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 3aeu_1_C DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLN 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.357 174.700 -0.572 0.000 1.109 7 T CA 0.000 61.891 62.100 -0.348 0.000 1.349 7 T CB 0.000 68.632 68.868 -0.394 0.000 0.612 8 F N 1.464 121.402 119.950 -0.021 0.000 2.493 8 F HA 0.739 5.266 4.527 -0.000 0.000 0.329 8 F C 0.602 176.391 175.800 -0.019 0.000 1.126 8 F CA -0.123 57.864 58.000 -0.021 0.000 0.937 8 F CB 2.293 41.282 39.000 -0.019 0.000 1.146 8 F HN 0.301 nan 8.300 nan 0.000 0.442 9 G N 1.158 110.052 108.800 0.157 0.000 2.196 9 G HA2 0.198 4.158 3.960 -0.000 0.000 0.215 9 G HA3 0.198 4.158 3.960 -0.000 0.000 0.215 9 G C -0.917 174.009 174.900 0.044 0.000 1.640 9 G CA -0.891 44.260 45.100 0.085 0.000 0.946 9 G HN 0.763 nan 8.290 nan 0.000 0.710 10 C N 1.915 121.235 119.300 0.033 0.000 3.657 10 C HA 0.258 4.718 4.460 -0.000 0.000 0.291 10 C C 2.468 177.462 174.990 0.006 0.000 1.572 10 C CA 0.809 59.835 59.018 0.013 0.000 1.818 10 C CB -0.468 27.279 27.740 0.012 0.000 2.903 10 C HN 0.894 nan 8.230 nan 0.000 0.632 11 T N 0.500 115.060 114.554 0.010 0.000 2.778 11 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 11 T C 0.962 175.661 174.700 -0.001 0.000 1.050 11 T CA 1.790 63.893 62.100 0.005 0.000 1.137 11 T CB -0.138 68.733 68.868 0.006 0.000 0.860 11 T HN 0.434 nan 8.240 nan 0.000 0.468 12 D N 0.806 121.204 120.400 -0.002 0.000 2.350 12 D HA 0.163 4.803 4.640 -0.000 0.000 0.213 12 D C 0.381 176.675 176.300 -0.010 0.000 1.031 12 D CA 0.092 54.089 54.000 -0.006 0.000 0.861 12 D CB -0.014 40.783 40.800 -0.005 0.000 0.926 12 D HN 0.227 nan 8.370 nan 0.000 0.520 13 S N 2.676 118.369 115.700 -0.011 0.000 2.533 13 S HA 0.161 4.631 4.470 -0.000 0.000 0.282 13 S C -2.160 172.429 174.600 -0.018 0.000 1.304 13 S CA -0.914 57.276 58.200 -0.017 0.000 1.063 13 S CB 0.763 63.951 63.200 -0.020 0.000 0.881 13 S HN 0.141 nan 8.310 nan 0.000 0.493 14 P HA 0.121 nan 4.420 nan 0.000 0.271 14 P C -0.588 176.699 177.300 -0.021 0.000 1.226 14 P CA -0.212 62.878 63.100 -0.017 0.000 0.765 14 P CB 0.562 32.254 31.700 -0.014 0.000 0.835 15 V N 4.994 124.894 119.914 -0.023 0.000 2.407 15 V HA 0.267 4.387 4.120 -0.000 0.000 0.278 15 V C 0.529 176.612 176.094 -0.018 0.000 1.037 15 V CA -1.034 61.250 62.300 -0.027 0.000 0.900 15 V CB 0.800 32.600 31.823 -0.037 0.000 0.983 15 V HN 0.536 nan 8.190 nan 0.000 0.459 16 R N 7.122 127.612 120.500 -0.016 0.000 2.291 16 R HA 0.267 4.607 4.340 -0.000 0.000 0.333 16 R C -0.333 175.970 176.300 0.005 0.000 1.082 16 R CA -0.486 55.612 56.100 -0.004 0.000 0.948 16 R CB 0.192 30.489 30.300 -0.004 0.000 1.009 16 R HN 0.684 nan 8.270 nan 0.000 0.460 17 R N 4.174 124.681 120.500 0.012 0.000 2.272 17 R HA 0.124 4.463 4.340 -0.000 0.000 0.334 17 R C -0.473 175.848 176.300 0.034 0.000 1.117 17 R CA -0.012 56.103 56.100 0.025 0.000 0.966 17 R CB 0.624 30.940 30.300 0.027 0.000 1.049 17 R HN 0.622 nan 8.270 nan 0.000 0.477 18 E N 2.289 122.515 120.200 0.043 0.000 2.191 18 E HA 0.374 4.724 4.350 -0.000 0.000 0.274 18 E C -0.349 176.285 176.600 0.057 0.000 0.948 18 E CA -0.731 55.699 56.400 0.048 0.000 0.802 18 E CB 2.156 31.888 29.700 0.053 0.000 1.137 18 E HN 0.158 nan 8.360 nan 0.000 0.397 19 R N 1.180 121.711 120.500 0.052 0.000 2.514 19 R HA 0.567 4.907 4.340 -0.000 0.000 0.296 19 R C -0.688 175.640 176.300 0.046 0.000 1.012 19 R CA -0.352 55.780 56.100 0.052 0.000 0.897 19 R CB 1.812 32.142 30.300 0.050 0.000 1.184 19 R HN 0.764 nan 8.270 nan 0.000 0.440 20 G N 1.161 109.989 108.800 0.047 0.000 2.500 20 G HA2 0.014 3.974 3.960 -0.000 0.000 0.299 20 G HA3 0.014 3.974 3.960 -0.000 0.000 0.299 20 G C -1.471 173.451 174.900 0.037 0.000 1.242 20 G CA -0.697 44.427 45.100 0.040 0.000 0.859 20 G HN 0.424 nan 8.290 nan 0.000 0.481 21 Q N 0.626 120.445 119.800 0.031 0.000 2.269 21 Q HA 0.164 4.504 4.340 -0.000 0.000 0.300 21 Q C -0.534 175.484 176.000 0.029 0.000 1.070 21 Q CA 0.807 56.623 55.803 0.022 0.000 0.957 21 Q CB 0.220 28.966 28.738 0.012 0.000 1.131 21 Q HN 0.304 nan 8.270 nan 0.000 0.377 22 K N 2.084 122.496 120.400 0.019 0.000 2.270 22 K HA 0.524 4.844 4.320 -0.000 0.000 0.255 22 K C -1.152 175.442 176.600 -0.010 0.000 0.936 22 K CA -0.547 55.755 56.287 0.025 0.000 0.809 22 K CB 1.888 34.411 32.500 0.038 0.000 1.131 22 K HN 0.570 nan 8.250 nan 0.000 0.427 23 A N 2.957 125.767 122.820 -0.017 0.000 2.801 23 A HA 0.438 4.758 4.320 -0.000 0.000 0.344 23 A C -0.407 177.135 177.584 -0.070 0.000 1.322 23 A CA -0.535 51.458 52.037 -0.074 0.000 0.913 23 A CB -0.212 18.725 19.000 -0.104 0.000 1.140 23 A HN 0.470 nan 8.150 nan 0.000 0.487 24 V N -2.037 117.832 119.914 -0.075 0.000 3.159 24 V HA 0.818 4.938 4.120 -0.000 0.000 0.308 24 V C -0.735 175.306 176.094 -0.087 0.000 1.190 24 V CA -1.332 60.951 62.300 -0.027 0.000 1.037 24 V CB 1.342 33.209 31.823 0.073 0.000 1.060 24 V HN 0.379 nan 8.190 nan 0.000 0.437 25 F N 1.795 121.672 119.950 -0.123 0.000 2.382 25 F HA 0.621 5.148 4.527 -0.000 0.000 0.331 25 F C 1.264 177.088 175.800 0.040 0.000 1.121 25 F CA 0.318 58.270 58.000 -0.079 0.000 1.183 25 F CB 0.894 39.783 39.000 -0.184 0.000 1.207 25 F HN 1.032 nan 8.300 nan 0.000 0.555 26 C N 0.686 120.120 119.300 0.223 0.000 2.396 26 C HA 0.584 5.044 4.460 -0.000 0.000 0.359 26 C C 1.849 176.947 174.990 0.180 0.000 1.307 26 C CA -0.215 58.899 59.018 0.160 0.000 2.392 26 C CB 0.382 28.169 27.740 0.078 0.000 2.245 26 C HN 1.034 nan 8.230 nan 0.000 0.615 27 G N 0.152 109.014 108.800 0.103 0.000 2.485 27 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.221 27 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.221 27 G C 1.144 176.014 174.900 -0.051 0.000 1.115 27 G CA 0.893 46.015 45.100 0.037 0.000 0.751 27 G HN 0.711 nan 8.290 nan 0.000 0.567 28 L N 1.318 122.517 121.223 -0.040 0.000 2.051 28 L HA -0.139 4.201 4.340 -0.000 0.000 0.214 28 L C 3.149 179.868 176.870 -0.251 0.000 1.076 28 L CA 2.188 56.950 54.840 -0.130 0.000 0.758 28 L CB -1.310 40.700 42.059 -0.083 0.000 0.890 28 L HN 0.219 nan 8.230 nan 0.000 0.433 29 T N -0.834 113.644 114.554 -0.127 0.000 2.721 29 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 29 T C 2.033 176.386 174.700 -0.578 0.000 1.038 29 T CA 1.700 63.701 62.100 -0.165 0.000 1.145 29 T CB -0.555 68.421 68.868 0.181 0.000 0.858 29 T HN 0.634 nan 8.240 nan 0.000 0.459 30 S N 1.668 116.880 115.700 -0.813 0.000 2.400 30 S HA -0.094 4.376 4.470 -0.000 0.000 0.232 30 S C 1.998 175.636 174.600 -1.604 0.000 1.025 30 S CA 0.961 58.115 58.200 -1.743 0.000 0.993 30 S CB -0.919 61.670 63.200 -1.017 0.000 0.808 30 S HN 0.535 nan 8.310 nan 0.000 0.478 31 I N 1.255 121.199 120.570 -1.044 0.000 2.399 31 I HA -0.158 4.012 4.170 -0.000 0.000 0.254 31 I C 2.403 177.995 176.117 -0.875 0.000 1.146 31 I CA 0.872 61.507 61.300 -1.107 0.000 1.412 31 I CB -0.435 36.984 38.000 -0.967 0.000 1.076 31 I HN 0.228 nan 8.210 nan 0.000 0.432 32 V N 0.652 120.116 119.914 -0.750 0.000 2.261 32 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 32 V C 2.142 178.202 176.094 -0.056 0.000 1.047 32 V CA 2.490 64.597 62.300 -0.322 0.000 1.015 32 V CB -0.679 31.015 31.823 -0.214 0.000 0.642 32 V HN 0.766 nan 8.190 nan 0.000 0.446 33 W N -0.612 120.608 121.300 -0.134 0.000 2.476 33 W HA 0.068 4.728 4.660 -0.000 0.000 0.281 33 W C 1.807 178.205 176.519 -0.202 0.000 1.230 33 W CA 0.516 57.780 57.345 -0.136 0.000 1.287 33 W CB -1.002 28.392 29.460 -0.111 0.000 1.108 33 W HN 0.158 nan 8.180 nan 0.000 0.567 34 L N 1.817 122.687 121.223 -0.588 0.000 2.109 34 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 34 L C 2.914 179.622 176.870 -0.271 0.000 1.086 34 L CA 2.575 57.142 54.840 -0.454 0.000 0.760 34 L CB -1.298 40.300 42.059 -0.769 0.000 0.910 34 L HN 0.420 nan 8.230 nan 0.000 0.437 35 H N -2.074 116.759 119.070 -0.395 0.000 2.457 35 H HA -0.049 4.507 4.556 -0.000 0.000 0.294 35 H C 2.163 177.529 175.328 0.063 0.000 1.064 35 H CA 1.252 57.282 56.048 -0.029 0.000 1.330 35 H CB -0.359 29.406 29.762 0.004 0.000 1.395 35 H HN 0.239 nan 8.280 nan 0.000 0.541 36 R N 0.187 120.232 120.500 -0.759 0.000 2.096 36 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 36 R C 2.089 178.307 176.300 -0.137 0.000 1.127 36 R CA 1.626 57.450 56.100 -0.458 0.000 0.968 36 R CB -0.077 30.018 30.300 -0.342 0.000 0.861 36 R HN 0.270 nan 8.270 nan 0.000 0.440 37 K N 0.341 120.700 120.400 -0.068 0.000 2.228 37 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 37 K C 0.373 176.995 176.600 0.035 0.000 1.051 37 K CA 0.857 57.145 56.287 0.001 0.000 0.960 37 K CB 0.406 32.923 32.500 0.028 0.000 0.743 37 K HN -0.018 nan 8.250 nan 0.000 0.458 38 M N 1.770 121.416 119.600 0.076 0.000 2.495 38 M HA 0.160 4.640 4.480 -0.000 0.000 0.346 38 M C 0.122 176.506 176.300 0.141 0.000 1.251 38 M CA -0.248 55.125 55.300 0.121 0.000 1.249 38 M CB 1.425 34.130 32.600 0.176 0.000 1.229 38 M HN -0.009 nan 8.290 nan 0.000 0.450 39 Q N 0.535 120.394 119.800 0.098 0.000 2.181 39 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 39 Q C 1.140 177.216 176.000 0.126 0.000 0.980 39 Q CA 1.401 57.265 55.803 0.101 0.000 0.862 39 Q CB 0.118 28.898 28.738 0.070 0.000 0.905 39 Q HN 0.605 nan 8.270 nan 0.000 0.429 40 D N -0.352 120.119 120.400 0.118 0.000 2.317 40 D HA 0.078 4.718 4.640 -0.000 0.000 0.211 40 D C -0.076 176.314 176.300 0.150 0.000 0.966 40 D CA 0.346 54.414 54.000 0.113 0.000 0.876 40 D CB 0.176 41.021 40.800 0.074 0.000 0.927 40 D HN 0.212 nan 8.370 nan 0.000 0.519 41 A N 0.127 123.064 122.820 0.194 0.000 2.293 41 A HA 0.514 4.833 4.320 -0.000 0.000 0.302 41 A C -0.875 176.875 177.584 0.278 0.000 1.119 41 A CA -0.362 51.798 52.037 0.207 0.000 0.823 41 A CB 0.791 19.916 19.000 0.209 0.000 1.097 41 A HN 0.054 nan 8.150 nan 0.000 0.491 42 F N 0.494 120.492 119.950 0.079 0.000 2.556 42 F HA 0.682 5.209 4.527 -0.000 0.000 0.314 42 F C -1.550 174.302 175.800 0.086 0.000 1.106 42 F CA -1.090 57.000 58.000 0.149 0.000 0.911 42 F CB 1.681 40.735 39.000 0.090 0.000 1.190 42 F HN 0.427 nan 8.300 nan 0.000 0.448 43 F N 6.920 126.848 119.950 -0.037 0.000 2.347 43 F HA 0.453 4.980 4.527 -0.000 0.000 0.366 43 F C -0.775 175.141 175.800 0.194 0.000 1.107 43 F CA -0.798 57.286 58.000 0.141 0.000 1.058 43 F CB 1.290 40.269 39.000 -0.035 0.000 1.236 43 F HN 0.194 nan 8.300 nan 0.000 0.456 44 L N 5.172 126.655 121.223 0.432 0.000 2.265 44 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 44 L C -0.703 176.271 176.870 0.175 0.000 1.033 44 L CA -0.473 54.573 54.840 0.344 0.000 0.814 44 L CB 0.985 43.203 42.059 0.265 0.000 1.203 44 L HN 0.290 nan 8.230 nan 0.000 0.423 45 V N 6.187 126.182 119.914 0.135 0.000 2.432 45 V HA 0.278 4.398 4.120 -0.000 0.000 0.275 45 V C -0.095 176.019 176.094 0.033 0.000 1.043 45 V CA -0.618 61.709 62.300 0.046 0.000 0.925 45 V CB 1.545 33.380 31.823 0.020 0.000 0.985 45 V HN 0.472 nan 8.190 nan 0.000 0.466 46 V N 5.571 125.484 119.914 -0.001 0.000 2.320 46 V HA 0.813 4.933 4.120 -0.000 0.000 0.265 46 V C 0.705 176.792 176.094 -0.012 0.000 1.048 46 V CA 0.391 62.684 62.300 -0.011 0.000 0.865 46 V CB 0.317 32.119 31.823 -0.036 0.000 1.043 46 V HN 1.053 nan 8.190 nan 0.000 0.474 47 G N 3.211 112.011 108.800 -0.001 0.000 2.706 47 G HA2 0.626 4.585 3.960 -0.000 0.000 0.307 47 G HA3 0.626 4.585 3.960 -0.000 0.000 0.307 47 G C -0.476 174.427 174.900 0.005 0.000 1.307 47 G CA 0.082 45.182 45.100 0.000 0.000 0.790 47 G HN 0.719 nan 8.290 nan 0.000 0.503 48 S N -1.014 114.690 115.700 0.006 0.000 2.671 48 S HA 0.353 4.823 4.470 -0.000 0.000 0.272 48 S C 1.473 176.082 174.600 0.015 0.000 1.174 48 S CA 0.115 58.319 58.200 0.007 0.000 1.004 48 S CB 1.685 64.886 63.200 0.002 0.000 1.077 48 S HN 0.835 nan 8.310 nan 0.000 0.553 49 R N -0.218 120.287 120.500 0.009 0.000 2.115 49 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 49 R C 1.919 178.238 176.300 0.032 0.000 1.111 49 R CA 1.794 57.902 56.100 0.013 0.000 0.976 49 R CB -1.210 29.081 30.300 -0.014 0.000 0.870 49 R HN 0.820 nan 8.270 nan 0.000 0.445 50 T N 0.204 114.770 114.554 0.020 0.000 2.665 50 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 50 T C 1.983 176.728 174.700 0.075 0.000 1.035 50 T CA 1.677 63.804 62.100 0.046 0.000 1.151 50 T CB -0.489 68.392 68.868 0.021 0.000 0.862 50 T HN 0.418 nan 8.240 nan 0.000 0.438 51 C N 1.669 120.996 119.300 0.044 0.000 2.432 51 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 51 C C 3.243 178.262 174.990 0.048 0.000 1.249 51 C CA 0.248 59.286 59.018 0.033 0.000 1.725 51 C CB -1.576 26.174 27.740 0.016 0.000 2.028 51 C HN 0.673 nan 8.230 nan 0.000 0.477 52 A N -0.415 122.444 122.820 0.066 0.000 1.892 52 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 52 A C 2.099 179.752 177.584 0.115 0.000 1.188 52 A CA 2.179 54.267 52.037 0.086 0.000 0.631 52 A CB -1.228 17.821 19.000 0.082 0.000 0.822 52 A HN 0.841 nan 8.150 nan 0.000 0.447 53 H N -0.812 118.263 119.070 0.008 0.000 2.326 53 H HA -0.119 4.437 4.556 -0.000 0.000 0.301 53 H C 2.134 177.466 175.328 0.006 0.000 1.081 53 H CA 1.680 57.731 56.048 0.005 0.000 1.334 53 H CB -0.050 29.711 29.762 -0.002 0.000 1.385 53 H HN 0.436 nan 8.280 nan 0.000 0.504 54 L N 0.992 122.232 121.223 0.028 0.000 2.017 54 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 54 L C 2.293 179.144 176.870 -0.032 0.000 1.073 54 L CA 1.382 56.204 54.840 -0.029 0.000 0.745 54 L CB -0.790 41.278 42.059 0.014 0.000 0.894 54 L HN 0.227 nan 8.230 nan 0.000 0.432 55 L N -0.515 120.684 121.223 -0.040 0.000 2.013 55 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 55 L C 2.816 179.664 176.870 -0.037 0.000 1.073 55 L CA 1.979 56.760 54.840 -0.099 0.000 0.753 55 L CB -0.774 41.212 42.059 -0.123 0.000 0.890 55 L HN 0.519 nan 8.230 nan 0.000 0.432 56 Q N -0.208 119.585 119.800 -0.012 0.000 1.985 56 Q HA -0.297 4.043 4.340 -0.000 0.000 0.207 56 Q C 2.307 178.251 176.000 -0.093 0.000 0.996 56 Q CA 2.337 58.112 55.803 -0.047 0.000 0.851 56 Q CB -0.215 28.498 28.738 -0.042 0.000 0.921 56 Q HN 0.524 nan 8.270 nan 0.000 0.418 57 A N 0.530 123.260 122.820 -0.150 0.000 1.892 57 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 57 A C 2.225 179.793 177.584 -0.027 0.000 1.188 57 A CA 2.086 54.051 52.037 -0.119 0.000 0.631 57 A CB -1.110 17.788 19.000 -0.171 0.000 0.822 57 A HN 0.595 nan 8.150 nan 0.000 0.447 58 A N -1.078 121.745 122.820 0.004 0.000 2.119 58 A HA 0.372 4.692 4.320 -0.000 0.000 0.217 58 A C 2.163 179.740 177.584 -0.012 0.000 1.153 58 A CA 1.548 53.597 52.037 0.021 0.000 0.692 58 A CB -0.525 18.489 19.000 0.022 0.000 0.799 58 A HN 1.042 nan 8.150 nan 0.000 0.458 59 A N -1.285 121.525 122.820 -0.017 0.000 2.195 59 A HA 0.450 4.770 4.320 -0.000 0.000 0.210 59 A C 1.917 179.490 177.584 -0.018 0.000 1.165 59 A CA 1.248 53.297 52.037 0.019 0.000 0.806 59 A CB -0.987 18.089 19.000 0.126 0.000 0.847 59 A HN 1.537 nan 8.150 nan 0.000 0.482 60 G N 0.105 108.878 108.800 -0.044 0.000 2.685 60 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.357 60 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.357 60 G C 1.281 176.135 174.900 -0.075 0.000 1.272 60 G CA 2.175 47.246 45.100 -0.048 0.000 0.972 60 G HN 0.935 nan 8.290 nan 0.000 0.550 61 V N 0.523 120.444 119.914 0.012 0.000 2.469 61 V HA -0.215 3.905 4.120 -0.000 0.000 0.251 61 V C 2.790 178.912 176.094 0.047 0.000 1.064 61 V CA 2.952 65.323 62.300 0.118 0.000 1.066 61 V CB -0.722 31.177 31.823 0.127 0.000 0.667 61 V HN 0.595 nan 8.190 nan 0.000 0.461 62 M N -0.383 119.212 119.600 -0.009 0.000 2.202 62 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 62 M C 2.089 178.332 176.300 -0.095 0.000 1.063 62 M CA 1.798 57.104 55.300 0.009 0.000 1.097 62 M CB -0.268 32.380 32.600 0.080 0.000 1.382 62 M HN 0.366 nan 8.290 nan 0.000 0.413 63 I N 0.328 120.741 120.570 -0.262 0.000 2.300 63 I HA -0.303 3.867 4.170 -0.000 0.000 0.252 63 I C 1.099 176.981 176.117 -0.391 0.000 1.119 63 I CA 1.744 62.799 61.300 -0.409 0.000 1.384 63 I CB -0.239 37.430 38.000 -0.551 0.000 1.062 63 I HN 0.237 nan 8.210 nan 0.000 0.426 64 F N 0.103 120.040 119.950 -0.021 0.000 2.797 64 F HA 0.297 4.823 4.527 -0.000 0.000 0.302 64 F C 1.905 177.691 175.800 -0.023 0.000 1.130 64 F CA 0.385 58.373 58.000 -0.020 0.000 1.387 64 F CB -0.863 38.132 39.000 -0.008 0.000 1.107 64 F HN 0.034 nan 8.300 nan 0.000 0.577 65 A N -0.077 122.793 122.820 0.083 0.000 2.833 65 A HA 0.219 4.539 4.320 -0.000 0.000 0.293 65 A C 0.641 178.230 177.584 0.009 0.000 1.338 65 A CA -0.177 51.896 52.037 0.060 0.000 0.959 65 A CB -0.712 18.326 19.000 0.063 0.000 1.094 65 A HN 0.194 nan 8.150 nan 0.000 0.569 66 E N 0.443 120.634 120.200 -0.015 0.000 2.149 66 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 66 E C -2.097 174.447 176.600 -0.093 0.000 1.384 66 E CA 0.818 57.193 56.400 -0.043 0.000 0.698 66 E CB -1.280 28.426 29.700 0.011 0.000 1.086 66 E HN 0.662 nan 8.360 nan 0.000 0.338 67 P HA 0.124 nan 4.420 nan 0.000 0.276 67 P C -0.036 176.965 177.300 -0.499 0.000 1.252 67 P CA -0.214 62.669 63.100 -0.362 0.000 0.802 67 P CB 0.574 31.862 31.700 -0.687 0.000 1.035 68 R N 1.181 121.435 120.500 -0.409 0.000 4.394 68 R HA 0.328 4.668 4.340 -0.000 0.000 0.257 68 R C -0.265 175.376 176.300 -1.098 0.000 1.727 68 R CA -0.100 55.718 56.100 -0.469 0.000 1.497 68 R CB -0.890 29.440 30.300 0.049 0.000 1.406 68 R HN 0.502 nan 8.270 nan 0.000 0.745 69 F N -2.854 116.431 119.950 -1.108 0.000 2.626 69 F HA 0.873 5.400 4.527 -0.000 0.000 0.311 69 F C -0.104 175.469 175.800 -0.377 0.000 1.088 69 F CA -1.199 56.223 58.000 -0.962 0.000 0.949 69 F CB 1.395 40.063 39.000 -0.553 0.000 1.322 69 F HN 0.005 nan 8.300 nan 0.000 0.461 70 G N -0.428 108.534 108.800 0.271 0.000 2.682 70 G HA2 0.554 4.514 3.960 -0.000 0.000 0.303 70 G HA3 0.554 4.514 3.960 -0.000 0.000 0.303 70 G C -1.908 173.161 174.900 0.282 0.000 1.341 70 G CA -0.478 44.820 45.100 0.329 0.000 0.784 70 G HN 1.020 nan 8.290 nan 0.000 0.497 71 T N -1.527 113.142 114.554 0.191 0.000 3.011 71 T HA 0.600 4.950 4.350 -0.000 0.000 0.303 71 T C -0.214 174.538 174.700 0.086 0.000 0.997 71 T CA 0.472 62.648 62.100 0.127 0.000 1.007 71 T CB 0.881 69.807 68.868 0.096 0.000 1.017 71 T HN 1.646 nan 8.240 nan 0.000 0.443 72 A N 4.788 127.647 122.820 0.065 0.000 2.666 72 A HA 0.518 4.838 4.320 -0.000 0.000 0.301 72 A C 0.879 178.475 177.584 0.020 0.000 1.470 72 A CA -0.396 51.660 52.037 0.033 0.000 1.159 72 A CB -0.996 18.012 19.000 0.014 0.000 1.116 72 A HN 1.550 nan 8.150 nan 0.000 0.548 73 V N 3.663 123.591 119.914 0.023 0.000 2.470 73 V HA 0.294 4.414 4.120 -0.000 0.000 0.276 73 V C 0.102 176.200 176.094 0.005 0.000 1.040 73 V CA -0.818 61.492 62.300 0.016 0.000 1.008 73 V CB 0.103 31.938 31.823 0.020 0.000 0.990 73 V HN 0.501 nan 8.190 nan 0.000 0.477 74 L N 5.966 127.189 121.223 0.001 0.000 2.584 74 L HA 0.266 4.606 4.340 -0.000 0.000 0.272 74 L C 0.805 177.674 176.870 -0.002 0.000 1.195 74 L CA 0.836 55.674 54.840 -0.004 0.000 0.920 74 L CB -0.720 41.336 42.059 -0.005 0.000 1.173 74 L HN 0.844 nan 8.230 nan 0.000 0.489 75 E N 2.047 122.245 120.200 -0.002 0.000 2.254 75 E HA 0.134 4.484 4.350 -0.000 0.000 0.258 75 E C 0.447 177.046 176.600 -0.001 0.000 1.033 75 E CA -0.686 55.713 56.400 -0.002 0.000 0.893 75 E CB 0.879 30.579 29.700 -0.001 0.000 1.204 75 E HN 0.444 nan 8.360 nan 0.000 0.425 76 E N 0.721 120.920 120.200 -0.001 0.000 2.097 76 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 76 E C 1.656 178.257 176.600 0.002 0.000 1.000 76 E CA 1.923 58.323 56.400 -0.000 0.000 0.804 76 E CB 0.042 29.741 29.700 -0.001 0.000 0.740 76 E HN 0.391 nan 8.360 nan 0.000 0.454 77 Q N 0.212 120.013 119.800 0.002 0.000 2.364 77 Q HA -0.072 4.268 4.340 -0.000 0.000 0.207 77 Q C 1.212 177.216 176.000 0.007 0.000 0.970 77 Q CA 1.375 57.181 55.803 0.005 0.000 0.888 77 Q CB 0.111 28.852 28.738 0.005 0.000 0.951 77 Q HN 0.332 nan 8.270 nan 0.000 0.469 78 D N -0.208 120.195 120.400 0.005 0.000 2.249 78 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 78 D C 1.432 177.738 176.300 0.009 0.000 0.962 78 D CA 0.414 54.417 54.000 0.005 0.000 0.860 78 D CB 0.271 41.069 40.800 -0.003 0.000 0.955 78 D HN 0.178 nan 8.370 nan 0.000 0.505 79 L N 1.545 122.772 121.223 0.007 0.000 2.005 79 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 79 L C 1.705 178.583 176.870 0.013 0.000 1.072 79 L CA 0.862 55.707 54.840 0.009 0.000 0.744 79 L CB -1.210 40.852 42.059 0.006 0.000 0.895 79 L HN -0.127 nan 8.230 nan 0.000 0.433 80 A N -0.093 122.734 122.820 0.011 0.000 3.065 80 A HA 0.465 4.785 4.320 -0.000 0.000 0.262 80 A C 1.035 178.628 177.584 0.014 0.000 1.901 80 A CA 0.653 52.696 52.037 0.011 0.000 1.475 80 A CB -1.755 17.250 19.000 0.008 0.000 0.984 80 A HN 0.586 nan 8.150 nan 0.000 0.618 81 G N -0.816 107.995 108.800 0.018 0.000 2.746 81 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.685 81 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.685 81 G C 0.097 175.014 174.900 0.028 0.000 1.350 81 G CA -0.247 44.865 45.100 0.020 0.000 0.837 81 G HN 1.021 nan 8.290 nan 0.000 0.564 82 L N 1.621 122.860 121.223 0.027 0.000 2.622 82 L HA 0.449 4.789 4.340 -0.000 0.000 0.233 82 L C 2.767 179.664 176.870 0.046 0.000 1.156 82 L CA 2.409 57.273 54.840 0.039 0.000 0.866 82 L CB -1.170 40.908 42.059 0.031 0.000 0.980 82 L HN 1.284 nan 8.230 nan 0.000 0.448 83 A N 0.534 123.375 122.820 0.035 0.000 2.240 83 A HA -0.251 4.069 4.320 -0.000 0.000 0.199 83 A C 1.468 179.086 177.584 0.057 0.000 1.172 83 A CA 2.119 54.176 52.037 0.034 0.000 0.807 83 A CB -0.921 18.092 19.000 0.022 0.000 0.830 83 A HN 0.529 nan 8.150 nan 0.000 0.527 84 D N -0.391 120.041 120.400 0.053 0.000 2.363 84 D HA 0.465 5.104 4.640 -0.000 0.000 0.214 84 D C 1.368 177.706 176.300 0.064 0.000 1.093 84 D CA 0.575 54.609 54.000 0.056 0.000 0.837 84 D CB 0.068 40.887 40.800 0.031 0.000 0.948 84 D HN 0.455 nan 8.370 nan 0.000 0.507 85 A N 0.757 123.622 122.820 0.076 0.000 1.940 85 A HA -0.330 3.990 4.320 -0.000 0.000 0.221 85 A C 1.621 179.186 177.584 -0.032 0.000 1.190 85 A CA 1.749 53.802 52.037 0.026 0.000 0.647 85 A CB -0.802 18.225 19.000 0.045 0.000 0.821 85 A HN 0.334 nan 8.150 nan 0.000 0.457 86 H N -1.320 117.753 119.070 0.006 0.000 2.436 86 H HA 0.060 4.616 4.556 -0.000 0.000 0.294 86 H C 2.029 177.361 175.328 0.007 0.000 1.048 86 H CA 1.509 57.561 56.048 0.007 0.000 1.353 86 H CB -0.006 29.759 29.762 0.005 0.000 1.414 86 H HN 0.559 nan 8.280 nan 0.000 0.536 87 K N 0.461 120.925 120.400 0.105 0.000 2.057 87 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 87 K C 2.062 178.681 176.600 0.030 0.000 1.050 87 K CA 1.341 57.662 56.287 0.056 0.000 0.935 87 K CB 0.268 32.794 32.500 0.043 0.000 0.715 87 K HN 0.116 nan 8.250 nan 0.000 0.439 88 E N 0.645 120.857 120.200 0.019 0.000 2.047 88 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 88 E C 1.828 178.422 176.600 -0.010 0.000 0.987 88 E CA 0.957 57.358 56.400 0.003 0.000 0.799 88 E CB -0.241 29.458 29.700 -0.001 0.000 0.752 88 E HN 0.228 nan 8.360 nan 0.000 0.449 89 L N 1.050 122.254 121.223 -0.030 0.000 2.012 89 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 89 L C 1.421 178.284 176.870 -0.012 0.000 1.073 89 L CA 2.245 57.058 54.840 -0.045 0.000 0.748 89 L CB -0.823 41.170 42.059 -0.111 0.000 0.891 89 L HN 0.100 nan 8.230 nan 0.000 0.431 90 D N -0.565 119.843 120.400 0.014 0.000 2.104 90 D HA -0.228 4.411 4.640 -0.000 0.000 0.194 90 D C 2.280 178.603 176.300 0.039 0.000 0.994 90 D CA 1.566 55.592 54.000 0.044 0.000 0.830 90 D CB -0.283 40.550 40.800 0.054 0.000 0.959 90 D HN 0.395 nan 8.370 nan 0.000 0.452 91 R N 0.932 121.445 120.500 0.021 0.000 2.096 91 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 91 R C 1.646 177.946 176.300 0.001 0.000 1.139 91 R CA 1.416 57.524 56.100 0.013 0.000 0.952 91 R CB -0.067 30.237 30.300 0.006 0.000 0.854 91 R HN 0.088 nan 8.270 nan 0.000 0.436 92 E N 0.311 120.505 120.200 -0.009 0.000 2.106 92 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 92 E C 2.165 178.735 176.600 -0.050 0.000 0.984 92 E CA 1.145 57.530 56.400 -0.026 0.000 0.806 92 E CB -0.155 29.531 29.700 -0.022 0.000 0.750 92 E HN 0.269 nan 8.360 nan 0.000 0.458 93 V N 1.686 121.573 119.914 -0.045 0.000 2.358 93 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 93 V C 2.466 178.500 176.094 -0.101 0.000 1.047 93 V CA 1.754 63.998 62.300 -0.093 0.000 1.035 93 V CB -0.894 30.884 31.823 -0.075 0.000 0.658 93 V HN 0.230 nan 8.190 nan 0.000 0.452 94 A N -0.007 122.823 122.820 0.016 0.000 1.877 94 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 94 A C 2.358 179.939 177.584 -0.005 0.000 1.186 94 A CA 2.225 54.313 52.037 0.084 0.000 0.620 94 A CB -0.581 18.485 19.000 0.110 0.000 0.822 94 A HN 0.500 nan 8.150 nan 0.000 0.443 95 K N -0.574 119.811 120.400 -0.025 0.000 2.044 95 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 95 K C 1.954 178.503 176.600 -0.085 0.000 1.049 95 K CA 1.981 58.241 56.287 -0.044 0.000 0.927 95 K CB -0.361 32.115 32.500 -0.039 0.000 0.713 95 K HN 0.393 nan 8.250 nan 0.000 0.443 96 L N 1.280 122.422 121.223 -0.135 0.000 2.044 96 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 96 L C 2.055 178.780 176.870 -0.241 0.000 1.075 96 L CA 1.410 56.110 54.840 -0.233 0.000 0.747 96 L CB -0.275 41.576 42.059 -0.346 0.000 0.903 96 L HN 0.196 nan 8.230 nan 0.000 0.435 97 L N -0.194 120.902 121.223 -0.213 0.000 2.217 97 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 97 L C 2.594 179.403 176.870 -0.102 0.000 1.107 97 L CA 1.345 56.076 54.840 -0.181 0.000 0.783 97 L CB -0.697 41.216 42.059 -0.243 0.000 0.919 97 L HN 0.525 nan 8.230 nan 0.000 0.442 98 E N 0.954 121.109 120.200 -0.074 0.000 2.046 98 E HA -0.282 4.068 4.350 -0.000 0.000 0.190 98 E C 2.158 178.724 176.600 -0.057 0.000 0.982 98 E CA 0.846 57.214 56.400 -0.053 0.000 0.800 98 E CB -0.353 29.328 29.700 -0.031 0.000 0.756 98 E HN 0.242 nan 8.360 nan 0.000 0.449 99 R N 0.732 121.193 120.500 -0.065 0.000 2.341 99 R HA -0.017 4.322 4.340 -0.000 0.000 0.213 99 R C 0.209 176.478 176.300 -0.051 0.000 1.082 99 R CA 0.747 56.814 56.100 -0.055 0.000 1.017 99 R CB 0.233 30.496 30.300 -0.062 0.000 0.860 99 R HN -0.042 nan 8.270 nan 0.000 0.473 100 R N -0.279 120.183 120.500 -0.064 0.000 2.837 100 R HA 0.156 4.496 4.340 -0.000 0.000 0.245 100 R C -2.402 173.889 176.300 -0.015 0.000 1.712 100 R CA -1.329 54.749 56.100 -0.037 0.000 1.539 100 R CB 1.668 31.923 30.300 -0.075 0.000 1.490 100 R HN 0.152 nan 8.270 nan 0.000 0.667 101 P HA -0.060 nan 4.420 nan 0.000 0.241 101 P C 0.582 177.949 177.300 0.112 0.000 1.191 101 P CA 0.668 63.758 63.100 -0.016 0.000 0.771 101 P CB 0.344 31.998 31.700 -0.077 0.000 0.929 102 D N -0.409 120.059 120.400 0.113 0.000 2.269 102 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 102 D C 0.781 177.179 176.300 0.165 0.000 0.963 102 D CA 0.389 54.476 54.000 0.145 0.000 0.864 102 D CB -0.544 40.320 40.800 0.107 0.000 0.936 102 D HN 0.087 nan 8.370 nan 0.000 0.505 103 I N 1.847 122.514 120.570 0.162 0.000 2.533 103 I HA 0.050 4.220 4.170 -0.000 0.000 0.284 103 I C 1.543 177.719 176.117 0.098 0.000 1.109 103 I CA 0.062 61.447 61.300 0.143 0.000 1.412 103 I CB 0.912 38.995 38.000 0.138 0.000 1.396 103 I HN -0.034 nan 8.210 nan 0.000 0.543 104 R N 4.277 124.792 120.500 0.025 0.000 2.316 104 R HA 0.211 4.551 4.340 -0.000 0.000 0.201 104 R C -0.089 176.186 176.300 -0.042 0.000 0.888 104 R CA 0.184 56.230 56.100 -0.091 0.000 1.041 104 R CB 0.546 30.761 30.300 -0.142 0.000 1.115 104 R HN 0.617 nan 8.270 nan 0.000 0.559 105 Q N 1.035 120.835 119.800 0.001 0.000 2.330 105 Q HA 0.426 4.766 4.340 -0.000 0.000 0.269 105 Q C -1.447 174.490 176.000 -0.106 0.000 1.022 105 Q CA -0.706 55.070 55.803 -0.044 0.000 0.796 105 Q CB 2.739 31.429 28.738 -0.079 0.000 1.271 105 Q HN -0.109 nan 8.270 nan 0.000 0.450 106 L N 2.517 123.636 121.223 -0.174 0.000 2.322 106 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 106 L C -1.778 174.945 176.870 -0.244 0.000 1.014 106 L CA -0.235 54.537 54.840 -0.113 0.000 0.815 106 L CB 0.820 42.834 42.059 -0.074 0.000 1.247 106 L HN 0.473 nan 8.230 nan 0.000 0.421 107 F N 5.687 125.615 119.950 -0.036 0.000 2.375 107 F HA 0.429 4.956 4.527 -0.000 0.000 0.361 107 F C -0.153 175.643 175.800 -0.006 0.000 1.117 107 F CA -0.515 57.467 58.000 -0.030 0.000 1.037 107 F CB 1.205 40.069 39.000 -0.227 0.000 1.192 107 F HN 0.238 nan 8.300 nan 0.000 0.452 108 L N 5.314 126.617 121.223 0.134 0.000 2.433 108 L HA 0.244 4.584 4.340 -0.000 0.000 0.284 108 L C -0.466 176.355 176.870 -0.083 0.000 1.120 108 L CA -0.457 54.409 54.840 0.042 0.000 0.879 108 L CB 0.021 42.094 42.059 0.023 0.000 1.232 108 L HN 0.279 nan 8.230 nan 0.000 0.454 109 V N 3.051 122.886 119.914 -0.132 0.000 2.364 109 V HA 0.354 4.474 4.120 -0.000 0.000 0.272 109 V C 0.937 176.910 176.094 -0.202 0.000 1.036 109 V CA -0.591 61.487 62.300 -0.371 0.000 0.880 109 V CB 1.239 32.875 31.823 -0.313 0.000 0.991 109 V HN 0.811 nan 8.190 nan 0.000 0.460 110 G N 3.742 112.424 108.800 -0.196 0.000 2.403 110 G HA2 0.487 4.447 3.960 -0.000 0.000 0.259 110 G HA3 0.487 4.447 3.960 -0.000 0.000 0.259 110 G C 0.223 175.090 174.900 -0.054 0.000 1.244 110 G CA 0.083 45.133 45.100 -0.083 0.000 0.849 110 G HN 0.867 nan 8.290 nan 0.000 0.532 111 S N 0.443 116.125 115.700 -0.030 0.000 2.767 111 S HA 0.274 4.744 4.470 -0.000 0.000 0.300 111 S C 1.416 176.014 174.600 -0.003 0.000 1.123 111 S CA -0.412 57.779 58.200 -0.015 0.000 0.992 111 S CB 1.162 64.355 63.200 -0.013 0.000 1.138 111 S HN 0.553 nan 8.310 nan 0.000 0.550 112 C N 1.227 120.528 119.300 0.002 0.000 2.413 112 C HA 0.042 4.502 4.460 -0.000 0.000 0.277 112 C C -0.384 174.609 174.990 0.005 0.000 1.228 112 C CA 1.351 60.373 59.018 0.006 0.000 1.731 112 C CB -2.276 25.468 27.740 0.006 0.000 2.042 112 C HN 0.757 nan 8.230 nan 0.000 0.468 113 P HA -0.124 nan 4.420 nan 0.000 0.215 113 P C 1.909 179.210 177.300 0.003 0.000 1.153 113 P CA 2.653 65.755 63.100 0.002 0.000 0.853 113 P CB -0.274 31.426 31.700 0.000 0.000 0.788 114 S N -0.758 114.941 115.700 -0.001 0.000 2.383 114 S HA -0.176 4.294 4.470 -0.000 0.000 0.227 114 S C 1.945 176.550 174.600 0.009 0.000 1.026 114 S CA 1.214 59.413 58.200 -0.003 0.000 0.981 114 S CB -1.048 62.143 63.200 -0.015 0.000 0.818 114 S HN 0.160 nan 8.310 nan 0.000 0.472 115 E N 0.558 120.765 120.200 0.011 0.000 2.072 115 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 115 E C 2.149 178.761 176.600 0.020 0.000 0.982 115 E CA 1.035 57.447 56.400 0.019 0.000 0.803 115 E CB -0.219 29.492 29.700 0.019 0.000 0.755 115 E HN 0.376 nan 8.360 nan 0.000 0.453 116 V N 1.273 121.196 119.914 0.016 0.000 2.392 116 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 116 V C 2.010 178.115 176.094 0.018 0.000 1.059 116 V CA 1.156 63.465 62.300 0.016 0.000 1.051 116 V CB -0.276 31.554 31.823 0.012 0.000 0.658 116 V HN 0.281 nan 8.190 nan 0.000 0.455 117 L N -0.148 121.086 121.223 0.018 0.000 2.465 117 L HA 0.043 4.382 4.340 -0.000 0.000 0.224 117 L C 1.369 178.259 176.870 0.034 0.000 1.145 117 L CA 0.973 55.826 54.840 0.023 0.000 0.834 117 L CB -1.366 40.705 42.059 0.019 0.000 0.944 117 L HN 0.449 nan 8.230 nan 0.000 0.451 118 K N 0.181 120.601 120.400 0.034 0.000 3.077 118 K HA -0.202 4.118 4.320 -0.000 0.000 0.264 118 K C -0.259 176.383 176.600 0.071 0.000 1.008 118 K CA 0.213 56.527 56.287 0.044 0.000 0.740 118 K CB -2.076 30.447 32.500 0.037 0.000 1.273 118 K HN 0.306 nan 8.250 nan 0.000 0.477 119 L N 0.637 121.906 121.223 0.076 0.000 2.410 119 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 119 L C 0.969 177.932 176.870 0.154 0.000 1.152 119 L CA -0.254 54.668 54.840 0.136 0.000 0.855 119 L CB 0.310 42.384 42.059 0.024 0.000 1.129 119 L HN 0.030 nan 8.230 nan 0.000 0.463 120 D N 3.193 123.754 120.400 0.268 0.000 2.517 120 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 120 D C 0.881 177.315 176.300 0.225 0.000 1.158 120 D CA -0.267 53.844 54.000 0.185 0.000 0.992 120 D CB 0.872 41.729 40.800 0.095 0.000 1.058 120 D HN 0.367 nan 8.370 nan 0.000 0.516 121 L N 2.372 123.669 121.223 0.123 0.000 2.131 121 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 121 L C 1.835 178.754 176.870 0.082 0.000 1.092 121 L CA 1.279 56.166 54.840 0.078 0.000 0.759 121 L CB -0.328 41.749 42.059 0.029 0.000 0.903 121 L HN 0.281 nan 8.230 nan 0.000 0.435 122 D N -0.866 119.583 120.400 0.082 0.000 2.092 122 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 122 D C 2.326 178.660 176.300 0.056 0.000 0.994 122 D CA 0.985 55.025 54.000 0.067 0.000 0.828 122 D CB -0.073 40.763 40.800 0.061 0.000 0.963 122 D HN 0.212 nan 8.370 nan 0.000 0.450 123 R N 0.549 121.088 120.500 0.065 0.000 2.081 123 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 123 R C 2.141 178.485 176.300 0.074 0.000 1.131 123 R CA 1.255 57.380 56.100 0.042 0.000 0.960 123 R CB -0.179 30.121 30.300 0.000 0.000 0.856 123 R HN 0.096 nan 8.270 nan 0.000 0.436 124 A N 0.778 123.691 122.820 0.155 0.000 1.883 124 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 124 A C 2.348 179.974 177.584 0.070 0.000 1.186 124 A CA 1.896 54.033 52.037 0.166 0.000 0.624 124 A CB -0.762 18.328 19.000 0.149 0.000 0.822 124 A HN 0.500 nan 8.150 nan 0.000 0.444 125 A N -0.735 122.110 122.820 0.042 0.000 1.908 125 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 125 A C 2.054 179.620 177.584 -0.030 0.000 1.181 125 A CA 1.860 53.895 52.037 -0.004 0.000 0.627 125 A CB -0.504 18.492 19.000 -0.007 0.000 0.818 125 A HN 0.677 nan 8.150 nan 0.000 0.445 126 E N -0.514 119.676 120.200 -0.015 0.000 2.028 126 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 126 E C 2.347 178.936 176.600 -0.018 0.000 0.988 126 E CA 1.077 57.458 56.400 -0.031 0.000 0.799 126 E CB -0.189 29.500 29.700 -0.020 0.000 0.755 126 E HN 0.617 nan 8.360 nan 0.000 0.447 127 R N 0.317 120.820 120.500 0.004 0.000 2.096 127 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 127 R C 2.177 178.488 176.300 0.018 0.000 1.139 127 R CA 1.512 57.617 56.100 0.009 0.000 0.952 127 R CB -0.304 30.010 30.300 0.024 0.000 0.854 127 R HN 0.178 nan 8.270 nan 0.000 0.436 128 L N 1.035 122.285 121.223 0.045 0.000 2.093 128 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 128 L C 2.392 179.328 176.870 0.109 0.000 1.085 128 L CA 1.549 56.456 54.840 0.113 0.000 0.755 128 L CB -0.844 41.277 42.059 0.103 0.000 0.904 128 L HN 0.214 nan 8.230 nan 0.000 0.435 129 S N -0.286 115.418 115.700 0.006 0.000 2.359 129 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 129 S C 2.038 176.631 174.600 -0.011 0.000 1.035 129 S CA 1.159 59.338 58.200 -0.034 0.000 1.018 129 S CB -0.783 62.347 63.200 -0.115 0.000 0.876 129 S HN 0.587 nan 8.310 nan 0.000 0.448 130 G N 2.215 111.003 108.800 -0.020 0.000 2.545 130 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 130 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 130 G C 1.192 176.067 174.900 -0.042 0.000 1.218 130 G CA 0.974 46.058 45.100 -0.028 0.000 0.787 130 G HN 0.376 nan 8.290 nan 0.000 0.571 131 L N 0.106 121.289 121.223 -0.066 0.000 2.261 131 L HA 0.022 4.362 4.340 -0.000 0.000 0.216 131 L C 1.936 178.611 176.870 -0.325 0.000 1.114 131 L CA 1.467 56.187 54.840 -0.201 0.000 0.777 131 L CB -0.784 41.113 42.059 -0.269 0.000 0.910 131 L HN 0.413 nan 8.230 nan 0.000 0.440 132 H N -2.315 116.743 119.070 -0.019 0.000 2.784 132 H HA 0.492 5.048 4.556 -0.000 0.000 0.273 132 H C 0.850 176.184 175.328 0.009 0.000 1.112 132 H CA 0.102 56.147 56.048 -0.005 0.000 1.162 132 H CB 0.290 30.048 29.762 -0.006 0.000 1.586 132 H HN 0.177 nan 8.280 nan 0.000 0.548 133 A N 1.931 124.793 122.820 0.070 0.000 2.466 133 A HA 0.143 4.463 4.320 -0.000 0.000 0.238 133 A C -0.872 176.742 177.584 0.050 0.000 1.074 133 A CA -0.780 51.281 52.037 0.041 0.000 0.774 133 A CB 0.224 19.226 19.000 0.004 0.000 1.015 133 A HN 0.247 nan 8.150 nan 0.000 0.498 134 P HA -0.020 nan 4.420 nan 0.000 0.252 134 P C 1.032 178.365 177.300 0.054 0.000 1.218 134 P CA 0.690 63.814 63.100 0.040 0.000 0.807 134 P CB 0.004 31.723 31.700 0.031 0.000 1.072 135 H N 0.678 119.759 119.070 0.018 0.000 2.387 135 H HA 0.007 4.563 4.556 -0.000 0.000 0.299 135 H C -0.287 175.050 175.328 0.015 0.000 1.099 135 H CA 1.115 57.175 56.048 0.020 0.000 1.315 135 H CB 0.377 30.154 29.762 0.026 0.000 1.380 135 H HN -0.090 nan 8.280 nan 0.000 0.513 136 V N 2.942 122.894 119.914 0.063 0.000 2.577 136 V HA 0.330 4.450 4.120 -0.000 0.000 0.303 136 V C -0.345 175.730 176.094 -0.032 0.000 1.042 136 V CA -0.847 61.456 62.300 0.005 0.000 0.872 136 V CB 2.133 33.983 31.823 0.045 0.000 0.998 136 V HN 0.177 nan 8.190 nan 0.000 0.423 137 R N 2.924 123.378 120.500 -0.078 0.000 2.294 137 R HA 0.649 4.989 4.340 -0.000 0.000 0.319 137 R C -0.751 175.396 176.300 -0.254 0.000 0.984 137 R CA -0.517 55.477 56.100 -0.177 0.000 0.861 137 R CB 2.268 32.453 30.300 -0.190 0.000 1.104 137 R HN 0.548 nan 8.270 nan 0.000 0.451 138 V N 4.336 124.053 119.914 -0.327 0.000 2.459 138 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 138 V C -1.271 174.580 176.094 -0.405 0.000 1.029 138 V CA -0.520 61.610 62.300 -0.283 0.000 0.874 138 V CB 0.913 32.653 31.823 -0.138 0.000 0.985 138 V HN 0.648 nan 8.190 nan 0.000 0.438 139 Y N 3.559 123.681 120.300 -0.297 0.000 2.602 139 Y HA 0.775 5.325 4.550 -0.000 0.000 0.330 139 Y C 0.581 176.495 175.900 0.023 0.000 1.114 139 Y CA -0.593 57.422 58.100 -0.141 0.000 1.182 139 Y CB 2.187 40.525 38.460 -0.203 0.000 1.305 139 Y HN 0.695 nan 8.280 nan 0.000 0.502 140 S N 0.888 116.780 115.700 0.319 0.000 2.547 140 S HA 0.735 5.205 4.470 -0.000 0.000 0.281 140 S C -1.883 172.927 174.600 0.351 0.000 1.118 140 S CA -0.478 57.861 58.200 0.231 0.000 0.947 140 S CB 0.695 63.973 63.200 0.129 0.000 1.053 140 S HN 0.615 nan 8.310 nan 0.000 0.482 141 Y N -0.262 120.151 120.300 0.188 0.000 2.641 141 Y HA 0.638 5.188 4.550 -0.000 0.000 0.333 141 Y C -0.729 175.231 175.900 0.099 0.000 1.174 141 Y CA -0.952 57.231 58.100 0.139 0.000 1.057 141 Y CB 0.925 39.472 38.460 0.145 0.000 1.322 141 Y HN 0.480 nan 8.280 nan 0.000 0.457 142 T N 0.733 115.410 114.554 0.204 0.000 2.806 142 T HA 0.552 4.902 4.350 -0.000 0.000 0.290 142 T C 0.548 175.343 174.700 0.157 0.000 0.966 142 T CA 0.237 62.390 62.100 0.088 0.000 1.060 142 T CB 0.392 69.313 68.868 0.088 0.000 0.927 142 T HN 1.221 nan 8.240 nan 0.000 0.485 143 G N 2.709 111.531 108.800 0.035 0.000 3.839 143 G HA2 0.277 4.236 3.960 -0.000 0.000 0.286 143 G HA3 0.277 4.236 3.960 -0.000 0.000 0.286 143 G C 0.417 175.336 174.900 0.031 0.000 1.005 143 G CA -0.051 45.087 45.100 0.064 0.000 0.824 143 G HN 0.903 nan 8.290 nan 0.000 0.489 144 S N -0.523 115.193 115.700 0.027 0.000 2.585 144 S HA 0.441 4.911 4.470 -0.000 0.000 0.273 144 S C 1.779 176.398 174.600 0.031 0.000 1.339 144 S CA 0.405 58.617 58.200 0.020 0.000 1.028 144 S CB 1.641 64.851 63.200 0.016 0.000 0.906 144 S HN 0.307 nan 8.310 nan 0.000 0.528 145 G N 1.420 110.235 108.800 0.026 0.000 2.442 145 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.219 145 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.219 145 G C 1.225 176.142 174.900 0.028 0.000 1.141 145 G CA 0.918 46.035 45.100 0.029 0.000 0.763 145 G HN 0.729 nan 8.290 nan 0.000 0.554 146 L N 0.242 121.478 121.223 0.023 0.000 2.127 146 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 146 L C 1.826 178.711 176.870 0.024 0.000 1.089 146 L CA 1.381 56.234 54.840 0.022 0.000 0.757 146 L CB -0.188 41.882 42.059 0.020 0.000 0.899 146 L HN 0.143 nan 8.230 nan 0.000 0.434 147 D N -1.850 118.566 120.400 0.026 0.000 2.454 147 D HA 0.073 4.713 4.640 -0.000 0.000 0.214 147 D C 0.632 176.942 176.300 0.017 0.000 1.088 147 D CA 0.617 54.629 54.000 0.021 0.000 0.855 147 D CB 0.702 41.519 40.800 0.029 0.000 1.025 147 D HN 0.299 nan 8.370 nan 0.000 0.502 148 T N -1.763 112.813 114.554 0.035 0.000 2.916 148 T HA 0.557 4.907 4.350 -0.000 0.000 0.305 148 T C -0.531 174.215 174.700 0.077 0.000 1.119 148 T CA -0.698 61.427 62.100 0.043 0.000 1.008 148 T CB 2.254 71.151 68.868 0.049 0.000 1.129 148 T HN -0.301 nan 8.240 nan 0.000 0.480 149 T N 3.506 118.120 114.554 0.100 0.000 2.788 149 T HA 0.515 4.865 4.350 -0.000 0.000 0.296 149 T C 0.250 175.104 174.700 0.256 0.000 1.009 149 T CA -0.435 61.769 62.100 0.173 0.000 0.949 149 T CB -0.118 68.856 68.868 0.175 0.000 0.946 149 T HN 0.777 nan 8.240 nan 0.000 0.453 150 F N 2.115 122.113 119.950 0.080 0.000 2.640 150 F HA -0.443 4.084 4.527 -0.000 0.000 0.227 150 F C 2.422 178.232 175.800 0.017 0.000 1.481 150 F CA 2.151 60.198 58.000 0.079 0.000 1.964 150 F CB -1.097 37.961 39.000 0.096 0.000 0.564 150 F HN 0.613 nan 8.300 nan 0.000 0.224 151 T N -0.557 113.726 114.554 -0.452 0.000 2.822 151 T HA -0.281 4.069 4.350 -0.000 0.000 0.270 151 T C 1.364 175.785 174.700 -0.464 0.000 1.064 151 T CA 1.851 63.507 62.100 -0.741 0.000 1.131 151 T CB -0.603 67.266 68.868 -1.665 0.000 0.858 151 T HN 0.659 nan 8.240 nan 0.000 0.483 152 Q N 0.719 120.422 119.800 -0.162 0.000 2.297 152 Q HA -0.058 4.282 4.340 -0.000 0.000 0.208 152 Q C 2.592 178.575 176.000 -0.029 0.000 0.981 152 Q CA 1.200 56.989 55.803 -0.022 0.000 0.876 152 Q CB -0.657 28.095 28.738 0.022 0.000 0.921 152 Q HN 0.803 nan 8.270 nan 0.000 0.446 153 G N 0.959 109.717 108.800 -0.070 0.000 2.422 153 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 153 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 153 G C 1.158 175.954 174.900 -0.172 0.000 1.146 153 G CA 0.980 46.036 45.100 -0.074 0.000 0.769 153 G HN 0.463 nan 8.290 nan 0.000 0.547 154 E N 0.376 120.470 120.200 -0.177 0.000 2.051 154 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 154 E C 2.033 178.594 176.600 -0.065 0.000 0.991 154 E CA 1.347 57.683 56.400 -0.107 0.000 0.799 154 E CB -0.232 29.567 29.700 0.165 0.000 0.748 154 E HN 0.309 nan 8.360 nan 0.000 0.449 155 D N -0.319 120.111 120.400 0.051 0.000 2.104 155 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 155 D C 2.016 178.281 176.300 -0.058 0.000 0.994 155 D CA 2.484 56.519 54.000 0.058 0.000 0.830 155 D CB -0.388 40.497 40.800 0.141 0.000 0.959 155 D HN 0.384 nan 8.370 nan 0.000 0.452 156 T N -1.660 112.836 114.554 -0.096 0.000 2.777 156 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 156 T C 2.491 176.952 174.700 -0.398 0.000 1.040 156 T CA 1.239 63.275 62.100 -0.107 0.000 1.141 156 T CB -1.300 67.615 68.868 0.079 0.000 0.868 156 T HN 0.335 nan 8.240 nan 0.000 0.444 157 C N 1.374 120.129 119.300 -0.908 0.000 2.413 157 C HA 0.010 4.470 4.460 -0.000 0.000 0.278 157 C C 2.705 177.395 174.990 -0.501 0.000 1.224 157 C CA 0.690 58.908 59.018 -1.334 0.000 1.732 157 C CB -1.643 25.384 27.740 -1.189 0.000 2.050 157 C HN 0.633 nan 8.230 nan 0.000 0.463 158 L N 1.096 122.137 121.223 -0.304 0.000 2.042 158 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 158 L C 3.017 179.833 176.870 -0.091 0.000 1.076 158 L CA 1.881 56.631 54.840 -0.151 0.000 0.749 158 L CB -0.884 41.121 42.059 -0.090 0.000 0.893 158 L HN 0.524 nan 8.230 nan 0.000 0.432 159 A N -0.215 122.558 122.820 -0.079 0.000 1.972 159 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 159 A C 2.466 180.066 177.584 0.027 0.000 1.169 159 A CA 1.618 53.642 52.037 -0.022 0.000 0.635 159 A CB -0.522 18.477 19.000 -0.002 0.000 0.810 159 A HN 0.434 nan 8.150 nan 0.000 0.446 160 A N -1.107 121.739 122.820 0.043 0.000 1.968 160 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 160 A C 2.173 179.888 177.584 0.219 0.000 1.169 160 A CA 1.467 53.606 52.037 0.171 0.000 0.638 160 A CB -0.401 18.777 19.000 0.297 0.000 0.812 160 A HN 0.510 nan 8.150 nan 0.000 0.446 161 M N -0.835 118.832 119.600 0.111 0.000 2.200 161 M HA -0.094 4.385 4.480 -0.000 0.000 0.265 161 M C 2.033 178.401 176.300 0.114 0.000 1.066 161 M CA 0.972 56.324 55.300 0.086 0.000 1.127 161 M CB -0.224 32.339 32.600 -0.062 0.000 1.379 161 M HN 0.274 nan 8.290 nan 0.000 0.420 162 V N 1.348 121.293 119.914 0.052 0.000 