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 3gg0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLTTLIYRSQ VHPDRPPVDL DALVHRASSK NLPLGITGIL LFNGLQFFQV DATA SEQUENCE LEGTEEALES LFSEIQSDPR HRDVVELMRD YSAYRRFHGT GMRILDLRLF DATA SEQUENCE ETDGALEEIL RFSTXXXXXP VNDRMFRLLS AFIADGGRYC LPEPLQPSRW DATA SEQUENCE MMMPXXXTAA PQHLPGQPCQ FALQAIVEPA KKRVSSFEAL IRSPTGGSPV DATA SEQUENCE EMFAAIAAED RYRFDLESKA YAFALAGQLP LGKHQLAINL LPGSLYHHPD DATA SEQUENCE AVGWLMDSLL AAGLRPDQVL IEVTETEVIT CFDQFRKVLK ALRVAGMKLA DATA SEQUENCE IDDFGAGYSG LSLLTRFQPD KIKVDAELVR DIHISGTKQA IVASVVRCCE DATA SEQUENCE DLGITVVAEG VETLEEWCWL QSVGIRLFQG FLFSRPCLNG IGEICWPVAR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.364 176.300 0.106 0.000 1.140 1 M CA 0.000 55.357 55.300 0.096 0.000 0.988 1 M CB 0.000 32.681 32.600 0.135 0.000 1.302 2 L N 3.282 124.563 121.223 0.097 0.000 2.417 2 L HA 0.785 5.184 4.340 0.098 0.000 0.268 2 L C -0.159 176.750 176.870 0.066 0.000 1.158 2 L CA 1.175 56.056 54.840 0.068 0.000 0.819 2 L CB 1.185 43.278 42.059 0.057 0.000 1.112 2 L HN 0.778 nan 8.230 nan 0.000 0.458 3 T N 2.306 116.860 114.554 -0.001 0.000 2.916 3 T HA 0.474 4.883 4.350 0.098 0.000 0.305 3 T C -0.878 173.770 174.700 -0.087 0.000 1.119 3 T CA -0.541 61.514 62.100 -0.076 0.000 1.008 3 T CB 1.677 70.462 68.868 -0.138 0.000 1.129 3 T HN 0.587 nan 8.240 nan 0.000 0.480 4 T N 2.663 117.147 114.554 -0.117 0.000 2.792 4 T HA 0.644 5.053 4.350 0.098 0.000 0.280 4 T C -0.912 173.699 174.700 -0.149 0.000 0.990 4 T CA -0.509 61.527 62.100 -0.107 0.000 0.960 4 T CB 0.846 69.662 68.868 -0.087 0.000 0.939 4 T HN 0.429 nan 8.240 nan 0.000 0.439 5 L N 5.009 126.133 121.223 -0.165 0.000 2.341 5 L HA 0.740 5.139 4.340 0.098 0.000 0.278 5 L C -1.411 175.304 176.870 -0.260 0.000 1.005 5 L CA -0.746 53.950 54.840 -0.241 0.000 0.818 5 L CB 0.836 42.706 42.059 -0.315 0.000 1.259 5 L HN 0.636 nan 8.230 nan 0.000 0.418 6 I N 5.126 125.522 120.570 -0.290 0.000 2.533 6 I HA 0.431 4.660 4.170 0.098 0.000 0.290 6 I C -1.272 174.625 176.117 -0.367 0.000 1.056 6 I CA -0.717 60.342 61.300 -0.402 0.000 1.057 6 I CB 1.853 39.643 38.000 -0.350 0.000 1.240 6 I HN 0.589 nan 8.210 nan 0.000 0.423 7 Y N 4.519 124.512 120.300 -0.512 0.000 2.615 7 Y HA 0.812 5.421 4.550 0.098 0.000 0.341 7 Y C -1.056 174.623 175.900 -0.369 0.000 1.089 7 Y CA -1.459 56.436 58.100 -0.343 0.000 1.049 7 Y CB 1.260 39.616 38.460 -0.174 0.000 1.296 7 Y HN 0.625 nan 8.280 nan 0.000 0.470 8 R N 1.249 121.798 120.500 0.082 0.000 2.803 8 R HA 0.929 5.327 4.340 0.098 0.000 0.276 8 R C -1.315 175.208 176.300 0.371 0.000 0.978 8 R CA -0.470 55.730 56.100 0.167 0.000 0.939 8 R CB 2.143 32.619 30.300 0.293 0.000 1.179 8 R HN 1.069 nan 8.270 nan 0.000 0.472 9 S N 0.948 116.883 115.700 0.392 0.000 2.671 9 S HA 0.424 4.953 4.470 0.098 0.000 0.277 9 S C -1.034 173.776 174.600 0.349 0.000 1.165 9 S CA -1.099 57.284 58.200 0.304 0.000 0.822 9 S CB 1.967 65.219 63.200 0.087 0.000 1.150 9 S HN 0.737 nan 8.310 nan 0.000 0.479 10 Q N 0.561 120.517 119.800 0.260 0.000 2.387 10 Q HA 0.653 5.052 4.340 0.098 0.000 0.273 10 Q C -0.352 175.779 176.000 0.218 0.000 1.089 10 Q CA -1.230 54.690 55.803 0.195 0.000 0.824 10 Q CB 2.195 31.003 28.738 0.116 0.000 1.367 10 Q HN 0.778 nan 8.270 nan 0.000 0.443 11 V N -1.773 118.232 119.914 0.152 0.000 3.003 11 V HA 0.177 4.356 4.120 0.098 0.000 0.305 11 V C -0.048 176.100 176.094 0.090 0.000 1.078 11 V CA -0.508 61.917 62.300 0.209 0.000 1.083 11 V CB 0.573 32.516 31.823 0.200 0.000 1.039 11 V HN 0.695 nan 8.190 nan 0.000 0.481 12 H N 4.825 124.009 119.070 0.192 0.000 2.864 12 H HA 0.236 4.851 4.556 0.098 0.000 0.281 12 H C -1.603 173.792 175.328 0.112 0.000 1.093 12 H CA -1.110 55.020 56.048 0.138 0.000 1.453 12 H CB 1.371 31.208 29.762 0.124 0.000 1.462 12 H HN 0.639 nan 8.280 nan 0.000 0.480 13 P HA -0.063 nan 4.420 nan 0.000 0.231 13 P C 0.353 177.716 177.300 0.105 0.000 1.168 13 P CA 0.653 63.823 63.100 0.117 0.000 0.779 13 P CB 0.401 32.146 31.700 0.075 0.000 0.844 14 D N -1.696 118.773 120.400 0.115 0.000 2.363 14 D HA 0.076 4.775 4.640 0.098 0.000 0.214 14 D C 0.713 177.062 176.300 0.081 0.000 1.093 14 D CA -0.144 53.907 54.000 0.084 0.000 0.837 14 D CB -0.088 40.754 40.800 0.070 0.000 0.948 14 D HN 0.064 nan 8.370 nan 0.000 0.507 15 R N 1.003 121.567 120.500 0.107 0.000 2.720 15 R HA 0.484 4.883 4.340 0.098 0.000 0.272 15 R C -2.280 174.069 176.300 0.082 0.000 0.991 15 R CA -1.865 54.284 56.100 0.081 0.000 1.010 15 R CB 0.542 30.890 30.300 0.078 0.000 1.141 15 R HN 0.038 nan 8.270 nan 0.000 0.494 16 P HA 0.038 nan 4.420 nan 0.000 0.266 16 P C -2.347 174.999 177.300 0.075 0.000 1.195 16 P CA -0.797 62.337 63.100 0.057 0.000 0.768 16 P CB -0.318 31.405 31.700 0.038 0.000 0.838 17 P HA 0.040 nan 4.420 nan 0.000 0.268 17 P C -0.329 177.015 177.300 0.073 0.000 1.205 17 P CA 0.030 63.187 63.100 0.095 0.000 0.771 17 P CB 0.372 32.129 31.700 0.094 0.000 0.858 18 V N 2.959 122.920 119.914 0.078 0.000 2.555 18 V HA 0.001 4.180 4.120 0.098 0.000 0.286 18 V C 0.902 177.006 176.094 0.017 0.000 1.044 18 V CA -0.033 62.294 62.300 0.045 0.000 1.026 18 V CB 0.439 32.296 31.823 0.057 0.000 0.981 18 V HN 0.551 nan 8.190 nan 0.000 0.480 19 D N 4.137 124.541 120.400 0.006 0.000 2.367 19 D HA 0.096 4.795 4.640 0.098 0.000 0.255 19 D C 0.810 177.100 176.300 -0.017 0.000 1.300 19 D CA 0.373 54.374 54.000 0.001 0.000 0.959 19 D CB 0.519 41.320 40.800 0.002 0.000 1.064 19 D HN 0.483 nan 8.370 nan 0.000 0.509 20 L N 2.584 123.794 121.223 -0.021 0.000 2.270 20 L HA -0.027 4.372 4.340 0.098 0.000 0.210 20 L C 1.747 178.609 176.870 -0.013 0.000 1.104 20 L CA 0.337 55.152 54.840 -0.042 0.000 0.804 20 L CB 0.021 42.041 42.059 -0.065 0.000 0.937 20 L HN 0.334 nan 8.230 nan 0.000 0.450 21 D N 0.562 120.966 120.400 0.008 0.000 2.123 21 D HA -0.191 4.508 4.640 0.098 0.000 0.196 21 D C 2.160 178.477 176.300 0.030 0.000 0.992 21 D CA 1.617 55.628 54.000 0.018 0.000 0.833 21 D CB 0.181 40.987 40.800 0.010 0.000 0.954 21 D HN 0.328 nan 8.370 nan 0.000 0.455 22 A N 0.912 123.743 122.820 0.018 0.000 1.898 22 A HA -0.093 4.286 4.320 0.098 0.000 0.216 22 A C 2.314 179.916 177.584 0.030 0.000 1.181 22 A CA 0.690 52.748 52.037 0.034 0.000 0.620 22 A CB -0.764 18.244 19.000 0.013 0.000 0.819 22 A HN 0.241 nan 8.150 nan 0.000 0.442 23 L N -0.291 120.923 121.223 -0.015 0.000 2.012 23 L HA -0.158 4.241 4.340 0.098 0.000 0.210 23 L C 2.418 179.258 176.870 -0.050 0.000 1.073 23 L CA 1.627 56.433 54.840 -0.056 0.000 0.748 23 L CB -0.173 41.819 42.059 -0.111 0.000 0.891 23 L HN 0.224 nan 8.230 nan 0.000 0.431 24 V N -0.916 118.982 119.914 -0.027 0.000 2.379 24 V HA -0.295 3.884 4.120 0.098 0.000 0.245 24 V C 2.370 178.461 176.094 -0.006 0.000 1.044 24 V CA 1.977 64.261 62.300 -0.027 0.000 1.036 24 V CB -0.756 31.061 31.823 -0.010 0.000 0.664 24 V HN 0.635 nan 8.190 nan 0.000 0.453 25 H N 0.670 119.713 119.070 -0.045 0.000 2.326 25 H HA -0.151 4.464 4.556 0.098 0.000 0.301 25 H C 2.443 177.748 175.328 -0.038 0.000 1.081 25 H CA 2.214 58.239 56.048 -0.038 0.000 1.334 25 H CB -0.118 29.627 29.762 -0.029 0.000 1.385 25 H HN 0.216 nan 8.280 nan 0.000 0.504 26 R N -0.161 120.274 120.500 -0.108 0.000 2.096 26 R HA -0.104 4.295 4.340 0.098 0.000 0.235 26 R C 2.330 178.538 176.300 -0.153 0.000 1.127 26 R CA 1.159 57.173 56.100 -0.145 0.000 0.968 26 R CB -0.347 29.929 30.300 -0.040 0.000 0.861 26 R HN 0.456 nan 8.270 nan 0.000 0.440 27 A N -0.542 122.207 122.820 -0.119 0.000 1.873 27 A HA -0.126 4.253 4.320 0.098 0.000 0.215 27 A C 2.147 179.662 177.584 -0.115 0.000 1.186 27 A CA 1.711 53.686 52.037 -0.103 0.000 0.616 27 A CB -0.729 18.218 19.000 -0.089 0.000 0.823 27 A HN 0.392 nan 8.150 nan 0.000 0.442 28 S N -0.776 114.842 115.700 -0.136 0.000 2.382 28 S HA -0.131 4.398 4.470 0.098 0.000 0.228 28 S C 2.326 176.837 174.600 -0.149 0.000 1.027 28 S CA 1.702 59.826 58.200 -0.127 0.000 0.991 28 S CB -0.360 62.772 63.200 -0.113 0.000 0.823 28 S HN 0.598 nan 8.310 nan 0.000 0.469 29 S N 0.235 115.794 115.700 -0.235 0.000 2.382 29 S HA -0.022 4.507 4.470 0.098 0.000 0.228 29 S C 1.885 176.408 174.600 -0.127 0.000 1.027 29 S CA 1.354 59.426 58.200 -0.214 0.000 0.991 29 S CB -0.221 62.785 63.200 -0.323 0.000 0.823 29 S HN 0.554 nan 8.310 nan 0.000 0.469 30 K N 0.155 120.487 120.400 -0.115 0.000 2.186 30 K HA 0.074 4.453 4.320 0.098 0.000 0.202 30 K C 1.683 178.247 176.600 -0.060 0.000 1.052 30 K CA 0.781 57.022 56.287 -0.076 0.000 0.965 30 K CB -0.048 32.410 32.500 -0.069 0.000 0.746 30 K HN 0.227 nan 8.250 nan 0.000 0.457 31 N N 1.141 119.802 118.700 -0.064 0.000 2.106 31 N HA -0.147 4.652 4.740 0.098 0.000 0.188 31 N C 1.635 177.118 175.510 -0.045 0.000 1.029 31 N CA 0.783 53.804 53.050 -0.049 0.000 0.848 31 N CB -0.236 38.221 38.487 -0.051 0.000 1.007 31 N HN 0.060 nan 8.380 nan 0.000 0.423 32 L N 1.346 122.539 121.223 -0.051 0.000 2.046 32 L HA -0.027 4.372 4.340 0.098 0.000 0.208 32 L C -0.854 175.993 176.870 -0.038 0.000 1.077 32 L CA 1.691 56.503 54.840 -0.047 0.000 0.747 32 L CB -1.382 40.649 42.059 -0.046 0.000 0.896 32 L HN 0.130 nan 8.230 nan 0.000 0.432 33 P HA -0.138 nan 4.420 nan 0.000 0.218 33 P C 1.589 178.877 177.300 -0.021 0.000 1.149 33 P CA 1.300 64.385 63.100 -0.025 0.000 0.817 33 P CB 0.002 31.687 31.700 -0.025 0.000 0.785 34 L N -1.912 119.297 121.223 -0.023 0.000 2.612 34 L HA 0.250 4.649 4.340 0.098 0.000 0.230 34 L C 1.130 177.990 176.870 -0.016 0.000 1.140 34 L CA 0.342 55.171 54.840 -0.017 0.000 0.896 34 L CB -1.108 40.940 42.059 -0.018 0.000 1.065 34 L HN 0.094 nan 8.230 nan 0.000 0.447 35 G N 1.379 110.165 108.800 -0.023 0.000 2.273 35 G HA2 -0.288 3.731 3.960 0.098 0.000 0.280 35 G HA3 -0.288 3.731 3.960 0.098 0.000 0.280 35 G C -0.011 174.874 174.900 -0.024 0.000 1.047 35 G CA 0.042 45.126 45.100 -0.026 0.000 0.869 35 G HN 0.363 nan 8.290 nan 0.000 0.502 36 I N 1.098 121.652 120.570 -0.027 0.000 2.404 36 I HA 0.605 4.834 4.170 0.098 0.000 0.293 36 I C 0.704 176.809 176.117 -0.021 0.000 0.992 36 I CA -0.320 60.968 61.300 -0.020 0.000 1.149 36 I CB 2.026 40.014 38.000 -0.020 0.000 1.315 36 I HN 0.284 nan 8.210 nan 0.000 0.446 37 T N 1.539 116.094 114.554 0.001 0.000 2.888 37 T HA 0.984 5.393 4.350 0.098 0.000 0.288 37 T C -0.116 174.608 174.700 0.039 0.000 1.063 37 T CA -0.649 61.468 62.100 0.029 0.000 1.010 37 T CB 2.322 71.237 68.868 0.079 0.000 1.214 37 T HN 1.063 nan 8.240 nan 0.000 0.533 38 G N -0.083 108.723 108.800 0.010 0.000 2.340 38 G HA2 0.405 4.423 3.960 0.098 0.000 0.282 38 G HA3 0.405 4.423 3.960 0.098 0.000 0.282 38 G C -1.677 172.974 174.900 -0.414 0.000 1.312 38 G CA -0.407 44.591 45.100 -0.171 0.000 0.942 38 G HN 1.530 nan 8.290 nan 0.000 0.495 39 I N -2.563 117.699 120.570 -0.513 0.000 2.969 39 I HA 0.920 5.149 4.170 0.098 0.000 0.307 39 I C -1.211 174.789 176.117 -0.195 0.000 1.149 39 I CA -1.444 59.631 61.300 -0.374 0.000 1.008 39 I CB 2.266 39.988 38.000 -0.462 0.000 1.232 39 I HN 0.715 nan 8.210 nan 0.000 0.435 40 L N 3.751 124.923 121.223 -0.084 0.000 2.346 40 L HA 0.683 5.082 4.340 0.098 0.000 0.276 40 L C -1.501 175.445 176.870 0.127 0.000 1.006 40 L CA -0.535 54.305 54.840 -0.001 0.000 0.817 40 L CB 1.667 43.730 42.059 0.007 0.000 1.272 40 L HN 0.579 nan 8.230 nan 0.000 0.421 41 L N 5.248 126.588 121.223 0.196 0.000 2.333 41 L HA 0.538 4.937 4.340 0.098 0.000 0.280 41 L C -1.180 175.980 176.870 0.484 0.000 1.004 41 L CA 0.012 55.026 54.840 0.290 0.000 0.820 41 L CB 1.423 43.607 42.059 0.208 0.000 1.247 41 L HN 0.500 nan 8.230 nan 0.000 0.416 42 F N 3.772 123.902 119.950 0.299 0.000 2.507 42 F HA 0.439 5.025 4.527 0.098 0.000 0.325 42 F C 0.510 176.426 175.800 0.193 0.000 1.116 42 F CA -0.980 57.165 58.000 0.242 0.000 0.930 42 F CB 1.548 40.687 39.000 0.231 0.000 1.146 42 F HN 0.629 nan 8.300 nan 0.000 0.447 43 N N 2.407 120.847 118.700 -0.434 0.000 2.159 43 N HA 0.319 5.118 4.740 0.098 0.000 0.217 43 N C 0.915 176.004 175.510 -0.701 0.000 1.223 43 N CA 0.465 53.254 53.050 -0.436 0.000 0.896 43 N CB 0.961 39.287 38.487 -0.269 0.000 1.064 43 N HN 0.911 nan 8.380 nan 0.000 0.518 44 G N 0.178 108.083 108.800 -1.492 0.000 2.376 44 G HA2 -0.237 3.782 3.960 0.098 0.000 0.208 44 G HA3 -0.237 3.782 3.960 0.098 0.000 0.208 44 G C 0.432 175.055 174.900 -0.461 0.000 1.032 44 G CA 0.328 44.862 45.100 -0.943 0.000 0.641 44 G HN 0.216 nan 8.290 nan 0.000 0.503 45 L N 0.412 121.431 121.223 -0.339 0.000 2.685 45 L HA 0.523 4.922 4.340 0.098 0.000 0.235 45 L C 0.887 177.740 176.870 -0.029 0.000 1.070 45 L CA 0.719 55.504 54.840 -0.092 0.000 0.888 45 L CB 0.796 42.813 42.059 -0.069 0.000 1.203 45 L HN 0.318 nan 8.230 nan 0.000 0.499 46 Q N -1.210 118.565 119.800 -0.041 0.000 2.397 46 Q HA 0.547 4.946 4.340 0.098 0.000 0.275 46 Q C -1.498 174.617 176.000 0.193 0.000 1.090 46 Q CA -0.542 55.346 55.803 0.141 0.000 0.809 46 Q CB 2.616 31.563 28.738 0.348 0.000 1.362 46 Q HN -0.164 nan 8.270 nan 0.000 0.431 47 F N 1.056 121.287 119.950 0.467 0.000 2.440 47 F HA 0.631 5.217 4.527 0.098 0.000 0.328 47 F C -0.528 175.273 175.800 0.002 0.000 1.070 47 F CA -0.822 57.373 58.000 0.324 0.000 1.011 47 F CB 0.970 40.150 39.000 0.301 0.000 1.226 47 F HN 0.421 nan 8.300 nan 0.000 0.491 48 F N 2.297 122.099 119.950 -0.246 0.000 2.730 48 F HA 0.373 4.958 4.527 0.098 0.000 0.335 48 F C -1.030 174.472 175.800 -0.497 0.000 1.212 48 F CA -0.297 57.289 58.000 -0.690 0.000 1.016 48 F CB 1.184 39.238 39.000 -1.577 0.000 1.290 48 F HN 0.465 nan 8.300 nan 0.000 0.495 49 Q N 5.144 124.340 119.800 -1.006 0.000 2.353 49 Q HA 0.726 5.125 4.340 0.098 0.000 0.268 49 Q C -1.849 173.714 176.000 -0.728 0.000 1.045 49 Q CA -0.889 54.463 55.803 -0.753 0.000 0.811 49 Q CB 2.463 30.741 28.738 -0.766 0.000 1.305 49 Q HN 0.564 nan 8.270 nan 0.000 0.447 50 V N 5.091 124.772 119.914 -0.389 0.000 2.435 50 V HA 0.511 4.690 4.120 0.098 0.000 0.290 50 V C -0.427 175.577 176.094 -0.149 0.000 1.030 50 V CA -0.614 61.546 62.300 -0.234 0.000 0.881 50 V CB 1.477 33.292 31.823 -0.013 0.000 0.983 50 V HN 0.710 nan 8.190 nan 0.000 0.445 51 L N 4.623 125.778 121.223 -0.113 0.000 2.385 51 L HA 0.647 5.046 4.340 0.098 0.000 0.273 51 L C -0.441 176.410 176.870 -0.031 0.000 0.990 51 L CA -0.455 54.347 54.840 -0.064 0.000 0.821 51 L CB 2.319 44.334 42.059 -0.073 0.000 1.279 51 L HN 0.634 nan 8.230 nan 0.000 0.412 52 E N 1.797 122.001 120.200 0.007 0.000 2.222 52 E HA 0.813 5.222 4.350 0.098 0.000 0.267 52 E C -0.357 176.242 176.600 -0.001 0.000 0.884 52 E CA -0.740 55.666 56.400 0.010 0.000 0.764 52 E CB 2.917 32.651 29.700 0.057 0.000 1.169 52 E HN 0.760 nan 8.360 nan 0.000 0.413 53 G N 0.852 109.647 108.800 -0.009 0.000 2.324 53 G HA2 0.148 4.167 3.960 0.098 0.000 0.293 53 G HA3 0.148 4.167 3.960 0.098 0.000 0.293 53 G C -0.492 174.406 174.900 -0.004 0.000 1.297 53 G CA -0.492 44.606 45.100 -0.004 0.000 0.853 53 G HN 0.512 nan 8.290 nan 0.000 0.535 54 T N -1.761 112.796 114.554 0.005 0.000 2.856 54 T HA 0.308 4.717 4.350 0.098 0.000 0.306 54 T C 1.250 175.948 174.700 -0.004 0.000 1.062 54 T CA 0.919 63.027 62.100 0.013 0.000 1.083 54 T CB 1.706 70.586 68.868 0.021 0.000 0.984 54 T HN 0.797 nan 8.240 nan 0.000 0.542 55 E N 0.408 120.607 120.200 -0.000 0.000 2.130 55 E HA -0.240 4.169 4.350 0.098 0.000 0.196 55 E C 1.689 178.283 176.600 -0.011 0.000 0.998 55 E CA 1.549 57.933 56.400 -0.027 0.000 0.806 55 E CB -0.011 29.684 29.700 -0.008 0.000 0.738 55 E HN 0.782 nan 8.360 nan 0.000 0.459 56 E N -0.116 120.088 120.200 0.006 0.000 2.112 56 E HA -0.028 4.381 4.350 0.098 0.000 0.190 56 E C 1.666 178.271 176.600 0.007 0.000 0.979 56 E CA 1.056 57.461 56.400 0.009 0.000 0.814 56 E CB -0.143 29.565 29.700 0.013 0.000 0.762 56 E HN 0.364 nan 8.360 nan 0.000 0.460 57 A N 0.272 123.094 122.820 0.004 0.000 1.968 57 A HA -0.047 4.332 4.320 0.098 0.000 0.217 57 A C 2.052 179.641 177.584 0.007 0.000 1.169 57 A CA 0.774 52.813 52.037 0.004 0.000 0.638 57 A CB -0.369 18.631 19.000 -0.000 0.000 0.812 57 A HN 0.184 nan 8.150 nan 0.000 0.446 58 L N -1.225 119.998 121.223 0.000 0.000 2.131 58 L HA -0.092 4.307 4.340 0.098 0.000 0.206 58 L C 2.545 179.443 176.870 0.046 0.000 1.087 58 L CA 1.433 56.274 54.840 0.002 0.000 0.767 58 L CB -0.464 41.568 42.059 -0.045 0.000 0.917 58 L HN 0.538 nan 8.230 nan 0.000 0.441 59 E N 0.014 120.236 120.200 0.037 0.000 2.031 59 E HA -0.259 4.150 4.350 0.098 0.000 0.193 59 E C 2.340 178.981 176.600 0.069 0.000 0.994 59 E CA 1.634 58.075 56.400 0.068 0.000 0.800 59 E CB 0.033 29.753 29.700 0.032 0.000 0.752 59 E HN 0.231 nan 8.360 nan 0.000 0.447 60 S N -0.359 115.363 115.700 0.036 0.000 2.399 60 S HA -0.139 4.390 4.470 0.098 0.000 0.231 60 S C 1.887 176.501 174.600 0.024 0.000 1.022 60 S CA 0.974 59.185 58.200 0.019 0.000 0.983 60 S CB -0.211 62.994 63.200 0.008 0.000 0.803 60 S HN 0.320 nan 8.310 nan 0.000 0.480 61 L N 0.405 121.656 121.223 0.048 0.000 2.095 61 L HA 0.272 4.671 4.340 0.098 0.000 0.204 61 L C 1.875 178.809 176.870 0.107 0.000 1.080 61 L CA 1.676 56.550 54.840 0.056 0.000 0.759 61 L CB -0.826 41.264 42.059 0.053 0.000 0.914 61 L HN 0.500 nan 8.230 nan 0.000 0.439 62 F N -0.855 119.062 119.950 -0.054 0.000 2.325 62 F HA -0.173 4.413 4.527 0.098 0.000 0.299 62 F C 2.249 177.989 175.800 -0.100 0.000 1.090 62 F CA 0.980 58.927 58.000 -0.087 0.000 1.392 62 F CB 0.157 39.104 39.000 -0.088 0.000 1.053 62 F HN 0.100 nan 8.300 nan 0.000 0.521 63 S N 0.273 115.904 115.700 -0.115 0.000 2.368 63 S HA -0.198 4.331 4.470 0.098 0.000 0.224 63 S C 1.691 176.190 174.600 -0.168 0.000 1.029 63 S CA 1.441 59.525 58.200 -0.193 0.000 0.988 63 S CB -0.369 62.774 63.200 -0.095 0.000 0.838 63 S HN 0.492 nan 8.310 nan 0.000 0.462 64 E N 0.723 120.865 120.200 -0.097 0.000 2.077 64 E HA -0.092 4.317 4.350 0.098 0.000 0.193 64 E C 2.006 178.547 176.600 -0.098 0.000 0.989 64 E CA 0.993 57.345 56.400 -0.080 0.000 0.800 64 E CB -0.258 29.413 29.700 -0.049 0.000 0.746 64 E HN 0.462 nan 8.360 nan 0.000 0.452 65 I N 1.013 121.526 120.570 -0.096 0.000 2.315 65 I HA -0.289 3.940 4.170 0.098 0.000 0.248 65 I C 2.512 178.569 176.117 -0.101 0.000 1.117 65 I CA 1.100 62.353 61.300 -0.079 0.000 1.404 65 I CB -0.146 37.874 38.000 0.034 0.000 1.071 65 I HN 0.125 nan 8.210 nan 0.000 0.419 66 Q N -0.038 119.548 119.800 -0.356 0.000 2.135 66 Q HA -0.169 4.230 4.340 0.098 0.000 0.204 66 Q C 1.958 177.874 176.000 -0.140 0.000 0.981 66 Q CA 1.686 57.256 55.803 -0.388 0.000 0.856 66 Q CB 0.006 28.382 28.738 -0.603 0.000 0.902 66 Q HN 0.361 nan 8.270 nan 0.000 0.425 67 S N 0.448 116.080 115.700 -0.113 0.000 2.575 67 S HA 0.011 4.540 4.470 0.098 0.000 0.215 67 S C -0.093 174.499 174.600 -0.014 0.000 0.966 67 S CA -0.186 57.983 58.200 -0.052 0.000 0.911 67 S CB 0.150 63.311 63.200 -0.065 0.000 0.780 67 S HN 0.265 nan 8.310 nan 0.000 0.514 68 D N 2.552 122.944 120.400 -0.013 0.000 2.358 68 D HA 0.117 4.816 4.640 0.098 0.000 0.258 68 D C -1.930 174.396 176.300 0.044 0.000 1.223 68 D CA -1.709 52.262 54.000 -0.048 0.000 0.886 68 D CB 1.447 42.127 40.800 -0.200 0.000 1.120 68 D HN 0.041 nan 8.370 nan 0.000 0.482 69 P HA 0.011 nan 4.420 nan 0.000 0.230 69 P C 0.981 178.367 177.300 0.145 0.000 1.158 69 P CA 0.573 63.725 63.100 0.088 0.000 0.769 69 P CB 0.289 31.991 31.700 0.003 0.000 0.807 70 R N -1.076 119.469 120.500 0.074 0.000 2.280 70 R HA -0.003 4.396 4.340 0.098 0.000 0.207 70 R C 1.129 177.622 176.300 0.322 0.000 1.043 70 R CA 0.538 56.708 56.100 0.116 0.000 1.006 70 R CB -0.437 29.839 30.300 -0.040 0.000 0.885 70 R HN 0.550 nan 8.270 nan 0.000 0.467 71 H N -1.721 117.517 119.070 0.279 0.000 2.960 71 H HA 0.565 5.180 4.556 0.099 0.000 0.338 71 H C -0.837 174.599 175.328 0.180 0.000 1.261 71 H CA -1.530 54.690 56.048 0.286 0.000 1.136 71 H CB 1.500 31.475 29.762 0.355 0.000 1.875 71 H HN -0.129 nan 8.280 nan 0.000 0.550 72 R N -0.429 120.149 120.500 0.130 0.000 2.831 72 R HA 0.283 4.682 4.340 0.098 0.000 0.266 72 R C -1.406 174.903 176.300 0.016 0.000 1.051 72 R CA -0.596 55.521 56.100 0.029 0.000 0.943 72 R CB 0.796 31.039 30.300 -0.095 0.000 1.228 72 R HN 0.697 nan 8.270 nan 0.000 0.467 73 D N -0.102 120.358 120.400 0.100 0.000 2.699 73 D HA -0.107 4.592 4.640 0.098 0.000 0.239 73 D C -0.505 175.863 176.300 0.114 0.000 1.136 73 D CA 0.726 54.865 54.000 0.232 0.000 0.668 73 D CB -1.320 39.717 40.800 0.396 0.000 1.060 73 D HN 0.338 nan 8.370 nan 0.000 0.429 74 V N 0.568 120.450 119.914 -0.054 0.000 2.446 74 V HA 0.156 4.335 4.120 0.098 0.000 0.276 74 V C 0.952 177.011 176.094 -0.059 0.000 1.030 74 V CA -0.188 62.039 62.300 -0.122 0.000 1.033 74 V CB 1.423 33.054 31.823 -0.321 0.000 0.993 74 V HN 0.070 nan 8.190 nan 0.000 0.477 75 V N 5.121 125.055 119.914 0.033 0.000 2.376 75 V HA 0.312 4.491 4.120 0.098 0.000 0.287 75 V C 0.220 176.339 176.094 0.043 0.000 1.015 75 V CA -0.692 61.581 62.300 -0.044 0.000 0.834 75 V CB 1.604 33.379 31.823 -0.079 0.000 1.001 75 V HN 0.937 nan 8.190 nan 0.000 0.428 76 E N 3.872 124.079 120.200 0.011 0.000 2.344 76 E HA 0.268 4.677 4.350 0.098 0.000 0.270 76 E C 0.006 176.571 176.600 -0.057 0.000 1.021 76 E CA -0.227 56.164 56.400 -0.014 0.000 0.887 76 E CB 1.022 30.704 29.700 -0.029 0.000 0.997 76 E HN 0.681 nan 8.360 nan 0.000 0.429 77 L N 3.905 125.085 121.223 -0.072 0.000 2.577 77 L HA 0.324 4.723 4.340 0.098 0.000 0.225 77 L C 0.809 177.645 176.870 -0.057 0.000 1.053 77 L CA 0.032 54.845 54.840 -0.045 0.000 0.866 77 L CB 0.341 42.399 42.059 -0.002 0.000 1.132 77 L HN 0.572 nan 8.230 nan 0.000 0.486 78 M N 0.217 119.757 119.600 -0.100 0.000 2.284 78 M HA 0.399 4.938 4.480 0.098 0.000 0.281 78 M C -1.691 174.523 176.300 -0.144 0.000 1.083 78 M CA -0.374 54.868 55.300 -0.096 0.000 0.965 78 M CB 2.638 35.196 32.600 -0.069 0.000 1.717 78 M HN -0.080 nan 8.290 nan 0.000 0.479 79 R N 3.431 123.848 120.500 -0.137 0.000 2.500 79 R HA 0.498 4.897 4.340 0.098 0.000 0.299 79 R C -2.093 174.094 176.300 -0.188 0.000 1.038 79 R CA -0.244 55.749 56.100 -0.178 0.000 0.903 79 R CB 1.241 31.433 30.300 -0.179 0.000 1.177 79 R HN 0.832 nan 8.270 nan 0.000 0.455 80 D N 2.154 122.424 120.400 -0.218 0.000 2.623 80 D HA 0.180 4.879 4.640 0.098 0.000 0.241 80 D C -1.087 175.057 176.300 -0.262 0.000 1.241 80 D CA -0.410 53.459 54.000 -0.219 0.000 0.788 80 D CB 1.117 41.874 40.800 -0.072 0.000 1.413 80 D HN 0.239 nan 8.370 nan 0.000 0.429 81 Y N 0.376 120.657 120.300 -0.031 0.000 2.457 81 Y HA 0.354 4.963 4.550 0.098 0.000 0.341 81 Y C 1.184 177.061 175.900 -0.038 0.000 1.240 81 Y CA 0.287 58.370 58.100 -0.029 0.000 1.437 81 Y CB 0.793 39.242 38.460 -0.018 0.000 1.328 81 Y HN 0.029 nan 8.280 nan 0.000 0.588 82 S N 0.198 115.963 115.700 0.108 0.000 2.542 82 S HA 0.698 5.227 4.470 0.098 0.000 0.293 82 S C 0.406 175.025 174.600 0.030 0.000 1.089 82 S CA -0.151 58.053 58.200 0.007 0.000 0.961 82 S CB 1.364 64.522 63.200 -0.071 0.000 1.062 82 S HN 0.800 nan 8.310 nan 0.000 0.483 83 A N 2.297 125.124 122.820 0.010 0.000 1.935 83 A HA 0.398 4.777 4.320 0.098 0.000 0.214 83 A C 0.085 177.789 177.584 0.201 0.000 1.178 83 A CA 0.963 53.073 52.037 0.121 0.000 0.640 83 A CB -0.340 18.788 19.000 0.214 0.000 0.825 83 A HN 1.217 nan 8.150 nan 0.000 0.447 84 Y N -3.227 117.085 120.300 0.021 0.000 2.609 84 Y HA 0.697 5.306 4.550 0.098 0.000 0.336 84 Y C -0.592 175.326 175.900 0.030 0.000 1.129 84 Y CA -1.852 56.263 58.100 0.024 0.000 1.040 84 Y CB 0.638 39.098 38.460 -0.001 0.000 1.310 84 Y HN -0.045 nan 8.280 nan 0.000 0.460 85 R N 1.507 122.108 120.500 0.167 0.000 2.401 85 R HA 0.250 4.649 4.340 0.098 0.000 0.299 85 R C 0.163 176.521 176.300 0.096 0.000 1.064 85 R CA -0.415 55.750 56.100 0.107 0.000 1.000 85 R CB 0.759 31.197 30.300 0.230 0.000 0.973 85 R HN 0.761 nan 8.270 nan 0.000 0.438 86 R N 1.525 121.943 120.500 -0.137 0.000 2.246 86 R HA 0.080 4.479 4.340 0.098 0.000 0.199 86 R C -0.074 175.883 176.300 -0.571 0.000 0.984 86 R CA 0.823 56.706 56.100 -0.363 0.000 1.015 86 R CB 0.467 30.386 30.300 -0.636 0.000 0.930 86 R HN 0.440 nan 8.270 nan 0.000 0.475 87 F N -0.295 119.747 119.950 0.154 0.000 2.761 87 F HA 0.225 4.811 4.527 0.098 0.000 0.367 87 F C 0.028 175.933 175.800 0.175 0.000 1.386 87 F CA -1.078 57.036 58.000 0.189 0.000 1.177 87 F CB -0.017 39.087 39.000 0.173 0.000 1.092 87 F HN -0.016 nan 8.300 nan 0.000 0.517 88 H N 0.947 120.138 119.070 0.202 0.000 3.107 88 H HA 0.261 4.876 4.556 0.098 0.000 0.301 88 H C 1.314 176.737 175.328 0.159 0.000 0.981 88 H CA 1.889 58.029 56.048 0.153 0.000 1.443 88 H CB 0.711 30.540 29.762 0.111 0.000 1.479 88 H HN 0.761 nan 8.280 nan 0.000 0.564 89 G N 3.930 112.755 108.800 0.042 0.000 2.175 89 G HA2 -0.236 3.783 3.960 0.098 0.000 0.244 89 G HA3 -0.236 3.783 3.960 0.098 0.000 0.244 89 G C 0.146 175.094 174.900 0.080 0.000 0.982 89 G CA 0.292 45.446 45.100 0.090 0.000 0.641 89 G HN 0.669 nan 8.290 nan 0.000 0.527 90 T N 1.052 115.666 114.554 0.099 0.000 3.155 90 T HA 0.563 4.972 4.350 0.098 0.000 0.384 90 T C 1.649 176.357 174.700 0.013 0.000 1.351 90 T CA 0.514 62.652 62.100 0.063 0.000 1.198 90 T CB 1.014 69.966 68.868 0.141 0.000 1.106 90 T HN 0.766 nan 8.240 nan 0.000 0.564 91 G N 2.713 111.498 108.800 -0.026 0.000 2.514 91 G HA2 -0.030 3.989 3.960 0.098 0.000 0.217 91 G HA3 -0.030 3.989 3.960 0.098 0.000 0.217 91 G C 0.323 175.185 174.900 -0.063 0.000 1.198 91 G CA 1.047 46.119 45.100 -0.046 0.000 0.780 91 G HN 0.526 nan 8.290 nan 0.000 0.565 92 M N -2.160 117.391 119.600 -0.081 0.000 2.471 92 M HA 0.642 5.181 4.480 0.098 0.000 0.284 92 M C -1.386 174.847 176.300 -0.112 0.000 1.203 92 M CA -1.089 54.150 55.300 -0.102 0.000 0.915 92 M CB 2.252 34.797 32.600 -0.091 0.000 1.734 92 M HN 0.234 nan 8.290 nan 0.000 0.485 93 R N 3.368 123.789 120.500 -0.131 0.000 2.560 93 R HA 0.632 5.031 4.340 0.098 0.000 0.267 93 R C -1.985 174.270 176.300 -0.075 0.000 1.150 93 R CA -0.526 55.492 56.100 -0.137 0.000 0.997 93 R CB 1.488 31.619 30.300 -0.282 0.000 1.250 93 R HN 0.903 nan 8.270 nan 0.000 0.433 94 I N 4.352 124.919 120.570 -0.006 0.000 2.440 94 I HA 0.338 4.567 4.170 0.098 0.000 0.294 94 I C -1.174 175.031 176.117 0.148 0.000 0.995 94 I CA -0.823 60.526 61.300 0.081 0.000 1.306 94 I CB 0.959 39.026 38.000 0.111 0.000 1.407 94 I HN 0.594 nan 8.210 nan 0.000 0.501 95 L N 7.102 128.453 121.223 0.214 0.000 2.342 95 L HA 0.352 4.751 4.340 0.098 0.000 0.276 95 L C -0.544 176.540 176.870 0.355 0.000 0.997 95 L CA -0.302 54.719 54.840 0.302 0.000 0.838 95 L CB 1.228 43.409 42.059 0.202 0.000 1.224 95 L HN 0.463 nan 8.230 nan 0.000 0.416 96 D N 3.615 124.253 120.400 0.397 0.000 2.336 96 D HA 0.125 4.824 4.640 0.098 0.000 0.249 96 D C 1.077 177.609 176.300 0.387 0.000 1.213 96 D CA 0.037 54.256 54.000 0.365 0.000 0.870 96 D CB 1.102 42.084 40.800 0.305 0.000 1.076 96 D HN 0.453 nan 8.370 nan 0.000 0.483 97 L N 3.581 124.964 121.223 0.267 0.000 2.275 97 L HA -0.056 4.343 4.340 0.098 0.000 0.215 97 L C 2.302 179.285 176.870 0.187 0.000 1.119 97 L CA 0.555 55.536 54.840 0.235 0.000 0.790 97 L CB -0.126 41.975 42.059 0.070 0.000 0.919 97 L HN 0.251 nan 8.230 nan 0.000 0.443 98 R N -0.137 120.419 120.500 