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 1p4r_1_B DATA FIRST_RESID 5 DATA SEQUENCE QLALFSVSDK TGLVEFARNL TALGLNLVAS GGTAKALRDA GLAVRDVSEL DATA SEQUENCE TGFPEMLGGR VKTLHPAVHA GILARNIPED NADMARLDFN LIRVVACNLY DATA SEQUENCE PFVKTVASPG VTVEEAVEQI DIGGVTLLRA AAKNHARVTV VCEPEDYVVV DATA SEQUENCE STEMQSSESK DTSLETRRQL ALKAFTHTAQ YDEAISDYFR KQYSKGVSQM DATA SEQUENCE PLRYGMNPHQ TPAQLYTLQP KLPITVLNGA PGFINLCDAL NAWQLVKELK DATA SEQUENCE EALGIPAAAS FKHVSPAGAA VGIPLSEDEA KVCMVYDLYK TLTPISAAYA DATA SEQUENCE RARGADRMSS FGDFVALSDV CDVPTAKIIS REVSDGIIAP GYEEEALTIL DATA SEQUENCE SKKKNGNYCV LQMDQSYKPD ENEVRTLFGL HLSQKRNNGV VDKSLFSNVV DATA SEQUENCE TKNKDLPESA LRDLIVATIA VKYTQSNSVC YAKNGQVIGI GAGQQSRIHC DATA SEQUENCE TRLAGDKANY WWLRHHPQVL SMKFKTGVKR AEISNAIDQY VTGTIGEDED DATA SEQUENCE LIKWKALFEE VPELLTEAEK KEWVEKLTEV SISSDAFFPF RDNVDRAKRS DATA SEQUENCE GVAYIAAPSG SAADKVVIEA CDELGIILAH TNLRLFHH 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.999 176.000 -0.002 0.000 1.003 5 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 5 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 6 L N -0.182 121.036 121.223 -0.008 0.000 2.350 6 L HA 0.992 5.326 4.340 -0.010 0.000 0.260 6 L C -1.042 175.806 176.870 -0.037 0.000 1.015 6 L CA -1.185 53.648 54.840 -0.011 0.000 0.821 6 L CB 1.997 44.050 42.059 -0.011 0.000 1.370 6 L HN 0.649 nan 8.230 nan 0.000 0.416 7 A N 2.030 124.832 122.820 -0.031 0.000 2.375 7 A HA 0.667 4.981 4.320 -0.010 0.000 0.291 7 A C -1.253 176.204 177.584 -0.212 0.000 1.160 7 A CA -0.370 51.581 52.037 -0.143 0.000 0.747 7 A CB 1.239 20.194 19.000 -0.075 0.000 1.170 7 A HN 0.517 nan 8.150 nan 0.000 0.458 8 L N 3.013 124.037 121.223 -0.331 0.000 2.292 8 L HA 0.815 5.149 4.340 -0.010 0.000 0.284 8 L C -1.431 175.168 176.870 -0.452 0.000 1.065 8 L CA -0.343 54.356 54.840 -0.235 0.000 0.806 8 L CB 0.061 42.029 42.059 -0.151 0.000 1.175 8 L HN 0.499 nan 8.230 nan 0.000 0.431 9 F N 3.171 123.121 119.950 0.001 0.000 2.520 9 F HA 0.638 5.159 4.527 -0.010 0.000 0.322 9 F C 0.443 176.254 175.800 0.017 0.000 1.103 9 F CA -0.591 57.424 58.000 0.025 0.000 0.926 9 F CB 2.125 41.138 39.000 0.021 0.000 1.154 9 F HN 0.421 nan 8.300 nan 0.000 0.453 10 S N 2.367 118.179 115.700 0.187 0.000 2.849 10 S HA 0.416 4.880 4.470 -0.010 0.000 0.141 10 S C -1.509 173.156 174.600 0.108 0.000 1.109 10 S CA -0.581 57.689 58.200 0.116 0.000 1.106 10 S CB -0.102 63.134 63.200 0.059 0.000 1.637 10 S HN 0.609 nan 8.310 nan 0.000 0.457 11 V N 1.572 121.570 119.914 0.141 0.000 2.547 11 V HA 0.791 4.905 4.120 -0.010 0.000 0.299 11 V C 1.197 177.356 176.094 0.108 0.000 1.040 11 V CA 0.042 62.419 62.300 0.129 0.000 0.913 11 V CB 1.479 33.414 31.823 0.185 0.000 0.992 11 V HN 0.528 nan 8.190 nan 0.000 0.449 12 S N 1.598 117.364 115.700 0.110 0.000 2.406 12 S HA -0.043 4.421 4.470 -0.010 0.000 0.224 12 S C 0.806 175.482 174.600 0.126 0.000 1.030 12 S CA 1.087 59.361 58.200 0.124 0.000 0.958 12 S CB -0.247 63.067 63.200 0.191 0.000 0.811 12 S HN 1.000 nan 8.310 nan 0.000 0.489 13 D N 0.755 121.230 120.400 0.124 0.000 2.443 13 D HA 0.367 5.001 4.640 -0.010 0.000 0.221 13 D C 0.320 176.687 176.300 0.112 0.000 1.097 13 D CA -0.274 53.792 54.000 0.109 0.000 0.865 13 D CB 1.247 42.099 40.800 0.087 0.000 1.034 13 D HN 0.013 nan 8.370 nan 0.000 0.511 14 K N 0.879 121.339 120.400 0.101 0.000 2.504 14 K HA 0.006 4.320 4.320 -0.010 0.000 0.195 14 K C 0.769 177.443 176.600 0.123 0.000 1.036 14 K CA 0.151 56.502 56.287 0.108 0.000 0.984 14 K CB -0.189 32.351 32.500 0.067 0.000 0.788 14 K HN 0.380 nan 8.250 nan 0.000 0.488 15 T N -0.042 114.576 114.554 0.107 0.000 2.819 15 T HA 0.079 4.423 4.350 -0.010 0.000 0.282 15 T C 1.308 176.115 174.700 0.179 0.000 1.013 15 T CA 1.166 63.328 62.100 0.103 0.000 1.159 15 T CB -0.159 68.748 68.868 0.066 0.000 1.007 15 T HN 0.645 nan 8.240 nan 0.000 0.514 16 G N 3.823 112.720 108.800 0.162 0.000 2.189 16 G HA2 -0.314 3.640 3.960 -0.010 0.000 0.267 16 G HA3 -0.314 3.640 3.960 -0.010 0.000 0.267 16 G C 0.824 175.848 174.900 0.206 0.000 0.975 16 G CA 0.668 45.903 45.100 0.225 0.000 0.644 16 G HN 0.942 nan 8.290 nan 0.000 0.537 17 L N 1.028 122.351 121.223 0.168 0.000 1.990 17 L HA 0.161 4.495 4.340 -0.010 0.000 0.213 17 L C 3.312 180.125 176.870 -0.095 0.000 1.072 17 L CA 3.468 58.322 54.840 0.022 0.000 0.755 17 L CB -1.037 41.055 42.059 0.055 0.000 0.889 17 L HN 0.949 nan 8.230 nan 0.000 0.432 18 V N -0.750 119.124 119.914 -0.067 0.000 2.282 18 V HA -0.374 3.740 4.120 -0.010 0.000 0.249 18 V C 2.450 178.494 176.094 -0.082 0.000 1.057 18 V CA 2.869 65.109 62.300 -0.100 0.000 1.032 18 V CB -0.876 30.911 31.823 -0.059 0.000 0.645 18 V HN 0.623 nan 8.190 nan 0.000 0.447 19 E N -0.890 119.302 120.200 -0.015 0.000 2.023 19 E HA -0.246 4.098 4.350 -0.010 0.000 0.196 19 E C 2.107 178.720 176.600 0.021 0.000 1.003 19 E CA 1.719 58.130 56.400 0.017 0.000 0.809 19 E CB -0.246 29.497 29.700 0.072 0.000 0.755 19 E HN 0.752 nan 8.360 nan 0.000 0.449 20 F N 1.174 121.020 119.950 -0.173 0.000 2.126 20 F HA -0.198 4.323 4.527 -0.010 0.000 0.299 20 F C 2.070 177.768 175.800 -0.171 0.000 1.096 20 F CA 1.656 59.517 58.000 -0.231 0.000 1.255 20 F CB -0.695 37.882 39.000 -0.705 0.000 0.997 20 F HN 0.061 nan 8.300 nan 0.000 0.479 21 A N 0.226 122.854 122.820 -0.319 0.000 1.972 21 A HA -0.181 4.133 4.320 -0.010 0.000 0.219 21 A C 2.367 179.771 177.584 -0.301 0.000 1.169 21 A CA 1.643 53.407 52.037 -0.454 0.000 0.635 21 A CB -0.687 17.936 19.000 -0.629 0.000 0.810 21 A HN 0.462 nan 8.150 nan 0.000 0.446 22 R N -0.286 120.091 120.500 -0.205 0.000 2.075 22 R HA -0.080 4.254 4.340 -0.010 0.000 0.232 22 R C 1.860 178.085 176.300 -0.124 0.000 1.126 22 R CA 1.375 57.393 56.100 -0.137 0.000 0.963 22 R CB -0.284 29.964 30.300 -0.087 0.000 0.858 22 R HN 0.546 nan 8.270 nan 0.000 0.435 23 N N 0.767 119.391 118.700 -0.126 0.000 2.166 23 N HA -0.158 4.577 4.740 -0.010 0.000 0.186 23 N C 1.854 177.278 175.510 -0.144 0.000 1.019 23 N CA 1.165 54.155 53.050 -0.098 0.000 0.856 23 N CB -0.119 38.341 38.487 -0.045 0.000 0.993 23 N HN 0.232 nan 8.380 nan 0.000 0.426 24 L N 0.656 121.726 121.223 -0.254 0.000 2.109 24 L HA -0.083 4.251 4.340 -0.010 0.000 0.207 24 L C 2.254 179.048 176.870 -0.128 0.000 1.086 24 L CA 0.926 55.632 54.840 -0.225 0.000 0.760 24 L CB -0.782 41.087 42.059 -0.316 0.000 0.910 24 L HN 0.117 nan 8.230 nan 0.000 0.437 25 T N 0.271 114.750 114.554 -0.126 0.000 2.652 25 T HA -0.231 4.113 4.350 -0.010 0.000 0.267 25 T C 2.046 176.708 174.700 -0.064 0.000 1.039 25 T CA 1.568 63.616 62.100 -0.086 0.000 1.153 25 T CB -0.324 68.488 68.868 -0.093 0.000 0.863 25 T HN 0.447 nan 8.240 nan 0.000 0.428 26 A N 1.230 124.012 122.820 -0.063 0.000 1.940 26 A HA 0.002 4.316 4.320 -0.010 0.000 0.219 26 A C 2.122 179.684 177.584 -0.036 0.000 1.176 26 A CA 1.226 53.237 52.037 -0.043 0.000 0.631 26 A CB -0.921 18.056 19.000 -0.038 0.000 0.814 26 A HN 0.526 nan 8.150 nan 0.000 0.446 27 L N -0.828 120.369 121.223 -0.044 0.000 2.675 27 L HA 0.100 4.434 4.340 -0.010 0.000 0.238 27 L C 1.599 178.452 176.870 -0.028 0.000 1.155 27 L CA 0.494 55.314 54.840 -0.032 0.000 0.881 27 L CB -0.551 41.486 42.059 -0.037 0.000 1.008 27 L HN 0.630 nan 8.230 nan 0.000 0.443 28 G N 0.105 108.887 108.800 -0.031 0.000 2.136 28 G HA2 -0.266 3.689 3.960 -0.010 0.000 0.242 28 G HA3 -0.266 3.689 3.960 -0.010 0.000 0.242 28 G C 0.090 174.976 174.900 -0.023 0.000 0.989 28 G CA -0.296 44.790 45.100 -0.024 0.000 0.682 28 G HN 0.234 nan 8.290 nan 0.000 0.522 29 L N 0.842 122.045 121.223 -0.032 0.000 2.307 29 L HA 0.390 4.724 4.340 -0.010 0.000 0.282 29 L C -0.037 176.824 176.870 -0.015 0.000 1.051 29 L CA -0.982 53.843 54.840 -0.025 0.000 0.804 29 L CB 0.940 42.977 42.059 -0.037 0.000 1.197 29 L HN 0.080 nan 8.230 nan 0.000 0.431 30 N N 4.750 123.449 118.700 -0.002 0.000 2.419 30 N HA 0.340 5.074 4.740 -0.010 0.000 0.264 30 N C -0.501 175.031 175.510 0.037 0.000 1.031 30 N CA -0.372 52.681 53.050 0.006 0.000 0.951 30 N CB 1.579 40.069 38.487 0.005 0.000 1.101 30 N HN 0.392 nan 8.380 nan 0.000 0.488 31 L N 1.371 122.620 121.223 0.042 0.000 2.439 31 L HA 0.397 4.732 4.340 -0.010 0.000 0.269 31 L C 0.151 177.078 176.870 0.094 0.000 1.179 31 L CA -0.446 54.460 54.840 0.110 0.000 0.828 31 L CB 0.515 42.571 42.059 -0.006 0.000 1.106 31 L HN 0.079 nan 8.230 nan 0.000 0.467 32 V N 1.554 121.572 119.914 0.172 0.000 2.655 32 V HA 0.851 4.965 4.120 -0.010 0.000 0.301 32 V C -0.248 175.939 176.094 0.154 0.000 1.082 32 V CA -0.284 62.079 62.300 0.105 0.000 0.899 32 V CB 1.510 33.362 31.823 0.049 0.000 1.014 32 V HN 1.028 nan 8.190 nan 0.000 0.429 33 A N 3.782 126.657 122.820 0.091 0.000 2.493 33 A HA 1.011 5.325 4.320 -0.010 0.000 0.300 33 A C -0.773 176.838 177.584 0.045 0.000 1.152 33 A CA -0.372 51.721 52.037 0.094 0.000 0.643 33 A CB 1.909 20.981 19.000 0.120 0.000 1.316 33 A HN 0.796 nan 8.150 nan 0.000 0.469 34 S N -2.105 113.621 115.700 0.043 0.000 2.727 34 S HA 0.783 5.247 4.470 -0.010 0.000 0.278 34 S C 0.409 175.025 174.600 0.027 0.000 1.186 34 S CA 0.589 58.806 58.200 0.027 0.000 0.836 34 S CB 0.739 63.955 63.200 0.027 0.000 1.186 34 S HN 2.788 nan 8.310 nan 0.000 0.499 35 G N 0.983 109.795 108.800 0.021 0.000 2.581 35 G HA2 -0.164 3.790 3.960 -0.010 0.000 0.291 35 G HA3 -0.164 3.790 3.960 -0.010 0.000 0.291 35 G C 1.070 175.978 174.900 0.013 0.000 1.277 35 G CA 0.639 45.750 45.100 0.018 0.000 0.959 35 G HN 1.655 nan 8.290 nan 0.000 0.554 36 G N -1.731 107.077 108.800 0.013 0.000 2.448 36 G HA2 0.054 4.008 3.960 -0.010 0.000 0.219 36 G HA3 0.054 4.008 3.960 -0.010 0.000 0.219 36 G C 1.789 176.695 174.900 0.011 0.000 1.127 36 G CA 2.291 47.396 45.100 0.008 0.000 0.766 36 G HN 1.020 nan 8.290 nan 0.000 0.552 37 T N 1.225 115.794 114.554 0.026 0.000 2.812 37 T HA 0.126 4.470 4.350 -0.010 0.000 0.264 37 T C 2.823 177.520 174.700 -0.005 0.000 1.042 37 T CA 1.235 63.353 62.100 0.031 0.000 1.140 37 T CB -0.208 68.709 68.868 0.082 0.000 0.870 37 T HN 0.354 nan 8.240 nan 0.000 0.445 38 A N 1.650 124.471 122.820 0.001 0.000 1.898 38 A HA -0.037 4.277 4.320 -0.010 0.000 0.216 38 A C 2.199 179.762 177.584 -0.035 0.000 1.181 38 A CA 1.737 53.762 52.037 -0.020 0.000 0.620 38 A CB -0.474 18.524 19.000 -0.002 0.000 0.819 38 A HN 0.470 nan 8.150 nan 0.000 0.442 39 K N -0.065 120.322 120.400 -0.022 0.000 1.991 39 K HA -0.134 4.180 4.320 -0.010 0.000 0.212 39 K C 2.153 178.732 176.600 -0.034 0.000 1.049 39 K CA 1.481 57.754 56.287 -0.024 0.000 0.932 39 K CB -0.456 32.035 32.500 -0.014 0.000 0.717 39 K HN 0.303 nan 8.250 nan 0.000 0.441 40 A N 1.327 124.128 122.820 -0.033 0.000 1.958 40 A HA -0.196 4.118 4.320 -0.010 0.000 0.221 40 A C 2.149 179.694 177.584 -0.066 0.000 1.178 40 A CA 1.813 53.827 52.037 -0.039 0.000 0.642 40 A CB -0.685 18.299 19.000 -0.028 0.000 0.816 40 A HN 0.390 nan 8.150 nan 0.000 0.453 41 L N -1.741 119.424 121.223 -0.096 0.000 2.068 41 L HA -0.102 4.232 4.340 -0.010 0.000 0.204 41 L C 2.863 179.674 176.870 -0.098 0.000 1.076 41 L CA 1.148 55.907 54.840 -0.134 0.000 0.753 41 L CB -0.542 41.393 42.059 -0.207 0.000 0.910 41 L HN 0.317 nan 8.230 nan 0.000 0.439 42 R N 0.191 120.646 120.500 -0.076 0.000 2.091 42 R HA -0.173 4.161 4.340 -0.010 0.000 0.238 42 R C 1.844 178.116 176.300 -0.047 0.000 1.136 42 R CA 1.515 57.581 56.100 -0.057 0.000 0.959 42 R CB -0.536 29.739 30.300 -0.043 0.000 0.856 42 R HN 0.390 nan 8.270 nan 0.000 0.437 43 D N 0.672 121.047 120.400 -0.042 0.000 2.190 43 D HA -0.143 4.491 4.640 -0.010 0.000 0.200 43 D C 1.123 177.402 176.300 -0.036 0.000 0.992 43 D CA 1.373 55.353 54.000 -0.033 0.000 0.854 43 D CB 0.019 40.803 40.800 -0.028 0.000 0.936 43 D HN 0.259 nan 8.370 nan 0.000 0.462 44 A N -0.593 122.198 122.820 -0.048 0.000 2.411 44 A HA 0.465 4.779 4.320 -0.010 0.000 0.251 44 A C 1.647 179.201 177.584 -0.051 0.000 1.317 44 A CA 0.786 52.794 52.037 -0.048 0.000 0.904 44 A CB -0.151 18.814 19.000 -0.058 0.000 0.993 44 A HN 0.208 nan 8.150 nan 0.000 0.504 45 G N -0.911 107.860 108.800 -0.047 0.000 2.184 45 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.264 45 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.264 45 G C 0.201 175.068 174.900 -0.054 0.000 0.975 45 G CA 0.507 45.580 45.100 -0.045 0.000 0.642 45 G HN 0.489 nan 8.290 nan 0.000 0.536 46 L N 0.980 122.159 121.223 -0.073 0.000 2.397 46 L HA 0.583 4.917 4.340 -0.010 0.000 0.271 46 L C 1.188 178.013 176.870 -0.076 0.000 1.148 46 L CA -0.127 54.660 54.840 -0.087 0.000 0.825 46 L CB 1.116 43.098 42.059 -0.129 0.000 1.117 46 L HN 0.314 nan 8.230 nan 0.000 0.456 47 A N 3.894 126.674 122.820 -0.066 0.000 2.409 47 A HA 0.549 4.863 4.320 -0.010 0.000 0.267 47 A C -0.423 177.128 177.584 -0.054 0.000 1.127 47 A CA -0.263 51.744 52.037 -0.050 0.000 0.795 47 A CB 0.268 19.245 19.000 -0.038 0.000 1.061 47 A HN 0.432 nan 8.150 nan 0.000 0.502 48 V N 3.735 123.622 119.914 -0.044 0.000 2.525 48 V HA 0.387 4.501 4.120 -0.010 0.000 0.299 48 V C 0.103 176.188 176.094 -0.016 0.000 1.034 48 V CA -0.606 61.673 62.300 -0.035 0.000 0.863 48 V CB 1.611 33.405 31.823 -0.049 0.000 0.999 48 V HN 0.966 nan 8.190 nan 0.000 0.423 49 R N 2.592 123.090 120.500 -0.003 0.000 2.196 49 R HA 0.314 4.648 4.340 -0.010 0.000 0.340 49 R C -0.000 176.302 176.300 0.004 0.000 1.043 49 R CA -0.394 55.706 56.100 -0.000 0.000 0.883 49 R CB 0.493 30.794 30.300 0.003 0.000 1.078 49 R HN 0.881 nan 8.270 nan 0.000 0.462 50 D N 2.160 122.560 120.400 0.001 0.000 2.478 50 D HA -0.107 4.527 4.640 -0.010 0.000 0.234 50 D C 1.169 177.469 176.300 -0.001 0.000 1.154 50 D CA 0.075 54.077 54.000 0.004 0.000 0.874 50 D CB 1.034 41.835 40.800 0.002 0.000 1.198 50 D HN 0.251 nan 8.370 nan 0.000 0.455 51 V N 2.551 122.465 119.914 -0.000 0.000 2.324 51 V HA -0.274 3.840 4.120 -0.010 0.000 0.250 51 V C 2.333 178.408 176.094 -0.032 0.000 1.060 51 V CA 2.191 64.479 62.300 -0.020 0.000 1.042 51 V CB -0.788 31.026 31.823 -0.016 0.000 0.650 51 V HN 0.752 nan 8.190 nan 0.000 0.450 52 S N -0.705 114.989 115.700 -0.009 0.000 2.442 52 S HA -0.204 4.260 4.470 -0.010 0.000 0.236 52 S C 1.806 176.396 174.600 -0.017 0.000 1.007 52 S CA 1.618 59.816 58.200 -0.004 0.000 0.965 52 S CB -0.306 62.904 63.200 0.017 0.000 0.773 52 S HN 0.765 nan 8.310 nan 0.000 0.504 53 E N 0.242 120.434 120.200 -0.014 0.000 2.358 53 E HA 0.057 4.401 4.350 -0.010 0.000 0.195 53 E C 1.896 178.489 176.600 -0.011 0.000 1.010 53 E CA 0.464 56.858 56.400 -0.009 0.000 0.856 53 E CB -0.059 29.639 29.700 -0.004 0.000 0.795 53 E HN 0.495 nan 8.360 nan 0.000 0.504 54 L N 0.750 121.955 121.223 -0.030 0.000 2.127 54 L HA -0.071 4.263 4.340 -0.010 0.000 0.203 54 L C 2.479 179.307 176.870 -0.069 0.000 1.080 54 L CA 1.580 56.398 54.840 -0.036 0.000 0.768 54 L CB -0.108 41.916 42.059 -0.059 0.000 0.924 54 L HN 0.212 nan 8.230 nan 0.000 0.444 55 T N -4.510 109.944 114.554 -0.166 0.000 3.054 55 T HA 0.145 4.489 4.350 -0.010 0.000 0.259 55 T C 1.571 176.180 174.700 -0.151 0.000 1.092 55 T CA 0.606 62.476 62.100 -0.384 0.000 1.121 55 T CB 0.246 68.646 68.868 -0.779 0.000 0.912 55 T HN 0.515 nan 8.240 nan 0.000 0.489 56 G N 1.114 109.889 108.800 -0.042 0.000 2.257 56 G HA2 -0.311 3.643 3.960 -0.010 0.000 0.267 56 G HA3 -0.311 3.643 3.960 -0.010 0.000 0.267 56 G C 0.007 174.929 174.900 0.037 0.000 0.984 56 G CA 0.288 45.397 45.100 0.015 0.000 0.626 56 G HN 0.701 nan 8.290 nan 0.000 0.540 57 F N 3.208 123.111 119.950 -0.079 0.000 2.563 57 F HA 0.506 5.027 4.527 -0.010 0.000 0.363 57 F C -1.272 174.534 175.800 0.010 0.000 1.123 57 F CA -1.583 56.421 58.000 0.007 0.000 1.307 57 F CB 0.512 39.545 39.000 0.056 0.000 1.115 57 F HN -0.004 nan 8.300 nan 0.000 0.592 58 P HA -0.033 nan 4.420 nan 0.000 0.266 58 P C -0.924 176.261 177.300 -0.192 0.000 1.195 58 P CA -0.068 62.750 63.100 -0.469 0.000 0.768 58 P CB 0.417 31.786 31.700 -0.551 0.000 0.838 59 E N 3.501 123.663 120.200 -0.063 0.000 2.413 59 E HA 0.264 4.608 4.350 -0.010 0.000 0.263 59 E C -0.401 176.219 176.600 0.035 0.000 1.015 59 E CA 0.059 56.473 56.400 0.023 0.000 0.916 59 E CB 0.219 29.924 29.700 0.008 0.000 0.947 59 E HN 0.465 nan 8.360 nan 0.000 0.440 60 M N 2.192 121.844 119.600 0.087 0.000 2.624 60 M HA 0.182 4.657 4.480 -0.010 0.000 0.286 60 M C -1.258 175.099 176.300 0.095 0.000 1.095 60 M CA -0.683 54.671 55.300 0.089 0.000 0.865 60 M CB 0.810 33.484 32.600 0.124 0.000 1.762 60 M HN 0.557 nan 8.290 nan 0.000 0.527 61 L N 1.779 123.046 121.223 0.074 0.000 3.677 61 L HA -0.195 4.139 4.340 -0.010 0.000 0.464 61 L C 0.981 177.889 176.870 0.063 0.000 1.278 61 L CA 1.028 55.908 54.840 0.068 0.000 0.806 61 L CB -2.222 39.884 42.059 0.078 0.000 1.610 61 L HN 1.403 nan 8.230 nan 0.000 0.867 62 G N -0.441 108.391 108.800 0.053 0.000 2.269 62 G HA2 -0.050 3.904 3.960 -0.010 0.000 0.277 62 G HA3 -0.050 3.904 3.960 -0.010 0.000 0.277 62 G C 1.147 176.079 174.900 0.053 0.000 1.008 62 G CA 0.838 45.966 45.100 0.047 0.000 0.774 62 G HN 2.086 nan 8.290 nan 0.000 0.511 63 G N -1.152 107.689 108.800 0.067 0.000 2.273 63 G HA2 -0.332 3.622 3.960 -0.010 0.000 0.280 63 G HA3 -0.332 3.622 3.960 -0.010 0.000 0.280 63 G C 0.961 175.904 174.900 0.072 0.000 1.047 63 G CA 1.092 46.237 45.100 0.076 0.000 0.869 63 G HN 0.939 nan 8.290 nan 0.000 0.502 64 R N -0.768 119.776 120.500 0.073 0.000 2.275 64 R HA 0.186 4.520 4.340 -0.010 0.000 0.199 64 R C 2.074 178.414 176.300 0.068 0.000 0.989 64 R CA 1.242 57.383 56.100 0.069 0.000 1.016 64 R CB 0.206 30.547 30.300 0.069 0.000 0.918 64 R HN 0.897 nan 8.270 nan 0.000 0.473 65 V N -1.996 117.963 119.914 0.075 0.000 3.253 65 V HA 0.123 4.237 4.120 -0.010 0.000 0.320 65 V C 1.449 177.577 176.094 0.056 0.000 1.442 65 V CA -0.350 61.985 62.300 0.058 0.000 1.097 65 V CB 0.325 32.177 31.823 0.049 0.000 1.008 65 V HN 0.121 nan 8.190 nan 0.000 0.463 66 K N 1.699 122.147 120.400 0.080 0.000 2.148 66 K HA -0.096 4.218 4.320 -0.010 0.000 0.204 66 K C 1.759 178.378 176.600 0.033 0.000 1.050 66 K CA 1.925 58.261 56.287 0.082 0.000 0.942 66 K CB -0.874 31.676 32.500 0.083 0.000 0.724 66 K HN 0.588 nan 8.250 nan 0.000 0.446 67 T N -0.568 114.001 114.554 0.024 0.000 3.100 67 T HA 0.147 4.491 4.350 -0.010 0.000 0.253 67 T C 1.125 175.840 174.700 0.025 0.000 1.118 67 T CA -0.047 62.041 62.100 -0.019 0.000 1.058 67 T CB -0.142 68.713 68.868 -0.022 0.000 0.953 67 T HN 0.104 nan 8.240 nan 0.000 0.515 68 L N 2.562 123.840 121.223 0.091 0.000 2.727 68 L HA 0.314 4.648 4.340 -0.010 0.000 0.237 68 L C 0.317 177.233 176.870 0.076 0.000 1.370 68 L CA -0.264 54.666 54.840 0.149 0.000 1.248 68 L CB -0.530 41.563 42.059 0.056 0.000 1.556 68 L HN 0.403 nan 8.230 nan 0.000 0.420 69 H N -0.002 119.054 119.070 -0.024 0.000 2.768 69 H HA 0.284 4.834 4.556 -0.010 0.000 0.371 69 H C -2.211 173.051 175.328 -0.110 0.000 1.151 69 H CA -1.783 54.191 56.048 -0.124 0.000 1.165 69 H CB 2.861 32.511 29.762 -0.186 0.000 1.722 69 H HN -0.104 nan 8.280 nan 0.000 0.543 70 P HA -0.168 nan 4.420 nan 0.000 0.215 70 P C 1.167 178.236 177.300 -0.384 0.000 1.157 70 P CA 2.555 65.550 63.100 -0.176 0.000 0.874 70 P CB 0.022 31.637 31.700 -0.141 0.000 0.790 71 A N -0.878 121.694 122.820 -0.414 0.000 1.917 71 A HA -0.210 4.104 4.320 -0.010 0.000 0.219 71 A C 2.364 179.611 177.584 -0.562 0.000 1.182 71 A CA 2.140 53.536 52.037 -1.069 0.000 0.633 71 A CB -1.718 17.004 19.000 -0.464 0.000 0.819 71 A HN 0.066 nan 8.150 nan 0.000 0.448 72 V N -0.778 118.947 119.914 -0.316 0.000 2.283 72 V HA -0.171 3.943 4.120 -0.010 0.000 0.243 72 V C 2.348 178.219 176.094 -0.372 0.000 1.039 72 V CA 1.888 63.980 62.300 -0.347 0.000 1.016 72 V CB -0.909 30.663 31.823 -0.418 0.000 0.650 72 V HN 0.668 nan 8.190 nan 0.000 0.449 73 H N -0.252 118.742 119.070 -0.127 0.000 2.524 73 H HA 0.144 4.694 4.556 -0.010 0.000 0.282 73 H C 2.206 177.482 175.328 -0.086 0.000 1.016 73 H CA 1.228 57.221 56.048 -0.092 0.000 1.270 73 H CB -0.059 29.661 29.762 -0.071 0.000 1.394 73 H HN 0.461 nan 8.280 nan 0.000 0.568 74 A N 0.607 123.393 122.820 -0.057 0.000 1.898 74 A HA 0.015 4.329 4.320 -0.010 0.000 0.214 74 A C 2.788 180.368 177.584 -0.007 0.000 1.183 74 A CA 1.122 53.152 52.037 -0.011 0.000 0.622 74 A CB -0.901 18.101 19.000 0.002 0.000 0.824 74 A HN 0.410 nan 8.150 nan 0.000 0.444 75 G N 0.051 108.800 108.800 -0.086 0.000 2.450 75 G HA2 -0.188 3.766 3.960 -0.010 0.000 0.220 75 G HA3 -0.188 3.766 3.960 -0.010 0.000 0.220 75 G C 1.462 176.347 174.900 -0.026 0.000 1.130 75 G CA 1.261 46.335 45.100 -0.043 0.000 0.760 75 G HN 0.486 nan 8.290 nan 0.000 0.557 76 I N -0.325 120.226 120.570 -0.031 0.000 2.494 76 I HA 0.082 4.246 4.170 -0.010 0.000 0.250 76 I C 2.433 178.566 176.117 0.026 0.000 1.112 76 I CA 0.440 61.737 61.300 -0.005 0.000 1.438 76 I CB -0.051 37.953 38.000 0.007 