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 3ab2_1_O DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTGSQAG DATA SEQUENCE VLTXXXXXXX XXXXXTPGRV REALDEGKIC IVAGFQXXXX XXXXXXXXGR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVS DATA SEQUENCE SVEDGTTDIT FTCPRSDGRR AMEILKKLQV QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLGGED VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.593 177.584 0.014 0.000 1.274 2 A CA 0.000 52.045 52.037 0.014 0.000 0.836 2 A CB 0.000 19.010 19.000 0.016 0.000 0.831 3 L N 1.196 122.426 121.223 0.013 0.000 2.287 3 L HA 0.718 5.058 4.340 0.000 0.000 0.287 3 L C -1.383 175.497 176.870 0.017 0.000 1.022 3 L CA -0.759 54.087 54.840 0.010 0.000 0.814 3 L CB 1.312 43.372 42.059 0.001 0.000 1.217 3 L HN 0.537 nan 8.230 nan 0.000 0.420 4 V N 5.794 125.723 119.914 0.024 0.000 2.407 4 V HA 0.343 4.463 4.120 0.000 0.000 0.291 4 V C -0.050 176.066 176.094 0.038 0.000 1.018 4 V CA -0.637 61.685 62.300 0.036 0.000 0.842 4 V CB 1.931 33.785 31.823 0.052 0.000 0.996 4 V HN 0.442 nan 8.190 nan 0.000 0.426 5 V N 5.398 125.331 119.914 0.031 0.000 2.607 5 V HA 0.423 4.543 4.120 0.000 0.000 0.289 5 V C -0.061 176.064 176.094 0.051 0.000 1.053 5 V CA -0.322 61.997 62.300 0.031 0.000 0.996 5 V CB 1.479 33.308 31.823 0.010 0.000 0.995 5 V HN 0.928 nan 8.190 nan 0.000 0.476 6 Q N 2.983 122.818 119.800 0.059 0.000 2.274 6 Q HA 0.464 4.804 4.340 0.000 0.000 0.268 6 Q C -1.001 174.988 176.000 -0.019 0.000 1.015 6 Q CA -0.868 54.955 55.803 0.033 0.000 0.775 6 Q CB 2.646 31.408 28.738 0.040 0.000 1.256 6 Q HN 0.667 nan 8.270 nan 0.000 0.442 7 K N 2.074 122.437 120.400 -0.061 0.000 2.235 7 K HA 0.370 4.690 4.320 0.000 0.000 0.266 7 K C -1.864 174.671 176.600 -0.108 0.000 0.980 7 K CA -0.152 56.125 56.287 -0.018 0.000 0.849 7 K CB 0.690 33.202 32.500 0.020 0.000 1.098 7 K HN 0.407 nan 8.250 nan 0.000 0.445 8 Y N 2.619 122.984 120.300 0.107 0.000 2.345 8 Y HA 0.412 4.962 4.550 0.000 0.000 0.331 8 Y C 0.954 176.901 175.900 0.079 0.000 0.959 8 Y CA -0.576 57.578 58.100 0.091 0.000 1.204 8 Y CB 1.865 40.321 38.460 -0.007 0.000 1.135 8 Y HN 0.873 nan 8.280 nan 0.000 0.477 9 G N 0.977 109.904 108.800 0.211 0.000 2.667 9 G HA2 0.278 4.238 3.960 0.000 0.000 0.250 9 G HA3 0.278 4.238 3.960 0.000 0.000 0.250 9 G C 1.115 176.102 174.900 0.145 0.000 1.212 9 G CA -0.092 45.100 45.100 0.153 0.000 0.874 9 G HN 0.852 nan 8.290 nan 0.000 0.561 10 G N -0.254 108.612 108.800 0.110 0.000 2.442 10 G HA2 -0.234 3.727 3.960 0.000 0.000 0.219 10 G HA3 -0.234 3.727 3.960 0.000 0.000 0.219 10 G C 2.197 177.158 174.900 0.101 0.000 1.141 10 G CA 1.945 47.099 45.100 0.091 0.000 0.763 10 G HN 1.006 nan 8.290 nan 0.000 0.554 11 S N 0.718 116.492 115.700 0.124 0.000 2.382 11 S HA -0.096 4.374 4.470 0.000 0.000 0.228 11 S C 2.329 177.051 174.600 0.203 0.000 1.027 11 S CA 1.723 60.017 58.200 0.157 0.000 0.991 11 S CB -0.483 62.819 63.200 0.169 0.000 0.823 11 S HN 0.221 nan 8.310 nan 0.000 0.469 12 S N 1.499 117.313 115.700 0.190 0.000 2.507 12 S HA 0.246 4.716 4.470 0.000 0.000 0.235 12 S C 0.888 175.501 174.600 0.022 0.000 0.988 12 S CA 0.609 58.876 58.200 0.111 0.000 0.944 12 S CB -0.362 62.959 63.200 0.202 0.000 0.762 12 S HN 0.512 nan 8.310 nan 0.000 0.526 13 L N 0.740 121.992 121.223 0.049 0.000 3.186 13 L HA 0.340 4.681 4.340 0.000 0.000 0.292 13 L C 0.964 177.847 176.870 0.022 0.000 1.303 13 L CA 0.005 54.847 54.840 0.004 0.000 0.940 13 L CB 0.257 42.319 42.059 0.006 0.000 1.358 13 L HN 0.109 nan 8.230 nan 0.000 0.581 14 E N 0.744 120.971 120.200 0.045 0.000 2.274 14 E HA -0.054 4.297 4.350 0.000 0.000 0.194 14 E C 0.558 177.175 176.600 0.029 0.000 0.996 14 E CA 0.781 57.210 56.400 0.049 0.000 0.840 14 E CB 0.393 30.138 29.700 0.075 0.000 0.772 14 E HN 0.552 nan 8.360 nan 0.000 0.491 15 S N -2.456 113.253 115.700 0.015 0.000 2.615 15 S HA 0.566 5.036 4.470 0.000 0.000 0.269 15 S C 0.646 175.240 174.600 -0.011 0.000 1.161 15 S CA -0.489 57.715 58.200 0.007 0.000 0.817 15 S CB 1.277 64.488 63.200 0.017 0.000 1.131 15 S HN -0.032 nan 8.310 nan 0.000 0.467 16 A N 0.961 123.774 122.820 -0.012 0.000 1.903 16 A HA -0.193 4.127 4.320 0.000 0.000 0.219 16 A C 1.973 179.538 177.584 -0.030 0.000 1.191 16 A CA 2.348 54.372 52.037 -0.022 0.000 0.638 16 A CB -1.394 17.597 19.000 -0.015 0.000 0.823 16 A HN 0.979 nan 8.150 nan 0.000 0.451 17 E N -0.886 119.302 120.200 -0.020 0.000 2.051 17 E HA -0.212 4.139 4.350 0.000 0.000 0.192 17 E C 2.302 178.876 176.600 -0.044 0.000 0.991 17 E CA 0.956 57.343 56.400 -0.023 0.000 0.799 17 E CB -0.075 29.623 29.700 -0.003 0.000 0.748 17 E HN 0.458 nan 8.360 nan 0.000 0.449 18 R N 0.320 120.794 120.500 -0.043 0.000 2.096 18 R HA -0.111 4.229 4.340 0.000 0.000 0.235 18 R C 2.330 178.552 176.300 -0.129 0.000 1.127 18 R CA 0.724 56.773 56.100 -0.085 0.000 0.968 18 R CB -0.425 29.844 30.300 -0.053 0.000 0.861 18 R HN 0.338 nan 8.270 nan 0.000 0.440 19 I N 0.852 121.360 120.570 -0.104 0.000 2.226 19 I HA -0.231 3.940 4.170 0.000 0.000 0.245 19 I C 2.343 178.372 176.117 -0.146 0.000 1.100 19 I CA 1.341 62.562 61.300 -0.132 0.000 1.374 19 I CB -0.812 37.134 38.000 -0.090 0.000 1.057 19 I HN 0.143 nan 8.210 nan 0.000 0.413 20 R N 0.330 120.767 120.500 -0.106 0.000 2.115 20 R HA -0.157 4.183 4.340 0.000 0.000 0.226 20 R C 2.046 178.280 176.300 -0.110 0.000 1.100 20 R CA 1.432 57.475 56.100 -0.095 0.000 0.980 20 R CB -0.370 29.892 30.300 -0.063 0.000 0.875 20 R HN 0.410 nan 8.270 nan 0.000 0.445 21 N N 0.220 118.850 118.700 -0.117 0.000 2.080 21 N HA -0.141 4.599 4.740 0.000 0.000 0.189 21 N C 1.665 177.070 175.510 -0.175 0.000 1.036 21 N CA 1.182 54.158 53.050 -0.123 0.000 0.846 21 N CB 0.054 38.469 38.487 -0.119 0.000 1.015 21 N HN -0.101 nan 8.380 nan 0.000 0.423 22 V N 1.001 120.760 119.914 -0.259 0.000 2.287 22 V HA -0.261 3.859 4.120 0.000 0.000 0.248 22 V C 2.404 178.270 176.094 -0.381 0.000 1.053 22 V CA 1.929 63.975 62.300 -0.423 0.000 1.027 22 V CB -1.260 30.166 31.823 -0.662 0.000 0.646 22 V HN 0.506 nan 8.190 nan 0.000 0.447 23 A N -0.442 122.208 122.820 -0.283 0.000 1.927 23 A HA -0.324 3.996 4.320 0.000 0.000 0.220 23 A C 2.351 179.852 177.584 -0.140 0.000 1.185 23 A CA 2.252 54.171 52.037 -0.196 0.000 0.639 23 A CB -0.548 18.368 19.000 -0.139 0.000 0.820 23 A HN 0.553 nan 8.150 nan 0.000 0.451 24 E N -0.148 119.981 120.200 -0.119 0.000 2.106 24 E HA -0.190 4.160 4.350 0.000 0.000 0.192 24 E C 2.244 178.802 176.600 -0.070 0.000 0.984 24 E CA 1.119 57.472 56.400 -0.078 0.000 0.806 24 E CB -0.297 29.366 29.700 -0.061 0.000 0.750 24 E HN 0.647 nan 8.360 nan 0.000 0.458 25 R N 0.251 120.693 120.500 -0.097 0.000 2.096 25 R HA -0.085 4.255 4.340 0.000 0.000 0.235 25 R C 2.526 178.799 176.300 -0.046 0.000 1.127 25 R CA 1.186 57.247 56.100 -0.065 0.000 0.968 25 R CB -0.189 30.056 30.300 -0.091 0.000 0.861 25 R HN 0.193 nan 8.270 nan 0.000 0.440 26 I N -0.067 120.452 120.570 -0.084 0.000 2.202 26 I HA -0.229 3.941 4.170 0.000 0.000 0.242 26 I C 2.180 178.288 176.117 -0.015 0.000 1.091 26 I CA 0.841 62.119 61.300 -0.038 0.000 1.368 26 I CB -0.086 37.867 38.000 -0.078 0.000 1.058 26 I HN 0.003 nan 8.210 nan 0.000 0.410 27 V N 1.015 120.910 119.914 -0.031 0.000 2.427 27 V HA -0.266 3.854 4.120 0.000 0.000 0.248 27 V C 2.697 178.789 176.094 -0.004 0.000 1.051 27 V CA 1.856 64.147 62.300 -0.016 0.000 1.048 27 V CB -0.972 30.837 31.823 -0.024 0.000 0.666 27 V HN 0.479 nan 8.190 nan 0.000 0.456 28 A N 0.951 123.768 122.820 -0.005 0.000 1.877 28 A HA -0.251 4.070 4.320 0.000 0.000 0.216 28 A C 2.512 180.107 177.584 0.019 0.000 1.186 28 A CA 2.652 54.693 52.037 0.007 0.000 0.620 28 A CB -1.045 17.959 19.000 0.008 0.000 0.822 28 A HN 0.635 nan 8.150 nan 0.000 0.443 29 T N -2.441 112.130 114.554 0.027 0.000 2.915 29 T HA -0.087 4.263 4.350 0.000 0.000 0.269 29 T C 1.854 176.573 174.700 0.032 0.000 1.071 29 T CA 1.476 63.600 62.100 0.040 0.000 1.132 29 T CB -0.199 68.707 68.868 0.063 0.000 0.878 29 T HN 0.453 nan 8.240 nan 0.000 0.479 30 K N 1.318 121.733 120.400 0.025 0.000 2.025 30 K HA -0.069 4.251 4.320 0.000 0.000 0.207 30 K C 2.368 178.978 176.600 0.016 0.000 1.049 30 K CA 1.141 57.441 56.287 0.021 0.000 0.933 30 K CB -0.158 32.352 32.500 0.016 0.000 0.714 30 K HN 0.333 nan 8.250 nan 0.000 0.438 31 K N 0.052 120.460 120.400 0.013 0.000 2.211 31 K HA -0.118 4.203 4.320 0.000 0.000 0.204 31 K C 1.813 178.421 176.600 0.014 0.000 1.047 31 K CA 1.058 57.351 56.287 0.011 0.000 0.935 31 K CB -0.112 32.393 32.500 0.008 0.000 0.728 31 K HN 0.176 nan 8.250 nan 0.000 0.452 32 A N 0.734 123.565 122.820 0.018 0.000 2.259 32 A HA 0.033 4.353 4.320 0.000 0.000 0.212 32 A C 1.199 178.793 177.584 0.017 0.000 1.178 32 A CA 1.075 53.123 52.037 0.019 0.000 0.734 32 A CB -0.523 18.492 19.000 0.025 0.000 0.774 32 A HN 0.436 nan 8.150 nan 0.000 0.481 33 G N -0.923 107.886 108.800 0.016 0.000 2.255 33 G HA2 -0.194 3.766 3.960 0.000 0.000 0.239 33 G HA3 -0.194 3.766 3.960 0.000 0.000 0.239 33 G C -0.476 174.434 174.900 0.016 0.000 1.083 33 G CA 0.034 45.142 45.100 0.014 0.000 0.826 33 G HN 0.657 nan 8.290 nan 0.000 0.493 34 N N 0.275 118.986 118.700 0.019 0.000 2.269 34 N HA 0.512 5.253 4.740 0.000 0.000 0.304 34 N C -1.263 174.260 175.510 0.021 0.000 1.072 34 N CA -1.047 52.015 53.050 0.021 0.000 0.802 34 N CB 1.437 39.941 38.487 0.028 0.000 1.348 34 N HN 0.051 nan 8.380 nan 0.000 0.484 35 D N 0.974 121.384 120.400 0.018 0.000 2.304 35 D HA 0.238 4.878 4.640 0.000 0.000 0.250 35 D C -0.614 175.700 176.300 0.023 0.000 1.107 35 D CA 0.075 54.086 54.000 0.018 0.000 0.885 35 D CB 1.469 42.275 40.800 0.010 0.000 1.192 35 D HN 0.014 nan 8.370 nan 0.000 0.436 36 V N 2.653 122.584 119.914 0.029 0.000 2.487 36 V HA 0.290 4.411 4.120 0.000 0.000 0.298 36 V C -0.008 176.112 176.094 0.043 0.000 1.028 36 V CA -0.812 61.512 62.300 0.041 0.000 0.860 36 V CB 2.135 33.987 31.823 0.048 0.000 0.991 36 V HN 0.238 nan 8.190 nan 0.000 0.427 37 V N 5.760 125.698 119.914 0.041 0.000 2.417 37 V HA 0.512 4.633 4.120 0.000 0.000 0.291 37 V C -0.236 175.901 176.094 0.071 0.000 1.024 37 V CA -0.531 61.793 62.300 0.041 0.000 0.861 37 V CB 2.037 33.859 31.823 -0.002 0.000 0.985 37 V HN 0.617 nan 8.190 nan 0.000 0.436 38 V N 5.836 125.808 119.914 0.097 0.000 2.459 38 V HA 0.542 4.663 4.120 0.000 0.000 0.295 38 V C -0.196 175.974 176.094 0.127 0.000 1.029 38 V CA -0.577 61.808 62.300 0.142 0.000 0.874 38 V CB 1.946 33.862 31.823 0.155 0.000 0.985 38 V HN 0.591 nan 8.190 nan 0.000 0.438 39 V N 3.342 123.335 119.914 0.132 0.000 2.555 39 V HA 0.464 4.585 4.120 0.000 0.000 0.302 39 V C -0.242 175.937 176.094 0.142 0.000 1.038 39 V CA -0.441 61.925 62.300 0.110 0.000 0.887 39 V CB 1.833 33.698 31.823 0.071 0.000 0.991 39 V HN 0.991 nan 8.190 nan 0.000 0.434 40 C N 3.040 122.411 119.300 0.118 0.000 2.417 40 C HA 0.682 5.143 4.460 0.000 0.000 0.324 40 C C 0.856 175.901 174.990 0.092 0.000 1.240 40 C CA -0.473 58.614 59.018 0.115 0.000 1.632 40 C CB 1.262 29.051 27.740 0.082 0.000 2.241 40 C HN 0.927 nan 8.230 nan 0.000 0.499 41 S N 1.140 116.898 115.700 0.096 0.000 2.681 41 S HA 0.688 5.159 4.470 0.000 0.000 0.270 41 S C 0.452 175.088 174.600 0.060 0.000 1.209 41 S CA -0.437 57.807 58.200 0.074 0.000 0.988 41 S CB 0.884 64.132 63.200 0.080 0.000 1.006 41 S HN 1.001 nan 8.310 nan 0.000 0.558 42 A N 1.069 123.917 122.820 0.047 0.000 2.327 42 A HA 0.448 4.768 4.320 0.000 0.000 0.255 42 A C 0.155 177.762 177.584 0.039 0.000 1.099 42 A CA -0.231 51.828 52.037 0.036 0.000 0.801 42 A CB -0.197 18.819 19.000 0.027 0.000 1.062 42 A HN 0.775 nan 8.150 nan 0.000 0.496 43 M N 1.300 120.918 119.600 0.030 0.000 2.200 43 M HA 0.388 4.868 4.480 0.000 0.000 0.355 43 M C 1.371 177.693 176.300 0.036 0.000 1.283 43 M CA 1.212 56.530 55.300 0.031 0.000 1.124 43 M CB 0.203 32.815 32.600 0.020 0.000 1.625 43 M HN 1.287 nan 8.290 nan 0.000 0.463 44 G N 2.919 111.747 108.800 0.046 0.000 2.622 44 G HA2 -0.270 3.690 3.960 0.000 0.000 0.307 44 G HA3 -0.270 3.690 3.960 0.000 0.000 0.307 44 G C -0.011 174.915 174.900 0.044 0.000 1.226 44 G CA 0.347 45.476 45.100 0.048 0.000 0.997 44 G HN 0.776 nan 8.290 nan 0.000 0.551 45 D N 0.997 121.418 120.400 0.035 0.000 2.587 45 D HA 0.295 4.935 4.640 0.000 0.000 0.233 45 D C 1.951 178.266 176.300 0.025 0.000 1.213 45 D CA 0.787 54.806 54.000 0.031 0.000 0.827 45 D CB -0.031 40.785 40.800 0.027 0.000 1.006 45 D HN 0.347 nan 8.370 nan 0.000 0.490 46 T N 0.228 114.797 114.554 0.025 0.000 2.635 46 T HA -0.167 4.183 4.350 0.000 0.000 0.267 46 T C 2.068 176.778 174.700 0.016 0.000 1.040 46 T CA 1.606 63.717 62.100 0.019 0.000 1.156 46 T CB -0.171 68.708 68.868 0.018 0.000 0.863 46 T HN 0.202 nan 8.240 nan 0.000 0.430 47 T N 1.990 116.556 114.554 0.019 0.000 2.665 47 T HA -0.147 4.203 4.350 0.000 0.000 0.268 47 T C 1.730 176.439 174.700 0.015 0.000 1.035 47 T CA 1.454 63.563 62.100 0.016 0.000 1.151 47 T CB -0.518 68.363 68.868 0.022 0.000 0.862 47 T HN 0.352 nan 8.240 nan 0.000 0.438 48 D N 0.800 121.211 120.400 0.019 0.000 2.144 48 D HA -0.057 4.584 4.640 0.000 0.000 0.199 48 D C 2.230 178.539 176.300 0.014 0.000 0.984 48 D CA 0.931 54.942 54.000 0.018 0.000 0.834 48 D CB -0.189 40.624 40.800 0.021 0.000 0.955 48 D HN 0.546 nan 8.370 nan 0.000 0.465 49 E N -0.102 120.106 120.200 0.013 0.000 2.072 49 E HA -0.124 4.226 4.350 0.000 0.000 0.191 49 E C 2.032 178.636 176.600 0.007 