0.092 0.000 2.189 98 R HA -0.066 4.333 4.340 0.098 0.000 0.218 98 R C 1.630 177.955 176.300 0.042 0.000 1.074 98 R CA 0.724 56.844 56.100 0.033 0.000 0.991 98 R CB -0.131 30.155 30.300 -0.022 0.000 0.883 98 R HN 0.200 nan 8.270 nan 0.000 0.457 99 L N -0.338 120.918 121.223 0.055 0.000 2.591 99 L HA 0.137 4.536 4.340 0.098 0.000 0.228 99 L C -0.252 176.467 176.870 -0.252 0.000 1.133 99 L CA 0.809 55.588 54.840 -0.102 0.000 0.880 99 L CB 0.107 42.065 42.059 -0.169 0.000 1.033 99 L HN -0.073 nan 8.230 nan 0.000 0.450 100 F N -0.836 119.128 119.950 0.024 0.000 2.508 100 F HA 0.348 4.934 4.527 0.098 0.000 0.325 100 F C 1.082 176.887 175.800 0.009 0.000 1.090 100 F CA -0.903 57.112 58.000 0.025 0.000 0.945 100 F CB 1.224 40.246 39.000 0.036 0.000 1.156 100 F HN -0.183 nan 8.300 nan 0.000 0.463 101 E N 0.249 120.575 120.200 0.211 0.000 2.421 101 E HA 0.019 4.428 4.350 0.098 0.000 0.253 101 E C -0.067 176.605 176.600 0.121 0.000 1.277 101 E CA -0.087 56.388 56.400 0.125 0.000 0.968 101 E CB 0.904 30.660 29.700 0.093 0.000 1.040 101 E HN 0.540 nan 8.360 nan 0.000 0.512 102 T N 0.831 115.423 114.554 0.064 0.000 2.928 102 T HA -0.064 4.345 4.350 0.098 0.000 0.305 102 T C 0.276 174.998 174.700 0.037 0.000 1.035 102 T CA 0.375 62.495 62.100 0.034 0.000 1.145 102 T CB 0.005 68.882 68.868 0.015 0.000 0.963 102 T HN 0.427 nan 8.240 nan 0.000 0.545 103 D N 2.085 122.491 120.400 0.009 0.000 2.614 103 D HA -0.190 4.509 4.640 0.098 0.000 0.182 103 D C 1.443 177.746 176.300 0.005 0.000 1.067 103 D CA 1.931 55.931 54.000 0.001 0.000 1.053 103 D CB -1.405 39.407 40.800 0.019 0.000 1.117 103 D HN 0.774 nan 8.370 nan 0.000 0.438 104 G N 0.611 109.445 108.800 0.057 0.000 2.440 104 G HA2 -0.065 3.954 3.960 0.098 0.000 0.218 104 G HA3 -0.065 3.954 3.960 0.098 0.000 0.218 104 G C 1.746 176.585 174.900 -0.102 0.000 1.154 104 G CA 2.309 47.491 45.100 0.136 0.000 0.767 104 G HN 0.602 nan 8.290 nan 0.000 0.552 105 A N 0.292 122.843 122.820 -0.447 0.000 1.902 105 A HA 0.057 4.436 4.320 0.098 0.000 0.217 105 A C 2.358 179.701 177.584 -0.402 0.000 1.181 105 A CA 1.615 53.086 52.037 -0.943 0.000 0.623 105 A CB -0.480 18.085 19.000 -0.724 0.000 0.818 105 A HN 0.359 nan 8.150 nan 0.000 0.443 106 L N -0.158 120.935 121.223 -0.216 0.000 2.083 106 L HA -0.125 4.274 4.340 0.098 0.000 0.209 106 L C 2.180 179.037 176.870 -0.021 0.000 1.083 106 L CA 2.211 56.989 54.840 -0.105 0.000 0.752 106 L CB -0.546 41.462 42.059 -0.085 0.000 0.899 106 L HN 0.508 nan 8.230 nan 0.000 0.433 107 E N -1.193 118.996 120.200 -0.017 0.000 2.208 107 E HA -0.220 4.189 4.350 0.098 0.000 0.193 107 E C 1.980 178.595 176.600 0.026 0.000 0.988 107 E CA 0.873 57.289 56.400 0.026 0.000 0.828 107 E CB 0.112 29.843 29.700 0.052 0.000 0.763 107 E HN 0.555 nan 8.360 nan 0.000 0.478 108 E N 0.611 120.824 120.200 0.022 0.000 2.046 108 E HA -0.180 4.228 4.350 0.098 0.000 0.190 108 E C 1.882 178.452 176.600 -0.049 0.000 0.982 108 E CA 0.838 57.309 56.400 0.118 0.000 0.800 108 E CB 0.079 29.924 29.700 0.242 0.000 0.756 108 E HN 0.076 nan 8.360 nan 0.000 0.449 109 I N 1.029 121.496 120.570 -0.173 0.000 2.113 109 I HA -0.299 3.930 4.170 0.098 0.000 0.242 109 I C 2.404 178.173 176.117 -0.579 0.000 1.057 109 I CA 1.205 62.215 61.300 -0.484 0.000 1.314 109 I CB -1.165 36.787 38.000 -0.081 0.000 1.022 109 I HN 0.319 nan 8.210 nan 0.000 0.408 110 L N 0.293 121.393 121.223 -0.205 0.000 2.362 110 L HA -0.102 4.297 4.340 0.098 0.000 0.219 110 L C 2.538 179.328 176.870 -0.134 0.000 1.134 110 L CA 1.501 56.267 54.840 -0.122 0.000 0.807 110 L CB -0.706 41.342 42.059 -0.018 0.000 0.927 110 L HN 0.179 nan 8.230 nan 0.000 0.447 111 R N -1.730 118.693 120.500 -0.128 0.000 2.173 111 R HA 0.006 4.404 4.340 0.098 0.000 0.208 111 R C 1.728 178.083 176.300 0.092 0.000 1.035 111 R CA 1.098 57.203 56.100 0.009 0.000 1.004 111 R CB -0.023 30.334 30.300 0.096 0.000 0.917 111 R HN 0.506 nan 8.270 nan 0.000 0.462 112 F N -0.481 119.551 119.950 0.137 0.000 2.720 112 F HA 0.323 4.909 4.527 0.098 0.000 0.301 112 F C 0.747 176.659 175.800 0.187 0.000 1.103 112 F CA -0.915 57.177 58.000 0.153 0.000 1.291 112 F CB -0.106 38.992 39.000 0.164 0.000 1.086 112 F HN -0.269 nan 8.300 nan 0.000 0.592 113 S N 1.300 116.928 115.700 -0.119 0.000 2.603 113 S HA 0.583 5.112 4.470 0.098 0.000 0.268 113 S C 0.173 174.753 174.600 -0.032 0.000 1.317 113 S CA 0.138 58.300 58.200 -0.063 0.000 1.012 113 S CB 1.193 64.213 63.200 -0.299 0.000 0.926 113 S HN 0.454 nan 8.310 nan 0.000 0.539 121 V N 1.565 121.306 119.914 -0.289 0.000 3.649 121 V HA 0.140 4.319 4.120 0.098 0.000 0.275 121 V C 0.747 176.867 176.094 0.043 0.000 1.281 121 V CA 0.728 62.992 62.300 -0.060 0.000 1.143 121 V CB -0.351 31.495 31.823 0.039 0.000 0.892 121 V HN 0.191 nan 8.190 nan 0.000 0.441 122 N N 0.346 119.039 118.700 -0.011 0.000 2.280 122 N HA 0.094 4.893 4.740 0.098 0.000 0.192 122 N C 0.244 175.784 175.510 0.050 0.000 1.109 122 N CA 0.088 53.153 53.050 0.025 0.000 0.855 122 N CB 0.303 38.792 38.487 0.003 0.000 0.974 122 N HN 0.460 nan 8.380 nan 0.000 0.482 123 D N 0.822 121.265 120.400 0.071 0.000 2.210 123 D HA 0.137 4.835 4.640 0.098 0.000 0.249 123 D C 0.794 177.176 176.300 0.137 0.000 1.078 123 D CA -0.321 53.735 54.000 0.094 0.000 0.875 123 D CB 1.981 42.835 40.800 0.090 0.000 1.175 123 D HN -0.087 nan 8.370 nan 0.000 0.440 124 R N 3.200 123.755 120.500 0.092 0.000 2.115 124 R HA -0.044 4.355 4.340 0.098 0.000 0.226 124 R C 2.086 178.450 176.300 0.106 0.000 1.100 124 R CA 0.612 56.765 56.100 0.088 0.000 0.980 124 R CB 0.049 30.381 30.300 0.054 0.000 0.875 124 R HN 0.555 nan 8.270 nan 0.000 0.445 125 M N -0.348 119.315 119.600 0.106 0.000 2.132 125 M HA -0.166 4.372 4.480 0.098 0.000 0.263 125 M C 1.726 178.139 176.300 0.189 0.000 1.065 125 M CA 1.590 56.970 55.300 0.134 0.000 1.122 125 M CB -0.152 32.506 32.600 0.097 0.000 1.365 125 M HN 0.152 nan 8.290 nan 0.000 0.411 126 F N 0.881 120.860 119.950 0.049 0.000 2.186 126 F HA -0.122 4.464 4.527 0.098 0.000 0.299 126 F C 2.295 178.119 175.800 0.041 0.000 1.090 126 F CA 1.568 59.593 58.000 0.042 0.000 1.307 126 F CB -0.229 38.778 39.000 0.011 0.000 1.019 126 F HN 0.049 nan 8.300 nan 0.000 0.489 127 R N -0.002 120.579 120.500 0.134 0.000 2.092 127 R HA -0.100 4.299 4.340 0.098 0.000 0.231 127 R C 2.253 178.540 176.300 -0.021 0.000 1.119 127 R CA 1.508 57.633 56.100 0.042 0.000 0.970 127 R CB -0.505 29.860 30.300 0.108 0.000 0.864 127 R HN 0.368 nan 8.270 nan 0.000 0.440 128 L N 0.485 121.735 121.223 0.045 0.000 2.056 128 L HA -0.165 4.234 4.340 0.098 0.000 0.207 128 L C 2.357 179.194 176.870 -0.055 0.000 1.078 128 L CA 0.982 55.879 54.840 0.095 0.000 0.749 128 L CB -0.347 41.861 42.059 0.248 0.000 0.901 128 L HN 0.194 nan 8.230 nan 0.000 0.433 129 L N -0.911 120.248 121.223 -0.107 0.000 1.990 129 L HA -0.286 4.113 4.340 0.098 0.000 0.213 129 L C 2.778 179.437 176.870 -0.350 0.000 1.072 129 L CA 1.469 56.119 54.840 -0.315 0.000 0.755 129 L CB -0.522 41.421 42.059 -0.193 0.000 0.889 129 L HN 0.201 nan 8.230 nan 0.000 0.432 130 S N -0.457 115.015 115.700 -0.381 0.000 2.365 130 S HA -0.275 4.254 4.470 0.098 0.000 0.225 130 S C 2.099 176.578 174.600 -0.201 0.000 1.039 130 S CA 1.439 59.450 58.200 -0.315 0.000 1.033 130 S CB -0.400 62.609 63.200 -0.320 0.000 0.887 130 S HN 0.542 nan 8.310 nan 0.000 0.447 131 A N 0.328 123.062 122.820 -0.144 0.000 1.933 131 A HA -0.091 4.288 4.320 0.098 0.000 0.218 131 A C 1.913 179.439 177.584 -0.096 0.000 1.175 131 A CA 1.482 53.473 52.037 -0.077 0.000 0.628 131 A CB -0.761 18.244 19.000 0.007 0.000 0.814 131 A HN 0.535 nan 8.150 nan 0.000 0.444 132 F N 0.320 120.059 119.950 -0.351 0.000 2.206 132 F HA -0.038 4.548 4.527 0.098 0.000 0.298 132 F C 1.865 177.487 175.800 -0.297 0.000 1.090 132 F CA 1.402 59.157 58.000 -0.407 0.000 1.323 132 F CB -0.128 38.288 39.000 -0.974 0.000 1.028 132 F HN 0.163 nan 8.300 nan 0.000 0.492 133 I N -0.090 120.314 120.570 -0.276 0.000 2.353 133 I HA -0.217 4.012 4.170 0.098 0.000 0.248 133 I C 2.597 178.559 176.117 -0.258 0.000 1.119 133 I CA 1.103 62.242 61.300 -0.269 0.000 1.417 133 I CB -0.775 37.115 38.000 -0.183 0.000 1.078 133 I HN 0.195 nan 8.210 nan 0.000 0.421 134 A N -0.614 122.079 122.820 -0.212 0.000 1.897 134 A HA -0.144 4.234 4.320 0.098 0.000 0.215 134 A C 0.967 178.443 177.584 -0.180 0.000 1.181 134 A CA 1.583 53.523 52.037 -0.163 0.000 0.620 134 A CB -0.044 18.884 19.000 -0.120 0.000 0.821 134 A HN 0.383 nan 8.150 nan 0.000 0.443 135 D N -2.382 117.892 120.400 -0.209 0.000 2.823 135 D HA 0.358 5.057 4.640 0.098 0.000 0.255 135 D C 0.816 176.975 176.300 -0.235 0.000 1.257 135 D CA 0.447 54.328 54.000 -0.199 0.000 0.803 135 D CB 0.108 40.826 40.800 -0.137 0.000 1.384 135 D HN 0.059 nan 8.370 nan 0.000 0.541 136 G N 0.220 108.774 108.800 -0.410 0.000 2.430 136 G HA2 -0.005 4.014 3.960 0.098 0.000 0.216 136 G HA3 -0.005 4.014 3.960 0.098 0.000 0.216 136 G C 1.304 176.093 174.900 -0.186 0.000 1.146 136 G CA 0.457 45.249 45.100 -0.514 0.000 0.793 136 G HN 0.436 nan 8.290 nan 0.000 0.537 137 G N -0.142 108.547 108.800 -0.186 0.000 2.956 137 G HA2 0.034 4.053 3.960 0.098 0.000 0.207 137 G HA3 0.034 4.053 3.960 0.098 0.000 0.207 137 G C 1.442 176.292 174.900 -0.082 0.000 1.162 137 G CA 0.259 45.300 45.100 -0.099 0.000 0.796 137 G HN 0.396 nan 8.290 nan 0.000 0.527 138 R N -0.519 119.915 120.500 -0.111 0.000 2.061 138 R HA -0.049 4.350 4.340 0.098 0.000 0.230 138 R C 0.690 176.827 176.300 -0.271 0.000 1.140 138 R CA 0.931 56.887 56.100 -0.240 0.000 0.940 138 R CB -0.159 29.932 30.300 -0.348 0.000 0.839 138 R HN 0.380 nan 8.270 nan 0.000 0.429 139 Y N -0.357 120.008 120.300 0.109 0.000 2.645 139 Y HA 0.186 4.794 4.550 0.097 0.000 0.307 139 Y C 0.096 176.112 175.900 0.193 0.000 1.151 139 Y CA -0.867 57.340 58.100 0.178 0.000 1.291 139 Y CB -0.162 38.457 38.460 0.264 0.000 1.135 139 Y HN 0.113 nan 8.280 nan 0.000 0.523 140 C N 1.843 121.249 119.300 0.177 0.000 2.629 140 C HA 0.315 4.834 4.460 0.098 0.000 0.410 140 C C 0.551 175.503 174.990 -0.064 0.000 1.339 140 C CA -1.090 57.988 59.018 0.099 0.000 1.810 140 C CB -1.236 26.534 27.740 0.049 0.000 2.549 140 C HN 0.396 nan 8.230 nan 0.000 0.589 141 L N 10.013 131.109 121.223 -0.212 0.000 2.369 141 L HA 0.379 4.778 4.340 0.098 0.000 0.279 141 L C -1.891 174.849 176.870 -0.217 0.000 1.108 141 L CA -0.904 53.672 54.840 -0.441 0.000 0.852 141 L CB 0.397 41.981 42.059 -0.792 0.000 1.169 141 L HN 0.564 nan 8.230 nan 0.000 0.452 142 P HA 0.060 nan 4.420 nan 0.000 0.270 142 P C 0.218 177.484 177.300 -0.058 0.000 1.223 142 P CA -0.221 62.825 63.100 -0.090 0.000 0.785 142 P CB 0.537 32.192 31.700 -0.075 0.000 0.923 143 E N 2.549 122.736 120.200 -0.021 0.000 2.077 143 E HA -0.136 4.273 4.350 0.098 0.000 0.193 143 E C -0.699 175.920 176.600 0.031 0.000 0.989 143 E CA 1.864 58.267 56.400 0.005 0.000 0.800 143 E CB -2.114 27.591 29.700 0.008 0.000 0.746 143 E HN 0.522 nan 8.360 nan 0.000 0.452 144 P HA -0.105 nan 4.420 nan 0.000 0.220 144 P C 1.222 178.686 177.300 0.275 0.000 1.148 144 P CA 1.015 64.175 63.100 0.099 0.000 0.803 144 P CB -0.019 31.743 31.700 0.103 0.000 0.782 145 L N -0.774 120.552 121.223 0.172 0.000 2.728 145 L HA 0.134 4.533 4.340 0.098 0.000 0.235 145 L C 0.844 177.763 176.870 0.082 0.000 1.197 145 L CA -0.232 54.694 54.840 0.144 0.000 0.992 145 L CB -0.290 41.689 42.059 -0.132 0.000 1.263 145 L HN -0.070 nan 8.230 nan 0.000 0.484 146 Q N 0.477 120.369 119.800 0.153 0.000 2.332 146 Q HA 0.092 4.491 4.340 0.098 0.000 0.263 146 Q C -1.504 174.674 176.000 0.297 0.000 0.979 146 Q CA -1.504 54.386 55.803 0.144 0.000 0.885 146 Q CB 0.952 29.757 28.738 0.112 0.000 1.218 146 Q HN -0.016 nan 8.270 nan 0.000 0.405 147 P HA -0.158 nan 4.420 nan 0.000 0.218 147 P C 1.232 178.694 177.300 0.271 0.000 1.149 147 P CA 1.444 64.713 63.100 0.281 0.000 0.817 147 P CB 0.209 32.022 31.700 0.189 0.000 0.785 148 S N -0.838 114.979 115.700 0.196 0.000 2.474 148 S HA -0.064 4.465 4.470 0.098 0.000 0.235 148 S C 1.599 176.265 174.600 0.110 0.000 0.997 148 S CA 0.592 58.876 58.200 0.140 0.000 0.949 148 S CB -0.759 62.510 63.200 0.116 0.000 0.766 148 S HN 0.112 nan 8.310 nan 0.000 0.517 149 R N -0.171 120.402 120.500 0.121 0.000 2.586 149 R HA 0.331 4.730 4.340 0.098 0.000 0.306 149 R C -1.348 174.792 176.300 -0.265 0.000 1.079 149 R CA -0.227 55.836 56.100 -0.061 0.000 1.083 149 R CB 0.183 30.416 30.300 -0.112 0.000 1.306 149 R HN 0.437 nan 8.270 nan 0.000 0.567 150 W N 0.113 121.471 121.300 0.096 0.000 3.033 150 W HA 0.437 5.157 4.660 0.100 0.000 0.336 150 W C -0.707 175.844 176.519 0.053 0.000 1.173 150 W CA -1.037 56.371 57.345 0.105 0.000 1.185 150 W CB 1.554 31.136 29.460 0.203 0.000 1.425 150 W HN -0.184 nan 8.180 nan 0.000 0.536 151 M N 3.416 123.194 119.600 0.296 0.000 2.224 151 M HA 0.488 5.027 4.480 0.098 0.000 0.281 151 M C -1.571 174.800 176.300 0.119 0.000 1.025 151 M CA -0.466 54.924 55.300 0.149 0.000 0.954 151 M CB 1.295 33.947 32.600 0.086 0.000 1.639 151 M HN 0.214 nan 8.290 nan 0.000 0.461 152 M N 5.183 124.810 119.600 0.044 0.000 2.200 152 M HA 0.396 4.935 4.480 0.098 0.000 0.355 152 M C -0.972 175.337 176.300 0.015 0.000 1.283 152 M CA 0.715 56.008 55.300 -0.012 0.000 1.124 152 M CB 0.416 32.959 32.600 -0.094 0.000 1.625 152 M HN 0.752 nan 8.290 nan 0.000 0.463 153 M N 4.403 124.027 119.600 0.039 0.000 2.259 153 M HA 0.398 4.937 4.480 0.098 0.000 0.304 153 M C -2.194 174.130 176.300 0.039 0.000 1.019 153 M CA -1.579 53.754 55.300 0.055 0.000 0.922 153 M CB 2.352 