0.000 1.111 76 I HN 0.082 nan 8.210 nan 0.000 0.431 77 L N 0.844 122.093 121.223 0.045 0.000 2.341 77 L HA 0.144 4.478 4.340 -0.010 0.000 0.214 77 L C 1.406 178.299 176.870 0.038 0.000 1.115 77 L CA -0.303 54.566 54.840 0.048 0.000 0.820 77 L CB -0.386 41.707 42.059 0.057 0.000 0.944 77 L HN 0.103 nan 8.230 nan 0.000 0.452 78 A N 1.157 124.002 122.820 0.041 0.000 2.567 78 A HA 0.167 4.481 4.320 -0.010 0.000 0.240 78 A C 0.299 177.899 177.584 0.027 0.000 1.053 78 A CA 0.215 52.277 52.037 0.042 0.000 0.755 78 A CB -0.010 19.025 19.000 0.058 0.000 0.978 78 A HN 0.296 nan 8.150 nan 0.000 0.507 79 R N 0.944 121.457 120.500 0.021 0.000 2.596 79 R HA 0.260 4.594 4.340 -0.010 0.000 0.267 79 R C -0.024 176.283 176.300 0.011 0.000 1.026 79 R CA -0.585 55.520 56.100 0.009 0.000 1.087 79 R CB 0.600 30.902 30.300 0.003 0.000 1.132 79 R HN 0.796 nan 8.270 nan 0.000 0.531 80 N N 1.881 120.584 118.700 0.005 0.000 3.331 80 N HA 0.150 4.884 4.740 -0.010 0.000 0.303 80 N C -0.884 174.630 175.510 0.006 0.000 1.326 80 N CA -0.242 52.812 53.050 0.007 0.000 1.207 80 N CB -0.176 38.314 38.487 0.005 0.000 1.477 80 N HN 0.411 nan 8.380 nan 0.000 0.541 81 I N -3.075 117.500 120.570 0.008 0.000 2.957 81 I HA 0.642 4.806 4.170 -0.010 0.000 0.310 81 I C -1.944 174.178 176.117 0.009 0.000 1.063 81 I CA -2.702 58.602 61.300 0.007 0.000 1.033 81 I CB 1.799 39.802 38.000 0.006 0.000 1.230 81 I HN -0.095 nan 8.210 nan 0.000 0.447 82 P HA -0.228 nan 4.420 nan 0.000 0.212 82 P C 1.053 178.358 177.300 0.009 0.000 1.174 82 P CA 2.111 65.216 63.100 0.007 0.000 0.934 82 P CB 0.043 31.746 31.700 0.005 0.000 0.791 83 E N -0.557 119.649 120.200 0.009 0.000 2.049 83 E HA -0.240 4.105 4.350 -0.010 0.000 0.198 83 E C 1.824 178.434 176.600 0.017 0.000 1.007 83 E CA 1.758 58.165 56.400 0.011 0.000 0.809 83 E CB -0.860 28.846 29.700 0.011 0.000 0.749 83 E HN 0.304 nan 8.360 nan 0.000 0.450 84 D N 0.510 120.922 120.400 0.021 0.000 2.092 84 D HA -0.130 4.504 4.640 -0.010 0.000 0.193 84 D C 1.712 178.032 176.300 0.033 0.000 0.994 84 D CA 0.890 54.909 54.000 0.031 0.000 0.828 84 D CB -0.362 40.456 40.800 0.030 0.000 0.963 84 D HN 0.092 nan 8.370 nan 0.000 0.450 85 N N 0.367 119.081 118.700 0.025 0.000 2.192 85 N HA -0.159 4.575 4.740 -0.010 0.000 0.188 85 N C 1.617 177.137 175.510 0.016 0.000 1.013 85 N CA 1.108 54.172 53.050 0.022 0.000 0.863 85 N CB -0.159 38.337 38.487 0.015 0.000 0.990 85 N HN 0.159 nan 8.380 nan 0.000 0.430 86 A N 1.931 124.758 122.820 0.012 0.000 1.835 86 A HA -0.160 4.154 4.320 -0.010 0.000 0.215 86 A C 1.848 179.432 177.584 0.000 0.000 1.199 86 A CA 1.652 53.691 52.037 0.004 0.000 0.615 86 A CB -0.572 18.431 19.000 0.004 0.000 0.838 86 A HN 0.151 nan 8.150 nan 0.000 0.444 87 D N -0.235 120.171 120.400 0.011 0.000 2.133 87 D HA -0.178 4.456 4.640 -0.010 0.000 0.195 87 D C 2.000 178.298 176.300 -0.003 0.000 0.997 87 D CA 1.472 55.477 54.000 0.009 0.000 0.840 87 D CB -0.394 40.431 40.800 0.041 0.000 0.947 87 D HN 0.290 nan 8.370 nan 0.000 0.452 88 M N 0.736 120.357 119.600 0.035 0.000 2.117 88 M HA -0.053 4.421 4.480 -0.010 0.000 0.262 88 M C 2.446 178.732 176.300 -0.024 0.000 1.065 88 M CA 0.797 56.129 55.300 0.053 0.000 1.114 88 M CB -1.242 31.416 32.600 0.096 0.000 1.361 88 M HN -0.029 nan 8.290 nan 0.000 0.408 89 A N 0.250 123.060 122.820 -0.017 0.000 1.892 89 A HA -0.214 4.100 4.320 -0.010 0.000 0.218 89 A C 2.420 179.964 177.584 -0.066 0.000 1.188 89 A CA 1.965 53.984 52.037 -0.030 0.000 0.631 89 A CB -0.699 18.291 19.000 -0.017 0.000 0.822 89 A HN 0.451 nan 8.150 nan 0.000 0.447 90 R N -0.324 120.129 120.500 -0.078 0.000 2.089 90 R HA -0.024 4.310 4.340 -0.010 0.000 0.222 90 R C 1.952 178.137 176.300 -0.192 0.000 1.151 90 R CA 1.636 57.674 56.100 -0.103 0.000 0.908 90 R CB -0.689 29.563 30.300 -0.079 0.000 0.813 90 R HN 0.491 nan 8.270 nan 0.000 0.440 91 L N 1.249 122.291 121.223 -0.301 0.000 2.556 91 L HA -0.148 4.186 4.340 -0.010 0.000 0.230 91 L C 0.098 176.511 176.870 -0.761 0.000 1.163 91 L CA 0.802 55.282 54.840 -0.599 0.000 0.819 91 L CB -0.677 40.830 42.059 -0.920 0.000 0.939 91 L HN 0.511 nan 8.230 nan 0.000 0.452 92 D N -0.161 119.984 120.400 -0.426 0.000 2.705 92 D HA -0.187 4.447 4.640 -0.010 0.000 0.240 92 D C -0.758 175.462 176.300 -0.133 0.000 1.137 92 D CA 0.763 54.626 54.000 -0.228 0.000 0.677 92 D CB -0.696 40.018 40.800 -0.144 0.000 1.049 92 D HN 0.035 nan 8.370 nan 0.000 0.427 93 F N 1.014 120.977 119.950 0.022 0.000 2.436 93 F HA 0.328 4.849 4.527 -0.010 0.000 0.340 93 F C 1.225 177.032 175.800 0.012 0.000 1.113 93 F CA -1.218 56.794 58.000 0.021 0.000 1.022 93 F CB 0.911 39.928 39.000 0.030 0.000 1.128 93 F HN -0.153 nan 8.300 nan 0.000 0.466 94 N N 2.645 121.472 118.700 0.212 0.000 2.467 94 N HA 0.325 5.059 4.740 -0.010 0.000 0.262 94 N C -0.779 174.782 175.510 0.085 0.000 1.234 94 N CA -0.196 52.918 53.050 0.108 0.000 0.952 94 N CB 0.837 39.366 38.487 0.069 0.000 1.158 94 N HN 0.529 nan 8.380 nan 0.000 0.463 95 L N 2.382 123.637 121.223 0.052 0.000 2.357 95 L HA 0.427 4.761 4.340 -0.010 0.000 0.273 95 L C 0.300 177.170 176.870 0.001 0.000 1.080 95 L CA -0.596 54.262 54.840 0.030 0.000 0.803 95 L CB 1.032 43.108 42.059 0.028 0.000 1.174 95 L HN 0.400 nan 8.230 nan 0.000 0.443 96 I N 2.136 122.695 120.570 -0.018 0.000 2.321 96 I HA 0.207 4.371 4.170 -0.010 0.000 0.291 96 I C 0.748 176.845 176.117 -0.033 0.000 0.998 96 I CA -0.304 60.972 61.300 -0.040 0.000 1.227 96 I CB 1.797 39.755 38.000 -0.069 0.000 1.368 96 I HN 0.614 nan 8.210 nan 0.000 0.466 97 R N 5.175 125.655 120.500 -0.034 0.000 2.112 97 R HA 0.207 4.541 4.340 -0.010 0.000 0.216 97 R C -0.251 176.033 176.300 -0.027 0.000 1.080 97 R CA 1.006 57.093 56.100 -0.022 0.000 0.996 97 R CB 0.344 30.635 30.300 -0.016 0.000 0.902 97 R HN 0.457 nan 8.270 nan 0.000 0.449 98 V N 0.223 120.099 119.914 -0.063 0.000 2.914 98 V HA 0.517 4.631 4.120 -0.010 0.000 0.314 98 V C -1.155 174.840 176.094 -0.165 0.000 1.084 98 V CA -0.999 61.257 62.300 -0.074 0.000 0.963 98 V CB 2.338 34.127 31.823 -0.057 0.000 1.025 98 V HN -0.167 nan 8.190 nan 0.000 0.432 99 V N 2.575 122.403 119.914 -0.144 0.000 2.509 99 V HA 0.661 4.775 4.120 -0.010 0.000 0.289 99 V C 0.009 176.013 176.094 -0.150 0.000 1.026 99 V CA -0.472 61.714 62.300 -0.190 0.000 0.872 99 V CB 1.678 33.427 31.823 -0.123 0.000 1.017 99 V HN 1.023 nan 8.190 nan 0.000 0.436 100 A N 3.851 126.535 122.820 -0.226 0.000 2.252 100 A HA 0.774 5.088 4.320 -0.010 0.000 0.309 100 A C -0.344 177.247 177.584 0.012 0.000 1.285 100 A CA -0.322 51.711 52.037 -0.007 0.000 0.900 100 A CB 0.748 19.847 19.000 0.164 0.000 1.157 100 A HN 1.158 nan 8.150 nan 0.000 0.536 101 C N 3.939 123.230 119.300 -0.015 0.000 2.931 101 C HA 0.770 5.225 4.460 -0.010 0.000 0.370 101 C C -1.544 173.394 174.990 -0.088 0.000 1.071 101 C CA -0.645 58.360 59.018 -0.021 0.000 1.266 101 C CB 0.898 28.613 27.740 -0.043 0.000 1.691 101 C HN 1.153 nan 8.230 nan 0.000 0.511 102 N N 4.397 123.078 118.700 -0.031 0.000 2.331 102 N HA 0.734 5.469 4.740 -0.010 0.000 0.280 102 N C -1.667 173.913 175.510 0.116 0.000 1.155 102 N CA -0.833 52.200 53.050 -0.029 0.000 0.822 102 N CB 0.939 39.376 38.487 -0.084 0.000 1.619 102 N HN 0.641 nan 8.380 nan 0.000 0.476 103 L N 0.517 121.899 121.223 0.265 0.000 2.343 103 L HA 0.431 4.765 4.340 -0.010 0.000 0.275 103 L C -0.494 176.440 176.870 0.106 0.000 1.056 103 L CA -1.236 53.625 54.840 0.034 0.000 0.804 103 L CB 0.692 42.513 42.059 -0.397 0.000 1.203 103 L HN 0.617 nan 8.230 nan 0.000 0.440 104 Y N 3.836 124.157 120.300 0.035 0.000 2.496 104 Y HA 0.171 4.715 4.550 -0.010 0.000 0.334 104 Y C -1.929 174.057 175.900 0.144 0.000 1.080 104 Y CA -2.374 55.774 58.100 0.079 0.000 1.355 104 Y CB 0.365 38.872 38.460 0.078 0.000 1.193 104 Y HN 0.343 nan 8.280 nan 0.000 0.523 105 P HA -0.177 nan 4.420 nan 0.000 0.251 105 P C 0.435 177.670 177.300 -0.108 0.000 1.154 105 P CA 0.707 63.687 63.100 -0.201 0.000 0.805 105 P CB -0.204 31.307 31.700 -0.316 0.000 0.759 106 F N 5.002 124.972 119.950 0.033 0.000 2.184 106 F HA -0.264 4.257 4.527 -0.010 0.000 0.301 106 F C 1.861 177.567 175.800 -0.158 0.000 1.076 106 F CA 1.581 59.527 58.000 -0.089 0.000 1.295 106 F CB -0.362 38.405 39.000 -0.389 0.000 1.026 106 F HN 0.054 nan 8.300 nan 0.000 0.494 107 V N 0.377 120.213 119.914 -0.129 0.000 2.287 107 V HA -0.354 3.760 4.120 -0.010 0.000 0.248 107 V C 2.404 178.349 176.094 -0.248 0.000 1.053 107 V CA 2.347 64.542 62.300 -0.175 0.000 1.027 107 V CB -0.693 31.080 31.823 -0.083 0.000 0.646 107 V HN 0.279 nan 8.190 nan 0.000 0.447 108 K N -0.075 120.163 120.400 -0.271 0.000 2.211 108 K HA -0.146 4.168 4.320 -0.010 0.000 0.203 108 K C 2.249 178.770 176.600 -0.131 0.000 1.050 108 K CA 1.720 57.863 56.287 -0.241 0.000 0.945 108 K CB -0.345 31.897 32.500 -0.430 0.000 0.732 108 K HN 0.665 nan 8.250 nan 0.000 0.451 109 T N -1.520 112.925 114.554 -0.182 0.000 3.067 109 T HA 0.008 4.352 4.350 -0.010 0.000 0.261 109 T C 1.736 176.225 174.700 -0.353 0.000 1.110 109 T CA 0.458 62.499 62.100 -0.097 0.000 1.113 109 T CB 0.168 69.014 68.868 -0.036 0.000 0.917 109 T HN -0.097 nan 8.240 nan 0.000 0.499 110 V N 0.974 120.554 119.914 -0.556 0.000 3.174 110 V HA 0.415 4.529 4.120 -0.010 0.000 0.254 110 V C 2.792 178.744 176.094 -0.236 0.000 1.120 110 V CA 0.910 62.880 62.300 -0.549 0.000 1.114 110 V CB -0.355 31.009 31.823 -0.765 0.000 0.756 110 V HN 0.633 nan 8.190 nan 0.000 0.467 111 A N -0.642 122.070 122.820 -0.180 0.000 2.251 111 A HA 0.131 4.445 4.320 -0.010 0.000 0.209 111 A C 1.421 178.974 177.584 -0.052 0.000 1.187 111 A CA 0.524 52.509 52.037 -0.087 0.000 0.823 111 A CB -0.129 18.826 19.000 -0.075 0.000 0.846 111 A HN 0.388 nan 8.150 nan 0.000 0.486 112 S N 1.165 116.832 115.700 -0.056 0.000 2.549 112 S HA 0.336 4.800 4.470 -0.010 0.000 0.283 112 S C -2.606 171.982 174.600 -0.019 0.000 1.320 112 S CA -1.190 56.997 58.200 -0.021 0.000 1.058 112 S CB 0.137 63.329 63.200 -0.014 0.000 0.882 112 S HN 0.184 nan 8.310 nan 0.000 0.498 113 P HA 0.149 nan 4.420 nan 0.000 0.262 113 P C 0.566 177.865 177.300 -0.002 0.000 1.182 113 P CA 0.890 63.988 63.100 -0.003 0.000 0.761 113 P CB 0.114 31.815 31.700 0.001 0.000 0.795 114 G N 2.415 111.215 108.800 0.001 0.000 2.422 114 G HA2 -0.170 3.784 3.960 -0.010 0.000 0.301 114 G HA3 -0.170 3.784 3.960 -0.010 0.000 0.301 114 G C 0.182 175.085 174.900 0.005 0.000 0.981 114 G CA 0.263 45.366 45.100 0.005 0.000 0.994 114 G HN 0.611 nan 8.290 nan 0.000 0.514 115 V N -1.256 118.659 119.914 0.002 0.000 2.439 115 V HA 0.861 4.975 4.120 -0.010 0.000 0.282 115 V C 0.779 176.888 176.094 0.025 0.000 1.039 115 V CA -0.233 62.068 62.300 0.002 0.000 0.913 115 V CB 1.183 32.989 31.823 -0.028 0.000 0.983 115 V HN 0.912 nan 8.190 nan 0.000 0.460 116 T N 1.561 116.136 114.554 0.035 0.000 2.849 116 T HA 0.383 4.727 4.350 -0.010 0.000 0.284 116 T C 1.178 175.935 174.700 0.095 0.000 1.004 116 T CA 0.044 62.177 62.100 0.055 0.000 1.021 116 T CB 1.501 70.396 68.868 0.046 0.000 1.013 116 T HN 0.508 nan 8.240 nan 0.000 0.527 117 V N 1.156 121.143 119.914 0.121 0.000 2.255 117 V HA -0.167 3.947 4.120 -0.010 0.000 0.247 117 V C 2.845 179.046 176.094 0.179 0.000 1.051 117 V CA 2.406 64.826 62.300 0.200 0.000 1.018 117 V CB -1.159 30.703 31.823 0.064 0.000 0.641 117 V HN 1.096 nan 8.190 nan 0.000 0.445 118 E N 0.099 120.374 120.200 0.125 0.000 2.114 118 E HA -0.308 4.036 4.350 -0.010 0.000 0.199 118 E C 2.157 178.821 176.600 0.107 0.000 1.008 118 E CA 2.081 58.547 56.400 0.111 0.000 0.810 118 E CB -0.096 29.650 29.700 0.076 0.000 0.739 118 E HN 0.763 nan 8.360 nan 0.000 0.456 119 E N -0.107 120.143 120.200 0.084 0.000 2.072 119 E HA -0.148 4.197 4.350 -0.010 0.000 0.191 119 E C 2.110 178.753 176.600 0.072 0.000 0.985 119 E CA 0.750 57.189 56.400 0.065 0.000 0.801 119 E CB -0.144 29.577 29.700 0.036 0.000 0.750 119 E HN 0.350 nan 8.360 nan 0.000 0.452 120 A N 1.290 124.146 122.820 0.059 0.000 1.933 120 A HA -0.138 4.176 4.320 -0.010 0.000 0.218 120 A C 2.522 180.230 177.584 0.207 0.000 1.175 120 A CA 1.130 53.169 52.037 0.003 0.000 0.628 120 A CB -0.637 18.232 19.000 -0.219 0.000 0.814 120 A HN 0.113 nan 8.150 nan 0.000 0.444 121 V N 0.092 120.161 119.914 0.258 0.000 2.358 121 V HA -0.237 3.877 4.120 -0.010 0.000 0.246 121 V C 2.208 178.449 176.094 0.245 0.000 1.047 121 V CA 2.144 64.637 62.300 0.322 0.000 1.035 121 V CB -0.814 31.184 31.823 0.292 0.000 0.658 121 V HN 0.641 nan 8.190 nan 0.000 0.452 122 E N -0.420 119.886 120.200 0.177 0.000 2.409 122 E HA -0.176 4.168 4.350 -0.010 0.000 0.198 122 E C 1.991 178.681 176.600 0.149 0.000 1.024 122 E CA 0.493 56.978 56.400 0.142 0.000 0.861 122 E CB -0.037 29.724 29.700 0.102 0.000 0.788 122 E HN 0.657 nan 8.360 nan 0.000 0.521 123 Q N 0.089 119.998 119.800 0.182 0.000 2.360 123 Q HA 0.124 4.458 4.340 -0.010 0.000 0.202 123 Q C 0.186 176.367 176.000 0.303 0.000 0.915 123 Q CA -0.088 55.835 55.803 0.201 0.000 0.943 123 Q CB 0.463 29.298 28.738 0.163 0.000 1.064 123 Q HN 0.289 nan 8.270 nan 0.000 0.511 124 I N 2.133 122.883 120.570 0.300 0.000 2.598 124 I HA -0.062 4.102 4.170 -0.010 0.000 0.284 124 I C 0.458 176.740 176.117 0.276 0.000 1.140 124 I CA 0.097 61.564 61.300 0.278 0.000 1.420 124 I CB 0.240 38.311 38.000 0.118 0.000 1.387 124 I HN 0.015 nan 8.210 nan 0.000 0.553 125 D N 7.029 127.664 120.400 0.390 0.000 2.351 125 D HA 0.127 4.761 4.640 -0.010 0.000 0.251 125 D C 0.533 176.929 176.300 0.161 0.000 1.137 125 D CA -0.140 53.986 54.000 0.212 0.000 0.879 125 D CB 1.423 42.265 40.800 0.070 0.000 1.181 125 D HN 0.320 nan 8.370 nan 0.000 0.448 126 I N 2.807 123.439 120.570 0.103 0.000 3.366 126 I HA 0.052 4.216 4.170 -0.010 0.000 0.267 126 I C 2.314 178.465 176.117 0.057 0.000 1.149 126 I CA 0.318 61.664 61.300 0.076 0.000 1.436 126 I CB -1.314 36.727 38.000 0.068 0.000 1.379 126 I HN 0.510 nan 8.210 nan 0.000 0.460 127 G N 1.333 110.170 108.800 0.062 0.000 2.421 127 G HA2 -0.184 3.770 3.960 -0.010 0.000 0.216 127 G HA3 -0.184 3.770 3.960 -0.010 0.000 0.216 127 G C 1.666 176.602 174.900 0.059 0.000 1.171 127 G CA 1.023 46.165 45.100 0.071 0.000 0.775 127 G HN 0.454 nan 8.290 nan 0.000 0.543 128 G N 0.321 109.138 108.800 0.028 0.000 2.421 128 G HA2 -0.149 3.805 3.960 -0.010 0.000 0.216 128 G HA3 -0.149 3.805 3.960 -0.010 0.000 0.216 128 G C 1.799 176.689 174.900 -0.017 0.000 1.171 128 G CA 1.180 46.280 45.100 0.000 0.000 0.775 128 G HN 0.317 nan 8.290 nan 0.000 0.543 129 V N 1.140 121.036 119.914 -0.031 0.000 2.324 129 V HA -0.218 3.896 4.120 -0.010 0.000 0.250 129 V C 3.191 179.283 176.094 -0.004 0.000 1.060 129 V CA 2.459 64.742 62.300 -0.029 0.000 1.042 129 V CB -0.874 30.953 31.823 0.006 0.000 0.650 129 V HN 0.426 nan 8.190 nan 0.000 0.450 130 T N 0.076 114.642 114.554 0.020 0.000 2.821 130 T HA -0.070 4.274 4.350 -0.010 0.000 0.267 130 T C 1.882 176.630 174.700 0.081 0.000 1.046 130 T CA 1.260 63.371 62.100 0.018 0.000 1.139 130 T CB -0.238 68.617 68.868 -0.021 0.000 0.871 130 T HN 0.288 nan 8.240 nan 0.000 0.454 131 L N 0.400 121.691 121.223 0.114 0.000 1.989 131 L HA -0.111 4.223 4.340 -0.010 0.000 0.211 131 L C 2.535 179.398 176.870 -0.011 0.000 1.071 131 L CA 1.365 56.254 54.840 0.081 0.000 0.749 131 L CB -0.705 41.359 42.059 0.010 0.000 0.890 131 L HN 0.258 nan 8.230 nan 0.000 0.431 132 L N -0.504 120.683 121.223 -0.060 0.000 1.970 132 L HA -0.247 4.088 4.340 -0.010 0.000 0.212 132 L C 2.872 179.597 176.870 -0.242 0.000 1.071 132 L CA 1.585 56.338 54.840 -0.145 0.000 0.751 132 L CB -0.516 41.462 42.059 -0.134 0.000 0.889 132 L HN 0.223 nan 8.230 nan 0.000 0.432 133 R N -0.272 120.105 120.500 -0.205 0.000 2.120 133 R HA -0.097 4.237 4.340 -0.010 0.000 0.234 133 R C 2.320 178.574 176.300 -0.076 0.000 1.123 133 R CA 1.100 57.052 56.100 -0.246 0.000 0.975 133 R CB -0.500 29.827 30.300 0.045 0.000 0.866 133 R HN 0.380 nan 8.270 nan 0.000 0.446 134 A N 1.580 124.391 122.820 -0.014 0.000 1.873 134 A HA -0.018 4.296 4.320 -0.010 0.000 0.215 134 A C 2.411 180.015 177.584 0.032 0.000 1.186 134 A CA 1.443 53.509 52.037 0.049 0.000 0.616 134 A CB -0.567 18.512 19.000 0.131 0.000 0.823 134 A HN 0.356 nan 8.150 nan 0.000 0.442 135 A N -0.064 122.744 122.820 -0.019 0.000 1.873 135 A HA 0.199 4.513 4.320 -0.010 0.000 0.215 135 A C 2.524 180.097 177.584 -0.018 0.000 1.186 135 A CA 2.043 54.066 52.037 -0.024 0.000 0.616 135 A CB -1.103 17.862 19.000 -0.057 0.000 0.823 135 A HN 1.043 nan 8.150 nan 0.000 0.442 136 A N 0.102 122.830 122.820 -0.154 0.000 1.883 136 A HA -0.231 4.083 4.320 -0.010 0.000 0.217 136 A C 2.157 179.873 177.584 0.220 0.000 1.186 136 A CA 2.212 54.141 52.037 -0.180 0.000 0.624 136 A CB -0.547 17.936 19.000 -0.862 0.000 0.822 136 A HN 0.592 nan 8.150 nan 0.000 0.444 137 K N -0.562 120.009 120.400 0.286 0.000 2.063 137 K HA -0.197 4.117 4.320 -0.010 0.000 0.208 137 K C 0.959 177.731 176.600 0.287 0.000 1.048 137 K CA 1.725 58.275 56.287 0.438 0.000 0.928 137 K CB -0.208 32.489 32.500 0.329 0.000 0.713 137 K HN 0.387 nan 8.250 nan 0.000 0.442 138 N N 1.185 119.982 118.700 0.162 0.000 2.466 138 N HA -0.041 4.693 4.740 -0.010 0.000 0.251 138 N C 0.763 176.297 175.510 0.039 0.000 1.164 138 N CA -0.105 52.980 53.050 0.058 0.000 0.888 138 N CB -0.099 38.413 38.487 0.041 0.000 1.177 138 N HN 0.355 nan 8.380 nan 0.000 0.498 139 H N -1.793 117.306 119.070 0.049 0.000 2.543 139 H HA 0.015 4.565 4.556 -0.010 0.000 0.286 139 H C 1.390 176.736 175.328 0.031 0.000 1.037 139 H CA 1.018 57.086 56.048 0.034 0.000 1.250 139 H CB -0.239 29.551 29.762 0.047 0.000 1.373 139 H HN 0.254 nan 8.280 nan 0.000 0.580 140 A N 1.517 124.133 122.820 -0.340 0.000 1.972 140 A HA -0.164 4.150 4.320 -0.010 0.000 0.219 140 A C 2.577 180.120 177.584 -0.068 0.000 1.169 140 A CA 1.790 53.697 52.037 -0.216 0.000 0.635 140 A CB -0.467 18.405 19.000 -0.213 0.000 0.810 140 A HN 0.500 nan 8.150 nan 0.000 0.446 141 R N -1.829 118.648 120.500 -0.039 0.000 2.276 141 R HA 0.228 4.562 4.340 -0.010 0.000 0.195 141 R C -0.591 175.716 176.300 0.011 0.000 0.908 141 R CA 0.348 56.444 56.100 -0.008 0.000 1.083 141 R CB 0.570 30.865 30.300 -0.007 0.000 1.182 141 R HN 0.188 nan 8.270 nan 0.000 0.608 142 V N 2.167 122.093 119.914 0.019 0.000 2.465 142 V HA 0.256 4.370 4.120 -0.010 0.000 0.279 142 V C -0.184 175.934 176.094 0.040 0.000 1.045 142 V CA -0.297 62.017 62.300 0.023 0.000 0.938 142 V CB 1.540 33.371 31.823 0.013 0.000 0.986 142 V HN 0.152 nan 8.190 nan 0.000 0.467 143 T N 4.853 119.425 114.554 0.031 0.000 2.728 143 T HA 0.369 4.713 4.350 -0.010 0.000 0.296 143 T C -0.354 174.354 174.700 0.013 0.000 0.940 143 T CA 0.050 62.174 62.100 0.040 0.000 1.013 143 T CB 1.131 70.039 68.868 0.067 0.000 0.912 143 T HN 0.479 nan 8.240 nan 0.000 0.484 144 V N 5.777 125.683 119.914 -0.013 0.000 2.459 144 V HA 0.684 4.799 4.120 -0.010 0.000 0.295 144 V C -0.877 175.169 176.094 -0.080 0.000 1.029 144 V CA -0.455 61.809 62.300 -0.059 0.000 0.874 144 V CB 1.570 33.333 31.823 -0.101 0.000 0.985 144 V HN 0.648 nan 8.190 nan 0.000 0.438 145 V N 6.861 126.723 119.914 -0.086 0.000 2.409 145 V HA 0.265 4.379 4.120 -0.010 0.000 0.290 145 V C 0.615 176.591 176.094 -0.196 0.000 1.017 145 V CA -0.197 62.017 62.300 -0.144 0.000 0.841 145 V CB 1.146 32.893 31.823 -0.127 0.000 1.003 145 V HN 1.113 nan 8.190 nan 0.000 0.426 146 C N 1.117 120.243 119.300 -0.289 0.000 3.228 146 C HA 0.448 4.902 4.460 -0.010 0.000 0.290 146 C C 0.388 175.133 174.990 -0.409 0.000 1.301 146 C CA -0.304 58.472 59.018 -0.403 0.000 1.703 146 C CB -0.360 27.008 27.740 -0.621 0.000 2.141 146 C HN 0.697 nan 8.230 nan 0.000 0.656 147 E N 1.875 121.847 120.200 -0.380 0.000 2.145 147 E HA 0.295 4.639 4.350 -0.010 0.000 0.262 147 E C -2.031 174.227 176.600 -0.569 0.000 0.883 147 E CA -1.881 54.305 56.400 -0.357 0.000 0.748 147 E CB 1.804 31.351 29.700 -0.254 0.000 1.140 147 E HN 0.070 nan 8.360 nan 0.000 0.417 148 P HA -0.203 nan 4.420 nan 0.000 0.217 148 P C 1.206 178.087 177.300 -0.700 0.000 1.148 148 P CA 1.973 64.447 63.100 -1.042 0.000 0.828 148 P CB 0.420 31.863 31.700 -0.428 0.000 0.783 149 E N 0.047 120.028 120.200 -0.366 0.000 2.267 149 E HA -0.236 4.108 4.350 -0.010 0.000 0.197 149 E C 1.517 177.991 176.600 -0.209 0.000 0.998 149 E CA 1.543 57.817 56.400 -0.210 0.000 0.830 149 E CB -1.456 28.162 29.700 -0.137 0.000 0.751 149 E HN 0.360 nan 8.360 nan 0.000 0.491 150 D N -1.224 118.986 120.400 -0.317 0.000 2.348 150 D HA -0.004 4.630 4.640 -0.010 0.000 0.211 150 D C 1.250 177.427 176.300 -0.206 0.000 0.998 150 D CA 0.172 54.033 54.000 -0.231 0.000 0.873 150 D CB -0.120 40.542 40.800 -0.230 0.000 0.925 150 D HN 0.512 nan 8.370 nan 0.000 0.524 151 Y N 1.477 121.572 120.300 -0.342 0.000 2.081 151 Y HA -0.235 4.309 4.550 -0.010 0.000 0.280 