0.000 0.985 49 E CA 0.359 56.766 56.400 0.011 0.000 0.801 49 E CB 0.059 29.766 29.700 0.011 0.000 0.750 49 E HN 0.092 nan 8.360 nan 0.000 0.452 50 L N 0.655 121.881 121.223 0.005 0.000 2.046 50 L HA -0.182 4.158 4.340 0.000 0.000 0.208 50 L C 2.239 179.108 176.870 -0.000 0.000 1.077 50 L CA 1.468 56.309 54.840 0.000 0.000 0.747 50 L CB -0.687 41.370 42.059 -0.003 0.000 0.896 50 L HN 0.169 nan 8.230 nan 0.000 0.432 51 L N -0.993 120.231 121.223 0.003 0.000 2.083 51 L HA -0.224 4.116 4.340 0.000 0.000 0.209 51 L C 2.581 179.454 176.870 0.005 0.000 1.083 51 L CA 1.221 56.063 54.840 0.003 0.000 0.752 51 L CB -0.382 41.682 42.059 0.008 0.000 0.899 51 L HN 0.402 nan 8.230 nan 0.000 0.433 52 E N 0.351 120.556 120.200 0.007 0.000 2.072 52 E HA -0.198 4.153 4.350 0.000 0.000 0.191 52 E C 2.387 178.990 176.600 0.005 0.000 0.985 52 E CA 0.856 57.260 56.400 0.007 0.000 0.801 52 E CB 0.055 29.761 29.700 0.009 0.000 0.750 52 E HN 0.447 nan 8.360 nan 0.000 0.452 53 L N 0.443 121.668 121.223 0.004 0.000 2.017 53 L HA -0.183 4.158 4.340 0.000 0.000 0.208 53 L C 2.666 179.537 176.870 0.000 0.000 1.073 53 L CA 1.179 56.020 54.840 0.002 0.000 0.745 53 L CB -0.437 41.623 42.059 0.001 0.000 0.894 53 L HN 0.186 nan 8.230 nan 0.000 0.432 54 A N -0.126 122.693 122.820 -0.001 0.000 1.908 54 A HA -0.221 4.099 4.320 0.000 0.000 0.218 54 A C 2.467 180.051 177.584 -0.000 0.000 1.181 54 A CA 1.915 53.950 52.037 -0.003 0.000 0.627 54 A CB -0.744 18.252 19.000 -0.006 0.000 0.818 54 A HN 0.434 nan 8.150 nan 0.000 0.445 55 A N -0.500 122.321 122.820 0.002 0.000 1.968 55 A HA 0.267 4.588 4.320 0.000 0.000 0.217 55 A C 2.440 180.027 177.584 0.004 0.000 1.169 55 A CA 1.767 53.807 52.037 0.004 0.000 0.638 55 A CB -0.810 18.194 19.000 0.007 0.000 0.812 55 A HN 0.990 nan 8.150 nan 0.000 0.446 56 A N -0.027 122.795 122.820 0.004 0.000 1.898 56 A HA 0.033 4.353 4.320 0.000 0.000 0.216 56 A C 2.252 179.837 177.584 0.003 0.000 1.181 56 A CA 1.946 53.986 52.037 0.004 0.000 0.620 56 A CB -1.025 17.977 19.000 0.004 0.000 0.819 56 A HN 1.116 nan 8.150 nan 0.000 0.442 57 V N -3.048 116.867 119.914 0.002 0.000 2.951 57 V HA 0.145 4.265 4.120 0.000 0.000 0.255 57 V C 0.444 176.539 176.094 0.001 0.000 1.088 57 V CA 1.367 63.667 62.300 0.001 0.000 1.109 57 V CB -0.580 31.243 31.823 -0.000 0.000 0.724 57 V HN 0.500 nan 8.190 nan 0.000 0.471 58 N N 0.732 119.433 118.700 0.001 0.000 2.616 58 N HA 0.413 5.154 4.740 0.000 0.000 0.281 58 N C -3.414 172.098 175.510 0.003 0.000 1.145 58 N CA -1.405 51.646 53.050 0.002 0.000 0.919 58 N CB 2.296 40.784 38.487 0.001 0.000 1.509 58 N HN 0.075 nan 8.380 nan 0.000 0.537 59 P HA 0.030 nan 4.420 nan 0.000 0.269 59 P C 0.070 177.373 177.300 0.005 0.000 1.209 59 P CA -0.085 63.019 63.100 0.006 0.000 0.776 59 P CB 0.692 32.396 31.700 0.006 0.000 0.876 60 V N 2.390 122.308 119.914 0.006 0.000 5.953 60 V HA -0.160 3.960 4.120 0.000 0.000 0.213 60 V C -2.389 173.707 176.094 0.004 0.000 0.673 60 V CA -0.317 61.986 62.300 0.006 0.000 0.618 60 V CB -1.665 30.162 31.823 0.007 0.000 0.533 60 V HN 0.549 nan 8.190 nan 0.000 0.447 61 P HA 0.338 nan 4.420 nan 0.000 0.271 61 P C -2.370 174.929 177.300 -0.002 0.000 1.216 61 P CA -0.961 62.138 63.100 -0.002 0.000 0.771 61 P CB 0.208 31.905 31.700 -0.005 0.000 0.864 62 P HA 0.006 nan 4.420 nan 0.000 0.265 62 P C 0.696 177.992 177.300 -0.008 0.000 1.193 62 P CA 0.210 63.308 63.100 -0.002 0.000 0.765 62 P CB 0.419 32.119 31.700 -0.001 0.000 0.823 63 A N 4.856 127.674 122.820 -0.004 0.000 2.024 63 A HA -0.233 4.087 4.320 0.000 0.000 0.220 63 A C 1.986 179.556 177.584 -0.024 0.000 1.164 63 A CA 1.240 53.271 52.037 -0.010 0.000 0.643 63 A CB -0.580 18.423 19.000 0.004 0.000 0.806 63 A HN 0.544 nan 8.150 nan 0.000 0.451 64 R N 0.342 120.834 120.500 -0.014 0.000 2.073 64 R HA -0.084 4.257 4.340 0.000 0.000 0.229 64 R C 1.262 177.536 176.300 -0.043 0.000 1.120 64 R CA 1.397 57.487 56.100 -0.015 0.000 0.967 64 R CB -0.815 29.491 30.300 0.010 0.000 0.862 64 R HN 0.635 nan 8.270 nan 0.000 0.436 65 E N 1.092 121.271 120.200 -0.034 0.000 2.170 65 E HA -0.076 4.274 4.350 0.000 0.000 0.191 65 E C 1.955 178.519 176.600 -0.060 0.000 0.981 65 E CA 0.519 56.894 56.400 -0.042 0.000 0.830 65 E CB -0.436 29.250 29.700 -0.023 0.000 0.775 65 E HN 0.163 nan 8.360 nan 0.000 0.470 66 M N 2.541 122.109 119.600 -0.055 0.000 2.080 66 M HA -0.166 4.314 4.480 0.000 0.000 0.260 66 M C 1.872 178.110 176.300 -0.104 0.000 1.068 66 M CA 1.710 56.974 55.300 -0.060 0.000 1.109 66 M CB -0.391 32.185 32.600 -0.040 0.000 1.342 66 M HN -0.023 nan 8.290 nan 0.000 0.405 67 D N -0.206 120.107 120.400 -0.146 0.000 2.108 67 D HA -0.282 4.358 4.640 0.000 0.000 0.190 67 D C 2.086 178.181 176.300 -0.342 0.000 0.995 67 D CA 2.319 56.147 54.000 -0.286 0.000 0.834 67 D CB -0.442 40.144 40.800 -0.357 0.000 0.967 67 D HN 0.555 nan 8.370 nan 0.000 0.446 68 M N -0.200 119.239 119.600 -0.269 0.000 2.106 68 M HA -0.238 4.242 4.480 0.000 0.000 0.259 68 M C 2.300 178.523 176.300 -0.128 0.000 1.068 68 M CA 1.321 56.505 55.300 -0.193 0.000 1.100 68 M CB -0.112 32.428 32.600 -0.099 0.000 1.351 68 M HN 0.144 nan 8.290 nan 0.000 0.404 69 L N 0.655 121.818 121.223 -0.099 0.000 2.005 69 L HA -0.136 4.204 4.340 0.000 0.000 0.207 69 L C 2.067 178.899 176.870 -0.062 0.000 1.072 69 L CA 1.801 56.603 54.840 -0.063 0.000 0.744 69 L CB -0.682 41.349 42.059 -0.045 0.000 0.895 69 L HN 0.362 nan 8.230 nan 0.000 0.433 70 L N -0.933 120.243 121.223 -0.078 0.000 2.093 70 L HA -0.174 4.166 4.340 0.000 0.000 0.208 70 L C 2.596 179.431 176.870 -0.059 0.000 1.085 70 L CA 1.680 56.485 54.840 -0.058 0.000 0.755 70 L CB -1.226 40.800 42.059 -0.055 0.000 0.904 70 L HN 0.525 nan 8.230 nan 0.000 0.435 71 T N -1.343 113.145 114.554 -0.110 0.000 2.821 71 T HA -0.134 4.216 4.350 0.000 0.000 0.267 71 T C 1.966 176.653 174.700 -0.023 0.000 1.046 71 T CA 1.143 63.200 62.100 -0.070 0.000 1.139 71 T CB -0.129 68.657 68.868 -0.136 0.000 0.871 71 T HN 0.301 nan 8.240 nan 0.000 0.454 72 A N 1.413 124.211 122.820 -0.037 0.000 1.908 72 A HA 0.200 4.520 4.320 0.000 0.000 0.218 72 A C 2.745 180.326 177.584 -0.005 0.000 1.181 72 A CA 1.926 53.955 52.037 -0.014 0.000 0.627 72 A CB -1.687 17.301 19.000 -0.020 0.000 0.818 72 A HN 0.665 nan 8.150 nan 0.000 0.445 73 G N -0.501 108.294 108.800 -0.008 0.000 2.433 73 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 73 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 73 G C 1.436 176.342 174.900 0.011 0.000 1.186 73 G CA 0.980 46.081 45.100 0.001 0.000 0.779 73 G HN 0.652 nan 8.290 nan 0.000 0.543 74 E N 0.101 120.310 120.200 0.015 0.000 2.150 74 E HA -0.053 4.298 4.350 0.000 0.000 0.193 74 E C 2.667 179.286 176.600 0.032 0.000 0.985 74 E CA 0.296 56.714 56.400 0.029 0.000 0.814 74 E CB -0.077 29.646 29.700 0.039 0.000 0.752 74 E HN 0.329 nan 8.360 nan 0.000 0.466 75 R N 0.446 120.963 120.500 0.029 0.000 2.235 75 R HA -0.011 4.329 4.340 0.000 0.000 0.213 75 R C 2.210 178.519 176.300 0.015 0.000 1.059 75 R CA 0.372 56.489 56.100 0.028 0.000 0.997 75 R CB -0.017 30.302 30.300 0.032 0.000 0.884 75 R HN 0.224 nan 8.270 nan 0.000 0.462 76 I N 0.383 120.960 120.570 0.011 0.000 2.142 76 I HA -0.247 3.923 4.170 0.000 0.000 0.240 76 I C 2.011 178.129 176.117 0.002 0.000 1.078 76 I CA 1.416 62.719 61.300 0.004 0.000 1.343 76 I CB -0.792 37.211 38.000 0.004 0.000 1.046 76 I HN 0.080 nan 8.210 nan 0.000 0.405 77 S N 1.151 116.855 115.700 0.007 0.000 2.348 77 S HA -0.207 4.263 4.470 0.000 0.000 0.221 77 S C 1.851 176.449 174.600 -0.004 0.000 1.033 77 S CA 1.659 59.860 58.200 0.001 0.000 1.010 77 S CB -0.576 62.633 63.200 0.015 0.000 0.891 77 S HN 0.450 nan 8.310 nan 0.000 0.442 78 N N 2.168 120.875 118.700 0.011 0.000 2.049 78 N HA -0.205 4.535 4.740 0.000 0.000 0.198 78 N C 1.693 177.199 175.510 -0.006 0.000 1.030 78 N CA 2.103 55.160 53.050 0.012 0.000 0.870 78 N CB -0.694 37.810 38.487 0.028 0.000 1.045 78 N HN 0.368 nan 8.380 nan 0.000 0.434 79 A N 0.632 123.448 122.820 -0.008 0.000 1.865 79 A HA -0.099 4.221 4.320 0.000 0.000 0.217 79 A C 2.286 179.856 177.584 -0.023 0.000 1.191 79 A CA 1.274 53.302 52.037 -0.016 0.000 0.623 79 A CB -0.784 18.209 19.000 -0.012 0.000 0.826 79 A HN 0.310 nan 8.150 nan 0.000 0.444 80 L N -0.360 120.849 121.223 -0.024 0.000 2.046 80 L HA -0.115 4.225 4.340 0.000 0.000 0.208 80 L C 2.658 179.500 176.870 -0.047 0.000 1.077 80 L CA 1.383 56.204 54.840 -0.033 0.000 0.747 80 L CB -1.131 40.910 42.059 -0.031 0.000 0.896 80 L HN 0.214 nan 8.230 nan 0.000 0.432 81 V N -0.246 119.635 119.914 -0.055 0.000 2.343 81 V HA -0.285 3.835 4.120 0.000 0.000 0.247 81 V C 2.728 178.784 176.094 -0.063 0.000 1.051 81 V CA 1.539 63.792 62.300 -0.079 0.000 1.036 81 V CB -1.117 30.652 31.823 -0.089 0.000 0.654 81 V HN 0.489 nan 8.190 nan 0.000 0.451 82 A N -0.572 122.223 122.820 -0.043 0.000 1.902 82 A HA -0.259 4.062 4.320 0.000 0.000 0.217 82 A C 2.246 179.807 177.584 -0.038 0.000 1.181 82 A CA 2.288 54.304 52.037 -0.036 0.000 0.623 82 A CB -0.507 18.474 19.000 -0.032 0.000 0.818 82 A HN 0.499 nan 8.150 nan 0.000 0.443 83 M N -0.612 118.966 119.600 -0.037 0.000 2.108 83 M HA -0.186 4.294 4.480 0.000 0.000 0.261 83 M C 2.515 178.791 176.300 -0.039 0.000 1.066 83 M CA 1.535 56.814 55.300 -0.035 0.000 1.107 83 M CB -0.416 32.165 32.600 -0.032 0.000 1.356 83 M HN 0.510 nan 8.290 nan 0.000 0.406 84 A N 0.601 123.391 122.820 -0.049 0.000 1.872 84 A HA -0.109 4.211 4.320 0.000 0.000 0.214 84 A C 2.016 179.567 177.584 -0.056 0.000 1.187 84 A CA 1.083 53.085 52.037 -0.057 0.000 0.614 84 A CB -0.652 18.302 19.000 -0.077 0.000 0.826 84 A HN 0.346 nan 8.150 nan 0.000 0.442 85 I N 0.609 121.143 120.570 -0.060 0.000 2.145 85 I HA -0.267 3.904 4.170 0.000 0.000 0.244 85 I C 2.303 178.398 176.117 -0.036 0.000 1.075 85 I CA 1.809 63.079 61.300 -0.050 0.000 1.332 85 I CB -1.487 36.486 38.000 -0.044 0.000 1.033 85 I HN 0.490 nan 8.210 nan 0.000 0.410 86 E N 0.415 120.595 120.200 -0.032 0.000 2.208 86 E HA -0.133 4.217 4.350 0.000 0.000 0.193 86 E C 2.190 178.775 176.600 -0.024 0.000 0.988 86 E CA 1.351 57.736 56.400 -0.025 0.000 0.828 86 E CB -0.036 29.649 29.700 -0.025 0.000 0.763 86 E HN 0.567 nan 8.360 nan 0.000 0.478 87 S N 0.904 116.587 115.700 -0.027 0.000 2.423 87 S HA -0.070 4.400 4.470 0.000 0.000 0.231 87 S C 1.862 176.448 174.600 -0.023 0.000 1.014 87 S CA 0.614 58.799 58.200 -0.025 0.000 0.965 87 S CB -0.278 62.906 63.200 -0.027 0.000 0.785 87 S HN 0.179 nan 8.310 nan 0.000 0.495 88 L N 1.046 122.253 121.223 -0.027 0.000 2.612 88 L HA 0.375 4.715 4.340 0.000 0.000 0.230 88 L C 1.732 178.591 176.870 -0.019 0.000 1.140 88 L CA 0.315 55.140 54.840 -0.024 0.000 0.896 88 L CB -0.364 41.676 42.059 -0.031 0.000 1.065 88 L HN 0.613 nan 8.230 nan 0.000 0.447 89 G N -0.312 108.478 108.800 -0.017 0.000 2.176 89 G HA2 -0.214 3.747 3.960 0.000 0.000 0.232 89 G HA3 -0.214 3.747 3.960 0.000 0.000 0.232 89 G C 0.310 175.203 174.900 -0.011 0.000 0.986 89 G CA -0.056 45.036 45.100 -0.013 0.000 0.643 89 G HN 0.469 nan 8.290 nan 0.000 0.522 90 A N -0.369 122.444 122.820 -0.013 0.000 2.252 90 A HA 0.797 5.117 4.320 0.000 0.000 0.305 90 A C 0.200 177.778 177.584 -0.009 0.000 1.097 90 A CA 0.199 52.231 52.037 -0.009 0.000 0.849 90 A CB 0.821 19.815 19.000 -0.010 0.000 1.142 90 A HN 0.516 nan 8.150 nan 0.000 0.499 91 E N -0.203 119.995 120.200 -0.003 0.000 2.145 91 E HA 0.559 4.909 4.350 0.000 0.000 0.270 91 E C -0.548 176.052 176.600 0.001 0.000 0.906 91 E CA -0.562 55.836 56.400 -0.004 0.000 0.761 91 E CB 1.368 31.069 29.700 0.000 0.000 1.116 91 E HN 0.827 nan 8.360 nan 0.000 0.408 92 A N 4.250 127.064 122.820 -0.009 0.000 2.320 92 A HA 0.536 4.856 4.320 0.000 0.000 0.334 92 A C -0.840 176.727 177.584 -0.028 0.000 1.147 92 A CA -0.549 51.484 52.037 -0.007 0.000 0.820 92 A CB 1.490 20.479 19.000 -0.018 0.000 1.218 92 A HN 0.651 nan 8.150 nan 0.000 0.482 93 Q N 0.755 120.537 119.800 -0.029 0.000 2.268 93 Q HA 0.529 4.869 4.340 0.000 0.000 0.266 93 Q C -1.436 174.405 176.000 -0.265 0.000 1.006 93 Q CA -0.324 55.388 55.803 -0.153 0.000 0.824 93 Q CB 1.875 30.542 28.738 -0.118 0.000 1.306 93 Q HN 0.722 nan 8.270 nan 0.000 0.424 94 S N 2.916 118.364 115.700 -0.421 0.000 2.565 94 S HA 0.743 5.213 4.470 0.000 0.000 0.290 94 S C -1.119 173.100 174.600 -0.634 0.000 1.150 94 S CA -0.341 57.670 58.200 -0.314 0.000 1.058 94 S CB 0.583 63.696 63.200 -0.147 0.000 1.032 94 S HN 0.442 nan 8.310 nan 0.000 0.510 95 F N 0.345 120.298 119.950 0.006 0.000 2.599 95 F HA 0.472 4.999 4.527 0.000 0.000 0.311 95 F C 0.775 176.586 175.800 0.019 0.000 1.076 95 F CA -0.969 57.031 58.000 0.000 0.000 0.937 95 F CB 1.668 40.662 39.000 -0.011 0.000 1.282 95 F HN 0.551 nan 8.300 nan 0.000 0.460 96 T N -1.764 112.908 114.554 0.197 0.000 2.847 96 T HA 0.408 4.759 4.350 0.000 0.000 0.279 96 T C 1.274 176.054 174.700 0.134 0.000 0.984 96 T CA -0.158 62.048 62.100 0.176 0.000 0.988 96 T CB 1.407 70.380 68.868 0.176 0.000 1.040 96 T HN 0.781 nan 8.240 nan 0.000 0.528 97 G N 0.776 109.664 108.800 0.147 0.000 2.505 97 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 97 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 97 G C 1.667 176.562 174.900 -0.008 0.000 1.145 97 G CA 1.079 46.227 45.100 0.080 0.000 0.761 97 G HN 0.733 nan 8.290 nan 0.000 0.571 98 S N 0.566 116.203 115.700 -0.104 0.000 2.348 98 S HA -0.167 4.303 4.470 0.000 