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 1d0y_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNXXXXXGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYLKEKINX DATA SEQUENCE XXXXXXLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA XXXXXFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEARE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.479 175.510 -0.052 0.000 1.280 2 N CA 0.000 53.071 53.050 0.035 0.000 0.885 2 N CB 0.000 38.626 38.487 0.231 0.000 1.341 3 P HA -0.143 nan 4.420 nan 0.000 0.219 3 P C 1.481 178.748 177.300 -0.055 0.000 1.151 3 P CA 1.042 64.120 63.100 -0.037 0.000 0.850 3 P CB 0.402 32.070 31.700 -0.054 0.000 0.784 4 I N -1.499 118.813 120.570 -0.430 0.000 2.454 4 I HA -0.210 3.960 4.170 0.001 0.000 0.254 4 I C 2.137 178.094 176.117 -0.266 0.000 1.156 4 I CA 1.515 62.476 61.300 -0.564 0.000 1.433 4 I CB -0.812 36.673 38.000 -0.858 0.000 1.082 4 I HN 0.155 nan 8.210 nan 0.000 0.432 5 H N -1.824 117.294 119.070 0.080 0.000 2.648 5 H HA 0.211 4.768 4.556 0.001 0.000 0.265 5 H C 0.268 175.593 175.328 -0.006 0.000 0.961 5 H CA -0.032 56.054 56.048 0.063 0.000 1.185 5 H CB -0.041 29.727 29.762 0.010 0.000 1.449 5 H HN 0.174 nan 8.280 nan 0.000 0.523 6 D N 1.616 122.052 120.400 0.061 0.000 2.411 6 D HA 0.078 4.718 4.640 0.001 0.000 0.225 6 D C 1.064 177.232 176.300 -0.221 0.000 1.156 6 D CA -0.349 53.634 54.000 -0.029 0.000 0.874 6 D CB 0.548 41.359 40.800 0.018 0.000 1.034 6 D HN 0.038 nan 8.370 nan 0.000 0.502 7 R N 1.652 121.888 120.500 -0.440 0.000 2.341 7 R HA -0.073 4.267 4.340 0.001 0.000 0.213 7 R C 1.504 177.645 176.300 -0.265 0.000 1.082 7 R CA 1.242 56.926 56.100 -0.693 0.000 1.017 7 R CB -0.272 29.741 30.300 -0.479 0.000 0.860 7 R HN 0.472 nan 8.270 nan 0.000 0.473 8 T N -2.161 112.317 114.554 -0.127 0.000 3.060 8 T HA 0.024 4.375 4.350 0.001 0.000 0.249 8 T C 0.968 175.670 174.700 0.002 0.000 1.079 8 T CA -0.054 62.015 62.100 -0.051 0.000 1.013 8 T CB 0.115 68.960 68.868 -0.038 0.000 0.975 8 T HN 0.143 nan 8.240 nan 0.000 0.518 9 S N 1.398 117.136 115.700 0.064 0.000 2.589 9 S HA 0.178 4.649 4.470 0.001 0.000 0.265 9 S C 0.487 175.161 174.600 0.124 0.000 1.342 9 S CA -0.448 57.828 58.200 0.126 0.000 1.005 9 S CB 0.597 63.930 63.200 0.222 0.000 0.909 9 S HN 0.143 nan 8.310 nan 0.000 0.555 10 D N -0.218 120.266 120.400 0.139 0.000 2.219 10 D HA -0.045 4.596 4.640 0.001 0.000 0.205 10 D C 1.410 177.833 176.300 0.204 0.000 0.970 10 D CA 1.045 55.133 54.000 0.147 0.000 0.851 10 D CB -0.469 40.530 40.800 0.331 0.000 0.943 10 D HN 0.741 nan 8.370 nan 0.000 0.488 11 Y N 0.913 121.290 120.300 0.129 0.000 2.128 11 Y HA -0.292 4.258 4.550 0.001 0.000 0.284 11 Y C 2.380 178.284 175.900 0.006 0.000 1.154 11 Y CA 1.893 60.038 58.100 0.075 0.000 1.149 11 Y CB -0.175 38.289 38.460 0.007 0.000 0.976 11 Y HN 0.148 nan 8.280 nan 0.000 0.505 12 H N -0.341 118.702 119.070 -0.045 0.000 2.363 12 H HA -0.109 4.447 4.556 0.001 0.000 0.301 12 H C 2.216 177.439 175.328 -0.176 0.000 1.074 12 H CA 1.716 57.684 56.048 -0.134 0.000 1.354 12 H CB 0.047 29.801 29.762 -0.013 0.000 1.397 12 H HN 0.267 nan 8.280 nan 0.000 0.516 13 K N 0.301 120.654 120.400 -0.079 0.000 2.032 13 K HA -0.174 4.146 4.320 0.001 0.000 0.209 13 K C 1.564 178.009 176.600 -0.258 0.000 1.048 13 K CA 1.575 57.698 56.287 -0.274 0.000 0.927 13 K CB -0.032 32.125 32.500 -0.571 0.000 0.712 13 K HN 0.182 nan 8.250 nan 0.000 0.441 14 Y N -0.832 119.410 120.300 -0.096 0.000 2.510 14 Y HA 0.185 4.736 4.550 0.001 0.000 0.273 14 Y C 1.155 176.950 175.900 -0.176 0.000 1.119 14 Y CA 0.376 58.403 58.100 -0.123 0.000 1.286 14 Y CB 0.477 38.885 38.460 -0.088 0.000 1.061 14 Y HN -0.035 nan 8.280 nan 0.000 0.542 15 L N -1.268 119.865 121.223 -0.150 0.000 3.039 15 L HA 0.239 4.580 4.340 0.001 0.000 0.269 15 L C 0.120 176.820 176.870 -0.283 0.000 1.169 15 L CA 0.072 54.782 54.840 -0.217 0.000 0.986 15 L CB 0.445 42.349 42.059 -0.258 0.000 1.377 15 L HN -0.262 nan 8.230 nan 0.000 0.575 16 K N 0.441 120.654 120.400 -0.313 0.000 2.350 16 K HA 0.525 4.845 4.320 0.001 0.000 0.241 16 K C -0.720 175.805 176.600 -0.126 0.000 0.994 16 K CA -0.836 55.302 56.287 -0.249 0.000 0.839 16 K CB 3.160 35.428 32.500 -0.388 0.000 1.244 16 K HN -0.360 nan 8.250 nan 0.000 0.443 17 V N 2.231 122.099 119.914 -0.077 0.000 2.508 17 V HA 0.048 4.169 4.120 0.001 0.000 0.281 17 V C 0.738 176.822 176.094 -0.017 0.000 1.041 17 V CA -0.258 62.014 62.300 -0.046 0.000 1.016 17 V CB 0.529 32.332 31.823 -0.033 0.000 0.984 17 V HN 0.549 nan 8.190 nan 0.000 0.478 18 K N 4.507 124.899 120.400 -0.014 0.000 2.491 18 K HA 0.014 4.335 4.320 0.001 0.000 0.279 18 K C 0.025 176.637 176.600 0.021 0.000 1.026 18 K CA 0.312 56.607 56.287 0.014 0.000 1.070 18 K CB 0.202 32.696 32.500 -0.010 0.000 0.887 18 K HN 0.666 nan 8.250 nan 0.000 0.481 19 Q N 2.021 121.851 119.800 0.049 0.000 2.303 19 Q HA 0.237 4.578 4.340 0.001 0.000 0.257 19 Q C 0.459 176.463 176.000 0.007 0.000 0.941 19 Q CA -0.698 55.125 55.803 0.033 0.000 0.931 19 Q CB 1.805 30.580 28.738 0.062 0.000 1.215 19 Q HN 0.771 nan 8.270 nan 0.000 0.437 20 G N 1.647 110.446 108.800 -0.002 0.000 2.516 20 G HA2 -0.046 3.915 3.960 0.001 0.000 0.276 20 G HA3 -0.046 3.915 3.960 0.001 0.000 0.276 20 G C 0.030 174.925 174.900 -0.008 0.000 1.390 20 G CA -0.329 44.766 45.100 -0.009 0.000 1.050 20 G HN 0.573 nan 8.290 nan 0.000 0.519 21 D N -0.859 119.535 120.400 -0.010 0.000 2.084 21 D HA -0.010 4.630 4.640 0.001 0.000 0.196 21 D C 1.725 178.022 176.300 -0.004 0.000 0.985 21 D CA 1.097 55.093 54.000 -0.008 0.000 0.826 21 D CB -0.197 40.598 40.800 -0.008 0.000 0.978 21 D HN 0.256 nan 8.370 nan 0.000 0.456 22 S N 0.057 115.756 115.700 -0.003 0.000 2.610 22 S HA 0.166 4.637 4.470 0.001 0.000 0.273 22 S C 0.294 174.893 174.600 -0.001 0.000 1.274 22 S CA -0.566 57.635 58.200 0.001 0.000 1.023 22 S CB 1.055 64.257 63.200 0.003 0.000 0.962 22 S HN 0.119 nan 8.310 nan 0.000 0.523 23 D N 2.235 122.638 120.400 0.004 0.000 2.479 23 D HA 0.118 4.758 4.640 0.001 0.000 0.221 23 D C 0.557 176.860 176.300 0.005 0.000 1.104 23 D CA -0.123 53.878 54.000 0.001 0.000 0.849 23 D CB -0.611 40.192 40.800 0.005 0.000 1.072 23 D HN 0.456 nan 8.370 nan 0.000 0.502 24 L N 1.087 122.324 121.223 0.023 0.000 2.573 24 L HA -0.037 4.304 4.340 0.001 0.000 0.290 24 L C 1.633 178.538 176.870 0.059 0.000 1.247 24 L CA -0.283 54.589 54.840 0.054 0.000 0.876 24 L CB 0.306 42.400 42.059 0.059 0.000 1.123 24 L HN -0.114 nan 8.230 nan 0.000 0.505 25 F N 2.647 122.550 119.950 -0.077 0.000 2.046 25 F HA -0.240 4.288 4.527 0.001 0.000 0.297 25 F C 2.521 178.291 175.800 -0.050 0.000 1.123 25 F CA 1.935 59.879 58.000 -0.093 0.000 1.199 25 F CB -0.129 38.792 39.000 -0.132 0.000 0.972 25 F HN 0.533 nan 8.300 nan 0.000 0.474 26 K N 0.015 120.480 120.400 0.109 0.000 2.117 26 K HA -0.306 4.014 4.320 0.001 0.000 0.215 26 K C 1.942 178.480 176.600 -0.104 0.000 1.053 26 K CA 2.084 58.378 56.287 0.012 0.000 0.935 26 K CB -0.598 31.936 32.500 0.058 0.000 0.719 26 K HN 0.246 nan 8.250 nan 0.000 0.460 27 L N 0.447 121.620 121.223 -0.084 0.000 2.011 27 L HA -0.263 4.078 4.340 0.001 0.000 0.225 27 L C 2.427 179.230 176.870 -0.112 0.000 1.084 27 L CA 2.590 57.382 54.840 -0.080 0.000 0.791 27 L CB -1.661 40.361 42.059 -0.062 0.000 0.898 27 L HN 0.443 nan 8.230 nan 0.000 0.440 28 T N -3.847 110.598 114.554 -0.182 0.000 3.194 28 T HA 0.154 4.505 4.350 0.001 0.000 0.251 28 T C 0.656 175.237 174.700 -0.198 0.000 1.132 28 T CA -0.334 61.661 62.100 -0.175 0.000 1.028 28 T CB -0.787 67.969 68.868 -0.187 0.000 0.976 28 T HN -0.040 nan 8.240 nan 0.000 0.535 29 V N 1.847 121.630 119.914 -0.218 0.000 2.740 29 V HA 0.472 4.593 4.120 0.001 0.000 0.303 29 V C 0.456 176.512 176.094 -0.064 0.000 1.054 29 V CA 0.069 62.266 62.300 -0.171 0.000 1.106 29 V CB 1.048 32.787 31.823 -0.140 0.000 0.957 29 V HN 0.579 nan 8.190 nan 0.000 0.486 30 S N 1.051 116.735 115.700 -0.027 0.000 2.560 30 S HA 0.263 4.734 4.470 0.001 0.000 0.283 30 S C 0.243 174.859 174.600 0.027 0.000 1.141 30 S CA -0.426 57.784 58.200 0.015 0.000 0.902 30 S CB 1.502 64.730 63.200 0.045 0.000 1.104 30 S HN 0.888 nan 8.310 nan 0.000 0.454 31 D N 2.865 123.278 120.400 0.022 0.000 2.117 31 D HA -0.056 4.584 4.640 0.001 0.000 0.198 31 D C 0.167 176.456 176.300 -0.019 0.000 0.982 31 D CA 0.990 54.995 54.000 0.009 0.000 0.828 31 D CB -0.480 40.322 40.800 0.003 0.000 0.967 31 D HN 0.449 nan 8.370 nan 0.000 0.464 32 K N 0.647 121.028 120.400 -0.032 0.000 2.504 32 K HA 0.076 4.397 4.320 0.001 0.000 0.278 32 K C 0.280 176.767 176.600 -0.188 0.000 1.025 32 K CA 0.549 56.739 56.287 -0.162 0.000 1.093 32 K CB 0.491 32.938 32.500 -0.088 0.000 0.873 32 K HN 0.054 nan 8.250 nan 0.000 0.483 33 R N 3.232 123.482 120.500 -0.416 0.000 2.476 33 R HA 0.275 4.615 4.340 0.001 0.000 0.305 33 R C -0.897 175.106 176.300 -0.494 0.000 0.965 33 R CA -0.706 55.227 56.100 -0.278 0.000 0.867 33 R CB 1.013 31.219 30.300 -0.157 0.000 1.176 33 R HN 0.517 nan 8.270 nan 0.000 0.447 34 Y N 1.898 122.040 120.300 -0.264 0.000 2.596 34 Y HA 0.590 5.141 4.550 0.001 0.000 0.326 34 Y C 0.510 176.072 175.900 -0.563 0.000 1.167 34 Y CA -0.943 56.920 58.100 -0.394 0.000 1.246 34 Y CB 1.601 39.794 38.460 -0.444 0.000 1.347 34 Y HN 0.278 nan 8.280 nan 0.000 0.515 35 I N -0.090 120.205 120.570 -0.459 0.000 2.894 35 I HA 0.257 4.427 4.170 0.001 0.000 0.302 35 I C -1.844 173.938 176.117 -0.558 0.000 1.188 35 I CA -1.073 59.878 61.300 -0.582 0.000 1.014 35 I CB 2.107 39.732 38.000 -0.626 0.000 1.242 35 I HN 0.689 nan 8.210 nan 0.000 0.430 36 W N 6.632 127.807 121.300 -0.209 0.000 2.349 36 W HA 0.444 5.104 4.660 0.001 0.000 0.309 36 W C -0.804 175.739 176.519 0.040 0.000 1.083 36 W CA -0.576 56.688 57.345 -0.136 0.000 1.224 36 W CB 1.033 30.342 29.460 -0.251 0.000 1.256 36 W HN 0.311 nan 8.180 nan 0.000 0.461 37 Y N 0.035 120.484 120.300 0.249 0.000 2.545 37 Y HA 0.519 5.069 4.550 0.001 0.000 0.348 37 Y C -0.824 175.159 175.900 0.139 0.000 1.002 37 Y CA -2.074 56.108 58.100 0.135 0.000 1.039 37 Y CB 0.971 39.386 38.460 -0.074 0.000 1.271 37 Y HN 0.375 nan 8.280 nan 0.000 0.467 38 N N 5.059 123.797 118.700 0.064 0.000 2.439 38 N HA 0.208 4.949 4.740 0.001 0.000 0.243 38 N C -2.058 173.525 175.510 0.122 0.000 1.088 38 N CA -1.631 51.315 53.050 -0.174 0.000 0.940 38 N CB 0.818 39.178 38.487 -0.211 0.000 1.180 38 N HN 0.536 nan 8.380 nan 0.000 0.505 39 P HA -0.130 nan 4.420 nan 0.000 0.231 39 P C -0.816 176.587 177.300 0.171 0.000 1.154 39 P CA 1.367 64.637 63.100 0.283 0.000 0.762 39 P CB 0.303 32.076 31.700 0.122 0.000 0.790 40 D N -1.381 119.068 120.400 0.081 0.000 2.127 40 D HA 0.042 4.682 4.640 0.001 0.000 0.167 40 D C -2.687 173.602 176.300 -0.018 0.000 1.210 40 D CA -0.791 53.227 54.000 0.031 0.000 0.976 40 D CB 1.540 42.346 40.800 0.010 0.000 1.975 40 D HN -0.109 nan 8.370 nan 0.000 0.527 41 P HA -0.037 nan 4.420 nan 0.000 0.296 41 P C 0.695 177.971 177.300 -0.040 0.000 1.447 41 P CA 0.384 63.459 63.100 -0.042 0.000 0.750 41 P CB -0.034 31.653 31.700 -0.022 0.000 1.451 42 K N 0.086 120.465 120.400 -0.035 0.000 2.469 42 K HA 0.139 4.460 4.320 0.001 0.000 0.201 42 K C 0.031 176.601 176.600 -0.050 0.000 1.028 42 K CA 0.322 56.590 56.287 -0.031 0.000 1.170 42 K CB 0.410 32.901 32.500 -0.015 0.000 0.874 42 K HN 0.310 nan 8.250 nan 0.000 0.507 43 E N -0.646 119.509 120.200 -0.075 0.000 2.398 43 E HA 0.098 4.449 4.350 0.001 0.000 0.280 43 E C -0.768 175.739 176.600 -0.155 0.000 1.122 43 E CA -0.524 55.811 56.400 -0.109 0.000 0.873 43 E CB 0.960 30.586 29.700 -0.122 0.000 1.294 43 E HN 0.071 nan 8.360 nan 0.000 0.435 44 R N -0.417 119.972 120.500 -0.185 0.000 2.544 44 R HA 0.403 4.743 4.340 0.001 0.000 0.426 44 R C -0.454 175.653 176.300 -0.322 0.000 0.943 44 R CA -0.189 55.761 56.100 -0.250 0.000 1.162 44 R CB 0.284 30.496 30.300 -0.146 0.000 1.588 44 R HN 0.222 nan 8.270 nan 0.000 0.563 45 D N -0.571 119.652 120.400 -0.295 0.000 2.516 45 D HA 0.122 4.763 4.640 0.001 0.000 0.241 45 D C -0.696 175.532 176.300 -0.119 0.000 1.246 45 D CA 0.016 53.934 54.000 -0.137 0.000 0.808 45 D CB 1.264 41.979 40.800 -0.142 0.000 1.147 45 D HN 0.105 nan 8.370 nan 0.000 0.527 46 S N 0.024 115.567 115.700 -0.261 0.000 2.462 46 S HA 0.627 5.097 4.470 0.001 0.000 0.294 46 S C -1.130 173.291 174.600 -0.297 0.000 1.144 46 S CA -0.213 57.890 58.200 -0.161 0.000 1.088 46 S CB 0.562 63.690 63.200 -0.120 0.000 1.009 46 S HN 0.013 nan 8.310 nan 0.000 0.484 47 Y N 1.253 121.472 120.300 -0.136 0.000 2.597 47 Y HA 0.531 5.082 4.550 0.001 0.000 0.340 47 Y C 0.015 175.812 175.900 -0.171 0.000 1.097 47 Y CA -1.079 56.925 58.100 -0.161 0.000 1.037 47 Y CB 1.538 39.933 38.460 -0.109 0.000 1.305 47 Y HN 0.447 nan 8.280 nan 0.000 0.463 48 E N 0.300 120.396 120.200 -0.173 0.000 2.392 48 E HA 0.368 4.719 4.350 0.001 0.000 0.269 48 E C -1.493 174.980 176.600 -0.212 0.000 0.924 48 E CA -0.813 55.450 56.400 -0.228 0.000 0.784 48 E CB 2.817 32.267 29.700 -0.416 0.000 1.292 48 E HN 0.646 nan 8.360 nan 0.000 0.447 49 C N 1.213 120.478 119.300 -0.059 0.000 2.255 49 C HA 0.794 5.254 4.460 0.001 0.000 0.326 49 C C 0.404 175.436 174.990 0.070 0.000 1.258 49 C CA -0.043 58.846 59.018 -0.216 0.000 1.676 49 C CB -0.964 26.468 27.740 -0.513 0.000 2.314 49 C HN 0.652 nan 8.230 nan 0.000 0.509 50 G N 4.395 113.267 108.800 0.120 0.000 2.420 50 G HA2 0.523 4.483 3.960 0.001 0.000 0.331 50 G HA3 0.523 4.483 3.960 0.001 0.000 0.331 50 G C -1.021 173.937 174.900 0.097 0.000 1.168 50 G CA -0.268 44.996 45.100 0.273 0.000 0.936 50 G HN 0.958 nan 8.290 nan 0.000 0.479 51 E N 1.854 122.122 120.200 0.113 0.000 2.283 51 E HA 0.292 4.642 4.350 0.001 0.000 0.278 51 E C -0.419 176.128 176.600 -0.089 0.000 1.027 51 E CA -0.666 55.599 56.400 -0.226 0.000 0.843 51 E CB 0.896 30.348 29.700 -0.414 0.000 1.062 51 E HN 0.304 nan 8.360 nan 0.000 0.401 52 I N 4.821 125.277 120.570 -0.190 0.000 2.471 52 I HA -0.037 4.134 4.170 0.001 0.000 0.286 52 I C 1.082 177.163 176.117 -0.060 0.000 1.079 52 I CA -0.098 61.172 61.300 -0.050 0.000 1.398 52 I CB 1.179 39.101 38.000 -0.129 0.000 1.403 52 I HN 0.557 nan 8.210 nan 0.000 0.530 53 V N 2.055 121.970 119.914 0.001 0.000 3.605 53 V HA 0.392 4.513 4.120 0.001 0.000 0.284 53 V C 0.419 176.513 176.094 0.001 0.000 1.386 53 V CA 0.479 62.767 62.300 -0.019 0.000 1.053 53 V CB -0.522 31.286 31.823 -0.025 0.000 0.857 53 V HN 0.817 nan 8.190 nan 0.000 0.436 54 S N 0.099 115.822 115.700 0.037 0.000 2.688 54 S HA 0.576 5.046 4.470 0.001 0.000 0.269 54 S C -1.418 173.241 174.600 0.098 0.000 1.060 54 S CA -0.043 58.184 58.200 0.046 0.000 0.844 54 S CB 1.616 64.822 63.200 0.010 0.000 1.095 54 S HN 1.027 nan 8.310 nan 0.000 0.466 55 E N -0.226 120.011 120.200 0.061 0.000 2.407 55 E HA 0.670 5.021 4.350 0.001 0.000 0.279 55 E C -1.037 175.546 176.600 -0.028 0.000 1.012 55 E CA -0.997 55.421 56.400 0.031 0.000 0.800 55 E CB 1.445 31.167 29.700 0.036 0.000 1.276 55 E HN 0.966 nan 8.360 nan 0.000 0.452 56 T N -1.906 112.602 114.554 -0.077 0.000 2.926 56 T HA 0.336 4.687 4.350 0.001 0.000 0.289 56 T C 1.028 175.654 174.700 -0.123 0.000 1.054 56 T CA -0.191 61.862 62.100 -0.078 0.000 1.015 56 T CB 1.345 70.172 68.868 -0.068 0.000 1.167 56 T HN 0.535 nan 8.240 nan 0.000 0.526 57 S N 0.488 116.132 115.700 -0.093 0.000 2.461 57 S HA -0.167 4.303 4.470 0.001 0.000 0.246 57 S C 1.160 175.685 174.600 -0.126 0.000 1.007 57 S CA 1.489 59.632 58.200 -0.095 0.000 0.976 57 S CB -0.611 62.552 63.200 -0.061 0.000 0.763 57 S HN 0.938 nan 8.310 nan 0.000 0.508 58 D N -0.168 120.147 120.400 -0.141 0.000 2.502 58 D HA 0.144 4.784 4.640 0.001 0.000 0.232 58 D C 0.482 176.665 176.300 -0.195 0.000 1.137 58 D CA 0.461 54.375 54.000 -0.143 0.000 0.827 58 D CB 0.290 41.039 40.800 -0.085 0.000 1.141 58 D HN 0.455 nan 8.370 nan 0.000 0.517 59 S N -0.614 114.944 115.700 -0.237 0.000 2.570 59 S HA 0.621 5.092 4.470 0.001 0.000 0.270 59 S C -1.411 173.046 174.600 -0.239 0.000 1.149 59 S CA -0.840 57.226 58.200 -0.224 0.000 0.837 59 S CB 1.083 64.242 63.200 -0.068 0.000 1.124 59 S HN -0.025 nan 8.310 nan 0.000 0.465 60 F N 0.862 120.836 119.950 0.040 0.000 2.457 60 F HA 0.734 5.262 4.527 0.001 0.000 0.330 60 F C 0.908 176.736 175.800 0.046 0.000 1.069 60 F CA -0.638 57.393 58.000 0.053 0.000 1.009 60 F CB 1.918 40.974 39.000 0.094 0.000 1.276 60 F HN 0.553 nan 8.300 nan 0.000 0.492 61 T N 2.061 116.771 114.554 0.260 0.000 2.928 61 T HA 0.560 4.911 4.350 0.001 0.000 0.296 61 T C -1.293 173.432 174.700 0.043 0.000 1.000 61 T CA -0.494 61.619 62.100 0.023 0.000 0.989 61 T CB 0.760 69.608 68.868 -0.033 0.000 1.005 61 T HN 0.427 nan 8.240 nan 0.000 0.442 62 F N 0.354 120.272 119.950 -0.052 0.000 2.620 62 F HA 0.897 5.425 4.527 0.001 0.000 0.320 62 F C -0.357 175.373 175.800 -0.117 0.000 1.069 62 F CA -1.569 56.374 58.000 -0.095 0.000 0.953 62 F CB 1.131 40.061 39.000 -0.116 0.000 1.322 62 F HN 0.187 nan 8.300 nan 0.000 0.479 63 K N 0.285 120.772 120.400 0.145 0.000 2.098 63 K HA 0.616 4.937 4.320 0.001 0.000 0.244 63 K C -0.058 176.664 176.600 0.203 0.000 1.014 63 K CA -0.243 56.075 56.287 0.051 0.000 0.917 63 K CB 1.363 33.895 32.500 0.053 0.000 1.072 63 K HN 0.926 nan 8.250 nan 0.000 0.477 64 T N -2.957 111.652 114.554 0.091 0.000 2.870 64 T HA 0.392 4.742 4.350 0.001 0.000 0.277 64 T C 1.502 176.366 174.700 0.275 0.000 1.000 64 T CA -0.349 61.873 62.100 0.203 0.000 0.982 64 T CB 0.364 69.266 68.868 0.057 0.000 1.249 64 T HN 0.252 nan 8.240 nan 0.000 0.589 65 V N 0.929 121.055 119.914 0.353 0.000 2.261 65 V HA -0.129 3.992 4.120 0.001 0.000 0.246 65 V C 2.256 178.434 176.094 0.140 0.000 1.047 65 V CA 2.591 65.021 62.300 0.216 0.000 1.015 65 V CB -1.230 30.704 31.823 0.185 0.000 0.642 65 V HN 0.979 nan 8.190 nan 0.000 0.446 66 D N 0.228 120.704 120.400 0.126 0.000 2.309 66 D HA 0.103 4.743 4.640 0.001 0.000 0.212 66 D C 1.506 177.841 176.300 0.057 0.000 0.968 66 D CA 1.402 55.450 54.000 0.079 0.000 0.882 66 D CB 0.039 40.880 40.800 0.069 0.000 0.918 66 D HN 1.161 nan 8.370 nan 0.000 0.503 67 G N 1.335 110.172 108.800 0.062 0.000 2.154 67 G HA2 -0.242 3.719 3.960 0.001 0.000 0.186 67 G HA3 -0.242 3.719 3.960 0.001 0.000 0.186 67 G C 0.003 174.899 174.900 -0.007 0.000 1.000 67 G CA -0.015 45.104 45.100 0.032 0.000 0.664 67 G HN 0.483 nan 8.290 nan 0.000 0.513 68 Q N 0.868 120.656 119.800 -0.021 0.000 2.267 68 Q HA 0.522 4.863 4.340 0.001 0.000 0.255 68 Q C -0.110 175.791 176.000 -0.165 0.000 0.923 68 Q CA 0.374 56.132 55.803 -0.075 0.000 0.925 68 Q CB 0.760 29.460 28.738 -0.063 0.000 1.195 68 Q HN 0.586 nan 8.270 nan 0.000 0.417 69 D N 1.883 122.171 120.400 -0.187 0.000 2.325 69 D HA 0.515 5.156 4.640 0.001 0.000 0.251 69 D C -0.117 175.942 176.300 -0.400 0.000 1.196 69 D CA 0.288 54.111 54.000 -0.295 0.000 0.866 69 D CB 0.486 41.164 40.800 -0.204 0.000 1.101 69 D HN 0.809 nan 8.370 nan 0.000 0.476 70 R N 1.031 121.081 120.500 -0.751 0.000 2.873 70 R HA 0.856 5.197 4.340 0.001 0.000 0.264 70 R C -0.223 175.604 176.300 -0.787 0.000 1.026 70 R CA -0.713 54.938 56.100 -0.748 0.000 1.002 70 R CB 0.981 30.862 30.300 -0.699 0.000 1.174 70 R HN 0.716 nan 8.270 nan 0.000 0.488 71 Q N 0.191 119.775 119.800 -0.360 0.000 2.375 71 Q HA 0.694 5.034 4.340 0.001 0.000 0.271 71 Q C -1.333 174.707 176.000 0.067 0.000 1.074 71 Q CA -1.056 54.659 55.803 -0.147 0.000 0.808 71 Q CB 2.561 31.246 28.738 -0.088 0.000 1.327 71 Q HN 0.599 nan 8.270 nan 0.000 0.441 72 V N 0.702 120.741 119.914 0.210 0.000 2.962 72 V HA 0.526 4.647 4.120 0.001 0.000 0.313 72 V C -0.784 175.428 176.094 0.196 0.000 1.099 72 V CA -1.242 61.223 62.300 0.275 0.000 0.971 72 V CB 1.882 33.957 31.823 0.420 0.000 1.028 72 V HN 0.531 nan 8.190 nan 0.000 0.430 73 K N 1.711 122.199 120.400 0.146 0.000 2.234 73 K HA 0.426 4.747 4.320 0.001 0.000 0.282 73 K C 0.937 177.604 176.600 0.112 0.000 1.039 73 K CA -0.215 56.114 56.287 0.071 0.000 0.928 73 K CB 1.127 33.656 32.500 0.050 0.000 1.039 73 K HN 0.633 nan 8.250 nan 0.000 0.470 74 K N 1.324 121.705 120.400 -0.032 0.000 2.074 74 K HA -0.186 4.134 4.320 0.001 0.000 0.209 74 K C 0.269 176.933 176.600 0.105 0.000 1.048 74 K CA 2.011 58.270 56.287 -0.046 0.000 0.926 74 K CB 0.096 32.396 32.500 -0.334 0.000 0.713 74 K HN 0.515 nan 8.250 nan 0.000 0.444 75 D N 0.334 120.761 120.400 0.044 0.000 2.352 75 D HA -0.047 4.593 4.640 0.001 0.000 0.232 75 D C 0.493 176.840 176.300 0.077 0.000 1.055 75 D CA 0.718 54.752 54.000 0.057 0.000 0.891 75 D CB 0.225 41.043 40.800 0.030 0.000 0.897 75 D HN 0.130 nan 8.370 nan 0.000 0.529 76 D N -0.434 120.029 120.400 0.105 0.000 2.500 76 D HA 0.171 4.812 4.640 0.001 0.000 0.217 76 D C 0.390 176.769 176.300 0.131 0.000 1.159 76 D CA -0.022 54.043 54.000 0.108 0.000 0.828 76 D CB 0.598 41.459 40.800 0.101 0.000 1.039 76 D HN 0.086 nan 8.370 nan 0.000 0.512 77 A N 0.918 123.838 122.820 0.166 0.000 2.371 77 A HA 0.343 4.663 4.320 0.001 0.000 0.257 77 A C 0.293 177.893 177.584 0.026 0.000 1.089 77 A CA -0.227 51.882 52.037 0.119 0.000 0.794 77 A CB 0.382 19.491 19.000 0.183 0.000 1.029 77 A HN -0.035 nan 8.150 nan 0.000 0.488 78 N N 2.595 121.287 118.700 -0.014 0.000 2.817 78 N HA 0.137 4.878 4.740 0.001 0.000 0.234 78 N C -0.803 174.617 175.510 -0.150 0.000 1.066 78 N CA -0.072 52.978 53.050 0.000 0.000 0.926 78 N CB 1.166 39.735 38.487 0.136 0.000 1.176 78 N HN 0.687 nan 8.380 nan 0.000 0.506 79 Q N 0.832 120.416 119.800 -0.360 0.000 2.352 79 Q HA 0.155 4.496 4.340 0.001 0.000 0.260 79 Q C 0.324 176.059 176.000 -0.441 0.000 0.976 79 Q CA 0.114 55.520 55.803 -0.662 0.000 0.881 79 Q CB 1.823 29.804 28.738 -1.262 0.000 1.235 79 Q HN 0.299 nan 8.270 nan 0.000 0.419 80 R N 2.295 122.518 120.500 -0.460 0.000 2.349 80 R HA 0.148 4.488 4.340 0.001 0.000 0.299 80 R C -0.373 175.998 176.300 0.118 0.000 1.027 80 R CA -0.454 55.471 56.100 -0.291 0.000 0.958 80 R CB 0.693 30.497 30.300 -0.828 0.000 1.047 80 R HN 0.631 nan 8.270 nan 0.000 0.468 81 N N 4.035 122.904 118.700 0.282 0.000 2.482 81 N HA 0.145 4.886 4.740 0.001 0.000 0.260 81 N C -2.337 173.315 175.510 0.236 0.000 1.236 81 N CA -1.032 52.143 53.050 0.209 0.000 0.938 81 N CB 0.748 39.198 38.487 -0.062 0.000 1.128 81 N HN 0.447 nan 8.380 nan 0.000 0.448 82 P HA -0.012 nan 4.420 nan 0.000 0.266 82 P C 1.272 178.783 177.300 0.352 0.000 1.195 82 P CA -0.335 62.955 63.100 0.317 0.000 0.768 82 P CB 0.556 32.473 31.700 0.362 0.000 0.838 83 I N 2.834 123.516 120.570 0.188 0.000 2.290 83 I HA -0.278 3.893 4.170 0.001 0.000 0.253 83 I C 1.986 178.161 176.117 0.096 0.000 1.112 83 I CA 1.650 63.027 61.300 0.129 0.000 1.377 83 I CB -0.662 37.368 38.000 0.050 0.000 1.060 83 I HN 0.389 nan 8.210 nan 0.000 0.428 84 K N -0.199 120.220 120.400 0.033 0.000 2.211 84 K HA -0.191 4.129 4.320 0.001 0.000 0.204 84 K C 1.972 178.491 176.600 -0.136 0.000 1.047 84 K CA 1.467 57.686 56.287 -0.113 0.000 0.935 84 K CB -0.350 31.998 32.500 -0.253 0.000 0.728 84 K HN 0.346 nan 8.250 nan 0.000 0.452 85 F N 1.225 121.205 119.950 0.049 0.000 2.661 85 F HA 0.007 4.534 4.527 0.001 0.000 0.298 85 F C 0.438 176.266 175.800 0.046 0.000 1.137 85 F CA -0.047 57.988 58.000 0.058 0.000 1.454 85 F CB -0.083 38.964 39.000 0.079 0.000 1.103 85 F HN -0.183 nan 8.300 nan 0.000 0.577 86 D N 0.590 121.105 120.400 0.193 0.000 2.349 86 D HA 0.347 4.987 4.640 0.001 0.000 0.266 86 D C 1.303 177.608 176.300 0.008 0.000 1.293 86 D CA 1.056 55.102 54.000 0.077 0.000 0.926 86 D CB 0.497 41.333 40.800 0.060 0.000 1.090 86 D HN 0.383 nan 8.370 nan 0.000 0.502 87 G N 1.236 110.026 108.800 -0.016 0.000 2.184 87 G HA2 -0.244 3.717 3.960 0.001 0.000 0.206 87 G HA3 -0.244 3.717 3.960 0.001 0.000 0.206 87 G C 0.474 175.381 174.900 0.011 0.000 0.995 87 G CA -0.082 45.002 45.100 -0.027 0.000 0.651 87 G HN 0.717 nan 8.290 nan 0.000 0.511 88 V N -0.851 119.098 119.914 0.059 0.000 2.953 88 V HA 0.300 4.421 4.120 0.001 0.000 0.304 88 V C 1.389 177.534 176.094 0.085 0.000 1.138 88 V CA 1.375 63.726 62.300 0.084 0.000 1.266 88 V CB 0.717 32.628 31.823 0.146 0.000 0.923 88 V HN 0.404 nan 8.190 nan 0.000 0.505 89 E N 0.849 121.113 120.200 0.106 0.000 2.358 89 E HA -0.004 4.347 4.350 0.001 0.000 0.195 89 E C 0.109 176.840 176.600 0.219 0.000 1.010 89 E CA 0.932 57.413 56.400 0.135 0.000 0.856 89 E CB 0.185 29.982 29.700 0.162 0.000 0.795 89 E HN 0.896 nan 8.360 nan 0.000 0.504 90 D N -0.674 119.856 120.400 0.217 0.000 2.757 90 D HA 0.110 4.750 4.640 0.001 0.000 0.249 90 D C 0.727 177.144 176.300 0.196 0.000 1.168 90 D CA -0.377 53.776 54.000 0.255 0.000 0.870 90 D CB 1.283 42.229 40.800 0.243 0.000 1.411 90 D HN -0.219 nan 8.370 nan 0.000 0.525 91 M N 1.633 121.345 119.600 0.187 0.000 2.460 91 M HA -0.062 4.419 4.480 0.001 0.000 0.263 91 M C 1.506 177.895 176.300 0.148 0.000 1.071 91 M CA 0.567 55.957 55.300 0.151 0.000 1.096 91 M CB -0.607 32.075 32.600 0.138 0.000 1.408 91 M HN 0.246 nan 8.290 nan 0.000 0.463 92 S N 0.675 116.470 115.700 0.158 0.000 2.500 92 S HA -0.096 4.375 4.470 0.001 0.000 0.239 92 S C 1.542 176.218 174.600 0.127 0.000 0.989 92 S CA 0.799 59.077 58.200 0.130 0.000 0.951 92 S CB -0.273 62.997 63.200 0.116 0.000 0.759 92 S HN 0.559 nan 8.310 nan 0.000 0.523 93 E N 0.515 120.814 120.200 0.164 0.000 2.435 93 E HA 0.106 4.456 4.350 0.001 0.000 0.195 93 E C -0.102 176.673 176.600 0.291 0.000 1.029 93 E CA 0.054 56.587 56.400 0.222 0.000 0.865 93 E CB 0.015 29.853 29.700 0.231 0.000 0.833 93 E HN 0.478 nan 8.360 nan 0.000 0.510 94 L N 0.639 121.959 121.223 0.161 0.000 2.397 94 L HA 0.050 4.391 4.340 0.001 0.000 0.271 94 L C 1.530 178.293 176.870 -0.177 0.000 1.148 94 L CA -0.195 54.619 54.840 -0.045 0.000 0.825 94 L CB 1.196 43.243 42.059 -0.019 0.000 1.117 94 L HN -0.029 nan 8.230 nan 0.000 0.456 95 S N 1.627 116.995 115.700 -0.553 0.000 2.356 95 S HA 0.044 4.515 4.470 0.001 0.000 0.219 95 S C 0.414 174.805 