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 1ofm_1_A DATA FIRST_RESID 27 DATA SEQUENCE VVASNETLYQ VVKEVKPGGL VQIADGTYKD VQLIVSNSGK SGLPITIKAL DATA SEQUENCE NPGKVFFTGD AKVELRGEHL ILEGIWFKDG NRAIQAWKSH GPGLVAIYGS DATA SEQUENCE YNRITACVFD CFDEANSAYI TTSLTEDGKV PQHCRIDHCS FTDKITFDQV DATA SEQUENCE INLNNTARAI KDGSVGGPAM YHRVDHCFFS NPQKPGNAGG GIRIGYYRND DATA SEQUENCE IGRCLVDSNL FMRQDSEAEI ITSKSQENVY YGNTYLNCQG TMNFRHGDHQ DATA SEQUENCE VAINNFYIGN DQRFGYGGMF VWGSRHVIAC NYFELSETIK SRGNAALYLN DATA SEQUENCE PGAMASEHAL AFDMLIANNA FINVNGYAIH FNPLDERRKE YCAANRLKFE DATA SEQUENCE TPHQLMLKGN LFFKDKPYVY PFFKDDYFIA GKNSWTGNVA LGVEKGIPVN DATA SEQUENCE ISANRSAYKP VKIKDIQPIE GIALDLNALI SKGITGKPLS WDEVRPYWLK DATA SEQUENCE EMPGTYALTA RLSADRAAKF KAVIKRNKEH 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 27 V HA 0.000 nan 4.120 nan 0.000 0.244 27 V C 0.000 176.090 176.094 -0.006 0.000 1.182 27 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 27 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 28 V N 1.198 121.107 119.914 -0.009 0.000 2.735 28 V HA 1.030 5.145 4.120 -0.008 0.000 0.310 28 V C 0.398 176.522 176.094 0.051 0.000 1.061 28 V CA 0.174 62.477 62.300 0.005 0.000 0.913 28 V CB 1.977 33.789 31.823 -0.017 0.000 1.005 28 V HN 1.440 nan 8.190 nan 0.000 0.428 29 A N 2.524 125.398 122.820 0.091 0.000 2.571 29 A HA 0.775 5.090 4.320 -0.008 0.000 0.274 29 A C 0.644 178.343 177.584 0.193 0.000 1.196 29 A CA 0.465 52.604 52.037 0.170 0.000 0.957 29 A CB -0.265 18.777 19.000 0.070 0.000 1.150 29 A HN 1.718 nan 8.150 nan 0.000 0.539 30 S N -1.775 114.044 115.700 0.198 0.000 2.596 30 S HA 0.388 4.854 4.470 -0.008 0.000 0.270 30 S C 0.127 174.746 174.600 0.031 0.000 1.155 30 S CA -0.556 57.692 58.200 0.080 0.000 0.827 30 S CB 0.684 63.861 63.200 -0.039 0.000 1.130 30 S HN -0.013 nan 8.310 nan 0.000 0.467 31 N N 1.356 119.992 118.700 -0.107 0.000 2.069 31 N HA -0.093 4.643 4.740 -0.008 0.000 0.191 31 N C 1.460 176.410 175.510 -0.933 0.000 1.031 31 N CA 1.647 54.401 53.050 -0.493 0.000 0.852 31 N CB -0.547 37.685 38.487 -0.425 0.000 1.018 31 N HN 0.665 nan 8.380 nan 0.000 0.423 32 E N 0.102 120.010 120.200 -0.487 0.000 2.058 32 E HA -0.135 4.210 4.350 -0.008 0.000 0.194 32 E C 2.042 178.546 176.600 -0.160 0.000 0.997 32 E CA 1.710 57.944 56.400 -0.276 0.000 0.801 32 E CB -0.703 28.953 29.700 -0.074 0.000 0.746 32 E HN 0.635 nan 8.360 nan 0.000 0.450 33 T N -0.202 114.282 114.554 -0.118 0.000 2.867 33 T HA -0.122 4.223 4.350 -0.008 0.000 0.268 33 T C 2.045 176.719 174.700 -0.044 0.000 1.057 33 T CA 1.032 63.104 62.100 -0.047 0.000 1.136 33 T CB -0.351 68.505 68.868 -0.021 0.000 0.874 33 T HN 0.065 nan 8.240 nan 0.000 0.466 34 L N 0.138 121.293 121.223 -0.114 0.000 2.017 34 L HA 0.014 4.349 4.340 -0.008 0.000 0.208 34 L C 2.325 179.235 176.870 0.067 0.000 1.073 34 L CA 1.651 56.451 54.840 -0.067 0.000 0.745 34 L CB -1.044 40.926 42.059 -0.148 0.000 0.894 34 L HN 0.158 nan 8.230 nan 0.000 0.432 35 Y N -0.188 120.122 120.300 0.018 0.000 2.165 35 Y HA -0.262 4.283 4.550 -0.007 0.000 0.286 35 Y C 2.867 178.781 175.900 0.023 0.000 1.155 35 Y CA 1.547 59.660 58.100 0.021 0.000 1.164 35 Y CB -1.281 37.193 38.460 0.022 0.000 0.978 35 Y HN 0.385 nan 8.280 nan 0.000 0.513 36 Q N 0.310 120.215 119.800 0.175 0.000 2.046 36 Q HA -0.095 4.240 4.340 -0.008 0.000 0.200 36 Q C 2.238 178.283 176.000 0.076 0.000 0.975 36 Q CA 1.851 57.717 55.803 0.105 0.000 0.836 36 Q CB -0.578 28.202 28.738 0.070 0.000 0.896 36 Q HN 0.271 nan 8.270 nan 0.000 0.428 37 V N -0.376 119.575 119.914 0.062 0.000 2.407 37 V HA -0.191 3.924 4.120 -0.008 0.000 0.248 37 V C 2.220 178.349 176.094 0.057 0.000 1.055 37 V CA 1.460 63.788 62.300 0.047 0.000 1.049 37 V CB -0.500 31.341 31.823 0.030 0.000 0.662 37 V HN 0.229 nan 8.190 nan 0.000 0.455 38 V N -0.180 119.782 119.914 0.079 0.000 2.759 38 V HA -0.216 3.899 4.120 -0.008 0.000 0.256 38 V C 2.285 178.424 176.094 0.074 0.000 1.080 38 V CA 1.757 64.108 62.300 0.084 0.000 1.101 38 V CB -0.627 31.265 31.823 0.115 0.000 0.698 38 V HN 0.576 nan 8.190 nan 0.000 0.477 39 K N -0.320 120.124 120.400 0.072 0.000 2.365 39 K HA -0.027 4.288 4.320 -0.008 0.000 0.197 39 K C 1.744 178.371 176.600 0.046 0.000 1.042 39 K CA 0.857 57.178 56.287 0.056 0.000 0.987 39 K CB 0.076 32.609 32.500 0.055 0.000 0.779 39 K HN 0.577 nan 8.250 nan 0.000 0.484 40 E N 0.368 120.594 120.200 0.045 0.000 2.389 40 E HA 0.028 4.374 4.350 -0.008 0.000 0.199 40 E C 0.155 176.775 176.600 0.033 0.000 0.978 40 E CA -0.167 56.255 56.400 0.035 0.000 0.912 40 E CB 0.644 30.363 29.700 0.031 0.000 0.907 40 E HN -0.069 nan 8.360 nan 0.000 0.494 41 V N 2.359 122.295 119.914 0.038 0.000 2.694 41 V HA -0.059 4.057 4.120 -0.008 0.000 0.306 41 V C -0.191 175.923 176.094 0.033 0.000 1.054 41 V CA 0.596 62.917 62.300 0.034 0.000 1.161 41 V CB 0.523 32.370 31.823 0.040 0.000 0.916 41 V HN 0.063 nan 8.190 nan 0.000 0.490 42 K N 5.831 126.247 120.400 0.026 0.000 2.211 42 K HA 0.531 4.846 4.320 -0.008 0.000 0.237 42 K C -2.613 174.000 176.600 0.021 0.000 1.002 42 K CA -1.873 54.427 56.287 0.022 0.000 0.885 42 K CB 1.088 33.596 32.500 0.014 0.000 1.136 42 K HN 0.410 nan 8.250 nan 0.000 0.448 43 P HA -0.094 nan 4.420 nan 0.000 0.263 43 P C 0.403 177.703 177.300 -0.000 0.000 1.175 43 P CA 1.278 64.383 63.100 0.007 0.000 0.761 43 P CB 0.312 32.005 31.700 -0.012 0.000 0.794 44 G N 1.826 110.628 108.800 0.002 0.000 2.179 44 G HA2 -0.184 3.771 3.960 -0.008 0.000 0.260 44 G HA3 -0.184 3.771 3.960 -0.008 0.000 0.260 44 G C 0.673 175.576 174.900 0.005 0.000 0.977 44 G CA -0.151 44.948 45.100 -0.002 0.000 0.641 44 G HN 0.894 nan 8.290 nan 0.000 0.533 45 G N -0.677 108.131 108.800 0.013 0.000 2.594 45 G HA2 0.587 4.543 3.960 -0.008 0.000 0.243 45 G HA3 0.587 4.543 3.960 -0.008 0.000 0.243 45 G C -0.443 174.466 174.900 0.015 0.000 1.229 45 G CA 0.300 45.408 45.100 0.014 0.000 0.843 45 G HN 1.244 nan 8.290 nan 0.000 0.578 46 L N 1.591 122.819 121.223 0.009 0.000 2.406 46 L HA 0.562 4.897 4.340 -0.008 0.000 0.270 46 L C -0.737 176.133 176.870 0.001 0.000 0.982 46 L CA -0.722 54.120 54.840 0.004 0.000 0.843 46 L CB 2.037 44.093 42.059 -0.005 0.000 1.225 46 L HN 0.271 nan 8.230 nan 0.000 0.412 47 V N 5.247 125.162 119.914 0.002 0.000 2.370 47 V HA 0.513 4.628 4.120 -0.008 0.000 0.283 47 V C -0.173 175.906 176.094 -0.026 0.000 1.023 47 V CA -0.412 61.886 62.300 -0.004 0.000 0.857 47 V CB 1.367 33.196 31.823 0.010 0.000 0.985 47 V HN 0.772 nan 8.190 nan 0.000 0.443 48 Q N 4.440 124.218 119.800 -0.036 0.000 2.322 48 Q HA 0.594 4.929 4.340 -0.008 0.000 0.265 48 Q C -0.938 175.017 176.000 -0.076 0.000 0.985 48 Q CA -0.440 55.328 55.803 -0.059 0.000 0.849 48 Q CB 2.706 31.415 28.738 -0.049 0.000 1.274 48 Q HN 0.661 nan 8.270 nan 0.000 0.449 49 I N 2.346 122.843 120.570 -0.122 0.000 2.325 49 I HA 0.330 4.495 4.170 -0.008 0.000 0.291 49 I C 0.419 176.479 176.117 -0.095 0.000 1.019 49 I CA -0.567 60.633 61.300 -0.166 0.000 1.302 49 I CB 1.190 38.998 38.000 -0.320 0.000 1.401 49 I HN 0.622 nan 8.210 nan 0.000 0.485 50 A N 5.338 128.163 122.820 0.007 0.000 2.448 50 A HA 0.094 4.409 4.320 -0.008 0.000 0.239 50 A C -0.079 177.564 177.584 0.098 0.000 1.080 50 A CA -0.442 51.623 52.037 0.047 0.000 0.779 50 A CB 0.045 19.088 19.000 0.071 0.000 1.026 50 A HN 0.690 nan 8.150 nan 0.000 0.499 51 D N 0.215 120.633 120.400 0.029 0.000 2.525 51 D HA 0.423 5.058 4.640 -0.008 0.000 0.235 51 D C 0.668 177.018 176.300 0.083 0.000 1.137 51 D CA 2.209 56.219 54.000 0.018 0.000 0.868 51 D CB 0.467 41.258 40.800 -0.014 0.000 1.180 51 D HN 1.055 nan 8.370 nan 0.000 0.465 52 G N 0.644 109.512 108.800 0.114 0.000 2.359 52 G HA2 0.267 4.223 3.960 -0.008 0.000 0.293 52 G HA3 0.267 4.223 3.960 -0.008 0.000 0.293 52 G C -1.180 173.778 174.900 0.097 0.000 1.300 52 G CA -0.866 44.260 45.100 0.042 0.000 0.888 52 G HN 0.379 nan 8.290 nan 0.000 0.541 53 T N 0.677 115.158 114.554 -0.122 0.000 2.794 53 T HA 0.574 4.919 4.350 -0.008 0.000 0.280 53 T C -1.263 173.213 174.700 -0.373 0.000 0.987 53 T CA 0.058 62.153 62.100 -0.008 0.000 0.993 53 T CB 0.894 69.762 68.868 -0.000 0.000 0.939 53 T HN 0.374 nan 8.240 nan 0.000 0.449 54 Y N 2.443 122.800 120.300 0.095 0.000 2.854 54 Y HA 0.369 4.915 4.550 -0.008 0.000 0.330 54 Y C 0.599 176.478 175.900 -0.034 0.000 1.037 54 Y CA -0.934 57.146 58.100 -0.034 0.000 1.263 54 Y CB 0.634 39.000 38.460 -0.156 0.000 1.120 54 Y HN 0.417 nan 8.280 nan 0.000 0.532 55 K N 2.959 123.369 120.400 0.017 0.000 2.276 55 K HA 0.103 4.419 4.320 -0.008 0.000 0.283 55 K C -0.238 176.402 176.600 0.066 0.000 1.044 55 K CA 0.039 56.355 56.287 0.050 0.000 0.944 55 K CB 0.400 32.906 32.500 0.009 0.000 1.012 55 K HN 0.657 nan 8.250 nan 0.000 0.472 56 D N 0.908 121.374 120.400 0.111 0.000 2.945 56 D HA -0.175 4.460 4.640 -0.008 0.000 0.225 56 D C -0.196 176.191 176.300 0.145 0.000 1.158 56 D CA 0.611 54.692 54.000 0.136 0.000 0.805 56 D CB -1.539 39.329 40.800 0.113 0.000 1.098 56 D HN 0.292 nan 8.370 nan 0.000 0.426 57 V N 0.809 120.777 119.914 0.091 0.000 2.585 57 V HA 0.005 4.121 4.120 -0.008 0.000 0.296 57 V C 0.375 176.551 176.094 0.137 0.000 1.035 57 V CA 0.601 62.940 62.300 0.065 0.000 1.084 57 V CB 1.215 32.853 31.823 -0.308 0.000 0.953 57 V HN 0.021 nan 8.190 nan 0.000 0.483 58 Q N 6.287 126.231 119.800 0.241 0.000 2.644 58 Q HA 0.304 4.640 4.340 -0.008 0.000 0.245 58 Q C -0.847 175.166 176.000 0.022 0.000 1.064 58 Q CA -0.565 55.290 55.803 0.088 0.000 0.860 58 Q CB 1.408 30.122 28.738 -0.040 0.000 1.145 58 Q HN 0.678 nan 8.270 nan 0.000 0.515 59 L N 3.788 125.094 121.223 0.138 0.000 2.295 59 L HA 0.335 4.670 4.340 -0.008 0.000 0.288 59 L C -0.931 176.019 176.870 0.133 0.000 1.079 59 L CA 0.038 54.979 54.840 0.168 0.000 0.830 59 L CB 0.317 42.510 42.059 0.223 0.000 1.200 59 L HN 0.274 nan 8.230 nan 0.000 0.438 60 I N 6.930 127.537 120.570 0.062 0.000 2.382 60 I HA 0.291 4.456 4.170 -0.008 0.000 0.285 60 I C -0.503 175.659 176.117 0.075 0.000 1.007 60 I CA -0.530 60.806 61.300 0.061 0.000 1.142 60 I CB 1.546 39.541 38.000 -0.008 0.000 1.289 60 I HN 0.190 nan 8.210 nan 0.000 0.453 61 V N 5.912 125.890 119.914 0.105 0.000 2.313 61 V HA 0.285 4.400 4.120 -0.008 0.000 0.278 61 V C 0.960 177.108 176.094 0.090 0.000 1.017 61 V CA -0.079 62.282 62.300 0.102 0.000 0.823 61 V CB 1.137 33.033 31.823 0.122 0.000 1.010 61 V HN 0.822 nan 8.190 nan 0.000 0.443 62 S N 2.772 118.512 115.700 0.067 0.000 2.497 62 S HA 0.108 4.573 4.470 -0.008 0.000 0.218 62 S C 0.963 175.602 174.600 0.064 0.000 1.023 62 S CA -0.144 58.090 58.200 0.056 0.000 0.913 62 S CB 0.030 63.248 63.200 0.030 0.000 0.800 62 S HN 0.762 nan 8.310 nan 0.000 0.505 63 N N 2.095 120.835 118.700 0.066 0.000 2.371 63 N HA 0.269 5.004 4.740 -0.008 0.000 0.243 63 N C -0.438 175.123 175.510 0.086 0.000 1.287 63 N CA 0.450 53.540 53.050 0.067 0.000 0.911 63 N CB 0.435 38.959 38.487 0.061 0.000 1.142 63 N HN 0.037 nan 8.380 nan 0.000 0.451 64 S N -1.349 114.404 115.700 0.088 0.000 2.542 64 S HA 0.751 5.217 4.470 -0.008 0.000 0.293 64 S C 0.384 175.050 174.600 0.109 0.000 1.089 64 S CA -0.857 57.414 58.200 0.118 0.000 0.961 64 S CB 1.839 65.119 63.200 0.133 0.000 1.062 64 S HN 0.606 nan 8.310 nan 0.000 0.483 65 G N 1.288 110.177 108.800 0.148 0.000 2.543 65 G HA2 0.662 4.617 3.960 -0.008 0.000 0.267 65 G HA3 0.662 4.617 3.960 -0.008 0.000 0.267 65 G C -0.920 174.005 174.900 0.041 0.000 1.406 65 G CA -0.485 44.672 45.100 0.095 0.000 1.048 65 G HN 0.558 nan 8.290 nan 0.000 0.548 66 K N -0.986 119.323 120.400 -0.151 0.000 2.466 66 K HA 0.468 4.783 4.320 -0.008 0.000 0.260 66 K C -0.582 175.545 176.600 -0.788 0.000 1.011 66 K CA -0.613 55.430 56.287 -0.407 0.000 0.871 66 K CB 2.112 34.488 32.500 -0.207 0.000 1.404 66 K HN 0.463 nan 8.250 nan 0.000 0.450 67 S N 0.015 115.162 115.700 -0.923 0.000 2.544 67 S HA 0.219 4.684 4.470 -0.008 0.000 0.290 67 S C 1.126 175.542 174.600 -0.308 0.000 1.276 67 S CA 1.635 59.448 58.200 -0.644 0.000 1.075 67 S CB -0.455 62.514 63.200 -0.385 0.000 0.849 67 S HN 0.834 nan 8.310 nan 0.000 0.494 68 G N 3.596 112.282 108.800 -0.190 0.000 2.205 68 G HA2 -0.210 3.745 3.960 -0.008 0.000 0.261 68 G HA3 -0.210 3.745 3.960 -0.008 0.000 0.261 68 G C 0.182 175.029 174.900 -0.088 0.000 0.980 68 G CA 0.445 45.482 45.100 -0.106 0.000 0.632 68 G HN 0.806 nan 8.290 nan 0.000 0.533 69 L N 1.939 123.091 121.223 -0.119 0.000 2.625 69 L HA 0.303 4.638 4.340 -0.008 0.000 0.255 69 L C -2.054 174.789 176.870 -0.044 0.000 1.493 69 L CA -1.716 53.081 54.840 -0.072 0.000 0.796 69 L CB 1.686 43.700 42.059 -0.076 0.000 1.064 69 L HN 0.019 nan 8.230 nan 0.000 0.516 70 P HA 0.149 nan 4.420 nan 0.000 0.273 70 P C -0.327 177.010 177.300 0.061 0.000 1.250 70 P CA -0.067 63.077 63.100 0.074 0.000 0.793 70 P CB 1.642 33.406 31.700 0.106 0.000 1.011 71 I N 0.474 121.096 120.570 0.086 0.000 2.354 71 I HA 0.227 4.393 4.170 -0.008 0.000 0.292 71 I C 0.293 176.452 176.117 0.070 0.000 0.989 71 I CA -0.229 61.112 61.300 0.068 0.000 1.188 71 I CB 1.495 39.541 38.000 0.077 0.000 1.342 71 I HN 0.160 nan 8.210 nan 0.000 0.457 72 T N 7.299 121.883 114.554 0.049 0.000 2.779 72 T HA 0.597 4.942 4.350 -0.008 0.000 0.280 72 T C -0.214 174.506 174.700 0.033 0.000 0.987 72 T CA -0.311 61.816 62.100 0.044 0.000 0.966 72 T CB 1.100 69.985 68.868 0.029 0.000 0.933 72 T HN 0.265 nan 8.240 nan 0.000 0.442 73 I N 4.609 125.200 120.570 0.036 0.000 2.411 73 I HA 0.472 4.637 4.170 -0.008 0.000 0.284 73 I C -0.030 176.077 176.117 -0.016 0.000 1.012 73 I CA -0.695 60.617 61.300 0.020 0.000 1.119 73 I CB 1.068 39.102 38.000 0.057 0.000 1.261 73 I HN 0.570 nan 8.210 nan 0.000 0.448 74 K N 4.846 125.213 120.400 -0.055 0.000 2.533 74 K HA 0.877 5.192 4.320 -0.008 0.000 0.272 74 K C -1.231 175.271 176.600 -0.164 0.000 0.985 74 K CA -0.973 55.250 56.287 -0.106 0.000 0.876 74 K CB 1.839 34.302 32.500 -0.062 0.000 1.452 74 K HN 0.395 nan 8.250 nan 0.000 0.439 75 A N 1.475 124.147 122.820 -0.246 0.000 2.440 75 A HA 0.199 4.514 4.320 -0.008 0.000 0.251 75 A C 0.833 178.297 177.584 -0.201 0.000 1.089 75 A CA -0.623 51.244 52.037 -0.283 0.000 0.779 75 A CB 0.254 18.995 19.000 -0.431 0.000 1.022 75 A HN 0.784 nan 8.150 nan 0.000 0.492 76 L N 1.883 123.012 121.223 -0.157 0.000 2.083 76 L HA -0.040 4.295 4.340 -0.008 0.000 0.209 76 L C 0.139 176.936 176.870 -0.122 0.000 1.083 76 L CA 1.701 56.476 54.840 -0.108 0.000 0.752 76 L CB -0.254 41.758 42.059 -0.078 0.000 0.899 76 L HN 0.700 nan 8.230 nan 0.000 0.433 77 N N 0.190 118.785 118.700 -0.174 0.000 2.664 77 N HA 0.315 5.051 4.740 -0.008 0.000 0.257 77 N C -2.635 172.657 175.510 -0.363 0.000 1.108 77 N CA -1.400 51.534 53.050 -0.192 0.000 0.822 77 N CB 1.165 39.571 38.487 -0.136 0.000 1.199 77 N HN 0.012 nan 8.380 nan 0.000 0.529 78 P HA 0.058 nan 4.420 nan 0.000 0.262 78 P C 1.025 177.613 177.300 -1.186 0.000 1.182 78 P CA 0.954 63.384 63.100 -1.117 0.000 0.761 78 P CB 0.542 31.371 31.700 -1.451 0.000 0.795 79 G N 2.727 110.712 108.800 -1.358 0.000 2.232 79 G HA2 -0.199 3.757 3.960 -0.008 0.000 0.226 79 G HA3 -0.199 3.757 3.960 -0.008 0.000 0.226 79 G C 0.862 175.477 174.900 -0.476 0.000 0.996 79 G CA -0.231 44.505 45.100 -0.607 0.000 0.626 79 G HN 0.493 nan 8.290 nan 0.000 0.509 80 K N 0.023 120.084 120.400 -0.565 0.000 2.374 80 K HA 0.480 4.795 4.320 -0.008 0.000 0.202 80 K C 0.324 176.558 176.600 -0.610 0.000 1.040 80 K CA 0.192 56.214 56.287 -0.443 0.000 1.085 80 K CB 1.826 34.199 32.500 -0.211 0.000 0.873 80 K HN 0.340 nan 8.250 nan 0.000 0.539 81 V N 2.451 121.861 119.914 -0.841 0.000 2.384 81 V HA 0.402 4.518 4.120 -0.008 0.000 0.287 81 V C -0.930 174.661 176.094 -0.839 0.000 1.020 81 V CA -0.731 61.215 62.300 -0.589 0.000 0.850 81 V CB 0.818 32.382 31.823 -0.431 0.000 0.987 81 V HN -0.033 nan 8.190 nan 0.000 0.436 82 F N 4.704 124.701 119.950 0.078 0.000 2.467 82 F HA 0.631 5.153 4.527 -0.008 0.000 0.336 82 F C -0.389 175.617 175.800 0.343 0.000 1.123 82 F CA -0.836 57.211 58.000 0.078 0.000 0.964 82 F CB 1.510 40.501 39.000 -0.015 0.000 1.136 82 F HN 0.259 nan 8.300 nan 0.000 0.447 83 F N 2.038 121.996 119.950 0.013 0.000 2.385 83 F HA 0.561 5.083 4.527 -0.008 0.000 0.360 83 F C 0.564 176.528 175.800 0.273 0.000 1.122 83 F CA -1.142 56.866 58.000 0.013 0.000 1.090 83 F CB 1.195 39.947 39.000 -0.414 0.000 1.150 83 F HN 0.525 nan 8.300 nan 0.000 0.472 84 T N -0.338 114.475 114.554 0.432 0.000 2.716 84 T HA 0.851 5.196 4.350 -0.008 0.000 0.286 84 T C 0.304 175.155 174.700 0.252 0.000 1.052 84 T CA -0.264 62.044 62.100 0.347 0.000 1.024 84 T CB 1.382 70.349 68.868 0.165 0.000 1.349 84 T HN 1.142 nan 8.240 nan 0.000 0.525 85 G N 0.996 109.843 108.800 0.078 0.000 2.552 85 G HA2 -0.193 3.762 3.960 -0.008 0.000 0.265 85 G HA3 -0.193 3.762 3.960 -0.008 0.000 0.265 85 G C -0.329 174.655 174.900 0.141 0.000 1.234 85 G CA 0.385 45.522 45.100 0.061 0.000 0.944 85 G HN 1.136 nan 8.290 nan 0.000 0.568 86 D N 1.878 122.372 