0.000 0.000 0.284 479 S C -0.466 174.158 174.600 0.040 0.000 1.192 479 S CA -0.479 57.736 58.200 0.025 0.000 1.070 479 S CB 0.808 64.020 63.200 0.021 0.000 1.004 479 S HN 0.708 nan 8.310 nan 0.000 0.493 480 D N 1.660 122.094 120.400 0.057 0.000 3.038 480 D HA -0.183 4.457 4.640 -0.000 0.000 0.229 480 D C -0.145 176.188 176.300 0.056 0.000 1.182 480 D CA 0.410 54.451 54.000 0.068 0.000 0.852 480 D CB -1.322 39.527 40.800 0.081 0.000 0.932 480 D HN 0.570 nan 8.370 nan 0.000 0.406 481 I N -1.700 118.900 120.570 0.049 0.000 2.638 481 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 481 I C 0.716 176.856 176.117 0.039 0.000 1.088 481 I CA -1.164 60.159 61.300 0.037 0.000 1.397 481 I CB 0.497 38.512 38.000 0.026 0.000 1.414 481 I HN -0.033 nan 8.210 nan 0.000 0.566 482 L N 4.487 125.734 121.223 0.040 0.000 2.476 482 L HA 0.265 4.605 4.340 -0.000 0.000 0.255 482 L C 1.708 178.583 176.870 0.009 0.000 1.218 482 L CA 0.932 55.803 54.840 0.052 0.000 0.819 482 L CB 0.768 42.874 42.059 0.078 0.000 1.119 482 L HN 0.876 nan 8.230 nan 0.000 0.485 483 G N -0.371 108.445 108.800 0.026 0.000 2.440 483 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 483 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 483 G C 1.084 175.843 174.900 -0.236 0.000 1.154 483 G CA 0.637 45.675 45.100 -0.104 0.000 0.767 483 G HN 0.734 nan 8.290 nan 0.000 0.552 484 D N 0.721 121.158 120.400 0.062 0.000 2.117 484 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 484 D C 2.428 178.755 176.300 0.045 0.000 0.987 484 D CA 0.939 55.019 54.000 0.133 0.000 0.829 484 D CB -0.232 40.687 40.800 0.198 0.000 0.961 484 D HN 0.468 nan 8.370 nan 0.000 0.460 485 E N 0.134 120.343 120.200 0.014 0.000 2.268 485 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 485 E C 1.382 177.974 176.600 -0.013 0.000 0.995 485 E CA 0.631 57.035 56.400 0.005 0.000 0.836 485 E CB 0.136 29.845 29.700 0.015 0.000 0.763 485 E HN 0.196 nan 8.360 nan 0.000 0.491 486 D N 0.062 120.413 120.400 -0.082 0.000 2.120 486 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 486 D C 1.541 177.839 176.300 -0.002 0.000 0.972 486 D CA 1.231 55.180 54.000 -0.086 0.000 0.837 486 D CB 0.070 40.759 40.800 -0.184 0.000 0.989 486 D HN 0.302 nan 8.370 nan 0.000 0.469 487 H N -0.896 118.237 119.070 0.106 0.000 2.428 487 H HA 0.143 4.698 4.556 -0.001 0.000 0.296 487 H C 1.611 177.008 175.328 0.115 0.000 1.062 487 H CA 0.639 56.761 56.048 0.124 0.000 1.350 487 H CB 0.339 30.199 29.762 0.163 0.000 1.403 487 H HN 0.137 nan 8.280 nan 0.000 0.533 488 L N 0.147 121.470 121.223 0.166 0.000 2.585 488 L HA 0.220 4.560 4.340 -0.000 0.000 0.226 488 L C 1.513 178.406 176.870 0.040 0.000 1.113 488 L CA -0.268 54.613 54.840 0.068 0.000 0.876 488 L CB 0.394 42.434 42.059 -0.031 0.000 1.072 488 L HN 0.166 nan 8.230 nan 0.000 0.468 489 G N -0.814 108.017 108.800 0.052 0.000 2.510 489 G HA2 0.135 4.095 3.960 -0.000 0.000 0.280 489 G HA3 0.135 4.095 3.960 -0.000 0.000 0.280 489 G C -0.103 174.829 174.900 0.053 0.000 1.386 489 G CA -0.224 44.899 45.100 0.039 0.000 1.047 489 G HN -0.012 nan 8.290 nan 0.000 0.527 490 D N -0.855 119.572 120.400 0.044 0.000 2.441 490 D HA 0.149 4.789 4.640 -0.000 0.000 0.210 490 D C 0.883 177.212 176.300 0.050 0.000 1.102 490 D CA 0.475 54.501 54.000 0.043 0.000 0.840 490 D CB 0.518 41.334 40.800 0.027 0.000 0.990 490 D HN 0.472 nan 8.370 nan 0.000 0.505 491 M N -1.192 118.443 119.600 0.058 0.000 2.603 491 M HA 0.468 4.948 4.480 -0.000 0.000 0.275 491 M C -2.184 174.169 176.300 0.088 0.000 1.226 491 M CA -0.835 54.512 55.300 0.079 0.000 0.870 491 M CB 3.202 35.862 32.600 0.101 0.000 1.716 491 M HN -0.428 nan 8.290 nan 0.000 0.482 492 D N 1.902 122.358 120.400 0.092 0.000 2.425 492 D HA 0.504 5.144 4.640 -0.000 0.000 0.240 492 D C -2.203 174.165 176.300 0.114 0.000 1.080 492 D CA 0.025 54.077 54.000 0.087 0.000 0.836 492 D CB 1.475 42.300 40.800 0.041 0.000 1.125 492 D HN 0.620 nan 8.370 nan 0.000 0.525 493 F N 3.599 123.536 119.950 -0.022 0.000 2.434 493 F HA 0.375 4.902 4.527 -0.000 0.000 0.367 493 F C -0.462 175.322 175.800 -0.027 0.000 1.093 493 F CA -0.767 57.218 58.000 -0.026 0.000 1.085 493 F CB 0.679 39.666 39.000 -0.023 0.000 1.322 493 F HN -0.024 nan 8.300 nan 0.000 0.452 494 K N 4.946 125.287 120.400 -0.097 0.000 2.185 494 K HA 0.720 5.040 4.320 -0.000 0.000 0.269 494 K C -1.299 175.248 176.600 -0.088 0.000 0.987 494 K CA -0.842 55.415 56.287 -0.050 0.000 0.865 494 K CB 2.423 34.866 32.500 -0.095 0.000 1.090 494 K HN 0.303 nan 8.250 nan 0.000 0.450 495 V N 1.693 121.612 119.914 0.007 0.000 2.577 495 V HA 0.703 4.823 4.120 -0.000 0.000 0.303 495 V C -0.808 175.285 176.094 -0.001 0.000 1.042 495 V CA -0.937 61.366 62.300 0.006 0.000 0.872 495 V CB 1.613 33.491 31.823 0.092 0.000 0.998 495 V HN 0.913 nan 8.190 nan 0.000 0.423 496 A N 2.925 125.730 122.820 -0.025 0.000 2.401 496 A HA 1.088 5.408 4.320 -0.000 0.000 0.310 496 A C 0.037 177.609 177.584 -0.020 0.000 1.075 496 A CA -0.060 51.961 52.037 -0.027 0.000 0.746 496 A CB 2.119 21.089 19.000 -0.049 0.000 1.277 496 A HN 1.797 nan 8.150 nan 0.000 0.425 497 G N -0.501 108.290 108.800 -0.015 0.000 2.313 497 G HA2 0.588 4.548 3.960 -0.000 0.000 0.296 497 G HA3 0.588 4.548 3.960 -0.000 0.000 0.296 497 G C -0.196 174.699 174.900 -0.009 0.000 1.356 497 G CA 0.254 45.347 45.100 -0.012 0.000 0.833 497 G HN 1.748 nan 8.290 nan 0.000 0.552 