2.220 162 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 162 V C -0.678 175.447 176.094 0.051 0.000 1.056 162 V CA 2.315 64.629 62.300 0.024 0.000 1.016 162 V CB -2.224 29.586 31.823 -0.021 0.000 0.639 162 V HN 0.296 nan 8.190 nan 0.000 0.446 163 P HA -0.189 nan 4.420 nan 0.000 0.218 163 P C 1.654 178.994 177.300 0.066 0.000 1.150 163 P CA 2.472 65.608 63.100 0.061 0.000 0.841 163 P CB -0.356 31.386 31.700 0.069 0.000 0.784 164 T N -4.674 109.942 114.554 0.104 0.000 3.107 164 T HA 0.140 4.490 4.350 -0.000 0.000 0.249 164 T C 0.708 175.461 174.700 0.089 0.000 1.096 164 T CA -0.171 61.986 62.100 0.096 0.000 1.012 164 T CB -0.776 68.169 68.868 0.129 0.000 0.977 164 T HN -0.083 nan 8.240 nan 0.000 0.527 165 L N 2.416 123.686 121.223 0.079 0.000 2.461 165 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 165 L C 0.339 177.234 176.870 0.042 0.000 1.197 165 L CA -0.546 54.330 54.840 0.059 0.000 0.836 165 L CB 0.209 42.291 42.059 0.039 0.000 1.105 165 L HN 0.221 nan 8.230 nan 0.000 0.477 166 D N 1.329 121.752 120.400 0.037 0.000 2.478 166 D HA 0.029 4.669 4.640 -0.000 0.000 0.234 166 D C 0.067 176.383 176.300 0.026 0.000 1.154 166 D CA 0.359 54.376 54.000 0.029 0.000 0.874 166 D CB 0.682 41.498 40.800 0.026 0.000 1.198 166 D HN 0.472 nan 8.370 nan 0.000 0.455 167 T N 0.969 115.537 114.554 0.023 0.000 2.889 167 T HA 0.458 4.808 4.350 -0.000 0.000 0.291 167 T C 0.484 175.198 174.700 0.023 0.000 0.995 167 T CA -0.441 61.673 62.100 0.023 0.000 1.092 167 T CB 1.615 70.496 68.868 0.020 0.000 0.954 167 T HN 0.255 nan 8.240 nan 0.000 0.506 168 T N 0.318 114.887 114.554 0.025 0.000 2.816 168 T HA 0.395 4.745 4.350 -0.000 0.000 0.299 168 T C -0.215 174.501 174.700 0.026 0.000 1.230 168 T CA -0.695 61.420 62.100 0.025 0.000 1.007 168 T CB 1.661 70.546 68.868 0.028 0.000 1.289 168 T HN 0.820 nan 8.240 nan 0.000 0.508 169 E N 0.558 120.773 120.200 0.024 0.000 2.601 169 E HA 0.574 4.924 4.350 -0.000 0.000 0.219 169 E C 0.346 176.961 176.600 0.024 0.000 0.964 169 E CA -0.496 55.918 56.400 0.023 0.000 1.050 169 E CB 0.589 30.300 29.700 0.017 0.000 1.068 169 E HN 0.521 nan 8.360 nan 0.000 0.496 170 A N 1.426 124.264 122.820 0.029 0.000 2.401 170 A HA 0.608 4.928 4.320 -0.000 0.000 0.259 170 A C 0.417 178.027 177.584 0.043 0.000 1.103 170 A CA -0.020 52.037 52.037 0.033 0.000 0.789 170 A CB 0.473 19.494 19.000 0.035 0.000 1.035 170 A HN 0.394 nan 8.150 nan 0.000 0.491 171 A N 3.157 126.003 122.820 0.043 0.000 2.544 171 A HA 0.485 4.805 4.320 -0.000 0.000 0.301 171 A C 0.231 177.876 177.584 0.101 0.000 1.368 171 A CA -0.032 52.037 52.037 0.053 0.000 1.045 171 A CB -0.364 18.648 19.000 0.020 0.000 1.129 171 A HN 0.845 nan 8.150 nan 0.000 0.540 172 E N 1.238 121.504 120.200 0.111 0.000 2.299 172 E HA 0.500 4.850 4.350 -0.000 0.000 0.265 172 E C -1.163 175.533 176.600 0.160 0.000 0.911 172 E CA -0.819 55.657 56.400 0.126 0.000 0.789 172 E CB 2.157 31.907 29.700 0.084 0.000 1.246 172 E HN 0.602 nan 8.360 nan 0.000 0.427 173 L N 3.275 124.581 121.223 0.139 0.000 2.295 173 L HA 0.509 4.849 4.340 -0.000 0.000 0.285 173 L C -1.081 175.854 176.870 0.109 0.000 1.035 173 L CA -0.510 54.409 54.840 0.132 0.000 0.806 173 L CB 0.643 42.716 42.059 0.022 0.000 1.214 173 L HN 0.499 nan 8.230 nan 0.000 0.426 174 I N 5.192 125.855 120.570 0.155 0.000 2.389 174 I HA 0.270 4.440 4.170 -0.000 0.000 0.288 174 I C -0.366 175.865 176.117 0.190 0.000 0.999 174 I CA -0.779 60.610 61.300 0.148 0.000 1.129 174 I CB 2.002 40.081 38.000 0.131 0.000 1.288 174 I HN 0.203 nan 8.210 nan 0.000 0.444 175 V N 7.291 127.306 119.914 0.169 0.000 2.406 175 V HA 0.242 4.362 4.120 -0.000 0.000 0.272 175 V C 0.201 176.396 176.094 0.169 0.000 1.043 175 V CA -0.534 61.907 62.300 0.236 0.000 0.915 175 V CB 1.449 33.434 31.823 0.270 0.000 0.988 175 V HN 0.398 nan 8.190 nan 0.000 0.466 176 V N 4.049 124.078 119.914 0.191 0.000 2.394 176 V HA 0.953 5.073 4.120 -0.000 0.000 0.282 176 V C 0.532 176.655 176.094 0.049 0.000 1.031 176 V CA 0.160 62.521 62.300 0.103 0.000 0.881 176 V CB 0.927 32.812 31.823 0.103 0.000 0.982 176 V HN 1.244 nan 8.190 nan 0.000 0.451 177 G N 3.482 112.285 108.800 0.004 0.000 2.801 177 G HA2 0.448 4.408 3.960 -0.000 0.000 0.648 177 G HA3 0.448 4.408 3.960 -0.000 0.000 0.648 177 G C -0.472 174.413 174.900 -0.026 0.000 1.415 177 G CA -0.443 44.634 45.100 -0.038 0.000 0.887 177 G HN 1.316 nan 8.290 nan 0.000 0.627 178 A N 1.835 124.679 122.820 0.039 0.000 2.491 178 A HA 0.671 4.991 4.320 -0.000 0.000 0.261 178 A C 0.532 178.083 177.584 -0.055 0.000 1.101 178 A CA 0.416 52.475 52.037 0.037 0.000 0.772 178 A CB 0.052 19.141 19.000 0.149 0.000 1.043 178 A HN 1.229 nan 8.150 nan 0.000 0.501 179 L N 3.453 124.618 121.223 -0.096 0.000 2.323 179 L HA 0.475 4.815 4.340 -0.000 0.000 0.265 179 L C -2.288 174.527 176.870 -0.093 0.000 1.012 179 L CA -2.393 52.344 54.840 -0.172 0.000 0.820 179 L CB 1.991 43.915 42.059 -0.225 0.000 1.334 179 L HN 0.385 nan 8.230 nan 0.000 0.427 180 P HA -0.016 nan 4.420 nan 0.000 0.266 180 P C -0.517 176.756 177.300 -0.046 0.000 1.193 180 P CA 0.166 63.241 63.100 -0.042 0.000 0.770 180 P CB 0.481 32.163 31.700 -0.030 0.000 0.836 181 D N 0.820 121.203 120.400 -0.029 0.000 2.178 181 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 181 D C 1.654 177.928 176.300 -0.043 0.000 0.980 181 D CA 0.993 54.974 54.000 -0.033 0.000 0.842 181 D CB -0.319 40.471 40.800 -0.018 0.000 0.948 181 D HN 0.081 nan 8.370 nan 0.000 0.472 182 V N 0.309 120.202 119.914 -0.035 0.000 2.261 182 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 182 V C 2.436 178.491 176.094 -0.065 0.000 1.047 182 V CA 1.198 63.476 62.300 -0.037 0.000 1.015 182 V CB -0.789 31.024 31.823 -0.017 0.000 0.642 182 V HN 0.127 nan 8.190 nan 0.000 0.446 183 V N 0.093 119.968 119.914 -0.066 0.000 2.307 183 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 183 V C 2.550 178.531 176.094 -0.187 0.000 1.045 183 V CA 2.283 64.532 62.300 -0.086 0.000 1.024 183 V CB -0.671 31.127 31.823 -0.042 0.000 0.651 183 V HN 0.667 nan 8.190 nan 0.000 0.449 184 E N 0.015 120.128 120.200 -0.144 0.000 2.130 184 E HA -0.298 4.052 4.350 -0.000 0.000 0.196 184 E C 1.797 178.293 176.600 -0.173 0.000 0.998 184 E CA 1.776 58.085 56.400 -0.153 0.000 0.806 184 E CB -0.067 29.579 29.700 -0.090 0.000 0.738 184 E HN 0.612 nan 8.360 nan 0.000 0.459 185 D N 0.122 120.439 120.400 -0.140 0.000 2.123 185 D HA -0.118 4.521 4.640 -0.000 0.000 0.200 185 D C 2.049 178.249 176.300 -0.167 0.000 0.976 185 D CA 0.740 54.665 54.000 -0.124 0.000 0.831 185 D CB -0.231 40.520 40.800 -0.080 0.000 0.974 185 D HN 0.310 nan 8.370 nan 0.000 0.469 186 Q N 0.156 119.834 119.800 -0.204 0.000 2.030 186 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 186 Q C 2.463 178.230 176.000 -0.388 0.000 0.986 186 Q CA 1.405 57.065 55.803 -0.238 0.000 0.843 186 Q CB -0.416 28.186 28.738 -0.226 0.000 0.904 186 Q HN 0.342 nan 8.270 nan 0.000 0.420 187 C N 0.535 119.436 119.300 -0.664 0.000 2.388 187 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 187 C C 2.512 177.300 174.990 -0.337 0.000 1.210 187 C CA 0.730 59.245 59.018 -0.838 0.000 1.743 187 C CB -1.109 26.035 27.740 -0.993 0.000 2.047 187 C HN 0.508 nan 8.230 nan 0.000 0.458 188 L N 1.407 122.493 121.223 -0.227 0.000 2.013 188 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 188 L C 2.958 179.766 176.870 -0.102 0.000 1.073 188 L CA 2.525 57.293 54.840 -0.121 0.000 0.753 188 L CB -1.614 40.389 42.059 -0.094 0.000 0.890 188 L HN 0.634 nan 8.230 nan 0.000 0.432 189 S N -0.993 114.639 115.700 -0.114 0.000 2.348 189 S HA -0.190 4.280 4.470 -0.000 0.000 0.221 189 S C 2.154 176.713 174.600 -0.069 0.000 1.033 189 S CA 1.547 59.699 58.200 -0.082 0.000 1.010 189 S CB -0.283 62.871 63.200 -0.077 0.000 0.891 189 S HN 0.401 nan 8.310 nan 0.000 0.442 190 L N 1.076 122.250 121.223 -0.083 0.000 2.042 190 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 190 L C 2.524 179.382 176.870 -0.020 0.000 1.076 190 L CA 1.294 56.111 54.840 -0.038 0.000 0.749 190 L CB -0.551 41.497 42.059 -0.018 0.000 0.893 190 L HN 0.355 nan 8.230 nan 0.000 0.432 191 L N -1.243 119.962 121.223 -0.031 0.000 2.056 191 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 191 L C 2.589 179.426 176.870 -0.055 0.000 1.078 191 L CA 1.431 56.251 54.840 -0.033 0.000 0.749 191 L CB -0.926 41.109 42.059 -0.040 0.000 0.901 191 L HN 0.256 nan 8.230 nan 0.000 0.433 192 T N -0.881 113.642 114.554 -0.052 0.000 2.788 192 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 192 T C 1.889 176.570 174.700 -0.031 0.000 1.044 192 T CA 1.239 63.312 62.100 -0.045 0.000 1.139 192 T CB -0.157 68.687 68.868 -0.040 0.000 0.867 192 T HN 0.394 nan 8.240 nan 0.000 0.454 193 Q N 0.296 120.080 119.800 -0.027 0.000 2.167 193 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 193 Q C 2.222 178.218 176.000 -0.007 0.000 0.970 193 Q CA 0.808 56.600 55.803 -0.019 0.000 0.855 193 Q CB -0.286 28.437 28.738 -0.024 0.000 0.911 193 Q HN 0.473 nan 8.270 nan 0.000 0.438 194 L N -0.794 120.430 121.223 0.000 0.000 2.376 194 L HA 0.006 4.346 4.340 -0.000 0.000 0.219 194 L C 1.204 178.085 176.870 0.020 0.000 1.133 194 L CA 0.712 55.571 54.840 0.031 0.000 0.816 194 L CB -0.155 41.944 42.059 0.066 0.000 0.933 194 L HN 0.464 nan 8.230 nan 0.000 0.449 195 G N -0.089 108.705 108.800 -0.010 0.000 2.131 195 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.223 195 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.223 195 G C 0.070 174.940 174.900 -0.051 0.000 0.990 195 G CA -0.067 45.026 45.100 -0.012 0.000 0.671 195 G HN 0.080 nan 8.290 nan 0.000 0.521 196 V N 0.416 120.251 119.914 -0.132 0.000 2.498 196 V HA 0.807 4.927 4.120 -0.000 0.000 0.279 196 V C 0.912 176.877 176.094 -0.215 0.000 1.048 196 V CA 0.687 62.795 62.300 -0.320 0.000 0.967 196 V CB 1.181 32.678 31.823 -0.543 0.000 0.988 196 V HN 1.358 nan 8.190 nan 0.000 0.473 197 G N 5.068 113.764 108.800 -0.173 0.000 2.547 197 G HA2 0.644 4.604 3.960 -0.000 0.000 0.291 197 G HA3 0.644 4.604 3.960 -0.000 0.000 0.291 197 G C -3.289 171.611 174.900 0.001 0.000 1.471 197 G CA -0.764 44.294 45.100 -0.071 0.000 0.798 197 G HN 0.567 nan 8.290 nan 0.000 0.504 198 P HA 0.568 nan 4.420 nan 0.000 0.276 198 P C -0.625 176.671 177.300 -0.007 0.000 1.244 198 P CA -0.612 62.487 63.100 -0.002 0.000 0.801 198 P CB 1.847 33.554 31.700 0.012 0.000 1.006 199 V N 1.882 121.787 119.914 -0.016 0.000 2.588 199 V HA 0.678 4.798 4.120 -0.000 0.000 0.304 199 V C -0.914 175.186 176.094 0.009 0.000 1.042 199 V CA -0.757 61.538 62.300 -0.008 0.000 0.877 199 V CB 1.832 33.633 31.823 -0.037 0.000 0.996 199 V HN 0.543 nan 8.190 nan 0.000 0.425 200 R N 4.876 125.393 120.500 0.029 0.000 2.854 200 R HA 0.676 5.016 4.340 -0.000 0.000 0.271 200 R C -1.218 175.107 176.300 0.040 0.000 0.994 200 R CA -1.059 55.058 56.100 0.029 0.000 0.945 200 R CB 1.959 32.278 30.300 0.030 0.000 1.194 200 R HN 0.692 nan 8.270 nan 0.000 0.476 201 M N 1.311 120.929 119.600 0.029 0.000 2.367 201 M HA 0.360 4.840 4.480 -0.000 0.000 0.339 201 M C -1.003 175.313 176.300 0.027 0.000 1.177 201 M CA -0.945 54.374 55.300 0.032 0.000 1.068 201 M CB 1.177 33.786 32.600 0.015 0.000 1.602 201 M HN 0.433 nan 8.290 nan 0.000 0.457 202 L N 6.676 127.915 121.223 0.026 0.000 2.345 202 L HA 0.681 5.020 4.340 -0.000 0.000 0.274 202 L C -2.573 174.302 176.870 0.008 0.000 0.999 202 L CA -1.567 53.279 54.840 0.009 0.000 0.849 202 L CB 1.326 43.381 42.059 -0.008 0.000 1.220 202 L HN 0.443 nan 8.230 nan 0.000 0.422 203 P HA 0.476 nan 4.420 nan 0.000 0.282 203 P C -1.157 176.153 177.300 0.017 0.000 1.259 203 P CA -0.577 62.529 63.100 0.010 0.000 0.826 203 P CB 1.123 32.832 31.700 0.014 0.000 1.064 204 A N 1.713 124.546 122.820 0.021 0.000 2.264 204 A HA 0.325 4.645 4.320 -0.000 0.000 0.304 204 A C 1.399 179.000 177.584 0.027 0.000 1.100 204 A CA -0.499 51.550 52.037 0.021 0.000 0.839 204 A CB 0.241 19.254 19.000 0.022 0.000 1.121 204 A HN 0.462 nan 8.150 nan 0.000 0.496 205 R N -0.597 119.916 120.500 0.023 0.000 2.120 205 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 205 R C 0.685 177.008 176.300 0.039 0.000 1.123 205 R CA 1.299 57.416 56.100 0.027 0.000 0.975 205 R CB -0.005 30.306 30.300 0.018 0.000 0.866 205 R HN 0.648 nan 8.270 nan 0.000 0.446 206 R N -1.268 119.253 120.500 0.036 0.000 2.837 206 R HA 0.102 4.442 4.340 -0.000 0.000 0.271 206 R C 0.912 177.235 176.300 0.038 0.000 0.993 206 R CA -0.063 56.061 56.100 0.040 0.000 0.931 206 R CB 1.694 32.014 30.300 0.032 0.000 1.206 206 R HN 0.010 nan 8.270 nan 0.000 0.474 207 S N 0.170 115.894 115.700 0.039 0.000 2.419 207 S HA -0.177 4.293 4.470 -0.000 0.000 0.233 207 S C 1.124 175.740 174.600 0.027 0.000 1.016 207 S CA 1.959 60.180 58.200 0.035 0.000 0.974 207 S CB -0.209 63.010 63.200 0.031 0.000 0.786 207 S HN 0.787 nan 8.310 nan 0.000 0.492 208 D N 1.837 122.248 120.400 0.018 0.000 2.323 208 D HA -0.017 4.623 4.640 -0.000 0.000 0.209 208 D C 1.230 177.540 176.300 0.018 0.000 0.973 208 D CA 0.658 54.666 54.000 0.013 0.000 0.874 208 D CB -0.572 40.232 40.800 0.007 0.000 0.930 208 D HN 0.739 nan 8.370 nan 0.000 0.521 209 I N -2.173 118.410 120.570 0.021 0.000 3.736 209 I HA 0.338 4.508 4.170 -0.000 0.000 0.338 209 I C -0.334 175.797 176.117 0.022 0.000 1.558 209 I CA -0.839 60.472 61.300 0.020 0.000 1.147 209 I CB -0.022 37.988 38.000 0.018 0.000 1.275 209 I HN -0.287 nan 8.210 nan 0.000 0.454 210 E N 3.861 124.077 120.200 0.026 0.000 2.398 210 E HA 0.233 4.583 4.350 -0.000 0.000 0.263 210 E C -1.985 174.630 176.600 0.026 0.000 1.046 210 E CA -1.349 55.066 56.400 0.027 0.000 0.908 210 E CB 0.236 29.956 29.700 0.033 0.000 0.963 210 E HN 0.238 nan 8.360 nan 0.000 0.431 211 P HA 0.189 nan 4.420 nan 0.000 0.274 211 P C -0.958 176.358 177.300 0.027 0.000 1.246 211 P CA -0.392 62.724 63.100 0.026 0.000 0.795 211 P CB 0.661 32.377 31.700 0.027 0.000 1.006 212 A N 0.825 123.663 122.820 0.029 0.000 2.282 212 A HA 0.646 4.966 4.320 -0.000 0.000 0.319 212 A C -0.619 176.984 177.584 0.031 0.000 1.121 212 A CA -0.561 51.494 52.037 0.029 0.000 0.836 212 A CB 0.771 19.788 19.000 0.029 0.000 1.146 212 A HN 0.326 nan 8.150 nan 0.000 0.494 213 V N 0.033 119.964 119.914 0.029 0.000 2.735 213 V HA 0.855 4.975 4.120 -0.000 0.000 0.310 213 V C 0.510 176.625 176.094 0.035 0.000 1.061 213 V CA 0.198 62.516 62.300 0.031 0.000 0.913 213 V CB 1.673 33.504 31.823 0.013 0.000 1.005 213 V HN 1.497 nan 8.190 nan 0.000 0.428 214 G N 2.603 111.430 108.800 0.045 0.000 2.645 214 G HA2 0.604 4.564 3.960 -0.000 0.000 0.292 214 G HA3 0.604 4.564 3.960 -0.000 0.000 0.292 214 G C -2.617 172.312 174.900 0.048 0.000 