174.600 -0.347 0.000 1.036 95 S CA 0.382 58.282 58.200 -0.499 0.000 0.965 95 S CB 0.044 62.793 63.200 -0.752 0.000 0.864 95 S HN 0.425 nan 8.310 nan 0.000 0.471 96 Y N 1.311 121.484 120.300 -0.212 0.000 2.383 96 Y HA 0.447 4.998 4.550 0.001 0.000 0.344 96 Y C -0.159 175.711 175.900 -0.050 0.000 0.986 96 Y CA -0.605 57.439 58.100 -0.094 0.000 1.175 96 Y CB 0.652 39.069 38.460 -0.072 0.000 1.152 96 Y HN 0.073 nan 8.280 nan 0.000 0.511 97 L N 4.890 126.187 121.223 0.123 0.000 3.084 97 L HA 0.221 4.561 4.340 0.001 0.000 0.238 97 L C -0.291 176.626 176.870 0.078 0.000 1.327 97 L CA -0.476 54.415 54.840 0.084 0.000 1.094 97 L CB -0.715 41.386 42.059 0.071 0.000 1.477 97 L HN 0.673 nan 8.230 nan 0.000 0.514 98 N N -2.439 116.308 118.700 0.078 0.000 2.447 98 N HA 0.180 4.920 4.740 0.001 0.000 0.271 98 N C 0.668 176.172 175.510 -0.010 0.000 1.226 98 N CA -0.775 52.302 53.050 0.045 0.000 0.980 98 N CB 0.726 39.247 38.487 0.057 0.000 1.206 98 N HN 0.049 nan 8.380 nan 0.000 0.558 99 E N -0.484 119.695 120.200 -0.035 0.000 2.033 99 E HA -0.178 4.173 4.350 0.001 0.000 0.199 99 E C -0.825 175.636 176.600 -0.232 0.000 1.011 99 E CA 1.687 58.037 56.400 -0.083 0.000 0.815 99 E CB -1.183 28.493 29.700 -0.039 0.000 0.755 99 E HN 0.627 nan 8.360 nan 0.000 0.451 100 P HA -0.172 nan 4.420 nan 0.000 0.216 100 P C 1.094 177.914 177.300 -0.799 0.000 1.150 100 P CA 1.822 64.325 63.100 -0.994 0.000 0.837 100 P CB -0.042 30.640 31.700 -1.697 0.000 0.786 101 A N -0.238 122.331 122.820 -0.419 0.000 1.898 101 A HA -0.113 4.207 4.320 0.001 0.000 0.216 101 A C 2.437 179.995 177.584 -0.043 0.000 1.181 101 A CA 1.784 53.773 52.037 -0.080 0.000 0.620 101 A CB -1.649 17.452 19.000 0.168 0.000 0.819 101 A HN 0.049 nan 8.150 nan 0.000 0.442 102 V N -1.093 118.794 119.914 -0.045 0.000 2.255 102 V HA -0.258 3.862 4.120 0.001 0.000 0.247 102 V C 2.309 178.385 176.094 -0.029 0.000 1.051 102 V CA 2.240 64.535 62.300 -0.008 0.000 1.018 102 V CB -0.997 30.836 31.823 0.018 0.000 0.641 102 V HN 0.638 nan 8.190 nan 0.000 0.445 103 F N 0.862 120.691 119.950 -0.201 0.000 2.161 103 F HA -0.219 4.309 4.527 0.001 0.000 0.300 103 F C 2.416 178.100 175.800 -0.192 0.000 1.089 103 F CA 2.240 60.116 58.000 -0.206 0.000 1.282 103 F CB -0.544 38.302 39.000 -0.256 0.000 1.010 103 F HN 0.339 nan 8.300 nan 0.000 0.485 104 H N 0.126 118.925 119.070 -0.451 0.000 2.387 104 H HA -0.161 4.396 4.556 0.001 0.000 0.299 104 H C 2.255 177.399 175.328 -0.308 0.000 1.090 104 H CA 2.174 57.929 56.048 -0.487 0.000 1.332 104 H CB -0.717 28.755 29.762 -0.482 0.000 1.386 104 H HN 0.401 nan 8.280 nan 0.000 0.516 105 N N -0.307 118.225 118.700 -0.281 0.000 2.142 105 N HA -0.145 4.596 4.740 0.001 0.000 0.186 105 N C 1.942 177.300 175.510 -0.254 0.000 1.023 105 N CA 1.040 53.949 53.050 -0.235 0.000 0.852 105 N CB -0.085 38.371 38.487 -0.051 0.000 0.998 105 N HN 0.319 nan 8.380 nan 0.000 0.424 106 L N 2.232 123.294 121.223 -0.267 0.000 2.042 106 L HA -0.138 4.203 4.340 0.001 0.000 0.210 106 L C 2.711 179.391 176.870 -0.316 0.000 1.076 106 L CA 1.459 56.145 54.840 -0.257 0.000 0.749 106 L CB -0.612 41.277 42.059 -0.283 0.000 0.893 106 L HN 0.166 nan 8.230 nan 0.000 0.432 107 R N -1.152 119.018 120.500 -0.549 0.000 2.066 107 R HA -0.128 4.213 4.340 0.001 0.000 0.232 107 R C 2.112 178.258 176.300 -0.257 0.000 1.131 107 R CA 1.829 57.632 56.100 -0.495 0.000 0.955 107 R CB -0.381 29.466 30.300 -0.755 0.000 0.851 107 R HN 0.270 nan 8.270 nan 0.000 0.432 108 V N 1.462 121.173 119.914 -0.339 0.000 2.332 108 V HA -0.267 3.854 4.120 0.001 0.000 0.248 108 V C 2.564 178.572 176.094 -0.144 0.000 1.055 108 V CA 2.138 64.292 62.300 -0.244 0.000 1.038 108 V CB -0.556 31.077 31.823 -0.317 0.000 0.651 108 V HN 0.407 nan 8.190 nan 0.000 0.450 109 R N -1.456 118.961 120.500 -0.138 0.000 2.066 109 R HA -0.175 4.166 4.340 0.001 0.000 0.232 109 R C 2.350 178.618 176.300 -0.053 0.000 1.131 109 R CA 1.953 58.001 56.100 -0.086 0.000 0.955 109 R CB -0.531 29.724 30.300 -0.075 0.000 0.851 109 R HN 0.564 nan 8.270 nan 0.000 0.432 110 Y N 2.135 122.328 120.300 -0.177 0.000 2.256 110 Y HA -0.198 4.353 4.550 0.001 0.000 0.288 110 Y C 1.668 177.498 175.900 -0.116 0.000 1.155 110 Y CA 1.419 59.428 58.100 -0.153 0.000 1.203 110 Y CB -0.145 38.218 38.460 -0.161 0.000 0.980 110 Y HN 0.058 nan 8.280 nan 0.000 0.530 111 N N 0.225 118.910 118.700 -0.024 0.000 2.520 111 N HA -0.123 4.617 4.740 0.001 0.000 0.185 111 N C 0.572 176.019 175.510 -0.105 0.000 1.068 111 N CA 1.187 54.201 53.050 -0.059 0.000 0.911 111 N CB -0.158 38.309 38.487 -0.033 0.000 0.961 111 N HN 0.605 nan 8.380 nan 0.000 0.446 112 Q N 0.074 119.802 119.800 -0.121 0.000 2.175 112 Q HA 0.121 4.462 4.340 0.001 0.000 0.225 112 Q C -0.783 175.134 176.000 -0.139 0.000 0.837 112 Q CA -0.268 55.469 55.803 -0.109 0.000 1.032 112 Q CB 0.662 29.350 28.738 -0.084 0.000 1.137 112 Q HN 0.027 nan 8.270 nan 0.000 0.483 113 D N 0.191 120.450 120.400 -0.236 0.000 3.012 113 D HA -0.179 4.462 4.640 0.001 0.000 0.222 113 D C -0.740 175.430 176.300 -0.217 0.000 1.167 113 D CA 0.889 54.721 54.000 -0.279 0.000 0.854 113 D CB -1.265 39.432 40.800 -0.171 0.000 1.107 113 D HN 0.377 nan 8.370 nan 0.000 0.421 114 L N 1.427 122.543 121.223 -0.178 0.000 2.389 114 L HA 0.290 4.631 4.340 0.001 0.000 0.265 114 L C 2.140 178.931 176.870 -0.131 0.000 1.167 114 L CA -0.449 54.314 54.840 -0.128 0.000 1.045 114 L CB -0.064 41.942 42.059 -0.088 0.000 1.351 114 L HN 0.133 nan 8.230 nan 0.000 0.419 115 I N -1.938 118.494 120.570 -0.231 0.000 3.001 115 I HA -0.032 4.139 4.170 0.001 0.000 0.268 115 I C -0.042 175.858 176.117 -0.361 0.000 1.267 115 I CA 0.626 61.755 61.300 -0.285 0.000 1.472 115 I CB -0.272 37.451 38.000 -0.461 0.000 1.089 115 I HN 0.215 nan 8.210 nan 0.000 0.468 116 Y N 1.170 121.375 120.300 -0.157 0.000 2.352 116 Y HA 0.620 5.171 4.550 0.001 0.000 0.339 116 Y C -0.072 175.696 175.900 -0.220 0.000 0.992 116 Y CA -0.826 57.150 58.100 -0.206 0.000 1.100 116 Y CB 1.974 40.264 38.460 -0.283 0.000 1.192 116 Y HN -0.121 nan 8.280 nan 0.000 0.458 117 T N 2.155 116.673 114.554 -0.060 0.000 2.993 117 T HA 0.330 4.681 4.350 0.001 0.000 0.312 117 T C -1.358 173.289 174.700 -0.089 0.000 1.115 117 T CA -0.997 61.043 62.100 -0.101 0.000 1.027 117 T CB 0.748 69.604 68.868 -0.020 0.000 1.116 117 T HN 0.229 nan 8.240 nan 0.000 0.464 118 Y N 1.061 121.445 120.300 0.141 0.000 2.316 118 Y HA 0.580 5.131 4.550 0.001 0.000 0.324 118 Y C 1.075 177.080 175.900 0.175 0.000 1.267 118 Y CA -0.723 57.479 58.100 0.171 0.000 1.311 118 Y CB 1.293 39.847 38.460 0.157 0.000 1.267 118 Y HN 0.569 nan 8.280 nan 0.000 0.516 119 S N 1.462 117.420 115.700 0.429 0.000 2.383 119 S HA 0.516 4.986 4.470 0.001 0.000 0.196 119 S C 0.306 175.122 174.600 0.359 0.000 1.364 119 S CA 0.073 58.482 58.200 0.348 0.000 1.212 119 S CB -0.685 62.716 63.200 0.334 0.000 1.171 119 S HN 1.231 nan 8.310 nan 0.000 0.456 120 G N 3.980 112.935 108.800 0.258 0.000 2.596 120 G HA2 -0.300 3.661 3.960 0.001 0.000 0.304 120 G HA3 -0.300 3.661 3.960 0.001 0.000 0.304 120 G C 0.736 175.736 174.900 0.167 0.000 1.189 120 G CA 0.569 45.776 45.100 0.178 0.000 0.986 120 G HN 0.739 nan 8.290 nan 0.000 0.548 121 L N 0.424 121.715 121.223 0.112 0.000 2.376 121 L HA 0.262 4.602 4.340 0.001 0.000 0.219 121 L C 1.291 178.301 176.870 0.233 0.000 1.133 121 L CA 0.275 55.185 54.840 0.116 0.000 0.816 121 L CB -0.287 41.808 42.059 0.059 0.000 0.933 121 L HN 0.250 nan 8.230 nan 0.000 0.449 122 F N -0.439 119.724 119.950 0.355 0.000 2.378 122 F HA 0.344 4.871 4.527 0.001 0.000 0.325 122 F C 0.143 176.177 175.800 0.389 0.000 1.097 122 F CA -1.037 57.169 58.000 0.344 0.000 1.079 122 F CB 1.200 40.313 39.000 0.189 0.000 1.240 122 F HN -0.279 nan 8.300 nan 0.000 0.519 123 L N 2.948 124.528 121.223 0.595 0.000 2.272 123 L HA 0.589 4.929 4.340 0.001 0.000 0.289 123 L C -0.998 176.023 176.870 0.252 0.000 1.032 123 L CA -0.503 54.576 54.840 0.397 0.000 0.810 123 L CB 1.078 43.319 42.059 0.303 0.000 1.205 123 L HN 0.323 nan 8.230 nan 0.000 0.422 124 V N 5.034 125.036 119.914 0.147 0.000 2.435 124 V HA 0.839 4.960 4.120 0.001 0.000 0.290 124 V C 0.168 176.291 176.094 0.049 0.000 1.030 124 V CA -0.286 62.048 62.300 0.056 0.000 0.881 124 V CB 1.218 33.048 31.823 0.011 0.000 0.983 124 V HN 0.970 nan 8.190 nan 0.000 0.445 125 A N 4.870 127.698 122.820 0.012 0.000 2.335 125 A HA 0.794 5.115 4.320 0.001 0.000 0.304 125 A C -0.878 176.615 177.584 -0.152 0.000 1.118 125 A CA -0.495 51.496 52.037 -0.077 0.000 0.757 125 A CB 1.442 20.451 19.000 0.016 0.000 1.188 125 A HN 0.624 nan 8.150 nan 0.000 0.460 126 V N 3.251 123.052 119.914 -0.187 0.000 2.407 126 V HA 0.214 4.335 4.120 0.001 0.000 0.278 126 V C 0.490 176.495 176.094 -0.149 0.000 1.037 126 V CA -0.999 61.206 62.300 -0.157 0.000 0.900 126 V CB 1.276 32.994 31.823 -0.175 0.000 0.983 126 V HN 0.900 nan 8.190 nan 0.000 0.459 127 N N 7.521 126.079 118.700 -0.236 0.000 2.447 127 N HA 0.090 4.831 4.740 0.001 0.000 0.263 127 N C -1.439 173.925 175.510 -0.243 0.000 1.226 127 N CA -1.413 51.399 53.050 -0.397 0.000 0.906 127 N CB 1.553 39.577 38.487 -0.773 0.000 1.060 127 N HN 0.348 nan 8.380 nan 0.000 0.468 128 P HA 0.079 nan 4.420 nan 0.000 0.239 128 P C -0.126 177.179 177.300 0.009 0.000 1.188 128 P CA 0.262 63.318 63.100 -0.072 0.000 0.794 128 P CB 0.104 31.695 31.700 -0.181 0.000 0.937 129 F N -0.237 119.725 119.950 0.019 0.000 3.093 129 F HA -0.274 4.253 4.527 0.001 0.000 0.287 129 F C 0.603 176.397 175.800 -0.010 0.000 0.882 129 F CA 0.701 58.707 58.000 0.010 0.000 1.063 129 F CB -1.663 37.354 39.000 0.028 0.000 1.097 129 F HN 0.151 nan 8.300 nan 0.000 0.604 130 K N -1.127 119.326 120.400 0.087 0.000 2.597 130 K HA 0.623 4.944 4.320 0.001 0.000 0.282 130 K C -0.958 175.640 176.600 -0.004 0.000 0.975 130 K CA -1.365 54.948 56.287 0.044 0.000 0.867 130 K CB 1.374 33.886 32.500 0.019 0.000 1.465 130 K HN -0.149 nan 8.250 nan 0.000 0.417 131 R N 2.235 122.733 120.500 -0.003 0.000 2.205 131 R HA 0.346 4.687 4.340 0.001 0.000 0.342 131 R C -0.220 176.044 176.300 -0.061 0.000 1.058 131 R CA -0.391 55.705 56.100 -0.007 0.000 0.904 131 R CB -0.341 29.966 30.300 0.011 0.000 1.089 131 R HN 0.590 nan 8.270 nan 0.000 0.471 132 I N 5.616 126.128 120.570 -0.096 0.000 2.441 132 I HA 0.114 4.284 4.170 0.001 0.000 0.287 132 I C -1.362 174.568 176.117 -0.311 0.000 1.049 132 I CA -1.847 59.293 61.300 -0.266 0.000 1.381 132 I CB 1.258 39.093 38.000 -0.276 0.000 1.409 132 I HN 0.173 nan 8.210 nan 0.000 0.523 133 P HA 0.126 nan 4.420 nan 0.000 0.218 133 P C 0.353 177.464 177.300 -0.315 0.000 1.793 133 P CA 0.210 63.112 63.100 -0.330 0.000 0.941 133 P CB -0.598 30.913 31.700 -0.315 0.000 1.919 134 I N -4.384 115.934 120.570 -0.420 0.000 3.877 134 I HA 0.314 4.485 4.170 0.001 0.000 0.332 134 I C -0.430 175.432 176.117 -0.425 0.000 1.525 134 I CA -0.544 60.529 61.300 -0.378 0.000 1.146 134 I CB -0.151 37.571 38.000 -0.462 0.000 1.137 134 I HN -0.173 nan 8.210 nan 0.000 0.424 135 Y N 1.249 121.640 120.300 0.150 0.000 2.715 135 Y HA 0.261 4.812 4.550 0.001 0.000 0.255 135 Y C 1.341 177.463 175.900 0.370 0.000 1.139 135 Y CA -0.844 57.429 58.100 0.289 0.000 1.151 135 Y CB -0.102 38.455 38.460 0.162 0.000 1.201 135 Y HN 0.193 nan 8.280 nan 0.000 0.556 136 T N -3.260 111.513 114.554 0.364 0.000 2.788 136 T HA 0.052 4.403 4.350 0.001 0.000 0.287 136 T C 1.299 176.157 174.700 0.264 0.000 1.007 136 T CA -0.344 61.914 62.100 0.264 0.000 1.005 136 T CB 1.228 70.206 68.868 0.185 0.000 1.012 136 T HN 0.201 nan 8.240 nan 0.000 0.530 137 Q N 0.229 120.127 119.800 0.162 0.000 2.170 137 Q HA -0.133 4.208 4.340 0.001 0.000 0.203 137 Q C 1.898 177.958 176.000 0.100 0.000 0.976 137 Q CA 1.847 57.709 55.803 0.097 0.000 0.858 137 Q CB -0.471 28.298 28.738 0.052 0.000 0.907 137 Q HN 0.814 nan 8.270 nan 0.000 0.433 138 E N -0.864 119.408 120.200 0.120 0.000 2.150 138 E HA -0.115 4.236 4.350 0.001 0.000 0.193 138 E C 1.661 178.358 176.600 0.162 0.000 0.985 138 E CA 1.139 57.606 56.400 0.111 0.000 0.814 138 E CB -0.113 29.651 29.700 0.107 0.000 0.752 138 E HN 0.390 nan 8.360 nan 0.000 0.466 139 M N -0.236 119.521 119.600 0.262 0.000 2.236 139 M HA -0.047 4.433 4.480 0.001 0.000 0.266 139 M C 2.144 178.754 176.300 0.517 0.000 1.070 139 M CA 0.728 56.273 55.300 0.408 0.000 1.137 139 M CB -0.439 32.447 32.600 0.477 0.000 1.378 139 M HN 0.035 nan 8.290 nan 0.000 0.426 140 V N 1.298 121.418 119.914 0.342 0.000 2.252 140 V HA -0.310 3.810 4.120 0.001 0.000 0.249 140 V C 1.945 178.117 176.094 0.131 0.000 1.056 140 V CA 2.081 64.409 62.300 0.046 0.000 1.022 140 V CB -0.778 30.908 31.823 -0.229 0.000 0.641 140 V HN 0.389 nan 8.190 nan 0.000 0.445 141 D N -0.270 120.167 120.400 0.063 0.000 2.144 141 D HA -0.140 4.501 4.640 0.001 0.000 0.199 141 D C 1.969 178.267 176.300 -0.002 0.000 0.984 141 D CA 1.330 55.338 54.000 0.013 0.000 0.834 141 D CB -0.216 40.580 40.800 -0.007 0.000 0.955 141 D HN 0.435 nan 8.370 nan 0.000 0.465 142 I N -0.031 120.519 120.570 -0.032 0.000 2.493 142 I HA -0.217 3.954 4.170 0.001 0.000 0.254 142 I C 1.839 177.747 176.117 -0.349 0.000 1.160 142 I CA 0.733 61.876 61.300 -0.262 0.000 1.445 142 I CB -0.158 37.566 38.000 -0.460 0.000 1.086 142 I HN -0.126 nan 8.210 nan 0.000 0.433 143 F N 1.081 121.050 119.950 0.031 0.000 2.456 143 F HA 0.029 4.557 4.527 0.001 0.000 0.298 143 F C 1.190 177.056 175.800 0.110 0.000 1.104 143 F CA 0.254 58.292 58.000 0.063 0.000 1.435 143 F CB -0.437 38.593 39.000 0.049 0.000 1.078 143 F HN -0.186 nan 8.300 nan 0.000 0.546 144 K N 0.955 121.479 120.400 0.208 0.000 2.477 144 K HA 0.039 4.360 4.320 0.001 0.000 0.275 144 K C 1.326 177.987 176.600 0.102 0.000 1.054 144 K CA 0.810 57.185 56.287 0.147 0.000 1.135 144 K CB -0.442 32.084 32.500 0.044 0.000 0.854 144 K HN 0.404 nan 8.250 nan 0.000 0.484 145 G N 2.981 111.861 108.800 0.133 0.000 2.200 145 G HA2 -0.342 3.618 3.960 0.001 0.000 0.267 145 G HA3 -0.342 3.618 3.960 0.001 0.000 0.267 145 G C 0.012 174.950 174.900 0.064 0.000 0.993 145 G CA 0.258 45.411 45.100 0.089 0.000 0.701 145 G HN 0.606 nan 8.290 nan 0.000 0.524 146 R N 0.453 120.996 120.500 0.071 0.000 2.390 146 R HA 0.338 4.679 4.340 0.001 0.000 0.291 146 R C 0.987 177.329 176.300 0.069 0.000 1.070 146 R CA -0.530 55.596 56.100 0.043 0.000 1.014 146 R CB 0.708 31.002 30.300 -0.009 0.000 1.007 146 R HN 0.407 nan 8.270 nan 0.000 0.466 147 R N 1.575 122.105 120.500 0.050 0.000 2.707 147 R HA 0.072 4.413 4.340 0.001 0.000 0.270 147 R C 1.424 177.768 176.300 0.075 0.000 1.083 147 R CA -0.464 55.667 56.100 0.052 0.000 1.182 147 R CB 0.596 30.916 30.300 0.034 0.000 1.084 147 R HN 0.609 nan 8.270 nan 0.000 0.528 148 R N 1.697 122.231 120.500 0.056 0.000 2.113 148 R HA -0.254 4.086 4.340 0.001 0.000 0.244 148 R C 1.676 178.024 176.300 0.081 0.000 1.142 148 R CA 2.603 58.730 56.100 0.047 0.000 0.953 148 R CB -0.383 29.855 30.300 -0.104 0.000 0.860 148 R HN 0.852 nan 8.270 nan 0.000 0.438 149 N N -0.970 117.758 118.700 0.047 0.000 2.512 149 N HA -0.141 4.599 4.740 0.001 0.000 0.183 149 N C 1.264 176.824 175.510 0.084 0.000 1.073 149 N CA 0.673 53.762 53.050 0.065 0.000 0.911 149 N CB 0.049 38.560 38.487 0.040 0.000 0.964 149 N HN 0.381 nan 8.380 nan 0.000 0.447 150 E N 0.254 120.503 120.200 0.080 0.000 2.190 150 E HA 0.008 4.358 4.350 0.001 0.000 0.191 150 E C 0.451 177.088 176.600 0.061 0.000 0.978 150 E CA 0.518 56.954 56.400 0.060 0.000 0.839 150 E CB 0.554 30.275 29.700 0.034 0.000 0.787 150 E HN 0.387 nan 8.360 nan 0.000 0.473 151 V N -2.991 116.995 119.914 0.120 0.000 3.126 151 V HA 0.784 4.905 4.120 0.001 0.000 0.314 151 V C -0.013 176.259 176.094 0.296 0.000 1.138 151 V CA -1.105 61.291 62.300 0.161 0.000 1.034 151 V CB 1.279 33.121 31.823 0.031 0.000 1.075 151 V HN -0.001 nan 8.190 nan 0.000 0.442 152 A N 1.289 124.312 122.820 0.338 0.000 2.409 152 A HA 0.619 4.940 4.320 0.001 0.000 0.246 152 A C -2.314 175.459 177.584 0.315 0.000 1.099 152 A CA -0.805 51.379 52.037 0.245 0.000 0.789 152 A CB -0.993 18.064 19.000 0.094 0.000 1.053 152 A HN 0.831 nan 8.150 nan 0.000 0.503 153 P HA 0.311 nan 4.420 nan 0.000 0.271 153 P C -0.401 176.813 177.300 -0.142 0.000 1.216 153 P CA 0.707 63.709 63.100 -0.162 0.000 0.776 153 P CB 0.471 31.881 31.700 -0.483 0.000 0.881 154 H N 1.508 120.244 119.070 -0.555 0.000 3.020 154 H HA 0.084 4.640 4.556 0.001 0.000 0.303 154 H C 0.150 174.834 175.328 -1.073 0.000 1.332 154 H CA -0.523 54.854 56.048 -1.118 0.000 1.282 154 H CB 0.908 30.112 29.762 -0.931 0.000 1.928 154 H HN 0.208 nan 8.280 nan 0.000 0.519 155 I N 2.982 122.880 120.570 -1.120 0.000 2.454 155 I HA -0.122 4.048 4.170 0.001 0.000 0.254 155 I C 1.744 177.760 176.117 -0.168 0.000 1.156 155 I CA 1.294 62.341 61.300 -0.423 0.000 1.433 155 I CB -0.587 37.274 38.000 -0.233 0.000 1.082 155 I HN 0.548 nan 8.210 nan 0.000 0.432 156 F N 0.042 119.793 119.950 -0.332 0.000 2.186 156 F HA -0.211 4.316 4.527 0.001 0.000 0.299 156 F C 2.486 177.712 175.800 -0.957 0.000 1.090 156 F CA 0.413 57.831 58.000 -0.970 0.000 1.307 156 F CB -0.491 37.641 39.000 -1.447 0.000 1.019 156 F HN 0.171 nan 8.300 nan 0.000 0.489 157 A N 0.703 123.214 122.820 -0.514 0.000 1.858 157 A HA -0.196 4.124 4.320 0.001 0.000 0.216 157 A C 2.190 179.739 177.584 -0.060 0.000 1.190 157 A CA 1.253 53.228 52.037 -0.104 0.000 0.617 157 A CB -0.997 18.122 19.000 0.199 0.000 0.827 157 A HN 0.373 nan 8.150 nan 0.000 0.443 158 I N 0.198 120.741 120.570 -0.045 0.000 2.264 158 I HA -0.218 3.953 4.170 0.001 0.000 0.248 158 I C 2.361 178.387 176.117 -0.152 0.000 1.111 158 I CA 1.900 63.183 61.300 -0.028 0.000 1.382 158 I CB -0.334 37.706 38.000 0.066 0.000 1.060 158 I HN 0.306 nan 8.210 nan 0.000 0.418 159 S N 0.201 115.795 115.700 -0.178 0.000 2.368 159 S HA -0.248 4.223 4.470 0.001 0.000 0.225 159 S C 1.563 176.108 174.600 -0.092 0.000 1.030 159 S CA 1.771 59.883 58.200 -0.147 0.000 0.999 159 S CB -0.389 62.717 63.200 -0.156 0.000 0.844 159 S HN 0.534 nan 8.310 nan 0.000 0.459 160 D N 0.989 121.293 120.400 -0.161 0.000 2.092 160 D HA -0.105 4.536 4.640 0.001 0.000 0.193 160 D C 1.810 178.152 176.300 0.070 0.000 0.994 160 D CA 1.121 55.176 54.000 0.092 0.000 0.828 160 D CB -0.141 40.741 40.800 0.136 0.000 0.963 160 D HN 0.108 nan 8.370 nan 0.000 0.450 161 V N 0.528 120.435 119.914 -0.012 0.000 2.380 161 V HA -0.276 3.844 4.120 0.001 0.000 0.251 161 V C 2.365 178.394 176.094 -0.108 0.000 1.063 161 V CA 1.856 64.136 62.300 -0.033 0.000 1.055 161 V CB -0.764 31.045 31.823 -0.024 0.000 0.657 161 V HN 0.367 nan 8.190 nan 0.000 0.455 162 A N -1.212 121.457 122.820 -0.251 0.000 1.897 162 A HA -0.225 4.096 4.320 0.001 0.000 0.215 162 A C 2.145 179.679 177.584 -0.083 0.000 1.181 162 A CA 1.741 53.603 52.037 -0.292 0.000 0.620 162 A CB -0.722 18.028 19.000 -0.417 0.000 0.821 162 A HN 0.590 nan 8.150 nan 0.000 0.443 163 Y N 0.807 121.007 120.300 -0.167 0.000 2.181 163 Y HA -0.190 4.361 4.550 0.001 0.000 0.288 163 Y C 2.396 178.163 175.900 -0.222 0.000 1.146 163 Y CA 1.856 59.821 58.100 -0.226 0.000 1.164 163 Y CB -0.104 38.276 38.460 -0.134 0.000 0.982 163 Y HN 0.172 nan 8.280 nan 0.000 0.515 164 R N -0.533 119.875 120.500 -0.153 0.000 2.092 164 R HA -0.071 4.269 4.340 0.001 0.000 0.231 164 R C 2.450 178.615 176.300 -0.224 0.000 1.119 164 R CA 1.218 57.192 56.100 -0.209 0.000 0.970 164 R CB -1.172 29.088 30.300 -0.066 0.000 0.864 164 R HN 0.268 nan 8.270 nan 0.000 0.440 165 S N 1.214 116.822 115.700 -0.153 0.000 2.383 165 S HA -0.058 4.413 4.470 0.001 0.000 0.227 165 S C 1.829 176.305 174.600 -0.206 0.000 1.026 165 S CA 1.009 59.137 58.200 -0.120 0.000 0.981 165 S CB -0.085 63.112 63.200 -0.005 0.000 0.818 165 S HN 0.283 nan 8.310 nan 0.000 0.472 166 M N 1.094 120.521 119.600 -0.287 0.000 2.067 166 M HA -0.095 4.386 4.480 0.001 0.000 0.260 166 M C 1.758 177.745 176.300 -0.523 0.000 1.069 166 M CA 1.571 56.638 55.300 -0.388 0.000 1.117 166 M CB -0.301 32.017 32.600 -0.469 0.000 1.334 166 M HN 0.262 nan 8.290 nan 0.000 0.407 167 L N 0.102 120.975 121.223 -0.583 0.000 2.017 167 L HA -0.263 4.077 4.340 0.001 0.000 0.208 167 L C 2.030 178.669 176.870 -0.386 0.000 1.073 167 L CA 1.356 55.865 54.840 -0.552 0.000 0.745 167 L CB -1.039 40.671 42.059 -0.581 0.000 0.894 167 L HN 0.333 nan 8.230 nan 0.000 0.432 168 D N -0.355 119.868 120.400 -0.296 0.000 2.123 168 D HA -0.130 4.511 4.640 0.001 0.000 0.200 168 D C 1.482 177.678 176.300 -0.174 0.000 0.976 168 D CA 1.093 54.973 54.000 -0.200 0.000 0.831 168 D CB -0.198 40.517 40.800 -0.142 0.000 0.974 168 D HN 0.339 nan 8.370 nan 0.000 0.469 169 D N 0.214 120.505 120.400 -0.182 0.000 2.360 169 D HA 0.015 4.656 4.640 0.001 0.000 0.210 169 D C 0.102 176.304 176.300 -0.163 0.000 1.047 169 D CA -0.001 53.919 54.000 -0.133 0.000 0.854 169 D CB 0.395 41.142 40.800 -0.089 0.000 0.936 169 D HN -0.019 nan 8.370 nan 0.000 0.514 170 R N 0.997 121.313 120.500 -0.306 0.000 3.264 170 R HA -0.223 4.118 4.340 0.001 0.000 0.251 170 R C -0.037 176.147 176.300 -0.194 0.000 0.971 170 R CA 0.404 56.223 56.100 -0.469 0.000 0.658 170 R CB -2.956 27.195 30.300 -0.248 0.000 1.095 170 R HN 0.427 nan 8.270 nan 0.000 0.443 171 Q N 0.652 120.332 119.800 -0.201 0.000 2.331 171 Q HA 0.328 4.669 4.340 0.001 0.000 0.272 171 Q C -0.629 175.326 176.000 -0.076 0.000 1.062 171 Q CA -0.822 54.958 55.803 -0.039 0.000 0.806 171 Q CB 1.606 30.316 28.738 -0.047 0.000 1.312 171 Q HN 0.165 nan 8.270 nan 0.000 0.431 172 N N 2.444 121.095 118.700 -0.083 0.000 2.381 172 N HA 0.075 4.816 4.740 0.001 0.000 0.241 172 N C -0.616 174.734 175.510 -0.266 0.000 1.279 172 N CA 0.456 53.284 53.050 -0.370 0.000 0.896 172 N CB 0.654 38.636 38.487 -0.842 0.000 1.118 172 N HN 0.536 nan 8.380 nan 0.000 0.438 173 Q N -0.290 119.350 119.800 -0.267 0.000 2.528 173 Q HA 0.601 4.942 4.340 0.001 0.000 0.289 173 Q C -0.788 175.267 176.000 0.091 0.000 1.091 173 Q CA -0.816 54.981 55.803 -0.011 0.000 0.797 173 Q CB 1.987 30.787 28.738 0.103 0.000 1.466 173 Q HN 0.722 nan 8.270 nan 0.000 0.436 174 S N -0.085 115.731 115.700 0.193 0.000 2.546 174 S HA 0.740 5.210 4.470 0.001 0.000 0.274 174 S C -1.209 173.520 174.600 0.215 0.000 1.121 174 S CA -0.752 57.592 58.200 0.241 0.000 0.887 174 S CB 1.081 64.444 63.200 0.271 0.000 1.094 174 S HN 0.333 nan 8.310 nan 0.000 0.474 175 L N 2.106 123.438 121.223 0.182 0.000 2.319 175 L HA 0.557 4.898 4.340 0.001 0.000 0.281 175 L C -1.239 175.708 176.870 0.128 0.000 1.005 175 L CA -0.372 54.550 54.840 0.137 0.000 0.828 175 L CB 1.391 43.520 42.059 0.117 0.000 1.227 175 L HN 0.652 nan 8.230 nan 0.000 0.415 176 L N 5.473 126.744 121.223 0.080 0.000 2.262 176 L HA 0.489 4.830 4.340 0.001 0.000 0.288 176 L C -0.376 176.597 176.870 0.172 0.000 1.035 176 L CA 0.176 55.101 54.840 0.141 0.000 0.820 176 L CB 0.876 43.039 42.059 0.174 0.000 1.204 176 L HN 0.407 nan 8.230 nan 0.000 0.424 177 I N 3.363 124.015 120.570 0.138 0.000 2.359 177 I HA 0.462 4.632 4.170 0.001 0.000 0.284 177 I C 0.180 176.346 176.117 0.081 0.000 1.018 177 I CA -0.242 61.127 61.300 0.115 0.000 1.173 177 I CB 1.122 39.179 38.000 0.094 0.000 1.326 177 I HN 0.621 nan 8.210 nan 0.000 0.462 178 T N 1.724 116.323 114.554 0.075 0.000 2.864 178 T HA 0.985 5.336 4.350 0.001 0.000 0.289 178 T C -0.122 174.587 174.700 0.016 0.000 1.082 178 T CA -0.665 61.455 62.100 0.034 0.000 1.009 178 T CB 2.510 71.390 68.868 0.021 0.000 1.234 178 T HN 0.951 nan 8.240 nan 0.000 0.526 179 G N 0.010 108.812 108.800 0.004 0.000 2.369 179 G HA2 0.284 4.245 3.960 0.001 0.000 0.307 179 G HA3 0.284 4.245 3.960 0.001 0.000 0.307 179 G C -1.315 173.599 174.900 0.023 0.000 1.327 179 G CA -0.954 44.150 45.100 0.006 0.000 0.963 179 G HN 0.915 nan 8.290 nan 0.000 0.590 180 E N -0.202 120.020 120.200 0.037 0.000 2.410 180 E HA 0.385 4.735 4.350 0.001 0.000 0.255 180 E C 0.698 177.339 176.600 0.068 0.000 1.194 180 E CA 0.253 56.695 56.400 0.070 0.000 0.955 180 E CB 0.757 30.506 29.700 0.081 0.000 0.988 180 E HN 0.521 nan 8.360 nan 0.000 0.461 181 S N -0.029 115.729 115.700 0.097 0.000 2.537 181 S HA 0.254 4.725 4.470 0.001 0.000 0.286 181 S C 1.023 175.675 174.600 0.086 0.000 1.299 181 S CA 0.715 58.964 58.200 0.082 0.000 1.067 181 S CB -0.042 63.209 63.200 0.085 0.000 0.864 181 S HN 0.757 nan 8.310 nan 0.000 0.494 182 G N 3.449 112.301 108.800 0.087 0.000 2.217 182 G HA2 -0.270 3.691 3.960 0.001 0.000 0.246 182 G HA3 -0.270 3.691 3.960 0.001 0.000 0.246 182 G C 1.052 176.000 174.900 0.080 0.000 0.990 182 G CA 0.425 45.612 45.100 0.146 0.000 0.627 182 G HN 1.456 nan 8.290 nan 0.000 0.522 183 A N 0.038 122.872 122.820 0.023 0.000 2.070 183 A HA 0.453 4.773 4.320 0.001 0.000 0.220 183 A C 2.747 180.264 177.584 -0.111 0.000 1.159 183 A CA 2.495 54.504 52.037 -0.048 0.000 0.656 183 A CB -0.552 18.431 19.000 -0.027 0.000 0.800 183 A HN 2.583 nan 8.150 nan 0.000 0.453 184 G N -1.403 107.349 108.800 -0.080 0.000 2.143 184 G HA2 -0.204 3.757 3.960 0.001 0.000 0.175 184 G HA3 -0.204 3.757 3.960 0.001 0.000 0.175 184 G C 0.744 175.613 174.900 -0.051 0.000 1.004 184 G CA 0.555 45.597 45.100 -0.097 0.000 0.671 184 G HN 0.479 nan 8.290 nan 0.000 0.512 185 K N -0.214 120.172 120.400 -0.023 0.000 2.032 185 K HA -0.089 4.232 4.320 0.001 0.000 0.209 185 K C 2.563 179.162 176.600 -0.002 0.000 1.048 185 K CA 1.966 58.252 56.287 -0.001 0.000 0.927 185 K CB -0.336 32.167 32.500 0.005 0.000 0.712 185 K HN 0.344 nan 8.250 nan 0.000 0.441 186 T N 1.409 115.957 114.554 -0.010 0.000 2.708 186 T HA -0.111 4.239 4.350 0.001 0.000 0.266 186 T C 1.659 176.350 174.700 -0.014 0.000 1.037 186 T CA 1.132 63.229 62.100 -0.006 0.000 1.146 186 T CB -0.132 68.736 68.868 0.000 0.000 0.865 186 T HN 0.170 nan 8.240 nan 0.000 0.435 187 E N 1.631 121.808 120.200 -0.037 0.000 2.038 187 E HA -0.105 4.245 4.350 0.001 0.000 0.195 187 E C 2.270 178.812 176.600 -0.096 