498 S N -0.706 114.989 115.700 -0.008 0.000 2.552 498 S HA 0.443 4.912 4.470 -0.000 0.000 0.271 498 S C 1.347 175.948 174.600 0.001 0.000 1.168 498 S CA -0.203 57.993 58.200 -0.007 0.000 1.026 498 S CB 1.049 64.242 63.200 -0.011 0.000 1.120 498 S HN 0.683 nan 8.310 nan 0.000 0.514 499 R N 0.287 120.788 120.500 0.002 0.000 2.189 499 R HA 0.036 4.376 4.340 -0.000 0.000 0.218 499 R C 0.350 176.655 176.300 0.007 0.000 1.074 499 R CA 1.204 57.309 56.100 0.008 0.000 0.991 499 R CB -0.259 30.045 30.300 0.007 0.000 0.883 499 R HN 0.622 nan 8.270 nan 0.000 0.457 500 D N -1.134 119.268 120.400 0.003 0.000 2.441 500 D HA 0.188 4.828 4.640 -0.000 0.000 0.210 500 D C 0.593 176.894 176.300 0.002 0.000 1.102 500 D CA 0.463 54.465 54.000 0.003 0.000 0.840 500 D CB 1.422 42.222 40.800 0.001 0.000 0.990 500 D HN 0.258 nan 8.370 nan 0.000 0.505 501 G N 0.041 108.841 108.800 0.000 0.000 2.349 501 G HA2 0.395 4.355 3.960 -0.000 0.000 0.294 501 G HA3 0.395 4.355 3.960 -0.000 0.000 0.294 501 G C -1.680 173.217 174.900 -0.005 0.000 1.380 501 G CA -0.889 44.209 45.100 -0.003 0.000 0.811 501 G HN -0.007 nan 8.290 nan 0.000 0.519 502 I N 1.738 122.302 120.570 -0.010 0.000 2.315 502 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 502 I C 1.551 177.655 176.117 -0.021 0.000 1.006 502 I CA -0.328 60.964 61.300 -0.013 0.000 1.265 502 I CB 1.970 39.962 38.000 -0.013 0.000 1.387 502 I HN 0.619 nan 8.210 nan 0.000 0.475 503 S N 4.451 120.138 115.700 -0.022 0.000 2.439 503 S HA 0.353 4.823 4.470 -0.000 0.000 0.224 503 S C 0.687 175.268 174.600 -0.032 0.000 1.029 503 S CA 0.141 58.327 58.200 -0.022 0.000 0.946 503 S CB 0.331 63.520 63.200 -0.019 0.000 0.797 503 S HN 0.692 nan 8.310 nan 0.000 0.504 504 A N 0.548 123.341 122.820 -0.045 0.000 2.520 504 A HA 0.745 5.065 4.320 -0.000 0.000 0.298 504 A C -1.658 175.875 177.584 -0.084 0.000 1.051 504 A CA -0.660 51.338 52.037 -0.065 0.000 0.690 504 A CB 1.583 20.537 19.000 -0.077 0.000 1.281 504 A HN 0.539 nan 8.150 nan 0.000 0.402 505 L N 1.041 122.198 121.223 -0.111 0.000 2.409 505 L HA 0.708 5.047 4.340 -0.000 0.000 0.272 505 L C -0.647 176.093 176.870 -0.216 0.000 0.980 505 L CA 0.075 54.810 54.840 -0.175 0.000 0.826 505 L CB 1.953 43.910 42.059 -0.169 0.000 1.268 505 L HN 0.821 nan 8.230 nan 0.000 0.407 506 Q N 5.066 124.694 119.800 -0.286 0.000 2.323 506 Q HA 0.673 5.013 4.340 -0.000 0.000 0.271 506 Q C -1.817 173.965 176.000 -0.364 0.000 1.048 506 Q CA -0.642 55.006 55.803 -0.258 0.000 0.792 506 Q CB 2.081 30.713 28.738 -0.176 0.000 1.280 506 Q HN 0.788 nan 8.270 nan 0.000 0.441 507 M N 2.742 122.168 119.600 -0.289 0.000 2.326 507 M HA 0.443 4.923 4.480 -0.000 0.000 0.306 507 M C -1.402 