151 Y C 2.614 178.447 175.900 -0.112 0.000 1.163 151 Y CA 0.126 57.889 58.100 -0.562 0.000 1.135 151 Y CB -1.209 36.916 38.460 -0.557 0.000 0.970 151 Y HN -0.160 nan 8.280 nan 0.000 0.498 152 V N -0.438 119.553 119.914 0.129 0.000 2.220 152 V HA -0.358 3.756 4.120 -0.010 0.000 0.250 152 V C 2.424 178.582 176.094 0.106 0.000 1.056 152 V CA 2.146 64.520 62.300 0.124 0.000 1.016 152 V CB -1.370 30.494 31.823 0.069 0.000 0.639 152 V HN 0.278 nan 8.190 nan 0.000 0.446 153 V N -0.234 119.714 119.914 0.056 0.000 2.282 153 V HA -0.268 3.846 4.120 -0.010 0.000 0.249 153 V C 2.387 178.532 176.094 0.085 0.000 1.057 153 V CA 2.167 64.497 62.300 0.051 0.000 1.032 153 V CB -0.807 31.025 31.823 0.016 0.000 0.645 153 V HN 0.426 nan 8.190 nan 0.000 0.447 154 V N 0.311 120.293 119.914 0.114 0.000 2.343 154 V HA -0.238 3.876 4.120 -0.010 0.000 0.247 154 V C 2.538 178.775 176.094 0.237 0.000 1.051 154 V CA 2.332 64.743 62.300 0.185 0.000 1.036 154 V CB -0.833 31.150 31.823 0.266 0.000 0.654 154 V HN 0.604 nan 8.190 nan 0.000 0.451 155 S N -0.153 115.730 115.700 0.305 0.000 2.382 155 S HA -0.190 4.274 4.470 -0.010 0.000 0.228 155 S C 2.030 176.707 174.600 0.129 0.000 1.027 155 S CA 1.878 60.219 58.200 0.236 0.000 0.991 155 S CB -0.442 62.917 63.200 0.265 0.000 0.823 155 S HN 0.694 nan 8.310 nan 0.000 0.469 156 T N 2.201 116.823 114.554 0.113 0.000 2.812 156 T HA -0.010 4.334 4.350 -0.010 0.000 0.264 156 T C 1.735 176.472 174.700 0.062 0.000 1.042 156 T CA 0.927 63.072 62.100 0.074 0.000 1.140 156 T CB -0.215 68.691 68.868 0.062 0.000 0.870 156 T HN 0.461 nan 8.240 nan 0.000 0.445 157 E N 0.873 121.114 120.200 0.068 0.000 2.072 157 E HA -0.042 4.302 4.350 -0.010 0.000 0.191 157 E C 2.210 178.841 176.600 0.052 0.000 0.985 157 E CA 0.976 57.409 56.400 0.055 0.000 0.801 157 E CB -0.207 29.527 29.700 0.057 0.000 0.750 157 E HN 0.482 nan 8.360 nan 0.000 0.452 158 M N 0.480 120.118 119.600 0.064 0.000 2.229 158 M HA -0.200 4.274 4.480 -0.010 0.000 0.264 158 M C 2.501 178.822 176.300 0.034 0.000 1.063 158 M CA 1.372 56.701 55.300 0.049 0.000 1.114 158 M CB -0.142 32.490 32.600 0.053 0.000 1.387 158 M HN 0.093 nan 8.290 nan 0.000 0.420 159 Q N 0.411 120.233 119.800 0.037 0.000 2.049 159 Q HA -0.163 4.171 4.340 -0.010 0.000 0.198 159 Q C 2.014 178.029 176.000 0.024 0.000 0.971 159 Q CA 1.986 57.805 55.803 0.026 0.000 0.833 159 Q CB -0.122 28.633 28.738 0.029 0.000 0.896 159 Q HN 0.508 nan 8.270 nan 0.000 0.434 160 S N -0.204 115.513 115.700 0.028 0.000 2.443 160 S HA -0.200 4.264 4.470 -0.010 0.000 0.246 160 S C 0.882 175.493 174.600 0.019 0.000 1.058 160 S CA 1.357 59.572 58.200 0.024 0.000 1.028 160 S CB -0.379 62.837 63.200 0.027 0.000 0.821 160 S HN 0.452 nan 8.310 nan 0.000 0.484 161 S N -0.909 114.802 115.700 0.019 0.000 2.685 161 S HA 0.407 4.871 4.470 -0.010 0.000 0.282 161 S C 0.322 174.930 174.600 0.013 0.000 1.159 161 S CA -0.076 58.133 58.200 0.015 0.000 0.833 161 S CB 1.446 64.656 63.200 0.016 0.000 1.151 161 S HN 0.381 nan 8.310 nan 0.000 0.485 162 E N 0.698 120.904 120.200 0.010 0.000 2.409 162 E HA -0.046 4.298 4.350 -0.010 0.000 0.198 162 E C 0.887 177.492 176.600 0.008 0.000 1.024 162 E CA 1.294 57.699 56.400 0.008 0.000 0.861 162 E CB -0.175 29.529 29.700 0.007 0.000 0.788 162 E HN 0.568 nan 8.360 nan 0.000 0.521 163 S N 0.686 116.392 115.700 0.011 0.000 2.446 163 S HA 0.015 4.479 4.470 -0.010 0.000 0.225 163 S C 0.479 175.085 174.600 0.011 0.000 1.016 163 S CA 0.473 58.679 58.200 0.011 0.000 0.943 163 S CB 0.025 63.233 63.200 0.014 0.000 0.786 163 S HN 0.263 nan 8.310 nan 0.000 0.508 164 K N 1.066 121.474 120.400 0.013 0.000 3.071 164 K HA -0.196 4.118 4.320 -0.010 0.000 0.265 164 K C -0.866 175.745 176.600 0.019 0.000 1.060 164 K CA 0.818 57.113 56.287 0.013 0.000 0.767 164 K CB -1.239 31.263 32.500 0.004 0.000 1.241 164 K HN 0.434 nan 8.250 nan 0.000 0.486 165 D N -0.657 119.758 120.400 0.025 0.000 2.490 165 D HA 0.343 4.977 4.640 -0.010 0.000 0.232 165 D C -0.101 176.222 176.300 0.039 0.000 1.053 165 D CA -0.238 53.780 54.000 0.030 0.000 0.914 165 D CB 1.320 42.134 40.800 0.023 0.000 1.431 165 D HN 0.097 nan 8.370 nan 0.000 0.483 166 T N -0.984 113.599 114.554 0.047 0.000 2.788 166 T HA 0.536 4.880 4.350 -0.010 0.000 0.280 166 T C 0.525 175.250 174.700 0.042 0.000 0.984 166 T CA -0.759 61.372 62.100 0.052 0.000 0.972 166 T CB 0.744 69.648 68.868 0.061 0.000 1.039 166 T HN 0.380 nan 8.240 nan 0.000 0.530 167 S N 0.381 116.106 115.700 0.041 0.000 2.617 167 S HA 0.272 4.736 4.470 -0.010 0.000 0.269 167 S C 1.101 175.728 174.600 0.045 0.000 1.292 167 S CA -0.915 57.308 58.200 0.037 0.000 1.010 167 S CB 0.744 63.965 63.200 0.034 0.000 0.944 167 S HN 0.707 nan 8.310 nan 0.000 0.536 168 L N 0.753 122.002 121.223 0.044 0.000 2.083 168 L HA 0.007 4.341 4.340 -0.010 0.000 0.209 168 L C 2.462 179.377 176.870 0.074 0.000 1.083 168 L CA 1.884 56.759 54.840 0.058 0.000 0.752 168 L CB -1.224 40.863 42.059 0.046 0.000 0.899 168 L HN 0.869 nan 8.230 nan 0.000 0.433 169 E N -0.427 119.806 120.200 0.055 0.000 2.038 169 E HA -0.206 4.138 4.350 -0.010 0.000 0.195 169 E C 2.106 178.733 176.600 0.045 0.000 1.000 169 E CA 1.973 58.403 56.400 0.050 0.000 0.803 169 E CB -0.425 29.296 29.700 0.035 0.000 0.750 169 E HN 0.544 nan 8.360 nan 0.000 0.448 170 T N 0.886 115.464 114.554 0.039 0.000 2.684 170 T HA -0.133 4.211 4.350 -0.010 0.000 0.267 170 T C 1.897 176.618 174.700 0.034 0.000 1.036 170 T CA 1.245 63.363 62.100 0.029 0.000 1.148 170 T CB -0.136 68.750 68.868 0.029 0.000 0.863 170 T HN 0.184 nan 8.240 nan 0.000 0.436 171 R N 0.583 121.119 120.500 0.060 0.000 2.159 171 R HA 0.007 4.341 4.340 -0.010 0.000 0.237 171 R C 2.654 179.004 176.300 0.085 0.000 1.131 171 R CA 0.955 57.104 56.100 0.083 0.000 0.982 171 R CB -0.161 30.211 30.300 0.120 0.000 0.868 171 R HN 0.374 nan 8.270 nan 0.000 0.453 172 R N 0.168 120.723 120.500 0.090 0.000 2.066 172 R HA -0.087 4.247 4.340 -0.010 0.000 0.232 172 R C 2.320 178.581 176.300 -0.065 0.000 1.131 172 R CA 1.022 57.127 56.100 0.008 0.000 0.955 172 R CB -0.042 30.298 30.300 0.067 0.000 0.851 172 R HN 0.163 nan 8.270 nan 0.000 0.432 173 Q N 0.714 120.501 119.800 -0.021 0.000 2.084 173 Q HA -0.101 4.233 4.340 -0.010 0.000 0.202 173 Q C 2.280 178.252 176.000 -0.046 0.000 0.978 173 Q CA 1.269 57.055 55.803 -0.028 0.000 0.844 173 Q CB -0.257 28.472 28.738 -0.015 0.000 0.898 173 Q HN 0.384 nan 8.270 nan 0.000 0.426 174 L N 0.150 121.344 121.223 -0.048 0.000 2.083 174 L HA -0.162 4.172 4.340 -0.010 0.000 0.209 174 L C 2.421 179.233 176.870 -0.096 0.000 1.083 174 L CA 1.053 55.851 54.840 -0.070 0.000 0.752 174 L CB -0.658 41.369 42.059 -0.054 0.000 0.899 174 L HN 0.130 nan 8.230 nan 0.000 0.433 175 A N 0.063 122.817 122.820 -0.109 0.000 1.902 175 A HA -0.235 4.080 4.320 -0.010 0.000 0.217 175 A C 2.203 179.758 177.584 -0.049 0.000 1.181 175 A CA 1.682 53.631 52.037 -0.147 0.000 0.623 175 A CB -0.682 18.116 19.000 -0.337 0.000 0.818 175 A HN 0.326 nan 8.150 nan 0.000 0.443 176 L N -0.026 121.180 121.223 -0.028 0.000 2.042 176 L HA -0.163 4.171 4.340 -0.010 0.000 0.210 176 L C 2.172 179.069 176.870 0.044 0.000 1.076 176 L CA 2.315 57.181 54.840 0.044 0.000 0.749 176 L CB -0.570 41.493 42.059 0.006 0.000 0.893 176 L HN 0.361 nan 8.230 nan 0.000 0.432 177 K N -0.616 119.775 120.400 -0.015 0.000 2.097 177 K HA -0.077 4.237 4.320 -0.010 0.000 0.205 177 K C 2.085 178.665 176.600 -0.034 0.000 1.050 177 K CA 1.165 57.439 56.287 -0.022 0.000 0.938 177 K CB -0.366 32.093 32.500 -0.069 0.000 0.718 177 K HN 0.489 nan 8.250 nan 0.000 0.442 178 A N 1.172 123.921 122.820 -0.118 0.000 1.865 178 A HA -0.165 4.150 4.320 -0.010 0.000 0.217 178 A C 1.920 179.410 177.584 -0.157 0.000 1.191 178 A CA 1.438 53.349 52.037 -0.209 0.000 0.623 178 A CB -0.761 18.016 19.000 -0.372 0.000 0.826 178 A HN 0.186 nan 8.150 nan 0.000 0.444 179 F N 0.672 120.623 119.950 0.003 0.000 2.234 179 F HA -0.082 4.440 4.527 -0.010 0.000 0.299 179 F C 2.704 178.520 175.800 0.026 0.000 1.087 179 F CA 1.624 59.630 58.000 0.010 0.000 1.340 179 F CB -0.940 38.053 39.000 -0.012 0.000 1.031 179 F HN 0.144 nan 8.300 nan 0.000 0.500 180 T N -2.041 112.624 114.554 0.185 0.000 2.777 180 T HA -0.219 4.125 4.350 -0.010 0.000 0.266 180 T C 1.736 176.513 174.700 0.129 0.000 1.040 180 T CA 1.712 63.889 62.100 0.128 0.000 1.141 180 T CB -0.461 68.463 68.868 0.094 0.000 0.868 180 T HN 0.295 nan 8.240 nan 0.000 0.444 181 H N 1.347 120.423 119.070 0.011 0.000 2.290 181 H HA -0.109 4.441 4.556 -0.010 0.000 0.298 181 H C 2.498 177.839 175.328 0.022 0.000 1.087 181 H CA 2.406 58.449 56.048 -0.007 0.000 1.291 181 H CB -0.408 29.317 29.762 -0.061 0.000 1.369 181 H HN 0.425 nan 8.280 nan 0.000 0.492 182 T N -2.041 112.588 114.554 0.124 0.000 2.821 182 T HA -0.080 4.264 4.350 -0.010 0.000 0.267 182 T C 2.264 177.030 174.700 0.109 0.000 1.046 182 T CA 1.156 63.310 62.100 0.090 0.000 1.139 182 T CB -0.844 68.079 68.868 0.091 0.000 0.871 182 T HN 0.416 nan 8.240 nan 0.000 0.454 183 A N 1.829 124.714 122.820 0.108 0.000 1.940 183 A HA -0.158 4.156 4.320 -0.010 0.000 0.219 183 A C 2.449 180.054 177.584 0.035 0.000 1.176 183 A CA 1.722 53.801 52.037 0.071 0.000 0.631 183 A CB -0.818 18.224 19.000 0.070 0.000 0.814 183 A HN 0.679 nan 8.150 nan 0.000 0.446 184 Q N -2.441 117.379 119.800 0.034 0.000 2.230 184 Q HA -0.120 4.214 4.340 -0.010 0.000 0.202 184 Q C 1.924 177.937 176.000 0.022 0.000 0.963 184 Q CA 1.258 57.068 55.803 0.013 0.000 0.866 184 Q CB -0.247 28.492 28.738 0.001 0.000 0.931 184 Q HN 0.804 nan 8.270 nan 0.000 0.452 185 Y N 2.116 122.341 120.300 -0.125 0.000 2.114 185 Y HA -0.239 4.305 4.550 -0.010 0.000 0.284 185 Y C 1.662 177.460 175.900 -0.170 0.000 1.143 185 Y CA 1.764 59.781 58.100 -0.138 0.000 1.135 185 Y CB -0.104 38.268 38.460 -0.146 0.000 0.980 185 Y HN 0.066 nan 8.280 nan 0.000 0.499 186 D N -0.196 120.149 120.400 -0.091 0.000 2.144 186 D HA -0.177 4.457 4.640 -0.010 0.000 0.200 186 D C 2.112 178.280 176.300 -0.219 0.000 0.978 186 D CA 1.483 55.349 54.000 -0.223 0.000 0.833 186 D CB -0.354 40.379 40.800 -0.113 0.000 0.961 186 D HN 0.628 nan 8.370 nan 0.000 0.470 187 E N 0.509 120.636 120.200 -0.122 0.000 2.110 187 E HA -0.180 4.164 4.350 -0.010 0.000 0.193 187 E C 1.908 178.438 176.600 -0.117 0.000 0.988 187 E CA 1.173 57.514 56.400 -0.098 0.000 0.804 187 E CB 0.000 29.672 29.700 -0.047 0.000 0.745 187 E HN 0.172 nan 8.360 nan 0.000 0.458 188 A N 0.909 123.658 122.820 -0.118 0.000 1.930 188 A HA -0.106 4.208 4.320 -0.010 0.000 0.217 188 A C 2.161 179.701 177.584 -0.074 0.000 1.175 188 A CA 1.189 53.202 52.037 -0.040 0.000 0.627 188 A CB -0.480 18.539 19.000 0.032 0.000 0.815 188 A HN 0.353 nan 8.150 nan 0.000 0.443 189 I N 0.587 120.874 120.570 -0.471 0.000 2.286 189 I HA -0.224 3.940 4.170 -0.010 0.000 0.245 189 I C 2.877 178.801 176.117 -0.323 0.000 1.104 189 I CA 1.464 62.322 61.300 -0.736 0.000 1.397 189 I CB -0.230 37.106 38.000 -1.106 0.000 1.072 189 I HN 0.488 nan 8.210 nan 0.000 0.417 190 S N 0.131 115.648 115.700 -0.304 0.000 2.382 190 S HA -0.262 4.202 4.470 -0.010 0.000 0.228 190 S C 1.693 176.251 174.600 -0.070 0.000 1.027 190 S CA 1.611 59.693 58.200 -0.198 0.000 0.991 190 S CB -0.565 62.535 63.200 -0.166 0.000 0.823 190 S HN 0.454 nan 8.310 nan 0.000 0.469 191 D N 0.340 120.693 120.400 -0.079 0.000 2.117 191 D HA -0.168 4.466 4.640 -0.010 0.000 0.197 191 D C 1.765 178.078 176.300 0.022 0.000 0.987 191 D CA 1.111 55.046 54.000 -0.108 0.000 0.829 191 D CB -0.449 40.283 40.800 -0.114 0.000 0.961 191 D HN 0.482 nan 8.370 nan 0.000 0.460 192 Y N -0.202 120.123 120.300 0.041 0.000 2.145 192 Y HA -0.161 4.383 4.550 -0.010 0.000 0.286 192 Y C 1.857 177.797 175.900 0.066 0.000 1.145 192 Y CA 1.540 59.710 58.100 0.116 0.000 1.148 192 Y CB -0.595 38.090 38.460 0.374 0.000 0.981 192 Y HN -0.051 nan 8.280 nan 0.000 0.507 193 F N 0.110 119.962 119.950 -0.164 0.000 2.216 193 F HA -0.141 4.380 4.527 -0.010 0.000 0.300 193 F C 2.655 178.312 175.800 -0.239 0.000 1.085 193 F CA 1.641 59.470 58.000 -0.285 0.000 1.326 193 F CB -0.853 38.147 39.000 0.000 0.000 1.027 193 F HN -0.023 nan 8.300 nan 0.000 0.497 194 R N 0.448 120.964 120.500 0.027 0.000 2.066 194 R HA -0.126 4.208 4.340 -0.010 0.000 0.232 194 R C 2.174 178.410 176.300 -0.106 0.000 1.131 194 R CA 1.452 57.538 56.100 -0.024 0.000 0.955 194 R CB -0.105 30.155 30.300 -0.067 0.000 0.851 194 R HN 0.146 nan 8.270 nan 0.000 0.432 195 K N -0.440 119.855 120.400 -0.176 0.000 2.148 195 K HA -0.112 4.202 4.320 -0.010 0.000 0.204 195 K C 2.150 178.569 176.600 -0.300 0.000 1.050 195 K CA 0.985 57.151 56.287 -0.202 0.000 0.942 195 K CB 0.136 32.527 32.500 -0.182 0.000 0.724 195 K HN 0.159 nan 8.250 nan 0.000 0.446 196 Q N -0.734 118.742 119.800 -0.539 0.000 2.204 196 Q HA -0.022 4.312 4.340 -0.010 0.000 0.198 196 Q C 1.141 176.895 176.000 -0.410 0.000 0.946 196 Q CA 1.335 56.734 55.803 -0.673 0.000 0.859 196 Q CB 0.259 28.225 28.738 -1.288 0.000 0.946 196 Q HN 0.432 nan 8.270 nan 0.000 0.474 197 Y N -1.573 118.605 120.300 -0.204 0.000 2.481 197 Y HA 0.360 4.904 4.550 -0.010 0.000 0.247 197 Y C 1.286 177.140 175.900 -0.077 0.000 1.151 197 Y CA -0.520 57.497 58.100 -0.138 0.000 1.238 197 Y CB 0.677 39.050 38.460 -0.146 0.000 1.179 197 Y HN -0.139 nan 8.280 nan 0.000 0.524 198 S N -0.004 115.724 115.700 0.047 0.000 2.855 198 S HA 0.130 4.594 4.470 -0.010 0.000 0.249 198 S C 0.210 174.810 174.600 0.000 0.000 1.033 198 S CA -0.530 57.691 58.200 0.035 0.000 1.038 198 S CB -0.137 63.092 63.200 0.049 0.000 0.960 198 S HN 0.216 nan 8.310 nan 0.000 0.548 199 K N 1.154 121.541 120.400 -0.021 0.000 2.402 199 K HA 0.285 4.600 4.320 -0.010 0.000 0.279 199 K C 1.101 177.687 176.600 -0.022 0.000 1.082 199 K CA 1.281 57.550 56.287 -0.030 0.000 1.080 199 K CB -0.414 32.060 32.500 -0.043 0.000 0.899 199 K HN 0.340 nan 8.250 nan 0.000 0.469 200 G N 2.117 110.903 108.800 -0.023 0.000 2.176 200 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.232 200 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.232 200 G C 0.417 175.300 174.900 -0.027 0.000 0.986 200 G CA 0.156 45.238 45.100 -0.029 0.000 0.643 200 G HN 0.467 nan 8.290 nan 0.000 0.522 201 V N 0.646 120.551 119.914 -0.015 0.000 2.784 201 V HA 0.292 4.406 4.120 -0.010 0.000 0.231 201 V C 2.365 178.455 176.094 -0.007 0.000 1.128 201 V CA 2.380 64.673 62.300 -0.011 0.000 1.178 201 V CB 0.334 32.159 31.823 0.004 0.000 0.943 201 V HN 0.968 nan 8.190 nan 0.000 0.500 202 S N -1.610 114.099 115.700 0.014 0.000 2.603 202 S HA 0.235 4.699 4.470 -0.010 0.000 0.232 202 S C 0.516 175.156 174.600 0.067 0.000 1.016 202 S CA -0.159 58.061 58.200 0.034 0.000 0.976 202 S CB 0.523 63.755 63.200 0.053 0.000 0.921 202 S HN 0.428 nan 8.310 nan 0.000 0.516 203 Q N 1.022 120.847 119.800 0.042 0.000 2.423 203 Q HA 0.623 4.957 4.340 -0.010 0.000 0.278 203 Q C -1.878 174.134 176.000 0.020 0.000 1.097 203 Q CA -0.586 55.252 55.803 0.058 0.000 0.809 203 Q CB 2.251 30.993 28.738 0.006 0.000 1.391 203 Q HN 0.541 nan 8.270 nan 0.000 0.428 204 M N 3.961 123.577 119.600 0.028 0.000 2.265 204 M HA 0.397 4.871 4.480 -0.010 0.000 0.251 204 M C -2.756 173.541 176.300 -0.005 0.000 1.005 204 M CA -1.354 53.941 55.300 -0.007 0.000 0.998 204 M CB 2.228 34.807 32.600 -0.035 0.000 2.070 204 M HN 0.216 nan 8.290 nan 0.000 0.476 205 P HA 0.217 nan 4.420 nan 0.000 0.268 205 P C -1.299 175.989 177.300 -0.019 0.000 1.205 205 P CA 0.121 63.218 63.100 -0.004 0.000 0.771 205 P CB 0.515 32.209 31.700 -0.010 0.000 0.858 206 L N 3.214 124.431 121.223 -0.009 0.000 2.330 206 L HA 0.441 4.775 4.340 -0.010 0.000 0.271 206 L C 1.860 178.691 176.870 -0.065 0.000 1.013 206 L CA -0.894 53.919 54.840 -0.044 0.000 0.816 206 L CB 1.504 43.554 42.059 -0.015 0.000 1.287 206 L HN 0.359 nan 8.230 nan 0.000 0.435 207 R N 1.241 121.640 120.500 -0.169 0.000 2.112 207 R HA -0.159 4.175 4.340 -0.010 0.000 0.242 207 R C -0.508 175.727 176.300 -0.109 0.000 1.137 207 R CA 2.106 58.078 56.100 -0.215 0.000 0.944 207 R CB -0.295 29.729 30.300 -0.461 0.000 0.857 207 R HN 0.631 nan 8.270 nan 0.000 0.435 208 Y N -4.593 115.743 120.300 0.060 0.000 2.788 208 Y HA 0.561 5.105 4.550 -0.010 0.000 0.335 208 Y C 0.273 176.226 175.900 0.089 0.000 1.287 208 Y CA -1.048 57.081 58.100 0.050 0.000 1.068 208 Y CB 0.079 38.550 38.460 0.020 0.000 1.340 208 Y HN -0.044 nan 8.280 nan 0.000 0.449 209 G N 0.234 109.219 108.800 0.308 0.000 2.873 209 G HA2 0.220 4.175 3.960 -0.010 0.000 0.170 209 G HA3 0.220 4.175 3.960 -0.010 0.000 0.170 209 G C 0.492 175.450 174.900 0.097 0.000 1.608 209 G CA 0.040 45.228 45.100 0.147 0.000 1.084 209 G HN 0.704 nan 8.290 nan 0.000 0.563 210 M N 0.073 119.489 119.600 -0.308 0.000 2.279 210 M HA 0.098 4.572 4.480 -0.010 0.000 0.264 210 M C 0.080 176.362 176.300 -0.031 0.000 1.062 210 M CA 0.872 56.050 55.300 -0.205 0.000 1.099 210 M CB -0.253 32.147 32.600 -0.333 0.000 1.394 210 M HN 0.316 nan 8.290 nan 0.000 0.426 211 N N -2.027 116.591 118.700 -0.137 0.000 2.331 211 N HA 0.230 4.964 4.740 -0.010 0.000 0.280 211 N C -2.469 172.764 175.510 -0.460 0.000 1.155 211 N CA -1.117 51.791 53.050 -0.237 0.000 0.822 211 N CB 1.474 39.851 38.487 -0.185 0.000 1.619 211 N HN -0.293 nan 8.380 nan 0.000 0.476 212 P HA -0.230 nan 4.420 nan 0.000 0.219 212 P C 1.085 178.240 177.300 -0.242 0.000 1.153 212 P CA 1.678 64.309 63.100 -0.782 0.000 0.865 212 P CB -0.072 31.293 31.700 -0.559 0.000 0.788 213 H N -1.674 117.299 119.070 -0.161 0.000 2.555 213 H HA 0.087 4.637 4.556 -0.010 0.000 0.269 213 H C 0.320 175.631 175.328 -0.027 0.000 0.988 213 H CA 0.411 56.418 56.048 -0.069 0.000 1.178 213 H CB -0.774 28.954 29.762 -0.056 0.000 1.373 213 H HN 0.244 nan 8.280 nan 0.000 0.588 214 Q N 1.672 121.225 119.800 -0.410 0.000 2.490 214 Q HA 0.288 4.622 4.340 -0.010 0.000 0.226 214 Q C -0.590 175.387 176.000 -0.038 0.000 1.132 214 Q CA -0.185 55.473 55.803 -0.242 0.000 0.928 214 Q CB 1.214 29.745 28.738 -0.346 0.000 1.299 214 Q HN 0.241 nan 8.270 nan 0.000 0.528 215 T N 1.149 115.711 114.554 0.015 0.000 2.900 215 T HA 0.579 4.923 4.350 -0.010 0.000 0.303 215 T C -2.271 172.461 174.700 0.054 0.000 1.142 215 T CA -1.355 60.785 62.100 0.066 0.000 1.007 215 T CB 1.149 70.071 68.868 0.090 0.000 1.156 215 T HN 0.382 nan 8.240 nan 0.000 0.490 216 P HA 0.785 nan 4.420 nan 0.000 0.289 216 P C -1.414 175.943 177.300 0.096 0.000 1.299 216 P CA -0.669 62.475 63.100 0.074 0.000 0.766 216 P CB 0.526 32.261 31.700 0.057 0.000 1.226 217 A N -0.290 122.597 122.820 0.112 0.000 2.589 217 A HA 0.605 4.920 4.320 -0.010 0.000 0.296 217 A C -1.272 176.390 177.584 0.130 0.000 1.062 217 A CA -0.571 51.565 52.037 0.165 0.000 0.686 217 A CB 1.686 20.826 19.000 0.234 0.000 1.282 217 A HN 0.779 nan 8.150 nan 0.000 0.404 218 Q N 0.367 120.256 119.800 0.148 0.000 2.534 218 Q HA 0.794 5.128 4.340 -0.010 0.000 0.290 218 Q C -1.910 174.148 176.000 0.096 0.000 0.991 218 Q CA -0.905 54.965 55.803 0.110 0.000 0.783 218 Q CB 1.685 30.500 28.738 0.129 0.000 1.470 218 Q HN 1.209 nan 8.270 nan 0.000 0.406 219 L N 1.935 123.188 121.223 0.050 0.000 2.342 219 L HA 0.838 5.173 4.340 -0.010 0.000 0.271 219 L C -1.669 175.257 176.870 0.094 0.000 1.008 219 L CA -0.400 54.414 54.840 -0.043 0.000 0.818 219 L CB 1.839 43.820 42.059 -0.131 0.000 1.296 219 L HN 0.803 nan 8.230 nan 0.000 0.427 220 Y N 0.164 120.417 120.300 -0.079 0.000 2.732 220 Y HA 0.673 5.217 4.550 -0.009 0.000 0.342 220 Y C -1.223 174.646 175.900 -0.052 0.000 1.203 220 Y CA -0.695 57.370 58.100 -0.059 0.000 1.092 220 Y CB 0.799 39.240 38.460 -0.033 0.000 1.345 220 Y HN 0.774 nan 8.280 nan 0.000 0.458 221 T N 0.951 115.588 114.554 0.138 0.000 2.887 221 T HA 0.539 4.883 4.350 -0.010 0.000 0.292 221 T C -0.333 174.484 174.700 0.195 0.000 1.087 221 T CA -0.908 61.229 62.100 0.061 0.000 1.009 221 T CB 1.292 70.161 68.868 0.002 0.000 1.203 221 T HN 0.824 nan 8.240 nan 0.000 0.518 222 L N 1.250 122.553 121.223 0.132 0.000 2.640 222 L HA 0.292 4.626 4.340 -0.010 0.000 0.230 222 L C 0.849 177.766 176.870 0.079 0.000 1.123 222 L CA -0.190 54.721 54.840 0.118 0.000 0.900 222 L CB 0.080 42.199 42.059 0.100 0.000 1.146 222 L HN 0.458 nan 8.230 nan 0.000 0.484 223 Q N 0.335 120.181 119.800 0.076 0.000 2.312 223 Q HA 0.176 4.510 4.340 -0.010 0.000 0.236 223 Q C -1.460 174.574 176.000 0.056 0.000 0.965 223 Q CA -1.809 54.035 55.803 0.067 0.000 0.894 223 Q CB 0.588 29.379 28.738 0.089 0.000 1.225 223 Q HN -0.138 nan 8.270 nan 0.000 0.478 224 P HA -0.109 nan 4.420 nan 0.000 0.218 224 P C -0.260 177.059 177.300 0.031 0.000 1.146 224 P CA 1.560 64.684 63.100 0.040 0.000 0.813 224 P CB 0.389 32.108 31.700 0.032 0.000 0.778 225 K N -1.221 119.193 120.400 0.023 0.000 2.542 225 K HA 0.327 4.641 4.320 -0.010 0.000 0.259 225 K C -1.128 175.454 176.600 -0.030 0.000 0.932 225 K CA -0.771 55.516 56.287 0.000 0.000 0.820 225 K CB 1.221 33.719 32.500 -0.004 0.000 1.345 225 K HN -0.197 nan 8.250 nan 0.000 0.432 226 L N 4.967 126.151 121.223 -0.065 0.000 2.453 226 L HA 0.197 4.531 4.340 -0.010 0.000 0.272 226 L C -1.240 175.519 176.870 -0.186 0.000 1.182 226 L CA -1.168 53.586 54.840 -0.144 0.000 0.858 226 L CB 0.685 42.661 42.059 -0.139 0.000 1.120 226 L HN 0.617 nan 8.230 nan 0.000 0.474 227 P HA 0.018 nan 4.420 nan 0.000 0.245 227 P C -0.012 177.106 177.300 -0.304 0.000 1.212 227 P CA 0.773 63.692 63.100 -0.301 0.000 0.774 227 P CB 0.447 31.829 31.700 -0.531 0.000 0.999 228 I N 0.639 121.031 120.570 -0.297 0.000 2.465 228 I HA 0.401 4.565 4.170 -0.010 0.000 0.291 228 I C -1.032 174.977 176.117 -0.180 0.000 1.014 228 I CA -0.674 60.466 61.300 -0.267 0.000 1.093 228 I CB 2.404 40.221 38.000 -0.304 0.000 1.267 228 I HN -0.212 nan 8.210 nan 0.000 0.431 229 T N 3.913 118.381 114.554 -0.144 0.000 2.893 229 T HA 0.566 4.910 4.350 -0.010 0.000 0.291 229 T C -0.621 174.025 174.700 -0.089 0.000 1.028 229 T CA -0.718 61.320 62.100 -0.103 0.000 0.995 229 T CB 1.748 70.569 68.868 -0.079 0.000 1.051 229 T HN 0.266 nan 8.240 nan 0.000 0.470 230 V N 4.320 124.184 119.914 -0.084 0.000 2.368 230 V HA 0.233 4.347 4.120 -0.010 0.000 0.266 230 V C 1.187 177.229 176.094 -0.087 0.000 1.045 230 V CA -0.478 61.771 62.300 -0.086 0.000 0.899 230 V CB 0.237 32.010 31.823 -0.083 0.000 1.006 230 V HN 0.879 nan 8.190 nan 0.000 0.470 231 L N 2.995 124.153 121.223 -0.110 0.000 2.375 231 L HA 0.269 4.603 4.340 -0.010 0.000 0.215 231 L C 0.720 177.513 176.870 -0.130 0.000 1.108 231 L CA 0.698 55.463 54.840 -0.124 0.000 0.830 231 L CB -0.001 41.951 42.059 -0.179 0.000 0.959 231 L HN 0.708 nan 8.230 nan 0.000 0.457 232 N N -1.344 117.273 118.700 -0.139 0.000 2.446 232 N HA 0.497 5.231 4.740 -0.010 0.000 0.272 232 N C -0.280 175.162 175.510 -0.113 0.000 1.127 232 N CA 0.631 53.612 53.050 -0.115 0.000 0.896 232 N CB 1.744 40.162 38.487 -0.116 0.000 1.658 232 N HN 0.170 nan 8.380 nan 0.000 0.483 233 G N 1.060 109.812 108.800 -0.081 0.000 2.642 233 G HA2 0.374 4.328 3.960 -0.010 0.000 0.231 233 G HA3 0.374 4.328 3.960 -0.010 0.000 0.231 233 G C -0.972 173.882 174.900 -0.077 0.000 1.338 233 G CA -0.175 44.880 45.100 -0.077 0.000 0.883 233 G HN 1.301 nan 8.290 nan 0.000 0.570 234 A N 0.754 123.528 122.820 -0.078 0.000 2.476 234 A HA 0.812 5.126 4.320 -0.010 0.000 0.280 234 A C -2.073 175.456 177.584 -0.092 0.000 1.081 234 A CA -0.318 51.672 52.037 -0.079 0.000 0.753 234 A CB 1.925 20.883 19.000 -0.070 0.000 1.248 234 A HN 0.933 nan 8.150 nan 0.000 0.424 235 P HA 0.371 nan 4.420 nan 0.000 0.272 235 P C 0.409 177.636 177.300 -0.121 0.000 1.223 235 P CA 0.355 63.406 63.100 -0.083 0.000 0.784 235 P CB 1.479 33.132 31.700 -0.078 0.000 0.923 236 G N 0.195 108.920 108.800 -0.125 0.000 2.887 236 G HA2 0.309 4.263 3.960 -0.010 0.000 0.277 236 G HA3 0.309 4.263 3.960 -0.010 0.000 0.277 236 G C 0.044 174.927 174.900 -0.027 0.000 1.346 236 G CA -0.689 44.313 45.100 -0.164 0.000 1.058 236 G HN 0.372 nan 8.290 nan 0.000 0.535 237 F N -0.127 119.773 119.950 -0.084 0.000 2.051 237 F HA -0.020 4.501 4.527 -0.010 0.000 0.296 237 F C 2.600 178.384 175.800 -0.026 0.000 1.122 237 F CA 1.550 59.534 58.000 -0.026 0.000 1.201 237 F CB -0.154 38.865 39.000 0.031 0.000 0.978 237 F HN 0.218 nan 8.300 nan 0.000 0.472 238 I N 0.254 121.030 120.570 0.342 0.000 2.361 238 I HA -0.350 3.814 4.170 -0.010 0.000 0.251 238 I C 1.950 178.073 176.117 0.011 0.000 1.133 238 I CA 1.612 63.036 61.300 0.206 0.000 1.413 238 I CB -0.792 37.328 38.000 0.200 0.000 1.073 238 I HN 0.283 nan 8.210 nan 0.000 0.424 239 N N 0.894 119.582 118.700 -0.020 0.000 2.061 239 N HA -0.197 4.537 4.740 -0.010 0.000 0.193 239 N C 1.910 177.162 175.510 -0.429 0.000 1.030 239 N CA 1.177 54.156 53.050 -0.119 0.000 0.856 239 N CB -0.114 38.385 38.487 0.019 0.000 1.023 239 N HN 0.294 nan 8.380 nan 0.000 0.424 240 L N 0.214 121.257 121.223 -0.299 0.000 2.109 240 L HA -0.125 4.209 4.340 -0.010 0.000 0.207 240 L C 2.401 179.077 176.870 -0.324 0.000 1.086 240 L CA 0.573 55.204 54.840 -0.348 0.000 0.760 240 L CB -0.430 41.440 42.059 -0.316 0.000 0.910 240 L HN 0.388 nan 8.230 nan 0.000 0.437 241 C N 0.021 119.187 119.300 -0.223 0.000 2.413 241 C HA -0.183 4.272 4.460 -0.010 0.000 0.276 241 C C 2.479 177.404 174.990 -0.108 0.000 1.236 241 C CA 0.711 59.672 59.018 -0.095 0.000 1.735 241 C CB -0.718 27.062 27.740 0.066 0.000 2.031 241 C HN 0.551 nan 8.230 nan 0.000 0.474 242 D N 0.702 120.987 120.400 -0.192 0.000 2.097 242 D HA -0.073 4.561 4.640 -0.010 0.000 0.195 242 D C 2.329 178.258 176.300 -0.619 0.000 0.989 242 D CA 1.734 55.592 54.000 -0.237 0.000 0.827 242 D CB -0.608 40.052 40.800 -0.233 0.000 0.966 242 D HN 0.482 nan 8.370 nan 0.000 0.456 243 A N 1.094 123.382 122.820 -0.886 0.000 1.851 243 A HA -0.162 4.152 4.320 -0.010 0.000 0.216 243 A C 2.455 179.829 177.584 -0.350 0.000 1.195 243 A CA 1.245 52.842 52.037 -0.734 0.000 0.622 243 A CB -0.985 17.580 19.000 -0.726 0.000 0.831 243 A HN 0.226 nan 8.150 nan 0.000 0.444 244 L N -0.440 120.620 121.223 -0.273 0.000 2.141 244 L HA -0.163 4.171 4.340 -0.010 0.000 0.209 244 L C 2.321 179.116 176.870 -0.126 0.000 1.094 244 L CA 1.048 55.817 54.840 -0.118 0.000 0.763 244 L CB -0.634 41.363 42.059 -0.103 0.000 0.908 244 L HN 0.438 nan 8.230 nan 0.000 0.437 245 N N 0.213 118.785 118.700 -0.214 0.000 2.207 245 N HA -0.059 4.676 4.740 -0.010 0.000 0.182 245 N C 1.930 177.069 175.510 -0.619 0.000 1.020 245 N CA 1.337 54.252 53.050 -0.225 0.000 0.858 245 N CB 0.064 38.648 38.487 0.163 0.000 0.991 245 N HN 0.267 nan 8.380 nan 0.000 0.427 246 A N 1.359 123.599 122.820 -0.967 0.000 1.930 246 A HA -0.142 4.172 4.320 -0.010 0.000 0.217 246 A C 2.014 179.356 177.584 -0.404 0.000 1.175 246 A CA 0.775 52.204 52.037 -1.014 0.000 0.627 246 A CB -1.086 17.248 19.000 -1.109 0.000 0.815 246 A HN 0.611 nan 8.150 nan 0.000 0.443 247 W N 0.801 121.858 121.300 -0.405 0.000 2.338 247 W HA -0.237 4.417 4.660 -0.009 0.000 0.304 247 W C 1.899 178.263 176.519 -0.259 0.000 1.212 247 W CA 1.922 59.117 57.345 -0.249 0.000 1.264 247 W CB -0.244 29.101 29.460 -0.192 0.000 1.142 247 W HN 0.500 nan 8.180 nan 0.000 0.512 248 Q N 0.624 120.084 119.800 -0.568 0.000 2.079 248 Q HA -0.220 4.114 4.340 -0.010 0.000 0.200 248 Q C 2.530 178.084 176.000 -0.743 0.000 0.974 248 Q CA 1.751 57.130 55.803 -0.706 0.000 0.840 248 Q CB -0.540 27.784 28.738 -0.690 0.000 0.898 248 Q HN 0.386 nan 8.270 nan 0.000 0.430 249 L N 0.805 121.536 121.223 -0.820 0.000 1.970 249 L HA -0.201 4.133 4.340 -0.010 0.000 0.212 249 L C 2.412 179.157 176.870 -0.209 0.000 1.071 249 L CA 1.603 56.232 54.840 -0.353 0.000 0.751 249 L CB -0.388 41.633 42.059 -0.063 0.000 0.889 249 L HN 0.234 nan 8.230 nan 0.000 0.432 250 V N -2.252 117.509 119.914 -0.255 0.000 2.407 250 V HA -0.288 3.826 4.120 -0.010 0.000 0.248 250 V C 2.538 178.434 176.094 -0.330 0.000 1.055 250 V CA 2.133 64.306 62.300 -0.213 0.000 1.049 250 V CB -0.999 30.732 31.823 -0.154 0.000 0.662 250 V HN 0.516 nan 8.190 nan 0.000 0.455 251 K N 0.544 120.575 120.400 -0.615 0.000 2.032 251 K HA -0.239 4.075 4.320 -0.010 0.000 0.209 251 K C 2.260 178.679 176.600 -0.301 0.000 1.048 251 K CA 2.233 58.158 56.287 -0.604 0.000 0.927 251 K CB -0.305 31.644 32.500 -0.917 0.000 0.712 251 K HN 0.656 nan 8.250 nan 0.000 0.441 252 E N 0.467 120.523 120.200 -0.239 0.000 2.204 252 E HA -0.160 4.184 4.350 -0.010 0.000 0.195 252 E C 2.033 178.602 176.600 -0.052 0.000 0.990 252 E CA 0.713 57.057 56.400 -0.093 0.000 0.821 252 E CB 0.048 29.752 29.700 0.007 0.000 0.750 252 E HN 0.340 nan 8.360 nan 0.000 0.477 253 L N 0.510 121.695 121.223 -0.064 0.000 2.044 253 L HA -0.168 4.166 4.340 -0.010 0.000 0.205 253 L C 2.487 179.337 176.870 -0.033 0.000 1.075 253 L CA 1.018 55.843 54.840 -0.024 0.000 0.747 253 L CB -0.176 41.876 42.059 -0.011 0.000 0.903 253 L HN 0.011 nan 8.230 nan 0.000 0.435 254 K N 0.743 121.105 120.400 -0.064 0.000 2.009 254 K HA -0.215 4.099 4.320 -0.010 0.000 0.210 254 K C 1.844 178.419 176.600 -0.041 0.000 1.049 254 K CA 1.733 57.989 56.287 -0.051 0.000 0.929 254 K CB -0.154 32.301 32.500 -0.075 0.000 0.714 254 K HN 0.253 nan 8.250 nan 0.000 0.440 255 E N -0.384 119.782 120.200 -0.057 0.000 2.085 255 E HA -0.207 4.137 4.350 -0.010 0.000 0.194 255 E C 1.948 178.536 176.600 -0.020 0.000 0.994 255 E CA 1.252 57.628 56.400 -0.039 0.000 0.801 255 E CB -0.241 29.428 29.700 -0.051 0.000 0.743 255 E HN 0.482 nan 8.360 nan 0.000 0.453 256 A N 0.457 123.269 122.820 -0.014 0.000 2.014 256 A HA -0.037 4.277 4.320 -0.010 0.000 0.218 256 A C 1.898 179.487 177.584 0.008 0.000 1.163 256 A CA 0.905 52.945 52.037 0.005 0.000 0.652 256 A CB 0.026 19.040 19.000 0.023 0.000 0.808 256 A HN 0.150 nan 8.150 nan 0.000 0.449 257 L N -2.317 118.906 121.223 0.000 0.000 3.086 257 L HA 0.292 4.626 4.340 -0.010 0.000 0.274 257 L C 1.552 178.421 176.870 -0.001 0.000 1.184 257 L CA 0.342 55.183 54.840 0.001 0.000 1.002 257 L CB 0.358 42.418 42.059 0.001 0.000 1.383 257 L HN 0.478 nan 8.230 nan 0.000 0.582 258 G N 1.507 110.304 108.800 -0.005 0.000 2.205 258 G HA2 -0.323 3.631 3.960 -0.010 0.000 0.269 258 G HA3 -0.323 3.631 3.960 -0.010 0.000 0.269 258 G C 0.329 175.229 174.900 -0.000 0.000 0.977 258 G CA 0.729 45.827 45.100 -0.003 0.000 0.652 258 G HN 0.352 nan 8.290 nan 0.000 0.539 259 I N 1.156 121.727 120.570 0.002 0.000 2.460 259 I HA 0.361 4.525 4.170 -0.010 0.000 0.298 259 I C -1.950 174.172 176.117 0.009 0.000 0.989 259 I CA -2.743 58.562 61.300 0.009 0.000 1.173 259 I CB 1.801 39.810 38.000 0.014 0.000 1.338 259 I HN -0.200 nan 8.210 nan 0.000 0.456 260 P HA 0.054 nan 4.420 nan 0.000 0.267 260 P C -1.062 176.254 177.300 0.026 0.000 1.195 260 P CA 0.106 63.217 63.100 0.018 0.000 0.773 260 P CB 0.552 32.269 31.700 0.028 0.000 0.837 261 A N 1.090 123.924 122.820 0.023 0.000 2.539 261 A HA 0.834 5.148 4.320 -0.010 0.000 0.296 261 A C -1.304 176.319 177.584 0.066 0.000 1.073 261 A CA -0.303 51.755 52.037 0.036 0.000 0.700 261 A CB 1.744 20.744 19.000 0.001 0.000 1.296 261 A HN 0.525 nan 8.150 nan 0.000 0.405 262 A N -0.117 122.771 122.820 0.113 0.000 2.566 262 A HA 1.037 5.351 4.320 -0.010 0.000 0.292 262 A C -0.462 177.253 177.584 0.219 0.000 1.112 262 A CA -0.089 52.057 52.037 0.183 0.000 0.707 262 A CB 1.460 20.625 19.000 0.276 0.000 1.302 262 A HN 2.640 nan 8.150 nan 0.000 0.409 263 A N -0.288 122.708 122.820 0.293 0.000 2.572 263 A HA 0.799 5.114 4.320 -0.010 0.000 0.295 263 A C -0.622 177.240 177.584 0.463 0.000 1.072 263 A CA 0.010 52.259 52.037 0.353 0.000 0.691 263 A CB 1.502 20.725 19.000 0.371 0.000 1.291 263 A HN 1.735 nan 8.150 nan 0.000 0.404 264 S N 1.091 117.062 115.700 0.452 0.000 2.667 264 S HA 0.661 5.125 4.470 -0.010 0.000 0.304 264 S C -1.393 173.478 174.600 0.453 0.000 1.135 264 S CA -0.275 58.198 58.200 0.456 0.000 1.125 264 S CB -0.466 62.924 63.200 0.316 0.000 0.996 264 S HN 0.427 nan 8.310 nan 0.000 0.474 265 F N 3.627 123.728 119.950 0.251 0.000 2.379 265 F HA 0.630 5.151 4.527 -0.010 0.000 0.332 265 F C 0.645 176.566 175.800 0.202 0.000 1.096 265 F CA -0.543 57.585 58.000 0.213 0.000 1.105 265 F CB 1.240 40.356 39.000 0.194 0.000 1.189 265 F HN 0.255 nan 8.300 nan 0.000 0.515 266 K N 2.873 123.395 120.400 0.204 0.000 2.652 266 K HA 0.195 4.509 4.320 -0.010 0.000 0.249 266 K C -0.953 175.760 176.600 0.187 0.000 0.986 266 K CA -0.605 55.787 56.287 0.175 0.000 0.867 266 K CB 1.028 33.644 32.500 0.193 0.000 1.201 266 K HN 0.663 nan 8.250 nan 0.000 0.450 267 H N 1.422 120.609 119.070 0.196 0.000 2.765 267 H HA -0.126 4.424 4.556 -0.010 0.000 0.332 267 H C 0.142 175.568 175.328 0.164 0.000 1.180 267 H CA 0.825 56.973 56.048 0.166 0.000 1.142 267 H CB -1.369 28.468 29.762 0.124 0.000 1.576 267 H HN 0.562 nan 8.280 nan 0.000 0.420 268 V N -0.712 119.394 119.914 0.320 0.000 4.253 268 V HA -0.327 3.787 4.120 -0.010 0.000 0.233 268 V C 0.777 177.028 176.094 0.262 0.000 0.511 268 V CA 1.763 64.313 62.300 0.417 0.000 0.872 268 V CB -1.545 30.459 31.823 0.302 0.000 0.899 268 V HN 0.656 nan 8.190 nan 0.000 1.196 269 S N 0.169 115.782 115.700 -0.144 0.000 2.564 269 S HA 0.680 5.144 4.470 -0.010 0.000 0.274 269 S C -2.804 171.096 174.600 -1.167 0.000 1.124 269 S CA -0.887 57.022 58.200 -0.485 0.000 0.869 269 S CB 3.370 66.494 63.200 -0.126 0.000 1.105 269 S HN 0.303 nan 8.310 nan 0.000 0.472 270 P HA 0.345 nan 4.420 nan 0.000 0.293 270 P C -0.180 176.997 177.300 -0.205 0.000 1.300 270 P CA -0.336 62.322 63.100 -0.738 0.000 0.792 270 P CB 1.460 32.979 31.700 -0.302 0.000 0.925 271 A N 3.720 126.513 122.820 -0.045 0.000 1.970 271 A HA 0.359 4.673 4.320 -0.010 0.000 0.216 271 A C 1.122 178.741 177.584 0.060 0.000 1.170 271 A CA 1.371 53.435 52.037 0.044 0.000 0.645 271 A CB -0.640 18.425 19.000 0.109 0.000 0.816 271 A HN 0.646 nan 8.150 nan 0.000 0.447 272 G N -2.668 106.182 108.800 0.083 0.000 2.698 272 G HA2 0.676 4.630 3.960 -0.010 0.000 0.293 272 G HA3 0.676 4.630 3.960 -0.010 0.000 0.293 272 G C -1.248 173.729 174.900 0.129 0.000 1.437 272 G CA 0.129 45.278 45.100 0.081 0.000 0.852 272 G HN 1.179 nan 8.290 nan 0.000 0.499 273 A N -0.679 122.203 122.820 0.104 0.000 2.555 273 A HA 1.060 5.374 4.320 -0.010 0.000 0.297 273 A C -0.447 177.191 177.584 0.089 0.000 1.060 273 A CA 0.254 52.373 52.037 0.136 0.000 0.710 273 A CB 1.334 20.430 19.000 0.159 0.000 1.282 273 A HN 2.563 nan 8.150 nan 0.000 0.399 274 A N 0.479 123.356 122.820 0.096 0.000 2.601 274 A HA 0.840 5.154 4.320 -0.010 0.000 0.291 274 A C -0.624 177.003 177.584 0.070 0.000 1.075 274 A CA 0.035 52.114 52.037 0.071 0.000 0.671 274 A CB 0.684 19.728 19.000 0.072 0.000 1.277 274 A HN 2.310 nan 8.150 nan 0.000 0.417 275 V N -0.806 119.140 119.914 0.055 0.000 2.612 275 V HA 0.788 4.902 4.120 -0.010 0.000 0.301 275 V C 0.819 176.948 176.094 0.059 0.000 1.046 275 V CA 0.077 62.405 62.300 0.047 0.000 0.946 275 V CB 1.301 33.142 31.823 0.030 0.000 1.003 275 V HN 1.794 nan 8.190 nan 0.000 0.459 276 G N 4.427 113.262 108.800 0.059 0.000 3.084 276 G HA2 0.175 4.129 3.960 -0.010 0.000 0.254 276 G HA3 0.175 4.129 3.960 -0.010 0.000 0.254 276 G C 0.181 175.117 174.900 0.060 0.000 0.834 276 G CA -0.057 45.082 45.100 0.065 0.000 1.999 276 G HN 0.986 nan 8.290 nan 0.000 0.611 277 I N 0.496 121.106 120.570 0.067 0.000 2.416 277 I HA 0.287 4.451 4.170 -0.010 0.000 0.288 277 I C -2.001 174.168 176.117 0.086 0.000 1.051 277 I CA -2.463 58.877 61.300 0.067 0.000 1.375 277 I CB 1.398 39.438 38.000 0.067 0.000 1.407 277 I HN -0.003 nan 8.210 nan 0.000 0.516 278 P HA -0.061 nan 4.420 nan 0.000 0.257 278 P C -1.019 176.366 177.300 0.140 0.000 1.162 278 P CA 0.132 63.283 63.100 0.085 0.000 0.762 278 P CB 0.167 31.907 31.700 0.066 0.000 0.753 279 L N 3.251 124.580 121.223 0.176 0.000 2.367 279 L HA 0.162 4.496 4.340 -0.010 0.000 0.275 279 L C 1.322 178.399 176.870 0.346 0.000 1.129 279 L CA 0.540 55.536 54.840 0.260 0.000 0.839 279 L CB 0.212 42.445 42.059 0.290 0.000 1.133 279 L HN 0.403 nan 8.230 nan 0.000 0.453 280 S N 2.119 117.989 115.700 0.283 0.000 2.632 280 S HA 0.147 4.611 4.470 -0.010 0.000 0.254 280 S C 1.002 175.720 174.600 0.197 0.000 1.291 280 S CA -0.403 57.948 58.200 0.251 0.000 0.974 280 S CB 0.448 63.758 63.200 0.183 0.000 1.016 280 S HN 0.624 nan 8.310 nan 0.000 0.579 281 E N 0.936 121.148 120.200 0.020 0.000 2.047 281 E HA -0.134 4.211 4.350 -0.010 0.000 0.191 281 E C 1.705 178.178 176.600 -0.211 0.000 0.987 281 E CA 1.405 57.659 56.400 -0.243 0.000 0.799 281 E CB -0.481 29.100 29.700 -0.198 0.000 0.752 281 E HN 0.649 nan 8.360 nan 0.000 0.449 282 D N 0.939 121.270 120.400 -0.116 0.000 2.117 282 D HA -0.129 4.505 4.640 -0.010 0.000 0.198 282 D C 1.805 178.039 176.300 -0.110 0.000 0.982 282 D CA 0.805 54.724 54.000 -0.136 0.000 0.828 282 D CB -0.222 40.553 40.800 -0.042 0.000 0.967 282 D HN 0.282 nan 8.370 nan 0.000 0.464 283 E N 0.591 120.818 120.200 0.046 0.000 2.160 283 E HA -0.127 4.218 4.350 -0.010 0.000 0.195 283 E C 1.979 178.640 176.600 0.102 0.000 0.991 283 E CA 0.838 57.309 56.400 0.117 0.000 0.810 283 E CB 0.014 29.882 29.700 0.281 0.000 0.742 283 E HN 0.188 nan 8.360 nan 0.000 0.466 284 A N 1.290 124.188 122.820 0.130 0.000 2.016 284 A HA -0.114 4.200 4.320 -0.010 0.000 0.217 284 A C 2.267 179.923 177.584 0.121 0.000 1.162 284 A CA 1.746 53.908 52.037 0.208 0.000 0.662 284 A CB -0.490 18.743 19.000 0.389 0.000 0.812 284 A HN 0.229 nan 8.150 nan 0.000 0.450 285 K N -0.563 119.815 120.400 -0.037 0.000 2.007 285 K HA 0.084 4.398 4.320 -0.010 0.000 0.206 285 K C 1.997 178.535 176.600 -0.103 0.000 1.047 285 K CA 1.469 57.686 56.287 -0.116 0.000 0.937 285 K CB -1.505 30.817 32.500 -0.297 0.000 0.718 285 K HN 0.256 nan 8.250 nan 0.000 0.438 286 V N 0.678 120.478 119.914 -0.191 0.000 2.380 286 V HA -0.294 3.820 4.120 -0.010 0.000 0.251 286 V C 2.431 178.491 176.094 -0.057 0.000 1.063 286 V CA 1.936 64.096 62.300 -0.234 0.000 1.055 286 V CB -0.654 30.850 31.823 -0.532 0.000 0.657 286 V HN 0.734 nan 8.190 nan 0.000 0.455 287 C N -0.279 119.033 119.300 0.021 0.000 2.576 287 C HA 0.218 4.672 4.460 -0.010 0.000 0.267 287 C C 1.391 176.414 174.990 0.055 0.000 1.364 287 C CA -0.424 58.638 59.018 0.072 0.000 1.723 287 C CB -1.046 26.760 27.740 0.110 0.000 1.778 287 C HN 0.667 nan 8.230 nan 0.000 0.572 288 M N -0.442 119.185 119.600 0.044 0.000 2.427 288 M HA -0.135 4.339 4.480 -0.010 0.000 0.204 288 M C 0.462 176.807 176.300 0.075 0.000 0.413 288 M CA 0.807 56.134 55.300 0.045 0.000 0.507 288 M CB -2.251 30.360 32.600 0.017 0.000 1.823 288 M HN 0.472 nan 8.290 nan 0.000 0.859 289 V N -3.950 116.035 119.914 0.118 0.000 3.329 289 V HA 0.131 4.245 4.120 -0.010 0.000 0.317 289 V C 1.294 177.498 176.094 0.184 0.000 1.495 289 V CA 0.019 62.397 62.300 0.130 0.000 1.105 289 V CB -0.339 31.560 31.823 0.126 0.000 0.985 289 V HN 0.370 nan 8.190 nan 0.000 0.475 290 Y N 3.969 124.307 120.300 0.064 0.000 2.165 290 Y HA -0.175 4.371 4.550 -0.008 0.000 0.286 290 Y C 2.150 178.101 175.900 0.085 0.000 1.155 290 Y CA 2.345 60.478 58.100 0.056 0.000 1.164 290 Y CB -0.090 38.350 38.460 -0.034 0.000 0.978 290 Y HN 0.612 nan 8.280 nan 0.000 0.513 291 D N -0.351 120.043 120.400 -0.011 0.000 2.403 291 D HA -0.158 4.476 4.640 -0.010 0.000 0.227 291 D C 0.925 177.184 176.300 -0.068 0.000 0.995 291 D CA 1.067 55.018 54.000 -0.082 0.000 0.928 291 D CB -0.555 40.248 40.800 0.005 0.000 0.887 291 D HN 0.550 nan 8.370 nan 0.000 0.529 292 L N -1.840 119.366 121.223 -0.028 0.000 3.217 292 L HA 0.155 4.489 4.340 -0.010 0.000 0.288 292 L C 1.295 178.179 176.870 0.023 0.000 1.202 292 L CA -0.612 54.228 54.840 0.000 0.000 1.027 292 L CB -0.260 41.816 42.059 0.028 0.000 1.427 292 L HN -0.200 nan 8.230 nan 0.000 0.600 293 Y N 3.291 123.507 120.300 -0.140 0.000 2.265 293 Y HA -0.384 4.160 4.550 -0.011 0.000 0.280 293 Y C 2.166 178.033 175.900 -0.056 0.000 1.222 293 Y CA 2.412 60.455 58.100 -0.095 0.000 1.226 293 Y CB -0.003 38.333 38.460 -0.207 0.000 0.968 293 Y HN 0.260 nan 8.280 nan 0.000 0.540 294 K N -1.481 118.884 120.400 -0.057 0.000 2.137 294 K HA -0.009 4.305 4.320 -0.010 0.000 0.202 294 K C 1.976 178.522 176.600 -0.090 0.000 1.052 294 K CA 1.613 57.842 56.287 -0.096 0.000 0.961 294 K CB -1.557 30.920 32.500 -0.039 0.000 0.741 294 K HN 0.366 nan 8.250 nan 0.000 0.452 295 T N -0.097 114.424 114.554 -0.054 0.000 2.951 295 T HA 0.053 4.397 4.350 -0.010 0.000 0.268 295 T C 0.870 175.546 174.700 -0.039 0.000 1.073 295 T CA -0.075 62.004 62.100 -0.036 0.000 1.134 295 T CB -0.616 68.244 68.868 -0.013 0.000 0.884 295 T HN 0.058 nan 8.240 nan 0.000 0.479 296 L N 3.084 124.274 121.223 -0.055 0.000 2.667 296 L HA 0.089 4.423 4.340 -0.010 0.000 0.296 296 L C 0.945 177.789 176.870 -0.043 0.000 1.252 296 L CA 0.563 55.377 54.840 -0.044 0.000 0.891 296 L CB -0.190 41.820 42.059 -0.082 0.000 1.141 296 L HN 0.558 nan 8.230 nan 0.000 0.501 297 T N -0.457 114.094 114.554 -0.005 0.000 2.883 297 T HA 0.410 4.754 4.350 -0.010 0.000 0.296 297 T C -2.114 172.599 174.700 0.021 0.000 1.117 297 T CA -1.806 60.294 62.100 0.001 0.000 1.006 297 T CB 2.093 70.966 68.868 0.009 0.000 1.191 297 T HN 0.197 nan 8.240 nan 0.000 0.508 298 P HA -0.138 nan 4.420 nan 0.000 0.217 298 P C 1.467 178.798 177.300 0.052 0.000 1.158 298 P CA 0.806 63.925 63.100 0.033 0.000 0.887 298 P CB -0.016 31.698 31.700 0.024 0.000 0.792 299 I N -0.616 119.986 120.570 0.053 0.000 2.286 299 I HA -0.183 3.981 4.170 -0.010 0.000 0.245 299 I C 2.003 178.188 176.117 0.114 0.000 1.104 299 I CA 1.635 62.979 61.300 0.073 0.000 1.397 299 I CB -0.840 37.191 38.000 0.052 0.000 1.072 299 