120.400 0.156 0.000 2.608 86 D HA 0.586 5.221 4.640 -0.008 0.000 0.224 86 D C 0.705 177.164 176.300 0.265 0.000 1.123 86 D CA 0.943 55.069 54.000 0.209 0.000 1.030 86 D CB -0.391 40.517 40.800 0.181 0.000 1.093 86 D HN 0.883 nan 8.370 nan 0.000 0.497 87 A N 2.823 125.851 122.820 0.347 0.000 2.269 87 A HA 0.784 5.099 4.320 -0.008 0.000 0.327 87 A C -0.205 177.565 177.584 0.309 0.000 1.112 87 A CA -0.692 51.543 52.037 0.331 0.000 0.865 87 A CB 1.149 20.398 19.000 0.415 0.000 1.227 87 A HN 0.410 nan 8.150 nan 0.000 0.498 88 K N 0.030 120.611 120.400 0.302 0.000 2.589 88 K HA 0.530 4.845 4.320 -0.008 0.000 0.265 88 K C -2.386 174.403 176.600 0.315 0.000 0.935 88 K CA -0.510 55.982 56.287 0.341 0.000 0.850 88 K CB 1.827 34.602 32.500 0.460 0.000 1.372 88 K HN 0.511 nan 8.250 nan 0.000 0.420 89 V N 2.712 122.823 119.914 0.328 0.000 2.588 89 V HA 0.455 4.570 4.120 -0.008 0.000 0.304 89 V C -1.019 175.245 176.094 0.283 0.000 1.042 89 V CA -0.663 61.830 62.300 0.322 0.000 0.877 89 V CB 1.790 33.855 31.823 0.404 0.000 0.996 89 V HN 0.810 nan 8.190 nan 0.000 0.425 90 E N 4.687 125.042 120.200 0.258 0.000 2.218 90 E HA 0.517 4.862 4.350 -0.008 0.000 0.263 90 E C -1.392 175.357 176.600 0.249 0.000 0.879 90 E CA -0.583 55.994 56.400 0.294 0.000 0.762 90 E CB 2.455 32.320 29.700 0.276 0.000 1.166 90 E HN 0.518 nan 8.360 nan 0.000 0.415 91 L N 4.129 125.504 121.223 0.254 0.000 2.297 91 L HA 0.418 4.753 4.340 -0.008 0.000 0.277 91 L C 1.193 178.202 176.870 0.232 0.000 1.040 91 L CA -0.229 54.731 54.840 0.199 0.000 0.867 91 L CB 0.494 42.647 42.059 0.157 0.000 1.244 91 L HN 0.421 nan 8.230 nan 0.000 0.433 92 R N 1.414 122.031 120.500 0.195 0.000 2.206 92 R HA 0.144 4.479 4.340 -0.008 0.000 0.198 92 R C 1.232 177.612 176.300 0.133 0.000 0.986 92 R CA 0.270 56.472 56.100 0.169 0.000 1.029 92 R CB 0.407 30.745 30.300 0.063 0.000 0.966 92 R HN 0.672 nan 8.270 nan 0.000 0.487 93 G N 0.773 109.645 108.800 0.121 0.000 2.588 93 G HA2 0.134 4.090 3.960 -0.008 0.000 0.278 93 G HA3 0.134 4.090 3.960 -0.008 0.000 0.278 93 G C -0.477 174.503 174.900 0.133 0.000 1.307 93 G CA -0.436 44.735 45.100 0.118 0.000 1.016 93 G HN 0.070 nan 8.290 nan 0.000 0.503 94 E N -1.034 119.255 120.200 0.149 0.000 2.249 94 E HA 0.307 4.653 4.350 -0.008 0.000 0.263 94 E C -0.578 176.135 176.600 0.187 0.000 0.950 94 E CA -0.938 55.548 56.400 0.144 0.000 0.827 94 E CB 1.134 30.946 29.700 0.185 0.000 1.220 94 E HN 0.572 nan 8.360 nan 0.000 0.411 95 H N -0.080 119.111 119.070 0.202 0.000 2.748 95 H HA -0.172 4.380 4.556 -0.008 0.000 0.322 95 H C -0.872 174.522 175.328 0.111 0.000 1.208 95 H CA 0.512 56.646 56.048 0.143 0.000 1.151 95 H CB -1.738 28.066 29.762 0.071 0.000 1.505 95 H HN 0.328 nan 8.280 nan 0.000 0.429 96 L N 0.824 122.153 121.223 0.177 0.000 2.333 96 L HA 0.651 4.986 4.340 -0.008 0.000 0.269 96 L C 0.695 177.643 176.870 0.130 0.000 1.010 96 L CA -0.801 54.125 54.840 0.143 0.000 0.818 96 L CB 2.286 44.424 42.059 0.132 0.000 1.306 96 L HN 0.038 nan 8.230 nan 0.000 0.430 97 I N 3.015 123.653 120.570 0.113 0.000 2.499 97 I HA 0.328 4.494 4.170 -0.008 0.000 0.288 97 I C -1.180 174.993 176.117 0.093 0.000 1.048 97 I CA -0.549 60.814 61.300 0.105 0.000 1.062 97 I CB 2.451 40.507 38.000 0.093 0.000 1.238 97 I HN 0.302 nan 8.210 nan 0.000 0.426 98 L N 7.142 128.426 121.223 0.102 0.000 2.305 98 L HA 0.561 4.896 4.340 -0.008 0.000 0.284 98 L C -0.567 176.345 176.870 0.070 0.000 1.013 98 L CA 0.209 55.102 54.840 0.088 0.000 0.819 98 L CB 1.273 43.411 42.059 0.132 0.000 1.227 98 L HN 0.663 nan 8.230 nan 0.000 0.417 99 E N 3.644 123.854 120.200 0.016 0.000 2.314 99 E HA 0.549 4.895 4.350 -0.008 0.000 0.272 99 E C 0.247 176.791 176.600 -0.094 0.000 0.884 99 E CA -0.267 56.143 56.400 0.017 0.000 0.753 99 E CB 1.637 31.378 29.700 0.069 0.000 1.213 99 E HN 0.898 nan 8.360 nan 0.000 0.432 100 G N 4.157 112.909 108.800 -0.081 0.000 2.221 100 G HA2 -0.190 3.765 3.960 -0.008 0.000 0.265 100 G HA3 -0.190 3.765 3.960 -0.008 0.000 0.265 100 G C -0.098 174.501 174.900 -0.501 0.000 1.041 100 G CA 0.365 45.274 45.100 -0.318 0.000 0.807 100 G HN 0.361 nan 8.290 nan 0.000 0.502 101 I N -0.456 119.868 120.570 -0.409 0.000 2.392 101 I HA 0.455 4.620 4.170 -0.008 0.000 0.295 101 I C 0.088 175.916 176.117 -0.483 0.000 0.985 101 I CA -1.732 59.152 61.300 -0.693 0.000 1.221 101 I CB 1.422 38.766 38.000 -1.094 0.000 1.366 101 I HN 0.228 nan 8.210 nan 0.000 0.467 102 W N 7.416 128.320 121.300 -0.660 0.000 2.361 102 W HA 0.437 5.092 4.660 -0.008 0.000 0.314 102 W C -1.754 174.596 176.519 -0.281 0.000 1.041 102 W CA -1.230 55.954 57.345 -0.269 0.000 1.241 102 W CB 1.222 30.655 29.460 -0.045 0.000 1.279 102 W HN 0.208 nan 8.180 nan 0.000 0.436 103 F N 6.561 126.546 119.950 0.057 0.000 2.391 103 F HA 0.344 4.867 4.527 -0.008 0.000 0.359 103 F C 0.506 176.644 175.800 0.564 0.000 1.122 103 F CA -0.195 57.911 58.000 0.176 0.000 1.120 103 F CB 0.872 39.627 39.000 -0.408 0.000 1.142 103 F HN 0.229 nan 8.300 nan 0.000 0.483 104 K N 0.271 121.161 120.400 0.817 0.000 2.571 104 K HA 0.452 4.767 4.320 -0.008 0.000 0.289 104 K C -1.310 175.382 176.600 0.152 0.000 1.028 104 K CA -1.056 55.543 56.287 0.520 0.000 0.895 104 K CB 1.264 34.030 32.500 0.442 0.000 1.534 104 K HN 0.223 nan 8.250 nan 0.000 0.421 105 D N -0.158 120.214 120.400 -0.046 0.000 2.686 105 D HA -0.136 4.499 4.640 -0.008 0.000 0.235 105 D C 0.159 176.254 176.300 -0.341 0.000 1.160 105 D CA 1.704 55.608 54.000 -0.159 0.000 0.645 105 D CB -1.392 39.352 40.800 -0.093 0.000 1.039 105 D HN 0.790 nan 8.370 nan 0.000 0.423 106 G N -0.075 108.217 108.800 -0.846 0.000 2.562 106 G HA2 0.400 4.356 3.960 -0.008 0.000 0.275 106 G HA3 0.400 4.356 3.960 -0.008 0.000 0.275 106 G C 0.562 175.175 174.900 -0.477 0.000 1.196 106 G CA -0.251 44.122 45.100 -1.212 0.000 0.908 106 G HN 0.228 nan 8.290 nan 0.000 0.524 107 N N -1.400 117.155 118.700 -0.242 0.000 2.528 107 N HA 0.023 4.759 4.740 -0.008 0.000 0.266 107 N C 0.082 175.613 175.510 0.036 0.000 1.528 107 N CA -0.421 52.588 53.050 -0.068 0.000 0.959 107 N CB 0.228 38.696 38.487 -0.033 0.000 1.430 107 N HN 0.469 nan 8.380 nan 0.000 0.511 108 R N 0.330 120.859 120.500 0.049 0.000 2.738 108 R HA 0.483 4.818 4.340 -0.008 0.000 0.268 108 R C 0.215 176.617 176.300 0.170 0.000 1.062 108 R CA 0.141 56.309 56.100 0.112 0.000 1.158 108 R CB 0.495 30.695 30.300 -0.165 0.000 1.046 108 R HN 0.287 nan 8.270 nan 0.000 0.493 109 A N 3.067 126.067 122.820 0.301 0.000 2.451 109 A HA 0.098 4.413 4.320 -0.008 0.000 0.266 109 A C 1.518 179.290 177.584 0.312 0.000 1.119 109 A CA -0.292 51.906 52.037 0.267 0.000 0.786 109 A CB -0.428 18.721 19.000 0.249 0.000 1.061 109 A HN 0.921 nan 8.150 nan 0.000 0.503 110 I N 1.085 121.784 120.570 0.214 0.000 2.454 110 I HA -0.241 3.924 4.170 -0.008 0.000 0.254 110 I C 1.911 178.153 176.117 0.210 0.000 1.156 110 I CA 1.592 63.020 61.300 0.213 0.000 1.433 110 I CB -0.296 37.798 38.000 0.156 0.000 1.082 110 I HN 0.756 nan 8.210 nan 0.000 0.432 111 Q N 2.053 121.956 119.800 0.172 0.000 2.444 111 Q HA 0.154 4.489 4.340 -0.008 0.000 0.206 111 Q C 1.569 177.642 176.000 0.122 0.000 0.948 111 Q CA 1.075 56.954 55.803 0.127 0.000 0.946 111 Q CB 0.233 29.024 28.738 0.088 0.000 1.027 111 Q HN 0.623 nan 8.270 nan 0.000 0.513 112 A N -0.633 122.299 122.820 0.187 0.000 2.431 112 A HA 0.366 4.681 4.320 -0.008 0.000 0.239 112 A C -0.588 176.927 177.584 -0.116 0.000 1.230 112 A CA -0.460 51.612 52.037 0.057 0.000 0.928 112 A CB 0.197 19.238 19.000 0.068 0.000 1.006 112 A HN 0.296 nan 8.150 nan 0.000 0.520 113 W N 0.519 121.879 121.300 0.099 0.000 2.844 113 W HA 0.594 5.250 4.660 -0.007 0.000 0.340 113 W C -0.118 176.461 176.519 0.101 0.000 1.093 113 W CA -0.572 56.838 57.345 0.109 0.000 1.212 113 W CB 1.348 30.889 29.460 0.135 0.000 1.422 113 W HN 0.145 nan 8.180 nan 0.000 0.515 114 K N 0.100 120.673 120.400 0.288 0.000 2.477 114 K HA 0.798 5.113 4.320 -0.008 0.000 0.255 114 K C -0.527 176.197 176.600 0.206 0.000 0.952 114 K CA -0.923 55.490 56.287 0.210 0.000 0.826 114 K CB 1.865 34.450 32.500 0.142 0.000 1.331 114 K HN 0.207 nan 8.250 nan 0.000 0.437 115 S N 1.796 117.596 115.700 0.167 0.000 2.572 115 S HA 0.070 4.535 4.470 -0.008 0.000 0.279 115 S C 0.047 174.730 174.600 0.138 0.000 1.341 115 S CA -0.091 58.150 58.200 0.069 0.000 1.043 115 S CB -0.248 62.961 63.200 0.015 0.000 0.887 115 S HN 0.898 nan 8.310 nan 0.000 0.516 116 H N -1.717 117.417 119.070 0.108 0.000 3.428 116 H HA -0.144 4.408 4.556 -0.007 0.000 0.204 116 H C 0.716 176.111 175.328 0.111 0.000 1.078 116 H CA 0.856 56.981 56.048 0.128 0.000 1.183 116 H CB -1.626 28.216 29.762 0.133 0.000 1.132 116 H HN 0.711 nan 8.280 nan 0.000 0.323 117 G N 0.801 109.710 108.800 0.182 0.000 2.795 117 G HA2 0.559 4.515 3.960 -0.008 0.000 0.267 117 G HA3 0.559 4.515 3.960 -0.008 0.000 0.267 117 G C -2.197 172.782 174.900 0.131 0.000 1.362 117 G CA -0.756 44.432 45.100 0.146 0.000 1.048 117 G HN 0.019 nan 8.290 nan 0.000 0.547 118 P HA 0.247 nan 4.420 nan 0.000 0.272 118 P C 0.315 177.772 177.300 0.262 0.000 1.223 118 P CA 0.048 63.229 63.100 0.134 0.000 0.784 118 P CB 1.056 32.859 31.700 0.172 0.000 0.923 119 G N 0.942 109.829 108.800 0.145 0.000 2.580 119 G HA2 0.191 4.146 3.960 -0.008 0.000 0.278 119 G HA3 0.191 4.146 3.960 -0.008 0.000 0.278 119 G C 0.837 175.856 174.900 0.199 0.000 1.212 119 G CA -0.625 44.554 45.100 0.132 0.000 0.939 119 G HN 0.521 nan 8.290 nan 0.000 0.513 120 L N 0.022 121.248 121.223 0.005 0.000 2.043 120 L HA -0.003 4.332 4.340 -0.008 0.000 0.212 120 L C 1.048 177.915 176.870 -0.004 0.000 1.075 120 L CA 1.617 56.365 54.840 -0.153 0.000 0.752 120 L CB -0.265 41.572 42.059 -0.371 0.000 0.891 120 L HN 0.154 nan 8.230 nan 0.000 0.432 121 V N 1.060 120.955 119.914 -0.033 0.000 2.370 121 V HA 0.697 4.812 4.120 -0.008 0.000 0.283 121 V C 0.052 176.167 176.094 0.035 0.000 1.023 121 V CA -0.197 62.135 62.300 0.053 0.000 0.857 121 V CB 0.712 32.566 31.823 0.053 0.000 0.985 121 V HN 0.363 nan 8.190 nan 0.000 0.443 122 A N 6.757 129.623 122.820 0.076 0.000 2.304 122 A HA 0.824 5.139 4.320 -0.008 0.000 0.314 122 A C -0.597 176.910 177.584 -0.128 0.000 1.187 122 A CA -0.493 51.493 52.037 -0.084 0.000 0.810 122 A CB 0.575 19.537 19.000 -0.065 0.000 1.183 122 A HN 0.786 nan 8.150 nan 0.000 0.487 123 I N 3.130 123.565 120.570 -0.226 0.000 2.306 123 I HA 0.209 4.375 4.170 -0.008 0.000 0.288 123 I C -0.330 175.665 176.117 -0.203 0.000 1.036 123 I CA -0.046 61.183 61.300 -0.119 0.000 1.221 123 I CB 0.725 38.664 38.000 -0.100 0.000 1.385 123 I HN 0.828 nan 8.210 nan 0.000 0.472 124 Y N 4.282 124.604 120.300 0.037 0.000 2.497 124 Y HA 0.293 4.838 4.550 -0.009 0.000 0.265 124 Y C 1.572 177.496 175.900 0.039 0.000 1.111 124 Y CA -0.248 57.874 58.100 0.037 0.000 1.288 124 Y CB 0.556 39.041 38.460 0.043 0.000 1.082 124 Y HN 0.546 nan 8.280 nan 0.000 0.536 125 G N -0.574 108.331 108.800 0.176 0.000 2.471 125 G HA2 0.469 4.424 3.960 -0.008 0.000 0.332 125 G HA3 0.469 4.424 3.960 -0.008 0.000 0.332 125 G C -0.498 174.441 174.900 0.065 0.000 1.176 125 G CA -0.523 44.652 45.100 0.125 0.000 0.949 125 G HN 0.003 nan 8.290 nan 0.000 0.488 126 S N -1.113 114.609 115.700 0.035 0.000 2.645 126 S HA 0.369 4.835 4.470 -0.008 0.000 0.266 126 S C -0.524 174.014 174.600 -0.104 0.000 1.258 126 S CA -0.142 57.986 58.200 -0.121 0.000 0.990 126 S CB 0.197 63.209 63.200 -0.313 0.000 0.967 126 S HN 0.617 nan 8.310 nan 0.000 0.556 127 Y N -0.699 119.593 120.300 -0.014 0.000 3.305 127 Y HA -0.212 4.333 4.550 -0.008 0.000 0.212 127 Y C 0.090 175.939 175.900 -0.084 0.000 1.248 127 Y CA -0.073 57.950 58.100 -0.129 0.000 1.359 127 Y CB -2.386 35.707 38.460 -0.611 0.000 1.407 127 Y HN 0.403 nan 8.280 nan 0.000 0.572 128 N N 1.090 119.837 118.700 0.078 0.000 2.384 128 N HA 0.662 5.398 4.740 -0.008 0.000 0.301 128 N C -0.342 175.226 175.510 0.096 0.000 1.133 128 N CA -0.936 52.169 53.050 0.091 0.000 0.853 128 N CB 1.940 40.471 38.487 0.073 0.000 1.241 128 N HN 0.390 nan 8.380 nan 0.000 0.502 129 R N 1.272 121.838 120.500 0.110 0.000 2.621 129 R HA 0.553 4.888 4.340 -0.008 0.000 0.284 129 R C -1.426 174.946 176.300 0.120 0.000 0.998 129 R CA -0.593 55.576 56.100 0.116 0.000 0.895 129 R CB 1.396 31.773 30.300 0.129 0.000 1.195 129 R HN 0.658 nan 8.270 nan 0.000 0.450 130 I N 3.198 123.846 120.570 0.129 0.000 2.418 130 I HA 0.407 4.572 4.170 -0.008 0.000 0.287 130 I C -1.405 174.810 176.117 0.164 0.000 1.008 130 I CA -0.148 61.244 61.300 0.154 0.000 1.104 130 I CB 2.024 40.133 38.000 0.181 0.000 1.264 130 I HN 0.692 nan 8.210 nan 0.000 0.438 131 T N 4.876 119.524 114.554 0.157 0.000 2.903 131 T HA 0.611 4.956 4.350 -0.008 0.000 0.299 131 T C -0.007 174.786 174.700 0.156 0.000 1.093 131 T CA 0.255 62.456 62.100 0.168 0.000 1.002 131 T CB 1.498 70.473 68.868 0.177 0.000 1.127 131 T HN 1.388 nan 8.240 nan 0.000 0.488 132 A N 1.578 124.482 122.820 0.140 0.000 2.687 132 A HA -0.119 4.196 4.320 -0.008 0.000 0.299 132 A C 0.473 178.163 177.584 0.177 0.000 1.497 132 A CA 0.800 52.895 52.037 0.096 0.000 0.751 132 A CB -2.662 16.415 19.000 0.129 0.000 1.048 132 A HN 0.912 nan 8.150 nan 0.000 0.464 133 C N -0.938 118.397 119.300 0.058 0.000 2.529 133 C HA 0.735 5.190 4.460 -0.008 0.000 0.329 133 C C 0.611 175.498 174.990 -0.173 0.000 1.194 133 C CA -0.521 58.498 59.018 0.003 0.000 1.779 133 C CB 1.790 29.548 27.740 0.030 0.000 2.322 133 C HN 0.679 nan 8.230 nan 0.000 0.500 134 V N 2.170 121.903 119.914 -0.303 0.000 2.495 134 V HA 0.542 4.658 4.120 -0.008 0.000 0.298 134 V C -1.052 174.731 176.094 -0.518 0.000 1.031 134 V CA -0.239 61.759 62.300 -0.503 0.000 0.871 134 V CB 1.297 32.535 31.823 -0.974 0.000 0.988 134 V HN 0.717 nan 8.190 nan 0.000 0.432 135 F N 2.806 122.589 119.950 -0.278 0.000 2.496 135 F HA 0.534 5.056 4.527 -0.008 0.000 0.341 135 F C -0.233 175.532 175.800 -0.059 0.000 1.134 135 F CA -0.693 57.196 58.000 -0.185 0.000 0.968 135 F CB 1.682 40.518 39.000 -0.274 0.000 1.205 135 F HN 0.438 nan 8.300 nan 0.000 0.436 136 D N 2.594 123.108 120.400 0.189 0.000 2.473 136 D HA 0.174 4.809 4.640 -0.008 0.000 0.253 136 D C -0.282 176.192 176.300 0.291 0.000 1.233 136 D CA -0.269 53.875 54.000 0.240 0.000 0.908 136 D CB 1.215 42.146 40.800 0.219 0.000 1.170 136 D HN 0.708 nan 8.370 nan 0.000 0.558 137 C N 5.550 125.030 119.300 0.300 0.000 3.563 137 C HA -0.253 4.202 4.460 -0.008 0.000 0.284 137 C C 1.497 176.640 174.990 0.254 0.000 1.356 137 C CA 0.125 59.293 59.018 0.251 0.000 2.166 137 C CB -2.505 25.317 27.740 0.137 0.000 1.399 137 C HN 0.744 nan 8.230 nan 0.000 0.583 138 F N 2.358 122.410 119.950 0.169 0.000 2.026 138 F HA 0.090 4.612 4.527 -0.008 0.000 0.296 138 F C 1.432 177.299 175.800 0.112 0.000 1.133 138 F CA 2.927 60.985 58.000 0.097 0.000 1.188 138 F CB 0.127 39.097 39.000 -0.051 0.000 0.968 138 F HN 0.788 nan 8.300 nan 0.000 0.476 139 D N -2.730 117.728 120.400 0.096 0.000 3.145 139 D HA 0.112 4.747 4.640 -0.008 0.000 0.345 139 D C -0.332 176.027 176.300 0.098 0.000 1.391 139 D CA -0.420 53.558 54.000 -0.036 0.000 0.930 139 D CB 0.017 40.709 40.800 -0.181 0.000 1.451 139 D HN 0.131 nan 8.370 nan 0.000 0.555 140 E N -0.819 119.430 120.200 0.081 0.000 2.501 140 E HA 0.457 4.802 4.350 -0.008 0.000 0.201 140 E C -0.302 176.387 176.600 0.149 0.000 1.016 140 E CA -0.316 56.157 56.400 0.123 0.000 0.920 140 E CB 1.005 30.770 29.700 0.108 0.000 1.023 140 E HN 0.466 nan 8.360 nan 0.000 0.474 141 A N 1.709 124.608 122.820 0.131 0.000 2.320 141 A HA 0.240 4.555 4.320 -0.008 0.000 0.287 141 A C -0.130 177.566 177.584 0.186 0.000 1.181 141 A CA -0.658 51.469 52.037 0.150 0.000 0.831 141 A CB 0.285 19.294 19.000 0.016 0.000 1.102 141 A HN 0.061 nan 8.150 nan 0.000 0.513 142 N N 1.940 120.792 118.700 0.253 0.000 2.452 142 N HA 0.399 5.134 4.740 -0.008 0.000 0.266 142 N C -0.050 175.616 175.510 0.259 0.000 1.175 142 N CA 0.809 54.014 53.050 0.258 0.000 0.945 142 N CB 0.891 39.554 38.487 0.294 0.000 1.063 142 N HN 0.929 nan 8.380 nan 0.000 0.472 143 S N -0.107 115.700 115.700 0.178 0.000 2.707 143 S HA 0.542 5.007 4.470 -0.008 0.000 0.270 143 S C -1.088 173.536 174.600 0.039 0.000 1.031 143 S CA -1.038 57.263 58.200 0.168 0.000 0.866 143 S CB 0.257 63.643 63.200 0.310 0.000 1.114 143 S HN 0.568 nan 8.310 nan 0.000 0.465 144 A N 0.400 123.219 122.820 -0.003 0.000 2.296 144 A HA 0.687 5.002 4.320 -0.008 0.000 0.264 144 A C 0.353 177.918 177.584 -0.032 0.000 1.097 144 A CA -0.360 51.605 52.037 -0.121 0.000 0.811 144 A CB -0.324 18.588 19.000 -0.148 0.000 1.072 144 A HN 0.965 nan 8.150 nan 0.000 0.495 145 Y N -0.500 119.611 120.300 -0.316 0.000 2.314 145 Y HA 0.280 4.825 4.550 -0.008 0.000 0.294 145 Y C 0.636 176.208 175.900 -0.547 0.000 1.119 145 Y CA 0.457 58.274 58.100 -0.472 0.000 1.179 145 Y CB -0.080 37.992 38.460 -0.646 0.000 1.025 145 Y HN 0.337 nan 8.280 nan 0.000 0.541 146 I N 0.056 120.435 120.570 -0.319 0.000 2.619 146 I HA 0.348 