174.841 176.300 -0.096 0.000 1.054 507 M CA -0.641 54.512 55.300 -0.244 0.000 0.922 507 M CB 2.063 34.515 32.600 -0.247 0.000 1.632 507 M HN 0.398 nan 8.290 nan 0.000 0.436 508 D N 4.737 125.117 120.400 -0.033 0.000 2.375 508 D HA 0.438 5.078 4.640 -0.000 0.000 0.259 508 D C -1.000 175.321 176.300 0.036 0.000 1.235 508 D CA -0.097 53.906 54.000 0.006 0.000 0.924 508 D CB 1.530 42.340 40.800 0.018 0.000 1.143 508 D HN 0.466 nan 8.370 nan 0.000 0.529 509 I N 1.352 121.940 120.570 0.029 0.000 2.353 509 I HA 0.207 4.377 4.170 -0.000 0.000 0.293 509 I C 1.532 177.668 176.117 0.031 0.000 0.992 509 I CA -0.366 60.954 61.300 0.034 0.000 1.268 509 I CB 1.738 39.748 38.000 0.017 0.000 1.387 509 I HN -0.057 nan 8.210 nan 0.000 0.478 510 K N 5.417 125.840 120.400 0.038 0.000 2.353 510 K HA 0.304 4.623 4.320 -0.000 0.000 0.195 510 K C 0.170 176.785 176.600 0.025 0.000 1.031 510 K CA 0.225 56.539 56.287 0.045 0.000 1.079 510 K CB 0.337 32.878 32.500 0.068 0.000 0.857 510 K HN 0.591 nan 8.250 nan 0.000 0.535 511 I N -2.294 118.280 120.570 0.008 0.000 2.750 511 I HA 0.372 4.542 4.170 -0.000 0.000 0.308 511 I C -0.271 175.828 176.117 -0.031 0.000 1.016 511 I CA -1.045 60.249 61.300 -0.009 0.000 1.098 511 I CB 1.545 39.541 38.000 -0.007 0.000 1.279 511 I HN -0.194 nan 8.210 nan 0.000 0.454 512 E N 1.563 121.737 120.200 -0.044 0.000 2.314 512 E HA 0.400 4.750 4.350 -0.000 0.000 0.262 512 E C 0.469 177.038 176.600 -0.052 0.000 1.093 512 E CA 0.132 56.497 56.400 -0.058 0.000 0.908 512 E CB 1.043 30.700 29.700 -0.071 0.000 1.091 512 E HN 1.089 nan 8.360 nan 0.000 0.425 513 G N 1.677 110.443 108.800 -0.057 0.000 2.225 513 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 513 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 513 G C 0.025 174.881 174.900 -0.074 0.000 1.060 513 G CA 0.189 45.255 45.100 -0.056 0.000 0.833 513 G HN 0.468 nan 8.290 nan 0.000 0.498 514 I N 0.551 121.069 120.570 -0.087 0.000 2.720 514 I HA 0.508 4.678 4.170 -0.000 0.000 0.287 514 I C 0.675 176.715 176.117 -0.127 0.000 1.090 514 I CA 0.172 61.405 61.300 -0.112 0.000 1.384 514 I CB 0.895 38.841 38.000 -0.090 0.000 1.420 514 I HN 0.163 nan 8.210 nan 0.000 0.575 515 T N 6.002 120.462 114.554 -0.158 0.000 2.912 515 T HA 0.201 4.551 4.350 -0.000 0.000 0.288 515 T C 0.734 175.359 174.700 -0.125 0.000 1.030 515 T CA -0.738 61.278 62.100 -0.140 0.000 1.020 515 T CB 1.960 70.732 68.868 -0.161 0.000 1.056 515 T HN 0.601 nan 8.240 nan 0.000 0.480 516 K N 1.218 121.569 120.400 -0.083 0.000 2.103 516 K HA -0.181 4.138 4.320 -0.000 0.000 0.207 516 K C 2.006 178.571 176.600 -0.059 0.000 1.048 516 K CA 1.697 57.952 56.287 -0.053 0.000 0.930 516 K CB 0.044 32.530 32.500 -0.022 0.000 0.716 516 K HN 0.751 nan 8.250 nan 0.000 0.444 517 E N 0.625 120.783 120.200 -0.071 0.000 2.051 517 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 517 E C 2.033 178.561 176.600 -0.120 0.000 0.991 517 E CA 1.399 57.763 56.400 -0.061 0.000 0.799 517 E CB -0.118 29.566 29.700 -0.026 0.000 0.748 517 E HN 0.360 nan 8.360 nan 0.000 0.449 518 I N 0.629 121.039 120.570 -0.266 0.000 2.179 518 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 518 I C 2.723 178.676 176.117 -0.273 0.000 1.088 518 I CA 1.188 62.250 61.300 -0.397 0.000 1.357 518 I CB -0.235 37.405 38.000 -0.599 0.000 1.051 518 I HN 0.242 nan 8.210 nan 0.000 0.409 519 M N -0.305 119.181 119.600 -0.190 0.000 2.213 519 M HA -0.269 4.211 4.480 -0.000 0.000 0.263 519 M C 2.395 178.639 176.300 -0.094 0.000 1.062 519 M CA 1.733 56.962 55.300 -0.119 0.000 1.105 519 M CB -0.379 32.251 32.600 0.049 0.000 1.385 519 M HN 0.304 nan 8.290 nan 0.000 0.417 520 Q N 0.165 119.925 119.800 -0.066 0.000 2.083 520 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 520 Q C 1.882 177.852 176.000 -0.050 0.000 0.969 520 Q CA 1.332 57.117 55.803 -0.030 0.000 0.838 520 Q CB 0.145 28.877 28.738 -0.010 0.000 0.900 520 Q HN 0.329 nan 8.270 nan 0.000 0.436 521 V N 1.071 120.945 119.914 -0.066 0.000 2.343 521 V HA -0.272 3.847 4.120 -0.000 0.000 0.247 521 V C 2.357 178.385 176.094 -0.111 0.000 1.051 521 V CA 1.774 64.046 62.300 -0.045 0.000 1.036 521 V CB -1.083 30.759 31.823 0.032 0.000 0.654 521 V HN 0.531 nan 8.190 nan 0.000 0.451 522 A N -0.352 122.316 122.820 -0.255 0.000 1.902 522 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 522 A C 2.231 179.657 177.584 -0.264 0.000 1.181 522 A CA 1.807 53.578 52.037 -0.442 0.000 0.623 522 A CB -0.505 17.820 19.000 -1.124 0.000 0.818 522 A HN 0.498 nan 8.150 nan 0.000 0.443 523 L N -0.661 120.485 121.223 -0.129 0.000 2.056 523 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 523 L C 2.533 179.422 176.870 0.032 0.000 1.078 523 L CA 1.658 56.533 54.840 0.059 0.000 0.749 523 L CB -0.491 41.634 42.059 0.109 0.000 0.901 523 L HN 0.579 nan 8.230 nan 0.000 0.433 524 N N -0.179 118.522 118.700 0.002 0.000 2.142 524 N HA -0.260 4.480 4.740 -0.000 0.000 0.186 524 N C 1.910 177.424 175.510 0.006 0.000 1.023 524 N CA 1.339 54.394 53.050 0.008 0.000 0.852 524 N CB -0.023 38.466 38.487 0.003 0.000 0.998 524 N HN 0.225 nan 8.380 nan 0.000 0.424 525 Q N -0.855 118.939 119.800 -0.011 0.000 2.167 525 Q HA 0.007 4.347 4.340 -0.000 0.000 0.202 525 Q C 1.754 177.761 176.000 0.012 0.000 0.970 525 Q CA 1.233 57.032 55.803 -0.007 0.000 0.855 525 Q CB -0.162 28.561 28.738 -0.026 0.000 0.911 525 Q HN 0.542 nan 8.270 nan 0.000 0.438 526 