I HN -0.086 nan 8.210 nan 0.000 0.417 300 S N 0.888 116.650 115.700 0.104 0.000 2.399 300 S HA -0.084 4.380 4.470 -0.010 0.000 0.231 300 S C 2.187 176.875 174.600 0.147 0.000 1.022 300 S CA 0.809 59.094 58.200 0.142 0.000 0.983 300 S CB -1.052 62.209 63.200 0.102 0.000 0.803 300 S HN 0.475 nan 8.310 nan 0.000 0.480 301 A N 1.719 124.603 122.820 0.108 0.000 2.015 301 A HA 0.426 4.741 4.320 -0.010 0.000 0.219 301 A C 2.419 180.074 177.584 0.118 0.000 1.163 301 A CA 1.343 53.444 52.037 0.106 0.000 0.646 301 A CB -1.151 17.898 19.000 0.083 0.000 0.806 301 A HN 0.740 nan 8.150 nan 0.000 0.448 302 A N -1.357 121.539 122.820 0.127 0.000 1.872 302 A HA -0.032 4.282 4.320 -0.010 0.000 0.214 302 A C 2.135 179.820 177.584 0.169 0.000 1.187 302 A CA 1.520 53.637 52.037 0.134 0.000 0.614 302 A CB -0.793 18.282 19.000 0.126 0.000 0.826 302 A HN 0.641 nan 8.150 nan 0.000 0.442 303 Y N 0.815 121.171 120.300 0.094 0.000 2.242 303 Y HA -0.021 4.524 4.550 -0.008 0.000 0.291 303 Y C 2.585 178.557 175.900 0.119 0.000 1.137 303 Y CA 0.862 59.026 58.100 0.106 0.000 1.181 303 Y CB -0.601 37.917 38.460 0.096 0.000 0.989 303 Y HN 0.294 nan 8.280 nan 0.000 0.527 304 A N 0.432 123.213 122.820 -0.065 0.000 1.930 304 A HA -0.148 4.166 4.320 -0.010 0.000 0.217 304 A C 2.369 179.930 177.584 -0.039 0.000 1.175 304 A CA 1.586 53.563 52.037 -0.099 0.000 0.627 304 A CB -0.524 18.509 19.000 0.055 0.000 0.815 304 A HN 0.491 nan 8.150 nan 0.000 0.443 305 R N -0.682 119.844 120.500 0.044 0.000 2.075 305 R HA -0.025 4.309 4.340 -0.010 0.000 0.232 305 R C 2.542 178.882 176.300 0.067 0.000 1.126 305 R CA 1.126 57.292 56.100 0.111 0.000 0.963 305 R CB -0.417 29.960 30.300 0.128 0.000 0.858 305 R HN 0.507 nan 8.270 nan 0.000 0.435 306 A N 1.143 123.974 122.820 0.019 0.000 1.858 306 A HA -0.179 4.135 4.320 -0.010 0.000 0.216 306 A C 2.116 179.684 177.584 -0.027 0.000 1.190 306 A CA 1.284 53.341 52.037 0.033 0.000 0.617 306 A CB -0.461 18.610 19.000 0.119 0.000 0.827 306 A HN 0.194 nan 8.150 nan 0.000 0.443 307 R N -0.545 119.801 120.500 -0.257 0.000 2.189 307 R HA -0.065 4.269 4.340 -0.010 0.000 0.218 307 R C 2.026 178.304 176.300 -0.036 0.000 1.074 307 R CA 1.033 56.992 56.100 -0.235 0.000 0.991 307 R CB -0.446 29.481 30.300 -0.622 0.000 0.883 307 R HN 0.492 nan 8.270 nan 0.000 0.457 308 G N -0.206 108.604 108.800 0.016 0.000 2.484 308 G HA2 -0.177 3.777 3.960 -0.010 0.000 0.218 308 G HA3 -0.177 3.777 3.960 -0.010 0.000 0.218 308 G C 1.417 176.499 174.900 0.304 0.000 1.130 308 G CA 0.554 45.755 45.100 0.167 0.000 0.784 308 G HN 0.404 nan 8.290 nan 0.000 0.543 309 A N 0.297 123.241 122.820 0.206 0.000 1.859 309 A HA -0.043 4.271 4.320 -0.010 0.000 0.217 309 A C 1.338 179.085 177.584 0.271 0.000 1.198 309 A CA 1.846 53.987 52.037 0.172 0.000 0.629 309 A CB -0.145 18.875 19.000 0.033 0.000 0.830 309 A HN 0.288 nan 8.150 nan 0.000 0.446 310 D N -2.176 118.344 120.400 0.200 0.000 2.517 310 D HA 0.316 4.950 4.640 -0.010 0.000 0.263 310 D C 0.836 177.239 176.300 0.172 0.000 1.233 310 D CA -0.392 53.728 54.000 0.201 0.000 0.849 310 D CB 0.142 41.044 40.800 0.171 0.000 1.261 310 D HN 0.239 nan 8.370 nan 0.000 0.516 311 R N 1.260 121.861 120.500 0.168 0.000 2.152 311 R HA -0.089 4.245 4.340 -0.010 0.000 0.232 311 R C 2.014 178.405 176.300 0.151 0.000 1.117 311 R CA 0.990 57.174 56.100 0.140 0.000 0.981 311 R CB 0.060 30.428 30.300 0.113 0.000 0.870 311 R HN 0.417 nan 8.270 nan 0.000 0.451 312 M N 0.100 119.783 119.600 0.137 0.000 2.132 312 M HA -0.107 4.367 4.480 -0.010 0.000 0.263 312 M C 1.585 177.972 176.300 0.144 0.000 1.065 312 M CA 1.722 57.088 55.300 0.111 0.000 1.122 312 M CB 0.220 32.864 32.600 0.073 0.000 1.365 312 M HN -0.022 nan 8.290 nan 0.000 0.411 313 S N 0.057 115.852 115.700 0.159 0.000 2.446 313 S HA -0.000 4.464 4.470 -0.010 0.000 0.225 313 S C 1.625 176.366 174.600 0.234 0.000 1.016 313 S CA 1.040 59.350 58.200 0.183 0.000 0.943 313 S CB -0.048 63.246 63.200 0.157 0.000 0.786 313 S HN 0.512 nan 8.310 nan 0.000 0.508 314 S N 1.394 117.227 115.700 0.221 0.000 2.595 314 S HA 0.091 4.555 4.470 -0.010 0.000 0.235 314 S C 0.328 175.086 174.600 0.262 0.000 0.974 314 S CA -0.024 58.314 58.200 0.230 0.000 0.942 314 S CB -0.486 62.828 63.200 0.190 0.000 0.766 314 S HN 0.538 nan 8.310 nan 0.000 0.536 315 F N 2.559 122.579 119.950 0.118 0.000 2.571 315 F HA 0.386 4.907 4.527 -0.010 0.000 0.384 315 F C 1.251 177.122 175.800 0.118 0.000 1.058 315 F CA 0.480 58.542 58.000 0.104 0.000 1.200 315 F CB -0.151 38.899 39.000 0.084 0.000 1.077 315 F HN 0.219 nan 8.300 nan 0.000 0.558 316 G N 4.044 112.713 108.800 -0.218 0.000 2.176 316 G HA2 -0.299 3.655 3.960 -0.010 0.000 0.252 316 G HA3 -0.299 3.655 3.960 -0.010 0.000 0.252 316 G C -0.148 174.801 174.900 0.081 0.000 1.024 316 G CA 0.197 45.236 45.100 -0.101 0.000 0.755 316 G HN 1.063 nan 8.290 nan 0.000 0.507 317 D N -0.827 119.652 120.400 0.132 0.000 2.384 317 D HA 0.525 5.159 4.640 -0.010 0.000 0.244 317 D C -0.169 176.246 176.300 0.193 0.000 1.251 317 D CA -0.813 53.317 54.000 0.216 0.000 0.961 317 D CB 0.687 41.653 40.800 0.276 0.000 1.116 317 D HN 0.131 nan 8.370 nan 0.000 0.484 318 F N 0.242 120.302 119.950 0.183 0.000 2.477 318 F HA 0.343 4.864 4.527 -0.010 0.000 0.335 318 F C -0.705 175.188 175.800 0.155 0.000 1.130 318 F CA -1.059 57.012 58.000 0.119 0.000 0.948 318 F CB 1.567 40.614 39.000 0.077 0.000 1.154 318 F HN 0.233 nan 8.300 nan 0.000 0.439 319 V N 5.639 125.593 119.914 0.066 0.000 2.612 319 V HA 0.919 5.033 4.120 -0.010 0.000 0.301 319 V C -0.991 175.221 176.094 0.197 0.000 1.046 319 V CA -0.199 62.186 62.300 0.142 0.000 0.946 319 V CB 1.309 33.008 31.823 -0.207 0.000 1.003 319 V HN 1.013 nan 8.190 nan 0.000 0.459 320 A N 7.004 129.944 122.820 0.200 0.000 2.356 320 A HA 0.857 5.171 4.320 -0.010 0.000 0.310 320 A C -1.215 176.460 177.584 0.152 0.000 1.075 320 A CA -0.676 51.471 52.037 0.184 0.000 0.746 320 A CB 1.175 20.247 19.000 0.119 0.000 1.221 320 A HN 0.941 nan 8.150 nan 0.000 0.443 321 L N 2.340 123.653 121.223 0.150 0.000 2.362 321 L HA 0.394 4.728 4.340 -0.010 0.000 0.275 321 L C 1.422 178.386 176.870 0.157 0.000 0.998 321 L CA -0.549 54.354 54.840 0.106 0.000 0.820 321 L CB 2.256 44.333 42.059 0.031 0.000 1.270 321 L HN 0.894 nan 8.230 nan 0.000 0.415 322 S N -0.326 115.415 115.700 0.067 0.000 2.428 322 S HA 0.029 4.493 4.470 -0.010 0.000 0.230 322 S C 0.388 175.048 174.600 0.101 0.000 1.014 322 S CA 0.392 58.605 58.200 0.021 0.000 0.957 322 S CB -0.080 63.078 63.200 -0.071 0.000 0.784 322 S HN 0.652 nan 8.310 nan 0.000 0.499 323 D N 0.516 120.951 120.400 0.058 0.000 2.553 323 D HA 0.424 5.058 4.640 -0.010 0.000 0.249 323 D C -0.649 175.631 176.300 -0.033 0.000 1.062 323 D CA -0.737 53.279 54.000 0.027 0.000 1.085 323 D CB 1.686 42.495 40.800 0.016 0.000 1.350 323 D HN -0.038 nan 8.370 nan 0.000 0.575 324 V N 1.115 120.995 119.914 -0.055 0.000 2.509 324 V HA -0.102 4.012 4.120 -0.010 0.000 0.297 324 V C 0.914 176.943 176.094 -0.108 0.000 1.014 324 V CA -0.303 61.927 62.300 -0.117 0.000 1.127 324 V CB 0.278 32.063 31.823 -0.063 0.000 0.925 324 V HN 0.646 nan 8.190 nan 0.000 0.480 325 C N 7.853 127.033 119.300 -0.200 0.000 2.677 325 C HA 0.202 4.656 4.460 -0.010 0.000 0.398 325 C C 0.910 175.909 174.990 0.015 0.000 1.378 325 C CA -0.804 58.167 59.018 -0.078 0.000 1.543 325 C CB -1.778 25.934 27.740 -0.046 0.000 2.356 325 C HN 1.045 nan 8.230 nan 0.000 0.609 326 D N 4.225 124.636 120.400 0.019 0.000 2.376 326 D HA 0.094 4.728 4.640 -0.010 0.000 0.268 326 D C 1.097 177.420 176.300 0.039 0.000 1.252 326 D CA -0.452 53.565 54.000 0.029 0.000 1.041 326 D CB 0.238 41.051 40.800 0.021 0.000 1.109 326 D HN 0.265 nan 8.370 nan 0.000 0.552 327 V N -0.438 119.494 119.914 0.030 0.000 2.379 327 V HA -0.054 4.060 4.120 -0.010 0.000 0.245 327 V C -0.912 175.197 176.094 0.025 0.000 1.044 327 V CA 1.516 63.831 62.300 0.025 0.000 1.036 327 V CB -1.622 30.210 31.823 0.015 0.000 0.664 327 V HN 0.470 nan 8.190 nan 0.000 0.453 328 P HA -0.145 nan 4.420 nan 0.000 0.212 328 P C 1.900 179.232 177.300 0.053 0.000 1.178 328 P CA 2.091 65.211 63.100 0.034 0.000 0.915 328 P CB -0.321 31.398 31.700 0.033 0.000 0.788 329 T N -0.213 114.381 114.554 0.066 0.000 2.653 329 T HA -0.310 4.034 4.350 -0.010 0.000 0.267 329 T C 1.828 176.559 174.700 0.051 0.000 1.037 329 T CA 2.204 64.355 62.100 0.086 0.000 1.159 329 T CB -1.222 67.685 68.868 0.065 0.000 0.859 329 T HN 0.109 nan 8.240 nan 0.000 0.449 330 A N 1.342 124.181 122.820 0.032 0.000 1.883 330 A HA -0.169 4.145 4.320 -0.010 0.000 0.217 330 A C 2.278 179.854 177.584 -0.013 0.000 1.186 330 A CA 1.969 54.009 52.037 0.004 0.000 0.624 330 A CB -0.530 18.479 19.000 0.015 0.000 0.822 330 A HN 0.511 nan 8.150 nan 0.000 0.444 331 K N -0.503 119.900 120.400 0.005 0.000 2.032 331 K HA -0.098 4.216 4.320 -0.010 0.000 0.209 331 K C 1.822 178.432 176.600 0.016 0.000 1.048 331 K CA 1.630 57.917 56.287 0.000 0.000 0.927 331 K CB -0.408 32.096 32.500 0.008 0.000 0.712 331 K HN 0.553 nan 8.250 nan 0.000 0.441 332 I N 0.992 121.598 120.570 0.059 0.000 2.208 332 I HA -0.310 3.854 4.170 -0.010 0.000 0.245 332 I C 2.143 178.327 176.117 0.111 0.000 1.097 332 I CA 1.425 62.789 61.300 0.106 0.000 1.363 332 I CB -0.291 37.824 38.000 0.192 0.000 1.051 332 I HN 0.166 nan 8.210 nan 0.000 0.413 333 I N -0.561 120.052 120.570 0.072 0.000 2.617 333 I HA -0.206 3.958 4.170 -0.010 0.000 0.256 333 I C 2.672 178.717 176.117 -0.120 0.000 1.167 333 I CA 0.684 61.981 61.300 -0.005 0.000 1.469 333 I CB -0.318 37.603 38.000 -0.132 0.000 1.098 333 I HN 0.159 nan 8.210 nan 0.000 0.436 334 S N 1.605 117.236 115.700 -0.116 0.000 2.383 334 S HA -0.195 4.269 4.470 -0.010 0.000 0.229 334 S C 2.091 176.620 174.600 -0.118 0.000 1.030 334 S CA 1.547 59.656 58.200 -0.151 0.000 1.002 334 S CB -0.146 62.993 63.200 -0.102 0.000 0.829 334 S HN 0.526 nan 8.310 nan 0.000 0.467 335 R N 0.006 120.467 120.500 -0.063 0.000 2.317 335 R HA 0.251 4.585 4.340 -0.010 0.000 0.208 335 R C -0.008 176.270 176.300 -0.037 0.000 0.914 335 R CA 0.017 56.089 56.100 -0.046 0.000 1.060 335 R CB 0.013 30.299 30.300 -0.024 0.000 1.015 335 R HN 0.279 nan 8.270 nan 0.000 0.498 336 E N 1.402 121.582 120.200 -0.032 0.000 2.254 336 E HA 0.237 4.581 4.350 -0.010 0.000 0.261 336 E C -0.576 175.978 176.600 -0.076 0.000 1.051 336 E CA -0.950 55.444 56.400 -0.010 0.000 0.902 336 E CB 2.139 31.880 29.700 0.068 0.000 1.168 336 E HN -0.134 nan 8.360 nan 0.000 0.423 337 V N 1.551 121.403 119.914 -0.103 0.000 2.353 337 V HA 0.233 4.347 4.120 -0.010 0.000 0.264 337 V C 0.289 176.268 176.094 -0.192 0.000 1.049 337 V CA -0.103 62.040 62.300 -0.262 0.000 0.896 337 V CB 0.707 32.144 31.823 -0.643 0.000 1.025 337 V HN 0.482 nan 8.190 nan 0.000 0.475 338 S N 2.444 118.081 115.700 -0.104 0.000 2.599 338 S HA 0.539 5.003 4.470 -0.010 0.000 0.287 338 S C 0.053 174.745 174.600 0.154 0.000 1.105 338 S CA -0.585 57.641 58.200 0.043 0.000 0.899 338 S CB 2.127 65.388 63.200 0.102 0.000 1.100 338 S HN 0.719 nan 8.310 nan 0.000 0.482 339 D N 0.993 121.453 120.400 0.099 0.000 2.423 339 D HA 0.377 5.011 4.640 -0.010 0.000 0.208 339 D C 0.555 176.597 176.300 -0.429 0.000 1.068 339 D CA 0.814 54.814 54.000 0.000 0.000 0.860 339 D CB 1.027 41.833 40.800 0.009 0.000 0.992 339 D HN 0.713 nan 8.370 nan 0.000 0.504 340 G N 0.028 108.310 108.800 -0.864 0.000 2.356 340 G HA2 0.475 4.429 3.960 -0.010 0.000 0.294 340 G HA3 0.475 4.429 3.960 -0.010 0.000 0.294 340 G C -1.915 172.004 174.900 -1.635 0.000 1.423 340 G CA -0.648 43.451 45.100 -1.669 0.000 0.806 340 G HN 0.052 nan 8.290 nan 0.000 0.527 341 I N -0.613 119.270 120.570 -1.144 0.000 3.006 341 I HA 0.850 5.014 4.170 -0.010 0.000 0.306 341 I C -1.735 174.408 176.117 0.043 0.000 1.250 341 I CA -1.461 59.582 61.300 -0.428 0.000 0.996 341 I CB 2.308 40.269 38.000 -0.066 0.000 1.261 341 I HN 0.692 nan 8.210 nan 0.000 0.442 342 I N 5.342 126.046 120.570 0.222 0.000 2.692 342 I HA 0.821 4.985 4.170 -0.010 0.000 0.293 342 I C -1.307 174.866 176.117 0.093 0.000 1.200 342 I CA -0.150 61.269 61.300 0.200 0.000 1.036 342 I CB 1.770 39.889 38.000 0.198 0.000 1.258 342 I HN 0.824 nan 8.210 nan 0.000 0.421 343 A N 7.522 130.287 122.820 -0.090 0.000 2.564 343 A HA 0.692 5.006 4.320 -0.010 0.000 0.291 343 A C -2.730 174.656 177.584 -0.331 0.000 1.102 343 A CA -0.773 51.147 52.037 -0.195 0.000 0.660 343 A CB 1.215 19.951 19.000 -0.441 0.000 1.283 343 A HN 0.440 nan 8.150 nan 0.000 0.430 344 P HA 0.152 nan 4.420 nan 0.000 0.220 344 P C 0.795 177.986 177.300 -0.182 0.000 1.152 344 P CA 1.796 64.781 63.100 -0.192 0.000 0.812 344 P CB 0.398 32.092 31.700 -0.010 0.000 0.792 345 G N -1.696 106.938 108.800 -0.277 0.000 2.608 345 G HA2 0.551 4.505 3.960 -0.010 0.000 0.291 345 G HA3 0.551 4.505 3.960 -0.010 0.000 0.291 345 G C -2.266 172.379 174.900 -0.426 0.000 1.425 345 G CA -0.516 44.461 45.100 -0.204 0.000 0.787 345 G HN -0.106 nan 8.290 nan 0.000 0.484 346 Y N -0.110 120.180 120.300 -0.018 0.000 2.457 346 Y HA 0.477 5.021 4.550 -0.010 0.000 0.343 346 Y C 0.294 176.188 175.900 -0.011 0.000 0.994 346 Y CA -0.872 57.220 58.100 -0.013 0.000 1.031 346 Y CB 2.205 40.653 38.460 -0.019 0.000 1.246 346 Y HN 0.535 nan 8.280 nan 0.000 0.449 347 E N 1.721 121.998 120.200 0.129 0.000 2.383 347 E HA 0.004 4.348 4.350 -0.010 0.000 0.264 347 E C 0.797 177.444 176.600 0.078 0.000 1.050 347 E CA -0.082 56.363 56.400 0.076 0.000 0.896 347 E CB 0.938 30.667 29.700 0.047 0.000 0.982 347 E HN 0.812 nan 8.360 nan 0.000 0.424 348 E N 2.536 122.764 120.200 0.047 0.000 2.086 348 E HA -0.365 3.979 4.350 -0.010 0.000 0.205 348 E C 1.726 178.337 176.600 0.018 0.000 1.027 348 E CA 2.014 58.430 56.400 0.027 0.000 0.830 348 E CB 0.112 29.820 29.700 0.014 0.000 0.751 348 E HN 0.629 nan 8.360 nan 0.000 0.456 349 E N -0.200 120.011 120.200 0.017 0.000 2.058 349 E HA -0.260 4.084 4.350 -0.010 0.000 0.194 349 E C 1.949 178.556 176.600 0.012 0.000 0.997 349 E CA 1.330 57.735 56.400 0.008 0.000 0.801 349 E CB -0.254 29.450 29.700 0.008 0.000 0.746 349 E HN 0.347 nan 8.360 nan 0.000 0.450 350 A N 1.082 123.924 122.820 0.037 0.000 1.873 350 A HA -0.234 4.081 4.320 -0.010 0.000 0.218 350 A C 2.223 179.825 177.584 0.030 0.000 1.193 350 A CA 1.801 53.873 52.037 0.058 0.000 0.629 350 A CB -1.000 18.076 19.000 0.125 0.000 0.826 350 A HN 0.434 nan 8.150 nan 0.000 0.447 351 L N -0.053 121.182 121.223 0.019 0.000 2.042 351 L HA -0.133 4.201 4.340 -0.010 0.000 0.210 351 L C 2.452 179.271 176.870 -0.085 0.000 1.076 351 L CA 2.930 57.710 54.840 -0.100 0.000 0.749 351 L CB -1.103 40.894 42.059 -0.104 0.000 0.893 351 L HN 0.433 nan 8.230 nan 0.000 0.432 352 T N -0.162 114.364 114.554 -0.047 0.000 2.746 352 T HA -0.162 4.183 4.350 -0.010 0.000 0.267 352 T C 2.010 176.680 174.700 -0.051 0.000 1.039 352 T CA 1.990 64.063 62.100 -0.045 0.000 1.142 352 T CB -0.388 68.463 68.868 -0.029 0.000 0.866 352 T HN 0.337 nan 8.240 nan 0.000 0.444 353 I N 0.720 121.261 120.570 -0.047 0.000 2.179 353 I HA -0.140 4.024 4.170 -0.010 0.000 0.242 353 I C 2.314 178.372 176.117 -0.098 0.000 1.088 353 I CA 1.312 62.576 61.300 -0.061 0.000 1.357 353 I CB -0.388 37.584 38.000 -0.047 0.000 1.051 353 I HN 0.194 nan 8.210 nan 0.000 0.409 354 L N -0.284 120.880 121.223 -0.097 0.000 2.056 354 L HA -0.165 4.170 4.340 -0.010 0.000 0.207 354 L C 2.630 179.458 176.870 -0.070 0.000 1.078 354 L CA 1.107 55.867 54.840 -0.134 0.000 0.749 354 L CB -0.677 41.365 42.059 -0.028 0.000 0.901 354 L HN 0.139 nan 8.230 nan 0.000 0.433 355 S N -0.166 115.506 115.700 -0.047 0.000 2.440 355 S HA -0.188 4.276 4.470 -0.010 0.000 0.240 355 S C 1.892 176.475 174.600 -0.028 0.000 1.014 355 S CA 1.265 59.450 58.200 -0.025 0.000 0.980 355 S CB -0.186 62.979 63.200 -0.059 0.000 0.775 355 S HN 0.376 nan 8.310 nan 0.000 0.499 356 K N 1.071 121.435 120.400 -0.060 0.000 2.155 356 K HA 0.037 4.352 4.320 -0.010 0.000 0.203 356 K C 0.455 177.012 176.600 -0.073 0.000 1.052 356 K CA 0.516 56.767 56.287 -0.060 0.000 0.948 356 K CB 0.022 32.482 32.500 -0.066 0.000 0.728 356 K HN 0.331 nan 8.250 nan 0.000 0.448 357 K N 1.673 121.991 120.400 -0.136 0.000 2.559 357 K HA -0.079 4.235 4.320 -0.010 0.000 0.279 357 K C -0.268 176.300 176.600 -0.052 0.000 0.967 357 K CA 0.585 56.759 56.287 -0.187 0.000 1.000 357 K CB 0.173 32.349 32.500 -0.540 0.000 0.890 357 K HN 0.032 nan 8.250 nan 0.000 0.501 358 K N 2.662 123.032 120.400 -0.050 0.000 3.419 358 K HA -0.314 4.000 4.320 -0.010 0.000 0.272 358 K C -0.491 176.112 176.600 0.006 0.000 0.973 358 K CA 0.452 56.740 56.287 0.000 0.000 0.749 358 K CB -1.322 31.212 32.500 0.057 0.000 1.403 358 K HN 0.804 nan 8.250 nan 0.000 0.456 359 N N -1.684 117.011 118.700 -0.009 0.000 2.815 359 N HA -0.245 4.489 4.740 -0.010 0.000 0.247 359 N C 0.778 176.285 175.510 -0.005 0.000 1.030 359 N CA 2.117 55.164 53.050 -0.006 0.000 0.881 359 N CB -0.995 37.493 38.487 0.003 0.000 1.134 359 N HN 0.999 nan 8.380 nan 0.000 0.582 360 G N -0.940 107.858 108.800 -0.004 0.000 2.179 360 G HA2 -0.256 3.698 3.960 -0.010 0.000 0.220 360 G HA3 -0.256 3.698 3.960 -0.010 0.000 0.220 360 G C 0.461 175.365 174.900 0.007 0.000 0.990 360 G CA 0.336 45.433 45.100 -0.004 0.000 0.646 360 G HN 0.419 nan 8.290 nan 0.000 0.517 361 N N -0.317 118.395 118.700 0.021 0.000 2.230 361 N HA 0.130 4.864 4.740 -0.010 0.000 0.202 361 N C 0.374 175.903 175.510 0.031 0.000 1.119 361 N CA -0.306 52.752 53.050 0.014 0.000 0.851 361 N CB 0.339 38.831 38.487 0.009 0.000 0.990 361 N HN 0.518 nan 8.380 nan 0.000 0.497 362 Y N 1.857 122.104 120.300 -0.088 0.000 2.810 362 Y HA -0.097 4.447 4.550 -0.010 0.000 0.332 362 Y C 0.452 176.275 175.900 -0.129 0.000 1.243 362 Y CA -0.424 57.605 58.100 -0.117 0.000 1.537 362 Y CB 0.345 38.724 38.460 -0.135 0.000 1.265 362 Y HN 0.037 nan 8.280 nan 0.000 0.572 363 C N 8.266 127.221 119.300 -0.575 0.000 2.442 363 C HA 0.552 5.007 4.460 -0.010 0.000 0.362 363 C C -0.623 174.006 174.990 -0.602 0.000 1.242 363 C CA -0.678 58.067 59.018 -0.456 0.000 1.741 363 C CB -2.206 25.369 27.740 -0.276 0.000 2.378 363 C HN 0.596 nan 8.230 nan 0.000 0.549 364 V N 8.554 128.251 119.914 -0.362 0.000 2.409 364 V HA 0.511 4.625 4.120 -0.010 0.000 0.291 364 V C -0.085 175.905 176.094 -0.172 0.000 1.020 364 V CA -0.349 61.758 62.300 -0.322 0.000 0.848 364 V CB 1.302 32.874 31.823 -0.418 0.000 0.990 364 V HN 0.717 nan 8.190 nan 0.000 0.430 365 L N 4.195 125.401 121.223 -0.027 0.000 2.362 365 L HA 0.656 4.991 4.340 -0.010 0.000 0.271 365 L C -0.467 176.452 176.870 0.082 0.000 1.002 365 L CA -0.585 54.254 54.840 -0.002 0.000 0.818 365 L CB 2.213 44.266 42.059 -0.011 0.000 1.298 365 L HN 0.628 nan 8.230 nan 0.000 0.420 366 Q N 2.576 122.384 119.800 0.013 0.000 2.293 366 Q HA 0.590 4.924 4.340 -0.010 0.000 0.261 366 Q C -1.117 174.752 176.000 -0.219 0.000 0.960 366 Q CA -0.752 55.041 55.803 -0.016 0.000 0.882 366 Q CB 2.063 30.822 28.738 0.036 0.000 1.275 366 Q HN 0.560 nan 8.270 nan 0.000 0.445 367 M N 3.401 122.756 119.600 -0.408 0.000 2.364 367 M HA 0.301 4.775 4.480 -0.010 0.000 0.334 367 M C -1.403 174.600 176.300 -0.496 0.000 1.107 367 M CA -0.655 54.261 55.300 -0.640 0.000 0.988 367 M CB 1.708 33.506 32.600 -1.337 0.000 1.673 367 M HN 0.558 nan 8.290 nan 0.000 0.441 368 D N 3.841 124.054 120.400 -0.313 0.000 2.338 368 D HA 0.221 4.855 4.640 -0.010 0.000 0.255 368 D C 0.882 177.189 176.300 0.011 0.000 1.237 368 D CA 0.678 54.612 54.000 -0.109 0.000 0.883 368 D CB 1.405 42.188 40.800 -0.029 0.000 1.087 368 D HN 0.818 nan 8.370 nan 0.000 0.485 369 Q N 2.524 122.374 119.800 0.083 0.000 2.197 369 Q HA -0.219 4.115 4.340 -0.010 0.000 0.207 369 Q C 2.052 178.195 176.000 0.237 0.000 0.984 369 Q CA 2.240 58.215 55.803 0.286 0.000 0.869 369 Q CB -0.893 27.978 28.738 0.221 0.000 0.906 369 Q HN 0.662 nan 8.270 nan 0.000 0.426 370 S N -1.821 113.968 115.700 0.148 0.000 2.496 370 S HA 0.059 4.523 4.470 -0.010 0.000 0.224 370 S C 0.787 175.455 174.600 0.113 0.000 0.996 370 S CA 0.073 58.337 58.200 0.107 0.000 0.927 370 S CB -0.534 62.706 63.200 0.068 0.000 0.774 370 S HN 0.693 nan 8.310 nan 0.000 0.524 371 Y N 3.756 124.089 120.300 0.055 0.000 2.717 371 Y HA 0.271 4.815 4.550 -0.010 0.000 0.330 371 Y C -0.047 175.895 175.900 0.071 0.000 1.217 371 Y CA -0.003 58.122 58.100 0.042 0.000 1.506 371 Y CB 0.358 38.824 38.460 0.011 0.000 1.268 371 Y HN -0.008 nan 8.280 nan 0.000 0.561 372 K N 8.825 128.714 120.400 -0.851 0.000 2.345 372 K HA 0.377 4.691 4.320 -0.010 0.000 0.255 372 K C -2.714 173.308 176.600 -0.963 0.000 0.934 372 K CA -1.850 54.043 56.287 -0.656 0.000 0.801 372 K CB 1.784 34.110 32.500 -0.291 0.000 1.137 372 K HN 0.536 nan 8.250 nan 0.000 0.424 373 P HA 0.167 nan 4.420 nan 0.000 0.276 373 P C -0.537 176.692 