4.513 4.170 -0.008 0.000 0.292 146 I C -0.621 175.378 176.117 -0.196 0.000 1.100 146 I CA -0.690 60.460 61.300 -0.250 0.000 1.043 146 I CB 2.449 40.304 38.000 -0.241 0.000 1.239 146 I HN -0.160 nan 8.210 nan 0.000 0.420 147 T N 0.005 114.464 114.554 -0.159 0.000 2.896 147 T HA 0.632 4.977 4.350 -0.008 0.000 0.297 147 T C -0.443 174.127 174.700 -0.215 0.000 1.108 147 T CA -0.803 61.192 62.100 -0.175 0.000 1.004 147 T CB 1.884 70.664 68.868 -0.146 0.000 1.159 147 T HN 0.596 nan 8.240 nan 0.000 0.499 148 T N -0.041 114.376 114.554 -0.229 0.000 2.767 148 T HA 0.705 5.051 4.350 -0.008 0.000 0.284 148 T C -0.315 174.255 174.700 -0.216 0.000 0.973 148 T CA -0.682 61.269 62.100 -0.249 0.000 0.996 148 T CB 0.954 69.640 68.868 -0.304 0.000 0.927 148 T HN 0.622 nan 8.240 nan 0.000 0.456 149 S N 2.377 117.889 115.700 -0.313 0.000 2.542 149 S HA 0.609 5.075 4.470 -0.008 0.000 0.293 149 S C -0.472 174.082 174.600 -0.077 0.000 1.089 149 S CA -0.845 57.187 58.200 -0.280 0.000 0.961 149 S CB 0.989 63.837 63.200 -0.588 0.000 1.062 149 S HN 0.602 nan 8.310 nan 0.000 0.483 150 L N 2.879 124.139 121.223 0.062 0.000 2.397 150 L HA 0.322 4.657 4.340 -0.008 0.000 0.271 150 L C 1.278 178.313 176.870 0.276 0.000 1.148 150 L CA 0.191 55.118 54.840 0.145 0.000 0.825 150 L CB 0.313 42.436 42.059 0.107 0.000 1.117 150 L HN 0.818 nan 8.230 nan 0.000 0.456 151 T N -1.484 113.219 114.554 0.248 0.000 2.788 151 T HA 0.159 4.505 4.350 -0.008 0.000 0.287 151 T C 1.002 175.759 174.700 0.094 0.000 1.007 151 T CA -0.677 61.526 62.100 0.172 0.000 1.005 151 T CB 0.516 69.437 68.868 0.089 0.000 1.012 151 T HN 0.617 nan 8.240 nan 0.000 0.530 152 E N 0.784 121.005 120.200 0.036 0.000 2.209 152 E HA -0.166 4.179 4.350 -0.008 0.000 0.196 152 E C 1.307 177.925 176.600 0.029 0.000 0.993 152 E CA 1.320 57.736 56.400 0.027 0.000 0.819 152 E CB -0.089 29.610 29.700 -0.002 0.000 0.745 152 E HN 0.784 nan 8.360 nan 0.000 0.477 153 D N -0.906 119.512 120.400 0.029 0.000 2.328 153 D HA 0.013 4.648 4.640 -0.008 0.000 0.226 153 D C 1.180 177.503 176.300 0.038 0.000 1.066 153 D CA 0.695 54.712 54.000 0.029 0.000 0.861 153 D CB 0.160 40.975 40.800 0.024 0.000 0.912 153 D HN 0.196 nan 8.370 nan 0.000 0.521 154 G N 0.480 109.310 108.800 0.051 0.000 2.159 154 G HA2 -0.316 3.639 3.960 -0.008 0.000 0.256 154 G HA3 -0.316 3.639 3.960 -0.008 0.000 0.256 154 G C 0.104 175.040 174.900 0.059 0.000 0.977 154 G CA 0.053 45.186 45.100 0.055 0.000 0.652 154 G HN 0.449 nan 8.290 nan 0.000 0.531 155 K N 0.303 120.743 120.400 0.067 0.000 2.368 155 K HA 0.440 4.756 4.320 -0.008 0.000 0.282 155 K C 0.260 176.905 176.600 0.075 0.000 1.035 155 K CA -0.283 56.045 56.287 0.068 0.000 0.973 155 K CB 1.788 34.332 32.500 0.073 0.000 0.957 155 K HN 0.050 nan 8.250 nan 0.000 0.474 156 V N 5.715 125.662 119.914 0.056 0.000 2.370 156 V HA 0.185 4.300 4.120 -0.008 0.000 0.279 156 V C -2.093 174.025 176.094 0.041 0.000 1.029 156 V CA -2.137 60.190 62.300 0.044 0.000 0.870 156 V CB 1.087 32.919 31.823 0.015 0.000 0.984 156 V HN 0.664 nan 8.190 nan 0.000 0.451 157 P HA 0.306 nan 4.420 nan 0.000 0.271 157 P C -0.646 176.706 177.300 0.087 0.000 1.216 157 P CA -0.082 63.060 63.100 0.071 0.000 0.776 157 P CB 0.523 32.263 31.700 0.067 0.000 0.881 158 Q N 0.153 119.943 119.800 -0.016 0.000 2.544 158 Q HA 0.331 4.666 4.340 -0.008 0.000 0.291 158 Q C -0.489 175.394 176.000 -0.195 0.000 1.068 158 Q CA -0.814 54.854 55.803 -0.224 0.000 0.785 158 Q CB 1.411 29.965 28.738 -0.308 0.000 1.481 158 Q HN 0.513 nan 8.270 nan 0.000 0.430 159 H N -1.852 117.142 119.070 -0.126 0.000 2.741 159 H HA -0.175 4.377 4.556 -0.008 0.000 0.305 159 H C -0.741 174.628 175.328 0.068 0.000 1.169 159 H CA 0.385 56.401 56.048 -0.054 0.000 1.144 159 H CB -1.958 27.624 29.762 -0.300 0.000 1.397 159 H HN 0.492 nan 8.280 nan 0.000 0.409 160 C N 0.315 119.854 119.300 0.398 0.000 2.325 160 C HA 0.706 5.161 4.460 -0.008 0.000 0.370 160 C C 1.215 176.300 174.990 0.159 0.000 1.217 160 C CA -0.688 58.433 59.018 0.173 0.000 2.254 160 C CB 2.150 29.849 27.740 -0.069 0.000 2.282 160 C HN 0.575 nan 8.230 nan 0.000 0.564 161 R N 0.844 121.407 120.500 0.105 0.000 2.621 161 R HA 0.731 5.066 4.340 -0.008 0.000 0.284 161 R C -1.952 174.409 176.300 0.101 0.000 0.998 161 R CA -0.410 55.761 56.100 0.119 0.000 0.895 161 R CB 0.917 31.305 30.300 0.148 0.000 1.195 161 R HN 0.794 nan 8.270 nan 0.000 0.450 162 I N 5.202 125.837 120.570 0.109 0.000 2.410 162 I HA 0.319 4.485 4.170 -0.008 0.000 0.286 162 I C -0.950 175.260 176.117 0.156 0.000 1.009 162 I CA -0.555 60.826 61.300 0.135 0.000 1.111 162 I CB 1.679 39.756 38.000 0.128 0.000 1.262 162 I HN 0.670 nan 8.210 nan 0.000 0.443 163 D N 4.051 124.550 120.400 0.165 0.000 2.602 163 D HA 0.254 4.889 4.640 -0.008 0.000 0.236 163 D C -0.297 176.093 176.300 0.150 0.000 1.209 163 D CA -0.724 53.364 54.000 0.147 0.000 0.831 163 D CB 1.201 42.148 40.800 0.245 0.000 1.478 163 D HN 0.625 nan 8.370 nan 0.000 0.438 164 H N -1.887 117.209 119.070 0.044 0.000 2.741 164 H HA -0.157 4.394 4.556 -0.008 0.000 0.305 164 H C -0.558 174.671 175.328 -0.165 0.000 1.169 164 H CA 0.797 56.802 56.048 -0.071 0.000 1.144 164 H CB -1.793 27.926 29.762 -0.073 0.000 1.397 164 H HN 0.436 nan 8.280 nan 0.000 0.409 165 C N -0.207 118.995 119.300 -0.163 0.000 2.454 165 C HA 0.699 5.154 4.460 -0.008 0.000 0.336 165 C C 0.776 175.383 174.990 -0.638 0.000 1.189 165 C CA -0.416 58.375 59.018 -0.378 0.000 1.877 165 C CB 1.934 29.423 27.740 -0.418 0.000 2.348 165 C HN 0.652 nan 8.230 nan 0.000 0.508 166 S N 1.031 116.343 115.700 -0.646 0.000 2.478 166 S HA 0.789 5.255 4.470 -0.008 0.000 0.312 166 S C -1.384 172.863 174.600 -0.588 0.000 1.094 166 S CA -0.386 57.567 58.200 -0.411 0.000 1.081 166 S CB 0.154 63.300 63.200 -0.091 0.000 1.007 166 S HN 0.468 nan 8.310 nan 0.000 0.475 167 F N 3.140 123.041 119.950 -0.081 0.000 2.434 167 F HA 0.425 4.948 4.527 -0.007 0.000 0.355 167 F C 0.615 176.432 175.800 0.029 0.000 1.115 167 F CA -0.594 57.402 58.000 -0.007 0.000 1.010 167 F CB 1.808 40.678 39.000 -0.216 0.000 1.234 167 F HN 0.529 nan 8.300 nan 0.000 0.439 168 T N -1.767 112.950 114.554 0.272 0.000 2.906 168 T HA 0.457 4.802 4.350 -0.008 0.000 0.295 168 T C -0.548 174.254 174.700 0.171 0.000 1.061 168 T CA -0.960 61.248 62.100 0.181 0.000 1.000 168 T CB 1.889 70.852 68.868 0.159 0.000 1.103 168 T HN 0.390 nan 8.240 nan 0.000 0.486 169 D N -0.093 120.338 120.400 0.052 0.000 2.708 169 D HA -0.146 4.489 4.640 -0.008 0.000 0.236 169 D C -0.080 176.183 176.300 -0.062 0.000 1.146 169 D CA 1.036 55.005 54.000 -0.050 0.000 0.662 169 D CB -0.787 40.028 40.800 0.025 0.000 1.059 169 D HN 0.813 nan 8.370 nan 0.000 0.428 170 K N 1.080 121.426 120.400 -0.089 0.000 2.383 170 K HA 0.215 4.530 4.320 -0.008 0.000 0.286 170 K C 1.491 177.911 176.600 -0.301 0.000 1.051 170 K CA -0.183 56.024 56.287 -0.133 0.000 0.974 170 K CB 0.241 32.493 32.500 -0.413 0.000 0.968 170 K HN 0.385 nan 8.250 nan 0.000 0.475 171 I N 1.017 121.473 120.570 -0.189 0.000 3.927 171 I HA 0.159 4.324 4.170 -0.008 0.000 0.332 171 I C -0.300 175.844 176.117 0.045 0.000 1.485 171 I CA -0.731 60.430 61.300 -0.231 0.000 1.131 171 I CB 0.403 38.347 38.000 -0.093 0.000 1.092 171 I HN 0.359 nan 8.210 nan 0.000 0.410 172 T N -2.346 112.171 114.554 -0.062 0.000 2.930 172 T HA 0.603 4.948 4.350 -0.008 0.000 0.290 172 T C -0.308 174.292 174.700 -0.167 0.000 1.052 172 T CA -0.482 61.596 62.100 -0.035 0.000 1.017 172 T CB 1.745 70.659 68.868 0.078 0.000 1.137 172 T HN 0.050 nan 8.240 nan 0.000 0.511 173 F N 1.344 121.318 119.950 0.039 0.000 2.440 173 F HA 0.506 5.029 4.527 -0.007 0.000 0.323 173 F C 1.254 177.018 175.800 -0.060 0.000 1.192 173 F CA 0.710 58.709 58.000 -0.002 0.000 1.252 173 F CB 0.171 39.182 39.000 0.019 0.000 1.214 173 F HN 0.866 nan 8.300 nan 0.000 0.578 174 D N 0.210 120.666 120.400 0.094 0.000 10.644 174 D HA -0.164 4.472 4.640 -0.008 0.000 0.344 174 D C -0.821 175.393 176.300 -0.143 0.000 3.139 174 D CA -0.338 53.620 54.000 -0.070 0.000 2.654 174 D CB 0.116 40.865 40.800 -0.084 0.000 1.242 174 D HN 0.504 nan 8.370 nan 0.000 0.947 175 Q N -0.187 119.504 119.800 -0.181 0.000 2.584 175 Q HA 0.306 4.641 4.340 -0.008 0.000 0.235 175 Q C 1.343 177.176 176.000 -0.279 0.000 1.079 175 Q CA 0.045 55.723 55.803 -0.207 0.000 0.977 175 Q CB 0.561 29.179 28.738 -0.199 0.000 1.293 175 Q HN 0.316 nan 8.270 nan 0.000 0.553 176 V N 0.315 120.047 119.914 -0.303 0.000 2.379 176 V HA -0.051 4.064 4.120 -0.008 0.000 0.245 176 V C 0.667 176.493 176.094 -0.447 0.000 1.044 176 V CA 1.404 63.440 62.300 -0.441 0.000 1.036 176 V CB -0.147 31.474 31.823 -0.335 0.000 0.664 176 V HN 0.536 nan 8.190 nan 0.000 0.453 177 I N 0.482 120.855 120.570 -0.329 0.000 2.533 177 I HA 0.419 4.584 4.170 -0.008 0.000 0.290 177 I C -1.072 174.921 176.117 -0.206 0.000 1.056 177 I CA -0.431 60.700 61.300 -0.282 0.000 1.057 177 I CB 2.019 39.878 38.000 -0.234 0.000 1.240 177 I HN 0.117 nan 8.210 nan 0.000 0.423 178 N N 7.074 125.657 118.700 -0.194 0.000 2.342 178 N HA 0.554 5.289 4.740 -0.008 0.000 0.293 178 N C -1.147 174.259 175.510 -0.174 0.000 1.026 178 N CA -0.467 52.470 53.050 -0.189 0.000 0.857 178 N CB 2.763 41.136 38.487 -0.190 0.000 1.256 178 N HN 0.440 nan 8.380 nan 0.000 0.484 179 L N 2.508 123.638 121.223 -0.156 0.000 2.295 179 L HA 0.407 4.743 4.340 -0.008 0.000 0.281 179 L C -0.246 176.554 176.870 -0.116 0.000 1.018 179 L CA -0.676 54.103 54.840 -0.101 0.000 0.841 179 L CB 0.647 42.705 42.059 -0.002 0.000 1.218 179 L HN 0.245 nan 8.230 nan 0.000 0.424 180 N N 2.879 121.516 118.700 -0.105 0.000 2.421 180 N HA 0.223 4.958 4.740 -0.008 0.000 0.285 180 N C 0.098 175.587 175.510 -0.036 0.000 1.027 180 N CA -0.322 52.663 53.050 -0.108 0.000 0.918 180 N CB 1.817 40.257 38.487 -0.079 0.000 1.152 180 N HN 0.570 nan 8.380 nan 0.000 0.485 181 N N -0.934 117.745 118.700 -0.035 0.000 2.160 181 N HA -0.001 4.734 4.740 -0.008 0.000 0.226 181 N C -0.515 175.017 175.510 0.036 0.000 1.256 181 N CA -0.226 52.819 53.050 -0.010 0.000 0.890 181 N CB 0.474 38.929 38.487 -0.053 0.000 1.116 181 N HN 0.498 nan 8.380 nan 0.000 0.517 182 T N -3.455 111.151 114.554 0.088 0.000 2.853 182 T HA 0.790 5.135 4.350 -0.008 0.000 0.311 182 T C -0.939 173.882 174.700 0.202 0.000 1.307 182 T CA -0.738 61.444 62.100 0.138 0.000 1.019 182 T CB 1.620 70.593 68.868 0.175 0.000 1.264 182 T HN 0.250 nan 8.240 nan 0.000 0.497 183 A N 1.853 124.760 122.820 0.145 0.000 2.371 183 A HA 0.653 4.968 4.320 -0.008 0.000 0.257 183 A C 0.639 178.279 177.584 0.094 0.000 1.089 183 A CA -0.714 51.404 52.037 0.134 0.000 0.794 183 A CB 0.235 19.279 19.000 0.073 0.000 1.029 183 A HN 0.986 nan 8.150 nan 0.000 0.488 184 R N 0.646 121.168 120.500 0.037 0.000 2.570 184 R HA 0.399 4.734 4.340 -0.008 0.000 0.277 184 R C -0.219 175.957 176.300 -0.207 0.000 1.039 184 R CA 0.874 56.787 56.100 -0.311 0.000 1.065 184 R CB 0.163 30.255 30.300 -0.346 0.000 0.964 184 R HN 0.974 nan 8.270 nan 0.000 0.428 185 A N 4.161 126.851 122.820 -0.216 0.000 2.604 185 A HA 0.266 4.581 4.320 -0.008 0.000 0.295 185 A C 0.345 177.878 177.584 -0.085 0.000 1.067 185 A CA -0.763 51.206 52.037 -0.115 0.000 0.683 185 A CB 0.958 19.917 19.000 -0.069 0.000 1.281 185 A HN 0.852 nan 8.150 nan 0.000 0.407 186 I N 0.224 120.736 120.570 -0.095 0.000 3.010 186 I HA -0.139 4.026 4.170 -0.008 0.000 0.271 186 I C 1.343 177.341 176.117 -0.199 0.000 1.293 186 I CA 0.955 62.199 61.300 -0.093 0.000 1.452 186 I CB -0.377 37.574 38.000 -0.081 0.000 1.082 186 I HN 0.865 nan 8.210 nan 0.000 0.484 187 K N 1.519 121.778 120.400 -0.236 0.000 2.498 187 K HA -0.358 3.957 4.320 -0.008 0.000 0.168 187 K C 0.555 176.905 176.600 -0.416 0.000 1.439 187 K CA 1.994 58.050 56.287 -0.386 0.000 0.793 187 K CB -0.264 31.817 32.500 -0.698 0.000 0.600 187 K HN 0.604 nan 8.250 nan 0.000 0.992 188 D N -4.622 115.495 120.400 -0.472 0.000 3.126 188 D HA -0.054 4.581 4.640 -0.008 0.000 0.208 188 D C -0.152 176.038 176.300 -0.183 0.000 1.047 188 D CA 1.334 55.134 54.000 -0.334 0.000 0.895 188 D CB -1.716 38.919 40.800 -0.274 0.000 1.063 188 D HN 0.767 nan 8.370 nan 0.000 0.449 189 G N 0.008 108.716 108.800 -0.153 0.000 2.356 189 G HA2 0.468 4.424 3.960 -0.008 0.000 0.322 189 G HA3 0.468 4.424 3.960 -0.008 0.000 0.322 189 G C 1.199 176.057 174.900 -0.070 0.000 1.125 189 G CA 0.075 45.121 45.100 -0.090 0.000 0.885 189 G HN 0.613 nan 8.290 nan 0.000 0.467 190 S N 0.699 116.371 115.700 -0.047 0.000 2.461 190 S HA -0.175 4.291 4.470 -0.008 0.000 0.246 190 S C 1.270 175.858 174.600 -0.020 0.000 1.007 190 S CA 1.035 59.217 58.200 -0.029 0.000 0.976 190 S CB -1.053 62.136 63.200 -0.018 0.000 0.763 190 S HN 1.386 nan 8.310 nan 0.000 0.508 191 V N -0.265 119.636 119.914 -0.022 0.000 2.572 191 V HA 0.780 4.895 4.120 -0.008 0.000 0.291 191 V C 0.604 176.696 176.094 -0.003 0.000 1.039 191 V CA -0.214 62.079 62.300 -0.011 0.000 1.055 191 V CB 0.491 32.308 31.823 -0.010 0.000 0.969 191 V HN 0.377 nan 8.190 nan 0.000 0.482 192 G N 2.798 111.601 108.800 0.006 0.000 2.630 192 G HA2 0.698 4.654 3.960 -0.008 0.000 0.296 192 G HA3 0.698 4.654 3.960 -0.008 0.000 0.296 192 G C -0.043 174.867 174.900 0.015 0.000 1.285 192 G CA -0.523 44.589 45.100 0.019 0.000 0.958 192 G HN 1.229 nan 8.290 nan 0.000 0.479 193 G N 0.169 108.982 108.800 0.021 0.000 2.569 193 G HA2 0.544 4.499 3.960 -0.008 0.000 0.249 193 G HA3 0.544 4.499 3.960 -0.008 0.000 0.249 193 G C -2.152 172.729 174.900 -0.031 0.000 1.216 193 G CA -0.770 44.333 45.100 0.004 0.000 0.845 193 G HN 0.512 nan 8.290 nan 0.000 0.568 194 P HA 0.309 nan 4.420 nan 0.000 0.274 194 P C 0.057 177.262 177.300 -0.158 0.000 1.237 194 P CA -0.185 62.873 63.100 -0.069 0.000 0.793 194 P CB 0.999 32.678 31.700 -0.036 0.000 0.977 195 A N 2.931 125.616 122.820 -0.226 0.000 2.565 195 A HA 0.054 4.369 4.320 -0.008 0.000 0.237 195 A C 1.448 178.665 177.584 -0.610 0.000 1.053 195 A CA 0.441 52.178 52.037 -0.499 0.000 0.755 195 A CB -0.542 18.032 19.000 -0.711 0.000 0.980 195 A HN 0.587 nan 8.150 nan 0.000 0.506 196 M N 0.454 119.619 119.600 -0.725 0.000 2.552 196 M HA 0.125 4.600 4.480 -0.008 0.000 0.264 196 M C -0.400 175.375 176.300 -0.874 0.000 1.159 196 M CA 0.539 55.382 55.300 -0.761 0.000 1.176 196 M CB 0.140 32.296 32.600 -0.740 0.000 1.327 196 M HN 0.795 nan 8.290 nan 0.000 0.481 197 Y N -0.180 119.785 120.300 -0.559 0.000 3.589 197 Y HA -0.255 4.291 4.550 -0.008 0.000 0.218 197 Y C 0.127 175.829 175.900 -0.329 0.000 1.234 197 Y CA 0.030 57.873 58.100 -0.429 0.000 1.576 197 Y CB -3.210 34.910 38.460 -0.568 0.000 1.487 197 Y HN 0.355 nan 8.280 nan 0.000 0.616 198 H N 0.426 119.464 119.070 -0.053 0.000 2.499 198 H HA 0.745 5.296 4.556 -0.008 0.000 0.352 198 H C 0.434 175.770 175.328 0.013 0.000 1.237 198 H CA -0.726 55.313 56.048 -0.015 0.000 1.343 198 H CB 1.221 30.956 29.762 -0.047 0.000 1.578 198 H HN 0.345 nan 8.280 nan 0.000 0.577 199 R N 0.543 121.158 120.500 0.190 0.000 2.574 199 R HA 0.473 4.808 4.340 -0.008 0.000 0.288 199 R C -2.005 174.367 176.300 0.120 0.000 1.004 199 R CA -0.621 55.555 56.100 0.126 0.000 0.895 199 R CB 1.348 31.727 30.300 0.131 0.000 1.191 199 R HN 0.324 nan 8.270 nan 0.000 0.444 200 V N 5.515 125.492 119.914 0.105 0.000 2.407 200 V HA 0.371 4.486 4.120 -0.008 0.000 0.291 200 V C -0.757 175.401 176.094 0.106 0.000 1.018 200 V CA -0.538 61.838 62.300 0.127 0.000 0.842 200 V CB 1.428 33.345 31.823 0.157 0.000 0.996 200 V HN 0.907 nan 8.190 nan 0.000 0.426 201 D N 2.402 122.853 120.400 0.085 0.000 2.661 201 D HA 0.345 4.981 4.640 -0.008 0.000 0.228 201 D C -0.172 176.069 176.300 -0.097 0.000 1.183 201 D CA -0.841 53.147 54.000 -0.021 0.000 0.844 201 D CB 1.386 42.222 40.800 0.060 0.000 1.555 201 D HN 0.587 nan 8.370 nan 0.000 0.453 202 H N -1.881 117.069 119.070 -0.200 0.000 2.741 202 H HA -0.157 4.394 4.556 -0.008 0.000 0.305 202 H C -0.484 174.650 175.328 -0.322 0.000 1.169 202 H CA 0.747 56.565 56.048 -0.383 0.000 1.144 202 H CB -1.869 27.331 29.762 -0.938 0.000 1.397 202 H HN 0.434 nan 8.280 nan 0.000 0.409 203 C N 0.066 119.302 119.300 -0.108 0.000 2.399 203 C HA 0.604 5.060 4.460 -0.008 0.000 0.348 203 C C 0.464 175.373 174.990 -0.135 0.000 1.183 203 C CA -0.761 58.180 59.018 -0.129 0.000 2.023 203 C CB 0.605 28.333 27.740 -0.020 0.000 2.361 203 C HN 0.470 nan 8.230 nan 0.000 0.521 204 F N 2.201 121.918 119.950 -0.389 0.000 2.482 204 F HA 0.742 5.264 4.527 -0.008 0.000 0.331 204 F C -1.226 174.358 175.800 -0.360 0.000 1.115 204 F CA -1.143 56.734 58.000 -0.205 0.000 0.955 204 F CB 0.560 39.608 39.000 0.079 0.000 1.136 204 F HN 0.484 nan 8.300 nan 0.000 0.452 205 F N 3.882 123.346 119.950 -0.809 0.000 2.507 205 F HA 0.515 5.038 4.527 -0.008 0.000 0.328 205 F C -0.195 175.230 175.800 -0.624 0.000 1.136 205 F CA -0.784 56.916 58.000 -0.499 0.000 0.930 205 F CB 2.041 40.870 39.000 -0.285 0.000 1.166 205 F HN 0.377 nan 8.300 nan 0.000 0.436 206 S N 4.269 119.818 115.700 -0.251 0.000 2.737 206 S HA 0.553 5.018 4.470 -0.008 0.000 0.269 206 S C -1.515 173.101 174.600 0.027 0.000 1.150 206 S CA -0.526 57.625 58.200 -0.082 0.000 1.077 206 S CB 0.333 63.492 63.200 -0.067 0.000 1.075 206 S HN 0.663 nan 8.310 nan 0.000 0.476 207 N N 4.469 123.149 118.700 -0.032 0.000 2.277 207 N HA 0.510 5.245 4.740 -0.008 0.000 0.286 207 N C -3.177 171.941 175.510 -0.655 0.000 1.140 207 N CA -1.170 51.708 53.050 -0.286 0.000 0.799 207 N CB 2.676 41.049 38.487 -0.190 0.000 1.596 207 N HN 0.364 nan 8.380 nan 0.000 0.473 208 P HA 0.027 nan 4.420 nan 0.000 0.272 208 P C -0.756 176.287 177.300 -0.428 0.000 1.230 208 P CA -0.161 62.249 63.100 -1.151 0.000 0.788 208 P CB 1.188 32.210 31.700 -1.130 0.000 0.949 209 Q N 1.791 121.490 119.800 -0.168 0.000 2.297 209 Q HA 0.108 4.443 4.340 -0.008 0.000 0.267 209 Q C -0.330 175.758 176.000 0.146 0.000 1.006 209 Q CA 0.135 55.931 55.803 -0.012 0.000 0.896 209 Q CB 0.318 29.041 28.738 -0.025 0.000 1.186 209 Q HN 0.291 nan 8.270 nan 0.000 0.392 210 K N 4.212 124.656 120.400 0.073 0.000 2.168 210 K HA 0.545 4.860 4.320 -0.008 0.000 0.239 210 K C -2.337 174.262 176.600 -0.002 0.000 0.999 210 K CA -1.872 54.415 56.287 0.001 0.000 0.900 210 K CB 1.002 33.412 32.500 -0.150 0.000 1.111 210 K HN 0.531 nan 8.250 nan 0.000 0.452 211 P HA 0.142 nan 4.420 nan 0.000 0.286 211 P C 0.219 177.588 177.300 0.114 0.000 1.261 211 P CA 0.072 63.209 63.100 0.061 0.000 0.821 211 P CB 1.140 32.873 31.700 0.055 0.000 1.013 212 G N 3.095 111.934 108.800 0.065 0.000 2.564 212 G HA2 -0.299 3.657 3.960 -0.008 0.000 0.273 212 G HA3 -0.299 3.657 3.960 -0.008 0.000 0.273 212 G C 0.144 175.081 174.900 0.063 0.000 1.242 212 G CA -0.154 44.982 45.100 0.059 0.000 0.951 212 G HN 0.784 nan 8.290 nan 0.000 0.564 213 N N 1.980 120.716 118.700 0.061 0.000 3.050 213 N HA 0.358 5.093 4.740 -0.008 0.000 0.289 213 N C 1.285 176.861 175.510 0.110 0.000 1.209 213 N CA 0.820 53.901 53.050 0.052 0.000 1.154 213 N CB 0.028 38.536 38.487 0.035 0.000 1.444 213 N HN 0.951 nan 8.380 nan 0.000 0.529 214 A N 1.066 123.971 122.820 0.142 0.000 2.275 214 A HA 0.372 4.687 4.320 -0.008 0.000 0.212 214 A C 0.913 178.590 177.584 0.155 0.000 1.201 214 A CA 0.398 52.600 52.037 0.275 0.000 0.843 214 A CB -0.195 18.930 19.000 0.209 0.000 0.873 214 A HN 0.630 nan 8.150 nan 0.000 0.492 215 G N -1.892 106.928 108.800 0.034 0.000 3.338 215 G HA2 0.351 4.307 3.960 -0.008 0.000 0.686 215 G HA3 0.351 4.307 3.960 -0.008 0.000 0.686 215 G C 0.265 175.113 174.900 -0.088 0.000 1.053 215 G CA -0.252 44.819 45.100 -0.047 0.000 0.852 215 G HN 1.090 nan 8.290 nan 0.000 0.545 216 G N 0.699 109.432 108.800 -0.112 0.000 3.227 216 G HA2 0.776 4.731 3.960 -0.008 0.000 0.171 216 G HA3 0.776 4.731 3.960 -0.008 0.000 0.171 216 G C 1.411 176.227 174.900 -0.140 0.000 1.463 216 G CA 0.766 45.793 45.100 -0.121 0.000 1.016 216 G HN 1.660 nan 8.290 nan 0.000 0.594 217 G N -0.570 108.143 108.800 -0.146 0.000 2.518 217 G HA2 0.291 4.246 3.960 -0.008 0.000 0.213 217 G HA3 0.291 4.246 3.960 -0.008 0.000 0.213 217 G C 0.359 175.137 174.900 -0.203 0.000 1.226 217 G CA 0.309 45.309 45.100 -0.167 0.000 0.822 217 G HN 0.433 nan 8.290 nan 0.000 0.546 218 I N -0.375 120.079 120.570 -0.194 0.000 2.582 218 I HA 0.451 4.616 4.170 -0.008 0.000 0.292 218 I C -0.520 175.520 176.117 -0.128 0.000 1.066 218 I CA -0.849 60.364 61.300 -0.145 0.000 1.053 218 I CB 2.731 40.687 38.000 -0.073 0.000 1.241 218 I HN 0.064 nan 8.210 nan 0.000 0.421 219 R N 6.515 126.932 120.500 -0.138 0.000 2.599 219 R HA 0.752 5.087 4.340 -0.008 0.000 0.295 219 R C -1.754 174.460 176.300 -0.144 0.000 0.963 219 R CA -0.523 55.486 56.100 -0.152 0.000 0.883 219 R CB 1.626 31.803 30.300 -0.204 0.000 1.171 219 R HN 0.658 nan 8.270 nan 0.000 0.450 220 I N 4.832 125.334 120.570 -0.114 0.000 2.439 220 I HA 0.423 4.589 4.170 -0.008 0.000 0.283 220 I C 0.313 176.345 176.117 -0.141 0.000 1.023 220 I CA -0.330 60.911 61.300 -0.099 0.000 1.100 220 I CB 1.622 39.616 38.000 -0.010 0.000 1.238 220 I HN 1.043 nan 8.210 nan 0.000 0.445 221 G N 4.326 112.996 108.800 -0.216 0.000 2.725 221 G HA2 -0.284 3.672 3.960 -0.008 0.000 0.220 221 G HA3 -0.284 3.672 3.960 -0.008 0.000 0.220 221 G C -0.736 173.975 174.900 -0.315 0.000 1.357 221 G CA -0.022 44.956 45.100 -0.203 0.000 0.866 221 G HN 0.496 nan 8.290 nan 0.000 0.548 222 Y N -1.534 118.677 120.300 -0.149 0.000 2.640 222 Y HA 0.460 5.006 4.550 -0.007 0.000 0.274 222 Y C 0.837 176.340 175.900 -0.662 0.000 1.164 222 Y CA 0.241 58.114 58.100 -0.379 0.000 1.189 222 Y CB 0.516 38.731 38.460 -0.408 0.000 1.333 222 Y HN 0.583 nan 8.280 nan 0.000 0.494 223 Y N -0.343 119.957 120.300 0.001 0.000 2.638 223 Y HA 0.296 4.843 4.550 -0.004 0.000 0.339 223 Y C 1.347 177.172 175.900 -0.124 0.000 1.084 223 Y CA -1.796 56.154 58.100 -0.250 0.000 1.068 223 Y CB 0.795 39.108 38.460 -0.244 0.000 1.294 223 Y HN -0.178 nan 8.280 nan 0.000 0.480 224 R N -0.150 120.381 120.500 0.052 0.000 2.200 224 R HA -0.131 4.205 4.340 -0.008 0.000 0.234 224 R C 0.060 176.397 176.300 0.063 0.000 1.127 224 R CA 1.991 58.145 56.100 0.089 0.000 0.989 224 R CB -0.213 30.154 30.300 0.112 0.000 0.869 224 R HN 0.497 nan 8.270 nan 0.000 0.459 225 N N 0.977 119.706 118.700 0.049 0.000 2.463 225 N HA -0.026 4.709 4.740 -0.008 0.000 0.181 225 N C -0.572 174.953 175.510 0.024 0.000 1.078 225 N CA 0.538 53.605 53.050 0.029 0.000 0.902 225 N CB -0.049 38.445 38.487 0.011 0.000 0.970 225 N HN 0.285 nan 8.380 nan 0.000 0.451 226 D N 0.997 121.419 120.400 0.037 0.000 2.382 226 D HA 0.103 4.738 4.640 -0.008 0.000 0.245 226 D C 0.471 176.755 176.300 -0.027 0.000 1.120 226 D CA 0.146 54.152 54.000 0.010 0.000 0.890 226 D CB 1.324 42.136 40.800 0.020 0.000 1.201 226 D HN -0.061 nan 8.370 nan 0.000 0.433 227 I N 1.720 122.250 120.570 -0.065 0.000 2.354 227 I HA 0.253 4.418 4.170 -0.008 0.000 0.292 227 I C 1.380 177.388 176.117 -0.183 0.000 0.989 227 I CA -0.385 60.848 61.300 -0.112 0.000 1.188 227 I CB 1.069 38.998 38.000 -0.120 0.000 1.342 227 I HN 0.449 nan 8.210 nan 0.000 0.457 228 G N 4.654 113.334 108.800 -0.200 0.000 2.641 228 G HA2 0.025 3.980 3.960 -0.008 0.000 0.211 228 G HA3 0.025 3.980 3.960 -0.008 0.000 0.211 228 G C 0.668 175.341 174.900 -0.378 0.000 1.190 228 G CA -0.272 44.679 45.100 -0.248 0.000 0.842 228 G HN 0.623 nan 8.290 nan 0.000 0.585 229 R N -1.038 119.267 120.500 -0.325 0.000 3.416 229 R HA -0.157 4.179 4.340 -0.008 0.000 0.263 229 R C -0.687 175.438 176.300 -0.290 0.000 1.053 229 R CA 0.153 56.052 56.100 -0.334 0.000 0.705 229 R CB -2.642 27.362 30.300 -0.493 0.000 1.124 229 R HN 0.333 nan 8.270 nan 0.000 0.444 230 C N 0.446 119.601 119.300 -0.242 0.000 2.366 230 C HA 0.570 5.025 4.460 -0.008 0.000 0.345 230 C C 0.466 175.349 174.990 -0.178 0.000 1.209 230 C CA -0.907 58.009 59.018 -0.169 0.000 2.050 230 C CB 1.069 28.732 27.740 -0.127 0.000 2.359 230 C HN 0.392 nan 8.230 nan 0.000 0.527 231 L N 3.932 125.099 121.223 -0.093 0.000 2.287 231 L HA 0.696 5.031 4.340 -0.008 0.000 0.287 231 L C -0.680 176.147 176.870 -0.072 0.000 1.022 231 L CA 0.233 55.018 54.840 -0.091 0.000 0.814 231 L CB 1.142 43.203 42.059 0.002 0.000 1.217 231 L HN 0.503 nan 8.230 nan 0.000 0.420 232 V N 5.864 125.693 119.914 -0.141 0.000 2.325 232 V HA 0.503 4.618 4.120 -0.008 0.000 0.280 232 V C -0.940 175.198 176.094 0.074 0.000 1.016 232 V CA -0.556 61.741 62.300 -0.006 0.000 0.818 232 V CB 1.151 32.994 31.823 0.033 0.000 1.019 232 V HN 0.871 nan 8.190 nan 0.000 0.434 233 D N 2.020 122.455 120.400 0.060 0.000 2.645 233 D HA 0.347 4.982 4.640 -0.008 0.000 0.228 233 D C -0.019 176.195 176.300 -0.143 0.000 1.148 233 D CA -0.777 53.238 54.000 0.026 0.000 0.860 233 D CB 2.021 42.896 40.800 0.125 0.000 1.548 233 D HN 0.278 nan 8.370 nan 0.000 0.460 234 S N 0.448 116.019 115.700 -0.215 0.000 3.614 234 S HA -0.165 4.300 4.470 -0.008 0.000 0.360 234 S C -0.319 174.054 174.600 -0.378 0.000 1.023 234 S CA 0.259 58.235 58.200 -0.373 0.000 1.114 234 S CB -1.734 61.062 63.200 -0.674 0.000 0.907 234 S HN 0.617 nan 8.310 nan 0.000 0.470 235 N N 0.455 119.036 118.700 -0.198 0.000 2.430 235 N HA 0.640 5.375 4.740 -0.008 0.000 0.298 235 N C -0.653 174.725 175.510 -0.220 0.000 1.130 235 N CA -0.669 52.266 53.050 -0.192 0.000 0.894 235 N CB 1.467 39.861 38.487 -0.155 0.000 1.209 235 N HN 0.278 nan 8.380 nan 0.000 0.503 236 L N 1.983 123.085 121.223 -0.203 0.000 2.316 236 L HA 0.517 4.853 4.340 -0.008 0.000 0.280 236 L C -1.632 175.106 176.870 -0.221 0.000 1.006 236 L CA -0.396 54.390 54.840 -0.089 0.000 0.836 236 L CB 0.109 42.269 42.059 0.168 0.000 1.221 236 L HN 0.315 nan 8.230 nan 0.000 0.418 237 F N 6.204 126.079 119.950 -0.124 0.000 2.361 237 F HA 0.544 5.066 4.527 -0.008 0.000 0.364 237 F C 0.253 176.015 175.800 -0.064 0.000 1.120 237 F CA -0.330 57.614 58.000 -0.094 0.000 1.102 237 F CB 1.369 40.298 39.000 -0.118 0.000 1.183 237 F HN 0.413 nan 8.300 nan 0.000 0.476 238 M N 4.926 124.526 119.600 0.000 0.000 2.093 238 M HA 0.414 4.889 4.480 -0.008 0.000 0.297 238 M C -0.197 176.147 176.300 0.073 0.000 0.938 238 M CA -0.350 54.987 55.300 0.062 0.000 0.920 238 M CB 0.709 33.404 32.600 0.160 0.000 1.517 238 M HN 0.737 nan 8.290 nan 0.000 0.427 239 R N 1.659 122.230 120.500 0.118 0.000 3.416 239 R HA -0.181 4.154 4.340 -0.008 0.000 0.263 239 R C -0.587 175.857 176.300 0.240 0.000 1.053 239 R CA 0.458 56.674 56.100 0.193 0.000 0.705 239 R CB -1.783 28.614 30.300 0.161 0.000 1.124 239 R HN 0.733 nan 8.270 nan 0.000 0.444 240 Q N 1.497 121.407 119.800 0.182 0.000 2.402 240 Q HA 0.076 4.411 4.340 -0.008 0.000 0.238 240 Q C -0.239 175.824 176.000 0.107 0.000 1.126 240 Q CA 0.397 56.293 55.803 0.155 0.000 0.904 240 Q CB 0.617 29.508 28.738 0.253 0.000 1.357 240 Q HN 0.127 nan 8.270 nan 0.000 0.491 241 D N 1.652 122.087 120.400 0.058 0.000 2.479 241 D HA 0.105 4.741 4.640 -0.008 0.000 0.218 241 D C 0.760 177.022 176.300 -0.064 0.000 1.177 241 D CA 0.101 54.106 54.000 0.009 0.000 0.830 241 D CB 0.569 41.390 40.800 0.035 0.000 1.014 241 D HN 0.436 nan 8.370 nan 0.000 0.503 242 S N 0.986 116.632 115.700 -0.090 0.000 2.381 242 S HA -0.210 4.255 4.470 -0.008 0.000 0.230 242 S C 1.020 175.577 174.600 -0.071 0.000 1.052 242 S CA 1.680 59.814 58.200 -0.110 0.000 1.068 242 S CB -0.026 63.098 63.200 -0.126 0.000 0.918 242 S HN 0.666 nan 8.310 nan 0.000 0.448 243 E N -2.252 117.912 120.200 -0.060 0.000 2.394 243 E HA 0.743 5.088 4.350 -0.008 0.000 0.266 243 E C 0.501 177.071 176.600 -0.050 0.000 1.065 243 E CA -0.193 56.181 56.400 -0.044 0.000 0.885 243 E CB 0.218 29.898 29.700 -0.033 0.000 1.659 243 E HN -0.085 nan 8.360 nan 0.000 0.462 244 A N -0.205 122.584 122.820 -0.052 0.000 1.978 244 A HA -0.115 4.200 4.320 -0.008 0.000 0.220 244 A C 0.443 177.981 177.584 -0.076 0.000 1.170 244 A CA 1.433 53.430 52.037 -0.065 0.000 0.636 244 A CB -0.789 18.161 19.000 -0.083 0.000 0.810 244 A HN 0.458 nan 8.150 nan 0.000 0.448 245 E N -0.540 119.607 120.200 -0.088 0.000 2.109 245 E HA 0.423 4.768 4.350 -0.008 0.000 0.278 245 E C 0.203 176.724 176.600 -0.133 0.000 0.954 245 E CA -0.400 55.933 56.400 -0.111 0.000 0.779 245 E CB 1.266 30.891 29.700 -0.125 0.000 1.093 245 E HN 0.414 nan 8.360 nan 0.000 0.401 246 I N 2.391 122.862 120.570 -0.165 0.000 2.163 246 I HA -0.107 4.058 4.170 -0.008 0.000 0.240 246 I C 0.887 176.834 176.117 -0.284 0.000 1.081 246 I CA 1.228 62.398 61.300 -0.216 0.000 1.353 246 I CB 0.139 37.968 38.000 -0.285 0.000 1.054 246 I HN 0.405 nan 8.210 nan 0.000 0.407 247 I N -0.281 120.109 120.570 -0.299 0.000 2.533 247 I HA 0.156 4.321 4.170 -0.008 0.000 0.290 247 I C -0.265 175.730 176.117 -0.203 0.000 1.056 247 I CA -0.262 60.882 61.300 -0.260 0.000 1.057 247 I CB 2.291 40.101 38.000 -0.316 0.000 1.240 247 I HN -0.175 nan 8.210 nan 0.000 0.423 248 T N 4.372 118.829 114.554 -0.161 0.000 2.947 248 T HA 0.206 4.551 4.350 -0.008 0.000 0.337 248 T C -0.328 174.303 174.700 -0.114 0.000 1.139 248 T CA -0.221 61.784 62.100 -0.158 0.000 0.992 248 T CB 0.376 69.137 68.868 -0.179 0.000 1.043 248 T HN 0.513 nan 8.240 nan 0.000 0.498 249 S N 4.539 120.200 115.700 -0.065 0.000 2.405 249 S HA 0.340 4.805 4.470 -0.008 0.000 0.291 249 S C 0.517 175.110 174.600 -0.012 0.000 1.137 249 S CA -0.466 57.752 58.200 0.030 0.000 1.061 249 S CB -0.090 63.201 63.200 0.153 0.000 1.001 249 S HN 0.707 nan 8.310 nan 0.000 0.507 250 K N 3.191 123.574 120.400 -0.029 0.000 3.135 250 K HA 0.242 4.557 4.320 -0.008 0.000 0.210 250 K C -0.682 175.927 176.600 0.014 0.000 1.176 250 K CA -0.304 55.986 56.287 0.005 0.000 1.064 250 K CB 0.425 32.914 32.500 -0.019 0.000 1.009 250 K HN 0.641 nan 8.250 nan 0.000 0.472 251 S N -1.093 114.610 115.700 0.006 0.000 2.567 251 S HA 0.259 4.725 4.470 -0.008 0.000 0.270 251 S C -0.865 173.715 174.600 -0.033 0.000 1.152 251 S CA -1.229 56.962 58.200 -0.015 0.000 0.835 251 S CB 1.299 64.465 63.200 -0.058 0.000 1.115 251 S HN 0.151 nan 8.310 nan 0.000 0.459 252 Q N 0.739 120.515 119.800 -0.040 0.000 2.417 252 Q HA 0.359 4.694 4.340 -0.008 0.000 0.241 252 Q C -0.386 175.538 176.000 -0.126 0.000 1.008 252 Q CA -0.196 55.574 55.803 -0.055 0.000 0.901 252 Q CB 0.181 28.907 28.738 -0.020 0.000 1.259 252 Q HN 0.796 nan 8.270 nan 0.000 0.489 253 E N 0.141 120.234 120.200 -0.179 0.000 2.440 253 E HA -0.255 4.090 4.350 -0.008 0.000 0.246 253 E C -0.753 175.702 176.600 -0.242 0.000 1.165 253 E CA 0.014 56.250 56.400 -0.274 0.000 0.726 253 E CB -1.182 28.366 29.700 -0.254 0.000 1.271 253 E HN 0.481 nan 8.360 nan 0.000 0.397 254 N N 0.283 118.854 118.700 -0.216 0.000 2.524 254 N HA 0.332 5.068 4.740 -0.008 0.000 0.283 254 N C -0.326 175.022 175.510 -0.270 0.000 1.142 254 N CA -0.179 52.722 53.050 -0.249 0.000 0.984 254 N CB 1.719 40.100 38.487 -0.176 0.000 1.155 254 N HN -0.110 nan 8.380 nan 0.000 0.467 255 V N 2.692 122.392 119.914 -0.356 0.000 2.444 255 V HA 0.307 4.423 4.120 -0.008 0.000 0.294 255 V C -1.142 174.743 176.094 -0.348 0.000 1.022 255 V CA -0.670 61.507 62.300 -0.204 0.000 0.850 255 V CB 0.587 32.349 31.823 -0.101 0.000 0.992 255 V HN 0.486 nan 8.190 nan 0.000 0.426 256 Y N 4.927 125.337 120.300 0.184 0.000 2.402 256 Y HA 0.571 5.115 4.550 -0.008 0.000 0.332 256 Y C -0.541 175.507 175.900 0.247 0.000 0.960 256 Y CA -0.569 57.658 58.100 0.213 0.000 1.228 256 Y CB 1.236 39.842 38.460 0.244 0.000 1.120 256 Y HN 0.661 nan 8.280 nan 0.000 0.491 257 Y N 1.421 121.802 120.300 0.135 0.000 2.361 257 Y HA 0.567 5.112 4.550 -0.008 0.000 0.337 257 Y C 0.596 176.537 175.900 0.068 0.000 0.965 257 Y CA -1.204 56.950 58.100 0.089 0.000 1.091 257 Y CB 1.877 40.366 38.460 0.049 0.000 1.182 257 Y HN 0.745 nan 8.280 nan 0.000 0.450 258 G N 4.225 112.682 108.800 -0.571 0.000 2.273 258 G HA2 -0.297 3.659 3.960 -0.008 0.000 0.280 258 G HA3 -0.297 3.659 3.960 -0.008 0.000 0.280 258 G C -0.481 174.289 174.900 -0.218 0.000 1.047 258 G CA 0.236 45.022 45.100 -0.524 0.000 0.869 258 G HN 0.664 nan 8.290 nan 0.000 0.502 259 N N -0.110 118.522 118.700 -0.114 0.000 2.492 259 N HA 0.516 5.251 4.740 -0.008 0.000 0.289 259 N C -0.262 175.110 175.510 -0.229 0.000 1.133 259 N CA 0.057 53.017 53.050 -0.149 0.000 0.961 259 N CB 1.311 39.741 38.487 -0.096 0.000 1.186 259 N HN 0.097 nan 8.380 nan 0.000 0.493 260 T N 1.781 116.163 114.554 -0.286 0.000 2.797 260 T HA 0.399 4.744 4.350 -0.008 0.000 0.279 260 T C -0.926 173.575 174.700 -0.332 0.000 0.991 260 T CA -0.323 61.661 62.100 -0.193 0.000 0.979 260 T CB 0.257 69.069 68.868 -0.094 0.000 0.943 260 T HN 0.239 nan 8.240 nan 0.000 0.444 261 Y N 2.968 123.265 120.300 -0.005 0.000 2.447 261 Y HA 0.552 5.097 4.550 -0.008 0.000 0.325 261 Y C -0.355 175.579 175.900 0.057 0.000 0.976 261 Y CA -1.144 56.991 58.100 0.057 0.000 1.280 261 Y CB 0.974 39.430 38.460 -0.007 0.000 1.104 261 Y HN 0.391 nan 8.280 nan 0.000 0.486 262 L N 4.769 126.080 121.223 0.146 0.000 2.287 262 L HA 0.528 4.864 4.340 -0.008 0.000 0.287 262 L C -0.091 176.746 176.870 -0.055 0.000 1.022 262 L CA -0.472 54.396 54.840 0.047 0.000 0.814 262 L CB 0.624 42.707 42.059 0.040 0.000 1.217 262 L HN 0.650 nan 8.230 nan 0.000 0.420 263 N N 2.549 121.067 118.700 -0.302 0.000 2.705 263 N HA -0.214 4.521 4.740 -0.008 0.000 0.255 263 N C -0.898 174.457 175.510 -0.259 0.000 1.008 263 N CA 0.985 53.507 53.050 -0.881 0.000 0.742 263 N CB -1.592 36.535 38.487 -0.600 0.000 0.906 263 N HN 0.547 nan 8.380 nan 0.000 0.541 264 C N 0.745 120.080 119.300 0.057 0.000 2.307 264 C HA 0.226 4.682 4.460 -0.008 0.000 0.340 264 C C 1.270 176.483 174.990 0.373 0.000 1.275 264 C CA -0.753 58.407 59.018 0.238 0.000 1.811 264 C CB 1.116 28.988 27.740 0.219 0.000 2.372 264 C HN 0.303 nan 8.230 nan 0.000 0.531 265 Q N 2.200 122.159 119.800 0.266 0.000 3.026 265 Q HA 0.464 4.800 4.340 -0.008 0.000 0.258 265 Q C 0.584 176.626 176.000 0.070 0.000 1.388 265 Q CA 0.048 55.940 55.803 0.148 0.000 1.000 265 Q CB 0.373 29.085 28.738 -0.043 0.000 1.634 265 Q HN 1.048 nan 8.270 nan 