0.000 0.221 98 S C 2.316 176.841 174.600 -0.125 0.000 1.033 98 S CA 1.560 59.636 58.200 -0.206 0.000 1.010 98 S CB -0.445 62.448 63.200 -0.511 0.000 0.891 98 S HN 0.573 nan 8.310 nan 0.000 0.442 99 Q N 0.893 120.645 119.800 -0.080 0.000 2.170 99 Q HA -0.035 4.306 4.340 0.000 0.000 0.203 99 Q C 2.483 178.511 176.000 0.046 0.000 0.976 99 Q CA 1.282 57.107 55.803 0.038 0.000 0.858 99 Q CB -0.414 28.414 28.738 0.150 0.000 0.907 99 Q HN 0.621 nan 8.270 nan 0.000 0.433 100 A N 0.077 122.891 122.820 -0.010 0.000 1.930 100 A HA 0.036 4.357 4.320 0.000 0.000 0.217 100 A C 1.712 179.186 177.584 -0.183 0.000 1.175 100 A CA 1.648 53.569 52.037 -0.193 0.000 0.627 100 A CB -0.231 18.684 19.000 -0.141 0.000 0.815 100 A HN 0.504 nan 8.150 nan 0.000 0.443 101 G N -2.630 106.099 108.800 -0.118 0.000 2.834 101 G HA2 0.094 4.054 3.960 0.000 0.000 0.217 101 G HA3 0.094 4.054 3.960 0.000 0.000 0.217 101 G C 0.061 174.903 174.900 -0.098 0.000 0.974 101 G CA 0.090 45.123 45.100 -0.111 0.000 0.826 101 G HN 0.966 nan 8.290 nan 0.000 0.584 102 V N 1.553 121.416 119.914 -0.086 0.000 2.521 102 V HA 0.608 4.728 4.120 0.000 0.000 0.286 102 V C 1.756 177.819 176.094 -0.052 0.000 1.034 102 V CA 1.278 63.535 62.300 -0.073 0.000 1.045 102 V CB 0.975 32.767 31.823 -0.053 0.000 0.974 102 V HN 1.099 nan 8.190 nan 0.000 0.480 103 L N 5.268 126.466 121.223 -0.042 0.000 2.357 103 L HA 0.358 4.698 4.340 0.000 0.000 0.211 103 L C 1.358 178.226 176.870 -0.004 0.000 1.075 103 L CA 1.503 56.328 54.840 -0.025 0.000 0.830 103 L CB -1.360 40.686 42.059 -0.022 0.000 0.996 103 L HN 1.091 nan 8.230 nan 0.000 0.467 118 P HA 0.175 nan 4.420 nan 0.000 0.255 118 P C 1.765 178.980 177.300 -0.141 0.000 1.248 118 P CA 0.665 63.673 63.100 -0.154 0.000 0.807 118 P CB 0.008 31.616 31.700 -0.153 0.000 1.150 119 G N 1.760 110.503 108.800 -0.094 0.000 2.505 119 G HA2 -0.290 3.670 3.960 0.000 0.000 0.220 119 G HA3 -0.290 3.670 3.960 0.000 0.000 0.220 119 G C 1.801 176.665 174.900 -0.060 0.000 1.145 119 G CA 0.429 45.489 45.100 -0.066 0.000 0.761 119 G HN 0.240 nan 8.290 nan 0.000 0.571 120 R N -0.232 120.231 120.500 -0.063 0.000 2.096 120 R HA -0.040 4.300 4.340 0.000 0.000 0.235 120 R C 2.699 178.961 176.300 -0.062 0.000 1.127 120 R CA 1.271 57.368 56.100 -0.004 0.000 0.968 120 R CB -0.659 29.685 30.300 0.074 0.000 0.861 120 R HN 0.387 nan 8.270 nan 0.000 0.440 121 V N 1.036 120.766 119.914 -0.307 0.000 2.358 121 V HA -0.203 3.918 4.120 0.000 0.000 0.246 121 V C 2.550 178.559 176.094 -0.142 0.000 1.047 121 V CA 1.415 63.468 62.300 -0.411 0.000 1.035 121 V CB -0.530 30.986 31.823 -0.511 0.000 0.658 121 V HN 0.202 nan 8.190 nan 0.000 0.452 122 R N 0.330 120.766 120.500 -0.107 0.000 2.091 122 R HA -0.161 4.179 4.340 0.000 0.000 0.238 122 R C 2.259 178.549 176.300 -0.016 0.000 1.136 122 R CA 1.733 57.800 56.100 -0.055 0.000 0.959 122 R CB -0.482 29.787 30.300 -0.051 0.000 0.856 122 R HN 0.664 nan 8.270 nan 0.000 0.437 123 E N -0.307 119.893 120.200 -0.001 0.000 2.023 123 E HA -0.190 4.161 4.350 0.000 0.000 0.196 123 E C 1.963 178.590 176.600 0.046 0.000 1.003 123 E CA 1.556 57.971 56.400 0.025 0.000 0.809 123 E CB -0.211 29.511 29.700 0.038 0.000 0.755 123 E HN 0.356 nan 8.360 nan 0.000 0.449 124 A N 1.116 123.989 122.820 0.088 0.000 1.908 124 A HA -0.190 4.130 4.320 0.000 0.000 0.218 124 A C 2.222 179.851 177.584 0.074 0.000 1.181 124 A CA 1.249 53.357 52.037 0.118 0.000 0.627 124 A CB -0.718 18.441 19.000 0.265 0.000 0.818 124 A HN 0.145 nan 8.150 nan 0.000 0.445 125 L N -0.629 120.623 121.223 0.047 0.000 2.083 125 L HA -0.184 4.156 4.340 0.000 0.000 0.209 125 L C 1.979 178.861 176.870 0.020 0.000 1.083 125 L CA 1.385 56.241 54.840 0.027 0.000 0.752 125 L CB -0.591 41.469 42.059 0.002 0.000 0.899 125 L HN 0.297 nan 8.230 nan 0.000 0.433 126 D N 0.046 120.455 120.400 0.016 0.000 2.178 126 D HA -0.159 4.481 4.640 0.000 0.000 0.202 126 D C 1.935 178.245 176.300 0.015 0.000 0.974 126 D CA 0.963 54.970 54.000 0.012 0.000 0.841 126 D CB -0.010 40.795 40.800 0.008 0.000 0.953 126 D HN 0.412 nan 8.370 nan 0.000 0.478 127 E N -0.398 119.815 120.200 0.022 0.000 2.478 127 E HA 0.082 4.432 4.350 0.000 0.000 0.198 127 E C 1.251 177.863 176.600 0.019 0.000 1.046 127 E CA 0.494 56.906 56.400 0.021 0.000 0.870 127 E CB 0.166 29.881 29.700 0.026 0.000 0.818 127 E HN 0.307 nan 8.360 nan 0.000 0.527 128 G N 1.633 110.446 108.800 0.021 0.000 2.175 128 G HA2 -0.269 3.691 3.960 0.000 0.000 0.244 128 G HA3 -0.269 3.691 3.960 0.000 0.000 0.244 128 G C 0.055 174.969 174.900 0.024 0.000 0.982 128 G CA -0.103 45.009 45.100 0.019 0.000 0.641 128 G HN 0.132 nan 8.290 nan 0.000 0.527 129 K N 0.233 120.654 120.400 0.034 0.000 2.185 129 K HA 0.557 4.877 4.320 0.000 0.000 0.271 129 K C 0.526 177.158 176.600 0.053 0.000 1.013 129 K CA -0.451 55.861 56.287 0.041 0.000 0.943 129 K CB 1.342 33.874 32.500 0.053 0.000 0.998 129 K HN 0.255 nan 8.250 nan 0.000 0.468 130 I N 2.302 122.902 120.570 0.049 0.000 2.371 130 I HA 0.056 4.226 4.170 0.000 0.000 0.290 130 I C -0.104 176.071 176.117 0.096 0.000 1.028 130 I CA -0.645 60.690 61.300 0.058 0.000 1.345 130 I CB 0.763 38.785 38.000 0.036 0.000 1.407 130 I HN 0.489 nan 8.210 nan 0.000 0.501 131 C N 7.542 126.919 119.300 0.128 0.000 2.307 131 C HA 0.532 4.992 4.460 0.000 0.000 0.340 131 C C 0.159 175.266 174.990 0.194 0.000 1.275 131 C CA -0.498 58.663 59.018 0.238 0.000 1.811 131 C CB -0.280 27.587 27.740 0.212 0.000 2.372 131 C HN 0.435 nan 8.230 nan 0.000 0.531 132 I N 3.624 124.329 120.570 0.225 0.000 2.377 132 I HA 0.447 4.617 4.170 0.000 0.000 0.293 132 I C -0.112 176.140 176.117 0.226 0.000 0.987 132 I CA -0.010 61.387 61.300 0.161 0.000 1.185 132 I CB 1.536 39.587 38.000 0.084 0.000 1.341 132 I HN 0.340 nan 8.210 nan 0.000 0.455 133 V N 5.872 125.887 119.914 0.168 0.000 2.340 133 V HA 0.580 4.700 4.120 0.000 0.000 0.277 133 V C 0.121 176.288 176.094 0.122 0.000 1.017 133 V CA -0.798 61.602 62.300 0.167 0.000 0.820 133 V CB 1.215 33.102 31.823 0.106 0.000 1.028 133 V HN 0.820 nan 8.190 nan 0.000 0.436 134 A N 3.784 126.676 122.820 0.120 0.000 2.415 134 A HA 0.686 5.007 4.320 0.000 0.000 0.309 134 A C 0.978 178.634 177.584 0.120 0.000 1.356 134 A CA 0.223 52.319 52.037 0.099 0.000 0.998 134 A CB 0.068 19.116 19.000 0.080 0.000 1.145 134 A HN 0.965 nan 8.150 nan 0.000 0.545 135 G N 0.433 109.297 108.800 0.107 0.000 2.630 135 G HA2 0.204 4.164 3.960 0.000 0.000 0.236 135 G HA3 0.204 4.164 3.960 0.000 0.000 0.236 135 G C 0.356 175.364 174.900 0.181 0.000 1.248 135 G CA -0.271 44.905 45.100 0.128 0.000 0.844 135 G HN 0.750 nan 8.290 nan 0.000 0.588 136 F N 0.712 120.675 119.950 0.022 0.000 2.811 136 F HA 0.234 4.762 4.527 0.001 0.000 0.301 136 F C 2.150 177.960 175.800 0.017 0.000 1.151 136 F CA 0.710 58.721 58.000 0.020 0.000 1.412 136 F CB -0.060 38.950 39.000 0.017 0.000 1.113 136 F HN 0.649 nan 8.300 nan 0.000 0.579 151 R N -0.909 119.632 120.500 0.068 0.000 2.526 151 R HA 0.476 4.816 4.340 0.000 0.000 0.346 151 R C 1.246 177.625 176.300 0.133 0.000 0.926 151 R CA 0.600 56.761 56.100 0.102 0.000 1.147 151 R CB 0.752 31.104 30.300 0.085 0.000 1.629 151 R HN 1.167 nan 8.270 nan 0.000 0.516 152 G N 0.585 109.445 108.800 0.100 0.000 2.284 152 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 152 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 152 G C 0.799 175.742 174.900 0.072 0.000 1.009 152 G CA 0.021 45.182 45.100 0.102 0.000 0.625 152 G HN 0.934 nan 8.290 nan 0.000 0.501 153 G N -0.033 108.801 108.800 0.058 0.000 2.523 153 G HA2 -0.024 3.936 3.960 0.000 0.000 0.271 153 G HA3 -0.024 3.936 3.960 0.000 0.000 0.271 153 G C 1.709 176.632 174.900 0.039 0.000 1.146 153 G CA 2.634 47.761 45.100 0.045 0.000 0.961 153 G HN 2.111 nan 8.290 nan 0.000 0.549 154 S N 0.435 116.162 115.700 0.045 0.000 2.383 154 S HA -0.053 4.417 4.470 0.000 0.000 0.227 154 S C 1.652 176.276 174.600 0.039 0.000 1.026 154 S CA 2.247 60.474 58.200 0.046 0.000 0.981 154 S CB -0.378 62.858 63.200 0.059 0.000 0.818 154 S HN 0.625 nan 8.310 nan 0.000 0.472 155 D N 1.777 122.205 120.400 0.047 0.000 2.097 155 D HA -0.036 4.604 4.640 0.000 0.000 0.195 155 D C 2.098 178.421 176.300 0.038 0.000 0.989 155 D CA 1.856 55.885 54.000 0.049 0.000 0.827 155 D CB -0.851 39.988 40.800 0.065 0.000 0.966 155 D HN 0.409 nan 8.370 nan 0.000 0.456 156 T N -0.166 114.409 114.554 0.035 0.000 2.746 156 T HA -0.125 4.226 4.350 0.000 0.000 0.267 156 T C 1.959 176.587 174.700 -0.121 0.000 1.039 156 T CA 1.640 63.721 62.100 -0.032 0.000 1.142 156 T CB -0.561 68.287 68.868 -0.035 0.000 0.866 156 T HN 0.171 nan 8.240 nan 0.000 0.444 157 T N 2.109 116.621 114.554 -0.070 0.000 2.699 157 T HA -0.119 4.231 4.350 0.000 0.000 0.268 157 T C 2.366 177.023 174.700 -0.072 0.000 1.036 157 T CA 1.292 63.348 62.100 -0.073 0.000 1.147 157 T CB -0.567 68.290 68.868 -0.018 0.000 0.862 157 T HN 0.453 nan 8.240 nan 0.000 0.446 158 A N 0.848 123.648 122.820 -0.033 0.000 1.877 158 A HA -0.026 4.295 4.320 0.000 0.000 0.216 158 A C 2.615 180.176 177.584 -0.039 0.000 1.186 158 A CA 1.389 53.413 52.037 -0.022 0.000 0.620 158 A CB -0.941 18.065 19.000 0.009 0.000 0.822 158 A HN 0.363 nan 8.150 nan 0.000 0.443 159 V N -0.204 119.690 119.914 -0.033 0.000 2.379 159 V HA -0.182 3.939 4.120 0.000 0.000 0.245 159 V C 3.037 179.069 176.094 -0.104 0.000 1.044 159 V CA 1.755 64.043 62.300 -0.020 0.000 1.036 159 V CB -1.209 30.647 31.823 0.055 0.000 0.664 159 V HN 0.605 nan 8.190 nan 0.000 0.453 160 A N -0.189 122.514 122.820 -0.196 0.000 1.877 160 A HA -0.180 4.140 4.320 0.000 0.000 0.216 160 A C 2.239 179.666 177.584 -0.262 0.000 1.186 160 A CA 1.847 53.700 52.037 -0.306 0.000 0.620 160 A CB -0.598 18.192 19.000 -0.350 0.000 0.822 160 A HN 0.472 nan 8.150 nan 0.000 0.443 161 L N -0.732 120.382 121.223 -0.182 0.000 2.042 161 L HA -0.242 4.098 4.340 0.000 0.000 0.210 161 L C 3.094 179.881 176.870 -0.137 0.000 1.076 161 L CA 1.247 55.993 54.840 -0.155 0.000 0.749 161 L CB -0.415 41.573 42.059 -0.118 0.000 0.893 161 L HN 0.451 nan 8.230 nan 0.000 0.432 162 A N -0.468 122.289 122.820 -0.105 0.000 1.933 162 A HA -0.178 4.142 4.320 0.000 0.000 0.218 162 A C 2.482 180.009 177.584 -0.094 0.000 1.175 162 A CA 1.691 53.686 52.037 -0.070 0.000 0.628 162 A CB -0.721 18.265 19.000 -0.025 0.000 0.814 162 A HN 0.436 nan 8.150 nan 0.000 0.444 163 A N -0.037 122.682 122.820 -0.169 0.000 1.858 163 A HA 0.151 4.472 4.320 0.000 0.000 0.216 163 A C 2.547 179.977 177.584 -0.255 0.000 1.190 163 A CA 2.250 54.130 52.037 -0.262 0.000 0.617 163 A CB -1.150 17.454 19.000 -0.659 0.000 0.827 163 A HN 1.041 nan 8.150 nan 0.000 0.443 164 A N -0.387 122.267 122.820 -0.277 0.000 1.858 164 A HA -0.025 4.295 4.320 0.000 0.000 0.216 164 A C 2.051 179.554 177.584 -0.134 0.000 1.190 164 A CA 1.572 53.482 52.037 -0.211 0.000 0.617 164 A CB -0.679 18.197 19.000 -0.207 0.000 0.827 164 A HN 0.461 nan 8.150 nan 0.000 0.443 165 L N -1.023 120.129 121.223 -0.120 0.000 2.552 165 L HA 0.049 4.389 4.340 0.000 0.000 0.227 165 L C 0.844 177.680 176.870 -0.057 0.000 1.146 165 L CA 0.656 55.444 54.840 -0.086 0.000 0.858 165 L CB -0.669 41.338 42.059 -0.086 0.000 0.969 165 L HN 0.678 nan 8.230 nan 0.000 0.451 166 N N -0.322 118.344 118.700 -0.055 0.000 2.783 166 N HA -0.163 4.578 4.740 0.000 0.000 0.247 166 N C 0.234 175.737 175.510 -0.011 0.000 1.089 166 N CA 0.054 53.089 53.050 -0.025 0.000 0.690 166 N CB -0.248 38.229 38.487 -0.016 0.000 0.991 166 N HN 0.411 nan 8.380 nan 0.000 0.552 167 A N 0.015 122.826 122.820 -0.014 0.000 2.406 167 A HA 0.177 4.497 4.320 0.000 0.000 0.243 167 A C 0.883 178.476 177.584 0.016 0.000 1.082 167 A CA 0.380 52.416 52.037 -0.002 0.000 0.786 167 A CB 0.318 19.315 19.000 -0.005 0.000 1.029 167 A HN 0.458 nan 8.150 nan 0.000 0.495 168 D N -1.077 119.334 120.400 0.018 0.000 2.162 168 D HA 0.180 4.820 4.640 0.000 0.000 0.203 168 D C 0.288 176.607 176.300 0.030 0.000 0.967 168 D CA 1.698 55.713 54.000 0.024 0.000 0.840 168 D CB 0.219 41.030 40.800 0.020 0.000 0.972 168 D HN 0.280 nan 8.370 nan 0.000 0.482 169 V N -0.952 118.979 119.914 0.028 0.000 3.120 169 V HA 0.366 4.486 4.120 0.000 0.000 0.303 169 V C -1.854 174.258 176.094 0.029 0.000 1.238 169 V CA -1.131 61.187 62.300 0.030 0.000 1.008 169 V CB 2.177 34.010 31.823 0.016 0.000 1.064 169 V HN 0.119 nan 8.190 nan 0.000 0.434 170 C N 5.325 124.644 119.300 0.032 0.000 2.291 170 C HA 0.630 5.090 4.460 0.000 0.000 0.322 170 C C -0.018 174.971 174.990 -0.002 0.000 1.205 170 C CA -0.440 58.592 59.018 0.023 0.000 1.495 170 C CB -0.471 27.290 27.740 0.035 0.000 2.127 170 C HN 0.938 nan 8.230 nan 0.000 0.452 171 E N 5.140 125.332 120.200 -0.013 0.000 2.259 171 E HA 0.371 4.721 4.350 0.000 0.000 0.281 171 E C -0.386 176.139 176.600 -0.125 0.000 1.027 171 E CA -0.340 55.998 56.400 -0.103 0.000 0.838 171 E CB 1.082 30.733 29.700 -0.080 0.000 1.066 171 E HN 0.566 nan 8.360 nan 0.000 0.401 172 I N 3.872 124.316 120.570 -0.210 0.000 2.328 172 I HA 0.203 4.374 4.170 0.000 0.000 0.287 172 I C -0.609 175.358 176.117 -0.250 0.000 1.012 172 I CA -0.609 60.605 61.300 -0.142 0.000 1.195 172 I CB -0.266 37.696 38.000 -0.064 0.000 1.350 172 I HN 0.454 nan 8.210 nan 0.000 0.464 173 Y N 4.714 124.894 120.300 -0.200 0.000 2.323 173 Y HA 0.505 5.055 4.550 0.000 0.000 0.331 173 Y C 1.016 176.920 175.900 0.006 0.000 1.092 173 Y CA 0.187 58.201 58.100 -0.143 0.000 1.150 173 