35.012 32.600 0.100 0.000 1.600 153 M HN 0.331 nan 8.290 nan 0.000 0.433 159 A N 2.099 124.924 122.820 0.008 0.000 2.386 159 A HA 0.777 5.156 4.320 0.098 0.000 0.248 159 A C 0.640 178.227 177.584 0.005 0.000 1.082 159 A CA -0.179 51.862 52.037 0.007 0.000 0.789 159 A CB 0.229 19.230 19.000 0.003 0.000 1.025 159 A HN 1.377 nan 8.150 nan 0.000 0.490 160 A N 3.144 125.966 122.820 0.003 0.000 2.664 160 A HA 0.634 5.013 4.320 0.098 0.000 0.338 160 A C -2.613 174.973 177.584 0.004 0.000 1.280 160 A CA -1.377 50.662 52.037 0.003 0.000 0.809 160 A CB -0.291 18.711 19.000 0.003 0.000 1.114 160 A HN 0.603 nan 8.150 nan 0.000 0.479 161 P HA 0.374 nan 4.420 nan 0.000 0.275 161 P C -0.584 176.731 177.300 0.024 0.000 1.228 161 P CA -0.049 63.059 63.100 0.014 0.000 0.786 161 P CB 0.651 32.359 31.700 0.012 0.000 0.927 162 Q N 1.108 120.928 119.800 0.034 0.000 2.327 162 Q HA 0.224 4.622 4.340 0.098 0.000 0.265 162 Q C -1.604 174.440 176.000 0.073 0.000 0.993 162 Q CA -0.695 55.136 55.803 0.047 0.000 0.885 162 Q CB 1.441 30.193 28.738 0.024 0.000 1.379 162 Q HN 0.583 nan 8.270 nan 0.000 0.408 163 H N 3.881 122.953 119.070 0.004 0.000 2.620 163 H HA 0.432 5.047 4.556 0.098 0.000 0.313 163 H C -1.202 174.132 175.328 0.011 0.000 1.075 163 H CA -0.053 55.997 56.048 0.003 0.000 1.397 163 H CB 0.534 30.294 29.762 -0.003 0.000 1.446 163 H HN 0.468 nan 8.280 nan 0.000 0.493 164 L N 8.908 129.817 121.223 -0.523 0.000 2.265 164 L HA 0.385 4.784 4.340 0.098 0.000 0.289 164 L C -2.072 174.464 176.870 -0.557 0.000 1.033 164 L CA -1.980 52.637 54.840 -0.371 0.000 0.814 164 L CB 1.344 43.307 42.059 -0.159 0.000 1.203 164 L HN 0.634 nan 8.230 nan 0.000 0.423 165 P HA 0.211 nan 4.420 nan 0.000 0.281 165 P C 0.430 177.713 177.300 -0.029 0.000 1.281 165 P CA -0.190 62.864 63.100 -0.077 0.000 0.811 165 P CB 1.018 32.758 31.700 0.067 0.000 1.154 166 G N -0.397 108.413 108.800 0.017 0.000 2.295 166 G HA2 -0.231 3.788 3.960 0.098 0.000 0.287 166 G HA3 -0.231 3.788 3.960 0.098 0.000 0.287 166 G C -0.265 174.651 174.900 0.026 0.000 1.055 166 G CA 0.039 45.158 45.100 0.033 0.000 0.922 166 G HN 0.659 nan 8.290 nan 0.000 0.503 167 Q N -1.073 118.701 119.800 -0.043 0.000 2.271 167 Q HA 0.321 4.719 4.340 0.098 0.000 0.268 167 Q C -1.698 174.182 176.000 -0.199 0.000 1.021 167 Q CA -1.753 53.947 55.803 -0.171 0.000 0.802 167 Q CB 2.654 31.270 28.738 -0.204 0.000 1.282 167 Q HN 0.182 nan 8.270 nan 0.000 0.431 168 P HA -0.035 nan 4.420 nan 0.000 0.229 168 P C 0.277 177.519 177.300 -0.097 0.000 1.160 168 P CA 0.561 63.594 63.100 -0.112 0.000 0.777 168 P CB 0.194 31.889 31.700 -0.009 0.000 0.814 169 C N -1.605 117.521 119.300 -0.291 0.000 3.321 169 C HA 0.769 5.288 4.460 0.098 0.000 0.329 169 C C -1.197 173.639 174.990 -0.256 0.000 1.394 169 C CA -0.823 58.052 59.018 -0.239 0.000 1.291 169 C CB 1.992 29.582 27.740 -0.249 0.000 1.606 169 C HN 0.347 nan 8.230 nan 0.000 0.463 170 Q N 0.495 120.156 119.800 -0.232 0.000 2.615 170 Q HA 0.830 5.229 4.340 0.098 0.000 0.298 170 Q C -1.922 173.940 176.000 -0.229 0.000 1.023 170 Q CA -0.526 55.221 55.803 -0.092 0.000 0.768 170 Q CB 2.082 30.784 28.738 -0.060 0.000 1.500 170 Q HN 0.702 nan 8.270 nan 0.000 0.441 171 F N -0.063 119.875 119.950 -0.020 0.000 2.565 171 F HA 0.743 5.329 4.527 0.098 0.000 0.313 171 F C -0.336 175.471 175.800 0.011 0.000 1.091 171 F CA -0.684 57.317 58.000 0.001 0.000 0.915 171 F CB 2.398 41.400 39.000 0.002 0.000 1.208 171 F HN 0.804 nan 8.300 nan 0.000 0.453 172 A N 3.108 126.036 122.820 0.182 0.000 2.282 172 A HA 0.891 5.270 4.320 0.098 0.000 0.319 172 A C -1.232 176.459 177.584 0.179 0.000 1.121 172 A CA -0.579 51.542 52.037 0.141 0.000 0.836 172 A CB 0.807 19.868 19.000 0.102 0.000 1.146 172 A HN 0.765 nan 8.150 nan 0.000 0.494 173 L N 0.921 122.228 121.223 0.139 0.000 2.362 173 L HA 0.504 4.903 4.340 0.098 0.000 0.275 173 L C -0.077 176.931 176.870 0.230 0.000 0.998 173 L CA -0.227 54.717 54.840 0.173 0.000 0.820 173 L CB 1.901 43.998 42.059 0.063 0.000 1.270 173 L HN 0.862 nan 8.230 nan 0.000 0.415 174 Q N 2.216 122.177 119.800 0.268 0.000 2.333 174 Q HA 0.693 5.092 4.340 0.098 0.000 0.267 174 Q C -0.783 175.352 176.000 0.225 0.000 1.012 174 Q CA -0.735 55.214 55.803 0.242 0.000 0.824 174 Q CB 2.250 31.107 28.738 0.199 0.000 1.290 174 Q HN 0.753 nan 8.270 nan 0.000 0.449 175 A N 4.174 127.069 122.820 0.124 0.000 2.401 175 A HA 0.377 4.756 4.320 0.098 0.000 0.259 175 A C -0.535 176.967 177.584 -0.136 0.000 1.103 175 A CA -0.269 51.642 52.037 -0.210 0.000 0.789 175 A CB 0.090 18.920 19.000 -0.283 0.000 1.035 175 A HN 0.727 nan 8.150 nan 0.000 0.491 176 I N 2.867 123.321 120.570 -0.194 0.000 2.331 176 I HA 0.362 4.591 4.170 0.098 0.000 0.292 176 I C 0.281 176.312 176.117 -0.144 0.000 0.998 176 I CA 0.013 61.243 61.300 -0.116 0.000 1.267 176 I CB 1.577 39.536 38.000 -0.069 0.000 1.386 176 I HN 0.514 nan 8.210 nan 0.000 0.476 177 V N 2.431 122.268 119.914 -0.127 0.000 2.815 177 V HA 0.616 4.795 4.120 0.098 0.000 0.314 177 V C -0.356 175.762 176.094 0.039 0.000 1.064 177 V CA -0.682 61.587 62.300 -0.052 0.000 0.952 177 V CB 1.844 33.563 31.823 -0.173 0.000 1.020 177 V HN 0.805 nan 8.190 nan 0.000 0.439 178 E N 3.497 123.786 120.200 0.149 0.000 2.376 178 E HA 0.429 4.838 4.350 0.098 0.000 0.236 178 E C -2.158 174.546 176.600 0.174 0.000 0.962 178 E CA -1.990 54.503 56.400 0.154 0.000 0.768 178 E CB 1.845 31.593 29.700 0.080 0.000 1.236 178 E HN 0.626 nan 8.360 nan 0.000 0.431 179 P HA -0.149 nan 4.420 nan 0.000 0.221 179 P C 0.900 178.258 177.300 0.096 0.000 1.145 179 P CA 1.001 64.229 63.100 0.213 0.000 0.795 179 P CB 0.266 32.050 31.700 0.140 0.000 0.775 180 A N -0.311 122.609 122.820 0.167 0.000 2.015 180 A HA -0.140 4.239 4.320 0.098 0.000 0.219 180 A C 1.895 179.495 177.584 0.026 0.000 1.163 180 A CA 1.488 53.604 52.037 0.131 0.000 0.646 180 A CB -0.732 18.358 19.000 0.149 0.000 0.806 180 A HN 0.171 nan 8.150 nan 0.000 0.448 181 K N -0.898 119.482 120.400 -0.034 0.000 2.414 181 K HA 0.160 4.539 4.320 0.098 0.000 0.204 181 K C -0.479 175.972 176.600 -0.248 0.000 1.026 181 K CA -0.224 56.007 56.287 -0.093 0.000 1.108 181 K CB 0.366 32.840 32.500 -0.043 0.000 0.855 181 K HN 0.315 nan 8.250 nan 0.000 0.517 182 K N 1.304 121.418 120.400 -0.476 0.000 3.078 182 K HA -0.251 4.128 4.320 0.098 0.000 0.261 182 K C -0.343 175.745 176.600 -0.854 0.000 0.947 182 K CA 0.689 56.248 56.287 -1.212 0.000 0.702 182 K CB -1.155 30.706 32.500 -1.065 0.000 1.318 182 K HN 0.282 nan 8.250 nan 0.000 0.473 183 R N 0.630 120.950 120.500 -0.300 0.000 2.534 183 R HA 0.310 4.709 4.340 0.098 0.000 0.301 183 R C -0.512 175.924 176.300 0.226 0.000 0.961 183 R CA -0.668 55.450 56.100 0.031 0.000 0.871 183 R CB 1.533 31.840 30.300 0.012 0.000 1.170 183 R HN -0.021 nan 8.270 nan 0.000 0.446 184 V N 3.674 123.720 119.914 0.220 0.000 2.479 184 V HA 0.002 4.180 4.120 0.098 0.000 0.281 184 V C 1.290 177.420 176.094 0.059 0.000 1.031 184 V CA 0.354 62.672 62.300 0.031 0.000 1.038 184 V CB 1.222 32.910 31.823 -0.225 0.000 0.981 184 V HN 0.957 nan 8.190 nan 0.000 0.478 185 S N 3.421 119.109 115.700 -0.020 0.000 2.356 185 S HA 0.062 4.591 4.470 0.098 0.000 0.219 185 S C 0.810 175.419 174.600 0.015 0.000 1.036 185 S CA 0.812 59.024 58.200 0.019 0.000 0.965 185 S CB 0.172 63.366 63.200 -0.009 0.000 0.864 185 S HN 1.068 nan 8.310 nan 0.000 0.471 186 S N -1.083 114.540 115.700 -0.128 0.000 2.615 186 S HA 0.673 5.202 4.470 0.098 0.000 0.269 186 S C -1.502 172.916 174.600 -0.303 0.000 1.161 186 S CA -0.934 57.216 58.200 -0.084 0.000 0.817 186 S CB 0.733 63.951 63.200 0.031 0.000 1.131 186 S HN 0.177 nan 8.310 nan 0.000 0.467 187 F N 0.942 120.925 119.950 0.056 0.000 2.495 187 F HA 0.581 5.167 4.527 0.098 0.000 0.327 187 F C 0.508 176.345 175.800 0.063 0.000 1.103 187 F CA -0.502 57.526 58.000 0.045 0.000 0.949 187 F CB 1.858 40.875 39.000 0.028 0.000 1.142 187 F HN 0.761 nan 8.300 nan 0.000 0.457 188 E N 1.976 122.322 120.200 0.243 0.000 2.174 188 E HA 0.620 5.029 4.350 0.098 0.000 0.282 188 E C -0.988 175.736 176.600 0.207 0.000 0.992 188 E CA -0.773 55.741 56.400 0.191 0.000 0.803 188 E CB 1.275 31.065 29.700 0.151 0.000 1.090 188 E HN 0.728 nan 8.360 nan 0.000 0.396 189 A N 5.510 128.436 122.820 0.176 0.000 2.320 189 A HA 0.423 4.802 4.320 0.098 0.000 0.287 189 A C -0.693 177.110 177.584 0.365 0.000 1.181 189 A CA -0.356 51.812 52.037 0.217 0.000 0.831 189 A CB 0.126 19.113 19.000 -0.020 0.000 1.102 189 A HN 0.644 nan 8.150 nan 0.000 0.513 190 L N 3.818 125.286 121.223 0.408 0.000 2.343 190 L HA 0.424 4.823 4.340 0.098 0.000 0.278 190 L C -0.004 176.926 176.870 0.100 0.000 0.996 190 L CA -0.452 54.554 54.840 0.276 0.000 0.831 190 L CB 1.657 43.824 42.059 0.179 0.000 1.232 190 L HN 0.736 nan 8.230 nan 0.000 0.413 191 I N 4.149 124.642 120.570 -0.127 0.000 2.710 191 I HA 0.095 4.324 4.170 0.098 0.000 0.286 191 I C -0.216 175.681 176.117 -0.367 0.000 1.181 191 I CA 0.190 61.060 61.300 -0.717 0.000 1.430 191 I CB -0.013 37.663 38.000 -0.541 0.000 1.367 191 I HN 0.619 nan 8.210 nan 0.000 0.577 192 R N 5.169 125.414 120.500 -0.425 0.000 2.807 192 R HA 0.349 4.747 4.340 0.098 0.000 0.276 192 R C -0.398 175.782 176.300 -0.200 0.000 0.979 192 R CA -0.688 55.288 56.100 -0.208 0.000 0.928 192 R CB 1.785 32.014 30.300 -0.119 0.000 1.191 192 R HN 0.780 nan 8.270 nan 0.000 0.471 193 S N 1.230 116.854 115.700 -0.127 0.000 2.587 193 S HA 0.090 4.619 4.470 0.098 0.000 0.260 193 S C -1.586 172.970 174.600 -0.073 0.000 1.353 193 S CA -0.693 57.443 58.200 -0.108 0.000 0.995 193 S CB 0.527 63.678 63.200 -0.082 0.000 0.912 193 S HN 0.308 nan 8.310 nan 0.000 0.568 194 P HA -0.050 nan 4.420 nan 0.000 0.218 194 P C 1.201 178.542 177.300 0.068 0.000 1.148 194 P CA 1.708 64.811 63.100 0.005 0.000 0.822 194 P CB -0.325 31.372 31.700 -0.005 0.000 0.784 195 T N -4.724 109.835 114.554 0.008 0.000 3.273 195 T HA 0.442 4.851 4.350 0.098 0.000 0.254 195 T C 1.228 175.923 174.700 -0.008 0.000 1.002 195 T CA 0.111 62.206 62.100 -0.009 0.000 0.913 195 T CB -1.182 67.664 68.868 -0.036 0.000 1.056 195 T HN 0.255 nan 8.240 nan 0.000 0.576 196 G N -0.040 108.766 108.800 0.009 0.000 2.148 196 G HA2 -0.104 3.915 3.960 0.098 0.000 0.254 196 G HA3 -0.104 3.915 3.960 0.098 0.000 0.254 196 G C 0.493 175.383 174.900 -0.016 0.000 0.981 196 G CA -0.186 44.916 45.100 0.004 0.000 0.670 196 G HN 1.072 nan 8.290 nan 0.000 0.528 197 G N -0.147 108.636 108.800 -0.028 0.000 2.557 197 G HA2 0.695 4.714 3.960 0.098 0.000 0.292 197 G HA3 0.695 4.714 3.960 0.098 0.000 0.292 197 G C 0.739 175.623 174.900 -0.027 0.000 1.237 197 G CA 0.774 45.858 45.100 -0.026 0.000 0.978 197 G HN 1.605 nan 8.290 nan 0.000 0.498 198 S N -0.133 115.561 115.700 -0.010 0.000 2.589 198 S HA 0.210 4.739 4.470 0.098 0.000 0.265 198 S C -1.436 173.171 174.600 0.011 0.000 1.342 198 S CA -0.584 57.621 58.200 0.009 0.000 1.005 198 S CB 1.508 64.724 63.200 0.025 0.000 0.909 198 S HN 0.224 nan 8.310 nan 0.000 0.555 199 P HA -0.129 nan 4.420 nan 0.000 0.216 199 P C 1.611 179.027 177.300 0.195 0.000 1.154 199 P CA 0.866 64.039 63.100 0.121 0.000 0.865 199 P CB -0.167 31.627 31.700 0.156 0.000 0.789 200 V N -0.060 119.927 119.914 0.122 0.000 2.295 200 V HA -0.257 3.922 4.120 0.098 0.000 0.246 200 V C 2.492 178.626 176.094 0.066 0.000 1.049 200 V CA 2.017 64.377 62.300 0.101 0.000 1.024 200 V CB -1.095 30.756 31.823 0.048 0.000 0.648 200 V HN 0.217 nan 8.190 nan 0.000 0.447 201 E N -0.596 119.618 120.200 0.023 0.000 2.110 201 E HA -0.303 4.106 4.350 0.098 0.000 0.193 201 E C 2.122 178.688 176.600 -0.057 0.000 0.988 201 E CA 1.809 58.198 56.400 -0.017 0.000 0.804 201 E CB -0.099 29.586 29.700 -0.026 0.000 0.745 201 E HN 0.529 nan 8.360 nan 0.000 0.458 202 M N -0.391 119.163 119.600 -0.076 0.000 2.077 202 M HA -0.086 4.453 4.480 0.098 0.000 0.261 202 M C 1.531 177.654 176.300 -0.295 0.000 1.070 202 M CA 1.614 56.791 55.300 -0.205 0.000 1.125 202 M CB -0.297 32.147 32.600 -0.261 0.000 1.339 202 M HN 0.114 nan 8.290 nan 0.000 0.409 203 F N 0.095 119.973 119.950 -0.120 0.000 2.407 203 F HA 0.104 4.690 4.527 0.098 0.000 0.299 203 F C 2.337 178.037 175.800 -0.166 0.000 1.097 203 F CA 1.040 58.949 58.000 -0.152 0.000 1.422 203 F CB -0.948 38.004 39.000 -0.080 0.000 1.067 203 F HN 0.272 nan 8.300 nan 0.000 0.539 204 A N -0.175 122.661 122.820 0.027 0.000 1.969 204 A HA -0.004 4.375 4.320 0.098 0.000 0.218 204 A C 2.371 179.908 177.584 -0.078 0.000 1.169 204 A CA 1.486 53.510 52.037 -0.022 0.000 0.635 204 A CB -1.033 17.956 19.000 -0.019 0.000 0.810 204 A HN 0.271 nan 8.150 nan 0.000 0.445 205 A N -0.613 122.127 122.820 -0.133 0.000 2.014 205 A HA 0.229 4.607 4.320 0.098 0.000 0.218 205 A C 0.872 178.330 177.584 -0.209 0.000 1.163 205 A CA 0.394 52.333 52.037 -0.162 0.000 0.652 205 A CB -0.232 18.659 19.000 -0.182 0.000 0.808 205 A HN 0.344 nan 8.150 nan 0.000 0.449 206 I N 0.790 121.184 120.570 -0.294 0.000 2.474 206 I HA 0.308 4.537 4.170 0.098 0.000 0.287 206 I C 0.999 177.019 176.117 -0.162 0.000 1.048 206 I CA -0.895 60.210 61.300 -0.326 0.000 1.383 206 I CB 0.120 37.780 38.000 -0.566 0.000 1.412 206 I HN 0.242 nan 8.210 nan 0.000 0.531 207 A N 4.988 127.736 122.820 -0.121 0.000 2.540 207 A HA 0.314 4.693 4.320 0.098 0.000 0.239 207 A C 1.491 179.041 177.584 -0.057 0.000 1.061 207 A CA 0.457 52.452 52.037 -0.070 0.000 0.758 207 A CB 0.122 19.094 19.000 -0.047 0.000 0.991 207 A HN 0.991 nan 8.150 nan 0.000 0.502 208 A N 1.825 124.615 122.820 -0.051 0.000 1.927 208 A HA -0.202 4.177 4.320 0.098 0.000 0.220 