0.000 0.571 266 G N 0.260 109.114 108.800 0.091 0.000 2.321 266 G HA2 0.290 4.245 3.960 -0.008 0.000 0.296 266 G HA3 0.290 4.245 3.960 -0.008 0.000 0.296 266 G C -1.099 173.812 174.900 0.018 0.000 1.287 266 G CA -0.537 44.575 45.100 0.021 0.000 0.846 266 G HN 0.239 nan 8.290 nan 0.000 0.508 267 T N -2.059 112.470 114.554 -0.041 0.000 2.906 267 T HA 0.678 5.023 4.350 -0.008 0.000 0.295 267 T C -0.094 174.494 174.700 -0.186 0.000 1.061 267 T CA -0.745 61.310 62.100 -0.075 0.000 1.000 267 T CB 2.017 70.901 68.868 0.027 0.000 1.103 267 T HN 0.840 nan 8.240 nan 0.000 0.486 268 M N 3.275 122.677 119.600 -0.331 0.000 2.146 268 M HA 0.400 4.875 4.480 -0.008 0.000 0.357 268 M C -1.393 174.719 176.300 -0.314 0.000 1.261 268 M CA -0.250 54.788 55.300 -0.436 0.000 1.106 268 M CB 0.072 32.268 32.600 -0.674 0.000 1.612 268 M HN 0.673 nan 8.290 nan 0.000 0.470 269 N N 4.899 123.473 118.700 -0.209 0.000 2.321 269 N HA 0.425 5.160 4.740 -0.008 0.000 0.299 269 N C -1.413 174.162 175.510 0.107 0.000 1.048 269 N CA -0.330 52.715 53.050 -0.008 0.000 0.836 269 N CB 1.193 39.767 38.487 0.145 0.000 1.269 269 N HN 0.414 nan 8.380 nan 0.000 0.486 270 F N 1.628 121.591 119.950 0.022 0.000 2.384 270 F HA 0.302 4.824 4.527 -0.008 0.000 0.359 270 F C 1.622 177.481 175.800 0.099 0.000 1.143 270 F CA -0.952 57.023 58.000 -0.042 0.000 1.216 270 F CB 0.484 39.340 39.000 -0.241 0.000 1.512 270 F HN 0.440 nan 8.300 nan 0.000 0.573 271 R N 0.933 121.428 120.500 -0.008 0.000 2.062 271 R HA 0.041 4.377 4.340 -0.008 0.000 0.226 271 R C -0.044 175.808 176.300 -0.746 0.000 1.125 271 R CA 1.566 57.271 56.100 -0.658 0.000 0.966 271 R CB 0.053 29.877 30.300 -0.794 0.000 0.861 271 R HN 0.344 nan 8.270 nan 0.000 0.433 272 H N -1.718 117.251 119.070 -0.167 0.000 2.851 272 H HA 0.514 5.066 4.556 -0.006 0.000 0.372 272 H C -0.693 174.644 175.328 0.014 0.000 1.158 272 H CA -0.338 55.664 56.048 -0.077 0.000 1.159 272 H CB 1.885 31.588 29.762 -0.098 0.000 1.757 272 H HN 0.437 nan 8.280 nan 0.000 0.546 273 G N 2.998 111.921 108.800 0.205 0.000 3.355 273 G HA2 -0.128 3.827 3.960 -0.008 0.000 0.686 273 G HA3 -0.128 3.827 3.960 -0.008 0.000 0.686 273 G C -0.938 174.064 174.900 0.170 0.000 1.097 273 G CA -0.857 44.322 45.100 0.133 0.000 0.881 273 G HN 0.503 nan 8.290 nan 0.000 0.550 274 D N 0.593 121.059 120.400 0.110 0.000 2.411 274 D HA 0.435 5.071 4.640 -0.008 0.000 0.251 274 D C 1.146 177.491 176.300 0.074 0.000 1.201 274 D CA 0.672 54.688 54.000 0.027 0.000 0.996 274 D CB 0.313 41.072 40.800 -0.068 0.000 1.101 274 D HN 0.894 nan 8.370 nan 0.000 0.504 275 H N -0.459 118.500 119.070 -0.186 0.000 2.748 275 H HA -0.196 4.355 4.556 -0.008 0.000 0.322 275 H C -0.662 174.659 175.328 -0.012 0.000 1.208 275 H CA 0.020 56.022 56.048 -0.077 0.000 1.151 275 H CB -0.698 29.014 29.762 -0.083 0.000 1.505 275 H HN 0.303 nan 8.280 nan 0.000 0.429 276 Q N 0.409 120.269 119.800 0.100 0.000 2.215 276 Q HA 0.640 4.975 4.340 -0.008 0.000 0.256 276 Q C -0.297 175.543 176.000 -0.267 0.000 0.972 276 Q CA -0.860 54.674 55.803 -0.449 0.000 0.889 276 Q CB 2.911 30.837 28.738 -1.353 0.000 1.281 276 Q HN 0.135 nan 8.270 nan 0.000 0.456 277 V N 0.479 120.341 119.914 -0.088 0.000 2.588 277 V HA 0.724 4.840 4.120 -0.008 0.000 0.304 277 V C -1.027 175.370 176.094 0.505 0.000 1.042 277 V CA -0.746 61.689 62.300 0.224 0.000 0.877 277 V CB 1.665 33.536 31.823 0.081 0.000 0.996 277 V HN 0.822 nan 8.190 nan 0.000 0.425 278 A N 6.226 129.359 122.820 0.522 0.000 2.375 278 A HA 0.901 5.216 4.320 -0.008 0.000 0.291 278 A C -1.035 176.716 177.584 0.278 0.000 1.160 278 A CA -0.312 51.987 52.037 0.437 0.000 0.747 278 A CB 0.698 19.884 19.000 0.310 0.000 1.170 278 A HN 0.746 nan 8.150 nan 0.000 0.458 279 I N 1.447 122.182 120.570 0.275 0.000 2.498 279 I HA 0.339 4.504 4.170 -0.008 0.000 0.290 279 I C 0.452 176.690 176.117 0.202 0.000 1.032 279 I CA -0.724 60.717 61.300 0.235 0.000 1.073 279 I CB 2.062 40.220 38.000 0.263 0.000 1.251 279 I HN 0.888 nan 8.210 nan 0.000 0.426 280 N N 3.368 122.092 118.700 0.040 0.000 2.727 280 N HA -0.192 4.544 4.740 -0.008 0.000 0.249 280 N C -0.708 174.599 175.510 -0.338 0.000 1.048 280 N CA 0.328 53.286 53.050 -0.153 0.000 0.714 280 N CB -0.628 37.859 38.487 -0.001 0.000 0.959 280 N HN 0.568 nan 8.380 nan 0.000 0.544 281 N N -0.041 118.462 118.700 -0.329 0.000 2.489 281 N HA 0.352 5.087 4.740 -0.008 0.000 0.284 281 N C -0.752 174.339 175.510 -0.698 0.000 1.158 281 N CA 0.128 52.952 53.050 -0.377 0.000 0.965 281 N CB 0.537 38.858 38.487 -0.277 0.000 1.195 281 N HN 0.041 nan 8.380 nan 0.000 0.506 282 F N 1.215 120.914 119.950 -0.418 0.000 2.426 282 F HA 0.333 4.855 4.527 -0.008 0.000 0.348 282 F C -0.488 175.081 175.800 -0.385 0.000 1.124 282 F CA -0.655 57.173 58.000 -0.286 0.000 1.008 282 F CB 0.832 39.743 39.000 -0.147 0.000 1.139 282 F HN 0.312 nan 8.300 nan 0.000 0.452 283 Y N 4.771 125.104 120.300 0.056 0.000 2.464 283 Y HA 0.506 5.051 4.550 -0.008 0.000 0.326 283 Y C -0.446 175.546 175.900 0.153 0.000 0.969 283 Y CA -0.925 57.209 58.100 0.058 0.000 1.270 283 Y CB 0.665 39.020 38.460 -0.174 0.000 1.103 283 Y HN 0.236 nan 8.280 nan 0.000 0.491 284 I N 2.560 123.294 120.570 0.274 0.000 2.433 284 I HA 0.584 4.750 4.170 -0.008 0.000 0.292 284 I C 0.395 176.573 176.117 0.101 0.000 1.001 284 I CA -0.776 60.653 61.300 0.215 0.000 1.119 284 I CB 1.791 39.896 38.000 0.176 0.000 1.289 284 I HN 0.702 nan 8.210 nan 0.000 0.438 285 G N 4.356 113.227 108.800 0.118 0.000 2.644 285 G HA2 0.439 4.394 3.960 -0.008 0.000 0.300 285 G HA3 0.439 4.394 3.960 -0.008 0.000 0.300 285 G C -0.162 174.809 174.900 0.119 0.000 1.395 285 G CA -0.463 44.661 45.100 0.040 0.000 0.964 285 G HN 0.689 nan 8.290 nan 0.000 0.511 286 N N 0.667 119.402 118.700 0.059 0.000 2.238 286 N HA 0.187 4.922 4.740 -0.008 0.000 0.235 286 N C -0.424 175.169 175.510 0.140 0.000 1.209 286 N CA -0.445 52.675 53.050 0.116 0.000 0.879 286 N CB 0.862 39.398 38.487 0.080 0.000 1.136 286 N HN 0.534 nan 8.380 nan 0.000 0.517 287 D N -1.549 118.978 120.400 0.213 0.000 2.752 287 D HA 0.194 4.829 4.640 -0.008 0.000 0.313 287 D C -0.270 176.162 176.300 0.221 0.000 1.225 287 D CA -0.618 53.494 54.000 0.186 0.000 0.976 287 D CB 0.428 41.310 40.800 0.138 0.000 1.443 287 D HN -0.030 nan 8.370 nan 0.000 0.515 288 Q N -0.989 118.875 119.800 0.105 0.000 2.188 288 Q HA 0.300 4.636 4.340 -0.008 0.000 0.212 288 Q C 1.348 177.296 176.000 -0.086 0.000 0.846 288 Q CA -0.314 55.508 55.803 0.032 0.000 0.989 288 Q CB 0.878 29.629 28.738 0.021 0.000 1.114 288 Q HN 0.342 nan 8.270 nan 0.000 0.488 289 R N 0.119 120.544 120.500 -0.125 0.000 2.092 289 R HA -0.016 4.320 4.340 -0.008 0.000 0.231 289 R C -0.388 175.433 176.300 -0.798 0.000 1.119 289 R CA 1.206 57.016 56.100 -0.483 0.000 0.970 289 R CB 0.397 30.359 30.300 -0.563 0.000 0.864 289 R HN 0.074 nan 8.270 nan 0.000 0.440 290 F N -2.818 116.969 119.950 -0.272 0.000 2.715 290 F HA 0.437 4.959 4.527 -0.008 0.000 0.318 290 F C 0.343 175.657 175.800 -0.810 0.000 1.141 290 F CA -1.038 56.707 58.000 -0.425 0.000 0.950 290 F CB 0.749 39.549 39.000 -0.333 0.000 1.374 290 F HN -0.157 nan 8.300 nan 0.000 0.477 291 G N -0.137 108.492 108.800 -0.284 0.000 2.415 291 G HA2 0.487 4.442 3.960 -0.008 0.000 0.269 291 G HA3 0.487 4.442 3.960 -0.008 0.000 0.269 291 G C -1.932 172.768 174.900 -0.334 0.000 1.209 291 G CA -0.029 44.899 45.100 -0.286 0.000 0.835 291 G HN 0.350 nan 8.290 nan 0.000 0.534 292 Y N -0.195 120.182 120.300 0.129 0.000 2.602 292 Y HA 0.756 5.302 4.550 -0.008 0.000 0.342 292 Y C 0.749 176.723 175.900 0.124 0.000 1.029 292 Y CA -0.746 57.434 58.100 0.134 0.000 1.080 292 Y CB 2.318 40.871 38.460 0.155 0.000 1.284 292 Y HN 0.807 nan 8.280 nan 0.000 0.485 293 G N -1.122 107.869 108.800 0.318 0.000 2.733 293 G HA2 0.668 4.623 3.960 -0.008 0.000 0.288 293 G HA3 0.668 4.623 3.960 -0.008 0.000 0.288 293 G C -0.634 174.376 174.900 0.183 0.000 1.373 293 G CA -0.589 44.636 45.100 0.208 0.000 0.895 293 G HN 1.213 nan 8.290 nan 0.000 0.479 294 G N -1.311 107.464 108.800 -0.042 0.000 2.406 294 G HA2 0.401 4.357 3.960 -0.008 0.000 0.680 294 G HA3 0.401 4.357 3.960 -0.008 0.000 0.680 294 G C -0.995 173.693 174.900 -0.352 0.000 1.338 294 G CA -0.602 44.431 45.100 -0.112 0.000 0.941 294 G HN 0.737 nan 8.290 nan 0.000 0.633 295 M N 0.282 119.744 119.600 -0.230 0.000 2.393 295 M HA 0.608 5.083 4.480 -0.008 0.000 0.299 295 M C -1.467 174.803 176.300 -0.049 0.000 1.103 295 M CA -0.550 54.591 55.300 -0.264 0.000 0.910 295 M CB 2.609 34.974 32.600 -0.392 0.000 1.659 295 M HN 0.473 nan 8.290 nan 0.000 0.445 296 F N 2.930 122.786 119.950 -0.157 0.000 2.449 296 F HA 0.668 5.190 4.527 -0.008 0.000 0.342 296 F C -1.051 174.639 175.800 -0.182 0.000 1.127 296 F CA -0.668 57.212 58.000 -0.200 0.000 0.975 296 F CB 1.220 40.035 39.000 -0.308 0.000 1.146 296 F HN 0.193 nan 8.300 nan 0.000 0.444 297 V N 5.938 125.781 119.914 -0.119 0.000 2.448 297 V HA 0.333 4.448 4.120 -0.008 0.000 0.295 297 V C -0.712 175.485 176.094 0.172 0.000 1.025 297 V CA -0.843 61.502 62.300 0.077 0.000 0.859 297 V CB 1.392 33.179 31.823 -0.060 0.000 0.988 297 V HN 0.688 nan 8.190 nan 0.000 0.431 298 W N 2.455 123.900 121.300 0.243 0.000 2.647 298 W HA 0.677 5.332 4.660 -0.007 0.000 0.353 298 W C 0.676 177.413 176.519 0.363 0.000 1.080 298 W CA 0.108 57.605 57.345 0.254 0.000 1.208 298 W CB 2.148 31.708 29.460 0.167 0.000 1.396 298 W HN 0.989 nan 8.180 nan 0.000 0.573 299 G N 1.277 110.397 108.800 0.535 0.000 2.796 299 G HA2 -0.063 3.892 3.960 -0.008 0.000 0.571 299 G HA3 -0.063 3.892 3.960 -0.008 0.000 0.571 299 G C -0.567 174.374 174.900 0.068 0.000 1.370 299 G CA -0.291 45.032 45.100 0.373 0.000 0.856 299 G HN 0.877 nan 8.290 nan 0.000 0.538 300 S N -1.236 114.256 115.700 -0.346 0.000 2.751 300 S HA 0.837 5.302 4.470 -0.008 0.000 0.310 300 S C 0.740 174.850 174.600 -0.817 0.000 1.128 300 S CA 0.286 58.054 58.200 -0.721 0.000 0.931 300 S CB 1.975 64.483 63.200 -1.155 0.000 1.177 300 S HN 1.827 nan 8.310 nan 0.000 0.530 301 R N -0.199 119.941 120.500 -0.600 0.000 3.875 301 R HA -0.134 4.201 4.340 -0.008 0.000 0.321 301 R C -0.540 175.655 176.300 -0.176 0.000 1.196 301 R CA 0.883 56.758 56.100 -0.374 0.000 0.868 301 R CB -2.540 27.546 30.300 -0.357 0.000 1.333 301 R HN 0.729 nan 8.270 nan 0.000 0.522 302 H N -0.203 118.889 119.070 0.037 0.000 2.603 302 H HA 0.382 4.933 4.556 -0.008 0.000 0.370 302 H C 0.430 175.852 175.328 0.157 0.000 1.225 302 H CA -0.142 55.992 56.048 0.142 0.000 1.410 302 H CB 0.978 30.911 29.762 0.285 0.000 1.495 302 H HN -0.148 nan 8.280 nan 0.000 0.602 303 V N 3.501 123.628 119.914 0.355 0.000 2.380 303 V HA 0.238 4.353 4.120 -0.008 0.000 0.286 303 V C 0.087 176.354 176.094 0.288 0.000 1.015 303 V CA -0.368 62.081 62.300 0.248 0.000 0.834 303 V CB 0.885 32.823 31.823 0.190 0.000 1.009 303 V HN 0.488 nan 8.190 nan 0.000 0.428 304 I N 4.683 125.394 120.570 0.235 0.000 2.437 304 I HA 0.794 4.959 4.170 -0.008 0.000 0.279 304 I C 0.142 176.353 176.117 0.157 0.000 1.028 304 I CA -0.251 61.170 61.300 0.203 0.000 1.142 304 I CB 1.482 39.574 38.000 0.154 0.000 1.266 304 I HN 0.665 nan 8.210 nan 0.000 0.461 305 A N 3.394 126.302 122.820 0.145 0.000 2.539 305 A HA 0.588 4.903 4.320 -0.008 0.000 0.296 305 A C 0.360 177.992 177.584 0.081 0.000 1.073 305 A CA -0.447 51.657 52.037 0.112 0.000 0.700 305 A CB 1.308 20.372 19.000 0.107 0.000 1.296 305 A HN 0.824 nan 8.150 nan 0.000 0.405 306 C N 0.899 120.232 119.300 0.055 0.000 4.259 306 C HA -0.128 4.327 4.460 -0.008 0.000 0.294 306 C C 0.560 175.494 174.990 -0.094 0.000 1.459 306 C CA 0.428 59.452 59.018 0.010 0.000 2.016 306 C CB -3.023 24.740 27.740 0.039 0.000 1.274 306 C HN 0.742 nan 8.230 nan 0.000 0.792 307 N N -0.240 118.397 118.700 -0.105 0.000 2.509 307 N HA 0.472 5.207 4.740 -0.008 0.000 0.287 307 N C -0.631 174.671 175.510 -0.346 0.000 1.121 307 N CA -0.105 52.780 53.050 -0.275 0.000 0.977 307 N CB 1.015 39.378 38.487 -0.206 0.000 1.167 307 N HN 0.561 nan 8.380 nan 0.000 0.476 308 Y N 1.539 121.449 120.300 -0.650 0.000 2.328 308 Y HA 0.430 4.975 4.550 -0.008 0.000 0.336 308 Y C -1.417 174.259 175.900 -0.372 0.000 0.960 308 Y CA -0.882 56.961 58.100 -0.429 0.000 1.134 308 Y CB 0.503 38.729 38.460 -0.391 0.000 1.166 308 Y HN 0.326 nan 8.280 nan 0.000 0.464 309 F N 4.722 124.341 119.950 -0.551 0.000 2.427 309 F HA 0.373 4.895 4.527 -0.008 0.000 0.348 309 F C -0.278 175.329 175.800 -0.321 0.000 1.125 309 F CA -0.774 57.063 58.000 -0.272 0.000 0.989 309 F CB 1.739 40.561 39.000 -0.296 0.000 1.165 309 F HN 0.482 nan 8.300 nan 0.000 0.442 310 E N 5.291 125.539 120.200 0.079 0.000 2.580 310 E HA 0.446 4.791 4.350 -0.008 0.000 0.248 310 E C -1.834 174.887 176.600 0.202 0.000 1.018 310 E CA -0.294 56.181 56.400 0.125 0.000 0.775 310 E CB 0.734 30.570 29.700 0.227 0.000 1.378 310 E HN 0.653 nan 8.360 nan 0.000 0.401 311 L N 3.895 125.220 121.223 0.170 0.000 2.318 311 L HA 0.273 4.608 4.340 -0.008 0.000 0.277 311 L C 1.373 178.279 176.870 0.059 0.000 1.008 311 L CA -0.442 54.494 54.840 0.160 0.000 0.846 311 L CB 1.603 43.757 42.059 0.157 0.000 1.220 311 L HN 0.554 nan 8.230 nan 0.000 0.423 312 S N 0.971 116.749 115.700 0.130 0.000 2.442 312 S HA 0.015 4.480 4.470 -0.008 0.000 0.236 312 S C 0.574 175.121 174.600 -0.087 0.000 1.007 312 S CA 0.643 58.880 58.200 0.061 0.000 0.965 312 S CB 0.010 63.331 63.200 0.201 0.000 0.773 312 S HN 0.620 nan 8.310 nan 0.000 0.504 313 E N 0.802 121.008 120.200 0.009 0.000 2.352 313 E HA 0.399 4.744 4.350 -0.008 0.000 0.280 313 E C -0.871 175.702 176.600 -0.045 0.000 0.930 313 E CA -0.344 56.010 56.400 -0.076 0.000 0.765 313 E CB 2.223 31.869 29.700 -0.090 0.000 1.219 313 E HN 0.417 nan 8.360 nan 0.000 0.434 314 T N -1.625 112.868 114.554 -0.102 0.000 2.938 314 T HA 0.690 5.035 4.350 -0.008 0.000 0.285 314 T C 0.628 175.326 174.700 -0.004 0.000 1.028 314 T CA -0.791 61.283 62.100 -0.043 0.000 1.005 314 T CB 0.763 69.554 68.868 -0.129 0.000 1.157 314 T HN 0.331 nan 8.240 nan 0.000 0.550 315 I N 2.068 122.688 120.570 0.084 0.000 2.322 315 I HA 0.236 4.402 4.170 -0.008 0.000 0.292 315 I C 1.823 177.994 176.117 0.090 0.000 1.060 315 I CA -0.573 60.772 61.300 0.075 0.000 1.309 315 I CB 0.950 38.997 38.000 0.078 0.000 1.415 315 I HN 0.822 nan 8.210 nan 0.000 0.492 316 K N 4.142 124.581 120.400 0.064 0.000 2.044 316 K HA -0.233 4.082 4.320 -0.008 0.000 0.210 316 K C 2.134 178.781 176.600 0.080 0.000 1.049 316 K CA 2.266 58.604 56.287 0.085 0.000 0.927 316 K CB 0.029 32.571 32.500 0.070 0.000 0.713 316 K HN 0.762 nan 8.250 nan 0.000 0.443 317 S N 0.214 115.939 115.700 0.041 0.000 2.419 317 S HA -0.085 4.381 4.470 -0.008 0.000 0.233 317 S C 1.770 176.363 174.600 -0.012 0.000 1.016 317 S CA 0.614 58.823 58.200 0.015 0.000 0.974 317 S CB -0.180 63.015 63.200 -0.008 0.000 0.786 317 S HN 0.286 nan 8.310 nan 0.000 0.492 318 R N 0.817 121.295 120.500 -0.037 0.000 2.210 318 R HA 0.296 4.631 4.340 -0.008 0.000 0.203 318 R C 1.744 178.039 176.300 -0.008 0.000 1.010 318 R CA 0.812 56.816 56.100 -0.160 0.000 1.008 318 R CB -0.693 29.290 30.300 -0.528 0.000 0.923 318 R HN 0.667 nan 8.270 nan 0.000 0.469 319 G N 0.693 109.617 108.800 0.207 0.000 2.234 319 G HA2 -0.186 3.769 3.960 -0.008 0.000 0.153 319 G HA3 -0.186 3.769 3.960 -0.008 0.000 0.153 319 G C -0.331 174.869 174.900 0.499 0.000 1.013 319 G CA -0.326 45.002 45.100 0.380 0.000 0.712 319 G HN 0.170 nan 8.290 nan 0.000 0.491 320 N N -0.428 118.476 118.700 0.340 0.000 2.648 320 N HA -0.011 4.725 4.740 -0.008 0.000 0.265 320 N C 0.151 175.583 175.510 -0.130 0.000 1.100 320 N CA 1.615 54.691 53.050 0.045 0.000 0.715 320 N CB -1.177 37.219 38.487 -0.152 0.000 0.881 320 N HN 1.930 nan 8.380 nan 0.000 0.548 321 A N -0.770 121.935 122.820 -0.191 0.000 2.583 321 A HA 0.896 5.212 4.320 -0.008 0.000 0.289 321 A C 0.561 177.764 177.584 -0.635 0.000 1.151 321 A CA 0.115 51.831 52.037 -0.535 0.000 0.695 321 A CB 0.765 19.338 19.000 -0.712 0.000 1.290 321 A HN 0.309 nan 8.150 nan 0.000 0.419 322 A N -0.544 121.963 122.820 -0.522 0.000 1.871 322 A HA 0.484 4.800 4.320 -0.008 0.000 0.211 322 A C 0.531 177.742 177.584 -0.621 0.000 1.207 322 A CA 1.371 53.166 52.037 -0.404 0.000 0.620 322 A CB -0.317 18.513 19.000 -0.283 0.000 0.860 322 A HN 1.485 nan 8.150 nan 0.000 0.450 323 L N -0.006 120.784 121.223 -0.722 0.000 2.325 323 L HA 0.602 4.938 4.340 -0.008 0.000 0.281 323 L C -1.929 174.519 176.870 -0.705 0.000 1.004 323 L CA -0.811 53.657 54.840 -0.621 0.000 0.823 323 L CB 1.173 42.942 42.059 -0.484 0.000 1.236 323 L HN 0.289 nan 8.230 nan 0.000 0.415 324 Y N 5.633 125.582 120.300 -0.584 0.000 2.331 324 Y HA 0.552 5.097 4.550 -0.008 0.000 0.338 324 Y C -0.392 174.942 175.900 -0.943 0.000 0.976 324 Y CA -0.670 56.905 58.100 -0.874 0.000 1.137 324 Y CB 1.374 38.954 38.460 -1.466 0.000 1.172 324 Y HN 0.379 nan 8.280 nan 0.000 0.478 325 L N 3.814 124.691 121.223 -0.577 0.000 2.276 325 L HA 0.336 4.672 