177.300 -0.120 0.000 1.244 373 P CA -0.379 62.575 63.100 -0.243 0.000 0.801 373 P CB 0.891 32.599 31.700 0.013 0.000 1.006 374 D N 0.800 121.182 120.400 -0.030 0.000 2.372 374 D HA -0.027 4.608 4.640 -0.010 0.000 0.243 374 D C 1.240 177.537 176.300 -0.005 0.000 1.121 374 D CA 0.105 54.095 54.000 -0.017 0.000 0.898 374 D CB 0.992 41.798 40.800 0.010 0.000 1.202 374 D HN 0.514 nan 8.370 nan 0.000 0.428 375 E N 1.522 121.716 120.200 -0.009 0.000 2.204 375 E HA -0.200 4.144 4.350 -0.010 0.000 0.195 375 E C 0.316 176.923 176.600 0.012 0.000 0.990 375 E CA 0.549 56.948 56.400 -0.001 0.000 0.821 375 E CB 0.225 29.921 29.700 -0.007 0.000 0.750 375 E HN 0.296 nan 8.360 nan 0.000 0.477 376 N N 0.670 119.378 118.700 0.014 0.000 2.473 376 N HA 0.037 4.771 4.740 -0.010 0.000 0.291 376 N C -1.582 173.946 175.510 0.029 0.000 1.083 376 N CA -0.403 52.660 53.050 0.021 0.000 0.951 376 N CB 0.916 39.411 38.487 0.014 0.000 1.164 376 N HN 0.071 nan 8.380 nan 0.000 0.480 377 E N 0.995 121.218 120.200 0.038 0.000 2.290 377 E HA 0.509 4.853 4.350 -0.010 0.000 0.274 377 E C -1.502 175.129 176.600 0.052 0.000 0.889 377 E CA -0.979 55.447 56.400 0.045 0.000 0.760 377 E CB 1.358 31.094 29.700 0.059 0.000 1.206 377 E HN 0.164 nan 8.360 nan 0.000 0.419 378 V N 2.332 122.277 119.914 0.051 0.000 2.769 378 V HA 0.688 4.802 4.120 -0.010 0.000 0.312 378 V C -0.182 175.968 176.094 0.093 0.000 1.058 378 V CA -0.876 61.465 62.300 0.069 0.000 0.952 378 V CB 1.574 33.425 31.823 0.047 0.000 1.019 378 V HN 0.841 nan 8.190 nan 0.000 0.445 379 R N 0.468 121.043 120.500 0.126 0.000 2.698 379 R HA 0.718 5.052 4.340 -0.010 0.000 0.275 379 R C -1.267 175.136 176.300 0.173 0.000 1.001 379 R CA -0.616 55.568 56.100 0.140 0.000 0.896 379 R CB 1.716 32.086 30.300 0.117 0.000 1.218 379 R HN 0.515 nan 8.270 nan 0.000 0.462 380 T N 3.022 117.680 114.554 0.172 0.000 2.799 380 T HA 0.429 4.773 4.350 -0.010 0.000 0.286 380 T C -0.942 173.802 174.700 0.074 0.000 0.973 380 T CA -0.556 61.615 62.100 0.118 0.000 1.035 380 T CB 0.994 69.938 68.868 0.127 0.000 0.932 380 T HN 0.406 nan 8.240 nan 0.000 0.469 381 L N 4.934 126.183 121.223 0.043 0.000 2.446 381 L HA 0.532 4.866 4.340 -0.010 0.000 0.268 381 L C -0.358 176.602 176.870 0.149 0.000 0.975 381 L CA -0.796 54.095 54.840 0.085 0.000 0.848 381 L CB 0.518 42.619 42.059 0.070 0.000 1.225 381 L HN 0.696 nan 8.230 nan 0.000 0.410 382 F N 5.591 125.515 119.950 -0.043 0.000 3.067 382 F HA -0.125 4.397 4.527 -0.010 0.000 0.279 382 F C 1.321 177.078 175.800 -0.072 0.000 0.945 382 F CA 1.494 59.466 58.000 -0.047 0.000 0.948 382 F CB -1.056 37.920 39.000 -0.040 0.000 0.898 382 F HN 1.049 nan 8.300 nan 0.000 0.746 383 G N 0.121 108.837 108.800 -0.140 0.000 2.189 383 G HA2 -0.310 3.644 3.960 -0.010 0.000 0.267 383 G HA3 -0.310 3.644 3.960 -0.010 0.000 0.267 383 G C 0.309 174.992 174.900 -0.361 0.000 0.975 383 G CA 0.337 45.282 45.100 -0.259 0.000 0.644 383 G HN 0.740 nan 8.290 nan 0.000 0.537 384 L N 0.433 121.484 121.223 -0.287 0.000 2.334 384 L HA 0.604 4.939 4.340 -0.010 0.000 0.270 384 L C 0.171 176.817 176.870 -0.374 0.000 1.018 384 L CA -1.291 53.362 54.840 -0.311 0.000 0.811 384 L CB 1.326 43.334 42.059 -0.086 0.000 1.271 384 L HN 0.073 nan 8.230 nan 0.000 0.443 385 H N 2.706 121.798 119.070 0.037 0.000 2.476 385 H HA 0.475 5.025 4.556 -0.010 0.000 0.328 385 H C -0.672 174.683 175.328 0.044 0.000 1.073 385 H CA -0.475 55.598 56.048 0.043 0.000 1.229 385 H CB 2.008 31.793 29.762 0.038 0.000 1.432 385 H HN 0.304 nan 8.280 nan 0.000 0.477 386 L N 1.845 123.164 121.223 0.160 0.000 2.317 386 L HA 0.361 4.695 4.340 -0.010 0.000 0.281 386 L C 0.408 177.340 176.870 0.105 0.000 1.024 386 L CA -0.456 54.450 54.840 0.110 0.000 0.810 386 L CB 1.829 43.940 42.059 0.087 0.000 1.240 386 L HN 0.440 nan 8.230 nan 0.000 0.427 387 S N 2.531 118.280 115.700 0.082 0.000 2.548 387 S HA 0.790 5.254 4.470 -0.010 0.000 0.286 387 S C -1.317 173.316 174.600 0.056 0.000 1.098 387 S CA -0.476 57.764 58.200 0.065 0.000 0.930 387 S CB 1.799 65.031 63.200 0.053 0.000 1.070 387 S HN 0.691 nan 8.310 nan 0.000 0.480 388 Q N 1.350 121.180 119.800 0.051 0.000 2.776 388 Q HA 0.383 4.717 4.340 -0.010 0.000 0.289 388 Q C -1.825 174.199 176.000 0.040 0.000 0.912 388 Q CA -1.313 54.518 55.803 0.046 0.000 0.789 388 Q CB 0.610 29.382 28.738 0.057 0.000 1.498 388 Q HN 0.659 nan 8.270 nan 0.000 0.408 389 K N 1.161 121.580 120.400 0.032 0.000 2.218 389 K HA 0.409 4.723 4.320 -0.010 0.000 0.276 389 K C -0.091 176.530 176.600 0.034 0.000 1.022 389 K CA -0.760 55.543 56.287 0.025 0.000 0.946 389 K CB 1.265 33.773 32.500 0.014 0.000 1.000 389 K HN 0.736 nan 8.250 nan 0.000 0.468 390 R N 1.576 122.099 120.500 0.037 0.000 2.919 390 R HA -0.002 4.333 4.340 -0.010 0.000 0.284 390 R C -0.358 175.959 176.300 0.029 0.000 1.104 390 R CA -0.528 55.601 56.100 0.049 0.000 1.207 390 R CB 0.026 30.360 30.300 0.057 0.000 1.162 390 R HN 0.654 nan 8.270 nan 0.000 0.561 391 N N 0.515 119.229 118.700 0.024 0.000 2.469 391 N HA 0.057 4.791 4.740 -0.010 0.000 0.239 391 N C -1.036 174.456 175.510 -0.029 0.000 1.053 391 N CA -0.262 52.775 53.050 -0.021 0.000 0.937 391 N CB 0.290 38.737 38.487 -0.067 0.000 1.163 391 N HN 0.485 nan 8.380 nan 0.000 0.509 392 N N 1.447 120.131 118.700 -0.027 0.000 2.273 392 N HA 0.135 4.870 4.740 -0.010 0.000 0.231 392 N C 0.277 175.761 175.510 -0.044 0.000 1.134 392 N CA -0.154 52.881 53.050 -0.024 0.000 0.856 392 N CB 0.533 39.009 38.487 -0.018 0.000 1.068 392 N HN 0.533 nan 8.380 nan 0.000 0.510 393 G N 0.433 109.193 108.800 -0.068 0.000 2.353 393 G HA2 0.204 4.158 3.960 -0.010 0.000 0.239 393 G HA3 0.204 4.158 3.960 -0.010 0.000 0.239 393 G C 0.164 175.016 174.900 -0.079 0.000 1.295 393 G CA 0.005 45.054 45.100 -0.084 0.000 0.884 393 G HN -0.004 nan 8.290 nan 0.000 0.537 394 V N 2.712 122.579 119.914 -0.079 0.000 2.481 394 V HA 0.313 4.428 4.120 -0.010 0.000 0.286 394 V C 0.195 176.237 176.094 -0.087 0.000 1.042 394 V CA -0.648 61.612 62.300 -0.068 0.000 0.928 394 V CB 1.674 33.461 31.823 -0.060 0.000 0.986 394 V HN 0.497 nan 8.190 nan 0.000 0.462 395 V N 5.261 125.145 119.914 -0.051 0.000 2.334 395 V HA 0.611 4.726 4.120 -0.010 0.000 0.281 395 V C -0.515 175.587 176.094 0.014 0.000 1.016 395 V CA -0.338 61.942 62.300 -0.033 0.000 0.832 395 V CB 1.221 33.069 31.823 0.041 0.000 0.999 395 V HN 1.159 nan 8.190 nan 0.000 0.439 396 D N 3.080 123.478 120.400 -0.004 0.000 2.643 396 D HA 0.379 5.013 4.640 -0.010 0.000 0.283 396 D C 0.501 176.873 176.300 0.121 0.000 1.242 396 D CA -0.913 53.122 54.000 0.057 0.000 0.863 396 D CB 1.114 41.916 40.800 0.002 0.000 1.382 396 D HN 0.107 nan 8.370 nan 0.000 0.444 397 K N -0.157 120.330 120.400 0.145 0.000 2.059 397 K HA -0.189 4.126 4.320 -0.010 0.000 0.212 397 K C 1.885 178.568 176.600 0.138 0.000 1.050 397 K CA 2.062 58.469 56.287 0.199 0.000 0.927 397 K CB -1.156 31.401 32.500 0.094 0.000 0.714 397 K HN 0.333 nan 8.250 nan 0.000 0.447 398 S N 0.530 116.238 115.700 0.014 0.000 2.380 398 S HA -0.162 4.302 4.470 -0.010 0.000 0.229 398 S C 1.805 176.317 174.600 -0.146 0.000 1.043 398 S CA 1.183 59.356 58.200 -0.045 0.000 1.038 398 S CB -0.426 62.740 63.200 -0.058 0.000 0.872 398 S HN 0.308 nan 8.310 nan 0.000 0.456 399 L N 0.452 121.478 121.223 -0.328 0.000 2.197 399 L HA -0.013 4.321 4.340 -0.010 0.000 0.215 399 L C 1.182 177.618 176.870 -0.723 0.000 1.095 399 L CA 1.804 56.271 54.840 -0.620 0.000 0.764 399 L CB -0.711 40.781 42.059 -0.945 0.000 0.897 399 L HN 0.466 nan 8.230 nan 0.000 0.436 400 F N -2.375 117.564 119.950 -0.018 0.000 2.664 400 F HA 0.213 4.737 4.527 -0.005 0.000 0.303 400 F C 2.118 177.912 175.800 -0.010 0.000 1.092 400 F CA 0.148 58.140 58.000 -0.013 0.000 1.305 400 F CB -0.876 38.111 39.000 -0.022 0.000 1.054 400 F HN -0.123 nan 8.300 nan 0.000 0.565 401 S N 0.027 115.764 115.700 0.062 0.000 2.383 401 S HA -0.252 4.212 4.470 -0.010 0.000 0.229 401 S C 1.284 175.908 174.600 0.040 0.000 1.030 401 S CA 1.244 59.470 58.200 0.044 0.000 1.002 401 S CB -0.487 62.717 63.200 0.006 0.000 0.829 401 S HN 0.363 nan 8.310 nan 0.000 0.467 402 N N 2.322 121.040 118.700 0.031 0.000 2.819 402 N HA 0.087 4.821 4.740 -0.010 0.000 0.284 402 N C -1.170 174.374 175.510 0.057 0.000 1.196 402 N CA -0.001 53.071 53.050 0.037 0.000 1.114 402 N CB -0.163 38.342 38.487 0.030 0.000 1.437 402 N HN -0.062 nan 8.380 nan 0.000 0.518 403 V N 3.041 122.982 119.914 0.045 0.000 2.405 403 V HA 0.063 4.178 4.120 -0.010 0.000 0.264 403 V C 1.048 177.144 176.094 0.004 0.000 1.048 403 V CA -0.364 61.955 62.300 0.032 0.000 0.966 403 V CB 1.183 33.026 31.823 0.033 0.000 1.015 403 V HN 0.298 nan 8.190 nan 0.000 0.477 404 V N 5.701 125.595 119.914 -0.034 0.000 3.252 404 V HA 0.167 4.282 4.120 -0.010 0.000 0.350 404 V C 0.829 176.885 176.094 -0.063 0.000 1.329 404 V CA 0.573 62.843 62.300 -0.049 0.000 1.258 404 V CB -0.036 31.748 31.823 -0.065 0.000 1.208 404 V HN 1.045 nan 8.190 nan 0.000 0.462 405 T N -1.868 112.659 114.554 -0.045 0.000 2.924 405 T HA 0.503 4.847 4.350 -0.010 0.000 0.291 405 T C -0.395 174.294 174.700 -0.019 0.000 1.045 405 T CA -0.919 61.158 62.100 -0.038 0.000 1.015 405 T CB 1.719 70.564 68.868 -0.039 0.000 1.103 405 T HN 0.260 nan 8.240 nan 0.000 0.496 406 K N 2.436 122.825 120.400 -0.018 0.000 2.447 406 K HA 0.262 4.576 4.320 -0.010 0.000 0.281 406 K C -0.026 176.569 176.600 -0.007 0.000 1.031 406 K CA -0.052 56.228 56.287 -0.012 0.000 1.019 406 K CB -0.051 32.441 32.500 -0.013 0.000 0.918 406 K HN 0.852 nan 8.250 nan 0.000 0.476 407 N N 1.307 120.006 118.700 -0.001 0.000 3.222 407 N HA -0.124 4.610 4.740 -0.010 0.000 0.268 407 N C -0.604 174.914 175.510 0.015 0.000 1.088 407 N CA 0.903 53.957 53.050 0.007 0.000 0.683 407 N CB -0.971 37.520 38.487 0.006 0.000 1.148 407 N HN 0.687 nan 8.380 nan 0.000 0.558 408 K N 0.482 120.890 120.400 0.013 0.000 2.551 408 K HA 0.393 4.707 4.320 -0.010 0.000 0.204 408 K C 0.623 177.235 176.600 0.019 0.000 1.033 408 K CA 0.798 57.095 56.287 0.017 0.000 1.187 408 K CB -0.996 31.512 32.500 0.012 0.000 0.900 408 K HN 0.847 nan 8.250 nan 0.000 0.499 409 D N 0.830 121.244 120.400 0.024 0.000 2.441 409 D HA 0.516 5.150 4.640 -0.010 0.000 0.221 409 D C -0.352 175.965 176.300 0.029 0.000 1.156 409 D CA -0.459 53.553 54.000 0.021 0.000 0.896 409 D CB 0.482 41.296 40.800 0.023 0.000 1.028 409 D HN 0.314 nan 8.370 nan 0.000 0.509 410 L N 3.424 124.639 121.223 -0.013 0.000 2.318 410 L HA 0.499 4.833 4.340 -0.010 0.000 0.277 410 L C -2.424 174.355 176.870 -0.153 0.000 1.008 410 L CA -1.700 53.086 54.840 -0.089 0.000 0.846 410 L CB 1.904 43.908 42.059 -0.092 0.000 1.220 410 L HN 0.166 nan 8.230 nan 0.000 0.423 411 P HA 0.043 nan 4.420 nan 0.000 0.266 411 P C 0.347 177.528 177.300 -0.199 0.000 1.193 411 P CA -0.069 62.927 63.100 -0.174 0.000 0.770 411 P CB 0.632 32.225 31.700 -0.179 0.000 0.836 412 E N 1.041 121.166 120.200 -0.125 0.000 2.160 412 E HA -0.169 4.175 4.350 -0.010 0.000 0.195 412 E C 1.826 178.342 176.600 -0.140 0.000 0.991 412 E CA 1.884 58.217 56.400 -0.112 0.000 0.810 412 E CB -0.481 29.179 29.700 -0.065 0.000 0.742 412 E HN 0.605 nan 8.360 nan 0.000 0.466 413 S N 0.805 116.419 115.700 -0.144 0.000 2.355 413 S HA -0.055 4.410 4.470 -0.010 0.000 0.222 413 S C 2.276 176.741 174.600 -0.226 0.000 1.031 413 S CA 1.137 59.254 58.200 -0.139 0.000 0.993 413 S CB -0.245 62.899 63.200 -0.094 0.000 0.859 413 S HN 0.255 nan 8.310 nan 0.000 0.453 414 A N 1.783 124.369 122.820 -0.391 0.000 1.898 414 A HA 0.112 4.426 4.320 -0.010 0.000 0.216 414 A C 2.247 179.549 177.584 -0.470 0.000 1.181 414 A CA 1.491 53.159 52.037 -0.615 0.000 0.620 414 A CB -0.931 17.189 19.000 -1.467 0.000 0.819 414 A HN 0.513 nan 8.150 nan 0.000 0.442 415 L N -0.015 120.968 121.223 -0.400 0.000 2.083 415 L HA -0.143 4.191 4.340 -0.010 0.000 0.209 415 L C 2.480 179.156 176.870 -0.323 0.000 1.083 415 L CA 2.342 56.959 54.840 -0.371 0.000 0.752 415 L CB -0.517 41.412 42.059 -0.217 0.000 0.899 415 L HN 0.485 nan 8.230 nan 0.000 0.433 416 R N -0.693 119.678 120.500 -0.215 0.000 2.075 416 R HA -0.157 4.177 4.340 -0.010 0.000 0.232 416 R C 1.734 177.945 176.300 -0.148 0.000 1.126 416 R CA 1.821 57.837 56.100 -0.141 0.000 0.963 416 R CB -0.334 29.911 30.300 -0.092 0.000 0.858 416 R HN 0.416 nan 8.270 nan 0.000 0.435 417 D N 0.726 121.022 120.400 -0.173 0.000 2.178 417 D HA -0.113 4.521 4.640 -0.010 0.000 0.202 417 D C 2.016 178.212 176.300 -0.174 0.000 0.974 417 D CA 0.846 54.762 54.000 -0.139 0.000 0.841 417 D CB -0.096 40.635 40.800 -0.115 0.000 0.953 417 D HN 0.286 nan 8.370 nan 0.000 0.478 418 L N 0.400 121.433 121.223 -0.317 0.000 2.141 418 L HA -0.095 4.239 4.340 -0.010 0.000 0.209 418 L C 2.441 179.145 176.870 -0.277 0.000 1.094 418 L CA 0.528 55.118 54.840 -0.418 0.000 0.763 418 L CB -0.221 41.291 42.059 -0.912 0.000 0.908 418 L HN 0.010 nan 8.230 nan 0.000 0.437 419 I N -0.869 119.563 120.570 -0.231 0.000 2.142 419 I HA -0.260 3.904 4.170 -0.010 0.000 0.240 419 I C 2.461 178.603 176.117 0.042 0.000 1.078 419 I CA 1.122 62.445 61.300 0.038 0.000 1.343 419 I CB -0.256 37.769 38.000 0.040 0.000 1.046 419 I HN -0.008 nan 8.210 nan 0.000 0.405 420 V N 1.138 121.048 119.914 -0.007 0.000 2.287 420 V HA -0.332 3.782 4.120 -0.010 0.000 0.248 420 V C 2.685 178.796 176.094 0.029 0.000 1.053 420 V CA 2.146 64.454 62.300 0.014 0.000 1.027 420 V CB -1.164 30.656 31.823 -0.006 0.000 0.646 420 V HN 0.516 nan 8.190 nan 0.000 0.447 421 A N -0.409 122.414 122.820 0.004 0.000 1.898 421 A HA -0.194 4.120 4.320 -0.010 0.000 0.216 421 A C 2.388 180.001 177.584 0.049 0.000 1.181 421 A CA 2.388 54.437 52.037 0.020 0.000 0.620 421 A CB -0.887 18.108 19.000 -0.007 0.000 0.819 421 A HN 0.509 nan 8.150 nan 0.000 0.442 422 T N 0.062 114.661 114.554 0.075 0.000 2.857 422 T HA 0.011 4.355 4.350 -0.010 0.000 0.266 422 T C 1.767 176.505 174.700 0.064 0.000 1.048 422 T CA 1.229 63.389 62.100 0.099 0.000 1.139 422 T CB -0.300 68.704 68.868 0.227 0.000 0.874 422 T HN 0.393 nan 8.240 nan 0.000 0.455 423 I N 1.201 121.823 120.570 0.087 0.000 2.394 423 I HA -0.137 4.027 4.170 -0.010 0.000 0.251 423 I C 2.829 179.032 176.117 0.144 0.000 1.136 423 I CA 0.803 62.164 61.300 0.102 0.000 1.425 423 I CB -0.363 37.709 38.000 0.121 0.000 1.079 423 I HN 0.201 nan 8.210 nan 0.000 0.425 424 A N 0.717 123.610 122.820 0.122 0.000 1.873 424 A HA -0.169 4.145 4.320 -0.010 0.000 0.215 424 A C 2.343 179.987 177.584 0.099 0.000 1.186 424 A CA 1.949 54.069 52.037 0.138 0.000 0.616 424 A CB -0.998 18.059 19.000 0.095 0.000 0.823 424 A HN 0.350 nan 8.150 nan 0.000 0.442 425 V N -1.564 118.380 119.914 0.049 0.000 2.759 425 V HA -0.150 3.964 4.120 -0.010 0.000 0.256 425 V C 2.114 178.180 176.094 -0.046 0.000 1.080 425 V CA 2.299 64.612 62.300 0.022 0.000 1.101 425 V CB -0.921 30.913 31.823 0.017 0.000 0.698 425 V HN 0.578 nan 8.190 nan 0.000 0.477 426 K N -0.378 119.940 120.400 -0.136 0.000 2.211 426 K HA -0.121 4.193 4.320 -0.010 0.000 0.203 426 K C 1.171 177.363 176.600 -0.681 0.000 1.050 426 K CA 1.554 57.600 56.287 -0.401 0.000 0.945 426 K CB -0.129 32.063 32.500 -0.512 0.000 0.732 426 K HN 0.602 nan 8.250 nan 0.000 0.451 427 Y N 0.467 120.727 120.300 -0.067 0.000 2.720 427 Y HA 0.232 4.776 4.550 -0.011 0.000 0.277 427 Y C -0.354 175.655 175.900 0.182 0.000 1.144 427 Y CA -0.265 57.826 58.100 -0.016 0.000 1.221 427 Y CB 0.881 39.437 38.460 0.161 0.000 1.163 427 Y HN -0.176 nan 8.280 nan 0.000 0.537 428 T N 0.854 115.535 114.554 0.212 0.000 2.888 428 T HA 0.290 4.634 4.350 -0.010 0.000 0.284 428 T C -0.227 174.595 174.700 0.202 0.000 1.017 428 T CA -0.892 61.306 62.100 0.163 0.000 1.022 428 T CB 1.432 70.341 68.868 0.069 0.000 1.013 428 T HN -0.121 nan 8.240 nan 0.000 0.465 429 Q N 1.693 121.563 119.800 0.118 0.000 2.337 429 Q HA 0.299 4.633 4.340 -0.010 0.000 0.270 429 Q C 0.151 176.131 176.000 -0.033 0.000 1.002 429 Q CA 0.125 55.930 55.803 0.003 0.000 0.888 429 Q CB 0.704 29.461 28.738 0.032 0.000 1.222 429 Q HN 0.607 nan 8.270 nan 0.000 0.400 430 S N 2.128 117.700 115.700 -0.212 0.000 2.617 430 S HA 0.250 4.714 4.470 -0.010 0.000 0.269 430 S C 0.365 174.978 174.600 0.022 0.000 1.292 430 S CA -0.769 57.359 58.200 -0.120 0.000 1.010 430 S CB 0.575 63.605 63.200 -0.284 0.000 0.944 430 S HN 0.453 nan 8.310 nan 0.000 0.536 431 N N 1.455 120.178 118.700 0.040 0.000 2.416 431 N HA 0.184 4.918 4.740 -0.010 0.000 0.246 431 N C -0.646 174.920 175.510 0.093 0.000 1.260 431 N CA 0.398 53.492 53.050 0.074 0.000 0.897 431 N CB 0.563 39.107 38.487 0.095 0.000 1.110 431 N HN 0.411 nan 8.380 nan 0.000 0.439 432 S N 0.253 116.023 115.700 0.116 0.000 2.536 432 S HA 0.653 5.117 4.470 -0.010 0.000 0.287 432 S C -0.703 173.960 174.600 0.105 0.000 1.101 432 S CA -0.713 57.547 58.200 0.099 0.000 0.950 432 S CB 1.969 65.216 63.200 0.079 0.000 1.056 432 S HN 0.228 nan 8.310 nan 0.000 0.481 433 V N 1.635 121.624 119.914 0.125 0.000 2.711 433 V HA 0.511 4.625 4.120 -0.010 0.000 0.304 433 V C -0.922 175.274 176.094 0.169 0.000 1.097 433 V CA -0.751 61.638 62.300 0.148 0.000 0.906 433 V CB 1.657 33.610 31.823 0.216 0.000 1.015 433 V HN 1.046 nan 8.190 nan 0.000 0.427 434 C N 6.027 125.404 119.300 0.128 0.000 2.441 434 C HA 0.806 5.260 4.460 -0.010 0.000 0.318 434 C C -1.065 174.003 174.990 0.131 0.000 1.222 434 C CA -0.498 58.609 59.018 0.148 0.000 1.474 434 C CB 0.548 28.337 27.740 0.082 0.000 2.125 434 C HN 0.770 nan 8.230 nan 0.000 0.479 435 Y N 3.499 123.789 120.300 -0.016 0.000 2.361 435 Y HA 0.693 5.235 4.550 -0.014 0.000 0.332 435 Y C 0.632 176.473 175.900 -0.098 0.000 1.101 435 Y CA 0.041 58.114 58.100 -0.045 0.000 1.137 435 Y CB 1.687 40.113 38.460 -0.057 0.000 1.207 435 Y HN 1.007 nan 8.280 nan 0.000 0.463 436 A N 3.256 126.093 122.820 0.028 0.000 2.572 436 A HA 0.853 5.167 4.320 -0.010 0.000 0.295 436 A C -1.376 176.161 177.584 -0.078 0.000 1.072 436 A CA -0.870 51.129 52.037 -0.064 0.000 0.691 436 A CB 2.204 21.172 19.000 -0.052 0.000 1.291 436 A HN 0.675 nan 8.150 nan 0.000 0.404 437 K N 0.748 121.076 120.400 -0.120 0.000 2.578 437 K HA 0.396 4.710 4.320 -0.010 0.000 0.269 437 K C -0.967 175.616 176.600 -0.027 0.000 0.941 437 K CA -0.568 55.679 56.287 -0.066 0.000 0.847 437 K CB 1.006 33.469 32.500 -0.061 0.000 1.397 437 K HN 0.747 nan 8.250 nan 0.000 0.422 438 N N 1.415 120.126 118.700 0.019 0.000 2.727 438 N HA -0.200 4.534 4.740 -0.010 0.000 0.249 438 N C 0.335 175.870 175.510 0.041 0.000 1.048 438 N CA 1.602 54.686 53.050 0.057 0.000 0.714 438 N CB -1.533 37.037 38.487 0.138 0.000 0.959 438 N HN 1.059 nan 8.380 nan 0.000 0.544 439 G N -0.738 108.064 108.800 0.003 0.000 2.203 439 G HA2 -0.334 3.620 3.960 -0.010 0.000 0.263 439 G HA3 -0.334 3.620 3.960 -0.010 0.000 0.263 439 G C -0.062 174.844 174.900 0.011 0.000 1.012 439 G CA 1.247 46.350 45.100 0.004 0.000 0.749 439 G HN 0.991 nan 8.290 nan 0.000 0.512 440 Q N -1.665 118.127 119.800 -0.014 0.000 2.456 440 Q HA 0.746 5.081 4.340 -0.010 0.000 0.284 440 Q C -0.653 175.289 176.000 -0.097 0.000 1.061 440 Q CA -1.204 54.583 55.803 -0.027 0.000 0.799 440 Q CB 2.032 30.771 28.738 0.002 0.000 1.445 440 Q HN 0.308 nan 8.270 nan 0.000 0.411 441 V N 2.901 122.767 119.914 -0.080 0.000 2.686 441 V HA 0.152 4.266 4.120 -0.010 0.000 0.295 441 V C 0.801 176.737 176.094 -0.263 0.000 1.055 441 V CA 0.218 62.456 62.300 -0.102 0.000 1.050 441 V CB 0.892 32.699 31.823 -0.027 0.000 0.984 441 V HN 0.849 nan 8.190 nan 0.000 0.482 442 I N 1.096 121.467 120.570 -0.332 0.000 4.338 442 I HA 0.683 4.847 4.170 -0.010 0.000 0.329 442 I C 0.593 176.551 176.117 -0.265 0.000 1.378 442 I CA 0.051 60.968 61.300 -0.639 0.000 1.170 442 I CB 0.969 38.309 38.000 -1.100 0.000 1.206 442 I HN 0.633 nan 8.210 nan 0.000 0.432 443 G N 2.594 111.333 108.800 -0.103 0.000 2.269 443 G HA2 0.445 4.400 3.960 -0.010 0.000 0.297 443 G HA3 0.445 4.400 3.960 -0.010 0.000 0.297 443 G C -1.566 173.365 174.900 0.052 0.000 1.340 443 G CA -0.270 44.806 45.100 -0.041 0.000 1.240 443 G HN 0.003 nan 8.290 nan 0.000 0.596 444 I N 2.185 122.786 120.570 0.053 0.000 2.406 444 I HA 0.535 4.699 4.170 -0.010 0.000 0.290 444 I C 0.667 176.832 176.117 0.080 0.000 0.999 444 I CA -0.529 60.816 61.300 0.075 0.000 1.124 444 I CB 1.626 39.651 38.000 0.041 0.000 1.289 444 I HN 0.549 nan 8.210 nan 0.000 0.441 445 G N 5.773 114.638 108.800 0.107 0.000 2.468 445 G HA2 0.643 4.597 3.960 -0.010 0.000 0.320 445 G HA3 0.643 4.597 3.960 -0.010 0.000 0.320 445 G C -0.373 174.583 174.900 0.092 0.000 1.137 445 G CA -0.242 44.920 45.100 0.104 0.000 0.984 445 G HN 0.704 nan 8.290 nan 0.000 0.462 446 A N 1.631 124.495 122.820 0.073 0.000 2.330 446 A HA 0.833 5.148 4.320 -0.010 0.000 0.329 446 A C 1.334 178.957 177.584 0.066 0.000 1.135 446 A CA 0.146 52.221 