208 A C 1.881 179.422 177.584 -0.071 0.000 1.185 208 A CA 1.938 53.937 52.037 -0.063 0.000 0.639 208 A CB -0.448 18.519 19.000 -0.055 0.000 0.820 208 A HN 0.965 nan 8.150 nan 0.000 0.451 209 E N -0.327 119.854 120.200 -0.032 0.000 2.427 209 E HA -0.123 4.286 4.350 0.098 0.000 0.196 209 E C -0.136 176.479 176.600 0.025 0.000 1.028 209 E CA 1.085 57.485 56.400 -0.000 0.000 0.864 209 E CB -0.305 29.410 29.700 0.025 0.000 0.813 209 E HN 0.585 nan 8.360 nan 0.000 0.514 210 D N 0.866 121.271 120.400 0.007 0.000 2.363 210 D HA 0.122 4.821 4.640 0.098 0.000 0.214 210 D C 1.515 177.846 176.300 0.053 0.000 1.093 210 D CA -0.146 53.874 54.000 0.034 0.000 0.837 210 D CB 0.144 40.960 40.800 0.027 0.000 0.948 210 D HN 0.165 nan 8.370 nan 0.000 0.507 211 R N -0.197 120.307 120.500 0.008 0.000 2.090 211 R HA -0.083 4.316 4.340 0.098 0.000 0.228 211 R C 1.613 177.998 176.300 0.141 0.000 1.110 211 R CA 0.919 57.080 56.100 0.101 0.000 0.973 211 R CB -0.070 30.197 30.300 -0.055 0.000 0.869 211 R HN 0.158 nan 8.270 nan 0.000 0.440 212 Y N 0.632 120.962 120.300 0.050 0.000 2.145 212 Y HA -0.166 4.444 4.550 0.101 0.000 0.286 212 Y C 2.497 178.275 175.900 -0.203 0.000 1.145 212 Y CA 1.048 59.127 58.100 -0.036 0.000 1.148 212 Y CB -0.543 37.904 38.460 -0.020 0.000 0.981 212 Y HN -0.003 nan 8.280 nan 0.000 0.507 213 R N -0.319 120.021 120.500 -0.268 0.000 2.080 213 R HA -0.240 4.159 4.340 0.098 0.000 0.236 213 R C 2.311 178.510 176.300 -0.169 0.000 1.137 213 R CA 1.972 57.703 56.100 -0.615 0.000 0.943 213 R CB -0.972 29.019 30.300 -0.515 0.000 0.846 213 R HN 0.353 nan 8.270 nan 0.000 0.431 214 F N 1.909 121.798 119.950 -0.102 0.000 2.161 214 F HA -0.244 4.342 4.527 0.098 0.000 0.300 214 F C 2.039 177.860 175.800 0.035 0.000 1.089 214 F CA 2.137 60.113 58.000 -0.040 0.000 1.282 214 F CB -0.324 38.640 39.000 -0.060 0.000 1.010 214 F HN 0.187 nan 8.300 nan 0.000 0.485 215 D N 0.222 120.791 120.400 0.282 0.000 2.117 215 D HA -0.208 4.491 4.640 0.098 0.000 0.197 215 D C 2.103 178.468 176.300 0.109 0.000 0.987 215 D CA 1.397 55.587 54.000 0.317 0.000 0.829 215 D CB -0.324 40.729 40.800 0.422 0.000 0.961 215 D HN 0.325 nan 8.370 nan 0.000 0.460 216 L N 0.632 121.864 121.223 0.015 0.000 2.027 216 L HA -0.054 4.345 4.340 0.098 0.000 0.206 216 L C 2.104 178.921 176.870 -0.088 0.000 1.074 216 L CA 1.599 56.423 54.840 -0.027 0.000 0.745 216 L CB -0.598 41.380 42.059 -0.136 0.000 0.898 216 L HN -0.079 nan 8.230 nan 0.000 0.433 217 E N -0.025 120.036 120.200 -0.231 0.000 2.058 217 E HA -0.212 4.197 4.350 0.098 0.000 0.194 217 E C 2.345 178.985 176.600 0.067 0.000 0.997 217 E CA 1.606 57.908 56.400 -0.163 0.000 0.801 217 E CB -0.599 28.999 29.700 -0.171 0.000 0.746 217 E HN 0.714 nan 8.360 nan 0.000 0.450 218 S N 0.830 116.444 115.700 -0.144 0.000 2.440 218 S HA -0.106 4.423 4.470 0.098 0.000 0.238 218 S C 1.650 176.373 174.600 0.205 0.000 1.010 218 S CA 0.774 58.965 58.200 -0.016 0.000 0.972 218 S CB -0.056 62.962 63.200 -0.303 0.000 0.774 218 S HN -0.001 nan 8.310 nan 0.000 0.501 219 K N 2.075 122.509 120.400 0.057 0.000 2.280 219 K HA 0.191 4.570 4.320 0.098 0.000 0.202 219 K C 2.238 178.482 176.600 -0.592 0.000 1.047 219 K CA 1.147 57.231 56.287 -0.339 0.000 0.942 219 K CB -1.239 31.097 32.500 -0.273 0.000 0.739 219 K HN 0.557 nan 8.250 nan 0.000 0.457 220 A N -0.115 122.643 122.820 -0.103 0.000 2.019 220 A HA -0.148 4.231 4.320 0.098 0.000 0.219 220 A C 1.736 179.164 177.584 -0.259 0.000 1.164 220 A CA 1.096 53.044 52.037 -0.149 0.000 0.644 220 A CB -0.527 18.448 19.000 -0.042 0.000 0.805 220 A HN 0.307 nan 8.150 nan 0.000 0.449 221 Y N -0.853 119.380 120.300 -0.112 0.000 2.475 221 Y HA 0.195 4.804 4.550 0.098 0.000 0.289 221 Y C 2.666 178.441 175.900 -0.208 0.000 1.121 221 Y CA 0.478 58.543 58.100 -0.058 0.000 1.257 221 Y CB -0.122 38.391 38.460 0.089 0.000 1.026 221 Y HN 0.319 nan 8.280 nan 0.000 0.555 222 A N -0.231 122.294 122.820 -0.491 0.000 1.898 222 A HA -0.068 4.311 4.320 0.098 0.000 0.214 222 A C 1.715 179.104 177.584 -0.324 0.000 1.183 222 A CA 1.051 52.632 52.037 -0.760 0.000 0.622 222 A CB -0.918 17.214 19.000 -1.447 0.000 0.824 222 A HN 0.333 nan 8.150 nan 0.000 0.444 223 F N 0.548 120.355 119.950 -0.238 0.000 2.102 223 F HA -0.098 4.487 4.527 0.096 0.000 0.298 223 F C 2.840 178.553 175.800 -0.145 0.000 1.105 223 F CA 0.434 58.327 58.000 -0.178 0.000 1.239 223 F CB -1.208 37.673 39.000 -0.198 0.000 0.991 223 F HN 0.263 nan 8.300 nan 0.000 0.474 224 A N -0.086 122.757 122.820 0.039 0.000 1.908 224 A HA -0.181 4.198 4.320 0.098 0.000 0.218 224 A C 2.194 179.776 177.584 -0.002 0.000 1.181 224 A CA 1.640 53.672 52.037 -0.007 0.000 0.627 224 A CB -1.141 17.833 19.000 -0.044 0.000 0.818 224 A HN 0.342 nan 8.150 nan 0.000 0.445 225 L N -0.477 120.741 121.223 -0.008 0.000 2.093 225 L HA -0.002 4.397 4.340 0.098 0.000 0.208 225 L C 2.616 179.465 176.870 -0.034 0.000 1.085 225 L CA 2.045 56.876 54.840 -0.015 0.000 0.755 225 L CB -0.703 41.349 42.059 -0.013 0.000 0.904 225 L HN 0.331 nan 8.230 nan 0.000 0.435 226 A N -0.743 122.066 122.820 -0.019 0.000 1.929 226 A HA 0.018 4.397 4.320 0.098 0.000 0.216 226 A C 2.318 179.898 177.584 -0.006 0.000 1.176 226 A CA 1.233 53.265 52.037 -0.009 0.000 0.628 226 A CB -1.422 17.609 19.000 0.051 0.000 0.816 226 A HN 0.493 nan 8.150 nan 0.000 0.444 227 G N 0.102 108.900 108.800 -0.002 0.000 2.422 227 G HA2 -0.205 3.814 3.960 0.098 0.000 0.218 227 G HA3 -0.205 3.814 3.960 0.098 0.000 0.218 227 G C 1.474 176.364 174.900 -0.016 0.000 1.146 227 G CA 0.993 46.084 45.100 -0.014 0.000 0.769 227 G HN 0.773 nan 8.290 nan 0.000 0.547 228 Q N -0.375 119.414 119.800 -0.018 0.000 2.280 228 Q HA 0.346 4.745 4.340 0.098 0.000 0.202 228 Q C 1.766 177.752 176.000 -0.023 0.000 0.903 228 Q CA -0.198 55.595 55.803 -0.017 0.000 0.948 228 Q CB 0.096 28.826 28.738 -0.013 0.000 1.058 228 Q HN 0.331 nan 8.270 nan 0.000 0.493 229 L N 1.899 123.102 121.223 -0.032 0.000 2.127 229 L HA 0.105 4.504 4.340 0.098 0.000 0.203 229 L C -0.769 176.086 176.870 -0.025 0.000 1.080 229 L CA 0.956 55.764 54.840 -0.054 0.000 0.768 229 L CB -0.288 41.707 42.059 -0.106 0.000 0.924 229 L HN 0.298 nan 8.230 nan 0.000 0.444 230 P HA 0.242 nan 4.420 nan 0.000 0.262 230 P C 0.716 178.037 177.300 0.036 0.000 1.651 230 P CA -0.151 62.953 63.100 0.008 0.000 1.119 230 P CB 0.944 32.650 31.700 0.011 0.000 1.552 231 L N -1.297 119.961 121.223 0.059 0.000 3.153 231 L HA -0.380 4.018 4.340 0.098 0.000 0.369 231 L C 1.398 178.424 176.870 0.261 0.000 3.110 231 L CA 3.074 58.007 54.840 0.155 0.000 2.423 231 L CB -1.923 40.200 42.059 0.107 0.000 2.474 231 L HN 0.472 nan 8.230 nan 0.000 0.797 232 G N -1.259 107.613 108.800 0.120 0.000 2.687 232 G HA2 -0.459 3.560 3.960 0.098 0.000 0.303 232 G HA3 -0.459 3.560 3.960 0.098 0.000 0.303 232 G C 0.665 175.562 174.900 -0.005 0.000 1.209 232 G CA 0.581 45.715 45.100 0.055 0.000 0.968 232 G HN 0.688 nan 8.290 nan 0.000 0.549 233 K N 1.240 121.558 120.400 -0.136 0.000 2.387 233 K HA 0.300 4.679 4.320 0.098 0.000 0.203 233 K C 0.162 176.632 176.600 -0.217 0.000 1.030 233 K CA -0.015 56.160 56.287 -0.186 0.000 1.099 233 K CB 0.578 32.950 32.500 -0.212 0.000 0.863 233 K HN 0.681 nan 8.250 nan 0.000 0.529 234 H N 1.154 120.283 119.070 0.098 0.000 2.511 234 H HA 0.161 4.775 4.556 0.098 0.000 0.346 234 H C -0.039 175.358 175.328 0.115 0.000 1.128 234 H CA -0.357 55.763 56.048 0.119 0.000 1.342 234 H CB 0.726 30.622 29.762 0.224 0.000 1.470 234 H HN -0.052 nan 8.280 nan 0.000 0.546 235 Q N 0.983 120.907 119.800 0.207 0.000 2.394 235 Q HA 0.227 4.626 4.340 0.098 0.000 0.248 235 Q C -0.796 175.323 176.000 0.199 0.000 0.992 235 Q CA -0.638 55.255 55.803 0.150 0.000 0.888 235 Q CB 1.241 30.039 28.738 0.099 0.000 1.257 235 Q HN 0.317 nan 8.270 nan 0.000 0.462 236 L N 1.210 122.533 121.223 0.167 0.000 2.322 236 L HA 0.631 5.030 4.340 0.098 0.000 0.281 236 L C -1.319 175.645 176.870 0.157 0.000 1.014 236 L CA -0.174 54.776 54.840 0.184 0.000 0.815 236 L CB 1.474 43.644 42.059 0.184 0.000 1.247 236 L HN 0.670 nan 8.230 nan 0.000 0.421 237 A N 5.434 128.344 122.820 0.150 0.000 2.317 237 A HA 0.813 5.192 4.320 0.098 0.000 0.327 237 A C -1.071 176.583 177.584 0.118 0.000 1.178 237 A CA -0.404 51.710 52.037 0.128 0.000 0.817 237 A CB 0.826 19.895 19.000 0.116 0.000 1.189 237 A HN 0.638 nan 8.150 nan 0.000 0.489 238 I N 1.929 122.568 120.570 0.115 0.000 2.534 238 I HA 0.225 4.454 4.170 0.098 0.000 0.288 238 I C -0.874 175.315 176.117 0.120 0.000 1.077 238 I CA -0.243 61.113 61.300 0.094 0.000 1.051 238 I CB 2.084 40.117 38.000 0.054 0.000 1.234 238 I HN 0.668 nan 8.210 nan 0.000 0.425 239 N N 8.151 126.937 118.700 0.143 0.000 2.408 239 N HA 0.439 5.238 4.740 0.098 0.000 0.257 239 N C -1.160 174.437 175.510 0.146 0.000 1.064 239 N CA -0.198 52.937 53.050 0.143 0.000 0.952 239 N CB 1.308 39.886 38.487 0.152 0.000 1.093 239 N HN 0.386 nan 8.380 nan 0.000 0.490 240 L N 2.804 124.100 121.223 0.121 0.000 2.386 240 L HA 0.466 4.865 4.340 0.098 0.000 0.271 240 L C 0.047 176.959 176.870 0.069 0.000 0.993 240 L CA -0.860 54.045 54.840 0.108 0.000 0.819 240 L CB 2.131 44.251 42.059 0.101 0.000 1.294 240 L HN 0.252 nan 8.230 nan 0.000 0.414 241 L N 4.095 125.352 121.223 0.057 0.000 2.456 241 L HA 0.126 4.525 4.340 0.098 0.000 0.272 241 L C -1.377 175.437 176.870 -0.093 0.000 1.189 241 L CA -1.462 53.391 54.840 0.022 0.000 0.846 241 L CB 0.351 42.483 42.059 0.120 0.000 1.111 241 L HN 0.396 nan 8.230 nan 0.000 0.475 242 P HA -0.165 nan 4.420 nan 0.000 0.216 242 P C 1.451 178.149 177.300 -1.002 0.000 1.150 242 P CA 1.388 64.237 63.100 -0.418 0.000 0.843 242 P CB 0.171 31.742 31.700 -0.214 0.000 0.787 243 G N -0.765 107.595 108.800 -0.733 0.000 2.432 243 G HA2 -0.220 3.799 3.960 0.098 0.000 0.219 243 G HA3 -0.220 3.799 3.960 0.098 0.000 0.219 243 G C 1.523 175.852 174.900 -0.950 0.000 1.135 243 G CA 0.869 45.299 45.100 -1.116 0.000 0.767 243 G HN 0.240 nan 8.290 nan 0.000 0.550 244 S N 0.408 115.817 115.700 -0.484 0.000 2.428 244 S HA 0.056 4.585 4.470 0.098 0.000 0.230 244 S C 2.108 176.627 174.600 -0.135 0.000 1.014 244 S CA 0.456 58.579 58.200 -0.129 0.000 0.957 244 S CB -0.096 63.137 63.200 0.055 0.000 0.784 244 S HN 0.296 nan 8.310 nan 0.000 0.499 245 L N -0.050 121.005 121.223 -0.280 0.000 2.313 245 L HA 0.036 4.434 4.340 0.098 0.000 0.214 245 L C 1.262 178.086 176.870 -0.076 0.000 1.119 245 L CA 0.756 55.490 54.840 -0.177 0.000 0.809 245 L CB -0.299 41.633 42.059 -0.211 0.000 0.933 245 L HN 0.329 nan 8.230 nan 0.000 0.449 246 Y N -2.673 117.601 120.300 -0.044 0.000 2.466 246 Y HA 0.021 4.626 4.550 0.091 0.000 0.272 246 Y C 2.293 178.159 175.900 -0.058 0.000 1.169 246 Y CA -0.488 57.580 58.100 -0.054 0.000 1.285 246 Y CB -1.172 37.233 38.460 -0.091 0.000 1.078 246 Y HN 0.207 nan 8.280 nan 0.000 0.523 247 H N 0.237 119.268 119.070 -0.065 0.000 2.253 247 H HA -0.100 4.514 4.556 0.097 0.000 0.299 247 H C -0.013 175.201 175.328 -0.190 0.000 1.064 247 H CA 1.671 57.619 56.048 -0.167 0.000 1.264 247 H CB -0.005 29.591 29.762 -0.277 0.000 1.371 247 H HN 0.161 nan 8.280 nan 0.000 0.493 248 H N -0.150 118.915 119.070 -0.008 0.000 2.481 248 H HA 0.113 4.727 4.556 0.097 0.000 0.339 248 H C -1.366 173.970 175.328 0.014 0.000 1.131 248 H CA -2.224 53.794 56.048 -0.051 0.000 1.301 248 H CB 1.114 30.880 29.762 0.006 0.000 1.476 248 H HN 0.294 nan 8.280 nan 0.000 0.529 249 P HA -0.138 nan 4.420 nan 0.000 0.215 249 P C 0.540 177.904 177.300 0.107 0.000 1.153 249 P CA 1.452 64.608 63.100 0.093 0.000 0.853 249 P CB 0.272 32.006 31.700 0.058 0.000 0.788 250 D N -1.453 119.023 120.400 0.126 0.000 2.895 250 D HA 0.225 4.924 4.640 0.098 0.000 0.258 250 D C 1.109 177.528 176.300 0.198 0.000 1.311 250 D CA -0.474 53.602 54.000 0.127 0.000 0.843 250 D CB -0.343 40.513 40.800 0.094 0.000 1.055 250 D HN 0.008 nan 8.370 nan 0.000 0.486 251 A N 0.073 123.026 122.820 0.220 0.000 1.933 251 A HA -0.105 4.274 4.320 0.098 0.000 0.218 251 A C 2.172 179.933 177.584 0.296 0.000 1.175 251 A CA 1.127 53.329 52.037 0.275 0.000 0.628 251 A CB -0.533 18.590 19.000 0.204 0.000 0.814 251 A HN 0.257 nan 8.150 nan 0.000 0.444 252 V N -0.238 119.789 119.914 0.190 0.000 2.358 252 V HA -0.154 4.025 4.120 0.098 0.000 0.246 252 V C 2.788 178.963 176.094 0.135 0.000 1.047 252 V CA 1.909 64.296 62.300 0.144 0.000 1.035 252 V CB -1.278 30.588 31.823 0.072 0.000 0.658 252 V HN 0.612 nan 8.190 nan 0.000 0.452 253 G N -1.597 107.283 108.800 0.134 0.000 2.432 253 G HA2 -0.312 3.706 3.960 0.098 0.000 0.219 253 G HA3 -0.312 3.706 3.960 0.098 0.000 0.219 253 G C 1.373 176.348 174.900 0.126 0.000 1.135 253 G CA 0.675 45.834 45.100 0.098 0.000 0.767 253 G HN 0.656 nan 8.290 nan 0.000 0.550 254 W N 1.066 122.390 121.300 0.040 0.000 2.409 254 W HA 0.092 4.809 4.660 0.095 0.000 0.299 254 W C 2.244 178.806 176.519 0.072 0.000 1.203 254 W CA 0.885 58.260 57.345 0.050 0.000 1.298 254 W CB -0.252 29.255 29.460 0.078 0.000 1.127 254 W HN 0.104 nan 8.180 nan 0.000 0.528 255 L N 0.126 121.470 121.223 0.202 0.000 1.990 255 L HA -0.361 4.038 4.340 0.098 0.000 0.213 255 L C 2.706 179.445 176.870 -0.217 0.000 1.072 255 L CA 1.619 56.477 54.840 0.029 0.000 0.755 255 L CB -1.017 41.189 42.059 0.246 0.000 0.889 255 L HN 0.054 nan 8.230 nan 0.000 0.432 256 M N -0.457 119.060 119.600 -0.138 0.000 2.110 256 M HA -0.276 4.263 4.480 0.098 0.000 0.257 256 M C 2.033 178.177 176.300 -0.259 0.000 1.071 256 M CA 1.943 57.131 55.300 -0.187 0.000 1.096 256 M CB -1.279 31.263 32.600 -0.097 0.000 1.300 256 