4.340 -0.008 0.000 0.286 325 L C -0.167 176.477 176.870 -0.378 0.000 1.024 325 L CA -0.737 53.852 54.840 -0.419 0.000 0.826 325 L CB 0.983 42.862 42.059 -0.299 0.000 1.211 325 L HN 0.631 nan 8.230 nan 0.000 0.422 326 N N 5.815 124.280 118.700 -0.391 0.000 2.447 326 N HA 0.126 4.861 4.740 -0.008 0.000 0.263 326 N C -2.409 173.028 175.510 -0.122 0.000 1.226 326 N CA -0.595 52.282 53.050 -0.288 0.000 0.906 326 N CB 0.765 38.974 38.487 -0.464 0.000 1.060 326 N HN 0.263 nan 8.380 nan 0.000 0.468 327 P HA 0.497 nan 4.420 nan 0.000 0.287 327 P C -0.240 177.007 177.300 -0.089 0.000 1.270 327 P CA -0.308 62.696 63.100 -0.160 0.000 0.844 327 P CB 1.929 33.560 31.700 -0.116 0.000 1.068 328 G N 0.045 108.665 108.800 -0.300 0.000 2.356 328 G HA2 0.418 4.374 3.960 -0.008 0.000 0.266 328 G HA3 0.418 4.374 3.960 -0.008 0.000 0.266 328 G C -1.713 173.175 174.900 -0.020 0.000 1.312 328 G CA -0.103 45.002 45.100 0.009 0.000 0.922 328 G HN 0.532 nan 8.290 nan 0.000 0.480 329 A N -0.004 122.932 122.820 0.193 0.000 2.309 329 A HA 0.701 5.016 4.320 -0.008 0.000 0.298 329 A C 0.522 178.189 177.584 0.138 0.000 1.165 329 A CA 0.007 52.131 52.037 0.145 0.000 0.821 329 A CB 0.766 19.898 19.000 0.220 0.000 1.102 329 A HN 1.337 nan 8.150 nan 0.000 0.500 330 M N 3.058 122.684 119.600 0.043 0.000 2.260 330 M HA 0.327 4.802 4.480 -0.008 0.000 0.348 330 M C 1.019 177.405 176.300 0.144 0.000 1.342 330 M CA 1.434 56.769 55.300 0.057 0.000 1.040 330 M CB 0.032 32.582 32.600 -0.085 0.000 1.810 330 M HN 1.932 nan 8.290 nan 0.000 0.453 331 A N 2.896 125.844 122.820 0.213 0.000 2.798 331 A HA -0.192 4.124 4.320 -0.008 0.000 0.282 331 A C 0.487 178.179 177.584 0.181 0.000 1.464 331 A CA 1.181 53.334 52.037 0.193 0.000 0.844 331 A CB -2.657 16.432 19.000 0.148 0.000 1.006 331 A HN 1.104 nan 8.150 nan 0.000 0.577 332 S N -1.632 114.206 115.700 0.230 0.000 2.647 332 S HA 0.585 5.050 4.470 -0.008 0.000 0.284 332 S C 0.912 175.656 174.600 0.239 0.000 1.134 332 S CA 0.390 58.748 58.200 0.263 0.000 1.027 332 S CB 0.879 64.325 63.200 0.410 0.000 1.180 332 S HN 0.806 nan 8.310 nan 0.000 0.521 333 E N 0.083 120.421 120.200 0.230 0.000 2.268 333 E HA -0.128 4.217 4.350 -0.008 0.000 0.195 333 E C 0.039 176.516 176.600 -0.205 0.000 0.995 333 E CA 1.269 57.705 56.400 0.059 0.000 0.836 333 E CB -0.114 29.593 29.700 0.012 0.000 0.763 333 E HN 0.662 nan 8.360 nan 0.000 0.491 334 H N -0.227 118.842 119.070 -0.002 0.000 2.379 334 H HA 0.436 4.987 4.556 -0.008 0.000 0.229 334 H C -0.952 174.607 175.328 0.386 0.000 1.423 334 H CA -0.114 56.038 56.048 0.173 0.000 1.375 334 H CB 0.276 30.024 29.762 -0.023 0.000 1.592 334 H HN 0.162 nan 8.280 nan 0.000 0.507 335 A N 2.263 125.371 122.820 0.479 0.000 2.546 335 A HA 0.055 4.370 4.320 -0.008 0.000 0.243 335 A C 0.616 178.448 177.584 0.414 0.000 1.063 335 A CA -0.321 51.964 52.037 0.414 0.000 0.757 335 A CB 0.015 19.235 19.000 0.366 0.000 0.991 335 A HN 0.585 nan 8.150 nan 0.000 0.503 336 L N 2.904 124.297 121.223 0.284 0.000 2.559 336 L HA 0.315 4.650 4.340 -0.008 0.000 0.282 336 L C 0.701 177.764 176.870 0.321 0.000 1.232 336 L CA 0.951 55.909 54.840 0.197 0.000 0.885 336 L CB 0.253 42.343 42.059 0.052 0.000 1.131 336 L HN 0.811 nan 8.230 nan 0.000 0.498 337 A N 6.643 129.587 122.820 0.206 0.000 2.279 337 A HA 0.619 4.934 4.320 -0.008 0.000 0.306 337 A C -0.701 177.006 177.584 0.206 0.000 1.300 337 A CA -0.268 51.888 52.037 0.198 0.000 0.925 337 A CB -0.574 18.469 19.000 0.072 0.000 1.152 337 A HN 0.840 nan 8.150 nan 0.000 0.544 338 F N -0.025 119.862 119.950 -0.105 0.000 2.741 338 F HA 0.607 5.129 4.527 -0.009 0.000 0.313 338 F C -0.409 175.274 175.800 -0.195 0.000 1.153 338 F CA -1.018 56.831 58.000 -0.251 0.000 0.931 338 F CB 0.600 39.276 39.000 -0.540 0.000 1.335 338 F HN 0.536 nan 8.300 nan 0.000 0.460 339 D N 1.656 121.844 120.400 -0.355 0.000 2.904 339 D HA -0.180 4.455 4.640 -0.008 0.000 0.231 339 D C -0.890 175.213 176.300 -0.329 0.000 1.185 339 D CA 1.812 55.586 54.000 -0.376 0.000 0.783 339 D CB -0.526 39.929 40.800 -0.576 0.000 0.961 339 D HN 0.953 nan 8.370 nan 0.000 0.409 340 M N -0.974 118.522 119.600 -0.174 0.000 2.683 340 M HA 0.622 5.097 4.480 -0.008 0.000 0.274 340 M C -1.593 174.689 176.300 -0.030 0.000 1.272 340 M CA -1.454 53.795 55.300 -0.086 0.000 0.833 340 M CB 1.596 34.196 32.600 0.001 0.000 1.708 340 M HN 0.001 nan 8.290 nan 0.000 0.463 341 L N 2.358 123.595 121.223 0.023 0.000 2.272 341 L HA 0.655 4.991 4.340 -0.008 0.000 0.289 341 L C -1.642 175.267 176.870 0.064 0.000 1.032 341 L CA -0.303 54.556 54.840 0.031 0.000 0.810 341 L CB 1.091 43.178 42.059 0.045 0.000 1.205 341 L HN 0.726 nan 8.230 nan 0.000 0.422 342 I N 6.014 126.607 120.570 0.039 0.000 2.437 342 I HA 0.653 4.818 4.170 -0.008 0.000 0.279 342 I C -0.344 175.824 176.117 0.084 0.000 1.028 342 I CA -0.278 61.064 61.300 0.071 0.000 1.142 342 I CB 1.261 39.282 38.000 0.036 0.000 1.266 342 I HN 0.777 nan 8.210 nan 0.000 0.461 343 A N 4.207 127.089 122.820 0.104 0.000 2.414 343 A HA 0.635 4.951 4.320 -0.008 0.000 0.306 343 A C 0.317 177.967 177.584 0.111 0.000 1.054 343 A CA -0.536 51.564 52.037 0.105 0.000 0.724 343 A CB 0.995 20.045 19.000 0.084 0.000 1.267 343 A HN 0.686 nan 8.150 nan 0.000 0.418 344 N N 0.623 119.400 118.700 0.128 0.000 2.693 344 N HA -0.146 4.590 4.740 -0.008 0.000 0.249 344 N C -0.216 175.355 175.510 0.101 0.000 1.119 344 N CA 1.353 54.489 53.050 0.143 0.000 0.717 344 N CB -1.241 37.312 38.487 0.110 0.000 1.071 344 N HN 0.786 nan 8.380 nan 0.000 0.555 345 N N 0.397 119.132 118.700 0.058 0.000 2.463 345 N HA 0.574 5.310 4.740 -0.008 0.000 0.270 345 N C 0.125 175.529 175.510 -0.176 0.000 1.205 345 N CA 0.117 53.135 53.050 -0.053 0.000 0.974 345 N CB 1.247 39.709 38.487 -0.043 0.000 1.197 345 N HN 0.244 nan 8.380 nan 0.000 0.504 346 A N 0.996 123.630 122.820 -0.311 0.000 2.374 346 A HA 0.653 4.969 4.320 -0.008 0.000 0.305 346 A C -1.500 175.763 177.584 -0.535 0.000 1.053 346 A CA -0.609 51.233 52.037 -0.325 0.000 0.726 346 A CB 0.365 19.297 19.000 -0.113 0.000 1.229 346 A HN 0.513 nan 8.150 nan 0.000 0.431 347 F N 3.571 123.387 119.950 -0.223 0.000 2.366 347 F HA 0.458 4.980 4.527 -0.008 0.000 0.366 347 F C -0.178 175.600 175.800 -0.036 0.000 1.096 347 F CA -0.703 57.234 58.000 -0.105 0.000 1.060 347 F CB 1.466 40.426 39.000 -0.066 0.000 1.282 347 F HN 0.278 nan 8.300 nan 0.000 0.450 348 I N 4.143 124.732 120.570 0.033 0.000 2.354 348 I HA 0.223 4.389 4.170 -0.008 0.000 0.286 348 I C 0.128 176.372 176.117 0.211 0.000 1.007 348 I CA -0.776 60.625 61.300 0.169 0.000 1.167 348 I CB 0.882 38.946 38.000 0.107 0.000 1.320 348 I HN 0.557 nan 8.210 nan 0.000 0.458 349 N N 3.482 122.328 118.700 0.243 0.000 2.725 349 N HA -0.143 4.593 4.740 -0.008 0.000 0.251 349 N C -0.374 175.321 175.510 0.308 0.000 1.031 349 N CA 0.411 53.634 53.050 0.288 0.000 0.720 349 N CB -0.792 37.870 38.487 0.292 0.000 0.930 349 N HN 0.329 nan 8.380 nan 0.000 0.543 350 V N 1.264 121.298 119.914 0.200 0.000 2.488 350 V HA 0.069 4.185 4.120 -0.008 0.000 0.277 350 V C 1.117 177.116 176.094 -0.157 0.000 1.046 350 V CA -0.516 61.808 62.300 0.040 0.000 0.986 350 V CB 1.458 33.322 31.823 0.068 0.000 0.989 350 V HN 0.300 nan 8.190 nan 0.000 0.475 351 N N 4.280 122.678 118.700 -0.503 0.000 3.124 351 N HA 0.478 5.213 4.740 -0.008 0.000 0.284 351 N C -0.004 175.149 175.510 -0.594 0.000 1.209 351 N CA 0.809 53.383 53.050 -0.793 0.000 1.149 351 N CB 0.139 37.880 38.487 -1.245 0.000 1.434 351 N HN 0.950 nan 8.380 nan 0.000 0.529 352 G N 0.571 108.952 108.800 -0.698 0.000 2.327 352 G HA2 0.100 4.055 3.960 -0.008 0.000 0.291 352 G HA3 0.100 4.055 3.960 -0.008 0.000 0.291 352 G C -1.706 172.707 174.900 -0.812 0.000 1.290 352 G CA -0.946 43.318 45.100 -1.393 0.000 0.857 352 G HN 0.125 nan 8.290 nan 0.000 0.520 353 Y N 0.752 120.766 120.300 -0.478 0.000 2.480 353 Y HA 0.420 4.965 4.550 -0.008 0.000 0.338 353 Y C 1.821 177.538 175.900 -0.304 0.000 1.220 353 Y CA 0.741 58.679 58.100 -0.270 0.000 1.430 353 Y CB 1.161 39.489 38.460 -0.221 0.000 1.311 353 Y HN 0.757 nan 8.280 nan 0.000 0.575 354 A N 3.289 126.026 122.820 -0.139 0.000 1.873 354 A HA 0.067 4.382 4.320 -0.008 0.000 0.215 354 A C 0.536 177.801 177.584 -0.532 0.000 1.186 354 A CA 1.216 53.033 52.037 -0.367 0.000 0.616 354 A CB -0.323 18.384 19.000 -0.490 0.000 0.823 354 A HN 0.660 nan 8.150 nan 0.000 0.442 355 I N -1.105 119.294 120.570 -0.285 0.000 2.533 355 I HA 0.275 4.440 4.170 -0.008 0.000 0.290 355 I C -0.933 174.999 176.117 -0.309 0.000 1.056 355 I CA -0.641 60.417 61.300 -0.403 0.000 1.057 355 I CB 1.956 39.648 38.000 -0.514 0.000 1.240 355 I HN 0.234 nan 8.210 nan 0.000 0.423 356 H N 6.293 125.042 119.070 -0.536 0.000 2.541 356 H HA 0.357 4.908 4.556 -0.008 0.000 0.316 356 H C -0.550 174.540 175.328 -0.397 0.000 1.043 356 H CA -0.656 55.174 56.048 -0.363 0.000 1.232 356 H CB 1.129 30.724 29.762 -0.278 0.000 1.406 356 H HN 0.468 nan 8.280 nan 0.000 0.469 357 F N 3.145 123.184 119.950 0.149 0.000 2.797 357 F HA 0.074 4.596 4.527 -0.008 0.000 0.302 357 F C 1.090 176.978 175.800 0.147 0.000 1.130 357 F CA 0.123 58.184 58.000 0.100 0.000 1.387 357 F CB 0.315 39.361 39.000 0.077 0.000 1.107 357 F HN 0.572 nan 8.300 nan 0.000 0.577 358 N N -1.083 117.888 118.700 0.452 0.000 2.570 358 N HA 0.088 4.823 4.740 -0.008 0.000 0.261 358 N C -3.366 172.224 175.510 0.133 0.000 1.540 358 N CA -0.860 52.362 53.050 0.286 0.000 0.959 358 N CB 0.045 38.803 38.487 0.451 0.000 1.449 358 N HN -0.067 nan 8.380 nan 0.000 0.519 359 P HA 0.083 nan 4.420 nan 0.000 0.269 359 P C 0.991 178.257 177.300 -0.057 0.000 1.209 359 P CA 0.103 62.920 63.100 -0.473 0.000 0.776 359 P CB 1.014 32.375 31.700 -0.566 0.000 0.876 360 L N -0.098 121.123 121.223 -0.004 0.000 3.839 360 L HA -0.269 4.066 4.340 -0.008 0.000 0.416 360 L C 1.358 178.274 176.870 0.076 0.000 1.195 360 L CA 0.844 55.704 54.840 0.032 0.000 0.946 360 L CB -1.817 40.241 42.059 -0.002 0.000 1.891 360 L HN 0.477 nan 8.230 nan 0.000 0.963 361 D N 0.099 120.584 120.400 0.142 0.000 2.178 361 D HA -0.198 4.437 4.640 -0.008 0.000 0.201 361 D C 1.465 177.796 176.300 0.051 0.000 0.980 361 D CA 1.761 55.885 54.000 0.207 0.000 0.842 361 D CB 0.084 41.108 40.800 0.373 0.000 0.948 361 D HN 0.590 nan 8.370 nan 0.000 0.472 362 E N 0.620 120.843 120.200 0.038 0.000 2.077 362 E HA -0.086 4.259 4.350 -0.008 0.000 0.193 362 E C 2.369 178.956 176.600 -0.021 0.000 0.989 362 E CA 1.084 57.474 56.400 -0.017 0.000 0.800 362 E CB -0.115 29.590 29.700 0.008 0.000 0.746 362 E HN 0.368 nan 8.360 nan 0.000 0.452 363 R N 0.318 120.821 120.500 0.004 0.000 2.092 363 R HA 0.033 4.368 4.340 -0.008 0.000 0.231 363 R C 2.163 178.487 176.300 0.040 0.000 1.119 363 R CA 0.807 56.911 56.100 0.007 0.000 0.970 363 R CB -0.167 30.117 30.300 -0.026 0.000 0.864 363 R HN 0.016 nan 8.270 nan 0.000 0.440 364 R N 1.367 121.905 120.500 0.063 0.000 2.115 364 R HA -0.042 4.294 4.340 -0.008 0.000 0.230 364 R C 1.923 178.346 176.300 0.203 0.000 1.111 364 R CA 1.175 57.394 56.100 0.198 0.000 0.976 364 R CB -0.230 30.275 30.300 0.343 0.000 0.870 364 R HN 0.291 nan 8.270 nan 0.000 0.445 365 K N 0.677 121.018 120.400 -0.099 0.000 2.097 365 K HA -0.117 4.198 4.320 -0.008 0.000 0.205 365 K C 2.005 178.573 176.600 -0.054 0.000 1.050 365 K CA 1.040 57.166 56.287 -0.268 0.000 0.938 365 K CB 0.025 32.239 32.500 -0.476 0.000 0.718 365 K HN 0.262 nan 8.250 nan 0.000 0.442 366 E N -0.175 120.024 120.200 -0.002 0.000 2.051 366 E HA -0.219 4.126 4.350 -0.008 0.000 0.192 366 E C 1.860 178.510 176.600 0.083 0.000 0.991 366 E CA 1.180 57.598 56.400 0.031 0.000 0.799 366 E CB -0.117 29.606 29.700 0.039 0.000 0.748 366 E HN 0.304 nan 8.360 nan 0.000 0.449 367 Y N 0.617 120.942 120.300 0.042 0.000 2.181 367 Y HA -0.282 4.263 4.550 -0.008 0.000 0.288 367 Y C 2.174 178.134 175.900 0.099 0.000 1.146 367 Y CA 1.351 59.504 58.100 0.088 0.000 1.164 367 Y CB -0.470 38.072 38.460 0.138 0.000 0.982 367 Y HN 0.072 nan 8.280 nan 0.000 0.515 368 C N 0.400 119.717 119.300 0.029 0.000 2.446 368 C HA -0.034 4.421 4.460 -0.008 0.000 0.277 368 C C 3.076 178.014 174.990 -0.087 0.000 1.275 368 C CA 1.057 60.044 59.018 -0.051 0.000 1.727 368 C CB -1.717 26.135 27.740 0.186 0.000 2.010 368 C HN 0.749 nan 8.230 nan 0.000 0.486 369 A N 0.649 123.442 122.820 -0.045 0.000 1.902 369 A HA 0.058 4.373 4.320 -0.008 0.000 0.217 369 A C 2.366 179.911 177.584 -0.066 0.000 1.181 369 A CA 2.037 54.048 52.037 -0.044 0.000 0.623 369 A CB -0.900 18.081 19.000 -0.032 0.000 0.818 369 A HN 0.562 nan 8.150 nan 0.000 0.443 370 A N 0.007 122.778 122.820 -0.082 0.000 1.933 370 A HA -0.156 4.160 4.320 -0.008 0.000 0.218 370 A C 1.732 179.247 177.584 -0.115 0.000 1.175 370 A CA 1.583 53.573 52.037 -0.078 0.000 0.628 370 A CB -0.446 18.523 19.000 -0.052 0.000 0.814 370 A HN 0.577 nan 8.150 nan 0.000 0.444 371 N N -1.254 117.322 118.700 -0.206 0.000 2.280 371 N HA 0.045 4.780 4.740 -0.008 0.000 0.192 371 N C 0.080 175.511 175.510 -0.131 0.000 1.109 371 N CA 0.272 53.204 53.050 -0.197 0.000 0.855 371 N CB 0.242 38.520 38.487 -0.349 0.000 0.974 371 N HN 0.491 nan 8.380 nan 0.000 0.482 372 R N 0.857 121.296 120.500 -0.102 0.000 3.336 372 R HA -0.144 4.191 4.340 -0.008 0.000 0.260 372 R C -1.024 175.247 176.300 -0.048 0.000 1.032 372 R CA 0.349 56.415 56.100 -0.058 0.000 0.693 372 R CB -1.742 28.533 30.300 -0.042 0.000 1.134 372 R HN 0.219 nan 8.270 nan 0.000 0.433 373 L N 0.220 121.410 121.223 -0.056 0.000 2.332 373 L HA 0.450 4.785 4.340 -0.008 0.000 0.269 373 L C 0.486 177.377 176.870 0.036 0.000 1.016 373 L CA -0.961 53.870 54.840 -0.015 0.000 0.809 373 L CB 1.434 43.478 42.059 -0.026 0.000 1.280 373 L HN 0.064 nan 8.230 nan 0.000 0.447 374 K N 1.548 121.977 120.400 0.048 0.000 2.267 374 K HA 0.234 4.549 4.320 -0.008 0.000 0.282 374 K C -0.927 175.733 176.600 0.101 0.000 1.078 374 K CA -0.456 55.868 56.287 0.062 0.000 0.903 374 K CB 0.536 33.044 32.500 0.014 0.000 1.111 374 K HN 0.365 nan 8.250 nan 0.000 0.475 375 F N 4.367 124.319 119.950 0.003 0.000 2.467 375 F HA 0.164 4.686 4.527 -0.009 0.000 0.362 375 F C -0.351 175.428 175.800 -0.036 0.000 1.090 375 F CA 0.381 58.384 58.000 0.005 0.000 1.202 375 F CB 0.624 39.629 39.000 0.008 0.000 1.113 375 F HN 0.600 nan 8.300 nan 0.000 0.541 376 E N 2.424 122.162 120.200 -0.769 0.000 2.433 376 E HA 0.470 4.815 4.350 -0.008 0.000 0.273 376 E C -1.115 174.968 176.600 -0.861 0.000 0.950 376 E CA -1.147 54.890 56.400 -0.605 0.000 0.796 376 E CB 2.152 31.668 29.700 -0.306 0.000 1.330 376 E HN 0.571 nan 8.360 nan 0.000 0.455 377 T N -1.905 112.353 114.554 -0.494 0.000 2.908 377 T HA 0.467 4.812 4.350 -0.008 0.000 0.290 377 T C -2.817 171.854 174.700 -0.048 0.000 1.034 377 T CA -2.550 59.323 62.100 -0.379 0.000 1.010 377 T CB 1.391 69.987 68.868 -0.454 0.000 1.068 377 T HN 0.051 nan 8.240 nan 0.000 0.481 378 P HA 0.079 nan 4.420 nan 0.000 0.259 378 P C -0.283 177.115 177.300 0.163 0.000 1.163 378 P CA 0.505 63.664 63.100 0.099 0.000 0.760 378 P CB -0.011 31.778 31.700 0.148 0.000 0.762 379 H N 1.210 120.324 119.070 0.073 0.000 2.960 379 H HA 0.340 4.891 4.556 -0.008 0.000 0.323 379 H C -0.386 174.998 175.328 0.092 0.000 1.326 379 H CA -0.889 55.178 56.048 0.032 0.000 1.124 379 H CB 0.882 30.627 29.762 -0.028 0.000 1.853 379 H HN 0.348 nan 8.280 nan 0.000 0.536 380 Q N 0.252 120.125 119.800 0.120 0.000 2.494 380 Q HA -0.150 4.185 4.340 -0.008 0.000 0.266 380 Q C -0.747 175.234 176.000 -0.031 0.000 1.053 380 Q CA 0.654 56.490 55.803 0.055 0.000 1.029 380 Q CB -1.167 27.629 28.738 0.096 0.000 1.423 380 Q HN 0.460 nan 8.270 nan 0.000 0.516 381 L N 0.775 121.968 121.223 -0.051 0.000 2.326 381 L HA 0.335 4.670 4.340 -0.008 0.000 0.278 381 L C 0.499 177.281 176.870 -0.146 0.000 1.092 381 L CA -0.259 54.524 54.840 -0.094 0.000 0.810 381 L CB 0.643 42.652 42.059 -0.084 0.000 1.153 381 L HN 0.034 nan 8.230 nan 0.000 0.439 382 M N 5.367 124.895 119.600 -0.122 0.000 2.055 382 M HA 0.352 4.827 4.480 -0.008 0.000 0.346 382 M C -0.852 175.364 176.300 -0.139 0.000 1.074 382 M CA -0.420 54.812 55.300 -0.113 0.000 1.009 382 M CB 0.807 33.378 32.600 -0.049 0.000 1.423 382 M HN 0.393 nan 8.290 nan 0.000 0.410 383 L N 4.757 125.824 121.223 -0.259 0.000 2.272 383 L HA 0.395 4.730 4.340 -0.008 0.000 0.284 383 L C 0.129 176.993 176.870 -0.010 0.000 1.045 383 L CA 0.052 54.753 54.840 -0.232 0.000 0.842 383 L CB 0.378 42.005 42.059 -0.721 0.000 1.224 383 L HN 0.482 nan 8.230 nan 0.000 0.430 384 K N 2.180 122.620 120.400 0.067 0.000 2.345 384 K HA 0.577 4.893 4.320 -0.008 0.000 0.255 384 K C 0.666 177.362 176.600 0.160 0.000 0.934 384 K CA -0.630 55.728 56.287 0.119 0.000 0.801 384 K CB 2.043 34.591 32.500 0.079 0.000 1.137 384 K HN 0.628 nan 8.250 nan 0.000 0.424 385 G N 2.462 111.385 108.800 0.206 0.000 2.225 385 G HA2 -0.261 3.694 3.960 -0.008 0.000 0.267 385 G HA3 -0.261 3.694 3.960 -0.008 0.000 0.267 385 G C -0.262 174.845 174.900 