0.000 1.000 187 E CA 0.944 57.295 56.400 -0.082 0.000 0.803 187 E CB -0.573 29.060 29.700 -0.112 0.000 0.750 187 E HN 0.468 nan 8.360 nan 0.000 0.448 188 N N 0.047 118.713 118.700 -0.055 0.000 2.166 188 N HA -0.092 4.649 4.740 0.001 0.000 0.186 188 N C 1.780 177.300 175.510 0.017 0.000 1.019 188 N CA 1.368 54.409 53.050 -0.014 0.000 0.856 188 N CB -0.182 38.332 38.487 0.046 0.000 0.993 188 N HN 0.160 nan 8.380 nan 0.000 0.426 189 T N 1.622 116.189 114.554 0.021 0.000 2.746 189 T HA -0.071 4.279 4.350 0.001 0.000 0.267 189 T C 1.886 176.612 174.700 0.043 0.000 1.039 189 T CA 1.067 63.191 62.100 0.040 0.000 1.142 189 T CB -0.005 68.883 68.868 0.035 0.000 0.866 189 T HN 0.272 nan 8.240 nan 0.000 0.444 190 K N 0.724 121.138 120.400 0.023 0.000 2.063 190 K HA -0.081 4.240 4.320 0.001 0.000 0.208 190 K C 2.398 179.034 176.600 0.060 0.000 1.048 190 K CA 0.938 57.242 56.287 0.030 0.000 0.928 190 K CB -0.003 32.500 32.500 0.005 0.000 0.713 190 K HN 0.070 nan 8.250 nan 0.000 0.442 191 K N 0.651 121.081 120.400 0.050 0.000 2.097 191 K HA -0.078 4.243 4.320 0.001 0.000 0.206 191 K C 2.116 178.906 176.600 0.317 0.000 1.049 191 K CA 0.829 57.234 56.287 0.196 0.000 0.933 191 K CB -0.481 32.065 32.500 0.075 0.000 0.717 191 K HN 0.000 nan 8.250 nan 0.000 0.442 192 V N 1.854 121.884 119.914 0.194 0.000 2.295 192 V HA -0.207 3.914 4.120 0.001 0.000 0.246 192 V C 2.322 178.519 176.094 0.171 0.000 1.049 192 V CA 1.455 63.864 62.300 0.182 0.000 1.024 192 V CB -0.356 31.536 31.823 0.114 0.000 0.648 192 V HN 0.192 nan 8.190 nan 0.000 0.447 193 I N -0.022 120.619 120.570 0.119 0.000 2.226 193 I HA -0.302 3.868 4.170 0.001 0.000 0.245 193 I C 2.659 178.820 176.117 0.074 0.000 1.100 193 I CA 1.941 63.290 61.300 0.081 0.000 1.374 193 I CB -0.550 37.478 38.000 0.048 0.000 1.057 193 I HN 0.454 nan 8.210 nan 0.000 0.413 194 Q N 0.990 120.851 119.800 0.101 0.000 2.030 194 Q HA -0.300 4.040 4.340 0.001 0.000 0.204 194 Q C 2.424 178.427 176.000 0.006 0.000 0.986 194 Q CA 2.103 57.951 55.803 0.076 0.000 0.843 194 Q CB -0.487 28.343 28.738 0.152 0.000 0.904 194 Q HN 0.521 nan 8.270 nan 0.000 0.420 195 Y N 1.025 121.265 120.300 -0.100 0.000 2.097 195 Y HA -0.253 4.298 4.550 0.001 0.000 0.282 195 Y C 2.019 177.799 175.900 -0.200 0.000 1.152 195 Y CA 2.114 60.045 58.100 -0.282 0.000 1.136 195 Y CB -0.261 38.004 38.460 -0.325 0.000 0.975 195 Y HN 0.133 nan 8.280 nan 0.000 0.498 196 L N -0.503 120.720 121.223 0.001 0.000 2.046 196 L HA -0.214 4.127 4.340 0.001 0.000 0.208 196 L C 2.761 179.564 176.870 -0.110 0.000 1.077 196 L CA 1.151 55.952 54.840 -0.064 0.000 0.747 196 L CB -1.101 41.055 42.059 0.161 0.000 0.896 196 L HN 0.291 nan 8.230 nan 0.000 0.432 197 A N -0.927 121.852 122.820 -0.069 0.000 2.024 197 A HA -0.232 4.089 4.320 0.001 0.000 0.220 197 A C 2.551 180.069 177.584 -0.110 0.000 1.164 197 A CA 2.172 54.171 52.037 -0.063 0.000 0.643 197 A CB -0.505 18.468 19.000 -0.045 0.000 0.806 197 A HN 0.405 nan 8.150 nan 0.000 0.451 198 S N -0.705 114.869 115.700 -0.210 0.000 2.421 198 S HA -0.052 4.419 4.470 0.001 0.000 0.224 198 S C 1.854 176.268 174.600 -0.311 0.000 1.035 198 S CA 1.223 59.275 58.200 -0.246 0.000 0.953 198 S CB -0.483 62.534 63.200 -0.304 0.000 0.810 198 S HN 0.907 nan 8.310 nan 0.000 0.497 199 V N -0.702 118.908 119.914 -0.506 0.000 3.217 199 V HA 0.539 4.660 4.120 0.001 0.000 0.264 199 V C 1.453 177.372 176.094 -0.291 0.000 1.135 199 V CA 1.152 63.172 62.300 -0.467 0.000 1.142 199 V CB -0.317 31.109 31.823 -0.661 0.000 0.754 199 V HN 0.493 nan 8.190 nan 0.000 0.484 200 A N -0.091 122.616 122.820 -0.188 0.000 2.585 200 A HA 0.709 5.029 4.320 0.001 0.000 0.266 200 A C 1.170 178.926 177.584 0.287 0.000 1.178 200 A CA 0.387 52.491 52.037 0.111 0.000 0.966 200 A CB -0.247 18.839 19.000 0.142 0.000 1.170 200 A HN 0.706 nan 8.150 nan 0.000 0.558 201 G N -0.085 108.785 108.800 0.116 0.000 2.572 201 G HA2 0.452 4.412 3.960 0.001 0.000 0.261 201 G HA3 0.452 4.412 3.960 0.001 0.000 0.261 201 G C -0.161 174.763 174.900 0.039 0.000 1.197 201 G CA -0.700 44.446 45.100 0.076 0.000 0.870 201 G HN 0.334 nan 8.290 nan 0.000 0.548 202 R N 1.163 121.640 120.500 -0.039 0.000 2.593 202 R HA 0.249 4.590 4.340 0.001 0.000 0.282 202 R C 1.119 177.352 176.300 -0.112 0.000 1.300 202 R CA 0.177 56.185 56.100 -0.153 0.000 1.221 202 R CB -0.586 29.589 30.300 -0.208 0.000 1.157 202 R HN 0.775 nan 8.270 nan 0.000 0.555 210 V N 0.711 120.603 119.914 -0.037 0.000 2.261 210 V HA -0.080 4.041 4.120 0.001 0.000 0.246 210 V C 2.329 178.400 176.094 -0.040 0.000 1.047 210 V CA 2.294 64.573 62.300 -0.036 0.000 1.015 210 V CB -1.064 30.737 31.823 -0.037 0.000 0.642 210 V HN 0.757 nan 8.190 nan 0.000 0.446 211 L N -0.052 121.144 121.223 -0.045 0.000 1.976 211 L HA -0.321 4.019 4.340 0.001 0.000 0.223 211 L C 2.929 179.770 176.870 -0.049 0.000 1.081 211 L CA 3.046 57.855 54.840 -0.051 0.000 0.784 211 L CB -0.636 41.393 42.059 -0.050 0.000 0.896 211 L HN 0.467 nan 8.230 nan 0.000 0.438 212 E N -0.686 119.487 120.200 -0.044 0.000 2.097 212 E HA -0.330 4.021 4.350 0.001 0.000 0.196 212 E C 2.015 178.596 176.600 -0.031 0.000 1.000 212 E CA 1.746 58.122 56.400 -0.040 0.000 0.804 212 E CB -0.142 29.537 29.700 -0.035 0.000 0.740 212 E HN 0.454 nan 8.360 nan 0.000 0.454 213 Q N 0.440 120.224 119.800 -0.027 0.000 2.124 213 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 213 Q C 1.938 177.928 176.000 -0.016 0.000 0.977 213 Q CA 1.601 57.393 55.803 -0.018 0.000 0.850 213 Q CB 0.110 28.839 28.738 -0.016 0.000 0.901 213 Q HN 0.338 nan 8.270 nan 0.000 0.429 214 Q N -0.425 119.359 119.800 -0.027 0.000 2.167 214 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 214 Q C 1.983 177.965 176.000 -0.031 0.000 0.970 214 Q CA 1.255 57.041 55.803 -0.029 0.000 0.855 214 Q CB 0.006 28.715 28.738 -0.049 0.000 0.911 214 Q HN 0.439 nan 8.270 nan 0.000 0.438 215 I N 0.419 120.965 120.570 -0.039 0.000 2.252 215 I HA -0.265 3.905 4.170 0.001 0.000 0.245 215 I C 1.921 178.027 176.117 -0.019 0.000 1.102 215 I CA 1.069 62.344 61.300 -0.042 0.000 1.385 215 I CB -0.077 37.888 38.000 -0.059 0.000 1.064 215 I HN 0.180 nan 8.210 nan 0.000 0.414 216 L N -0.357 120.860 121.223 -0.010 0.000 2.156 216 L HA -0.154 4.186 4.340 0.001 0.000 0.208 216 L C 2.262 179.143 176.870 0.020 0.000 1.095 216 L CA 0.800 55.645 54.840 0.007 0.000 0.770 216 L CB -0.559 41.505 42.059 0.009 0.000 0.914 216 L HN 0.238 nan 8.230 nan 0.000 0.439 217 Q N -0.024 119.786 119.800 0.015 0.000 2.482 217 Q HA 0.052 4.393 4.340 0.001 0.000 0.209 217 Q C 2.175 178.199 176.000 0.039 0.000 0.961 217 Q CA 0.916 56.737 55.803 0.029 0.000 0.945 217 Q CB 0.018 28.772 28.738 0.026 0.000 1.012 217 Q HN 0.502 nan 8.270 nan 0.000 0.515 218 A N 1.176 124.012 122.820 0.027 0.000 1.872 218 A HA -0.137 4.184 4.320 0.001 0.000 0.214 218 A C 1.939 179.554 177.584 0.051 0.000 1.187 218 A CA 1.070 53.123 52.037 0.026 0.000 0.614 218 A CB -0.278 18.719 19.000 -0.006 0.000 0.826 218 A HN 0.296 nan 8.150 nan 0.000 0.442 219 N N -0.164 118.578 118.700 0.069 0.000 2.188 219 N HA -0.083 4.658 4.740 0.001 0.000 0.184 219 N C -0.983 174.616 175.510 0.149 0.000 1.018 219 N CA 1.489 54.611 53.050 0.121 0.000 0.858 219 N CB -1.022 37.535 38.487 0.117 0.000 0.989 219 N HN 0.299 nan 8.380 nan 0.000 0.426 220 P HA -0.083 nan 4.420 nan 0.000 0.221 220 P C 1.542 178.943 177.300 0.168 0.000 1.145 220 P CA 0.893 64.075 63.100 0.137 0.000 0.795 220 P CB -0.033 31.723 31.700 0.094 0.000 0.775 221 I N -1.266 119.388 120.570 0.140 0.000 2.286 221 I HA -0.162 4.009 4.170 0.001 0.000 0.245 221 I C 2.419 178.685 176.117 0.248 0.000 1.104 221 I CA 1.039 62.432 61.300 0.156 0.000 1.397 221 I CB -0.479 37.531 38.000 0.017 0.000 1.072 221 I HN -0.142 nan 8.210 nan 0.000 0.417 222 L N 0.231 121.554 121.223 0.166 0.000 2.141 222 L HA -0.184 4.157 4.340 0.001 0.000 0.209 222 L C 2.442 179.595 176.870 0.471 0.000 1.094 222 L CA 1.357 56.320 54.840 0.206 0.000 0.763 222 L CB -0.528 41.630 42.059 0.164 0.000 0.908 222 L HN 0.290 nan 8.230 nan 0.000 0.437 223 E N 0.161 120.623 120.200 0.437 0.000 2.072 223 E HA -0.188 4.162 4.350 0.001 0.000 0.191 223 E C 2.315 179.201 176.600 0.477 0.000 0.985 223 E CA 1.063 57.748 56.400 0.476 0.000 0.801 223 E CB -0.077 29.839 29.700 0.360 0.000 0.750 223 E HN 0.480 nan 8.360 nan 0.000 0.452 224 A N 0.672 123.726 122.820 0.390 0.000 1.908 224 A HA -0.164 4.156 4.320 0.001 0.000 0.218 224 A C 1.780 179.455 177.584 0.152 0.000 1.181 224 A CA 1.299 53.494 52.037 0.264 0.000 0.627 224 A CB -0.603 18.458 19.000 0.101 0.000 0.818 224 A HN 0.182 nan 8.150 nan 0.000 0.445 225 F N -0.883 119.204 119.950 0.228 0.000 2.569 225 F HA 0.224 4.751 4.527 0.001 0.000 0.295 225 F C 2.243 178.093 175.800 0.082 0.000 1.115 225 F CA 0.786 58.887 58.000 0.168 0.000 1.450 225 F CB 0.094 39.141 39.000 0.079 0.000 1.107 225 F HN 0.290 nan 8.300 nan 0.000 0.563 226 G N -1.224 107.837 108.800 0.435 0.000 3.192 226 G HA2 0.125 4.085 3.960 0.001 0.000 0.239 226 G HA3 0.125 4.085 3.960 0.001 0.000 0.239 226 G C -0.104 175.247 174.900 0.752 0.000 1.084 226 G CA -0.083 45.211 45.100 0.324 0.000 0.784 226 G HN 0.064 nan 8.290 nan 0.000 0.540 227 N N 0.023 119.052 118.700 0.549 0.000 2.328 227 N HA 0.812 5.553 4.740 0.001 0.000 0.299 227 N C -0.585 174.753 175.510 -0.286 0.000 1.179 227 N CA -0.113 53.076 53.050 0.231 0.000 0.793 227 N CB 2.230 40.869 38.487 0.253 0.000 1.366 227 N HN 0.204 nan 8.380 nan 0.000 0.493 228 A N 0.035 122.645 122.820 -0.350 0.000 2.612 228 A HA 0.477 4.797 4.320 0.001 0.000 0.293 228 A C -1.263 176.249 177.584 -0.121 0.000 1.075 228 A CA -0.776 51.008 52.037 -0.423 0.000 0.680 228 A CB 1.213 19.952 19.000 -0.435 0.000 1.279 228 A HN 0.507 nan 8.150 nan 0.000 0.411 229 K N 1.293 121.675 120.400 -0.031 0.000 2.339 229 K HA 0.457 4.777 4.320 0.001 0.000 0.286 229 K C 0.116 176.676 176.600 -0.067 0.000 1.050 229 K CA 0.674 56.962 56.287 0.002 0.000 0.956 229 K CB 0.403 32.896 32.500 -0.012 0.000 0.990 229 K HN 0.946 nan 8.250 nan 0.000 0.475 230 T N -0.358 114.164 114.554 -0.054 0.000 2.841 230 T HA 0.178 4.529 4.350 0.001 0.000 0.276 230 T C 1.285 175.943 174.700 -0.071 0.000 1.003 230 T CA -0.205 61.848 62.100 -0.077 0.000 0.995 230 T CB 1.069 69.892 68.868 -0.074 0.000 1.260 230 T HN 0.575 nan 8.240 nan 0.000 0.581 231 T N -1.552 112.951 114.554 -0.084 0.000 3.085 231 T HA 0.109 4.460 4.350 0.001 0.000 0.263 231 T C 1.589 176.248 174.700 -0.068 0.000 1.127 231 T CA 0.266 62.318 62.100 -0.079 0.000 1.103 231 T CB -0.246 68.570 68.868 -0.087 0.000 0.921 231 T HN 0.620 nan 8.240 nan 0.000 0.510 232 R N 0.638 121.104 120.500 -0.057 0.000 2.282 232 R HA 0.329 4.669 4.340 0.001 0.000 0.195 232 R C 0.045 176.352 176.300 0.012 0.000 0.909 232 R CA 0.015 56.098 56.100 -0.027 0.000 1.039 232 R CB 0.261 30.546 30.300 -0.024 0.000 1.015 232 R HN 0.273 nan 8.270 nan 0.000 0.513 233 N N -0.218 118.489 118.700 0.012 0.000 2.554 233 N HA 0.075 4.816 4.740 0.001 0.000 0.271 233 N C -0.940 174.595 175.510 0.043 0.000 1.081 233 N CA -0.365 52.715 53.050 0.051 0.000 0.994 233 N CB 1.002 39.535 38.487 0.076 0.000 1.641 233 N HN -0.125 nan 8.380 nan 0.000 0.511 234 N N 1.405 120.134 118.700 0.050 0.000 2.520 234 N HA -0.103 4.638 4.740 0.001 0.000 0.185 234 N C -0.174 175.418 175.510 0.137 0.000 1.068 234 N CA 0.538 53.622 53.050 0.057 0.000 0.911 234 N CB 0.044 38.549 38.487 0.029 0.000 0.961 234 N HN 0.443 nan 8.380 nan 0.000 0.446 235 N N 0.050 118.835 118.700 0.143 0.000 2.622 235 N HA 0.044 4.784 4.740 0.001 0.000 0.304 235 N C -1.344 174.265 175.510 0.166 0.000 1.844 235 N CA -0.208 52.982 53.050 0.234 0.000 0.886 235 N CB 0.500 39.109 38.487 0.204 0.000 1.366 235 N HN -0.167 nan 8.380 nan 0.000 0.491 236 S N -0.016 115.745 115.700 0.101 0.000 2.537 236 S HA 0.151 4.622 4.470 0.001 0.000 0.286 236 S C -0.013 174.632 174.600 0.074 0.000 1.299 236 S CA -0.125 58.113 58.200 0.064 0.000 1.067 236 S CB 0.121 63.338 63.200 0.028 0.000 0.864 236 S HN 0.376 nan 8.310 nan 0.000 0.494 237 S N 5.472 121.196 115.700 0.040 0.000 2.448 237 S HA 0.270 4.741 4.470 0.001 0.000 0.279 237 S C 0.740 175.368 174.600 0.048 0.000 1.195 237 S CA -0.704 57.485 58.200 -0.018 0.000 1.051 237 S CB 0.522 63.593 63.200 -0.214 0.000 0.948 237 S HN 0.616 nan 8.310 nan 0.000 0.493 238 R N 2.482 123.130 120.500 0.248 0.000 2.568 238 R HA 0.232 4.573 4.340 0.001 0.000 0.288 238 R C -0.535 175.999 176.300 0.390 0.000 1.077 238 R CA 0.061 56.337 56.100 0.293 0.000 1.102 238 R CB -0.793 29.716 30.300 0.350 0.000 1.278 238 R HN 0.719 nan 8.270 nan 0.000 0.560 239 F N -4.075 115.949 119.950 0.122 0.000 2.678 239 F HA 0.661 5.188 4.527 0.001 0.000 0.308 239 F C -0.278 175.629 175.800 0.178 0.000 1.118 239 F CA -1.586 56.486 58.000 0.120 0.000 0.959 239 F CB 0.718 39.745 39.000 0.045 0.000 1.305 239 F HN -0.133 nan 8.300 nan 0.000 0.443 240 G N 1.275 110.237 108.800 0.268 0.000 2.437 240 G HA2 0.644 4.605 3.960 0.001 0.000 0.319 240 G HA3 0.644 4.605 3.960 0.001 0.000 0.319 240 G C -1.745 173.399 174.900 0.406 0.000 1.158 240 G CA -0.974 44.253 45.100 0.211 0.000 0.899 240 G HN 1.050 nan 8.290 nan 0.000 0.502 241 K N -0.343 120.247 120.400 0.316 0.000 2.532 241 K HA 0.587 4.908 4.320 0.001 0.000 0.265 241 K C -2.212 174.641 176.600 0.422 0.000 0.948 241 K CA -1.008 55.512 56.287 0.389 0.000 0.842 241 K CB 2.162 34.840 32.500 0.298 0.000 1.392 241 K HN 0.379 nan 8.250 nan 0.000 0.436 242 F N 3.582 123.676 119.950 0.241 0.000 2.445 242 F HA 0.484 5.012 4.527 0.001 0.000 0.348 242 F C -0.936 174.915 175.800 0.086 0.000 1.125 242 F CA -0.966 57.134 58.000 0.166 0.000 0.983 242 F CB 0.979 40.102 39.000 0.206 0.000 1.198 242 F HN 0.379 nan 8.300 nan 0.000 0.436 243 I N 5.432 125.777 120.570 -0.375 0.000 2.304 243 I HA 0.204 4.374 4.170 0.001 0.000 0.291 243 I C -0.218 175.609 176.117 -0.482 0.000 1.018 243 I CA -0.421 60.693 61.300 -0.309 0.000 1.260 243 I CB 1.377 39.297 38.000 -0.133 0.000 1.390 243 I HN 0.574 nan 8.210 nan 0.000 0.475 244 E N 6.502 126.480 120.200 -0.371 0.000 2.130 244 E HA 0.304 4.654 4.350 0.001 0.000 0.284 244 E C -0.776 175.744 176.600 -0.134 0.000 1.018 244 E CA -0.736 55.489 56.400 -0.292 0.000 0.817 244 E CB 0.974 30.489 29.700 -0.308 0.000 1.078 244 E HN 0.361 nan 8.360 nan 0.000 0.396 245 I N 4.507 125.058 120.570 -0.031 0.000 2.304 245 I HA 0.111 4.282 4.170 0.001 0.000 0.291 245 I C 0.226 176.214 176.117 -0.214 0.000 1.018 245 I CA -0.259 60.956 61.300 -0.142 0.000 1.260 245 I CB 1.057 38.984 38.000 -0.121 0.000 1.390 245 I HN 0.482 nan 8.210 nan 0.000 0.475 246 Q N 5.754 125.371 119.800 -0.305 0.000 2.256 246 Q HA 0.548 4.889 4.340 0.001 0.000 0.254 246 Q C -1.305 174.464 176.000 -0.385 0.000 0.916 246 Q CA -0.139 55.562 55.803 -0.169 0.000 0.932 246 Q CB 1.551 30.247 28.738 -0.070 0.000 1.207 246 Q HN 0.376 nan 8.270 nan 0.000 0.426 247 F N 1.327 121.385 119.950 0.179 0.000 2.577 247 F HA 0.300 4.828 4.527 0.001 0.000 0.318 247 F C 0.410 176.312 175.800 0.169 0.000 1.065 247 F CA -1.149 56.958 58.000 0.177 0.000 0.929 247 F CB 1.365 40.484 39.000 0.199 0.000 1.237 247 F HN 0.582 nan 8.300 nan 0.000 0.468 248 N N -0.143 118.765 118.700 0.347 0.000 2.366 248 N HA 0.126 4.867 4.740 0.001 0.000 0.277 248 N C 0.261 175.931 175.510 0.267 0.000 1.275 248 N CA -0.454 52.746 53.050 0.251 0.000 0.964 248 N CB -0.016 38.596 38.487 0.207 0.000 1.167 248 N HN 0.623 nan 8.380 nan 0.000 0.568 249 N N -2.049 116.781 118.700 0.217 0.000 2.453 249 N HA -0.077 4.664 4.740 0.001 0.000 0.183 249 N C 1.082 176.644 175.510 0.085 0.000 1.041 249 N CA 0.937 54.129 53.050 0.238 0.000 0.900 249 N CB -0.161 38.454 38.487 0.214 0.000 0.961 249 N HN 0.602 nan 8.380 nan 0.000 0.443 250 A N -0.247 122.612 122.820 0.065 0.000 2.169 250 A HA 0.463 4.784 4.320 0.001 0.000 0.212 250 A C 1.776 179.158 177.584 -0.338 0.000 1.153 250 A CA 0.488 52.488 52.037 -0.061 0.000 0.756 250 A CB -0.541 18.516 19.000 0.095 0.000 0.813 250 A HN 0.581 nan 8.150 nan 0.000 0.471 251 G N -2.289 106.382 108.800 -0.215 0.000 2.148 251 G HA2 -0.191 3.769 3.960 0.001 0.000 0.203 251 G HA3 -0.191 3.769 3.960 0.001 0.000 0.203 251 G C -0.063 174.738 174.900 -0.165 0.000 0.993 251 G CA -0.089 44.835 45.100 -0.294 0.000 0.661 251 G HN 0.330 nan 8.290 nan 0.000 0.518 252 F N 0.461 120.604 119.950 0.321 0.000 2.425 252 F HA 0.640 5.168 4.527 0.001 0.000 0.331 252 F C 1.309 177.307 175.800 0.331 0.000 1.085 252 F CA -1.261 56.915 58.000 0.293 0.000 1.028 252 F CB 1.058 40.147 39.000 0.148 0.000 1.177 252 F HN -0.080 nan 8.300 nan 0.000 0.487 253 I N 2.046 122.857 120.570 0.401 0.000 2.668 253 I HA -0.080 4.091 4.170 0.001 0.000 0.285 253 I C 0.807 176.939 176.117 0.024 0.000 1.168 253 I CA 0.620 61.916 61.300 -0.005 0.000 1.424 253 I CB 0.665 38.606 38.000 -0.097 0.000 1.377 253 I HN 0.750 nan 8.210 nan 0.000 0.560 254 S N 3.179 118.848 115.700 -0.051 0.000 2.559 254 S HA 0.511 4.981 4.470 0.001 0.000 0.226 254 S C 0.484 175.050 174.600 -0.056 0.000 1.030 254 S CA 0.069 58.268 58.200 -0.003 0.000 0.956 254 S CB 1.019 64.250 63.200 0.051 0.000 0.900 254 S HN 0.891 nan 8.310 nan 0.000 0.510 255 G N 0.243 108.972 108.800 -0.118 0.000 2.335 255 G HA2 0.667 4.628 3.960 0.001 0.000 0.291 255 G HA3 0.667 4.628 3.960 0.001 0.000 0.291 255 G C -1.901 172.912 174.900 -0.145 0.000 1.261 255 G CA -0.074 44.959 45.100 -0.111 0.000 0.871 255 G HN 1.087 nan 8.290 nan 0.000 0.491 256 A N -1.483 121.261 122.820 -0.127 0.000 2.583 256 A HA 0.914 5.235 4.320 0.001 0.000 0.292 256 A C -0.844 176.663 177.584 -0.127 0.000 1.045 256 A CA 0.489 52.446 52.037 -0.135 0.000 0.672 256 A CB 1.210 20.129 19.000 -0.134 0.000 1.283 256 A HN 1.940 nan 8.150 nan 0.000 0.419 257 S N -0.301 115.318 115.700 -0.135 0.000 2.546 257 S HA 0.826 5.297 4.470 0.001 0.000 0.274 257 S C -1.329 173.201 174.600 -0.117 0.000 1.121 257 S CA -0.465 57.658 58.200 -0.128 0.000 0.887 257 S CB 0.841 63.963 63.200 -0.131 0.000 1.094 257 S HN 0.694 nan 8.310 nan 0.000 0.474 258 I N 2.796 123.308 120.570 -0.097 0.000 2.498 258 I HA 0.474 4.644 4.170 0.001 0.000 0.290 258 I C -0.814 175.264 176.117 -0.065 0.000 1.032 258 I CA -0.783 60.481 61.300 -0.060 0.000 1.073 258 I CB 2.165 40.134 38.000 -0.051 0.000 1.251 258 I HN 0.488 nan 8.210 nan 0.000 0.426 259 Q N 4.654 124.439 119.800 -0.025 0.000 2.330 259 Q HA 0.521 4.861 4.340 0.001 0.000 0.269 259 Q C -0.925 174.934 176.000 -0.235 0.000 1.022 259 Q CA -0.486 55.222 55.803 -0.159 0.000 0.796 259 Q CB 1.952 30.608 28.738 -0.136 0.000 1.271 259 Q HN 0.765 nan 8.270 nan 0.000 0.450 260 S N 2.980 118.512 115.700 -0.280 0.000 2.549 260 S HA 0.796 5.267 4.470 0.001 0.000 0.297 260 S C -1.028 173.376 174.600 -0.326 0.000 1.115 260 S CA -0.424 57.764 58.200 -0.020 0.000 1.059 260 S CB 0.796 64.178 63.200 0.303 0.000 1.046 260 S HN 0.537 nan 8.310 nan 0.000 0.506 261 Y N 0.045 120.515 120.300 0.282 0.000 2.588 261 Y HA 0.568 5.119 4.550 0.001 0.000 0.343 261 Y C -0.164 175.868 175.900 0.220 0.000 1.065 261 Y CA -1.626 56.582 58.100 0.181 0.000 1.038 261 Y CB 0.942 39.459 38.460 0.096 0.000 1.297 261 Y HN 0.618 nan 8.280 nan 0.000 0.467 262 L N 1.725 123.175 121.223 0.380 0.000 3.854 262 L HA -0.216 4.125 4.340 0.001 0.000 0.460 262 L C -0.560 176.442 176.870 0.219 0.000 1.228 262 L CA 0.279 55.286 54.840 0.279 0.000 0.760 262 L CB -1.421 40.804 42.059 0.277 0.000 1.597 262 L HN 0.530 nan 8.230 nan 0.000 0.852 263 L N 0.717 122.033 121.223 0.154 0.000 2.455 263 L HA 0.150 4.490 4.340 0.001 0.000 0.272 263 L C 1.185 178.124 176.870 0.115 0.000 1.174 263 L CA 0.528 55.404 54.840 0.060 0.000 0.869 263 L CB 0.581 42.511 42.059 -0.215 0.000 1.130 263 L HN 0.402 nan 8.230 nan 0.000 0.474 264 E N 3.953 124.267 120.200 0.190 0.000 1.842 264 E HA 0.009 4.360 4.350 0.001 0.000 0.278 264 E C 0.476 177.207 176.600 0.218 0.000 1.171 264 E CA 0.012 56.531 56.400 0.198 0.000 1.127 264 E CB 0.190 30.007 29.700 0.196 0.000 1.100 264 E HN 0.696 nan 8.360 nan 0.000 0.456 265 K N 0.648 121.135 120.400 0.146 0.000 2.209 265 K HA -0.147 4.174 4.320 0.001 0.000 0.204 265 K C 2.074 178.723 176.600 0.082 0.000 1.048 265 K CA 1.310 57.673 56.287 0.127 0.000 0.940 265 K CB -0.009 32.554 32.500 0.105 0.000 0.729 265 K HN 0.374 nan 8.250 nan 0.000 0.451 266 S N 1.543 117.292 115.700 0.082 0.000 2.419 266 S HA -0.209 4.261 4.470 0.001 0.000 0.235 266 S C 2.031 176.655 174.600 0.040 0.000 1.019 266 S CA 1.084 59.319 58.200 0.059 0.000 0.982 266 S CB -0.276 62.971 63.200 0.080 0.000 0.789 266 S HN 0.306 nan 8.310 nan 0.000 0.490 267 R N 0.861 121.378 120.500 0.029 0.000 2.237 267 R HA 0.029 4.370 4.340 0.001 0.000 0.219 267 R C 1.695 177.888 176.300 -0.178 0.000 1.080 267 R CA 0.951 56.999 56.100 -0.088 0.000 0.995 267 R CB -0.444 29.697 30.300 -0.266 0.000 0.875 267 R HN 0.409 nan 8.270 nan 0.000 0.462 268 V N 0.626 120.448 119.914 -0.152 0.000 2.407 268 V HA -0.199 3.921 4.120 0.001 0.000 0.248 268 V C 2.109 177.817 176.094 -0.643 0.000 1.055 268 V CA 1.796 63.881 62.300 -0.359 0.000 1.049 268 V CB 0.044 31.652 31.823 -0.358 0.000 0.662 268 V HN 0.472 nan 8.190 nan 0.000 0.455 269 V N -4.299 115.297 119.914 -0.528 0.000 3.647 269 V HA 0.426 4.546 4.120 0.001 0.000 0.279 269 V C 0.096 176.132 176.094 -0.097 0.000 1.314 269 V CA 0.034 61.944 62.300 -0.650 0.000 1.125 269 V CB -0.064 31.542 31.823 -0.362 0.000 0.907 269 V HN 0.337 nan 8.190 nan 0.000 0.434 270 F N 0.850 120.676 119.950 -0.206 0.000 2.652 270 F HA 0.703 5.231 4.527 0.001 0.000 0.320 270 F C -1.731 174.014 175.800 -0.093 0.000 1.115 270 F CA -0.613 57.332 58.000 -0.091 0.000 1.053 270 F CB 1.522 40.495 39.000 -0.045 0.000 1.297 270 F HN 0.111 nan 8.300 nan 0.000 0.471 271 Q N 3.058 122.195 119.800 -1.105 0.000 2.389 271 Q HA 0.614 4.955 4.340 0.001 0.000 0.277 271 Q C -0.850 174.437 176.000 -1.188 0.000 1.082 271 Q CA -1.095 54.169 55.803 -0.898 0.000 0.810 271 Q CB 2.289 30.773 28.738 -0.424 0.000 1.374 271 Q HN 0.623 nan 8.270 nan 0.000 0.422 272 S N 0.377 115.666 115.700 -0.685 0.000 2.608 272 S HA 0.068 4.538 4.470 0.001 0.000 0.261 272 S C 0.007 174.456 174.600 -0.252 0.000 1.314 272 S CA -0.831 57.154 58.200 -0.357 0.000 0.992 272 S CB 0.345 63.488 63.200 -0.094 0.000 0.935 272 S HN 0.628 nan 8.310 nan 0.000 0.564 273 E N 0.747 120.866 120.200 -0.136 0.000 2.529 273 E HA 0.004 4.354 4.350 0.001 0.000 0.259 273 E C 0.834 177.378 176.600 -0.094 0.000 0.966 273 E CA 1.063 57.406 56.400 -0.094 0.000 0.937 273 E CB 0.043 29.714 29.700 -0.047 0.000 0.923 273 E HN 0.956 nan 8.360 nan 0.000 0.468 274 T N -0.139 114.362 114.554 -0.089 0.000 7.058 274 T HA -0.268 4.083 4.350 0.001 0.000 0.289 274 T C 0.192 174.832 174.700 -0.101 0.000 2.142 274 T CA 1.388 63.437 62.100 -0.084 0.000 3.531 274 T CB -1.442 67.382 68.868 -0.073 0.000 1.423 274 T HN 0.614 nan 8.240 nan 0.000 1.040 275 E N 1.154 121.280 120.200 -0.124 0.000 2.351 275 E HA 0.624 4.975 4.350 0.001 0.000 0.255 275 E C 0.497 177.018 176.600 -0.133 0.000 1.188 275 E CA -0.845 55.473 56.400 -0.136 0.000 0.940 275 E CB 0.634 30.236 29.700 -0.164 0.000 1.094 275 E HN 0.388 nan 8.360 nan 0.000 0.474 276 R N 0.741 121.164 120.500 -0.127 0.000 2.888 276 R HA 0.299 4.640 4.340 0.001 0.000 0.266 276 R C 0.026 176.315 176.300 -0.018 0.000 1.020 276 R CA -0.912 55.143 56.100 -0.074 0.000 0.963 276 R CB 1.163 31.334 30.300 -0.215 0.000 1.197 276 R HN 0.453 nan 8.270 nan 0.000 0.481 277 N N 0.267 119.104 118.700 0.227 0.000 2.366 277 N HA 0.058 4.799 4.740 0.001 0.000 0.277 277 N C -0.644 174.952 175.510 0.145 0.000 1.275 277 N CA 0.015 53.091 53.050 0.044 0.000 0.964 277 N CB 0.194 38.635 38.487 -0.077 0.000 1.167 277 N HN 0.235 nan 8.380 nan 0.000 0.568 278 Y N 1.442 121.896 120.300 0.255 0.000 2.805 278 Y HA -0.076 4.475 4.550 0.001 0.000 0.337 278 Y C 2.036 178.125 175.900 0.314 0.000 1.252 278 Y CA 0.311 58.524 58.100 0.189 0.000 1.515 278 Y CB 0.164 38.742 38.460 0.196 0.000 1.305 278 Y HN 0.505 nan 8.280 nan 0.000 0.600 279 H N 2.469 121.783 119.070 0.406 0.000 2.292 279 H HA -0.223 4.333 4.556 0.001 0.000 0.292 279 H C 1.988 177.446 175.328 0.218 0.000 1.100 279 H CA 2.439 58.681 56.048 0.324 0.000 1.238 279 H CB -0.541 29.337 29.762 0.194 0.000 1.355 279 H HN 0.695 nan 8.280 nan 0.000 0.484 280 I N -0.002 120.603 120.570 0.059 0.000 2.236 280 I HA -0.258 3.912 4.170 0.001 0.000 0.249 280 I C 2.310 178.266 176.117 -0.268 0.000 1.102 280 I CA 1.162 62.314 61.300 -0.248 0.000 1.365 280 I CB -1.480 36.056 38.000 -0.773 0.000 1.051 280 I HN -0.047 nan 8.210 nan 0.000 0.420 281 F N 0.531 120.417 119.950 -0.107 0.000 2.065 281 F HA -0.244 4.284 4.527 0.001 0.000 0.298 281 F C 2.534 178.123 175.800 -0.351 0.000 1.112 281 F CA 1.878 59.689 58.000 -0.316 0.000 1.212 281 F CB -1.422 37.256 39.000 -0.536 0.000 0.975 281 F HN 0.034 nan 8.300 nan 0.000 0.476 282 Y N -0.242 120.137 120.300 0.132 0.000 2.274 282 Y HA -0.214 4.337 4.550 0.001 0.000 0.290 282 Y C 2.450 178.315 175.900 -0.057 0.000 1.145 282 Y CA 1.215 59.342 58.100 0.045 0.000 1.203 282 Y CB -1.126 37.384 38.460 0.083 0.000 0.984 282 Y HN 0.172 nan 8.280 nan 0.000 0.533 283 Q N -0.457 119.383 119.800 0.066 0.000 2.046 283 Q HA -0.161 4.179 4.340 0.001 0.000 0.200 283 Q C 2.265 177.910 176.000 -0.592 0.000 0.975 283 Q CA 1.465 57.245 55.803 -0.039 0.000 0.836 283 Q CB -0.385 28.470 28.738 0.195 0.000 0.896 283 Q HN 0.445 nan 8.270 nan 0.000 0.428 284 L N 0.713 121.509 121.223 -0.712 0.000 2.027 284 L HA -0.143 4.197 4.340 0.001 0.000 0.206 284 L C 1.962 178.380 176.870 -0.753 0.000 1.074 284 L CA 1.547 55.670 54.840 -1.196 0.000 0.745 284 L CB -0.432 41.240 42.059 -0.645 0.000 0.898 284 L HN 0.187 nan 8.230 nan 0.000 0.433 285 L N -0.700 120.291 121.223 -0.387 0.000 2.083 285 L HA -0.188 4.152 4.340 0.001 0.000 0.209 285 L C 2.553 179.325 176.870 -0.164 0.000 1.083 285 L CA 1.231 55.951 54.840 -0.201 0.000 0.752 285 L CB -0.822 41.196 42.059 -0.069 0.000 0.899 285 L HN 0.434 nan 8.230 nan 0.000 0.433 286 A N -0.285 122.431 122.820 -0.172 0.000 1.878 286 A HA 0.044 4.365 4.320 0.001 0.000 0.213 286 A C 2.342 179.852 177.584 -0.122 0.000 1.192 286 A CA 1.180 53.160 52.037 -0.096 0.000 0.619 286 A CB -0.907 18.076 19.000 -0.030 0.000 0.837 286 A HN 0.386 nan 8.150 nan 0.000 0.446 287 G N -0.138 108.513 108.800 -0.247 0.000 2.430 287 G HA2 0.311 4.271 3.960 0.001 0.000 0.216 287 G HA3 0.311 4.271 3.960 0.001 0.000 0.216 287 G C 0.944 175.760 174.900 -0.140 0.000 1.146 287 G CA 0.708 45.727 45.100 -0.135 0.000 0.793 287 G HN 0.825 nan 8.290 nan 0.000 0.537 288 A N 0.648 123.221 122.820 -0.413 0.000 2.547 288 A HA 0.438 4.759 4.320 0.001 0.000 0.233 288 A C 1.046 178.602 177.584 -0.047 0.000 1.067 288 A CA 0.787 52.709 52.037 -0.192 0.000 0.763 288 A CB -0.229 18.628 19.000 -0.238 0.000 1.007 288 A HN 0.725 nan 8.150 nan 0.000 0.506 289 T N -0.669 113.890 114.554 0.008 0.000 2.856 289 T HA 0.502 4.853 4.350 0.001 0.000 0.292 289 T C 1.279 175.979 174.700 0.001 0.000 0.980 289 T CA -0.029 62.082 62.100 0.018 0.000 1.091 289 T CB 1.307 70.197 68.868 0.037 0.000 0.936 289 T HN 1.579 nan 8.240 nan 0.000 0.503 290 A N 2.627 125.447 122.820 -0.001 0.000 2.023 290 A HA -0.261 4.060 4.320 0.001 0.000 0.223 290 A C 2.011 179.589 177.584 -0.009 0.000 1.180 290 A CA 2.410 54.443 52.037 -0.007 0.000 0.659 290 A CB -0.962 18.035 19.000 -0.004 0.000 0.817 290 A HN 0.974 nan 8.150 nan 0.000 0.466 291 E N -0.454 119.746 120.200 -0.000 0.000 2.072 291 E HA -0.093 4.258 4.350 0.001 0.000 0.190 291 E C 1.904 178.504 176.600 0.000 0.000 0.982 291 E CA 1.216 57.616 56.400 -0.000 0.000 0.803 291 E CB -0.263 29.444 29.700 0.011 0.000 0.755 291 E HN 0.766 nan 8.360 nan 0.000 0.453 292 E N 0.901 121.108 120.200 0.013 0.000 2.204 292 E HA -0.150 4.201 4.350 0.001 0.000 0.194 292 E C 1.648 178.252 176.600 0.006 0.000 0.989 292 E CA 0.854 57.268 56.400 0.024 0.000 0.824 292 E CB 0.050 29.771 29.700 0.035 0.000 0.756 292 E HN 0.180 nan 8.360 nan 0.000 0.477 293 K N 0.952 121.344 120.400 -0.013 0.000 1.984 293 K HA -0.172 4.148 4.320 0.001 0.000 0.209 293 K C 2.163 178.740 176.600 -0.038 0.000 1.046 293 K CA 1.409 57.690 56.287 -0.011 0.000 0.934 293 K CB -0.156 32.336 32.500 -0.013 0.000 0.717 293 K HN -0.044 nan 8.250 nan 0.000 0.438 294 K N 1.307 121.664 120.400 -0.070 0.000 2.074 294 K HA -0.156 4.165 4.320 0.001 0.000 0.209 294 K C 1.993 178.452 176.600 -0.236 0.000 1.048 294 K CA 1.715 57.914 56.287 -0.146 0.000 0.926 294 K CB -0.211 32.231 32.500 -0.097 0.000 0.713 294 K HN 0.150 nan 8.250 nan 0.000 0.444 295 A N 0.577 123.333 122.820 -0.106 0.000 2.206 295 A HA 0.104 4.424 4.320 0.001 0.000 0.211 295 A C 1.600 179.203 177.584 0.032 0.000 1.158 295 A CA 0.588 52.590 52.037 -0.059 0.000 0.761 295 A CB -0.100 18.912 19.000 0.019 0.000 0.801 295 A HN 0.369 nan 8.150 nan 0.000 0.473 296 L N -2.783 118.468 121.223 0.047 0.000 2.858 296 L HA 0.254 4.594 4.340 0.001 0.000 0.251 296 L C 0.093 177.242 176.870 0.465 0.000 1.149 296 L CA -0.335 54.665 54.840 0.268 0.000 0.955 296 L CB -0.188 41.973 42.059 0.170 0.000 1.289 296 L HN 0.512 nan 8.230 nan 0.000 0.542 297 H N -0.944 118.216 119.070 0.149 0.000 2.862 297 H HA -0.136 4.421 4.556 0.001 0.000 0.290 297 H C -0.107 175.413 175.328 0.320 0.000 1.211 297 H CA 0.303 56.459 56.048 0.180 0.000 1.140 297 H CB -2.046 27.758 29.762 0.069 0.000 1.341 297 H HN 0.202 nan 8.280 nan 0.000 0.392 298 L N -0.317 121.067 121.223 0.268 0.000 2.371 298 L HA 0.646 4.986 4.340 0.001 0.000 0.272 298 L C 1.060 178.057 176.870 0.212 0.000 1.124 298 L CA 0.194 55.207 54.840 0.290 0.000 0.816 298 L CB 1.252 43.386 42.059 0.125 0.000 1.129 298 L HN 0.403 nan 8.230 nan 0.000 0.448 299 A N 1.747 124.737 122.820 0.284 0.000 2.681 299 A HA 0.841 5.162 4.320 0.001 0.000 0.278 299 A C -0.113 177.557 177.584 0.143 0.000 1.272 299 A CA -0.069 52.011 52.037 0.072 0.000 0.750 299 A CB 0.515 19.401 19.000 -0.190 0.000 1.351 299 A HN 0.680 nan 8.150 nan 0.000 0.514 300 G N -0.953 107.855 108.800 0.013 0.000 2.572 300 G HA2 0.476 4.436 3.960 0.001 0.000 0.261 300 G HA3 0.476 4.436 3.960 0.001 0.000 0.261 300 G C -1.708 173.277 174.900 0.141 0.000 1.197 300 G CA -0.895 44.243 45.100 0.063 0.000 0.870 300 G HN 0.337 nan 8.290 nan 0.000 0.548 301 P HA -0.108 nan 4.420 nan 0.000 0.218 301 P C 1.561 178.953 177.300 0.154 0.000 1.148 301 P CA 1.149 64.393 63.100 0.240 0.000 0.822 301 P CB 0.209 32.037 31.700 0.213 0.000 0.784 302 E N 0.283 120.518 120.200 0.058 0.000 2.209 302 E HA -0.107 4.244 4.350 0.001 0.000 0.196 302 E C 1.457 178.008 176.600 -0.082 0.000 0.993 302 E CA 1.080 57.481 56.400 0.002 0.000 0.819 302 E CB -1.678 28.018 29.700 -0.007 0.000 0.745 302 E HN 0.202 nan 8.360 nan 0.000 0.477 303 S N -0.085 115.488 115.700 -0.211 0.000 2.660 303 S HA 0.131 4.602 4.470 0.001 0.000 0.223 303 S C -0.251 173.921 174.600 -0.713 0.000 0.963 303 S CA 0.058 57.962 58.200 -0.494 0.000 0.932 303 S CB -0.402 62.344 63.200 -0.757 0.000 0.775 303 S HN 0.152 nan 8.310 nan 0.000 0.531 304 F N 1.194 121.112 119.950 -0.054 0.000 2.539 304 F HA 0.429 4.957 4.527 0.001 0.000 0.318 304 F C 0.879 176.626 175.800 -0.087 0.000 1.135 304 F CA -1.184 56.760 58.000 -0.093 0.000 0.915 304 F CB 1.187 40.114 39.000 -0.122 0.000 1.176 304 F HN -0.209 nan 8.300 nan 0.000 0.440 305 N N 1.628 120.360 118.700 0.053 0.000 2.205 305 N HA -0.214 4.526 4.740 0.001 0.000 0.186 305 N C 1.463 177.045 175.510 0.120 0.000 1.015 305 N CA 1.488 54.554 53.050 0.026 0.000 0.862 305 N CB -0.193 38.266 38.487 -0.048 0.000 0.986 305 N HN 0.700 nan 8.380 nan 0.000 0.429 306 Y N 0.260 120.545 120.300 -0.024 0.000 2.616 306 Y HA 0.078 4.629 4.550 0.001 0.000 0.296 306 Y C 1.546 177.326 175.900 -0.200 0.000 1.154 306 Y CA 0.073 58.083 58.100 -0.149 0.000 1.325 306 Y CB 0.255 38.546 38.460 -0.282 0.000 1.007 306 Y HN -0.006 nan 8.280 nan 0.000 0.542 307 L N -0.688 120.564 121.223 0.048 0.000 3.039 307 L HA 0.090 4.431 4.340 0.001 0.000 0.269 307 L C 0.724 177.647 176.870 0.088 0.000 1.169 307 L CA -0.012 54.841 54.840 0.021 0.000 0.986 307 L CB 0.118 42.162 42.059 -0.025 0.000 1.377 307 L HN 0.142 nan 8.230 nan 0.000 0.575 308 N N -1.509 117.235 118.700 0.074 0.000 2.238 308 N HA -0.005 4.735 4.740 0.001 0.000 0.222 308 N C 1.217 176.745 175.510 0.030 0.000 1.133 308 N CA 0.015 53.098 53.050 0.055 0.000 0.854 308 N CB 0.284 38.795 38.487 0.040 0.000 1.041 308 N HN 0.107 nan 8.380 nan 0.000 0.510 309 Q N 0.161 119.971 119.800 0.017 0.000 2.304 309 Q HA 0.066 4.406 4.340 0.001 0.000 0.204 309 Q C 1.638 177.613 176.000 -0.042 0.000 0.936 309 Q CA 1.334 57.135 55.803 -0.003 0.000 0.878 309 Q CB -0.094 28.651 28.738 0.012 0.000 0.983 309 Q HN 0.573 nan 8.270 nan 0.000 0.516 310 S N -0.317 115.332 115.700 -0.084 0.000 2.474 310 S HA 0.005 4.476 4.470 0.001 0.000 0.235 310 S C 1.383 175.944 174.600 -0.065 0.000 0.997 310 S CA 0.955 59.087 58.200 -0.113 0.000 0.949 310 S CB -0.290 62.820 63.200 -0.150 0.000 0.766 310 S HN 0.484 nan 8.310 nan 0.000 0.517 311 G N 0.127 108.907 108.800 -0.034 0.000 2.212 311 G HA2 -0.232 3.729 3.960 0.001 0.000 0.255 311 G HA3 -0.232 3.729 3.960 0.001 0.000 0.255 311 G C -0.076 174.803 174.900 -0.035 0.000 1.062 311 G CA -0.108 44.976 45.100 -0.026 0.000 0.815 311 G HN 1.351 nan 8.290 nan 0.000 0.497 312 C N 0.313 119.591 119.300 -0.037 0.000 2.887 312 C HA 0.585 5.046 4.460 0.001 0.000 0.379 312 C C 1.101 176.048 174.990 -0.072 0.000 1.064 312 C CA 0.155 59.135 59.018 -0.065 0.000 1.282 312 C CB 0.652 28.336 27.740 -0.093 0.000 1.749 312 C HN 1.463 nan 8.230 nan 0.000 0.489 313 V N 1.300 121.176 119.914 -0.064 0.000 3.477 313 V HA 0.437 4.558 4.120 0.001 0.000 0.297 313 V C -0.112 175.850 176.094 -0.221 0.000 1.433 313 V CA 0.783 63.051 62.300 -0.054 0.000 1.052 313 V CB -0.027 31.882 31.823 0.142 0.000 0.895 313 V HN 0.873 nan 8.190 nan 0.000 0.438 314 D N -0.355 119.934 120.400 -0.185 0.000 2.756 314 D HA 0.583 5.224 4.640 0.001 0.000 0.226 314 D C -0.894 175.320 176.300 -0.144 0.000 1.186 314 D CA -0.605 53.296 54.000 -0.165 0.000 0.845 314 D CB 1.785 42.534 40.800 -0.084 0.000 1.610 314 D HN 0.170 nan 8.370 nan 0.000 0.465 315 I N 0.980 121.472 120.570 -0.131 0.000 2.354 315 I HA 0.260 4.431 4.170 0.001 0.000 0.292 315 I C 0.391 176.467 176.117 -0.069 0.000 0.989 315 I CA -1.282 59.961 61.300 -0.096 0.000 1.188 315 I CB 1.563 39.508 38.000 -0.091 0.000 1.342 315 I HN 0.445 nan 8.210 nan 0.000 0.457 316 K N 5.437 125.803 120.400 -0.056 0.000 2.484 316 K HA 0.198 4.519 4.320 0.001 0.000 0.280 316 K C 0.895 177.474 176.600 -0.036 0.000 1.013 316 K CA 0.604 56.866 56.287 -0.043 0.000 1.029 316 K CB 0.354 32.830 32.500 -0.039 0.000 0.902 316 K HN 0.909 nan 8.250 nan 0.000 0.481 317 G N 1.393 110.176 108.800 -0.029 0.000 2.179 317 G HA2 -0.227 3.734 3.960 0.001 0.000 0.257 317 G HA3 -0.227 3.734 3.960 0.001 0.000 0.257 317 G C -0.322 174.562 174.900 -0.027 0.000 1.010 317 G CA 0.169 45.255 45.100 -0.022 0.000 0.736 317 G HN 0.548 nan 8.290 nan 0.000 0.513 318 V N 0.279 120.170 119.914 -0.038 0.000 2.531 318 V HA 0.717 4.838 4.120 0.001 0.000 0.301 318 V C 0.319 176.391 176.094 -0.037 0.000 1.034 318 V CA -0.080 62.191 62.300 -0.049 0.000 0.865 318 V CB 1.977 33.749 31.823 -0.084 0.000 0.995 318 V HN 0.651 nan 8.190 nan 0.000 0.424 319 S N 3.160 118.847 115.700 -0.022 0.000 2.434 319 S HA 0.205 4.676 4.470 0.001 0.000 0.318 319 S C 0.832 175.438 174.600 0.009 0.000 1.062 319 S CA -0.674 57.524 58.200 -0.003 0.000 1.116 319 S CB 0.415 63.618 63.200 0.006 0.000 0.977 319 S HN 0.742 nan 8.310 nan 0.000 0.480 320 D N 4.434 124.843 120.400 0.015 0.000 2.123 320 D HA -0.134 4.507 4.640 0.001 0.000 0.196 320 D C 2.323 178.667 176.300 0.073 0.000 0.992 320 D CA 1.811 55.839 54.000 0.046 0.000 0.833 320 D CB -0.417 40.431 40.800 0.081 0.000 0.954 320 D HN 0.763 nan 8.370 nan 0.000 0.455 321 S N 0.851 116.584 115.700 0.056 0.000 2.368 321 S HA -0.167 4.304 4.470 0.001 0.000 0.225 321 S C 2.192 176.857 174.600 0.107 0.000 1.030 321 S CA 2.240 60.487 58.200 0.078 0.000 0.999 321 S CB -0.658 62.568 63.200 0.044 0.000 0.844 321 S HN 0.391 nan 8.310 nan 0.000 0.459 322 E N 1.193 121.433 120.200 0.067 0.000 2.152 322 E HA -0.100 4.250 4.350 0.001 0.000 0.192 322 E C 1.859 178.497 176.600 0.062 0.000 0.983 322 E CA 1.223 57.657 56.400 0.056 0.000 0.818 322 E CB -0.632 29.087 29.700 0.032 0.000 0.758 322 E HN 0.713 nan 8.360 nan 0.000 0.467 323 E N -0.649 119.592 120.200 0.068 0.000 2.106 323 E HA -0.075 4.275 4.350 0.001 0.000 0.192 323 E C 1.902 178.565 176.600 0.105 0.000 0.984 323 E CA 0.770 57.209 56.400 0.065 0.000 0.806 323 E CB -0.429 29.294 29.700 0.039 0.000 0.750 323 E HN 0.569 nan 8.360 nan 0.000 0.458 324 F N 2.636 122.575 119.950 -0.018 0.000 2.091 324 F HA -0.256 4.272 4.527 0.001 0.000 0.299 324 F C 1.990 177.785 175.800 -0.009 0.000 1.103 324 F CA 1.482 59.460 58.000 -0.038 0.000 1.228 324 F CB 0.012 38.963 39.000 -0.082 0.000 0.984 324 F HN -0.123 nan 8.300 nan 0.000 0.477 325 K N 0.369 120.764 120.400 -0.008 0.000 2.057 325 K HA -0.122 4.199 4.320 0.001 0.000 0.207 325 K C 2.339 178.896 176.600 -0.073 0.000 1.049 325 K CA 1.532 57.780 56.287 -0.065 0.000 0.931 325 K CB -0.918 31.588 32.500 0.011 0.000 0.714 325 K HN 0.368 nan 8.250 nan 0.000 0.440 326 I N 0.881 121.434 120.570 -0.028 0.000 2.315 326 I HA -0.217 3.954 4.170 0.001 0.000 0.248 326 I C 1.862 177.968 176.117 -0.018 0.000 1.117 326 I CA 1.195 62.489 61.300 -0.010 0.000 1.404 326 I CB -0.482 37.527 38.000 0.016 0.000 1.071 326 I HN 0.152 nan 8.210 nan 0.000 0.419 327 T N 0.456 114.987 114.554 -0.038 0.000 2.777 327 T HA -0.098 4.253 4.350 0.001 0.000 0.266 327 T C 2.055 176.722 174.700 -0.055 0.000 1.040 327 T CA 0.949 63.041 62.100 -0.014 0.000 1.141 327 T CB -0.143 68.740 68.868 0.025 0.000 0.868 327 T HN 0.252 nan 8.240 nan 0.000 0.444 328 R N 0.810 121.196 120.500 -0.191 0.000 2.096 328 R HA -0.067 4.273 4.340 0.001 0.000 0.235 328 R C 2.590 178.859 176.300 -0.051 0.000 1.127 328 R CA 1.250 57.260 56.100 -0.150 0.000 0.968 328 R CB -0.359 29.745 30.300 -0.327 0.000 0.861 328 R HN 0.454 nan 8.270 nan 0.000 0.440 329 Q N 0.443 120.214 119.800 -0.049 0.000 2.050 329 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 329 Q C 2.018 178.026 176.000 0.013 0.000 0.980 329 Q CA 1.986 57.783 55.803 -0.011 0.000 0.840 329 Q CB -0.147 28.586 28.738 -0.008 0.000 0.898 329 Q HN 0.349 nan 8.270 nan 0.000 0.424 330 A N 0.377 123.207 122.820 0.016 0.000 1.908 330 A HA -0.238 4.083 4.320 0.001 0.000 0.218 330 A C 2.089 179.713 177.584 0.067 0.000 1.181 330 A CA 1.893 53.953 52.037 0.038 0.000 0.627 330 A CB -0.649 18.378 19.000 0.045 0.000 0.818 330 A HN 0.515 nan 8.150 nan 0.000 0.445 331 M N -0.739 118.895 119.600 0.057 0.000 2.159 331 M HA -0.153 4.327 4.480 0.001 0.000 0.263 331 M C 1.568 177.982 176.300 0.189 0.000 1.063 331 M CA 1.569 56.944 55.300 0.124 0.000 1.110 331 M CB -0.710 31.869 32.600 -0.035 0.000 1.374 331 M HN 0.338 nan 8.290 nan 0.000 0.411 332 D N 0.944 121.400 120.400 0.093 0.000 2.092 332 D HA -0.120 4.521 4.640 0.001 0.000 0.193 332 D C 1.951 178.283 176.300 0.052 0.000 0.994 332 D CA 1.365 55.407 54.000 0.070 0.000 0.828 332 D CB -0.261 40.561 40.800 0.038 0.000 0.963 332 D HN 0.362 nan 8.370 nan 0.000 0.450 333 I N 0.588 121.184 120.570 0.043 0.000 2.179 333 I HA -0.231 3.939 4.170 0.001 0.000 0.242 333 I C 2.468 178.591 176.117 0.010 0.000 1.088 333 I CA 0.652 61.964 61.300 0.020 0.000 1.357 333 I CB -0.176 37.834 38.000 0.017 0.000 1.051 333 I HN -0.108 nan 8.210 nan 0.000 0.409 334 V N 0.550 120.489 119.914 0.041 0.000 2.407 334 V HA -0.166 3.954 4.120 0.001 0.000 0.248 334 V C 1.568 177.606 176.094 -0.093 0.000 1.055 334 V CA 1.880 64.177 62.300 -0.005 0.000 1.049 334 V CB -0.806 31.060 31.823 0.072 0.000 0.662 334 V HN 0.788 nan 8.190 nan 0.000 0.455 335 G N -1.533 107.239 108.800 -0.047 0.000 2.161 335 G HA2 -0.136 3.825 3.960 0.001 0.000 0.140 335 G HA3 -0.136 3.825 3.960 0.001 0.000 0.140 335 G C -0.246 174.550 174.900 -0.172 0.000 1.040 335 G CA -0.672 44.353 45.100 -0.126 0.000 0.735 335 G HN 0.261 nan 8.290 nan 0.000 0.496 336 F N 2.825 122.731 119.950 -0.073 0.000 2.456 336 F HA 0.539 5.067 4.527 0.001 0.000 0.358 336 F C 1.419 177.203 175.800 -0.027 0.000 1.095 336 F CA 0.127 58.091 58.000 -0.060 0.000 1.216 336 F CB 1.344 40.305 39.000 -0.065 0.000 1.125 336 F HN 0.229 nan 8.300 nan 0.000 0.549 337 S N 2.327 118.104 115.700 0.129 0.000 2.579 337 S HA 0.037 4.508 4.470 0.001 0.000 0.275 337 S C 1.011 175.673 174.600 0.103 0.000 1.345 337 S CA -0.708 57.544 58.200 0.087 0.000 1.031 337 S CB 1.279 64.517 63.200 0.064 0.000 0.892 337 S HN 0.685 nan 8.310 nan 0.000 0.529 338 Q N 1.027 120.874 119.800 0.078 0.000 2.181 338 Q HA -0.106 4.234 4.340 0.001 0.000 0.205 338 Q C 2.013 178.056 176.000 0.073 0.000 0.980 338 Q CA 2.188 58.038 55.803 0.079 0.000 0.862 338 Q CB -0.407 28.374 28.738 0.071 0.000 0.905 338 Q HN 0.990 nan 8.270 nan 0.000 0.429 339 E N 0.170 120.410 120.200 0.067 0.000 2.028 339 E HA -0.192 4.158 4.350 0.001 0.000 0.191 339 E C 1.611 178.241 176.600 0.050 0.000 0.988 339 E CA 1.457 57.892 56.400 0.058 0.000 0.799 339 E CB -0.062 29.670 29.700 0.054 0.000 0.755 339 E HN 0.422 nan 8.360 nan 0.000 0.447 340 E N -0.002 120.249 120.200 0.085 0.000 2.085 340 E HA -0.252 4.098 4.350 0.001 0.000 0.194 340 E C 2.266 178.863 176.600 -0.004 0.000 0.994 340 E CA 1.433 57.910 56.400 0.128 0.000 0.801 340 E CB -0.055 29.850 29.700 0.341 0.000 0.743 340 E HN 0.388 nan 8.360 nan 0.000 0.453 341 Q N -0.327 119.444 119.800 -0.048 0.000 2.167 341 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 341 Q C 2.065 177.821 176.000 -0.406 0.000 0.970 341 Q CA 1.092 56.698 55.803 -0.329 0.000 0.855 341 Q CB -0.029 28.632 28.738 -0.127 0.000 0.911 341 Q HN 0.220 nan 8.270 nan 0.000 0.438 342 M N 0.077 119.645 119.600 -0.053 0.000 2.067 342 M HA -0.143 4.338 4.480 0.001 0.000 0.260 342 M C 1.956 178.273 176.300 0.029 0.000 1.069 342 M CA 1.779 57.135 55.300 0.093 0.000 1.117 342 M CB -0.136 32.533 32.600 0.115 0.000 1.334 342 M HN -0.046 nan 8.290 nan 0.000 0.407 343 S N 0.527 116.206 115.700 -0.035 0.000 2.383 343 S HA -0.148 4.322 4.470 0.001 0.000 0.229 343 S C 1.948 176.487 174.600 -0.101 0.000 1.030 343 S CA 1.791 59.963 58.200 -0.047 0.000 1.002 343 S CB -0.820 62.335 63.200 -0.076 0.000 0.829 343 S HN 0.570 nan 8.310 nan 0.000 0.467 344 I N 0.557 120.974 120.570 -0.255 0.000 2.179 344 I HA -0.176 3.995 4.170 0.001 0.000 0.242 344 I C 1.887 177.971 176.117 -0.054 0.000 1.088 344 I CA 1.285 62.417 61.300 -0.279 0.000 1.357 344 I CB -0.361 37.346 38.000 -0.489 0.000 1.051 344 I HN 0.203 nan 8.210 nan 0.000 0.409 345 F N 1.202 121.218 119.950 0.109 0.000 2.234 345 F HA -0.140 4.388 4.527 0.001 0.000 0.299 345 F C 2.387 178.222 175.800 0.059 0.000 1.087 345 F CA 0.954 59.018 58.000 0.106 0.000 1.340 345 F CB -1.026 38.058 39.000 0.140 0.000 1.031 345 F HN -0.037 nan 8.300 nan 0.000 0.500 346 K N 0.516 121.044 120.400 0.213 0.000 2.002 346 K HA -0.141 4.180 4.320 0.001 0.000 0.209 346 K C 2.105 178.741 176.600 0.061 0.000 1.048 346 K CA 1.611 57.962 56.287 0.107 0.000 0.930 346 K CB -0.462 32.082 32.500 0.073 0.000 0.714 346 K HN 0.205 nan 8.250 nan 0.000 0.438 347 I N 1.424 122.087 120.570 0.155 0.000 2.151 347 I HA -0.328 3.842 4.170 0.001 0.000 0.243 347 I C 2.200 178.502 176.117 0.308 0.000 1.080 347 I CA 1.079 62.569 61.300 0.317 0.000 1.339 347 I CB -0.516 37.637 38.000 0.255 0.000 1.039 347 I HN 0.154 nan 8.210 nan 0.000 0.409 348 I N 1.194 121.912 120.570 0.246 0.000 2.226 348 I HA -0.260 3.911 4.170 0.001 0.000 0.245 348 I C 2.895 179.114 176.117 0.170 0.000 1.100 348 I CA 1.764 63.212 61.300 0.246 0.000 1.374 348 I CB -1.592 36.466 38.000 0.096 0.000 1.057 348 I HN 0.208 nan 8.210 nan 0.000 0.413 349 A N 1.056 123.893 122.820 0.028 0.000 1.858 349 A HA -0.087 4.234 4.320 0.001 0.000 0.216 349 A C 2.547 179.962 177.584 -0.281 0.000 1.190 349 A CA 1.878 53.815 52.037 -0.168 0.000 0.617 349 A CB -1.440 17.526 19.000 -0.058 0.000 0.827 349 A HN 0.405 nan 8.150 nan 0.000 0.443 350 G N 0.090 108.733 108.800 -0.263 0.000 2.469 350 G HA2 -0.270 3.691 3.960 0.001 0.000 0.219 350 G HA3 -0.270 3.691 3.960 0.001 0.000 0.219 350 G C 1.540 176.504 174.900 0.107 0.000 1.150 350 G CA 1.237 46.016 45.100 -0.536 0.000 0.763 350 G HN 0.480 nan 8.290 nan 0.000 0.561 351 I N 0.310 121.091 120.570 0.351 0.000 2.127 351 I HA -0.192 3.978 4.170 0.001 0.000 0.241 351 I C 2.812 179.070 176.117 0.235 0.000 1.075 351 I CA 0.875 62.444 61.300 0.448 0.000 1.334 351 I CB -0.295 38.016 38.000 0.518 0.000 1.040 351 I HN 0.150 nan 8.210 nan 0.000 0.405 352 L N -0.181 121.036 121.223 -0.010 0.000 2.043 352 L HA -0.298 4.042 4.340 0.001 0.000 0.212 352 L C 2.793 179.530 176.870 -0.221 0.000 1.075 352 L CA 1.422 56.070 54.840 -0.320 0.000 0.752 352 L CB -1.038 40.498 42.059 -0.873 0.000 0.891 352 L HN 0.404 nan 8.230 nan 0.000 0.432 353 H N -0.129 118.944 119.070 0.004 0.000 2.293 353 H HA -0.127 4.429 4.556 0.001 0.000 0.300 353 H C 2.415 177.755 175.328 0.020 0.000 1.082 353 H CA 1.322 57.397 56.048 0.045 0.000 1.308 353 H CB -0.536 29.225 29.762 -0.002 0.000 1.375 353 H HN 0.279 nan 8.280 nan 0.000 0.495 354 L N -0.055 121.303 121.223 0.226 0.000 2.051 354 L HA -0.172 4.169 4.340 0.001 0.000 0.214 354 L C 2.698 179.540 176.870 -0.046 0.000 1.076 354 L CA 1.398 56.352 54.840 0.191 0.000 0.758 354 L CB -0.918 41.349 42.059 0.347 0.000 0.890 354 L HN 0.342 nan 8.230 nan 0.000 0.433 355 G N -0.791 107.776 108.800 -0.388 0.000 2.471 355 G HA2 -0.220 3.740 3.960 0.001 0.000 0.219 355 G HA3 -0.220 3.740 3.960 0.001 0.000 0.219 355 G C 1.260 175.826 174.900 -0.556 0.000 1.125 355 G CA 0.442 44.799 45.100 -1.238 0.000 0.775 355 G HN 0.321 nan 8.290 nan 0.000 0.548 356 N N 0.056 118.609 118.700 -0.246 0.000 2.336 356 N HA 0.157 4.898 4.740 0.001 0.000 0.189 356 N C 0.479 175.917 175.510 -0.121 0.000 1.113 356 N CA -0.165 52.818 53.050 -0.111 0.000 0.858 356 N CB 0.205 38.715 38.487 0.038 0.000 0.970 356 N HN 0.271 nan 8.380 nan 0.000 0.471 357 I N 1.351 121.821 120.570 -0.167 0.000 2.533 357 I HA -0.033 4.137 4.170 0.001 0.000 0.284 357 I C 0.628 176.512 176.117 -0.388 0.000 1.109 357 I CA -0.142 60.987 61.300 -0.286 0.000 1.412 357 I CB 0.447 38.242 38.000 -0.343 0.000 1.396 357 I HN -0.121 nan 8.210 nan 0.000 0.543 358 K N 7.539 127.726 120.400 -0.355 0.000 2.235 358 K HA 0.455 4.776 4.320 0.001 0.000 0.266 358 K C -1.312 175.102 176.600 -0.311 0.000 0.980 358 K CA -0.280 55.856 56.287 -0.252 0.000 0.849 358 K CB 0.764 33.196 32.500 -0.112 0.000 1.098 358 K HN 0.244 nan 8.250 nan 0.000 0.445 359 F N 2.449 122.417 119.950 0.031 0.000 2.399 359 F HA 0.375 4.903 4.527 0.001 0.000 0.334 359 F C 0.317 176.139 175.800 0.036 0.000 1.097 359 F CA -0.393 57.630 58.000 0.038 0.000 1.076 359 F CB 1.686 40.714 39.000 0.047 0.000 1.162 359 F HN 0.527 nan 8.300 nan 0.000 0.495 360 E N 0.852 121.194 120.200 0.236 0.000 2.336 360 E HA 0.673 5.024 4.350 0.001 0.000 0.267 360 E C -0.032 176.646 176.600 0.130 0.000 0.906 360 E CA -0.824 55.661 56.400 0.141 0.000 0.781 360 E CB 1.785 31.537 29.700 0.086 0.000 1.261 360 E HN 0.565 nan 8.360 nan 0.000 0.436 361 K N 0.187 120.637 120.400 0.084 0.000 3.169 361 K HA 0.768 5.088 4.320 0.001 0.000 0.251 361 K C 1.199 177.820 176.600 0.034 0.000 0.992 361 K CA 0.330 56.651 56.287 0.056 0.000 1.643 361 K CB -1.038 31.487 32.500 0.042 0.000 2.979 361 K HN 0.835 nan 8.250 nan 0.000 0.905 362 G N -0.632 108.178 108.800 0.018 0.000 5.426 362 G HA2 -0.129 3.831 3.960 0.001 0.000 0.297 362 G HA3 -0.129 3.831 3.960 0.001 0.000 0.297 362 G C 1.899 176.795 174.900 -0.006 0.000 1.422 362 G CA 2.601 47.706 45.100 0.008 0.000 0.938 362 G HN 1.965 nan 8.290 nan 0.000 0.754 363 A N -0.026 122.789 122.820 -0.007 0.000 2.039 363 A HA 0.187 4.508 4.320 0.001 0.000 0.228 363 A C 2.616 180.175 177.584 -0.041 0.000 1.379 363 A CA 3.689 55.713 52.037 -0.022 0.000 0.704 363 A CB -0.791 18.195 19.000 -0.024 0.000 0.831 363 A HN 2.649 nan 8.150 nan 0.000 0.514 364 G N -4.781 103.989 108.800 -0.050 0.000 2.929 364 G HA2 0.498 4.459 3.960 0.001 0.000 0.123 364 G HA3 0.498 4.459 3.960 0.001 0.000 0.123 364 G C 0.421 175.294 174.900 -0.044 0.000 1.212 364 G CA 0.937 46.002 45.100 -0.058 0.000 1.238 364 G HN 0.771 nan 8.290 nan 0.000 0.617 365 E N -0.376 119.790 120.200 -0.057 0.000 2.490 365 E HA 0.525 4.876 4.350 0.001 0.000 0.209 365 E C 1.165 177.750 176.600 -0.025 0.000 0.971 365 E CA 0.697 57.080 56.400 -0.029 0.000 0.988 365 E CB 0.513 30.203 29.700 -0.018 0.000 1.029 365 E HN 1.120 nan 8.360 nan 0.000 0.496 366 G N -0.051 108.692 108.800 -0.095 0.000 2.507 366 G HA2 0.557 4.518 3.960 0.001 0.000 0.271 366 G HA3 0.557 4.518 3.960 0.001 0.000 0.271 366 G C 0.213 175.136 174.900 0.038 0.000 1.189 366 G CA 0.228 45.263 45.100 -0.109 0.000 0.859 366 G HN 0.749 nan 8.290 nan 0.000 0.542 367 A N -0.256 122.750 122.820 0.310 0.000 2.293 367 A HA 0.812 5.133 4.320 0.001 0.000 0.302 367 A C -0.006 177.787 177.584 0.349 0.000 1.119 367 A CA -0.352 51.841 52.037 0.261 0.000 0.823 367 A CB 1.106 20.166 19.000 0.100 0.000 1.097 367 A HN 1.587 nan 8.150 nan 0.000 0.491 368 V N -0.890 119.186 119.914 0.270 0.000 3.206 368 V HA 0.624 4.745 4.120 0.001 0.000 0.305 368 V C -1.208 175.011 176.094 0.210 0.000 1.257 368 V CA -0.825 61.614 62.300 0.232 0.000 1.057 368 V CB 1.747 33.662 31.823 0.152 0.000 1.075 368 V HN 0.664 nan 8.190 nan 0.000 0.443 369 L N 1.436 122.744 121.223 0.141 0.000 2.387 369 L HA 0.544 4.885 4.340 0.001 0.000 0.259 369 L C 1.035 177.924 176.870 0.032 0.000 1.050 369 L CA 0.057 54.937 54.840 0.066 0.000 0.922 369 L CB 0.584 42.670 42.059 0.045 0.000 1.280 369 L HN 0.808 nan 8.230 nan 0.000 0.449 370 K N 0.561 120.976 120.400 0.024 0.000 2.002 370 K HA -0.075 4.246 4.320 0.001 0.000 0.209 370 K C 0.447 177.042 176.600 -0.007 0.000 1.048 370 K CA 1.260 57.555 56.287 0.012 0.000 0.930 370 K CB 0.196 32.704 32.500 0.013 0.000 0.714 370 K HN 0.513 nan 8.250 nan 0.000 0.438 371 D N -0.433 119.953 120.400 -0.023 0.000 2.168 371 D HA 0.156 4.796 4.640 0.001 0.000 0.246 371 D C -0.613 175.657 176.300 -0.050 0.000 1.050 371 D CA -0.109 53.870 54.000 -0.035 0.000 0.857 371 D CB 1.385 42.160 40.800 -0.041 0.000 1.169 371 D HN -0.083 nan 8.370 nan 0.000 0.453 372 K N 1.411 121.783 120.400 -0.047 0.000 2.478 372 K HA 0.152 4.473 4.320 0.001 0.000 0.205 372 K C 1.359 177.917 176.600 -0.070 0.000 1.033 372 K CA -0.125 56.129 56.287 -0.055 0.000 1.091 372 K CB 0.751 33.228 32.500 -0.038 0.000 0.844 372 K HN 0.306 nan 8.250 nan 0.000 0.507 373 T N 0.959 115.470 114.554 -0.072 0.000 2.635 373 T HA -0.271 4.080 4.350 0.001 0.000 0.267 373 T C 2.108 176.734 174.700 -0.125 0.000 1.040 373 T CA 1.789 63.836 62.100 -0.087 0.000 1.156 373 T CB -0.295 68.532 68.868 -0.068 0.000 0.863 373 T HN 0.356 nan 8.240 nan 0.000 0.430 374 A N 1.795 124.555 122.820 -0.101 0.000 1.859 374 A HA -0.095 4.225 4.320 0.001 0.000 0.217 374 A C 2.347 179.877 177.584 -0.089 0.000 1.198 374 A CA 1.999 53.985 52.037 -0.086 0.000 0.629 374 A CB -1.141 17.825 19.000 -0.058 0.000 0.830 374 A HN 0.462 nan 8.150 nan 0.000 0.446 375 L N 0.444 121.624 121.223 -0.072 0.000 2.051 375 L HA -0.259 4.082 4.340 0.001 0.000 0.214 375 L C 1.831 178.666 176.870 -0.058 0.000 1.076 375 L CA 2.706 57.526 54.840 -0.034 0.000 0.758 375 L CB -0.737 41.304 42.059 -0.030 0.000 0.890 375 L HN 0.406 nan 8.230 nan 0.000 0.433 376 N N 0.199 118.835 118.700 -0.107 0.000 2.188 376 N HA -0.119 4.622 4.740 0.001 0.000 0.184 376 N C 1.846 177.212 