M HN 0.231 nan 8.290 nan 0.000 0.411 257 D N -0.295 119.960 120.400 -0.242 0.000 2.123 257 D HA -0.128 4.571 4.640 0.098 0.000 0.196 257 D C 2.150 178.235 176.300 -0.358 0.000 0.992 257 D CA 1.601 55.449 54.000 -0.255 0.000 0.833 257 D CB -0.322 40.359 40.800 -0.198 0.000 0.954 257 D HN 0.306 nan 8.370 nan 0.000 0.455 258 S N -0.155 115.210 115.700 -0.559 0.000 2.368 258 S HA -0.129 4.400 4.470 0.098 0.000 0.225 258 S C 2.015 176.366 174.600 -0.415 0.000 1.030 258 S CA 1.212 59.086 58.200 -0.544 0.000 0.999 258 S CB -0.182 62.500 63.200 -0.865 0.000 0.844 258 S HN 0.298 nan 8.310 nan 0.000 0.459 259 L N 0.092 120.916 121.223 -0.665 0.000 2.156 259 L HA 0.253 4.652 4.340 0.098 0.000 0.208 259 L C 2.144 178.736 176.870 -0.464 0.000 1.095 259 L CA 1.373 55.668 54.840 -0.910 0.000 0.770 259 L CB -0.790 40.436 42.059 -1.388 0.000 0.914 259 L HN 0.229 nan 8.230 nan 0.000 0.439 260 L N 0.476 121.490 121.223 -0.348 0.000 2.093 260 L HA -0.051 4.348 4.340 0.098 0.000 0.208 260 L C 2.897 179.659 176.870 -0.180 0.000 1.085 260 L CA 1.057 55.762 54.840 -0.226 0.000 0.755 260 L CB -0.724 41.225 42.059 -0.183 0.000 0.904 260 L HN 0.448 nan 8.230 nan 0.000 0.435 261 A N -0.258 122.448 122.820 -0.189 0.000 2.067 261 A HA -0.034 4.345 4.320 0.098 0.000 0.219 261 A C 2.284 179.794 177.584 -0.123 0.000 1.158 261 A CA 1.400 53.352 52.037 -0.142 0.000 0.661 261 A CB -0.452 18.462 19.000 -0.145 0.000 0.801 261 A HN 0.383 nan 8.150 nan 0.000 0.452 262 A N -1.726 121.007 122.820 -0.144 0.000 2.251 262 A HA 0.427 4.806 4.320 0.098 0.000 0.209 262 A C 1.662 179.190 177.584 -0.095 0.000 1.187 262 A CA 1.069 53.045 52.037 -0.101 0.000 0.823 262 A CB -0.786 18.171 19.000 -0.072 0.000 0.846 262 A HN 1.816 nan 8.150 nan 0.000 0.486 263 G N -0.893 107.839 108.800 -0.114 0.000 2.149 263 G HA2 -0.193 3.826 3.960 0.098 0.000 0.235 263 G HA3 -0.193 3.826 3.960 0.098 0.000 0.235 263 G C -0.045 174.796 174.900 -0.097 0.000 1.018 263 G CA 0.385 45.430 45.100 -0.092 0.000 0.728 263 G HN 0.453 nan 8.290 nan 0.000 0.508 264 L N -0.464 120.672 121.223 -0.146 0.000 2.358 264 L HA 0.767 5.166 4.340 0.098 0.000 0.268 264 L C 0.786 177.563 176.870 -0.156 0.000 1.032 264 L CA -1.400 53.352 54.840 -0.147 0.000 0.805 264 L CB 0.907 42.842 42.059 -0.207 0.000 1.253 264 L HN -0.039 nan 8.230 nan 0.000 0.452 265 R N 0.937 121.366 120.500 -0.119 0.000 2.598 265 R HA 0.323 4.722 4.340 0.098 0.000 0.279 265 R C -1.879 174.349 176.300 -0.120 0.000 0.984 265 R CA -2.228 53.808 56.100 -0.106 0.000 0.999 265 R CB 0.848 31.108 30.300 -0.067 0.000 1.114 265 R HN 0.252 nan 8.270 nan 0.000 0.493 266 P HA -0.117 nan 4.420 nan 0.000 0.216 266 P C 0.422 177.689 177.300 -0.055 0.000 1.153 266 P CA 1.166 64.207 63.100 -0.098 0.000 0.844 266 P CB 0.140 31.793 31.700 -0.078 0.000 0.787 267 D N -0.542 119.834 120.400 -0.040 0.000 2.378 267 D HA -0.184 4.515 4.640 0.098 0.000 0.222 267 D C 1.709 178.005 176.300 -0.007 0.000 0.980 267 D CA 0.654 54.643 54.000 -0.018 0.000 0.907 267 D CB -0.534 40.255 40.800 -0.017 0.000 0.899 267 D HN 0.314 nan 8.370 nan 0.000 0.527 268 Q N 0.232 120.022 119.800 -0.016 0.000 2.384 268 Q HA 0.102 4.501 4.340 0.098 0.000 0.207 268 Q C -0.118 175.900 176.000 0.030 0.000 0.904 268 Q CA 0.055 55.862 55.803 0.007 0.000 0.933 268 Q CB 0.828 29.562 28.738 -0.008 0.000 1.077 268 Q HN 0.040 nan 8.270 nan 0.000 0.522 269 V N 1.841 121.762 119.914 0.011 0.000 2.427 269 V HA 0.373 4.552 4.120 0.098 0.000 0.286 269 V C -0.510 175.631 176.094 0.078 0.000 1.034 269 V CA -0.582 61.752 62.300 0.058 0.000 0.893 269 V CB 1.514 33.342 31.823 0.008 0.000 0.982 269 V HN 0.211 nan 8.190 nan 0.000 0.452 270 L N 5.757 127.046 121.223 0.111 0.000 2.385 270 L HA 0.653 5.052 4.340 0.098 0.000 0.273 270 L C -0.998 175.946 176.870 0.123 0.000 0.990 270 L CA -0.471 54.430 54.840 0.103 0.000 0.821 270 L CB 1.562 43.675 42.059 0.090 0.000 1.279 270 L HN 0.437 nan 8.230 nan 0.000 0.412 271 I N 3.755 124.398 120.570 0.122 0.000 2.336 271 I HA 0.333 4.562 4.170 0.098 0.000 0.292 271 I C -0.151 176.049 176.117 0.137 0.000 0.991 271 I CA -0.284 61.096 61.300 0.133 0.000 1.227 271 I CB 1.328 39.407 38.000 0.132 0.000 1.366 271 I HN 0.682 nan 8.210 nan 0.000 0.466 272 E N 5.693 125.972 120.200 0.130 0.000 2.109 272 E HA 0.430 4.839 4.350 0.098 0.000 0.278 272 E C -0.673 176.002 176.600 0.124 0.000 0.954 272 E CA -0.518 55.957 56.400 0.125 0.000 0.779 272 E CB 2.102 31.869 29.700 0.111 0.000 1.093 272 E HN 0.484 nan 8.360 nan 0.000 0.401 273 V N 0.358 120.352 119.914 0.134 0.000 2.513 273 V HA 0.483 4.662 4.120 0.098 0.000 0.299 273 V C 0.305 176.441 176.094 0.071 0.000 1.035 273 V CA -1.067 61.292 62.300 0.100 0.000 0.889 273 V CB 1.354 33.245 31.823 0.114 0.000 0.988 273 V HN 0.640 nan 8.190 nan 0.000 0.440 274 T N -0.158 114.416 114.554 0.032 0.000 2.901 274 T HA 0.214 4.623 4.350 0.098 0.000 0.301 274 T C 0.895 175.598 174.700 0.006 0.000 1.012 274 T CA 0.318 62.430 62.100 0.020 0.000 1.135 274 T CB 1.331 70.196 68.868 -0.004 0.000 0.936 274 T HN 0.966 nan 8.240 nan 0.000 0.539 275 E N 1.576 121.793 120.200 0.028 0.000 2.130 275 E HA -0.259 4.150 4.350 0.098 0.000 0.196 275 E C 2.113 178.702 176.600 -0.018 0.000 0.998 275 E CA 1.849 58.271 56.400 0.037 0.000 0.806 275 E CB -0.278 29.433 29.700 0.018 0.000 0.738 275 E HN 0.925 nan 8.360 nan 0.000 0.459 276 T N -1.517 113.007 114.554 -0.050 0.000 2.995 276 T HA -0.056 4.353 4.350 0.098 0.000 0.269 276 T C 1.407 176.070 174.700 -0.061 0.000 1.091 276 T CA 0.912 62.980 62.100 -0.053 0.000 1.128 276 T CB 0.045 68.877 68.868 -0.060 0.000 0.891 276 T HN 0.093 nan 8.240 nan 0.000 0.492 277 E N 0.650 120.803 120.200 -0.078 0.000 2.415 277 E HA 0.162 4.571 4.350 0.098 0.000 0.197 277 E C 2.326 178.809 176.600 -0.195 0.000 1.007 277 E CA 0.318 56.659 56.400 -0.098 0.000 0.890 277 E CB 0.103 29.763 29.700 -0.066 0.000 0.891 277 E HN 0.472 nan 8.360 nan 0.000 0.496 278 V N 2.408 122.163 119.914 -0.264 0.000 2.453 278 V HA -0.161 4.018 4.120 0.098 0.000 0.247 278 V C 2.474 178.249 176.094 -0.532 0.000 1.048 278 V CA 1.442 63.441 62.300 -0.501 0.000 1.049 278 V CB -0.734 30.837 31.823 -0.420 0.000 0.672 278 V HN 0.308 nan 8.190 nan 0.000 0.457 279 I N -1.590 118.765 120.570 -0.358 0.000 3.176 279 I HA -0.062 4.166 4.170 0.098 0.000 0.275 279 I C 2.009 177.812 176.117 -0.522 0.000 1.298 279 I CA 1.002 62.012 61.300 -0.482 0.000 1.445 279 I CB -0.891 37.080 38.000 -0.048 0.000 1.075 279 I HN 0.142 nan 8.210 nan 0.000 0.482 280 T N 0.294 114.631 114.554 -0.362 0.000 2.643 280 T HA -0.146 4.263 4.350 0.098 0.000 0.264 280 T C 0.910 175.451 174.700 -0.265 0.000 1.045 280 T CA 1.486 63.453 62.100 -0.222 0.000 1.155 280 T CB -0.353 68.446 68.868 -0.114 0.000 0.863 280 T HN 0.583 nan 8.240 nan 0.000 0.420 281 C N 1.189 120.300 119.300 -0.315 0.000 2.478 281 C HA 0.568 5.087 4.460 0.098 0.000 0.334 281 C C 0.606 175.477 174.990 -0.200 0.000 1.106 281 C CA -1.341 57.550 59.018 -0.211 0.000 1.363 281 C CB -1.430 26.246 27.740 -0.106 0.000 1.941 281 C HN 0.451 nan 8.230 nan 0.000 0.436 282 F N 2.027 122.018 119.950 0.068 0.000 2.615 282 F HA 0.079 4.666 4.527 0.100 0.000 0.297 282 F C 1.636 177.487 175.800 0.085 0.000 1.124 282 F CA 1.040 59.104 58.000 0.108 0.000 1.451 282 F CB -0.146 38.922 39.000 0.114 0.000 1.103 282 F HN 0.546 nan 8.300 nan 0.000 0.569 283 D N -0.138 120.367 120.400 0.175 0.000 2.097 283 D HA -0.163 4.536 4.640 0.098 0.000 0.197 283 D C 1.905 178.211 176.300 0.010 0.000 0.984 283 D CA 1.301 55.349 54.000 0.081 0.000 0.826 283 D CB -0.377 40.442 40.800 0.031 0.000 0.973 283 D HN 0.315 nan 8.370 nan 0.000 0.460 284 Q N -1.067 118.686 119.800 -0.078 0.000 2.302 284 Q HA 0.102 4.501 4.340 0.098 0.000 0.202 284 Q C 1.557 177.502 176.000 -0.093 0.000 0.936 284 Q CA 0.111 55.769 55.803 -0.242 0.000 0.886 284 Q CB 0.037 28.389 28.738 -0.644 0.000 0.986 284 Q HN 0.281 nan 8.270 nan 0.000 0.487 285 F N 2.290 122.213 119.950 -0.045 0.000 2.259 285 F HA -0.117 4.462 4.527 0.086 0.000 0.298 285 F C 2.293 178.105 175.800 0.019 0.000 1.088 285 F CA 1.132 59.203 58.000 0.118 0.000 1.358 285 F CB 0.194 39.231 39.000 0.062 0.000 1.040 285 F HN -0.080 nan 8.300 nan 0.000 0.505 286 R N 0.546 121.064 120.500 0.030 0.000 2.148 286 R HA -0.117 4.282 4.340 0.098 0.000 0.227 286 R C 1.738 177.974 176.300 -0.107 0.000 1.103 286 R CA 1.553 57.617 56.100 -0.060 0.000 0.983 286 R CB -0.673 29.660 30.300 0.055 0.000 0.874 286 R HN 0.234 nan 8.270 nan 0.000 0.451 287 K N 0.842 121.197 120.400 -0.075 0.000 2.097 287 K HA -0.018 4.361 4.320 0.098 0.000 0.205 287 K C 2.059 178.605 176.600 -0.089 0.000 1.050 287 K CA 1.324 57.574 56.287 -0.061 0.000 0.938 287 K CB -0.014 32.464 32.500 -0.037 0.000 0.718 287 K HN -0.020 nan 8.250 nan 0.000 0.442 288 V N 2.000 121.833 119.914 -0.136 0.000 2.379 288 V HA -0.204 3.975 4.120 0.098 0.000 0.245 288 V C 2.215 178.136 176.094 -0.289 0.000 1.044 288 V CA 1.311 63.506 62.300 -0.174 0.000 1.036 288 V CB -0.360 31.364 31.823 -0.166 0.000 0.664 288 V HN 0.286 nan 8.190 nan 0.000 0.453 289 L N 0.337 121.267 121.223 -0.488 0.000 2.013 289 L HA -0.264 4.135 4.340 0.098 0.000 0.212 289 L C 2.553 179.319 176.870 -0.174 0.000 1.073 289 L CA 2.434 57.034 54.840 -0.400 0.000 0.753 289 L CB -0.462 41.327 42.059 -0.451 0.000 0.890 289 L HN 0.249 nan 8.230 nan 0.000 0.432 290 K N -0.436 119.887 120.400 -0.128 0.000 2.063 290 K HA -0.200 4.179 4.320 0.098 0.000 0.208 290 K C 1.975 178.546 176.600 -0.049 0.000 1.048 290 K CA 1.372 57.622 56.287 -0.062 0.000 0.928 290 K CB -0.243 32.232 32.500 -0.043 0.000 0.713 290 K HN 0.532 nan 8.250 nan 0.000 0.442 291 A N 0.972 123.758 122.820 -0.056 0.000 1.930 291 A HA -0.087 4.292 4.320 0.098 0.000 0.217 291 A C 2.055 179.622 177.584 -0.028 0.000 1.175 291 A CA 1.104 53.122 52.037 -0.031 0.000 0.627 291 A CB -0.462 18.527 19.000 -0.018 0.000 0.815 291 A HN 0.300 nan 8.150 nan 0.000 0.443 292 L N -1.154 120.040 121.223 -0.048 0.000 2.093 292 L HA -0.132 4.267 4.340 0.098 0.000 0.208 292 L C 2.853 179.712 176.870 -0.018 0.000 1.085 292 L CA 0.875 55.697 54.840 -0.030 0.000 0.755 292 L CB -0.431 41.602 42.059 -0.044 0.000 0.904 292 L HN 0.270 nan 8.230 nan 0.000 0.435 293 R N -0.288 120.199 120.500 -0.022 0.000 2.075 293 R HA -0.074 4.324 4.340 0.098 0.000 0.232 293 R C 2.236 178.531 176.300 -0.007 0.000 1.126 293 R CA 1.057 57.154 56.100 -0.006 0.000 0.963 293 R CB -0.726 29.574 30.300 -0.001 0.000 0.858 293 R HN 0.228 nan 8.270 nan 0.000 0.435 294 V N 1.184 121.091 119.914 -0.012 0.000 2.427 294 V HA -0.183 3.995 4.120 0.098 0.000 0.248 294 V C 2.484 178.570 176.094 -0.014 0.000 1.051 294 V CA 1.791 64.084 62.300 -0.011 0.000 1.048 294 V CB -0.694 31.123 31.823 -0.011 0.000 0.666 294 V HN 0.316 nan 8.190 nan 0.000 0.456 295 A N -0.813 121.998 122.820 -0.015 0.000 1.969 295 A HA 0.218 4.597 4.320 0.098 0.000 0.218 295 A C 2.114 179.683 177.584 -0.026 0.000 1.169 295 A CA 1.800 53.824 52.037 -0.021 0.000 0.635 295 A CB -0.471 18.517 19.000 -0.020 0.000 0.810 295 A HN 1.204 nan 8.150 nan 0.000 0.445 296 G N -2.823 105.966 108.800 -0.018 0.000 2.192 296 G HA2 -0.170 3.849 3.960 0.098 0.000 0.193 296 G HA3 -0.170 3.849 3.960 0.098 0.000 0.193 296 G C 0.201 175.094 174.900 -0.011 0.000 0.999 296 G CA 0.066 45.157 45.100 -0.016 0.000 0.659 296 G HN 0.327 nan 8.290 nan 0.000 0.503 297 M N 1.205 120.800 119.600 -0.008 0.000 2.238 297 M HA 0.349 4.888 4.480 0.098 0.000 0.347 297 M C 0.739 177.054 176.300 0.026 0.000 1.173 297 M CA 0.443 55.748 55.300 0.008 0.000 1.147 297 M CB 0.712 33.322 32.600 0.017 0.000 1.547 297 M HN 0.035 nan 8.290 nan 0.000 0.455 298 K N 1.922 122.346 120.400 0.040 0.000 2.087 298 K HA 0.584 4.963 4.320 0.098 0.000 0.255 298 K C -1.181 175.466 176.600 0.079 0.000 0.988 298 K CA -0.808 55.511 56.287 0.054 0.000 0.915 298 K CB 1.405 33.934 32.500 0.049 0.000 1.043 298 K HN 0.399 nan 8.250 nan 0.000 0.457 299 L N 1.021 122.303 121.223 0.099 0.000 2.346 299 L HA 0.588 4.987 4.340 0.098 0.000 0.276 299 L C -1.389 175.569 176.870 0.146 0.000 1.006 299 L CA -0.156 54.770 54.840 0.143 0.000 0.817 299 L CB 1.764 43.937 42.059 0.190 0.000 1.272 299 L HN 0.764 nan 8.230 nan 0.000 0.421 300 A N 5.069 127.980 122.820 0.151 0.000 2.365 300 A HA 0.752 5.131 4.320 0.098 0.000 0.318 300 A C -1.126 176.553 177.584 0.158 0.000 1.091 300 A CA -0.600 51.512 52.037 0.125 0.000 0.763 300 A CB 1.034 20.088 19.000 0.090 0.000 1.248 300 A HN 0.526 nan 8.150 nan 0.000 0.442 301 I N 2.626 123.276 120.570 0.133 0.000 2.291 301 I HA 0.181 4.410 4.170 0.098 0.000 0.292 301 I C -0.073 176.125 176.117 0.135 0.000 1.064 301 I CA -0.163 61.232 61.300 0.158 0.000 1.269 301 I CB 0.435 38.536 38.000 0.168 0.000 1.418 301 I HN 0.613 nan 8.210 nan 0.000 0.485 302 D N 5.665 126.139 120.400 0.124 0.000 2.304 302 D HA 0.092 4.791 4.640 0.098 0.000 0.247 302 D C 0.029 176.390 176.300 0.102 0.000 1.089 302 D CA 0.350 54.410 54.000 0.101 0.000 0.910 302 D CB 0.841 41.690 40.800 0.083 0.000 1.199 302 D HN 0.422 nan 8.370 nan 0.000 0.426 303 D N 1.542 121.995 120.400 0.089 0.000 2.723 303 D HA -0.277 4.422 4.640 0.098 0.000 0.236 303 D C -0.338 176.005 176.300 0.072 0.000 1.138 303 D CA 0.383 54.417 54.000 0.057 0.000 0.676 303 D CB -1.851 38.953 40.800 0.006 0.000 1.069 303 D HN 0.281 nan 8.370 nan 0.000 0.430 304 F N 0.507 120.445 119.950 -0.020 0.000 2.538 304 F HA 0.384 4.971 4.527 0.100 0.000 0.371 304 F C 1.750 177.531 175.800 -0.031 0.000 1.087 304 F CA 1.651 59.637 58.000 -0.023 0.000 1.250 304 