Y CB 1.746 39.988 38.460 -0.364 0.000 1.200 173 Y HN 0.717 nan 8.280 nan 0.000 0.472 174 S N -0.233 115.592 115.700 0.208 0.000 2.930 174 S HA 0.210 4.680 4.470 0.000 0.000 0.306 174 S C -0.263 174.524 174.600 0.312 0.000 1.238 174 S CA -0.307 58.029 58.200 0.226 0.000 1.000 174 S CB 0.680 63.965 63.200 0.141 0.000 1.342 174 S HN 0.529 nan 8.310 nan 0.000 0.575 175 D N 0.225 120.787 120.400 0.269 0.000 2.348 175 D HA 0.173 4.814 4.640 0.000 0.000 0.211 175 D C 0.344 176.715 176.300 0.118 0.000 0.998 175 D CA 0.059 54.183 54.000 0.206 0.000 0.873 175 D CB -0.319 40.492 40.800 0.018 0.000 0.925 175 D HN 0.313 nan 8.370 nan 0.000 0.524 176 V N 2.906 122.886 119.914 0.109 0.000 2.415 176 V HA 0.005 4.125 4.120 0.000 0.000 0.267 176 V C 1.035 177.192 176.094 0.105 0.000 1.042 176 V CA 0.068 62.425 62.300 0.094 0.000 1.000 176 V CB 0.779 32.649 31.823 0.079 0.000 1.015 176 V HN 0.324 nan 8.190 nan 0.000 0.478 177 D N 3.474 123.956 120.400 0.137 0.000 2.328 177 D HA 0.262 4.903 4.640 0.000 0.000 0.221 177 D C 0.506 176.857 176.300 0.085 0.000 1.072 177 D CA 0.720 54.791 54.000 0.119 0.000 0.850 177 D CB 1.092 41.978 40.800 0.143 0.000 0.922 177 D HN 0.673 nan 8.370 nan 0.000 0.516 178 G N -0.651 108.216 108.800 0.112 0.000 2.337 178 G HA2 0.247 4.207 3.960 0.000 0.000 0.298 178 G HA3 0.247 4.207 3.960 0.000 0.000 0.298 178 G C -1.786 173.145 174.900 0.051 0.000 1.335 178 G CA -0.626 44.466 45.100 -0.012 0.000 0.875 178 G HN 0.043 nan 8.290 nan 0.000 0.579 179 V N 0.640 120.514 119.914 -0.066 0.000 2.439 179 V HA 0.612 4.733 4.120 0.000 0.000 0.282 179 V C -0.607 175.437 176.094 -0.083 0.000 1.039 179 V CA -0.413 61.897 62.300 0.017 0.000 0.913 179 V CB 0.765 32.581 31.823 -0.010 0.000 0.983 179 V HN 0.600 nan 8.190 nan 0.000 0.460 180 Y N 1.421 121.728 120.300 0.011 0.000 2.528 180 Y HA 0.303 4.853 4.550 0.001 0.000 0.335 180 Y C 1.848 177.778 175.900 0.051 0.000 1.093 180 Y CA -0.407 57.709 58.100 0.026 0.000 1.134 180 Y CB 1.993 40.464 38.460 0.019 0.000 1.253 180 Y HN 0.757 nan 8.280 nan 0.000 0.478 181 T N -1.129 113.568 114.554 0.238 0.000 2.929 181 T HA 0.277 4.628 4.350 0.000 0.000 0.271 181 T C 0.509 175.387 174.700 0.297 0.000 1.085 181 T CA 0.986 63.231 62.100 0.243 0.000 1.125 181 T CB -0.151 68.910 68.868 0.322 0.000 0.874 181 T HN 0.706 nan 8.240 nan 0.000 0.494 182 A N 0.197 123.153 122.820 0.228 0.000 2.511 182 A HA 0.502 4.822 4.320 0.000 0.000 0.293 182 A C -1.642 175.955 177.584 0.021 0.000 1.098 182 A CA -0.736 51.362 52.037 0.102 0.000 0.643 182 A CB 0.261 19.269 19.000 0.014 0.000 1.302 182 A HN 0.102 nan 8.150 nan 0.000 0.446 183 D N 0.575 120.955 120.400 -0.032 0.000 2.412 183 D HA 0.253 4.893 4.640 0.000 0.000 0.257 183 D C -1.484 174.732 176.300 -0.139 0.000 1.217 183 D CA -1.194 52.753 54.000 -0.088 0.000 0.897 183 D CB 1.106 41.866 40.800 -0.067 0.000 1.132 183 D HN 0.072 nan 8.370 nan 0.000 0.493 184 P HA -0.164 nan 4.420 nan 0.000 0.218 184 P C 1.320 178.535 177.300 -0.142 0.000 1.148 184 P CA 1.260 64.240 63.100 -0.200 0.000 0.822 184 P CB 0.062 31.576 31.700 -0.310 0.000 0.784 185 R N -0.641 119.781 120.500 -0.129 0.000 2.093 185 R HA 0.002 4.342 4.340 0.000 0.000 0.224 185 R C 1.800 178.052 176.300 -0.081 0.000 1.101 185 R CA 1.322 57.366 56.100 -0.094 0.000 0.979 185 R CB -1.447 28.803 30.300 -0.082 0.000 0.877 185 R HN 0.151 nan 8.270 nan 0.000 0.441 186 I N 1.771 122.291 120.570 -0.084 0.000 2.233 186 I HA -0.087 4.083 4.170 0.000 0.000 0.243 186 I C 0.690 176.752 176.117 -0.091 0.000 1.093 186 I CA 0.892 62.148 61.300 -0.073 0.000 1.380 186 I CB 0.148 38.112 38.000 -0.060 0.000 1.067 186 I HN -0.113 nan 8.210 nan 0.000 0.413 187 V N 3.348 123.182 119.914 -0.133 0.000 2.313 187 V HA 0.226 4.346 4.120 0.000 0.000 0.278 187 V C -1.431 174.553 176.094 -0.184 0.000 1.017 187 V CA -1.102 61.079 62.300 -0.198 0.000 0.823 187 V CB 1.183 32.783 31.823 -0.371 0.000 1.010 187 V HN 0.122 nan 8.190 nan 0.000 0.443 188 P HA -0.081 nan 4.420 nan 0.000 0.221 188 P C 0.630 177.895 177.300 -0.058 0.000 1.150 188 P CA 1.036 64.090 63.100 -0.076 0.000 0.800 188 P CB 0.246 31.918 31.700 -0.047 0.000 0.787 189 N N 0.039 118.696 118.700 -0.071 0.000 2.383 189 N HA 0.183 4.924 4.740 0.000 0.000 0.192 189 N C 0.504 176.052 175.510 0.064 0.000 1.141 189 N CA -0.090 52.972 53.050 0.020 0.000 0.851 189 N CB -0.373 38.177 38.487 0.105 0.000 0.976 189 N HN 0.123 nan 8.380 nan 0.000 0.465 190 A N 0.739 123.513 122.820 -0.076 0.000 2.546 190 A HA 0.049 4.369 4.320 0.000 0.000 0.243 190 A C 0.208 177.920 177.584 0.214 0.000 1.063 190 A CA 0.248 52.312 52.037 0.046 0.000 0.757 190 A CB 0.208 19.195 19.000 -0.022 0.000 0.991 190 A HN 0.263 nan 8.150 nan 0.000 0.503 191 Q N 1.014 120.969 119.800 0.258 0.000 2.306 191 Q HA 0.324 4.664 4.340 0.000 0.000 0.265 191 Q C -0.347 175.676 176.000 0.038 0.000 1.022 191 Q CA -0.791 55.111 55.803 0.165 0.000 0.853 191 Q CB 2.245 31.035 28.738 0.088 0.000 1.327 191 Q HN 0.773 nan 8.270 nan 0.000 0.449 192 K N 2.004 122.250 120.400 -0.257 0.000 2.350 192 K HA 0.128 4.448 4.320 0.000 0.000 0.279 192 K C -0.852 175.553 176.600 -0.325 0.000 1.027 192 K CA -0.389 55.453 56.287 -0.741 0.000 0.969 192 K CB 0.447 32.452 32.500 -0.826 0.000 0.954 192 K HN 0.333 nan 8.250 nan 0.000 0.474 193 L N 3.825 124.877 121.223 -0.285 0.000 2.371 193 L HA 0.098 4.438 4.340 0.000 0.000 0.272 193 L C 1.525 178.303 176.870 -0.153 0.000 1.124 193 L CA 0.548 55.293 54.840 -0.159 0.000 0.816 193 L CB 1.292 43.282 42.059 -0.114 0.000 1.129 193 L HN 0.845 nan 8.230 nan 0.000 0.448 194 E N 2.245 122.378 120.200 -0.111 0.000 2.060 194 E HA -0.053 4.298 4.350 0.000 0.000 0.189 194 E C -0.191 176.352 176.600 -0.095 0.000 0.974 194 E CA 0.741 57.083 56.400 -0.096 0.000 0.808 194 E CB 0.501 30.157 29.700 -0.073 0.000 0.768 194 E HN 0.675 nan 8.360 nan 0.000 0.453 195 K N -0.208 120.136 120.400 -0.092 0.000 2.435 195 K HA 0.617 4.937 4.320 0.000 0.000 0.251 195 K C -1.261 175.276 176.600 -0.105 0.000 0.954 195 K CA -0.943 55.285 56.287 -0.100 0.000 0.820 195 K CB 2.352 34.801 32.500 -0.085 0.000 1.292 195 K HN -0.011 nan 8.250 nan 0.000 0.436 196 L N 0.692 121.835 121.223 -0.134 0.000 2.591 196 L HA 0.395 4.735 4.340 0.000 0.000 0.257 196 L C -1.098 175.653 176.870 -0.198 0.000 0.935 196 L CA -0.020 54.739 54.840 -0.134 0.000 0.873 196 L CB 2.426 44.416 42.059 -0.116 0.000 1.397 196 L HN 0.998 nan 8.230 nan 0.000 0.414 197 S N 1.935 117.542 115.700 -0.154 0.000 2.632 197 S HA 0.412 4.882 4.470 0.000 0.000 0.267 197 S C 1.135 175.630 174.600 -0.175 0.000 1.276 197 S CA -0.204 57.888 58.200 -0.180 0.000 0.998 197 S CB 0.377 63.541 63.200 -0.060 0.000 0.953 197 S HN 0.486 nan 8.310 nan 0.000 0.547 198 F N 0.785 120.730 119.950 -0.009 0.000 2.134 198 F HA -0.025 4.502 4.527 0.000 0.000 0.299 198 F C 2.549 178.341 175.800 -0.013 0.000 1.097 198 F CA 1.611 59.607 58.000 -0.007 0.000 1.264 198 F CB -0.423 38.575 39.000 -0.004 0.000 1.001 198 F HN 0.566 nan 8.300 nan 0.000 0.479 199 E N 0.298 120.598 120.200 0.166 0.000 2.072 199 E HA -0.171 4.179 4.350 0.000 0.000 0.191 199 E C 1.949 178.574 176.600 0.041 0.000 0.985 199 E CA 1.301 57.750 56.400 0.082 0.000 0.801 199 E CB -0.295 29.437 29.700 0.053 0.000 0.750 199 E HN 0.404 nan 8.360 nan 0.000 0.452 200 E N -0.133 120.079 120.200 0.020 0.000 2.110 200 E HA -0.221 4.129 4.350 0.000 0.000 0.193 200 E C 1.913 178.516 176.600 0.005 0.000 0.988 200 E CA 1.210 57.609 56.400 -0.002 0.000 0.804 200 E CB -0.100 29.586 29.700 -0.023 0.000 0.745 200 E HN 0.146 nan 8.360 nan 0.000 0.458 201 M N 0.509 120.116 119.600 0.012 0.000 2.067 201 M HA -0.151 4.329 4.480 0.000 0.000 0.260 201 M C 1.828 178.151 176.300 0.037 0.000 1.069 201 M CA 1.327 56.640 55.300 0.022 0.000 1.117 201 M CB -0.230 32.387 32.600 0.029 0.000 1.334 201 M HN 0.057 nan 8.290 nan 0.000 0.407 202 L N 0.591 121.845 121.223 0.053 0.000 2.013 202 L HA -0.228 4.112 4.340 0.000 0.000 0.212 202 L C 2.482 179.365 176.870 0.021 0.000 1.073 202 L CA 1.908 56.772 54.840 0.040 0.000 0.753 202 L CB -1.534 40.548 42.059 0.038 0.000 0.890 202 L HN 0.380 nan 8.230 nan 0.000 0.432 203 E N -0.655 119.554 120.200 0.015 0.000 2.051 203 E HA -0.192 4.158 4.350 0.000 0.000 0.192 203 E C 2.427 179.032 176.600 0.009 0.000 0.991 203 E CA 0.898 57.301 56.400 0.005 0.000 0.799 203 E CB -0.355 29.343 29.700 -0.004 0.000 0.748 203 E HN 0.430 nan 8.360 nan 0.000 0.449 204 L N 0.516 121.747 121.223 0.014 0.000 2.012 204 L HA -0.211 4.129 4.340 0.000 0.000 0.210 204 L C 2.540 179.426 176.870 0.027 0.000 1.073 204 L CA 1.342 56.195 54.840 0.022 0.000 0.748 204 L CB -0.478 41.596 42.059 0.025 0.000 0.891 204 L HN 0.092 nan 8.230 nan 0.000 0.431 205 A N -0.391 122.445 122.820 0.028 0.000 1.930 205 A HA -0.137 4.184 4.320 0.000 0.000 0.217 205 A C 2.460 180.058 177.584 0.024 0.000 1.175 205 A CA 1.515 53.570 52.037 0.030 0.000 0.627 205 A CB -0.629 18.391 19.000 0.033 0.000 0.815 205 A HN 0.434 nan 8.150 nan 0.000 0.443 206 A N -0.344 122.487 122.820 0.018 0.000 2.019 206 A HA 0.068 4.388 4.320 0.000 0.000 0.219 206 A C 1.741 179.333 177.584 0.014 0.000 1.164 206 A CA 1.958 54.002 52.037 0.012 0.000 0.644 206 A CB -0.653 18.349 19.000 0.004 0.000 0.805 206 A HN 1.255 nan 8.150 nan 0.000 0.449 207 V N -4.922 115.002 119.914 0.017 0.000 3.166 207 V HA 0.672 4.793 4.120 0.000 0.000 0.332 207 V C 0.518 176.628 176.094 0.027 0.000 1.434 207 V CA 0.246 62.558 62.300 0.020 0.000 1.121 207 V CB -0.372 31.461 31.823 0.017 0.000 1.062 207 V HN 0.580 nan 8.190 nan 0.000 0.489 208 G N -0.157 108.659 108.800 0.028 0.000 2.947 208 G HA2 0.526 4.486 3.960 0.000 0.000 0.293 208 G HA3 0.526 4.486 3.960 0.000 0.000 0.293 208 G C -0.889 174.028 174.900 0.028 0.000 1.243 208 G CA -0.270 44.848 45.100 0.030 0.000 0.802 208 G HN 0.194 nan 8.290 nan 0.000 0.560 209 S N 0.409 116.126 115.700 0.027 0.000 2.562 209 S HA 0.260 4.730 4.470 0.000 0.000 0.281 209 S C -0.099 174.520 174.600 0.032 0.000 1.333 209 S CA -0.096 58.120 58.200 0.026 0.000 1.052 209 S CB 0.842 64.055 63.200 0.021 0.000 0.884 209 S HN 0.373 nan 8.310 nan 0.000 0.506 210 K N 1.997 122.416 120.400 0.032 0.000 2.231 210 K HA 0.291 4.611 4.320 0.000 0.000 0.275 210 K C 1.281 177.904 176.600 0.039 0.000 1.105 210 K CA -0.176 56.132 56.287 0.035 0.000 0.931 210 K CB 0.190 32.711 32.500 0.035 0.000 1.296 210 K HN 0.653 nan 8.250 nan 0.000 0.446 211 I N 2.450 123.045 120.570 0.043 0.000 2.567 211 I HA -0.115 4.055 4.170 0.000 0.000 0.257 211 I C 0.641 176.784 176.117 0.044 0.000 1.184 211 I CA 1.286 62.613 61.300 0.046 0.000 1.451 211 I CB -1.042 36.988 38.000 0.050 0.000 1.089 211 I HN 0.491 nan 8.210 nan 0.000 0.441 212 L N -4.359 116.890 121.223 0.044 0.000 2.892 212 L HA 0.726 5.067 4.340 0.000 0.000 0.269 212 L C -0.534 176.367 176.870 0.052 0.000 1.058 212 L CA -1.806 53.062 54.840 0.048 0.000 0.923 212 L CB 0.692 42.778 42.059 0.046 0.000 1.518 212 L HN -0.198 nan 8.230 nan 0.000 0.402 213 V N 2.549 122.498 119.914 0.059 0.000 2.446 213 V HA 0.070 4.190 4.120 0.000 0.000 0.276 213 V C 1.506 177.641 176.094 0.067 0.000 1.030 213 V CA -0.179 62.159 62.300 0.064 0.000 1.033 213 V CB 0.494 32.362 31.823 0.075 0.000 0.993 213 V HN 0.724 nan 8.190 nan 0.000 0.477 214 L N 5.356 126.610 121.223 0.051 0.000 2.012 214 L HA -0.143 4.197 4.340 0.000 0.000 0.210 214 L C 2.418 179.306 176.870 0.031 0.000 1.073 214 L CA 1.725 56.588 54.840 0.038 0.000 0.748 214 L CB -1.073 40.997 42.059 0.018 0.000 0.891 214 L HN 0.579 nan 8.230 nan 0.000 0.431 215 R N -0.142 120.377 120.500 0.031 0.000 2.113 215 R HA -0.198 4.142 4.340 0.000 0.000 0.244 215 R C 2.563 178.929 176.300 0.110 0.000 1.142 215 R CA 1.755 57.860 56.100 0.009 0.000 0.953 215 R CB -1.042 29.307 30.300 0.083 0.000 0.860 215 R HN 0.626 nan 8.270 nan 0.000 0.438 216 S N -0.369 115.454 115.700 0.206 0.000 2.383 216 S HA -0.089 4.381 4.470 0.000 0.000 0.227 216 S C 2.068 176.787 174.600 0.199 0.000 1.026 216 S CA 1.297 59.660 58.200 0.272 0.000 0.981 216 S CB -0.501 62.799 63.200 0.167 0.000 0.818 216 S HN 0.085 nan 8.310 nan 0.000 0.472 217 V N 2.055 122.046 119.914 0.129 0.000 2.427 217 V HA -0.079 4.041 4.120 0.000 0.000 0.248 217 V C 2.862 178.990 176.094 0.057 0.000 1.051 217 V CA 2.058 64.434 62.300 0.127 0.000 1.048 217 V CB -0.948 30.949 31.823 0.124 0.000 0.666 217 V HN 0.521 nan 8.190 nan 0.000 0.456 218 E N -0.084 120.110 120.200 -0.010 0.000 2.106 218 E HA -0.194 4.157 4.350 0.000 0.000 0.192 218 E C 1.990 178.507 176.600 -0.139 0.000 0.984 218 E CA 1.561 57.891 56.400 -0.116 0.000 0.806 218 E CB -0.463 29.127 29.700 -0.184 0.000 0.750 218 E HN 0.683 nan 8.360 nan 0.000 0.458 219 Y N 0.041 120.342 120.300 0.002 0.000 2.181 219 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 219 Y C 2.363 178.300 175.900 0.061 0.000 1.146 219 Y CA 1.074 59.219 58.100 0.075 0.000 1.164 219 Y CB -0.440 38.086 38.460 0.110 0.000 0.982 219 Y HN 0.184 nan 8.280 nan 0.000 0.515 220 A N 0.340 123.246 122.820 0.143 0.000 1.908 220 A HA -0.271 4.049 4.320 0.000 0.000 0.218 220 A C 2.211 179.514 177.584 -0.468 0.000 1.181 220 A CA 2.042 54.073 52.037 -0.010 0.000 0.627 220 A CB -0.766 18.303 19.000 0.115 0.000 0.818 220 A HN 0.478 nan 8.150 nan 0.000 0.445 221 R N -0.442 119.667 120.500 -0.653 0.000 2.066 221 R HA -0.045 4.295 4.340 0.000 0.000 0.232 221 R C 2.210 178.179 176.300 -0.552 0.000 