52.037 0.064 0.000 0.817 446 A CB 0.987 20.016 19.000 0.048 0.000 1.269 446 A HN 2.249 nan 8.150 nan 0.000 0.469 447 G N 0.021 108.859 108.800 0.064 0.000 2.200 447 G HA2 -0.232 3.722 3.960 -0.010 0.000 0.267 447 G HA3 -0.232 3.722 3.960 -0.010 0.000 0.267 447 G C 0.275 175.218 174.900 0.072 0.000 0.993 447 G CA 0.789 45.932 45.100 0.071 0.000 0.701 447 G HN 0.779 nan 8.290 nan 0.000 0.524 448 Q N -0.713 119.138 119.800 0.084 0.000 2.392 448 Q HA 0.355 4.689 4.340 -0.010 0.000 0.262 448 Q C 1.281 177.335 176.000 0.091 0.000 1.003 448 Q CA 0.145 56.012 55.803 0.106 0.000 0.888 448 Q CB 0.601 29.429 28.738 0.149 0.000 1.260 448 Q HN 0.516 nan 8.270 nan 0.000 0.435 449 Q N 0.036 119.900 119.800 0.107 0.000 2.403 449 Q HA 0.085 4.419 4.340 -0.010 0.000 0.203 449 Q C -0.300 175.718 176.000 0.030 0.000 0.932 449 Q CA 0.014 55.852 55.803 0.059 0.000 0.945 449 Q CB 0.527 29.301 28.738 0.060 0.000 1.045 449 Q HN 0.560 nan 8.270 nan 0.000 0.511 450 S N -2.183 113.539 115.700 0.036 0.000 2.562 450 S HA 0.474 4.938 4.470 -0.010 0.000 0.274 450 S C 0.001 174.614 174.600 0.022 0.000 1.160 450 S CA -1.023 57.149 58.200 -0.046 0.000 0.933 450 S CB 1.795 64.833 63.200 -0.271 0.000 1.100 450 S HN 0.035 nan 8.310 nan 0.000 0.468 451 R N 1.524 122.066 120.500 0.071 0.000 2.112 451 R HA -0.098 4.236 4.340 -0.010 0.000 0.242 451 R C 1.855 178.248 176.300 0.154 0.000 1.137 451 R CA 2.381 58.570 56.100 0.149 0.000 0.944 451 R CB -1.067 29.363 30.300 0.215 0.000 0.857 451 R HN 0.797 nan 8.270 nan 0.000 0.435 452 I N 0.402 121.021 120.570 0.082 0.000 2.335 452 I HA -0.260 3.904 4.170 -0.010 0.000 0.251 452 I C 1.597 177.790 176.117 0.128 0.000 1.129 452 I CA 1.745 63.085 61.300 0.067 0.000 1.402 452 I CB -0.564 37.417 38.000 -0.031 0.000 1.069 452 I HN 0.303 nan 8.210 nan 0.000 0.424 453 H N -1.006 118.100 119.070 0.061 0.000 2.387 453 H HA -0.127 4.423 4.556 -0.010 0.000 0.299 453 H C 2.497 177.870 175.328 0.075 0.000 1.090 453 H CA 1.452 57.532 56.048 0.052 0.000 1.332 453 H CB -0.953 28.833 29.762 0.041 0.000 1.386 453 H HN 0.405 nan 8.280 nan 0.000 0.516 454 C N 0.268 119.706 119.300 0.231 0.000 2.473 454 C HA -0.137 4.318 4.460 -0.010 0.000 0.279 454 C C 2.883 178.001 174.990 0.214 0.000 1.250 454 C CA 1.715 60.850 59.018 0.194 0.000 1.713 454 C CB -0.921 26.931 27.740 0.186 0.000 2.066 454 C HN 0.589 nan 8.230 nan 0.000 0.474 455 T N 0.332 115.026 114.554 0.234 0.000 2.699 455 T HA -0.194 4.150 4.350 -0.010 0.000 0.268 455 T C 1.890 176.732 174.700 0.237 0.000 1.036 455 T CA 1.496 63.762 62.100 0.276 0.000 1.147 455 T CB -0.281 68.703 68.868 0.194 0.000 0.862 455 T HN 0.574 nan 8.240 nan 0.000 0.446 456 R N 0.329 120.921 120.500 0.154 0.000 2.070 456 R HA 0.083 4.417 4.340 -0.010 0.000 0.232 456 R C 2.564 178.882 176.300 0.030 0.000 1.138 456 R CA 1.097 57.249 56.100 0.087 0.000 0.936 456 R CB -0.728 29.630 30.300 0.097 0.000 0.839 456 R HN 0.291 nan 8.270 nan 0.000 0.429 457 L N 0.475 121.735 121.223 0.061 0.000 2.043 457 L HA -0.232 4.102 4.340 -0.010 0.000 0.212 457 L C 2.339 179.200 176.870 -0.014 0.000 1.075 457 L CA 1.708 56.568 54.840 0.034 0.000 0.752 457 L CB -0.318 41.781 42.059 0.066 0.000 0.891 457 L HN 0.281 nan 8.230 nan 0.000 0.432 458 A N -0.677 122.148 122.820 0.007 0.000 1.930 458 A HA -0.029 4.285 4.320 -0.010 0.000 0.215 458 A C 2.267 179.516 177.584 -0.557 0.000 1.176 458 A CA 1.154 53.139 52.037 -0.086 0.000 0.632 458 A CB -1.106 18.015 19.000 0.201 0.000 0.819 458 A HN 0.517 nan 8.150 nan 0.000 0.445 459 G N 0.071 108.471 108.800 -0.667 0.000 2.418 459 G HA2 -0.249 3.705 3.960 -0.010 0.000 0.217 459 G HA3 -0.249 3.705 3.960 -0.010 0.000 0.217 459 G C 1.142 175.731 174.900 -0.519 0.000 1.158 459 G CA 1.245 45.809 45.100 -0.893 0.000 0.771 459 G HN 0.432 nan 8.290 nan 0.000 0.545 460 D N 0.727 120.901 120.400 -0.378 0.000 2.097 460 D HA -0.061 4.573 4.640 -0.010 0.000 0.195 460 D C 2.474 178.327 176.300 -0.745 0.000 0.989 460 D CA 0.871 54.540 54.000 -0.551 0.000 0.827 460 D CB -0.212 40.381 40.800 -0.345 0.000 0.966 460 D HN 0.274 nan 8.370 nan 0.000 0.456 461 K N 0.559 120.763 120.400 -0.326 0.000 2.152 461 K HA -0.101 4.213 4.320 -0.010 0.000 0.206 461 K C 2.058 178.645 176.600 -0.021 0.000 1.048 461 K CA 1.074 57.328 56.287 -0.055 0.000 0.933 461 K CB -0.045 32.476 32.500 0.035 0.000 0.721 461 K HN 0.044 nan 8.250 nan 0.000 0.447 462 A N 2.078 124.783 122.820 -0.193 0.000 1.855 462 A HA -0.201 4.114 4.320 -0.010 0.000 0.215 462 A C 1.799 179.483 177.584 0.167 0.000 1.191 462 A CA 1.620 53.628 52.037 -0.048 0.000 0.613 462 A CB -0.560 18.256 19.000 -0.306 0.000 0.829 462 A HN 0.223 nan 8.150 nan 0.000 0.442 463 N N -0.466 118.207 118.700 -0.046 0.000 2.037 463 N HA -0.227 4.507 4.740 -0.010 0.000 0.196 463 N C 1.588 177.272 175.510 0.290 0.000 1.034 463 N CA 2.176 55.282 53.050 0.093 0.000 0.861 463 N CB -0.871 37.532 38.487 -0.140 0.000 1.039 463 N HN 0.761 nan 8.380 nan 0.000 0.427 464 Y N -1.388 119.076 120.300 0.273 0.000 2.224 464 Y HA -0.222 4.323 4.550 -0.009 0.000 0.289 464 Y C 2.445 178.551 175.900 0.343 0.000 1.146 464 Y CA 0.518 58.769 58.100 0.252 0.000 1.182 464 Y CB -0.384 38.188 38.460 0.187 0.000 0.983 464 Y HN 0.200 nan 8.280 nan 0.000 0.524 465 W N 0.509 122.030 121.300 0.368 0.000 2.355 465 W HA -0.251 4.399 4.660 -0.018 0.000 0.309 465 W C 2.495 179.338 176.519 0.540 0.000 1.206 465 W CA 1.359 58.930 57.345 0.378 0.000 1.284 465 W CB -0.836 28.805 29.460 0.301 0.000 1.145 465 W HN 0.261 nan 8.180 nan 0.000 0.502 466 W N 0.800 122.339 121.300 0.399 0.000 2.333 466 W HA -0.287 4.358 4.660 -0.024 0.000 0.316 466 W C 1.961 178.750 176.519 0.450 0.000 1.215 466 W CA 1.644 59.125 57.345 0.228 0.000 1.278 466 W CB -0.700 28.934 29.460 0.291 0.000 1.154 466 W HN -0.140 nan 8.180 nan 0.000 0.486 467 L N 0.624 122.072 121.223 0.376 0.000 2.189 467 L HA -0.233 4.101 4.340 -0.010 0.000 0.214 467 L C 2.505 179.349 176.870 -0.044 0.000 1.097 467 L CA 1.312 56.213 54.840 0.102 0.000 0.764 467 L CB -0.694 41.481 42.059 0.194 0.000 0.900 467 L HN -0.023 nan 8.230 nan 0.000 0.436 468 R N -1.367 119.162 120.500 0.049 0.000 2.280 468 R HA -0.100 4.234 4.340 -0.010 0.000 0.207 468 R C 1.704 177.880 176.300 -0.207 0.000 1.043 468 R CA 0.542 56.612 56.100 -0.050 0.000 1.006 468 R CB -0.135 30.146 30.300 -0.031 0.000 0.885 468 R HN 0.403 nan 8.270 nan 0.000 0.467 469 H N -1.489 117.374 119.070 -0.344 0.000 2.551 469 H HA 0.033 4.586 4.556 -0.005 0.000 0.266 469 H C 0.322 175.411 175.328 -0.399 0.000 0.964 469 H CA 0.196 56.032 56.048 -0.354 0.000 1.180 469 H CB -0.064 29.405 29.762 -0.488 0.000 1.408 469 H HN 0.097 nan 8.280 nan 0.000 0.563 470 H N 1.757 120.375 119.070 -0.753 0.000 3.034 470 H HA -0.056 4.496 4.556 -0.007 0.000 0.324 470 H C -1.628 173.319 175.328 -0.635 0.000 1.015 470 H CA -1.333 53.932 56.048 -1.306 0.000 1.429 470 H CB 1.165 30.108 29.762 -1.365 0.000 1.429 470 H HN 0.127 nan 8.280 nan 0.000 0.585 471 P HA -0.203 nan 4.420 nan 0.000 0.218 471 P C 1.138 178.360 177.300 -0.130 0.000 1.154 471 P CA 1.815 64.718 63.100 -0.328 0.000 0.872 471 P CB 0.167 31.654 31.700 -0.356 0.000 0.790 472 Q N -1.348 118.513 119.800 0.102 0.000 2.436 472 Q HA -0.053 4.281 4.340 -0.010 0.000 0.209 472 Q C 1.762 177.695 176.000 -0.113 0.000 0.965 472 Q CA 0.726 56.553 55.803 0.040 0.000 0.910 472 Q CB -0.191 28.618 28.738 0.119 0.000 0.980 472 Q HN 0.199 nan 8.270 nan 0.000 0.491 473 V N 0.032 119.883 119.914 -0.105 0.000 2.492 473 V HA -0.138 3.976 4.120 -0.010 0.000 0.241 473 V C 1.993 178.013 176.094 -0.123 0.000 1.041 473 V CA 0.801 62.999 62.300 -0.171 0.000 1.057 473 V CB -0.299 31.462 31.823 -0.103 0.000 0.711 473 V HN 0.305 nan 8.190 nan 0.000 0.468 474 L N 1.317 122.454 121.223 -0.143 0.000 2.081 474 L HA -0.176 4.158 4.340 -0.010 0.000 0.212 474 L C 2.221 179.019 176.870 -0.119 0.000 1.080 474 L CA 2.061 56.810 54.840 -0.151 0.000 0.754 474 L CB -0.603 41.341 42.059 -0.192 0.000 0.893 474 L HN 0.558 nan 8.230 nan 0.000 0.433 475 S N -1.801 113.831 115.700 -0.113 0.000 2.660 475 S HA 0.220 4.684 4.470 -0.010 0.000 0.227 475 S C 0.630 175.181 174.600 -0.081 0.000 0.948 475 S CA -0.421 57.723 58.200 -0.094 0.000 0.948 475 S CB -0.280 62.862 63.200 -0.097 0.000 0.779 475 S HN 0.174 nan 8.310 nan 0.000 0.487 476 M N 2.335 121.894 119.600 -0.070 0.000 2.238 476 M HA 0.191 4.665 4.480 -0.010 0.000 0.350 476 M C -0.299 175.993 176.300 -0.014 0.000 1.321 476 M CA 0.534 55.793 55.300 -0.067 0.000 1.097 476 M CB 0.384 32.978 32.600 -0.009 0.000 1.713 476 M HN 0.080 nan 8.290 nan 0.000 0.455 477 K N 3.944 124.310 120.400 -0.057 0.000 2.334 477 K HA 0.439 4.753 4.320 -0.010 0.000 0.265 477 K C -1.219 175.307 176.600 -0.123 0.000 1.039 477 K CA -0.229 56.039 56.287 -0.031 0.000 0.920 477 K CB 0.774 33.254 32.500 -0.033 0.000 1.160 477 K HN 0.339 nan 8.250 nan 0.000 0.451 478 F N 1.778 121.635 119.950 -0.156 0.000 2.371 478 F HA 0.240 4.760 4.527 -0.011 0.000 0.329 478 F C 1.013 176.690 175.800 -0.204 0.000 1.107 478 F CA -0.537 57.273 58.000 -0.318 0.000 1.137 478 F CB 0.842 39.613 39.000 -0.383 0.000 1.214 478 F HN 0.199 nan 8.300 nan 0.000 0.536 479 K N 0.994 121.374 120.400 -0.033 0.000 2.382 479 K HA 0.135 4.449 4.320 -0.010 0.000 0.275 479 K C -0.149 176.443 176.600 -0.013 0.000 1.009 479 K CA -0.102 56.166 56.287 -0.032 0.000 0.970 479 K CB 0.392 32.859 32.500 -0.054 0.000 0.934 479 K HN 0.571 nan 8.250 nan 0.000 0.479 480 T N 1.714 116.259 114.554 -0.015 0.000 2.902 480 T HA 0.199 4.544 4.350 -0.010 0.000 0.301 480 T C 1.219 175.904 174.700 -0.026 0.000 1.012 480 T CA 0.970 63.059 62.100 -0.018 0.000 1.151 480 T CB 0.673 69.532 68.868 -0.014 0.000 0.946 480 T HN 0.881 nan 8.240 nan 0.000 0.542 481 G N 2.231 111.011 108.800 -0.033 0.000 2.391 481 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.204 481 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.204 481 G C 0.162 175.033 174.900 -0.048 0.000 1.012 481 G CA -0.384 44.695 45.100 -0.034 0.000 0.651 481 G HN 0.770 nan 8.290 nan 0.000 0.494 482 V N 3.754 123.629 119.914 -0.065 0.000 2.425 482 V HA 0.245 4.359 4.120 -0.010 0.000 0.276 482 V C 1.042 177.055 176.094 -0.136 0.000 1.017 482 V CA 0.286 62.525 62.300 -0.102 0.000 1.062 482 V CB 0.654 32.405 31.823 -0.120 0.000 0.997 482 V HN 0.402 nan 8.190 nan 0.000 0.476 483 K N 4.630 124.968 120.400 -0.103 0.000 2.380 483 K HA 0.151 4.466 4.320 -0.010 0.000 0.267 483 K C 1.287 177.809 176.600 -0.130 0.000 0.990 483 K CA -0.285 55.952 56.287 -0.083 0.000 0.946 483 K CB 0.757 33.240 32.500 -0.028 0.000 0.937 483 K HN 0.480 nan 8.250 nan 0.000 0.491 484 R N 1.124 121.567 120.500 -0.095 0.000 2.103 484 R HA -0.235 4.099 4.340 -0.010 0.000 0.242 484 R C 2.173 178.428 176.300 -0.075 0.000 1.142 484 R CA 1.802 57.839 56.100 -0.105 0.000 0.960 484 R CB -0.458 29.813 30.300 -0.047 0.000 0.858 484 R HN 0.743 nan 8.270 nan 0.000 0.439 485 A N 1.276 124.106 122.820 0.018 0.000 1.930 485 A HA -0.164 4.150 4.320 -0.010 0.000 0.217 485 A C 1.850 179.420 177.584 -0.024 0.000 1.175 485 A CA 1.216 53.305 52.037 0.088 0.000 0.627 485 A CB -0.237 18.942 19.000 0.298 0.000 0.815 485 A HN 0.331 nan 8.150 nan 0.000 0.443 486 E N -0.279 119.880 120.200 -0.069 0.000 2.150 486 E HA -0.106 4.238 4.350 -0.010 0.000 0.193 486 E C 1.760 178.245 176.600 -0.191 0.000 0.985 486 E CA 0.960 57.300 56.400 -0.100 0.000 0.814 486 E CB -0.227 29.413 29.700 -0.101 0.000 0.752 486 E HN 0.698 nan 8.360 nan 0.000 0.466 487 I N 0.643 120.998 120.570 -0.357 0.000 2.233 487 I HA -0.224 3.940 4.170 -0.010 0.000 0.243 487 I C 2.364 178.314 176.117 -0.278 0.000 1.093 487 I CA 0.650 61.544 61.300 -0.676 0.000 1.380 487 I CB -0.167 37.314 38.000 -0.866 0.000 1.067 487 I HN 0.006 nan 8.210 nan 0.000 0.413 488 S N 1.124 116.740 115.700 -0.140 0.000 2.365 488 S HA -0.184 4.280 4.470 -0.010 0.000 0.225 488 S C 1.742 176.358 174.600 0.027 0.000 1.039 488 S CA 1.591 59.778 58.200 -0.021 0.000 1.033 488 S CB -0.387 62.828 63.200 0.025 0.000 0.887 488 S HN 0.445 nan 8.310 nan 0.000 0.447 489 N N 1.784 120.490 118.700 0.012 0.000 2.188 489 N HA 0.016 4.750 4.740 -0.010 0.000 0.184 489 N C 1.799 177.406 175.510 0.161 0.000 1.018 489 N CA 1.231 54.311 53.050 0.049 0.000 0.858 489 N CB -0.678 37.814 38.487 0.009 0.000 0.989 489 N HN 0.417 nan 8.380 nan 0.000 0.426 490 A N 1.312 124.267 122.820 0.224 0.000 1.902 490 A HA -0.035 4.280 4.320 -0.010 0.000 0.217 490 A C 2.309 180.270 177.584 0.628 0.000 1.181 490 A CA 0.853 53.212 52.037 0.538 0.000 0.623 490 A CB -0.585 18.696 19.000 0.468 0.000 0.818 490 A HN 0.194 nan 8.150 nan 0.000 0.443 491 I N -0.506 120.304 120.570 0.401 0.000 2.315 491 I HA -0.219 3.945 4.170 -0.010 0.000 0.248 491 I C 2.260 178.537 176.117 0.265 0.000 1.117 491 I CA 1.941 63.447 61.300 0.344 0.000 1.404 491 I CB -0.454 37.669 38.000 0.205 0.000 1.071 491 I HN 0.451 nan 8.210 nan 0.000 0.419 492 D N 0.571 121.070 120.400 0.166 0.000 2.117 492 D HA -0.234 4.400 4.640 -0.010 0.000 0.197 492 D C 2.224 178.523 176.300 -0.001 0.000 0.987 492 D CA 1.311 55.346 54.000 0.058 0.000 0.829 492 D CB 0.115 40.928 40.800 0.023 0.000 0.961 492 D HN 0.251 nan 8.370 nan 0.000 0.460 493 Q N -1.312 118.529 119.800 0.068 0.000 2.170 493 Q HA -0.186 4.148 4.340 -0.010 0.000 0.203 493 Q C 1.660 177.618 176.000 -0.068 0.000 0.976 493 Q CA 1.213 57.003 55.803 -0.022 0.000 0.858 493 Q CB -0.177 28.569 28.738 0.013 0.000 0.907 493 Q HN 0.511 nan 8.270 nan 0.000 0.433 494 Y N 0.383 120.649 120.300 -0.056 0.000 2.109 494 Y HA -0.226 4.316 4.550 -0.012 0.000 0.285 494 Y C 2.117 177.942 175.900 -0.125 0.000 1.131 494 Y CA 1.628 59.667 58.100 -0.100 0.000 1.121 494 Y CB -0.329 38.221 38.460 0.151 0.000 0.987 494 Y HN 0.029 nan 8.280 nan 0.000 0.495 495 V N -1.625 118.326 119.914 0.061 0.000 2.626 495 V HA -0.142 3.972 4.120 -0.010 0.000 0.252 495 V C 1.926 177.939 176.094 -0.135 0.000 1.067 495 V CA 2.225 64.497 62.300 -0.047 0.000 1.081 495 V CB -1.656 30.247 31.823 0.132 0.000 0.686 495 V HN 0.628 nan 8.190 nan 0.000 0.468 496 T N -2.690 111.684 114.554 -0.301 0.000 3.100 496 T HA 0.343 4.687 4.350 -0.010 0.000 0.253 496 T C 1.588 176.150 174.700 -0.229 0.000 1.118 496 T CA 0.696 62.521 62.100 -0.459 0.000 1.058 496 T CB -0.195 68.267 68.868 -0.677 0.000 0.953 496 T HN 1.789 nan 8.240 nan 0.000 0.515 497 G N 1.839 110.495 108.800 -0.240 0.000 2.289 497 G HA2 -0.221 3.733 3.960 -0.010 0.000 0.280 497 G HA3 -0.221 3.733 3.960 -0.010 0.000 0.280 497 G C 0.375 175.153 174.900 -0.203 0.000 1.089 497 G CA 0.410 45.369 45.100 -0.235 0.000 0.939 497 G HN 1.169 nan 8.290 nan 0.000 0.499 498 T N -2.706 111.720 114.554 -0.214 0.000 3.339 498 T HA 0.480 4.824 4.350 -0.010 0.000 0.292 498 T C 1.955 176.542 174.700 -0.189 0.000 1.012 498 T CA 0.313 62.311 62.100 -0.170 0.000 0.937 498 T CB 0.031 68.818 68.868 -0.134 0.000 1.164 498 T HN 0.295 nan 8.240 nan 0.000 0.509 499 I N 1.823 122.214 120.570 -0.299 0.000 2.286 499 I HA 0.174 4.338 4.170 -0.010 0.000 0.248 499 I C 1.781 177.770 176.117 -0.213 0.000 1.115 499 I CA 1.393 62.460 61.300 -0.390 0.000 1.392 499 I CB -0.809 36.720 38.000 -0.786 0.000 1.065 499 I HN 0.743 nan 8.210 nan 0.000 0.418 500 G N 0.780 109.473 108.800 -0.177 0.000 2.631 500 G HA2 -0.111 3.843 3.960 -0.010 0.000 0.504 500 G HA3 -0.111 3.843 3.960 -0.010 0.000 0.504 500 G C -0.548 174.296 174.900 -0.092 0.000 1.306 500 G CA -0.694 44.344 45.100 -0.104 0.000 0.897 500 G HN 0.138 nan 8.290 nan 0.000 0.520 501 E N -0.111 120.057 120.200 -0.053 0.000 2.518 501 E HA 0.498 4.842 4.350 -0.010 0.000 0.241 501 E C 0.905 177.499 176.600 -0.011 0.000 0.899 501 E CA 0.070 56.447 56.400 -0.038 0.000 0.888 501 E CB 0.242 29.920 29.700 -0.037 0.000 1.426 501 E HN 0.650 nan 8.360 nan 0.000 0.401 502 D N 0.647 121.044 120.400 -0.005 0.000 3.987 502 D HA -0.274 4.360 4.640 -0.010 0.000 0.190 502 D C 1.261 177.574 176.300 0.022 0.000 0.743 502 D CA 1.653 55.657 54.000 0.007 0.000 0.901 502 D CB -0.543 40.258 40.800 0.003 0.000 0.412 502 D HN 0.426 nan 8.370 nan 0.000 0.349 503 E N 1.106 121.320 120.200 0.024 0.000 2.058 503 E HA -0.145 4.199 4.350 -0.010 0.000 0.194 503 E C 1.720 178.354 176.600 0.057 0.000 0.997 503 E CA 1.327 57.749 56.400 0.037 0.000 0.801 503 E CB -0.476 29.242 29.700 0.029 0.000 0.746 503 E HN 0.389 nan 8.360 nan 0.000 0.450 504 D N 0.821 121.248 120.400 0.046 0.000 2.177 504 D HA -0.217 4.417 4.640 -0.010 0.000 0.189 504 D C 2.137 178.506 176.300 0.115 0.000 1.002 504 D CA 0.969 55.008 54.000 0.064 0.000 0.845 504 D CB -0.580 40.233 40.800 0.022 0.000 0.960 504 D HN 0.111 nan 8.370 nan 0.000 0.447 505 L N 1.077 122.347 121.223 0.078 0.000 2.081 505 L HA -0.160 4.174 4.340 -0.010 0.000 0.212 505 L C 2.260 179.263 176.870 0.222 0.000 1.080 505 L CA 1.315 56.231 54.840 0.128 0.000 0.754 505 L CB -0.538 41.547 42.059 0.042 0.000 0.893 505 L HN 0.068 nan 8.230 nan 0.000 0.433 506 I N -0.688 119.967 120.570 0.142 0.000 2.142 506 I HA -0.349 3.815 4.170 -0.010 0.000 0.240 506 I C 2.480 178.689 176.117 0.153 0.000 1.078 506 I CA 1.607 62.983 61.300 0.127 0.000 1.343 506 I CB -0.429 37.617 38.000 0.077 0.000 1.046 506 I HN 0.244 nan 8.210 nan 0.000 0.405 507 K N -0.212 120.278 120.400 0.150 0.000 2.103 507 K HA -0.263 4.051 4.320 -0.010 0.000 0.207 507 K C 1.922 178.649 176.600 0.211 0.000 1.048 507 K CA 2.031 58.405 56.287 0.144 0.000 0.930 507 K CB -0.320 32.255 32.500 0.125 0.000 0.716 507 K HN 0.380 nan 8.250 nan 0.000 0.444 508 W N 1.964 123.319 121.300 0.091 0.000 2.379 508 W HA -0.142 4.511 4.660 -0.012 0.000 0.307 508 W C 1.614 178.281 176.519 0.247 0.000 1.200 508 W CA 1.366 58.807 57.345 0.160 0.000 1.297 508 W CB 0.043 29.594 29.460 0.152 0.000 1.140 508 W HN -0.146 nan 8.180 nan 0.000 0.507 509 K N 0.022 120.650 120.400 0.380 0.000 2.113 509 K HA -0.190 4.124 4.320 -0.010 0.000 0.208 509 K C 2.128 178.769 176.600 0.067 0.000 1.047 509 K CA 1.564 57.934 56.287 0.137 0.000 0.928 509 K CB -0.627 31.978 32.500 0.175 0.000 0.716 509 K HN 0.209 nan 8.250 nan 0.000 0.446 510 A N 0.962 123.818 122.820 0.060 0.000 2.125 510 A HA -0.092 4.222 4.320 -0.010 0.000 0.219 510 A C 1.866 179.418 177.584 -0.054 0.000 1.156 510 A CA 1.030 53.074 52.037 0.012 0.000 0.671 510 A CB -0.502 18.513 19.000 0.024 0.000 0.794 510 A HN 0.191 nan 8.150 nan 0.000 0.459 511 L N -1.722 119.415 121.223 -0.144 0.000 2.376 511 L HA 0.056 4.390 4.340 -0.010 0.000 0.219 511 L C 0.163 176.712 176.870 -0.535 0.000 1.133 511 L CA -0.024 54.627 54.840 -0.314 0.000 0.816 511 L CB -0.284 41.510 42.059 -0.441 0.000 0.933 511 L HN 0.297 nan 8.230 nan 0.000 0.449 512 F N -0.824 118.889 119.950 -0.396 0.000 2.403 512 F HA 0.163 4.683 4.527 -0.011 0.000 0.326 512 F C 1.476 177.119 175.800 -0.261 0.000 1.081 512 F CA -0.505 57.223 58.000 -0.453 0.000 1.041 512 F CB 1.011 39.640 39.000 -0.617 0.000 1.234 512 F HN -0.272 nan 8.300 nan 0.000 0.503 513 E N -0.106 120.070 120.200 -0.039 0.000 2.216 513 E HA 0.011 4.355 4.350 -0.010 0.000 0.192 513 E C -0.412 176.167 176.600 -0.036 0.000 0.973 513 E CA 0.640 57.017 56.400 -0.038 0.000 0.851 513 E CB 0.387 30.062 29.700 -0.041 0.000 0.804 513 E HN 0.512 nan 8.360 nan 0.000 0.477 514 E N -0.219 119.955 120.200 -0.043 0.000 2.343 514 E HA 0.207 4.551 4.350 -0.010 0.000 0.260 514 E C -1.663 174.814 176.600 -0.205 0.000 0.908 514 E CA -0.388 55.955 56.400 -0.094 0.000 0.814 514 E CB 1.771 31.414 29.700 -0.094 0.000 1.302 514 E HN -0.116 nan 8.360 nan 0.000 0.408 515 V N 6.831 126.608 119.914 -0.228 0.000 2.475 515 V HA 0.086 4.200 4.120 -0.010 0.000 0.292 515 V C -1.553 174.293 176.094 -0.414 0.000 1.003 515 V CA -0.565 61.483 62.300 -0.419 0.000 1.120 515 V CB -0.278 31.424 31.823 -0.203 0.000 0.937 515 V HN 0.606 nan 8.190 nan 0.000 0.476 516 P HA 0.287 nan 4.420 nan 0.000 0.276 516 P C -0.450 176.785 177.300 -0.109 0.000 1.252 516 P CA -0.649 62.240 63.100 -0.352 0.000 0.802 516 P CB 1.026 32.435 31.700 -0.486 0.000 1.035 517 E N 0.555 120.735 120.200 -0.033 0.000 2.259 517 E HA 0.269 4.613 4.350 -0.010 0.000 0.281 517 E C 0.034 176.698 176.600 0.106 0.000 1.027 517 E CA -0.623 55.789 56.400 0.020 0.000 0.838 517 E CB 0.659 30.354 29.700 -0.008 0.000 1.066 517 E HN 0.332 nan 8.360 nan 0.000 0.401 518 L N 2.762 124.017 121.223 0.054 0.000 2.476 518 L HA 0.170 4.504 4.340 -0.010 0.000 0.264 518 L C 0.229 176.983 176.870 -0.193 0.000 1.224 518 L CA -0.165 54.623 54.840 -0.086 0.000 0.821 518 L CB -0.014 41.924 42.059 -0.202 0.000 1.101 518 L HN 0.356 nan 8.230 nan 0.000 0.488 519 L N 0.718 121.696 121.223 -0.408 0.000 2.295 519 L HA 0.329 4.663 4.340 -0.010 0.000 0.285 519 L C 0.446 177.169 176.870 -0.246 0.000 1.035 519 L CA -0.252 54.394 54.840 -0.323 0.000 0.806 519 L CB 