175.510 -0.241 0.000 1.018 376 N CA 1.446 54.413 53.050 -0.137 0.000 0.858 376 N CB -0.432 37.981 38.487 -0.123 0.000 0.989 376 N HN 0.597 nan 8.380 nan 0.000 0.426 377 A N 1.460 124.058 122.820 -0.370 0.000 1.851 377 A HA -0.040 4.281 4.320 0.001 0.000 0.216 377 A C 2.443 179.742 177.584 -0.475 0.000 1.195 377 A CA 2.166 53.777 52.037 -0.710 0.000 0.622 377 A CB -1.024 17.343 19.000 -1.055 0.000 0.831 377 A HN 0.309 nan 8.150 nan 0.000 0.444 378 A N -0.205 122.500 122.820 -0.191 0.000 1.883 378 A HA -0.118 4.202 4.320 0.001 0.000 0.217 378 A C 2.449 180.030 177.584 -0.006 0.000 1.186 378 A CA 2.391 54.418 52.037 -0.018 0.000 0.624 378 A CB -1.097 18.082 19.000 0.299 0.000 0.822 378 A HN 0.576 nan 8.150 nan 0.000 0.444 379 S N -0.422 115.306 115.700 0.046 0.000 2.365 379 S HA -0.232 4.238 4.470 0.001 0.000 0.225 379 S C 2.208 176.796 174.600 -0.020 0.000 1.039 379 S CA 2.099 60.324 58.200 0.041 0.000 1.033 379 S CB -1.131 62.054 63.200 -0.024 0.000 0.887 379 S HN 0.875 nan 8.310 nan 0.000 0.447 380 T N 2.658 117.150 114.554 -0.103 0.000 2.652 380 T HA -0.151 4.200 4.350 0.001 0.000 0.267 380 T C 2.007 176.672 174.700 -0.058 0.000 1.039 380 T CA 2.223 64.270 62.100 -0.088 0.000 1.153 380 T CB -0.982 67.823 68.868 -0.105 0.000 0.863 380 T HN 0.358 nan 8.240 nan 0.000 0.428 381 V N -1.008 118.832 119.914 -0.123 0.000 2.332 381 V HA -0.027 4.094 4.120 0.001 0.000 0.248 381 V C 2.402 178.444 176.094 -0.086 0.000 1.055 381 V CA 1.978 64.207 62.300 -0.118 0.000 1.038 381 V CB -1.547 30.184 31.823 -0.153 0.000 0.651 381 V HN 0.574 nan 8.190 nan 0.000 0.450 382 F N 2.041 122.037 119.950 0.077 0.000 2.293 382 F HA 0.407 4.934 4.527 0.001 0.000 0.297 382 F C 2.051 177.846 175.800 -0.009 0.000 1.089 382 F CA 0.882 58.927 58.000 0.077 0.000 1.377 382 F CB -0.457 38.618 39.000 0.125 0.000 1.051 382 F HN 0.452 nan 8.300 nan 0.000 0.511 383 G N 1.317 110.190 108.800 0.122 0.000 2.248 383 G HA2 -0.127 3.834 3.960 0.001 0.000 0.252 383 G HA3 -0.127 3.834 3.960 0.001 0.000 0.252 383 G C -0.341 174.532 174.900 -0.044 0.000 1.085 383 G CA -0.001 45.117 45.100 0.029 0.000 0.845 383 G HN 0.447 nan 8.290 nan 0.000 0.494 384 V N -3.571 116.280 119.914 -0.104 0.000 3.158 384 V HA 0.792 4.913 4.120 0.001 0.000 0.315 384 V C 0.302 176.292 176.094 -0.174 0.000 1.148 384 V CA -1.947 60.210 62.300 -0.238 0.000 1.042 384 V CB 1.966 33.450 31.823 -0.564 0.000 1.101 384 V HN 0.163 nan 8.190 nan 0.000 0.448 385 N N 2.038 120.627 118.700 -0.184 0.000 2.411 385 N HA 0.394 5.134 4.740 0.001 0.000 0.259 385 N C -1.922 173.523 175.510 -0.108 0.000 1.103 385 N CA -1.778 51.200 53.050 -0.120 0.000 0.954 385 N CB 1.706 40.135 38.487 -0.098 0.000 1.085 385 N HN 0.466 nan 8.380 nan 0.000 0.485 386 P HA -0.062 nan 4.420 nan 0.000 0.222 386 P C 1.151 178.432 177.300 -0.033 0.000 1.147 386 P CA 0.925 63.997 63.100 -0.047 0.000 0.790 386 P CB 0.517 32.193 31.700 -0.040 0.000 0.780 387 S N -1.251 114.427 115.700 -0.037 0.000 2.395 387 S HA -0.038 4.433 4.470 0.001 0.000 0.225 387 S C 1.806 176.391 174.600 -0.025 0.000 1.027 387 S CA 0.582 58.769 58.200 -0.022 0.000 0.965 387 S CB -0.737 62.452 63.200 -0.018 0.000 0.812 387 S HN -0.123 nan 8.310 nan 0.000 0.482 388 V N 1.986 121.872 119.914 -0.047 0.000 2.427 388 V HA -0.097 4.023 4.120 0.001 0.000 0.248 388 V C 2.291 178.356 176.094 -0.049 0.000 1.051 388 V CA 1.360 63.627 62.300 -0.055 0.000 1.048 388 V CB -0.584 31.186 31.823 -0.087 0.000 0.666 388 V HN 0.395 nan 8.190 nan 0.000 0.456 389 L N 0.416 121.603 121.223 -0.060 0.000 1.994 389 L HA -0.162 4.179 4.340 0.001 0.000 0.208 389 L C 2.441 179.340 176.870 0.048 0.000 1.071 389 L CA 2.235 57.064 54.840 -0.017 0.000 0.745 389 L CB -0.836 41.205 42.059 -0.031 0.000 0.892 389 L HN 0.414 nan 8.230 nan 0.000 0.431 390 E N -0.666 119.559 120.200 0.041 0.000 2.070 390 E HA -0.289 4.062 4.350 0.001 0.000 0.197 390 E C 2.223 178.853 176.600 0.049 0.000 1.004 390 E CA 1.613 58.055 56.400 0.069 0.000 0.805 390 E CB -0.022 29.706 29.700 0.048 0.000 0.744 390 E HN 0.461 nan 8.360 nan 0.000 0.451 391 K N -0.303 120.105 120.400 0.014 0.000 2.026 391 K HA -0.117 4.203 4.320 0.001 0.000 0.208 391 K C 2.125 178.714 176.600 -0.018 0.000 1.048 391 K CA 1.037 57.316 56.287 -0.013 0.000 0.929 391 K CB -0.150 32.341 32.500 -0.014 0.000 0.713 391 K HN 0.120 nan 8.250 nan 0.000 0.439 392 A N 1.171 123.994 122.820 0.004 0.000 2.019 392 A HA -0.128 4.193 4.320 0.001 0.000 0.219 392 A C 2.038 179.636 177.584 0.023 0.000 1.164 392 A CA 1.209 53.255 52.037 0.015 0.000 0.644 392 A CB -0.487 18.534 19.000 0.034 0.000 0.805 392 A HN 0.160 nan 8.150 nan 0.000 0.449 393 L N -1.644 119.610 121.223 0.051 0.000 2.007 393 L HA -0.109 4.232 4.340 0.001 0.000 0.205 393 L C 2.564 179.400 176.870 -0.056 0.000 1.073 393 L CA 1.721 56.601 54.840 0.067 0.000 0.744 393 L CB -0.369 41.828 42.059 0.230 0.000 0.898 393 L HN 0.413 nan 8.230 nan 0.000 0.435 394 M N -2.034 117.516 119.600 -0.083 0.000 2.337 394 M HA 0.131 4.612 4.480 0.001 0.000 0.256 394 M C 0.091 176.186 176.300 -0.342 0.000 1.075 394 M CA 0.592 55.752 55.300 -0.232 0.000 1.024 394 M CB 0.685 33.155 32.600 -0.217 0.000 1.429 394 M HN 0.025 nan 8.290 nan 0.000 0.497 395 E N 1.835 121.902 120.200 -0.222 0.000 4.129 395 E HA 0.255 4.605 4.350 0.001 0.000 0.222 395 E C -2.545 174.002 176.600 -0.089 0.000 1.179 395 E CA -1.435 54.845 56.400 -0.199 0.000 1.334 395 E CB 1.210 30.799 29.700 -0.185 0.000 1.202 395 E HN 0.104 nan 8.360 nan 0.000 0.428 396 P HA 0.068 nan 4.420 nan 0.000 0.271 396 P C -0.332 176.955 177.300 -0.021 0.000 1.218 396 P CA -0.122 62.958 63.100 -0.032 0.000 0.780 396 P CB 0.803 32.489 31.700 -0.024 0.000 0.901 397 R N 1.999 122.494 120.500 -0.008 0.000 2.298 397 R HA 0.426 4.766 4.340 0.001 0.000 0.310 397 R C -0.205 176.097 176.300 0.003 0.000 1.068 397 R CA -0.473 55.627 56.100 -0.001 0.000 0.957 397 R CB 0.006 30.308 30.300 0.003 0.000 1.003 397 R HN 0.403 nan 8.270 nan 0.000 0.454 398 I N 3.482 124.054 120.570 0.004 0.000 2.433 398 I HA 0.113 4.284 4.170 0.001 0.000 0.292 398 I C -0.600 175.522 176.117 0.009 0.000 1.001 398 I CA -0.914 60.390 61.300 0.007 0.000 1.119 398 I CB 1.599 39.603 38.000 0.006 0.000 1.289 398 I HN 0.348 nan 8.210 nan 0.000 0.438 399 L N 7.124 128.352 121.223 0.010 0.000 2.600 399 L HA 0.343 4.684 4.340 0.001 0.000 0.278 399 L C 0.719 177.593 176.870 0.008 0.000 1.139 399 L CA 0.050 54.895 54.840 0.009 0.000 0.933 399 L CB -0.424 41.641 42.059 0.009 0.000 1.266 399 L HN 0.746 nan 8.230 nan 0.000 0.471 400 A N 4.237 127.062 122.820 0.009 0.000 3.258 400 A HA 0.609 4.930 4.320 0.001 0.000 0.275 400 A C 1.262 178.851 177.584 0.008 0.000 1.452 400 A CA 0.336 52.379 52.037 0.009 0.000 1.120 400 A CB -0.912 18.094 19.000 0.011 0.000 1.107 400 A HN 1.308 nan 8.150 nan 0.000 0.651 401 G N 0.726 109.530 108.800 0.006 0.000 3.692 401 G HA2 -0.276 3.685 3.960 0.001 0.000 0.265 401 G HA3 -0.276 3.685 3.960 0.001 0.000 0.265 401 G C 1.165 176.067 174.900 0.005 0.000 1.733 401 G CA 0.307 45.410 45.100 0.005 0.000 1.144 401 G HN 0.475 nan 8.290 nan 0.000 0.602 402 R N 1.192 121.696 120.500 0.006 0.000 2.254 402 R HA 0.199 4.539 4.340 0.001 0.000 0.193 402 R C -0.353 175.951 176.300 0.006 0.000 0.929 402 R CA 0.328 56.431 56.100 0.005 0.000 1.038 402 R CB 0.117 30.420 30.300 0.005 0.000 1.009 402 R HN 0.427 nan 8.270 nan 0.000 0.512 403 D N 0.979 121.383 120.400 0.007 0.000 2.351 403 D HA 0.112 4.752 4.640 0.001 0.000 0.251 403 D C -0.919 175.386 176.300 0.009 0.000 1.137 403 D CA 0.040 54.044 54.000 0.008 0.000 0.879 403 D CB 1.286 42.091 40.800 0.009 0.000 1.181 403 D HN -0.111 nan 8.370 nan 0.000 0.448 404 L N 4.018 125.247 121.223 0.009 0.000 2.337 404 L HA 0.397 4.738 4.340 0.001 0.000 0.269 404 L C -1.480 175.396 176.870 0.009 0.000 1.018 404 L CA -0.451 54.394 54.840 0.009 0.000 0.876 404 L CB 0.926 42.990 42.059 0.009 0.000 1.236 404 L HN 0.115 nan 8.230 nan 0.000 0.436 405 V N 3.716 123.636 119.914 0.010 0.000 2.628 405 V HA 0.774 4.895 4.120 0.001 0.000 0.306 405 V C 0.546 176.645 176.094 0.010 0.000 1.045 405 V CA -0.607 61.700 62.300 0.011 0.000 0.905 405 V CB 1.576 33.407 31.823 0.013 0.000 0.997 405 V HN 0.810 nan 8.190 nan 0.000 0.436 406 A N 4.075 126.900 122.820 0.010 0.000 2.388 406 A HA 0.597 4.918 4.320 0.001 0.000 0.257 406 A C -0.077 177.513 177.584 0.010 0.000 1.095 406 A CA -0.350 51.689 52.037 0.004 0.000 0.791 406 A CB 0.326 19.326 19.000 0.001 0.000 1.029 406 A HN 0.781 nan 8.150 nan 0.000 0.489 407 Q N 1.143 120.941 119.800 -0.003 0.000 2.306 407 Q HA 0.241 4.582 4.340 0.001 0.000 0.265 407 Q C -1.047 174.947 176.000 -0.009 0.000 1.022 407 Q CA -0.640 55.171 55.803 0.013 0.000 0.853 407 Q CB 1.958 30.700 28.738 0.006 0.000 1.327 407 Q HN 0.809 nan 8.270 nan 0.000 0.449 408 H N 3.206 122.271 119.070 -0.009 0.000 2.820 408 H HA 0.311 4.868 4.556 0.001 0.000 0.278 408 H C -0.620 174.691 175.328 -0.027 0.000 1.142 408 H CA -0.184 55.857 56.048 -0.013 0.000 1.346 408 H CB 0.006 29.766 29.762 -0.004 0.000 1.438 408 H HN 0.457 nan 8.280 nan 0.000 0.473 409 L N 4.432 125.633 121.223 -0.037 0.000 2.395 409 L HA 0.070 4.410 4.340 0.001 0.000 0.269 409 L C 1.137 178.039 176.870 0.054 0.000 1.133 409 L CA -0.783 54.054 54.840 -0.006 0.000 0.812 409 L CB 0.481 42.472 42.059 -0.113 0.000 1.125 409 L HN 0.669 nan 8.230 nan 0.000 0.452 410 N N 1.655 120.369 118.700 0.023 0.000 2.255 410 N HA 0.005 4.746 4.740 0.001 0.000 0.253 410 N C 0.690 176.163 175.510 -0.061 0.000 1.313 410 N CA -0.540 52.520 53.050 0.016 0.000 0.912 410 N CB 0.189 38.681 38.487 0.009 0.000 1.145 410 N HN 0.286 nan 8.380 nan 0.000 0.511 411 V N -0.585 119.313 119.914 -0.026 0.000 2.307 411 V HA -0.181 3.939 4.120 0.001 0.000 0.245 411 V C 2.503 178.547 176.094 -0.084 0.000 1.045 411 V CA 2.061 64.335 62.300 -0.042 0.000 1.024 411 V CB -0.989 30.888 31.823 0.090 0.000 0.651 411 V HN 0.798 nan 8.190 nan 0.000 0.449 412 E N 0.779 120.962 120.200 -0.029 0.000 2.000 412 E HA -0.323 4.028 4.350 0.001 0.000 0.199 412 E C 2.267 178.835 176.600 -0.053 0.000 1.011 412 E CA 2.067 58.460 56.400 -0.012 0.000 0.836 412 E CB -0.240 29.462 29.700 0.003 0.000 0.778 412 E HN 0.391 nan 8.360 nan 0.000 0.462 413 K N 0.478 120.840 120.400 -0.063 0.000 2.089 413 K HA -0.120 4.201 4.320 0.001 0.000 0.210 413 K C 2.412 178.921 176.600 -0.151 0.000 1.048 413 K CA 1.698 57.940 56.287 -0.075 0.000 0.926 413 K CB -0.517 31.947 32.500 -0.061 0.000 0.714 413 K HN 0.026 nan 8.250 nan 0.000 0.448 414 S N -0.594 114.939 115.700 -0.278 0.000 2.348 414 S HA -0.174 4.296 4.470 0.001 0.000 0.221 414 S C 2.016 176.295 174.600 -0.534 0.000 1.033 414 S CA 1.577 59.431 58.200 -0.576 0.000 1.010 414 S CB -0.495 62.050 63.200 -1.091 0.000 0.891 414 S HN 0.454 nan 8.310 nan 0.000 0.442 415 S N 1.035 116.541 115.700 -0.325 0.000 2.359 415 S HA -0.115 4.356 4.470 0.001 0.000 0.224 415 S C 2.040 176.709 174.600 0.114 0.000 1.035 415 S CA 1.863 60.115 58.200 0.087 0.000 1.018 415 S CB -0.515 62.831 63.200 0.243 0.000 0.876 415 S HN 0.540 nan 8.310 nan 0.000 0.448 416 S N 0.712 116.436 115.700 0.041 0.000 2.383 416 S HA -0.097 4.374 4.470 0.001 0.000 0.229 416 S C 2.109 176.739 174.600 0.050 0.000 1.030 416 S CA 1.320 59.550 58.200 0.049 0.000 1.002 416 S CB -0.723 62.489 63.200 0.020 0.000 0.829 416 S HN 0.616 nan 8.310 nan 0.000 0.467 417 S N 1.383 117.093 115.700 0.017 0.000 2.368 417 S HA -0.107 4.363 4.470 0.001 0.000 0.225 417 S C 2.116 176.764 174.600 0.080 0.000 1.030 417 S CA 0.839 59.054 58.200 0.025 0.000 0.999 417 S CB -0.304 62.885 63.200 -0.017 0.000 0.844 417 S HN 0.414 nan 8.310 nan 0.000 0.459 418 R N 0.938 121.521 120.500 0.138 0.000 2.083 418 R HA -0.118 4.222 4.340 0.001 0.000 0.237 418 R C 1.411 177.835 176.300 0.207 0.000 1.137 418 R CA 2.082 58.320 56.100 0.230 0.000 0.951 418 R CB -0.976 29.556 30.300 0.387 0.000 0.851 418 R HN 0.388 nan 8.270 nan 0.000 0.434 419 D N 0.245 120.760 120.400 0.192 0.000 2.144 419 D HA -0.093 4.548 4.640 0.001 0.000 0.199 419 D C 1.696 178.053 176.300 0.095 0.000 0.984 419 D CA 1.509 55.608 54.000 0.164 0.000 0.834 419 D CB -0.194 40.688 40.800 0.137 0.000 0.955 419 D HN 0.372 nan 8.370 nan 0.000 0.465 420 A N 0.551 123.414 122.820 0.073 0.000 1.969 420 A HA -0.095 4.225 4.320 0.001 0.000 0.218 420 A C 2.147 179.750 177.584 0.030 0.000 1.169 420 A CA 0.819 52.882 52.037 0.042 0.000 0.635 420 A CB -0.539 18.479 19.000 0.030 0.000 0.810 420 A HN 0.270 nan 8.150 nan 0.000 0.445 421 L N -0.294 120.949 121.223 0.034 0.000 2.056 421 L HA -0.074 4.267 4.340 0.001 0.000 0.207 421 L C 2.274 179.128 176.870 -0.026 0.000 1.078 421 L CA 1.837 56.657 54.840 -0.033 0.000 0.749 421 L CB -0.538 41.482 42.059 -0.064 0.000 0.901 421 L HN 0.107 nan 8.230 nan 0.000 0.433 422 V N 0.183 120.141 119.914 0.074 0.000 2.261 422 V HA -0.325 3.796 4.120 0.001 0.000 0.246 422 V C 2.645 178.803 176.094 0.107 0.000 1.047 422 V CA 2.351 64.732 62.300 0.136 0.000 1.015 422 V CB -0.667 31.290 31.823 0.224 0.000 0.642 422 V HN 0.489 nan 8.190 nan 0.000 0.446 423 K N 0.198 120.637 120.400 0.066 0.000 2.103 423 K HA -0.173 4.148 4.320 0.001 0.000 0.207 423 K C 2.224 178.864 176.600 0.067 0.000 1.048 423 K CA 1.580 57.910 56.287 0.071 0.000 0.930 423 K CB -0.436 32.090 32.500 0.044 0.000 0.716 423 K HN 0.498 nan 8.250 nan 0.000 0.444 424 A N 1.098 123.924 122.820 0.010 0.000 1.969 424 A HA -0.079 4.241 4.320 0.001 0.000 0.218 424 A C 2.088 179.612 177.584 -0.100 0.000 1.169 424 A CA 1.049 53.050 52.037 -0.060 0.000 0.635 424 A CB -0.455 18.486 19.000 -0.099 0.000 0.810 424 A HN 0.133 nan 8.150 nan 0.000 0.445 425 L N -2.462 118.735 121.223 -0.043 0.000 2.027 425 L HA -0.173 4.167 4.340 0.001 0.000 0.206 425 L C 2.531 179.426 176.870 0.042 0.000 1.074 425 L CA 1.725 56.545 54.840 -0.033 0.000 0.745 425 L CB -0.646 41.407 42.059 -0.010 0.000 0.898 425 L HN 0.521 nan 8.230 nan 0.000 0.433 426 Y N 0.569 120.885 120.300 0.026 0.000 2.128 426 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 426 Y C 2.400 178.302 175.900 0.003 0.000 1.154 426 Y CA 1.801 59.930 58.100 0.049 0.000 1.149 426 Y CB -0.490 38.015 38.460 0.076 0.000 0.976 426 Y HN 0.124 nan 8.280 nan 0.000 0.505 427 G N -0.674 108.186 108.800 0.100 0.000 2.408 427 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 427 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 427 G C 1.695 176.580 174.900 -0.024 0.000 1.150 427 G CA 0.718 45.835 45.100 0.029 0.000 0.776 427 G HN 0.310 nan 8.290 nan 0.000 0.542 428 R N -0.730 119.716 120.500 -0.091 0.000 2.090 428 R HA 0.088 4.429 4.340 0.001 0.000 0.228 428 R C 2.433 178.675 176.300 -0.096 0.000 1.110 428 R CA 0.842 56.862 56.100 -0.133 0.000 0.973 428 R CB -0.446 29.687 30.300 -0.278 0.000 0.869 428 R HN 0.357 nan 8.270 nan 0.000 0.440 429 L N 0.225 121.364 121.223 -0.140 0.000 2.042 429 L HA -0.150 4.191 4.340 0.001 0.000 0.210 429 L C 1.894 178.674 176.870 -0.151 0.000 1.076 429 L CA 1.656 56.396 54.840 -0.167 0.000 0.749 429 L CB -0.497 41.403 42.059 -0.266 0.000 0.893 429 L HN 0.057 nan 8.230 nan 0.000 0.432 430 F N -0.733 118.999 119.950 -0.363 0.000 2.102 430 F HA -0.223 4.305 4.527 0.001 0.000 0.298 430 F C 2.196 177.846 175.800 -0.249 0.000 1.105 430 F CA 1.629 59.399 58.000 -0.383 0.000 1.239 430 F CB -0.081 38.681 39.000 -0.396 0.000 0.991 430 F HN 0.017 nan 8.300 nan 0.000 0.474 431 L N -1.276 119.943 121.223 -0.006 0.000 2.046 431 L HA -0.262 4.079 4.340 0.001 0.000 0.208 431 L C 2.298 179.117 176.870 -0.085 0.000 1.077 431 L CA 1.875 56.681 54.840 -0.057 0.000 0.747 431 L CB -0.809 41.241 42.059 -0.015 0.000 0.896 431 L HN 0.458 nan 8.230 nan 0.000 0.432 432 W N 0.607 121.772 121.300 -0.225 0.000 2.381 432 W HA -0.190 4.471 4.660 0.001 0.000 0.301 432 W C 2.264 178.648 176.519 -0.226 0.000 1.205 432 W CA 1.236 58.463 57.345 -0.196 0.000 1.285 432 W CB -0.143 29.217 29.460 -0.166 0.000 1.133 432 W HN -0.036 nan 8.180 nan 0.000 0.521 433 L N -0.190 120.974 121.223 -0.098 0.000 2.083 433 L HA -0.256 4.084 4.340 0.001 0.000 0.209 433 L C 2.264 178.893 176.870 -0.401 0.000 1.083 433 L CA 1.182 55.833 54.840 -0.315 0.000 0.752 433 L CB -1.235 40.470 42.059 -0.591 0.000 0.899 433 L HN -0.136 nan 8.230 nan 0.000 0.433 434 V N 0.049 119.678 119.914 -0.475 0.000 2.407 434 V HA -0.310 3.811 4.120 0.001 0.000 0.248 434 V C 2.544 178.447 176.094 -0.318 0.000 1.055 434 V CA 1.992 64.050 62.300 -0.404 0.000 1.049 434 V CB -0.543 31.043 31.823 -0.395 0.000 0.662 434 V HN 0.455 nan 8.190 nan 0.000 0.455 435 K N -0.240 119.961 120.400 -0.332 0.000 2.103 435 K HA -0.158 4.162 4.320 0.001 0.000 0.204 435 K C 2.311 178.656 176.600 -0.425 0.000 1.052 435 K CA 0.980 57.073 56.287 -0.324 0.000 0.945 435 K CB -0.024 32.323 32.500 -0.255 0.000 0.722 435 K HN 0.183 nan 8.250 nan 0.000 0.443 436 K N 1.084 121.118 120.400 -0.610 0.000 2.002 436 K HA -0.118 4.203 4.320 0.001 0.000 0.209 436 K C 2.116 178.389 176.600 -0.545 0.000 1.048 436 K CA 1.481 57.322 56.287 -0.743 0.000 0.930 436 K CB -0.490 31.372 32.500 -1.064 0.000 0.714 436 K HN 0.251 nan 8.250 nan 0.000 0.438 437 I N 1.770 122.112 120.570 -0.380 0.000 2.208 437 I HA -0.327 3.843 4.170 0.001 0.000 0.245 437 I C 1.842 177.816 176.117 -0.240 0.000 1.097 437 I CA 1.131 62.275 61.300 -0.260 0.000 1.363 437 I CB -0.367 37.541 38.000 -0.154 0.000 1.051 437 I HN 0.167 nan 8.210 nan 0.000 0.413 438 N N 1.004 119.563 118.700 -0.235 0.000 2.149 438 N HA -0.181 4.560 4.740 0.001 0.000 0.188 438 N C 1.479 176.874 175.510 -0.192 0.000 1.019 438 N CA 1.346 54.280 53.050 -0.193 0.000 0.857 438 N CB -0.672 37.709 38.487 -0.178 0.000 0.997 438 N HN 0.468 nan 8.380 nan 0.000 0.426 439 N N -0.151 118.409 118.700 -0.233 0.000 2.104 439 N HA -0.113 4.628 4.740 0.001 0.000 0.190 439 N C 1.573 176.961 175.510 -0.204 0.000 1.024 439 N CA 0.863 53.780 53.050 -0.221 0.000 0.853 439 N CB 0.150 38.470 38.487 -0.278 0.000 1.008 439 N HN -0.004 nan 8.380 nan 0.000 0.424 440 V N 1.506 121.280 119.914 -0.232 0.000 2.255 440 V HA -0.142 3.979 4.120 0.001 0.000 0.243 440 V C 2.161 178.164 176.094 -0.151 0.000 1.038 440 V CA 1.311 63.491 62.300 -0.201 0.000 1.008 440 V CB -0.396 31.286 31.823 -0.234 0.000 0.645 440 V HN 0.269 nan 8.190 nan 0.000 0.449 441 L N -0.690 120.445 121.223 -0.147 0.000 2.109 441 L HA -0.044 4.297 4.340 0.001 0.000 0.207 441 L C 1.591 178.394 176.870 -0.112 0.000 1.086 441 L CA 0.421 55.188 54.840 -0.121 0.000 0.760 441 L CB -0.384 41.604 42.059 -0.119 0.000 0.910 441 L HN 0.369 nan 8.230 nan 0.000 0.437 442 C N 1.860 121.088 119.300 -0.120 0.000 2.632 442 C HA 0.464 4.925 4.460 0.001 0.000 0.415 442 C C 0.690 175.625 174.990 -0.092 0.000 1.332 442 C CA -0.260 58.693 59.018 -0.109 0.000 1.874 442 C CB 0.055 27.725 27.740 -0.117 0.000 2.596 442 C HN 0.466 nan 8.230 nan 0.000 0.590 443 Q N 3.248 123.002 119.800 -0.077 0.000 2.337 443 Q HA 0.420 4.761 4.340 0.001 0.000 0.266 443 Q C 0.301 176.270 176.000 -0.052 0.000 1.023 443 Q CA -0.362 55.406 55.803 -0.059 0.000 0.829 443 Q CB 0.786 29.499 28.738 -0.043 0.000 1.306 443 Q HN 0.873 nan 8.270 nan 0.000 0.449 444 E N 0.356 120.529 120.200 -0.046 0.000 2.442 444 E HA 0.156 4.507 4.350 0.001 0.000 0.195 444 E C 1.100 177.683 176.600 -0.029 0.000 1.030 444 E CA 0.775 57.151 56.400 -0.040 0.000 0.869 444 E CB 0.395 30.071 29.700 -0.039 0.000 0.857 444 E HN 0.635 nan 8.360 nan 0.000 0.505 445 R N 2.336 122.822 120.500 -0.024 0.000 3.559 445 R HA 0.248 4.588 4.340 0.001 0.000 0.273 445 R C -0.440 175.856 176.300 -0.006 0.000 1.423 445 R CA -0.614 55.477 56.100 -0.015 0.000 1.581 445 R CB -0.954 29.339 30.300 -0.011 0.000 1.338 445 R HN 0.251 nan 8.270 nan 0.000 0.667 446 K N -0.508 119.889 120.400 -0.006 0.000 2.164 446 K HA 0.786 5.107 4.320 0.001 0.000 0.258 446 K C 0.799 177.387 176.600 -0.021 0.000 0.951 446 K CA -0.127 56.171 56.287 0.018 0.000 0.844 446 K CB 2.329 34.859 32.500 0.051 0.000 1.099 446 K HN -0.004 nan 8.250 nan 0.000 0.435 447 A N 2.309 125.113 122.820 -0.026 0.000 1.887 447 A HA 0.206 4.527 4.320 0.001 0.000 0.212 447 A C -0.182 177.052 177.584 -0.583 0.000 1.198 447 A CA 0.715 52.591 52.037 -0.269 0.000 0.628 447 A CB -0.384 18.523 19.000 -0.155 0.000 0.847 447 A HN 0.697 nan 8.150 nan 0.000 0.449 448 Y N -2.358 118.060 120.300 0.198 0.000 2.669 448 Y HA 0.583 5.134 4.550 0.001 0.000 0.335 448 Y C -0.572 175.564 175.900 0.393 0.000 1.116 448 Y CA -1.300 56.916 58.100 0.194 0.000 1.081 448 Y CB 1.601 40.096 38.460 0.058 0.000 1.297 448 Y HN 0.378 nan 8.280 nan 0.000 0.484 449 F N -1.168 119.034 119.950 0.421 0.000 2.693 449 F HA 0.807 5.334 4.527 0.001 0.000 0.309 449 F C -2.187 173.834 175.800 0.369 0.000 1.129 449 F CA -1.500 56.736 58.000 0.393 0.000 0.948 449 F CB 1.198 40.307 39.000 0.181 0.000 1.315 449 F HN 0.246 nan 8.300 nan 0.000 0.447 450 I N 2.152 123.065 120.570 0.573 0.000 2.411 450 I HA 0.575 4.746 4.170 0.001 0.000 0.284 450 I C 0.070 176.411 176.117 0.374 0.000 1.012 450 I CA -0.758 60.765 61.300 0.372 0.000 1.119 450 I CB 1.682 39.922 38.000 0.401 0.000 1.261 450 I HN 0.975 nan 8.210 nan 0.000 0.448 451 G N 5.472 114.495 108.800 0.370 0.000 2.371 451 G HA2 0.605 4.566 3.960 0.001 0.000 0.326 451 G HA3 0.605 4.566 3.960 0.001 0.000 0.326 451 G C -0.836 173.990 174.900 -0.123 0.000 1.127 451 G CA -0.349 44.698 45.100 -0.088 0.000 0.885 451 G HN 0.304 nan 8.290 nan 0.000 0.477 452 V N 2.818 122.540 119.914 -0.319 0.000 2.384 452 V HA 0.376 4.496 4.120 0.001 0.000 0.287 452 V C -0.513 175.602 176.094 0.035 0.000 1.020 452 V CA -0.766 61.498 62.300 -0.060 0.000 0.850 452 V CB 1.303 33.118 31.823 -0.014 0.000 0.987 452 V HN 0.611 nan 8.190 nan 0.000 0.436 453 L N 4.648 126.014 121.223 0.238 0.000 2.287 453 L HA 0.676 5.017 4.340 0.001 0.000 0.287 453 L C -0.620 176.352 176.870 0.170 0.000 1.022 453 L CA 0.083 55.126 54.840 0.338 0.000 0.814 453 L CB 1.436 43.687 42.059 0.320 0.000 1.217 453 L HN 0.725 nan 8.230 nan 0.000 0.420 454 D N 5.544 126.024 120.400 0.134 0.000 2.461 454 D HA 0.535 5.175 4.640 0.001 0.000 0.240 454 D C -1.160 175.164 176.300 0.039 0.000 1.094 454 D CA -0.007 54.032 54.000 0.064 0.000 0.868 454 D CB 0.558 41.377 40.800 0.031 0.000 1.062 454 D HN 0.388 nan 8.370 nan 0.000 0.530 455 I N 1.227 121.811 120.570 0.024 0.000 3.006 455 I HA 0.280 4.451 4.170 0.001 0.000 0.306 455 I C -0.124 175.984 176.117 -0.016 0.000 1.250 455 I CA -0.707 60.593 61.300 -0.000 0.000 0.996 455 I CB 2.146 40.134 38.000 -0.020 0.000 1.261 455 I HN 0.294 nan 8.210 nan 0.000 0.442 456 S N 1.841 117.529 115.700 -0.020 0.000 2.593 456 S HA 0.621 5.092 4.470 0.001 0.000 0.269 456 S C 0.454 175.012 174.600 -0.070 0.000 1.334 456 S CA 0.221 58.409 58.200 -0.020 0.000 1.015 456 S CB 0.726 63.928 63.200 0.005 0.000 0.912 456 S HN 0.823 nan 8.310 nan 0.000 0.541 457 G N 1.455 110.219 108.800 -0.059 0.000 2.504 457 G HA2 0.438 4.399 3.960 0.001 0.000 0.257 457 G HA3 0.438 4.399 3.960 0.001 0.000 0.257 457 G C -0.547 174.251 174.900 -0.170 0.000 1.451 457 G CA -0.927 44.102 45.100 -0.119 0.000 1.059 457 G HN 0.649 nan 8.290 nan 0.000 0.550 458 F N 0.423 120.334 119.950 -0.065 0.000 2.602 458 F HA 0.172 4.699 4.527 0.001 0.000 0.367 458 F C 1.164 176.858 175.800 -0.177 0.000 1.126 458 F CA 0.829 58.755 58.000 -0.123 0.000 1.321 458 F CB 0.564 39.505 39.000 -0.099 0.000 1.094 458 F HN 0.203 nan 8.300 nan 0.000 0.594 459 E N 4.064 124.194 120.200 -0.117 0.000 2.129 459 E HA 0.449 4.800 4.350 0.001 0.000 0.268 459 E C -0.864 175.402 176.600 -0.557 0.000 0.900 459 E CA -0.372 55.738 56.400 -0.483 0.000 0.755 459 E CB 1.414 30.686 29.700 -0.713 0.000 1.117 459 E HN 0.423 nan 8.360 nan 0.000 0.410 460 I N 4.550 124.836 120.570 -0.474 0.000 2.623 460 I HA 0.266 4.437 4.170 0.001 0.000 0.275 460 I C -0.841 175.265 176.117 -0.018 0.000 1.108 460 I CA -0.472 60.670 61.300 -0.264 0.000 1.120 460 I CB 0.136 38.053 38.000 -0.138 0.000 1.249 460 I HN 0.297 nan 8.210 nan 0.000 0.500 461 F N 2.875 122.800 119.950 -0.041 0.000 2.403 461 F HA 0.480 5.008 4.527 0.001 0.000 0.326 461 F C 1.623 177.399 175.800 -0.039 0.000 1.099 461 F CA -1.193 56.792 58.000 -0.026 0.000 1.036 461 F CB 0.440 39.438 39.000 -0.003 0.000 1.336 461 F HN 0.134 nan 8.300 nan 0.000 0.497 462 K N 0.217 120.730 120.400 0.189 0.000 2.032 462 K HA -0.000 4.320 4.320 0.001 0.000 0.209 462 K C -0.096 176.550 176.600 0.077 0.000 1.048 462 K CA 1.022 57.358 56.287 0.082 0.000 0.927 462 K CB -0.363 32.165 32.500 0.046 0.000 0.712 462 K HN 0.260 nan 8.250 nan 0.000 0.441 463 V N 2.315 122.304 119.914 0.125 0.000 2.417 463 V HA 0.273 4.393 4.120 0.001 0.000 0.291 463 V C -0.696 175.505 176.094 0.178 0.000 1.024 463 V CA -1.044 61.328 62.300 0.119 0.000 0.861 463 V CB 1.583 33.476 31.823 0.117 0.000 0.985 463 V HN 0.203 nan 8.190 nan 0.000 0.436 464 N N 2.844 121.606 118.700 0.103 0.000 2.372 464 N HA 0.533 5.274 4.740 0.001 0.000 0.285 464 N C -0.406 175.311 175.510 0.344 0.000 1.008 464 N CA -0.220 52.900 53.050 0.118 0.000 0.880 464 N CB 2.376 40.740 38.487 -0.205 0.000 1.239 464 N HN 0.613 nan 8.380 nan 0.000 0.484 465 S N 0.439 116.405 115.700 0.442 0.000 2.855 465 S HA 0.384 4.855 4.470 0.001 0.000 0.308 465 S C 0.764 175.642 174.600 0.464 0.000 1.077 465 S CA -0.527 58.046 58.200 0.621 0.000 0.896 465 S CB 0.435 63.905 63.200 0.450 0.000 1.339 465 S HN 0.428 nan 8.310 nan 0.000 0.602 466 F N 2.086 121.903 119.950 -0.220 0.000 2.126 466 F HA -0.014 4.514 4.527 0.001 0.000 0.299 466 F C 1.894 177.403 175.800 -0.485 0.000 1.096 466 F CA 2.295 59.685 58.000 -1.016 0.000 1.255 466 F CB -0.617 37.633 39.000 -1.251 0.000 0.997 466 F HN 0.598 nan 8.300 nan 0.000 0.479 467 E N -0.055 119.969 120.200 -0.293 0.000 2.153 467 E HA -0.209 4.142 4.350 0.001 0.000 0.194 467 E C 2.036 178.477 176.600 -0.266 0.000 0.988 467 E CA 1.245 57.439 