1.415 214 G CA -0.693 44.431 45.100 0.040 0.000 0.785 214 G HN 0.406 nan 8.290 nan 0.000 0.483 215 P HA -0.071 nan 4.420 nan 0.000 0.228 215 P C 0.613 177.933 177.300 0.034 0.000 1.151 215 P CA 0.971 64.093 63.100 0.037 0.000 0.770 215 P CB 0.123 31.838 31.700 0.026 0.000 0.786 216 N N -1.530 117.190 118.700 0.033 0.000 2.236 216 N HA 0.039 4.779 4.740 -0.000 0.000 0.196 216 N C 0.036 175.569 175.510 0.038 0.000 1.114 216 N CA -0.005 53.059 53.050 0.023 0.000 0.859 216 N CB 0.007 38.503 38.487 0.015 0.000 0.982 216 N HN -0.027 nan 8.380 nan 0.000 0.493 217 T N 1.753 116.347 114.554 0.068 0.000 2.884 217 T HA 0.211 4.561 4.350 -0.000 0.000 0.298 217 T C 0.198 174.978 174.700 0.133 0.000 0.998 217 T CA -0.058 62.105 62.100 0.105 0.000 1.124 217 T CB 0.707 69.646 68.868 0.118 0.000 0.931 217 T HN 0.016 nan 8.240 nan 0.000 0.531 218 R N 2.562 123.145 120.500 0.138 0.000 2.445 218 R HA 0.513 4.853 4.340 -0.000 0.000 0.308 218 R C -0.780 175.643 176.300 0.204 0.000 0.961 218 R CA -0.632 55.530 56.100 0.104 0.000 0.862 218 R CB 1.233 31.561 30.300 0.046 0.000 1.144 218 R HN 0.672 nan 8.270 nan 0.000 0.447 219 F N 0.445 120.406 119.950 0.020 0.000 2.561 219 F HA 0.748 5.275 4.527 -0.000 0.000 0.321 219 F C -0.581 175.212 175.800 -0.011 0.000 1.065 219 F CA -1.467 56.545 58.000 0.020 0.000 0.934 219 F CB 1.254 40.272 39.000 0.030 0.000 1.215 219 F HN 0.418 nan 8.300 nan 0.000 0.471 220 I N 3.230 123.872 120.570 0.119 0.000 2.689 220 I HA 0.509 4.679 4.170 -0.000 0.000 0.299 220 I C -1.491 174.800 176.117 0.289 0.000 1.059 220 I CA -1.105 60.197 61.300 0.004 0.000 1.055 220 I CB 1.969 39.783 38.000 -0.310 0.000 1.243 220 I HN 0.696 nan 8.210 nan 0.000 0.425 221 L N 7.079 128.495 121.223 0.321 0.000 2.292 221 L HA 0.475 4.815 4.340 -0.000 0.000 0.284 221 L C 0.991 178.251 176.870 0.650 0.000 1.065 221 L CA -0.290 54.819 54.840 0.449 0.000 0.806 221 L CB 1.541 43.885 42.059 0.476 0.000 1.175 221 L HN 0.800 nan 8.230 nan 0.000 0.431 222 A N 2.699 125.738 122.820 0.364 0.000 2.147 222 A HA 0.143 4.463 4.320 -0.000 0.000 0.211 222 A C 0.639 178.184 177.584 -0.065 0.000 1.160 222 A CA 0.482 52.575 52.037 0.093 0.000 0.781 222 A CB 0.238 19.173 19.000 -0.109 0.000 0.842 222 A HN 0.695 nan 8.150 nan 0.000 0.475 223 Q N -0.973 118.684 119.800 -0.237 0.000 2.331 223 Q HA 0.275 4.615 4.340 -0.000 0.000 0.272 223 Q C -2.416 172.914 176.000 -1.118 0.000 1.062 223 Q CA -1.921 53.386 55.803 -0.827 0.000 0.806 223 Q CB 2.397 30.389 28.738 -1.243 0.000 1.312 223 Q HN 0.096 nan 8.270 nan 0.000 0.431 224 P HA -0.079 nan 4.420 nan 0.000 0.223 224 P C 0.618 177.730 177.300 -0.312 0.000 1.151 224 P CA 1.024 63.552 63.100 -0.954 0.000 0.787 224 P CB -0.057 31.247 31.700 -0.660 0.000 0.788 225 F N -2.065 117.819 119.950 -0.109 0.000 2.676 225 F HA 0.350 4.877 4.527 -0.000 0.000 0.300 225 F C 0.952 176.783 175.800 0.052 0.000 1.160 225 F CA -0.418 57.594 58.000 0.021 0.000 1.401 225 F CB -1.069 37.934 39.000 0.005 0.000 1.037 225 F HN -0.299 nan 8.300 nan 0.000 0.522 226 L N 1.017 122.266 121.223 0.044 0.000 3.034 226 L HA 0.394 4.734 4.340 -0.000 0.000 0.245 226 L C 2.002 178.933 176.870 0.102 0.000 1.295 226 L CA -0.246 54.636 54.840 0.070 0.000 1.068 226 L CB 0.012 42.062 42.059 -0.016 0.000 1.426 226 L HN 0.458 nan 8.230 nan 0.000 0.531 227 G N 0.038 108.944 108.800 0.178 0.000 2.459 227 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 227 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 227 G C 1.347 176.362 174.900 0.192 0.000 1.183 227 G CA 0.501 45.752 45.100 0.252 0.000 0.776 227 G HN 0.380 nan 8.290 nan 0.000 0.552 228 E N 0.251 120.531 120.200 0.134 0.000 2.058 228 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 228 E C 2.814 179.445 176.600 0.051 0.000 0.997 228 E CA 1.727 58.178 56.400 0.084 0.000 0.801 228 E CB -0.698 29.032 29.700 0.049 0.000 0.746 228 E HN 0.406 nan 8.360 nan 0.000 0.450 229 T N 1.057 115.627 114.554 0.026 0.000 2.746 229 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 229 T C 2.056 176.703 174.700 -0.090 0.000 1.039 229 T CA 1.741 63.818 62.100 -0.038 0.000 1.142 229 T CB -0.538 68.300 68.868 -0.050 0.000 0.866 229 T HN 0.155 nan 8.240 nan 0.000 0.444 230 T N 1.461 116.012 114.554 -0.005 0.000 2.635 230 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 230 T C 2.296 177.047 174.700 0.084 0.000 1.040 230 T CA 1.612 63.760 62.100 0.080 0.000 1.156 230 T CB -1.080 67.910 68.868 0.203 0.000 0.863 230 T HN 0.553 nan 8.240 nan 0.000 0.430 231 G N 1.026 109.891 108.800 0.107 0.000 2.476 231 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 231 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 231 G C 1.827 176.760 174.900 0.055 0.000 1.164 231 G CA 1.089 46.253 45.100 0.106 0.000 0.768 231 G HN 0.620 nan 8.290 nan 0.000 0.560 232 A N 0.113 122.943 122.820 0.016 0.000 1.969 232 A HA 0.198 4.518 4.320 -0.000 0.000 0.218 232 A C 2.441 180.000 177.584 -0.040 0.000 1.169 232 A CA 1.107 53.142 52.037 -0.002 0.000 0.635 232 A CB -0.295 18.702 19.000 -0.005 0.000 0.810 232 A HN 0.367 nan 8.150 nan 0.000 0.445 233 L N -1.025 120.120 121.223 -0.131 0.000 2.056 233 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 233 L C 2.602 179.443 176.870 -0.049 0.000 1.078 233 L CA 1.525 56.222 54.840 -0.238 0.000 0.749 233 L CB -0.425 41.166 42.059 -0.779 0.000 0.901 233 L HN 0.449 nan 8.230 nan 0.000 0.433 234 E N -0.252 119.987 120.200 0.065 0.000 2.072 234 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 234 E C 2.241 178.896 176.600 0.092 0.000 0.985 234 E CA 0.788 57.283 56.400 0.159 0.000 0.801 234 E CB -0.028 29.790 29.700 0.197 0.000 0.750 234 E HN 0.232 nan 8.360 nan 0.000 0.452 235 R N 0.522 121.061 120.500 0.065 0.000 2.211 235 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 235 R C 1.618 177.943 176.300 0.042 0.000 1.144 235 R CA 1.060 57.191 56.100 0.051 0.000 0.992 235 R CB 0.149 30.475 30.300 0.044 0.000 0.869 235 R HN 0.000 nan 8.270 nan 0.000 0.462 236 R N -1.605 118.917 120.500 0.037 0.000 2.300 236 R HA 0.128 4.468 4.340 -0.000 0.000 0.199 236 R C 1.079 177.406 176.300 0.045 0.000 0.920 236 R CA 0.862 56.982 56.100 0.033 0.000 1.046 236 R CB 1.058 31.369 30.300 0.019 0.000 0.984 236 R HN 0.471 nan 8.270 nan 0.000 0.493 237 G N 0.136 108.974 108.800 0.063 0.000 2.192 237 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.193 237 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.193 237 G C 0.293 175.254 174.900 0.100 0.000 0.999 237 G CA -0.061 45.080 45.100 0.069 0.000 0.659 237 G HN 0.522 nan 8.290 nan 0.000 0.503 238 A N -0.215 122.695 122.820 0.150 0.000 2.366 238 A HA 0.743 5.063 4.320 -0.000 0.000 0.249 238 A C 0.226 178.002 177.584 0.319 0.000 1.084 238 A CA 0.568 52.758 52.037 0.254 0.000 0.794 238 A CB 0.520 19.713 19.000 0.323 0.000 1.034 238 A HN 0.351 nan 8.150 nan 0.000 0.491 239 K N 0.472 120.982 120.400 0.183 0.000 2.376 239 K HA 0.373 4.693 4.320 -0.000 0.000 0.257 239 K C -0.230 176.047 176.600 -0.538 0.000 0.939 239 K CA -0.304 55.936 56.287 -0.079 0.000 0.809 239 K CB 1.647 34.097 32.500 -0.084 0.000 1.121 239 K HN 0.690 nan 8.250 nan 0.000 0.425 240 R N 3.558 123.554 120.500 -0.840 0.000 2.438 240 R HA 0.238 4.578 4.340 -0.000 0.000 0.287 240 R C -0.282 175.681 176.300 -0.562 0.000 1.077 240 R CA -0.506 54.891 56.100 -1.172 0.000 1.034 240 R CB 0.466 30.267 30.300 -0.833 0.000 0.993 240 R HN 0.505 nan 8.270 nan 0.000 0.459 241 I N 3.989 124.267 120.570 -0.485 0.000 2.379 241 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 241 I C 0.750 176.673 176.117 -0.324 0.000 1.063 241 I CA -0.223 60.875 61.300 -0.338 0.000 1.351 241 I CB 0.308 38.112 38.000 -0.327 0.000 1.410 241 I HN 0.632 nan 8.210 nan 0.000 0.505 242 A N 5.860 128.525 122.820 -0.258 0.000 2.388 242 A HA 0.759 5.079 4.320 -0.000 0.000 0.257 242 A C 0.224 177.647 177.584 -0.269 0.000 1.095 242 A CA -0.070 51.829 52.037 -0.231 0.000 0.791 242 A CB 0.509 19.412 19.000 -0.162 0.000 1.029 242 A HN 1.016 nan 8.150 nan 0.000 0.489 243 A N 3.101 125.734 122.820 -0.311 0.000 2.599 243 A HA 0.768 5.088 4.320 -0.000 0.000 0.294 243 A C -3.168 174.198 177.584 -0.363 0.000 1.055 243 A CA -1.122 50.730 52.037 -0.308 0.000 0.683 243 A CB 0.917 19.662 19.000 -0.425 0.000 1.278 243 A HN 0.632 nan 8.150 nan 0.000 0.412 244 P HA 0.504 nan 4.420 nan 0.000 0.274 244 P C -0.723 176.435 177.300 -0.237 0.000 1.256 244 P CA -0.072 62.897 63.100 -0.218 0.000 0.795 244 P CB 0.260 31.937 31.700 -0.038 0.000 1.038 245 F N 0.514 120.548 119.950 0.140 0.000 2.399 245 F HA 0.246 4.773 4.527 -0.000 0.000 0.342 245 F C -1.228 174.456 175.800 -0.195 0.000 1.106 245 F CA -2.090 55.939 58.000 0.048 0.000 1.196 245 F CB 0.146 39.241 39.000 0.159 0.000 1.163 245 F HN 0.175 nan 8.300 nan 0.000 0.547 246 P HA 0.066 nan 4.420 nan 0.000 0.235 246 P C -1.029 175.654 177.300 -1.029 0.000 1.765 246 P CA 0.405 62.958 63.100 -0.912 0.000 1.034 246 P CB -0.694 29.907 31.700 -1.832 0.000 1.984 247 F N 1.132 120.830 119.950 -0.420 0.000 2.469 247 F HA 0.637 5.164 4.527 -0.000 0.000 0.332 247 F C 1.396 176.968 175.800 -0.379 0.000 1.103 247 F CA 0.053 57.749 58.000 -0.507 0.000 0.979 247 F CB 1.774 40.481 39.000 -0.489 0.000 1.137 247 F HN 0.364 nan 8.300 nan 0.000 0.463 248 G N 2.257 110.851 108.800 -0.343 0.000 2.855 248 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.352 248 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.352 248 G C 0.633 175.612 174.900 0.132 0.000 1.415 248 G CA 0.024 45.139 45.100 0.024 0.000 0.871 248 G HN 0.726 nan 8.290 nan 0.000 0.543 249 E N 0.040 120.403 120.200 0.271 0.000 2.047 249 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 249 E C 2.145 178.906 176.600 0.268 0.000 0.987 249 E CA 1.986 58.584 56.400 0.331 0.000 0.799 249 E CB -0.220 29.632 29.700 0.253 0.000 0.752 249 E HN 0.710 nan 8.360 nan 0.000 0.449 250 E N -0.448 119.868 120.200 0.194 0.000 2.058 250 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 250 E C 2.013 178.682 176.600 0.115 0.000 0.997 250 E CA 1.465 57.947 56.400 0.137 0.000 0.801 250 E CB -0.436 29.317 29.700 0.089 0.000 0.746 250 E HN 0.351 nan 8.360 nan 0.000 0.450 251 G N -0.451 108.405 108.800 0.092 0.000 2.404 251 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.215 251 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.215 251 G C 1.632 176.517 174.900 -0.026 0.000 1.174 251 G CA 1.297 46.419 45.100 0.037 0.000 0.780 251 G HN 0.283 nan 8.290 nan 0.000 0.537 252 T N 1.054 115.518 114.554 -0.151 0.000 2.708 252 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 252 T C 2.625 177.353 174.700 0.045 0.000 1.037 252 T CA 1.818 63.744 62.100 -0.290 0.000 1.146 252 T CB -0.650 67.761 68.868 -0.763 0.000 0.865 252 T HN 0.276 nan 8.240 nan 0.000 0.435 253 T N 2.446 117.122 114.554 0.204 0.000 2.635 253 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 253 T C 1.853 176.752 174.700 0.332 0.000 1.040 253 T CA 0.953 63.282 62.100 0.381 0.000 1.156 253 T CB -0.472 68.613 68.868 0.362 0.000 0.863 253 T HN 0.054 nan 8.240 nan 0.000 0.430 254 L N -0.629 120.713 121.223 0.198 0.000 2.131 254 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 254 L C 1.972 178.904 176.870 0.104 0.000 1.092 254 L CA 1.134 56.041 54.840 0.112 0.000 0.759 254 L CB -1.081 41.010 42.059 0.054 0.000 0.903 254 L HN 0.431 nan 8.230 nan 0.000 0.435 255 W N -0.076 121.195 121.300 -0.048 0.000 2.378 255 W HA -0.177 4.483 4.660 -0.000 0.000 0.313 255 W C 2.383 178.911 176.519 0.016 0.000 1.197 255 W CA 1.455 58.749 57.345 -0.084 0.000 1.304 255 W CB -0.162 29.196 29.460 -0.170 0.000 1.148 255 W HN 0.017 nan 8.180 nan 0.000 0.494 256 L N 0.625 122.093 121.223 0.407 0.000 2.083 256 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 256 L C 2.435 179.477 176.870 0.287 0.000 1.083 256 L CA 1.739 56.814 54.840 0.391 0.000 0.752 256 L CB -1.044 41.318 42.059 0.505 0.000 0.899 256 L HN -0.054 nan 8.230 nan 0.000 0.433 257 K N 0.831 121.357 120.400 0.210 0.000 2.009 257 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 257 K C 2.089 178.570 176.600 -0.199 0.000 1.049 257 K CA 1.699 57.855 56.287 -0.219 0.000 0.929 257 K CB -0.451 31.901 32.500 -0.247 0.000 0.714 257 K HN 0.192 nan 8.250 nan 0.000 0.440 258 A N 0.258 122.976 122.820 -0.170 0.000 1.927 258 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 258 A C 2.316 179.784 177.584 -0.194 0.000 1.185 258 A CA 2.276 54.187 52.037 -0.211 0.000 0.639 258 A CB -0.987 17.843 19.000 -0.283 0.000 0.820 258 A HN 0.178 nan 8.150 nan 0.000 0.451 259 V N -0.388 119.401 119.914 -0.209 0.000 2.270 259 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 259 V C 3.042 179.162 176.094 0.043 0.000 1.043 259 V CA 1.868 64.096 62.300 -0.120 0.000 1.014 259 V CB -1.561 30.133 31.823 -0.216 0.000 0.645 259 V HN 0.637 nan 8.190 nan 0.000 0.447 260 A N 0.295 123.125 122.820 0.016 0.000 1.873 260 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 260 A C 2.003 179.597 177.584 0.017 0.000 1.193 260 A CA 2.397 54.465 52.037 0.051 0.000 0.629 260 A CB -0.917 18.111 19.000 0.047 0.000 0.826 260 A HN 0.544 nan 8.150 nan 0.000 0.447 261 D N -0.113 120.238 120.400 -0.082 0.000 2.126 261 D HA -0.158 4.482 4.640 -0.000 0.000 0.190 261 D C 2.190 178.452 176.300 -0.063 0.000 1.001 261 D CA 1.940 55.884 54.000 -0.094 0.000 0.841 261 D CB -0.593 40.126 40.800 -0.134 0.000 0.949 261 D HN 0.453 nan 8.370 nan 0.000 0.446 262 A N -0.686 122.101 122.820 -0.055 0.000 2.070 262 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 262 A C 1.518 178.974 177.584 -0.213 0.000 1.159 262 A CA 1.072 53.036 52.037 -0.121 0.000 0.656 262 A CB -0.673 18.253 19.000 -0.123 0.000 0.800 262 A HN 0.351 nan 8.150 nan 0.000 0.453 263 Y N -0.994 119.262 120.300 -0.074 0.000 2.467 263 Y HA 0.365 4.915 4.550 -0.000 0.000 0.250 263 Y C 1.547 177.426 175.900 -0.036 0.000 1.155 263 Y CA 0.088 58.159 58.100 -0.047 0.000 1.249 263 Y CB 0.262 38.701 38.460 -0.035 0.000 1.146 263 Y HN 0.383 nan 8.280 nan 0.000 0.524 264 G N 1.611 110.438 108.800 0.045 0.000 2.359 264 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.298 264 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.298 264 G C -0.501 174.424 174.900 0.041 0.000 1.030 264 G CA 0.338 45.446 45.100 0.014 0.000 1.149 264 G HN 0.199 nan 8.290 nan 0.000 0.512 265 V N 1.438 121.384 119.914 0.053 0.000 2.394 265 V HA 0.685 4.805 4.120 -0.000 0.000 0.282 265 V C 1.164 177.289 176.094 0.051 0.000 1.031 265 V CA 0.029 62.370 62.300 0.067 0.000 0.881 265 V CB 1.569 33.454 31.823 0.104 0.000 0.982 265 V HN 1.309 nan 8.190 nan 0.000 0.451 266 S N 5.604 121.335 115.700 0.052 0.000 