F CB 0.753 39.745 39.000 -0.012 0.000 1.110 304 F HN 0.226 nan 8.300 nan 0.000 0.570 305 G N 3.132 111.530 108.800 -0.670 0.000 2.213 305 G HA2 -0.274 3.745 3.960 0.098 0.000 0.236 305 G HA3 -0.274 3.745 3.960 0.098 0.000 0.236 305 G C 0.776 175.504 174.900 -0.287 0.000 0.991 305 G CA 0.258 45.090 45.100 -0.448 0.000 0.629 305 G HN 1.219 nan 8.290 nan 0.000 0.517 306 A N 0.633 123.290 122.820 -0.272 0.000 1.843 306 A HA 0.550 4.928 4.320 0.098 0.000 0.213 306 A C 2.318 179.572 177.584 -0.549 0.000 1.239 306 A CA 1.970 53.826 52.037 -0.301 0.000 0.606 306 A CB -0.884 17.988 19.000 -0.214 0.000 0.903 306 A HN 1.654 nan 8.150 nan 0.000 0.455 307 G N -1.918 106.585 108.800 -0.495 0.000 3.397 307 G HA2 0.303 4.322 3.960 0.098 0.000 0.248 307 G HA3 0.303 4.322 3.960 0.098 0.000 0.248 307 G C 0.423 175.064 174.900 -0.432 0.000 1.284 307 G CA 0.536 45.260 45.100 -0.626 0.000 1.570 307 G HN 0.516 nan 8.290 nan 0.000 0.587 308 Y N -1.015 119.222 120.300 -0.106 0.000 2.832 308 Y HA -0.299 4.309 4.550 0.097 0.000 0.490 308 Y C 1.845 177.690 175.900 -0.093 0.000 1.101 308 Y CA 0.830 58.877 58.100 -0.088 0.000 2.919 308 Y CB -1.624 36.807 38.460 -0.048 0.000 0.865 308 Y HN 0.427 nan 8.280 nan 0.000 0.549 309 S N 2.165 117.896 115.700 0.052 0.000 3.517 309 S HA 0.488 5.017 4.470 0.098 0.000 0.284 309 S C 1.015 175.588 174.600 -0.046 0.000 1.260 309 S CA 0.184 58.409 58.200 0.042 0.000 0.975 309 S CB -0.320 62.938 63.200 0.097 0.000 1.540 309 S HN 0.628 nan 8.310 nan 0.000 0.506 310 G N 3.009 111.748 108.800 -0.102 0.000 3.199 310 G HA2 0.169 4.188 3.960 0.098 0.000 0.184 310 G HA3 0.169 4.188 3.960 0.098 0.000 0.184 310 G C 0.809 175.788 174.900 0.132 0.000 1.974 310 G CA -0.256 44.688 45.100 -0.260 0.000 0.885 310 G HN 0.590 nan 8.290 nan 0.000 0.575 311 L N 1.207 122.542 121.223 0.187 0.000 2.478 311 L HA 0.098 4.497 4.340 0.098 0.000 0.223 311 L C 2.855 179.797 176.870 0.121 0.000 1.140 311 L CA 1.327 56.331 54.840 0.273 0.000 0.842 311 L CB 0.052 42.237 42.059 0.210 0.000 0.953 311 L HN 0.441 nan 8.230 nan 0.000 0.452 312 S N -1.214 114.536 115.700 0.083 0.000 2.522 312 S HA -0.129 4.400 4.470 0.098 0.000 0.227 312 S C 1.842 176.449 174.600 0.012 0.000 0.986 312 S CA 0.505 58.728 58.200 0.038 0.000 0.929 312 S CB -0.444 62.777 63.200 0.034 0.000 0.769 312 S HN 0.387 nan 8.310 nan 0.000 0.529 313 L N 1.312 122.560 121.223 0.041 0.000 2.191 313 L HA 0.140 4.539 4.340 0.098 0.000 0.212 313 L C 1.932 178.688 176.870 -0.188 0.000 1.103 313 L CA 1.413 56.247 54.840 -0.010 0.000 0.769 313 L CB -0.497 41.605 42.059 0.071 0.000 0.908 313 L HN 0.358 nan 8.230 nan 0.000 0.438 314 L N -1.456 119.672 121.223 -0.157 0.000 2.362 314 L HA -0.121 4.278 4.340 0.098 0.000 0.219 314 L C 2.126 178.919 176.870 -0.128 0.000 1.134 314 L CA 1.002 55.719 54.840 -0.204 0.000 0.807 314 L CB -1.067 40.910 42.059 -0.137 0.000 0.927 314 L HN 0.215 nan 8.230 nan 0.000 0.447 315 T N -0.688 113.813 114.554 -0.088 0.000 2.867 315 T HA -0.074 4.335 4.350 0.098 0.000 0.268 315 T C 2.023 176.694 174.700 -0.049 0.000 1.057 315 T CA 0.907 62.972 62.100 -0.058 0.000 1.136 315 T CB -0.044 68.793 68.868 -0.052 0.000 0.874 315 T HN 0.299 nan 8.240 nan 0.000 0.466 316 R N 0.725 121.185 120.500 -0.066 0.000 2.080 316 R HA 0.207 4.606 4.340 0.098 0.000 0.222 316 R C 0.583 177.028 176.300 0.242 0.000 1.107 316 R CA 0.666 56.776 56.100 0.016 0.000 0.980 316 R CB -0.450 29.800 30.300 -0.083 0.000 0.879 316 R HN 0.584 nan 8.270 nan 0.000 0.439 317 F N -1.374 118.602 119.950 0.043 0.000 2.719 317 F HA 0.503 5.044 4.527 0.022 0.000 0.309 317 F C -1.969 173.876 175.800 0.075 0.000 1.138 317 F CA -1.657 56.392 58.000 0.082 0.000 0.943 317 F CB 1.085 40.182 39.000 0.161 0.000 1.304 317 F HN -0.325 nan 8.300 nan 0.000 0.445 318 Q N 3.257 123.114 119.800 0.095 0.000 2.333 318 Q HA 0.567 4.966 4.340 0.098 0.000 0.268 318 Q C -2.616 173.463 176.000 0.132 0.000 1.007 318 Q CA -1.803 53.982 55.803 -0.030 0.000 0.810 318 Q CB 1.895 30.624 28.738 -0.015 0.000 1.264 318 Q HN 0.481 nan 8.270 nan 0.000 0.452 319 P HA 0.098 nan 4.420 nan 0.000 0.275 319 P C -0.446 176.895 177.300 0.069 0.000 1.266 319 P CA -0.242 62.956 63.100 0.163 0.000 0.793 319 P CB 1.225 33.000 31.700 0.125 0.000 1.074 320 D N -0.757 119.687 120.400 0.074 0.000 2.183 320 D HA -0.015 4.684 4.640 0.098 0.000 0.205 320 D C 0.651 176.954 176.300 0.006 0.000 0.962 320 D CA 1.394 55.415 54.000 0.035 0.000 0.849 320 D CB 0.591 41.418 40.800 0.044 0.000 0.978 320 D HN 0.345 nan 8.370 nan 0.000 0.488 321 K N 0.421 120.827 120.400 0.011 0.000 2.422 321 K HA 0.510 4.889 4.320 0.098 0.000 0.251 321 K C -1.462 175.111 176.600 -0.046 0.000 0.933 321 K CA -0.519 55.757 56.287 -0.018 0.000 0.798 321 K CB 2.206 34.710 32.500 0.006 0.000 1.238 321 K HN -0.192 nan 8.250 nan 0.000 0.428 322 I N 3.717 124.225 120.570 -0.102 0.000 2.436 322 I HA 0.276 4.505 4.170 0.098 0.000 0.289 322 I C -0.750 175.322 176.117 -0.075 0.000 1.010 322 I CA -0.835 60.370 61.300 -0.157 0.000 1.098 322 I CB 1.904 39.662 38.000 -0.404 0.000 1.266 322 I HN 0.420 nan 8.210 nan 0.000 0.434 323 K N 6.107 126.512 120.400 0.007 0.000 2.292 323 K HA 0.398 4.777 4.320 0.098 0.000 0.270 323 K C -0.720 175.943 176.600 0.104 0.000 1.062 323 K CA -0.641 55.671 56.287 0.042 0.000 0.916 323 K CB 1.743 34.275 32.500 0.053 0.000 1.166 323 K HN 0.291 nan 8.250 nan 0.000 0.458 324 V N 3.088 123.057 119.914 0.092 0.000 2.540 324 V HA -0.102 4.077 4.120 0.098 0.000 0.297 324 V C 0.569 176.719 176.094 0.093 0.000 1.024 324 V CA 0.090 62.470 62.300 0.135 0.000 1.105 324 V CB 0.245 32.128 31.823 0.101 0.000 0.938 324 V HN 0.719 nan 8.190 nan 0.000 0.482 325 D N 4.007 124.455 120.400 0.080 0.000 2.400 325 D HA 0.284 4.983 4.640 0.098 0.000 0.238 325 D C 1.132 177.447 176.300 0.024 0.000 1.157 325 D CA 0.522 54.541 54.000 0.030 0.000 0.889 325 D CB 1.303 42.094 40.800 -0.015 0.000 1.199 325 D HN 0.622 nan 8.370 nan 0.000 0.436 326 A N 2.694 125.519 122.820 0.008 0.000 2.024 326 A HA -0.191 4.188 4.320 0.098 0.000 0.220 326 A C 1.883 179.470 177.584 0.007 0.000 1.164 326 A CA 1.712 53.753 52.037 0.006 0.000 0.643 326 A CB -0.640 18.347 19.000 -0.022 0.000 0.806 326 A HN 0.721 nan 8.150 nan 0.000 0.451 327 E N 0.369 120.565 120.200 -0.006 0.000 2.150 327 E HA -0.105 4.304 4.350 0.098 0.000 0.193 327 E C 1.609 178.207 176.600 -0.003 0.000 0.985 327 E CA 1.141 57.535 56.400 -0.010 0.000 0.814 327 E CB -0.468 29.218 29.700 -0.024 0.000 0.752 327 E HN 0.611 nan 8.360 nan 0.000 0.466 328 L N -0.607 120.619 121.223 0.005 0.000 2.395 328 L HA -0.024 4.375 4.340 0.098 0.000 0.218 328 L C 2.013 178.904 176.870 0.035 0.000 1.130 328 L CA 0.214 55.062 54.840 0.014 0.000 0.826 328 L CB 0.071 42.145 42.059 0.026 0.000 0.941 328 L HN 0.069 nan 8.230 nan 0.000 0.451 329 V N -1.852 118.092 119.914 0.051 0.000 2.575 329 V HA 0.045 4.224 4.120 0.098 0.000 0.242 329 V C 1.219 177.360 176.094 0.079 0.000 1.045 329 V CA 0.161 62.512 62.300 0.085 0.000 1.065 329 V CB -0.275 31.612 31.823 0.107 0.000 0.717 329 V HN 0.263 nan 8.190 nan 0.000 0.467 330 R N 1.967 122.497 120.500 0.050 0.000 2.501 330 R HA -0.042 4.357 4.340 0.098 0.000 0.319 330 R C 0.146 176.466 176.300 0.033 0.000 0.913 330 R CA 0.573 56.701 56.100 0.047 0.000 1.104 330 R CB -1.040 29.272 30.300 0.019 0.000 0.901 330 R HN 0.481 nan 8.270 nan 0.000 0.407 331 D N 1.360 121.812 120.400 0.087 0.000 2.870 331 D HA -0.250 4.449 4.640 0.098 0.000 0.228 331 D C 0.918 177.111 176.300 -0.179 0.000 1.147 331 D CA 0.722 54.675 54.000 -0.078 0.000 0.757 331 D CB -1.198 39.510 40.800 -0.153 0.000 1.091 331 D HN 0.650 nan 8.370 nan 0.000 0.429 332 I N 0.619 121.185 120.570 -0.005 0.000 2.916 332 I HA -0.229 4.000 4.170 0.098 0.000 0.267 332 I C 2.192 178.141 176.117 -0.281 0.000 1.263 332 I CA 1.003 62.255 61.300 -0.081 0.000 1.471 332 I CB 0.047 38.072 38.000 0.042 0.000 1.089 332 I HN 0.278 nan 8.210 nan 0.000 0.468 333 H N 0.971 119.767 119.070 -0.457 0.000 2.529 333 H HA -0.034 4.581 4.556 0.098 0.000 0.277 333 H C 1.719 176.508 175.328 -0.898 0.000 0.999 333 H CA 1.249 56.665 56.048 -1.054 0.000 1.256 333 H CB -0.458 28.939 29.762 -0.608 0.000 1.402 333 H HN 0.586 nan 8.280 nan 0.000 0.566 334 I N -2.039 118.030 120.570 -0.836 0.000 4.154 334 I HA 0.337 4.566 4.170 0.098 0.000 0.334 334 I C 0.181 176.086 176.117 -0.354 0.000 1.371 334 I CA -0.433 60.534 61.300 -0.554 0.000 1.110 334 I CB 0.784 38.480 38.000 -0.508 0.000 1.085 334 I HN 0.006 nan 8.210 nan 0.000 0.398 335 S N 1.261 116.751 115.700 -0.349 0.000 2.474 335 S HA 0.601 5.130 4.470 0.098 0.000 0.321 335 S C 1.103 175.575 174.600 -0.213 0.000 1.080 335 S CA -0.141 57.927 58.200 -0.220 0.000 1.106 335 S CB 1.387 64.485 63.200 -0.170 0.000 0.984 335 S HN 0.420 nan 8.310 nan 0.000 0.464 336 G N 3.223 111.927 108.800 -0.160 0.000 2.403 336 G HA2 -0.116 3.903 3.960 0.098 0.000 0.216 336 G HA3 -0.116 3.903 3.960 0.098 0.000 0.216 336 G C 1.278 176.096 174.900 -0.137 0.000 1.154 336 G CA 1.244 46.256 45.100 -0.148 0.000 0.784 336 G HN 0.689 nan 8.290 nan 0.000 0.538 337 T N 1.098 115.597 114.554 -0.093 0.000 2.597 337 T HA -0.173 4.236 4.350 0.098 0.000 0.267 337 T C 2.342 176.998 174.700 -0.074 0.000 1.053 337 T CA 1.779 63.839 62.100 -0.066 0.000 1.165 337 T CB -0.213 68.625 68.868 -0.050 0.000 0.863 337 T HN 0.333 nan 8.240 nan 0.000 0.427 338 K N 0.638 120.987 120.400 -0.086 0.000 2.097 338 K HA -0.063 4.316 4.320 0.098 0.000 0.205 338 K C 2.694 179.251 176.600 -0.072 0.000 1.050 338 K CA 1.087 57.335 56.287 -0.065 0.000 0.938 338 K CB -0.170 32.292 32.500 -0.063 0.000 0.718 338 K HN 0.417 nan 8.250 nan 0.000 0.442 339 Q N 0.389 120.107 119.800 -0.138 0.000 2.030 339 Q HA -0.188 4.211 4.340 0.098 0.000 0.204 339 Q C 2.237 178.101 176.000 -0.228 0.000 0.986 339 Q CA 1.804 57.495 55.803 -0.187 0.000 0.843 339 Q CB -0.246 28.295 28.738 -0.329 0.000 0.904 339 Q HN 0.366 nan 8.270 nan 0.000 0.420 340 A N 0.710 123.377 122.820 -0.255 0.000 1.858 340 A HA -0.203 4.175 4.320 0.098 0.000 0.216 340 A C 2.047 179.635 177.584 0.008 0.000 1.190 340 A CA 1.405 53.369 52.037 -0.121 0.000 0.617 340 A CB -0.754 18.213 19.000 -0.054 0.000 0.827 340 A HN 0.327 nan 8.150 nan 0.000 0.443 341 I N -0.597 119.974 120.570 0.001 0.000 2.127 341 I HA -0.238 3.991 4.170 0.098 0.000 0.241 341 I C 2.405 178.560 176.117 0.064 0.000 1.075 341 I CA 1.367 62.688 61.300 0.036 0.000 1.334 341 I CB -0.474 37.538 38.000 0.020 0.000 1.040 341 I HN 0.160 nan 8.210 nan 0.000 0.405 342 V N 1.078 121.023 119.914 0.052 0.000 2.287 342 V HA -0.349 3.830 4.120 0.098 0.000 0.248 342 V C 2.691 178.838 176.094 0.088 0.000 1.053 342 V CA 2.164 64.510 62.300 0.076 0.000 1.027 342 V CB -1.044 30.822 31.823 0.071 0.000 0.646 342 V HN 0.542 nan 8.190 nan 0.000 0.447 343 A N -1.102 121.779 122.820 0.103 0.000 2.019 343 A HA -0.196 4.182 4.320 0.098 0.000 0.219 343 A C 2.445 180.104 177.584 0.125 0.000 1.164 343 A CA 2.156 54.284 52.037 0.152 0.000 0.644 343 A CB -0.513 18.663 19.000 0.293 0.000 0.805 343 A HN 0.503 nan 8.150 nan 0.000 0.449 344 S N -0.819 114.949 115.700 0.113 0.000 2.436 344 S HA -0.036 4.493 4.470 0.098 0.000 0.228 344 S C 1.815 176.463 174.600 0.080 0.000 1.014 344 S CA 1.050 59.306 58.200 0.094 0.000 0.950 344 S CB -0.157 63.099 63.200 0.093 0.000 0.784 344 S HN 0.367 nan 8.310 nan 0.000 0.504 345 V N 1.314 121.284 119.914 0.093 0.000 2.358 345 V HA -0.111 4.068 4.120 0.098 0.000 0.246 345 V C 2.277 178.378 176.094 0.012 0.000 1.047 345 V CA 1.246 63.590 62.300 0.075 0.000 1.035 345 V CB -0.796 31.108 31.823 0.135 0.000 0.658 345 V HN 0.309 nan 8.190 nan 0.000 0.452 346 V N 0.111 120.040 119.914 0.025 0.000 2.231 346 V HA -0.319 3.860 4.120 0.098 0.000 0.248 346 V C 2.638 178.731 176.094 -0.001 0.000 1.054 346 V CA 2.534 64.836 62.300 0.003 0.000 1.015 346 V CB -0.756 31.081 31.823 0.024 0.000 0.638 346 V HN 0.412 nan 8.190 nan 0.000 0.444 347 R N -0.553 119.959 120.500 0.020 0.000 2.096 347 R HA -0.132 4.267 4.340 0.098 0.000 0.235 347 R C 2.300 178.600 176.300 0.001 0.000 1.127 347 R CA 1.869 57.977 56.100 0.014 0.000 0.968 347 R CB -1.380 28.938 30.300 0.029 0.000 0.861 347 R HN 0.656 nan 8.270 nan 0.000 0.440 348 C N -1.002 118.299 119.300 0.002 0.000 2.446 348 C HA -0.094 4.425 4.460 0.098 0.000 0.277 348 C C 2.658 177.626 174.990 -0.037 0.000 1.275 348 C CA 0.943 59.954 59.018 -0.012 0.000 1.727 348 C CB -1.146 26.592 27.740 -0.003 0.000 2.010 348 C HN 0.685 nan 8.230 nan 0.000 0.486 349 C N 0.240 119.507 119.300 -0.055 0.000 2.446 349 C HA -0.047 4.472 4.460 0.098 0.000 0.279 349 C C 2.540 177.498 174.990 -0.054 0.000 1.366 349 C CA 1.389 60.361 59.018 -0.077 0.000 1.763 349 C CB -1.572 26.105 27.740 -0.106 0.000 1.929 349 C HN 0.768 nan 8.230 nan 0.000 0.509 350 E N 1.140 121.317 120.200 -0.038 0.000 2.077 350 E HA -0.202 4.207 4.350 0.098 0.000 0.193 350 E C 1.361 177.946 176.600 -0.025 0.000 0.989 350 E CA 1.405 57.787 56.400 -0.029 0.000 0.800 350 E CB -0.046 29.642 29.700 -0.021 0.000 0.746 350 E HN 0.552 nan 8.360 nan 0.000 0.452 351 D N 0.180 120.567 120.400 -0.022 0.000 2.224 351 D HA -0.093 4.606 4.640 0.098 0.000 0.205 351 D C 1.780 178.067 176.300 -0.022 0.000 0.965 351 D CA 0.714 54.703 54.000 -0.018 0.000 0.852 351 D CB 0.082 40.873 40.800 -0.014 0.000 0.947 351 D HN 0.304 nan 8.370 nan 0.000 0.494 352 L N -0.355 120.849 121.223 -0.030 0.000 2.558 352 L HA 0.181 4.580 4.340 0.098 0.000 0.225 352 L C 1.221 178.072 176.870 -0.031 0.000 1.128 352 L CA 0.234 55.054 54.840 -0.033 0.000 0.868 352 L CB -0.044 41.986 42.059 -0.049 0.000 1.006 352 L HN 0.052 nan 8.230 nan 0.000 0.454 353 G N 1.549 110.331 108.800 -0.031 0.000 2.221 353 G HA2 -0.282 3.736 3.960 0.098 0.000 0.265 353 G HA3 -0.282 3.736 3.960 0.098 0.000 0.265 353 G C 0.053 174.933 174.900 -0.033 0.000 1.041 353 G CA -0.051 45.033 45.100 -0.027 0.000 0.807 353 G HN 0.315 nan 8.290 nan 0.000 0.502 354 I N 1.119 121.659 120.570 -0.050 0.000 2.359 354 I HA 0.251 4.480 4.170 0.098 0.000 0.294 354 I C 0.927 177.004 176.117 -0.068 0.000 0.987 354 I CA -0.667 60.595 61.300 -0.063 0.000 1.225 354 I CB 1.451 39.391 38.000 -0.099 0.000 1.366 354 I HN 0.024 nan 8.210 nan 0.000 0.466 355 T N 5.887 120.407 114.554 -0.057 0.000 2.888 355 T HA 0.207 4.616 4.350 0.098 0.000 0.301 355 T C 0.002 174.650 174.700 -0.085 0.000 1.001 355 T CA -0.275 61.788 62.100 -0.061 0.000 1.147 355 T CB 0.561 69.404 68.868 -0.042 0.000 0.931 355 T HN 0.249 nan 8.240 nan 0.000 0.541 356 V N 4.435 124.290 119.914 -0.098 0.000 2.417 356 V HA 0.475 4.654 4.120 0.098 0.000 0.291 356 V C 0.003 176.013 176.094 -0.140 0.000 1.024 356 V CA -0.828 61.403 62.300 -0.115 0.000 0.861 356 V CB 1.553 33.309 31.823 -0.112 0.000 0.985 356 V HN 0.660 nan 8.190 nan 0.000 0.436 357 V N 3.495 123.340 119.914 -0.114 0.000 2.555 357 V HA 0.797 4.976 4.120 0.098 0.000 0.302 357 V C 0.427 176.467 176.094 -0.089 0.000 1.038 357 V CA -0.594 61.628 62.300 -0.130 0.000 0.887 357 V CB 1.871 33.654 31.823 -0.067 0.000 0.991 357 V HN 1.014 nan 8.190 nan 0.000 0.434 358 A N 3.805 126.552 122.820 -0.123 0.000 2.290 358 A HA 0.701 5.080 4.320 0.098 0.000 0.310 358 A C -0.160 177.489 177.584 0.108 0.000 1.202 358 A CA -0.426 51.625 52.037 0.022 0.000 0.837 358 A CB 0.510 19.562 19.000 0.088 0.000 1.139 358 A HN 0.859 nan 8.150 nan 0.000 0.509 359 E N 0.513 120.772 120.200 0.098 0.000 2.222 359 E HA 0.514 4.923 4.350 0.098 0.000 0.267 359 E C 0.727 177.366 176.600 0.066 0.000 0.963 359 E CA -0.023 56.424 56.400 0.078 0.000 0.837 359 E CB 1.380 31.106 29.700 0.042 0.000 1.183 359 E HN 1.319 nan 8.360 nan 0.000 0.403 360 G N 0.953 109.754 108.800 0.003 0.000 2.225 360 G HA2 -0.253 3.766 3.960 0.098 0.000 0.267 360 G HA3 -0.253 3.766 3.960 0.098 0.000 0.267 360 G C 0.114 175.006 174.900 -0.013 0.000 1.024 360 G CA 0.257 45.306 45.100 -0.084 0.000 0.784 360 G HN 0.311 nan 8.290 nan 0.000 0.507 361 V N -0.042 119.932 119.914 0.099 0.000 2.421 361 V HA 0.243 4.422 4.120 0.098 0.000 0.271 361 V C 1.192 177.292 176.094 0.010 0.000 1.031 361 V CA 1.047 63.434 62.300 0.145 0.000 1.032 361 V CB 1.062 33.117 31.823 0.385 0.000 1.009 361 V HN 0.565 nan 8.190 nan 0.000 0.477 362 E N 1.977 122.167 120.200 -0.016 0.000 2.453 362 E HA 0.095 4.504 4.350 0.098 0.000 0.211 362 E C 0.646 177.200 176.600 -0.076 0.000 0.897 362 E CA 0.366 56.745 56.400 -0.034 0.000 1.063 362 E CB 1.100 30.806 29.700 0.010 0.000 1.080 362 E HN 0.839 nan 8.360 nan 0.000 0.512 363 T N -2.699 111.811 114.554 -0.072 0.000 2.907 363 T HA 0.370 4.779 4.350 0.098 0.000 0.292 363 T C 0.953 175.612 174.700 -0.068 0.000 1.043 363 T CA -0.734 61.318 62.100 -0.081 0.000 1.003 363 T CB 1.584 70.406 68.868 -0.077 0.000 1.084 363 T HN -0.102 nan 8.240 nan 0.000 0.483 364 L N 0.545 121.737 121.223 -0.051 0.000 2.043 364 L HA -0.143 4.256 4.340 0.098 0.000 0.212 364 L C 2.708 179.639 176.870 0.102 0.000 1.075 364 L CA 1.698 56.566 54.840 0.046 0.000 0.752 364 L CB -0.510 41.595 42.059 0.077 0.000 0.891 364 L HN 0.767 nan 8.230 nan 0.000 0.432 365 E N 0.083 120.284 120.200 0.003 0.000 2.070 365 E HA -0.258 4.151 4.350 0.098 0.000 0.197 365 E C 2.034 178.672 176.600 0.063 0.000 1.004 365 E CA 1.448 57.827 56.400 -0.035 0.000 0.805 365 E CB -0.135 29.294 29.700 -0.452 0.000 0.744 365 E HN 0.458 nan 8.360 nan 0.000 0.451 366 E N -0.695 119.506 120.200 0.000 0.000 2.051 366 E HA -0.197 4.212 4.350 0.098 0.000 0.192 366 E C 1.763 178.492 176.600 0.215 0.000 0.991 366 E CA 1.127 57.610 56.400 0.138 0.000 0.799 366 E CB -0.299 29.472 29.700 0.117 0.000 0.748 366 E HN 0.364 nan 8.360 nan 0.000 0.449 367 W N 0.936 122.214 121.300 -0.036 0.000 2.338 367 W HA -0.267 4.452 4.660 0.097 0.000 0.304 367 W C 2.072 178.518 176.519 -0.121 0.000 1.212 367 W CA 1.215 58.462 57.345 -0.164 0.000 1.264 367 W CB -0.596 28.671 29.460 -0.321 0.000 1.142 367 W HN 0.076 nan 8.180 nan 0.000 0.512 368 C N -0.731 118.433 119.300 -0.226 0.000 2.432 368 C HA -0.205 4.314 4.460 0.098 0.000 0.277 368 C C 2.329 177.122 174.990 -0.328 0.000 1.249 368 C CA 1.193 59.925 59.018 -0.477 0.000 1.725 368 C CB -1.855 25.762 27.740 -0.205 0.000 2.028 368 C HN 0.533 nan 8.230 nan 0.000 0.477 369 W N 0.754 121.988 121.300 -0.109 0.000 2.402 369 W HA 0.055 4.773 4.660 0.097 0.000 0.286 369 W C 2.335 178.852 176.519 -0.002 0.000 1.221 369 W CA 0.593 57.928 57.345 -0.016 0.000 1.257 369 W CB -0.595 28.902 29.460 0.061 0.000 1.120 369 W HN 0.248 nan 8.180 nan 0.000 0.551 370 L N -0.389 120.965 121.223 0.219 0.000 2.093 370 L HA -0.210 4.189 4.340 0.098 0.000 0.208 370 L C 2.511 179.470 176.870 0.148 0.000 1.085 370 L CA 1.277 56.259 54.840 0.235 0.000 0.755 370 L CB -0.723 41.600 42.059 0.441 0.000 0.904 370 L HN -0.036 nan 8.230 nan 0.000 0.435 371 Q N -0.010 119.745 119.800 -0.075 0.000 2.167 371 Q HA -0.176 4.223 4.340 0.098 0.000 0.202 371 Q C 2.309 178.229 176.000 -0.133 0.000 0.970 371 Q CA 1.868 57.559 55.803 -0.185 0.000 0.855 371 Q CB -0.025 28.258 28.738 -0.758 0.000 0.911 371 Q HN 0.519 nan 8.270 nan 0.000 0.438 372 S N -1.198 114.417 115.700 -0.141 0.000 2.461 372 S HA -0.073 4.456 4.470 0.098 0.000 0.228 372 S C 1.674 176.292 174.600 0.031 0.000 1.005 372 S CA 0.741 58.882 58.200 -0.098 0.000 0.942 372 S CB -0.305 62.773 63.200 -0.202 0.000 0.776 372 S HN 0.362 nan 8.310 nan 0.000 0.514 373 V N -2.199 117.777 119.914 0.105 0.000 3.649 373 V HA 0.648 4.827 4.120 0.098 0.000 0.275 373 V C 1.377 177.526 176.094 0.092 0.000 1.281 373 V CA 0.258 62.657 62.300 0.164 0.000 1.143 373 V CB -0.847 31.110 31.823 0.224 0.000 0.892 373 V HN 0.828 nan 8.190 nan 0.000 0.441 374 G N 0.477 109.305 108.800 0.047 0.000 2.141 374 G HA2 -0.149 3.870 3.960 0.098 0.000 0.164 374 G HA3 -0.149 3.870 3.960 0.098 0.000 0.164 374 G C -0.222 174.673 174.900 -0.009 0.000 1.009 374 G CA -0.016 45.094 45.100 0.017 0.000 0.677 374 G HN 0.523 nan 8.290 nan 0.000 0.508 375 I N 0.327 120.888 120.570 -0.015 0.000 2.396 375 I HA 0.429 4.658 4.170 0.098 0.000 0.292 375 I C 1.371 177.365 176.117 -0.205 0.000 0.999 375 I CA -0.940 60.264 61.300 -0.159 0.000 1.310 375 I CB 1.271 39.122 38.000 -0.248 0.000 1.404 375 I HN -0.023 nan 8.210 nan 0.000 0.496 376 R N 4.858 125.192 120.500 -0.278 0.000 2.287 376 R HA 0.380 4.779 4.340 0.098 0.000 0.197 376 R C -0.177 175.999 176.300 -0.206 0.000 0.900 376 R CA 0.281 56.332 56.100 -0.081 0.000 1.052 376 R CB 0.241 30.538 30.300 -0.005 0.000 1.117 376 R HN 0.466 nan 8.270 nan 0.000 0.568 377 L N 1.705 122.654 121.223 -0.456 0.000 2.282 377 L HA 0.464 4.863 4.340 0.098 0.000 0.288 377 L C -0.866 175.657 176.870 -0.578 0.000 1.033 377 L CA -0.413 54.227 54.840 -0.335 0.000 0.807 377 L CB 0.791 42.739 42.059 -0.184 0.000 1.209 377 L HN -0.197 nan 8.230 nan 0.000 0.423 378 F N 1.532 121.421 119.950 -0.101 0.000 2.551 378 F HA 0.488 5.076 4.527 0.102 0.000 0.316 378 F C 0.018 175.747 175.800 -0.119 0.000 1.089 378 F CA -0.598 57.343 58.000 -0.097 0.000 0.915 378 F CB 2.107 40.975 39.000 -0.220 0.000 1.186 378 F HN 0.377 nan 8.300 nan 0.000 0.456 379 Q N 1.946 121.877 119.800 0.219 0.000 2.292 379 Q HA 0.731 5.130 4.340 0.098 0.000 0.270 379 Q C -0.918 175.231 176.000 0.248 0.000 1.024 379 Q CA -0.575 55.335 55.803 0.178 0.000 0.768 379 Q CB 2.304 31.095 28.738 0.090 0.000 1.250 379 Q HN 0.994 nan 8.270 nan 0.000 0.447 380 G N 1.418 110.394 108.800 0.293 0.000 2.368 380 G HA2 0.202 4.221 3.960 0.098 0.000 0.293 380 G HA3 0.202 4.221 3.960 0.098 0.000 0.293 380 G C -0.704 174.333 174.900 0.228 0.000 1.467 380 G CA -0.695 44.501 45.100 0.160 0.000 0.804 380 G HN 0.440 nan 8.290 nan 0.000 0.535 381 F N -0.034 119.935 119.950 0.032 0.000 2.333 381 F HA 0.037 4.623 4.527 0.099 0.000 0.300 381 F C 2.590 178.323 175.800 -0.113 0.000 1.083 381 F CA 0.754 58.740 58.000 -0.023 0.000 1.395 381 F CB -0.569 38.417 39.000 -0.022 0.000 1.056 381 F HN 0.315 nan 8.300 nan 0.000 0.529 382 L N -0.760 120.435 121.223 -0.046 0.000 2.042 382 L HA -0.217 4.182 4.340 0.098 0.000 0.210 382 L C 2.014 178.593 176.870 -0.485 0.000 1.076 382 L CA 2.027 56.645 54.840 -0.370 0.000 0.749 382 L CB -0.770 40.874 42.059 -0.692 0.000 0.893 382 L HN -0.010 nan 8.230 nan 0.000 0.432 383 F N -1.880 118.004 119.950 -0.110 0.000 2.220 383 F HA 0.240 4.827 4.527 0.099 0.000 0.290 383 F C 1.248 176.922 175.800 -0.210 0.000 1.080 383 F CA 0.604 58.462 58.000 -0.237 0.000 1.318 383 F CB -0.458 38.388 39.000 -0.257 0.000 1.063 383 F HN 0.063 nan 8.300 nan 0.000 0.498 384 S N -0.299 115.470 115.700 0.115 0.000 2.592 384 S HA 0.491 5.020 4.470 0.098 0.000 0.275 384 S C -0.955 173.742 174.600 0.163 0.000 1.169 384 S CA -0.823 57.420 58.200 0.073 0.000 0.958 384 S CB 0.911 64.135 63.200 0.040 0.000 1.095 384 S HN 0.081 nan 8.310 nan 0.000 0.471 385 R N 2.912 123.466 120.500 0.089 0.000 2.486 385 R HA 0.483 4.882 4.340 0.098 0.000 0.286 385 R C -2.594 173.766 176.300 0.099 0.000 0.999 385 R CA -2.161 53.983 56.100 0.075 0.000 0.993 385 R CB 0.559 30.764 30.300 -0.160 0.000 1.084 385 R HN 0.405 nan 8.270 nan 0.000 0.487 386 P HA -0.122 nan 4.420 nan 0.000 0.261 386 P C -0.751 176.591 177.300 0.069 0.000 1.173 386 P CA 0.140 63.319 63.100 0.132 0.000 0.760 386 P CB 0.361 32.151 31.700 0.150 0.000 0.783 387 C N 6.376 125.721 119.300 0.076 0.000 2.344 387 C HA 0.417 4.936 4.460 0.098 0.000 0.326 387 C C -0.253 174.764 174.990 0.045 0.000 1.201 387 C CA -1.116 57.929 59.018 0.044 0.000 1.410 387 C CB -0.664 27.099 27.740 0.037 0.000 2.070 387 C HN 0.520 nan 8.230 nan 0.000 0.445 388 L N 7.730 128.975 121.223 0.037 0.000 2.654 388 L HA 0.225 4.623 4.340 0.098 0.000 0.271 388 L C 0.987 177.879 176.870 0.037 0.000 1.169 388 L CA 1.216 56.081 54.840 0.042 0.000 0.947 388 L CB -0.504 41.577 42.059 0.036 0.000 1.232 388 L HN 0.878 nan 8.230 nan 0.000 0.486 389 N N 3.178 121.906 118.700 0.047 0.000 2.725 389 N HA -0.178 4.620 4.740 0.098 0.000 0.249 389 N C 0.096 175.604 175.510 -0.003 0.000 1.103 389 N CA 1.049 54.117 53.050 0.030 0.000 0.707 389 N CB -1.304 37.195 38.487 0.020 0.000 1.043 389 N HN 0.939 nan 8.380 nan 0.000 0.553 390 G N -0.870 107.918 108.800 -0.020 0.000 2.506 390 G HA2 0.538 4.557 3.960 0.098 0.000 0.292 390 G HA3 0.538 4.557 3.960 0.098 0.000 0.292 390 G C -0.957 173.894 174.900 -0.083 0.000 1.425 390 G CA -0.917 44.149 45.100 -0.057 0.000 0.788 390 G HN 0.098 nan 8.290 nan 0.000 0.490 391 I N 1.762 122.263 120.570 -0.115 0.000 2.352 391 I HA 0.415 4.644 4.170 0.098 0.000 0.290 391 I C 1.372 177.500 176.117 0.017 0.000 1.036 391 I CA -0.171 61.080 61.300 -0.081 0.000 1.336 391 I CB 1.032 38.964 38.000 -0.113 0.000 1.407 391 I HN 0.571 nan 8.210 nan 0.000 0.497 392 G N 4.798 113.636 108.800 0.063 0.000 2.621 392 G HA2 0.255 4.274 3.960 0.098 0.000 0.271 392 G HA3 0.255 4.274 3.960 0.098 0.000 0.271 392 G C -0.281 174.642 174.900 0.037 0.000 1.236 392 G CA -0.501 44.624 45.100 0.043 0.000 0.958 392 G HN 0.755 nan 8.290 nan 0.000 0.512 393 E N -1.380 118.823 120.200 0.005 0.000 2.366 393 E HA 0.391 4.800 4.350 0.098 0.000 0.266 393 E C -0.701 175.860 176.600 -0.066 0.000 1.051 393 E CA -0.429 55.961 56.400 -0.016 0.000 0.884 393 E CB 0.905 30.592 29.700 -0.022 0.000 1.006 393 E HN 0.255 nan 8.360 nan 0.000 0.417 394 I N 3.121 123.615 120.570 -0.128 0.000 2.433 394 I HA 0.270 4.499 4.170 0.098 0.000 0.292 394 I C -0.825 175.015 176.117 -0.461 0.000 1.001 394 I CA -0.959 60.143 61.300 -0.330 0.000 1.119 394 I CB 1.638 39.360 38.000 -0.463 0.000 1.289 394 I HN 0.644 nan 8.210 nan 0.000 0.438 395 C N 4.691 123.717 119.300 -0.456 0.000 2.329 395 C HA 0.483 5.002 4.460 0.098 0.000 0.329 395 C C -0.592 174.148 174.990 -0.416 0.000 1.275 395 C CA -0.763 58.045 59.018 -0.349 0.000 1.726 395 C CB -0.035 27.583 27.740 -0.204 0.000 2.291 395 C HN 0.695 nan 8.230 nan 0.000 0.514 396 W N 2.646 123.953 121.300 0.011 0.000 2.606 396 W HA 0.452 5.170 4.660 0.097 0.000 0.332 396 W C -2.363 174.110 176.519 -0.077 0.000 1.052 396 W CA -2.497 54.842 57.345 -0.010 0.000 1.223 396 W CB 0.650 30.117 29.460 0.011 0.000 1.383 396 W HN 0.399 nan 8.180 nan 0.000 0.524 397 P HA 0.117 nan 4.420 nan 0.000 0.276 397 P C -0.739 176.776 177.300 0.358 0.000 1.253 397 P CA 0.012 63.081 63.100 -0.051 0.000 0.766 397 P CB 0.689 31.829 31.700 -0.932 0.000 0.845 398 V N 3.381 123.543 119.914 0.413 0.000 2.459 398 V HA 0.617 4.796 4.120 0.098 0.000 0.295 398 V C 0.585 176.754 176.094 0.126 0.000 1.029 398 V CA -1.010 61.475 62.300 0.308 0.000 0.874 398 V CB 1.499 33.414 31.823 0.153 0.000 0.985 398 V HN 0.607 nan 8.190 nan 0.000 0.438 399 A N 5.365 128.038 122.820 -0.246 0.000 2.366 399 A HA 0.750 5.129 4.320 0.098 0.000 0.249 399 A C 0.199 177.526 177.584 -0.429 0.000 1.084 399 A CA -0.023 51.507 52.037 -0.844 0.000 0.794 399 A CB 0.466 18.957 19.000 -0.848 0.000 1.034 399 A HN 0.892 nan 8.150 nan 0.000 0.491 400 R N 0.000 120.220 120.500 -0.466 0.000 2.786 400 R HA 0.000 4.399 4.340 0.098 0.000 0.208 400 R CA 0.000 55.958 56.100 -0.237 0.000 0.921 400 R CB 0.000 30.205 30.300 -0.158 0.000 0.687 400 R HN 0.000 nan 8.270 nan 0.000 0.535