56.400 -0.343 0.000 0.811 467 E CB -0.345 29.304 29.700 -0.085 0.000 0.746 467 E HN 0.422 nan 8.360 nan 0.000 0.466 468 Q N -0.181 119.570 119.800 -0.081 0.000 2.123 468 Q HA -0.018 4.322 4.340 0.001 0.000 0.199 468 Q C 1.992 178.009 176.000 0.027 0.000 0.966 468 Q CA 0.556 56.346 55.803 -0.022 0.000 0.845 468 Q CB -0.235 28.531 28.738 0.047 0.000 0.907 468 Q HN 0.254 nan 8.270 nan 0.000 0.439 469 L N -0.358 120.857 121.223 -0.014 0.000 2.046 469 L HA -0.178 4.163 4.340 0.001 0.000 0.208 469 L C 1.837 178.554 176.870 -0.254 0.000 1.077 469 L CA 1.673 56.401 54.840 -0.186 0.000 0.747 469 L CB -0.769 40.995 42.059 -0.492 0.000 0.896 469 L HN 0.269 nan 8.230 nan 0.000 0.432 470 C N -0.579 118.371 119.300 -0.583 0.000 2.413 470 C HA -0.185 4.276 4.460 0.001 0.000 0.278 470 C C 2.673 177.488 174.990 -0.291 0.000 1.224 470 C CA 1.054 59.609 59.018 -0.770 0.000 1.732 470 C CB -1.032 25.782 27.740 -1.545 0.000 2.050 470 C HN 0.681 nan 8.230 nan 0.000 0.463 471 I N 1.831 122.257 120.570 -0.241 0.000 2.264 471 I HA -0.159 4.012 4.170 0.001 0.000 0.248 471 I C 1.916 177.939 176.117 -0.157 0.000 1.111 471 I CA 1.698 62.926 61.300 -0.120 0.000 1.382 471 I CB -0.563 37.369 38.000 -0.114 0.000 1.060 471 I HN 0.306 nan 8.210 nan 0.000 0.418 472 N N -0.823 117.811 118.700 -0.110 0.000 2.270 472 N HA -0.202 4.539 4.740 0.001 0.000 0.181 472 N C 1.772 177.322 175.510 0.067 0.000 1.016 472 N CA 1.014 53.997 53.050 -0.112 0.000 0.870 472 N CB -0.532 37.888 38.487 -0.112 0.000 0.979 472 N HN 0.476 nan 8.380 nan 0.000 0.431 473 Y N 2.018 122.324 120.300 0.010 0.000 2.145 473 Y HA -0.129 4.421 4.550 0.001 0.000 0.286 473 Y C 2.104 178.024 175.900 0.033 0.000 1.145 473 Y CA 1.395 59.547 58.100 0.087 0.000 1.148 473 Y CB -0.852 37.638 38.460 0.050 0.000 0.981 473 Y HN -0.039 nan 8.280 nan 0.000 0.507 474 T N 1.341 115.812 114.554 -0.138 0.000 2.652 474 T HA -0.203 4.148 4.350 0.001 0.000 0.267 474 T C 1.793 176.321 174.700 -0.287 0.000 1.039 474 T CA 1.660 63.577 62.100 -0.305 0.000 1.153 474 T CB -0.377 68.356 68.868 -0.226 0.000 0.863 474 T HN 0.436 nan 8.240 nan 0.000 0.428 475 N N 0.716 119.192 118.700 -0.373 0.000 2.205 475 N HA -0.109 4.631 4.740 0.001 0.000 0.186 475 N C 1.890 177.204 175.510 -0.327 0.000 1.015 475 N CA 0.868 53.552 53.050 -0.611 0.000 0.862 475 N CB -0.126 37.497 38.487 -1.440 0.000 0.986 475 N HN 0.393 nan 8.380 nan 0.000 0.429 476 E N 1.326 121.521 120.200 -0.008 0.000 2.072 476 E HA -0.078 4.272 4.350 0.001 0.000 0.191 476 E C 1.823 178.473 176.600 0.084 0.000 0.985 476 E CA 0.771 57.313 56.400 0.237 0.000 0.801 476 E CB -0.050 29.863 29.700 0.355 0.000 0.750 476 E HN 0.385 nan 8.360 nan 0.000 0.452 477 K N 0.387 120.780 120.400 -0.012 0.000 2.057 477 K HA -0.052 4.269 4.320 0.001 0.000 0.207 477 K C 2.359 178.958 176.600 -0.002 0.000 1.049 477 K CA 0.819 57.083 56.287 -0.038 0.000 0.931 477 K CB -0.171 32.231 32.500 -0.163 0.000 0.714 477 K HN 0.105 nan 8.250 nan 0.000 0.440 478 L N 0.654 121.850 121.223 -0.045 0.000 2.093 478 L HA -0.194 4.147 4.340 0.001 0.000 0.208 478 L C 2.667 179.629 176.870 0.153 0.000 1.085 478 L CA 0.996 55.879 54.840 0.072 0.000 0.755 478 L CB -0.353 41.710 42.059 0.006 0.000 0.904 478 L HN 0.185 nan 8.230 nan 0.000 0.435 479 Q N 0.487 120.293 119.800 0.010 0.000 2.123 479 Q HA -0.239 4.102 4.340 0.001 0.000 0.199 479 Q C 2.148 178.118 176.000 -0.050 0.000 0.966 479 Q CA 1.602 57.361 55.803 -0.074 0.000 0.845 479 Q CB -0.162 28.374 28.738 -0.337 0.000 0.907 479 Q HN 0.470 nan 8.270 nan 0.000 0.439 480 Q N -1.084 118.690 119.800 -0.043 0.000 2.167 480 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 480 Q C 1.853 177.706 176.000 -0.245 0.000 0.970 480 Q CA 1.323 57.028 55.803 -0.163 0.000 0.855 480 Q CB -0.307 28.388 28.738 -0.072 0.000 0.911 480 Q HN 0.535 nan 8.270 nan 0.000 0.438 481 F N 0.284 120.171 119.950 -0.106 0.000 2.102 481 F HA -0.218 4.310 4.527 0.001 0.000 0.298 481 F C 1.849 177.686 175.800 0.061 0.000 1.105 481 F CA 1.591 59.608 58.000 0.028 0.000 1.239 481 F CB -0.344 38.717 39.000 0.100 0.000 0.991 481 F HN 0.216 nan 8.300 nan 0.000 0.474 482 F N 1.581 121.450 119.950 -0.135 0.000 2.134 482 F HA -0.242 4.286 4.527 0.001 0.000 0.299 482 F C 2.225 177.839 175.800 -0.310 0.000 1.097 482 F CA 1.933 59.650 58.000 -0.472 0.000 1.264 482 F CB -0.751 37.876 39.000 -0.622 0.000 1.001 482 F HN -0.056 nan 8.300 nan 0.000 0.479 483 N N 0.025 118.643 118.700 -0.136 0.000 2.061 483 N HA -0.227 4.514 4.740 0.001 0.000 0.193 483 N C 1.761 177.184 175.510 -0.145 0.000 1.030 483 N CA 1.807 54.767 53.050 -0.151 0.000 0.856 483 N CB -0.863 37.573 38.487 -0.085 0.000 1.023 483 N HN 0.405 nan 8.380 nan 0.000 0.424 484 H N -0.295 118.696 119.070 -0.131 0.000 2.321 484 H HA -0.086 4.471 4.556 0.001 0.000 0.300 484 H C 2.031 177.301 175.328 -0.096 0.000 1.087 484 H CA 1.396 57.382 56.048 -0.103 0.000 1.319 484 H CB -0.829 28.890 29.762 -0.071 0.000 1.379 484 H HN 0.445 nan 8.280 nan 0.000 0.501 485 H N 0.209 119.128 119.070 -0.252 0.000 2.352 485 H HA -0.103 4.454 4.556 0.001 0.000 0.299 485 H C 2.523 177.610 175.328 -0.403 0.000 1.097 485 H CA 1.839 57.668 56.048 -0.366 0.000 1.311 485 H CB -0.242 29.208 29.762 -0.520 0.000 1.377 485 H HN 0.205 nan 8.280 nan 0.000 0.504 486 M N -1.033 118.152 119.600 -0.691 0.000 2.080 486 M HA -0.180 4.301 4.480 0.001 0.000 0.260 486 M C 1.899 178.014 176.300 -0.309 0.000 1.068 486 M CA 1.806 56.720 55.300 -0.643 0.000 1.109 486 M CB -0.317 31.886 32.600 -0.661 0.000 1.342 486 M HN 0.385 nan 8.290 nan 0.000 0.405 487 F N 1.373 121.142 119.950 -0.302 0.000 2.043 487 F HA -0.333 4.194 4.527 0.001 0.000 0.297 487 F C 2.062 177.744 175.800 -0.196 0.000 1.118 487 F CA 2.248 60.137 58.000 -0.185 0.000 1.202 487 F CB -0.412 38.534 39.000 -0.090 0.000 0.965 487 F HN 0.084 nan 8.300 nan 0.000 0.482 488 K N 0.202 120.506 120.400 -0.159 0.000 1.985 488 K HA -0.174 4.147 4.320 0.001 0.000 0.210 488 K C 2.189 178.608 176.600 -0.302 0.000 1.047 488 K CA 1.920 58.061 56.287 -0.245 0.000 0.932 488 K CB -0.695 31.739 32.500 -0.110 0.000 0.716 488 K HN 0.337 nan 8.250 nan 0.000 0.439 489 L N 1.312 122.314 121.223 -0.368 0.000 2.079 489 L HA -0.207 4.133 4.340 0.001 0.000 0.210 489 L C 2.520 179.263 176.870 -0.213 0.000 1.081 489 L CA 1.215 55.867 54.840 -0.314 0.000 0.752 489 L CB -0.442 41.352 42.059 -0.443 0.000 0.896 489 L HN 0.280 nan 8.230 nan 0.000 0.433 490 E N -0.134 119.914 120.200 -0.252 0.000 2.106 490 E HA -0.212 4.139 4.350 0.001 0.000 0.192 490 E C 2.163 178.633 176.600 -0.216 0.000 0.984 490 E CA 0.990 57.276 56.400 -0.190 0.000 0.806 490 E CB -0.083 29.483 29.700 -0.223 0.000 0.750 490 E HN 0.564 nan 8.360 nan 0.000 0.458 491 Q N 0.355 119.945 119.800 -0.350 0.000 2.084 491 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 491 Q C 2.098 178.024 176.000 -0.124 0.000 0.978 491 Q CA 1.009 56.619 55.803 -0.322 0.000 0.844 491 Q CB -0.002 28.465 28.738 -0.451 0.000 0.898 491 Q HN 0.351 nan 8.270 nan 0.000 0.426 492 E N 0.442 120.572 120.200 -0.117 0.000 2.038 492 E HA -0.253 4.097 4.350 0.001 0.000 0.195 492 E C 1.913 178.522 176.600 0.015 0.000 1.000 492 E CA 1.279 57.646 56.400 -0.056 0.000 0.803 492 E CB -0.001 29.656 29.700 -0.073 0.000 0.750 492 E HN 0.216 nan 8.360 nan 0.000 0.448 493 E N 0.579 120.819 120.200 0.066 0.000 2.033 493 E HA -0.237 4.113 4.350 0.001 0.000 0.199 493 E C 1.771 178.471 176.600 0.167 0.000 1.011 493 E CA 1.654 58.142 56.400 0.146 0.000 0.815 493 E CB -0.598 29.247 29.700 0.242 0.000 0.755 493 E HN 0.404 nan 8.360 nan 0.000 0.451 494 Y N -0.338 119.949 120.300 -0.020 0.000 2.151 494 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 494 Y C 2.347 178.163 175.900 -0.141 0.000 1.166 494 Y CA 1.041 59.078 58.100 -0.106 0.000 1.163 494 Y CB -0.221 38.183 38.460 -0.095 0.000 0.974 494 Y HN 0.111 nan 8.280 nan 0.000 0.511 495 L N 0.238 121.490 121.223 0.048 0.000 2.017 495 L HA -0.240 4.101 4.340 0.001 0.000 0.208 495 L C 2.193 179.039 176.870 -0.040 0.000 1.073 495 L CA 1.723 56.553 54.840 -0.017 0.000 0.745 495 L CB -0.368 41.677 42.059 -0.022 0.000 0.894 495 L HN 0.083 nan 8.230 nan 0.000 0.432 496 K N -0.680 119.705 120.400 -0.026 0.000 2.147 496 K HA -0.148 4.173 4.320 0.001 0.000 0.205 496 K C 1.568 178.137 176.600 -0.052 0.000 1.049 496 K CA 1.088 57.359 56.287 -0.027 0.000 0.936 496 K CB -0.059 32.437 32.500 -0.006 0.000 0.722 496 K HN 0.350 nan 8.250 nan 0.000 0.446 497 E N 0.616 120.752 120.200 -0.106 0.000 2.472 497 E HA -0.027 4.324 4.350 0.001 0.000 0.196 497 E C -0.297 176.167 176.600 -0.226 0.000 1.033 497 E CA 0.018 56.315 56.400 -0.172 0.000 0.886 497 E CB 0.438 29.990 29.700 -0.246 0.000 0.944 497 E HN 0.149 nan 8.360 nan 0.000 0.492 498 K N 0.925 121.207 120.400 -0.197 0.000 4.215 498 K HA -0.164 4.156 4.320 0.001 0.000 0.318 498 K C -1.291 175.149 176.600 -0.267 0.000 1.077 498 K CA 0.266 56.448 56.287 -0.175 0.000 0.979 498 K CB -1.496 30.933 32.500 -0.119 0.000 1.497 498 K HN 0.126 nan 8.250 nan 0.000 0.436 499 I N 0.433 120.827 120.570 -0.293 0.000 2.918 499 I HA 0.209 4.380 4.170 0.001 0.000 0.301 499 I C 1.000 177.066 176.117 -0.086 0.000 1.312 499 I CA -0.152 60.932 61.300 -0.361 0.000 1.007 499 I CB 1.701 39.161 38.000 -0.899 0.000 1.281 499 I HN 0.609 nan 8.210 nan 0.000 0.440 509 D N -0.677 119.778 120.400 0.092 0.000 2.978 509 D HA -0.178 4.463 4.640 0.001 0.000 0.205 509 D C 1.467 177.837 176.300 0.115 0.000 1.093 509 D CA 1.379 55.436 54.000 0.094 0.000 1.006 509 D CB -0.914 39.944 40.800 0.096 0.000 1.116 509 D HN 0.642 nan 8.370 nan 0.000 0.419 510 S N -0.312 115.461 115.700 0.123 0.000 2.402 510 S HA -0.187 4.284 4.470 0.001 0.000 0.229 510 S C 1.718 176.395 174.600 0.129 0.000 1.021 510 S CA 1.388 59.671 58.200 0.139 0.000 0.974 510 S CB 0.068 63.331 63.200 0.105 0.000 0.800 510 S HN 0.297 nan 8.310 nan 0.000 0.484 511 Q N 1.818 121.684 119.800 0.109 0.000 2.045 511 Q HA -0.084 4.257 4.340 0.001 0.000 0.206 511 Q C 2.179 178.232 176.000 0.089 0.000 0.991 511 Q CA 1.988 57.853 55.803 0.102 0.000 0.851 511 Q CB -0.720 28.074 28.738 0.092 0.000 0.911 511 Q HN 0.514 nan 8.270 nan 0.000 0.418 512 A N -1.049 121.816 122.820 0.075 0.000 1.908 512 A HA -0.208 4.113 4.320 0.001 0.000 0.218 512 A C 2.317 179.926 177.584 0.043 0.000 1.181 512 A CA 2.099 54.169 52.037 0.055 0.000 0.627 512 A CB -1.066 17.964 19.000 0.050 0.000 0.818 512 A HN 0.484 nan 8.150 nan 0.000 0.445 513 T N 0.165 114.756 114.554 0.062 0.000 2.777 513 T HA -0.042 4.308 4.350 0.001 0.000 0.266 513 T C 1.805 176.546 174.700 0.068 0.000 1.040 513 T CA 1.320 63.446 62.100 0.043 0.000 1.141 513 T CB -0.373 68.545 68.868 0.083 0.000 0.868 513 T HN 0.408 nan 8.240 nan 0.000 0.444 514 I N 1.463 122.111 120.570 0.131 0.000 2.163 514 I HA -0.217 3.953 4.170 0.001 0.000 0.243 514 I C 2.254 178.425 176.117 0.090 0.000 1.085 514 I CA 1.352 62.757 61.300 0.175 0.000 1.347 514 I CB -0.398 37.725 38.000 0.204 0.000 1.044 514 I HN 0.194 nan 8.210 nan 0.000 0.408 515 D N 0.665 121.102 120.400 0.063 0.000 2.117 515 D HA -0.170 4.471 4.640 0.001 0.000 0.197 515 D C 2.027 178.311 176.300 -0.027 0.000 0.987 515 D CA 0.996 55.015 54.000 0.032 0.000 0.829 515 D CB -0.412 40.414 40.800 0.043 0.000 0.961 515 D HN 0.202 nan 8.370 nan 0.000 0.460 516 L N 0.782 121.964 121.223 -0.069 0.000 2.079 516 L HA -0.141 4.200 4.340 0.001 0.000 0.210 516 L C 1.997 178.734 176.870 -0.221 0.000 1.081 516 L CA 1.417 56.134 54.840 -0.206 0.000 0.752 516 L CB -0.337 41.581 42.059 -0.234 0.000 0.896 516 L HN -0.009 nan 8.230 nan 0.000 0.433 517 I N -0.125 120.350 120.570 -0.158 0.000 2.206 517 I HA -0.142 4.029 4.170 0.001 0.000 0.239 517 I C 1.491 177.454 176.117 -0.257 0.000 1.078 517 I CA 1.417 62.584 61.300 -0.221 0.000 1.367 517 I CB -0.462 37.351 38.000 -0.312 0.000 1.078 517 I HN 0.382 nan 8.210 nan 0.000 0.413 518 D N 0.649 120.903 120.400 -0.243 0.000 2.368 518 D HA 0.077 4.718 4.640 0.001 0.000 0.218 518 D C 0.857 177.148 176.300 -0.015 0.000 1.112 518 D CA -0.145 53.764 54.000 -0.152 0.000 0.834 518 D CB -0.433 40.305 40.800 -0.104 0.000 0.953 518 D HN 0.112 nan 8.370 nan 0.000 0.505 519 G N 0.294 109.091 108.800 -0.005 0.000 2.491 519 G HA2 0.091 4.051 3.960 0.001 0.000 0.238 519 G HA3 0.091 4.051 3.960 0.001 0.000 0.238 519 G C 0.621 175.546 174.900 0.042 0.000 1.277 519 G CA -0.569 44.551 45.100 0.033 0.000 0.851 519 G HN 0.132 nan 8.290 nan 0.000 0.573 520 R N -0.271 120.258 120.500 0.049 0.000 2.167 520 R HA 0.123 4.464 4.340 0.001 0.000 0.201 520 R C -0.072 176.256 176.300 0.048 0.000 1.024 520 R CA 0.447 56.575 56.100 0.046 0.000 1.053 520 R CB 0.362 30.689 30.300 0.045 0.000 0.987 520 R HN 0.416 nan 8.270 nan 0.000 0.493 521 Q N 0.948 120.779 119.800 0.052 0.000 2.406 521 Q HA 0.279 4.620 4.340 0.001 0.000 0.244 521 Q C -2.457 173.577 176.000 0.058 0.000 0.884 521 Q CA -1.408 54.427 55.803 0.053 0.000 0.813 521 Q CB 2.157 30.921 28.738 0.042 0.000 1.368 521 Q HN 0.163 nan 8.270 nan 0.000 0.439 522 P HA 0.306 nan 4.420 nan 0.000 0.270 522 P C -2.613 174.749 177.300 0.103 0.000 1.223 522 P CA -1.110 62.046 63.100 0.093 0.000 0.785 522 P CB -0.268 31.505 31.700 0.121 0.000 0.923 523 P HA 0.219 nan 4.420 nan 0.000 0.279 523 P C 0.198 177.591 177.300 0.154 0.000 1.239 523 P CA 0.083 63.224 63.100 0.068 0.000 0.789 523 P CB 0.888 32.578 31.700 -0.017 0.000 0.933 524 G N 1.284 110.152 108.800 0.114 0.000 2.702 524 G HA2 0.348 4.309 3.960 0.001 0.000 0.254 524 G HA3 0.348 4.309 3.960 0.001 0.000 0.254 524 G C 1.043 176.018 174.900 0.124 0.000 1.380 524 G CA -0.865 44.302 45.100 0.112 0.000 1.042 524 G HN 0.352 nan 8.290 nan 0.000 0.557 525 I N -0.218 120.350 120.570 -0.003 0.000 2.099 525 I HA -0.187 3.984 4.170 0.001 0.000 0.239 525 I C 2.724 178.881 176.117 0.067 0.000 1.066 525 I CA 1.170 62.500 61.300 0.050 0.000 1.324 525 I CB -0.340 37.674 38.000 0.022 0.000 1.037 525 I HN 0.268 nan 8.210 nan 0.000 0.401 526 L N 0.546 121.786 121.223 0.029 0.000 2.079 526 L HA -0.212 4.128 4.340 0.001 0.000 0.210 526 L C 2.863 179.763 176.870 0.050 0.000 1.081 526 L CA 1.239 56.114 54.840 0.058 0.000 0.752 526 L CB -0.841 41.229 42.059 0.020 0.000 0.896 526 L HN 0.278 nan 8.230 nan 0.000 0.433 527 A N 0.463 123.301 122.820 0.029 0.000 1.877 527 A HA -0.168 4.153 4.320 0.001 0.000 0.216 527 A C 2.260 179.845 177.584 0.001 0.000 1.186 527 A CA 1.501 53.551 52.037 0.022 0.000 0.620 527 A CB -0.721 18.290 19.000 0.018 0.000 0.822 527 A HN 0.362 nan 8.150 nan 0.000 0.443 528 L N -0.982 120.222 121.223 -0.032 0.000 2.083 528 L HA -0.171 4.169 4.340 0.001 0.000 0.209 528 L C 2.563 179.417 176.870 -0.026 0.000 1.083 528 L CA 1.189 55.975 54.840 -0.090 0.000 0.752 528 L CB -0.606 41.327 42.059 -0.209 0.000 0.899 528 L HN 0.504 nan 8.230 nan 0.000 0.433 529 L N -0.095 121.143 121.223 0.024 0.000 2.017 529 L HA -0.222 4.118 4.340 0.001 0.000 0.208 529 L C 2.033 178.929 176.870 0.044 0.000 1.073 529 L CA 1.939 56.812 54.840 0.055 0.000 0.745 529 L CB -0.676 41.450 42.059 0.112 0.000 0.894 529 L HN 0.154 nan 8.230 nan 0.000 0.432 530 D N -0.355 120.072 120.400 0.046 0.000 2.123 530 D HA -0.249 4.392 4.640 0.001 0.000 0.196 530 D C 2.073 178.413 176.300 0.066 0.000 0.992 530 D CA 1.557 55.587 54.000 0.050 0.000 0.833 530 D CB -0.026 40.806 40.800 0.053 0.000 0.954 530 D HN 0.641 nan 8.370 nan 0.000 0.455 531 E N 0.376 120.616 120.200 0.067 0.000 2.085 531 E HA -0.205 4.146 4.350 0.001 0.000 0.194 531 E C 1.895 178.622 176.600 0.211 0.000 0.994 531 E CA 1.063 57.532 56.400 0.116 0.000 0.801 531 E CB 0.109 29.849 29.700 0.065 0.000 0.743 531 E HN 0.172 nan 8.360 nan 0.000 0.453 532 Q N 0.038 119.918 119.800 0.135 0.000 2.224 532 Q HA -0.062 4.279 4.340 0.001 0.000 0.203 532 Q C 2.316 178.452 176.000 0.228 0.000 0.970 532 Q CA 1.118 57.024 55.803 0.172 0.000 0.865 532 Q CB 0.060 28.833 28.738 0.058 0.000 0.922 532 Q HN 0.231 nan 8.270 nan 0.000 0.445 533 S N 0.432 116.212 115.700 0.134 0.000 2.469 533 S HA -0.071 4.400 4.470 0.001 0.000 0.238 533 S C 1.984 176.617 174.600 0.054 0.000 0.998 533 S CA 0.534 58.782 58.200 0.080 0.000 0.957 533 S CB 0.009 63.231 63.200 0.037 0.000 0.764 533 S HN 0.145 nan 8.310 nan 0.000 0.514 534 V N 0.389 120.337 119.914 0.057 0.000 2.719 534 V HA 0.035 4.155 4.120 0.001 0.000 0.252 534 V C 0.318 176.146 176.094 -0.444 0.000 1.065 534 V CA 0.914 63.092 62.300 -0.204 0.000 1.086 534 V CB -0.489 31.134 31.823 -0.333 0.000 0.700 534 V HN 0.380 nan 8.190 nan 0.000 0.467 535 F N 1.204 121.156 119.950 0.003 0.000 2.404 535 F HA 0.338 4.866 4.527 0.001 0.000 0.358 535 F C -0.907 174.895 175.800 0.003 0.000 1.120 535 F CA -2.315 55.686 58.000 0.002 0.000 1.144 535 F CB 0.589 39.588 39.000 -0.002 0.000 1.133 535 F HN 0.015 nan 8.300 nan 0.000 0.495 536 P HA -0.179 nan 4.420 nan 0.000 0.216 536 P C 0.714 178.064 177.300 0.082 0.000 1.150 536 P CA 1.433 64.570 63.100 0.063 0.000 0.843 536 P CB 0.286 32.005 31.700 0.032 0.000 0.787 537 N N -0.821 117.948 118.700 0.114 0.000 2.336 537 N HA 0.141 4.882 4.740 0.001 0.000 0.189 537 N C 0.696 176.251 175.510 0.074 0.000 1.113 537 N CA 0.058 53.158 53.050 0.083 0.000 0.858 537 N CB -0.331 38.200 38.487 0.073 0.000 0.970 537 N HN 0.118 nan 8.380 nan 0.000 0.471 538 A N 0.699 123.582 122.820 0.105 0.000 2.406 538 A HA 0.436 4.757 4.320 0.001 0.000 0.243 538 A C 0.903 178.509 177.584 0.037 0.000 1.082 538 A CA 0.055 52.128 52.037 0.059 0.000 0.786 538 A CB 0.142 19.185 19.000 0.071 0.000 1.029 538 A HN 0.292 nan 8.150 nan 0.000 0.495 539 T N -2.100 112.461 114.554 0.012 0.000 2.864 539 T HA 0.466 4.816 4.350 0.001 0.000 0.289 539 T C 0.118 174.814 174.700 -0.007 0.000 1.082 539 T CA -0.279 61.826 62.100 0.008 0.000 1.009 539 T CB 1.083 69.952 68.868 0.001 0.000 1.234 539 T HN 0.436 nan 8.240 nan 0.000 0.526 540 D N 0.611 121.005 120.400 -0.009 0.000 2.133 540 D HA -0.183 4.457 4.640 0.001 0.000 0.195 540 D C 1.785 178.050 176.300 -0.058 0.000 0.997 540 D CA 1.238 55.216 54.000 -0.037 0.000 0.840 540 D CB -0.308 40.472 40.800 -0.034 0.000 0.947 540 D HN 0.662 nan 8.370 nan 0.000 0.452 541 N N 0.576 119.254 118.700 -0.037 0.000 2.120 541 N HA -0.138 4.603 4.740 0.001 0.000 0.188 541 N C 1.431 176.907 175.510 -0.055 0.000 1.024 541 N CA 1.979 55.007 53.050 -0.037 0.000 0.852 541 N CB 0.091 38.569 38.487 -0.014 0.000 1.003 541 N HN 0.150 nan 8.380 nan 0.000 0.424 542 T N 1.908 116.431 114.554 -0.051 0.000 2.652 542 T HA -0.179 4.172 4.350 0.001 0.000 0.267 542 T C 2.052 176.697 174.700 -0.091 0.000 1.039 542 T CA 1.162 63.222 62.100 -0.066 0.000 1.153 542 T CB -0.638 68.194 68.868 -0.060 0.000 0.863 542 T HN 0.149 nan 8.240 nan 0.000 0.428 543 L N 1.107 122.277 121.223 -0.088 0.000 1.943 543 L HA -0.002 4.339 4.340 0.001 0.000 0.215 543 L C 2.367 179.123 176.870 -0.189 0.000 1.074 543 L CA 1.567 56.338 54.840 -0.114 0.000 0.759 543 L CB -1.091 40.919 42.059 -0.081 0.000 0.888 543 L HN 0.208 nan 8.230 nan 0.000 0.433 544 I N -0.706 119.733 120.570 -0.218 0.000 2.248 544 I HA -0.328 3.842 4.170 0.001 0.000 0.248 544 I C 2.222 178.072 176.117 -0.445 0.000 1.107 544 I CA 2.213 63.297 61.300 -0.360 0.000 1.373 544 I CB -0.555 37.286 38.000 -0.266 0.000 1.055 544 I HN 0.436 nan 8.210 nan 0.000 0.418 545 T N 0.077 114.500 114.554 -0.218 0.000 2.746 545 T HA -0.249 4.102 4.350 0.001 0.000 0.267 545 T C 1.936 176.569 174.700 -0.112 0.000 1.039 545 T CA 1.797 63.832 62.100 -0.108 0.000 1.142 545 T CB -0.277 68.562 68.868 -0.048 0.000 0.866 545 T HN 0.332 nan 8.240 nan 0.000 0.444 546 K N 0.753 121.073 120.400 -0.134 0.000 2.063 546 K HA -0.020 4.301 4.320 0.001 0.000 0.208 546 K C 2.166 178.664 176.600 -0.170 0.000 1.048 546 K CA 1.030 57.250 56.287 -0.112 0.000 0.928 546 K CB -0.344 32.072 32.500 -0.140 0.000 0.713 546 K HN 0.273 nan 8.250 nan 0.000 0.442 547 L N 0.033 121.095 121.223 -0.268 0.000 1.989 547 L HA -0.244 4.097 4.340 0.001 0.000 0.211 547 L C 2.563 179.274 176.870 -0.266 0.000 1.071 547 L CA 1.363 56.021 54.840 -0.303 0.000 0.749 547 L CB -0.860 41.013 42.059 -0.310 0.000 0.890 547 L HN 0.348 nan 8.230 nan 0.000 0.431 548 H N -0.947 118.088 119.070 -0.058 0.000 2.352 548 H HA -0.162 4.395 4.556 0.001 0.000 0.299 548 H C 2.626 177.872 175.328 -0.137 0.000 1.097 548 H CA 1.530 57.584 56.048 0.010 0.000 1.311 548 H CB -0.506 29.309 29.762 0.089 0.000 1.377 548 H HN 0.222 nan 8.280 nan 0.000 0.504 549 S N -0.310 115.376 115.700 -0.023 0.000 2.374 549 S HA -0.202 4.269 4.470 0.001 0.000 0.227 549 S C 1.863 176.284 174.600 -0.297 0.000 1.037 549 S CA 1.516 59.644 58.200 -0.121 0.000 1.024 549 S CB -0.110 63.028 63.200 -0.104 0.000 0.861 549 S HN 0.543 nan 8.310 nan 0.000 0.456 550 H N -1.253 117.471 119.070 -0.578 0.000 2.448 550 H HA 0.249 4.805 4.556 0.001 0.000 0.292 550 H C 1.224 176.051 175.328 -0.835 0.000 1.035 550 H CA 1.443 57.005 56.048 -0.810 0.000 1.349 550 H CB 0.003 28.940 29.762 -1.375 0.000 1.425 550 H HN 0.531 nan 8.280 nan 0.000 0.539 551 F N -1.638 118.151 119.950 -0.268 0.000 2.752 551 F HA 0.222 4.750 4.527 0.001 0.000 0.310 551 F C 1.082 176.747 175.800 -0.225 0.000 1.097 551 F CA -0.342 57.407 58.000 -0.418 0.000 1.238 551 F CB 0.416 38.785 39.000 -1.053 0.000 1.061 551 F HN -0.198 nan 8.300 nan 0.000 0.591 552 S N 2.108 117.837 115.700 0.049 0.000 2.546 552 S HA 0.049 4.520 4.470 0.001 0.000 0.290 552 S C 0.893 175.567 174.600 0.122 0.000 1.262 552 S CA 0.009 58.348 58.200 0.231 0.000 1.083 552 S CB -0.058 63.242 63.200 0.166 0.000 0.859 552 S HN 0.316 nan 8.310 nan 0.000 0.495 553 K N 2.734 123.218 120.400 0.140 0.000 3.426 553 K HA -0.173 4.147 4.320 0.001 0.000 0.315 553 K C 0.475 177.115 176.600 0.067 0.000 1.293 553 K CA 1.977 58.311 56.287 0.077 0.000 0.955 553 K CB -1.637 30.883 32.500 0.034 0.000 1.238 553 K HN 0.775 nan 8.250 nan 0.000 0.441 554 K N -0.549 119.904 120.400 0.089 0.000 2.474 554 K HA 0.117 4.437 4.320 0.001 0.000 0.204 554 K C 0.390 177.056 176.600 0.110 0.000 1.220 554 K CA -0.138 56.190 56.287 0.068 0.000 0.966 554 K CB 0.489 33.002 32.500 0.021 0.000 1.049 554 K HN 0.067 nan 8.250 nan 0.000 0.554 555 N N 0.575 119.375 118.700 0.166 0.000 2.399 555 N HA 0.217 4.958 4.740 0.001 0.000 0.280 555 N C 0.094 175.694 175.510 0.150 0.000 1.008 555 N CA -0.022 53.125 53.050 0.162 0.000 0.894 555 N CB 1.879 40.471 38.487 0.176 0.000 1.273 555 N HN 0.051 nan 8.380 nan 0.000 0.486 556 A N 3.941 126.821 122.820 0.099 0.000 2.076 556 A HA -0.092 4.229 4.320 0.001 0.000 0.220 556 A C 1.438 179.069 177.584 0.079 0.000 1.160 556 A CA 1.244 53.330 52.037 0.082 0.000 0.653 556 A CB -0.031 19.002 19.000 0.055 0.000 0.801 556 A HN 0.620 nan 8.150 nan 0.000 0.455 557 K N -1.724 118.725 120.400 0.080 0.000 2.387 557 K HA 0.167 4.487 4.320 0.001 0.000 0.198 557 K C -0.637 176.029 176.600 0.109 0.000 1.022 557 K CA -0.073 56.247 56.287 0.055 0.000 1.128 557 K CB -0.043 32.464 32.500 0.011 0.000 0.853 557 K HN 0.605 nan 8.250 nan 0.000 0.523 558 Y N 1.076 121.390 120.300 0.023 0.000 2.446 558 Y HA 0.308 4.859 4.550 0.001 0.000 0.338 558 Y C -0.882 175.085 175.900 0.112 0.000 1.055 558 Y CA -0.982 57.170 58.100 0.086 0.000 1.101 558 Y CB 1.642 40.165 38.460 0.106 0.000 1.221 558 Y HN -0.035 nan 8.280 nan 0.000 0.460 559 E N 4.432 124.466 120.200 -0.278 0.000 2.260 559 E HA 0.180 4.531 4.350 0.001 0.000 0.266 559 E C -1.742 174.709 176.600 -0.248 0.000 0.887 559 E CA -0.727 55.589 56.400 -0.140 0.000 0.777 559 E CB 1.298 30.942 29.700 -0.095 0.000 1.205 559 E HN 0.757 nan 8.360 nan 0.000 0.414 560 E N 5.535 125.695 120.200 -0.068 0.000 2.194 560 E HA 0.268 4.619 4.350 0.001 0.000 0.284 560 E C -2.105 174.388 176.600 -0.177 0.000 1.035 560 E CA -2.151 54.137 56.400 -0.186 0.000 0.836 560 E CB 0.744 30.234 29.700 -0.351 0.000 1.070 560 E HN 0.280 nan 8.360 nan 0.000 0.401 561 P HA 0.005 nan 4.420 nan 0.000 0.268 561 P C 0.149 177.312 177.300 -0.228 0.000 1.208 561 P CA -0.000 63.021 63.100 -0.131 0.000 0.777 561 P CB 0.670 32.343 31.700 -0.045 0.000 0.875 562 R N 0.754 121.033 120.500 -0.368 0.000 2.081 562 R HA -0.077 4.264 4.340 0.001 0.000 0.235 562 R C 1.186 176.964 176.300 -0.870 0.000 1.131 562 R CA 1.781 57.442 56.100 -0.731 0.000 0.960 562 R CB -0.298 29.273 30.300 -1.215 0.000 0.856 562 R HN 0.539 nan 8.270 nan 0.000 0.436 563 F N -1.762 118.181 119.950 -0.011 0.000 2.658 563 F HA 0.210 4.738 4.527 0.001 0.000 0.293 563 F C 1.101 176.908 175.800 0.011 0.000 0.986 563 F CA -0.573 57.426 58.000 -0.001 0.000 1.182 563 F CB -0.254 38.745 39.000 -0.002 0.000 0.965 563 F HN -0.241 nan 8.300 nan 0.000 0.659 564 S N 1.259 117.061 115.700 0.169 0.000 2.558 564 S HA 0.036 4.506 4.470 0.001 0.000 0.291 564 S C 1.016 175.686 174.600 0.117 0.000 1.306 564 S CA -0.082 58.192 58.200 0.124 0.000 1.056 564 S CB 0.548 63.802 63.200 0.090 0.000 0.836 564 S HN 0.071 nan 8.310 nan 0.000 0.504 565 K N 2.017 122.485 120.400 0.113 0.000 2.358 565 K HA 0.150 4.471 4.320 0.001 0.000 0.200 565 K C 1.471 178.145 176.600 0.123 0.000 1.030 565 K CA 0.609 56.973 56.287 0.129 0.000 1.097 565 K CB 0.140 32.694 32.500 0.090 0.000 0.862 565 K HN 0.776 nan 8.250 nan 0.000 0.534 566 T N -2.876 111.735 114.554 0.095 0.000 3.084 566 T HA 0.349 4.700 4.350 0.001 0.000 0.270 566 T C 0.248 174.983 174.700 0.058 0.000 1.008 566 T CA -0.417 61.715 62.100 0.053 0.000 0.900 566 T CB 0.597 69.479 68.868 0.024 0.000 1.084 566 T HN -0.099 nan 8.240 nan 0.000 0.538 567 E N 0.792 121.064 120.200 0.120 0.000 2.378 567 E HA 0.734 5.085 4.350 0.001 0.000 0.265 567 E C -1.411 175.350 176.600 0.267 0.000 0.932 567 E CA -1.345 55.116 56.400 0.102 0.000 0.795 567 E CB 2.180 31.892 29.700 0.020 0.000 1.296 567 E HN 0.424 nan 8.360 nan 0.000 0.438 568 F N -1.960 118.013 119.950 0.039 0.000 2.678 568 F HA 0.736 5.264 4.527 0.001 0.000 0.308 568 F C -0.661 175.100 175.800 -0.065 