2.558 266 S HA 0.194 4.664 4.470 -0.000 0.000 0.288 266 S C 1.449 176.094 174.600 0.076 0.000 1.318 266 S CA 0.174 58.400 58.200 0.044 0.000 1.056 266 S CB 1.279 64.503 63.200 0.040 0.000 0.853 266 S HN 1.405 nan 8.310 nan 0.000 0.505 267 A N 2.113 124.963 122.820 0.051 0.000 2.032 267 A HA -0.129 4.191 4.320 -0.000 0.000 0.221 267 A C 2.045 179.708 177.584 0.132 0.000 1.165 267 A CA 1.882 53.972 52.037 0.090 0.000 0.645 267 A CB -0.984 18.039 19.000 0.039 0.000 0.807 267 A HN 0.928 nan 8.150 nan 0.000 0.453 268 E N -0.306 119.945 120.200 0.084 0.000 2.012 268 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 268 E C 2.072 178.720 176.600 0.081 0.000 1.007 268 E CA 1.838 58.279 56.400 0.069 0.000 0.816 268 E CB -0.182 29.544 29.700 0.043 0.000 0.762 268 E HN 0.658 nan 8.360 nan 0.000 0.451 269 K N -0.566 119.887 120.400 0.088 0.000 2.097 269 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 269 K C 2.027 178.695 176.600 0.112 0.000 1.049 269 K CA 1.270 57.606 56.287 0.082 0.000 0.933 269 K CB -0.285 32.261 32.500 0.077 0.000 0.717 269 K HN 0.108 nan 8.250 nan 0.000 0.442 270 F N 2.014 121.974 119.950 0.018 0.000 2.051 270 F HA -0.202 4.325 4.527 -0.000 0.000 0.296 270 F C 2.124 177.940 175.800 0.027 0.000 1.122 270 F CA 1.628 59.644 58.000 0.028 0.000 1.201 270 F CB -0.032 38.986 39.000 0.029 0.000 0.978 270 F HN 0.061 nan 8.300 nan 0.000 0.472 271 E N 0.680 120.968 120.200 0.147 0.000 2.160 271 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 271 E C 2.291 178.858 176.600 -0.056 0.000 0.991 271 E CA 1.025 57.438 56.400 0.023 0.000 0.810 271 E CB -0.714 29.043 29.700 0.095 0.000 0.742 271 E HN 0.546 nan 8.360 nan 0.000 0.466 272 A N 1.082 123.884 122.820 -0.029 0.000 1.835 272 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 272 A C 2.612 180.149 177.584 -0.078 0.000 1.199 272 A CA 1.547 53.561 52.037 -0.039 0.000 0.615 272 A CB -0.852 18.140 19.000 -0.012 0.000 0.838 272 A HN 0.138 nan 8.150 nan 0.000 0.444 273 V N -0.767 119.089 119.914 -0.096 0.000 2.490 273 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 273 V C 2.615 178.614 176.094 -0.159 0.000 1.061 273 V CA 2.433 64.668 62.300 -0.109 0.000 1.064 273 V CB -0.653 31.114 31.823 -0.094 0.000 0.670 273 V HN 0.671 nan 8.190 nan 0.000 0.461 274 T N -1.396 113.004 114.554 -0.257 0.000 3.037 274 T HA 0.209 4.559 4.350 -0.000 0.000 0.252 274 T C 1.848 176.373 174.700 -0.291 0.000 1.073 274 T CA 0.895 62.805 62.100 -0.318 0.000 1.091 274 T CB 0.085 68.593 68.868 -0.600 0.000 0.935 274 T HN 0.484 nan 8.240 nan 0.000 0.488 275 A N 1.337 124.034 122.820 -0.205 0.000 1.873 275 A HA 0.260 4.580 4.320 -0.000 0.000 0.215 275 A C 2.600 180.083 177.584 -0.168 0.000 1.186 275 A CA 1.845 53.787 52.037 -0.159 0.000 0.616 275 A CB -1.212 17.731 19.000 -0.094 0.000 0.823 275 A HN 0.545 nan 8.150 nan 0.000 0.442 276 A N 0.454 123.186 122.820 -0.146 0.000 1.849 276 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 276 A C 0.242 177.718 177.584 -0.180 0.000 1.202 276 A CA 2.075 54.035 52.037 -0.128 0.000 0.629 276 A CB -1.875 17.070 19.000 -0.093 0.000 0.834 276 A HN 0.450 nan 8.150 nan 0.000 0.447 277 P HA -0.090 nan 4.420 nan 0.000 0.222 277 P C 1.515 178.478 177.300 -0.560 0.000 1.147 277 P CA 0.933 63.836 63.100 -0.328 0.000 0.790 277 P CB -0.080 31.431 31.700 -0.313 0.000 0.780 278 R N -0.444 119.677 120.500 -0.631 0.000 2.073 278 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 278 R C 2.213 178.383 176.300 -0.216 0.000 1.120 278 R CA 1.445 57.229 56.100 -0.525 0.000 0.967 278 R CB -0.983 29.096 30.300 -0.368 0.000 0.862 278 R HN 0.142 nan 8.270 nan 0.000 0.436 279 A N 1.166 123.890 122.820 -0.159 0.000 1.902 279 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 279 A C 2.166 179.715 177.584 -0.059 0.000 1.181 279 A CA 1.334 53.322 52.037 -0.082 0.000 0.623 279 A CB -0.441 18.517 19.000 -0.069 0.000 0.818 279 A HN 0.199 nan 8.150 nan 0.000 0.443 280 R N -0.424 120.030 120.500 -0.076 0.000 2.080 280 R HA -0.144 4.195 4.340 -0.000 0.000 0.236 280 R C 2.370 178.668 176.300 -0.004 0.000 1.137 280 R CA 1.646 57.722 56.100 -0.039 0.000 0.943 280 R CB -0.469 29.802 30.300 -0.047 0.000 0.846 280 R HN 0.456 nan 8.270 nan 0.000 0.431 281 A N 1.608 124.421 122.820 -0.011 0.000 1.883 281 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 281 A C 1.998 179.639 177.584 0.093 0.000 1.186 281 A CA 2.165 54.249 52.037 0.079 0.000 0.624 281 A CB -0.544 18.545 19.000 0.149 0.000 0.822 281 A HN 0.568 nan 8.150 nan 0.000 0.444 282 K N -0.585 119.849 120.400 0.056 0.000 2.365 282 K HA 0.059 4.379 4.320 -0.000 0.000 0.197 282 K C 1.874 178.503 176.600 0.049 0.000 1.042 282 K CA 1.178 57.506 56.287 0.068 0.000 0.987 282 K CB -0.062 32.470 32.500 0.053 0.000 0.779 282 K HN 0.360 nan 8.250 nan 0.000 0.484 283 K N 0.975 121.392 120.400 0.029 0.000 2.025 283 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 283 K C 2.161 178.777 176.600 0.026 0.000 1.049 283 K CA 1.255 57.553 56.287 0.018 0.000 0.933 283 K CB -0.279 32.224 32.500 0.004 0.000 0.714 283 K HN 0.268 nan 8.250 nan 0.000 0.438 284 A N 1.312 124.162 122.820 0.049 0.000 1.978 284 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 284 A C 1.998 179.650 177.584 0.114 0.000 1.170 284 A CA 1.422 53.501 52.037 0.070 0.000 0.636 284 A CB -0.543 18.518 19.000 0.101 0.000 0.810 284 A HN 0.359 nan 8.150 nan 0.000 0.448 285 I N -0.620 120.043 120.570 0.155 0.000 2.761 285 I HA -0.159 4.011 4.170 -0.000 0.000 0.261 285 I C 2.799 178.989 176.117 0.123 0.000 1.198 285 I CA 0.663 62.098 61.300 0.225 0.000 1.482 285 I CB -0.257 37.882 38.000 0.232 0.000 1.100 285 I HN 0.347 nan 8.210 nan 0.000 0.445 286 A N 1.144 123.990 122.820 0.043 0.000 1.898 286 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 286 A C 2.622 180.180 177.584 -0.045 0.000 1.181 286 A CA 1.613 53.653 52.037 0.005 0.000 0.620 286 A CB -0.745 18.254 19.000 -0.002 0.000 0.819 286 A HN 0.394 nan 8.150 nan 0.000 0.442 287 A N -0.665 122.077 122.820 -0.131 0.000 1.971 287 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 287 A C 1.974 179.389 177.584 -0.282 0.000 1.182 287 A CA 2.056 53.936 52.037 -0.262 0.000 0.649 287 A CB -0.933 17.809 19.000 -0.429 0.000 0.818 287 A HN 0.725 nan 8.150 nan 0.000 0.458 288 H N -2.061 117.038 119.070 0.048 0.000 2.547 288 H HA 0.161 4.717 4.556 -0.000 0.000 0.272 288 H C 1.967 177.313 175.328 0.031 0.000 0.971 288 H CA 0.729 56.808 56.048 0.052 0.000 1.245 288 H CB -0.251 29.561 29.762 0.083 0.000 1.440 288 H HN 0.423 nan 8.280 nan 0.000 0.540 289 L N 1.497 122.780 121.223 0.101 0.000 2.129 289 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 289 L C 2.641 179.532 176.870 0.034 0.000 1.087 289 L CA 1.415 56.282 54.840 0.045 0.000 0.757 289 L CB -0.052 42.018 42.059 0.019 0.000 0.896 289 L HN 0.109 nan 8.230 nan 0.000 0.434 290 E N -0.184 120.036 120.200 0.033 0.000 2.013 290 E HA -0.261 4.089 4.350 -0.000 0.000 0.202 290 E C 2.123 178.746 176.600 0.039 0.000 1.018 290 E CA 2.601 59.018 56.400 0.028 0.000 0.834 290 E CB -0.620 29.093 29.700 0.020 0.000 0.770 290 E HN 0.573 nan 8.360 nan 0.000 0.459 291 T N -1.643 112.947 114.554 0.060 0.000 3.055 291 T HA -0.001 4.349 4.350 -0.000 0.000 0.265 291 T C 1.741 176.477 174.700 0.060 0.000 1.111 291 T CA 0.579 62.717 62.100 0.063 0.000 1.118 291 T CB -0.038 68.878 68.868 0.081 0.000 0.909 291 T HN 0.028 nan 8.240 nan 0.000 0.501 292 L N 1.730 122.989 121.223 0.060 0.000 2.127 292 L HA 0.262 4.602 4.340 -0.000 0.000 0.203 292 L C 1.274 178.146 176.870 0.004 0.000 1.080 292 L CA 1.031 55.892 54.840 0.035 0.000 0.768 292 L CB -1.274 40.803 42.059 0.030 0.000 0.924 292 L HN 0.231 nan 8.230 nan 0.000 0.444 293 T N 0.234 114.788 114.554 0.000 0.000 2.908 293 T HA 0.344 4.693 4.350 -0.000 0.000 0.301 293 T C 1.182 175.878 174.700 -0.006 0.000 1.019 293 T CA 0.826 62.919 62.100 -0.011 0.000 1.152 293 T CB 0.275 69.139 68.868 -0.007 0.000 0.966 293 T HN 0.604 nan 8.240 nan 0.000 0.540 294 G N 2.459 111.251 108.800 -0.014 0.000 2.199 294 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 294 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 294 G C 0.143 175.038 174.900 -0.007 0.000 0.982 294 G CA -0.291 44.802 45.100 -0.011 0.000 0.632 294 G HN 0.603 nan 8.290 nan 0.000 0.529 295 K N 1.723 122.121 120.400 -0.004 0.000 2.249 295 K HA 0.483 4.803 4.320 -0.000 0.000 0.280 295 K C 0.792 177.391 176.600 -0.002 0.000 1.033 295 K CA 0.333 56.624 56.287 0.007 0.000 0.946 295 K CB 1.469 33.983 32.500 0.022 0.000 1.005 295 K HN 0.621 nan 8.250 nan 0.000 0.469 296 S N 2.508 118.212 115.700 0.007 0.000 2.548 296 S HA 0.360 4.830 4.470 -0.000 0.000 0.277 296 S C -0.086 174.529 174.600 0.026 0.000 1.315 296 S CA -0.912 57.291 58.200 0.005 0.000 1.050 296 S CB 0.686 63.888 63.200 0.003 0.000 0.918 296 S HN 0.475 nan 8.310 nan 0.000 0.497 297 L N 3.229 124.461 121.223 0.016 0.000 2.346 297 L HA 0.796 5.136 4.340 -0.000 0.000 0.276 297 L C -1.327 175.590 176.870 0.078 0.000 1.006 297 L CA -0.863 54.000 54.840 0.039 0.000 0.817 297 L CB 1.535 43.572 42.059 -0.036 0.000 1.272 297 L HN 0.818 nan 8.230 nan 0.000 0.421 298 F N 5.644 125.583 119.950 -0.019 0.000 2.529 298 F HA 0.718 5.245 4.527 -0.000 0.000 0.320 298 F C -1.004 174.787 175.800 -0.015 0.000 1.118 298 F CA -0.669 57.304 58.000 -0.045 0.000 0.915 298 F CB 1.778 40.759 39.000 -0.030 0.000 1.161 298 F HN 0.396 nan 8.300 nan 0.000 0.445 299 M N 7.150 126.482 119.600 -0.446 0.000 2.093 299 M HA 0.322 4.802 4.480 -0.000 0.000 0.297 299 M C -1.274 174.869 176.300 -0.261 0.000 0.938 299 M CA -0.535 54.678 55.300 -0.144 0.000 0.920 299 M CB 1.572 34.112 32.600 -0.101 0.000 1.517 299 M HN 0.418 nan 8.290 nan 0.000 0.427 300 F N 4.113 124.140 119.950 0.128 0.000 2.444 300 F HA 0.320 4.847 4.527 -0.000 0.000 0.331 300 F C -1.649 174.190 175.800 0.065 0.000 1.167 300 F CA -1.285 56.802 58.000 0.144 0.000 1.262 300 F CB 0.321 39.442 39.000 0.203 0.000 1.196 300 F HN 0.300 nan 8.300 nan 0.000 0.583 301 P HA 0.173 nan 4.420 nan 0.000 0.287 301 P C -0.767 176.646 177.300 0.188 0.000 1.294 301 P CA -0.008 63.202 63.100 0.182 0.000 0.776 301 P CB 1.605 33.399 31.700 0.157 0.000 0.889 302 D N 1.328 121.835 120.400 0.179 0.000 2.412 302 D HA -0.030 4.610 4.640 -0.000 0.000 0.298 302 D C 1.176 177.676 176.300 0.333 0.000 1.136 302 D CA 0.713 54.828 54.000 0.192 0.000 0.988 302 D CB 0.463 41.334 40.800 0.117 0.000 1.712 302 D HN 0.445 nan 8.370 nan 0.000 0.503 303 S N -0.690 115.179 115.700 0.282 0.000 2.679 303 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 303 S C 0.797 175.502 174.600 0.175 0.000 1.068 303 S CA 0.104 58.460 58.200 0.259 0.000 1.115 303 S CB 1.444 64.764 63.200 0.199 0.000 1.078 303 S HN 0.101 nan 8.310 nan 0.000 0.603 304 Q N -0.361 119.543 119.800 0.174 0.000 2.342 304 Q HA -0.152 4.188 4.340 -0.000 0.000 0.196 304 Q C 0.728 176.773 176.000 0.075 0.000 0.629 304 Q CA 1.375 57.273 55.803 0.160 0.000 1.365 304 Q CB -2.066 26.824 28.738 0.253 0.000 1.406 304 Q HN 0.607 nan 8.270 nan 0.000 0.840 305 L N 1.108 122.356 121.223 0.041 0.000 2.509 305 L HA -0.038 4.302 4.340 -0.000 0.000 0.222 305 L C 2.349 179.124 176.870 -0.158 0.000 1.123 305 L CA 0.738 55.520 54.840 -0.097 0.000 0.856 305 L CB -0.332 41.651 42.059 -0.127 0.000 0.985 305 L HN 0.282 nan 8.230 nan 0.000 0.456 306 E N 1.031 121.190 120.200 -0.068 0.000 2.077 306 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 306 E C 2.111 178.651 176.600 -0.101 0.000 0.989 306 E CA 1.362 57.714 56.400 -0.079 0.000 0.800 306 E CB -0.414 29.266 29.700 -0.033 0.000 0.746 306 E HN 0.505 nan 8.360 nan 0.000 0.452 307 I N 2.209 122.740 120.570 -0.065 0.000 2.113 307 I HA -0.192 3.978 4.170 -0.000 0.000 0.238 307 I C -0.358 175.731 176.117 -0.048 0.000 1.070 307 I CA 1.551 62.823 61.300 -0.046 0.000 1.332 307 I CB -1.252 36.746 38.000 -0.004 0.000 1.044 307 I HN 0.116 nan 8.210 nan 0.000 0.402 308 P HA -0.136 nan 4.420 nan 0.000 0.218 308 P C 1.934 179.135 177.300 -0.164 0.000 1.149 308 P CA 1.513 64.603 63.100 -0.016 0.000 0.817 308 P CB -0.064 31.714 31.700 0.131 0.000 0.785 309 L N -0.656 120.366 121.223 -0.335 0.000 2.093 309 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 309 L C 2.714 179.467 176.870 -0.196 0.000 1.085 309 L CA 1.424 56.056 54.840 -0.346 0.000 0.755 309 L CB -1.146 40.684 42.059 -0.382 0.000 0.904 309 L HN -0.050 nan 8.230 nan 0.000 0.435 310 A N -0.020 122.700 122.820 -0.167 0.000 1.902 310 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 310 A C 2.470 179.996 177.584 -0.097 0.000 1.181 310 A CA 1.419 53.370 52.037 -0.144 0.000 0.623 310 A CB -0.550 18.380 19.000 -0.117 0.000 0.818 310 A HN 0.266 nan 8.150 nan 0.000 0.443 311 R N -0.930 119.542 120.500 -0.047 0.000 2.091 311 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 311 R C 1.933 178.234 176.300 0.002 0.000 1.136 311 R CA 2.137 58.234 56.100 -0.004 0.000 0.959 311 R CB -0.779 29.538 30.300 0.029 0.000 0.856 311 R HN 0.553 nan 8.270 nan 0.000 0.437 312 F N 1.212 121.085 119.950 -0.128 0.000 2.146 312 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 312 F C 1.990 177.707 175.800 -0.139 0.000 1.096 312 F CA 1.177 59.108 58.000 -0.114 0.000 1.275 312 F CB -0.357 38.570 39.000 -0.122 0.000 1.008 312 F HN -0.043 nan 8.300 nan 0.000 0.480 313 L N 0.109 121.082 121.223 -0.417 0.000 2.046 313 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 313 L C 2.847 179.499 176.870 -0.362 0.000 1.077 313 L CA 1.187 55.705 54.840 -0.538 0.000 0.747 313 L CB -1.259 40.535 42.059 -0.442 0.000 0.896 313 L HN 0.283 nan 8.230 nan 0.000 0.432 314 A N 0.260 122.953 122.820 -0.212 0.000 1.841 314 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 314 A C 2.388 179.930 177.584 -0.071 0.000 1.195 314 A CA 1.496 53.477 52.037 -0.094 0.000 0.611 314 A CB -0.428 18.572 19.000 -0.001 0.000 0.835 314 A HN 0.288 nan 8.150 nan 0.000 0.443 315 R N -0.641 119.801 120.500 -0.096 0.000 2.075 315 R HA 0.000 4.340 4.340 -0.000 0.000 0.226 315 R C 1.953 178.167 176.300 -0.144 0.000 1.114 315 R CA 1.431 57.468 56.100 -0.105 0.000 0.972 315 R CB -0.147 30.047 30.300 -0.176 0.000 0.869 315 R HN 0.615 nan 8.270 nan 0.000 0.437 316 E N -0.833 119.213 120.200 -0.256 0.000 2.364 316 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 316 E C 0.880 177.300 176.600 -0.300 0.000 0.990 316 E CA 0.453 56.696 56.400 -0.261 0.000 0.886 316 E CB 0.645 30.196 29.700 -0.248 0.000 0.866 316 E HN 0.343 nan 8.360 nan 0.000 0.493 317 C N -0.035 119.031 119.300 -0.390 0.000 3.243 317 C HA 0.414 4.874 4.460 -0.000 0.000 0.286 317 C C 1.376 176.275 174.990 -0.152 0.000 