0.345 0.000 1.024 385 G CA -0.090 45.159 45.100 0.249 0.000 0.784 385 G HN 0.676 nan 8.290 nan 0.000 0.507 386 N N -0.542 118.317 118.700 0.266 0.000 2.524 386 N HA 0.512 5.247 4.740 -0.008 0.000 0.283 386 N C -0.303 175.074 175.510 -0.222 0.000 1.142 386 N CA -0.400 52.663 53.050 0.021 0.000 0.984 386 N CB 1.972 40.420 38.487 -0.065 0.000 1.155 386 N HN 0.276 nan 8.380 nan 0.000 0.467 387 L N 2.171 123.067 121.223 -0.544 0.000 2.313 387 L HA 0.542 4.877 4.340 -0.008 0.000 0.283 387 L C -1.602 174.885 176.870 -0.639 0.000 1.013 387 L CA -0.352 54.090 54.840 -0.664 0.000 0.816 387 L CB 0.308 41.815 42.059 -0.920 0.000 1.236 387 L HN 0.311 nan 8.230 nan 0.000 0.419 388 F N 6.552 126.401 119.950 -0.168 0.000 2.427 388 F HA 0.562 5.084 4.527 -0.008 0.000 0.348 388 F C -0.606 175.007 175.800 -0.310 0.000 1.125 388 F CA -0.456 57.260 58.000 -0.473 0.000 0.989 388 F CB 1.443 39.706 39.000 -1.227 0.000 1.165 388 F HN 0.384 nan 8.300 nan 0.000 0.442 389 F N 4.147 124.122 119.950 0.042 0.000 2.591 389 F HA 0.667 5.189 4.527 -0.008 0.000 0.309 389 F C -1.434 174.595 175.800 0.382 0.000 1.098 389 F CA -0.972 57.174 58.000 0.243 0.000 0.937 389 F CB 1.825 40.882 39.000 0.096 0.000 1.250 389 F HN 0.404 nan 8.300 nan 0.000 0.447 390 K N 3.835 123.820 120.400 -0.691 0.000 2.550 390 K HA 0.359 4.674 4.320 -0.008 0.000 0.252 390 K C -1.609 174.488 176.600 -0.839 0.000 0.943 390 K CA -0.451 55.490 56.287 -0.577 0.000 0.806 390 K CB 1.490 33.871 32.500 -0.199 0.000 1.289 390 K HN 0.719 nan 8.250 nan 0.000 0.435 391 D N 3.001 123.033 120.400 -0.614 0.000 2.562 391 D HA 0.146 4.782 4.640 -0.008 0.000 0.246 391 D C -0.685 175.479 176.300 -0.226 0.000 1.347 391 D CA -0.209 53.584 54.000 -0.346 0.000 0.800 391 D CB 0.412 41.124 40.800 -0.148 0.000 1.111 391 D HN 0.301 nan 8.370 nan 0.000 0.508 392 K N 1.250 121.470 120.400 -0.300 0.000 2.156 392 K HA 0.369 4.684 4.320 -0.008 0.000 0.250 392 K C -2.095 174.224 176.600 -0.469 0.000 0.955 392 K CA -1.990 54.042 56.287 -0.425 0.000 0.855 392 K CB 2.109 34.192 32.500 -0.696 0.000 1.101 392 K HN -0.207 nan 8.250 nan 0.000 0.434 393 P HA -0.089 nan 4.420 nan 0.000 0.269 393 P C -0.698 176.491 177.300 -0.185 0.000 1.376 393 P CA 0.352 63.293 63.100 -0.265 0.000 0.775 393 P CB -0.126 31.465 31.700 -0.181 0.000 1.345 394 Y N 0.416 120.676 120.300 -0.066 0.000 2.511 394 Y HA -0.010 4.535 4.550 -0.008 0.000 0.347 394 Y C 2.156 177.993 175.900 -0.106 0.000 1.257 394 Y CA -0.617 57.457 58.100 -0.043 0.000 1.469 394 Y CB 0.116 38.579 38.460 0.005 0.000 1.353 394 Y HN -0.202 nan 8.280 nan 0.000 0.617 395 V N -1.656 118.267 119.914 0.016 0.000 3.650 395 V HA 0.154 4.269 4.120 -0.008 0.000 0.271 395 V C -0.203 175.710 176.094 -0.302 0.000 1.281 395 V CA -0.035 62.148 62.300 -0.196 0.000 1.120 395 V CB -1.213 30.436 31.823 -0.290 0.000 0.856 395 V HN 0.520 nan 8.190 nan 0.000 0.443 396 Y N 3.575 123.731 120.300 -0.239 0.000 2.377 396 Y HA 0.541 5.086 4.550 -0.008 0.000 0.330 396 Y C -1.695 173.979 175.900 -0.376 0.000 1.108 396 Y CA -2.691 55.177 58.100 -0.388 0.000 1.308 396 Y CB 0.196 38.284 38.460 -0.620 0.000 1.216 396 Y HN 0.153 nan 8.280 nan 0.000 0.518 397 P HA 0.014 nan 4.420 nan 0.000 0.273 397 P C 0.246 177.415 177.300 -0.218 0.000 1.250 397 P CA -0.102 62.864 63.100 -0.223 0.000 0.793 397 P CB 0.797 32.461 31.700 -0.061 0.000 1.011 398 F N -0.709 119.027 119.950 -0.355 0.000 2.216 398 F HA 0.010 4.532 4.527 -0.008 0.000 0.300 398 F C 1.149 176.442 175.800 -0.844 0.000 1.085 398 F CA 1.526 59.064 58.000 -0.770 0.000 1.326 398 F CB -0.648 37.496 39.000 -1.427 0.000 1.027 398 F HN 0.092 nan 8.300 nan 0.000 0.497 399 F N -0.697 119.378 119.950 0.208 0.000 2.577 399 F HA 0.486 5.008 4.527 -0.008 0.000 0.318 399 F C -0.137 175.644 175.800 -0.031 0.000 1.065 399 F CA -1.825 56.261 58.000 0.142 0.000 0.929 399 F CB 1.490 40.599 39.000 0.182 0.000 1.237 399 F HN -0.469 nan 8.300 nan 0.000 0.468 400 K N 1.676 122.025 120.400 -0.085 0.000 2.535 400 K HA 0.415 4.731 4.320 -0.008 0.000 0.253 400 K C -1.988 174.567 176.600 -0.074 0.000 0.953 400 K CA -0.392 55.597 56.287 -0.496 0.000 0.863 400 K CB 1.115 32.645 32.500 -1.618 0.000 1.111 400 K HN 0.634 nan 8.250 nan 0.000 0.431 401 D N 3.798 124.210 120.400 0.019 0.000 2.330 401 D HA 0.138 4.774 4.640 -0.008 0.000 0.249 401 D C -0.350 176.018 176.300 0.114 0.000 1.306 401 D CA -0.309 53.781 54.000 0.149 0.000 0.956 401 D CB 1.226 42.053 40.800 0.045 0.000 1.261 401 D HN 0.555 nan 8.370 nan 0.000 0.544 402 D N 1.639 122.104 120.400 0.107 0.000 2.371 402 D HA -0.089 4.546 4.640 -0.008 0.000 0.221 402 D C 0.243 176.397 176.300 -0.243 0.000 0.986 402 D CA 0.707 54.648 54.000 -0.098 0.000 0.899 402 D CB 0.427 41.100 40.800 -0.213 0.000 0.902 402 D HN 0.528 nan 8.370 nan 0.000 0.530 403 Y N -0.578 119.784 120.300 0.104 0.000 2.713 403 Y HA 0.189 4.735 4.550 -0.007 0.000 0.269 403 Y C 0.048 175.970 175.900 0.038 0.000 1.106 403 Y CA -1.082 57.066 58.100 0.080 0.000 1.174 403 Y CB -0.401 38.112 38.460 0.088 0.000 1.186 403 Y HN -0.219 nan 8.280 nan 0.000 0.555 404 F N 2.482 122.458 119.950 0.043 0.000 2.608 404 F HA 0.297 4.820 4.527 -0.008 0.000 0.380 404 F C -0.186 175.605 175.800 -0.015 0.000 1.083 404 F CA 0.005 57.986 58.000 -0.031 0.000 1.266 404 F CB 0.215 39.162 39.000 -0.088 0.000 1.076 404 F HN -0.020 nan 8.300 nan 0.000 0.574 405 I N 6.254 126.245 120.570 -0.965 0.000 2.512 405 I HA 0.327 4.492 4.170 -0.008 0.000 0.287 405 I C -0.283 175.315 176.117 -0.864 0.000 1.069 405 I CA -1.132 59.802 61.300 -0.610 0.000 1.056 405 I CB 1.631 39.454 38.000 -0.295 0.000 1.229 405 I HN 0.793 nan 8.210 nan 0.000 0.429 406 A N 4.270 126.809 122.820 -0.468 0.000 2.566 406 A HA 0.395 4.710 4.320 -0.008 0.000 0.245 406 A C 1.346 178.831 177.584 -0.165 0.000 1.056 406 A CA 1.100 53.018 52.037 -0.199 0.000 0.757 406 A CB -0.392 18.630 19.000 0.037 0.000 0.979 406 A HN 1.392 nan 8.150 nan 0.000 0.508 407 G N 2.119 110.863 108.800 -0.093 0.000 2.205 407 G HA2 -0.380 3.575 3.960 -0.008 0.000 0.261 407 G HA3 -0.380 3.575 3.960 -0.008 0.000 0.261 407 G C 1.040 175.909 174.900 -0.052 0.000 0.980 407 G CA 1.062 46.142 45.100 -0.035 0.000 0.632 407 G HN 1.390 nan 8.290 nan 0.000 0.533 408 K N -0.333 119.988 120.400 -0.131 0.000 2.211 408 K HA 0.024 4.339 4.320 -0.008 0.000 0.203 408 K C 0.701 177.297 176.600 -0.006 0.000 1.050 408 K CA 1.224 57.464 56.287 -0.078 0.000 0.945 408 K CB -0.006 32.413 32.500 -0.135 0.000 0.732 408 K HN 0.387 nan 8.250 nan 0.000 0.451 409 N N 0.234 118.925 118.700 -0.015 0.000 2.381 409 N HA 0.128 4.863 4.740 -0.008 0.000 0.294 409 N C -1.640 173.887 175.510 0.028 0.000 1.216 409 N CA -0.666 52.366 53.050 -0.030 0.000 0.803 409 N CB 2.050 40.470 38.487 -0.112 0.000 1.372 409 N HN 0.072 nan 8.380 nan 0.000 0.500 410 S N 0.275 115.932 115.700 -0.071 0.000 2.498 410 S HA 0.592 5.057 4.470 -0.008 0.000 0.317 410 S C -1.733 172.837 174.600 -0.049 0.000 1.090 410 S CA -0.693 57.521 58.200 0.024 0.000 1.089 410 S CB 0.080 63.287 63.200 0.012 0.000 0.997 410 S HN 0.393 nan 8.310 nan 0.000 0.470 411 W N 2.954 124.273 121.300 0.031 0.000 2.471 411 W HA 0.557 5.212 4.660 -0.008 0.000 0.318 411 W C -0.233 176.327 176.519 0.067 0.000 1.034 411 W CA -0.434 56.941 57.345 0.050 0.000 1.224 411 W CB 1.906 31.380 29.460 0.024 0.000 1.335 411 W HN 0.456 nan 8.180 nan 0.000 0.452 412 T N 1.472 116.194 114.554 0.280 0.000 2.971 412 T HA 0.485 4.830 4.350 -0.008 0.000 0.304 412 T C 0.510 175.334 174.700 0.207 0.000 1.038 412 T CA -0.170 62.053 62.100 0.205 0.000 1.007 412 T CB 1.598 70.546 68.868 0.133 0.000 1.055 412 T HN 0.899 nan 8.240 nan 0.000 0.451 413 G N 3.084 111.999 108.800 0.192 0.000 2.168 413 G HA2 -0.246 3.709 3.960 -0.008 0.000 0.257 413 G HA3 -0.246 3.709 3.960 -0.008 0.000 0.257 413 G C 0.092 175.155 174.900 0.273 0.000 0.997 413 G CA -0.199 45.013 45.100 0.187 0.000 0.708 413 G HN 0.701 nan 8.290 nan 0.000 0.520 414 N N -0.864 118.041 118.700 0.341 0.000 2.434 414 N HA 0.563 5.298 4.740 -0.008 0.000 0.266 414 N C -0.283 175.455 175.510 0.381 0.000 1.223 414 N CA -0.048 53.262 53.050 0.434 0.000 0.972 414 N CB 1.961 40.826 38.487 0.630 0.000 1.207 414 N HN 0.073 nan 8.380 nan 0.000 0.525 415 V N 0.159 120.287 119.914 0.357 0.000 2.638 415 V HA 0.663 4.778 4.120 -0.008 0.000 0.306 415 V C -0.757 175.497 176.094 0.267 0.000 1.052 415 V CA -0.770 61.690 62.300 0.266 0.000 0.885 415 V CB 1.589 33.541 31.823 0.216 0.000 0.999 415 V HN 0.838 nan 8.190 nan 0.000 0.424 416 A N 6.063 129.022 122.820 0.232 0.000 2.381 416 A HA 0.988 5.304 4.320 -0.008 0.000 0.299 416 A C -1.132 176.618 177.584 0.277 0.000 1.049 416 A CA -0.490 51.650 52.037 0.172 0.000 0.715 416 A CB 1.426 20.487 19.000 0.101 0.000 1.222 416 A HN 1.461 nan 8.150 nan 0.000 0.428 417 L N 0.198 121.666 121.223 0.408 0.000 2.545 417 L HA 0.895 5.230 4.340 -0.008 0.000 0.258 417 L C 0.154 177.264 176.870 0.400 0.000 0.942 417 L CA 0.019 55.100 54.840 0.402 0.000 0.855 417 L CB 1.841 44.096 42.059 0.328 0.000 1.374 417 L HN 1.779 nan 8.230 nan 0.000 0.411 418 G N 1.470 110.370 108.800 0.167 0.000 2.480 418 G HA2 0.015 3.970 3.960 -0.008 0.000 0.193 418 G HA3 0.015 3.970 3.960 -0.008 0.000 0.193 418 G C -0.359 174.416 174.900 -0.208 0.000 1.004 418 G CA 0.276 45.343 45.100 -0.055 0.000 0.696 418 G HN 1.336 nan 8.290 nan 0.000 0.478 419 V N 0.892 120.624 119.914 -0.303 0.000 3.278 419 V HA 0.562 4.677 4.120 -0.008 0.000 0.288 419 V C -0.419 175.461 176.094 -0.356 0.000 1.514 419 V CA -0.027 62.023 62.300 -0.418 0.000 1.051 419 V CB 1.781 33.214 31.823 -0.651 0.000 1.163 419 V HN 0.930 nan 8.190 nan 0.000 0.458 420 E N 3.176 123.224 120.200 -0.253 0.000 2.436 420 E HA 0.089 4.434 4.350 -0.008 0.000 0.262 420 E C 0.197 176.696 176.600 -0.170 0.000 1.063 420 E CA 0.030 56.335 56.400 -0.158 0.000 0.944 420 E CB 0.692 30.316 29.700 -0.128 0.000 0.950 420 E HN 0.597 nan 8.360 nan 0.000 0.444 421 K N 1.351 121.723 120.400 -0.046 0.000 2.155 421 K HA -0.011 4.304 4.320 -0.008 0.000 0.203 421 K C 1.301 177.923 176.600 0.036 0.000 1.052 421 K CA 0.874 57.185 56.287 0.040 0.000 0.948 421 K CB -0.164 32.396 32.500 0.100 0.000 0.728 421 K HN 0.886 nan 8.250 nan 0.000 0.448 422 G N 1.474 110.259 108.800 -0.025 0.000 2.217 422 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.246 422 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.246 422 G C 0.210 175.066 174.900 -0.074 0.000 0.990 422 G CA 0.451 45.541 45.100 -0.016 0.000 0.627 422 G HN 0.399 nan 8.290 nan 0.000 0.522 423 I N -2.650 117.839 120.570 -0.135 0.000 2.969 423 I HA 0.700 4.865 4.170 -0.008 0.000 0.307 423 I C -2.523 173.274 176.117 -0.533 0.000 1.149 423 I CA -3.056 58.004 61.300 -0.400 0.000 1.008 423 I CB 2.355 40.097 38.000 -0.431 0.000 1.232 423 I HN -0.109 nan 8.210 nan 0.000 0.435 424 P HA 0.238 nan 4.420 nan 0.000 0.237 424 P C -0.822 176.167 177.300 -0.518 0.000 1.788 424 P CA -0.029 62.716 63.100 -0.592 0.000 1.061 424 P CB 0.309 31.695 31.700 -0.524 0.000 1.967 425 V N 2.674 122.309 119.914 -0.465 0.000 2.588 425 V HA 0.290 4.405 4.120 -0.008 0.000 0.304 425 V C 0.346 176.239 176.094 -0.336 0.000 1.042 425 V CA -0.870 61.148 62.300 -0.471 0.000 0.877 425 V CB 2.297 33.551 31.823 -0.948 0.000 0.996 425 V HN 0.343 nan 8.190 nan 0.000 0.425 426 N N 4.470 123.038 118.700 -0.220 0.000 2.406 426 N HA 0.559 5.295 4.740 -0.008 0.000 0.251 426 N C -1.123 174.332 175.510 -0.092 0.000 1.069 426 N CA -0.321 52.658 53.050 -0.118 0.000 0.947 426 N CB 0.505 38.957 38.487 -0.058 0.000 1.111 426 N HN 0.615 nan 8.380 nan 0.000 0.497 427 I N 1.645 122.183 120.570 -0.054 0.000 2.545 427 I HA 0.144 4.309 4.170 -0.008 0.000 0.292 427 I C 0.370 176.533 176.117 0.077 0.000 1.040 427 I CA -0.924 60.392 61.300 0.026 0.000 1.068 427 I CB 1.921 39.942 38.000 0.035 0.000 1.251 427 I HN 0.422 nan 8.210 nan 0.000 0.424 428 S N 3.452 119.220 115.700 0.113 0.000 2.563 428 S HA 0.243 4.708 4.470 -0.008 0.000 0.284 428 S C 0.786 175.468 174.600 0.136 0.000 1.331 428 S CA 0.278 58.548 58.200 0.117 0.000 1.047 428 S CB 0.896 64.176 63.200 0.133 0.000 0.859 428 S HN 0.754 nan 8.310 nan 0.000 0.514 429 A N 3.965 126.858 122.820 0.122 0.000 2.503 429 A HA 0.303 4.618 4.320 -0.008 0.000 0.263 429 A C 0.604 178.271 177.584 0.138 0.000 1.258 429 A CA -0.395 51.726 52.037 0.140 0.000 0.936 429 A CB -0.269 18.803 19.000 0.119 0.000 1.070 429 A HN 0.745 nan 8.150 nan 0.000 0.522 430 N N 1.026 119.804 118.700 0.130 0.000 2.605 430 N HA 0.091 4.826 4.740 -0.008 0.000 0.258 430 N C 0.970 176.563 175.510 0.139 0.000 1.156 430 N CA -0.133 52.988 53.050 0.119 0.000 1.008 430 N CB 0.402 38.951 38.487 0.103 0.000 1.354 430 N HN 0.359 nan 8.380 nan 0.000 0.509 431 R N 1.760 122.336 120.500 0.126 0.000 2.073 431 R HA -0.007 4.328 4.340 -0.008 0.000 0.234 431 R C 1.481 177.852 176.300 0.118 0.000 1.134 431 R CA 1.802 57.967 56.100 0.108 0.000 0.952 431 R CB -0.480 29.843 30.300 0.039 0.000 0.850 431 R HN 0.382 nan 8.270 nan 0.000 0.433 432 S N -0.133 115.618 115.700 0.086 0.000 2.419 432 S HA -0.112 4.353 4.470 -0.008 0.000 0.235 432 S C 1.643 176.293 174.600 0.083 0.000 1.019 432 S CA 1.162 59.406 58.200 0.073 0.000 0.982 432 S CB -0.226 63.006 63.200 0.054 0.000 0.789 432 S HN 0.572 nan 8.310 nan 0.000 0.490 433 A N -0.125 122.754 122.820 0.098 0.000 2.251 433 A HA 0.236 4.552 4.320 -0.008 0.000 0.209 433 A C 0.476 178.114 177.584 0.090 0.000 1.187 433 A CA -0.314 51.771 52.037 0.080 0.000 0.823 433 A CB -0.407 18.638 19.000 0.076 0.000 0.846 433 A HN 0.457 nan 8.150 nan 0.000 0.486 434 Y N 1.615 121.938 120.300 0.038 0.000 2.526 434 Y HA 0.368 4.913 4.550 -0.008 0.000 0.330 434 Y C 0.067 175.988 175.900 0.034 0.000 1.156 434 Y CA 0.310 58.434 58.100 0.041 0.000 1.419 434 Y CB 0.249 38.729 38.460 0.033 0.000 1.250 434 Y HN 0.139 nan 8.280 nan 0.000 0.540 435 K N 7.950 127.728 120.400 -1.035 0.000 2.550 435 K HA 0.308 4.623 4.320 -0.008 0.000 0.252 435 K C -2.799 173.321 176.600 -0.800 0.000 0.943 435 K CA -1.981 53.847 56.287 -0.764 0.000 0.806 435 K CB 2.179 34.499 32.500 -0.300 0.000 1.289 435 K HN 0.433 nan 8.250 nan 0.000 0.435 436 P HA 0.062 nan 4.420 nan 0.000 0.272 436 P C -0.356 176.874 177.300 -0.118 0.000 1.223 436 P CA -0.422 62.555 63.100 -0.205 0.000 0.784 436 P CB 0.724 32.399 31.700 -0.042 0.000 0.923 437 V N 2.385 122.280 119.914 -0.032 0.000 2.644 437 V HA 0.204 4.319 4.120 -0.008 0.000 0.295 437 V C 0.744 176.841 176.094 0.005 0.000 1.053 437 V CA -0.422 61.873 62.300 -0.008 0.000 0.987 437 V CB 0.789 32.628 31.823 0.026 0.000 1.006 437 V HN 0.443 nan 8.190 nan 0.000 0.472 438 K N 3.452 123.854 120.400 0.003 0.000 2.276 438 K HA 0.589 4.905 4.320 -0.008 0.000 0.283 438 K C -0.760 175.851 176.600 0.017 0.000 1.044 438 K CA 0.239 56.532 56.287 0.009 0.000 0.944 438 K CB 0.557 33.061 32.500 0.005 0.000 1.012 438 K HN 0.490 nan 8.250 nan 0.000 0.472 439 I N 3.076 123.658 120.570 0.020 0.000 2.545 439 I HA 0.294 4.459 4.170 -0.008 0.000 0.292 439 I C 0.242 176.370 176.117 0.020 0.000 1.040 439 I CA -0.588 60.726 61.300 0.023 0.000 1.068 439 I CB 2.106 40.125 38.000 0.032 0.000 1.251 439 I HN 0.542 nan 8.210 nan 0.000 0.424 440 K N 2.473 122.883 120.400 0.017 0.000 2.582 440 K HA 0.066 4.382 4.320 -0.008 0.000 0.204 440 K C 0.177 176.786 176.600 0.014 0.000 1.221 440 K CA -0.053 56.242 56.287 0.015 0.000 1.048 440 K CB 0.562 33.069 32.500 0.012 0.000 1.011 440 K HN 0.631 nan 8.250 nan 0.000 0.597 441 D N 0.402 120.811 120.400 0.015 0.000 2.363 441 D HA 0.007 4.642 4.640 -0.008 0.000 0.214 441 D C 0.241 176.551 176.300 0.016 0.000 1.093 441 D CA -0.125 53.882 54.000 0.012 0.000 0.837 441 D CB 0.317 41.122 40.800 0.008 0.000 0.948 441 D HN -0.045 nan 8.370 nan 0.000 0.507 442 I N 2.168 122.753 120.570 0.025 0.000 2.396 442 I HA 0.110 4.275 4.170 -0.008 0.000 0.289 442 I C 0.781 176.924 176.117 0.043 0.000 1.056 442 I CA -0.549 60.774 61.300 0.039 0.000 1.365 442 I CB 0.560 38.590 38.000 0.050 0.000 1.407 442 I HN -0.101 nan 8.210 nan 0.000 0.509 443 Q N 7.773 127.607 119.800 0.056 0.000 2.352 443 Q HA 0.306 4.642 4.340 -0.008 0.000 0.260 443 Q C -1.956 174.088 176.000 0.074 0.000 0.976 443 Q CA -1.289 54.551 55.803 0.060 0.000 0.881 443 Q CB 0.561 29.338 28.738 0.066 0.000 1.235 443 Q HN 0.425 nan 8.270 nan 0.000 0.419 444 P HA 0.281 nan 4.420 nan 0.000 0.276 444 P C -0.449 176.866 177.300 0.026 0.000 1.261 444 P CA -0.516 62.599 63.100 0.024 0.000 0.800 444 P CB 0.978 32.685 31.700 0.011 0.000 1.066 445 I N 0.891 121.456 120.570 -0.009 0.000 2.331 445 I HA 0.168 4.334 4.170 -0.008 0.000 0.292 445 I C 1.107 177.238 176.117 0.023 0.000 0.998 445 I CA -0.650 60.635 61.300 -0.026 0.000 1.267 445 I CB 0.153 38.097 38.000 -0.093 0.000 1.386 445 I HN 0.487 nan 8.210 nan 0.000 0.476 446 E N 4.726 124.959 120.200 0.055 0.000 2.452 446 E HA 0.049 4.394 4.350 -0.008 0.000 0.261 446 E C 1.089 177.791 176.600 0.169 0.000 0.987 446 E