1.131 221 R CA 1.469 56.957 56.100 -1.020 0.000 0.955 221 R CB -0.422 29.578 30.300 -0.500 0.000 0.851 221 R HN 0.400 nan 8.270 nan 0.000 0.432 222 A N -0.457 122.156 122.820 -0.344 0.000 2.067 222 A HA -0.049 4.272 4.320 0.000 0.000 0.219 222 A C 1.308 178.619 177.584 -0.455 0.000 1.158 222 A CA 0.819 52.631 52.037 -0.373 0.000 0.661 222 A CB -0.209 18.544 19.000 -0.412 0.000 0.801 222 A HN 0.409 nan 8.150 nan 0.000 0.452 223 F N -1.358 118.512 119.950 -0.134 0.000 2.678 223 F HA 0.234 4.761 4.527 0.000 0.000 0.305 223 F C 0.830 176.579 175.800 -0.085 0.000 1.090 223 F CA -0.163 57.790 58.000 -0.078 0.000 1.272 223 F CB -0.198 38.780 39.000 -0.036 0.000 1.060 223 F HN 0.307 nan 8.300 nan 0.000 0.576 224 N N 0.923 119.600 118.700 -0.039 0.000 2.738 224 N HA -0.208 4.532 4.740 0.000 0.000 0.249 224 N C -0.774 174.816 175.510 0.133 0.000 1.047 224 N CA 0.537 53.596 53.050 0.015 0.000 0.707 224 N CB -1.008 37.520 38.487 0.068 0.000 0.937 224 N HN 0.123 nan 8.380 nan 0.000 0.545 225 V N 1.192 121.182 119.914 0.127 0.000 2.333 225 V HA 0.651 4.771 4.120 0.000 0.000 0.274 225 V C -2.107 174.193 176.094 0.343 0.000 1.028 225 V CA -1.804 60.605 62.300 0.180 0.000 0.851 225 V CB 1.289 33.178 31.823 0.110 0.000 1.000 225 V HN 0.184 nan 8.190 nan 0.000 0.456 226 P HA 0.276 nan 4.420 nan 0.000 0.276 226 P C -0.702 176.678 177.300 0.134 0.000 1.230 226 P CA -0.022 63.212 63.100 0.222 0.000 0.776 226 P CB 1.080 32.829 31.700 0.081 0.000 0.888 227 L N 3.259 124.545 121.223 0.106 0.000 2.352 227 L HA 0.608 4.948 4.340 0.000 0.000 0.269 227 L C 0.952 177.804 176.870 -0.030 0.000 1.034 227 L CA -0.866 54.005 54.840 0.051 0.000 0.806 227 L CB 1.326 43.437 42.059 0.087 0.000 1.244 227 L HN 0.339 nan 8.230 nan 0.000 0.447 228 R N 0.797 121.260 120.500 -0.062 0.000 2.502 228 R HA 0.500 4.840 4.340 0.000 0.000 0.298 228 R C -1.727 174.479 176.300 -0.156 0.000 1.018 228 R CA -0.522 55.512 56.100 -0.109 0.000 0.899 228 R CB 1.868 32.097 30.300 -0.119 0.000 1.181 228 R HN 0.409 nan 8.270 nan 0.000 0.444 229 V N 6.256 126.092 119.914 -0.129 0.000 2.385 229 V HA 0.446 4.566 4.120 0.000 0.000 0.269 229 V C 0.183 176.182 176.094 -0.158 0.000 1.043 229 V CA -0.087 62.136 62.300 -0.128 0.000 0.906 229 V CB 0.733 32.519 31.823 -0.062 0.000 0.995 229 V HN 0.810 nan 8.190 nan 0.000 0.467 230 R N 2.704 123.060 120.500 -0.239 0.000 2.795 230 R HA 0.730 5.070 4.340 0.000 0.000 0.268 230 R C -0.945 175.279 176.300 -0.127 0.000 1.041 230 R CA -0.736 55.239 56.100 -0.208 0.000 0.927 230 R CB 1.765 31.884 30.300 -0.302 0.000 1.235 230 R HN 0.450 nan 8.270 nan 0.000 0.463 231 S N -0.347 115.370 115.700 0.029 0.000 2.489 231 S HA 0.185 4.655 4.470 0.000 0.000 0.291 231 S C 0.590 175.383 174.600 0.321 0.000 1.151 231 S CA -0.396 57.925 58.200 0.203 0.000 1.082 231 S CB 1.245 64.584 63.200 0.232 0.000 1.019 231 S HN 0.651 nan 8.310 nan 0.000 0.492 232 S N 3.766 119.694 115.700 0.381 0.000 2.603 232 S HA 0.110 4.580 4.470 0.000 0.000 0.220 232 S C 0.690 175.242 174.600 -0.080 0.000 0.967 232 S CA 0.073 58.413 58.200 0.233 0.000 0.920 232 S CB -0.477 62.807 63.200 0.139 0.000 0.773 232 S HN 0.822 nan 8.310 nan 0.000 0.529 233 Y N 2.491 122.881 120.300 0.150 0.000 2.500 233 Y HA 0.282 4.832 4.550 0.000 0.000 0.284 233 Y C 1.746 177.697 175.900 0.086 0.000 1.118 233 Y CA 0.222 58.380 58.100 0.098 0.000 1.241 233 Y CB -0.062 38.446 38.460 0.079 0.000 1.171 233 Y HN 0.398 nan 8.280 nan 0.000 0.540 234 S N -0.440 115.407 115.700 0.245 0.000 2.745 234 S HA 0.247 4.718 4.470 0.000 0.000 0.292 234 S C 0.053 174.733 174.600 0.133 0.000 1.133 234 S CA -0.731 57.564 58.200 0.158 0.000 0.998 234 S CB 1.119 64.399 63.200 0.133 0.000 1.087 234 S HN 0.339 nan 8.310 nan 0.000 0.551 235 N N 0.284 119.044 118.700 0.099 0.000 2.268 235 N HA 0.095 4.835 4.740 0.000 0.000 0.204 235 N C -0.601 174.951 175.510 0.069 0.000 1.124 235 N CA -0.106 52.996 53.050 0.087 0.000 0.838 235 N CB 0.152 38.679 38.487 0.066 0.000 0.994 235 N HN 0.648 nan 8.380 nan 0.000 0.489 236 D N 2.108 122.548 120.400 0.067 0.000 2.425 236 D HA -0.002 4.638 4.640 0.000 0.000 0.247 236 D C -1.332 174.980 176.300 0.020 0.000 1.147 236 D CA -1.394 52.630 54.000 0.040 0.000 0.879 236 D CB 1.384 42.210 40.800 0.043 0.000 1.179 236 D HN 0.129 nan 8.370 nan 0.000 0.456 237 P HA 0.034 nan 4.420 nan 0.000 0.226 237 P C 0.907 178.171 177.300 -0.061 0.000 1.153 237 P CA 0.739 63.825 63.100 -0.023 0.000 0.777 237 P CB 0.207 31.894 31.700 -0.021 0.000 0.794 238 G N -0.411 108.353 108.800 -0.061 0.000 2.525 238 G HA2 -0.176 3.784 3.960 0.000 0.000 0.248 238 G HA3 -0.176 3.784 3.960 0.000 0.000 0.248 238 G C -0.677 174.158 174.900 -0.107 0.000 1.238 238 G CA -0.033 45.015 45.100 -0.087 0.000 0.926 238 G HN 0.298 nan 8.290 nan 0.000 0.574 239 T N 0.774 115.259 114.554 -0.115 0.000 2.807 239 T HA 0.555 4.905 4.350 0.000 0.000 0.279 239 T C -0.147 174.487 174.700 -0.109 0.000 0.993 239 T CA -0.219 61.810 62.100 -0.118 0.000 0.970 239 T CB 1.805 70.599 68.868 -0.123 0.000 0.950 239 T HN 0.935 nan 8.240 nan 0.000 0.441 240 L N 4.327 125.485 121.223 -0.109 0.000 2.305 240 L HA 0.587 4.928 4.340 0.000 0.000 0.281 240 L C -0.940 175.838 176.870 -0.154 0.000 1.085 240 L CA -0.228 54.542 54.840 -0.116 0.000 0.813 240 L CB 0.273 42.270 42.059 -0.104 0.000 1.157 240 L HN 0.614 nan 8.230 nan 0.000 0.436 241 I N 5.911 126.369 120.570 -0.185 0.000 2.359 241 I HA 0.707 4.877 4.170 0.000 0.000 0.284 241 I C -0.295 175.481 176.117 -0.569 0.000 1.018 241 I CA -0.218 60.892 61.300 -0.316 0.000 1.173 241 I CB 1.140 39.016 38.000 -0.206 0.000 1.326 241 I HN 0.788 nan 8.210 nan 0.000 0.462 242 A N 4.667 127.067 122.820 -0.699 0.000 2.589 242 A HA 0.860 5.180 4.320 0.000 0.000 0.296 242 A C -0.241 177.046 177.584 -0.494 0.000 1.062 242 A CA -0.137 51.509 52.037 -0.652 0.000 0.686 242 A CB 1.450 20.305 19.000 -0.242 0.000 1.282 242 A HN 1.147 nan 8.150 nan 0.000 0.404 243 G N 0.082 108.754 108.800 -0.214 0.000 2.728 243 G HA2 0.320 4.280 3.960 0.000 0.000 0.686 243 G HA3 0.320 4.280 3.960 0.000 0.000 0.686 243 G C 0.087 175.058 174.900 0.120 0.000 1.337 243 G CA 0.126 45.244 45.100 0.031 0.000 0.861 243 G HN 2.072 nan 8.290 nan 0.000 0.597 244 S N 1.384 117.200 115.700 0.192 0.000 2.584 244 S HA 0.436 4.906 4.470 0.000 0.000 0.273 244 S C 1.847 176.492 174.600 0.075 0.000 1.311 244 S CA 0.440 58.745 58.200 0.174 0.000 1.034 244 S CB 0.886 64.160 63.200 0.122 0.000 0.939 244 S HN 1.249 nan 8.310 nan 0.000 0.513 245 M N 3.369 123.006 119.600 0.062 0.000 2.213 245 M HA -0.082 4.399 4.480 0.000 0.000 0.263 245 M C 1.114 177.426 176.300 0.021 0.000 1.062 245 M CA 1.768 57.084 55.300 0.027 0.000 1.105 245 M CB -0.393 32.220 32.600 0.023 0.000 1.385 245 M HN 0.681 nan 8.290 nan 0.000 0.417 246 E N 0.538 120.753 120.200 0.025 0.000 2.268 246 E HA -0.121 4.229 4.350 0.000 0.000 0.195 246 E C 0.436 177.044 176.600 0.013 0.000 0.995 246 E CA 0.872 57.280 56.400 0.013 0.000 0.836 246 E CB -0.223 29.483 29.700 0.009 0.000 0.763 246 E HN 0.633 nan 8.360 nan 0.000 0.491 247 D N 0.792 121.205 120.400 0.021 0.000 2.587 247 D HA 0.148 4.788 4.640 0.000 0.000 0.233 247 D C 0.279 176.586 176.300 0.013 0.000 1.213 247 D CA 0.031 54.042 54.000 0.018 0.000 0.827 247 D CB 0.135 40.951 40.800 0.027 0.000 1.006 247 D HN 0.246 nan 8.370 nan 0.000 0.490 248 I N -2.500 118.075 120.570 0.010 0.000 2.533 248 I HA 0.501 4.671 4.170 0.000 0.000 0.290 248 I C -2.725 173.397 176.117 0.009 0.000 1.056 248 I CA -2.376 58.928 61.300 0.006 0.000 1.057 248 I CB 1.868 39.868 38.000 0.001 0.000 1.240 248 I HN -0.387 nan 8.210 nan 0.000 0.423 249 P HA -0.058 nan 4.420 nan 0.000 0.267 249 P C 1.090 178.405 177.300 0.025 0.000 1.195 249 P CA -0.334 62.773 63.100 0.013 0.000 0.773 249 P CB 0.817 32.524 31.700 0.012 0.000 0.837 250 V N -0.056 119.874 119.914 0.026 0.000 2.719 250 V HA -0.132 3.989 4.120 0.000 0.000 0.252 250 V C 1.854 178.023 176.094 0.126 0.000 1.065 250 V CA 1.888 64.220 62.300 0.052 0.000 1.086 250 V CB -1.079 30.734 31.823 -0.017 0.000 0.700 250 V HN 0.452 nan 8.190 nan 0.000 0.467 251 E N 1.275 121.525 120.200 0.084 0.000 2.274 251 E HA -0.134 4.216 4.350 0.000 0.000 0.194 251 E C 1.955 178.590 176.600 0.058 0.000 0.996 251 E CA 1.555 58.010 56.400 0.091 0.000 0.840 251 E CB -0.274 29.459 29.700 0.054 0.000 0.772 251 E HN 0.824 nan 8.360 nan 0.000 0.491 252 E N -0.404 119.821 120.200 0.042 0.000 2.481 252 E HA 0.250 4.600 4.350 0.000 0.000 0.198 252 E C -0.202 176.406 176.600 0.013 0.000 1.027 252 E CA 0.091 56.501 56.400 0.018 0.000 0.900 252 E CB 0.738 30.443 29.700 0.009 0.000 0.993 252 E HN 0.199 nan 8.360 nan 0.000 0.482 253 A N 1.805 124.647 122.820 0.037 0.000 2.409 253 A HA 0.384 4.704 4.320 0.000 0.000 0.262 253 A C 0.308 177.885 177.584 -0.012 0.000 1.113 253 A CA -0.407 51.645 52.037 0.025 0.000 0.790 253 A CB 0.243 19.283 19.000 0.066 0.000 1.046 253 A HN 0.086 nan 8.150 nan 0.000 0.496 254 V N 0.776 120.669 119.914 -0.034 0.000 3.126 254 V HA 0.712 4.832 4.120 0.000 0.000 0.314 254 V C -0.477 175.573 176.094 -0.074 0.000 1.138 254 V CA -1.384 60.880 62.300 -0.060 0.000 1.034 254 V CB 1.378 33.170 31.823 -0.051 0.000 1.075 254 V HN 0.613 nan 8.190 nan 0.000 0.442 255 L N 1.670 122.835 121.223 -0.097 0.000 2.349 255 L HA 0.471 4.811 4.340 0.000 0.000 0.275 255 L C 1.280 178.095 176.870 -0.091 0.000 1.115 255 L CA 0.630 55.393 54.840 -0.129 0.000 0.820 255 L CB 0.668 42.602 42.059 -0.209 0.000 1.135 255 L HN 1.027 nan 8.230 nan 0.000 0.445 256 T N 0.900 115.406 114.554 -0.080 0.000 3.021 256 T HA 0.419 4.769 4.350 0.000 0.000 0.245 256 T C 0.640 175.324 174.700 -0.027 0.000 1.028 256 T CA 0.611 62.680 62.100 -0.050 0.000 1.139 256 T CB 0.740 69.583 68.868 -0.042 0.000 0.884 256 T HN 0.803 nan 8.240 nan 0.000 0.457 257 G N 0.042 108.831 108.800 -0.019 0.000 2.313 257 G HA2 0.448 4.408 3.960 0.000 0.000 0.296 257 G HA3 0.448 4.408 3.960 0.000 0.000 0.296 257 G C -2.111 172.826 174.900 0.060 0.000 1.356 257 G CA -0.752 44.371 45.100 0.039 0.000 0.833 257 G HN 0.101 nan 8.290 nan 0.000 0.552 258 V N -0.056 119.934 119.914 0.127 0.000 2.667 258 V HA 0.894 5.014 4.120 0.000 0.000 0.308 258 V C 0.495 176.652 176.094 0.104 0.000 1.048 258 V CA 0.091 62.467 62.300 0.126 0.000 0.928 258 V CB 1.434 33.357 31.823 0.167 0.000 1.004 258 V HN 1.778 nan 8.190 nan 0.000 0.444 259 A N 2.445 125.318 122.820 0.087 0.000 2.498 259 A HA 0.965 5.286 4.320 0.000 0.000 0.298 259 A C -0.319 177.301 177.584 0.060 0.000 1.075 259 A CA -0.395 51.681 52.037 0.066 0.000 0.714 259 A CB 2.132 21.165 19.000 0.055 0.000 1.299 259 A HN 0.944 nan 8.150 nan 0.000 0.407 260 T N -1.291 113.289 114.554 0.043 0.000 2.906 260 T HA 0.756 5.107 4.350 0.000 0.000 0.295 260 T C -1.641 173.074 174.700 0.025 0.000 1.075 260 T CA -0.582 61.538 62.100 0.034 0.000 1.005 260 T CB 2.095 70.976 68.868 0.022 0.000 1.136 260 T HN 0.606 nan 8.240 nan 0.000 0.498 261 D N 0.369 120.781 120.400 0.021 0.000 2.738 261 D HA 0.238 4.878 4.640 0.000 0.000 0.218 261 D C -0.257 176.047 176.300 0.007 0.000 1.345 261 D CA -0.645 53.364 54.000 0.015 0.000 0.943 261 D CB 1.550 42.360 40.800 0.018 0.000 1.514 261 D HN 0.822 nan 8.370 nan 0.000 0.585 262 K N 0.997 121.399 120.400 0.002 0.000 2.537 262 K HA 0.208 4.528 4.320 0.000 0.000 0.206 262 K C 0.481 177.078 176.600 -0.006 0.000 1.041 262 K CA -0.320 55.963 56.287 -0.005 0.000 1.090 262 K CB 0.346 32.842 32.500 -0.007 0.000 0.833 262 K HN 0.100 nan 8.250 nan 0.000 0.493 263 S N 0.242 115.942 115.700 0.000 0.000 2.557 263 S HA 0.051 4.521 4.470 0.000 0.000 0.223 263 S C -0.084 174.520 174.600 0.007 0.000 0.969 263 S CA -0.675 57.528 58.200 0.006 0.000 0.927 263 S CB -0.285 62.923 63.200 0.013 0.000 0.806 263 S HN 0.478 nan 8.310 nan 0.000 0.489 264 E N 0.275 120.473 120.200 -0.005 0.000 2.392 264 E HA 0.789 5.139 4.350 0.000 0.000 0.269 264 E C -0.922 175.650 176.600 -0.047 0.000 0.924 264 E CA -1.427 54.969 56.400 -0.007 0.000 0.784 264 E CB 1.792 31.495 29.700 0.004 0.000 1.292 264 E HN 0.141 nan 8.360 nan 0.000 0.447 265 A N 1.173 123.959 122.820 -0.057 0.000 2.299 265 A HA 0.606 4.927 4.320 0.000 0.000 0.332 265 A C -0.649 176.830 177.584 -0.174 0.000 1.131 265 A CA -0.810 51.136 52.037 -0.152 0.000 0.844 265 A CB 0.919 19.838 19.000 -0.135 0.000 1.251 265 A HN 0.664 nan 8.150 nan 0.000 0.486 266 K N 0.060 120.306 120.400 -0.256 0.000 2.378 266 K HA 0.721 5.041 4.320 0.000 0.000 0.252 266 K C -1.632 174.756 176.600 -0.354 0.000 0.931 266 K CA -0.618 55.491 56.287 -0.296 0.000 0.794 266 K CB 2.040 34.415 32.500 -0.208 0.000 1.181 266 K HN 0.281 nan 8.250 nan 0.000 0.425 267 V N 1.982 121.543 119.914 -0.589 0.000 2.628 267 V HA 0.460 4.580 4.120 0.000 0.000 0.306 267 V C -0.641 175.207 176.094 -0.410 0.000 1.045 267 V CA -0.655 61.354 62.300 -0.486 0.000 0.905 267 V CB 2.014 33.468 31.823 -0.614 0.000 0.997 267 V HN 0.952 nan 8.190 nan 0.000 0.436 268 T N 3.243 117.682 114.554 -0.192 0.000 2.847 268 T HA 0.432 4.782 4.350 0.000 0.000 0.291 268 T C -0.527 174.104 174.700 -0.116 0.000 0.998 268 T CA -0.313 61.714 62.100 -0.121 0.000 0.967 268 T CB 1.506 70.324 68.868 -0.085 0.000 0.954 268 T HN 0.338 nan 8.240 nan 0.000 0.441 269 V N 5.593 125.408 119.914 -0.165 0.000 2.406 269 V HA 0.370 4.490 4.120 0.000 0.000 0.272 269 V C 0.044 176.037 176.094 -0.167 0.000 1.043 269 V CA -0.556 61.559 62.300 -0.308 0.000 0.915 269 V CB 0.686 32.106 31.823 -0.672 0.000 0.988 269 V HN 0.711 nan 8.190 nan 0.000 0.466 270 L N 4.347 125.527 121.223 -0.072 0.000 2.289 270 L HA 0.672 5.012 4.340 0.000 0.000 0.285 270 L C 1.045 177.961 176.870 0.076 0.000 1.049 270 L CA -0.127 54.717 54.840 0.007 0.000 0.804 270 L CB 1.411 43.485 42.059 0.026 0.000 1.195 270 L HN 0.894 nan 8.230 nan 0.000 0.428 271 G N 3.899 112.742 108.800 0.072 0.000 2.291 271 G HA2 -0.221 3.739 3.960 0.000 0.000 0.271 271 G HA3 -0.221 3.739 3.960 0.000 0.000 0.271 271 G C -0.207 174.788 174.900 0.159 0.000 1.099 271 G CA -0.507 44.655 45.100 0.103 0.000 0.919 271 G HN 0.486 nan 8.290 nan 0.000 0.496 272 I N 0.787 121.442 120.570 0.142 0.000 2.416 272 I HA 0.236 4.407 4.170 0.000 0.000 0.288 272 I C 1.090 177.286 176.117 0.131 0.000 1.051 272 I CA -0.401 61.017 61.300 0.196 0.000 1.375 272 I CB 1.286 39.371 38.000 0.142 0.000 1.407 272 I HN 0.137 nan 8.210 nan 0.000 0.516 273 S N 3.943 119.719 115.700 0.128 0.000 2.537 273 S HA -0.062 4.408 4.470 0.000 0.000 0.286 273 S C 0.341 174.986 174.600 0.075 0.000 1.299 273 S CA -0.092 58.157 58.200 0.082 0.000 1.067 273 S CB 0.146 63.383 63.200 0.063 0.000 0.864 273 S HN 0.556 nan 8.310 nan 0.000 0.494 274 D N 3.068 123.503 120.400 0.057 0.000 2.713 274 D HA 0.165 4.805 4.640 0.000 0.000 0.229 274 D C 0.070 176.396 176.300 0.043 0.000 1.136 274 D CA -0.321 53.709 54.000 0.050 0.000 1.010 274 D CB -0.365 40.460 40.800 0.040 0.000 1.084 274 D HN 0.532 nan 8.370 nan 0.000 0.495 275 K N 0.360 120.788 120.400 0.047 0.000 2.480 275 K HA 0.697 5.018 4.320 0.000 0.000 0.258 275 K C -2.931 173.695 176.600 0.044 0.000 0.990 275 K CA -2.038 54.272 56.287 0.039 0.000 0.857 275 K CB 0.917 33.436 32.500 0.033 0.000 1.384 275 K HN -0.214 nan 8.250 nan 0.000 0.446 276 P HA 0.027 nan 4.420 nan 0.000 0.265 276 P C 0.522 177.848 177.300 0.044 0.000 1.187 276 P CA 1.407 64.529 63.100 0.037 0.000 0.766 276 P CB 0.420 32.136 31.700 0.027 0.000 0.820 277 G N 1.899 110.730 108.800 0.052 0.000 2.195 277 G HA2 -0.243 3.717 3.960 0.000 0.000 0.246 277 G HA3 -0.243 3.717 3.960 0.000 0.000 0.246 277 G C 1.093 176.043 174.900 0.082 0.000 0.984 277 G CA -0.044 45.091 45.100 0.059 0.000 0.633 277 G HN 0.511 nan 8.290 nan 0.000 0.525 278 E N 0.371 120.629 120.200 0.096 0.000 2.051 278 E HA 0.132 4.482 4.350 0.000 0.000 0.189 278 E C 2.914 179.604 176.600 0.150 0.000 0.979 278 E CA 1.218 57.702 56.400 0.140 0.000 0.803 278 E CB -0.553 29.233 29.700 0.143 0.000 0.761 278 E HN 0.775 nan 8.360 nan 0.000 0.451 279 A N 1.776 124.673 122.820 0.128 0.000 1.940 279 A HA -0.147 4.173 4.320 0.000 0.000 0.219 279 A C 2.421 180.126 177.584 0.203 0.000 1.176 279 A CA 2.067 54.201 52.037 0.162 0.000 0.631 279 A CB -0.568 18.564 19.000 0.220 0.000 0.814 279 A HN 0.260 nan 8.150 nan 0.000 0.446 280 A N -0.124 122.793 122.820 0.161 0.000 1.908 280 A HA -0.195 4.125 4.320 0.000 0.000 0.218 280 A C 2.112 179.765 177.584 0.114 0.000 1.181 280 A CA 1.840 53.962 52.037 0.141 0.000 0.627 280 A CB -0.463 18.593 19.000 0.093 0.000 0.818 280 A HN 0.552 nan 8.150 nan 0.000 0.445 281 K N -0.419 120.051 120.400 0.117 0.000 2.063 281 K HA -0.111 4.209 4.320 0.000 0.000 0.208 281 K C 1.930 178.612 176.600 0.137 0.000 1.048 281 K CA 1.542 57.912 56.287 0.138 0.000 0.928 281 K CB -0.466 32.148 32.500 0.190 0.000 0.713 281 K HN 0.358 nan 8.250 nan 0.000 0.442 282 V N 0.638 120.561 119.914 0.015 0.000 2.261 282 V HA -0.227 3.893 4.120 0.000 0.000 0.246 282 V C 1.975 177.800 176.094 -0.449 0.000 1.047 282 V CA 1.843 63.928 62.300 -0.357 0.000 1.015 282 V CB -0.523 30.760 31.823 -0.899 0.000 0.642 282 V HN 0.192 nan 8.190 nan 0.000 0.446 283 F N -0.446 119.445 119.950 -0.097 0.000 2.664 283 F HA 0.088 4.615 4.527 0.001 0.000 0.296 283 F C 2.446 178.199 175.800 -0.077 0.000 1.125 283 F CA 0.565 58.479 58.000 -0.143 0.000 1.444 283 F CB -0.204 38.706 39.000 -0.150 0.000 1.114 283 F HN 0.004 nan 8.300 nan 0.000 0.576 284 R N 1.684 122.246 120.500 0.103 0.000 2.075 284 R HA -0.057 4.283 4.340 0.000 0.000 0.232 284 R C 2.144 178.468 176.300 0.041 0.000 1.126 284 R CA 1.683 57.822 56.100 0.066 0.000 0.963 284 R CB -1.084 29.250 30.300 0.058 0.000 0.858 284 R HN 0.157 nan 8.270 nan 0.000 0.435 285 A N 0.529 123.366 122.820 0.029 0.000 1.940 285 A HA -0.094 4.226 4.320 0.000 0.000 0.219 285 A C 2.289 179.880 177.584 0.012 0.000 1.176 285 A CA 1.639 53.691 52.037 0.026 0.000 0.631 285 A CB -0.576 18.452 19.000 0.047 0.000 0.814 285 A HN 0.363 nan 8.150 nan 0.000 0.446 286 L N -1.244 119.969 121.223 -0.018 0.000 2.131 286 L HA -0.066 4.275 4.340 0.000 0.000 0.206 286 L C 3.050 179.932 176.870 0.019 0.000 1.087 286 L CA 0.839 55.669 54.840 -0.015 0.000 0.767 286 L CB -0.546 41.456 42.059 -0.094 0.000 0.917 286 L HN 0.403 nan 8.230 nan 0.000 0.441 287 A N 0.088 122.927 122.820 0.031 0.000 1.898 287 A HA -0.209 4.111 4.320 0.000 0.000 0.216 287 A C 1.879 179.479 177.584 0.026 0.000 1.181 287 A CA 1.831 53.886 52.037 0.031 0.000 0.620 287 A CB -0.478 18.542 19.000 0.033 0.000 0.819 287 A HN 0.323 nan 8.150 nan 0.000 0.442 288 D N 0.257 120.672 120.400 0.026 0.000 2.182 288 D HA -0.056 4.584 4.640 0.000 0.000 0.201 288 D C 1.935 178.249 176.300 0.023 0.000 0.986 288 D CA 1.487 55.501 54.000 0.023 0.000 0.847 288 D CB -0.335 40.478 40.800 0.022 0.000 0.942 288 D HN 0.447 nan 8.370 nan 0.000 0.467 289 A N -0.051 122.785 122.820 0.026 0.000 2.235 289 A HA 0.030 4.350 4.320 0.000 0.000 0.208 289 A C 0.878 178.481 177.584 0.033 0.000 1.172 289 A CA 0.768 52.823 52.037 0.029 0.000 0.786 289 A CB -0.215 18.805 19.000 0.034 0.000 0.804 289 A HN 0.106 nan 8.150 nan 0.000 0.479 290 E N -2.109 118.110 120.200 0.032 0.000 3.413 290 E HA -0.173 4.177 4.350 0.000 0.000 0.300 290 E C -0.423 176.203 176.600 0.043 0.000 0.891 290 E CA 0.598 57.018 56.400 0.033 0.000 1.050 290 E CB -2.105 27.613 29.700 0.029 0.000 1.534 290 E HN 0.686 nan 8.360 nan 0.000 0.436 291 I N 1.646 122.248 120.570 0.052 0.000 2.505 291 I HA 0.004 4.175 4.170 0.000 0.000 0.287 291 I C 0.759 176.923 176.117 0.078 0.000 1.104 291 I CA 0.362 61.709 61.300 0.078 0.000 1.387 291 I CB 0.360 38.423 38.000 0.104 0.000 1.404 291 I HN 0.105 nan 8.210 nan 0.000 0.528 292 N N 7.931 126.682 118.700 0.084 0.000 2.406 292 N HA 0.101 4.841 4.740 0.000 0.000 0.265 292 N C -0.216 175.360 175.510 0.110 0.000 1.203 292 N CA -0.404 52.691 53.050 0.075 0.000 0.945 292 N CB 0.639 39.164 38.487 0.065 0.000 1.165 292 N HN 0.432 nan 8.380 nan 0.000 0.485 293 I N 0.443 121.066 120.570 0.088 0.000 2.395 293 I HA 0.223 4.393 4.170 0.000 0.000 0.289 293 I C 0.426 176.594 176.117 0.085 0.000 1.023 293 I CA -0.156 61.222 61.300 0.130 0.000 1.350 293 I CB 1.381 39.410 38.000 0.048 0.000 1.409 293 I HN 0.469 nan 8.210 nan 0.000 0.507 294 D N 5.923 126.394 120.400 0.119 0.000 2.468 294 D HA 0.208 4.849 4.640 0.000 0.000 0.243 294 D C 0.208 176.537 176.300 0.048 0.000 0.994 294 D CA 1.154 55.195 54.000 0.068 0.000 0.932 294 D CB 0.386 41.227 40.800 0.068 0.000 1.078 294 D HN 0.629 nan 8.370 nan 0.000 0.473 295 M N 0.453 120.099 119.600 0.077 0.000 2.572 295 M HA 0.457 4.937 4.480 0.000 0.000 0.299 295 M C -1.436 174.927 176.300 0.105 0.000 1.205 295 M CA -1.086 54.246 55.300 0.053 0.000 0.876 295 M CB 3.201 35.825 32.600 0.039 0.000 1.728 295 M HN -0.297 nan 8.290 nan 0.000 0.458 296 V N 3.079 123.025 119.914 0.052 0.000 2.540 296 V HA 0.615 4.735 4.120 0.000 0.000 0.302 296 V C -1.131 175.006 176.094 0.070 0.000 1.035 296 V CA -0.682 61.680 62.300 0.103 0.000 0.873 296 V CB 2.177 33.980 31.823 -0.034 0.000 0.992 296 V HN 0.620 nan 8.190 nan 0.000 0.428 297 L N 4.200 125.486 121.223 0.105 0.000 2.409 297 L HA 0.636 4.976 4.340 0.000 0.000 0.272 297 L C -0.458 176.456 176.870 0.072 0.000 0.980 297 L CA 0.087 54.964 54.840 0.061 0.000 0.826 297 L CB 1.879 43.961 42.059 0.038 0.000 1.268 297 L HN 0.750 nan 8.230 nan 0.000 0.407 298 Q N 2.835 122.667 119.800 0.053 0.000 2.305 298 Q HA 0.455 4.795 4.340 0.000 0.000 0.271 298 Q C -1.508 174.510 176.000 0.029 0.000 1.046 298 Q CA -0.642 55.190 55.803 0.049 0.000 0.798 298 Q CB 2.270 31.047 28.738 0.065 0.000 1.286 298 Q HN 0.612 nan 8.270 nan 0.000 0.435 299 N N 1.063 119.777 118.700 0.024 0.000 2.502 299 N HA 0.380 5.120 4.740 0.000 0.000 0.280 299 N C -0.531 174.990 175.510 0.019 0.000 1.223 299 N CA -0.281 52.779 53.050 0.016 0.000 0.966 299 N CB 1.514 40.008 38.487 0.012 0.000 1.203 299 N HN 0.490 nan 8.380 nan 0.000 0.565 300 V N 0.058 119.981 119.914 0.015 0.000 2.901 300 V HA 0.191 4.311 4.120 0.000 0.000 0.307 300 V C 0.895 177.000 176.094 0.019 0.000 1.084 300 V CA -0.708 61.602 62.300 0.016 0.000 1.184 300 V CB -0.418 31.413 31.823 0.012 0.000 0.941 300 V HN 0.694 nan 8.190 nan 0.000 0.493 301 S N 2.944 118.657 115.700 0.021 0.000 2.608 301 S HA 0.362 4.833 4.470 0.000 0.000 0.261 301 S C 0.366 174.978 174.600 0.020 0.000 1.314 301 S CA 0.177 58.391 58.200 0.024 0.000 0.992 301 S CB 1.161 64.377 63.200 0.028 0.000 0.935 301 S HN 1.646 nan 8.310 nan 0.000 0.564 302 S N 0.184 115.896 115.700 0.021 0.000 2.565 302 S HA 0.320 4.791 4.470 0.000 0.000 0.274 302 S C -0.048 174.562 174.600 0.017 0.000 1.309 302 S CA -0.742 57.468 58.200 0.018 0.000 1.043 302 S CB 0.620 63.831 63.200 0.019 0.000 0.939 302 S HN 0.846 nan 8.310 nan 0.000 0.504 303 V N 3.770 123.693 119.914 0.014 0.000 2.924 303 V HA 0.238 4.358 4.120 0.000 0.000 0.305 303 V C 0.438 176.540 176.094 0.013 0.000 1.073 303 V CA 0.080 62.388 62.300 0.013 0.000 1.098 303 V CB 0.729 32.559 31.823 0.011 0.000 1.000 303 V HN 1.162 nan 8.190 nan 0.000 0.484 304 E N 3.896 124.104 120.200 0.012 0.000 1.822 304 E HA -0.234 4.116 4.350 0.000 0.000 0.168 304 E C 0.067 176.675 176.600 0.014 0.000 1.351 304 E CA 1.546 57.953 56.400 0.012 0.000 0.547 304 E CB -0.974 28.732 29.700 0.010 0.000 1.036 304 E HN 0.902 nan 8.360 nan 0.000 0.280 305 D N 0.512 120.922 120.400 0.017 0.000 1.521 305 D HA -0.011 4.629 4.640 0.000 0.000 0.712 305 D C 1.082 177.396 176.300 0.024 0.000 0.743 305 D CA 1.047 55.059 54.000 0.020 0.000 1.202 305 D CB -0.358 40.454 40.800 0.020 0.000 1.434 305 D HN 0.762 nan 8.370 nan 0.000 0.482 306 G N 1.424 110.239 108.800 0.024 0.000 2.148 306 G HA2 -0.227 3.734 3.960 0.000 0.000 0.254 306 G HA3 -0.227 3.734 3.960 0.000 0.000 0.254 306 G C 0.360 175.281 174.900 0.035 0.000 0.981 306 G CA 1.295 46.411 45.100 0.027 0.000 0.670 306 G HN 0.831 nan 8.290 nan 0.000 0.528 307 T N -2.766 111.810 114.554 0.037 0.000 2.887 307 T HA 0.795 5.145 4.350 0.000 0.000 0.288 307 T C -0.356 174.369 174.700 0.041 0.000 1.021 307 T CA 0.375 62.503 62.100 0.047 0.000 1.000 307 T CB 3.161 72.061 68.868 0.054 0.000 1.034 307 T HN 0.804 nan 8.240 nan 0.000 0.467 308 T N 0.160 114.741 114.554 0.045 0.000 2.742 308 T HA 0.558 4.908 4.350 0.000 0.000 0.282 308 T C -1.784 172.934 174.700 0.031 0.000 1.025 308 T CA -0.707 61.414 62.100 0.035 0.000 1.020 308 T CB 1.567 70.455 68.868 0.033 0.000 1.317 308 T HN 0.773 nan 8.240 nan 0.000 0.538 309 D N 1.170 121.581 120.400 0.019 0.000 2.457 309 D HA 0.498 5.138 4.640 0.000 0.000 0.240 309 D C -0.710 175.592 176.300 0.003 0.000 1.041 309 D CA -0.292 53.708 54.000 -0.000 0.000 0.861 309 D CB 1.957 42.755 40.800 -0.003 0.000 1.394 309 D HN 0.436 nan 8.370 nan 0.000 0.473 310 I N 1.047 121.604 120.570 -0.023 0.000 2.389 310 I HA 0.187 4.357 4.170 0.000 0.000 0.288 310 I C -0.132 176.023 176.117 0.064 0.000 0.999 310 I CA -0.296 61.024 61.300 0.033 0.000 1.129 310 I CB 1.901 39.906 38.000 0.010 0.000 1.288 310 I HN 0.033 nan 8.210 nan 0.000 0.444 311 T N 6.754 121.373 114.554 0.107 0.000 2.823 311 T HA 0.662 5.012 4.350 0.000 0.000 0.279 311 T C -0.632 174.205 174.700 0.228 0.000 0.998 311 T CA -0.362 61.786 62.100 0.079 0.000 0.994 311 T CB 0.974 69.841 68.868 -0.000 0.000 0.960 311 T HN 0.397 nan 8.240 nan 0.000 0.448 312 F N -0.165 119.819 119.950 0.056 0.000 2.629 312 F HA 0.851 5.377 4.527 -0.000 0.000 0.316 312 F C -0.033 175.798 175.800 0.053 0.000 1.081 312 F CA -1.201 56.854 58.000 0.091 0.000 0.954 312 F CB 1.123 40.250 39.000 0.213 0.000 1.337 312 F HN 0.509 nan 8.300 nan 0.000 0.474 313 T N -0.505 114.119 114.554 0.117 0.000 2.918 313 T HA 0.760 5.110 4.350 0.000 0.000 0.286 313 T C -0.523 174.277 174.700 0.167 0.000 1.026 313 T CA -0.602 61.507 62.100 0.016 0.000 1.031 313 T CB 1.238 70.113 68.868 0.012 0.000 1.046 313 T HN 1.426 nan 8.240 nan 0.000 0.479 314 C N -0.471 118.893 119.300 0.106 0.000 3.241 314 C HA 0.834 5.295 4.460 0.000 0.000 0.312 314 C C -3.102 171.944 174.990 0.093 0.000 1.350 314 C CA -2.436 56.678 59.018 0.161 0.000 1.415 314 C CB 0.757 28.655 27.740 0.262 0.000 1.770 314 C HN 0.660 nan 8.230 nan 0.000 0.466 315 P HA 0.177 nan 4.420 nan 0.000 0.265 315 P C 0.605 177.950 177.300 0.075 0.000 1.187 315 P CA 0.360 63.500 63.100 0.067 0.000 0.766 315 P CB 0.406 32.145 31.700 0.065 0.000 0.820 316 R N 1.384 121.919 120.500 0.057 0.000 2.193 316 R HA -0.099 4.241 4.340 0.000 0.000 0.229 316 R C 1.874 178.231 176.300 0.095 0.000 1.110 316 R CA 1.773 57.917 56.100 0.073 0.000 0.988 316 R CB -0.534 29.792 30.300 0.042 0.000 0.871 316 R HN 0.589 nan 8.270 nan 0.000 0.458 317 S N 0.160 115.904 115.700 0.073 0.000 2.489 317 S HA -0.036 4.434 4.470 0.000 0.000 0.228 317 S C 1.031 175.673 174.600 0.071 0.000 0.995 317 S CA 0.725 58.964 58.200 0.065 