0.000 1.118 568 F CA -0.936 57.039 58.000 -0.041 0.000 0.959 568 F CB 1.118 40.100 39.000 -0.030 0.000 1.305 568 F HN 0.442 nan 8.300 nan 0.000 0.443 569 G N 1.073 109.757 108.800 -0.193 0.000 2.420 569 G HA2 0.635 4.596 3.960 0.001 0.000 0.331 569 G HA3 0.635 4.596 3.960 0.001 0.000 0.331 569 G C -2.053 172.812 174.900 -0.059 0.000 1.168 569 G CA -1.207 43.784 45.100 -0.182 0.000 0.936 569 G HN 0.724 nan 8.290 nan 0.000 0.479 570 V N 0.936 120.875 119.914 0.042 0.000 2.487 570 V HA 0.363 4.483 4.120 0.001 0.000 0.298 570 V C 0.155 176.203 176.094 -0.077 0.000 1.028 570 V CA -0.710 61.610 62.300 0.034 0.000 0.860 570 V CB 1.834 33.705 31.823 0.079 0.000 0.991 570 V HN 0.764 nan 8.190 nan 0.000 0.427 571 T N 5.308 119.807 114.554 -0.092 0.000 2.738 571 T HA 0.289 4.640 4.350 0.001 0.000 0.294 571 T C 0.016 174.649 174.700 -0.111 0.000 0.914 571 T CA 0.044 62.100 62.100 -0.074 0.000 1.052 571 T CB -0.538 68.308 68.868 -0.037 0.000 0.897 571 T HN 0.539 nan 8.240 nan 0.000 0.522 572 H N 1.460 120.532 119.070 0.003 0.000 2.500 572 H HA 0.121 4.678 4.556 0.001 0.000 0.351 572 H C 0.864 176.141 175.328 -0.085 0.000 1.281 572 H CA -0.703 55.352 56.048 0.011 0.000 1.368 572 H CB 0.819 30.571 29.762 -0.017 0.000 1.616 572 H HN 0.587 nan 8.280 nan 0.000 0.591 573 Y N 1.615 121.904 120.300 -0.018 0.000 2.114 573 Y HA -0.255 4.296 4.550 0.001 0.000 0.282 573 Y C 2.133 177.853 175.900 -0.299 0.000 1.165 573 Y CA 2.129 60.160 58.100 -0.116 0.000 1.148 573 Y CB -0.408 38.025 38.460 -0.045 0.000 0.972 573 Y HN 0.639 nan 8.280 nan 0.000 0.504 574 A N 0.001 122.451 122.820 -0.616 0.000 2.235 574 A HA 0.445 4.766 4.320 0.001 0.000 0.208 574 A C 1.170 178.540 177.584 -0.356 0.000 1.172 574 A CA 0.988 52.667 52.037 -0.597 0.000 0.786 574 A CB -1.293 17.169 19.000 -0.898 0.000 0.804 574 A HN 0.942 nan 8.150 nan 0.000 0.479 575 G N -1.421 107.227 108.800 -0.252 0.000 2.408 575 G HA2 0.066 4.027 3.960 0.001 0.000 0.682 575 G HA3 0.066 4.027 3.960 0.001 0.000 0.682 575 G C -0.534 174.324 174.900 -0.071 0.000 1.303 575 G CA -0.270 44.739 45.100 -0.150 0.000 0.966 575 G HN 0.610 nan 8.290 nan 0.000 0.560 576 Q N -0.930 118.831 119.800 -0.064 0.000 2.373 576 Q HA 0.549 4.890 4.340 0.001 0.000 0.255 576 Q C -0.474 175.490 176.000 -0.060 0.000 0.980 576 Q CA -0.378 55.399 55.803 -0.044 0.000 0.882 576 Q CB 1.092 29.790 28.738 -0.066 0.000 1.249 576 Q HN 0.748 nan 8.270 nan 0.000 0.438 577 V N 5.222 125.107 119.914 -0.049 0.000 2.531 577 V HA 0.352 4.472 4.120 0.001 0.000 0.301 577 V C -0.408 175.438 176.094 -0.414 0.000 1.034 577 V CA -0.771 61.393 62.300 -0.227 0.000 0.865 577 V CB 1.845 33.541 31.823 -0.210 0.000 0.995 577 V HN 0.876 nan 8.190 nan 0.000 0.424 578 M N 5.016 124.357 119.600 -0.432 0.000 2.157 578 M HA 0.520 5.000 4.480 0.001 0.000 0.354 578 M C -1.147 174.803 176.300 -0.583 0.000 1.170 578 M CA -0.199 54.850 55.300 -0.418 0.000 1.060 578 M CB 1.108 33.577 32.600 -0.218 0.000 1.615 578 M HN 0.549 nan 8.290 nan 0.000 0.460 579 Y N 0.756 120.809 120.300 -0.412 0.000 2.487 579 Y HA 0.410 4.960 4.550 0.001 0.000 0.337 579 Y C 0.402 176.112 175.900 -0.318 0.000 1.076 579 Y CA -0.955 56.943 58.100 -0.337 0.000 1.115 579 Y CB 1.407 39.529 38.460 -0.564 0.000 1.235 579 Y HN 0.585 nan 8.280 nan 0.000 0.468 580 E N 1.446 121.681 120.200 0.059 0.000 2.179 580 E HA 0.398 4.748 4.350 0.001 0.000 0.275 580 E C -0.693 175.802 176.600 -0.176 0.000 0.945 580 E CA -0.588 55.810 56.400 -0.004 0.000 0.792 580 E CB 1.620 31.365 29.700 0.075 0.000 1.125 580 E HN 0.693 nan 8.360 nan 0.000 0.397 581 I N 2.264 122.629 120.570 -0.342 0.000 3.728 581 I HA -0.018 4.152 4.170 0.001 0.000 0.307 581 I C 0.846 176.717 176.117 -0.410 0.000 1.276 581 I CA 0.126 60.951 61.300 -0.792 0.000 1.285 581 I CB -0.024 37.675 38.000 -0.501 0.000 1.038 581 I HN 0.729 nan 8.210 nan 0.000 0.445 582 Q N 1.298 121.045 119.800 -0.088 0.000 2.308 582 Q HA -0.150 4.190 4.340 0.001 0.000 0.313 582 Q C 0.082 176.200 176.000 0.196 0.000 1.075 582 Q CA 1.121 56.953 55.803 0.049 0.000 0.995 582 Q CB 0.189 28.965 28.738 0.063 0.000 1.107 582 Q HN 0.396 nan 8.270 nan 0.000 0.380 583 D N 2.379 122.871 120.400 0.153 0.000 2.946 583 D HA -0.237 4.403 4.640 0.001 0.000 0.202 583 D C -0.067 176.380 176.300 0.246 0.000 1.068 583 D CA 1.146 55.250 54.000 0.173 0.000 1.011 583 D CB -1.266 39.621 40.800 0.145 0.000 1.105 583 D HN 0.689 nan 8.370 nan 0.000 0.425 584 W N 1.261 122.531 121.300 -0.050 0.000 2.321 584 W HA -0.034 4.627 4.660 0.001 0.000 0.306 584 W C 2.579 178.965 176.519 -0.220 0.000 1.217 584 W CA 0.890 58.135 57.345 -0.167 0.000 1.257 584 W CB -1.103 28.278 29.460 -0.131 0.000 1.145 584 W HN 0.200 nan 8.180 nan 0.000 0.509 585 L N -0.372 120.917 121.223 0.111 0.000 2.012 585 L HA -0.250 4.090 4.340 0.001 0.000 0.210 585 L C 2.419 179.284 176.870 -0.008 0.000 1.073 585 L CA 2.056 56.916 54.840 0.033 0.000 0.748 585 L CB -0.991 41.096 42.059 0.046 0.000 0.891 585 L HN 0.043 nan 8.230 nan 0.000 0.431 586 E N 0.583 120.789 120.200 0.010 0.000 2.051 586 E HA -0.236 4.114 4.350 0.001 0.000 0.192 586 E C 2.168 178.749 176.600 -0.032 0.000 0.991 586 E CA 1.244 57.645 56.400 0.001 0.000 0.799 586 E CB 0.123 29.837 29.700 0.023 0.000 0.748 586 E HN 0.355 nan 8.360 nan 0.000 0.449 587 K N 0.293 120.654 120.400 -0.066 0.000 2.103 587 K HA -0.166 4.155 4.320 0.001 0.000 0.207 587 K C 2.033 178.520 176.600 -0.188 0.000 1.048 587 K CA 1.340 57.558 56.287 -0.116 0.000 0.930 587 K CB -0.172 32.209 32.500 -0.198 0.000 0.716 587 K HN 0.058 nan 8.250 nan 0.000 0.444 588 N N 1.133 119.665 118.700 -0.279 0.000 2.270 588 N HA -0.108 4.633 4.740 0.001 0.000 0.181 588 N C 0.930 176.398 175.510 -0.070 0.000 1.016 588 N CA 1.276 54.187 53.050 -0.232 0.000 0.870 588 N CB 0.248 38.592 38.487 -0.238 0.000 0.979 588 N HN 0.147 nan 8.380 nan 0.000 0.431 589 K N -0.838 119.534 120.400 -0.046 0.000 2.308 589 K HA 0.104 4.425 4.320 0.001 0.000 0.197 589 K C 0.006 176.599 176.600 -0.012 0.000 1.049 589 K CA 0.287 56.566 56.287 -0.013 0.000 0.991 589 K CB 0.337 32.835 32.500 -0.004 0.000 0.836 589 K HN -0.095 nan 8.250 nan 0.000 0.500 590 D N 1.498 121.890 120.400 -0.013 0.000 2.697 590 D HA -0.094 4.547 4.640 0.001 0.000 0.235 590 D C -2.366 173.923 176.300 -0.017 0.000 1.167 590 D CA 0.144 54.140 54.000 -0.007 0.000 0.656 590 D CB -0.390 40.410 40.800 -0.000 0.000 1.025 590 D HN 0.161 nan 8.370 nan 0.000 0.419 591 P HA 0.365 nan 4.420 nan 0.000 0.272 591 P C -0.498 176.797 177.300 -0.009 0.000 1.223 591 P CA -0.545 62.547 63.100 -0.012 0.000 0.784 591 P CB 0.924 32.623 31.700 -0.002 0.000 0.923 592 L N 1.436 122.653 121.223 -0.010 0.000 2.493 592 L HA 0.292 4.633 4.340 0.001 0.000 0.265 592 L C -0.586 176.293 176.870 0.015 0.000 0.954 592 L CA -0.637 54.206 54.840 0.005 0.000 0.844 592 L CB 1.949 44.012 42.059 0.007 0.000 1.302 592 L HN 0.196 nan 8.230 nan 0.000 0.405 593 Q N 2.361 122.173 119.800 0.021 0.000 2.283 593 Q HA -0.068 4.273 4.340 0.001 0.000 0.301 593 Q C 0.658 176.679 176.000 0.034 0.000 1.063 593 Q CA 0.487 56.303 55.803 0.022 0.000 0.952 593 Q CB 1.312 30.061 28.738 0.018 0.000 1.166 593 Q HN 0.772 nan 8.270 nan 0.000 0.381 594 Q N 3.063 122.882 119.800 0.032 0.000 2.112 594 Q HA -0.222 4.119 4.340 0.001 0.000 0.206 594 Q C 0.564 176.589 176.000 0.043 0.000 0.987 594 Q CA 2.290 58.119 55.803 0.042 0.000 0.858 594 Q CB 0.139 28.901 28.738 0.040 0.000 0.905 594 Q HN 0.574 nan 8.270 nan 0.000 0.420 595 D N -0.333 120.085 120.400 0.030 0.000 2.182 595 D HA -0.139 4.501 4.640 0.001 0.000 0.201 595 D C 1.772 178.093 176.300 0.036 0.000 0.986 595 D CA 1.049 55.063 54.000 0.023 0.000 0.847 595 D CB -0.140 40.667 40.800 0.011 0.000 0.942 595 D HN 0.335 nan 8.370 nan 0.000 0.467 596 L N 0.750 122.006 121.223 0.055 0.000 2.093 596 L HA -0.133 4.208 4.340 0.001 0.000 0.208 596 L C 2.408 179.326 176.870 0.080 0.000 1.085 596 L CA 0.920 55.817 54.840 0.095 0.000 0.755 596 L CB -0.250 41.856 42.059 0.079 0.000 0.904 596 L HN -0.033 nan 8.230 nan 0.000 0.435 597 E N 0.351 120.602 120.200 0.084 0.000 2.038 597 E HA -0.228 4.123 4.350 0.001 0.000 0.195 597 E C 2.349 178.966 176.600 0.029 0.000 1.000 597 E CA 1.268 57.745 56.400 0.127 0.000 0.803 597 E CB -0.373 29.425 29.700 0.165 0.000 0.750 597 E HN 0.478 nan 8.360 nan 0.000 0.448 598 L N 0.555 121.796 121.223 0.029 0.000 1.990 598 L HA -0.263 4.078 4.340 0.001 0.000 0.213 598 L C 2.978 179.811 176.870 -0.061 0.000 1.072 598 L CA 1.463 56.302 54.840 -0.001 0.000 0.755 598 L CB -0.727 41.334 42.059 0.004 0.000 0.889 598 L HN 0.305 nan 8.230 nan 0.000 0.432 599 C N 0.166 119.418 119.300 -0.080 0.000 2.393 599 C HA -0.256 4.205 4.460 0.001 0.000 0.276 599 C C 2.706 177.483 174.990 -0.355 0.000 1.215 599 C CA 0.960 59.861 59.018 -0.196 0.000 1.743 599 C CB -1.008 26.612 27.740 -0.200 0.000 2.044 599 C HN 0.454 nan 8.230 nan 0.000 0.464 600 F N 0.956 120.617 119.950 -0.481 0.000 2.325 600 F HA 0.060 4.587 4.527 0.001 0.000 0.299 600 F C 2.479 177.990 175.800 -0.482 0.000 1.090 600 F CA 1.465 59.025 58.000 -0.733 0.000 1.392 600 F CB -0.478 37.547 39.000 -1.626 0.000 1.053 600 F HN 0.209 nan 8.300 nan 0.000 0.521 601 K N 0.046 120.351 120.400 -0.159 0.000 2.152 601 K HA -0.179 4.142 4.320 0.001 0.000 0.206 601 K C 0.680 177.275 176.600 -0.008 0.000 1.048 601 K CA 1.500 57.795 56.287 0.012 0.000 0.933 601 K CB -0.199 32.330 32.500 0.048 0.000 0.721 601 K HN 0.182 nan 8.250 nan 0.000 0.447 602 D N 0.316 120.678 120.400 -0.064 0.000 2.325 602 D HA -0.027 4.613 4.640 0.001 0.000 0.225 602 D C 0.228 176.485 176.300 -0.073 0.000 1.096 602 D CA 0.204 54.169 54.000 -0.059 0.000 0.844 602 D CB 0.208 40.962 40.800 -0.077 0.000 0.925 602 D HN -0.024 nan 8.370 nan 0.000 0.513 603 S N 0.526 116.177 115.700 -0.082 0.000 2.552 603 S HA 0.004 4.475 4.470 0.001 0.000 0.289 603 S C 1.584 176.173 174.600 -0.018 0.000 1.304 603 S CA -0.138 58.021 58.200 -0.069 0.000 1.063 603 S CB 0.811 63.997 63.200 -0.022 0.000 0.848 603 S HN 0.195 nan 8.310 nan 0.000 0.499 604 S N 2.564 118.255 115.700 -0.015 0.000 2.555 604 S HA -0.006 4.464 4.470 0.001 0.000 0.230 604 S C 0.252 174.864 174.600 0.019 0.000 0.978 604 S CA 0.324 58.525 58.200 0.001 0.000 0.934 604 S CB -0.463 62.736 63.200 -0.002 0.000 0.766 604 S HN 0.848 nan 8.310 nan 0.000 0.533 605 D N 0.734 121.155 120.400 0.035 0.000 2.302 605 D HA 0.328 4.969 4.640 0.001 0.000 0.248 605 D C 0.769 177.081 176.300 0.020 0.000 1.094 605 D CA -0.314 53.710 54.000 0.040 0.000 0.897 605 D CB 0.785 41.630 40.800 0.075 0.000 1.200 605 D HN 0.072 nan 8.370 nan 0.000 0.429 606 N N 1.497 120.200 118.700 0.006 0.000 2.331 606 N HA -0.064 4.677 4.740 0.001 0.000 0.180 606 N C 1.327 176.807 175.510 -0.050 0.000 1.019 606 N CA 0.375 53.424 53.050 -0.001 0.000 0.881 606 N CB 0.301 38.800 38.487 0.021 0.000 0.972 606 N HN 0.215 nan 8.380 nan 0.000 0.435 607 V N -0.369 119.464 119.914 -0.136 0.000 2.446 607 V HA -0.060 4.061 4.120 0.001 0.000 0.244 607 V C 2.022 177.940 176.094 -0.293 0.000 1.039 607 V CA 0.848 62.917 62.300 -0.386 0.000 1.045 607 V CB -0.217 31.230 31.823 -0.628 0.000 0.681 607 V HN 0.079 nan 8.190 nan 0.000 0.459 608 V N 0.110 119.969 119.914 -0.092 0.000 2.469 608 V HA -0.283 3.838 4.120 0.001 0.000 0.251 608 V C 2.530 178.709 176.094 0.142 0.000 1.064 608 V CA 2.557 64.898 62.300 0.069 0.000 1.066 608 V CB -1.118 30.820 31.823 0.191 0.000 0.667 608 V HN 0.592 nan 8.190 nan 0.000 0.461 609 T N -0.587 114.010 114.554 0.071 0.000 2.867 609 T HA -0.128 4.223 4.350 0.001 0.000 0.268 609 T C 2.001 176.755 174.700 0.089 0.000 1.057 609 T CA 0.973 63.132 62.100 0.098 0.000 1.136 609 T CB -0.178 68.724 68.868 0.056 0.000 0.874 609 T HN 0.336 nan 8.240 nan 0.000 0.466 610 K N 1.577 121.984 120.400 0.011 0.000 2.057 610 K HA 0.143 4.464 4.320 0.001 0.000 0.206 610 K C 2.196 178.790 176.600 -0.010 0.000 1.050 610 K CA 0.778 57.077 56.287 0.020 0.000 0.935 610 K CB -0.932 31.597 32.500 0.050 0.000 0.715 610 K HN 0.370 nan 8.250 nan 0.000 0.439 611 L N -0.631 120.534 121.223 -0.097 0.000 2.127 611 L HA -0.136 4.205 4.340 0.001 0.000 0.211 611 L C 1.928 178.553 176.870 -0.408 0.000 1.089 611 L CA 1.319 56.008 54.840 -0.252 0.000 0.757 611 L CB -0.406 41.455 42.059 -0.331 0.000 0.899 611 L HN 0.018 nan 8.230 nan 0.000 0.434 612 F N -0.989 118.939 119.950 -0.036 0.000 2.694 612 F HA 0.078 4.606 4.527 0.001 0.000 0.292 612 F C 1.863 177.665 175.800 0.004 0.000 1.121 612 F CA 0.277 58.268 58.000 -0.016 0.000 1.352 612 F CB -0.082 38.927 39.000 0.015 0.000 1.107 612 F HN -0.001 nan 8.300 nan 0.000 0.597 613 N N -1.068 117.721 118.700 0.148 0.000 2.282 613 N HA -0.044 4.697 4.740 0.001 0.000 0.185 613 N C -0.224 175.326 175.510 0.068 0.000 1.099 613 N CA 0.028 53.142 53.050 0.105 0.000 0.878 613 N CB 0.356 38.900 38.487 0.096 0.000 0.993 613 N HN -0.067 nan 8.380 nan 0.000 0.481 614 D N 1.369 121.797 120.400 0.047 0.000 2.411 614 D HA 0.116 4.757 4.640 0.001 0.000 0.225 614 D C -1.682 174.633 176.300 0.025 0.000 1.156 614 D CA -2.534 51.490 54.000 0.040 0.000 0.874 614 D CB 1.118 41.949 40.800 0.052 0.000 1.034 614 D HN 0.020 nan 8.370 nan 0.000 0.502 615 P HA -0.182 nan 4.420 nan 0.000 0.218 615 P C 0.802 178.127 177.300 0.042 0.000 1.146 615 P CA 0.877 64.015 63.100 0.063 0.000 0.820 615 P CB 0.339 32.096 31.700 0.094 0.000 0.778 616 N N -1.040 117.676 118.700 0.026 0.000 2.459 616 N HA 0.004 4.744 4.740 0.001 0.000 0.181 616 N C 1.717 177.221 175.510 -0.010 0.000 1.046 616 N CA 0.757 53.813 53.050 0.011 0.000 0.904 616 N CB -0.133 38.355 38.487 0.002 0.000 0.964 616 N HN 0.302 nan 8.380 nan 0.000 0.444 617 I N -0.421 120.136 120.570 -0.023 0.000 3.136 617 I HA 0.078 4.248 4.170 0.001 0.000 0.262 617 I C 1.922 177.966 176.117 -0.121 0.000 1.132 617 I CA 0.221 61.489 61.300 -0.054 0.000 1.450 617 I CB -0.164 37.820 38.000 -0.026 0.000 1.315 617 I HN -0.085 nan 8.210 nan 0.000 0.460 618 A N 0.297 123.033 122.820 -0.140 0.000 2.067 618 A HA 0.017 4.337 4.320 0.001 0.000 0.219 618 A C 1.073 178.526 177.584 -0.219 0.000 1.158 618 A CA 1.047 52.953 52.037 -0.218 0.000 0.661 618 A CB -0.226 18.662 19.000 -0.187 0.000 0.801 618 A HN 0.400 nan 8.150 nan 0.000 0.452 619 S N -2.382 113.226 115.700 -0.155 0.000 2.599 619 S HA 0.496 4.967 4.470 0.001 0.000 0.287 619 S C 0.524 175.085 174.600 -0.065 0.000 1.105 619 S CA -0.782 57.280 58.200 -0.229 0.000 0.899 619 S CB 1.796 64.817 63.200 -0.298 0.000 1.100 619 S HN 0.384 nan 8.310 nan 0.000 0.482 620 R N 0.358 120.821 120.500 -0.063 0.000 2.090 620 R HA 0.168 4.508 4.340 0.001 0.000 0.228 620 R C 0.854 177.245 176.300 0.150 0.000 1.110 620 R CA 1.155 57.288 56.100 0.054 0.000 0.973 620 R CB -0.056 30.284 30.300 0.066 0.000 0.869 620 R HN 0.687 nan 8.270 nan 0.000 0.440 628 I N -0.660 120.039 120.570 0.216 0.000 2.783 628 I HA 0.795 4.966 4.170 0.001 0.000 0.312 628 I C 0.308 176.501 176.117 0.127 0.000 0.988 628 I CA -0.688 60.692 61.300 0.134 0.000 1.182 628 I CB 1.705 39.772 38.000 0.111 0.000 1.368 628 I HN 0.704 nan 8.210 nan 0.000 0.511 629 T N 0.597 115.212 114.554 0.102 0.000 2.754 629 T HA 0.230 4.581 4.350 0.001 0.000 0.286 629 T C 1.166 175.937 174.700 0.117 0.000 0.997 629 T CA -0.664 61.491 62.100 0.091 0.000 0.982 629 T CB 1.378 70.290 68.868 0.073 0.000 1.027 629 T HN 0.457 nan 8.240 nan 0.000 0.529 630 V N 1.271 121.254 119.914 0.116 0.000 2.343 630 V HA -0.099 4.021 4.120 0.001 0.000 0.247 630 V C 3.104 179.368 176.094 0.284 0.000 1.051 630 V CA 2.167 64.581 62.300 0.189 0.000 1.036 630 V CB -1.704 30.234 31.823 0.192 0.000 0.654 630 V HN 1.065 nan 8.190 nan 0.000 0.451 631 A N 0.090 123.083 122.820 0.288 0.000 1.902 631 A HA -0.110 4.211 4.320 0.001 0.000 0.217 631 A C 2.417 180.157 177.584 0.261 0.000 1.181 631 A CA 2.090 54.328 52.037 0.336 0.000 0.623 631 A CB -0.757 18.399 19.000 0.261 0.000 0.818 631 A HN 0.567 nan 8.150 nan 0.000 0.443 632 A N -0.728 122.205 122.820 0.189 0.000 1.930 632 A HA -0.188 4.132 4.320 0.001 0.000 0.217 632 A C 2.214 179.894 177.584 0.161 0.000 1.175 632 A CA 1.722 53.852 52.037 0.155 0.000 0.627 632 A CB -0.530 18.539 19.000 0.115 0.000 0.815 632 A HN 0.696 nan 8.150 nan 0.000 0.443 633 Q N -1.952 117.950 119.800 0.170 0.000 2.079 633 Q HA -0.219 4.122 4.340 0.001 0.000 0.200 633 Q C 1.920 178.018 176.000 0.162 0.000 0.974 633 Q CA 1.767 57.659 55.803 0.148 0.000 0.840 633 Q CB -0.341 28.477 28.738 0.134 0.000 0.898 633 Q HN 0.711 nan 8.270 nan 0.000 0.430 634 Y N 1.390 121.759 120.300 0.116 0.000 2.181 634 Y HA -0.211 4.339 4.550 0.001 0.000 0.288 634 Y C 2.381 178.347 175.900 0.109 0.000 1.146 634 Y CA 2.120 60.281 58.100 0.101 0.000 1.164 634 Y CB 0.032 38.536 38.460 0.073 0.000 0.982 634 Y HN 0.058 nan 8.280 nan 0.000 0.515 635 K N 0.260 120.856 120.400 0.327 0.000 2.057 635 K HA -0.263 4.058 4.320 0.001 0.000 0.207 635 K C 2.173 178.834 176.600 0.102 0.000 1.049 635 K CA 1.855 58.323 56.287 0.301 0.000 0.931 635 K CB -0.220 32.452 32.500 0.288 0.000 0.714 635 K HN 0.478 nan 8.250 nan 0.000 0.440 636 E N 0.408 120.653 120.200 0.076 0.000 2.047 636 E HA -0.212 4.139 4.350 0.001 0.000 0.191 636 E C 1.979 178.565 176.600 -0.024 0.000 0.987 636 E CA 1.292 57.710 56.400 0.030 0.000 0.799 636 E CB 0.079 29.806 29.700 0.045 0.000 0.752 636 E HN 0.376 nan 8.360 nan 0.000 0.449 637 Q N 0.077 119.850 119.800 -0.045 0.000 2.170 637 Q HA -0.173 4.168 4.340 0.001 0.000 0.203 637 Q C 2.323 178.214 176.000 -0.183 0.000 0.976 637 Q CA 1.147 56.909 55.803 -0.068 0.000 0.858 637 Q CB -0.158 28.585 28.738 0.009 0.000 0.907 637 Q HN 0.307 nan 8.270 nan 0.000 0.433 638 L N 0.598 121.633 121.223 -0.314 0.000 2.056 638 L HA -0.033 4.307 4.340 0.001 0.000 0.207 638 L C 2.178 178.880 176.870 -0.280 0.000 1.078 638 L CA 1.954 56.544 54.840 -0.416 0.000 0.749 638 L CB -0.742 41.000 42.059 -0.529 0.000 0.901 638 L HN 0.086 nan 8.230 nan 0.000 0.433 639 A N -1.059 121.663 122.820 -0.163 0.000 1.933 639 A HA -0.162 4.159 4.320 0.001 0.000 0.218 639 A C 2.327 179.844 177.584 -0.111 0.000 1.175 639 A CA 1.897 53.871 52.037 -0.106 0.000 0.628 639 A CB -0.936 18.045 19.000 -0.032 0.000 0.814 639 A HN 0.569 nan 8.150 nan 0.000 0.444 640 S N -0.157 115.482 115.700 -0.102 0.000 2.356 640 S HA -0.163 4.308 4.470 0.001 0.000 0.223 640 S C 1.865 176.376 174.600 -0.149 0.000 1.032 640 S CA 1.427 59.572 58.200 -0.092 0.000 1.005 640 S CB -0.562 62.600 63.200 -0.063 0.000 0.867 640 S HN 0.522 nan 8.310 nan 0.000 0.449 641 L N 1.737 122.828 121.223 -0.219 0.000 2.012 641 L HA -0.055 4.286 4.340 0.001 0.000 0.210 641 L C 2.093 178.742 176.870 -0.367 0.000 1.073 641 L CA 1.878 56.501 54.840 -0.362 0.000 0.748 641 L CB -0.754 41.035 42.059 -0.451 0.000 0.891 641 L HN 0.178 nan 8.230 nan 0.000 0.431 642 M N -0.505 118.905 119.600 -0.316 0.000 2.213 642 M HA -0.080 4.400 4.480 0.001 0.000 0.263 642 M C 2.407 178.584 176.300 -0.204 0.000 1.062 642 M CA 1.563 56.672 55.300 -0.317 0.000 1.105 642 M CB -1.864 30.593 32.600 -0.237 0.000 1.385 642 M HN 0.464 nan 8.290 nan 0.000 0.417 643 A N 0.116 122.858 122.820 -0.129 0.000 1.865 643 A HA -0.165 4.156 4.320 0.001 0.000 0.217 643 A C 2.359 179.928 177.584 -0.025 0.000 1.191 643 A CA 2.437 54.444 52.037 -0.049 0.000 0.623 643 A CB -1.211 17.772 19.000 -0.030 0.000 0.826 643 A HN 0.456 nan 8.150 nan 0.000 0.444 644 T N 0.787 115.308 114.554 -0.055 0.000 2.607 644 T HA -0.178 4.172 4.350 0.001 0.000 0.267 644 T C 1.828 176.568 174.700 0.067 0.000 1.049 644 T CA 1.683 63.801 62.100 0.030 0.000 1.162 644 T CB -0.567 68.285 68.868 -0.028 0.000 0.863 644 T HN 0.374 nan 8.240 nan 0.000 0.424 645 L N 0.905 122.068 121.223 -0.100 0.000 2.081 645 L HA -0.144 4.197 4.340 0.001 0.000 0.212 645 L C 2.869 179.772 176.870 0.056 0.000 1.080 645 L CA 1.278 56.044 54.840 -0.123 0.000 0.754 645 L CB -0.648 41.062 42.059 -0.582 0.000 0.893 645 L HN 0.248 nan 8.230 nan 0.000 0.433 646 E N -0.160 120.077 120.200 0.062 0.000 2.204 646 E HA -0.183 4.167 4.350 0.001 0.000 0.195 646 E C 2.069 178.784 176.600 0.192 0.000 0.990 646 E CA 1.806 58.349 56.400 0.239 0.000 0.821 646 E CB -0.213 29.586 29.700 0.165 0.000 0.750 646 E HN 0.606 nan 8.360 nan 0.000 0.477 647 T N -1.559 113.086 114.554 0.151 0.000 3.129 647 T HA 0.020 4.371 4.350 0.001 0.000 0.251 647 T C 1.014 175.785 174.700 0.118 0.000 1.117 647 T CA 0.364 62.547 62.100 0.138 0.000 1.034 647 T CB -0.205 68.757 68.868 0.157 0.000 0.968 647 T HN 0.080 nan 8.240 nan 0.000 0.526 648 T N 0.002 114.635 114.554 0.131 0.000 2.937 648 T HA 0.526 4.876 4.350 0.001 0.000 0.283 648 T C -0.540 174.182 174.700 0.036 0.000 1.012 648 T CA -1.050 61.086 62.100 0.059 0.000 0.997 648 T CB 1.361 70.279 68.868 0.084 0.000 1.136 648 T HN 0.131 nan 8.240 nan 0.000 0.551 649 N N 2.354 121.039 118.700 -0.025 0.000 2.457 649 N HA 0.443 5.183 4.740 0.001 0.000 0.250 649 N C -2.704 172.638 175.510 -0.281 0.000 0.982 649 N CA -2.062 50.925 53.050 -0.105 0.000 0.941 649 N CB 1.114 39.569 38.487 -0.054 0.000 1.120 649 N HN 0.382 nan 8.380 nan 0.000 0.505 650 P HA 0.289 nan 4.420 nan 0.000 0.282 650 P C -1.231 175.467 177.300 -1.004 0.000 1.259 650 P CA -0.162 62.592 63.100 -0.577 0.000 0.826 650 P CB 1.234 32.621 31.700 -0.522 0.000 1.064 651 H N 1.049 119.831 119.070 -0.481 0.000 2.667 651 H HA 0.380 4.936 4.556 0.001 0.000 0.353 651 H C -0.881 174.216 175.328 -0.385 0.000 1.072 651 H CA -0.268 55.620 56.048 -0.266 0.000 1.214 651 H CB 1.088 30.828 29.762 -0.037 0.000 1.600 651 H HN 0.304 nan 8.280 nan 0.000 0.527 652 F N 1.603 121.759 119.950 0.344 0.000 2.402 652 F HA 0.322 4.850 4.527 0.001 0.000 0.355 652 F C 0.185 176.229 175.800 0.407 0.000 1.123 652 F CA -0.882 57.351 58.000 0.387 0.000 1.021 652 F CB 1.575 40.858 39.000 0.472 0.000 1.160 652 F HN 0.115 nan 8.300 nan 0.000 0.451 653 V N 4.616 124.778 119.914 0.414 0.000 2.357 653 V HA 0.510 4.630 4.120 0.001 0.000 0.284 653 V C -0.216 175.998 176.094 0.201 0.000 1.018 653 V CA -0.902 61.574 62.300 0.293 0.000 0.841 653 V CB 1.344 33.288 31.823 0.202 0.000 0.991 653 V HN 0.514 nan 8.190 nan 0.000 0.437 654 R N 2.948 123.511 120.500 0.106 0.000 2.247 654 R HA 0.413 4.754 4.340 0.001 0.000 0.329 654 R C -0.737 175.546 176.300 -0.030 0.000 1.014 654 R CA -0.377 55.699 56.100 -0.041 0.000 0.907 654 R CB 0.929 31.066 30.300 -0.271 0.000 1.146 654 R HN 0.661 nan 8.270 nan 0.000 0.499 655 C N 4.126 123.418 119.300 -0.014 0.000 2.527 655 C HA 0.518 4.979 4.460 0.001 0.000 0.396 655 C C 0.890 175.847 174.990 -0.055 0.000 1.289 655 C CA -0.418 58.579 59.018 -0.034 0.000 2.047 655 C CB -0.367 27.358 27.740 -0.024 0.000 2.568 655 C HN 0.634 nan 8.230 nan 0.000 0.573 656 I N 3.195 123.717 120.570 -0.080 0.000 2.545 656 I HA 0.441 4.611 4.170 0.001 0.000 0.292 656 I C -0.225 175.838 176.117 -0.091 0.000 1.040 656 I CA -0.323 60.931 61.300 -0.078 0.000 1.068 656 I CB 1.428 39.374 38.000 -0.091 0.000 1.251 656 I HN 0.587 nan 8.210 nan 0.000 0.424 657 I N 7.982 128.526 120.570 -0.044 0.000 2.365 657 I HA 0.321 4.492 4.170 0.001 0.000 0.291 657 I C -1.453 174.661 176.117 -0.005 0.000 1.004 657 I CA -1.987 59.312 61.300 -0.001 0.000 1.311 657 I CB 1.840 39.890 38.000 0.083 0.000 1.401 657 I HN 0.449 nan 8.210 nan 0.000 0.491 658 P HA -0.003 nan 4.420 nan 0.000 0.225 658 P C -0.984 176.328 177.300 0.020 0.000 1.156 658 P CA 0.926 63.985 63.100 -0.070 0.000 0.787 658 P CB -0.085 31.542 31.700 -0.122 0.000 0.802 659 N N -2.453 116.306 118.700 0.099 0.000 3.308 659 N HA 0.146 4.886 4.740 0.001 0.000 0.276 659 N C -0.248 175.294 175.510 0.053 0.000 1.533 659 N CA -0.776 52.305 53.050 0.052 0.000 0.878 659 N CB -0.549 37.961 38.487 0.038 0.000 1.566 659 N HN -0.407 nan 8.380 nan 0.000 0.546 660 N N -0.919 117.782 118.700 0.002 0.000 2.230 660 N HA 0.149 4.890 4.740 0.001 0.000 0.202 660 N C -0.354 175.114 175.510 -0.071 0.000 1.119 660 N CA 0.237 53.276 53.050 -0.017 0.000 0.851 660 N CB 0.377 38.853 38.487 -0.017 0.000 0.990 660 N HN 0.504 nan 8.380 nan 0.000 0.497 661 K N 0.391 120.728 120.400 -0.105 0.000 2.358 661 K HA 0.211 4.532 4.320 0.001 0.000 0.200 661 K C -0.055 176.349 176.600 -0.326 0.000 1.030 661 K CA -0.042 56.148 56.287 -0.162 0.000 1.097 661 K CB 0.534 32.965 32.500 -0.114 0.000 0.862 661 K HN -0.036 nan 8.250 nan 0.000 0.534 662 Q N 0.384 119.829 119.800 -0.592 0.000 2.494 662 Q HA -0.202 4.138 4.340 0.001 0.000 0.272 662 Q C -0.877 174.493 176.000 -1.051 0.000 1.145 662 Q CA 0.493 55.492 55.803 -1.341 0.000 0.943 662 Q CB -1.748 26.533 28.738 -0.761 0.000 1.338 662 Q HN 0.343 nan 8.270 nan 0.000 0.492 663 L N 0.322 121.208 121.223 -0.561 0.000 2.334 663 L HA 0.649 4.990 4.340 0.001 0.000 0.273 663 L C -1.992 174.955 176.870 0.127 0.000 1.013 663 L CA -2.260 52.483 54.840 -0.162 0.000 0.816 663 L CB 1.275 43.292 42.059 -0.071 0.000 1.278 663 L HN -0.142 nan 8.230 nan 0.000 0.431 664 P HA 0.195 nan 4.420 nan 0.000 0.279 664 P C -0.269 177.132 177.300 0.168 0.000 1.276 664 P CA -0.273 62.956 63.100 0.215 0.000 0.801 664 P CB 0.920 32.690 31.700 0.117 0.000 1.127 665 A N -0.636 122.290 122.820 0.177 0.000 2.748 665 A HA -0.186 4.135 4.320 0.001 0.000 0.297 665 A C 0.331 178.025 177.584 0.183 0.000 1.508 665 A CA 1.146 53.275 52.037 0.154 0.000 0.799 665 A CB -2.292 16.742 19.000 0.057 0.000 1.011 665 A HN 0.460 nan 8.150 nan 0.000 0.500 666 K N -0.583 119.962 120.400 0.241 0.000 2.950 666 K HA 0.334 4.655 4.320 0.001 0.000 0.199 666 K C -1.016 175.653 176.600 0.114 0.000 1.144 666 K CA -0.348 56.026 56.287 0.146 0.000 0.983 666 K CB 0.570 33.126 32.500 0.094 0.000 1.187 666 K HN 0.526 nan 8.250 nan 0.000 0.595 667 L N 2.381 123.659 121.223 0.091 0.000 2.268 667 L HA 0.249 4.590 4.340 0.001 0.000 0.289 667 L C -0.218 176.711 176.870 0.098 0.000 1.064 667 L CA 0.116 54.944 54.840 -0.019 0.000 0.824 667 L CB 0.445 42.391 42.059 -0.189 