1.696 43.477 42.059 -0.462 0.000 1.214 519 L HN 0.604 nan 8.230 nan 0.000 0.426 520 T N 0.375 114.841 114.554 -0.146 0.000 2.828 520 T HA 0.047 4.391 4.350 -0.010 0.000 0.290 520 T C 1.227 175.878 174.700 -0.081 0.000 1.019 520 T CA -0.444 61.594 62.100 -0.103 0.000 1.031 520 T CB 0.825 69.657 68.868 -0.060 0.000 1.001 520 T HN 0.624 nan 8.240 nan 0.000 0.531 521 E N 1.560 121.725 120.200 -0.058 0.000 2.097 521 E HA -0.156 4.188 4.350 -0.010 0.000 0.196 521 E C 2.289 178.891 176.600 0.003 0.000 1.000 521 E CA 1.621 58.004 56.400 -0.028 0.000 0.804 521 E CB -0.893 28.795 29.700 -0.020 0.000 0.740 521 E HN 0.735 nan 8.360 nan 0.000 0.454 522 A N 1.447 124.269 122.820 0.003 0.000 1.865 522 A HA -0.252 4.062 4.320 -0.010 0.000 0.217 522 A C 2.098 179.714 177.584 0.053 0.000 1.191 522 A CA 1.925 53.978 52.037 0.027 0.000 0.623 522 A CB -0.603 18.409 19.000 0.019 0.000 0.826 522 A HN 0.273 nan 8.150 nan 0.000 0.444 523 E N -0.248 119.974 120.200 0.036 0.000 2.077 523 E HA -0.199 4.145 4.350 -0.010 0.000 0.193 523 E C 2.127 178.795 176.600 0.114 0.000 0.989 523 E CA 1.456 57.898 56.400 0.070 0.000 0.800 523 E CB -0.157 29.546 29.700 0.006 0.000 0.746 523 E HN 0.597 nan 8.360 nan 0.000 0.452 524 K N 0.625 121.053 120.400 0.047 0.000 2.025 524 K HA -0.140 4.174 4.320 -0.010 0.000 0.207 524 K C 2.576 179.302 176.600 0.211 0.000 1.049 524 K CA 1.682 58.028 56.287 0.098 0.000 0.933 524 K CB -0.199 32.313 32.500 0.020 0.000 0.714 524 K HN 0.014 nan 8.250 nan 0.000 0.438 525 K N 1.274 121.760 120.400 0.142 0.000 2.097 525 K HA -0.176 4.139 4.320 -0.010 0.000 0.206 525 K C 2.232 178.931 176.600 0.165 0.000 1.049 525 K CA 2.086 58.456 56.287 0.138 0.000 0.933 525 K CB -1.540 31.009 32.500 0.082 0.000 0.717 525 K HN 0.464 nan 8.250 nan 0.000 0.442 526 E N -0.096 120.208 120.200 0.173 0.000 2.085 526 E HA -0.194 4.150 4.350 -0.010 0.000 0.194 526 E C 1.892 178.637 176.600 0.241 0.000 0.994 526 E CA 1.430 57.934 56.400 0.174 0.000 0.801 526 E CB -0.971 28.831 29.700 0.170 0.000 0.743 526 E HN 0.788 nan 8.360 nan 0.000 0.453 527 W N 0.483 121.874 121.300 0.152 0.000 2.381 527 W HA -0.119 4.557 4.660 0.026 0.000 0.301 527 W C 2.006 178.753 176.519 0.380 0.000 1.205 527 W CA 1.670 59.145 57.345 0.216 0.000 1.285 527 W CB -0.151 29.418 29.460 0.181 0.000 1.133 527 W HN 0.245 nan 8.180 nan 0.000 0.521 528 V N 1.250 121.406 119.914 0.403 0.000 2.343 528 V HA -0.293 3.821 4.120 -0.010 0.000 0.247 528 V C 2.034 178.201 176.094 0.121 0.000 1.051 528 V CA 2.288 64.797 62.300 0.348 0.000 1.036 528 V CB -0.887 31.085 31.823 0.249 0.000 0.654 528 V HN 0.081 nan 8.190 nan 0.000 0.451 529 E N 0.258 120.510 120.200 0.086 0.000 2.273 529 E HA -0.217 4.127 4.350 -0.010 0.000 0.198 529 E C 2.244 178.813 176.600 -0.052 0.000 1.002 529 E CA 1.554 57.960 56.400 0.010 0.000 0.828 529 E CB -0.206 29.509 29.700 0.026 0.000 0.747 529 E HN 0.692 nan 8.360 nan 0.000 0.491 530 K N 0.479 120.844 120.400 -0.058 0.000 2.525 530 K HA 0.057 4.371 4.320 -0.010 0.000 0.192 530 K C 0.619 177.053 176.600 -0.276 0.000 1.029 530 K CA 0.324 56.531 56.287 -0.133 0.000 1.029 530 K CB -0.391 31.974 32.500 -0.225 0.000 0.814 530 K HN 0.036 nan 8.250 nan 0.000 0.503 531 L N 2.423 123.370 121.223 -0.459 0.000 2.281 531 L HA 0.449 4.783 4.340 -0.010 0.000 0.285 531 L C 0.161 176.754 176.870 -0.462 0.000 1.074 531 L CA 0.234 54.536 54.840 -0.896 0.000 0.817 531 L CB 1.133 42.546 42.059 -1.077 0.000 1.168 531 L HN 0.409 nan 8.230 nan 0.000 0.434 532 T N 0.595 114.905 114.554 -0.405 0.000 2.864 532 T HA 0.497 4.841 4.350 -0.010 0.000 0.289 532 T C -0.229 174.366 174.700 -0.175 0.000 1.082 532 T CA -0.606 61.352 62.100 -0.237 0.000 1.009 532 T CB 1.386 70.150 68.868 -0.173 0.000 1.234 532 T HN 0.610 nan 8.240 nan 0.000 0.526 533 E N -0.567 119.557 120.200 -0.128 0.000 2.389 533 E HA -0.120 4.224 4.350 -0.010 0.000 0.243 533 E C -0.669 175.958 176.600 0.044 0.000 1.154 533 E CA 0.213 56.607 56.400 -0.011 0.000 0.723 533 E CB -1.715 28.029 29.700 0.074 0.000 1.261 533 E HN 0.529 nan 8.360 nan 0.000 0.390 534 V N 1.008 120.900 119.914 -0.037 0.000 2.481 534 V HA 0.257 4.372 4.120 -0.010 0.000 0.286 534 V C 0.667 176.784 176.094 0.038 0.000 1.042 534 V CA -0.352 61.952 62.300 0.006 0.000 0.928 534 V CB 1.976 33.807 31.823 0.014 0.000 0.986 534 V HN 0.130 nan 8.190 nan 0.000 0.462 535 S N 4.697 120.428 115.700 0.052 0.000 2.565 535 S HA 0.739 5.203 4.470 -0.010 0.000 0.290 535 S C -0.426 174.113 174.600 -0.101 0.000 1.150 535 S CA -0.427 57.790 58.200 0.029 0.000 1.058 535 S CB 1.266 64.469 63.200 0.005 0.000 1.032 535 S HN 0.523 nan 8.310 nan 0.000 0.510 536 I N 1.413 121.896 120.570 -0.144 0.000 2.730 536 I HA 0.486 4.650 4.170 -0.010 0.000 0.298 536 I C -0.471 175.607 176.117 -0.064 0.000 1.089 536 I CA -0.400 60.756 61.300 -0.241 0.000 1.041 536 I CB 2.303 40.053 38.000 -0.417 0.000 1.235 536 I HN 0.532 nan 8.210 nan 0.000 0.423 537 S N 3.343 119.026 115.700 -0.028 0.000 2.557 537 S HA 0.516 4.980 4.470 -0.010 0.000 0.291 537 S C -1.074 173.541 174.600 0.025 0.000 1.116 537 S CA -0.369 57.850 58.200 0.031 0.000 0.992 537 S CB 1.682 64.910 63.200 0.048 0.000 1.028 537 S HN 0.576 nan 8.310 nan 0.000 0.484 538 S N 2.143 117.832 115.700 -0.018 0.000 2.472 538 S HA 0.343 4.808 4.470 -0.010 0.000 0.303 538 S C 0.539 175.058 174.600 -0.136 0.000 1.099 538 S CA -0.647 57.494 58.200 -0.098 0.000 1.077 538 S CB 0.959 63.921 63.200 -0.397 0.000 1.031 538 S HN 0.858 nan 8.310 nan 0.000 0.487 539 D N 3.019 123.363 120.400 -0.092 0.000 2.363 539 D HA 0.266 4.901 4.640 -0.010 0.000 0.226 539 D C 0.353 176.478 176.300 -0.290 0.000 1.020 539 D CA 0.289 54.214 54.000 -0.126 0.000 0.892 539 D CB -0.004 40.786 40.800 -0.017 0.000 0.900 539 D HN 0.504 nan 8.370 nan 0.000 0.531 540 A N -0.514 122.111 122.820 -0.326 0.000 2.602 540 A HA 0.558 4.872 4.320 -0.010 0.000 0.290 540 A C -0.758 176.546 177.584 -0.467 0.000 1.114 540 A CA -1.108 50.636 52.037 -0.487 0.000 0.683 540 A CB 0.395 19.052 19.000 -0.570 0.000 1.281 540 A HN 0.137 nan 8.150 nan 0.000 0.416 541 F N -0.779 118.978 119.950 -0.322 0.000 2.440 541 F HA 0.719 5.240 4.527 -0.011 0.000 0.323 541 F C -0.668 174.988 175.800 -0.241 0.000 1.192 541 F CA -1.135 56.661 58.000 -0.339 0.000 1.252 541 F CB -0.153 38.713 39.000 -0.222 0.000 1.214 541 F HN 0.249 nan 8.300 nan 0.000 0.578 542 F N 1.966 122.158 119.950 0.404 0.000 2.421 542 F HA 0.374 4.895 4.527 -0.010 0.000 0.358 542 F C -1.708 174.312 175.800 0.366 0.000 1.115 542 F CA -2.296 55.885 58.000 0.302 0.000 1.160 542 F CB 0.706 39.833 39.000 0.211 0.000 1.123 542 F HN 0.306 nan 8.300 nan 0.000 0.508 543 P HA 0.001 nan 4.420 nan 0.000 0.224 543 P C -0.650 176.567 177.300 -0.138 0.000 1.157 543 P CA 1.201 64.472 63.100 0.285 0.000 0.799 543 P CB 0.337 32.297 31.700 0.434 0.000 0.809 544 F N -2.102 117.960 119.950 0.186 0.000 2.626 544 F HA 0.355 4.876 4.527 -0.011 0.000 0.311 544 F C 1.355 177.193 175.800 0.063 0.000 1.088 544 F CA -1.079 56.982 58.000 0.101 0.000 0.949 544 F CB 0.989 40.027 39.000 0.064 0.000 1.322 544 F HN -0.387 nan 8.300 nan 0.000 0.461 545 R N -0.614 120.001 120.500 0.192 0.000 2.323 545 R HA 0.009 4.343 4.340 -0.010 0.000 0.198 545 R C 0.459 176.756 176.300 -0.005 0.000 0.988 545 R CA 1.181 57.309 56.100 0.048 0.000 1.041 545 R CB -0.609 29.707 30.300 0.027 0.000 0.926 545 R HN 0.596 nan 8.270 nan 0.000 0.476 546 D N 0.898 121.330 120.400 0.054 0.000 2.265 546 D HA -0.203 4.431 4.640 -0.010 0.000 0.208 546 D C 0.981 177.250 176.300 -0.051 0.000 0.977 546 D CA 0.908 54.910 54.000 0.002 0.000 0.871 546 D CB -0.402 40.401 40.800 0.004 0.000 0.925 546 D HN 0.244 nan 8.370 nan 0.000 0.485 547 N N 0.517 119.153 118.700 -0.106 0.000 2.084 547 N HA -0.104 4.630 4.740 -0.010 0.000 0.190 547 N C 2.030 177.346 175.510 -0.323 0.000 1.030 547 N CA 1.448 54.357 53.050 -0.235 0.000 0.849 547 N CB -0.198 37.979 38.487 -0.518 0.000 1.012 547 N HN 0.197 nan 8.380 nan 0.000 0.423 548 V N 2.256 121.934 119.914 -0.394 0.000 2.343 548 V HA -0.185 3.929 4.120 -0.010 0.000 0.247 548 V C 1.794 177.800 176.094 -0.148 0.000 1.051 548 V CA 1.611 63.736 62.300 -0.291 0.000 1.036 548 V CB -0.557 31.125 31.823 -0.236 0.000 0.654 548 V HN 0.162 nan 8.190 nan 0.000 0.451 549 D N 0.144 120.483 120.400 -0.102 0.000 2.123 549 D HA -0.199 4.435 4.640 -0.010 0.000 0.196 549 D C 2.328 178.605 176.300 -0.038 0.000 0.992 549 D CA 1.528 55.493 54.000 -0.057 0.000 0.833 549 D CB -0.247 40.533 40.800 -0.034 0.000 0.954 549 D HN 0.286 nan 8.370 nan 0.000 0.455 550 R N 1.256 121.738 120.500 -0.030 0.000 2.115 550 R HA 0.038 4.372 4.340 -0.010 0.000 0.226 550 R C 1.910 178.235 176.300 0.041 0.000 1.100 550 R CA 1.482 57.587 56.100 0.010 0.000 0.980 550 R CB -0.683 29.635 30.300 0.031 0.000 0.875 550 R HN 0.060 nan 8.270 nan 0.000 0.445 551 A N 0.935 123.761 122.820 0.010 0.000 1.858 551 A HA -0.190 4.124 4.320 -0.010 0.000 0.216 551 A C 2.064 179.664 177.584 0.027 0.000 1.190 551 A CA 1.955 54.016 52.037 0.040 0.000 0.617 551 A CB -0.691 18.242 19.000 -0.112 0.000 0.827 551 A HN 0.321 nan 8.150 nan 0.000 0.443 552 K N -0.008 120.370 120.400 -0.037 0.000 2.089 552 K HA -0.190 4.124 4.320 -0.010 0.000 0.210 552 K C 2.000 178.583 176.600 -0.028 0.000 1.048 552 K CA 2.033 58.289 56.287 -0.051 0.000 0.926 552 K CB -0.384 32.079 32.500 -0.061 0.000 0.714 552 K HN 0.387 nan 8.250 nan 0.000 0.448 553 R N -0.636 119.859 120.500 -0.007 0.000 2.303 553 R HA 0.032 4.366 4.340 -0.010 0.000 0.225 553 R C 0.456 176.759 176.300 0.004 0.000 1.114 553 R CA 1.232 57.332 56.100 -0.001 0.000 1.007 553 R CB -0.014 30.290 30.300 0.006 0.000 0.861 553 R HN 0.024 nan 8.270 nan 0.000 0.471 554 S N -1.163 114.551 115.700 0.023 0.000 2.711 554 S HA 0.241 4.705 4.470 -0.010 0.000 0.247 554 S C 0.256 174.852 174.600 -0.006 0.000 1.079 554 S CA 0.236 58.449 58.200 0.021 0.000 1.050 554 S CB 1.529 64.758 63.200 0.050 0.000 0.885 554 S HN 0.569 nan 8.310 nan 0.000 0.498 555 G N 1.040 109.803 108.800 -0.061 0.000 2.153 555 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.252 555 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.252 555 G C 0.140 174.974 174.900 -0.111 0.000 0.994 555 G CA 0.170 45.198 45.100 -0.120 0.000 0.698 555 G HN 0.489 nan 8.290 nan 0.000 0.521 556 V N 0.242 120.113 119.914 -0.072 0.000 2.479 556 V HA 0.499 4.613 4.120 -0.010 0.000 0.281 556 V C 1.268 177.224 176.094 -0.229 0.000 1.031 556 V CA 1.095 63.322 62.300 -0.121 0.000 1.038 556 V CB 1.167 32.921 31.823 -0.115 0.000 0.981 556 V HN 0.932 nan 8.190 nan 0.000 0.478 557 A N 4.711 127.298 122.820 -0.389 0.000 2.312 557 A HA 0.430 4.744 4.320 -0.010 0.000 0.215 557 A C 0.131 177.178 177.584 -0.895 0.000 1.256 557 A CA 0.155 51.768 52.037 -0.708 0.000 0.966 557 A CB 0.472 18.863 19.000 -1.014 0.000 1.053 557 A HN 0.701 nan 8.150 nan 0.000 0.510 558 Y N -0.736 119.512 120.300 -0.088 0.000 2.421 558 Y HA 0.725 5.265 4.550 -0.017 0.000 0.339 558 Y C -0.500 175.349 175.900 -0.086 0.000 0.996 558 Y CA -0.913 57.136 58.100 -0.086 0.000 1.046 558 Y CB 1.440 39.838 38.460 -0.103 0.000 1.226 558 Y HN -0.013 nan 8.280 nan 0.000 0.445 559 I N 2.485 123.111 120.570 0.092 0.000 2.647 559 I HA 0.834 4.998 4.170 -0.010 0.000 0.295 559 I C -0.803 175.395 176.117 0.135 0.000 1.078 559 I CA -1.079 60.275 61.300 0.090 0.000 1.048 559 I CB 2.260 40.329 38.000 0.114 0.000 1.239 559 I HN 0.766 nan 8.210 nan 0.000 0.421 560 A N 4.574 127.484 122.820 0.151 0.000 2.356 560 A HA 0.990 5.304 4.320 -0.010 0.000 0.310 560 A C -1.019 176.650 177.584 0.142 0.000 1.075 560 A CA -0.424 51.738 52.037 0.208 0.000 0.746 560 A CB 1.691 20.883 19.000 0.320 0.000 1.221 560 A HN 0.938 nan 8.150 nan 0.000 0.443 561 A N 2.921 125.817 122.820 0.126 0.000 2.594 561 A HA 0.804 5.118 4.320 -0.010 0.000 0.296 561 A C -3.368 174.212 177.584 -0.006 0.000 1.056 561 A CA -1.174 50.834 52.037 -0.049 0.000 0.693 561 A CB 0.951 19.759 19.000 -0.319 0.000 1.278 561 A HN 0.484 nan 8.150 nan 0.000 0.408 562 P HA 0.266 nan 4.420 nan 0.000 0.269 562 P C 0.290 177.445 177.300 -0.241 0.000 1.215 562 P CA 0.197 63.213 63.100 -0.139 0.000 0.780 562 P CB 0.898 32.512 31.700 -0.144 0.000 0.898 563 S N 0.841 116.273 115.700 -0.446 0.000 2.694 563 S HA 0.697 5.162 4.470 -0.010 0.000 0.278 563 S C 0.971 175.328 174.600 -0.405 0.000 1.152 563 S CA 0.167 57.894 58.200 -0.789 0.000 1.010 563 S CB 0.770 63.471 63.200 -0.832 0.000 1.104 563 S HN 0.779 nan 8.310 nan 0.000 0.547 564 G N -0.717 107.759 108.800 -0.539 0.000 2.485 564 G HA2 -0.093 3.861 3.960 -0.010 0.000 0.181 564 G HA3 -0.093 3.861 3.960 -0.010 0.000 0.181 564 G C 0.113 174.355 174.900 -1.097 0.000 0.999 564 G CA 0.114 44.859 45.100 -0.593 0.000 0.721 564 G HN 1.018 nan 8.290 nan 0.000 0.486 565 S N 0.029 114.857 115.700 -1.453 0.000 2.632 565 S HA 0.683 5.147 4.470 -0.010 0.000 0.267 565 S C 1.759 176.054 174.600 -0.508 0.000 1.276 565 S CA 0.840 58.302 58.200 -1.229 0.000 0.998 565 S CB 1.306 64.020 63.200 -0.810 0.000 0.953 565 S HN 1.383 nan 8.310 nan 0.000 0.547 566 A N 2.075 124.700 122.820 -0.324 0.000 2.067 566 A HA 0.332 4.646 4.320 -0.010 0.000 0.217 566 A C 1.850 179.334 177.584 -0.166 0.000 1.156 566 A CA 1.131 53.050 52.037 -0.197 0.000 0.683 566 A CB -0.770 18.145 19.000 -0.141 0.000 0.808 566 A HN 1.028 nan 8.150 nan 0.000 0.455 567 A N -0.526 122.184 122.820 -0.184 0.000 2.251 567 A HA 0.109 4.423 4.320 -0.010 0.000 0.209 567 A C 1.265 178.813 177.584 -0.060 0.000 1.187 567 A CA 0.710 52.672 52.037 -0.125 0.000 0.823 567 A CB -0.330 18.576 19.000 -0.155 0.000 0.846 567 A HN 0.357 nan 8.150 nan 0.000 0.486 568 D N 0.956 121.302 120.400 -0.090 0.000 2.172 568 D HA -0.223 4.411 4.640 -0.010 0.000 0.196 568 D C 2.345 178.673 176.300 0.047 0.000 0.999 568 D CA 2.113 56.118 54.000 0.009 0.000 0.856 568 D CB -0.133 40.643 40.800 -0.041 0.000 0.934 568 D HN 0.590 nan 8.370 nan 0.000 0.453 569 K N 0.935 121.333 120.400 -0.004 0.000 1.977 569 K HA -0.170 4.144 4.320 -0.010 0.000 0.218 569 K C 2.447 179.050 176.600 0.006 0.000 1.051 569 K CA 1.942 58.228 56.287 -0.002 0.000 0.953 569 K CB -1.365 31.123 32.500 -0.020 0.000 0.727 569 K HN 0.123 nan 8.250 nan 0.000 0.445 570 V N 1.150 121.064 119.914 -0.001 0.000 2.282 570 V HA -0.263 3.851 4.120 -0.010 0.000 0.249 570 V C 2.574 178.679 176.094 0.017 0.000 1.057 570 V CA 1.942 64.244 62.300 0.005 0.000 1.032 570 V CB -0.744 31.081 31.823 0.003 0.000 0.645 570 V HN 0.403 nan 8.190 nan 0.000 0.447 571 V N -0.054 119.887 119.914 0.044 0.000 2.324 571 V HA -0.303 3.811 4.120 -0.010 0.000 0.250 571 V C 2.213 178.328 176.094 0.034 0.000 1.060 571 V CA 2.442 64.783 62.300 0.069 0.000 1.042 571 V CB -0.528 31.408 31.823 0.189 0.000 0.650 571 V HN 0.469 nan 8.190 nan 0.000 0.450 572 I N 0.030 120.616 120.570 0.027 0.000 2.252 572 I HA -0.183 3.981 4.170 -0.010 0.000 0.245 572 I C 2.940 179.040 176.117 -0.028 0.000 1.102 572 I CA 1.619 62.904 61.300 -0.025 0.000 1.385 572 I CB -0.840 37.145 38.000 -0.025 0.000 1.064 572 I HN 0.471 nan 8.210 nan 0.000 0.414 573 E N 1.465 121.656 120.200 -0.015 0.000 2.038 573 E HA -0.228 4.116 4.350 -0.010 0.000 0.195 573 E C 2.347 178.932 176.600 -0.024 0.000 1.000 573 E CA 1.611 58.000 56.400 -0.018 0.000 0.803 573 E CB -1.014 28.679 29.700 -0.012 0.000 0.750 573 E HN 0.585 nan 8.360 nan 0.000 0.448 574 A N -0.043 122.764 122.820 -0.023 0.000 1.986 574 A HA -0.159 4.155 4.320 -0.010 0.000 0.220 574 A C 2.591 180.146 177.584 -0.048 0.000 1.171 574 A CA 1.754 53.771 52.037 -0.033 0.000 0.640 574 A CB -1.100 17.880 19.000 -0.034 0.000 0.811 574 A HN 0.658 nan 8.150 nan 0.000 0.451 575 C N -0.759 118.510 119.300 -0.051 0.000 2.448 575 C HA -0.017 4.438 4.460 -0.010 0.000 0.280 575 C C 2.096 177.052 174.990 -0.057 0.000 1.398 575 C CA 0.859 59.839 59.018 -0.062 0.000 1.774 575 C CB -0.950 26.753 27.740 -0.062 0.000 1.888 575 C HN 0.579 nan 8.230 nan 0.000 0.519 576 D N -0.024 120.349 120.400 -0.046 0.000 2.301 576 D HA -0.064 4.570 4.640 -0.010 0.000 0.206 576 D C 2.136 178.414 176.300 -0.038 0.000 0.979 576 D CA 0.576 54.552 54.000 -0.040 0.000 0.874 576 D CB -0.245 40.536 40.800 -0.031 0.000 0.968 576 D HN 0.630 nan 8.370 nan 0.000 0.510 577 E N 0.385 120.563 120.200 -0.036 0.000 2.046 577 E HA -0.121 4.223 4.350 -0.010 0.000 0.190 577 E C 1.209 177.785 176.600 -0.040 0.000 0.982 577 E CA 0.519 56.899 56.400 -0.033 0.000 0.800 577 E CB 0.200 29.884 29.700 -0.028 0.000 0.756 577 E HN 0.022 nan 8.360 nan 0.000 0.449 578 L N 0.715 121.908 121.223 -0.050 0.000 2.627 578 L HA 0.224 4.558 4.340 -0.010 0.000 0.232 578 L C 0.833 177.659 176.870 -0.073 0.000 1.150 578 L CA 0.946 55.751 54.840 -0.059 0.000 0.917 578 L CB -0.060 41.959 42.059 -0.066 0.000 1.104 578 L HN 0.289 nan 8.230 nan 0.000 0.445 579 G N 1.020 109.779 108.800 -0.068 0.000 2.370 579 G HA2 -0.280 3.674 3.960 -0.010 0.000 0.293 579 G HA3 -0.280 3.674 3.960 -0.010 0.000 0.293 579 G C 0.022 174.854 174.900 -0.112 0.000 0.992 579 G CA 0.308 45.361 45.100 -0.078 0.000 1.247 579 G HN 0.327 nan 8.290 nan 0.000 0.505 580 I N 0.539 121.043 120.570 -0.109 0.000 2.534 580 I HA 0.364 4.529 4.170 -0.010 0.000 0.288 580 I C 0.737 176.799 176.117 -0.092 0.000 1.077 580 I CA -1.199 60.014 61.300 -0.145 0.000 1.051 580 I CB 1.825 39.740 38.000 -0.143 0.000 1.234 580 I HN 0.034 nan 8.210 nan 0.000 0.425 581 I N 5.711 126.240 120.570 -0.069 0.000 2.692 581 I HA 0.070 4.234 4.170 -0.010 0.000 0.284 581 I C -0.540 175.589 176.117 0.021 0.000 1.159 581 I CA 0.017 61.329 61.300 0.021 0.000 1.423 581 I CB 0.865 38.958 38.000 0.154 0.000 1.380 581 I HN 0.300 nan 8.210 nan 0.000 0.580 582 L N 6.790 128.012 121.223 -0.002 0.000 2.404 582 L HA 0.616 4.950 4.340 -0.010 0.000 0.272 582 L C -0.495 176.358 176.870 -0.028 0.000 0.980 582 L CA -0.367 54.459 54.840 -0.023 0.000 0.836 582 L CB 1.324 43.319 42.059 -0.108 0.000 1.238 582 L HN 0.595 nan 8.230 nan 0.000 0.408 583 A N 4.253 127.112 122.820 0.065 0.000 2.253 583 A HA 0.489 4.803 4.320 -0.010 0.000 0.316 583 A C -0.714 176.980 177.584 0.183 0.000 1.327 583 A CA -0.310 51.803 52.037 0.127 0.000 0.917 583 A CB -0.221 18.927 19.000 0.247 0.000 1.162 583 A HN 0.866 nan 8.150 nan 0.000 0.535 584 H N 1.641 120.747 119.070 0.059 0.000 2.527 584 H HA 0.452 5.003 4.556 -0.009 0.000 0.321 584 H C 0.788 176.103 175.328 -0.022 0.000 1.087 584 H CA 0.235 56.295 56.048 0.019 0.000 1.337 584 H CB 1.340 31.107 29.762 0.008 0.000 1.440 584 H HN 0.796 nan 8.280 nan 0.000 0.490 585 T N 0.031 114.611 114.554 0.044 0.000 2.905 585 T HA 0.234 4.578 4.350 -0.010 0.000 0.283 585 T C 0.557 175.198 174.700 -0.098 0.000 1.031 585 T CA -1.044 61.018 62.100 -0.064 0.000 1.002 585 T CB 1.381 70.177 68.868 -0.119 0.000 1.200 585 T HN 0.523 nan 8.240 nan 0.000 0.560 586 N N -0.067 118.566 118.700 -0.111 0.000 2.291 586 N HA 0.224 4.959 4.740 -0.010 0.000 0.244 586 N C -1.019 174.420 175.510 -0.118 0.000 1.216 586 N CA -0.174 52.812 53.050 -0.106 0.000 0.879 586 N CB 0.654 39.088 38.487 -0.089 0.000 1.167 586 N HN 0.439 nan 8.380 nan 0.000 0.515 587 L N 1.371 122.511 121.223 -0.138 0.000 2.356 587 L HA 0.368 4.702 4.340 -0.010 0.000 0.264 587 L C 0.077 176.842 176.870 -0.174 0.000 1.029 587 L CA -0.469 54.282 54.840 -0.148 0.000 0.897 587 L CB 0.491 42.455 42.059 -0.158 0.000 1.256 587 L HN -0.122 nan 8.230 nan 0.000 0.444 588 R N 3.578 123.958 120.500 -0.200 0.000 2.490 588 R HA 0.423 4.757 4.340 -0.010 0.000 0.280 588 R C -0.563 175.576 176.300 -0.269 0.000 1.077 588 R CA -0.245 55.674 56.100 -0.302 0.000 1.065 588 R CB 0.599 30.652 30.300 -0.411 0.000 1.003 588 R HN 0.716 nan 8.270 nan 0.000 0.470 589 L N 5.486 126.540 121.223 -0.281 0.000 2.999 589 L HA 0.299 4.633 4.340 -0.010 0.000 0.263 589 L C -0.704 176.142 176.870 -0.041 0.000 1.320 589 L CA -0.543 54.194 54.840 -0.170 0.000 0.913 589 L CB 0.057 42.021 42.059 -0.159 0.000 1.296 589 L HN 0.456 nan 8.230 nan 0.000 0.546 590 F N 0.159 120.062 119.950 -0.077 0.000 2.496 590 F HA 0.251 4.771 4.527 -0.010 0.000 0.344 590 F C 0.676 176.447 175.800 -0.049 0.000 1.155 590 F CA -0.187 57.765 58.000 -0.079 0.000 1.302 590 F CB 0.251 39.239 39.000 -0.020 0.000 1.159 590 F HN 0.166 nan 8.300 nan 0.000 0.595 591 H N 2.183 121.170 119.070 -0.139 0.000 3.083 591 H HA 0.399 4.949 4.556 -0.010 0.000 0.339 591 H C -1.239 173.847 175.328 -0.404 0.000 1.020 591 H CA -0.438 55.512 56.048 -0.163 0.000 1.360 591 H CB 0.449 30.157 29.762 -0.090 0.000 1.811 591 H HN 0.550 nan 8.280 nan 0.000 0.493 592 H N 0.000 118.977 119.070 -0.155 0.000 2.539 592 H HA 0.000 4.550 4.556 -0.009 0.000 0.296 592 H CA 0.000 55.946 56.048 -0.170 0.000 1.023 592 H CB 0.000 29.716 29.762 -0.077 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496