0.000 0.934 317 S CB 0.214 63.444 63.200 0.049 0.000 0.771 317 S HN 0.162 nan 8.310 nan 0.000 0.522 318 D N 1.340 121.793 120.400 0.089 0.000 2.367 318 D HA 0.207 4.848 4.640 0.000 0.000 0.207 318 D C 1.963 178.335 176.300 0.121 0.000 1.034 318 D CA 0.660 54.719 54.000 0.098 0.000 0.861 318 D CB -0.305 40.563 40.800 0.114 0.000 0.943 318 D HN 0.513 nan 8.370 nan 0.000 0.515 319 G N 1.030 109.925 108.800 0.158 0.000 2.422 319 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 319 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 319 G C 1.666 176.578 174.900 0.020 0.000 1.146 319 G CA 0.320 45.569 45.100 0.247 0.000 0.769 319 G HN 0.189 nan 8.290 nan 0.000 0.547 320 R N 0.073 120.535 120.500 -0.063 0.000 2.070 320 R HA -0.070 4.271 4.340 0.000 0.000 0.233 320 R C 2.632 178.865 176.300 -0.112 0.000 1.137 320 R CA 1.574 57.558 56.100 -0.194 0.000 0.945 320 R CB -0.219 30.020 30.300 -0.101 0.000 0.845 320 R HN 0.239 nan 8.270 nan 0.000 0.430 321 R N 0.397 120.881 120.500 -0.026 0.000 2.115 321 R HA -0.013 4.327 4.340 0.000 0.000 0.230 321 R C 1.929 178.245 176.300 0.028 0.000 1.111 321 R CA 1.574 57.675 56.100 0.003 0.000 0.976 321 R CB -0.460 29.854 30.300 0.024 0.000 0.870 321 R HN 0.354 nan 8.270 nan 0.000 0.445 322 A N 0.226 123.084 122.820 0.064 0.000 1.845 322 A HA -0.174 4.147 4.320 0.000 0.000 0.215 322 A C 2.201 179.846 177.584 0.101 0.000 1.195 322 A CA 1.615 53.734 52.037 0.136 0.000 0.616 322 A CB -0.573 18.586 19.000 0.266 0.000 0.832 322 A HN 0.374 nan 8.150 nan 0.000 0.443 323 M N -0.501 119.114 119.600 0.025 0.000 2.279 323 M HA -0.146 4.334 4.480 0.000 0.000 0.264 323 M C 1.893 178.192 176.300 -0.003 0.000 1.062 323 M CA 1.504 56.800 55.300 -0.006 0.000 1.099 323 M CB -0.663 31.858 32.600 -0.131 0.000 1.394 323 M HN 0.572 nan 8.290 nan 0.000 0.426 324 E N 0.187 120.374 120.200 -0.022 0.000 2.051 324 E HA -0.213 4.137 4.350 0.000 0.000 0.192 324 E C 1.903 178.524 176.600 0.035 0.000 0.991 324 E CA 1.237 57.635 56.400 -0.004 0.000 0.799 324 E CB -0.012 29.679 29.700 -0.015 0.000 0.748 324 E HN 0.366 nan 8.360 nan 0.000 0.449 325 I N 1.031 121.631 120.570 0.049 0.000 2.118 325 I HA -0.279 3.891 4.170 0.000 0.000 0.241 325 I C 2.393 178.581 176.117 0.118 0.000 1.070 325 I CA 1.554 62.896 61.300 0.069 0.000 1.327 325 I CB -1.183 36.856 38.000 0.066 0.000 1.034 325 I HN 0.178 nan 8.210 nan 0.000 0.405 326 L N -0.306 121.006 121.223 0.147 0.000 2.179 326 L HA -0.096 4.245 4.340 0.000 0.000 0.208 326 L C 2.498 179.573 176.870 0.341 0.000 1.096 326 L CA 0.727 55.728 54.840 0.268 0.000 0.779 326 L CB -0.555 41.586 42.059 0.136 0.000 0.922 326 L HN 0.150 nan 8.230 nan 0.000 0.443 327 K N 0.647 121.159 120.400 0.187 0.000 2.148 327 K HA -0.159 4.162 4.320 0.000 0.000 0.204 327 K C 2.036 178.698 176.600 0.103 0.000 1.050 327 K CA 1.031 57.408 56.287 0.149 0.000 0.942 327 K CB -0.030 32.516 32.500 0.078 0.000 0.724 327 K HN 0.231 nan 8.250 nan 0.000 0.446 328 K N 0.523 120.972 120.400 0.081 0.000 2.026 328 K HA -0.128 4.193 4.320 0.000 0.000 0.208 328 K C 2.025 178.629 176.600 0.007 0.000 1.048 328 K CA 1.001 57.310 56.287 0.037 0.000 0.929 328 K CB -0.003 32.516 32.500 0.032 0.000 0.713 328 K HN -0.089 nan 8.250 nan 0.000 0.439 329 L N 1.345 122.593 121.223 0.043 0.000 2.141 329 L HA -0.137 4.203 4.340 0.000 0.000 0.209 329 L C 2.494 179.158 176.870 -0.343 0.000 1.094 329 L CA 1.502 56.276 54.840 -0.111 0.000 0.763 329 L CB -0.713 41.355 42.059 0.013 0.000 0.908 329 L HN 0.299 nan 8.230 nan 0.000 0.437 330 Q N -0.215 119.516 119.800 -0.114 0.000 2.061 330 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 330 Q C 2.165 178.066 176.000 -0.164 0.000 0.984 330 Q CA 2.185 57.884 55.803 -0.174 0.000 0.846 330 Q CB -0.055 28.802 28.738 0.198 0.000 0.902 330 Q HN 0.353 nan 8.270 nan 0.000 0.421 331 V N 1.105 120.971 119.914 -0.080 0.000 2.660 331 V HA -0.251 3.869 4.120 0.000 0.000 0.257 331 V C 1.320 177.351 176.094 -0.105 0.000 1.088 331 V CA 1.859 64.119 62.300 -0.067 0.000 1.106 331 V CB -0.492 31.309 31.823 -0.037 0.000 0.686 331 V HN 0.427 nan 8.190 nan 0.000 0.481 332 Q N -0.382 119.319 119.800 -0.165 0.000 2.244 332 Q HA 0.379 4.719 4.340 0.000 0.000 0.239 332 Q C 1.627 177.487 176.000 -0.233 0.000 0.890 332 Q CA 0.511 56.208 55.803 -0.177 0.000 0.964 332 Q CB 0.326 28.957 28.738 -0.178 0.000 1.076 332 Q HN 0.635 nan 8.270 nan 0.000 0.447 333 G N 0.946 109.613 108.800 -0.223 0.000 2.245 333 G HA2 -0.409 3.551 3.960 0.000 0.000 0.264 333 G HA3 -0.409 3.551 3.960 0.000 0.000 0.264 333 G C 0.804 175.540 174.900 -0.274 0.000 0.985 333 G CA 0.658 45.642 45.100 -0.193 0.000 0.625 333 G HN 0.562 nan 8.290 nan 0.000 0.536 334 N N -0.587 117.793 118.700 -0.534 0.000 2.289 334 N HA 0.033 4.773 4.740 0.000 0.000 0.184 334 N C 0.837 176.113 175.510 -0.389 0.000 1.016 334 N CA 1.676 54.308 53.050 -0.698 0.000 0.872 334 N CB -0.082 37.546 38.487 -1.431 0.000 0.973 334 N HN 0.828 nan 8.380 nan 0.000 0.433 335 W N -2.583 118.713 121.300 -0.008 0.000 2.923 335 W HA 0.283 4.943 4.660 -0.000 0.000 0.373 335 W C 0.704 177.223 176.519 -0.000 0.000 1.205 335 W CA -0.707 56.636 57.345 -0.003 0.000 1.180 335 W CB 0.018 29.476 29.460 -0.005 0.000 1.477 335 W HN -0.321 nan 8.180 nan 0.000 0.581 336 T N -2.671 112.050 114.554 0.279 0.000 3.040 336 T HA 0.286 4.636 4.350 0.000 0.000 0.252 336 T C 0.036 174.830 174.700 0.157 0.000 1.064 336 T CA 0.818 63.011 62.100 0.156 0.000 1.110 336 T CB -0.108 68.821 68.868 0.102 0.000 0.921 336 T HN 0.505 nan 8.240 nan 0.000 0.480 337 N N -0.770 118.044 118.700 0.190 0.000 2.745 337 N HA 0.490 5.230 4.740 0.000 0.000 0.256 337 N C -2.286 173.286 175.510 0.102 0.000 1.268 337 N CA -0.768 52.363 53.050 0.135 0.000 0.887 337 N CB 2.430 40.962 38.487 0.075 0.000 1.575 337 N HN -0.007 nan 8.380 nan 0.000 0.496 338 V N 2.610 122.574 119.914 0.083 0.000 2.540 338 V HA 0.566 4.686 4.120 0.000 0.000 0.302 338 V C -0.353 175.759 176.094 0.030 0.000 1.035 338 V CA -0.633 61.679 62.300 0.021 0.000 0.873 338 V CB 1.483 33.334 31.823 0.047 0.000 0.992 338 V HN 0.463 nan 8.190 nan 0.000 0.428 339 L N 3.912 125.140 121.223 0.008 0.000 2.333 339 L HA 0.656 4.997 4.340 0.000 0.000 0.269 339 L C -1.309 175.602 176.870 0.067 0.000 1.010 339 L CA -0.866 53.992 54.840 0.030 0.000 0.818 339 L CB 2.035 44.091 42.059 -0.005 0.000 1.306 339 L HN 0.637 nan 8.230 nan 0.000 0.430 340 Y N 1.203 121.463 120.300 -0.066 0.000 2.406 340 Y HA 0.523 5.074 4.550 0.002 0.000 0.340 340 Y C -1.430 174.431 175.900 -0.065 0.000 0.975 340 Y CA -1.056 56.999 58.100 -0.076 0.000 1.056 340 Y CB 1.846 40.277 38.460 -0.048 0.000 1.210 340 Y HN 0.541 nan 8.280 nan 0.000 0.448 341 D N 4.174 124.163 120.400 -0.685 0.000 2.616 341 D HA 0.194 4.834 4.640 0.000 0.000 0.238 341 D C -1.132 174.782 176.300 -0.643 0.000 1.354 341 D CA -0.481 53.198 54.000 -0.535 0.000 0.970 341 D CB 0.950 41.588 40.800 -0.269 0.000 1.369 341 D HN 0.654 nan 8.370 nan 0.000 0.585 342 D N 2.188 122.224 120.400 -0.607 0.000 2.501 342 D HA 0.046 4.686 4.640 0.000 0.000 0.226 342 D C -0.016 176.175 176.300 -0.181 0.000 1.198 342 D CA -0.034 53.739 54.000 -0.377 0.000 0.830 342 D CB 0.160 40.785 40.800 -0.291 0.000 1.014 342 D HN 0.412 nan 8.370 nan 0.000 0.496 343 Q N 0.526 120.228 119.800 -0.163 0.000 2.217 343 Q HA 0.283 4.623 4.340 0.000 0.000 0.340 343 Q C -0.756 175.194 176.000 -0.083 0.000 0.893 343 Q CA -0.287 55.459 55.803 -0.095 0.000 1.142 343 Q CB 2.118 30.812 28.738 -0.074 0.000 1.288 343 Q HN 0.089 nan 8.270 nan 0.000 0.426 344 V N -0.201 119.658 119.914 -0.093 0.000 2.713 344 V HA 0.867 4.988 4.120 0.000 0.000 0.307 344 V C -0.079 175.989 176.094 -0.045 0.000 1.052 344 V CA -0.312 61.946 62.300 -0.070 0.000 0.967 344 V CB 1.738 33.508 31.823 -0.088 0.000 1.019 344 V HN 0.397 nan 8.190 nan 0.000 0.459 345 G N 3.452 112.237 108.800 -0.025 0.000 2.533 345 G HA2 0.637 4.597 3.960 0.000 0.000 0.304 345 G HA3 0.637 4.597 3.960 0.000 0.000 0.304 345 G C -1.539 173.365 174.900 0.007 0.000 1.263 345 G CA -0.786 44.309 45.100 -0.008 0.000 0.964 345 G HN 0.789 nan 8.290 nan 0.000 0.479 346 K N 0.659 121.070 120.400 0.018 0.000 2.502 346 K HA 0.594 4.915 4.320 0.000 0.000 0.254 346 K C -1.126 175.507 176.600 0.056 0.000 0.947 346 K CA -0.539 55.769 56.287 0.035 0.000 0.834 346 K CB 1.902 34.417 32.500 0.025 0.000 1.112 346 K HN 0.305 nan 8.250 nan 0.000 0.427 347 V N 2.346 122.316 119.914 0.093 0.000 2.459 347 V HA 0.560 4.680 4.120 0.000 0.000 0.295 347 V C -0.525 175.691 176.094 0.203 0.000 1.029 347 V CA -0.792 61.587 62.300 0.132 0.000 0.874 347 V CB 1.595 33.500 31.823 0.136 0.000 0.985 347 V HN 0.803 nan 8.190 nan 0.000 0.438 348 S N 4.005 119.814 115.700 0.181 0.000 2.549 348 S HA 0.772 5.242 4.470 0.000 0.000 0.280 348 S C -1.054 173.669 174.600 0.205 0.000 1.109 348 S CA -0.526 57.779 58.200 0.174 0.000 0.905 348 S CB 2.058 65.301 63.200 0.072 0.000 1.081 348 S HN 0.642 nan 8.310 nan 0.000 0.477 349 L N 2.933 124.281 121.223 0.210 0.000 2.329 349 L HA 0.832 5.173 4.340 0.000 0.000 0.279 349 L C -1.334 175.527 176.870 -0.015 0.000 1.014 349 L CA -0.361 54.546 54.840 0.113 0.000 0.814 349 L CB 1.439 43.597 42.059 0.164 0.000 1.257 349 L HN 0.499 nan 8.230 nan 0.000 0.424 350 V N 3.748 123.636 119.914 -0.043 0.000 2.709 350 V HA 0.992 5.112 4.120 0.000 0.000 0.308 350 V C -0.016 176.032 176.094 -0.077 0.000 1.062 350 V CA -0.072 62.197 62.300 -0.052 0.000 0.901 350 V CB 1.637 33.448 31.823 -0.020 0.000 1.003 350 V HN 1.025 nan 8.190 nan 0.000 0.425 351 G N 1.984 110.740 108.800 -0.074 0.000 2.380 351 G HA2 0.564 4.524 3.960 0.000 0.000 0.305 351 G HA3 0.564 4.524 3.960 0.000 0.000 0.305 351 G C 0.215 175.085 174.900 -0.049 0.000 1.672 351 G CA 0.200 45.257 45.100 -0.072 0.000 0.904 351 G HN 1.033 nan 8.290 nan 0.000 0.686 352 A N 0.691 123.493 122.820 -0.030 0.000 1.978 352 A HA 0.196 4.516 4.320 0.000 0.000 0.220 352 A C 2.729 180.325 177.584 0.019 0.000 1.170 352 A CA 2.906 54.939 52.037 -0.006 0.000 0.636 352 A CB -0.839 18.160 19.000 -0.002 0.000 0.810 352 A HN 2.017 nan 8.150 nan 0.000 0.448 353 G N 0.742 109.546 108.800 0.007 0.000 2.505 353 G HA2 -0.379 3.581 3.960 0.000 0.000 0.220 353 G HA3 -0.379 3.581 3.960 0.000 0.000 0.220 353 G C 1.644 176.626 174.900 0.136 0.000 1.145 353 G CA 1.662 46.787 45.100 0.041 0.000 0.761 353 G HN 0.805 nan 8.290 nan 0.000 0.571 354 M N -0.132 119.489 119.600 0.034 0.000 2.394 354 M HA 0.227 4.707 4.480 0.000 0.000 0.264 354 M C 2.250 178.589 176.300 0.064 0.000 1.073 354 M CA 1.943 57.270 55.300 0.045 0.000 1.111 354 M CB -0.213 32.364 32.600 -0.039 0.000 1.401 354 M HN 0.168 nan 8.290 nan 0.000 0.448 355 K N 1.577 122.005 120.400 0.047 0.000 2.032 355 K HA -0.152 4.168 4.320 0.000 0.000 0.209 355 K C 1.565 178.162 176.600 -0.005 0.000 1.048 355 K CA 2.028 58.323 56.287 0.013 0.000 0.927 355 K CB -0.107 32.396 32.500 0.004 0.000 0.712 355 K HN 0.586 nan 8.250 nan 0.000 0.441 356 S N -0.710 114.978 115.700 -0.020 0.000 2.575 356 S HA 0.119 4.589 4.470 0.000 0.000 0.237 356 S C -0.698 173.685 174.600 -0.362 0.000 0.975 356 S CA -0.758 57.337 58.200 -0.176 0.000 0.960 356 S CB -0.057 63.004 63.200 -0.233 0.000 0.822 356 S HN 0.291 nan 8.310 nan 0.000 0.472 357 H N 1.926 120.996 119.070 -0.001 0.000 2.906 357 H HA 0.543 5.099 4.556 0.000 0.000 0.324 357 H C -2.790 172.548 175.328 0.017 0.000 0.973 357 H CA -1.323 54.731 56.048 0.011 0.000 1.321 357 H CB 1.325 31.097 29.762 0.016 0.000 1.535 357 H HN 0.238 nan 8.280 nan 0.000 0.518 358 P HA 0.180 nan 4.420 nan 0.000 0.272 358 P C 1.048 178.413 177.300 0.107 0.000 1.240 358 P CA 0.277 63.425 63.100 0.081 0.000 0.791 358 P CB 0.787 32.517 31.700 0.050 0.000 0.978 359 G N -0.939 107.917 108.800 0.094 0.000 2.199 359 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 359 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 359 G C 0.891 175.886 174.900 0.158 0.000 0.982 359 G CA 0.289 45.453 45.100 0.106 0.000 0.632 359 G HN 0.394 nan 8.290 nan 0.000 0.529 360 V N 1.010 121.027 119.914 0.172 0.000 2.323 360 V HA -0.148 3.972 4.120 0.000 0.000 0.244 360 V C 2.966 179.226 176.094 0.276 0.000 1.041 360 V CA 3.059 65.505 62.300 0.243 0.000 1.025 360 V CB -1.045 30.841 31.823 0.105 0.000 0.656 360 V HN 0.520 nan 8.190 nan 0.000 0.451 361 T N 0.776 115.420 114.554 0.149 0.000 2.665 361 T HA -0.250 4.101 4.350 0.000 0.000 0.268 361 T C 2.076 176.891 174.700 0.191 0.000 1.035 361 T CA 1.820 63.992 62.100 0.120 0.000 1.151 361 T CB -0.559 68.331 68.868 0.035 0.000 0.862 361 T HN 0.569 nan 8.240 nan 0.000 0.438 362 A N 1.602 124.512 122.820 0.150 0.000 1.865 362 A HA -0.186 4.134 4.320 0.000 0.000 0.217 362 A C 2.208 179.878 177.584 0.144 0.000 1.191 362 A CA 1.873 53.984 52.037 0.125 0.000 0.623 362 A CB -0.689 18.362 19.000 0.086 0.000 0.826 362 A HN 0.584 nan 8.150 nan 0.000 0.444 363 E N -1.839 118.464 120.200 0.172 0.000 2.268 363 E HA -0.104 4.246 4.350 0.000 0.000 0.195 363 E C 1.592 178.267 176.600 0.124 0.000 0.995 363 E CA 0.745 57.189 56.400 0.074 0.000 0.836 363 E CB -0.176 29.508 29.700 -0.027 0.000 0.763 363 E HN 0.735 nan 8.360 nan 0.000 0.491 364 F N 0.747 120.826 119.950 0.216 0.000 2.074 364 F HA -0.223 4.304 4.527 0.000 0.000 0.293 364 F C 2.134 177.990 175.800 0.095 0.000 1.116 364 F CA 1.055 59.190 58.000 0.224 0.000 1.212 364 F CB 0.064 39.196 39.000 0.220 0.000 0.998 364 F HN -0.034 