1.373 317 C CA -0.180 58.683 59.018 -0.259 0.000 1.749 317 C CB -0.207 27.338 27.740 -0.324 0.000 2.313 317 C HN 0.522 nan 8.230 nan 0.000 0.644 318 G N 1.950 110.674 108.800 -0.127 0.000 2.198 318 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 318 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 318 G C -0.051 174.812 174.900 -0.062 0.000 1.025 318 G CA 0.236 45.299 45.100 -0.063 0.000 0.769 318 G HN 0.573 nan 8.290 nan 0.000 0.507 319 M N -0.507 119.035 119.600 -0.097 0.000 2.255 319 M HA 0.339 4.819 4.480 -0.000 0.000 0.336 319 M C 0.698 176.963 176.300 -0.060 0.000 1.135 319 M CA 0.279 55.530 55.300 -0.082 0.000 1.145 319 M CB 0.860 33.386 32.600 -0.123 0.000 1.473 319 M HN 0.030 nan 8.290 nan 0.000 0.462 320 K N 1.642 122.013 120.400 -0.047 0.000 2.240 320 K HA 0.304 4.624 4.320 -0.000 0.000 0.271 320 K C -0.022 176.549 176.600 -0.047 0.000 1.018 320 K CA -0.477 55.784 56.287 -0.044 0.000 0.874 320 K CB 1.216 33.694 32.500 -0.037 0.000 1.098 320 K HN 0.712 nan 8.250 nan 0.000 0.458 321 T N -0.467 114.054 114.554 -0.055 0.000 2.828 321 T HA 0.232 4.582 4.350 -0.000 0.000 0.290 321 T C 0.609 175.273 174.700 -0.060 0.000 1.019 321 T CA -0.185 61.875 62.100 -0.066 0.000 1.031 321 T CB 1.532 70.355 68.868 -0.075 0.000 1.001 321 T HN 0.421 nan 8.240 nan 0.000 0.531 322 T N -0.375 114.133 114.554 -0.075 0.000 2.310 322 T HA 0.309 4.659 4.350 -0.000 0.000 0.157 322 T C -0.772 173.856 174.700 -0.120 0.000 0.772 322 T CA -0.460 61.609 62.100 -0.052 0.000 0.860 322 T CB 0.133 69.021 68.868 0.033 0.000 2.770 322 T HN 0.809 nan 8.240 nan 0.000 0.373 323 E N 1.416 121.471 120.200 -0.243 0.000 2.151 323 E HA 0.435 4.785 4.350 -0.000 0.000 0.275 323 E C -1.439 174.786 176.600 -0.625 0.000 0.936 323 E CA -0.476 55.675 56.400 -0.414 0.000 0.777 323 E CB 0.616 30.064 29.700 -0.419 0.000 1.108 323 E HN 0.236 nan 8.360 nan 0.000 0.401 324 I N 3.586 123.927 120.570 -0.382 0.000 2.382 324 I HA 0.394 4.564 4.170 -0.000 0.000 0.285 324 I C -0.116 175.853 176.117 -0.246 0.000 1.007 324 I CA -0.660 60.450 61.300 -0.317 0.000 1.142 324 I CB 0.662 38.549 38.000 -0.189 0.000 1.289 324 I HN 0.501 nan 8.210 nan 0.000 0.453 325 A N 4.519 127.191 122.820 -0.247 0.000 2.337 325 A HA 0.834 5.154 4.320 -0.000 0.000 0.329 325 A C -0.135 177.429 177.584 -0.033 0.000 1.146 325 A CA -0.490 51.470 52.037 -0.127 0.000 0.800 325 A CB 1.532 20.460 19.000 -0.121 0.000 1.220 325 A HN 0.605 nan 8.150 nan 0.000 0.472 326 T N 2.020 116.579 114.554 0.009 0.000 2.900 326 T HA 0.627 4.977 4.350 -0.000 0.000 0.295 326 T C -2.133 172.633 174.700 0.110 0.000 1.044 326 T CA -1.631 60.505 62.100 0.061 0.000 0.995 326 T CB 1.821 70.714 68.868 0.043 0.000 1.072 326 T HN 0.405 nan 8.240 nan 0.000 0.473 327 P HA 0.145 nan 4.420 nan 0.000 0.225 327 P C -0.155 177.315 177.300 0.284 0.000 1.156 327 P CA 0.514 63.733 63.100 0.199 0.000 0.787 327 P CB 0.192 32.019 31.700 0.212 0.000 0.802 328 F N 0.025 120.033 119.950 0.096 0.000 2.635 328 F HA 0.503 5.030 4.527 -0.000 0.000 0.314 328 F C -2.038 173.826 175.800 0.106 0.000 1.119 328 F CA -1.430 56.629 58.000 0.097 0.000 1.000 328 F CB 1.511 40.579 39.000 0.113 0.000 1.278 328 F HN -0.352 nan 8.300 nan 0.000 0.446 329 L N 6.748 127.517 121.223 -0.757 0.000 2.401 329 L HA 0.375 4.715 4.340 -0.000 0.000 0.263 329 L C -1.249 175.227 176.870 -0.656 0.000 1.004 329 L CA -0.368 54.179 54.840 -0.489 0.000 0.881 329 L CB 0.277 42.197 42.059 -0.232 0.000 1.219 329 L HN 0.702 nan 8.230 nan 0.000 0.441 330 H N 4.600 123.374 119.070 -0.494 0.000 3.086 330 H HA 0.105 4.661 4.556 -0.000 0.000 0.265 330 H C 0.731 176.010 175.328 -0.082 0.000 1.092 330 H CA 0.266 56.195 56.048 -0.198 0.000 1.487 330 H CB 1.030 30.841 29.762 0.082 0.000 1.514 330 H HN 0.580 nan 8.280 nan 0.000 0.497 331 K N 3.827 124.193 120.400 -0.057 0.000 2.032 331 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 331 K C 1.844 178.523 176.600 0.132 0.000 1.048 331 K CA 1.385 57.680 56.287 0.013 0.000 0.927 331 K CB -0.193 32.279 32.500 -0.046 0.000 0.712 331 K HN 0.683 nan 8.250 nan 0.000 0.441 332 A N 0.680 123.659 122.820 0.264 0.000 1.929 332 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 332 A C 2.256 179.955 177.584 0.192 0.000 1.176 332 A CA 1.036 53.217 52.037 0.240 0.000 0.628 332 A CB -0.374 18.793 19.000 0.277 0.000 0.816 332 A HN 0.215 nan 8.150 nan 0.000 0.444 333 I N -1.696 119.014 120.570 0.234 0.000 2.353 333 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 333 I C 2.325 178.534 176.117 0.152 0.000 1.119 333 I CA 1.201 62.538 61.300 0.062 0.000 1.417 333 I CB -0.041 37.895 38.000 -0.108 0.000 1.078 333 I HN 0.247 nan 8.210 nan 0.000 0.421 334 M N 0.078 119.787 119.600 0.181 0.000 2.561 334 M HA 0.148 4.628 4.480 -0.000 0.000 0.238 334 M C 1.958 178.316 176.300 0.096 0.000 1.131 334 M CA 0.484 55.886 55.300 0.171 0.000 1.046 334 M CB -0.278 32.404 32.600 0.136 0.000 1.532 334 M HN 0.211 nan 8.290 nan 0.000 0.497 335 A N 1.050 123.911 122.820 0.068 0.000 1.859 335 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 335 A C -0.296 177.295 177.584 0.010 0.000 1.198 335 A CA 1.814 53.870 52.037 0.032 0.000 0.629 335 A CB -2.156 16.858 19.000 0.024 0.000 0.830 335 A HN 0.355 nan 8.150 nan 0.000 0.446 336 P HA -0.185 nan 4.420 nan 0.000 0.216 336 P C 0.853 178.149 177.300 -0.007 0.000 1.157 336 P CA 1.707 64.785 63.100 -0.037 0.000 0.880 336 P CB -0.145 31.498 31.700 -0.095 0.000 0.791 337 D N -1.091 119.325 120.400 0.026 0.000 2.149 337 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 337 D C 2.050 178.377 176.300 0.044 0.000 0.972 337 D CA 0.932 54.965 54.000 0.055 0.000 0.835 337 D CB -0.334 40.541 40.800 0.124 0.000 0.966 337 D HN 0.159 nan 8.370 nan 0.000 0.476 338 L N 1.247 122.495 121.223 0.042 0.000 2.079 338 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 338 L C 2.680 179.570 176.870 0.033 0.000 1.081 338 L CA 1.088 55.947 54.840 0.032 0.000 0.752 338 L CB -0.428 41.646 42.059 0.025 0.000 0.896 338 L HN -0.037 nan 8.230 nan 0.000 0.433 339 A N -0.169 122.666 122.820 0.025 0.000 1.986 339 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 339 A C 2.162 179.769 177.584 0.038 0.000 1.171 339 A CA 1.758 53.810 52.037 0.024 0.000 0.640 339 A CB -0.593 18.410 19.000 0.004 0.000 0.811 339 A HN 0.455 nan 8.150 nan 0.000 0.451 340 L N -1.041 120.196 121.223 0.025 0.000 2.554 340 L HA 0.253 4.593 4.340 -0.000 0.000 0.225 340 L C 0.566 177.482 176.870 0.076 0.000 1.104 340 L CA -0.399 54.440 54.840 -0.003 0.000 0.866 340 L CB -0.026 41.997 42.059 -0.060 0.000 1.047 340 L HN 0.244 nan 8.230 nan 0.000 0.468 341 L N 2.719 123.999 121.223 0.095 0.000 2.453 341 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 341 L C -1.790 175.198 176.870 0.195 0.000 1.182 341 L CA -1.580 53.331 54.840 0.117 0.000 0.858 341 L CB 0.780 42.867 42.059 0.048 0.000 1.120 341 L HN -0.172 nan 8.230 nan 0.000 0.474 342 P HA -0.001 nan 4.420 nan 0.000 0.265 342 P C 0.234 177.515 177.300 -0.031 0.000 1.193 342 P CA 0.021 63.143 63.100 0.036 0.000 0.765 342 P CB 0.583 32.253 31.700 -0.051 0.000 0.823 343 S N 1.945 117.594 115.700 -0.084 0.000 2.442 343 S HA -0.144 4.326 4.470 -0.000 0.000 0.236 343 S C 1.520 176.083 174.600 -0.062 0.000 1.007 343 S CA 1.137 59.301 58.200 -0.060 0.000 0.965 343 S CB -0.791 62.363 63.200 -0.076 0.000 0.773 343 S HN 0.652 nan 8.310 nan 0.000 0.504 344 N N 1.643 120.295 118.700 -0.080 0.000 2.457 344 N HA -0.072 4.668 4.740 -0.000 0.000 0.180 344 N C -0.192 175.283 175.510 -0.058 0.000 1.050 344 N CA 0.451 53.460 53.050 -0.068 0.000 0.906 344 N CB -0.998 37.443 38.487 -0.077 0.000 0.968 344 N HN 0.154 nan 8.380 nan 0.000 0.445 345 T N 1.613 116.132 114.554 -0.057 0.000 2.792 345 T HA 0.265 4.615 4.350 -0.000 0.000 0.286 345 T C 0.375 175.036 174.700 -0.064 0.000 0.970 345 T CA -0.091 61.971 62.100 -0.063 0.000 1.187 345 T CB 0.420 69.253 68.868 -0.059 0.000 0.915 345 T HN 0.386 nan 8.240 nan 0.000 0.529 346 A N 5.273 128.049 122.820 -0.074 0.000 2.395 346 A HA 0.470 4.790 4.320 -0.000 0.000 0.286 346 A C 0.252 177.780 177.584 -0.094 0.000 1.193 346 A CA -0.493 51.501 52.037 -0.071 0.000 0.852 346 A CB -0.247 18.715 19.000 -0.062 0.000 1.118 346 A HN 0.868 nan 8.150 nan 0.000 0.524 347 L N 2.692 123.871 121.223 -0.073 0.000 2.325 347 L HA 0.513 4.853 4.340 -0.000 0.000 0.279 347 L C 0.177 177.007 176.870 -0.068 0.000 1.054 347 L CA -0.113 54.681 54.840 -0.078 0.000 0.804 347 L CB 1.871 43.895 42.059 -0.057 0.000 1.200 347 L HN 0.661 nan 8.230 nan 0.000 0.436 348 T N 1.775 116.284 114.554 -0.075 0.000 2.881 348 T HA 0.291 4.641 4.350 -0.000 0.000 0.290 348 T C -0.876 173.810 174.700 -0.024 0.000 1.000 348 T CA -0.629 61.444 62.100 -0.045 0.000 0.978 348 T CB 2.023 70.861 68.868 -0.049 0.000 0.997 348 T HN 0.486 nan 8.240 nan 0.000 0.443 349 E N 1.671 121.869 120.200 -0.003 0.000 2.166 349 E HA 0.556 4.906 4.350 -0.000 0.000 0.275 349 E C 0.650 177.286 176.600 0.059 0.000 0.941 349 E CA -0.038 56.375 56.400 0.022 0.000 0.784 349 E CB 1.115 30.814 29.700 -0.001 0.000 1.115 349 E HN 0.959 nan 8.360 nan 0.000 0.399 350 G N 3.160 112.015 108.800 0.093 0.000 2.553 350 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 350 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 350 G C -0.674 174.283 174.900 0.096 0.000 1.277 350 G CA 0.266 45.429 45.100 0.104 0.000 0.910 350 G HN 0.827 nan 8.290 nan 0.000 0.576 351 Q N -1.360 118.495 119.800 0.092 0.000 2.959 351 Q HA 0.524 4.864 4.340 -0.000 0.000 0.288 351 Q C -2.004 174.050 176.000 0.090 0.000 0.911 351 Q CA -0.223 55.642 55.803 0.102 0.000 0.800 351 Q CB 1.042 29.867 28.738 0.144 0.000 1.645 351 Q HN 0.868 nan 8.270 nan 0.000 0.454 352 D N 0.991 121.448 120.400 0.094 0.000 2.471 352 D HA 0.276 4.916 4.640 -0.000 0.000 0.245 352 D C 0.153 176.516 176.300 0.105 0.000 1.116 352 D CA -0.634 53.415 54.000 0.082 0.000 0.853 352 D CB 1.523 42.362 40.800 0.066 0.000 1.123 352 D HN 0.571 nan 8.370 nan 0.000 0.540 353 L N 3.798 125.078 121.223 0.095 0.000 1.990 353 L HA -0.156 4.184 4.340 -0.000 0.000 0.213 353 L C 1.780 178.716 176.870 0.111 0.000 1.072 353 L CA 1.949 56.853 54.840 0.108 0.000 0.755 353 L CB -0.342 41.742 42.059 0.042 0.000 0.889 353 L HN 0.540 nan 8.230 nan 0.000 0.432 354 E N -0.325 119.918 120.200 0.071 0.000 2.110 354 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 354 E C 2.180 178.829 176.600 0.081 0.000 0.988 354 E CA 1.272 57.710 56.400 0.064 0.000 0.804 354 E CB -0.503 29.221 29.700 0.041 0.000 0.745 354 E HN 0.642 nan 8.360 nan 0.000 0.458 355 A N 1.200 124.070 122.820 0.083 0.000 1.877 355 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 355 A C 2.204 179.854 177.584 0.109 0.000 1.186 355 A CA 1.851 53.937 52.037 0.082 0.000 0.620 355 A CB -0.615 18.427 19.000 0.070 0.000 0.822 355 A HN 0.249 nan 8.150 nan 0.000 0.443 356 Q N -0.580 119.312 119.800 0.152 0.000 2.124 356 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 356 Q C 1.939 178.078 176.000 0.231 0.000 0.977 356 Q CA 1.286 57.214 55.803 0.209 0.000 0.850 356 Q CB -0.228 28.687 28.738 0.294 0.000 0.901 356 Q HN 0.680 nan 8.270 nan 0.000 0.429 357 L N 0.502 121.866 121.223 0.236 0.000 2.141 357 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 357 L C 1.679 178.627 176.870 0.130 0.000 1.094 357 L CA 0.904 55.863 54.840 0.198 0.000 0.763 357 L CB -0.252 41.885 42.059 0.131 0.000 0.908 357 L HN 0.255 nan 8.230 nan 0.000 0.437 358 D N -0.192 120.268 120.400 0.101 0.000 2.144 358 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 358 D C 2.312 178.647 176.300 0.057 0.000 0.978 358 D CA 0.958 55.000 54.000 0.070 0.000 0.833 358 D CB -0.030 40.804 40.800 0.058 0.000 0.961 358 D HN 0.269 nan 8.370 nan 0.000 0.470 359 R N -0.424 120.121 120.500 0.075 0.000 2.073 359 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 359 R C 2.214 178.520 176.300 0.010 0.000 1.120 359 R CA 0.962 57.101 56.100 0.065 0.000 0.967 359 R CB -0.465 29.900 30.300 0.108 0.000 0.862 359 R HN 0.327 nan 8.270 nan 0.000 0.436 360 H N 1.182 120.145 119.070 -0.178 0.000 2.265 360 H HA -0.181 4.375 4.556 -0.000 0.000 0.295 360 H C 2.111 177.249 175.328 -0.317 0.000 1.084 360 H CA 2.295 58.031 56.048 -0.521 0.000 1.261 360 H CB -0.023 29.305 29.762 -0.724 0.000 1.360 360 H HN 0.218 nan 8.280 nan 0.000 0.487 361 E N -0.084 120.084 120.200 -0.053 0.000 2.049 361 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 361 E C 2.348 178.910 176.600 -0.064 0.000 1.007 361 E CA 1.137 57.530 56.400 -0.011 0.000 0.809 361 E CB -0.362 29.387 29.700 0.081 0.000 0.749 361 E HN 0.609 nan 8.360 nan 0.000 0.450 362 A N 1.203 123.996 122.820 -0.045 0.000 1.917 362 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 362 A C 2.115 179.659 177.584 -0.067 0.000 1.182 362 A CA 1.613 53.630 52.037 -0.035 0.000 0.633 362 A CB -0.544 18.450 19.000 -0.010 0.000 0.819 362 A HN 0.349 nan 8.150 nan 0.000 0.448 363 I N -0.817 119.680 120.570 -0.120 0.000 2.315 363 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 363 I C 0.816 176.841 176.117 -0.153 0.000 1.117 363 I CA 1.163 62.392 61.300 -0.119 0.000 1.404 363 I CB -1.877 36.066 38.000 -0.095 0.000 1.071 363 I HN 0.532 nan 8.210 nan 0.000 0.419 364 N N 1.042 119.587 118.700 -0.258 0.000 2.671 364 N HA -0.118 4.622 4.740 -0.000 0.000 0.261 364 N C -2.334 173.079 175.510 -0.162 0.000 1.053 364 N CA 0.104 53.040 53.050 -0.190 0.000 0.732 364 N CB -0.607 37.867 38.487 -0.022 0.000 0.887 364 N HN 0.247 nan 8.380 nan 0.000 0.546 365 P HA 0.259 nan 4.420 nan 0.000 0.281 365 P C 0.168 177.468 177.300 0.000 0.000 1.249 365 P CA -0.269 62.765 63.100 -0.109 0.000 0.810 365 P CB 0.827 32.474 31.700 -0.089 0.000 1.008 366 D N 0.199 120.626 120.400 0.045 0.000 2.149 366 D HA -0.011 4.629 4.640 -0.000 0.000 0.201 366 D C 0.416 176.785 176.300 0.116 0.000 0.972 366 D CA 1.417 55.464 54.000 0.078 0.000 0.835 366 D CB 0.144 40.979 40.800 0.059 0.000 0.966 366 D HN 0.144 nan 8.370 nan 0.000 0.476 367 L N 0.366 121.665 121.223 0.127 0.000 2.410 367 L HA 0.333 4.673 4.340 -0.000 0.000 0.270 367 L C -1.131 175.879 176.870 0.232 0.000 0.983 367 L CA -0.236 54.709 54.840 0.175 0.000 0.822 367 L CB 2.383 44.543 42.059 0.168 0.000 1.285 367 L HN -0.313 nan 8.230 nan 0.000 0.409 368 T N 4.042 118.766 114.554 0.284 0.000 2.809 368 T HA 0.580 4.930 4.350 -0.000 0.000 0.284 368 T C -0.641 174.275 174.700 0.360 0.000 0.992 368 T CA -0.434 61.898 62.100 0.387 0.000 0.957 368 T CB 1.489 70.603 68.868 0.410 0.000 0.942 368 T HN 0.298 nan 8.240 nan 0.000 0.439 369 V N 3.865 124.007 119.914 0.381 0.000 2.465 369 V HA 0.682 4.802 4.120 -0.000 0.000 0.279 369 V