CA 1.103 57.559 56.400 0.093 0.000 0.926 446 E CB 0.672 30.437 29.700 0.108 0.000 0.934 446 E HN 0.908 nan 8.360 nan 0.000 0.452 447 G N 4.069 112.937 108.800 0.113 0.000 2.199 447 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.254 447 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.254 447 G C 0.365 175.345 174.900 0.132 0.000 0.982 447 G CA 0.310 45.482 45.100 0.120 0.000 0.632 447 G HN 0.522 nan 8.290 nan 0.000 0.529 448 I N 1.349 121.970 120.570 0.085 0.000 2.382 448 I HA 0.556 4.721 4.170 -0.008 0.000 0.285 448 I C 0.842 176.968 176.117 0.014 0.000 1.007 448 I CA -0.510 60.818 61.300 0.047 0.000 1.142 448 I CB 1.866 39.873 38.000 0.012 0.000 1.289 448 I HN 0.180 nan 8.210 nan 0.000 0.453 449 A N 8.623 131.452 122.820 0.015 0.000 3.051 449 A HA 0.493 4.808 4.320 -0.008 0.000 0.257 449 A C -0.171 177.395 177.584 -0.030 0.000 1.785 449 A CA 0.242 52.278 52.037 -0.001 0.000 1.420 449 A CB -0.700 18.307 19.000 0.011 0.000 1.063 449 A HN 0.641 nan 8.150 nan 0.000 0.630 450 L N 0.249 121.438 121.223 -0.056 0.000 2.408 450 L HA 0.341 4.677 4.340 -0.008 0.000 0.268 450 L C -0.760 176.058 176.870 -0.088 0.000 0.986 450 L CA -0.928 53.844 54.840 -0.113 0.000 0.820 450 L CB 2.276 44.217 42.059 -0.197 0.000 1.303 450 L HN 0.239 nan 8.230 nan 0.000 0.411 451 D N 3.419 123.766 120.400 -0.087 0.000 2.453 451 D HA 0.202 4.838 4.640 -0.008 0.000 0.223 451 D C 1.039 177.303 176.300 -0.060 0.000 1.183 451 D CA -0.110 53.858 54.000 -0.054 0.000 0.933 451 D CB 0.928 41.706 40.800 -0.038 0.000 1.038 451 D HN 0.435 nan 8.370 nan 0.000 0.513 452 L N 2.790 123.986 121.223 -0.044 0.000 2.083 452 L HA -0.178 4.157 4.340 -0.008 0.000 0.209 452 L C 2.029 178.896 176.870 -0.004 0.000 1.083 452 L CA 0.652 55.476 54.840 -0.028 0.000 0.752 452 L CB -0.424 41.635 42.059 0.001 0.000 0.899 452 L HN 0.340 nan 8.230 nan 0.000 0.433 453 N N 0.632 119.333 118.700 0.003 0.000 2.084 453 N HA -0.166 4.569 4.740 -0.008 0.000 0.190 453 N C 1.949 177.464 175.510 0.008 0.000 1.030 453 N CA 1.679 54.735 53.050 0.011 0.000 0.849 453 N CB -0.213 38.281 38.487 0.011 0.000 1.012 453 N HN 0.343 nan 8.380 nan 0.000 0.423 454 A N 1.657 124.476 122.820 -0.002 0.000 1.877 454 A HA -0.058 4.258 4.320 -0.008 0.000 0.216 454 A C 2.458 180.045 177.584 0.006 0.000 1.186 454 A CA 0.955 52.992 52.037 0.000 0.000 0.620 454 A CB -0.809 18.187 19.000 -0.007 0.000 0.822 454 A HN 0.186 nan 8.150 nan 0.000 0.443 455 L N -0.623 120.593 121.223 -0.010 0.000 2.046 455 L HA -0.186 4.149 4.340 -0.008 0.000 0.208 455 L C 2.486 179.383 176.870 0.045 0.000 1.077 455 L CA 1.348 56.194 54.840 0.009 0.000 0.747 455 L CB -0.566 41.458 42.059 -0.059 0.000 0.896 455 L HN 0.370 nan 8.230 nan 0.000 0.432 456 I N -0.891 119.702 120.570 0.038 0.000 2.252 456 I HA -0.237 3.928 4.170 -0.008 0.000 0.245 456 I C 2.527 178.671 176.117 0.045 0.000 1.102 456 I CA 1.042 62.374 61.300 0.053 0.000 1.385 456 I CB -0.250 37.782 38.000 0.053 0.000 1.064 456 I HN 0.132 nan 8.210 nan 0.000 0.414 457 S N 0.485 116.205 115.700 0.033 0.000 2.423 457 S HA -0.127 4.339 4.470 -0.008 0.000 0.231 457 S C 1.854 176.469 174.600 0.024 0.000 1.014 457 S CA 1.037 59.251 58.200 0.024 0.000 0.965 457 S CB -0.154 63.056 63.200 0.017 0.000 0.785 457 S HN 0.391 nan 8.310 nan 0.000 0.495 458 K N 0.702 121.123 120.400 0.034 0.000 2.288 458 K HA 0.157 4.472 4.320 -0.008 0.000 0.201 458 K C 1.327 177.954 176.600 0.044 0.000 1.048 458 K CA 0.489 56.799 56.287 0.038 0.000 0.956 458 K CB -0.186 32.345 32.500 0.051 0.000 0.746 458 K HN 0.412 nan 8.250 nan 0.000 0.461 459 G N 1.333 110.164 108.800 0.052 0.000 2.615 459 G HA2 -0.255 3.700 3.960 -0.008 0.000 0.218 459 G HA3 -0.255 3.700 3.960 -0.008 0.000 0.218 459 G C -0.523 174.418 174.900 0.068 0.000 1.339 459 G CA -0.719 44.420 45.100 0.064 0.000 0.884 459 G HN 0.124 nan 8.290 nan 0.000 0.559 460 I N 2.283 122.895 120.570 0.070 0.000 2.379 460 I HA 0.414 4.580 4.170 -0.008 0.000 0.290 460 I C 1.284 177.442 176.117 0.068 0.000 1.063 460 I CA 0.386 61.707 61.300 0.035 0.000 1.351 460 I CB 0.872 38.886 38.000 0.024 0.000 1.410 460 I HN 0.822 nan 8.210 nan 0.000 0.505 461 T N 2.322 116.927 114.554 0.085 0.000 2.950 461 T HA 0.794 5.139 4.350 -0.008 0.000 0.288 461 T C 0.450 175.256 174.700 0.178 0.000 1.035 461 T CA 0.023 62.191 62.100 0.113 0.000 1.028 461 T CB 1.894 70.828 68.868 0.109 0.000 1.109 461 T HN 1.022 nan 8.240 nan 0.000 0.514 462 G N 1.391 110.259 108.800 0.114 0.000 2.601 462 G HA2 -0.018 3.937 3.960 -0.008 0.000 0.252 462 G HA3 -0.018 3.937 3.960 -0.008 0.000 0.252 462 G C -0.475 174.419 174.900 -0.009 0.000 1.294 462 G CA 0.455 45.591 45.100 0.061 0.000 0.912 462 G HN 1.458 nan 8.290 nan 0.000 0.574 463 K N -1.716 118.485 120.400 -0.333 0.000 2.571 463 K HA 0.663 4.979 4.320 -0.008 0.000 0.289 463 K C -3.346 172.494 176.600 -1.267 0.000 1.028 463 K CA -1.610 54.152 56.287 -0.875 0.000 0.895 463 K CB 1.192 33.426 32.500 -0.443 0.000 1.534 463 K HN 0.435 nan 8.250 nan 0.000 0.421 464 P HA 0.030 nan 4.420 nan 0.000 0.264 464 P C -0.748 176.313 177.300 -0.398 0.000 1.183 464 P CA 0.005 62.641 63.100 -0.773 0.000 0.763 464 P CB 0.330 31.764 31.700 -0.444 0.000 0.807 465 L N 1.889 122.958 121.223 -0.257 0.000 2.417 465 L HA 0.275 4.610 4.340 -0.008 0.000 0.268 465 L C 1.075 177.902 176.870 -0.072 0.000 1.158 465 L CA 0.028 54.782 54.840 -0.144 0.000 0.819 465 L CB 0.538 42.534 42.059 -0.106 0.000 1.112 465 L HN 0.471 nan 8.230 nan 0.000 0.458 466 S N 0.870 116.543 115.700 -0.046 0.000 2.718 466 S HA 0.179 4.644 4.470 -0.008 0.000 0.300 466 S C 0.683 175.312 174.600 0.048 0.000 1.117 466 S CA -0.887 57.321 58.200 0.013 0.000 1.002 466 S CB 1.142 64.338 63.200 -0.007 0.000 1.092 466 S HN 0.890 nan 8.310 nan 0.000 0.542 467 W N 1.472 122.696 121.300 -0.127 0.000 2.321 467 W HA -0.200 4.455 4.660 -0.008 0.000 0.306 467 W C 0.438 176.844 176.519 -0.188 0.000 1.217 467 W CA 2.038 59.242 57.345 -0.235 0.000 1.257 467 W CB -0.544 28.703 29.460 -0.355 0.000 1.145 467 W HN 0.721 nan 8.180 nan 0.000 0.509 468 D N 0.480 120.727 120.400 -0.255 0.000 2.263 468 D HA -0.160 4.475 4.640 -0.008 0.000 0.208 468 D C 1.663 177.786 176.300 -0.294 0.000 0.971 468 D CA 1.379 55.161 54.000 -0.364 0.000 0.867 468 D CB -0.279 40.424 40.800 -0.161 0.000 0.929 468 D HN 0.507 nan 8.370 nan 0.000 0.492 469 E N -0.145 119.939 120.200 -0.192 0.000 2.435 469 E HA -0.046 4.299 4.350 -0.008 0.000 0.195 469 E C 1.954 178.514 176.600 -0.066 0.000 1.029 469 E CA 0.258 56.596 56.400 -0.105 0.000 0.865 469 E CB 0.622 30.291 29.700 -0.052 0.000 0.833 469 E HN 0.239 nan 8.360 nan 0.000 0.510 470 V N -1.163 118.637 119.914 -0.189 0.000 3.562 470 V HA 0.168 4.283 4.120 -0.008 0.000 0.270 470 V C 0.839 176.716 176.094 -0.363 0.000 1.418 470 V CA -0.543 61.660 62.300 -0.160 0.000 1.033 470 V CB -0.238 31.520 31.823 -0.107 0.000 0.820 470 V HN 0.038 nan 8.190 nan 0.000 0.441 471 R N 1.592 121.607 120.500 -0.808 0.000 2.756 471 R HA 0.260 4.596 4.340 -0.008 0.000 0.264 471 R C -2.505 173.399 176.300 -0.660 0.000 1.026 471 R CA -0.932 54.454 56.100 -1.190 0.000 1.121 471 R CB -1.218 27.881 30.300 -2.002 0.000 0.999 471 R HN 0.193 nan 8.270 nan 0.000 0.449 472 P HA -0.093 nan 4.420 nan 0.000 0.266 472 P C -0.194 176.662 177.300 -0.739 0.000 1.195 472 P CA 0.048 62.706 63.100 -0.737 0.000 0.768 472 P CB 0.130 31.095 31.700 -1.224 0.000 0.838 473 Y N 2.438 122.507 120.300 -0.385 0.000 2.315 473 Y HA -0.150 4.396 4.550 -0.008 0.000 0.288 473 Y C 1.510 177.328 175.900 -0.136 0.000 1.154 473 Y CA 0.841 58.802 58.100 -0.232 0.000 1.229 473 Y CB -1.278 37.112 38.460 -0.117 0.000 0.980 473 Y HN 0.497 nan 8.280 nan 0.000 0.540 474 W N -0.003 121.043 121.300 -0.423 0.000 3.278 474 W HA 0.417 5.072 4.660 -0.008 0.000 0.308 474 W C -0.682 175.773 176.519 -0.107 0.000 1.253 474 W CA -0.642 56.584 57.345 -0.197 0.000 1.759 474 W CB -0.367 28.891 29.460 -0.337 0.000 1.093 474 W HN 0.071 nan 8.180 nan 0.000 0.648 475 L N 3.133 123.977 121.223 -0.631 0.000 2.294 475 L HA 0.301 4.636 4.340 -0.008 0.000 0.283 475 L C 1.058 177.825 176.870 -0.172 0.000 1.015 475 L CA -0.355 54.220 54.840 -0.441 0.000 0.831 475 L CB 1.282 42.781 42.059 -0.932 0.000 1.217 475 L HN -0.184 nan 8.230 nan 0.000 0.420 476 K N 2.284 122.695 120.400 0.019 0.000 2.067 476 K HA 0.117 4.432 4.320 -0.008 0.000 0.203 476 K C -0.181 176.565 176.600 0.243 0.000 1.048 476 K CA 0.714 57.050 56.287 0.082 0.000 0.954 476 K CB 0.148 32.693 32.500 0.074 0.000 0.737 476 K HN 0.576 nan 8.250 nan 0.000 0.444 477 E N 1.773 122.079 120.200 0.177 0.000 2.259 477 E HA 0.092 4.437 4.350 -0.008 0.000 0.281 477 E C -0.601 175.962 176.600 -0.063 0.000 1.027 477 E CA -0.339 56.113 56.400 0.086 0.000 0.838 477 E CB 1.102 30.836 29.700 0.056 0.000 1.066 477 E HN 0.119 nan 8.360 nan 0.000 0.401 478 M N 5.052 124.320 119.600 -0.553 0.000 2.246 478 M HA 0.120 4.595 4.480 -0.008 0.000 0.350 478 M C -2.261 173.690 176.300 -0.583 0.000 1.406 478 M CA -1.119 53.402 55.300 -1.297 0.000 1.089 478 M CB 0.405 31.934 32.600 -1.784 0.000 1.782 478 M HN 0.247 nan 8.290 nan 0.000 0.457 479 P HA 0.668 nan 4.420 nan 0.000 0.282 479 P C -0.518 176.732 177.300 -0.084 0.000 1.287 479 P CA -0.004 63.013 63.100 -0.139 0.000 0.792 479 P CB 0.591 32.211 31.700 -0.133 0.000 1.163 480 G N -1.029 107.792 108.800 0.035 0.000 2.699 480 G HA2 -0.006 3.949 3.960 -0.008 0.000 0.686 480 G HA3 -0.006 3.949 3.960 -0.008 0.000 0.686 480 G C 0.365 175.304 174.900 0.065 0.000 1.301 480 G CA 0.012 45.157 45.100 0.075 0.000 0.816 480 G HN 0.786 nan 8.290 nan 0.000 0.595 481 T N -3.154 111.460 114.554 0.101 0.000 2.975 481 T HA 0.219 4.564 4.350 -0.008 0.000 0.257 481 T C 1.623 176.401 174.700 0.130 0.000 1.003 481 T CA 1.406 63.562 62.100 0.093 0.000 0.932 481 T CB 0.229 69.152 68.868 0.092 0.000 1.087 481 T HN 0.912 nan 8.240 nan 0.000 0.512 482 Y N 2.087 122.400 120.300 0.022 0.000 2.347 482 Y HA 0.491 5.037 4.550 -0.008 0.000 0.294 482 Y C 2.675 178.607 175.900 0.054 0.000 1.117 482 Y CA 0.533 58.651 58.100 0.031 0.000 1.184 482 Y CB -0.491 37.969 38.460 -0.001 0.000 1.047 482 Y HN 0.271 nan 8.280 nan 0.000 0.546 483 A N 0.481 123.386 122.820 0.140 0.000 1.892 483 A HA -0.212 4.103 4.320 -0.008 0.000 0.218 483 A C 2.016 179.599 177.584 -0.002 0.000 1.188 483 A CA 2.239 54.336 52.037 0.099 0.000 0.631 483 A CB -1.148 17.992 19.000 0.234 0.000 0.822 483 A HN 0.510 nan 8.150 nan 0.000 0.447 484 L N -0.770 120.441 121.223 -0.021 0.000 2.558 484 L HA 0.038 4.373 4.340 -0.008 0.000 0.225 484 L C 2.076 178.918 176.870 -0.047 0.000 1.128 484 L CA 1.230 56.049 54.840 -0.035 0.000 0.868 484 L CB -0.092 41.941 42.059 -0.042 0.000 1.006 484 L HN 0.676 nan 8.230 nan 0.000 0.454 485 T N -5.416 109.088 114.554 -0.084 0.000 2.969 485 T HA 0.354 4.700 4.350 -0.008 0.000 0.258 485 T C 1.106 175.732 174.700 -0.124 0.000 0.962 485 T CA 0.468 62.525 62.100 -0.072 0.000 0.903 485 T CB 0.752 69.603 68.868 -0.028 0.000 1.177 485 T HN 0.120 nan 8.240 nan 0.000 0.511 486 A N 1.921 124.521 122.820 -0.368 0.000 2.847 486 A HA -0.157 4.158 4.320 -0.008 0.000 0.263 486 A C 0.529 178.005 177.584 -0.180 0.000 1.391 486 A CA 1.341 53.051 52.037 -0.545 0.000 0.866 486 A CB -2.421 16.614 19.000 0.058 0.000 1.057 486 A HN 1.161 nan 8.150 nan 0.000 0.673 487 R N -0.994 119.485 120.500 -0.034 0.000 2.566 487 R HA 0.720 5.055 4.340 -0.008 0.000 0.271 487 R C -0.885 175.571 176.300 0.260 0.000 1.071 487 R CA -1.030 55.200 56.100 0.216 0.000 0.915 487 R CB 0.843 31.223 30.300 0.133 0.000 1.228 487 R HN 0.336 nan 8.270 nan 0.000 0.449 488 L N 2.573 123.960 121.223 0.273 0.000 2.436 488 L HA 0.228 4.563 4.340 -0.008 0.000 0.265 488 L C 0.879 177.824 176.870 0.125 0.000 1.168 488 L CA -0.414 54.529 54.840 0.172 0.000 0.815 488 L CB 1.420 43.535 42.059 0.093 0.000 1.109 488 L HN 0.912 nan 8.230 nan 0.000 0.462 489 S N 1.284 117.041 115.700 0.095 0.000 2.589 489 S HA 0.170 4.636 4.470 -0.008 0.000 0.265 489 S C 1.155 175.799 174.600 0.074 0.000 1.342 489 S CA -0.194 58.051 58.200 0.074 0.000 1.005 489 S CB 1.208 64.444 63.200 0.060 0.000 0.909 489 S HN 0.718 nan 8.310 nan 0.000 0.555 490 A N 1.831 124.689 122.820 0.063 0.000 1.884 490 A HA -0.241 4.075 4.320 -0.008 0.000 0.219 490 A C 1.882 179.503 177.584 0.061 0.000 1.197 490 A CA 2.172 54.246 52.037 0.061 0.000 0.637 490 A CB -1.546 17.483 19.000 0.048 0.000 0.827 490 A HN 1.020 nan 8.150 nan 0.000 0.450 491 D N -0.357 120.073 120.400 0.051 0.000 2.123 491 D HA -0.209 4.426 4.640 -0.008 0.000 0.196 491 D C 1.884 178.219 176.300 0.059 0.000 0.992 491 D CA 1.682 55.710 54.000 0.047 0.000 0.833 491 D CB -0.679 40.141 40.800 0.034 0.000 0.954 491 D HN 0.557 nan 8.370 nan 0.000 0.455 492 R N 0.353 120.890 120.500 0.062 0.000 2.115 492 R HA 0.183 4.519 4.340 -0.008 0.000 0.226 492 R C 2.463 178.822 176.300 0.099 0.000 1.100 492 R CA 1.073 57.211 56.100 0.063 0.000 0.980 492 R CB -0.330 29.995 30.300 0.042 0.000 0.875 492 R HN 0.286 nan 8.270 nan 0.000 0.445 493 A N 1.360 124.250 122.820 0.116 0.000 1.930 493 A HA -0.069 4.246 4.320 -0.008 0.000 0.217 493 A C 2.353 180.039 177.584 0.170 0.000 1.175 493 A CA 1.551 53.694 52.037 0.176 0.000 0.627 493 A CB -0.484 18.607 19.000 0.151 0.000 0.815 493 A HN 0.368 nan 8.150 nan 0.000 0.443 494 A N -0.022 122.867 122.820 0.116 0.000 1.898 494 A HA -0.143 4.173 4.320 -0.008 0.000 0.216 494 A C 2.104 179.751 177.584 0.105 0.000 1.181 494 A CA 1.762 53.855 52.037 0.093 0.000 0.620 494 A CB -0.400 18.640 19.000 0.066 0.000 0.819 494 A HN 0.536 nan 8.150 nan 0.000 0.442 495 K N -1.547 118.923 120.400 0.115 0.000 2.057 495 K HA -0.091 4.224 4.320 -0.008 0.000 0.207 495 K C 1.792 178.505 176.600 0.189 0.000 1.049 495 K CA 1.391 57.752 56.287 0.122 0.000 0.931 495 K CB -0.326 32.234 32.500 0.100 0.000 0.714 495 K HN 0.438 nan 8.250 nan 0.000 0.440 496 F N 2.678 122.636 119.950 0.014 0.000 2.134 496 F HA -0.175 4.347 4.527 -0.008 0.000 0.299 496 F C 2.165 177.969 175.800 0.006 0.000 1.097 496 F CA 1.411 59.405 58.000 -0.010 0.000 1.264 496 F CB -0.279 38.703 39.000 -0.029 0.000 1.001 496 F HN -0.137 nan 8.300 nan 0.000 0.479 497 K N -0.056 120.382 120.400 0.064 0.000 2.063 497 K HA -0.167 4.148 4.320 -0.008 0.000 0.208 497 K C 2.209 178.800 176.600 -0.015 0.000 1.048 497 K CA 1.278 57.536 56.287 -0.048 0.000 0.928 497 K CB -0.365 32.143 32.500 0.012 0.000 0.713 497 K HN 0.287 nan 8.250 nan 0.000 0.442 498 A N 0.374 123.221 122.820 0.044 0.000 1.930 498 A HA -0.087 4.228 4.320 -0.008 0.000 0.217 498 A C 2.199 179.830 177.584 0.078 0.000 1.175 498 A CA 1.388 53.460 52.037 0.058 0.000 0.627 498 A CB -0.489 18.553 19.000 0.071 0.000 0.815 498 A HN 0.161 nan 8.150 nan 0.000 0.443 499 V N 0.265 120.240 119.914 0.101 0.000 2.295 499 V HA -0.270 3.846 4.120 -0.008 0.000 0.246 499 V C 2.423 178.632 176.094 0.192 0.000 1.049 499 V CA 2.071 64.467 62.300 0.161 0.000 1.024 499 V CB -0.653 31.285 31.823 0.191 0.000 0.648 499 V HN 0.576 nan 8.190 nan 0.000 0.447 500 I N -0.200 120.400 120.570 0.050 0.000 2.226 500 I HA -0.275 3.890 4.170 -0.008 0.000 0.245 500 I C 2.575 178.740 176.117 0.080 0.000 1.100 500 I CA 1.857 63.197 61.300 0.066 0.000 1.374 500 I CB -0.420 37.455 38.000 -0.208 0.000 1.057 500 I HN 0.266 nan 8.210 nan 0.000 0.413 501 K N 1.698 122.118 120.400 0.033 0.000 2.097 501 K HA -0.199 4.116 4.320 -0.008 0.000 0.206 501 K C 2.234 178.869 176.600 0.057 0.000 1.049 501 K CA 1.495 57.802 56.287 0.033 0.000 0.933 501 K CB -0.057 32.457 32.500 0.023 0.000 0.717 501 K HN 0.350 nan 8.250 nan 0.000 0.442 502 R N -0.280 120.267 120.500 0.079 0.000 2.307 502 R HA 0.002 4.337 4.340 -0.008 0.000 0.199 502 R C 1.519 177.853 176.300 0.055 0.000 1.000 502 R CA 1.131 57.279 56.100 0.080 0.000 1.023 502 R CB -0.324 30.030 30.300 0.090 0.000 0.908 502 R HN 0.159 nan 8.270 nan 0.000 0.473 503 N N 1.418 120.145 118.700 0.045 0.000 2.353 503 N HA -0.025 4.711 4.740 -0.008 0.000 0.185 503 N C -0.376 175.087 175.510 -0.078 0.000 1.098 503 N CA 0.056 53.063 53.050 -0.071 0.000 0.872 503 N CB 0.424 38.771 38.487 -0.233 0.000 0.970 503 N HN 0.433 nan 8.380 nan 0.000 0.467 504 K N 0.007 120.401 120.400 -0.010 0.000 2.303 504 K HA 0.300 4.615 4.320 -0.008 0.000 0.233 504 K C -0.264 176.347 176.600 0.019 0.000 1.046 504 K CA -0.769 55.514 56.287 -0.007 0.000 0.895 504 K CB 1.184 33.687 32.500 0.005 0.000 1.220 504 K HN -0.204 nan 8.250 nan 0.000 0.470 505 E N 0.706 120.917 120.200 0.018 0.000 2.534 505 E HA -0.143 4.202 4.350 -0.008 0.000 0.264 505 E C -0.370 176.271 176.600 0.068 0.000 0.981 505 E CA 0.328 56.752 56.400 0.040 0.000 0.948 505 E CB 0.281 29.995 29.700 0.023 0.000 0.934 505 E HN 0.483 nan 8.360 nan 0.000 0.459 506 H N 0.000 119.069 119.070 -0.002 0.000 2.539 506 H HA 0.000 4.551 4.556 -0.008 0.000 0.296 506 H CA 0.000 56.050 56.048 0.002 0.000 1.023 506 H CB 0.000 29.764 29.762 0.003 0.000 1.292 506 H HN 0.000 nan 8.280 nan 0.000 0.496