0.000 1.202 667 L HN 0.234 nan 8.230 nan 0.000 0.433 668 E N 2.681 122.908 120.200 0.046 0.000 2.130 668 E HA 0.057 4.407 4.350 0.001 0.000 0.284 668 E C 0.325 176.866 176.600 -0.099 0.000 1.018 668 E CA -0.250 56.153 56.400 0.005 0.000 0.817 668 E CB 0.916 30.607 29.700 -0.016 0.000 1.078 668 E HN 0.711 nan 8.360 nan 0.000 0.396 669 D N 3.787 124.050 120.400 -0.229 0.000 2.133 669 D HA -0.319 4.321 4.640 0.001 0.000 0.192 669 D C 1.884 177.881 176.300 -0.506 0.000 1.001 669 D CA 2.131 55.679 54.000 -0.752 0.000 0.844 669 D CB -0.371 39.977 40.800 -0.753 0.000 0.944 669 D HN 0.398 nan 8.370 nan 0.000 0.447 670 K N 0.993 121.230 120.400 -0.271 0.000 2.057 670 K HA 0.047 4.367 4.320 0.001 0.000 0.206 670 K C 2.497 179.004 176.600 -0.154 0.000 1.050 670 K CA 1.372 57.544 56.287 -0.192 0.000 0.935 670 K CB -1.230 31.193 32.500 -0.129 0.000 0.715 670 K HN 0.199 nan 8.250 nan 0.000 0.439 671 V N 0.891 120.732 119.914 -0.123 0.000 2.343 671 V HA -0.229 3.892 4.120 0.001 0.000 0.247 671 V C 2.485 178.529 176.094 -0.083 0.000 1.051 671 V CA 1.758 64.012 62.300 -0.078 0.000 1.036 671 V CB -0.118 31.678 31.823 -0.046 0.000 0.654 671 V HN 0.407 nan 8.190 nan 0.000 0.451 672 V N -0.259 119.587 119.914 -0.113 0.000 2.244 672 V HA -0.245 3.876 4.120 0.001 0.000 0.244 672 V C 2.324 178.358 176.094 -0.101 0.000 1.042 672 V CA 2.072 64.326 62.300 -0.076 0.000 1.006 672 V CB -0.551 31.297 31.823 0.041 0.000 0.641 672 V HN 0.426 nan 8.190 nan 0.000 0.446 673 L N 0.459 121.562 121.223 -0.199 0.000 2.081 673 L HA -0.255 4.086 4.340 0.001 0.000 0.212 673 L C 2.406 179.218 176.870 -0.097 0.000 1.080 673 L CA 2.133 56.880 54.840 -0.155 0.000 0.754 673 L CB -0.765 41.171 42.059 -0.206 0.000 0.893 673 L HN 0.472 nan 8.230 nan 0.000 0.433 674 D N -0.314 120.028 120.400 -0.096 0.000 2.123 674 D HA -0.232 4.409 4.640 0.001 0.000 0.196 674 D C 2.174 178.442 176.300 -0.053 0.000 0.992 674 D CA 1.567 55.525 54.000 -0.071 0.000 0.833 674 D CB 0.030 40.792 40.800 -0.064 0.000 0.954 674 D HN 0.357 nan 8.370 nan 0.000 0.455 675 Q N -0.534 119.238 119.800 -0.046 0.000 2.123 675 Q HA -0.002 4.338 4.340 0.001 0.000 0.199 675 Q C 2.502 178.477 176.000 -0.042 0.000 0.966 675 Q CA 0.811 56.596 55.803 -0.031 0.000 0.845 675 Q CB -0.033 28.687 28.738 -0.030 0.000 0.907 675 Q HN 0.376 nan 8.270 nan 0.000 0.439 676 L N 0.032 121.224 121.223 -0.051 0.000 2.131 676 L HA -0.168 4.173 4.340 0.001 0.000 0.210 676 L C 2.430 179.275 176.870 -0.042 0.000 1.092 676 L CA 1.086 55.892 54.840 -0.056 0.000 0.759 676 L CB -0.298 41.739 42.059 -0.036 0.000 0.903 676 L HN 0.139 nan 8.230 nan 0.000 0.435 677 R N -0.865 119.608 120.500 -0.044 0.000 2.075 677 R HA -0.108 4.232 4.340 0.001 0.000 0.232 677 R C 2.381 178.655 176.300 -0.044 0.000 1.126 677 R CA 1.648 57.718 56.100 -0.051 0.000 0.963 677 R CB -0.445 29.810 30.300 -0.074 0.000 0.858 677 R HN 0.375 nan 8.270 nan 0.000 0.435 678 C N 1.355 120.639 119.300 -0.028 0.000 2.446 678 C HA -0.000 4.460 4.460 0.001 0.000 0.279 678 C C 1.711 176.820 174.990 0.198 0.000 1.366 678 C CA 0.538 59.567 59.018 0.017 0.000 1.763 678 C CB -0.993 26.755 27.740 0.012 0.000 1.929 678 C HN 0.617 nan 8.230 nan 0.000 0.509 679 N N 0.104 118.871 118.700 0.112 0.000 2.270 679 N HA 0.215 4.955 4.740 0.001 0.000 0.198 679 N C 1.088 176.583 175.510 -0.025 0.000 1.117 679 N CA 0.949 54.038 53.050 0.066 0.000 0.845 679 N CB -0.185 38.257 38.487 -0.074 0.000 0.980 679 N HN 0.473 nan 8.380 nan 0.000 0.486 680 G N -0.673 108.210 108.800 0.138 0.000 2.217 680 G HA2 -0.326 3.635 3.960 0.001 0.000 0.246 680 G HA3 -0.326 3.635 3.960 0.001 0.000 0.246 680 G C 0.803 175.727 174.900 0.041 0.000 0.990 680 G CA 0.305 45.489 45.100 0.140 0.000 0.627 680 G HN 0.223 nan 8.290 nan 0.000 0.522 681 V N 1.374 121.192 119.914 -0.159 0.000 2.261 681 V HA -0.092 4.028 4.120 0.001 0.000 0.246 681 V C 2.895 179.038 176.094 0.081 0.000 1.047 681 V CA 2.333 64.575 62.300 -0.097 0.000 1.015 681 V CB -0.574 31.109 31.823 -0.233 0.000 0.642 681 V HN 0.462 nan 8.190 nan 0.000 0.446 682 L N -0.154 121.097 121.223 0.046 0.000 2.141 682 L HA -0.161 4.179 4.340 0.001 0.000 0.209 682 L C 2.625 179.553 176.870 0.096 0.000 1.094 682 L CA 1.756 56.634 54.840 0.062 0.000 0.763 682 L CB -0.609 41.464 42.059 0.024 0.000 0.908 682 L HN 0.470 nan 8.230 nan 0.000 0.437 683 E N 0.732 121.006 120.200 0.122 0.000 2.072 683 E HA -0.176 4.174 4.350 0.001 0.000 0.191 683 E C 2.153 178.867 176.600 0.191 0.000 0.985 683 E CA 1.250 57.740 56.400 0.150 0.000 0.801 683 E CB -0.089 29.734 29.700 0.204 0.000 0.750 683 E HN 0.439 nan 8.360 nan 0.000 0.452 684 G N 1.496 110.449 108.800 0.255 0.000 2.422 684 G HA2 -0.223 3.738 3.960 0.001 0.000 0.218 684 G HA3 -0.223 3.738 3.960 0.001 0.000 0.218 684 G C 1.647 176.673 174.900 0.210 0.000 1.146 684 G CA 0.742 46.014 45.100 0.286 0.000 0.769 684 G HN 0.249 nan 8.290 nan 0.000 0.547 685 I N -0.105 120.576 120.570 0.186 0.000 2.202 685 I HA -0.136 4.035 4.170 0.001 0.000 0.242 685 I C 3.019 179.206 176.117 0.117 0.000 1.091 685 I CA 0.785 62.173 61.300 0.145 0.000 1.368 685 I CB -0.283 37.792 38.000 0.125 0.000 1.058 685 I HN 0.107 nan 8.210 nan 0.000 0.410 686 R N 0.832 121.396 120.500 0.107 0.000 2.133 686 R HA -0.229 4.112 4.340 0.001 0.000 0.245 686 R C 2.304 178.658 176.300 0.090 0.000 1.137 686 R CA 1.889 58.042 56.100 0.088 0.000 0.947 686 R CB -0.591 29.756 30.300 0.079 0.000 0.865 686 R HN 0.352 nan 8.270 nan 0.000 0.437 687 I N 0.010 120.644 120.570 0.107 0.000 2.127 687 I HA -0.323 3.848 4.170 0.001 0.000 0.241 687 I C 2.334 178.507 176.117 0.093 0.000 1.075 687 I CA 1.674 63.035 61.300 0.102 0.000 1.334 687 I CB -0.655 37.418 38.000 0.122 0.000 1.040 687 I HN 0.265 nan 8.210 nan 0.000 0.405 688 T N 0.312 114.930 114.554 0.106 0.000 2.622 688 T HA -0.276 4.075 4.350 0.001 0.000 0.266 688 T C 1.942 176.702 174.700 0.100 0.000 1.047 688 T CA 1.934 64.099 62.100 0.108 0.000 1.159 688 T CB -0.424 68.516 68.868 0.120 0.000 0.863 688 T HN 0.308 nan 8.240 nan 0.000 0.422 689 R N 1.265 121.817 120.500 0.086 0.000 2.226 689 R HA -0.139 4.201 4.340 0.001 0.000 0.246 689 R C 2.057 178.382 176.300 0.041 0.000 1.161 689 R CA 1.510 57.649 56.100 0.065 0.000 0.997 689 R CB -0.136 30.205 30.300 0.068 0.000 0.870 689 R HN 0.338 nan 8.270 nan 0.000 0.465 690 K N -0.840 119.590 120.400 0.050 0.000 2.155 690 K HA 0.001 4.321 4.320 0.001 0.000 0.203 690 K C 1.598 178.203 176.600 0.009 0.000 1.052 690 K CA 1.118 57.424 56.287 0.031 0.000 0.948 690 K CB 0.129 32.658 32.500 0.049 0.000 0.728 690 K HN 0.418 nan 8.250 nan 0.000 0.448 691 G N 0.315 109.154 108.800 0.065 0.000 2.593 691 G HA2 0.136 4.097 3.960 0.001 0.000 0.212 691 G HA3 0.136 4.097 3.960 0.001 0.000 0.212 691 G C -0.162 174.704 174.900 -0.057 0.000 1.934 691 G CA -0.224 44.960 45.100 0.139 0.000 0.861 691 G HN 0.122 nan 8.290 nan 0.000 0.629 692 F N 1.711 121.838 119.950 0.296 0.000 2.710 692 F HA 0.343 4.870 4.527 0.001 0.000 0.345 692 F C -1.647 174.201 175.800 0.080 0.000 1.362 692 F CA -1.504 56.630 58.000 0.224 0.000 1.175 692 F CB 2.484 41.705 39.000 0.368 0.000 1.561 692 F HN 0.119 nan 8.300 nan 0.000 0.593 693 P HA -0.146 nan 4.420 nan 0.000 0.216 693 P C -0.471 176.850 177.300 0.035 0.000 1.150 693 P CA 1.320 64.476 63.100 0.093 0.000 0.837 693 P CB 0.158 31.904 31.700 0.077 0.000 0.786 694 N N 0.223 118.961 118.700 0.063 0.000 2.438 694 N HA 0.389 5.129 4.740 0.001 0.000 0.282 694 N C -0.385 175.069 175.510 -0.092 0.000 1.037 694 N CA -0.551 52.535 53.050 0.060 0.000 0.942 694 N CB 0.784 39.386 38.487 0.191 0.000 1.136 694 N HN -0.044 nan 8.380 nan 0.000 0.481 695 R N 2.079 122.458 120.500 -0.202 0.000 2.510 695 R HA 0.502 4.843 4.340 0.001 0.000 0.294 695 R C -1.405 174.788 176.300 -0.179 0.000 1.056 695 R CA -0.643 55.189 56.100 -0.447 0.000 0.918 695 R CB 1.047 30.790 30.300 -0.929 0.000 1.187 695 R HN 0.410 nan 8.270 nan 0.000 0.437 696 I N 2.748 123.238 120.570 -0.134 0.000 2.689 696 I HA 0.352 4.523 4.170 0.001 0.000 0.299 696 I C -0.085 175.947 176.117 -0.141 0.000 1.059 696 I CA -0.977 60.308 61.300 -0.025 0.000 1.055 696 I CB 1.585 39.699 38.000 0.190 0.000 1.243 696 I HN 0.414 nan 8.210 nan 0.000 0.425 697 I N 5.115 125.656 120.570 -0.048 0.000 2.517 697 I HA -0.014 4.157 4.170 0.001 0.000 0.285 697 I C 1.128 177.264 176.117 0.031 0.000 1.106 697 I CA 0.441 61.711 61.300 -0.050 0.000 1.402 697 I CB -0.350 37.671 38.000 0.035 0.000 1.399 697 I HN 0.653 nan 8.210 nan 0.000 0.535 698 Y N 5.569 125.942 120.300 0.122 0.000 2.029 698 Y HA -0.389 4.162 4.550 0.001 0.000 0.269 698 Y C 2.460 178.486 175.900 0.209 0.000 1.201 698 Y CA 2.308 60.499 58.100 0.152 0.000 1.115 698 Y CB -0.435 38.094 38.460 0.114 0.000 0.945 698 Y HN 0.706 nan 8.280 nan 0.000 0.497 699 A N 0.023 123.025 122.820 0.304 0.000 1.940 699 A HA -0.231 4.090 4.320 0.001 0.000 0.219 699 A C 1.863 179.555 177.584 0.181 0.000 1.176 699 A CA 2.059 54.218 52.037 0.205 0.000 0.631 699 A CB -0.741 18.338 19.000 0.131 0.000 0.814 699 A HN 0.472 nan 8.150 nan 0.000 0.446 700 D N -1.018 119.487 120.400 0.176 0.000 2.104 700 D HA -0.165 4.476 4.640 0.001 0.000 0.194 700 D C 1.623 178.034 176.300 0.185 0.000 0.994 700 D CA 1.392 55.478 54.000 0.143 0.000 0.830 700 D CB -0.509 40.371 40.800 0.133 0.000 0.959 700 D HN 0.500 nan 8.370 nan 0.000 0.452 701 F N 1.634 121.690 119.950 0.176 0.000 2.069 701 F HA -0.261 4.267 4.527 0.002 0.000 0.298 701 F C 2.279 178.264 175.800 0.309 0.000 1.113 701 F CA 1.343 59.523 58.000 0.299 0.000 1.214 701 F CB -0.271 38.913 39.000 0.307 0.000 0.978 701 F HN -0.191 nan 8.300 nan 0.000 0.474 702 V N 1.104 121.249 119.914 0.384 0.000 2.407 702 V HA -0.342 3.779 4.120 0.001 0.000 0.248 702 V C 2.354 178.514 176.094 0.110 0.000 1.055 702 V CA 2.207 64.664 62.300 0.261 0.000 1.049 702 V CB -1.257 30.715 31.823 0.248 0.000 0.662 702 V HN 0.445 nan 8.190 nan 0.000 0.455 703 K N 0.808 121.240 120.400 0.052 0.000 2.173 703 K HA -0.272 4.049 4.320 0.001 0.000 0.207 703 K C 2.293 178.874 176.600 -0.032 0.000 1.046 703 K CA 2.226 58.500 56.287 -0.021 0.000 0.929 703 K CB -0.193 32.290 32.500 -0.029 0.000 0.720 703 K HN 0.414 nan 8.250 nan 0.000 0.453 704 R N -1.289 119.095 120.500 -0.192 0.000 2.105 704 R HA 0.025 4.366 4.340 0.001 0.000 0.214 704 R C 0.925 176.787 176.300 -0.730 0.000 1.091 704 R CA 0.760 56.551 56.100 -0.515 0.000 1.007 704 R CB 0.174 29.919 30.300 -0.926 0.000 0.912 704 R HN 0.262 nan 8.270 nan 0.000 0.450 705 Y N -0.199 119.904 120.300 -0.327 0.000 2.507 705 Y HA 0.062 4.613 4.550 0.002 0.000 0.254 705 Y C 1.165 176.918 175.900 -0.244 0.000 1.171 705 Y CA -0.812 57.024 58.100 -0.439 0.000 1.238 705 Y CB -0.334 37.718 38.460 -0.681 0.000 1.148 705 Y HN 0.171 nan 8.280 nan 0.000 0.525 706 Y N -0.678 119.573 120.300 -0.082 0.000 2.062 706 Y HA -0.371 4.179 4.550 0.001 0.000 0.276 706 Y C 2.371 178.232 175.900 -0.065 0.000 1.189 706 Y CA 1.687 59.769 58.100 -0.030 0.000 1.130 706 Y CB -1.098 37.344 38.460 -0.031 0.000 0.959 706 Y HN 0.010 nan 8.280 nan 0.000 0.499 707 L N 1.266 121.911 121.223 -0.963 0.000 2.447 707 L HA -0.049 4.292 4.340 0.001 0.000 0.225 707 L C 2.373 179.003 176.870 -0.400 0.000 1.148 707 L CA 2.195 56.566 54.840 -0.782 0.000 0.808 707 L CB -1.719 39.799 42.059 -0.901 0.000 0.928 707 L HN 0.654 nan 8.230 nan 0.000 0.448 708 L N -0.582 120.458 121.223 -0.305 0.000 2.418 708 L HA 0.351 4.692 4.340 0.001 0.000 0.218 708 L C 1.327 178.144 176.870 -0.089 0.000 1.125 708 L CA 0.506 55.250 54.840 -0.161 0.000 0.835 708 L CB -0.297 41.703 42.059 -0.097 0.000 0.953 708 L HN 0.549 nan 8.230 nan 0.000 0.454 709 A N 0.191 122.922 122.820 -0.149 0.000 2.350 709 A HA 0.641 4.961 4.320 0.001 0.000 0.324 709 A C -2.413 174.971 177.584 -0.333 0.000 1.118 709 A CA -1.413 50.435 52.037 -0.316 0.000 0.783 709 A CB 0.695 19.658 19.000 -0.061 0.000 1.236 709 A HN -0.173 nan 8.150 nan 0.000 0.457 710 P HA 0.258 nan 4.420 nan 0.000 0.238 710 P C -0.293 176.926 177.300 -0.135 0.000 1.794 710 P CA 0.242 63.184 63.100 -0.263 0.000 1.088 710 P CB 0.040 31.595 31.700 -0.243 0.000 1.923 711 N N -0.630 118.027 118.700 -0.071 0.000 2.535 711 N HA -0.011 4.730 4.740 0.001 0.000 0.317 711 N C -0.604 174.924 175.510 0.029 0.000 0.622 711 N CA 0.032 53.074 53.050 -0.013 0.000 1.016 711 N CB 0.379 38.866 38.487 0.000 0.000 2.143 711 N HN -0.048 nan 8.380 nan 0.000 1.529 712 V N 2.966 122.914 119.914 0.057 0.000 2.475 712 V HA 0.316 4.437 4.120 0.001 0.000 0.292 712 V C -1.661 174.557 176.094 0.207 0.000 1.003 712 V CA -0.134 62.239 62.300 0.121 0.000 1.120 712 V CB -0.288 31.625 31.823 0.150 0.000 0.937 712 V HN 0.216 nan 8.190 nan 0.000 0.476 713 P HA 0.456 nan 4.420 nan 0.000 0.292 713 P C 0.855 178.060 177.300 -0.158 0.000 1.287 713 P CA 0.244 63.345 63.100 0.001 0.000 0.800 713 P CB 1.120 32.804 31.700 -0.026 0.000 0.945 714 R N 1.915 122.022 120.500 -0.656 0.000 2.136 714 R HA -0.146 4.194 4.340 0.001 0.000 0.242 714 R C 1.519 177.621 176.300 -0.330 0.000 1.131 714 R CA 3.007 58.555 56.100 -0.920 0.000 0.937 714 R CB -1.958 27.543 30.300 -1.331 0.000 0.863 714 R HN 0.743 nan 8.270 nan 0.000 0.435 715 D N 0.094 120.354 120.400 -0.233 0.000 2.973 715 D HA 0.669 5.310 4.640 0.001 0.000 0.263 715 D C 0.264 176.529 176.300 -0.059 0.000 1.266 715 D CA 0.175 54.109 54.000 -0.110 0.000 0.975 715 D CB -0.160 40.584 40.800 -0.093 0.000 1.032 715 D HN 1.062 nan 8.370 nan 0.000 0.510 716 A N 0.449 123.250 122.820 -0.031 0.000 2.407 716 A HA 0.493 4.814 4.320 0.001 0.000 0.248 716 A C 1.360 178.945 177.584 0.001 0.000 1.082 716 A CA 0.164 52.197 52.037 -0.007 0.000 0.785 716 A CB 0.384 19.393 19.000 0.016 0.000 1.020 716 A HN 0.562 nan 8.150 nan 0.000 0.489 717 E N 0.647 120.844 120.200 -0.006 0.000 2.170 717 E HA -0.029 4.321 4.350 0.001 0.000 0.191 717 E C 0.051 176.645 176.600 -0.010 0.000 0.981 717 E CA 0.747 57.144 56.400 -0.006 0.000 0.830 717 E CB 0.115 29.808 29.700 -0.011 0.000 0.775 717 E HN 0.507 nan 8.360 nan 0.000 0.470 718 D N 0.699 121.087 120.400 -0.020 0.000 2.564 718 D HA 0.177 4.818 4.640 0.001 0.000 0.226 718 D C 0.161 176.435 176.300 -0.044 0.000 1.149 718 D CA -0.103 53.870 54.000 -0.046 0.000 0.994 718 D CB 0.334 41.097 40.800 -0.061 0.000 1.029 718 D HN -0.046 nan 8.370 nan 0.000 0.517 719 S N 1.639 117.328 115.700 -0.018 0.000 2.365 719 S HA -0.239 4.232 4.470 0.001 0.000 0.225 719 S C 1.776 176.344 174.600 -0.052 0.000 1.039 719 S CA 1.164 59.389 58.200 0.042 0.000 1.033 719 S CB 0.041 63.330 63.200 0.148 0.000 0.887 719 S HN 0.582 nan 8.310 nan 0.000 0.447 720 Q N 0.370 119.953 119.800 -0.362 0.000 2.084 720 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 720 Q C 2.302 178.121 176.000 -0.300 0.000 0.978 720 Q CA 0.979 56.378 55.803 -0.673 0.000 0.844 720 Q CB -0.060 28.140 28.738 -0.896 0.000 0.898 720 Q HN 0.187 nan 8.270 nan 0.000 0.426 721 K N 0.437 120.697 120.400 -0.234 0.000 2.009 721 K HA -0.133 4.188 4.320 0.001 0.000 0.210 721 K C 1.965 178.538 176.600 -0.045 0.000 1.049 721 K CA 1.354 57.543 56.287 -0.165 0.000 0.929 721 K CB -0.539 31.890 32.500 -0.119 0.000 0.714 721 K HN 0.206 nan 8.250 nan 0.000 0.440 722 A N 0.478 123.304 122.820 0.010 0.000 1.927 722 A HA -0.219 4.101 4.320 0.001 0.000 0.220 722 A C 2.374 180.070 177.584 0.187 0.000 1.185 722 A CA 2.687 54.784 52.037 0.100 0.000 0.639 722 A CB -1.124 17.950 19.000 0.123 0.000 0.820 722 A HN 0.430 nan 8.150 nan 0.000 0.451 723 T N -0.533 114.150 114.554 0.215 0.000 2.708 723 T HA -0.145 4.206 4.350 0.001 0.000 0.266 723 T C 1.785 176.614 174.700 0.215 0.000 1.037 723 T CA 1.562 63.821 62.100 0.265 0.000 1.146 723 T CB -0.427 68.631 68.868 0.317 0.000 0.865 723 T HN 0.585 nan 8.240 nan 0.000 0.435 724 D N 1.023 121.563 120.400 0.233 0.000 2.149 724 D HA -0.062 4.579 4.640 0.001 0.000 0.198 724 D C 2.186 178.549 176.300 0.104 0.000 0.990 724 D CA 1.217 55.314 54.000 0.162 0.000 0.839 724 D CB -0.356 40.360 40.800 -0.139 0.000 0.948 724 D HN 0.357 nan 8.370 nan 0.000 0.460 725 A N 0.263 123.145 122.820 0.103 0.000 1.842 725 A HA -0.200 4.120 4.320 0.001 0.000 0.217 725 A C 2.650 180.340 177.584 0.177 0.000 1.206 725 A CA 2.552 54.659 52.037 0.118 0.000 0.630 725 A CB -1.160 17.905 19.000 0.108 0.000 0.839 725 A HN 0.166 nan 8.150 nan 0.000 0.447 726 V N -0.200 119.850 119.914 0.227 0.000 2.250 726 V HA -0.305 3.816 4.120 0.001 0.000 0.250 726 V C 2.515 178.762 176.094 0.255 0.000 1.060 726 V CA 2.141 64.607 62.300 0.277 0.000 1.030 726 V CB -1.108 30.972 31.823 0.428 0.000 0.643 726 V HN 0.481 nan 8.190 nan 0.000 0.445 727 L N -0.324 121.019 121.223 0.199 0.000 2.021 727 L HA -0.231 4.110 4.340 0.001 0.000 0.215 727 L C 2.441 179.399 176.870 0.145 0.000 1.074 727 L CA 2.038 56.955 54.840 0.128 0.000 0.760 727 L CB -1.033 40.995 42.059 -0.053 0.000 0.889 727 L HN 0.304 nan 8.230 nan 0.000 0.433 728 K N -2.081 118.403 120.400 0.140 0.000 2.057 728 K HA -0.220 4.101 4.320 0.001 0.000 0.207 728 K C 2.172 178.842 176.600 0.117 0.000 1.049 728 K CA 1.264 57.628 56.287 0.129 0.000 0.931 728 K CB -0.239 32.328 32.500 0.112 0.000 0.714 728 K HN 0.320 nan 8.250 nan 0.000 0.440 729 H N 0.846 119.965 119.070 0.082 0.000 2.289 729 H HA -0.118 4.438 4.556 0.001 0.000 0.296 729 H C 1.578 176.949 175.328 0.072 0.000 1.091 729 H CA 1.995 58.085 56.048 0.069 0.000 1.274 729 H CB -0.258 29.543 29.762 0.065 0.000 1.364 729 H HN 0.070 nan 8.280 nan 0.000 0.490 730 L N -0.104 121.141 121.223 0.037 0.000 2.191 730 L HA -0.165 4.176 4.340 0.001 0.000 0.212 730 L C 1.231 178.105 176.870 0.006 0.000 1.103 730 L CA 1.358 56.207 54.840 0.015 0.000 0.769 730 L CB -0.579 41.543 42.059 0.104 0.000 0.908 730 L HN 0.624 nan 8.230 nan 0.000 0.438 731 N N 0.269 118.994 118.700 0.040 0.000 2.780 731 N HA -0.173 4.567 4.740 0.001 0.000 0.248 731 N C -0.044 175.534 175.510 0.114 0.000 1.102 731 N CA -0.361 52.727 53.050 0.062 0.000 0.697 731 N CB -0.436 38.058 38.487 0.011 0.000 1.028 731 N HN 0.108 nan 8.380 nan 0.000 0.554 732 I N 1.234 121.911 120.570 0.179 0.000 2.836 732 I HA -0.002 4.169 4.170 0.001 0.000 0.285 732 I C 1.059 177.333 176.117 0.263 0.000 1.174 732 I CA 0.249 61.689 61.300 0.233 0.000 1.405 732 I CB 0.443 38.640 38.000 0.328 0.000 1.385 732 I HN 0.243 nan 8.210 nan 0.000 0.594 733 D N 7.823 128.318 120.400 0.158 0.000 2.358 733 D HA 0.100 4.740 4.640 0.001 0.000 0.258 733 D C -1.643 174.568 176.300 -0.148 0.000 1.223 733 D CA -1.821 52.207 54.000 0.047 0.000 0.886 733 D CB 1.227 42.036 40.800 0.016 0.000 1.120 733 D HN 0.160 nan 8.370 nan 0.000 0.482 734 P HA -0.194 nan 4.420 nan 0.000 0.217 734 P C 0.813 177.668 177.300 -0.743 0.000 1.151 734 P CA 1.240 63.877 63.100 -0.772 0.000 0.849 734 P CB 0.231 31.831 31.700 -0.167 0.000 0.787 735 E N -0.944 119.074 120.200 -0.303 0.000 2.338 735 E HA -0.149 4.202 4.350 0.001 0.000 0.197 735 E C 1.770 178.319 176.600 -0.085 0.000 1.007 735 E CA 0.594 56.909 56.400 -0.141 0.000 0.849 735 E CB -0.304 29.367 29.700 -0.049 0.000 0.774 735 E HN 0.235 nan 8.360 nan 0.000 0.506 736 Q N -0.532 119.174 119.800 -0.157 0.000 2.444 736 Q HA 0.004 4.345 4.340 0.001 0.000 0.206 736 Q C -0.402 175.783 176.000 0.309 0.000 0.948 736 Q CA 0.484 56.313 55.803 0.044 0.000 0.946 736 Q CB 0.042 28.845 28.738 0.108 0.000 1.027 736 Q HN 0.362 nan 8.270 nan 0.000 0.513 737 Y N -3.030 117.484 120.300 0.357 0.000 2.625 737 Y HA 0.804 5.354 4.550 0.001 0.000 0.338 737 Y C -0.926 174.975 175.900 0.000 0.000 1.123 737 Y CA -2.104 56.113 58.100 0.195 0.000 1.046 737 Y CB 0.897 39.279 38.460 -0.130 0.000 1.299 737 Y HN -0.313 nan 8.280 nan 0.000 0.464 738 R N 1.207 121.702 120.500 -0.008 0.000 2.533 738 R HA 0.519 4.860 4.340 0.001 0.000 0.288 738 R C -2.238 173.875 176.300 -0.312 0.000 1.039 738 R CA -1.503 54.458 56.100 -0.231 0.000 0.909 738 R CB 0.951 30.809 30.300 -0.736 0.000 1.195 738 R HN 0.727 nan 8.270 nan 0.000 0.438 739 F N 2.183 122.077 119.950 -0.093 0.000 2.462 739 F HA 0.414 4.941 4.527 0.001 0.000 0.360 739 F C 1.422 177.154 175.800 -0.114 0.000 1.134 739 F CA 0.629 58.597 58.000 -0.052 0.000 1.148 739 F CB 1.138 40.121 39.000 -0.028 0.000 1.147 739 F HN 0.564 nan 8.300 nan 0.000 0.550 740 G N 3.441 112.280 108.800 0.065 0.000 2.461 740 G HA2 0.409 4.369 3.960 0.001 0.000 0.329 740 G HA3 0.409 4.369 3.960 0.001 0.000 0.329 740 G C 0.855 175.853 174.900 0.163 0.000 1.170 740 G CA -0.736 44.316 45.100 -0.080 0.000 0.935 740 G HN 0.681 nan 8.290 nan 0.000 0.492 741 I N -0.275 120.330 120.570 0.057 0.000 2.502 741 I HA -0.171 4.000 4.170 0.001 0.000 0.258 741 I C 2.514 178.760 176.117 0.214 0.000 1.172 741 I CA 2.112 63.475 61.300 0.105 0.000 1.430 741 I CB 0.142 38.154 38.000 0.021 0.000 1.086 741 I HN 0.650 nan 8.210 nan 0.000 0.440 742 T N -4.115 110.563 114.554 0.207 0.000 3.073 742 T HA 0.251 4.602 4.350 0.001 0.000 0.264 742 T C 0.388 175.010 174.700 -0.130 0.000 0.893 742 T CA -0.477 61.742 62.100 0.198 0.000 0.863 742 T CB 0.341 69.266 68.868 0.094 0.000 1.247 742 T HN 0.021 nan 8.240 nan 0.000 0.546 743 K N 0.566 120.750 120.400 -0.359 0.000 2.444 743 K HA 0.672 4.992 4.320 0.001 0.000 0.252 743 K C -1.607 174.526 176.600 -0.778 0.000 0.993 743 K CA -1.050 54.843 56.287 -0.658 0.000 0.847 743 K CB 2.350 34.729 32.500 -0.201 0.000 1.340 743 K HN 0.057 nan 8.250 nan 0.000 0.446 744 I N 2.620 122.701 120.570 -0.814 0.000 2.321 744 I HA 0.308 4.478 4.170 0.001 0.000 0.291 744 I C -1.226 174.609 176.117 -0.470 0.000 0.998 744 I CA -0.653 60.218 61.300 -0.715 0.000 1.227 744 I CB 0.350 37.794 38.000 -0.926 0.000 1.368 744 I HN 0.492 nan 8.210 nan 0.000 0.466 745 F N 7.877 127.457 119.950 -0.617 0.000 2.420 745 F HA 0.402 4.930 4.527 0.002 0.000 0.352 745 F C -0.164 175.541 175.800 -0.159 0.000 1.108 745 F CA -0.122 57.672 58.000 -0.343 0.000 1.162 745 F CB 0.706 39.404 39.000 -0.502 0.000 1.118 745 F HN 0.204 nan 8.300 nan 0.000 0.510 746 F N 3.012 123.155 119.950 0.321 0.000 2.546 746 F HA 0.561 5.088 4.527 0.001 0.000 0.320 746 F C 0.400 176.320 175.800 0.199 0.000 1.076 746 F CA -1.179 57.006 58.000 0.308 0.000 0.928 746 F CB 1.480 40.548 39.000 0.114 0.000 1.189 746 F HN 0.257 nan 8.300 nan 0.000 0.465 747 R N 0.966 121.596 120.500 0.215 0.000 2.543 747 R HA 0.681 5.021 4.340 0.001 0.000 0.268 747 R C -0.342 175.941 176.300 -0.028 0.000 1.067 747 R CA -0.874 55.125 56.100 -0.168 0.000 1.142 747 R CB 0.897 30.987 30.300 -0.349 0.000 1.110 747 R HN 0.751 nan 8.270 nan 0.000 0.549 748 A N 0.486 123.271 122.820 -0.059 0.000 2.567 748 A HA 0.320 4.641 4.320 0.001 0.000 0.240 748 A C 1.300 178.871 177.584 -0.021 0.000 1.053 748 A CA 1.006 53.030 52.037 -0.022 0.000 0.755 748 A CB -0.563 18.451 19.000 0.022 0.000 0.978 748 A HN 0.912 nan 8.150 nan 0.000 0.507 749 G N 1.153 109.871 108.800 -0.137 0.000 2.347 749 G HA2 -0.383 3.577 3.960 0.001 0.000 0.247 749 G HA3 -0.383 3.577 3.960 0.001 0.000 0.247 749 G C 1.234 175.986 174.900 -0.245 0.000 1.037 749 G CA 1.219 46.154 45.100 -0.276 0.000 0.622 749 G HN 0.999 nan 8.290 nan 0.000 0.521 750 Q N 0.591 120.303 119.800 -0.147 0.000 2.014 750 Q HA 0.023 4.363 4.340 0.001 0.000 0.207 750 Q C 2.627 178.416 176.000 -0.352 0.000 0.993 750 Q CA 2.295 57.994 55.803 -0.174 0.000 0.850 750 Q CB -0.671 28.024 28.738 -0.072 0.000 0.916 750 Q HN 0.645 nan 8.270 nan 0.000 0.417 751 L N -0.568 120.377 121.223 -0.464 0.000 2.127 751 L HA -0.183 4.157 4.340 0.001 0.000 0.211 751 L C 2.027 178.810 176.870 -0.145 0.000 1.089 751 L CA 1.382 55.974 54.840 -0.413 0.000 0.757 751 L CB -0.637 41.313 42.059 -0.182 0.000 0.899 751 L HN 0.376 nan 8.230 nan 0.000 0.434 752 A N -0.290 122.384 122.820 -0.243 0.000 1.898 752 A HA -0.192 4.129 4.320 0.001 0.000 0.216 752 A C 2.273 179.831 177.584 -0.043 0.000 1.181 752 A CA 1.068 52.993 52.037 -0.186 0.000 0.620 752 A CB -0.397 18.151 19.000 -0.753 0.000 0.819 752 A HN 0.350 nan 8.150 nan 0.000 0.442 753 R N -0.597 119.854 120.500 -0.081 0.000 2.081 753 R HA -0.077 4.264 4.340 0.001 0.000 0.235 753 R C 2.029 178.340 176.300 0.018 0.000 1.131 753 R CA 1.546 57.654 56.100 0.014 0.000 0.960 753 R CB -0.562 29.744 30.300 0.010 0.000 0.856 753 R HN 0.558 nan 8.270 nan 0.000 0.436 754 I N 0.806 121.335 120.570 -0.068 0.000 2.118 754 I HA -0.330 3.841 4.170 0.001 0.000 0.241 754 I C 2.566 178.684 176.117 0.002 0.000 1.070 754 I CA 1.580 62.812 61.300 -0.113 0.000 1.327 754 I CB -0.268 37.543 38.000 -0.315 0.000 1.034 754 I HN 0.176 nan 8.210 nan 0.000 0.405 755 E N 1.457 121.713 120.200 0.092 0.000 2.086 755 E HA -0.290 4.061 4.350 0.001 0.000 0.200 755 E C 1.813 178.625 176.600 0.354 0.000 1.012 755 E CA 1.756 58.373 56.400 0.362 0.000 0.812 755 E CB -0.200 29.709 29.700 0.349 0.000 0.743 755 E HN 0.444 nan 8.360 nan 0.000 0.453 756 E N -0.101 120.224 120.200 0.208 0.000 2.510 756 E HA -0.006 4.345 4.350 0.001 0.000 0.202 756 E C -0.083 176.632 176.600 0.191 0.000 1.072 756 E CA 0.173 56.675 56.400 0.169 0.000 0.883 756 E CB -0.068 29.709 29.700 0.129 0.000 0.818 756 E HN 0.314 nan 8.360 nan 0.000 0.548 757 A N 1.203 124.173 122.820 0.249 0.000 2.354 757 A HA 0.538 4.859 4.320 0.001 0.000 0.269 757 A C 0.429 178.184 177.584 0.284 0.000 1.109 757 A CA -0.219 51.945 52.037 0.212 0.000 0.800 757 A CB 0.272 19.353 19.000 0.135 0.000 1.045 757 A HN 0.295 nan 8.150 nan 0.000 0.489 758 R N 1.165 121.777 120.500 0.187 0.000 2.347 758 R HA 0.548 4.888 4.340 0.001 0.000 0.304 758 R C 0.396 176.771 176.300 0.124 0.000 1.072 758 R CA 0.488 56.692 56.100 0.173 0.000 0.980 758 R CB -1.236 29.134 30.300 0.117 0.000 0.986 758 R HN 1.484 nan 8.270 nan 0.000 0.448 759 E N 0.000 120.277 120.200 0.128 0.000 2.725 759 E HA 0.000 4.351 4.350 0.001 0.000 0.291 759 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 759 E CB 0.000 29.679 29.700 -0.034 0.000 0.812 759 E HN 0.000 nan 8.360 nan 0.000 0.440