A N 0.803 123.636 122.820 0.021 0.000 1.969 526 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 526 A C 1.933 179.554 177.584 0.061 0.000 1.169 526 A CA 1.353 53.426 52.037 0.059 0.000 0.635 526 A CB -0.351 18.714 19.000 0.108 0.000 0.810 526 A HN 0.296 nan 8.150 nan 0.000 0.445 527 K N -0.465 119.964 120.400 0.049 0.000 2.025 527 K HA -0.085 4.234 4.320 -0.000 0.000 0.207 527 K C 2.060 178.689 176.600 0.049 0.000 1.049 527 K CA 1.326 57.641 56.287 0.046 0.000 0.933 527 K CB -0.554 31.968 32.500 0.036 0.000 0.714 527 K HN 0.354 nan 8.250 nan 0.000 0.438 528 G N 0.411 109.238 108.800 0.044 0.000 2.450 528 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 528 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 528 G C 1.528 176.476 174.900 0.081 0.000 1.130 528 G CA 1.003 46.133 45.100 0.050 0.000 0.760 528 G HN 0.457 nan 8.290 nan 0.000 0.557 529 A N 1.614 124.482 122.820 0.080 0.000 1.877 529 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 529 A C 2.383 180.053 177.584 0.143 0.000 1.186 529 A CA 1.965 54.072 52.037 0.117 0.000 0.620 529 A CB -0.417 18.639 19.000 0.094 0.000 0.822 529 A HN 0.519 nan 8.150 nan 0.000 0.443 530 R N -0.268 120.291 120.500 0.098 0.000 2.148 530 R HA 0.135 4.475 4.340 -0.000 0.000 0.223 530 R C 1.712 178.053 176.300 0.069 0.000 1.088 530 R CA 1.289 57.435 56.100 0.075 0.000 0.985 530 R CB -0.642 29.687 30.300 0.047 0.000 0.880 530 R HN 0.415 nan 8.270 nan 0.000 0.451 531 L N 0.521 121.791 121.223 0.078 0.000 2.131 531 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 531 L C 2.707 179.637 176.870 0.100 0.000 1.092 531 L CA 1.620 56.503 54.840 0.072 0.000 0.759 531 L CB -0.607 41.492 42.059 0.066 0.000 0.903 531 L HN 0.355 nan 8.230 nan 0.000 0.435 532 H N 0.481 119.575 119.070 0.039 0.000 2.326 532 H HA -0.114 4.442 4.556 -0.000 0.000 0.301 532 H C 2.119 177.484 175.328 0.061 0.000 1.081 532 H CA 1.743 57.817 56.048 0.044 0.000 1.334 532 H CB -0.027 29.760 29.762 0.042 0.000 1.385 532 H HN 0.189 nan 8.280 nan 0.000 0.504 533 I N -0.110 120.411 120.570 -0.081 0.000 2.252 533 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 533 I C 2.263 178.362 176.117 -0.030 0.000 1.102 533 I CA 0.933 62.188 61.300 -0.075 0.000 1.385 533 I CB -0.258 37.796 38.000 0.090 0.000 1.064 533 I HN 0.234 nan 8.210 nan 0.000 0.414 534 L N 0.624 121.844 121.223 -0.006 0.000 2.131 534 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 534 L C 2.667 179.532 176.870 -0.007 0.000 1.092 534 L CA 1.479 56.319 54.840 -0.001 0.000 0.759 534 L CB -1.013 41.050 42.059 0.006 0.000 0.903 534 L HN 0.330 nan 8.230 nan 0.000 0.435 535 G N -0.538 108.250 108.800 -0.019 0.000 2.418 535 