nan 8.300 nan 0.000 0.471 365 M N 0.471 120.318 119.600 0.410 0.000 2.144 365 M HA -0.228 4.252 4.480 0.000 0.000 0.260 365 M C 1.913 178.272 176.300 0.098 0.000 1.067 365 M CA 1.595 57.042 55.300 0.245 0.000 1.095 365 M CB -1.518 31.185 32.600 0.172 0.000 1.365 365 M HN 0.304 nan 8.290 nan 0.000 0.406 366 E N -0.008 120.229 120.200 0.061 0.000 2.152 366 E HA -0.030 4.320 4.350 0.000 0.000 0.192 366 E C 2.147 178.718 176.600 -0.049 0.000 0.983 366 E CA 0.964 57.364 56.400 0.001 0.000 0.818 366 E CB -0.107 29.587 29.700 -0.010 0.000 0.758 366 E HN 0.513 nan 8.360 nan 0.000 0.467 367 A N 1.305 124.067 122.820 -0.096 0.000 1.877 367 A HA -0.147 4.173 4.320 0.000 0.000 0.216 367 A C 2.133 179.642 177.584 -0.125 0.000 1.186 367 A CA 1.047 52.992 52.037 -0.153 0.000 0.620 367 A CB -0.562 18.291 19.000 -0.246 0.000 0.822 367 A HN 0.146 nan 8.150 nan 0.000 0.443 368 L N -1.113 120.037 121.223 -0.121 0.000 2.376 368 L HA -0.052 4.288 4.340 0.000 0.000 0.219 368 L C 2.661 179.511 176.870 -0.033 0.000 1.133 368 L CA 1.040 55.832 54.840 -0.079 0.000 0.816 368 L CB -0.515 41.508 42.059 -0.060 0.000 0.933 368 L HN 0.495 nan 8.230 nan 0.000 0.449 369 R N 0.665 121.153 120.500 -0.021 0.000 2.073 369 R HA -0.143 4.197 4.340 0.000 0.000 0.229 369 R C 1.420 177.707 176.300 -0.022 0.000 1.120 369 R CA 1.604 57.698 56.100 -0.011 0.000 0.967 369 R CB 0.013 30.312 30.300 -0.002 0.000 0.862 369 R HN 0.273 nan 8.270 nan 0.000 0.436 370 D N 0.292 120.671 120.400 -0.035 0.000 2.312 370 D HA -0.084 4.557 4.640 0.000 0.000 0.211 370 D C 1.488 177.766 176.300 -0.036 0.000 0.964 370 D CA 1.000 54.978 54.000 -0.037 0.000 0.877 370 D CB 0.405 41.175 40.800 -0.048 0.000 0.924 370 D HN 0.310 nan 8.370 nan 0.000 0.515 371 V N -2.382 117.509 119.914 -0.039 0.000 3.483 371 V HA 0.216 4.337 4.120 0.000 0.000 0.301 371 V C 0.629 176.708 176.094 -0.025 0.000 1.389 371 V CA -0.317 61.962 62.300 -0.034 0.000 1.101 371 V CB -0.693 31.105 31.823 -0.042 0.000 0.971 371 V HN 0.165 nan 8.190 nan 0.000 0.434 372 N N 0.235 118.923 118.700 -0.021 0.000 2.758 372 N HA -0.156 4.584 4.740 0.000 0.000 0.248 372 N C -0.500 175.003 175.510 -0.011 0.000 1.076 372 N CA 0.639 53.681 53.050 -0.013 0.000 0.696 372 N CB -0.585 37.894 38.487 -0.012 0.000 0.979 372 N HN 0.486 nan 8.380 nan 0.000 0.550 373 V N 1.909 121.816 119.914 -0.011 0.000 2.370 373 V HA 0.255 4.376 4.120 0.000 0.000 0.283 373 V C 0.571 176.671 176.094 0.009 0.000 1.023 373 V CA -0.827 61.470 62.300 -0.005 0.000 0.857 373 V CB 1.499 33.315 31.823 -0.012 0.000 0.985 373 V HN 0.262 nan 8.190 nan 0.000 0.443 374 N N 4.981 123.687 118.700 0.011 0.000 2.444 374 N HA 0.215 4.955 4.740 0.000 0.000 0.271 374 N C -0.766 174.762 175.510 0.031 0.000 1.069 374 N CA -0.656 52.405 53.050 0.019 0.000 0.965 374 N CB 0.939 39.432 38.487 0.010 0.000 1.092 374 N HN 0.423 nan 8.380 nan 0.000 0.476 375 I N 3.755 124.353 120.570 0.046 0.000 2.337 375 I HA 0.061 4.232 4.170 0.000 0.000 0.291 375 I C 1.318 177.456 176.117 0.035 0.000 1.046 375 I CA 0.220 61.557 61.300 0.061 0.000 1.324 375 I CB 0.771 38.825 38.000 0.090 0.000 1.409 375 I HN 0.635 nan 8.210 nan 0.000 0.494 376 E N 5.470 125.685 120.200 0.025 0.000 2.216 376 E HA 0.203 4.553 4.350 0.000 0.000 0.192 376 E C 0.173 176.776 176.600 0.005 0.000 0.973 376 E CA 0.374 56.779 56.400 0.009 0.000 0.851 376 E CB 0.957 30.655 29.700 -0.004 0.000 0.804 376 E HN 0.501 nan 8.360 nan 0.000 0.477 377 L N 0.589 121.818 121.223 0.009 0.000 2.506 377 L HA 0.496 4.836 4.340 0.000 0.000 0.257 377 L C -1.906 174.965 176.870 0.002 0.000 0.964 377 L CA -0.674 54.167 54.840 0.002 0.000 0.836 377 L CB 2.052 44.107 42.059 -0.007 0.000 1.384 377 L HN -0.117 nan 8.230 nan 0.000 0.410 378 I N 2.629 123.192 120.570 -0.011 0.000 2.647 378 I HA 0.623 4.793 4.170 0.000 0.000 0.295 378 I C -0.650 175.442 176.117 -0.041 0.000 1.078 378 I CA -0.407 60.873 61.300 -0.034 0.000 1.048 378 I CB 2.299 40.272 38.000 -0.045 0.000 1.239 378 I HN 0.693 nan 8.210 nan 0.000 0.421 379 S N 2.742 118.406 115.700 -0.060 0.000 2.618 379 S HA 0.909 5.379 4.470 0.000 0.000 0.277 379 S C -0.658 173.892 174.600 -0.083 0.000 1.138 379 S CA -0.580 57.587 58.200 -0.055 0.000 0.844 379 S CB 2.360 65.540 63.200 -0.034 0.000 1.127 379 S HN 0.762 nan 8.310 nan 0.000 0.474 380 T N -1.519 112.992 114.554 -0.071 0.000 2.843 380 T HA 0.823 5.173 4.350 0.000 0.000 0.302 380 T C -0.092 174.573 174.700 -0.059 0.000 1.232 380 T CA -0.176 61.875 62.100 -0.081 0.000 1.009 380 T CB 1.180 69.995 68.868 -0.089 0.000 1.254 380 T HN 1.474 nan 8.240 nan 0.000 0.504 381 S N 0.171 115.836 115.700 -0.058 0.000 2.795 381 S HA 0.505 4.975 4.470 0.000 0.000 0.308 381 S C 0.825 175.398 174.600 -0.046 0.000 1.098 381 S CA -0.700 57.473 58.200 -0.046 0.000 0.934 381 S CB 1.026 64.203 63.200 -0.038 0.000 1.300 381 S HN 0.738 nan 8.310 nan 0.000 0.566 382 E N 0.917 121.095 120.200 -0.037 0.000 2.150 382 E HA -0.020 4.330 4.350 0.000 0.000 0.193 382 E C 1.539 178.119 176.600 -0.034 0.000 0.985 382 E CA 1.284 57.664 56.400 -0.032 0.000 0.814 382 E CB -0.650 29.035 29.700 -0.025 0.000 0.752 382 E HN 0.798 nan 8.360 nan 0.000 0.466 383 I N -2.547 118.001 120.570 -0.037 0.000 3.966 383 I HA 0.380 4.551 4.170 0.000 0.000 0.324 383 I C 0.240 176.324 176.117 -0.055 0.000 1.517 383 I CA -0.620 60.656 61.300 -0.040 0.000 1.117 383 I CB 0.533 38.517 38.000 -0.027 0.000 1.190 383 I HN -0.213 nan 8.210 nan 0.000 0.466 384 R N 1.839 122.299 120.500 -0.065 0.000 2.621 384 R HA 0.714 5.054 4.340 0.000 0.000 0.284 384 R C -1.835 174.392 176.300 -0.122 0.000 0.998 384 R CA -0.623 55.431 56.100 -0.077 0.000 0.895 384 R CB 2.343 32.611 30.300 -0.053 0.000 1.195 384 R HN 0.300 nan 8.270 nan 0.000 0.450 385 I N 2.293 122.756 120.570 -0.178 0.000 2.441 385 I HA 0.372 4.543 4.170 0.000 0.000 0.295 385 I C -0.561 175.397 176.117 -0.264 0.000 0.994 385 I CA -0.669 60.437 61.300 -0.325 0.000 1.144 385 I CB 2.338 39.943 38.000 -0.659 0.000 1.314 385 I HN 0.539 nan 8.210 nan 0.000 0.445 386 S N 4.791 120.363 115.700 -0.215 0.000 2.614 386 S HA 0.645 5.116 4.470 0.000 0.000 0.288 386 S C -0.658 173.906 174.600 -0.061 0.000 1.137 386 S CA -0.711 57.443 58.200 -0.077 0.000 0.992 386 S CB 2.134 65.314 63.200 -0.033 0.000 1.026 386 S HN 0.462 nan 8.310 nan 0.000 0.486 387 V N 1.310 121.251 119.914 0.044 0.000 2.823 387 V HA 0.718 4.838 4.120 0.000 0.000 0.312 387 V C -0.926 175.210 176.094 0.070 0.000 1.072 387 V CA -1.045 61.295 62.300 0.067 0.000 0.937 387 V CB 1.368 33.289 31.823 0.164 0.000 1.013 387 V HN 0.763 nan 8.190 nan 0.000 0.430 388 L N 5.474 126.720 121.223 0.039 0.000 2.309 388 L HA 0.728 5.069 4.340 0.000 0.000 0.282 388 L C -0.261 176.622 176.870 0.023 0.000 1.036 388 L CA -0.564 54.289 54.840 0.021 0.000 0.806 388 L CB 1.571 43.627 42.059 -0.005 0.000 1.220 388 L HN 0.800 nan 8.230 nan 0.000 0.429 389 I N -0.425 120.154 120.570 0.016 0.000 3.352 389 I HA 0.530 4.700 4.170 0.000 0.000 0.316 389 I C -0.605 175.508 176.117 -0.007 0.000 1.214 389 I CA -1.342 59.964 61.300 0.010 0.000 0.934 389 I CB 1.517 39.532 38.000 0.024 0.000 1.310 389 I HN 0.458 nan 8.210 nan 0.000 0.475 390 R N 2.125 122.619 120.500 -0.011 0.000 2.585 390 R HA 0.032 4.372 4.340 0.000 0.000 0.275 390 R C 1.272 177.562 176.300 -0.016 0.000 1.018 390 R CA 0.467 56.556 56.100 -0.019 0.000 1.072 390 R CB -0.025 30.265 30.300 -0.017 0.000 0.953 390 R HN 0.830 nan 8.270 nan 0.000 0.419 391 E N 1.486 121.672 120.200 -0.022 0.000 2.267 391 E HA -0.216 4.134 4.350 0.000 0.000 0.197 391 E C -0.146 176.445 176.600 -0.015 0.000 0.998 391 E CA 1.750 58.139 56.400 -0.018 0.000 0.830 391 E CB -0.009 29.677 29.700 -0.024 0.000 0.751 391 E HN 0.561 nan 8.360 nan 0.000 0.491 392 D N 1.035 121.426 120.400 -0.016 0.000 2.347 392 D HA -0.071 4.569 4.640 0.000 0.000 0.215 392 D C 0.649 176.941 176.300 -0.014 0.000 0.976 392 D CA 0.874 54.865 54.000 -0.015 0.000 0.884 392 D CB 0.118 40.909 40.800 -0.015 0.000 0.915 392 D HN 0.193 nan 8.370 nan 0.000 0.526 393 D N -0.196 120.197 120.400 -0.012 0.000 2.349 393 D HA 0.080 4.720 4.640 0.000 0.000 0.214 393 D C 1.890 178.184 176.300 -0.010 0.000 1.063 393 D CA -0.035 53.958 54.000 -0.011 0.000 0.847 393 D CB 0.237 41.032 40.800 -0.008 0.000 0.933 393 D HN 0.241 nan 8.370 nan 0.000 0.513 394 L N 0.599 121.817 121.223 -0.008 0.000 1.976 394 L HA -0.199 4.142 4.340 0.000 0.000 0.209 394 L C 1.834 178.699 176.870 -0.009 0.000 1.071 394 L CA 1.320 56.158 54.840 -0.003 0.000 0.746 394 L CB -0.157 41.901 42.059 -0.002 0.000 0.890 394 L HN -0.094 nan 8.230 nan 0.000 0.432 395 D N 0.038 120.429 120.400 -0.015 0.000 2.106 395 D HA -0.211 4.429 4.640 0.000 0.000 0.191 395 D C 2.148 178.434 176.300 -0.023 0.000 0.997 395 D CA 1.625 55.612 54.000 -0.021 0.000 0.834 395 D CB -0.211 40.574 40.800 -0.024 0.000 0.956 395 D HN 0.357 nan 8.370 nan 0.000 0.448 396 A N 0.847 123.654 122.820 -0.022 0.000 1.865 396 A HA -0.085 4.235 4.320 0.000 0.000 0.217 396 A C 2.313 179.878 177.584 -0.031 0.000 1.191 396 A CA 2.634 54.655 52.037 -0.026 0.000 0.623 396 A CB -1.013 17.972 19.000 -0.025 0.000 0.826 396 A HN 0.249 nan 8.150 nan 0.000 0.444 397 A N -0.319 122.482 122.820 -0.032 0.000 1.933 397 A HA 0.154 4.475 4.320 0.000 0.000 0.218 397 A C 2.503 180.059 177.584 -0.047 0.000 1.175 397 A CA 2.173 54.179 52.037 -0.051 0.000 0.628 397 A CB -1.017 17.960 19.000 -0.038 0.000 0.814 397 A HN 1.083 nan 8.150 nan 0.000 0.444 398 A N -0.137 122.674 122.820 -0.014 0.000 1.858 398 A HA -0.181 4.139 4.320 0.000 0.000 0.216 398 A C 2.267 179.871 177.584 0.032 0.000 1.190 398 A CA 1.589 53.634 52.037 0.013 0.000 0.617 398 A CB -0.505 18.500 19.000 0.008 0.000 0.827 398 A HN 0.541 nan 8.150 nan 0.000 0.443 399 R N -0.642 119.859 120.500 0.003 0.000 2.081 399 R HA -0.092 4.248 4.340 0.000 0.000 0.235 399 R C 2.528 178.845 176.300 0.029 0.000 1.131 399 R CA 1.181 57.289 56.100 0.013 0.000 0.960 399 R CB -0.520 29.769 30.300 -0.017 0.000 0.856 399 R HN 0.528 nan 8.270 nan 0.000 0.436 400 A N 1.374 124.184 122.820 -0.017 0.000 1.865 400 A HA -0.170 4.150 4.320 0.000 0.000 0.217 400 A C 2.197 179.745 177.584 -0.061 0.000 1.191 400 A CA 1.373 53.378 52.037 -0.053 0.000 0.623 400 A CB -0.626 18.322 19.000 -0.087 0.000 0.826 400 A HN 0.188 nan 8.150 nan 0.000 0.444 401 L N -1.796 119.399 121.223 -0.047 0.000 2.093 401 L HA -0.161 4.179 4.340 0.000 0.000 0.208 401 L C 2.689 179.658 176.870 0.165 0.000 1.085 401 L CA 1.383 56.235 54.840 0.020 0.000 0.755 401 L CB -0.682 41.365 42.059 -0.021 0.000 0.904 401 L HN 0.558 nan 8.230 nan 0.000 0.435 402 H N 0.179 119.283 119.070 0.055 0.000 2.421 402 H HA -0.181 4.375 4.556 0.000 0.000 0.298 402 H C 2.108 177.464 175.328 0.046 0.000 1.087 402 H CA 1.819 57.909 56.048 0.070 0.000 1.330 402 H CB 0.449 30.234 29.762 0.039 0.000 1.388 402 H HN 0.440 nan 8.280 nan 0.000 0.526 403 E N 0.118 120.380 120.200 0.104 0.000 2.033 403 E HA -0.185 4.165 4.350 0.000 0.000 0.189 403 E C 2.291 178.846 176.600 -0.074 0.000 0.979 403 E CA 0.791 57.205 56.400 0.023 0.000 0.802 403 E CB 0.124 29.827 29.700 0.005 0.000 0.763 403 E HN 0.295 nan 8.360 nan 0.000 0.449 404 Q N -0.004 119.700 119.800 -0.160 0.000 2.135 404 Q HA -0.150 4.191 4.340 0.000 0.000 0.204 404 Q C 1.135 176.851 176.000 -0.474 0.000 0.981 404 Q CA 1.766 57.346 55.803 -0.371 0.000 0.856 404 Q CB -0.253 28.143 28.738 -0.571 0.000 0.902 404 Q HN 0.323 nan 8.270 nan 0.000 0.425 405 F N 0.288 120.193 119.950 -0.075 0.000 2.664 405 F HA 0.255 4.782 4.527 0.000 0.000 0.303 405 F C 0.028 175.759 175.800 -0.115 0.000 1.092 405 F CA -0.208 57.742 58.000 -0.083 0.000 1.305 405 F CB 0.175 39.131 39.000 -0.073 0.000 1.054 405 F HN 0.019 nan 8.300 nan 0.000 0.565 406 Q N 0.490 120.282 119.800 -0.013 0.000 2.451 406 Q HA -0.235 4.105 4.340 0.000 0.000 0.305 406 Q C 0.835 176.782 176.000 -0.087 0.000 1.345 406 Q CA 0.198 55.974 55.803 -0.044 0.000 0.854 406 Q CB -1.970 26.754 28.738 -0.023 0.000 1.162 406 Q HN 0.582 nan 8.270 nan 0.000 0.440 407 L N -1.611 119.467 121.223 -0.241 0.000 2.418 407 L HA 0.039 4.380 4.340 0.000 0.000 0.218 407 L C 1.788 178.531 176.870 -0.211 0.000 1.125 407 L CA 0.872 55.524 54.840 -0.314 0.000 0.835 407 L CB -0.129 41.610 42.059 -0.534 0.000 0.953 407 L HN 0.462 nan 8.230 nan 0.000 0.454 408 G N -0.455 108.285 108.800 -0.100 0.000 2.992 408 G HA2 0.305 4.265 3.960 0.000 0.000 0.195 408 G HA3 0.305 4.265 3.960 0.000 0.000 0.195 408 G C 0.558 175.506 174.900 0.080 0.000 2.032 408 G CA 0.504 45.709 45.100 0.175 0.000 0.831 408 G HN 0.230 nan 8.290 nan 0.000 0.647 409 G N -0.351 108.495 108.800 0.076 0.000 4.855 409 G HA2 0.369 4.330 3.960 0.000 0.000 0.275 409 G HA3 0.369 4.330 3.960 0.000 0.000 0.275 409 G C 0.569 175.487 174.900 0.029 0.000 1.282 409 G CA 0.208 45.333 45.100 0.042 0.000 0.930 409 G HN 0.351 nan 8.290 nan 0.000 0.575 410 E N 0.482 120.694 120.200 0.019 0.000 2.085 410 E HA -0.076 4.274 4.350 0.000 0.000 0.194 410 E C 0.801 177.404 176.600 0.004 0.000 0.994 410 E CA 1.732 58.137 56.400 0.008 0.000 0.801 410 E CB 0.321 30.019 29.700 -0.004 0.000 0.743 410 E HN 0.567 nan 8.360 nan 0.000 0.453 411 D N 0.000 120.402 120.400 0.003 0.000 6.856 411 D HA 0.000 4.640 4.640 0.000 0.000 0.175 411 D CA 0.000 54.001 54.000 0.001 0.000 0.868 411 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 411 D HN 0.000 nan 8.370 nan 0.000 0.683