C 0.550 176.875 176.094 0.385 0.000 1.045 369 V CA -0.516 61.974 62.300 0.317 0.000 0.938 369 V CB 0.379 32.359 31.823 0.261 0.000 0.986 369 V HN 1.249 nan 8.190 nan 0.000 0.467 370 C N 2.385 121.852 119.300 0.278 0.000 3.284 370 C HA 0.880 5.340 4.460 -0.000 0.000 0.348 370 C C 0.414 175.488 174.990 0.140 0.000 1.448 370 C CA -0.423 58.718 59.018 0.207 0.000 1.223 370 C CB 1.101 28.876 27.740 0.058 0.000 1.588 370 C HN 1.065 nan 8.230 nan 0.000 0.451 371 G N 0.198 109.031 108.800 0.055 0.000 2.572 371 G HA2 0.472 4.432 3.960 -0.000 0.000 0.261 371 G HA3 0.472 4.432 3.960 -0.000 0.000 0.261 371 G C 0.464 175.416 174.900 0.087 0.000 1.197 371 G CA -0.488 44.672 45.100 0.099 0.000 0.870 371 G HN 0.838 nan 8.290 nan 0.000 0.548 372 L N 1.702 123.003 121.223 0.131 0.000 2.127 372 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 372 L C 2.945 179.796 176.870 -0.031 0.000 1.089 372 L CA 2.011 56.872 54.840 0.035 0.000 0.757 372 L CB -1.326 40.737 42.059 0.006 0.000 0.899 372 L HN 0.697 nan 8.230 nan 0.000 0.434 373 G N -1.400 107.371 108.800 -0.049 0.000 2.443 373 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 373 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 373 G C 1.651 176.483 174.900 -0.113 0.000 1.131 373 G CA 0.428 45.472 45.100 -0.094 0.000 0.775 373 G HN 0.402 nan 8.290 nan 0.000 0.547 374 L N -0.209 120.932 121.223 -0.136 0.000 2.470 374 L HA 0.322 4.662 4.340 -0.000 0.000 0.219 374 L C 3.107 179.907 176.870 -0.116 0.000 1.071 374 L CA 0.504 55.231 54.840 -0.188 0.000 0.850 374 L CB -0.087 41.746 42.059 -0.376 0.000 1.040 374 L HN 0.190 nan 8.230 nan 0.000 0.475 375 A N 1.343 124.130 122.820 -0.055 0.000 1.849 375 A HA -0.290 4.029 4.320 -0.000 0.000 0.217 375 A C 1.964 179.547 177.584 -0.001 0.000 1.202 375 A CA 2.576 54.617 52.037 0.006 0.000 0.629 375 A CB -0.979 18.053 19.000 0.053 0.000 0.834 375 A HN 0.469 nan 8.150 nan 0.000 0.447 376 N N -0.036 118.648 118.700 -0.026 0.000 2.036 376 N HA -0.120 4.620 4.740 -0.000 0.000 0.195 376 N C -1.023 174.477 175.510 -0.016 0.000 1.037 376 N CA 1.878 54.914 53.050 -0.023 0.000 0.855 376 N CB -0.807 37.654 38.487 -0.042 0.000 1.033 376 N HN 0.355 nan 8.380 nan 0.000 0.423 377 P HA -0.153 nan 4.420 nan 0.000 0.216 377 P C 1.094 178.396 177.300 0.003 0.000 1.153 377 P CA 0.903 63.989 63.100 -0.024 0.000 0.858 377 P CB 0.096 31.768 31.700 -0.047 0.000 0.789 378 L N -0.319 120.911 121.223 0.013 0.000 2.056 378 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 378 L C 2.313 179.251 176.870 0.113 0.000 1.078 378 L CA 1.820 56.719 54.840 0.098 0.000 0.749 378 L CB -1.738 40.364 42.059 0.072 0.000 0.901 378 L HN 0.013 nan 8.230 nan 0.000 0.433 379 E N -0.168 120.075 120.200 0.071 0.000 2.033 379 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 379 E C 2.213 178.819 176.600 0.010 0.000 1.011 379 E CA 1.522 57.953 56.400 0.051 0.000 0.815 379 E CB -0.420 29.304 29.700 0.040 0.000 0.755 379 E HN 0.418 nan 8.360 nan 0.000 0.451 380 A N 1.241 124.062 122.820 0.002 0.000 1.971 380 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 380 A C 2.083 179.648 177.584 -0.032 0.000 1.182 380 A CA 2.292 54.321 52.037 -0.013 0.000 0.649 380 A CB -0.384 18.609 19.000 -0.012 0.000 0.818 380 A HN 0.049 nan 8.150 nan 0.000 0.458 381 K N -1.640 118.737 120.400 -0.039 0.000 2.417 381 K HA 0.277 4.597 4.320 -0.000 0.000 0.196 381 K C 0.959 177.412 176.600 -0.246 0.000 1.023 381 K CA 0.876 57.112 56.287 -0.086 0.000 1.122 381 K CB -0.218 32.279 32.500 -0.006 0.000 0.850 381 K HN 0.844 nan 8.250 nan 0.000 0.521 382 G N -0.252 108.428 108.800 -0.200 0.000 2.195 382 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.224 382 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.224 382 G C -0.501 174.266 174.900 -0.223 0.000 0.990 382 G CA 0.045 45.007 45.100 -0.230 0.000 0.639 382 G HN 0.531 nan 8.290 nan 0.000 0.514 383 H N 1.035 120.148 119.070 0.071 0.000 2.527 383 H HA 0.651 5.207 4.556 -0.000 0.000 0.321 383 H C 0.731 176.118 175.328 0.098 0.000 1.087 383 H CA 0.022 56.131 56.048 0.101 0.000 1.337 383 H CB 1.554 31.428 29.762 0.186 0.000 1.440 383 H HN 0.541 nan 8.280 nan 0.000 0.490 384 A N 3.016 125.969 122.820 0.220 0.000 2.440 384 A HA 0.418 4.738 4.320 -0.000 0.000 0.251 384 A C 0.446 178.151 177.584 0.202 0.000 1.089 384 A CA -0.041 52.099 52.037 0.172 0.000 0.779 384 A CB -0.039 19.045 19.000 0.140 0.000 1.022 384 A HN 0.807 nan 8.150 nan 0.000 0.492 385 T N -0.160 114.503 114.554 0.182 0.000 2.906 385 T HA 0.702 5.052 4.350 -0.000 0.000 0.295 385 T C -0.893 173.923 174.700 0.194 0.000 1.075 385 T CA -0.911 61.309 62.100 0.200 0.000 1.005 385 T CB 1.809 70.787 68.868 0.183 0.000 1.136 385 T HN 0.535 nan 8.240 nan 0.000 0.498 386 K N 2.579 123.097 120.400 0.197 0.000 2.640 386 K HA 0.206 4.526 4.320 -0.000 0.000 0.245 386 K C -0.570 176.109 176.600 0.132 0.000 0.962 386 K CA -0.747 55.614 56.287 0.123 0.000 0.896 386 K CB 0.893 33.390 32.500 -0.005 0.000 1.147 386 K HN 0.853 nan 8.250 nan 0.000 0.445 387 W N 3.740 125.040 121.300 0.001 0.000 2.264 387 W HA 0.168 4.828 4.660 -0.000 0.000 0.331 387 W C 0.400 176.911 176.519 -0.014 0.000 1.364 387 W CA -0.149 57.200 57.345 0.007 0.000 1.253 387 W CB -0.491 28.975 29.460 0.009 0.000 1.215 387 W HN 0.576 nan 8.180 nan 0.000 0.561 388 A N 3.919 126.772 122.820 0.054 0.000 1.930 388 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 388 A C 1.855 179.345 177.584 -0.156 0.000 1.175 388 A CA 1.502 53.506 52.037 -0.056 0.000 0.627 388 A CB -0.416 18.621 19.000 0.061 0.000 0.815 388 A HN 0.604 nan 8.150 nan 0.000 0.443 389 I N 0.125 120.673 120.570 -0.038 0.000 2.567 389 I HA -0.218 3.952 4.170 -0.000 0.000 0.257 389 I C 2.181 178.184 176.117 -0.190 0.000 1.184 389 I CA 1.564 62.884 61.300 0.033 0.000 1.451 389 I CB -0.414 37.707 38.000 0.201 0.000 1.089 389 I HN 0.520 nan 8.210 nan 0.000 0.441 390 E N 1.067 120.747 120.200 -0.866 0.000 2.204 390 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 390 E C 1.912 177.948 176.600 -0.940 0.000 0.990 390 E CA 0.946 56.660 56.400 -1.143 0.000 0.821 390 E CB -0.102 28.641 29.700 -1.595 0.000 0.750 390 E HN 0.548 nan 8.360 nan 0.000 0.477 391 L N 0.024 120.882 121.223 -0.610 0.000 2.610 391 L HA -0.010 4.330 4.340 -0.000 0.000 0.232 391 L C 1.538 178.203 176.870 -0.341 0.000 1.149 391 L CA -0.083 54.496 54.840 -0.435 0.000 0.872 391 L CB 0.236 42.118 42.059 -0.294 0.000 0.992 391 L HN 0.018 nan 8.230 nan 0.000 0.447 392 V N -1.362 118.325 119.914 -0.378 0.000 3.523 392 V HA -0.042 4.078 4.120 -0.000 0.000 0.255 392 V C 1.773 177.652 176.094 -0.357 0.000 1.226 392 V CA 0.555 62.563 62.300 -0.487 0.000 1.092 392 V CB 0.029 31.305 31.823 -0.912 0.000 0.817 392 V HN 0.477 nan 8.190 nan 0.000 0.458 393 F N 0.937 120.751 119.950 -0.226 0.000 2.374 393 F HA 0.293 4.820 4.527 -0.000 0.000 0.291 393 F C 0.956 176.698 175.800 -0.097 0.000 1.084 393 F CA 0.114 58.042 58.000 -0.120 0.000 1.413 393 F CB -1.216 37.771 39.000 -0.022 0.000 1.099 393 F HN -0.068 nan 8.300 nan 0.000 0.534 394 T N 3.865 117.975 114.554 -0.740 0.000 2.884 394 T HA 0.278 4.628 4.350 -0.000 0.000 0.298 394 T C -2.527 172.054 174.700 -0.197 0.000 0.998 394 T CA -1.026 60.808 62.100 -0.442 0.000 1.124 394 T CB 0.783 69.272 68.868 -0.631 0.000 0.931 394 T HN -0.082 nan 8.240 nan 0.000 0.531 395 P HA 0.142 nan 4.420 nan 0.000 0.265 395 P C 0.560 177.831 177.300 -0.050 0.000 1.222 395 P CA -0.139 62.941 63.100 -0.034 0.000 0.767 395 P CB 0.363 32.057 31.700 -0.011 0.000 0.801 396 V N 0.142 120.049 119.914 -0.010 0.000 3.426 396 V HA 0.225 4.345 4.120 -0.000 0.000 0.271 396 V C 0.420 176.394 176.094 -0.200 0.000 1.530 396 V CA 0.187 62.435 62.300 -0.087 0.000 1.021 396 V CB -1.013 30.754 31.823 -0.093 0.000 0.824 396 V HN 0.318 nan 8.190 nan 0.000 0.432 397 H N 0.110 118.997 119.070 -0.304 0.000 2.546 397 H HA 0.683 5.239 4.556 -0.000 0.000 0.365 397 H C -0.147 174.968 175.328 -0.355 0.000 1.220 397 H CA -0.195 55.490 56.048 -0.606 0.000 1.386 397 H CB 0.157 29.486 29.762 -0.721 0.000 1.510 397 H HN 0.195 nan 8.280 nan 0.000 0.591 398 F N -1.986 117.720 119.950 -0.407 0.000 2.183 398 F HA -0.417 4.110 4.527 -0.000 0.000 0.318 398 F C 0.662 176.303 175.800 -0.264 0.000 0.131 398 F CA 0.516 58.261 58.000 -0.424 0.000 0.912 398 F CB -1.000 37.783 39.000 -0.362 0.000 4.135 398 F HN 0.510 nan 8.300 nan 0.000 0.137 399 Y N -0.556 119.836 120.300 0.152 0.000 2.130 399 Y HA -0.064 4.486 4.550 -0.000 0.000 0.287 399 Y C 2.247 178.169 175.900 0.036 0.000 1.124 399 Y CA 1.659 59.797 58.100 0.063 0.000 1.118 399 Y CB -0.835 37.658 38.460 0.056 0.000 0.994 399 Y HN 0.542 nan 8.280 nan 0.000 0.497 400 E N 0.073 120.390 120.200 0.194 0.000 2.204 400 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 400 E C 1.649 178.295 176.600 0.077 0.000 0.990 400 E CA 1.156 57.621 56.400 0.108 0.000 0.821 400 E CB -0.023 29.719 29.700 0.070 0.000 0.750 400 E HN 0.325 nan 8.360 nan 0.000 0.477 401 Q N -0.931 118.903 119.800 0.057 0.000 2.425 401 Q HA 0.259 4.599 4.340 -0.000 0.000 0.204 401 Q C 1.611 177.609 176.000 -0.003 0.000 0.933 401 Q CA 0.724 56.537 55.803 0.017 0.000 0.939 401 Q CB 0.120 28.852 28.738 -0.010 0.000 1.044 401 Q HN 0.327 nan 8.270 nan 0.000 0.513 402 A N 0.452 123.285 122.820 0.021 0.000 1.865 402 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 402 A C 2.223 179.868 177.584 0.102 0.000 1.191 402 A CA 1.840 53.881 52.037 0.006 0.000 0.623 402 A CB -1.282 17.776 19.000 0.096 0.000 0.826 402 A HN 0.448 nan 8.150 nan 0.000 0.444 403 G N -0.133 108.762 108.800 0.158 0.000 2.421 403 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 403 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 403 G C 1.152 176.174 174.900 0.203 0.000 1.171 403 G CA 1.195 46.443 45.100 0.247 0.000 0.775 403 G HN 0.505 nan 8.290 nan 0.000 0.543 404 D N 0.403 120.868 120.400 0.108 0.000 2.116 404 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 404 D C 2.412 178.687 176.300 -0.042 0.000 0.998 404 D CA 1.085 55.104 54.000 0.031 0.000 0.836 404 D CB -0.439 40.363 40.800 0.003 0.000 0.951 404 D HN 0.244 nan 8.370 nan 0.000 0.449 405 L N 1.345 122.549 121.223 -0.033 0.000 1.971 405 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 405 L C 2.299 179.256 176.870 0.145 0.000 1.072 405 L CA 2.339 57.160 54.840 -0.032 0.000 0.758 405 L CB -0.986 40.964 42.059 -0.182 0.000 0.889 405 L HN 0.015 nan 8.230 nan 0.000 0.433 406 A N -0.624 122.330 122.820 0.224 0.000 1.940 406 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 406 A C 2.354 179.761 177.584 -0.294 0.000 1.176 406 A CA 1.685 53.847 52.037 0.208 0.000 0.631 406 A CB -1.673 17.478 19.000 0.251 0.000 0.814 406 A HN 0.601 nan 8.150 nan 0.000 0.446 407 G N -0.250 108.155 108.800 -0.659 0.000 2.440 407 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 407 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 407 G C 1.322 176.065 174.900 -0.262 0.000 1.154 407 G CA 1.203 45.933 45.100 -0.616 0.000 0.767 407 G HN 0.368 nan 8.290 nan 0.000 0.552 408 L N -0.263 120.793 121.223 -0.277 0.000 2.129 408 L HA 0.028 4.368 4.340 -0.000 0.000 0.212 408 L C 2.468 179.004 176.870 -0.555 0.000 1.087 408 L CA 1.313 55.871 54.840 -0.469 0.000 0.757 408 L CB -0.786 40.844 42.059 -0.715 0.000 0.896 408 L HN 0.296 nan 8.230 nan 0.000 0.434 409 F N -1.672 118.218 119.950 -0.099 0.000 2.446 409 F HA -0.018 4.509 4.527 -0.000 0.000 0.292 409 F C 2.598 178.384 175.800 -0.023 0.000 1.096 409 F CA 0.708 58.680 58.000 -0.046 0.000 1.438 409 F CB -0.985 38.000 39.000 -0.026 0.000 1.107 409 F HN 0.075 nan 8.300 nan 0.000 0.546 410 S N 0.921 116.690 115.700 0.115 0.000 2.356 410 S HA -0.250 4.220 4.470 -0.000 0.000 0.223 410 S C 2.119 176.775 174.600 0.092 0.000 1.032 410 S CA 1.104 59.372 58.200 0.112 0.000 1.005 410 S CB -0.766 62.529 63.200 0.160 0.000 0.867 410 S HN 0.340 nan 8.310 nan 0.000 0.449 411 R N 2.434 122.964 120.500 0.049 0.000 2.112 411 R HA -0.101 4.239 4.340 -0.000 0.000 0.242 411 R C -0.849 175.490 176.300 0.065 0.000 1.137 411 R CA 2.297 58.429 56.100 0.054 0.000 0.944 411 R CB -1.481 28.833 30.300 0.023 0.000 0.857 411 R HN 0.382 nan 8.270 nan 0.000 0.435 412 P HA -0.134 nan 4.420 nan 0.000 0.217 412 P C 1.017 178.369 177.300 0.087 0.000 1.150 412 P CA 1.281 64.432 63.100 0.084 0.000 0.832 412 P CB -0.032 31.727 31.700 0.099 0.000 0.787 413 L N -0.407 120.872 121.223 0.093 0.000 2.027 413 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 413 L C 2.721 179.635 176.870 0.074 0.000 1.074 413 L CA 1.506 56.398 54.840 0.087 0.000 0.745 413 L CB -0.888 41.226 42.059 0.092 0.000 0.898 413 L HN -0.018 nan 8.230 nan 0.000 0.433 414 R N 0.326 120.871 120.500 0.076 0.000 2.127 414 R HA -0.206 4.133 4.340 -0.000 0.000 0.238 414 R C 2.210 178.545 176.300 0.058 0.000 1.134 414 R CA 1.372 57.512 56.100 0.067 0.000 0.975 414 R CB -0.656 29.688 30.300 0.074 0.000 0.865 414 R HN 0.381 nan 8.270 nan 0.000 0.447 415 R N 1.620 122.157 120.500 0.061 0.000 2.090 415 R HA -0.072 4.268 4.340 -0.000 0.000 0.228 415 R C 2.520 178.849 176.300 0.049 0.000 1.110 415 R CA 1.255 57.387 56.100 0.054 0.000 0.973 415 R CB -0.127 30.207 30.300 0.058 0.000 0.869 415 R HN 0.241 nan 8.270 nan 0.000 0.440 416 R N 0.283 120.815 120.500 0.054 0.000 2.081 416 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 416 R C 2.031 178.354 176.300 0.040 0.000 1.131 416 R CA 1.580 57.709 56.100 0.047 0.000 0.960 416 R CB -0.380 29.954 30.300 0.056 0.000 0.856 416 R HN 0.249 nan 8.270 nan 0.000 0.436 417 A N 1.308 124.154 122.820 0.043 0.000 1.865 417 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 417 A C 2.081 179.684 177.584 0.031 0.000 1.191 417 A CA 1.461 53.520 52.037 0.036 0.000 0.623 417 A CB -0.740 18.284 19.000 0.040 0.000 0.826 417 A HN 0.388 nan 8.150 nan 0.000 0.444 418 L N -0.432 120.811 121.223 0.034 0.000 2.141 418 L HA 0.033 4.373 4.340 -0.000 0.000 0.209 418 L C 1.859 178.744 176.870 0.025 0.000 1.094 418 L CA 1.334 56.192 54.840 0.029 0.000 0.763 418 L CB -0.400 41.678 42.059 0.033 0.000 0.908 418 L HN 0.399 nan 8.230 nan 0.000 0.437 419 L N -0.157 121.082 121.223 0.026 0.000 2.645 419 L HA 0.079 4.419 4.340 -0.000 0.000 0.235 419 L C -0.078 176.802 176.870 0.017 0.000 1.150 419 L CA 0.114 54.966 54.840 0.021 0.000 0.911 419 L CB -1.007 41.065 42.059 0.022 0.000 1.077 419 L HN 0.592 nan 8.230 nan 0.000 0.438 420 N N 0.000 118.710 118.700 0.017 0.000 1.763 420 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 420 N CA 0.000 53.058 53.050 0.013 0.000 0.885 420 N CB 0.000 38.493 38.487 0.011 0.000 1.341 420 N HN 0.000 nan 8.380 nan 0.000 0.667