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 535 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 535 G C 1.539 176.423 174.900 -0.028 0.000 1.158 535 G CA 0.970 46.062 45.100 -0.013 0.000 0.771 535 G HN 0.224 nan 8.290 nan 0.000 0.545 536 V N 0.811 120.681 119.914 -0.074 0.000 2.453 536 V HA -0.102 4.017 4.120 -0.000 0.000 0.247 536 V C 2.825 178.920 176.094 0.001 0.000 1.048 536 V CA 1.743 64.011 62.300 -0.054 0.000 1.049 536 V CB -0.376 31.379 31.823 -0.113 0.000 0.672 536 V HN 0.340 nan 8.190 nan 0.000 0.457 537 M N -0.403 119.212 119.600 0.024 0.000 2.159 537 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 537 M C 2.178 178.493 176.300 0.025 0.000 1.063 537 M CA 1.760 57.089 55.300 0.049 0.000 1.110 537 M CB -0.420 32.210 32.600 0.049 0.000 1.374 537 M HN 0.337 nan 8.290 nan 0.000 0.411 538 E N 0.031 120.237 120.200 0.011 0.000 2.150 538 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 538 E C 1.978 178.583 176.600 0.008 0.000 0.985 538 E CA 0.944 57.349 56.400 0.007 0.000 0.814 538 E CB -0.042 29.661 29.700 0.005 0.000 0.752 538 E HN 0.567 nan 8.360 nan 0.000 0.466 539 Q N -0.317 119.489 119.800 0.008 0.000 2.226 539 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 539 Q C 1.920 177.927 176.000 0.011 0.000 0.975 539 Q CA 1.129 56.937 55.803 0.008 0.000 0.866 539 Q CB 0.059 28.801 28.738 0.006 0.000 0.915 539 Q HN 0.224 nan 8.270 nan 0.000 0.440 540 A N 0.324 123.153 122.820 0.016 0.000 1.862 540 A HA 0.212 4.532 4.320 -0.000 0.000 0.211 540 A C 0.956 178.550 177.584 0.015 0.000 1.220 540 A CA 0.413 52.461 52.037 0.019 0.000 0.616 540 A CB 0.499 19.518 19.000 0.032 0.000 0.878 540 A HN 0.325 nan 8.150 nan 0.000 0.453 541 I N -0.397 120.182 120.570 0.015 0.000 2.649 541 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 541 I C -1.133 174.986 176.117 0.003 0.000 1.222 541 I CA -0.692 60.613 61.300 0.008 0.000 1.046 541 I CB 1.939 39.944 38.000 0.008 0.000 1.272 541 I HN 0.359 nan 8.210 nan 0.000 0.425 542 N N 5.682 124.381 118.700 -0.002 0.000 2.171 542 N HA 0.569 5.309 4.740 -0.000 0.000 0.212 542 N C -0.561 174.942 175.510 -0.013 0.000 1.184 542 N CA -0.070 52.976 53.050 -0.006 0.000 0.888 542 N CB 1.435 39.920 38.487 -0.003 0.000 1.038 542 N HN 0.516 nan 8.380 nan 0.000 0.517 543 A N -0.010 122.801 122.820 -0.016 0.000 2.589 543 A HA 0.675 4.995 4.320 -0.000 0.000 0.296 543 A C -2.881 174.686 177.584 -0.029 0.000 1.062 543 A CA -1.099 50.923 52.037 -0.024 0.000 0.686 543 A CB 0.491 19.480 19.000 -0.020 0.000 1.282 543 A HN 0.016 nan 8.150 nan 0.000 0.404 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.069 63.100 -0.051 0.000 0.800 544 P CB 0.000 31.651 31.700 -0.082 0.000 0.726